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 1aql_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKLGSVYTEG GFVEGVNKKL SLFGDSIDIF KGIPFAAAPK ALEKPERHPG DATA SEQUENCE WQGTLKAKSF KKRcLQATLT QDSTYGNEDc LYLNIWVPQG RKEVSHDLPV DATA SEQUENCE MIWIYGGAFL MGASQGANFL SNYLYDGEEI ATRGNVIVVT FNYRVGPLGF DATA SEQUENCE LSTGDSNLPG NYGLWDQHMA IAWVKRNIEA FGGDPDNITL FGESAGGASV DATA SEQUENCE SLQTLSPYNK GLIKRAISQS GVGLCPWAIQ QDPLFWAKRI AEKVGcPVDD DATA SEQUENCE TSKMAGcLKI TDPRALTLAY KLPLGSTEYP KLHYLSFVPV IDGDFIPDDP DATA SEQUENCE VNLYANAADV DYIAGTNDMD GHLFVGMDVP AINSNKQDVT EEDFYKLVSG DATA SEQUENCE LTVTKGLRGA NATYEVYTEP WAQDSSQETR KKTMVDLETD ILFLIPTKIA DATA SEQUENCE VAQHKSHAKS ANTYTYLFSQ PSRMPIYPKW MGADHADDLQ YVFGKPFATP DATA SEQUENCE LGYRAQDRTV SKAMIAYWTN FARTGDPNTG HSTVPANWDP YTLEDDNYLE DATA SEQUENCE INKQMDSNSM KLHLRTNYLQ FWTQTYQALP TV 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.605 177.584 0.035 0.000 1.274 1 A CA 0.000 52.058 52.037 0.035 0.000 0.836 1 A CB 0.000 19.031 19.000 0.052 0.000 0.831 2 K N 2.471 122.896 120.400 0.042 0.000 2.640 2 K HA 0.344 4.664 4.320 0.000 0.000 0.245 2 K C 0.085 176.730 176.600 0.074 0.000 0.962 2 K CA -0.689 55.625 56.287 0.044 0.000 0.896 2 K CB 1.926 34.442 32.500 0.027 0.000 1.147 2 K HN 0.516 nan 8.250 nan 0.000 0.445 3 L N 2.899 124.193 121.223 0.118 0.000 2.275 3 L HA -0.092 4.248 4.340 0.000 0.000 0.215 3 L C 1.257 178.220 176.870 0.155 0.000 1.119 3 L CA 2.239 57.173 54.840 0.157 0.000 0.790 3 L CB -0.537 41.678 42.059 0.260 0.000 0.919 3 L HN 1.080 nan 8.230 nan 0.000 0.443 4 G N -1.221 107.669 108.800 0.150 0.000 2.686 4 G HA2 -0.376 3.584 3.960 0.000 0.000 0.329 4 G HA3 -0.376 3.584 3.960 0.000 0.000 0.329 4 G C 0.348 175.371 174.900 0.204 0.000 1.187 4 G CA 0.390 45.570 45.100 0.133 0.000 0.965 4 G HN 0.445 nan 8.290 nan 0.000 0.549 5 S N 0.298 116.092 115.700 0.157 0.000 2.462 5 S HA 0.615 5.085 4.470 0.000 0.000 0.294 5 S C 0.127 174.867 174.600 0.234 0.000 1.144 5 S CA -0.171 58.157 58.200 0.212 0.000 1.088 5 S CB 1.869 65.154 63.200 0.140 0.000 1.009 5 S HN 1.073 nan 8.310 nan 0.000 0.484 6 V N 3.024 123.014 119.914 0.127 0.000 2.547 6 V HA 0.396 4.516 4.120 0.000 0.000 0.299 6 V C -0.959 175.119 176.094 -0.027 0.000 1.040 6 V CA -0.936 61.276 62.300 -0.147 0.000 0.913 6 V CB 0.985 32.249 31.823 -0.932 0.000 0.992 6 V HN 0.810 nan 8.190 nan 0.000 0.449 7 Y N 4.191 124.258 120.300 -0.387 0.000 2.700 7 Y HA 0.463 5.013 4.550 -0.000 0.000 0.333 7 Y C 0.886 176.521 175.900 -0.443 0.000 1.036 7 Y CA -1.015 56.642 58.100 -0.738 0.000 1.287 7 Y CB 0.300 38.181 38.460 -0.966 0.000 1.132 7 Y HN 0.977 nan 8.280 nan 0.000 0.510 8 T N 0.255 114.585 114.554 -0.374 0.000 2.729 8 T HA 0.124 4.474 4.350 0.000 0.000 0.298 8 T C 1.115 175.420 174.700 -0.658 0.000 1.013 8 T CA 0.109 62.018 62.100 -0.319 0.000 0.957 8 T CB 0.687 69.679 68.868 0.206 0.000 1.130 8 T HN 0.688 nan 8.240 nan 0.000 0.526 9 E N -0.560 119.361 120.200 -0.465 0.000 2.358 9 E HA 0.115 4.466 4.350 0.000 0.000 0.195 9 E C 1.879 178.253 176.600 -0.377 0.000 1.010 9 E CA 0.590 56.722 56.400 -0.447 0.000 0.856 9 E CB -0.585 28.930 29.700 -0.308 0.000 0.795 9 E HN 0.774 nan 8.360 nan 0.000 0.504 10 G N 0.498 109.076 108.800 -0.370 0.000 2.744 10 G HA2 0.427 4.388 3.960 0.000 0.000 0.211 10 G HA3 0.427 4.388 3.960 0.000 0.000 0.211 10 G C 0.559 174.606 174.900 -1.421 0.000 1.146 10 G CA 0.176 44.866 45.100 -0.684 0.000 0.787 10 G HN 0.589 nan 8.290 nan 0.000 0.534 11 G N -1.261 106.911 108.800 -1.047 0.000 2.369 11 G HA2 0.251 4.211 3.960 0.000 0.000 0.295 11 G HA3 0.251 4.211 3.960 0.000 0.000 0.295 11 G C -1.230 173.623 174.900 -0.077 0.000 1.298 11 G CA -1.210 43.482 45.100 -0.680 0.000 0.940 11 G HN 0.076 nan 8.290 nan 0.000 0.536 12 F N 0.105 120.212 119.950 0.262 0.000 2.443 12 F HA 0.525 5.052 4.527 -0.000 0.000 0.353 12 F C 1.018 177.125 175.800 0.512 0.000 1.101 12 F CA 0.018 58.226 58.000 0.347 0.000 1.226 12 F CB 1.581 40.676 39.000 0.157 0.000 1.140 12 F HN 0.254 nan 8.300 nan 0.000 0.557 13 V N 2.598 122.820 119.914 0.514 0.000 2.769 13 V HA 0.464 4.584 4.120 0.000 0.000 0.312 13 V C -0.580 175.684 176.094 0.284 0.000 1.061 13 V CA -1.005 61.520 62.300 0.375 0.000 0.931 13 V CB 1.885 33.886 31.823 0.297 0.000 1.010 13 V HN 0.724 nan 8.190 nan 0.000 0.433 14 E N 1.772 122.144 120.200 0.287 0.000 2.260 14 E HA 0.660 5.010 4.350 0.000 0.000 0.266 14 E C -0.664 176.133 176.600 0.329 0.000 0.887 14 E CA -0.356 56.237 56.400 0.323 0.000 0.777 14 E CB 2.090 31.910 29.700 0.199 0.000 1.205 14 E HN 0.918 nan 8.360 nan 0.000 0.414 15 G N 1.932 110.993 108.800 0.435 0.000 2.630 15 G HA2 0.533 4.494 3.960 0.000 0.000 0.296 15 G HA3 0.533 4.494 3.960 0.000 0.000 0.296 15 G C 0.152 174.949 174.900 -0.172 0.000 1.285 15 G CA -0.261 44.878 45.100 0.064 0.000 0.958 15 G HN 0.506 nan 8.290 nan 0.000 0.479 16 V N -0.730 119.042 119.914 -0.237 0.000 3.923 16 V HA 0.442 4.562 4.120 0.000 0.000 0.292 16 V C 0.087 176.026 176.094 -0.259 0.000 1.070 16 V CA -0.383 61.792 62.300 -0.207 0.000 1.103 16 V CB 1.162 32.871 31.823 -0.191 0.000 1.175 16 V HN 0.865 nan 8.190 nan 0.000 0.471 17 N N 0.367 118.967 118.700 -0.166 0.000 2.406 17 N HA 0.360 5.100 4.740 0.000 0.000 0.283 17 N C -1.644 173.812 175.510 -0.089 0.000 1.074 17 N CA -0.604 52.367 53.050 -0.131 0.000 0.916 17 N CB 2.300 40.739 38.487 -0.079 0.000 1.639 17 N HN 0.944 nan 8.380 nan 0.000 0.485 18 K N 1.932 122.290 120.400 -0.070 0.000 2.270 18 K HA 0.249 4.570 4.320 0.000 0.000 0.255 18 K C -0.424 176.159 176.600 -0.029 0.000 0.936 18 K CA -0.707 55.555 56.287 -0.042 0.000 0.809 18 K CB 1.534 34.019 32.500 -0.026 0.000 1.131 18 K HN 0.429 nan 8.250 nan 0.000 0.427 19 K N 5.348 125.732 120.400 -0.026 0.000 2.383 19 K HA 0.081 4.401 4.320 0.000 0.000 0.286 19 K C -0.077 176.507 176.600 -0.026 0.000 1.051 19 K CA 0.090 56.360 56.287 -0.028 0.000 0.974 19 K CB 0.480 32.968 32.500 -0.020 0.000 0.968 19 K HN 0.605 nan 8.250 nan 0.000 0.475 20 L N 2.340 123.535 121.223 -0.047 0.000 2.738 20 L HA 0.081 4.421 4.340 0.000 0.000 0.178 20 L C 1.069 177.899 176.870 -0.067 0.000 1.281 20 L CA -0.036 54.775 54.840 -0.049 0.000 0.864 20 L CB -0.319 41.702 42.059 -0.064 0.000 1.224 20 L HN 0.707 nan 8.230 nan 0.000 0.520 21 S N -0.913 114.700 115.700 -0.145 0.000 2.738 21 S HA 0.288 4.758 4.470 0.000 0.000 0.284 21 S C 0.669 175.214 174.600 -0.093 0.000 1.146 21 S CA -0.664 57.441 58.200 -0.159 0.000 0.997 21 S CB 1.183 64.082 63.200 -0.502 0.000 1.081 21 S HN 0.076 nan 8.310 nan 0.000 0.553 22 L N -0.048 121.197 121.223 0.038 0.000 2.354 22 L HA 0.246 4.586 4.340 0.000 0.000 0.212 22 L C 1.284 178.240 176.870 0.143 0.000 1.091 22 L CA 0.995 55.891 54.840 0.093 0.000 0.828 22 L CB -1.260 40.880 42.059 0.134 0.000 0.973 22 L HN 0.872 nan 8.230 nan 0.000 0.461 23 F N -0.100 119.859 119.950 0.016 0.000 2.869 23 F HA 0.542 5.069 4.527 0.000 0.000 0.298 23 F C 1.286 177.100 175.800 0.023 0.000 1.235 23 F CA -0.439 57.571 58.000 0.018 0.000 1.402 23 F CB -1.329 37.681 39.000 0.017 0.000 1.142 23 F HN 0.136 nan 8.300 nan 0.000 0.529 24 G N -0.223 108.544 108.800 -0.056 0.000 2.189 24 G HA2 -0.302 3.659 3.960 0.000 0.000 0.267 24 G HA3 -0.302 3.659 3.960 0.000 0.000 0.267 24 G C -0.226 174.581 174.900 -0.154 0.000 0.975 24 G CA 0.163 45.218 45.100 -0.075 0.000 0.644 24 G HN 0.487 nan 8.290 nan 0.000 0.537 25 D N 1.350 121.549 120.400 -0.335 0.000 2.371 25 D HA 0.510 5.150 4.640 0.000 0.000 0.256 25 D C 0.827 177.033 176.300 -0.155 0.000 1.193 25 D CA 1.034 54.867 54.000 -0.279 0.000 0.881 25 D CB 1.307 41.841 40.800 -0.443 0.000 1.143 25 D HN 0.588 nan 8.370 nan 0.000 0.473 26 S N 1.187 116.840 115.700 -0.079 0.000 2.740 26 S HA 0.769 5.239 4.470 0.000 0.000 0.300 26 S C -0.617 173.979 174.600 -0.007 0.000 1.147 26 S CA -0.982 57.193 58.200 -0.041 0.000 0.871 26 S CB 1.864 65.046 63.200 -0.030 0.000 1.173 26 S HN 0.289 nan 8.310 nan 0.000 0.510 27 I N 1.194 121.764 120.570 -0.000 0.000 2.560 27 I HA 0.356 4.526 4.170 0.000 0.000 0.283 27 I C -1.805 174.287 176.117 -0.042 0.000 1.115 27 I CA -0.312 61.007 61.300 0.031 0.000 1.066 27 I CB 1.437 39.491 38.000 0.091 0.000 1.221 27 I HN 0.616 nan 8.210 nan 0.000 0.450 28 D N 8.317 128.679 120.400 -0.063 0.000 2.371 28 D HA 0.336 4.976 4.640 0.000 0.000 0.256 28 D C -0.198 175.815 176.300 -0.478 0.000 1.193 28 D CA 0.644 54.483 54.000 -0.268 0.000 0.881 28 D CB 1.258 41.965 40.800 -0.155 0.000 1.143 28 D HN 0.392 nan 8.370 nan 0.000 0.473 29 I N 3.333 123.489 120.570 -0.691 0.000 2.382 29 I HA 0.234 4.404 4.170 0.000 0.000 0.286 29 I C -0.674 174.954 176.117 -0.815 0.000 1.002 29 I CA -0.740 60.106 61.300 -0.756 0.000 1.135 29 I CB 0.818 38.468 38.000 -0.583 0.000 1.288 29 I HN 0.060 nan 8.210 nan 0.000 0.448 30 F N 5.559 125.321 119.950 -0.313 0.000 2.427 30 F HA 0.483 5.011 4.527 0.001 0.000 0.348 30 F C 0.071 175.704 175.800 -0.279 0.000 1.125 30 F CA -0.782 57.116 58.000 -0.169 0.000 0.989 30 F CB 1.285 40.326 39.000 0.068 0.000 1.165 30 F HN 0.202 nan 8.300 nan 0.000 0.442 31 K N 1.554 121.881 120.400 -0.121 0.000 2.413 31 K HA 0.632 4.952 4.320 0.000 0.000 0.257 31 K C 0.386 176.935 176.600 -0.085 0.000 0.946 31 K CA -0.690 55.492 56.287 -0.175 0.000 0.823 31 K CB 1.918 34.100 32.500 -0.529 0.000 1.109 31 K HN 0.823 nan 8.250 nan 0.000 0.427 32 G N 2.748 111.551 108.800 0.004 0.000 2.131 32 G HA2 -0.194 3.766 3.960 0.000 0.000 0.201 32 G HA3 -0.194 3.766 3.960 0.000 0.000 0.201 32 G C -0.030 174.902 174.900 0.053 0.000 1.000 32 G CA -0.682 44.373 45.100 -0.076 0.000 0.680 32 G HN 0.548 nan 8.290 nan 0.000 0.514 33 I N 2.533 123.147 120.570 0.074 0.000 2.471 33 I HA 0.256 4.426 4.170 0.000 0.000 0.286 33 I C -1.512 174.617 176.117 0.020 0.000 1.079 33 I CA -1.929 59.358 61.300 -0.021 0.000 1.398 33 I CB 1.000 38.923 38.000 -0.127 0.000 1.403 33 I HN -0.034 nan 8.210 nan 0.000 0.530 34 P HA 0.087 nan 4.420 nan 0.000 0.287 34 P C -0.116 176.943 177.300 -0.402 0.000 1.281 34 P CA -0.236 62.558 63.100 -0.511 0.000 0.781 34 P CB 0.743 31.973 31.700 -0.784 0.000 0.903 35 F N 2.047 121.726 119.950 -0.451 0.000 2.656 35 F HA 0.613 5.140 4.527 0.000 0.000 0.291 35 F C 0.354 176.137 175.800 -0.028 0.000 1.122 35 F CA -0.452 57.301 58.000 -0.411 0.000 1.427 35 F CB -0.135 38.564 39.000 -0.502 0.000 1.125 35 F HN 0.287 nan 8.300 nan 0.000 0.583 36 A N 0.749 123.226 122.820 -0.571 0.000 2.515 36 A HA 0.832 5.152 4.320 0.000 0.000 0.296 36 A C -0.624 176.830 177.584 -0.217 0.000 1.094 36 A CA -0.637 51.209 52.037 -0.319 0.000 0.718 36 A CB 0.588 19.304 19.000 -0.473 0.000 1.307 36 A HN 0.509 nan 8.150 nan 0.000 0.408 37 A N 0.622 123.344 122.820 -0.163 0.000 2.425 37 A HA 0.593 4.913 4.320 0.000 0.000 0.249 37 A C 0.852 178.309 177.584 -0.211 0.000 1.084 37 A CA 0.251 52.145 52.037 -0.239 0.000 0.781 37 A CB -0.216 18.650 19.000 -0.223 0.000 1.019 37 A HN 2.414 nan 8.150 nan 0.000 0.490 38 A N 4.583 127.290 122.820 -0.189 0.000 2.563 38 A HA 0.401 4.721 4.320 0.000 0.000 0.256 38 A C -1.491 176.015 177.584 -0.130 0.000 1.056 38 A CA -0.472 51.481 52.037 -0.141 0.000 0.775 38 A CB -0.829 18.118 19.000 -0.087 0.000 0.973 38 A HN 0.707 nan 8.150 nan 0.000 0.516 39 P HA 0.116 nan 4.420 nan 0.000 0.267 39 P C -0.861 176.359 177.300 -0.133 0.000 1.200 39 P CA 0.031 63.053 63.100 -0.130 0.000 0.772 39 P CB 0.485 32.114 31.700 -0.118 0.000 0.855 40 K N 1.766 122.073 120.400 -0.154 0.000 2.276 40 K HA 0.475 4.795 4.320 0.000 0.000 0.285 40 K C 0.399 176.876 176.600 -0.205 0.000 1.062 40 K CA -0.386 55.809 56.287 -0.154 0.000 0.918 40 K CB 0.122 32.534 32.500 -0.147 0.000 1.055 40 K HN 0.498 nan 8.250 nan 0.000 0.477 41 A N 3.621 126.334 122.820 -0.178 0.000 2.608 41 A HA -0.031 4.289 4.320 0.000 0.000 0.239 41 A C 0.468 177.863 177.584 -0.315 0.000 1.018 41 A CA 0.171 52.081 52.037 -0.210 0.000 0.766 41 A CB -0.778 18.136 19.000 -0.144 0.000 0.928 41 A HN 0.952 nan 8.150 nan 0.000 0.512 42 L N -0.054 120.883 121.223 -0.476 0.000 3.737 42 L HA -0.207 4.134 4.340 0.000 0.000 0.418 42 L C 0.033 176.322 176.870 -0.968 0.000 1.216 42 L CA 0.767 55.117 54.840 -0.816 0.000 0.915 42 L CB -1.762 40.104 42.059 -0.322 0.000 1.834 42 L HN 0.792 nan 8.230 nan 0.000 0.943 43 E N -0.178 119.511 120.200 -0.851 0.000 2.356 43 E HA 0.443 4.793 4.350 0.000 0.000 0.275 43 E C -0.328 176.050 176.600 -0.370 0.000 0.904 43 E CA -0.975 55.130 56.400 -0.492 0.000 0.757 43 E CB 1.978 31.509 29.700 -0.283 0.000 1.232 43 E HN 0.079 nan 8.360 nan 0.000 0.442 44 K N 2.070 122.326 120.400 -0.241 0.000 2.455 44 K HA 0.086 4.406 4.320 0.000 0.000 0.269 44 K C -1.987 174.488 176.600 -0.210 0.000 0.972 44 K CA -0.742 55.373 56.287 -0.287 0.000 0.938 44 K CB -0.007 32.152 32.500 -0.568 0.000 0.931 44 K HN 0.232 nan 8.250 nan 0.000 0.507 45 P HA 0.081 nan 4.420 nan 0.000 0.274 45 P C -1.214 176.034 177.300 -0.086 0.000 1.231 45 P CA -0.050 63.006 63.100 -0.074 0.000 0.790 45 P CB 0.920 32.644 31.700 0.041 0.000 0.951 46 E N 0.989 121.141 120.200 -0.078 0.000 2.266 46 E HA 0.275 4.625 4.350 0.000 0.000 0.268 46 E C -0.184 176.398 176.600 -0.030 0.000 0.879 46 E CA -0.907 55.457 56.400 -0.060 0.000 0.762 46 E CB 1.582 31.233 29.700 -0.082 0.000 1.199 46 E HN 0.267 nan 8.360 nan 0.000 0.422 47 R N 1.338 121.849 120.500 0.019 0.000 2.862 47 R HA -0.041 4.299 4.340 0.000 0.000 0.267 47 R C -0.002 176.338 176.300 0.066 0.000 0.995 47 R CA 0.265 56.413 56.100 0.079 0.000 1.140 47 R CB 0.074 30.429 30.300 0.092 0.000 1.031 47 R HN 0.497 nan 8.270 nan 0.000 0.459 48 H N 2.195 121.303 119.070 0.065 0.000 2.610 48 H HA 0.083 4.640 4.556 0.000 0.000 0.336 48 H C -1.155 174.229 175.328 0.094 0.000 1.087 48 H CA -1.321 54.769 56.048 0.071 0.000 1.405 48 H CB 1.139 30.989 29.762 0.147 0.000 1.460 48 H HN 0.380 nan 8.280 nan 0.000 0.538 49 P HA 0.094 nan 4.420 nan 0.000 0.221 49 P C -0.029 177.368 177.300 0.161 0.000 1.150 49 P CA 1.265 64.385 63.100 0.033 0.000 0.800 49 P CB 0.431 32.098 31.700 -0.054 0.000 0.787 50 G N -0.104 108.957 108.800 0.435 0.000 2.497 50 G HA2 0.108 4.068 3.960 0.000 0.000 0.686 50 G HA3 0.108 4.068 3.960 0.000 0.000 0.686 50 G C -1.188 173.979 174.900 0.445 0.000 1.288 50 G CA -0.651 44.626 45.100 0.295 0.000 0.899 50 G HN 0.349 nan 8.290 nan 0.000 0.608 51 W N -0.446 120.963 121.300 0.182 0.000 3.164 51 W HA 0.720 5.381 4.660 0.001 0.000 0.325 51 W C 1.137 177.734 176.519 0.130 0.000 1.228 51 W CA -0.118 57.321 57.345 0.156 0.000 1.024 51 W CB 0.297 29.848 29.460 0.152 0.000 1.534 51 W HN 0.732 nan 8.180 nan 0.000 0.614 52 Q N 0.852 120.871 119.800 0.365 0.000 1.916 52 Q HA 0.225 4.565 4.340 0.000 0.000 0.203 52 Q C 1.634 177.743 176.000 0.183 0.000 0.983 52 Q CA 2.040 57.970 55.803 0.211 0.000 0.846 52 Q CB -1.158 27.694 28.738 0.190 0.000 0.909 52 Q HN 0.797 nan 8.270 nan 0.000 0.427 53 G N -1.206 107.759 108.800 0.275 0.000 2.639 53 G HA2 0.287 4.247 3.960 0.000 0.000 0.201 53 G HA3 0.287 4.247 3.960 0.000 0.000 0.201 53 G C -0.231 174.888 174.900 0.365 0.000 1.260 53 G CA 0.291 45.531 45.100 0.233 0.000 0.749 53 G HN 0.274 nan 8.290 nan 0.000 0.611 54 T N 0.688 115.476 114.554 0.390 0.000 2.991 54 T HA 0.473 4.823 4.350 0.000 0.000 0.303 54 T C -1.305 173.590 174.700 0.325 0.000 1.015 54 T CA -0.324 62.031 62.100 0.425 0.000 1.007 54 T CB 2.160 71.172 68.868 0.240 0.000 1.034 54 T HN 0.234 nan 8.240 nan 0.000 0.446 55 L N 3.911 125.321 121.223 0.312 0.000 2.281 55 L HA 0.463 4.803 4.340 0.000 0.000 0.285 55 L C 0.106 176.978 176.870 0.004 0.000 1.074 55 L CA -0.673 54.108 54.840 -0.099 0.000 0.817 55 L CB 0.300 41.944 42.059 -0.692 0.000 1.168 55 L HN 0.301 nan 8.230 nan 0.000 0.434 56 K N 5.588 125.973 120.400 -0.025 0.000 2.171 56 K HA 0.213 4.534 4.320 0.000 0.000 0.274 56 K C -0.145 176.437 176.600 -0.030 0.000 1.110 56 K CA -0.072 56.215 56.287 -0.001 0.000 0.952 56 K CB 0.872 33.363 32.500 -0.014 0.000 1.309 56 K HN 0.644 nan 8.250 nan 0.000 0.414 57 A N 3.979 126.816 122.820 0.029 0.000 2.915 57 A HA 0.092 4.412 4.320 0.000 0.000 0.292 57 A C 0.769 178.341 177.584 -0.019 0.000 1.632 57 A CA -0.283 51.769 52.037 0.025 0.000 1.337 57 A CB -0.230 18.870 19.000 0.166 0.000 1.111 57 A HN 0.557 nan 8.150 nan 0.000 0.569 58 K N -0.939 119.399 120.400 -0.103 0.000 2.483 58 K HA 0.426 4.747 4.320 0.000 0.000 0.206 58 K C -0.206 176.249 176.600 -0.242 0.000 1.086 58 K CA -0.004 56.187 56.287 -0.161 0.000 1.052 58 K CB 0.502 32.933 32.500 -0.115 0.000 0.904 58 K HN 0.174 nan 8.250 nan 0.000 0.557 59 S N 0.162 115.705 115.700 -0.262 0.000 2.550 59 S HA 0.516 4.986 4.470 0.000 0.000 0.270 59 S C -1.495 172.936 174.600 -0.283 0.000 1.145 59 S CA -0.848 57.160 58.200 -0.319 0.000 0.852 59 S CB 0.457 63.538 63.200 -0.198 0.000 1.119 59 S HN 0.125 nan 8.310 nan 0.000 0.465 60 F N 3.008 122.837 119.950 -0.203 0.000 2.504 60 F HA 0.310 4.837 4.527 0.000 0.000 0.369 60 F C 1.339 177.000 175.800 -0.231 0.000 1.082 60 F CA -0.335 57.530 58.000 -0.224 0.000 1.216 60 F CB 0.334 39.175 39.000 -0.265 0.000 1.108 60 F HN 0.280 nan 8.300 nan 0.000 0.554 61 K N 1.727 122.065 120.400 -0.105 0.000 2.233 61 K HA 0.149 4.469 4.320 0.000 0.000 0.239 61 K C 0.093 176.616 176.600 -0.128 0.000 1.064 61 K CA -0.690 55.428 56.287 -0.281 0.000 0.884 61 K CB 0.386 32.417 32.500 -0.782 0.000 1.166 61 K HN 0.243 nan 8.250 nan 0.000 0.512 62 K N 2.170 122.503 120.400 -0.111 0.000 2.205 62 K HA 0.059 4.380 4.320 0.000 0.000 0.279 62 K C 0.055 176.645 176.600 -0.017 0.000 1.027 62 K CA -0.231 56.023 56.287 -0.055 0.000 0.932 62 K CB 0.593 33.072 32.500 -0.035 0.000 1.032 62 K HN 0.518 nan 8.250 nan 0.000 0.466 63 R N 2.276 122.746 120.500 -0.049 0.000 2.827 63 R HA 0.110 4.450 4.340 0.000 0.000 0.269 63 R C -0.450 175.861 176.300 0.018 0.000 1.048 63 R CA -0.327 55.751 56.100 -0.036 0.000 1.173 63 R CB -0.388 29.844 30.300 -0.113 0.000 1.070 63 R HN 0.509 nan 8.270 nan 0.000 0.498 64 c N 1.394 120.018 118.600 0.039 0.000 2.676 64 c HA 0.063 4.633 4.570 0.000 0.000 0.416 64 c C 0.870 174.980 174.090 0.034 0.000 1.299 64 c CA -0.742 55.612 56.329 0.041 0.000 2.048 64 c CB -0.283 42.251 42.510 0.039 0.000 2.713 64 c HN 0.694 nan 8.230 nan 0.000 0.624 65 L N 4.592 125.831 121.223 0.027 0.000 2.700 65 L HA 0.094 4.434 4.340 0.000 0.000 0.276 65 L C 0.298 177.190 176.870 0.038 0.000 1.200 65 L CA 1.263 56.122 54.840 0.031 0.000 0.951 65 L CB -0.668 41.395 42.059 0.007 0.000 1.226 65 L HN 0.902 nan 8.230 nan 0.000 0.489 66 Q N 4.394 124.238 119.800 0.072 0.000 2.511 66 Q HA 0.838 5.178 4.340 0.000 0.000 0.289 66 Q C -1.189 174.838 176.000 0.044 0.000 1.021 66 Q CA -0.896 54.952 55.803 0.074 0.000 0.785 66 Q CB 1.095 29.899 28.738 0.110 0.000 1.472 66 Q HN 0.734 nan 8.270 nan 0.000 0.411 67 A N 0.998 123.822 122.820 0.007 0.000 2.351 67 A HA 0.504 4.824 4.320 0.000 0.000 0.257 67 A C 0.200 177.647 177.584 -0.228 0.000 1.087 67 A CA 0.101 52.089 52.037 -0.082 0.000 0.798 67 A CB 0.621 19.594 19.000 -0.045 0.000 1.033 67 A HN 0.761 nan 8.150 nan 0.000 0.488 68 T N 0.827 115.126 114.554 -0.425 0.000 4.593 68 T HA 0.227 4.577 4.350 0.000 0.000 0.269 68 T C 0.723 175.220 174.700 -0.338 0.000 0.942 68 T CA -0.080 61.547 62.100 -0.787 0.000 1.517 68 T CB -0.239 68.138 68.868 -0.817 0.000 2.123 68 T HN 0.406 nan 8.240 nan 0.000 0.377 69 L N 2.869 123.947 121.223 -0.241 0.000 2.583 69 L HA 0.179 4.519 4.340 0.000 0.000 0.239 69 L C 1.023 177.833 176.870 -0.100 0.000 1.347 69 L CA -0.112 54.658 54.840 -0.117 0.000 1.246 69 L CB -1.243 40.774 42.059 -0.070 0.000 1.496 69 L HN 0.956 nan 8.230 nan 0.000 0.413 70 T N -2.517 111.972 114.554 -0.108 0.000 8.547 70 T HA -0.371 3.980 4.350 0.000 0.000 0.354 70 T C 1.127 175.775 174.700 -0.086 0.000 1.814 70 T CA 1.701 63.743 62.100 -0.095 0.000 2.663 70 T CB -1.073 67.736 68.868 -0.098 0.000 2.776 70 T HN 0.572 nan 8.240 nan 0.000 1.256 71 Q N 1.379 121.125 119.800 -0.089 0.000 2.425 71 Q HA 0.491 4.832 4.340 0.000 0.000 0.204 71 Q C 0.397 176.354 176.000 -0.073 0.000 0.933 71 Q CA 0.762 56.522 55.803 -0.071 0.000 0.939 71 Q CB 0.412 29.112 28.738 -0.063 0.000 1.044 71 Q HN 0.789 nan 8.270 nan 0.000 0.513 72 D N -1.149 119.192 120.400 -0.098 0.000 2.721 72 D HA -0.003 4.637 4.640 0.000 0.000 0.221 72 D C -1.201 175.028 176.300 -0.119 0.000 1.208 72 D CA -0.166 53.781 54.000 -0.088 0.000 0.755 72 D CB 1.417 42.170 40.800 -0.079 0.000 1.732 72 D HN -0.091 nan 8.370 nan 0.000 0.490 73 S N 1.767 117.422 115.700 -0.076 0.000 2.930 73 S HA 0.052 4.522 4.470 0.000 0.000 0.257 73 S C 0.867 175.442 174.600 -0.041 0.000 1.208 73 S CA 0.041 58.204 58.200 -0.062 0.000 1.233 73 S CB -0.736 62.448 63.200 -0.026 0.000 0.900 73 S HN 0.415 nan 8.310 nan 0.000 0.472 74 T N 1.468 115.970 114.554 -0.087 0.000 3.584 74 T HA 0.121 4.472 4.350 0.000 0.000 0.252 74 T C -0.438 174.403 174.700 0.234 0.000 1.103 74 T CA 0.164 62.269 62.100 0.008 0.000 0.977 74 T CB -0.584 68.271 68.868 -0.021 0.000 1.044 74 T HN 0.354 nan 8.240 nan 0.000 0.589 75 Y N 0.731 121.024 120.300 -0.012 0.000 2.477 75 Y HA 0.577 5.127 4.550 0.000 0.000 0.347 75 Y C 0.962 176.852 175.900 -0.017 0.000 0.981 75 Y CA -1.350 56.740 58.100 -0.017 0.000 1.033 75 Y CB 1.457 39.905 38.460 -0.019 0.000 1.245 75 Y HN 0.403 nan 8.280 nan 0.000 0.455 76 G N 2.690 111.558 108.800 0.113 0.000 2.749 76 G HA2 -0.242 3.718 3.960 0.000 0.000 0.242 76 G HA3 -0.242 3.718 3.960 0.000 0.000 0.242 76 G C -0.639 174.286 174.900 0.043 0.000 1.364 76 G CA 0.046 45.173 45.100 0.045 0.000 0.888 76 G HN 0.916 nan 8.290 nan 0.000 0.566 77 N N -0.904 117.815 118.700 0.032 0.000 2.484 77 N HA 0.167 4.907 4.740 0.000 0.000 0.269 77 N C 1.066 176.592 175.510 0.027 0.000 1.237 77 N CA 0.064 53.130 53.050 0.026 0.000 0.838 77 N CB 1.195 39.696 38.487 0.024 0.000 1.593 77 N HN 0.673 nan 8.380 nan 0.000 0.485 78 E N -0.016 120.190 120.200 0.010 0.000 2.253 78 E HA -0.221 4.129 4.350 0.000 0.000 0.202 78 E C -0.441 176.163 176.600 0.006 0.000 1.014 78 E CA 1.233 57.630 56.400 -0.006 0.000 0.823 78 E CB -0.009 29.677 29.700 -0.023 0.000 0.736 78 E HN 0.389 nan 8.360 nan 0.000 0.478 79 D N -0.953 119.470 120.400 0.038 0.000 2.274 79 D HA 0.114 4.755 4.640 0.000 0.000 0.239 79 D C -0.057 176.347 176.300 0.175 0.000 1.104 79 D CA -0.522 53.528 54.000 0.084 0.000 0.840 79 D CB 0.899 41.764 40.800 0.110 0.000 1.100 79 D HN 0.170 nan 8.370 nan 0.000 0.477 80 c N 2.346 121.070 118.600 0.207 0.000 4.480 80 c HA 0.172 4.743 4.570 0.000 0.000 0.353 80 c C 0.675 174.976 174.090 0.352 0.000 2.012 80 c CA -0.557 55.963 56.329 0.318 0.000 1.666 80 c CB -0.962 41.649 42.510 0.170 0.000 2.739 80 c HN 0.521 nan 8.230 nan 0.000 0.571 81 L N 2.495 123.695 121.223 -0.039 0.000 2.450 81 L HA 0.241 4.581 4.340 0.000 0.000 0.256 81 L C -0.552 175.911 176.870 -0.678 0.000 1.374 81 L CA 1.319 55.917 54.840 -0.404 0.000 1.210 81 L CB -1.289 40.297 42.059 -0.787 0.000 1.394 81 L HN 0.445 nan 8.230 nan 0.000 0.438 82 Y N 1.630 122.031 120.300 0.169 0.000 2.693 82 Y HA 0.717 5.267 4.550 0.000 0.000 0.331 82 Y C 0.025 176.211 175.900 0.477 0.000 1.092 82 Y CA -1.265 56.981 58.100 0.243 0.000 1.131 82 Y CB 1.615 40.120 38.460 0.076 0.000 1.318 82 Y HN 0.170 nan 8.280 nan 0.000 0.510 83 L N -0.337 121.109 121.223 0.372 0.000 2.465 83 L HA 0.720 5.060 4.340 0.000 0.000 0.257 83 L C -1.733 175.237 176.870 0.166 0.000 0.988 83 L CA -1.155 53.823 54.840 0.231 0.000 0.827 83 L CB 1.960 43.995 42.059 -0.040 0.000 1.397 83 L HN 0.403 nan 8.230 nan 0.000 0.410 84 N N 2.689 121.545 118.700 0.261 0.000 2.443 84 N HA 0.650 5.390 4.740 0.000 0.000 0.269 84 N C -1.080 174.597 175.510 0.278 0.000 0.985 84 N CA -0.179 53.004 53.050 0.221 0.000 0.921 84 N CB 2.315 41.017 38.487 0.359 0.000 1.195 84 N HN 0.691 nan 8.380 nan 0.000 0.492 85 I N 0.645 121.301 120.570 0.143 0.000 2.437 85 I HA 0.391 4.561 4.170 0.000 0.000 0.298 85 I C -0.241 176.035 176.117 0.265 0.000 0.984 85 I CA -0.691 60.768 61.300 0.265 0.000 1.214 85 I CB 1.847 39.869 38.000 0.037 0.000 1.365 85 I HN 0.232 nan 8.210 nan 0.000 0.469 86 W N 5.827 127.252 121.300 0.209 0.000 2.362 86 W HA 0.489 5.149 4.660 0.000 0.000 0.316 86 W C -1.252 175.374 176.519 0.179 0.000 1.024 86 W CA -0.596 56.850 57.345 0.168 0.000 1.270 86 W CB 2.054 31.599 29.460 0.142 0.000 1.273 86 W HN 0.108 nan 8.180 nan 0.000 0.424 87 V N 5.654 125.783 119.914 0.359 0.000 2.334 87 V HA 0.246 4.366 4.120 0.000 0.000 0.281 87 V C -2.059 174.161 176.094 0.210 0.000 1.016 87 V CA -2.192 60.292 62.300 0.307 0.000 0.832 87 V CB 1.597 33.651 31.823 0.384 0.000 0.999 87 V HN 0.251 nan 8.190 nan 0.000 0.439 88 P HA 0.277 nan 4.420 nan 0.000 0.275 88 P C -0.748 176.607 177.300 0.091 0.000 1.228 88 P CA -0.272 62.891 63.100 0.106 0.000 0.786 88 P CB 0.585 32.322 31.700 0.062 0.000 0.927 89 Q N 0.763 120.598 119.800 0.059 0.000 2.365 89 Q HA 0.599 4.939 4.340 0.000 0.000 0.269 89 Q C -0.044 175.975 176.000 0.031 0.000 1.061 89 Q CA -0.568 55.270 55.803 0.058 0.000 0.816 89 Q CB 2.565 31.335 28.738 0.054 0.000 1.325 89 Q HN 0.544 nan 8.270 nan 0.000 0.446 90 G N 0.765 109.598 108.800 0.055 0.000 2.379 90 G HA2 0.295 4.255 3.960 0.000 0.000 0.327 90 G HA3 0.295 4.255 3.960 0.000 0.000 0.327 90 G C 0.648 175.574 174.900 0.042 0.000 1.145 90 G CA -0.369 44.761 45.100 0.049 0.000 0.905 90 G HN 0.665 nan 8.290 nan 0.000 0.466 91 R N 1.743 122.261 120.500 0.029 0.000 2.136 91 R HA -0.237 4.103 4.340 0.000 0.000 0.242 91 R C 2.624 178.951 176.300 0.046 0.000 1.131 91 R CA 2.477 58.599 56.100 0.035 0.000 0.937 91 R CB -0.251 30.085 30.300 0.060 0.000 0.863 91 R HN 0.720 nan 8.270 nan 0.000 0.435 92 K N 0.256 120.690 120.400 0.057 0.000 2.044 92 K HA -0.185 4.135 4.320 0.000 0.000 0.210 92 K C 0.330 176.951 176.600 0.035 0.000 1.049 92 K CA 1.820 58.135 56.287 0.047 0.000 0.927 92 K CB -0.195 32.336 32.500 0.051 0.000 0.713 92 K HN 0.475 nan 8.250 nan 0.000 0.443 93 E N -0.694 119.531 120.200 0.042 0.000 2.427 93 E HA 0.254 4.604 4.350 0.000 0.000 0.279 93 E C -0.858 175.780 176.600 0.063 0.000 1.120 93 E CA -0.755 55.666 56.400 0.036 0.000 0.869 93 E CB 0.857 30.561 29.700 0.007 0.000 1.393 93 E HN 0.032 nan 8.360 nan 0.000 0.443 94 V N -0.067 119.887 119.914 0.067 0.000 2.673 94 V HA 0.342 4.462 4.120 0.000 0.000 0.303 94 V C 0.300 176.495 176.094 0.168 0.000 1.046 94 V CA -0.481 61.883 62.300 0.106 0.000 1.126 94 V CB 0.637 32.521 31.823 0.102 0.000 0.934 94 V HN 0.674 nan 8.190 nan 0.000 0.487 95 S N 4.511 120.329 115.700 0.197 0.000 2.558 95 S HA 0.205 4.675 4.470 0.000 0.000 0.287 95 S C 0.051 174.837 174.600 0.309 0.000 1.321 95 S CA 0.153 58.505 58.200 0.252 0.000 1.048 95 S CB -0.302 62.996 63.200 0.165 0.000 0.844 95 S HN 1.253 nan 8.310 nan 0.000 0.512 96 H N -0.634 118.483 119.070 0.079 0.000 2.996 96 H HA 0.403 4.960 4.556 0.000 0.000 0.368 96 H C -0.799 174.568 175.328 0.066 0.000 1.185 96 H CA -1.124 54.968 56.048 0.072 0.000 1.160 96 H CB 0.157 29.954 29.762 0.059 0.000 1.820 96 H HN 0.500 nan 8.280 nan 0.000 0.547 97 D N 0.276 120.698 120.400 0.037 0.000 2.845 97 D HA -0.182 4.458 4.640 0.000 0.000 0.229 97 D C -0.047 176.220 176.300 -0.055 0.000 1.170 97 D CA 0.678 54.669 54.000 -0.015 0.000 0.717 97 D CB -0.926 39.867 40.800 -0.011 0.000 1.073 97 D HN 0.371 nan 8.370 nan 0.000 0.424 98 L N -0.472 120.731 121.223 -0.033 0.000 2.472 98 L HA 0.335 4.675 4.340 0.000 0.000 0.260 98 L C -1.577 175.299 176.870 0.010 0.000 1.209 98 L CA -0.903 53.924 54.840 -0.021 0.000 0.817 98 L CB -0.139 41.929 42.059 0.015 0.000 1.106 98 L HN -0.158 nan 8.230 nan 0.000 0.479 99 P HA 0.269 nan 4.420 nan 0.000 0.279 99 P C -1.429 175.903 177.300 0.055 0.000 1.252 99 P CA -0.360 62.750 63.100 0.017 0.000 0.811 99 P CB 1.021 32.719 31.700 -0.003 0.000 1.035 100 V N 2.935 122.890 119.914 0.069 0.000 2.487 100 V HA 0.452 4.572 4.120 0.000 0.000 0.298 100 V C -0.018 176.168 176.094 0.154 0.000 1.028 100 V CA -0.299 62.070 62.300 0.116 0.000 0.860 100 V CB 1.399 33.287 31.823 0.107 0.000 0.991 100 V HN 0.475 nan 8.190 nan 0.000 0.427 101 M N 5.856 125.594 119.600 0.230 0.000 2.018 101 M HA 0.534 5.014 4.480 0.000 0.000 0.311 101 M C -0.806 175.815 176.300 0.536 0.000 0.928 101 M CA -0.197 55.330 55.300 0.379 0.000 0.911 101 M CB 1.534 34.328 32.600 0.322 0.000 1.447 101 M HN 0.483 nan 8.290 nan 0.000 0.407 102 I N 2.562 123.397 120.570 0.442 0.000 2.662 102 I HA 0.285 4.456 4.170 0.000 0.000 0.291 102 I C -0.451 175.851 176.117 0.307 0.000 1.046 102 I CA -0.300 61.215 61.300 0.359 0.000 1.361 102 I CB 0.976 39.107 38.000 0.219 0.000 1.429 102 I HN 0.704 nan 8.210 nan 0.000 0.558 103 W N 7.307 128.586 121.300 -0.034 0.000 2.839 103 W HA 0.568 5.228 4.660 0.000 0.000 0.334 103 W C -2.056 174.370 176.519 -0.155 0.000 1.064 103 W CA -0.850 56.238 57.345 -0.427 0.000 1.236 103 W CB 1.346 30.426 29.460 -0.633 0.000 1.405 103 W HN 0.300 nan 8.180 nan 0.000 0.478 104 I N 8.377 128.446 120.570 -0.836 0.000 2.330 104 I HA 0.108 4.278 4.170 0.000 0.000 0.286 104 I C 0.041 175.383 176.117 -1.292 0.000 1.025 104 I CA -1.079 59.683 61.300 -0.897 0.000 1.197 104 I CB 0.522 38.191 38.000 -0.553 0.000 1.358 104 I HN 0.315 nan 8.210 nan 0.000 0.467 105 Y N 4.565 124.342 120.300 -0.871 0.000 2.385 105 Y HA 0.643 5.193 4.550 0.000 0.000 0.346 105 Y C 0.599 176.378 175.900 -0.202 0.000 1.270 105 Y CA -0.855 56.972 58.100 -0.455 0.000 1.472 105 Y CB 0.205 38.783 38.460 0.197 0.000 1.354 105 Y HN 0.496 nan 8.280 nan 0.000 0.611 106 G N -0.904 107.987 108.800 0.152 0.000 2.591 106 G HA2 0.535 4.496 3.960 0.000 0.000 0.306 106 G HA3 0.535 4.496 3.960 0.000 0.000 0.306 106 G C -0.566 174.451 174.900 0.195 0.000 1.334 106 G CA -0.746 44.400 45.100 0.077 0.000 0.981 106 G HN 1.304 nan 8.290 nan 0.000 0.491 107 G N -0.332 108.554 108.800 0.143 0.000 4.836 107 G HA2 0.565 4.525 3.960 0.000 0.000 0.222 107 G HA3 0.565 4.525 3.960 0.000 0.000 0.222 107 G C 0.657 175.662 174.900 0.175 0.000 1.332 107 G CA 1.075 46.280 45.100 0.174 0.000 0.606 107 G HN 2.144 nan 8.290 nan 0.000 0.357 108 A N -0.155 122.741 122.820 0.127 0.000 2.799 108 A HA -0.210 4.110 4.320 0.000 0.000 0.274 108 A C 1.398 179.227 177.584 0.408 0.000 1.393 108 A CA 1.820 53.978 52.037 0.201 0.000 0.909 108 A CB -2.196 16.926 19.000 0.204 0.000 1.012 108 A HN 1.789 nan 8.150 nan 0.000 0.653 109 F N -4.955 115.142 119.950 0.244 0.000 2.748 109 F HA -0.312 4.215 4.527 0.000 0.000 0.370 109 F C 1.131 177.166 175.800 0.391 0.000 0.620 109 F CA 1.908 60.096 58.000 0.313 0.000 1.233 109 F CB -1.516 37.522 39.000 0.064 0.000 1.708 109 F HN 0.896 nan 8.300 nan 0.000 0.298 110 L N -2.144 119.347 121.223 0.446 0.000 2.766 110 L HA 0.568 4.908 4.340 0.000 0.000 0.242 110 L C 0.432 177.454 176.870 0.252 0.000 1.136 110 L CA 0.132 55.192 54.840 0.366 0.000 0.933 110 L CB 0.768 43.069 42.059 0.404 0.000 1.241 110 L HN 0.228 nan 8.230 nan 0.000 0.522 111 M N 0.137 119.873 119.600 0.227 0.000 2.755 111 M HA 0.758 5.238 4.480 0.000 0.000 0.273 111 M C -1.062 175.341 176.300 0.172 0.000 1.278 111 M CA 0.142 55.545 55.300 0.173 0.000 0.819 111 M CB 2.549 35.247 32.600 0.164 0.000 1.694 111 M HN 0.109 nan 8.290 nan 0.000 0.460 112 G N 1.087 109.926 108.800 0.065 0.000 2.627 112 G HA2 0.461 4.421 3.960 0.000 0.000 0.680 112 G HA3 0.461 4.421 3.960 0.000 0.000 0.680 112 G C -1.987 172.550 174.900 -0.605 0.000 1.341 112 G CA -0.363 44.654 45.100 -0.138 0.000 0.835 112 G HN 1.226 nan 8.290 nan 0.000 0.643 113 A N 1.043 123.285 122.820 -0.964 0.000 2.422 113 A HA 0.889 5.209 4.320 0.000 0.000 0.302 113 A C 1.117 178.145 177.584 -0.926 0.000 1.041 113 A CA 0.815 52.353 52.037 -0.832 0.000 0.708 113 A CB 1.742 20.459 19.000 -0.472 0.000 1.257 113 A HN 2.124 nan 8.150 nan 0.000 0.414 114 S N 0.510 115.860 115.700 -0.582 0.000 2.440 114 S HA -0.181 4.289 4.470 0.000 0.000 0.238 114 S C 1.837 176.305 174.600 -0.219 0.000 1.010 114 S CA 2.128 60.249 58.200 -0.131 0.000 0.972 114 S CB -0.268 62.990 63.200 0.098 0.000 0.774 114 S HN 0.773 nan 8.310 nan 0.000 0.501 115 Q N 0.297 119.744 119.800 -0.588 0.000 2.245 115 Q HA 0.226 4.566 4.340 0.000 0.000 0.201 115 Q C 1.111 176.782 176.000 -0.547 0.000 0.955 115 Q CA 0.747 55.998 55.803 -0.920 0.000 0.870 115 Q CB -0.974 26.967 28.738 -1.327 0.000 0.945 115 Q HN 0.488 nan 8.270 nan 0.000 0.461 116 G N 1.431 109.857 108.800 -0.623 0.000 2.728 116 G HA2 -0.029 3.932 3.960 0.000 0.000 0.686 116 G HA3 -0.029 3.932 3.960 0.000 0.000 0.686 116 G C -0.073 174.534 174.900 -0.488 0.000 1.337 116 G CA -0.260 44.250 45.100 -0.983 0.000 0.861 116 G HN 0.772 nan 8.290 nan 0.000 0.597 117 A N 1.273 123.842 122.820 -0.418 0.000 2.613 117 A HA 0.468 4.788 4.320 0.000 0.000 0.230 117 A C 0.852 178.338 177.584 -0.164 0.000 1.051 117 A CA 1.554 53.462 52.037 -0.216 0.000 0.754 117 A CB 0.097 19.005 19.000 -0.154 0.000 0.979 117 A HN 2.495 nan 8.150 nan 0.000 0.510 118 N N -1.168 117.455 118.700 -0.129 0.000 2.732 118 N HA 0.687 5.427 4.740 0.000 0.000 0.259 118 N C -1.233 174.238 175.510 -0.065 0.000 1.402 118 N CA -0.746 52.196 53.050 -0.179 0.000 0.829 118 N CB 1.344 39.531 38.487 -0.499 0.000 1.495 118 N HN 0.604 nan 8.380 nan 0.000 0.511 119 F N 1.573 121.382 119.950 -0.235 0.000 2.745 119 F HA 0.453 4.980 4.527 0.000 0.000 0.343 119 F C -0.818 174.872 175.800 -0.183 0.000 1.196 119 F CA -0.824 57.074 58.000 -0.170 0.000 1.021 119 F CB 0.765 39.691 39.000 -0.124 0.000 1.297 119 F HN 0.527 nan 8.300 nan 0.000 0.486 120 L N 5.637 126.487 121.223 -0.621 0.000 3.755 120 L HA -0.283 4.057 4.340 0.000 0.000 0.587 120 L C 0.940 177.624 176.870 -0.311 0.000 1.235 120 L CA 1.333 55.879 54.840 -0.490 0.000 0.876 120 L CB -2.504 39.204 42.059 -0.585 0.000 1.431 120 L HN 0.987 nan 8.230 nan 0.000 0.840 121 S N -1.882 113.578 115.700 -0.399 0.000 3.146 121 S HA -0.231 4.239 4.470 0.000 0.000 0.285 121 S C 0.808 175.144 174.600 -0.440 0.000 1.293 121 S CA 1.550 59.474 58.200 -0.460 0.000 1.137 121 S CB -0.856 62.259 63.200 -0.141 0.000 1.357 121 S HN 0.736 nan 8.310 nan 0.000 0.678 122 N N 1.196 119.693 118.700 -0.338 0.000 3.034 122 N HA 0.302 5.042 4.740 0.000 0.000 0.265 122 N C -0.956 174.436 175.510 -0.197 0.000 1.166 122 N CA -0.167 52.797 53.050 -0.143 0.000 1.081 122 N CB -0.208 38.285 38.487 0.010 0.000 1.378 122 N HN 0.270 nan 8.380 nan 0.000 0.520 123 Y N 2.162 122.469 120.300 0.011 0.000 2.587 123 Y HA 0.020 4.571 4.550 0.000 0.000 0.344 123 Y C 1.421 177.199 175.900 -0.203 0.000 1.061 123 Y CA -0.380 57.673 58.100 -0.078 0.000 1.370 123 Y CB 0.599 39.081 38.460 0.036 0.000 1.163 123 Y HN 0.368 nan 8.280 nan 0.000 0.527 124 L N 3.929 125.047 121.223 -0.174 0.000 2.270 124 L HA -0.257 4.083 4.340 0.000 0.000 0.217 124 L C 0.488 177.118 176.870 -0.399 0.000 1.107 124 L CA 1.923 56.599 54.840 -0.272 0.000 0.772 124 L CB -0.432 41.406 42.059 -0.368 0.000 0.902 124 L HN 0.598 nan 8.230 nan 0.000 0.439 125 Y N -1.672 118.212 120.300 -0.694 0.000 2.713 125 Y HA 0.342 4.892 4.550 0.000 0.000 0.269 125 Y C 0.254 175.579 175.900 -0.958 0.000 1.106 125 Y CA -1.978 55.268 58.100 -1.424 0.000 1.174 125 Y CB -0.848 37.103 38.460 -0.849 0.000 1.186 125 Y HN 0.016 nan 8.280 nan 0.000 0.555 126 D N 1.032 121.189 120.400 -0.406 0.000 2.363 126 D HA 0.085 4.725 4.640 0.000 0.000 0.263 126 D C 1.134 177.127 176.300 -0.512 0.000 1.258 126 D CA 0.379 54.257 54.000 -0.203 0.000 0.907 126 D CB 1.123 42.000 40.800 0.128 0.000 1.107 126 D HN 0.507 nan 8.370 nan 0.000 0.495 127 G N 3.691 111.727 108.800 -1.274 0.000 3.452 127 G HA2 -0.040 3.920 3.960 0.000 0.000 0.258 127 G HA3 -0.040 3.920 3.960 0.000 0.000 0.258 127 G C 0.909 175.180 174.900 -1.048 0.000 1.305 127 G CA -0.279 44.191 45.100 -1.050 0.000 1.514 127 G HN 0.585 nan 8.290 nan 0.000 0.593 128 E N -0.214 119.653 120.200 -0.554 0.000 2.045 128 E HA -0.032 4.318 4.350 0.000 0.000 0.190 128 E C 2.018 178.601 176.600 -0.029 0.000 0.968 128 E CA 0.412 56.751 56.400 -0.101 0.000 0.813 128 E CB 0.158 29.956 29.700 0.163 0.000 0.780 128 E HN 0.255 nan 8.360 nan 0.000 0.455 129 E N 1.067 121.263 120.200 -0.006 0.000 2.033 129 E HA -0.205 4.145 4.350 0.000 0.000 0.199 129 E C 1.991 178.586 176.600 -0.008 0.000 1.011 129 E CA 1.787 58.201 56.400 0.023 0.000 0.815 129 E CB -0.291 29.451 29.700 0.069 0.000 0.755 129 E HN 0.360 nan 8.360 nan 0.000 0.451 130 I N 0.035 120.583 120.570 -0.037 0.000 2.315 130 I HA -0.332 3.838 4.170 0.000 0.000 0.251 130 I C 2.251 178.336 176.117 -0.053 0.000 1.125 130 I CA 1.103 62.356 61.300 -0.077 0.000 1.392 130 I CB -0.427 37.490 38.000 -0.138 0.000 1.065 130 I HN 0.171 nan 8.210 nan 0.000 0.424 131 A N 1.032 123.830 122.820 -0.037 0.000 1.855 131 A HA -0.176 4.144 4.320 0.000 0.000 0.213 131 A C 2.473 180.049 177.584 -0.013 0.000 1.195 131 A CA 2.129 54.169 52.037 0.006 0.000 0.610 131 A CB -1.188 17.859 19.000 0.078 0.000 0.837 131 A HN 0.490 nan 8.150 nan 0.000 0.444 132 T N -0.645 113.909 114.554 -0.000 0.000 2.516 132 T HA -0.293 4.057 4.350 0.000 0.000 0.261 132 T C 1.928 176.598 174.700 -0.049 0.000 1.130 132 T CA 1.839 63.930 62.100 -0.014 0.000 1.193 132 T CB -0.525 68.343 68.868 -0.001 0.000 0.864 132 T HN 0.423 nan 8.240 nan 0.000 0.410 133 R N 1.353 121.834 120.500 -0.033 0.000 2.103 133 R HA 0.081 4.421 4.340 0.000 0.000 0.242 133 R C 3.006 179.295 176.300 -0.018 0.000 1.142 133 R CA 1.621 57.717 56.100 -0.006 0.000 0.960 133 R CB -1.114 29.174 30.300 -0.019 0.000 0.858 133 R HN 0.646 nan 8.270 nan 0.000 0.439 134 G N -0.175 108.583 108.800 -0.069 0.000 2.448 134 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 134 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 134 G C 0.190 174.899 174.900 -0.320 0.000 1.135 134 G CA 0.536 45.575 45.100 -0.101 0.000 0.784 134 G HN 0.503 nan 8.290 nan 0.000 0.543 135 N N -1.929 116.577 118.700 -0.323 0.000 2.780 135 N HA -0.178 4.562 4.740 0.000 0.000 0.247 135 N C -0.758 174.660 175.510 -0.153 0.000 1.076 135 N CA 0.614 53.468 53.050 -0.327 0.000 0.688 135 N CB -1.195 36.877 38.487 -0.693 0.000 0.957 135 N HN 0.377 nan 8.380 nan 0.000 0.551 136 V N 0.875 120.751 119.914 -0.063 0.000 3.007 136 V HA 0.616 4.736 4.120 0.000 0.000 0.311 136 V C -0.138 176.002 176.094 0.076 0.000 1.120 136 V CA -0.973 61.330 62.300 0.005 0.000 0.980 136 V CB 1.823 33.645 31.823 -0.000 0.000 1.033 136 V HN 0.219 nan 8.190 nan 0.000 0.429 137 I N 5.335 125.979 120.570 0.122 0.000 2.352 137 I HA 0.316 4.486 4.170 0.000 0.000 0.290 137 I C -0.275 175.983 176.117 0.235 0.000 1.036 137 I CA -0.406 61.013 61.300 0.199 0.000 1.336 137 I CB 1.403 39.524 38.000 0.203 0.000 1.407 137 I HN 0.261 nan 8.210 nan 0.000 0.497 138 V N 7.719 127.804 119.914 0.286 0.000 2.465 138 V HA 0.314 4.435 4.120 0.000 0.000 0.279 138 V C 0.116 176.470 176.094 0.433 0.000 1.045 138 V CA -0.502 61.978 62.300 0.301 0.000 0.938 138 V CB 1.694 33.567 31.823 0.083 0.000 0.986 138 V HN 0.421 nan 8.190 nan 0.000 0.467 139 V N 4.099 124.259 119.914 0.410 0.000 2.483 139 V HA 0.586 4.706 4.120 0.000 0.000 0.297 139 V C 0.080 176.452 176.094 0.463 0.000 1.027 139 V CA -0.497 62.054 62.300 0.418 0.000 0.855 139 V CB 1.991 33.986 31.823 0.286 0.000 0.995 139 V HN 1.008 nan 8.190 nan 0.000 0.424 140 T N 1.963 116.834 114.554 0.528 0.000 2.912 140 T HA 0.920 5.271 4.350 0.000 0.000 0.288 140 T C -0.798 174.208 174.700 0.511 0.000 1.030 140 T CA -0.620 61.797 62.100 0.529 0.000 1.020 140 T CB 2.125 71.284 68.868 0.485 0.000 1.056 140 T HN 0.829 nan 8.240 nan 0.000 0.480 141 F N -0.596 119.540 119.950 0.310 0.000 2.645 141 F HA 0.761 5.288 4.527 0.000 0.000 0.310 141 F C -1.297 174.798 175.800 0.490 0.000 1.102 141 F CA -1.343 56.818 58.000 0.269 0.000 0.952 141 F CB 0.993 39.974 39.000 -0.032 0.000 1.326 141 F HN 0.437 nan 8.300 nan 0.000 0.456 142 N N 0.920 119.935 118.700 0.526 0.000 2.492 142 N HA 0.538 5.278 4.740 0.000 0.000 0.289 142 N C -1.563 174.332 175.510 0.642 0.000 1.133 142 N CA -0.274 53.107 53.050 0.552 0.000 0.961 142 N CB 1.414 40.160 38.487 0.432 0.000 1.186 142 N HN 0.800 nan 8.380 nan 0.000 0.493 143 Y N -2.052 118.437 120.300 0.314 0.000 2.581 143 Y HA 0.491 5.041 4.550 0.000 0.000 0.337 143 Y C -0.612 175.413 175.900 0.208 0.000 1.108 143 Y CA -1.239 57.023 58.100 0.270 0.000 1.033 143 Y CB 0.761 39.338 38.460 0.195 0.000 1.318 143 Y HN 0.246 nan 8.280 nan 0.000 0.459 144 R N 2.534 123.106 120.500 0.120 0.000 2.458 144 R HA 0.459 4.799 4.340 0.000 0.000 0.303 144 R C -0.031 176.146 176.300 -0.206 0.000 1.013 144 R CA -0.007 56.057 56.100 -0.059 0.000 1.026 144 R CB 0.520 30.788 30.300 -0.053 0.000 0.948 144 R HN 0.689 nan 8.270 nan 0.000 0.417 145 V N 0.374 120.207 119.914 -0.134 0.000 3.284 145 V HA 0.894 5.015 4.120 0.000 0.000 0.309 145 V C 0.760 176.893 176.094 0.066 0.000 1.190 145 V CA -0.198 62.129 62.300 0.045 0.000 1.038 145 V CB 1.085 32.964 31.823 0.093 0.000 1.198 145 V HN 0.957 nan 8.190 nan 0.000 0.465 146 G N 0.307 109.245 108.800 0.230 0.000 2.749 146 G HA2 -0.155 3.805 3.960 0.000 0.000 0.242 146 G HA3 -0.155 3.805 3.960 0.000 0.000 0.242 146 G C -1.611 173.252 174.900 -0.062 0.000 1.364 146 G CA 0.211 45.389 45.100 0.130 0.000 0.888 146 G HN 0.783 nan 8.290 nan 0.000 0.566 147 P HA -0.110 nan 4.420 nan 0.000 0.216 147 P C 2.218 179.367 177.300 -0.252 0.000 1.154 147 P CA 1.997 64.648 63.100 -0.748 0.000 0.865 147 P CB -0.104 31.076 31.700 -0.867 0.000 0.789 148 L N -1.716 119.397 121.223 -0.182 0.000 2.187 148 L HA -0.073 4.267 4.340 0.000 0.000 0.213 148 L C 2.536 179.343 176.870 -0.106 0.000 1.100 148 L CA 2.136 56.903 54.840 -0.121 0.000 0.765 148 L CB -1.862 40.130 42.059 -0.112 0.000 0.904 148 L HN 0.019 nan 8.230 nan 0.000 0.437 149 G N -0.862 107.803 108.800 -0.225 0.000 2.408 149 G HA2 -0.084 3.876 3.960 0.000 0.000 0.213 149 G HA3 -0.084 3.876 3.960 0.000 0.000 0.213 149 G C 0.786 175.168 174.900 -0.864 0.000 1.177 149 G CA 0.265 44.987 45.100 -0.631 0.000 0.802 149 G HN 0.406 nan 8.290 nan 0.000 0.533 150 F N -0.322 119.737 119.950 0.181 0.000 2.815 150 F HA 0.448 4.976 4.527 0.001 0.000 0.335 150 F C -0.033 175.853 175.800 0.142 0.000 1.179 150 F CA -1.163 56.894 58.000 0.095 0.000 1.204 150 F CB 0.245 39.250 39.000 0.009 0.000 1.050 150 F HN -0.087 nan 8.300 nan 0.000 0.510 151 L N 1.442 122.835 121.223 0.283 0.000 2.455 151 L HA 0.493 4.833 4.340 0.000 0.000 0.272 151 L C 0.233 177.262 176.870 0.264 0.000 1.174 151 L CA 0.524 55.545 54.840 0.301 0.000 0.869 151 L CB 0.607 42.761 42.059 0.158 0.000 1.130 151 L HN 0.147 nan 8.230 nan 0.000 0.474 152 S N 1.568 117.411 115.700 0.238 0.000 2.556 152 S HA 0.563 5.034 4.470 0.000 0.000 0.271 152 S C 0.466 175.162 174.600 0.160 0.000 1.135 152 S CA 0.045 58.342 58.200 0.163 0.000 0.858 152 S CB 1.569 64.828 63.200 0.098 0.000 1.114 152 S HN 0.818 nan 8.310 nan 0.000 0.468 153 T N 0.019 114.650 114.554 0.127 0.000 3.069 153 T HA 0.457 4.807 4.350 0.000 0.000 0.252 153 T C 1.443 176.198 174.700 0.092 0.000 1.053 153 T CA 0.806 62.972 62.100 0.109 0.000 0.964 153 T CB 0.218 69.141 68.868 0.091 0.000 1.005 153 T HN 1.723 nan 8.240 nan 0.000 0.532 154 G N 2.098 110.950 108.800 0.087 0.000 2.299 154 G HA2 -0.206 3.754 3.960 0.000 0.000 0.237 154 G HA3 -0.206 3.754 3.960 0.000 0.000 0.237 154 G C -0.278 174.659 174.900 0.061 0.000 1.027 154 G CA 0.183 45.326 45.100 0.072 0.000 0.619 154 G HN 0.866 nan 8.290 nan 0.000 0.513 155 D N -0.628 119.810 120.400 0.063 0.000 2.533 155 D HA 0.658 5.298 4.640 0.000 0.000 0.247 155 D C 1.151 177.490 176.300 0.064 0.000 1.056 155 D CA 0.039 54.074 54.000 0.058 0.000 1.054 155 D CB 0.481 41.311 40.800 0.050 0.000 1.400 155 D HN -0.013 nan 8.370 nan 0.000 0.533 156 S N -0.673 115.064 115.700 0.060 0.000 2.481 156 S HA -0.232 4.238 4.470 0.000 0.000 0.253 156 S C 1.118 175.756 174.600 0.064 0.000 0.998 156 S CA 1.230 59.468 58.200 0.063 0.000 0.972 156 S CB -0.883 62.349 63.200 0.054 0.000 0.751 156 S HN 0.497 nan 8.310 nan 0.000 0.515 157 N N 0.104 118.841 118.700 0.062 0.000 2.459 157 N HA 0.150 4.890 4.740 0.000 0.000 0.181 157 N C 0.010 175.569 175.510 0.082 0.000 1.046 157 N CA 0.454 53.540 53.050 0.059 0.000 0.904 157 N CB 0.249 38.766 38.487 0.051 0.000 0.964 157 N HN 0.161 nan 8.380 nan 0.000 0.444 158 L N -1.121 120.167 121.223 0.109 0.000 2.315 158 L HA 0.199 4.539 4.340 0.000 0.000 0.261 158 L C -2.484 174.474 176.870 0.148 0.000 1.410 158 L CA -0.565 54.379 54.840 0.172 0.000 0.758 158 L CB 1.102 43.258 42.059 0.161 0.000 0.922 158 L HN -0.209 nan 8.230 nan 0.000 0.537 159 P HA -0.001 nan 4.420 nan 0.000 0.217 159 P C 0.921 178.174 177.300 -0.078 0.000 1.148 159 P CA 1.947 65.069 63.100 0.037 0.000 0.834 159 P CB 0.123 31.864 31.700 0.068 0.000 0.783 160 G N -1.762 106.833 108.800 -0.342 0.000 2.660 160 G HA2 -0.204 3.756 3.960 0.000 0.000 0.215 160 G HA3 -0.204 3.756 3.960 0.000 0.000 0.215 160 G C -0.310 174.192 174.900 -0.663 0.000 1.345 160 G CA -0.209 44.543 45.100 -0.579 0.000 0.877 160 G HN 0.149 nan 8.290 nan 0.000 0.549 161 N N -1.883 116.666 118.700 -0.252 0.000 2.741 161 N HA -0.198 4.542 4.740 0.000 0.000 0.250 161 N C 0.833 176.361 175.510 0.031 0.000 1.115 161 N CA 1.840 54.913 53.050 0.037 0.000 0.724 161 N CB -1.495 36.983 38.487 -0.015 0.000 1.090 161 N HN 0.685 nan 8.380 nan 0.000 0.558 162 Y N -0.321 120.079 120.300 0.166 0.000 2.145 162 Y HA -0.026 4.524 4.550 0.000 0.000 0.286 162 Y C 2.609 178.571 175.900 0.102 0.000 1.145 162 Y CA 1.510 59.684 58.100 0.123 0.000 1.148 162 Y CB -0.848 37.584 38.460 -0.047 0.000 0.981 162 Y HN 0.232 nan 8.280 nan 0.000 0.507 163 G N 0.672 109.462 108.800 -0.016 0.000 2.513 163 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 163 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 163 G C 1.717 176.890 174.900 0.455 0.000 1.160 163 G CA 1.487 46.698 45.100 0.187 0.000 0.767 163 G HN 0.358 nan 8.290 nan 0.000 0.571 164 L N -1.443 120.034 121.223 0.422 0.000 2.012 164 L HA -0.112 4.228 4.340 0.000 0.000 0.210 164 L C 2.796 179.595 176.870 -0.117 0.000 1.073 164 L CA 1.424 56.348 54.840 0.139 0.000 0.748 164 L CB -0.601 41.480 42.059 0.037 0.000 0.891 164 L HN 0.348 nan 8.230 nan 0.000 0.431 165 W N 0.988 122.099 121.300 -0.314 0.000 2.318 165 W HA -0.242 4.419 4.660 0.001 0.000 0.313 165 W C 2.458 178.999 176.519 0.037 0.000 1.221 165 W CA 1.138 58.299 57.345 -0.305 0.000 1.266 165 W CB -0.335 28.980 29.460 -0.241 0.000 1.150 165 W HN 0.218 nan 8.180 nan 0.000 0.496 166 D N -0.297 120.344 120.400 0.402 0.000 2.106 166 D HA -0.231 4.409 4.640 0.000 0.000 0.191 166 D C 1.959 178.521 176.300 0.437 0.000 0.997 166 D CA 1.730 56.014 54.000 0.472 0.000 0.834 166 D CB -0.904 40.206 40.800 0.516 0.000 0.956 166 D HN 0.334 nan 8.370 nan 0.000 0.448 167 Q N -0.466 119.551 119.800 0.362 0.000 2.077 167 Q HA -0.211 4.129 4.340 0.000 0.000 0.206 167 Q C 2.232 178.194 176.000 -0.063 0.000 0.989 167 Q CA 1.417 57.326 55.803 0.176 0.000 0.853 167 Q CB -0.363 28.473 28.738 0.163 0.000 0.907 167 Q HN 0.569 nan 8.270 nan 0.000 0.418 168 H N -0.198 118.888 119.070 0.026 0.000 2.422 168 H HA -0.148 4.408 4.556 0.000 0.000 0.298 168 H C 1.930 177.288 175.328 0.050 0.000 1.098 168 H CA 1.416 57.497 56.048 0.056 0.000 1.315 168 H CB 0.202 30.041 29.762 0.128 0.000 1.382 168 H HN 0.202 nan 8.280 nan 0.000 0.523 169 M N 0.883 120.462 119.600 -0.034 0.000 2.132 169 M HA -0.038 4.442 4.480 0.000 0.000 0.263 169 M C 2.633 178.862 176.300 -0.118 0.000 1.065 169 M CA 1.616 56.934 55.300 0.030 0.000 1.122 169 M CB -0.663 32.173 32.600 0.394 0.000 1.365 169 M HN 0.363 nan 8.290 nan 0.000 0.411 170 A N 0.080 122.523 122.820 -0.629 0.000 1.851 170 A HA -0.188 4.132 4.320 0.000 0.000 0.216 170 A C 2.195 179.445 177.584 -0.556 0.000 1.195 170 A CA 2.128 53.428 52.037 -1.229 0.000 0.622 170 A CB -1.195 16.457 19.000 -2.247 0.000 0.831 170 A HN 0.511 nan 8.150 nan 0.000 0.444 171 I N -0.060 120.211 120.570 -0.498 0.000 2.113 171 I HA -0.371 3.799 4.170 0.000 0.000 0.242 171 I C 2.987 179.028 176.117 -0.127 0.000 1.064 171 I CA 1.435 62.593 61.300 -0.236 0.000 1.320 171 I CB -0.389 37.526 38.000 -0.143 0.000 1.028 171 I HN 0.379 nan 8.210 nan 0.000 0.406 172 A N -0.349 122.360 122.820 -0.186 0.000 1.908 172 A HA -0.292 4.028 4.320 0.000 0.000 0.218 172 A C 2.130 179.719 177.584 0.008 0.000 1.181 172 A CA 1.807 53.779 52.037 -0.108 0.000 0.627 172 A CB -1.321 17.561 19.000 -0.197 0.000 0.818 172 A HN 0.692 nan 8.150 nan 0.000 0.445 173 W N 0.432 121.653 121.300 -0.133 0.000 2.358 173 W HA -0.153 4.507 4.660 -0.000 0.000 0.303 173 W C 1.849 178.324 176.519 -0.074 0.000 1.208 173 W CA 2.084 59.392 57.345 -0.060 0.000 1.274 173 W CB -0.046 29.409 29.460 -0.008 0.000 1.138 173 W HN 0.105 nan 8.180 nan 0.000 0.515 174 V N 1.157 121.246 119.914 0.293 0.000 2.913 174 V HA -0.239 3.881 4.120 0.000 0.000 0.260 174 V C 2.092 178.198 176.094 0.019 0.000 1.098 174 V CA 2.018 64.437 62.300 0.197 0.000 1.121 174 V CB -0.994 30.910 31.823 0.134 0.000 0.714 174 V HN 0.114 nan 8.190 nan 0.000 0.487 175 K N 0.925 121.313 120.400 -0.020 0.000 2.044 175 K HA -0.053 4.267 4.320 0.000 0.000 0.204 175 K C 2.251 178.795 176.600 -0.092 0.000 1.049 175 K CA 1.342 57.606 56.287 -0.037 0.000 0.945 175 K CB -0.214 32.272 32.500 -0.024 0.000 0.724 175 K HN 0.316 nan 8.250 nan 0.000 0.440 176 R N 0.253 120.657 120.500 -0.161 0.000 2.061 176 R HA 0.042 4.382 4.340 0.000 0.000 0.230 176 R C 0.776 176.883 176.300 -0.321 0.000 1.140 176 R CA 1.463 57.425 56.100 -0.231 0.000 0.940 176 R CB -0.335 29.799 30.300 -0.276 0.000 0.839 176 R HN 0.243 nan 8.270 nan 0.000 0.429 177 N N 0.648 119.012 118.700 -0.560 0.000 2.378 177 N HA 0.022 4.762 4.740 0.000 0.000 0.243 177 N C 0.561 175.920 175.510 -0.253 0.000 1.137 177 N CA 0.215 52.898 53.050 -0.612 0.000 0.862 177 N CB 0.850 38.530 38.487 -1.345 0.000 1.116 177 N HN 0.146 nan 8.380 nan 0.000 0.499 178 I N 0.477 120.996 120.570 -0.084 0.000 3.526 178 I HA 0.017 4.188 4.170 0.000 0.000 0.294 178 I C 2.142 178.363 176.117 0.172 0.000 1.229 178 I CA 0.629 61.985 61.300 0.094 0.000 1.408 178 I CB 0.265 38.301 38.000 0.060 0.000 1.127 178 I HN -0.095 nan 8.210 nan 0.000 0.439 179 E N 1.407 121.652 120.200 0.075 0.000 2.118 179 E HA -0.205 4.145 4.350 0.000 0.000 0.195 179 E C 2.162 178.820 176.600 0.097 0.000 0.992 179 E CA 1.724 58.169 56.400 0.074 0.000 0.804 179 E CB -0.328 29.384 29.700 0.021 0.000 0.741 179 E HN 0.476 nan 8.360 nan 0.000 0.458 180 A N -0.732 122.128 122.820 0.067 0.000 2.019 180 A HA -0.099 4.221 4.320 0.000 0.000 0.219 180 A C 1.699 179.261 177.584 -0.035 0.000 1.164 180 A CA 1.151 53.176 52.037 -0.020 0.000 0.644 180 A CB -0.679 18.236 19.000 -0.143 0.000 0.805 180 A HN 0.359 nan 8.150 nan 0.000 0.449 181 F N -1.162 118.815 119.950 0.046 0.000 2.765 181 F HA 0.343 4.870 4.527 0.000 0.000 0.302 181 F C 1.858 177.740 175.800 0.138 0.000 1.111 181 F CA 0.702 58.767 58.000 0.109 0.000 1.359 181 F CB 0.256 39.335 39.000 0.132 0.000 1.097 181 F HN 0.357 nan 8.300 nan 0.000 0.577 182 G N -0.039 108.919 108.800 0.263 0.000 2.159 182 G HA2 -0.167 3.793 3.960 0.000 0.000 0.227 182 G HA3 -0.167 3.793 3.960 0.000 0.000 0.227 182 G C 0.678 175.679 174.900 0.169 0.000 0.986 182 G CA -0.295 44.927 45.100 0.204 0.000 0.651 182 G HN 0.707 nan 8.290 nan 0.000 0.523 183 G N -0.650 108.256 108.800 0.177 0.000 2.562 183 G HA2 0.470 4.430 3.960 0.000 0.000 0.275 183 G HA3 0.470 4.430 3.960 0.000 0.000 0.275 183 G C -0.762 174.187 174.900 0.082 0.000 1.196 183 G CA 0.260 45.434 45.100 0.124 0.000 0.908 183 G HN 0.197 nan 8.290 nan 0.000 0.524 184 D N 0.302 120.735 120.400 0.055 0.000 2.443 184 D HA 0.349 4.989 4.640 0.000 0.000 0.221 184 D C -1.385 174.932 176.300 0.029 0.000 1.097 184 D CA -2.181 51.839 54.000 0.034 0.000 0.865 184 D CB 1.760 42.570 40.800 0.016 0.000 1.034 184 D HN -0.091 nan 8.370 nan 0.000 0.511 185 P HA -0.128 nan 4.420 nan 0.000 0.216 185 P C 0.106 177.411 177.300 0.009 0.000 1.157 185 P CA 1.093 64.200 63.100 0.011 0.000 0.880 185 P CB 0.259 31.958 31.700 -0.001 0.000 0.791 186 D N -1.179 119.225 120.400 0.006 0.000 2.663 186 D HA 0.035 4.675 4.640 0.000 0.000 0.243 186 D C 0.293 176.591 176.300 -0.003 0.000 1.218 186 D CA 0.484 54.485 54.000 0.002 0.000 0.846 186 D CB -0.805 39.995 40.800 0.000 0.000 1.014 186 D HN 0.135 nan 8.370 nan 0.000 0.476 187 N N 1.036 119.738 118.700 0.002 0.000 2.639 187 N HA 0.114 4.854 4.740 0.000 0.000 0.265 187 N C -1.171 174.345 175.510 0.010 0.000 1.689 187 N CA -0.236 52.809 53.050 -0.008 0.000 0.813 187 N CB 0.111 38.590 38.487 -0.014 0.000 1.353 187 N HN -0.018 nan 8.380 nan 0.000 0.510 188 I N 0.593 121.175 120.570 0.020 0.000 2.365 188 I HA 0.298 4.469 4.170 0.000 0.000 0.291 188 I C 0.121 176.274 176.117 0.061 0.000 1.004 188 I CA -0.191 61.140 61.300 0.050 0.000 1.311 188 I CB 1.523 39.552 38.000 0.048 0.000 1.401 188 I HN 0.027 nan 8.210 nan 0.000 0.491 189 T N 7.000 121.620 114.554 0.111 0.000 2.791 189 T HA 0.403 4.753 4.350 0.000 0.000 0.288 189 T C -0.267 174.604 174.700 0.285 0.000 0.999 189 T CA -0.499 61.692 62.100 0.152 0.000 0.952 189 T CB 0.994 69.931 68.868 0.116 0.000 0.938 189 T HN 0.177 nan 8.240 nan 0.000 0.444 190 L N 5.296 126.675 121.223 0.261 0.000 2.292 190 L HA 0.674 5.015 4.340 0.000 0.000 0.284 190 L C -0.469 176.661 176.870 0.433 0.000 1.065 190 L CA -0.370 54.640 54.840 0.284 0.000 0.806 190 L CB 0.537 42.688 42.059 0.154 0.000 1.175 190 L HN 0.750 nan 8.230 nan 0.000 0.431 191 F N 0.918 120.997 119.950 0.214 0.000 2.628 191 F HA 0.829 5.356 4.527 0.000 0.000 0.309 191 F C -0.424 175.521 175.800 0.243 0.000 1.108 191 F CA -0.848 57.312 58.000 0.268 0.000 0.971 191 F CB 1.853 41.067 39.000 0.357 0.000 1.279 191 F HN 0.512 nan 8.300 nan 0.000 0.441 192 G N 2.102 110.992 108.800 0.148 0.000 2.556 192 G HA2 0.410 4.370 3.960 0.000 0.000 0.294 192 G HA3 0.410 4.370 3.960 0.000 0.000 0.294 192 G C -2.482 172.360 174.900 -0.096 0.000 1.516 192 G CA -0.864 43.991 45.100 -0.408 0.000 0.824 192 G HN 0.916 nan 8.290 nan 0.000 0.535 193 E N 0.717 120.807 120.200 -0.183 0.000 2.280 193 E HA 0.620 4.970 4.350 0.000 0.000 0.261 193 E C 1.110 177.716 176.600 0.010 0.000 1.088 193 E CA 0.355 56.792 56.400 0.061 0.000 0.915 193 E CB 1.423 31.229 29.700 0.176 0.000 1.141 193 E HN 0.551 nan 8.360 nan 0.000 0.433 194 S N 0.562 116.344 115.700 0.137 0.000 4.106 194 S HA -0.387 4.083 4.470 0.000 0.000 0.541 194 S C 1.444 176.190 174.600 0.244 0.000 1.846 194 S CA 1.776 60.126 58.200 0.251 0.000 4.137 194 S CB -1.514 61.784 63.200 0.165 0.000 0.892 194 S HN 0.847 nan 8.310 nan 0.000 0.535 195 A N 0.947 123.792 122.820 0.042 0.000 1.958 195 A HA -0.033 4.287 4.320 0.000 0.000 0.221 195 A C 2.343 179.725 177.584 -0.337 0.000 1.178 195 A CA 2.743 54.596 52.037 -0.307 0.000 0.642 195 A CB -1.575 16.945 19.000 -0.799 0.000 0.816 195 A HN 1.242 nan 8.150 nan 0.000 0.453 196 G N -0.775 107.866 108.800 -0.265 0.000 2.421 196 G HA2 0.033 3.993 3.960 0.000 0.000 0.216 196 G HA3 0.033 3.993 3.960 0.000 0.000 0.216 196 G C 1.556 176.357 174.900 -0.165 0.000 1.171 196 G CA 1.234 46.126 45.100 -0.347 0.000 0.775 196 G HN 0.735 nan 8.290 nan 0.000 0.543 197 G N 1.140 109.933 108.800 -0.013 0.000 2.440 197 G HA2 0.013 3.973 3.960 0.000 0.000 0.218 197 G HA3 0.013 3.973 3.960 0.000 0.000 0.218 197 G C 2.052 177.023 174.900 0.118 0.000 1.154 197 G CA 1.591 46.758 45.100 0.113 0.000 0.767 197 G HN 0.663 nan 8.290 nan 0.000 0.552 198 A N 0.563 123.467 122.820 0.140 0.000 1.972 198 A HA 0.062 4.382 4.320 0.000 0.000 0.219 198 A C 2.691 180.315 177.584 0.068 0.000 1.169 198 A CA 2.180 54.270 52.037 0.089 0.000 0.635 198 A CB -0.430 18.642 19.000 0.119 0.000 0.810 198 A HN 0.317 nan 8.150 nan 0.000 0.446 199 S N -0.324 115.398 115.700 0.036 0.000 2.371 199 S HA -0.100 4.370 4.470 0.000 0.000 0.224 199 S C 1.908 176.493 174.600 -0.026 0.000 1.029 199 S CA 1.285 59.490 58.200 0.008 0.000 0.978 199 S CB -0.466 62.651 63.200 -0.138 0.000 0.833 199 S HN 0.374 nan 8.310 nan 0.000 0.466 200 V N 2.241 122.140 119.914 -0.025 0.000 2.255 200 V HA -0.217 3.903 4.120 0.000 0.000 0.247 200 V C 2.443 178.512 176.094 -0.042 0.000 1.051 200 V CA 2.133 64.436 62.300 0.005 0.000 1.018 200 V CB -1.268 30.611 31.823 0.093 0.000 0.641 200 V HN 0.433 nan 8.190 nan 0.000 0.445 201 S N 0.454 116.133 115.700 -0.036 0.000 2.351 201 S HA -0.190 4.280 4.470 0.000 0.000 0.220 201 S C 1.972 176.443 174.600 -0.216 0.000 1.035 201 S CA 1.854 59.969 58.200 -0.142 0.000 1.031 201 S CB -0.602 62.570 63.200 -0.047 0.000 0.928 201 S HN 0.455 nan 8.310 nan 0.000 0.433 202 L N 1.509 122.643 121.223 -0.148 0.000 2.043 202 L HA -0.214 4.127 4.340 0.000 0.000 0.212 202 L C 2.919 179.640 176.870 -0.248 0.000 1.075 202 L CA 1.171 55.900 54.840 -0.185 0.000 0.752 202 L CB -0.618 41.392 42.059 -0.081 0.000 0.891 202 L HN 0.334 nan 8.230 nan 0.000 0.432 203 Q N -0.426 119.279 119.800 -0.159 0.000 2.084 203 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 203 Q C 2.339 178.208 176.000 -0.219 0.000 0.978 203 Q CA 2.227 57.936 55.803 -0.156 0.000 0.844 203 Q CB -0.745 27.974 28.738 -0.032 0.000 0.898 203 Q HN 0.671 nan 8.270 nan 0.000 0.426 204 T N -0.178 114.243 114.554 -0.222 0.000 2.777 204 T HA -0.065 4.285 4.350 0.000 0.000 0.266 204 T C 2.128 176.639 174.700 -0.315 0.000 1.040 204 T CA 0.863 62.817 62.100 -0.242 0.000 1.141 204 T CB -0.493 68.204 68.868 -0.286 0.000 0.868 204 T HN 0.119 nan 8.240 nan 0.000 0.444 205 L N 1.273 122.255 121.223 -0.401 0.000 2.141 205 L HA 0.080 4.420 4.340 0.000 0.000 0.209 205 L C 1.858 178.482 176.870 -0.410 0.000 1.094 205 L CA 0.323 54.894 54.840 -0.449 0.000 0.763 205 L CB -0.493 41.252 42.059 -0.523 0.000 0.908 205 L HN 0.247 nan 8.230 nan 0.000 0.437 206 S N 0.877 116.286 115.700 -0.485 0.000 2.516 206 S HA 0.100 4.570 4.470 0.000 0.000 0.282 206 S C -1.224 173.107 174.600 -0.448 0.000 1.286 206 S CA -1.333 56.487 58.200 -0.634 0.000 1.066 206 S CB 0.719 63.162 63.200 -1.261 0.000 0.884 206 S HN 0.029 nan 8.310 nan 0.000 0.491 207 P HA -0.066 nan 4.420 nan 0.000 0.234 207 P C 0.424 177.544 177.300 -0.299 0.000 1.167 207 P CA 0.804 63.725 63.100 -0.298 0.000 0.763 207 P CB -0.059 31.466 31.700 -0.292 0.000 0.835 208 Y N 0.921 121.023 120.300 -0.330 0.000 2.395 208 Y HA 0.011 4.561 4.550 -0.000 0.000 0.293 208 Y C 1.603 177.411 175.900 -0.153 0.000 1.123 208 Y CA 0.973 58.920 58.100 -0.255 0.000 1.227 208 Y CB -0.615 37.600 38.460 -0.409 0.000 1.012 208 Y HN -0.026 nan 8.280 nan 0.000 0.552 209 N N 0.315 119.001 118.700 -0.024 0.000 2.346 209 N HA 0.003 4.743 4.740 0.000 0.000 0.225 209 N C 1.353 176.871 175.510 0.013 0.000 1.144 209 N CA 0.039 53.133 53.050 0.073 0.000 0.837 209 N CB 0.055 38.565 38.487 0.039 0.000 1.069 209 N HN 0.102 nan 8.380 nan 0.000 0.487 210 K N 1.385 121.775 120.400 -0.015 0.000 2.008 210 K HA -0.204 4.116 4.320 0.000 0.000 0.231 210 K C 1.279 177.869 176.600 -0.018 0.000 1.031 210 K CA 2.213 58.479 56.287 -0.036 0.000 0.995 210 K CB -0.899 31.583 32.500 -0.030 0.000 0.747 210 K HN 0.301 nan 8.250 nan 0.000 0.447 211 G N -1.190 107.615 108.800 0.008 0.000 3.899 211 G HA2 0.293 4.253 3.960 0.000 0.000 0.293 211 G HA3 0.293 4.253 3.960 0.000 0.000 0.293 211 G C 0.812 175.723 174.900 0.017 0.000 1.054 211 G CA -0.221 44.883 45.100 0.007 0.000 0.846 211 G HN 0.225 nan 8.290 nan 0.000 0.525 212 L N -0.305 120.937 121.223 0.030 0.000 2.221 212 L HA 0.400 4.740 4.340 0.000 0.000 0.202 212 L C 0.906 177.790 176.870 0.024 0.000 1.074 212 L CA 0.450 55.310 54.840 0.034 0.000 0.795 212 L CB -0.122 41.974 42.059 0.062 0.000 0.960 212 L HN 0.095 nan 8.230 nan 0.000 0.458 213 I N 0.485 121.066 120.570 0.018 0.000 2.396 213 I HA 0.073 4.243 4.170 0.000 0.000 0.292 213 I C 0.836 176.958 176.117 0.008 0.000 0.999 213 I CA -0.010 61.301 61.300 0.017 0.000 1.310 213 I CB 1.588 39.596 38.000 0.012 0.000 1.404 213 I HN -0.043 nan 8.210 nan 0.000 0.496 214 K N 4.621 125.026 120.400 0.008 0.000 2.344 214 K HA 0.272 4.592 4.320 0.000 0.000 0.200 214 K C 0.262 176.849 176.600 -0.022 0.000 1.132 214 K CA 0.774 57.053 56.287 -0.013 0.000 0.935 214 K CB 0.587 33.069 32.500 -0.030 0.000 1.089 214 K HN 0.371 nan 8.250 nan 0.000 0.496 215 R N -0.228 120.263 120.500 -0.015 0.000 2.854 215 R HA 0.753 5.093 4.340 0.000 0.000 0.271 215 R C -1.207 175.179 176.300 0.145 0.000 0.994 215 R CA -0.841 55.254 56.100 -0.008 0.000 0.945 215 R CB 1.646 31.818 30.300 -0.213 0.000 1.194 215 R HN 0.115 nan 8.270 nan 0.000 0.476 216 A N 1.412 124.415 122.820 0.306 0.000 2.520 216 A HA 0.750 5.070 4.320 0.000 0.000 0.298 216 A C -1.135 176.695 177.584 0.410 0.000 1.051 216 A CA -0.659 51.574 52.037 0.327 0.000 0.690 216 A CB 1.417 20.541 19.000 0.208 0.000 1.281 216 A HN 0.590 nan 8.150 nan 0.000 0.402 217 I N 1.970 122.728 120.570 0.312 0.000 2.503 217 I HA 0.257 4.427 4.170 0.000 0.000 0.282 217 I C -0.220 176.039 176.117 0.236 0.000 1.059 217 I CA -0.151 61.225 61.300 0.126 0.000 1.081 217 I CB 2.108 40.039 38.000 -0.115 0.000 1.210 217 I HN 0.532 nan 8.210 nan 0.000 0.450 218 S N 5.641 121.463 115.700 0.202 0.000 2.541 218 S HA 0.588 5.058 4.470 0.000 0.000 0.283 218 S C -0.573 174.164 174.600 0.227 0.000 1.196 218 S CA -0.644 57.695 58.200 0.231 0.000 1.062 218 S CB 1.483 64.847 63.200 0.273 0.000 1.009 218 S HN 0.499 nan 8.310 nan 0.000 0.502 219 Q N 0.771 120.740 119.800 0.282 0.000 2.271 219 Q HA 0.442 4.782 4.340 0.000 0.000 0.268 219 Q C -0.395 175.762 176.000 0.261 0.000 1.021 219 Q CA -0.662 55.348 55.803 0.344 0.000 0.802 219 Q CB 1.862 30.893 28.738 0.489 0.000 1.282 219 Q HN 0.664 nan 8.270 nan 0.000 0.431 220 S N 0.545 116.368 115.700 0.206 0.000 3.533 220 S HA -0.178 4.292 4.470 0.000 0.000 0.347 220 S C 0.009 174.940 174.600 0.552 0.000 1.101 220 S CA 0.942 59.267 58.200 0.208 0.000 1.009 220 S CB -0.950 62.285 63.200 0.059 0.000 0.916 220 S HN 0.978 nan 8.310 nan 0.000 0.496 221 G N -1.066 108.043 108.800 0.514 0.000 2.476 221 G HA2 0.489 4.449 3.960 0.000 0.000 0.309 221 G HA3 0.489 4.449 3.960 0.000 0.000 0.309 221 G C -1.595 173.488 174.900 0.305 0.000 1.575 221 G CA 0.079 45.553 45.100 0.624 0.000 0.913 221 G HN 0.739 nan 8.290 nan 0.000 0.623 222 V N 1.578 121.572 119.914 0.132 0.000 3.087 222 V HA 0.746 4.866 4.120 0.000 0.000 0.306 222 V C 1.434 177.452 176.094 -0.127 0.000 1.187 222 V CA 0.526 62.857 62.300 0.051 0.000 0.999 222 V CB 2.074 33.961 31.823 0.106 0.000 1.049 222 V HN 1.519 nan 8.190 nan 0.000 0.431 223 G N 3.343 112.092 108.800 -0.084 0.000 2.507 223 G HA2 -0.188 3.772 3.960 0.000 0.000 0.221 223 G HA3 -0.188 3.772 3.960 0.000 0.000 0.221 223 G C 0.965 175.744 174.900 -0.201 0.000 1.119 223 G CA 1.284 46.292 45.100 -0.152 0.000 0.751 223 G HN 0.708 nan 8.290 nan 0.000 0.574 224 L N 0.560 121.703 121.223 -0.134 0.000 2.650 224 L HA 0.132 4.472 4.340 0.000 0.000 0.235 224 L C 0.764 177.459 176.870 -0.291 0.000 1.149 224 L CA -0.783 53.964 54.840 -0.155 0.000 0.887 224 L CB -0.643 41.375 42.059 -0.068 0.000 1.021 224 L HN 0.127 nan 8.230 nan 0.000 0.441 225 C N 1.244 120.259 119.300 -0.476 0.000 2.605 225 C HA 0.136 4.596 4.460 0.000 0.000 0.404 225 C C 0.019 174.559 174.990 -0.749 0.000 1.284 225 C CA -1.081 57.494 59.018 -0.738 0.000 2.199 225 C CB 0.978 27.909 27.740 -1.349 0.000 2.647 225 C HN 0.238 nan 8.230 nan 0.000 0.604 226 P HA -0.142 nan 4.420 nan 0.000 0.215 226 P C 1.445 178.521 177.300 -0.373 0.000 1.157 226 P CA 2.048 64.906 63.100 -0.403 0.000 0.874 226 P CB -0.209 31.305 31.700 -0.310 0.000 0.790 227 W N -0.129 121.014 121.300 -0.262 0.000 2.699 227 W HA 0.335 4.995 4.660 0.000 0.000 0.249 227 W C 1.304 177.738 176.519 -0.142 0.000 1.280 227 W CA 0.484 57.696 57.345 -0.222 0.000 1.345 227 W CB -1.614 27.685 29.460 -0.268 0.000 1.128 227 W HN -0.094 nan 8.180 nan 0.000 0.642 228 A N 0.886 123.319 122.820 -0.645 0.000 2.259 228 A HA 0.292 4.612 4.320 0.000 0.000 0.208 228 A C 0.483 177.864 177.584 -0.339 0.000 1.201 228 A CA 0.586 52.354 52.037 -0.449 0.000 0.824 228 A CB -0.320 18.287 19.000 -0.656 0.000 0.838 228 A HN 0.142 nan 8.150 nan 0.000 0.485 229 I N -0.999 119.395 120.570 -0.293 0.000 2.743 229 I HA 0.205 4.375 4.170 0.000 0.000 0.292 229 I C -1.135 174.871 176.117 -0.184 0.000 1.343 229 I CA -0.541 60.611 61.300 -0.246 0.000 1.038 229 I CB 1.969 39.852 38.000 -0.194 0.000 1.311 229 I HN 0.106 nan 8.210 nan 0.000 0.426 230 Q N 4.443 124.148 119.800 -0.159 0.000 2.360 230 Q HA 0.317 4.658 4.340 0.000 0.000 0.254 230 Q C 0.504 176.501 176.000 -0.006 0.000 0.975 230 Q CA -0.016 55.737 55.803 -0.083 0.000 0.912 230 Q CB 1.247 29.925 28.738 -0.099 0.000 1.212 230 Q HN 0.382 nan 8.270 nan 0.000 0.452 231 Q N 2.077 121.897 119.800 0.032 0.000 2.123 231 Q HA -0.030 4.311 4.340 0.000 0.000 0.199 231 Q C -0.325 175.723 176.000 0.079 0.000 0.966 231 Q CA 0.991 56.818 55.803 0.040 0.000 0.845 231 Q CB 0.484 29.239 28.738 0.028 0.000 0.907 231 Q HN 0.594 nan 8.270 nan 0.000 0.439 232 D N -0.013 120.480 120.400 0.156 0.000 2.441 232 D HA 0.140 4.780 4.640 0.000 0.000 0.287 232 D C -1.815 174.674 176.300 0.315 0.000 1.198 232 D CA -1.959 52.146 54.000 0.175 0.000 0.894 232 D CB 1.097 41.955 40.800 0.096 0.000 1.070 232 D HN -0.073 nan 8.370 nan 0.000 0.499 233 P HA -0.135 nan 4.420 nan 0.000 0.216 233 P C 1.684 179.151 177.300 0.277 0.000 1.153 233 P CA 0.071 63.334 63.100 0.272 0.000 0.844 233 P CB 0.581 32.376 31.700 0.158 0.000 0.787 234 L N -0.461 120.877 121.223 0.192 0.000 2.261 234 L HA -0.116 4.224 4.340 0.000 0.000 0.216 234 L C 2.280 179.221 176.870 0.119 0.000 1.114 234 L CA 1.390 56.315 54.840 0.142 0.000 0.777 234 L CB -1.957 40.163 42.059 0.102 0.000 0.910 234 L HN -0.146 nan 8.230 nan 0.000 0.440 235 F N -1.604 118.346 119.950 0.001 0.000 2.186 235 F HA -0.210 4.318 4.527 0.000 0.000 0.299 235 F C 1.933 177.625 175.800 -0.180 0.000 1.090 235 F CA 1.569 59.469 58.000 -0.166 0.000 1.307 235 F CB -0.340 38.431 39.000 -0.381 0.000 1.019 235 F HN 0.120 nan 8.300 nan 0.000 0.489 236 W N 0.191 121.399 121.300 -0.155 0.000 2.640 236 W HA 0.189 4.849 4.660 0.000 0.000 0.268 236 W C 2.495 178.977 176.519 -0.061 0.000 1.263 236 W CA 0.976 58.178 57.345 -0.239 0.000 1.344 236 W CB -0.970 28.347 29.460 -0.238 0.000 1.093 236 W HN 0.175 nan 8.180 nan 0.000 0.603 237 A N 1.119 124.068 122.820 0.216 0.000 1.877 237 A HA -0.224 4.097 4.320 0.000 0.000 0.216 237 A C 1.992 179.624 177.584 0.079 0.000 1.186 237 A CA 1.818 53.965 52.037 0.184 0.000 0.620 237 A CB -0.754 18.338 19.000 0.153 0.000 0.822 237 A HN 0.179 nan 8.150 nan 0.000 0.443 238 K N -0.655 119.739 120.400 -0.010 0.000 2.103 238 K HA -0.169 4.151 4.320 0.000 0.000 0.207 238 K C 2.334 178.883 176.600 -0.085 0.000 1.048 238 K CA 1.572 57.823 56.287 -0.059 0.000 0.930 238 K CB -0.198 32.236 32.500 -0.109 0.000 0.716 238 K HN 0.416 nan 8.250 nan 0.000 0.444 239 R N 0.486 120.895 120.500 -0.152 0.000 2.070 239 R HA -0.077 4.263 4.340 0.000 0.000 0.233 239 R C 2.324 178.646 176.300 0.036 0.000 1.137 239 R CA 1.252 57.287 56.100 -0.108 0.000 0.945 239 R CB -0.302 29.907 30.300 -0.153 0.000 0.845 239 R HN 0.120 nan 8.270 nan 0.000 0.430 240 I N 0.988 121.634 120.570 0.126 0.000 2.208 240 I HA -0.262 3.909 4.170 0.000 0.000 0.245 240 I C 2.572 178.730 176.117 0.067 0.000 1.097 240 I CA 1.450 62.832 61.300 0.136 0.000 1.363 240 I CB -1.495 36.605 38.000 0.167 0.000 1.051 240 I HN 0.195 nan 8.210 nan 0.000 0.413 241 A N 1.028 123.878 122.820 0.050 0.000 1.849 241 A HA -0.252 4.068 4.320 0.000 0.000 0.217 241 A C 2.228 179.820 177.584 0.015 0.000 1.202 241 A CA 2.040 54.093 52.037 0.027 0.000 0.629 241 A CB -0.929 18.083 19.000 0.019 0.000 0.834 241 A HN 0.516 nan 8.150 nan 0.000 0.447 242 E N -0.378 119.824 120.200 0.003 0.000 2.171 242 E HA -0.231 4.119 4.350 0.000 0.000 0.197 242 E C 2.061 178.665 176.600 0.007 0.000 0.997 242 E CA 1.392 57.790 56.400 -0.002 0.000 0.810 242 E CB -0.188 29.502 29.700 -0.018 0.000 0.738 242 E HN 0.585 nan 8.360 nan 0.000 0.467 243 K N 0.521 120.933 120.400 0.019 0.000 2.062 243 K HA -0.066 4.254 4.320 0.000 0.000 0.205 243 K C 1.978 178.589 176.600 0.019 0.000 1.051 243 K CA 1.299 57.601 56.287 0.025 0.000 0.941 243 K CB 0.168 32.696 32.500 0.047 0.000 0.719 243 K HN 0.120 nan 8.250 nan 0.000 0.440 244 V N -1.730 118.196 119.914 0.019 0.000 3.499 244 V HA 0.314 4.434 4.120 0.000 0.000 0.308 244 V C 0.607 176.704 176.094 0.006 0.000 1.319 244 V CA 0.146 62.453 62.300 0.011 0.000 1.194 244 V CB -0.675 31.153 31.823 0.009 0.000 1.072 244 V HN 0.371 nan 8.190 nan 0.000 0.426 245 G N -0.074 108.729 108.800 0.006 0.000 2.366 245 G HA2 -0.254 3.706 3.960 0.000 0.000 0.299 245 G HA3 -0.254 3.706 3.960 0.000 0.000 0.299 245 G C 0.079 174.980 174.900 0.003 0.000 1.020 245 G CA 0.353 45.455 45.100 0.003 0.000 1.026 245 G HN 0.729 nan 8.290 nan 0.000 0.512 246 c N 0.663 119.265 118.600 0.005 0.000 2.401 246 c HA 0.756 5.327 4.570 0.000 0.000 0.356 246 c C -1.489 172.604 174.090 0.005 0.000 1.192 246 c CA -1.349 54.983 56.329 0.005 0.000 2.028 246 c CB 1.863 44.378 42.510 0.008 0.000 2.344 246 c HN 0.559 nan 8.230 nan 0.000 0.525 247 P HA 0.115 nan 4.420 nan 0.000 0.276 247 P C 0.310 177.614 177.300 0.007 0.000 1.264 247 P CA 0.341 63.444 63.100 0.005 0.000 0.769 247 P CB 0.657 32.360 31.700 0.005 0.000 0.840 248 V N 0.454 120.370 119.914 0.003 0.000 3.649 248 V HA -0.010 4.110 4.120 0.000 0.000 0.275 248 V C 0.999 177.096 176.094 0.005 0.000 1.281 248 V CA 0.933 63.234 62.300 0.002 0.000 1.143 248 V CB -1.276 30.542 31.823 -0.008 0.000 0.892 248 V HN 0.363 nan 8.190 nan 0.000 0.441 249 D N -0.234 120.170 120.400 0.006 0.000 2.336 249 D HA 0.236 4.876 4.640 0.000 0.000 0.229 249 D C 0.208 176.514 176.300 0.011 0.000 1.061 249 D CA 0.383 54.388 54.000 0.007 0.000 0.875 249 D CB 0.026 40.829 40.800 0.005 0.000 0.904 249 D HN 0.594 nan 8.370 nan 0.000 0.525 250 D N -1.592 118.816 120.400 0.014 0.000 2.687 250 D HA 0.021 4.662 4.640 0.000 0.000 0.213 250 D C 1.086 177.399 176.300 0.022 0.000 1.218 250 D CA 0.032 54.042 54.000 0.017 0.000 0.768 250 D CB 0.948 41.757 40.800 0.014 0.000 1.855 250 D HN -0.095 nan 8.370 nan 0.000 0.508 251 T N 0.145 114.715 114.554 0.027 0.000 2.635 251 T HA -0.194 4.157 4.350 0.000 0.000 0.267 251 T C 1.748 176.467 174.700 0.032 0.000 1.040 251 T CA 1.838 63.959 62.100 0.035 0.000 1.156 251 T CB -0.576 68.316 68.868 0.040 0.000 0.863 251 T HN 0.277 nan 8.240 nan 0.000 0.430 252 S N 2.101 117.817 115.700 0.027 0.000 2.365 252 S HA -0.140 4.330 4.470 0.000 0.000 0.225 252 S C 2.082 176.693 174.600 0.018 0.000 1.039 252 S CA 1.501 59.714 58.200 0.022 0.000 1.033 252 S CB -0.397 62.813 63.200 0.018 0.000 0.887 252 S HN 0.601 nan 8.310 nan 0.000 0.447 253 K N 0.773 121.182 120.400 0.016 0.000 2.057 253 K HA 0.008 4.328 4.320 0.000 0.000 0.207 253 K C 2.331 178.939 176.600 0.014 0.000 1.049 253 K CA 1.300 57.594 56.287 0.012 0.000 0.931 253 K CB -0.304 32.202 32.500 0.010 0.000 0.714 253 K HN 0.355 nan 8.250 nan 0.000 0.440 254 M N 0.529 120.141 119.600 0.020 0.000 2.084 254 M HA -0.212 4.268 4.480 0.000 0.000 0.259 254 M C 2.534 178.849 176.300 0.025 0.000 1.072 254 M CA 1.801 57.116 55.300 0.024 0.000 1.107 254 M CB -0.630 31.990 32.600 0.034 0.000 1.299 254 M HN 0.226 nan 8.290 nan 0.000 0.413 255 A N 0.931 123.770 122.820 0.032 0.000 1.870 255 A HA -0.201 4.119 4.320 0.000 0.000 0.219 255 A C 2.365 179.956 177.584 0.012 0.000 1.224 255 A CA 2.506 54.562 52.037 0.032 0.000 0.650 255 A CB -1.927 17.096 19.000 0.039 0.000 0.836 255 A HN 0.613 nan 8.150 nan 0.000 0.454 256 G N -1.483 107.322 108.800 0.008 0.000 2.545 256 G HA2 -0.379 3.582 3.960 0.000 0.000 0.222 256 G HA3 -0.379 3.582 3.960 0.000 0.000 0.222 256 G C 1.747 176.643 174.900 -0.006 0.000 1.126 256 G CA 1.516 46.615 45.100 -0.002 0.000 0.754 256 G HN 0.669 nan 8.290 nan 0.000 0.583 257 c N -0.022 118.578 118.600 -0.001 0.000 2.508 257 c HA 0.170 4.740 4.570 0.000 0.000 0.280 257 c C 3.007 177.093 174.090 -0.007 0.000 1.262 257 c CA 0.882 57.210 56.329 -0.003 0.000 1.706 257 c CB -1.147 41.365 42.510 0.003 0.000 2.078 257 c HN 0.443 nan 8.230 nan 0.000 0.480 258 L N 0.950 122.173 121.223 -0.001 0.000 2.043 258 L HA -0.221 4.119 4.340 0.000 0.000 0.212 258 L C 2.672 179.525 176.870 -0.027 0.000 1.075 258 L CA 1.907 56.744 54.840 -0.006 0.000 0.752 258 L CB -0.734 41.332 42.059 0.012 0.000 0.891 258 L HN 0.408 nan 8.230 nan 0.000 0.432 259 K N -0.035 120.344 120.400 -0.034 0.000 2.280 259 K HA -0.092 4.228 4.320 0.000 0.000 0.202 259 K C 1.930 178.498 176.600 -0.054 0.000 1.047 259 K CA 1.082 57.334 56.287 -0.059 0.000 0.942 259 K CB -0.080 32.382 32.500 -0.063 0.000 0.739 259 K HN 0.370 nan 8.250 nan 0.000 0.457 260 I N 0.912 121.459 120.570 -0.037 0.000 3.226 260 I HA -0.077 4.093 4.170 0.000 0.000 0.277 260 I C 0.386 176.485 176.117 -0.030 0.000 1.243 260 I CA 0.245 61.526 61.300 -0.032 0.000 1.459 260 I CB 0.031 38.017 38.000 -0.023 0.000 1.093 260 I HN 0.027 nan 8.210 nan 0.000 0.453 261 T N 0.635 115.172 114.554 -0.029 0.000 2.898 261 T HA -0.003 4.347 4.350 0.000 0.000 0.301 261 T C -0.031 174.650 174.700 -0.031 0.000 1.049 261 T CA -0.441 61.644 62.100 -0.026 0.000 1.095 261 T CB 0.879 69.735 68.868 -0.020 0.000 0.976 261 T HN 0.061 nan 8.240 nan 0.000 0.539 262 D N 2.484 122.869 120.400 -0.025 0.000 2.363 262 D HA 0.119 4.759 4.640 0.000 0.000 0.263 262 D C -1.495 174.787 176.300 -0.030 0.000 1.258 262 D CA -1.908 52.076 54.000 -0.026 0.000 0.907 262 D CB 0.824 41.613 40.800 -0.019 0.000 1.107 262 D HN 0.072 nan 8.370 nan 0.000 0.495 263 P HA -0.207 nan 4.420 nan 0.000 0.218 263 P C 1.051 178.331 177.300 -0.034 0.000 1.152 263 P CA 1.293 64.367 63.100 -0.043 0.000 0.857 263 P CB 0.223 31.897 31.700 -0.044 0.000 0.787 264 R N -0.685 119.800 120.500 -0.024 0.000 2.096 264 R HA -0.038 4.303 4.340 0.000 0.000 0.235 264 R C 2.276 178.566 176.300 -0.017 0.000 1.127 264 R CA 1.758 57.847 56.100 -0.018 0.000 0.968 264 R CB -1.573 28.719 30.300 -0.013 0.000 0.861 264 R HN 0.170 nan 8.270 nan 0.000 0.440 265 A N -0.005 122.805 122.820 -0.016 0.000 1.930 265 A HA -0.027 4.293 4.320 0.000 0.000 0.215 265 A C 1.944 179.522 177.584 -0.010 0.000 1.176 265 A CA 0.693 52.724 52.037 -0.010 0.000 0.632 265 A CB -0.371 18.624 19.000 -0.008 0.000 0.819 265 A HN 0.199 nan 8.150 nan 0.000 0.445 266 L N -0.237 120.972 121.223 -0.024 0.000 2.083 266 L HA -0.094 4.246 4.340 0.000 0.000 0.209 266 L C 2.497 179.331 176.870 -0.060 0.000 1.083 266 L CA 2.446 57.261 54.840 -0.041 0.000 0.752 266 L CB -0.715 41.309 42.059 -0.058 0.000 0.899 266 L HN 0.372 nan 8.230 nan 0.000 0.433 267 T N -0.936 113.590 114.554 -0.047 0.000 2.770 267 T HA -0.062 4.288 4.350 0.000 0.000 0.258 267 T C 1.760 176.467 174.700 0.012 0.000 1.039 267 T CA 1.063 63.142 62.100 -0.035 0.000 1.143 267 T CB -0.215 68.639 68.868 -0.023 0.000 0.866 267 T HN 0.200 nan 8.240 nan 0.000 0.428 268 L N 1.076 122.302 121.223 0.005 0.000 2.622 268 L HA 0.090 4.430 4.340 0.000 0.000 0.233 268 L C 2.593 179.483 176.870 0.034 0.000 1.156 268 L CA 0.034 54.880 54.840 0.009 0.000 0.866 268 L CB -0.440 41.613 42.059 -0.009 0.000 0.980 268 L HN 0.244 nan 8.230 nan 0.000 0.448 269 A N -0.631 122.226 122.820 0.062 0.000 1.929 269 A HA -0.183 4.137 4.320 0.000 0.000 0.216 269 A C 0.900 178.601 177.584 0.194 0.000 1.176 269 A CA 0.684 52.781 52.037 0.100 0.000 0.628 269 A CB -0.286 18.771 19.000 0.096 0.000 0.816 269 A HN 0.340 nan 8.150 nan 0.000 0.444 270 Y N 0.747 121.107 120.300 0.101 0.000 2.320 270 Y HA 0.529 5.079 4.550 0.000 0.000 0.334 270 Y C -0.033 175.949 175.900 0.136 0.000 1.055 270 Y CA -1.163 57.060 58.100 0.205 0.000 1.143 270 Y CB 0.693 39.401 38.460 0.413 0.000 1.193 270 Y HN 0.151 nan 8.280 nan 0.000 0.477 271 K N 8.500 128.577 120.400 -0.539 0.000 2.637 271 K HA 0.312 4.632 4.320 0.000 0.000 0.248 271 K C -2.093 174.154 176.600 -0.588 0.000 0.971 271 K CA -0.665 55.313 56.287 -0.514 0.000 0.858 271 K CB 1.010 33.390 32.500 -0.201 0.000 1.170 271 K HN 0.912 nan 8.250 nan 0.000 0.443 272 L N 6.598 127.453 121.223 -0.614 0.000 2.410 272 L HA 0.196 4.536 4.340 0.000 0.000 0.273 272 L C -1.678 175.119 176.870 -0.121 0.000 1.144 272 L CA -1.352 53.336 54.840 -0.254 0.000 0.863 272 L CB 1.013 43.048 42.059 -0.040 0.000 1.140 272 L HN 0.661 nan 8.230 nan 0.000 0.463 273 P HA -0.199 nan 4.420 nan 0.000 0.206 273 P C 0.149 177.455 177.300 0.009 0.000 1.142 273 P CA 1.027 64.090 63.100 -0.061 0.000 0.946 273 P CB 0.002 31.643 31.700 -0.098 0.000 0.777 274 L N -2.642 118.626 121.223 0.075 0.000 3.472 274 L HA -0.169 4.171 4.340 0.000 0.000 0.485 274 L C 0.374 177.279 176.870 0.058 0.000 1.312 274 L CA 0.210 55.094 54.840 0.075 0.000 0.869 274 L CB -2.389 39.699 42.059 0.049 0.000 1.687 274 L HN 0.426 nan 8.230 nan 0.000 0.853 275 G N -1.432 107.412 108.800 0.074 0.000 2.559 275 G HA2 0.467 4.427 3.960 0.000 0.000 0.291 275 G HA3 0.467 4.427 3.960 0.000 0.000 0.291 275 G C -0.499 174.452 174.900 0.084 0.000 1.424 275 G CA -0.150 44.986 45.100 0.060 0.000 0.786 275 G HN 0.014 nan 8.290 nan 0.000 0.485 276 S N 1.092 116.836 115.700 0.073 0.000 3.184 276 S HA 0.323 4.793 4.470 0.000 0.000 0.376 276 S C 0.537 175.203 174.600 0.110 0.000 1.163 276 S CA 0.654 58.905 58.200 0.085 0.000 1.314 276 S CB -0.702 62.537 63.200 0.066 0.000 0.962 276 S HN 0.950 nan 8.310 nan 0.000 0.543 277 T N -0.181 114.470 114.554 0.163 0.000 2.863 277 T HA 0.406 4.757 4.350 0.000 0.000 0.285 277 T C 0.866 175.712 174.700 0.244 0.000 1.009 277 T CA -1.067 61.173 62.100 0.233 0.000 0.989 277 T CB 1.972 71.091 68.868 0.419 0.000 1.004 277 T HN 0.494 nan 8.240 nan 0.000 0.455 278 E N 0.808 121.161 120.200 0.256 0.000 2.097 278 E HA -0.163 4.187 4.350 0.000 0.000 0.196 278 E C -0.465 176.373 176.600 0.398 0.000 1.000 278 E CA 1.278 57.853 56.400 0.291 0.000 0.804 278 E CB 0.076 29.958 29.700 0.304 0.000 0.740 278 E HN 0.615 nan 8.360 nan 0.000 0.454 279 Y N 0.283 120.643 120.300 0.100 0.000 2.419 279 Y HA 0.324 4.874 4.550 0.000 0.000 0.328 279 Y C -2.035 173.882 175.900 0.028 0.000 1.162 279 Y CA -3.675 54.441 58.100 0.026 0.000 1.174 279 Y CB 0.780 39.189 38.460 -0.085 0.000 1.228 279 Y HN 0.025 nan 8.280 nan 0.000 0.473 280 P HA 0.060 nan 4.420 nan 0.000 0.271 280 P C -0.012 177.227 177.300 -0.102 0.000 1.216 280 P CA -0.288 62.826 63.100 0.022 0.000 0.771 280 P CB 1.192 32.858 31.700 -0.057 0.000 0.864 281 K N 2.158 122.515 120.400 -0.071 0.000 2.259 281 K HA -0.172 4.148 4.320 0.000 0.000 0.206 281 K C 1.775 178.253 176.600 -0.204 0.000 1.044 281 K CA 1.025 57.265 56.287 -0.078 0.000 0.931 281 K CB -1.131 31.427 32.500 0.096 0.000 0.726 281 K HN 0.443 nan 8.250 nan 0.000 0.467 282 L N 0.172 121.209 121.223 -0.310 0.000 2.189 282 L HA -0.262 4.078 4.340 0.000 0.000 0.214 282 L C 1.356 178.013 176.870 -0.355 0.000 1.097 282 L CA 1.624 56.244 54.840 -0.366 0.000 0.764 282 L CB -0.175 41.596 42.059 -0.479 0.000 0.900 282 L HN 0.428 nan 8.230 nan 0.000 0.436 283 H N -2.614 116.311 119.070 -0.241 0.000 2.555 283 H HA -0.086 4.470 4.556 0.000 0.000 0.269 283 H C 1.060 176.391 175.328 0.004 0.000 0.988 283 H CA 0.898 56.851 56.048 -0.158 0.000 1.178 283 H CB 0.175 29.839 29.762 -0.164 0.000 1.373 283 H HN 0.373 nan 8.280 nan 0.000 0.588 284 Y N -0.378 120.062 120.300 0.233 0.000 2.509 284 Y HA 0.146 4.696 4.550 0.000 0.000 0.270 284 Y C 1.014 176.958 175.900 0.074 0.000 1.103 284 Y CA -0.635 57.609 58.100 0.241 0.000 1.278 284 Y CB 0.138 38.744 38.460 0.243 0.000 1.087 284 Y HN 0.113 nan 8.280 nan 0.000 0.542 285 L N 1.941 123.225 121.223 0.103 0.000 2.534 285 L HA -0.037 4.303 4.340 0.000 0.000 0.271 285 L C 1.057 177.650 176.870 -0.460 0.000 1.178 285 L CA 0.905 55.722 54.840 -0.038 0.000 0.907 285 L CB 0.698 42.753 42.059 -0.006 0.000 1.164 285 L HN 0.310 nan 8.230 nan 0.000 0.482 286 S N 3.255 118.436 115.700 -0.866 0.000 2.807 286 S HA 0.151 4.621 4.470 0.000 0.000 0.247 286 S C 0.280 174.150 174.600 -1.217 0.000 1.078 286 S CA -0.294 56.903 58.200 -1.673 0.000 0.867 286 S CB 0.075 61.568 63.200 -2.846 0.000 0.797 286 S HN 0.363 nan 8.310 nan 0.000 0.515 287 F N 4.482 124.121 119.950 -0.519 0.000 2.423 287 F HA 0.674 5.201 4.527 0.000 0.000 0.356 287 F C 0.270 175.981 175.800 -0.149 0.000 1.170 287 F CA -0.890 56.983 58.000 -0.212 0.000 1.163 287 F CB 0.778 39.719 39.000 -0.097 0.000 1.318 287 F HN 0.188 nan 8.300 nan 0.000 0.569 288 V N 0.610 120.354 119.914 -0.284 0.000 3.181 288 V HA 0.731 4.851 4.120 0.000 0.000 0.307 288 V C -2.905 172.667 176.094 -0.870 0.000 1.310 288 V CA -3.067 58.668 62.300 -0.942 0.000 1.067 288 V CB 1.820 33.236 31.823 -0.679 0.000 1.081 288 V HN 0.165 nan 8.190 nan 0.000 0.453 289 P HA 0.425 nan 4.420 nan 0.000 0.272 289 P C -0.632 176.499 177.300 -0.281 0.000 1.248 289 P CA 0.337 63.116 63.100 -0.534 0.000 0.799 289 P CB 0.442 31.859 31.700 -0.472 0.000 0.997 290 V N -3.380 116.448 119.914 -0.142 0.000 3.202 290 V HA 0.555 4.675 4.120 0.000 0.000 0.306 290 V C -0.828 175.236 176.094 -0.050 0.000 1.283 290 V CA -1.081 61.169 62.300 -0.084 0.000 1.065 290 V CB 1.442 33.245 31.823 -0.032 0.000 1.079 290 V HN 0.102 nan 8.190 nan 0.000 0.448 291 I N 3.098 123.648 120.570 -0.032 0.000 2.365 291 I HA 0.640 4.810 4.170 0.000 0.000 0.291 291 I C -0.223 175.903 176.117 0.016 0.000 1.004 291 I CA 0.640 61.929 61.300 -0.017 0.000 1.311 291 I CB 0.916 38.902 38.000 -0.024 0.000 1.401 291 I HN 1.026 nan 8.210 nan 0.000 0.491 292 D N 2.938 123.362 120.400 0.041 0.000 2.533 292 D HA 0.423 5.063 4.640 0.000 0.000 0.247 292 D C 0.890 177.237 176.300 0.079 0.000 1.056 292 D CA -0.833 53.211 54.000 0.073 0.000 1.054 292 D CB 0.771 41.640 40.800 0.116 0.000 1.400 292 D HN 0.444 nan 8.370 nan 0.000 0.533 293 G N -1.091 107.766 108.800 0.095 0.000 2.679 293 G HA2 -0.037 3.923 3.960 0.000 0.000 0.212 293 G HA3 -0.037 3.923 3.960 0.000 0.000 0.212 293 G C 0.419 175.386 174.900 0.111 0.000 1.137 293 G CA 1.086 46.237 45.100 0.084 0.000 0.787 293 G HN 0.682 nan 8.290 nan 0.000 0.534 294 D N -1.360 119.154 120.400 0.190 0.000 2.559 294 D HA 0.066 4.706 4.640 0.000 0.000 0.296 294 D C 1.648 178.153 176.300 0.342 0.000 1.118 294 D CA -0.381 53.785 54.000 0.277 0.000 0.967 294 D CB -0.491 40.578 40.800 0.449 0.000 1.607 294 D HN 0.087 nan 8.370 nan 0.000 0.493 295 F N 1.630 121.659 119.950 0.132 0.000 2.009 295 F HA 0.208 4.735 4.527 0.000 0.000 0.293 295 F C 0.898 176.639 175.800 -0.099 0.000 1.156 295 F CA 0.768 58.717 58.000 -0.085 0.000 1.168 295 F CB 0.102 38.826 39.000 -0.460 0.000 0.981 295 F HN -0.180 nan 8.300 nan 0.000 0.475 296 I N 2.069 122.622 120.570 -0.029 0.000 2.316 296 I HA 0.167 4.337 4.170 0.000 0.000 0.286 296 I C -1.890 174.191 176.117 -0.060 0.000 1.107 296 I CA -2.056 59.165 61.300 -0.132 0.000 1.219 296 I CB -0.018 37.925 38.000 -0.095 0.000 1.455 296 I HN 0.015 nan 8.210 nan 0.000 0.498 297 P HA -0.087 nan 4.420 nan 0.000 0.215 297 P C 0.477 177.753 177.300 -0.040 0.000 1.157 297 P CA 1.445 64.522 63.100 -0.039 0.000 0.868 297 P CB 0.571 32.234 31.700 -0.062 0.000 0.788 298 D N -2.176 118.185 120.400 -0.064 0.000 2.712 298 D HA 0.101 4.741 4.640 0.000 0.000 0.252 298 D C -0.725 175.538 176.300 -0.062 0.000 1.123 298 D CA -0.756 53.212 54.000 -0.052 0.000 1.109 298 D CB 0.745 41.514 40.800 -0.052 0.000 1.313 298 D HN -0.183 nan 8.370 nan 0.000 0.629 299 D N -0.164 120.206 120.400 -0.050 0.000 2.424 299 D HA 0.053 4.694 4.640 0.000 0.000 0.244 299 D C -1.652 174.613 176.300 -0.058 0.000 1.134 299 D CA -1.343 52.626 54.000 -0.052 0.000 0.881 299 D CB 1.696 42.474 40.800 -0.036 0.000 1.191 299 D HN -0.023 nan 8.370 nan 0.000 0.445 300 P HA -0.183 nan 4.420 nan 0.000 0.217 300 P C 1.494 178.830 177.300 0.059 0.000 1.151 300 P CA 0.454 63.504 63.100 -0.084 0.000 0.849 300 P CB 0.240 31.883 31.700 -0.096 0.000 0.787 301 V N -0.497 119.476 119.914 0.098 0.000 2.688 301 V HA -0.199 3.921 4.120 0.000 0.000 0.256 301 V C 1.313 177.467 176.094 0.100 0.000 1.084 301 V CA 2.002 64.381 62.300 0.130 0.000 1.103 301 V CB -0.929 30.904 31.823 0.016 0.000 0.688 301 V HN 0.122 nan 8.190 nan 0.000 0.480 302 N N -0.815 117.908 118.700 0.038 0.000 2.299 302 N HA 0.202 4.942 4.740 0.000 0.000 0.187 302 N C 1.185 176.667 175.510 -0.046 0.000 1.099 302 N CA 0.390 53.439 53.050 -0.002 0.000 0.867 302 N CB 0.299 38.778 38.487 -0.013 0.000 0.974 302 N HN 0.413 nan 8.380 nan 0.000 0.477 303 L N -0.599 120.578 121.223 -0.077 0.000 2.567 303 L HA 0.134 4.474 4.340 0.000 0.000 0.225 303 L C 0.814 177.530 176.870 -0.257 0.000 1.119 303 L CA 0.083 54.814 54.840 -0.181 0.000 0.871 303 L CB -0.160 41.749 42.059 -0.249 0.000 1.036 303 L HN 0.066 nan 8.230 nan 0.000 0.459 304 Y N 0.295 120.389 120.300 -0.343 0.000 2.738 304 Y HA -0.273 4.277 4.550 0.001 0.000 0.293 304 Y C 2.394 178.059 175.900 -0.391 0.000 1.156 304 Y CA 0.813 58.660 58.100 -0.422 0.000 1.410 304 Y CB -0.598 37.528 38.460 -0.557 0.000 0.966 304 Y HN 0.235 nan 8.280 nan 0.000 0.568 305 A N 0.196 122.902 122.820 -0.189 0.000 1.930 305 A HA -0.195 4.125 4.320 0.000 0.000 0.217 305 A C 2.157 179.685 177.584 -0.095 0.000 1.175 305 A CA 1.620 53.618 52.037 -0.064 0.000 0.627 305 A CB -0.446 18.540 19.000 -0.023 0.000 0.815 305 A HN 0.405 nan 8.150 nan 0.000 0.443 306 N N 0.746 119.354 118.700 -0.154 0.000 2.166 306 N HA -0.097 4.643 4.740 0.000 0.000 0.186 306 N C 1.482 176.899 175.510 -0.155 0.000 1.019 306 N CA 1.492 54.446 53.050 -0.161 0.000 0.856 306 N CB -0.489 37.872 38.487 -0.210 0.000 0.993 306 N HN 0.461 nan 8.380 nan 0.000 0.426 307 A N 0.159 122.865 122.820 -0.189 0.000 2.302 307 A HA 0.448 4.768 4.320 0.000 0.000 0.219 307 A C 2.041 179.554 177.584 -0.118 0.000 1.243 307 A CA 0.620 52.571 52.037 -0.143 0.000 0.856 307 A CB -0.360 18.533 19.000 -0.178 0.000 0.893 307 A HN 0.235 nan 8.150 nan 0.000 0.491 308 A N 0.264 123.011 122.820 -0.121 0.000 1.917 308 A HA -0.168 4.152 4.320 0.000 0.000 0.219 308 A C 1.207 178.760 177.584 -0.051 0.000 1.182 308 A CA 1.709 53.681 52.037 -0.109 0.000 0.633 308 A CB -0.194 18.778 19.000 -0.046 0.000 0.819 308 A HN 0.415 nan 8.150 nan 0.000 0.448 309 D N -0.536 119.853 120.400 -0.017 0.000 2.615 309 D HA 0.312 4.952 4.640 0.000 0.000 0.236 309 D C -0.871 175.454 176.300 0.042 0.000 1.233 309 D CA 0.175 54.184 54.000 0.015 0.000 0.829 309 D CB 0.742 41.542 40.800 0.000 0.000 1.024 309 D HN 0.082 nan 8.370 nan 0.000 0.490 310 V N 1.568 121.537 119.914 0.093 0.000 2.349 310 V HA 0.099 4.220 4.120 0.000 0.000 0.284 310 V C -0.165 176.092 176.094 0.272 0.000 1.014 310 V CA -1.015 61.360 62.300 0.124 0.000 0.826 310 V CB 1.796 33.661 31.823 0.070 0.000 1.009 310 V HN -0.061 nan 8.190 nan 0.000 0.431 311 D N 3.400 123.920 120.400 0.199 0.000 2.478 311 D HA 0.211 4.852 4.640 0.000 0.000 0.234 311 D C -0.603 175.961 176.300 0.440 0.000 1.154 311 D CA 0.950 55.123 54.000 0.290 0.000 0.874 311 D CB 0.371 41.207 40.800 0.060 0.000 1.198 311 D HN 0.469 nan 8.370 nan 0.000 0.455 312 Y N 0.635 121.055 120.300 0.200 0.000 2.581 312 Y HA 0.578 5.128 4.550 0.000 0.000 0.337 312 Y C -1.564 174.229 175.900 -0.178 0.000 1.108 312 Y CA -1.151 56.924 58.100 -0.042 0.000 1.033 312 Y CB 1.091 39.255 38.460 -0.493 0.000 1.318 312 Y HN 0.352 nan 8.280 nan 0.000 0.459 313 I N 3.199 123.367 120.570 -0.669 0.000 2.802 313 I HA 0.835 5.005 4.170 0.000 0.000 0.298 313 I C -1.195 174.426 176.117 -0.827 0.000 1.176 313 I CA -1.054 59.771 61.300 -0.791 0.000 1.025 313 I CB 2.310 39.693 38.000 -1.027 0.000 1.243 313 I HN 0.761 nan 8.210 nan 0.000 0.424 314 A N 3.234 125.729 122.820 -0.543 0.000 2.547 314 A HA 0.949 5.269 4.320 0.000 0.000 0.297 314 A C -0.828 176.586 177.584 -0.284 0.000 1.056 314 A CA -0.280 51.534 52.037 -0.371 0.000 0.688 314 A CB 1.930 20.645 19.000 -0.476 0.000 1.282 314 A HN 0.917 nan 8.150 nan 0.000 0.400 315 G N -0.577 107.981 108.800 -0.404 0.000 2.721 315 G HA2 0.768 4.728 3.960 0.000 0.000 0.296 315 G HA3 0.768 4.728 3.960 0.000 0.000 0.296 315 G C -1.123 173.417 174.900 -0.599 0.000 1.383 315 G CA -0.172 44.291 45.100 -1.062 0.000 0.788 315 G HN 1.035 nan 8.290 nan 0.000 0.500 316 T N 0.325 114.544 114.554 -0.559 0.000 2.885 316 T HA 0.444 4.794 4.350 0.000 0.000 0.322 316 T C -1.301 173.390 174.700 -0.015 0.000 1.387 316 T CA -0.721 61.286 62.100 -0.155 0.000 1.041 316 T CB 1.597 70.424 68.868 -0.068 0.000 1.287 316 T HN 0.436 nan 8.240 nan 0.000 0.491 317 N N 2.811 121.552 118.700 0.068 0.000 2.434 317 N HA 0.159 4.899 4.740 0.000 0.000 0.272 317 N C 1.248 176.829 175.510 0.119 0.000 1.040 317 N CA -0.548 52.606 53.050 0.174 0.000 0.956 317 N CB 1.052 39.638 38.487 0.165 0.000 1.108 317 N HN 0.787 nan 8.380 nan 0.000 0.481 318 D N 2.242 122.717 120.400 0.125 0.000 2.200 318 D HA -0.268 4.372 4.640 0.000 0.000 0.192 318 D C 0.356 176.725 176.300 0.115 0.000 1.008 318 D CA 1.623 55.680 54.000 0.095 0.000 0.872 318 D CB 0.086 40.939 40.800 0.088 0.000 0.923 318 D HN 0.478 nan 8.370 nan 0.000 0.447 319 M N 0.269 119.949 119.600 0.133 0.000 2.869 319 M HA 0.097 4.577 4.480 0.000 0.000 0.353 319 M C 0.450 176.850 176.300 0.166 0.000 1.224 319 M CA -0.422 54.975 55.300 0.162 0.000 0.917 319 M CB 1.003 33.700 32.600 0.163 0.000 1.322 319 M HN -0.234 nan 8.290 nan 0.000 0.516 320 D N 1.711 122.181 120.400 0.117 0.000 2.157 320 D HA -0.171 4.470 4.640 0.000 0.000 0.191 320 D C 1.804 178.175 176.300 0.118 0.000 1.004 320 D CA 1.806 55.812 54.000 0.009 0.000 0.854 320 D CB 0.090 40.726 40.800 -0.274 0.000 0.936 320 D HN 0.552 nan 8.370 nan 0.000 0.446 321 G N -1.005 107.999 108.800 0.339 0.000 3.026 321 G HA2 -0.173 3.787 3.960 0.000 0.000 0.208 321 G HA3 -0.173 3.787 3.960 0.000 0.000 0.208 321 G C 1.291 176.359 174.900 0.281 0.000 1.169 321 G CA 0.070 45.474 45.100 0.507 0.000 0.788 321 G HN 0.418 nan 8.290 nan 0.000 0.533 322 H N 0.247 119.371 119.070 0.090 0.000 2.353 322 H HA -0.092 4.464 4.556 0.000 0.000 0.300 322 H C 2.385 177.632 175.328 -0.135 0.000 1.090 322 H CA 1.391 57.433 56.048 -0.010 0.000 1.327 322 H CB 0.006 29.722 29.762 -0.077 0.000 1.383 322 H HN 0.282 nan 8.280 nan 0.000 0.508 323 L N 0.814 121.854 121.223 -0.305 0.000 1.978 323 L HA -0.244 4.096 4.340 0.000 0.000 0.218 323 L C 2.274 178.850 176.870 -0.491 0.000 1.075 323 L CA 1.964 56.504 54.840 -0.500 0.000 0.767 323 L CB -1.258 40.348 42.059 -0.754 0.000 0.890 323 L HN 0.153 nan 8.230 nan 0.000 0.434 324 F N -1.322 118.573 119.950 -0.091 0.000 2.051 324 F HA -0.158 4.369 4.527 0.000 0.000 0.296 324 F C 2.645 178.384 175.800 -0.101 0.000 1.122 324 F CA 1.665 59.613 58.000 -0.087 0.000 1.201 324 F CB -1.586 37.360 39.000 -0.090 0.000 0.978 324 F HN -0.047 nan 8.300 nan 0.000 0.472 325 V N 0.588 120.552 119.914 0.083 0.000 2.828 325 V HA -0.183 3.937 4.120 0.000 0.000 0.260 325 V C 2.222 178.279 176.094 -0.060 0.000 1.101 325 V CA 1.930 64.238 62.300 0.013 0.000 1.123 325 V CB -1.089 30.753 31.823 0.032 0.000 0.704 325 V HN 0.437 nan 8.190 nan 0.000 0.493 326 G N 0.470 109.160 108.800 -0.183 0.000 2.433 326 G HA2 -0.316 3.644 3.960 0.000 0.000 0.216 326 G HA3 -0.316 3.644 3.960 0.000 0.000 0.216 326 G C 1.503 176.365 174.900 -0.064 0.000 1.186 326 G CA 1.253 46.232 45.100 -0.202 0.000 0.779 326 G HN 0.622 nan 8.290 nan 0.000 0.543 327 M N -0.039 119.542 119.600 -0.032 0.000 2.175 327 M HA 0.066 4.546 4.480 0.000 0.000 0.264 327 M C 1.690 178.017 176.300 0.046 0.000 1.063 327 M CA 1.754 57.068 55.300 0.024 0.000 1.119 327 M CB -0.561 32.071 32.600 0.053 0.000 1.377 327 M HN -0.087 nan 8.290 nan 0.000 0.415 328 D N 1.471 121.897 120.400 0.043 0.000 2.117 328 D HA 0.024 4.664 4.640 0.000 0.000 0.197 328 D C 0.568 176.892 176.300 0.040 0.000 0.987 328 D CA 1.147 55.173 54.000 0.043 0.000 0.829 328 D CB 0.216 41.029 40.800 0.022 0.000 0.961 328 D HN 0.312 nan 8.370 nan 0.000 0.460 329 V N -0.100 119.834 119.914 0.033 0.000 2.668 329 V HA 0.250 4.370 4.120 0.000 0.000 0.304 329 V C -2.618 173.504 176.094 0.047 0.000 1.071 329 V CA -1.618 60.711 62.300 0.049 0.000 0.894 329 V CB 2.356 34.218 31.823 0.065 0.000 1.008 329 V HN -0.239 nan 8.190 nan 0.000 0.425 330 P HA 0.267 nan 4.420 nan 0.000 0.226 330 P C 0.903 178.256 177.300 0.089 0.000 1.783 330 P CA 0.260 63.394 63.100 0.057 0.000 0.980 330 P CB 0.559 32.294 31.700 0.058 0.000 1.967 331 A N 1.195 124.080 122.820 0.108 0.000 1.873 331 A HA -0.169 4.151 4.320 0.000 0.000 0.215 331 A C 1.941 179.656 177.584 0.218 0.000 1.186 331 A CA 1.155 53.300 52.037 0.179 0.000 0.616 331 A CB -1.320 17.814 19.000 0.223 0.000 0.823 331 A HN 0.299 nan 8.150 nan 0.000 0.442 332 I N 0.780 121.457 120.570 0.178 0.000 2.442 332 I HA -0.296 3.874 4.170 0.000 0.000 0.261 332 I C 1.376 177.564 176.117 0.119 0.000 1.132 332 I CA 1.266 62.649 61.300 0.139 0.000 1.412 332 I CB -0.637 37.415 38.000 0.087 0.000 1.091 332 I HN 0.448 nan 8.210 nan 0.000 0.448 333 N N 1.677 120.451 118.700 0.123 0.000 3.103 333 N HA -0.017 4.723 4.740 0.000 0.000 0.305 333 N C -0.041 175.549 175.510 0.133 0.000 1.232 333 N CA 0.089 53.202 53.050 0.105 0.000 1.190 333 N CB 0.233 38.773 38.487 0.088 0.000 1.461 333 N HN 0.095 nan 8.380 nan 0.000 0.538 334 S N 1.705 117.500 115.700 0.158 0.000 3.227 334 S HA 0.025 4.495 4.470 0.000 0.000 0.249 334 S C 0.732 175.416 174.600 0.139 0.000 1.322 334 S CA -0.396 57.933 58.200 0.214 0.000 1.253 334 S CB -0.396 63.003 63.200 0.332 0.000 1.076 334 S HN 0.653 nan 8.310 nan 0.000 0.471 335 N N 1.579 120.343 118.700 0.107 0.000 2.927 335 N HA 0.071 4.811 4.740 0.000 0.000 0.156 335 N C 1.534 177.088 175.510 0.073 0.000 1.474 335 N CA 0.057 53.155 53.050 0.079 0.000 1.124 335 N CB 0.061 38.585 38.487 0.061 0.000 1.132 335 N HN 0.311 nan 8.380 nan 0.000 0.444 336 K N 0.629 121.068 120.400 0.065 0.000 1.992 336 K HA 0.110 4.430 4.320 0.000 0.000 0.210 336 K C 0.847 177.486 176.600 0.065 0.000 1.036 336 K CA 0.514 56.836 56.287 0.058 0.000 0.946 336 K CB -0.619 31.910 32.500 0.049 0.000 0.742 336 K HN 0.157 nan 8.250 nan 0.000 0.442 337 Q N 1.963 121.804 119.800 0.069 0.000 2.454 337 Q HA 0.054 4.394 4.340 0.000 0.000 0.247 337 Q C -0.788 175.265 176.000 0.087 0.000 1.028 337 Q CA 0.486 56.333 55.803 0.074 0.000 0.910 337 Q CB 0.962 29.744 28.738 0.073 0.000 1.276 337 Q HN 0.577 nan 8.270 nan 0.000 0.489 338 D N -1.237 119.213 120.400 0.084 0.000 2.879 338 D HA 0.324 4.965 4.640 0.000 0.000 0.236 338 D C -0.263 176.094 176.300 0.095 0.000 1.171 338 D CA -0.769 53.286 54.000 0.091 0.000 0.868 338 D CB 0.819 41.666 40.800 0.079 0.000 1.598 338 D HN 0.205 nan 8.370 nan 0.000 0.497 339 V N -0.095 119.885 119.914 0.109 0.000 2.881 339 V HA 0.752 4.872 4.120 0.000 0.000 0.303 339 V C 0.555 176.721 176.094 0.121 0.000 1.070 339 V CA -0.227 62.147 62.300 0.124 0.000 1.074 339 V CB 0.742 32.654 31.823 0.148 0.000 1.012 339 V HN 0.881 nan 8.190 nan 0.000 0.482 340 T N -0.126 114.513 114.554 0.141 0.000 2.883 340 T HA 0.504 4.854 4.350 0.000 0.000 0.284 340 T C 0.676 175.502 174.700 0.210 0.000 1.041 340 T CA -0.226 61.960 62.100 0.142 0.000 1.007 340 T CB 1.760 70.698 68.868 0.118 0.000 1.220 340 T HN 0.683 nan 8.240 nan 0.000 0.552 341 E N 0.141 120.465 120.200 0.207 0.000 2.110 341 E HA -0.177 4.173 4.350 0.000 0.000 0.193 341 E C 1.896 178.706 176.600 0.350 0.000 0.988 341 E CA 1.227 57.817 56.400 0.318 0.000 0.804 341 E CB -0.006 29.851 29.700 0.261 0.000 0.745 341 E HN 0.806 nan 8.360 nan 0.000 0.458 342 E N 0.856 121.184 120.200 0.214 0.000 2.072 342 E HA -0.199 4.151 4.350 0.000 0.000 0.191 342 E C 1.415 178.142 176.600 0.211 0.000 0.985 342 E CA 1.143 57.651 56.400 0.181 0.000 0.801 342 E CB 0.167 29.934 29.700 0.112 0.000 0.750 342 E HN 0.156 nan 8.360 nan 0.000 0.452 343 D N -0.034 120.485 120.400 0.198 0.000 2.178 343 D HA -0.157 4.483 4.640 0.000 0.000 0.201 343 D C 1.611 178.026 176.300 0.191 0.000 0.980 343 D CA 0.719 54.818 54.000 0.165 0.000 0.842 343 D CB -0.314 40.580 40.800 0.157 0.000 0.948 343 D HN 0.215 nan 8.370 nan 0.000 0.472 344 F N 0.246 120.300 119.950 0.172 0.000 2.163 344 F HA -0.167 4.361 4.527 0.000 0.000 0.297 344 F C 2.264 178.218 175.800 0.256 0.000 1.094 344 F CA 0.755 58.875 58.000 0.199 0.000 1.290 344 F CB -0.336 38.807 39.000 0.237 0.000 1.017 344 F HN -0.135 nan 8.300 nan 0.000 0.483 345 Y N 1.603 122.055 120.300 0.254 0.000 2.097 345 Y HA -0.249 4.301 4.550 0.000 0.000 0.282 345 Y C 2.321 178.175 175.900 -0.076 0.000 1.152 345 Y CA 2.227 60.341 58.100 0.024 0.000 1.136 345 Y CB -0.681 37.653 38.460 -0.210 0.000 0.975 345 Y HN 0.005 nan 8.280 nan 0.000 0.498 346 K N -0.388 119.958 120.400 -0.090 0.000 2.044 346 K HA -0.249 4.072 4.320 0.000 0.000 0.210 346 K C 1.968 178.416 176.600 -0.254 0.000 1.049 346 K CA 1.825 58.004 56.287 -0.180 0.000 0.927 346 K CB -0.703 31.774 32.500 -0.038 0.000 0.713 346 K HN 0.299 nan 8.250 nan 0.000 0.443 347 L N 1.165 122.250 121.223 -0.230 0.000 1.989 347 L HA -0.208 4.132 4.340 0.000 0.000 0.211 347 L C 2.081 178.748 176.870 -0.339 0.000 1.071 347 L CA 1.623 56.300 54.840 -0.271 0.000 0.749 347 L CB -0.478 41.389 42.059 -0.320 0.000 0.890 347 L HN -0.039 nan 8.230 nan 0.000 0.431 348 V N -0.745 118.900 119.914 -0.449 0.000 2.332 348 V HA -0.309 3.811 4.120 0.000 0.000 0.248 348 V C 2.551 178.480 176.094 -0.276 0.000 1.055 348 V CA 1.874 63.967 62.300 -0.345 0.000 1.038 348 V CB -1.111 30.561 31.823 -0.251 0.000 0.651 348 V HN 0.535 nan 8.190 nan 0.000 0.450 349 S N 0.963 116.400 115.700 -0.438 0.000 2.351 349 S HA -0.173 4.297 4.470 0.000 0.000 0.220 349 S C 2.131 176.574 174.600 -0.261 0.000 1.035 349 S CA 1.609 59.573 58.200 -0.392 0.000 1.031 349 S CB -0.991 61.908 63.200 -0.500 0.000 0.928 349 S HN 0.690 nan 8.310 nan 0.000 0.433 350 G N 1.075 109.709 108.800 -0.277 0.000 2.448 350 G HA2 -0.098 3.862 3.960 0.000 0.000 0.219 350 G HA3 -0.098 3.862 3.960 0.000 0.000 0.219 350 G C 1.145 176.000 174.900 -0.077 0.000 1.127 350 G CA 0.490 45.439 45.100 -0.252 0.000 0.766 350 G HN 0.459 nan 8.290 nan 0.000 0.552 351 L N 1.021 122.179 121.223 -0.108 0.000 2.592 351 L HA 0.126 4.466 4.340 0.000 0.000 0.227 351 L C 2.356 179.216 176.870 -0.017 0.000 1.127 351 L CA 1.113 55.898 54.840 -0.091 0.000 0.884 351 L CB 0.172 42.132 42.059 -0.164 0.000 1.065 351 L HN 0.345 nan 8.230 nan 0.000 0.457 352 T N -6.354 108.224 114.554 0.040 0.000 3.003 352 T HA 0.080 4.431 4.350 0.000 0.000 0.261 352 T C 1.664 176.455 174.700 0.152 0.000 1.003 352 T CA -0.002 62.218 62.100 0.201 0.000 0.917 352 T CB 0.135 69.183 68.868 0.301 0.000 1.084 352 T HN -0.090 nan 8.240 nan 0.000 0.522 353 V N 2.734 122.668 119.914 0.034 0.000 2.329 353 V HA -0.367 3.753 4.120 0.000 0.000 0.265 353 V C 2.811 178.916 176.094 0.019 0.000 1.119 353 V CA 2.780 65.068 62.300 -0.020 0.000 1.110 353 V CB -1.783 29.992 31.823 -0.080 0.000 0.735 353 V HN 0.624 nan 8.190 nan 0.000 0.455 354 T N -1.037 113.557 114.554 0.068 0.000 2.759 354 T HA -0.170 4.180 4.350 0.000 0.000 0.269 354 T C 1.592 176.300 174.700 0.012 0.000 1.042 354 T CA 1.450 63.580 62.100 0.050 0.000 1.140 354 T CB -0.200 68.717 68.868 0.081 0.000 0.864 354 T HN 0.421 nan 8.240 nan 0.000 0.455 355 K N 0.603 121.008 120.400 0.009 0.000 2.358 355 K HA 0.358 4.678 4.320 0.000 0.000 0.197 355 K C 1.333 177.892 176.600 -0.068 0.000 1.025 355 K CA 0.255 56.477 56.287 -0.109 0.000 1.104 355 K CB 0.145 32.407 32.500 -0.396 0.000 0.855 355 K HN 0.431 nan 8.250 nan 0.000 0.531 356 G N 1.778 110.567 108.800 -0.019 0.000 2.641 356 G HA2 -0.330 3.630 3.960 0.000 0.000 0.254 356 G HA3 -0.330 3.630 3.960 0.000 0.000 0.254 356 G C 0.832 175.736 174.900 0.007 0.000 1.315 356 G CA -0.009 45.082 45.100 -0.015 0.000 0.907 356 G HN 0.190 nan 8.290 nan 0.000 0.572 357 L N -0.338 120.895 121.223 0.016 0.000 2.127 357 L HA -0.141 4.199 4.340 0.000 0.000 0.211 357 L C 3.096 180.010 176.870 0.074 0.000 1.089 357 L CA 2.286 57.161 54.840 0.059 0.000 0.757 357 L CB -0.558 41.540 42.059 0.066 0.000 0.899 357 L HN 0.694 nan 8.230 nan 0.000 0.434 358 R N 0.668 121.187 120.500 0.032 0.000 2.103 358 R HA -0.161 4.179 4.340 0.000 0.000 0.234 358 R C 2.254 178.583 176.300 0.048 0.000 1.132 358 R CA 1.983 58.097 56.100 0.025 0.000 0.925 358 R CB -0.994 29.292 30.300 -0.023 0.000 0.842 358 R HN 0.291 nan 8.270 nan 0.000 0.430 359 G N -0.737 108.060 108.800 -0.006 0.000 2.432 359 G HA2 -0.202 3.758 3.960 0.000 0.000 0.219 359 G HA3 -0.202 3.758 3.960 0.000 0.000 0.219 359 G C 1.483 176.559 174.900 0.293 0.000 1.135 359 G CA 0.781 45.905 45.100 0.041 0.000 0.767 359 G HN 0.529 nan 8.290 nan 0.000 0.550 360 A N 1.836 124.777 122.820 0.201 0.000 1.835 360 A HA -0.105 4.215 4.320 0.000 0.000 0.215 360 A C 2.239 180.007 177.584 0.307 0.000 1.199 360 A CA 2.032 54.177 52.037 0.180 0.000 0.615 360 A CB -0.612 18.399 19.000 0.019 0.000 0.838 360 A HN 0.387 nan 8.150 nan 0.000 0.444 361 N N 0.722 119.622 118.700 0.333 0.000 2.244 361 N HA 0.010 4.750 4.740 0.000 0.000 0.183 361 N C 1.675 177.370 175.510 0.308 0.000 1.016 361 N CA 1.452 54.718 53.050 0.359 0.000 0.866 361 N CB -0.476 38.131 38.487 0.200 0.000 0.980 361 N HN 0.500 nan 8.380 nan 0.000 0.430 362 A N 0.491 123.465 122.820 0.258 0.000 1.845 362 A HA -0.148 4.173 4.320 0.000 0.000 0.215 362 A C 2.298 180.009 177.584 0.211 0.000 1.195 362 A CA 2.074 54.252 52.037 0.235 0.000 0.616 362 A CB -1.295 17.872 19.000 0.278 0.000 0.832 362 A HN 0.280 nan 8.150 nan 0.000 0.443 363 T N -1.417 113.342 114.554 0.341 0.000 2.720 363 T HA -0.207 4.143 4.350 0.000 0.000 0.268 363 T C 1.759 176.582 174.700 0.204 0.000 1.037 363 T CA 1.758 63.984 62.100 0.210 0.000 1.144 363 T CB -0.514 68.572 68.868 0.364 0.000 0.864 363 T HN 0.528 nan 8.240 nan 0.000 0.444 364 Y N 1.971 122.400 120.300 0.216 0.000 2.069 364 Y HA -0.268 4.283 4.550 0.000 0.000 0.278 364 Y C 2.415 178.442 175.900 0.212 0.000 1.175 364 Y CA 1.995 60.287 58.100 0.320 0.000 1.134 364 Y CB -0.407 38.297 38.460 0.406 0.000 0.965 364 Y HN 0.172 nan 8.280 nan 0.000 0.498 365 E N -0.389 119.923 120.200 0.187 0.000 2.023 365 E HA -0.233 4.117 4.350 0.000 0.000 0.196 365 E C 2.386 178.891 176.600 -0.158 0.000 1.003 365 E CA 1.849 58.246 56.400 -0.005 0.000 0.809 365 E CB -0.819 28.904 29.700 0.038 0.000 0.755 365 E HN 0.389 nan 8.360 nan 0.000 0.449 366 V N -0.422 119.333 119.914 -0.265 0.000 2.568 366 V HA -0.266 3.854 4.120 0.000 0.000 0.253 366 V C 1.320 177.219 176.094 -0.326 0.000 1.072 366 V CA 1.812 63.837 62.300 -0.459 0.000 1.084 366 V CB -0.342 30.847 31.823 -1.057 0.000 0.676 366 V HN 0.412 nan 8.190 nan 0.000 0.469 367 Y N 0.789 120.967 120.300 -0.204 0.000 2.500 367 Y HA 0.104 4.654 4.550 0.000 0.000 0.270 367 Y C 2.296 178.036 175.900 -0.266 0.000 1.134 367 Y CA 1.133 59.180 58.100 -0.088 0.000 1.293 367 Y CB 0.022 38.541 38.460 0.098 0.000 1.063 367 Y HN 0.495 nan 8.280 nan 0.000 0.534 368 T N -3.441 110.957 114.554 -0.261 0.000 3.186 368 T HA 0.079 4.429 4.350 0.000 0.000 0.257 368 T C 1.267 175.775 174.700 -0.320 0.000 1.029 368 T CA -0.071 61.782 62.100 -0.411 0.000 0.916 368 T CB 0.105 68.576 68.868 -0.662 0.000 1.041 368 T HN 0.055 nan 8.240 nan 0.000 0.562 369 E N 2.630 122.651 120.200 -0.298 0.000 2.033 369 E HA -0.009 4.341 4.350 0.000 0.000 0.199 369 E C -0.813 175.496 176.600 -0.485 0.000 1.011 369 E CA 1.163 57.375 56.400 -0.312 0.000 0.815 369 E CB -1.205 28.315 29.700 -0.301 0.000 0.755 369 E HN 0.594 nan 8.360 nan 0.000 0.451 370 P HA 0.071 nan 4.420 nan 0.000 0.289 370 P C -0.059 176.700 177.300 -0.901 0.000 1.299 370 P CA -0.224 62.214 63.100 -1.105 0.000 0.766 370 P CB 0.488 31.731 31.700 -0.762 0.000 1.226 371 W N -3.450 117.790 121.300 -0.099 0.000 3.025 371 W HA 0.686 5.347 4.660 0.000 0.000 0.343 371 W C -1.850 174.619 176.519 -0.083 0.000 1.246 371 W CA -1.537 55.751 57.345 -0.096 0.000 1.178 371 W CB 1.425 30.842 29.460 -0.073 0.000 1.463 371 W HN 0.611 nan 8.180 nan 0.000 0.578 372 A N 1.504 124.499 122.820 0.292 0.000 2.246 372 A HA 0.213 4.533 4.320 0.000 0.000 0.302 372 A C -0.533 177.098 177.584 0.079 0.000 0.999 372 A CA -0.667 51.462 52.037 0.153 0.000 0.998 372 A CB 1.044 20.096 19.000 0.087 0.000 1.183 372 A HN 0.527 nan 8.150 nan 0.000 0.351 373 Q N 0.551 120.383 119.800 0.053 0.000 2.870 373 Q HA 0.028 4.368 4.340 0.000 0.000 0.193 373 Q C 0.408 176.428 176.000 0.034 0.000 1.148 373 Q CA 0.293 56.118 55.803 0.036 0.000 1.212 373 Q CB 0.349 29.096 28.738 0.015 0.000 1.290 373 Q HN 0.784 nan 8.270 nan 0.000 0.686 374 D N -0.080 120.340 120.400 0.034 0.000 2.218 374 D HA -0.116 4.525 4.640 0.000 0.000 0.204 374 D C 1.781 178.103 176.300 0.037 0.000 0.976 374 D CA 1.500 55.523 54.000 0.039 0.000 0.853 374 D CB 0.045 40.868 40.800 0.040 0.000 0.939 374 D HN 0.462 nan 8.370 nan 0.000 0.481 375 S N 0.273 115.990 115.700 0.029 0.000 2.402 375 S HA -0.088 4.383 4.470 0.000 0.000 0.229 375 S C 1.612 176.231 174.600 0.032 0.000 1.021 375 S CA 0.666 58.883 58.200 0.028 0.000 0.974 375 S CB -0.155 63.056 63.200 0.018 0.000 0.800 375 S HN 0.161 nan 8.310 nan 0.000 0.484 376 S N 0.996 116.714 115.700 0.029 0.000 2.481 376 S HA 0.331 4.801 4.470 0.000 0.000 0.243 376 S C 1.001 175.608 174.600 0.012 0.000 1.152 376 S CA -0.717 57.498 58.200 0.026 0.000 1.168 376 S CB 0.205 63.425 63.200 0.033 0.000 0.835 376 S HN 0.137 nan 8.310 nan 0.000 0.474 377 Q N 2.224 122.038 119.800 0.024 0.000 2.182 377 Q HA -0.272 4.068 4.340 0.000 0.000 0.213 377 Q C 1.883 177.867 176.000 -0.027 0.000 1.000 377 Q CA 2.096 57.912 55.803 0.021 0.000 0.889 377 Q CB -0.481 28.293 28.738 0.060 0.000 0.932 377 Q HN 0.884 nan 8.270 nan 0.000 0.415 378 E N -0.296 119.876 120.200 -0.046 0.000 2.164 378 E HA -0.235 4.115 4.350 0.000 0.000 0.206 378 E C 1.535 177.932 176.600 -0.338 0.000 1.032 378 E CA 1.992 58.268 56.400 -0.206 0.000 0.832 378 E CB 0.111 29.707 29.700 -0.173 0.000 0.742 378 E HN 0.438 nan 8.360 nan 0.000 0.460 379 T N 0.258 114.689 114.554 -0.205 0.000 2.821 379 T HA -0.086 4.265 4.350 0.000 0.000 0.267 379 T C 1.788 176.358 174.700 -0.216 0.000 1.046 379 T CA 1.182 63.155 62.100 -0.212 0.000 1.139 379 T CB -0.175 68.615 68.868 -0.130 0.000 0.871 379 T HN 0.220 nan 8.240 nan 0.000 0.454 380 R N 1.372 121.775 120.500 -0.163 0.000 2.061 380 R HA 0.017 4.357 4.340 0.000 0.000 0.230 380 R C 2.604 178.855 176.300 -0.081 0.000 1.140 380 R CA 1.226 57.237 56.100 -0.148 0.000 0.940 380 R CB -0.231 30.031 30.300 -0.064 0.000 0.839 380 R HN 0.343 nan 8.270 nan 0.000 0.429 381 K N 0.923 121.292 120.400 -0.052 0.000 2.113 381 K HA -0.184 4.136 4.320 0.000 0.000 0.208 381 K C 2.094 178.641 176.600 -0.087 0.000 1.047 381 K CA 1.482 57.785 56.287 0.026 0.000 0.928 381 K CB -0.078 32.504 32.500 0.136 0.000 0.716 381 K HN 0.156 nan 8.250 nan 0.000 0.446 382 K N 0.092 120.257 120.400 -0.392 0.000 2.057 382 K HA -0.069 4.251 4.320 0.000 0.000 0.206 382 K C 2.213 178.746 176.600 -0.111 0.000 1.050 382 K CA 1.542 57.568 56.287 -0.434 0.000 0.935 382 K CB -0.101 32.060 32.500 -0.566 0.000 0.715 382 K HN 0.116 nan 8.250 nan 0.000 0.439 383 T N 1.786 116.288 114.554 -0.088 0.000 2.720 383 T HA -0.178 4.172 4.350 0.000 0.000 0.268 383 T C 1.881 176.722 174.700 0.234 0.000 1.037 383 T CA 1.559 63.673 62.100 0.023 0.000 1.144 383 T CB -0.156 68.614 68.868 -0.165 0.000 0.864 383 T HN 0.182 nan 8.240 nan 0.000 0.444 384 M N 0.677 120.458 119.600 0.302 0.000 2.080 384 M HA -0.098 4.383 4.480 0.000 0.000 0.260 384 M C 2.467 178.869 176.300 0.170 0.000 1.068 384 M CA 1.315 56.800 55.300 0.310 0.000 1.109 384 M CB -0.774 31.982 32.600 0.259 0.000 1.342 384 M HN 0.075 nan 8.290 nan 0.000 0.405 385 V N 0.401 120.420 119.914 0.174 0.000 2.469 385 V HA -0.274 3.846 4.120 0.000 0.000 0.251 385 V C 1.670 177.862 176.094 0.164 0.000 1.064 385 V CA 1.828 64.247 62.300 0.197 0.000 1.066 385 V CB -0.842 31.154 31.823 0.288 0.000 0.667 385 V HN 0.410 nan 8.190 nan 0.000 0.461 386 D N -0.379 120.104 120.400 0.139 0.000 2.162 386 D HA -0.074 4.567 4.640 0.000 0.000 0.203 386 D C 1.931 178.312 176.300 0.135 0.000 0.967 386 D CA 0.781 54.860 54.000 0.132 0.000 0.840 386 D CB -0.184 40.683 40.800 0.111 0.000 0.972 386 D HN 0.366 nan 8.370 nan 0.000 0.482 387 L N 1.539 122.808 121.223 0.077 0.000 1.989 387 L HA -0.165 4.175 4.340 0.000 0.000 0.211 387 L C 1.938 178.752 176.870 -0.093 0.000 1.071 387 L CA 1.829 56.584 54.840 -0.142 0.000 0.749 387 L CB -0.456 41.460 42.059 -0.240 0.000 0.890 387 L HN -0.069 nan 8.230 nan 0.000 0.431 388 E N -0.856 119.323 120.200 -0.036 0.000 2.051 388 E HA -0.206 4.144 4.350 0.000 0.000 0.192 388 E C 1.997 178.611 176.600 0.024 0.000 0.991 388 E CA 1.951 58.329 56.400 -0.036 0.000 0.799 388 E CB -0.559 29.164 29.700 0.039 0.000 0.748 388 E HN 0.582 nan 8.360 nan 0.000 0.449 389 T N 1.572 116.209 114.554 0.138 0.000 2.759 389 T HA -0.154 4.196 4.350 0.000 0.000 0.269 389 T C 1.282 176.074 174.700 0.153 0.000 1.042 389 T CA 1.731 63.974 62.100 0.238 0.000 1.140 389 T CB -0.270 68.721 68.868 0.205 0.000 0.864 389 T HN 0.102 nan 8.240 nan 0.000 0.455 390 D N 1.236 121.677 120.400 0.067 0.000 2.075 390 D HA -0.026 4.614 4.640 0.000 0.000 0.196 390 D C 2.233 178.418 176.300 -0.192 0.000 0.985 390 D CA 0.978 54.990 54.000 0.020 0.000 0.834 390 D CB -0.353 40.560 40.800 0.189 0.000 0.987 390 D HN 0.462 nan 8.370 nan 0.000 0.452 391 I N -0.977 119.381 120.570 -0.354 0.000 2.252 391 I HA -0.160 4.010 4.170 0.000 0.000 0.245 391 I C 2.070 177.946 176.117 -0.402 0.000 1.102 391 I CA 1.204 62.179 61.300 -0.542 0.000 1.385 391 I CB -0.800 36.814 38.000 -0.643 0.000 1.064 391 I HN -0.014 nan 8.210 nan 0.000 0.414 392 L N -0.343 120.653 121.223 -0.377 0.000 2.056 392 L HA -0.071 4.269 4.340 0.000 0.000 0.207 392 L C 2.062 178.518 176.870 -0.691 0.000 1.078 392 L CA 1.646 56.129 54.840 -0.595 0.000 0.749 392 L CB -0.397 41.076 42.059 -0.977 0.000 0.901 392 L HN 0.255 nan 8.230 nan 0.000 0.433 393 F N -3.084 116.900 119.950 0.057 0.000 2.334 393 F HA 0.101 4.628 4.527 0.000 0.000 0.269 393 F C 1.672 177.480 175.800 0.014 0.000 0.879 393 F CA -0.397 57.660 58.000 0.094 0.000 1.102 393 F CB -0.584 38.495 39.000 0.132 0.000 1.032 393 F HN -0.288 nan 8.300 nan 0.000 0.782 394 L N 1.236 122.582 121.223 0.205 0.000 1.944 394 L HA -0.198 4.143 4.340 0.000 0.000 0.218 394 L C 2.215 179.101 176.870 0.027 0.000 1.075 394 L CA 1.942 56.836 54.840 0.089 0.000 0.767 394 L CB -0.798 41.310 42.059 0.081 0.000 0.890 394 L HN 0.071 nan 8.230 nan 0.000 0.434 395 I N -0.280 120.278 120.570 -0.019 0.000 2.208 395 I HA -0.196 3.974 4.170 0.000 0.000 0.245 395 I C -0.047 176.026 176.117 -0.075 0.000 1.097 395 I CA 1.638 62.909 61.300 -0.048 0.000 1.363 395 I CB -2.894 35.010 38.000 -0.161 0.000 1.051 395 I HN 0.274 nan 8.210 nan 0.000 0.413 396 P HA -0.096 nan 4.420 nan 0.000 0.215 396 P C 1.801 179.071 177.300 -0.050 0.000 1.153 396 P CA 1.737 64.768 63.100 -0.114 0.000 0.853 396 P CB -0.152 31.444 31.700 -0.174 0.000 0.788 397 T N -0.338 114.210 114.554 -0.011 0.000 2.684 397 T HA -0.186 4.164 4.350 0.000 0.000 0.267 397 T C 1.769 176.442 174.700 -0.045 0.000 1.036 397 T CA 1.394 63.492 62.100 -0.003 0.000 1.148 397 T CB -0.619 68.250 68.868 0.003 0.000 0.863 397 T HN 0.176 nan 8.240 nan 0.000 0.436 398 K N 0.423 120.801 120.400 -0.036 0.000 2.152 398 K HA -0.027 4.293 4.320 0.000 0.000 0.206 398 K C 2.005 178.581 176.600 -0.040 0.000 1.048 398 K CA 1.158 57.427 56.287 -0.030 0.000 0.933 398 K CB -0.242 32.273 32.500 0.024 0.000 0.721 398 K HN 0.378 nan 8.250 nan 0.000 0.447 399 I N -0.276 120.267 120.570 -0.044 0.000 2.716 399 I HA -0.093 4.077 4.170 0.000 0.000 0.259 399 I C 2.191 178.229 176.117 -0.132 0.000 1.172 399 I CA 0.432 61.691 61.300 -0.067 0.000 1.478 399 I CB -0.052 37.910 38.000 -0.063 0.000 1.104 399 I HN 0.117 nan 8.210 nan 0.000 0.439 400 A N 1.006 123.774 122.820 -0.087 0.000 1.855 400 A HA -0.109 4.211 4.320 0.000 0.000 0.215 400 A C 2.404 179.977 177.584 -0.019 0.000 1.191 400 A CA 1.717 53.735 52.037 -0.033 0.000 0.613 400 A CB -0.886 18.203 19.000 0.148 0.000 0.829 400 A HN 0.188 nan 8.150 nan 0.000 0.442 401 V N 0.091 119.949 119.914 -0.093 0.000 2.295 401 V HA -0.223 3.897 4.120 0.000 0.000 0.246 401 V C 3.025 178.949 176.094 -0.283 0.000 1.049 401 V CA 1.924 64.078 62.300 -0.245 0.000 1.024 401 V CB -1.631 29.879 31.823 -0.522 0.000 0.648 401 V HN 0.587 nan 8.190 nan 0.000 0.447 402 A N -0.775 121.886 122.820 -0.266 0.000 1.892 402 A HA -0.291 4.030 4.320 0.000 0.000 0.218 402 A C 2.263 179.840 177.584 -0.012 0.000 1.188 402 A CA 2.027 54.023 52.037 -0.068 0.000 0.631 402 A CB -0.597 18.417 19.000 0.024 0.000 0.822 402 A HN 0.514 nan 8.150 nan 0.000 0.447 403 Q N -1.078 118.647 119.800 -0.125 0.000 2.084 403 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 403 Q C 2.088 178.058 176.000 -0.049 0.000 0.978 403 Q CA 1.772 57.452 55.803 -0.205 0.000 0.844 403 Q CB -0.540 27.785 28.738 -0.688 0.000 0.898 403 Q HN 0.920 nan 8.270 nan 0.000 0.426 404 H N 0.784 119.796 119.070 -0.097 0.000 2.321 404 H HA -0.135 4.421 4.556 0.000 0.000 0.300 404 H C 2.052 177.475 175.328 0.159 0.000 1.087 404 H CA 2.047 58.193 56.048 0.164 0.000 1.319 404 H CB 0.339 30.287 29.762 0.311 0.000 1.379 404 H HN 0.005 nan 8.280 nan 0.000 0.501 405 K N 1.087 121.663 120.400 0.293 0.000 2.020 405 K HA -0.138 4.182 4.320 0.000 0.000 0.212 405 K C 2.512 179.189 176.600 0.128 0.000 1.050 405 K CA 2.386 58.825 56.287 0.253 0.000 0.929 405 K CB -0.641 32.056 32.500 0.330 0.000 0.714 405 K HN 0.359 nan 8.250 nan 0.000 0.443 406 S N -0.942 114.812 115.700 0.091 0.000 2.419 406 S HA -0.154 4.316 4.470 0.000 0.000 0.233 406 S C 1.501 176.007 174.600 -0.156 0.000 1.016 406 S CA 1.411 59.590 58.200 -0.035 0.000 0.974 406 S CB -0.632 62.523 63.200 -0.074 0.000 0.786 406 S HN 0.525 nan 8.310 nan 0.000 0.492 407 H N 1.309 120.349 119.070 -0.049 0.000 2.551 407 H HA 0.595 5.152 4.556 0.000 0.000 0.271 407 H C 0.839 176.095 175.328 -0.120 0.000 0.984 407 H CA 0.148 56.154 56.048 -0.070 0.000 1.164 407 H CB 0.007 29.739 29.762 -0.050 0.000 1.437 407 H HN 0.521 nan 8.280 nan 0.000 0.550 408 A N 1.264 124.053 122.820 -0.051 0.000 2.484 408 A HA 0.039 4.359 4.320 0.000 0.000 0.268 408 A C 1.045 178.617 177.584 -0.019 0.000 1.114 408 A CA -0.086 51.900 52.037 -0.086 0.000 0.780 408 A CB 0.256 19.247 19.000 -0.015 0.000 1.061 408 A HN 0.420 nan 8.150 nan 0.000 0.505 409 K N 1.408 121.798 120.400 -0.017 0.000 1.995 409 K HA -0.014 4.306 4.320 0.000 0.000 0.207 409 K C 0.382 176.988 176.600 0.011 0.000 1.041 409 K CA 1.626 57.911 56.287 -0.003 0.000 0.942 409 K CB -0.017 32.480 32.500 -0.005 0.000 0.731 409 K HN 0.845 nan 8.250 nan 0.000 0.439 410 S N -0.290 115.423 115.700 0.021 0.000 2.356 410 S HA 0.656 5.126 4.470 0.000 0.000 0.171 410 S C -0.904 173.731 174.600 0.059 0.000 1.399 410 S CA -0.968 57.253 58.200 0.035 0.000 1.225 410 S CB 1.512 64.726 63.200 0.024 0.000 1.271 410 S HN 0.256 nan 8.310 nan 0.000 0.427 411 A N 2.494 125.371 122.820 0.095 0.000 2.480 411 A HA 0.679 4.999 4.320 0.000 0.000 0.289 411 A C -0.937 176.782 177.584 0.224 0.000 1.044 411 A CA -0.882 51.255 52.037 0.167 0.000 0.761 411 A CB 0.777 19.905 19.000 0.214 0.000 1.289 411 A HN 0.518 nan 8.150 nan 0.000 0.401 412 N N 1.387 120.213 118.700 0.210 0.000 2.479 412 N HA 0.424 5.164 4.740 0.000 0.000 0.257 412 N C -0.171 175.429 175.510 0.150 0.000 1.232 412 N CA 0.487 53.627 53.050 0.150 0.000 0.920 412 N CB 0.678 39.359 38.487 0.323 0.000 1.105 412 N HN 0.568 nan 8.380 nan 0.000 0.444 413 T N 1.217 115.680 114.554 -0.152 0.000 2.887 413 T HA 0.621 4.971 4.350 0.000 0.000 0.288 413 T C -0.961 173.428 174.700 -0.520 0.000 1.021 413 T CA -0.380 61.613 62.100 -0.179 0.000 1.000 413 T CB 0.712 69.583 68.868 0.006 0.000 1.034 413 T HN 0.302 nan 8.240 nan 0.000 0.467 414 Y N -0.153 119.984 120.300 -0.272 0.000 2.597 414 Y HA 0.681 5.231 4.550 0.000 0.000 0.340 414 Y C 0.182 175.984 175.900 -0.162 0.000 1.097 414 Y CA -0.901 57.045 58.100 -0.257 0.000 1.037 414 Y CB 2.594 40.533 38.460 -0.868 0.000 1.305 414 Y HN 0.663 nan 8.280 nan 0.000 0.463 415 T N 1.302 116.080 114.554 0.373 0.000 2.900 415 T HA 0.673 5.023 4.350 0.000 0.000 0.303 415 T C -1.758 173.290 174.700 0.581 0.000 1.142 415 T CA -0.472 61.794 62.100 0.276 0.000 1.007 415 T CB 0.907 69.823 68.868 0.079 0.000 1.156 415 T HN 0.613 nan 8.240 nan 0.000 0.490 416 Y N 2.479 122.976 120.300 0.327 0.000 2.876 416 Y HA 0.912 5.463 4.550 0.000 0.000 0.317 416 Y C -1.884 174.108 175.900 0.152 0.000 1.369 416 Y CA -1.644 56.594 58.100 0.229 0.000 1.101 416 Y CB 1.217 39.803 38.460 0.210 0.000 1.346 416 Y HN 0.627 nan 8.280 nan 0.000 0.505 417 L N 1.897 123.312 121.223 0.321 0.000 2.752 417 L HA 0.386 4.726 4.340 0.000 0.000 0.257 417 L C -2.173 174.911 176.870 0.357 0.000 0.968 417 L CA -0.501 54.435 54.840 0.161 0.000 0.953 417 L CB 0.985 43.057 42.059 0.021 0.000 1.286 417 L HN 0.692 nan 8.230 nan 0.000 0.443 418 F N 3.637 123.784 119.950 0.329 0.000 2.494 418 F HA 0.280 4.808 4.527 0.000 0.000 0.369 418 F C 1.369 177.217 175.800 0.080 0.000 1.098 418 F CA 1.174 59.295 58.000 0.201 0.000 1.154 418 F CB 1.015 40.147 39.000 0.221 0.000 1.103 418 F HN 0.720 nan 8.300 nan 0.000 0.549 419 S N 2.146 117.739 115.700 -0.179 0.000 2.502 419 S HA 0.021 4.491 4.470 0.000 0.000 0.215 419 S C 0.732 175.212 174.600 -0.200 0.000 1.009 419 S CA -0.377 57.756 58.200 -0.112 0.000 0.908 419 S CB -0.249 62.903 63.200 -0.080 0.000 0.801 419 S HN 0.622 nan 8.310 nan 0.000 0.505 420 Q N 4.838 124.319 119.800 -0.532 0.000 2.282 420 Q HA 0.185 4.525 4.340 0.000 0.000 0.276 420 Q C -2.349 173.608 176.000 -0.070 0.000 1.198 420 Q CA -1.841 53.717 55.803 -0.409 0.000 0.943 420 Q CB -0.068 28.184 28.738 -0.810 0.000 1.275 420 Q HN 0.288 nan 8.270 nan 0.000 0.424 421 P HA -0.071 nan 4.420 nan 0.000 0.266 421 P C -0.671 176.687 177.300 0.096 0.000 1.193 421 P CA 0.097 63.230 63.100 0.054 0.000 0.770 421 P CB 0.605 32.323 31.700 0.030 0.000 0.836 422 S N 2.335 118.102 115.700 0.111 0.000 2.576 422 S HA 0.147 4.617 4.470 0.000 0.000 0.276 422 S C 1.256 175.887 174.600 0.050 0.000 1.339 422 S CA -0.513 57.759 58.200 0.120 0.000 1.039 422 S CB 0.813 64.109 63.200 0.160 0.000 0.902 422 S HN 0.308 nan 8.310 nan 0.000 0.516 423 R N 1.017 121.534 120.500 0.029 0.000 2.189 423 R HA 0.132 4.472 4.340 0.000 0.000 0.218 423 R C 0.381 176.615 176.300 -0.111 0.000 1.074 423 R CA 0.315 56.395 56.100 -0.032 0.000 0.991 423 R CB -0.633 29.640 30.300 -0.045 0.000 0.883 423 R HN 0.687 nan 8.270 nan 0.000 0.457 424 M N 2.991 122.485 119.600 -0.177 0.000 2.694 424 M HA -0.080 4.400 4.480 0.000 0.000 0.421 424 M C -1.449 174.640 176.300 -0.351 0.000 1.751 424 M CA -0.597 54.465 55.300 -0.397 0.000 1.081 424 M CB -0.005 32.057 32.600 -0.896 0.000 2.117 424 M HN -0.072 nan 8.290 nan 0.000 0.489 425 P HA -0.041 nan 4.420 nan 0.000 0.242 425 P C 1.193 178.388 177.300 -0.174 0.000 1.197 425 P CA 0.992 63.988 63.100 -0.173 0.000 0.765 425 P CB 0.161 31.780 31.700 -0.135 0.000 0.936 426 I N -1.796 118.611 120.570 -0.272 0.000 2.339 426 I HA -0.079 4.091 4.170 0.000 0.000 0.245 426 I C 1.129 177.221 176.117 -0.040 0.000 1.096 426 I CA 0.369 61.562 61.300 -0.178 0.000 1.408 426 I CB -0.692 37.170 38.000 -0.230 0.000 1.092 426 I HN -0.170 nan 8.210 nan 0.000 0.423 427 Y N 2.869 123.101 120.300 -0.114 0.000 2.459 427 Y HA 0.121 4.671 4.550 0.000 0.000 0.349 427 Y C -1.760 173.956 175.900 -0.307 0.000 1.266 427 Y CA -3.579 54.402 58.100 -0.199 0.000 1.483 427 Y CB -1.274 37.022 38.460 -0.274 0.000 1.362 427 Y HN 0.003 nan 8.280 nan 0.000 0.628 428 P HA 0.066 nan 4.420 nan 0.000 0.271 428 P C 0.046 177.035 177.300 -0.519 0.000 1.218 428 P CA -0.246 62.536 63.100 -0.530 0.000 0.780 428 P CB 0.962 32.050 31.700 -1.021 0.000 0.901 429 K N 1.559 121.805 120.400 -0.257 0.000 2.228 429 K HA -0.130 4.190 4.320 0.000 0.000 0.205 429 K C 1.635 178.221 176.600 -0.023 0.000 1.045 429 K CA 1.769 57.997 56.287 -0.098 0.000 0.931 429 K CB -0.230 32.273 32.500 0.005 0.000 0.727 429 K HN 0.707 nan 8.250 nan 0.000 0.458 430 W N 0.244 121.560 121.300 0.027 0.000 3.204 430 W HA 0.122 4.783 4.660 0.000 0.000 0.249 430 W C 0.104 176.623 176.519 -0.000 0.000 1.322 430 W CA -0.801 56.555 57.345 0.018 0.000 1.593 430 W CB -0.669 28.807 29.460 0.026 0.000 1.122 430 W HN -0.071 nan 8.180 nan 0.000 0.710 431 M N 3.114 122.650 119.600 -0.107 0.000 2.238 431 M HA 0.365 4.845 4.480 0.000 0.000 0.350 431 M C 0.626 176.936 176.300 0.017 0.000 1.321 431 M CA 0.379 55.587 55.300 -0.153 0.000 1.097 431 M CB 0.868 33.267 32.600 -0.335 0.000 1.713 431 M HN 0.061 nan 8.290 nan 0.000 0.455 432 G N 2.908 111.741 108.800 0.055 0.000 2.945 432 G HA2 0.690 4.651 3.960 0.000 0.000 0.156 432 G HA3 0.690 4.651 3.960 0.000 0.000 0.156 432 G C -1.139 173.808 174.900 0.079 0.000 1.375 432 G CA -0.315 44.832 45.100 0.079 0.000 1.039 432 G HN 0.986 nan 8.290 nan 0.000 0.586 433 A N 0.522 123.416 122.820 0.122 0.000 2.539 433 A HA 0.457 4.777 4.320 0.000 0.000 0.306 433 A C 0.040 177.721 177.584 0.162 0.000 1.392 433 A CA -0.235 51.920 52.037 0.197 0.000 1.060 433 A CB -0.362 18.837 19.000 0.333 0.000 1.134 433 A HN 0.461 nan 8.150 nan 0.000 0.542 434 D N 0.745 121.224 120.400 0.130 0.000 2.369 434 D HA 0.082 4.722 4.640 0.000 0.000 0.241 434 D C 0.371 176.741 176.300 0.117 0.000 1.271 434 D CA 0.131 54.201 54.000 0.116 0.000 0.942 434 D CB 0.358 41.230 40.800 0.120 0.000 1.129 434 D HN 0.643 nan 8.370 nan 0.000 0.476 435 H N 0.198 119.237 119.070 -0.051 0.000 2.871 435 H HA 0.292 4.848 4.556 0.000 0.000 0.355 435 H C 0.857 176.153 175.328 -0.053 0.000 1.092 435 H CA 1.128 57.103 56.048 -0.122 0.000 1.420 435 H CB 0.392 30.043 29.762 -0.185 0.000 1.400 435 H HN 0.460 nan 8.280 nan 0.000 0.604 436 A N 3.575 126.165 122.820 -0.383 0.000 3.413 436 A HA -0.305 4.016 4.320 0.000 0.000 0.268 436 A C 1.878 179.414 177.584 -0.081 0.000 1.128 436 A CA 1.550 53.448 52.037 -0.231 0.000 1.062 436 A CB -2.068 16.837 19.000 -0.158 0.000 1.121 436 A HN 0.789 nan 8.150 nan 0.000 0.895 437 D N 0.721 121.087 120.400 -0.057 0.000 2.264 437 D HA -0.077 4.563 4.640 0.000 0.000 0.208 437 D C 1.767 177.979 176.300 -0.147 0.000 0.966 437 D CA 1.308 55.315 54.000 0.012 0.000 0.864 437 D CB -0.290 40.588 40.800 0.130 0.000 0.933 437 D HN 0.861 nan 8.370 nan 0.000 0.499 438 D N 0.715 120.832 120.400 -0.471 0.000 2.144 438 D HA -0.162 4.478 4.640 0.000 0.000 0.200 438 D C 2.265 178.399 176.300 -0.276 0.000 0.978 438 D CA 0.329 53.840 54.000 -0.815 0.000 0.833 438 D CB -0.698 39.694 40.800 -0.679 0.000 0.961 438 D HN 0.239 nan 8.370 nan 0.000 0.470 439 L N 1.191 122.365 121.223 -0.082 0.000 1.980 439 L HA -0.358 3.982 4.340 0.000 0.000 0.232 439 L C 3.079 179.990 176.870 0.067 0.000 1.092 439 L CA 2.691 57.570 54.840 0.064 0.000 0.808 439 L CB -1.027 41.153 42.059 0.201 0.000 0.908 439 L HN 0.190 nan 8.230 nan 0.000 0.442 440 Q N -0.984 118.845 119.800 0.049 0.000 2.133 440 Q HA -0.290 4.051 4.340 0.000 0.000 0.208 440 Q C 2.074 177.932 176.000 -0.236 0.000 0.991 440 Q CA 2.400 58.163 55.803 -0.066 0.000 0.867 440 Q CB -0.853 27.807 28.738 -0.129 0.000 0.911 440 Q HN 0.544 nan 8.270 nan 0.000 0.417 441 Y N 1.040 121.249 120.300 -0.151 0.000 2.200 441 Y HA -0.126 4.424 4.550 0.000 0.000 0.290 441 Y C 2.538 178.257 175.900 -0.302 0.000 1.137 441 Y CA 1.140 59.118 58.100 -0.203 0.000 1.163 441 Y CB -0.121 38.303 38.460 -0.060 0.000 0.988 441 Y HN -0.053 nan 8.280 nan 0.000 0.518 442 V N -1.348 118.399 119.914 -0.279 0.000 2.515 442 V HA -0.252 3.868 4.120 0.000 0.000 0.250 442 V C 1.281 177.016 176.094 -0.599 0.000 1.058 442 V CA 1.417 63.355 62.300 -0.603 0.000 1.064 442 V CB -0.657 30.677 31.823 -0.816 0.000 0.675 442 V HN 0.254 nan 8.190 nan 0.000 0.461 443 F N 0.725 120.514 119.950 -0.268 0.000 2.692 443 F HA 0.434 4.961 4.527 0.000 0.000 0.303 443 F C 1.851 177.545 175.800 -0.178 0.000 1.114 443 F CA 0.329 58.187 58.000 -0.236 0.000 1.361 443 F CB -0.361 38.502 39.000 -0.228 0.000 1.063 443 F HN 0.259 nan 8.300 nan 0.000 0.550 444 G N 0.406 109.168 108.800 -0.063 0.000 2.168 444 G HA2 -0.450 3.510 3.960 0.000 0.000 0.257 444 G HA3 -0.450 3.510 3.960 0.000 0.000 0.257 444 G C 1.457 176.265 174.900 -0.154 0.000 0.997 444 G CA 0.773 45.856 45.100 -0.028 0.000 0.708 444 G HN 0.294 nan 8.290 nan 0.000 0.520 445 K N 0.874 121.133 120.400 -0.235 0.000 2.127 445 K HA -0.071 4.249 4.320 0.000 0.000 0.208 445 K C 0.045 176.264 176.600 -0.635 0.000 1.047 445 K CA 2.001 58.123 56.287 -0.275 0.000 0.927 445 K CB -0.890 31.503 32.500 -0.179 0.000 0.716 445 K HN 0.461 nan 8.250 nan 0.000 0.450 446 P HA -0.073 nan 4.420 nan 0.000 0.222 446 P C 0.572 177.463 177.300 -0.681 0.000 1.147 446 P CA 1.053 63.213 63.100 -1.567 0.000 0.790 446 P CB 0.052 30.860 31.700 -1.488 0.000 0.780 447 F N -1.045 118.751 119.950 -0.256 0.000 2.446 447 F HA 0.257 4.784 4.527 0.000 0.000 0.292 447 F C 2.337 178.106 175.800 -0.052 0.000 1.096 447 F CA 0.340 58.274 58.000 -0.109 0.000 1.438 447 F CB -1.481 37.468 39.000 -0.086 0.000 1.107 447 F HN -0.157 nan 8.300 nan 0.000 0.546 448 A N -1.280 121.606 122.820 0.110 0.000 1.929 448 A HA -0.053 4.267 4.320 0.000 0.000 0.216 448 A C 1.499 179.136 177.584 0.088 0.000 1.176 448 A CA 1.889 53.980 52.037 0.091 0.000 0.628 448 A CB -0.722 18.319 19.000 0.068 0.000 0.816 448 A HN 0.216 nan 8.150 nan 0.000 0.444 449 T N -0.833 113.779 114.554 0.095 0.000 3.504 449 T HA 0.437 4.787 4.350 0.000 0.000 0.286 449 T C -2.136 172.707 174.700 0.238 0.000 1.530 449 T CA -1.311 60.877 62.100 0.147 0.000 1.652 449 T CB 0.354 69.315 68.868 0.156 0.000 0.895 449 T HN 0.013 nan 8.240 nan 0.000 0.674 450 P HA -0.112 nan 4.420 nan 0.000 0.216 450 P C 0.612 178.014 177.300 0.171 0.000 1.167 450 P CA 0.506 63.711 63.100 0.176 0.000 0.914 450 P CB 0.043 31.818 31.700 0.125 0.000 0.793 451 L N -0.617 120.659 121.223 0.088 0.000 2.559 451 L HA 0.251 4.591 4.340 0.000 0.000 0.274 451 L C 1.290 178.129 176.870 -0.051 0.000 1.205 451 L CA 1.625 56.478 54.840 0.022 0.000 0.907 451 L CB -0.830 41.231 42.059 0.004 0.000 1.153 451 L HN 0.455 nan 8.230 nan 0.000 0.490 452 G N 2.199 110.930 108.800 -0.115 0.000 2.179 452 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 452 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 452 G C -0.332 174.280 174.900 -0.480 0.000 0.990 452 G CA 0.045 44.967 45.100 -0.297 0.000 0.646 452 G HN 0.581 nan 8.290 nan 0.000 0.517 453 Y N -0.538 119.719 120.300 -0.072 0.000 2.524 453 Y HA 0.821 5.371 4.550 0.000 0.000 0.347 453 Y C 0.407 176.279 175.900 -0.048 0.000 1.005 453 Y CA -1.088 56.962 58.100 -0.083 0.000 1.025 453 Y CB 1.712 40.089 38.460 -0.137 0.000 1.275 453 Y HN 0.224 nan 8.280 nan 0.000 0.460 454 R N -0.067 120.523 120.500 0.150 0.000 2.939 454 R HA 0.777 5.117 4.340 0.000 0.000 0.254 454 R C 0.895 177.241 176.300 0.077 0.000 1.123 454 R CA -0.246 55.906 56.100 0.086 0.000 1.020 454 R CB 0.508 30.843 30.300 0.059 0.000 1.206 454 R HN 0.726 nan 8.270 nan 0.000 0.491 455 A N 0.783 123.641 122.820 0.063 0.000 1.894 455 A HA -0.363 3.958 4.320 0.000 0.000 0.220 455 A C 1.710 179.328 177.584 0.056 0.000 1.237 455 A CA 2.445 54.518 52.037 0.061 0.000 0.660 455 A CB -0.926 18.105 19.000 0.051 0.000 0.835 455 A HN 0.774 nan 8.150 nan 0.000 0.461 456 Q N 0.385 120.217 119.800 0.053 0.000 2.082 456 Q HA -0.230 4.110 4.340 0.000 0.000 0.211 456 Q C 1.627 177.675 176.000 0.080 0.000 1.002 456 Q CA 2.041 57.873 55.803 0.049 0.000 0.868 456 Q CB -0.708 28.056 28.738 0.043 0.000 0.931 456 Q HN 0.750 nan 8.270 nan 0.000 0.414 457 D N 0.141 120.621 120.400 0.133 0.000 2.149 457 D HA -0.154 4.486 4.640 0.000 0.000 0.198 457 D C 1.827 178.105 176.300 -0.036 0.000 0.990 457 D CA 1.151 55.285 54.000 0.224 0.000 0.839 457 D CB -0.240 40.689 40.800 0.215 0.000 0.948 457 D HN 0.281 nan 8.370 nan 0.000 0.460 458 R N 0.023 120.440 120.500 -0.138 0.000 2.189 458 R HA 0.006 4.346 4.340 0.000 0.000 0.218 458 R C 2.138 178.434 176.300 -0.007 0.000 1.074 458 R CA 0.892 56.798 56.100 -0.324 0.000 0.991 458 R CB 0.012 30.296 30.300 -0.027 0.000 0.883 458 R HN 0.148 nan 8.270 nan 0.000 0.457 459 T N 0.171 114.757 114.554 0.053 0.000 2.809 459 T HA -0.050 4.300 4.350 0.000 0.000 0.260 459 T C 1.970 176.708 174.700 0.064 0.000 1.039 459 T CA 1.039 63.186 62.100 0.079 0.000 1.141 459 T CB -0.068 68.827 68.868 0.046 0.000 0.869 459 T HN -0.036 nan 8.240 nan 0.000 0.437 460 V N 1.468 121.409 119.914 0.045 0.000 2.295 460 V HA -0.167 3.953 4.120 0.000 0.000 0.246 460 V C 2.749 178.908 176.094 0.108 0.000 1.049 460 V CA 1.896 64.200 62.300 0.008 0.000 1.024 460 V CB -1.025 30.692 31.823 -0.177 0.000 0.648 460 V HN 0.476 nan 8.190 nan 0.000 0.447 461 S N -0.378 115.428 115.700 0.176 0.000 2.359 461 S HA -0.342 4.128 4.470 0.000 0.000 0.222 461 S C 2.162 176.818 174.600 0.093 0.000 1.038 461 S CA 2.470 60.693 58.200 0.038 0.000 1.051 461 S CB -0.339 62.613 63.200 -0.413 0.000 0.944 461 S HN 0.581 nan 8.310 nan 0.000 0.433 462 K N 0.404 120.936 120.400 0.221 0.000 2.063 462 K HA -0.093 4.227 4.320 0.000 0.000 0.208 462 K C 2.192 178.852 176.600 0.100 0.000 1.048 462 K CA 1.276 57.735 56.287 0.287 0.000 0.928 462 K CB -0.519 32.179 32.500 0.330 0.000 0.713 462 K HN 0.417 nan 8.250 nan 0.000 0.442 463 A N 1.121 123.987 122.820 0.076 0.000 1.835 463 A HA -0.216 4.105 4.320 0.000 0.000 0.215 463 A C 2.168 179.843 177.584 0.152 0.000 1.199 463 A CA 2.030 54.094 52.037 0.044 0.000 0.615 463 A CB -0.613 18.468 19.000 0.136 0.000 0.838 463 A HN 0.313 nan 8.150 nan 0.000 0.444 464 M N -0.565 119.143 119.600 0.181 0.000 2.073 464 M HA -0.165 4.315 4.480 0.000 0.000 0.258 464 M C 2.141 178.451 176.300 0.017 0.000 1.070 464 M CA 1.830 57.191 55.300 0.101 0.000 1.103 464 M CB -0.781 31.648 32.600 -0.285 0.000 1.321 464 M HN 0.390 nan 8.290 nan 0.000 0.405 465 I N 0.257 120.780 120.570 -0.079 0.000 2.423 465 I HA -0.240 3.930 4.170 0.000 0.000 0.254 465 I C 2.673 178.809 176.117 0.032 0.000 1.151 465 I CA 0.980 62.236 61.300 -0.074 0.000 1.421 465 I CB -0.649 37.334 38.000 -0.028 0.000 1.079 465 I HN 0.278 nan 8.210 nan 0.000 0.431 466 A N 0.271 123.106 122.820 0.027 0.000 1.897 466 A HA -0.152 4.168 4.320 0.000 0.000 0.215 466 A C 2.063 179.662 177.584 0.025 0.000 1.181 466 A CA 1.192 53.203 52.037 -0.042 0.000 0.620 466 A CB -0.694 18.180 19.000 -0.210 0.000 0.821 466 A HN 0.306 nan 8.150 nan 0.000 0.443 467 Y N -1.594 118.848 120.300 0.237 0.000 2.092 467 Y HA -0.204 4.346 4.550 0.000 0.000 0.282 467 Y C 2.533 178.614 175.900 0.302 0.000 1.126 467 Y CA 1.135 59.425 58.100 0.317 0.000 1.111 467 Y CB -0.827 37.958 38.460 0.543 0.000 0.987 467 Y HN 0.399 nan 8.280 nan 0.000 0.489 468 W N 0.884 122.249 121.300 0.108 0.000 2.290 468 W HA -0.339 4.321 4.660 0.000 0.000 0.323 468 W C 2.631 179.138 176.519 -0.019 0.000 1.260 468 W CA 2.285 59.604 57.345 -0.043 0.000 1.266 468 W CB -0.899 28.429 29.460 -0.221 0.000 1.149 468 W HN 0.277 nan 8.180 nan 0.000 0.482 469 T N -1.849 112.828 114.554 0.205 0.000 2.746 469 T HA -0.209 4.142 4.350 0.000 0.000 0.267 469 T C 1.491 176.242 174.700 0.086 0.000 1.039 469 T CA 1.467 63.620 62.100 0.088 0.000 1.142 469 T CB -0.776 68.123 68.868 0.051 0.000 0.866 469 T HN 0.018 nan 8.240 nan 0.000 0.444 470 N N 0.638 119.410 118.700 0.119 0.000 2.120 470 N HA -0.019 4.721 4.740 0.000 0.000 0.188 470 N C 1.498 177.052 175.510 0.074 0.000 1.024 470 N CA 1.081 54.187 53.050 0.094 0.000 0.852 470 N CB -0.584 37.964 38.487 0.102 0.000 1.003 470 N HN 0.414 nan 8.380 nan 0.000 0.424 471 F N 2.072 121.978 119.950 -0.074 0.000 2.069 471 F HA -0.150 4.377 4.527 0.000 0.000 0.298 471 F C 2.300 178.033 175.800 -0.111 0.000 1.113 471 F CA 1.481 59.381 58.000 -0.167 0.000 1.214 471 F CB -0.722 38.094 39.000 -0.307 0.000 0.978 471 F HN 0.032 nan 8.300 nan 0.000 0.474 472 A N 0.009 122.779 122.820 -0.082 0.000 1.986 472 A HA -0.244 4.076 4.320 0.000 0.000 0.220 472 A C 2.393 179.896 177.584 -0.136 0.000 1.171 472 A CA 2.002 53.958 52.037 -0.134 0.000 0.640 472 A CB -0.810 18.169 19.000 -0.035 0.000 0.811 472 A HN 0.518 nan 8.150 nan 0.000 0.451 473 R N -1.237 119.208 120.500 -0.091 0.000 2.075 473 R HA -0.057 4.283 4.340 0.000 0.000 0.220 473 R C 2.176 178.425 176.300 -0.086 0.000 1.118 473 R CA 1.840 57.902 56.100 -0.063 0.000 0.986 473 R CB -0.074 30.218 30.300 -0.012 0.000 0.884 473 R HN 0.637 nan 8.270 nan 0.000 0.439 474 T N -4.896 109.599 114.554 -0.098 0.000 2.999 474 T HA 0.309 4.659 4.350 0.000 0.000 0.247 474 T C 1.301 175.913 174.700 -0.147 0.000 1.012 474 T CA 0.494 62.543 62.100 -0.086 0.000 1.048 474 T CB 1.180 70.033 68.868 -0.025 0.000 1.020 474 T HN 0.385 nan 8.240 nan 0.000 0.478 475 G N 1.321 109.953 108.800 -0.281 0.000 2.218 475 G HA2 -0.158 3.802 3.960 0.000 0.000 0.216 475 G HA3 -0.158 3.802 3.960 0.000 0.000 0.216 475 G C -0.291 174.580 174.900 -0.047 0.000 0.994 475 G CA 0.027 44.872 45.100 -0.425 0.000 0.637 475 G HN 0.705 nan 8.290 nan 0.000 0.505 476 D N 1.185 121.592 120.400 0.013 0.000 2.329 476 D HA 0.547 5.187 4.640 0.000 0.000 0.232 476 D C -1.275 175.032 176.300 0.013 0.000 1.088 476 D CA -2.212 51.818 54.000 0.050 0.000 0.835 476 D CB 1.751 42.607 40.800 0.095 0.000 1.078 476 D HN 0.047 nan 8.370 nan 0.000 0.495 477 P HA -0.036 nan 4.420 nan 0.000 0.234 477 P C 0.366 177.840 177.300 0.290 0.000 1.162 477 P CA 0.740 63.829 63.100 -0.019 0.000 0.759 477 P CB 0.303 31.737 31.700 -0.444 0.000 0.813 478 N N -2.441 116.371 118.700 0.187 0.000 2.332 478 N HA 0.051 4.792 4.740 0.000 0.000 0.190 478 N C 0.229 175.794 175.510 0.092 0.000 1.117 478 N CA 0.603 53.758 53.050 0.174 0.000 0.883 478 N CB 0.331 38.932 38.487 0.189 0.000 1.089 478 N HN 0.059 nan 8.380 nan 0.000 0.480 479 T N 0.430 115.032 114.554 0.079 0.000 2.794 479 T HA 0.663 5.013 4.350 0.000 0.000 0.280 479 T C 0.582 175.309 174.700 0.045 0.000 0.987 479 T CA -0.279 61.853 62.100 0.054 0.000 0.993 479 T CB 2.025 70.924 68.868 0.051 0.000 0.939 479 T HN 0.373 nan 8.240 nan 0.000 0.449 480 G N 1.456 110.280 108.800 0.040 0.000 2.480 480 G HA2 -0.054 3.906 3.960 0.000 0.000 0.109 480 G HA3 -0.054 3.906 3.960 0.000 0.000 0.109 480 G C 0.246 175.189 174.900 0.073 0.000 1.172 480 G CA -0.529 44.605 45.100 0.057 0.000 1.091 480 G HN 0.626 nan 8.290 nan 0.000 0.464 481 H N 1.128 120.198 119.070 0.001 0.000 2.551 481 H HA 0.457 5.013 4.556 0.000 0.000 0.266 481 H C 0.254 175.577 175.328 -0.008 0.000 0.977 481 H CA 1.648 57.696 56.048 -0.000 0.000 1.163 481 H CB 0.181 29.944 29.762 0.002 0.000 1.381 481 H HN 0.296 nan 8.280 nan 0.000 0.581 482 S N -0.627 115.080 115.700 0.012 0.000 2.651 482 S HA 0.345 4.815 4.470 0.000 0.000 0.279 482 S C -0.644 173.924 174.600 -0.054 0.000 1.148 482 S CA -0.839 57.337 58.200 -0.040 0.000 0.837 482 S CB 2.317 65.520 63.200 0.006 0.000 1.138 482 S HN 0.205 nan 8.310 nan 0.000 0.478 483 T N 1.066 115.578 114.554 -0.071 0.000 2.902 483 T HA 0.617 4.967 4.350 0.000 0.000 0.283 483 T C -0.063 174.567 174.700 -0.117 0.000 1.009 483 T CA -0.803 61.256 62.100 -0.069 0.000 1.051 483 T CB 1.026 69.862 68.868 -0.054 0.000 0.999 483 T HN 0.655 nan 8.240 nan 0.000 0.474 484 V N 0.845 120.689 119.914 -0.117 0.000 2.398 484 V HA 0.455 4.576 4.120 0.000 0.000 0.286 484 V C -1.444 174.607 176.094 -0.071 0.000 1.026 484 V CA -2.003 60.171 62.300 -0.210 0.000 0.868 484 V CB 0.982 32.710 31.823 -0.159 0.000 0.982 484 V HN 0.704 nan 8.190 nan 0.000 0.443 485 P HA 0.107 nan 4.420 nan 0.000 0.222 485 P C 0.430 177.761 177.300 0.051 0.000 1.147 485 P CA 1.359 64.462 63.100 0.005 0.000 0.790 485 P CB 0.415 32.119 31.700 0.006 0.000 0.780 486 A N -0.201 122.692 122.820 0.122 0.000 2.486 486 A HA 0.412 4.732 4.320 0.000 0.000 0.300 486 A C -0.611 177.100 177.584 0.212 0.000 1.048 486 A CA -0.705 51.406 52.037 0.123 0.000 0.696 486 A CB 1.047 20.092 19.000 0.076 0.000 1.278 486 A HN -0.042 nan 8.150 nan 0.000 0.405 487 N N 1.841 120.639 118.700 0.163 0.000 2.497 487 N HA 0.060 4.800 4.740 0.000 0.000 0.271 487 N C -1.186 174.482 175.510 0.264 0.000 1.142 487 N CA -0.009 53.177 53.050 0.226 0.000 0.965 487 N CB 0.616 39.201 38.487 0.162 0.000 1.077 487 N HN 0.669 nan 8.380 nan 0.000 0.462 488 W N 5.221 126.619 121.300 0.164 0.000 2.311 488 W HA 0.296 4.956 4.660 0.000 0.000 0.317 488 W C -0.663 175.992 176.519 0.227 0.000 1.065 488 W CA -0.885 56.529 57.345 0.116 0.000 1.364 488 W CB -0.114 29.342 29.460 -0.008 0.000 1.233 488 W HN 0.439 nan 8.180 nan 0.000 0.409 489 D N 7.790 128.513 120.400 0.538 0.000 2.304 489 D HA 0.128 4.768 4.640 0.000 0.000 0.250 489 D C -1.964 174.545 176.300 0.349 0.000 1.107 489 D CA -0.848 53.370 54.000 0.364 0.000 0.885 489 D CB 1.465 42.370 40.800 0.176 0.000 1.192 489 D HN 0.103 nan 8.370 nan 0.000 0.436 490 P HA -0.064 nan 4.420 nan 0.000 0.268 490 P C -0.340 176.880 177.300 -0.134 0.000 1.204 490 P CA -0.159 62.714 63.100 -0.378 0.000 0.768 490 P CB 0.316 31.809 31.700 -0.344 0.000 0.842 491 Y N 3.421 123.567 120.300 -0.256 0.000 2.702 491 Y HA 0.145 4.695 4.550 0.000 0.000 0.336 491 Y C 0.291 176.153 175.900 -0.063 0.000 1.235 491 Y CA 1.070 59.118 58.100 -0.087 0.000 1.492 491 Y CB 0.313 38.729 38.460 -0.074 0.000 1.308 491 Y HN 0.457 nan 8.280 nan 0.000 0.589 492 T N 4.404 118.391 114.554 -0.944 0.000 2.916 492 T HA 0.346 4.696 4.350 0.000 0.000 0.298 492 T C 0.524 174.672 174.700 -0.920 0.000 1.031 492 T CA -0.908 60.813 62.100 -0.631 0.000 0.993 492 T CB 1.279 69.963 68.868 -0.308 0.000 1.045 492 T HN 0.752 nan 8.240 nan 0.000 0.454 493 L N 0.761 121.757 121.223 -0.378 0.000 2.046 493 L HA -0.087 4.253 4.340 0.000 0.000 0.208 493 L C 2.579 179.397 176.870 -0.088 0.000 1.077 493 L CA 1.520 56.296 54.840 -0.106 0.000 0.747 493 L CB -0.502 41.596 42.059 0.065 0.000 0.896 493 L HN 0.690 nan 8.230 nan 0.000 0.432 494 E N 0.287 120.431 120.200 -0.093 0.000 2.023 494 E HA -0.216 4.134 4.350 0.000 0.000 0.196 494 E C 1.778 178.386 176.600 0.015 0.000 1.003 494 E CA 1.737 58.126 56.400 -0.018 0.000 0.809 494 E CB -0.285 29.396 29.700 -0.031 0.000 0.755 494 E HN 0.452 nan 8.360 nan 0.000 0.449 495 D N -0.464 119.853 120.400 -0.138 0.000 2.249 495 D HA -0.025 4.615 4.640 0.000 0.000 0.205 495 D C -0.080 175.953 176.300 -0.444 0.000 0.962 495 D CA 0.849 54.701 54.000 -0.247 0.000 0.860 495 D CB -0.064 40.607 40.800 -0.215 0.000 0.955 495 D HN 0.123 nan 8.370 nan 0.000 0.505 496 D N 1.023 121.206 120.400 -0.362 0.000 2.686 496 D HA -0.176 4.464 4.640 0.000 0.000 0.235 496 D C -1.084 175.174 176.300 -0.069 0.000 1.160 496 D CA 0.214 54.101 54.000 -0.187 0.000 0.645 496 D CB -1.173 39.678 40.800 0.086 0.000 1.039 496 D HN 0.273 nan 8.370 nan 0.000 0.423 497 N N 1.112 119.720 118.700 -0.154 0.000 2.458 497 N HA 0.323 5.063 4.740 0.000 0.000 0.270 497 N C -0.361 175.256 175.510 0.177 0.000 1.102 497 N CA -0.277 52.740 53.050 -0.055 0.000 0.967 497 N CB 0.399 38.819 38.487 -0.112 0.000 1.078 497 N HN 0.412 nan 8.380 nan 0.000 0.471 498 Y N -0.515 119.819 120.300 0.058 0.000 2.499 498 Y HA 0.632 5.182 4.550 0.000 0.000 0.347 498 Y C -0.893 174.990 175.900 -0.029 0.000 0.987 498 Y CA -1.805 56.354 58.100 0.099 0.000 1.044 498 Y CB 0.997 39.509 38.460 0.085 0.000 1.245 498 Y HN 0.387 nan 8.280 nan 0.000 0.461 499 L N 3.497 124.689 121.223 -0.051 0.000 2.261 499 L HA 0.374 4.714 4.340 0.000 0.000 0.289 499 L C -0.015 176.743 176.870 -0.186 0.000 1.059 499 L CA -0.084 54.493 54.840 -0.439 0.000 0.816 499 L CB 0.574 41.828 42.059 -1.342 0.000 1.191 499 L HN 0.872 nan 8.230 nan 0.000 0.431 500 E N 4.815 124.929 120.200 -0.143 0.000 2.354 500 E HA 0.356 4.706 4.350 0.000 0.000 0.269 500 E C -1.059 175.459 176.600 -0.138 0.000 1.036 500 E CA -0.126 56.279 56.400 0.009 0.000 0.876 500 E CB 0.699 30.403 29.700 0.006 0.000 1.009 500 E HN 0.634 nan 8.360 nan 0.000 0.416 501 I N 5.675 126.170 120.570 -0.125 0.000 2.410 501 I HA 0.383 4.553 4.170 0.000 0.000 0.286 501 I C -0.373 175.496 176.117 -0.413 0.000 1.009 501 I CA -0.753 60.399 61.300 -0.247 0.000 1.111 501 I CB 0.998 38.874 38.000 -0.208 0.000 1.262 501 I HN 0.603 nan 8.210 nan 0.000 0.443 502 N N 5.862 124.362 118.700 -0.335 0.000 3.356 502 N HA 0.132 4.872 4.740 0.000 0.000 0.246 502 N C 0.140 175.520 175.510 -0.216 0.000 1.480 502 N CA -0.850 51.975 53.050 -0.375 0.000 0.877 502 N CB 1.069 39.364 38.487 -0.319 0.000 1.431 502 N HN 0.470 nan 8.380 nan 0.000 0.500 503 K N 0.059 120.352 120.400 -0.179 0.000 2.056 503 K HA -0.307 4.013 4.320 0.000 0.000 0.225 503 K C 0.461 177.022 176.600 -0.064 0.000 1.053 503 K CA 1.903 58.134 56.287 -0.093 0.000 0.966 503 K CB -1.053 31.409 32.500 -0.064 0.000 0.735 503 K HN 0.784 nan 8.250 nan 0.000 0.455 504 Q N 1.392 121.153 119.800 -0.065 0.000 2.348 504 Q HA 0.142 4.482 4.340 0.000 0.000 0.251 504 Q C -0.535 175.433 176.000 -0.053 0.000 1.113 504 Q CA 0.181 55.955 55.803 -0.047 0.000 0.902 504 Q CB 0.528 29.241 28.738 -0.042 0.000 1.333 504 Q HN 0.252 nan 8.270 nan 0.000 0.457 505 M N 4.146 123.726 119.600 -0.033 0.000 2.182 505 M HA 0.194 4.674 4.480 0.000 0.000 0.285 505 M C -0.969 175.326 176.300 -0.008 0.000 0.956 505 M CA -0.351 54.935 55.300 -0.023 0.000 0.878 505 M CB 0.409 33.017 32.600 0.013 0.000 1.373 505 M HN 0.666 nan 8.290 nan 0.000 0.393 506 D N 0.440 120.828 120.400 -0.021 0.000 3.305 506 D HA 0.298 4.938 4.640 0.000 0.000 0.221 506 D C 1.156 177.448 176.300 -0.014 0.000 1.187 506 D CA 0.066 54.058 54.000 -0.013 0.000 1.276 506 D CB 0.076 40.866 40.800 -0.016 0.000 0.924 506 D HN 0.288 nan 8.370 nan 0.000 0.189 507 S N -1.582 114.105 115.700 -0.022 0.000 2.665 507 S HA 0.096 4.566 4.470 0.000 0.000 0.240 507 S C 1.302 175.875 174.600 -0.046 0.000 1.081 507 S CA -0.343 57.843 58.200 -0.024 0.000 0.887 507 S CB -0.407 62.785 63.200 -0.014 0.000 0.805 507 S HN 0.172 nan 8.310 nan 0.000 0.486 508 N N 2.805 121.475 118.700 -0.050 0.000 2.512 508 N HA 0.088 4.828 4.740 0.000 0.000 0.183 508 N C 1.415 176.864 175.510 -0.102 0.000 1.073 508 N CA 0.937 53.947 53.050 -0.066 0.000 0.911 508 N CB -0.608 37.849 38.487 -0.051 0.000 0.964 508 N HN 0.405 nan 8.380 nan 0.000 0.447 509 S N 0.854 116.492 115.700 -0.104 0.000 2.380 509 S HA -0.098 4.372 4.470 0.000 0.000 0.229 509 S C 1.045 175.509 174.600 -0.226 0.000 1.043 509 S CA 0.893 59.006 58.200 -0.146 0.000 1.038 509 S CB -0.124 62.997 63.200 -0.132 0.000 0.872 509 S HN 0.359 nan 8.310 nan 0.000 0.456 510 M N 2.495 121.968 119.600 -0.212 0.000 2.341 510 M HA 0.136 4.617 4.480 0.000 0.000 0.336 510 M C -0.223 175.879 176.300 -0.330 0.000 1.489 510 M CA 0.415 55.553 55.300 -0.271 0.000 1.278 510 M CB 0.166 32.671 32.600 -0.158 0.000 1.657 510 M HN 0.170 nan 8.290 nan 0.000 0.455 511 K N 2.670 122.711 120.400 -0.598 0.000 2.177 511 K HA 0.789 5.109 4.320 0.000 0.000 0.238 511 K C -1.010 175.210 176.600 -0.633 0.000 1.015 511 K CA -0.836 55.078 56.287 -0.621 0.000 0.922 511 K CB 1.325 33.405 32.500 -0.700 0.000 1.127 511 K HN 0.348 nan 8.250 nan 0.000 0.469 512 L N 0.268 121.308 121.223 -0.305 0.000 2.327 512 L HA 0.332 4.672 4.340 0.000 0.000 0.258 512 L C -0.680 176.206 176.870 0.026 0.000 1.024 512 L CA -0.658 54.053 54.840 -0.214 0.000 0.825 512 L CB 1.153 42.977 42.059 -0.392 0.000 1.386 512 L HN 0.577 nan 8.230 nan 0.000 0.417 513 H N 0.597 119.789 119.070 0.204 0.000 2.673 513 H HA -0.169 4.387 4.556 0.000 0.000 0.318 513 H C -0.522 174.934 175.328 0.213 0.000 0.998 513 H CA 0.009 56.161 56.048 0.174 0.000 1.045 513 H CB -0.769 29.048 29.762 0.092 0.000 1.623 513 H HN 0.357 nan 8.280 nan 0.000 0.359 514 L N 3.158 124.551 121.223 0.283 0.000 2.312 514 L HA 0.200 4.541 4.340 0.000 0.000 0.287 514 L C 0.955 177.899 176.870 0.124 0.000 1.091 514 L CA 0.078 54.987 54.840 0.114 0.000 0.846 514 L CB 0.071 41.934 42.059 -0.328 0.000 1.219 514 L HN 0.524 nan 8.230 nan 0.000 0.439 515 R N 2.092 122.691 120.500 0.165 0.000 3.516 515 R HA -0.232 4.108 4.340 0.000 0.000 0.271 515 R C 1.248 177.669 176.300 0.201 0.000 1.098 515 R CA 0.831 57.065 56.100 0.222 0.000 0.732 515 R CB -2.378 28.105 30.300 0.305 0.000 1.152 515 R HN 0.793 nan 8.270 nan 0.000 0.455 516 T N 1.012 115.657 114.554 0.153 0.000 2.822 516 T HA -0.199 4.151 4.350 0.000 0.000 0.270 516 T C 1.847 176.582 174.700 0.058 0.000 1.064 516 T CA 1.767 63.944 62.100 0.128 0.000 1.131 516 T CB -0.222 68.717 68.868 0.118 0.000 0.858 516 T HN 0.614 nan 8.240 nan 0.000 0.483 517 N N 0.109 118.784 118.700 -0.042 0.000 2.084 517 N HA -0.154 4.586 4.740 0.000 0.000 0.190 517 N C 1.513 176.922 175.510 -0.168 0.000 1.030 517 N CA 1.630 54.566 53.050 -0.190 0.000 0.849 517 N CB -0.940 37.308 38.487 -0.398 0.000 1.012 517 N HN 0.454 nan 8.380 nan 0.000 0.423 518 Y N 1.068 121.401 120.300 0.055 0.000 2.314 518 Y HA 0.110 4.660 4.550 0.000 0.000 0.293 518 Y C 2.619 178.704 175.900 0.309 0.000 1.129 518 Y CA 0.198 58.391 58.100 0.155 0.000 1.201 518 Y CB -0.327 38.243 38.460 0.185 0.000 0.999 518 Y HN 0.042 nan 8.280 nan 0.000 0.541 519 L N 0.588 122.026 121.223 0.358 0.000 2.079 519 L HA -0.287 4.053 4.340 0.000 0.000 0.210 519 L C 2.230 179.229 176.870 0.215 0.000 1.081 519 L CA 2.133 57.142 54.840 0.281 0.000 0.752 519 L CB -0.609 41.564 42.059 0.191 0.000 0.896 519 L HN 0.392 nan 8.230 nan 0.000 0.433 520 Q N -0.930 118.959 119.800 0.148 0.000 2.049 520 Q HA -0.261 4.079 4.340 0.000 0.000 0.198 520 Q C 2.236 178.293 176.000 0.095 0.000 0.971 520 Q CA 1.859 57.717 55.803 0.090 0.000 0.833 520 Q CB -0.400 28.359 28.738 0.034 0.000 0.896 520 Q HN 0.434 nan 8.270 nan 0.000 0.434 521 F N -0.194 119.731 119.950 -0.041 0.000 2.095 521 F HA -0.198 4.329 4.527 0.000 0.000 0.298 521 F C 1.184 176.964 175.800 -0.033 0.000 1.104 521 F CA 1.812 59.740 58.000 -0.120 0.000 1.232 521 F CB -0.632 38.191 39.000 -0.295 0.000 0.987 521 F HN 0.185 nan 8.300 nan 0.000 0.475 522 W N 0.740 121.863 121.300 -0.294 0.000 2.413 522 W HA -0.110 4.551 4.660 0.000 0.000 0.315 522 W C 3.008 179.426 176.519 -0.168 0.000 1.186 522 W CA 2.137 59.260 57.345 -0.370 0.000 1.326 522 W CB -1.308 28.051 29.460 -0.169 0.000 1.153 522 W HN 0.108 nan 8.180 nan 0.000 0.489 523 T N -1.556 113.096 114.554 0.164 0.000 2.788 523 T HA -0.218 4.132 4.350 0.000 0.000 0.268 523 T C 1.576 176.307 174.700 0.052 0.000 1.044 523 T CA 1.750 63.907 62.100 0.095 0.000 1.139 523 T CB -0.342 68.576 68.868 0.083 0.000 0.867 523 T HN 0.254 nan 8.240 nan 0.000 0.454 524 Q N -0.097 119.721 119.800 0.030 0.000 2.388 524 Q HA 0.103 4.443 4.340 0.000 0.000 0.204 524 Q C 2.517 178.516 176.000 -0.001 0.000 0.946 524 Q CA 1.123 56.936 55.803 0.017 0.000 0.880 524 Q CB 0.227 28.978 28.738 0.021 0.000 0.997 524 Q HN 0.518 nan 8.270 nan 0.000 0.552 525 T N 0.548 115.085 114.554 -0.029 0.000 2.634 525 T HA -0.172 4.178 4.350 0.000 0.000 0.243 525 T C 1.489 176.155 174.700 -0.058 0.000 1.121 525 T CA 1.169 63.255 62.100 -0.023 0.000 1.315 525 T CB -0.911 67.998 68.868 0.068 0.000 0.944 525 T HN 0.261 nan 8.240 nan 0.000 0.402 526 Y N 1.852 121.912 120.300 -0.400 0.000 2.219 526 Y HA -0.259 4.291 4.550 0.000 0.000 0.283 526 Y C 2.756 178.595 175.900 -0.101 0.000 1.191 526 Y CA 1.685 59.604 58.100 -0.302 0.000 1.199 526 Y CB -0.337 37.751 38.460 -0.621 0.000 0.972 526 Y HN 0.157 nan 8.280 nan 0.000 0.527 527 Q N 0.086 119.967 119.800 0.135 0.000 2.119 527 Q HA -0.133 4.207 4.340 0.000 0.000 0.201 527 Q C 2.438 178.436 176.000 -0.002 0.000 0.972 527 Q CA 1.441 57.309 55.803 0.108 0.000 0.847 527 Q CB -0.473 28.322 28.738 0.094 0.000 0.903 527 Q HN 0.616 nan 8.270 nan 0.000 0.433 528 A N 0.617 123.424 122.820 -0.022 0.000 1.969 528 A HA -0.028 4.292 4.320 0.000 0.000 0.218 528 A C 1.212 178.758 177.584 -0.064 0.000 1.169 528 A CA 0.190 52.208 52.037 -0.032 0.000 0.635 528 A CB -0.524 18.465 19.000 -0.019 0.000 0.810 528 A HN 0.349 nan 8.150 nan 0.000 0.445 529 L N 1.693 122.845 121.223 -0.117 0.000 2.559 529 L HA 0.084 4.424 4.340 0.000 0.000 0.282 529 L C -1.885 174.903 176.870 -0.137 0.000 1.232 529 L CA -1.320 53.431 54.840 -0.149 0.000 0.885 529 L CB -0.128 41.779 42.059 -0.253 0.000 1.131 529 L HN 0.210 nan 8.230 nan 0.000 0.498 530 P HA -0.007 nan 4.420 nan 0.000 0.266 530 P C -0.536 176.717 177.300 -0.078 0.000 1.195 530 P CA -0.201 62.857 63.100 -0.070 0.000 0.768 530 P CB 0.347 32.017 31.700 -0.049 0.000 0.838 531 T N 2.462 116.983 114.554 -0.055 0.000 2.779 531 T HA 0.256 4.606 4.350 0.000 0.000 0.296 531 T C 0.435 175.114 174.700 -0.036 0.000 0.938 531 T CA -0.137 61.937 62.100 -0.044 0.000 1.119 531 T CB 0.542 69.394 68.868 -0.027 0.000 0.891 531 T HN 0.206 nan 8.240 nan 0.000 0.526 532 V N 0.000 119.893 119.914 -0.035 0.000 2.409 532 V HA 0.000 4.120 4.120 0.000 0.000 0.244 532 V CA 0.000 62.283 62.300 -0.029 0.000 1.235 532 V CB 0.000 31.805 31.823 -0.030 0.000 1.184 532 V HN 0.000 nan 8.190 nan 0.000 0.556