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 3n25_1_D DATA FIRST_RESID 10 DATA SEQUENCE AFIQTQQLHA AMADTFLEHK CRLDIDSAPI TARNTGIICT IGPASRSVET DATA SEQUENCE LKEMIKSGMN VARMNFSHGT HEYHAETIKN VRTATESFAS DPILYRPVAV DATA SEQUENCE ALDTKGPEIR TGLIKGSGTA EVELKKGATL KITLDNAYME KCDENILWLD DATA SEQUENCE YKNICKVVDV GSKVYVDDGL ISLQVKQKGP DFLVTEVENG GFLGSKKGVN DATA SEQUENCE LPGAAVDLPA VSEKDIQDLK FGVEQDVDMV FASFIRKAAD VHEVRKILGE DATA SEQUENCE KGKNIKIISK IENHEGVRRF DEILEASDGI MVARGDLGIE IPAEKVFLAQ DATA SEQUENCE KMIIGRCNRA GKPVICATQM LESMIKKPRP TRAEGSDVAN AVLDGADCIM DATA SEQUENCE LSGETAKGDY PLEAVRMQHL IAREAEAAMF HRKLFEELAR ASSQSTDLME DATA SEQUENCE AMAMGSVEAS YKCLAAALIV LTESGRSAHQ VARYRPRAPI IAVTRNHQTA DATA SEQUENCE RQAHLYRGIF PVVCKDPVQE AWAEDVDLRV NLAMNVGKAR GFFKKGDVVI DATA SEQUENCE VLTGWRPGSG FTNTMRVVPV P 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.650 177.584 0.111 0.000 1.274 10 A CA 0.000 52.060 52.037 0.038 0.000 0.836 10 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 11 F N 0.779 120.703 119.950 -0.043 0.000 2.467 11 F HA 0.758 5.303 4.527 0.030 0.000 0.336 11 F C -0.682 175.089 175.800 -0.048 0.000 1.123 11 F CA -1.134 56.844 58.000 -0.035 0.000 0.964 11 F CB 0.953 39.940 39.000 -0.023 0.000 1.136 11 F HN 0.438 nan 8.300 nan 0.000 0.447 12 I N 6.205 126.367 120.570 -0.680 0.000 2.337 12 I HA 0.174 4.362 4.170 0.031 0.000 0.291 12 I C 0.026 175.504 176.117 -1.066 0.000 1.046 12 I CA -0.242 60.675 61.300 -0.639 0.000 1.324 12 I CB 0.875 38.664 38.000 -0.351 0.000 1.409 12 I HN 0.555 nan 8.210 nan 0.000 0.494 13 Q N 4.374 123.761 119.800 -0.687 0.000 2.327 13 Q HA 0.186 4.544 4.340 0.031 0.000 0.254 13 Q C 0.427 176.277 176.000 -0.251 0.000 0.952 13 Q CA -0.374 55.151 55.803 -0.464 0.000 0.884 13 Q CB 1.107 29.778 28.738 -0.113 0.000 1.224 13 Q HN 0.722 nan 8.270 nan 0.000 0.422 14 T N -0.573 113.913 114.554 -0.114 0.000 2.701 14 T HA -0.022 4.347 4.350 0.031 0.000 0.303 14 T C 0.494 175.183 174.700 -0.018 0.000 1.030 14 T CA -0.523 61.553 62.100 -0.040 0.000 1.010 14 T CB 0.668 69.557 68.868 0.034 0.000 1.007 14 T HN 0.810 nan 8.240 nan 0.000 0.532 15 Q N 0.187 119.981 119.800 -0.009 0.000 2.461 15 Q HA -0.251 4.107 4.340 0.031 0.000 0.273 15 Q C -0.254 175.755 176.000 0.016 0.000 1.163 15 Q CA 0.665 56.474 55.803 0.011 0.000 0.929 15 Q CB -1.258 27.492 28.738 0.020 0.000 1.334 15 Q HN 0.771 nan 8.270 nan 0.000 0.499 16 Q N -2.160 117.630 119.800 -0.017 0.000 2.434 16 Q HA -0.252 4.106 4.340 0.031 0.000 0.299 16 Q C 0.531 176.522 176.000 -0.015 0.000 1.286 16 Q CA 1.531 57.311 55.803 -0.038 0.000 0.872 16 Q CB -1.808 26.896 28.738 -0.057 0.000 1.193 16 Q HN 0.704 nan 8.270 nan 0.000 0.466 17 L N -1.189 120.038 121.223 0.007 0.000 2.275 17 L HA -0.128 4.231 4.340 0.031 0.000 0.215 17 L C 2.390 179.286 176.870 0.044 0.000 1.119 17 L CA 1.101 55.961 54.840 0.033 0.000 0.790 17 L CB -0.408 41.678 42.059 0.046 0.000 0.919 17 L HN 0.472 nan 8.230 nan 0.000 0.443 18 H N 0.262 119.292 119.070 -0.068 0.000 2.395 18 H HA -0.063 4.515 4.556 0.037 0.000 0.299 18 H C 2.106 177.374 175.328 -0.100 0.000 1.070 18 H CA 1.156 57.160 56.048 -0.072 0.000 1.356 18 H CB 0.522 30.230 29.762 -0.091 0.000 1.401 18 H HN 0.323 nan 8.280 nan 0.000 0.524 19 A N 0.914 123.603 122.820 -0.219 0.000 2.015 19 A HA 0.024 4.362 4.320 0.031 0.000 0.219 19 A C 2.531 179.985 177.584 -0.218 0.000 1.163 19 A CA 1.076 52.860 52.037 -0.422 0.000 0.646 19 A CB -0.681 17.917 19.000 -0.670 0.000 0.806 19 A HN 0.529 nan 8.150 nan 0.000 0.448 20 A N -1.233 121.575 122.820 -0.021 0.000 2.067 20 A HA 0.001 4.339 4.320 0.031 0.000 0.219 20 A C 1.800 179.465 177.584 0.134 0.000 1.158 20 A CA 1.459 53.588 52.037 0.153 0.000 0.661 20 A CB -0.305 18.758 19.000 0.104 0.000 0.801 20 A HN 0.399 nan 8.150 nan 0.000 0.452 21 M N -0.440 119.162 119.600 0.004 0.000 2.383 21 M HA 0.300 4.798 4.480 0.031 0.000 0.247 21 M C 0.882 177.176 176.300 -0.010 0.000 1.117 21 M CA -0.260 55.037 55.300 -0.004 0.000 0.995 21 M CB -1.071 31.502 32.600 -0.046 0.000 1.480 21 M HN 0.364 nan 8.290 nan 0.000 0.485 22 A N 0.861 123.671 122.820 -0.016 0.000 2.425 22 A HA 0.132 4.471 4.320 0.031 0.000 0.242 22 A C 0.795 178.492 177.584 0.189 0.000 1.077 22 A CA 0.086 52.111 52.037 -0.020 0.000 0.781 22 A CB 0.352 19.236 19.000 -0.193 0.000 1.020 22 A HN 0.345 nan 8.150 nan 0.000 0.494 23 D N -0.358 120.122 120.400 0.134 0.000 2.301 23 D HA 0.042 4.701 4.640 0.031 0.000 0.206 23 D C 0.813 177.252 176.300 0.231 0.000 0.979 23 D CA 1.622 55.721 54.000 0.164 0.000 0.874 23 D CB 0.153 41.003 40.800 0.084 0.000 0.968 23 D HN 0.727 nan 8.370 nan 0.000 0.510 24 T N -3.078 111.603 114.554 0.211 0.000 2.932 24 T HA 0.323 4.692 4.350 0.031 0.000 0.289 24 T C 0.840 175.700 174.700 0.266 0.000 1.039 24 T CA -0.774 61.477 62.100 0.251 0.000 1.024 24 T CB 1.470 70.429 68.868 0.152 0.000 1.090 24 T HN -0.245 nan 8.240 nan 0.000 0.496 25 F N 0.462 120.563 119.950 0.252 0.000 2.134 25 F HA 0.020 4.546 4.527 -0.002 0.000 0.299 25 F C 2.139 177.938 175.800 -0.002 0.000 1.097 25 F CA 1.233 59.314 58.000 0.135 0.000 1.264 25 F CB -0.240 38.858 39.000 0.164 0.000 1.001 25 F HN 0.555 nan 8.300 nan 0.000 0.479 26 L N 0.384 121.731 121.223 0.206 0.000 2.012 26 L HA -0.225 4.133 4.340 0.031 0.000 0.210 26 L C 2.209 179.085 176.870 0.011 0.000 1.073 26 L CA 2.026 56.925 54.840 0.098 0.000 0.748 26 L CB -0.952 41.155 42.059 0.079 0.000 0.891 26 L HN 0.212 nan 8.230 nan 0.000 0.431 27 E N -1.558 118.632 120.200 -0.015 0.000 2.085 27 E HA -0.339 4.030 4.350 0.031 0.000 0.194 27 E C 2.191 178.684 176.600 -0.178 0.000 0.994 27 E CA 1.425 57.779 56.400 -0.077 0.000 0.801 27 E CB -0.180 29.484 29.700 -0.060 0.000 0.743 27 E HN 0.749 nan 8.360 nan 0.000 0.453 28 H N 0.472 119.292 119.070 -0.416 0.000 2.319 28 H HA -0.080 4.496 4.556 0.034 0.000 0.299 28 H C 1.963 177.072 175.328 -0.365 0.000 1.092 28 H CA 2.177 57.850 56.048 -0.626 0.000 1.302 28 H CB 0.190 29.140 29.762 -1.353 0.000 1.373 28 H HN -0.020 nan 8.280 nan 0.000 0.497 29 K N -0.571 119.744 120.400 -0.143 0.000 2.020 29 K HA -0.169 4.170 4.320 0.031 0.000 0.212 29 K C 2.399 178.923 176.600 -0.125 0.000 1.050 29 K CA 1.645 57.880 56.287 -0.087 0.000 0.929 29 K CB -0.383 32.127 32.500 0.016 0.000 0.714 29 K HN 0.354 nan 8.250 nan 0.000 0.443 30 C N 0.422 119.659 119.300 -0.104 0.000 2.437 30 C HA -0.010 4.468 4.460 0.031 0.000 0.283 30 C C 2.127 177.058 174.990 -0.099 0.000 1.424 30 C CA 0.424 59.393 59.018 -0.081 0.000 1.782 30 C CB -0.940 26.769 27.740 -0.051 0.000 1.833 30 C HN 0.354 nan 8.230 nan 0.000 0.532 31 R N -0.177 120.222 120.500 -0.169 0.000 2.334 31 R HA 0.231 4.590 4.340 0.031 0.000 0.216 31 R C 0.125 176.329 176.300 -0.160 0.000 0.905 31 R CA -0.112 55.903 56.100 -0.141 0.000 1.064 31 R CB 0.009 30.177 30.300 -0.220 0.000 1.046 31 R HN 0.472 nan 8.270 nan 0.000 0.508 32 L N 2.013 123.110 121.223 -0.208 0.000 2.513 32 L HA 0.008 4.366 4.340 0.031 0.000 0.272 32 L C -0.041 176.763 176.870 -0.110 0.000 1.187 32 L CA 0.426 55.156 54.840 -0.184 0.000 0.895 32 L CB 0.223 42.181 42.059 -0.169 0.000 1.147 32 L HN -0.043 nan 8.230 nan 0.000 0.483 33 D N 3.583 123.924 120.400 -0.098 0.000 2.549 33 D HA 0.207 4.866 4.640 0.031 0.000 0.251 33 D C 0.770 177.027 176.300 -0.071 0.000 1.153 33 D CA -0.542 53.410 54.000 -0.079 0.000 0.861 33 D CB 1.669 42.419 40.800 -0.083 0.000 1.207 33 D HN 0.468 nan 8.370 nan 0.000 0.543 34 I N 0.121 120.655 120.570 -0.060 0.000 2.614 34 I HA -0.006 4.182 4.170 0.031 0.000 0.258 34 I C 0.630 176.716 176.117 -0.052 0.000 1.189 34 I CA 0.818 62.088 61.300 -0.050 0.000 1.462 34 I CB 0.186 38.161 38.000 -0.041 0.000 1.092 34 I HN 0.056 nan 8.210 nan 0.000 0.442 35 D N 1.173 121.536 120.400 -0.063 0.000 2.328 35 D HA 0.063 4.721 4.640 0.031 0.000 0.221 35 D C 0.578 176.824 176.300 -0.089 0.000 1.072 35 D CA 0.337 54.297 54.000 -0.068 0.000 0.850 35 D CB 0.438 41.196 40.800 -0.070 0.000 0.922 35 D HN 0.226 nan 8.370 nan 0.000 0.516 36 S N 0.930 116.576 115.700 -0.090 0.000 2.485 36 S HA 0.415 4.903 4.470 0.031 0.000 0.312 36 S C 0.140 174.700 174.600 -0.067 0.000 1.102 36 S CA -0.695 57.445 58.200 -0.100 0.000 1.066 36 S CB 0.034 63.176 63.200 -0.096 0.000 1.102 36 S HN 0.200 nan 8.310 nan 0.000 0.519 37 A N 7.583 130.367 122.820 -0.061 0.000 2.520 37 A HA 0.446 4.784 4.320 0.031 0.000 0.245 37 A C -1.984 175.587 177.584 -0.022 0.000 1.072 37 A CA -0.978 51.040 52.037 -0.032 0.000 0.761 37 A CB -0.126 18.864 19.000 -0.016 0.000 1.004 37 A HN 0.644 nan 8.150 nan 0.000 0.499 38 P HA 0.353 nan 4.420 nan 0.000 0.276 38 P C 0.096 177.393 177.300 -0.006 0.000 1.261 38 P CA -0.364 62.727 63.100 -0.015 0.000 0.800 38 P CB 0.522 32.205 31.700 -0.028 0.000 1.066 39 I N -2.247 118.318 120.570 -0.008 0.000 3.211 39 I HA 0.192 4.381 4.170 0.031 0.000 0.297 39 I C 1.035 177.148 176.117 -0.007 0.000 1.095 39 I CA -0.316 60.982 61.300 -0.003 0.000 1.239 39 I CB -0.359 37.629 38.000 -0.020 0.000 1.455 39 I HN 0.147 nan 8.210 nan 0.000 0.630 40 T N 2.060 116.630 114.554 0.027 0.000 2.942 40 T HA 0.142 4.511 4.350 0.031 0.000 0.265 40 T C 1.006 175.749 174.700 0.071 0.000 1.062 40 T CA 0.783 62.934 62.100 0.085 0.000 1.139 40 T CB -0.253 68.714 68.868 0.164 0.000 0.883 40 T HN 0.752 nan 8.240 nan 0.000 0.468 41 A N 2.103 124.832 122.820 -0.151 0.000 2.511 41 A HA 0.388 4.727 4.320 0.031 0.000 0.242 41 A C 0.517 178.003 177.584 -0.162 0.000 1.069 41 A CA -0.118 51.662 52.037 -0.429 0.000 0.763 41 A CB 0.131 18.622 19.000 -0.848 0.000 1.001 41 A HN 0.273 nan 8.150 nan 0.000 0.498 42 R N 2.359 122.834 120.500 -0.042 0.000 2.343 42 R HA 0.232 4.590 4.340 0.031 0.000 0.320 42 R C -0.635 175.699 176.300 0.057 0.000 0.956 42 R CA -0.615 55.487 56.100 0.004 0.000 0.836 42 R CB 0.687 31.052 30.300 0.108 0.000 1.151 42 R HN 0.867 nan 8.270 nan 0.000 0.450 43 N N 1.189 119.912 118.700 0.038 0.000 2.405 43 N HA 0.002 4.760 4.740 0.031 0.000 0.175 43 N C -0.372 175.205 175.510 0.112 0.000 1.051 43 N CA 0.556 53.653 53.050 0.079 0.000 0.899 43 N CB 0.562 39.089 38.487 0.067 0.000 1.000 43 N HN 0.445 nan 8.380 nan 0.000 0.451 44 T N 0.813 115.422 114.554 0.091 0.000 2.761 44 T HA 0.375 4.743 4.350 0.031 0.000 0.296 44 T C 0.786 175.545 174.700 0.099 0.000 0.934 44 T CA -0.598 61.553 62.100 0.085 0.000 1.091 44 T CB 1.212 70.114 68.868 0.056 0.000 0.896 44 T HN 0.099 nan 8.240 nan 0.000 0.515 45 G N 2.788 111.647 108.800 0.099 0.000 2.398 45 G HA2 0.453 4.432 3.960 0.031 0.000 0.246 45 G HA3 0.453 4.432 3.960 0.031 0.000 0.246 45 G C -0.359 174.573 174.900 0.053 0.000 1.289 45 G CA -0.480 44.675 45.100 0.092 0.000 0.869 45 G HN 0.775 nan 8.290 nan 0.000 0.543 46 I N 2.502 123.088 120.570 0.025 0.000 2.382 46 I HA 0.291 4.480 4.170 0.031 0.000 0.286 46 I C -0.276 175.848 176.117 0.012 0.000 1.002 46 I CA -0.450 60.864 61.300 0.024 0.000 1.135 46 I CB 1.566 39.587 38.000 0.036 0.000 1.288 46 I HN 0.231 nan 8.210 nan 0.000 0.448 47 I N 5.891 126.483 120.570 0.038 0.000 2.354 47 I HA 0.366 4.555 4.170 0.031 0.000 0.292 47 I C -0.625 175.536 176.117 0.072 0.000 0.989 47 I CA -0.425 60.918 61.300 0.071 0.000 1.188 47 I CB 1.475 39.543 38.000 0.113 0.000 1.342 47 I HN 0.491 nan 8.210 nan 0.000 0.457 48 C N 3.840 123.184 119.300 0.074 0.000 2.369 48 C HA 0.390 4.868 4.460 0.031 0.000 0.322 48 C C 0.587 175.632 174.990 0.092 0.000 1.258 48 C CA -0.666 58.395 59.018 0.072 0.000 1.487 48 C CB 1.068 28.838 27.740 0.050 0.000 2.165 48 C HN 0.689 nan 8.230 nan 0.000 0.483 49 T N 5.199 119.814 114.554 0.101 0.000 2.799 49 T HA 0.235 4.603 4.350 0.031 0.000 0.296 49 T C 0.359 175.120 174.700 0.103 0.000 0.947 49 T CA 0.062 62.231 62.100 0.115 0.000 1.141 49 T CB -0.046 68.894 68.868 0.120 0.000 0.891 49 T HN 0.370 nan 8.240 nan 0.000 0.533 50 I N 3.273 123.909 120.570 0.110 0.000 2.396 50 I HA 0.618 4.807 4.170 0.031 0.000 0.292 50 I C 0.959 177.155 176.117 0.132 0.000 0.999 50 I CA -0.086 61.274 61.300 0.100 0.000 1.310 50 I CB 0.722 38.771 38.000 0.082 0.000 1.404 50 I HN 0.807 nan 8.210 nan 0.000 0.496 51 G N 6.230 115.098 108.800 0.114 0.000 2.753 51 G HA2 0.455 4.433 3.960 0.031 0.000 0.303 51 G HA3 0.455 4.433 3.960 0.031 0.000 0.303 51 G C -2.603 172.368 174.900 0.118 0.000 1.242 51 G CA -0.353 44.836 45.100 0.147 0.000 0.810 51 G HN 0.267 nan 8.290 nan 0.000 0.515 52 P HA -0.000 nan 4.420 nan 0.000 0.219 52 P C 1.805 179.129 177.300 0.041 0.000 1.146 52 P CA 2.060 65.208 63.100 0.080 0.000 0.808 52 P CB 0.150 31.882 31.700 0.054 0.000 0.779 53 A N -0.514 122.327 122.820 0.034 0.000 2.066 53 A HA -0.031 4.307 4.320 0.031 0.000 0.218 53 A C 1.782 179.378 177.584 0.019 0.000 1.157 53 A CA 1.727 53.774 52.037 0.016 0.000 0.670 53 A CB -0.751 18.257 19.000 0.014 0.000 0.804 53 A HN 0.324 nan 8.150 nan 0.000 0.453 54 S N -2.603 113.116 115.700 0.031 0.000 2.960 54 S HA 0.281 4.770 4.470 0.031 0.000 0.256 54 S C 1.066 175.679 174.600 0.023 0.000 1.017 54 S CA -0.105 58.113 58.200 0.030 0.000 1.144 54 S CB -0.060 63.164 63.200 0.040 0.000 1.109 54 S HN 0.453 nan 8.310 nan 0.000 0.638 55 R N 2.631 123.139 120.500 0.013 0.000 2.153 55 R HA 0.110 4.468 4.340 0.031 0.000 0.218 55 R C 0.937 177.225 176.300 -0.020 0.000 1.072 55 R CA 0.986 57.076 56.100 -0.017 0.000 0.990 55 R CB -0.033 30.241 30.300 -0.045 0.000 0.889 55 R HN 0.571 nan 8.270 nan 0.000 0.452 56 S N -0.769 114.927 115.700 -0.007 0.000 2.572 56 S HA 0.011 4.499 4.470 0.031 0.000 0.279 56 S C 1.473 176.074 174.600 0.002 0.000 1.341 56 S CA -0.703 57.493 58.200 -0.007 0.000 1.043 56 S CB 1.685 64.883 63.200 -0.003 0.000 0.887 56 S HN -0.044 nan 8.310 nan 0.000 0.516 57 V N 2.169 122.082 119.914 -0.001 0.000 2.332 57 V HA -0.134 4.004 4.120 0.031 0.000 0.248 57 V C 2.633 178.734 176.094 0.012 0.000 1.055 57 V CA 2.106 64.409 62.300 0.005 0.000 1.038 57 V CB -0.963 30.858 31.823 -0.005 0.000 0.651 57 V HN 0.851 nan 8.190 nan 0.000 0.450 58 E N -0.117 120.086 120.200 0.006 0.000 2.204 58 E HA -0.136 4.232 4.350 0.031 0.000 0.194 58 E C 2.273 178.889 176.600 0.027 0.000 0.989 58 E CA 1.567 57.973 56.400 0.010 0.000 0.824 58 E CB -0.523 29.179 29.700 0.003 0.000 0.756 58 E HN 0.600 nan 8.360 nan 0.000 0.477 59 T N 1.178 115.747 114.554 0.025 0.000 2.978 59 T HA 0.069 4.438 4.350 0.031 0.000 0.262 59 T C 2.086 176.812 174.700 0.044 0.000 1.063 59 T CA 0.225 62.343 62.100 0.031 0.000 1.140 59 T CB -0.026 68.854 68.868 0.020 0.000 0.886 59 T HN 0.052 nan 8.240 nan 0.000 0.470 60 L N 0.659 121.910 121.223 0.046 0.000 2.083 60 L HA -0.079 4.279 4.340 0.031 0.000 0.209 60 L C 2.568 179.497 176.870 0.097 0.000 1.083 60 L CA 1.326 56.202 54.840 0.059 0.000 0.752 60 L CB -0.382 41.709 42.059 0.053 0.000 0.899 60 L HN 0.198 nan 8.230 nan 0.000 0.433 61 K N -0.397 120.079 120.400 0.128 0.000 2.063 61 K HA -0.174 4.164 4.320 0.031 0.000 0.208 61 K C 2.008 178.734 176.600 0.210 0.000 1.048 61 K CA 1.151 57.587 56.287 0.248 0.000 0.928 61 K CB -0.058 32.544 32.500 0.170 0.000 0.713 61 K HN 0.208 nan 8.250 nan 0.000 0.442 62 E N 0.210 120.481 120.200 0.118 0.000 2.208 62 E HA -0.063 4.305 4.350 0.031 0.000 0.193 62 E C 1.932 178.557 176.600 0.042 0.000 0.988 62 E CA 0.767 57.214 56.400 0.078 0.000 0.828 62 E CB 0.035 29.771 29.700 0.060 0.000 0.763 62 E HN 0.311 nan 8.360 nan 0.000 0.478 63 M N 0.003 119.627 119.600 0.040 0.000 2.175 63 M HA -0.044 4.455 4.480 0.031 0.000 0.264 63 M C 2.361 178.650 176.300 -0.020 0.000 1.063 63 M CA 0.975 56.285 55.300 0.016 0.000 1.119 63 M CB -0.585 32.030 32.600 0.024 0.000 1.377 63 M HN 0.082 nan 8.290 nan 0.000 0.415 64 I N -0.081 120.479 120.570 -0.018 0.000 2.252 64 I HA -0.274 3.914 4.170 0.031 0.000 0.245 64 I C 2.162 178.177 176.117 -0.171 0.000 1.102 64 I CA 1.194 62.433 61.300 -0.102 0.000 1.385 64 I CB -0.330 37.607 38.000 -0.105 0.000 1.064 64 I HN 0.262 nan 8.210 nan 0.000 0.414 65 K N 0.221 120.544 120.400 -0.128 0.000 2.283 65 K HA -0.035 4.303 4.320 0.031 0.000 0.202 65 K C 2.067 178.593 176.600 -0.124 0.000 1.048 65 K CA 0.909 57.112 56.287 -0.140 0.000 0.948 65 K CB 0.035 32.511 32.500 -0.040 0.000 0.742 65 K HN 0.134 nan 8.250 nan 0.000 0.458 66 S N -1.063 114.577 115.700 -0.099 0.000 2.478 66 S HA 0.075 4.563 4.470 0.031 0.000 0.222 66 S C 1.175 175.665 174.600 -0.182 0.000 1.008 66 S CA 0.806 58.940 58.200 -0.110 0.000 0.928 66 S CB 0.813 63.989 63.200 -0.040 0.000 0.781 66 S HN 0.579 nan 8.310 nan 0.000 0.518 67 G N 0.880 109.587 108.800 -0.154 0.000 2.370 67 G HA2 -0.144 3.834 3.960 0.031 0.000 0.174 67 G HA3 -0.144 3.834 3.960 0.031 0.000 0.174 67 G C 0.080 174.925 174.900 -0.091 0.000 1.002 67 G CA -0.331 44.683 45.100 -0.144 0.000 0.730 67 G HN 0.350 nan 8.290 nan 0.000 0.497 68 M N 1.324 120.873 119.600 -0.085 0.000 2.284 68 M HA 0.248 4.746 4.480 0.031 0.000 0.351 68 M C 1.019 177.219 176.300 -0.166 0.000 1.443 68 M CA 1.154 56.405 55.300 -0.083 0.000 1.031 68 M CB 0.088 32.659 32.600 -0.047 0.000 1.893 68 M HN 0.278 nan 8.290 nan 0.000 0.456 69 N N 2.505 121.072 118.700 -0.221 0.000 2.397 69 N HA 0.177 4.935 4.740 0.031 0.000 0.190 69 N C -1.131 174.194 175.510 -0.309 0.000 1.099 69 N CA -0.181 52.563 53.050 -0.510 0.000 0.876 69 N CB 0.985 39.023 38.487 -0.749 0.000 1.143 69 N HN 0.406 nan 8.380 nan 0.000 0.468 70 V N 1.036 120.887 119.914 -0.106 0.000 2.524 70 V HA 0.637 4.776 4.120 0.031 0.000 0.297 70 V C -0.806 175.309 176.094 0.036 0.000 1.035 70 V CA -1.264 61.043 62.300 0.011 0.000 0.867 70 V CB 1.394 33.277 31.823 0.100 0.000 1.004 70 V HN 0.108 nan 8.190 nan 0.000 0.426 71 A N 4.894 127.733 122.820 0.031 0.000 2.320 71 A HA 0.711 5.049 4.320 0.031 0.000 0.287 71 A C 0.145 177.758 177.584 0.047 0.000 1.181 71 A CA -0.396 51.668 52.037 0.044 0.000 0.831 71 A CB 0.370 19.393 19.000 0.038 0.000 1.102 71 A HN 0.864 nan 8.150 nan 0.000 0.513 72 R N 3.690 124.239 120.500 0.081 0.000 2.295 72 R HA 0.482 4.841 4.340 0.031 0.000 0.324 72 R C -1.046 175.312 176.300 0.097 0.000 0.968 72 R CA -0.616 55.534 56.100 0.083 0.000 0.837 72 R CB 0.579 30.995 30.300 0.194 0.000 1.133 72 R HN 0.671 nan 8.270 nan 0.000 0.450 73 M N 3.757 123.400 119.600 0.072 0.000 2.061 73 M HA 0.200 4.699 4.480 0.031 0.000 0.346 73 M C -0.391 175.959 176.300 0.084 0.000 1.112 73 M CA -0.989 54.353 55.300 0.070 0.000 1.021 73 M CB 0.546 33.155 32.600 0.016 0.000 1.530 73 M HN 0.408 nan 8.290 nan 0.000 0.437 74 N N 2.602 121.371 118.700 0.115 0.000 2.415 74 N HA 0.207 4.965 4.740 0.031 0.000 0.246 74 N C -0.381 175.197 175.510 0.113 0.000 1.078 74 N CA -0.171 52.979 53.050 0.166 0.000 0.942 74 N CB 0.270 38.877 38.487 0.201 0.000 1.140 74 N HN 0.400 nan 8.380 nan 0.000 0.501 75 F N 1.229 121.178 119.950 -0.002 0.000 2.811 75 F HA 0.101 4.647 4.527 0.030 0.000 0.301 75 F C 2.076 177.918 175.800 0.070 0.000 1.151 75 F CA 0.135 58.163 58.000 0.045 0.000 1.412 75 F CB 0.156 39.144 39.000 -0.019 0.000 1.113 75 F HN 0.463 nan 8.300 nan 0.000 0.579 76 S N -1.569 114.190 115.700 0.097 0.000 2.442 76 S HA -0.114 4.374 4.470 0.031 0.000 0.236 76 S C 0.135 174.511 174.600 -0.374 0.000 1.007 76 S CA 0.952 59.071 58.200 -0.136 0.000 0.965 76 S CB -0.499 62.553 63.200 -0.247 0.000 0.773 76 S HN 0.412 nan 8.310 nan 0.000 0.504 77 H N -0.914 118.219 119.070 0.104 0.000 2.768 77 H HA 0.609 5.183 4.556 0.030 0.000 0.371 77 H C 0.251 175.555 175.328 -0.041 0.000 1.151 77 H CA -0.019 56.037 56.048 0.014 0.000 1.165 77 H CB 1.742 31.487 29.762 -0.029 0.000 1.722 77 H HN 0.258 nan 8.280 nan 0.000 0.543 78 G N 1.020 109.781 108.800 -0.065 0.000 2.697 78 G HA2 -0.025 3.953 3.960 0.031 0.000 0.686 78 G HA3 -0.025 3.953 3.960 0.031 0.000 0.686 78 G C -0.027 174.784 174.900 -0.149 0.000 1.179 78 G CA -0.595 44.300 45.100 -0.341 0.000 0.765 78 G HN 0.820 nan 8.290 nan 0.000 0.649 79 T N -1.211 113.261 114.554 -0.137 0.000 2.754 79 T HA 0.472 4.840 4.350 0.031 0.000 0.286 79 T C 1.371 176.120 174.700 0.082 0.000 0.997 79 T CA 0.575 62.664 62.100 -0.018 0.000 0.982 79 T CB 1.011 69.861 68.868 -0.030 0.000 1.027 79 T HN 0.675 nan 8.240 nan 0.000 0.529 80 H N -0.707 118.285 119.070 -0.130 0.000 2.423 80 H HA -0.045 4.529 4.556 0.031 0.000 0.297 80 H C 2.278 177.564 175.328 -0.069 0.000 1.075 80 H CA 1.227 57.069 56.048 -0.344 0.000 1.342 80 H CB 0.278 29.558 29.762 -0.803 0.000 1.395 80 H HN 0.795 nan 8.280 nan 0.000 0.530 81 E N 0.774 121.045 120.200 0.120 0.000 2.106 81 E HA -0.203 4.166 4.350 0.031 0.000 0.192 81 E C 1.827 178.499 176.600 0.119 0.000 0.984 81 E CA 0.740 57.218 56.400 0.130 0.000 0.806 81 E CB -0.032 29.719 29.700 0.086 0.000 0.750 81 E HN 0.488 nan 8.360 nan 0.000 0.458 82 Y N 0.923 121.183 120.300 -0.065 0.000 2.133 82 Y HA -0.232 4.336 4.550 0.030 0.000 0.287 82 Y C 2.353 178.179 175.900 -0.124 0.000 1.134 82 Y CA 2.135 60.143 58.100 -0.153 0.000 1.133 82 Y CB -0.328 37.945 38.460 -0.312 0.000 0.987 82 Y HN 0.166 nan 8.280 nan 0.000 0.502 83 H N -0.432 118.699 119.070 0.101 0.000 2.389 83 H HA -0.044 4.530 4.556 0.031 0.000 0.299 83 H C 2.321 177.738 175.328 0.148 0.000 1.081 83 H CA 1.138 57.218 56.048 0.053 0.000 1.345 83 H CB -0.731 29.027 29.762 -0.007 0.000 1.393 83 H HN 0.519 nan 8.280 nan 0.000 0.520 84 A N 0.961 124.013 122.820 0.387 0.000 1.933 84 A HA -0.201 4.138 4.320 0.031 0.000 0.218 84 A C 2.388 180.042 177.584 0.116 0.000 1.175 84 A CA 1.761 53.980 52.037 0.304 0.000 0.628 84 A CB -0.399 18.834 19.000 0.389 0.000 0.814 84 A HN 0.495 nan 8.150 nan 0.000 0.444 85 E N -0.816 119.405 120.200 0.036 0.000 2.072 85 E HA -0.144 4.224 4.350 0.031 0.000 0.191 85 E C 1.976 178.529 176.600 -0.078 0.000 0.985 85 E CA 1.578 57.954 56.400 -0.041 0.000 0.801 85 E CB -0.126 29.517 29.700 -0.095 0.000 0.750 85 E HN 0.560 nan 8.360 nan 0.000 0.452 86 T N 1.123 115.593 114.554 -0.140 0.000 2.708 86 T HA -0.152 4.216 4.350 0.031 0.000 0.266 86 T C 1.878 176.575 174.700 -0.006 0.000 1.037 86 T CA 1.428 63.462 62.100 -0.109 0.000 1.146 86 T CB -0.214 68.579 68.868 -0.125 0.000 0.865 86 T HN 0.175 nan 8.240 nan 0.000 0.435 87 I N 0.848 121.443 120.570 0.043 0.000 2.226 87 I HA -0.181 4.007 4.170 0.031 0.000 0.245 87 I C 2.642 178.777 176.117 0.031 0.000 1.100 87 I CA 1.264 62.594 61.300 0.049 0.000 1.374 87 I CB -0.326 37.713 38.000 0.065 0.000 1.057 87 I HN 0.188 nan 8.210 nan 0.000 0.413 88 K N 1.134 121.549 120.400 0.025 0.000 1.991 88 K HA -0.253 4.086 4.320 0.031 0.000 0.212 88 K C 1.962 178.571 176.600 0.016 0.000 1.049 88 K CA 2.128 58.426 56.287 0.019 0.000 0.932 88 K CB -0.162 32.347 32.500 0.015 0.000 0.717 88 K HN 0.213 nan 8.250 nan 0.000 0.441 89 N N 0.671 119.373 118.700 0.002 0.000 2.094 89 N HA -0.170 4.588 4.740 0.031 0.000 0.191 89 N C 1.810 177.334 175.510 0.022 0.000 1.023 89 N CA 1.332 54.383 53.050 0.002 0.000 0.857 89 N CB -0.569 37.907 38.487 -0.019 0.000 1.013 89 N HN 0.025 nan 8.380 nan 0.000 0.426 90 V N 1.059 120.990 119.914 0.028 0.000 2.287 90 V HA -0.227 3.911 4.120 0.031 0.000 0.248 90 V C 2.263 178.396 176.094 0.064 0.000 1.053 90 V CA 1.679 64.006 62.300 0.045 0.000 1.027 90 V CB -0.337 31.511 31.823 0.042 0.000 0.646 90 V HN 0.310 nan 8.190 nan 0.000 0.447 91 R N -0.583 119.952 120.500 0.059 0.000 2.090 91 R HA -0.097 4.261 4.340 0.031 0.000 0.228 91 R C 2.368 178.714 176.300 0.077 0.000 1.110 91 R CA 1.734 57.879 56.100 0.076 0.000 0.973 91 R CB -0.601 29.734 30.300 0.059 0.000 0.869 91 R HN 0.534 nan 8.270 nan 0.000 0.440 92 T N 0.937 115.521 114.554 0.050 0.000 2.708 92 T HA -0.140 4.229 4.350 0.031 0.000 0.266 92 T C 2.000 176.725 174.700 0.042 0.000 1.037 92 T CA 1.424 63.545 62.100 0.034 0.000 1.146 92 T CB -0.273 68.603 68.868 0.014 0.000 0.865 92 T HN 0.350 nan 8.240 nan 0.000 0.435 93 A N 1.600 124.455 122.820 0.059 0.000 1.877 93 A HA -0.143 4.195 4.320 0.031 0.000 0.216 93 A C 2.586 180.286 177.584 0.193 0.000 1.186 93 A CA 2.176 54.266 52.037 0.089 0.000 0.620 93 A CB -1.394 17.667 19.000 0.102 0.000 0.822 93 A HN 0.482 nan 8.150 nan 0.000 0.443 94 T N 0.123 114.799 114.554 0.203 0.000 2.720 94 T HA -0.114 4.254 4.350 0.031 0.000 0.268 94 T C 1.661 176.605 174.700 0.406 0.000 1.037 94 T CA 1.587 63.859 62.100 0.286 0.000 1.144 94 T CB -0.226 68.761 68.868 0.198 0.000 0.864 94 T HN 0.463 nan 8.240 nan 0.000 0.444 95 E N 1.372 121.726 120.200 0.256 0.000 2.358 95 E HA 0.003 4.371 4.350 0.031 0.000 0.195 95 E C 2.493 179.153 176.600 0.100 0.000 1.010 95 E CA 0.631 57.146 56.400 0.192 0.000 0.856 95 E CB -0.478 29.277 29.700 0.092 0.000 0.795 95 E HN 0.659 nan 8.360 nan 0.000 0.504 96 S N -0.072 115.638 115.700 0.016 0.000 2.465 96 S HA -0.128 4.361 4.470 0.031 0.000 0.241 96 S C 1.475 175.922 174.600 -0.254 0.000 1.000 96 S CA 0.733 58.826 58.200 -0.179 0.000 0.964 96 S CB -0.440 62.555 63.200 -0.341 0.000 0.763 96 S HN 0.136 nan 8.310 nan 0.000 0.512 97 F N 1.067 121.095 119.950 0.129 0.000 2.695 97 F HA 0.576 5.121 4.527 0.031 0.000 0.303 97 F C 2.257 178.174 175.800 0.194 0.000 1.091 97 F CA -0.263 57.834 58.000 0.162 0.000 1.300 97 F CB -0.247 38.864 39.000 0.184 0.000 1.071 97 F HN 0.273 nan 8.300 nan 0.000 0.578 98 A N -0.124 122.826 122.820 0.216 0.000 2.119 98 A HA -0.102 4.236 4.320 0.031 0.000 0.217 98 A C 2.260 179.813 177.584 -0.051 0.000 1.153 98 A CA 1.439 53.422 52.037 -0.089 0.000 0.692 98 A CB -0.874 17.963 19.000 -0.271 0.000 0.799 98 A HN 0.334 nan 8.150 nan 0.000 0.458 99 S N -0.577 115.134 115.700 0.018 0.000 2.442 99 S HA -0.094 4.394 4.470 0.031 0.000 0.236 99 S C 0.602 175.221 174.600 0.031 0.000 1.007 99 S CA 0.915 59.120 58.200 0.009 0.000 0.965 99 S CB -0.145 63.060 63.200 0.007 0.000 0.773 99 S HN 0.473 nan 8.310 nan 0.000 0.504 100 D N 2.079 122.526 120.400 0.079 0.000 2.477 100 D HA 0.372 5.030 4.640 0.031 0.000 0.239 100 D C -2.135 174.225 176.300 0.100 0.000 1.102 100 D CA -2.403 51.647 54.000 0.084 0.000 0.901 100 D CB 1.614 42.477 40.800 0.106 0.000 1.026 100 D HN -0.019 nan 8.370 nan 0.000 0.515 101 P HA -0.121 nan 4.420 nan 0.000 0.217 101 P C 1.657 179.008 177.300 0.085 0.000 1.148 101 P CA 0.582 63.713 63.100 0.052 0.000 0.828 101 P CB 0.414 32.121 31.700 0.012 0.000 0.783 102 I N -1.922 118.686 120.570 0.064 0.000 2.394 102 I HA -0.124 4.064 4.170 0.031 0.000 0.251 102 I C 2.090 178.243 176.117 0.059 0.000 1.136 102 I CA 1.500 62.832 61.300 0.052 0.000 1.425 102 I CB -1.139 36.877 38.000 0.026 0.000 1.079 102 I HN 0.049 nan 8.210 nan 0.000 0.425 103 L N -1.366 119.906 121.223 0.081 0.000 2.515 103 L HA 0.058 4.416 4.340 0.031 0.000 0.223 103 L C 0.792 177.700 176.870 0.063 0.000 1.079 103 L CA -0.217 54.660 54.840 0.060 0.000 0.857 103 L CB -0.124 41.971 42.059 0.061 0.000 1.050 103 L HN 0.060 nan 8.230 nan 0.000 0.476 104 Y N 2.653 122.953 120.300 0.000 0.000 2.810 104 Y HA -0.001 4.568 4.550 0.031 0.000 0.332 104 Y C 0.107 175.961 175.900 -0.077 0.000 1.243 104 Y CA -0.194 57.903 58.100 -0.006 0.000 1.537 104 Y CB 0.279 38.755 38.460 0.027 0.000 1.265 104 Y HN -0.035 nan 8.280 nan 0.000 0.572 105 R N 8.021 128.052 120.500 -0.782 0.000 2.310 105 R HA 0.366 4.724 4.340 0.031 0.000 0.324 105 R C -2.684 173.056 176.300 -0.933 0.000 0.955 105 R CA -2.739 52.940 56.100 -0.702 0.000 0.830 105 R CB 0.681 30.719 30.300 -0.437 0.000 1.154 105 R HN 0.546 nan 8.270 nan 0.000 0.458 106 P HA 0.057 nan 4.420 nan 0.000 0.268 106 P C -0.457 176.833 177.300 -0.016 0.000 1.208 106 P CA -0.114 62.823 63.100 -0.271 0.000 0.777 106 P CB 0.733 32.374 31.700 -0.098 0.000 0.875 107 V N 1.437 121.369 119.914 0.030 0.000 2.569 107 V HA 0.526 4.664 4.120 0.031 0.000 0.301 107 V C 0.199 176.352 176.094 0.098 0.000 1.044 107 V CA -0.922 61.401 62.300 0.039 0.000 0.874 107 V CB 1.640 33.456 31.823 -0.011 0.000 1.002 107 V HN 0.718 nan 8.190 nan 0.000 0.424 108 A N 4.526 127.426 122.820 0.134 0.000 2.316 108 A HA 0.812 5.151 4.320 0.031 0.000 0.284 108 A C -0.432 177.182 177.584 0.050 0.000 1.115 108 A CA -0.389 51.718 52.037 0.117 0.000 0.812 108 A CB 1.038 20.142 19.000 0.173 0.000 1.064 108 A HN 0.736 nan 8.150 nan 0.000 0.489 109 V N 1.266 121.191 119.914 0.018 0.000 2.459 109 V HA 0.679 4.818 4.120 0.031 0.000 0.295 109 V C 0.395 176.428 176.094 -0.101 0.000 1.029 109 V CA -0.089 62.198 62.300 -0.022 0.000 0.874 109 V CB 1.198 33.014 31.823 -0.011 0.000 0.985 109 V HN 1.210 nan 8.190 nan 0.000 0.438 110 A N 4.956 127.667 122.820 -0.182 0.000 2.386 110 A HA 0.873 5.211 4.320 0.031 0.000 0.311 110 A C -1.116 176.248 177.584 -0.367 0.000 1.068 110 A CA -0.583 51.187 52.037 -0.445 0.000 0.743 110 A CB 1.530 19.984 19.000 -0.909 0.000 1.258 110 A HN 0.907 nan 8.150 nan 0.000 0.429 111 L N 2.386 123.376 121.223 -0.389 0.000 2.294 111 L HA 0.418 4.777 4.340 0.031 0.000 0.283 111 L C -0.967 175.785 176.870 -0.196 0.000 1.015 111 L CA -0.507 54.201 54.840 -0.220 0.000 0.831 111 L CB 0.947 42.826 42.059 -0.300 0.000 1.217 111 L HN 0.738 nan 8.230 nan 0.000 0.420 112 D N 4.065 124.462 120.400 -0.005 0.000 2.313 112 D HA 0.138 4.796 4.640 0.031 0.000 0.239 112 D C -0.156 176.229 176.300 0.141 0.000 1.142 112 D CA -0.126 53.943 54.000 0.115 0.000 0.847 112 D CB 1.424 42.357 40.800 0.221 0.000 1.082 112 D HN 0.607 nan 8.370 nan 0.000 0.480 113 T N 0.960 115.562 114.554 0.080 0.000 2.899 113 T HA 0.112 4.480 4.350 0.031 0.000 0.295 113 T C 1.291 176.068 174.700 0.128 0.000 1.033 113 T CA -0.524 61.622 62.100 0.076 0.000 1.084 113 T CB 2.130 71.014 68.868 0.027 0.000 0.979 113 T HN 0.424 nan 8.240 nan 0.000 0.532 114 K N 2.070 122.557 120.400 0.146 0.000 2.002 114 K HA 0.108 4.446 4.320 0.031 0.000 0.209 114 K C 1.299 177.992 176.600 0.156 0.000 1.048 114 K CA 1.302 57.668 56.287 0.131 0.000 0.930 114 K CB -1.173 31.395 32.500 0.113 0.000 0.714 114 K HN 1.153 nan 8.250 nan 0.000 0.438 115 G N 0.398 109.279 108.800 0.135 0.000 2.698 115 G HA2 -0.216 3.763 3.960 0.031 0.000 0.233 115 G HA3 -0.216 3.763 3.960 0.031 0.000 0.233 115 G C -2.493 172.471 174.900 0.107 0.000 1.352 115 G CA -0.159 45.037 45.100 0.160 0.000 0.879 115 G HN 0.312 nan 8.290 nan 0.000 0.567 116 P HA 0.278 nan 4.420 nan 0.000 0.237 116 P C -0.138 176.986 177.300 -0.294 0.000 1.788 116 P CA 0.314 63.325 63.100 -0.148 0.000 1.061 116 P CB 0.117 31.687 31.700 -0.216 0.000 1.967 117 E N 1.658 121.781 120.200 -0.127 0.000 2.313 117 E HA 0.376 4.744 4.350 0.031 0.000 0.272 117 E C -0.003 176.517 176.600 -0.134 0.000 1.038 117 E CA -0.760 55.576 56.400 -0.106 0.000 0.863 117 E CB 1.137 30.861 29.700 0.040 0.000 1.060 117 E HN 0.345 nan 8.360 nan 0.000 0.402 118 I N 3.359 123.852 120.570 -0.128 0.000 2.355 118 I HA 0.378 4.567 4.170 0.031 0.000 0.288 118 I C 0.042 176.155 176.117 -0.007 0.000 0.999 118 I CA -0.451 60.800 61.300 -0.082 0.000 1.163 118 I CB 1.099 39.041 38.000 -0.098 0.000 1.316 118 I HN 0.233 nan 8.210 nan 0.000 0.454 119 R N 3.111 123.620 120.500 0.015 0.000 2.807 119 R HA 0.582 4.941 4.340 0.031 0.000 0.276 119 R C -0.149 176.196 176.300 0.076 0.000 0.979 119 R CA -0.768 55.375 56.100 0.071 0.000 0.928 119 R CB 2.622 32.992 30.300 0.117 0.000 1.191 119 R HN 0.704 nan 8.270 nan 0.000 0.471 120 T N -1.328 113.303 114.554 0.129 0.000 2.770 120 T HA 0.456 4.824 4.350 0.031 0.000 0.281 120 T C 0.836 175.762 174.700 0.376 0.000 0.981 120 T CA -0.539 61.678 62.100 0.194 0.000 0.955 120 T CB 1.144 70.109 68.868 0.161 0.000 1.060 120 T HN 0.599 nan 8.240 nan 0.000 0.531 121 G N -0.459 108.648 108.800 0.511 0.000 2.641 121 G HA2 0.545 4.524 3.960 0.031 0.000 0.239 121 G HA3 0.545 4.524 3.960 0.031 0.000 0.239 121 G C -0.967 174.049 174.900 0.194 0.000 1.402 121 G CA -0.934 44.415 45.100 0.416 0.000 1.046 121 G HN 0.594 nan 8.290 nan 0.000 0.565 122 L N 0.543 121.819 121.223 0.089 0.000 2.350 122 L HA 0.359 4.717 4.340 0.031 0.000 0.275 122 L C 0.453 177.362 176.870 0.065 0.000 1.099 122 L CA -0.902 53.972 54.840 0.056 0.000 0.808 122 L CB 1.293 43.355 42.059 0.005 0.000 1.149 122 L HN 0.201 nan 8.230 nan 0.000 0.442 123 I N 2.721 123.329 120.570 0.063 0.000 2.634 123 I HA 0.045 4.234 4.170 0.031 0.000 0.284 123 I C 0.880 177.022 176.117 0.043 0.000 1.124 123 I CA -0.333 61.005 61.300 0.063 0.000 1.417 123 I CB 0.294 38.330 38.000 0.060 0.000 1.396 123 I HN 0.662 nan 8.210 nan 0.000 0.571 124 K N 4.182 124.610 120.400 0.048 0.000 2.286 124 K HA 0.173 4.511 4.320 0.031 0.000 0.256 124 K C 1.095 177.708 176.600 0.021 0.000 0.999 124 K CA 0.059 56.365 56.287 0.032 0.000 0.908 124 K CB 0.247 32.773 32.500 0.044 0.000 0.981 124 K HN 0.679 nan 8.250 nan 0.000 0.500 125 G N 0.663 109.469 108.800 0.010 0.000 2.403 125 G HA2 -0.201 3.778 3.960 0.031 0.000 0.216 125 G HA3 -0.201 3.778 3.960 0.031 0.000 0.216 125 G C 0.558 175.464 174.900 0.009 0.000 1.154 125 G CA 0.454 45.557 45.100 0.005 0.000 0.784 125 G HN 0.721 nan 8.290 nan 0.000 0.538 126 S N 0.218 115.925 115.700 0.012 0.000 2.533 126 S HA 0.492 4.980 4.470 0.031 0.000 0.282 126 S C 0.773 175.385 174.600 0.020 0.000 1.304 126 S CA 0.793 59.001 58.200 0.014 0.000 1.063 126 S CB -0.033 63.176 63.200 0.015 0.000 0.881 126 S HN 1.701 nan 8.310 nan 0.000 0.493 127 G N 3.525 112.335 108.800 0.017 0.000 2.451 127 G HA2 -0.115 3.863 3.960 0.031 0.000 0.208 127 G HA3 -0.115 3.863 3.960 0.031 0.000 0.208 127 G C -0.083 174.829 174.900 0.020 0.000 1.248 127 G CA -0.253 44.860 45.100 0.022 0.000 0.989 127 G HN 1.660 nan 8.290 nan 0.000 0.559 128 T N -0.799 113.771 114.554 0.026 0.000 2.868 128 T HA 0.646 5.014 4.350 0.031 0.000 0.292 128 T C 1.870 176.582 174.700 0.021 0.000 1.028 128 T CA 0.804 62.915 62.100 0.020 0.000 1.059 128 T CB 1.413 70.298 68.868 0.027 0.000 0.991 128 T HN 2.194 nan 8.240 nan 0.000 0.531 129 A N 1.502 124.325 122.820 0.005 0.000 1.917 129 A HA -0.023 4.316 4.320 0.031 0.000 0.219 129 A C 0.945 178.544 177.584 0.024 0.000 1.182 129 A CA 1.160 53.200 52.037 0.005 0.000 0.633 129 A CB -0.647 18.344 19.000 -0.014 0.000 0.819 129 A HN 0.925 nan 8.150 nan 0.000 0.448 130 E N -1.687 118.534 120.200 0.035 0.000 2.320 130 E HA 0.516 4.884 4.350 0.031 0.000 0.264 130 E C -0.757 175.919 176.600 0.127 0.000 0.923 130 E CA -0.726 55.724 56.400 0.084 0.000 0.796 130 E CB 2.125 31.886 29.700 0.102 0.000 1.262 130 E HN 0.291 nan 8.360 nan 0.000 0.428 131 V N -1.864 118.141 119.914 0.151 0.000 2.975 131 V HA 0.500 4.638 4.120 0.031 0.000 0.318 131 V C -0.324 175.886 176.094 0.195 0.000 1.077 131 V CA -0.768 61.619 62.300 0.145 0.000 1.000 131 V CB 1.642 33.518 31.823 0.088 0.000 1.066 131 V HN 0.759 nan 8.190 nan 0.000 0.452 132 E N 2.174 122.454 120.200 0.132 0.000 2.092 132 E HA 0.491 4.859 4.350 0.031 0.000 0.271 132 E C -1.109 175.459 176.600 -0.053 0.000 0.919 132 E CA -0.608 55.792 56.400 0.002 0.000 0.760 132 E CB 1.156 30.864 29.700 0.013 0.000 1.106 132 E HN 0.776 nan 8.360 nan 0.000 0.408 133 L N 5.333 126.496 121.223 -0.099 0.000 2.281 133 L HA 0.358 4.717 4.340 0.031 0.000 0.285 133 L C 0.199 176.997 176.870 -0.120 0.000 1.074 133 L CA -0.377 54.412 54.840 -0.084 0.000 0.817 133 L CB 0.620 42.639 42.059 -0.066 0.000 1.168 133 L HN 0.374 nan 8.230 nan 0.000 0.434 134 K N 3.381 123.729 120.400 -0.087 0.000 2.182 134 K HA 0.266 4.604 4.320 0.031 0.000 0.262 134 K C -0.382 176.176 176.600 -0.070 0.000 0.957 134 K CA -0.991 55.244 56.287 -0.087 0.000 0.842 134 K CB 2.278 34.741 32.500 -0.062 0.000 1.099 134 K HN 0.357 nan 8.250 nan 0.000 0.438 135 K N 0.910 121.267 120.400 -0.071 0.000 2.405 135 K HA -0.104 4.234 4.320 0.031 0.000 0.276 135 K C 0.705 177.279 176.600 -0.044 0.000 1.099 135 K CA 1.350 57.603 56.287 -0.057 0.000 1.120 135 K CB -0.353 32.116 32.500 -0.051 0.000 0.877 135 K HN 0.872 nan 8.250 nan 0.000 0.472 136 G N 1.936 110.711 108.800 -0.042 0.000 2.194 136 G HA2 -0.245 3.734 3.960 0.031 0.000 0.236 136 G HA3 -0.245 3.734 3.960 0.031 0.000 0.236 136 G C 0.039 174.920 174.900 -0.031 0.000 0.987 136 G CA -0.079 45.001 45.100 -0.034 0.000 0.635 136 G HN 0.898 nan 8.290 nan 0.000 0.520 137 A N 0.613 123.412 122.820 -0.036 0.000 2.302 137 A HA 0.777 5.115 4.320 0.031 0.000 0.285 137 A C 0.814 178.379 177.584 -0.031 0.000 1.105 137 A CA 0.834 52.852 52.037 -0.031 0.000 0.816 137 A CB 0.398 19.379 19.000 -0.032 0.000 1.067 137 A HN 1.604 nan 8.150 nan 0.000 0.489 138 T N 0.529 115.067 114.554 -0.027 0.000 2.832 138 T HA 0.504 4.872 4.350 0.031 0.000 0.296 138 T C -0.300 174.383 174.700 -0.029 0.000 0.968 138 T CA -0.339 61.745 62.100 -0.026 0.000 1.107 138 T CB 0.387 69.242 68.868 -0.022 0.000 0.916 138 T HN 0.609 nan 8.240 nan 0.000 0.517 139 L N 2.579 123.785 121.223 -0.030 0.000 2.381 139 L HA 0.571 4.929 4.340 0.031 0.000 0.274 139 L C -0.323 176.531 176.870 -0.028 0.000 0.988 139 L CA -0.944 53.877 54.840 -0.031 0.000 0.824 139 L CB 1.847 43.888 42.059 -0.030 0.000 1.263 139 L HN 0.757 nan 8.230 nan 0.000 0.410 140 K N 5.309 125.685 120.400 -0.040 0.000 2.183 140 K HA 0.517 4.855 4.320 0.031 0.000 0.274 140 K C -0.977 175.603 176.600 -0.033 0.000 1.009 140 K CA -0.533 55.734 56.287 -0.033 0.000 0.888 140 K CB 1.214 33.669 32.500 -0.076 0.000 1.078 140 K HN 0.591 nan 8.250 nan 0.000 0.459 141 I N 3.092 123.662 120.570 -0.000 0.000 2.331 141 I HA 0.130 4.319 4.170 0.031 0.000 0.292 141 I C 0.313 176.437 176.117 0.012 0.000 0.998 141 I CA -0.324 60.970 61.300 -0.010 0.000 1.267 141 I CB 1.858 39.843 38.000 -0.026 0.000 1.386 141 I HN 0.609 nan 8.210 nan 0.000 0.476 142 T N 5.733 120.287 114.554 -0.001 0.000 2.932 142 T HA 0.601 4.970 4.350 0.031 0.000 0.289 142 T C 0.511 175.224 174.700 0.023 0.000 1.039 142 T CA -0.469 61.663 62.100 0.054 0.000 1.024 142 T CB 1.229 70.124 68.868 0.046 0.000 1.090 142 T HN 0.490 nan 8.240 nan 0.000 0.496 143 L N 1.090 122.368 121.223 0.091 0.000 2.731 143 L HA 0.366 4.724 4.340 0.031 0.000 0.240 143 L C 0.659 177.754 176.870 0.374 0.000 1.120 143 L CA -0.280 54.596 54.840 0.061 0.000 0.913 143 L CB 0.291 42.349 42.059 -0.002 0.000 1.213 143 L HN 0.546 nan 8.230 nan 0.000 0.515 144 D N 1.360 121.997 120.400 0.395 0.000 2.426 144 D HA -0.099 4.559 4.640 0.031 0.000 0.261 144 D C 0.873 177.436 176.300 0.438 0.000 1.245 144 D CA 0.396 54.630 54.000 0.390 0.000 0.917 144 D CB 0.605 41.646 40.800 0.401 0.000 1.123 144 D HN 0.014 nan 8.370 nan 0.000 0.508 145 N N 2.986 121.847 118.700 0.267 0.000 2.573 145 N HA -0.094 4.664 4.740 0.031 0.000 0.187 145 N C 1.272 176.679 175.510 -0.171 0.000 1.107 145 N CA 0.609 53.674 53.050 0.024 0.000 0.918 145 N CB 0.059 38.576 38.487 0.049 0.000 0.966 145 N HN 0.518 nan 8.380 nan 0.000 0.448 146 A N -0.742 122.015 122.820 -0.106 0.000 2.119 146 A HA -0.043 4.296 4.320 0.031 0.000 0.217 146 A C 1.073 178.421 177.584 -0.394 0.000 1.153 146 A CA 0.691 52.569 52.037 -0.266 0.000 0.692 146 A CB -0.318 18.491 19.000 -0.319 0.000 0.799 146 A HN 0.278 nan 8.150 nan 0.000 0.458 147 Y N -0.258 119.973 120.300 -0.115 0.000 2.458 147 Y HA 0.120 4.688 4.550 0.031 0.000 0.256 147 Y C 2.189 177.950 175.900 -0.232 0.000 1.159 147 Y CA 0.368 58.419 58.100 -0.082 0.000 1.261 147 Y CB -0.410 38.095 38.460 0.074 0.000 1.119 147 Y HN 0.464 nan 8.280 nan 0.000 0.524 148 M N -0.771 118.492 119.600 -0.562 0.000 2.435 148 M HA -0.133 4.365 4.480 0.031 0.000 0.262 148 M C 0.208 176.256 176.300 -0.421 0.000 1.065 148 M CA 1.997 56.664 55.300 -1.055 0.000 1.076 148 M CB -0.131 31.371 32.600 -1.831 0.000 1.403 148 M HN 0.150 nan 8.290 nan 0.000 0.454 149 E N 0.510 120.569 120.200 -0.237 0.000 2.812 149 E HA 0.216 4.585 4.350 0.031 0.000 0.211 149 E C -0.397 176.181 176.600 -0.035 0.000 0.986 149 E CA -0.065 56.268 56.400 -0.111 0.000 1.119 149 E CB 0.668 30.294 29.700 -0.122 0.000 1.046 149 E HN 0.503 nan 8.360 nan 0.000 0.474 150 K N 0.664 121.077 120.400 0.023 0.000 3.012 150 K HA 0.238 4.576 4.320 0.031 0.000 0.207 150 K C -0.759 175.947 176.600 0.176 0.000 1.130 150 K CA -0.271 56.071 56.287 0.092 0.000 1.021 150 K CB 0.571 33.119 32.500 0.080 0.000 0.736 150 K HN 0.035 nan 8.250 nan 0.000 0.448 151 C N 2.243 121.629 119.300 0.143 0.000 2.593 151 C HA 0.270 4.748 4.460 0.031 0.000 0.409 151 C C 0.642 175.692 174.990 0.100 0.000 1.304 151 C CA -0.305 58.798 59.018 0.142 0.000 2.007 151 C CB -0.455 27.378 27.740 0.155 0.000 2.614 151 C HN 0.696 nan 8.230 nan 0.000 0.585 152 D N 0.486 120.932 120.400 0.077 0.000 3.236 152 D HA 0.150 4.809 4.640 0.031 0.000 0.325 152 D C 0.829 177.151 176.300 0.037 0.000 1.352 152 D CA -0.508 53.527 54.000 0.058 0.000 0.979 152 D CB -0.021 40.812 40.800 0.056 0.000 1.410 152 D HN 0.496 nan 8.370 nan 0.000 0.588 153 E N 0.027 120.245 120.200 0.029 0.000 2.150 153 E HA -0.160 4.208 4.350 0.031 0.000 0.193 153 E C 0.501 177.097 176.600 -0.005 0.000 0.985 153 E CA 1.032 57.440 56.400 0.013 0.000 0.814 153 E CB -0.355 29.353 29.700 0.013 0.000 0.752 153 E HN 0.374 nan 8.360 nan 0.000 0.466 154 N N 0.683 119.376 118.700 -0.011 0.000 2.336 154 N HA 0.127 4.885 4.740 0.031 0.000 0.177 154 N C 0.551 176.023 175.510 -0.064 0.000 1.018 154 N CA 0.472 53.502 53.050 -0.034 0.000 0.878 154 N CB 0.854 39.321 38.487 -0.033 0.000 0.997 154 N HN 0.233 nan 8.380 nan 0.000 0.433 155 I N 0.884 121.412 120.570 -0.070 0.000 2.512 155 I HA 0.288 4.476 4.170 0.031 0.000 0.287 155 I C -1.835 174.254 176.117 -0.047 0.000 1.069 155 I CA -0.875 60.346 61.300 -0.132 0.000 1.056 155 I CB 1.737 39.531 38.000 -0.342 0.000 1.229 155 I HN -0.215 nan 8.210 nan 0.000 0.429 156 L N 8.521 129.736 121.223 -0.015 0.000 2.349 156 L HA 0.543 4.901 4.340 0.031 0.000 0.278 156 L C -1.526 175.416 176.870 0.120 0.000 0.996 156 L CA -0.097 54.784 54.840 0.068 0.000 0.825 156 L CB 1.366 43.453 42.059 0.046 0.000 1.243 156 L HN 0.708 nan 8.230 nan 0.000 0.412 157 W N 7.188 128.504 121.300 0.027 0.000 2.376 157 W HA 0.612 5.290 4.660 0.031 0.000 0.322 157 W C -1.348 175.206 176.519 0.059 0.000 1.160 157 W CA -0.407 56.972 57.345 0.056 0.000 1.218 157 W CB 1.203 30.725 29.460 0.103 0.000 1.205 157 W HN 0.538 nan 8.180 nan 0.000 0.559 158 L N 2.235 122.973 121.223 -0.809 0.000 2.403 158 L HA 0.576 4.935 4.340 0.031 0.000 0.253 158 L C 0.098 176.061 176.870 -1.511 0.000 1.045 158 L CA -0.851 53.483 54.840 -0.843 0.000 0.845 158 L CB 1.438 43.307 42.059 -0.315 0.000 1.447 158 L HN 0.501 nan 8.230 nan 0.000 0.411 159 D N -1.635 118.262 120.400 -0.838 0.000 2.360 159 D HA -0.012 4.647 4.640 0.031 0.000 0.210 159 D C 0.326 176.542 176.300 -0.141 0.000 1.047 159 D CA 0.290 53.983 54.000 -0.512 0.000 0.854 159 D CB -0.178 40.585 40.800 -0.062 0.000 0.936 159 D HN 0.458 nan 8.370 nan 0.000 0.514 160 Y N 2.702 122.841 120.300 -0.268 0.000 2.620 160 Y HA 0.208 4.776 4.550 0.031 0.000 0.352 160 Y C 0.943 176.751 175.900 -0.154 0.000 1.140 160 Y CA -1.217 56.784 58.100 -0.165 0.000 1.529 160 Y CB 0.240 38.614 38.460 -0.144 0.000 1.321 160 Y HN -0.247 nan 8.280 nan 0.000 0.501 161 K N 3.165 123.544 120.400 -0.035 0.000 2.211 161 K HA -0.183 4.155 4.320 0.031 0.000 0.204 161 K C 0.360 176.802 176.600 -0.264 0.000 1.047 161 K CA 1.239 57.453 56.287 -0.122 0.000 0.935 161 K CB 0.012 32.507 32.500 -0.009 0.000 0.728 161 K HN 0.625 nan 8.250 nan 0.000 0.452 162 N N 0.621 119.047 118.700 -0.457 0.000 2.279 162 N HA 0.132 4.890 4.740 0.031 0.000 0.226 162 N C 1.152 176.107 175.510 -0.925 0.000 1.126 162 N CA -0.113 52.633 53.050 -0.508 0.000 0.846 162 N CB 0.145 38.517 38.487 -0.191 0.000 1.050 162 N HN 0.072 nan 8.380 nan 0.000 0.502 163 I N -0.229 119.618 120.570 -1.205 0.000 2.248 163 I HA -0.382 3.807 4.170 0.031 0.000 0.248 163 I C 1.220 177.103 176.117 -0.390 0.000 1.107 163 I CA 1.312 62.082 61.300 -0.883 0.000 1.373 163 I CB 0.062 37.773 38.000 -0.481 0.000 1.055 163 I HN 0.256 nan 8.210 nan 0.000 0.418 164 C N 0.455 119.568 119.300 -0.311 0.000 2.419 164 C HA -0.107 4.371 4.460 0.031 0.000 0.283 164 C C 2.401 177.292 174.990 -0.166 0.000 1.373 164 C CA 0.722 59.615 59.018 -0.209 0.000 1.781 164 C CB -1.294 26.324 27.740 -0.203 0.000 1.886 164 C HN 0.418 nan 8.230 nan 0.000 0.520 165 K N 0.578 120.875 120.400 -0.171 0.000 2.459 165 K HA 0.017 4.355 4.320 0.031 0.000 0.193 165 K C 1.562 178.123 176.600 -0.064 0.000 1.030 165 K CA 0.660 56.883 56.287 -0.106 0.000 1.026 165 K CB 0.187 32.634 32.500 -0.089 0.000 0.809 165 K HN 0.566 nan 8.250 nan 0.000 0.504 166 V N -3.121 116.757 119.914 -0.060 0.000 3.604 166 V HA 0.222 4.361 4.120 0.031 0.000 0.277 166 V C 0.460 176.553 176.094 -0.002 0.000 1.399 166 V CA -0.452 61.848 62.300 0.000 0.000 1.034 166 V CB 0.070 31.940 31.823 0.079 0.000 0.824 166 V HN -0.094 nan 8.190 nan 0.000 0.439 167 V N -0.643 119.254 119.914 -0.029 0.000 2.966 167 V HA 0.803 4.942 4.120 0.031 0.000 0.317 167 V C -0.751 175.320 176.094 -0.039 0.000 1.070 167 V CA -0.393 61.893 62.300 -0.024 0.000 1.008 167 V CB 1.506 33.313 31.823 -0.026 0.000 1.070 167 V HN 0.303 nan 8.190 nan 0.000 0.457 168 D N 0.212 120.594 120.400 -0.030 0.000 2.497 168 D HA 0.552 5.211 4.640 0.031 0.000 0.243 168 D C -0.532 175.747 176.300 -0.035 0.000 1.039 168 D CA -0.542 53.437 54.000 -0.034 0.000 1.052 168 D CB 1.829 42.615 40.800 -0.024 0.000 1.344 168 D HN 0.542 nan 8.370 nan 0.000 0.553 169 V N 0.770 120.663 119.914 -0.035 0.000 2.599 169 V HA 0.345 4.483 4.120 0.031 0.000 0.300 169 V C 1.585 177.665 176.094 -0.023 0.000 1.034 169 V CA 1.487 63.769 62.300 -0.030 0.000 1.115 169 V CB 0.270 32.076 31.823 -0.028 0.000 0.934 169 V HN 0.915 nan 8.190 nan 0.000 0.485 170 G N 3.731 112.517 108.800 -0.023 0.000 2.179 170 G HA2 -0.252 3.726 3.960 0.031 0.000 0.260 170 G HA3 -0.252 3.726 3.960 0.031 0.000 0.260 170 G C 0.411 175.302 174.900 -0.016 0.000 0.977 170 G CA 0.233 45.321 45.100 -0.020 0.000 0.641 170 G HN 0.743 nan 8.290 nan 0.000 0.533 171 S N 0.872 116.562 115.700 -0.017 0.000 2.585 171 S HA 0.485 4.974 4.470 0.031 0.000 0.273 171 S C 0.436 175.026 174.600 -0.017 0.000 1.339 171 S CA -0.086 58.111 58.200 -0.006 0.000 1.028 171 S CB 0.810 64.007 63.200 -0.006 0.000 0.906 171 S HN 0.325 nan 8.310 nan 0.000 0.528 172 K N 2.320 122.725 120.400 0.007 0.000 2.213 172 K HA 0.419 4.758 4.320 0.031 0.000 0.270 172 K C -1.127 175.467 176.600 -0.010 0.000 1.002 172 K CA -0.485 55.777 56.287 -0.042 0.000 0.868 172 K CB 1.529 34.040 32.500 0.019 0.000 1.093 172 K HN 0.294 nan 8.250 nan 0.000 0.454 173 V N 4.531 124.379 119.914 -0.110 0.000 2.370 173 V HA 0.277 4.416 4.120 0.031 0.000 0.283 173 V C -0.754 175.252 176.094 -0.148 0.000 1.023 173 V CA -0.866 61.411 62.300 -0.038 0.000 0.857 173 V CB 0.355 32.157 31.823 -0.035 0.000 0.985 173 V HN 0.526 nan 8.190 nan 0.000 0.443 174 Y N 3.265 123.570 120.300 0.008 0.000 2.361 174 Y HA 0.688 5.257 4.550 0.031 0.000 0.332 174 Y C 0.156 176.069 175.900 0.022 0.000 1.101 174 Y CA -0.627 57.482 58.100 0.015 0.000 1.137 174 Y CB 1.970 40.442 38.460 0.019 0.000 1.207 174 Y HN 0.373 nan 8.280 nan 0.000 0.463 175 V N 2.175 122.177 119.914 0.146 0.000 2.709 175 V HA 0.316 4.454 4.120 0.031 0.000 0.308 175 V C -0.970 175.193 176.094 0.114 0.000 1.062 175 V CA -1.280 61.082 62.300 0.103 0.000 0.901 175 V CB 1.748 33.603 31.823 0.054 0.000 1.003 175 V HN 0.817 nan 8.190 nan 0.000 0.425 176 D N 3.540 124.006 120.400 0.110 0.000 4.044 176 D HA -0.181 4.478 4.640 0.031 0.000 0.242 176 D C 0.385 176.750 176.300 0.109 0.000 1.076 176 D CA 1.314 55.378 54.000 0.106 0.000 1.171 176 D CB -0.832 40.026 40.800 0.097 0.000 0.866 176 D HN 1.043 nan 8.370 nan 0.000 0.413 177 D N 2.072 122.536 120.400 0.107 0.000 2.733 177 D HA -0.176 4.483 4.640 0.031 0.000 0.232 177 D C 1.181 177.539 176.300 0.096 0.000 1.161 177 D CA 2.963 57.019 54.000 0.093 0.000 0.653 177 D CB -1.125 39.723 40.800 0.081 0.000 1.052 177 D HN 1.353 nan 8.370 nan 0.000 0.424 178 G N -1.377 107.503 108.800 0.134 0.000 2.203 178 G HA2 -0.351 3.627 3.960 0.031 0.000 0.263 178 G HA3 -0.351 3.627 3.960 0.031 0.000 0.263 178 G C 1.073 176.100 174.900 0.211 0.000 1.012 178 G CA 0.532 45.753 45.100 0.201 0.000 0.749 178 G HN 0.554 nan 8.290 nan 0.000 0.512 179 L N -1.121 120.188 121.223 0.144 0.000 2.240 179 L HA 0.328 4.686 4.340 0.031 0.000 0.211 179 L C 1.394 178.316 176.870 0.086 0.000 1.106 179 L CA 0.792 55.696 54.840 0.106 0.000 0.793 179 L CB 0.058 42.168 42.059 0.085 0.000 0.927 179 L HN 0.322 nan 8.230 nan 0.000 0.446 180 I N -1.181 119.438 120.570 0.082 0.000 2.465 180 I HA 0.192 4.380 4.170 0.031 0.000 0.291 180 I C -0.251 175.833 176.117 -0.056 0.000 1.014 180 I CA -0.108 61.198 61.300 0.009 0.000 1.093 180 I CB 2.092 40.092 38.000 0.000 0.000 1.267 180 I HN -0.188 nan 8.210 nan 0.000 0.431 181 S N 6.815 122.414 115.700 -0.168 0.000 2.500 181 S HA 0.785 5.273 4.470 0.031 0.000 0.301 181 S C -0.835 173.593 174.600 -0.287 0.000 1.092 181 S CA -0.568 57.376 58.200 -0.426 0.000 1.030 181 S CB 0.917 63.760 63.200 -0.595 0.000 1.031 181 S HN 0.422 nan 8.310 nan 0.000 0.483 182 L N 3.248 124.291 121.223 -0.299 0.000 2.354 182 L HA 0.626 4.984 4.340 0.031 0.000 0.269 182 L C -0.174 176.593 176.870 -0.171 0.000 1.005 182 L CA -0.822 53.911 54.840 -0.177 0.000 0.819 182 L CB 1.866 43.855 42.059 -0.117 0.000 1.311 182 L HN 0.539 nan 8.230 nan 0.000 0.423 183 Q N 1.152 120.885 119.800 -0.112 0.000 2.322 183 Q HA 0.420 4.778 4.340 0.031 0.000 0.265 183 Q C -1.228 174.738 176.000 -0.056 0.000 0.985 183 Q CA -0.727 55.027 55.803 -0.082 0.000 0.849 183 Q CB 2.595 31.293 28.738 -0.066 0.000 1.274 183 Q HN 0.474 nan 8.270 nan 0.000 0.449 184 V N 5.527 125.413 119.914 -0.047 0.000 2.446 184 V HA 0.014 4.152 4.120 0.031 0.000 0.276 184 V C 0.887 176.964 176.094 -0.028 0.000 1.030 184 V CA 0.347 62.626 62.300 -0.035 0.000 1.033 184 V CB 0.698 32.499 31.823 -0.037 0.000 0.993 184 V HN 0.734 nan 8.190 nan 0.000 0.477 185 K N 3.136 123.524 120.400 -0.019 0.000 2.308 185 K HA 0.250 4.588 4.320 0.031 0.000 0.197 185 K C 0.420 177.016 176.600 -0.007 0.000 1.049 185 K CA 0.521 56.800 56.287 -0.013 0.000 0.991 185 K CB 0.624 33.118 32.500 -0.010 0.000 0.836 185 K HN 0.659 nan 8.250 nan 0.000 0.500 186 Q N 0.069 119.868 119.800 -0.001 0.000 2.345 186 Q HA 0.348 4.706 4.340 0.031 0.000 0.275 186 Q C -1.213 174.768 176.000 -0.032 0.000 1.063 186 Q CA -0.503 55.301 55.803 0.001 0.000 0.819 186 Q CB 2.987 31.753 28.738 0.048 0.000 1.356 186 Q HN -0.170 nan 8.270 nan 0.000 0.418 187 K N 0.743 121.091 120.400 -0.087 0.000 2.307 187 K HA 0.589 4.927 4.320 0.031 0.000 0.263 187 K C -0.534 175.854 176.600 -0.352 0.000 0.973 187 K CA -0.382 55.792 56.287 -0.188 0.000 0.846 187 K CB 1.687 34.096 32.500 -0.152 0.000 1.100 187 K HN 0.750 nan 8.250 nan 0.000 0.438 188 G N 2.691 111.035 108.800 -0.760 0.000 2.471 188 G HA2 0.298 4.277 3.960 0.031 0.000 0.332 188 G HA3 0.298 4.277 3.960 0.031 0.000 0.332 188 G C -2.039 172.376 174.900 -0.809 0.000 1.176 188 G CA -1.556 42.734 45.100 -1.349 0.000 0.949 188 G HN 0.286 nan 8.290 nan 0.000 0.488 189 P HA -0.080 nan 4.420 nan 0.000 0.215 189 P C 1.051 178.217 177.300 -0.223 0.000 1.157 189 P CA 1.626 64.565 63.100 -0.268 0.000 0.874 189 P CB 0.293 31.912 31.700 -0.136 0.000 0.790 190 D N -2.017 118.274 120.400 -0.183 0.000 2.431 190 D HA 0.064 4.722 4.640 0.031 0.000 0.213 190 D C 0.098 176.458 176.300 0.101 0.000 1.130 190 D CA -0.189 53.813 54.000 0.003 0.000 0.834 190 D CB 0.156 41.034 40.800 0.131 0.000 0.985 190 D HN 0.225 nan 8.370 nan 0.000 0.504 191 F N -0.909 119.010 119.950 -0.051 0.000 2.711 191 F HA 0.662 5.207 4.527 0.031 0.000 0.313 191 F C -2.128 173.634 175.800 -0.063 0.000 1.141 191 F CA -1.453 56.512 58.000 -0.057 0.000 0.941 191 F CB 1.232 40.206 39.000 -0.044 0.000 1.349 191 F HN -0.314 nan 8.300 nan 0.000 0.464 192 L N 2.241 123.562 121.223 0.163 0.000 2.410 192 L HA 0.700 5.059 4.340 0.031 0.000 0.270 192 L C -1.198 175.754 176.870 0.136 0.000 0.983 192 L CA -1.271 53.608 54.840 0.064 0.000 0.822 192 L CB 2.181 44.230 42.059 -0.016 0.000 1.285 192 L HN 0.572 nan 8.230 nan 0.000 0.409 193 V N 1.174 121.159 119.914 0.119 0.000 2.350 193 V HA 0.480 4.619 4.120 0.031 0.000 0.276 193 V C 0.442 176.549 176.094 0.020 0.000 1.028 193 V CA -0.377 61.969 62.300 0.077 0.000 0.860 193 V CB 1.323 33.201 31.823 0.091 0.000 0.990 193 V HN 0.898 nan 8.190 nan 0.000 0.453 194 T N 1.389 115.942 114.554 -0.001 0.000 2.950 194 T HA 0.720 5.089 4.350 0.031 0.000 0.288 194 T C -0.672 174.010 174.700 -0.029 0.000 1.035 194 T CA -0.762 61.324 62.100 -0.023 0.000 1.028 194 T CB 2.390 71.236 68.868 -0.036 0.000 1.109 194 T HN 0.687 nan 8.240 nan 0.000 0.514 195 E N 1.023 121.199 120.200 -0.039 0.000 2.199 195 E HA 0.535 4.904 4.350 0.031 0.000 0.269 195 E C -1.158 175.407 176.600 -0.059 0.000 0.899 195 E CA -1.011 55.363 56.400 -0.042 0.000 0.772 195 E CB 1.854 31.532 29.700 -0.036 0.000 1.155 195 E HN 0.564 nan 8.360 nan 0.000 0.408 196 V N 4.750 124.629 119.914 -0.058 0.000 2.470 196 V HA 0.024 4.162 4.120 0.031 0.000 0.276 196 V C 1.099 177.151 176.094 -0.071 0.000 1.040 196 V CA 0.396 62.653 62.300 -0.072 0.000 1.008 196 V CB 1.092 32.875 31.823 -0.068 0.000 0.990 196 V HN 0.889 nan 8.190 nan 0.000 0.477 197 E N 4.044 124.192 120.200 -0.087 0.000 2.099 197 E HA 0.038 4.406 4.350 0.031 0.000 0.191 197 E C 0.180 176.741 176.600 -0.065 0.000 0.962 197 E CA 0.228 56.584 56.400 -0.074 0.000 0.826 197 E CB 0.388 30.038 29.700 -0.084 0.000 0.788 197 E HN 0.740 nan 8.360 nan 0.000 0.461 198 N N 0.797 119.450 118.700 -0.078 0.000 2.476 198 N HA 0.284 5.042 4.740 0.031 0.000 0.257 198 N C -0.410 175.057 175.510 -0.072 0.000 0.970 198 N CA -0.146 52.869 53.050 -0.057 0.000 0.938 198 N CB 1.672 40.141 38.487 -0.031 0.000 1.144 198 N HN 0.156 nan 8.380 nan 0.000 0.500 199 G N -0.121 108.629 108.800 -0.083 0.000 2.599 199 G HA2 0.669 4.648 3.960 0.031 0.000 0.264 199 G HA3 0.669 4.648 3.960 0.031 0.000 0.264 199 G C 0.118 174.924 174.900 -0.157 0.000 1.200 199 G CA -0.181 44.844 45.100 -0.125 0.000 0.896 199 G HN 0.657 nan 8.290 nan 0.000 0.536 200 G N -1.805 106.841 108.800 -0.256 0.000 2.321 200 G HA2 0.414 4.392 3.960 0.031 0.000 0.298 200 G HA3 0.414 4.392 3.960 0.031 0.000 0.298 200 G C -1.415 173.272 174.900 -0.356 0.000 1.385 200 G CA -1.072 43.838 45.100 -0.316 0.000 0.856 200 G HN 0.495 nan 8.290 nan 0.000 0.584 201 F N 0.169 120.132 119.950 0.022 0.000 2.411 201 F HA 0.586 5.131 4.527 0.030 0.000 0.355 201 F C 0.488 176.305 175.800 0.029 0.000 1.117 201 F CA -0.689 57.325 58.000 0.023 0.000 1.139 201 F CB 1.732 40.745 39.000 0.021 0.000 1.120 201 F HN 0.352 nan 8.300 nan 0.000 0.493 202 L N 4.275 125.611 121.223 0.188 0.000 2.257 202 L HA 0.723 5.081 4.340 0.031 0.000 0.290 202 L C 0.254 177.198 176.870 0.124 0.000 1.044 202 L CA 0.132 55.049 54.840 0.127 0.000 0.810 202 L CB 0.525 42.636 42.059 0.088 0.000 1.193 202 L HN 0.641 nan 8.230 nan 0.000 0.425 203 G N 2.903 111.768 108.800 0.108 0.000 2.582 203 G HA2 0.470 4.449 3.960 0.031 0.000 0.232 203 G HA3 0.470 4.449 3.960 0.031 0.000 0.232 203 G C -0.778 174.174 174.900 0.086 0.000 1.458 203 G CA -0.542 44.609 45.100 0.086 0.000 1.062 203 G HN 0.620 nan 8.290 nan 0.000 0.566 204 S N -0.083 115.663 115.700 0.076 0.000 2.593 204 S HA 0.464 4.952 4.470 0.031 0.000 0.297 204 S C -0.342 174.320 174.600 0.104 0.000 1.112 204 S CA -0.645 57.608 58.200 0.088 0.000 1.043 204 S CB 1.520 64.760 63.200 0.066 0.000 1.054 204 S HN 0.500 nan 8.310 nan 0.000 0.516 205 K N 0.843 121.325 120.400 0.137 0.000 3.278 205 K HA -0.134 4.204 4.320 0.031 0.000 0.270 205 K C -0.750 175.945 176.600 0.157 0.000 0.955 205 K CA 0.620 57.005 56.287 0.163 0.000 0.723 205 K CB -1.074 31.525 32.500 0.165 0.000 1.382 205 K HN 0.414 nan 8.250 nan 0.000 0.461 206 K N 0.143 120.626 120.400 0.138 0.000 2.098 206 K HA 0.300 4.638 4.320 0.031 0.000 0.261 206 K C 0.937 177.610 176.600 0.122 0.000 0.987 206 K CA -0.183 56.180 56.287 0.126 0.000 0.916 206 K CB 1.045 33.611 32.500 0.109 0.000 1.039 206 K HN 0.335 nan 8.250 nan 0.000 0.455 207 G N 0.635 109.509 108.800 0.123 0.000 2.398 207 G HA2 0.299 4.277 3.960 0.031 0.000 0.246 207 G HA3 0.299 4.277 3.960 0.031 0.000 0.246 207 G C -0.475 174.486 174.900 0.101 0.000 1.289 207 G CA -0.361 44.808 45.100 0.115 0.000 0.869 207 G HN 0.223 nan 8.290 nan 0.000 0.543 208 V N 3.085 123.045 119.914 0.077 0.000 2.495 208 V HA 0.361 4.500 4.120 0.031 0.000 0.298 208 V C -0.361 175.768 176.094 0.058 0.000 1.031 208 V CA -0.981 61.361 62.300 0.071 0.000 0.871 208 V CB 1.825 33.673 31.823 0.042 0.000 0.988 208 V HN 0.784 nan 8.190 nan 0.000 0.432 209 N N 3.854 122.615 118.700 0.103 0.000 2.269 209 N HA 0.751 5.509 4.740 0.031 0.000 0.304 209 N C -1.212 174.371 175.510 0.122 0.000 1.072 209 N CA -0.609 52.489 53.050 0.080 0.000 0.802 209 N CB 2.115 40.646 38.487 0.074 0.000 1.348 209 N HN 0.559 nan 8.380 nan 0.000 0.484 210 L N 2.262 123.523 121.223 0.064 0.000 2.408 210 L HA 0.453 4.812 4.340 0.031 0.000 0.257 210 L C -1.899 175.005 176.870 0.057 0.000 1.053 210 L CA -1.351 53.541 54.840 0.088 0.000 0.922 210 L CB 1.444 43.547 42.059 0.073 0.000 1.261 210 L HN 0.406 nan 8.230 nan 0.000 0.458 211 P HA -0.085 nan 4.420 nan 0.000 0.216 211 P C 1.440 178.749 177.300 0.015 0.000 1.153 211 P CA 0.828 63.936 63.100 0.012 0.000 0.844 211 P CB 0.338 32.014 31.700 -0.039 0.000 0.787 212 G N -1.288 107.532 108.800 0.033 0.000 3.327 212 G HA2 0.393 4.371 3.960 0.031 0.000 0.240 212 G HA3 0.393 4.371 3.960 0.031 0.000 0.240 212 G C 0.099 175.012 174.900 0.022 0.000 1.222 212 G CA 0.225 45.335 45.100 0.018 0.000 0.871 212 G HN 0.439 nan 8.290 nan 0.000 0.525 213 A N -0.324 122.513 122.820 0.028 0.000 2.386 213 A HA 0.791 5.129 4.320 0.031 0.000 0.311 213 A C 0.014 177.615 177.584 0.028 0.000 1.068 213 A CA -0.311 51.746 52.037 0.032 0.000 0.743 213 A CB 1.521 20.550 19.000 0.048 0.000 1.258 213 A HN 0.790 nan 8.150 nan 0.000 0.429 214 A N 2.226 125.064 122.820 0.030 0.000 2.807 214 A HA 0.515 4.853 4.320 0.031 0.000 0.307 214 A C 0.069 177.671 177.584 0.030 0.000 1.532 214 A CA -0.218 51.834 52.037 0.024 0.000 1.215 214 A CB -0.875 18.140 19.000 0.025 0.000 1.127 214 A HN 1.023 nan 8.150 nan 0.000 0.543 215 V N 3.209 123.119 119.914 -0.006 0.000 2.529 215 V HA 0.011 4.150 4.120 0.031 0.000 0.292 215 V C 0.784 176.847 176.094 -0.051 0.000 1.028 215 V CA 0.638 62.909 62.300 -0.049 0.000 1.074 215 V CB 0.649 32.330 31.823 -0.236 0.000 0.958 215 V HN 0.956 nan 8.190 nan 0.000 0.481 216 D N 3.364 123.785 120.400 0.035 0.000 2.342 216 D HA 0.097 4.755 4.640 0.031 0.000 0.221 216 D C 0.431 176.729 176.300 -0.002 0.000 1.101 216 D CA -0.219 53.803 54.000 0.036 0.000 0.837 216 D CB -0.081 40.770 40.800 0.085 0.000 0.938 216 D HN 0.428 nan 8.370 nan 0.000 0.508 217 L N 1.366 122.515 121.223 -0.124 0.000 2.483 217 L HA 0.174 4.532 4.340 0.031 0.000 0.276 217 L C -1.616 175.207 176.870 -0.079 0.000 1.213 217 L CA -1.362 53.393 54.840 -0.141 0.000 0.843 217 L CB 0.069 41.936 42.059 -0.320 0.000 1.107 217 L HN -0.022 nan 8.230 nan 0.000 0.487 218 P HA 0.044 nan 4.420 nan 0.000 0.271 218 P C 0.034 177.327 177.300 -0.011 0.000 1.220 218 P CA -0.233 62.860 63.100 -0.013 0.000 0.768 218 P CB 1.227 32.931 31.700 0.006 0.000 0.848 219 A N 4.182 127.004 122.820 0.003 0.000 1.892 219 A HA -0.081 4.257 4.320 0.031 0.000 0.218 219 A C 0.973 178.579 177.584 0.036 0.000 1.188 219 A CA 1.565 53.617 52.037 0.024 0.000 0.631 219 A CB -0.715 18.300 19.000 0.025 0.000 0.822 219 A HN 0.459 nan 8.150 nan 0.000 0.447 220 V N 1.088 121.019 119.914 0.028 0.000 2.349 220 V HA 0.399 4.538 4.120 0.031 0.000 0.284 220 V C 0.243 176.355 176.094 0.029 0.000 1.014 220 V CA -0.251 62.067 62.300 0.031 0.000 0.826 220 V CB 0.911 32.751 31.823 0.028 0.000 1.009 220 V HN 0.572 nan 8.190 nan 0.000 0.431 221 S N 3.185 118.905 115.700 0.032 0.000 2.655 221 S HA 0.363 4.851 4.470 0.031 0.000 0.265 221 S C 0.952 175.575 174.600 0.039 0.000 1.240 221 S CA -0.432 57.788 58.200 0.033 0.000 0.986 221 S CB 1.305 64.526 63.200 0.034 0.000 0.985 221 S HN 0.564 nan 8.310 nan 0.000 0.562 222 E N 0.816 121.039 120.200 0.039 0.000 2.085 222 E HA -0.149 4.220 4.350 0.031 0.000 0.194 222 E C 1.826 178.457 176.600 0.051 0.000 0.994 222 E CA 1.172 57.597 56.400 0.042 0.000 0.801 222 E CB -0.384 29.339 29.700 0.038 0.000 0.743 222 E HN 0.727 nan 8.360 nan 0.000 0.453 223 K N 0.718 121.152 120.400 0.056 0.000 2.026 223 K HA -0.169 4.169 4.320 0.031 0.000 0.208 223 K C 1.501 178.155 176.600 0.090 0.000 1.048 223 K CA 1.600 57.932 56.287 0.075 0.000 0.929 223 K CB -0.014 32.534 32.500 0.080 0.000 0.713 223 K HN 0.027 nan 8.250 nan 0.000 0.439 224 D N 1.009 121.451 120.400 0.069 0.000 2.123 224 D HA -0.185 4.473 4.640 0.031 0.000 0.196 224 D C 2.092 178.411 176.300 0.031 0.000 0.992 224 D CA 1.148 55.176 54.000 0.047 0.000 0.833 224 D CB -0.279 40.545 40.800 0.039 0.000 0.954 224 D HN 0.308 nan 8.370 nan 0.000 0.455 225 I N 1.084 121.679 120.570 0.041 0.000 2.091 225 I HA -0.342 3.847 4.170 0.031 0.000 0.239 225 I C 2.619 178.772 176.117 0.061 0.000 1.061 225 I CA 1.417 62.741 61.300 0.040 0.000 1.317 225 I CB -0.359 37.666 38.000 0.041 0.000 1.031 225 I HN 0.009 nan 8.210 nan 0.000 0.401 226 Q N 0.332 120.187 119.800 0.092 0.000 2.096 226 Q HA -0.255 4.103 4.340 0.031 0.000 0.204 226 Q C 1.876 178.010 176.000 0.223 0.000 0.982 226 Q CA 1.838 57.736 55.803 0.157 0.000 0.850 226 Q CB -0.195 28.629 28.738 0.144 0.000 0.901 226 Q HN 0.475 nan 8.270 nan 0.000 0.422 227 D N 0.478 120.976 120.400 0.163 0.000 2.144 227 D HA -0.127 4.531 4.640 0.031 0.000 0.199 227 D C 1.865 178.070 176.300 -0.159 0.000 0.984 227 D CA 0.926 54.918 54.000 -0.013 0.000 0.834 227 D CB -0.116 40.633 40.800 -0.083 0.000 0.955 227 D HN 0.190 nan 8.370 nan 0.000 0.465 228 L N 0.548 121.722 121.223 -0.083 0.000 2.027 228 L HA -0.137 4.221 4.340 0.031 0.000 0.206 228 L C 2.401 179.243 176.870 -0.048 0.000 1.074 228 L CA 0.977 55.762 54.840 -0.092 0.000 0.745 228 L CB -0.261 41.768 42.059 -0.049 0.000 0.898 228 L HN -0.065 nan 8.230 nan 0.000 0.433 229 K N -0.238 120.173 120.400 0.018 0.000 2.063 229 K HA -0.232 4.106 4.320 0.031 0.000 0.208 229 K C 2.078 178.709 176.600 0.051 0.000 1.048 229 K CA 1.657 57.969 56.287 0.041 0.000 0.928 229 K CB -0.714 31.834 32.500 0.080 0.000 0.713 229 K HN 0.180 nan 8.250 nan 0.000 0.442 230 F N 1.749 121.652 119.950 -0.078 0.000 2.134 230 F HA -0.124 4.421 4.527 0.030 0.000 0.299 230 F C 2.178 177.880 175.800 -0.164 0.000 1.097 230 F CA 1.718 59.640 58.000 -0.129 0.000 1.264 230 F CB -0.668 38.135 39.000 -0.330 0.000 1.001 230 F HN 0.073 nan 8.300 nan 0.000 0.479 231 G N 0.114 108.793 108.800 -0.201 0.000 2.469 231 G HA2 -0.267 3.711 3.960 0.031 0.000 0.219 231 G HA3 -0.267 3.711 3.960 0.031 0.000 0.219 231 G C 1.754 176.520 174.900 -0.224 0.000 1.150 231 G CA 1.371 46.311 45.100 -0.266 0.000 0.763 231 G HN 0.356 nan 8.290 nan 0.000 0.561 232 V N 0.635 120.458 119.914 -0.151 0.000 2.358 232 V HA -0.104 4.035 4.120 0.031 0.000 0.246 232 V C 2.725 178.744 176.094 -0.125 0.000 1.047 232 V CA 1.885 64.121 62.300 -0.108 0.000 1.035 232 V CB -0.265 31.523 31.823 -0.058 0.000 0.658 232 V HN 0.322 nan 8.190 nan 0.000 0.452 233 E N -0.293 119.812 120.200 -0.158 0.000 2.274 233 E HA -0.135 4.234 4.350 0.031 0.000 0.194 233 E C 2.043 178.508 176.600 -0.225 0.000 0.996 233 E CA 0.653 56.958 56.400 -0.158 0.000 0.840 233 E CB -0.067 29.560 29.700 -0.122 0.000 0.772 233 E HN 0.584 nan 8.360 nan 0.000 0.491 234 Q N 0.319 119.916 119.800 -0.338 0.000 2.319 234 Q HA -0.008 4.350 4.340 0.031 0.000 0.202 234 Q C -0.290 175.602 176.000 -0.181 0.000 0.896 234 Q CA 0.022 55.630 55.803 -0.325 0.000 0.942 234 Q CB 0.392 28.808 28.738 -0.537 0.000 1.083 234 Q HN 0.108 nan 8.270 nan 0.000 0.510 235 D N 0.605 120.919 120.400 -0.143 0.000 2.699 235 D HA -0.143 4.516 4.640 0.031 0.000 0.239 235 D C -0.249 176.009 176.300 -0.070 0.000 1.136 235 D CA 0.503 54.453 54.000 -0.084 0.000 0.668 235 D CB -1.252 39.515 40.800 -0.055 0.000 1.060 235 D HN 0.174 nan 8.370 nan 0.000 0.429 236 V N -2.304 117.553 119.914 -0.097 0.000 2.811 236 V HA 0.273 4.411 4.120 0.031 0.000 0.302 236 V C 1.380 177.438 176.094 -0.061 0.000 1.063 236 V CA 0.291 62.539 62.300 -0.085 0.000 1.088 236 V CB 1.455 33.202 31.823 -0.126 0.000 0.982 236 V HN 0.069 nan 8.190 nan 0.000 0.485 237 D N 3.429 123.804 120.400 -0.043 0.000 2.249 237 D HA 0.125 4.784 4.640 0.031 0.000 0.205 237 D C 0.684 176.972 176.300 -0.020 0.000 0.962 237 D CA 1.542 55.536 54.000 -0.009 0.000 0.860 237 D CB 0.398 41.216 40.800 0.030 0.000 0.955 237 D HN 0.833 nan 8.370 nan 0.000 0.505 238 M N -1.260 118.292 119.600 -0.080 0.000 2.578 238 M HA 0.498 4.996 4.480 0.031 0.000 0.276 238 M C -1.818 174.360 176.300 -0.204 0.000 1.245 238 M CA -0.916 54.332 55.300 -0.087 0.000 0.871 238 M CB 2.989 35.582 32.600 -0.011 0.000 1.722 238 M HN -0.431 nan 8.290 nan 0.000 0.473 239 V N 2.438 122.284 119.914 -0.114 0.000 2.487 239 V HA 0.536 4.674 4.120 0.031 0.000 0.298 239 V C -1.317 174.831 176.094 0.089 0.000 1.028 239 V CA -0.387 61.838 62.300 -0.126 0.000 0.860 239 V CB 1.829 33.610 31.823 -0.071 0.000 0.991 239 V HN 0.670 nan 8.190 nan 0.000 0.427 240 F N 3.632 123.567 119.950 -0.025 0.000 2.350 240 F HA 0.644 5.190 4.527 0.032 0.000 0.365 240 F C 0.722 176.502 175.800 -0.033 0.000 1.122 240 F CA -1.526 56.458 58.000 -0.028 0.000 1.139 240 F CB 0.845 39.834 39.000 -0.019 0.000 1.220 240 F HN 0.505 nan 8.300 nan 0.000 0.499 241 A N 2.793 125.699 122.820 0.143 0.000 2.269 241 A HA 0.559 4.898 4.320 0.031 0.000 0.302 241 A C 0.329 177.931 177.584 0.030 0.000 1.266 241 A CA -0.424 51.653 52.037 0.066 0.000 0.894 241 A CB 0.073 19.098 19.000 0.041 0.000 1.147 241 A HN 0.602 nan 8.150 nan 0.000 0.537 242 S N 1.390 117.105 115.700 0.026 0.000 2.565 242 S HA 0.435 4.924 4.470 0.031 0.000 0.276 242 S C -0.091 174.534 174.600 0.042 0.000 1.326 242 S CA -0.042 58.117 58.200 -0.069 0.000 1.045 242 S CB -0.299 62.882 63.200 -0.031 0.000 0.918 242 S HN 0.794 nan 8.310 nan 0.000 0.505 243 F N -0.399 119.555 119.950 0.006 0.000 3.091 243 F HA -0.157 4.389 4.527 0.031 0.000 0.288 243 F C 0.170 175.964 175.800 -0.010 0.000 0.907 243 F CA -0.286 57.710 58.000 -0.007 0.000 1.028 243 F CB -1.697 37.293 39.000 -0.018 0.000 1.022 243 F HN 0.400 nan 8.300 nan 0.000 0.665 244 I N 1.065 121.690 120.570 0.091 0.000 2.664 244 I HA -0.029 4.159 4.170 0.031 0.000 0.284 244 I C 1.535 177.685 176.117 0.054 0.000 1.154 244 I CA 0.704 62.035 61.300 0.053 0.000 1.402 244 I CB 0.696 38.702 38.000 0.010 0.000 1.395 244 I HN 0.346 nan 8.210 nan 0.000 0.545 245 R N 5.126 125.652 120.500 0.043 0.000 2.225 245 R HA 0.145 4.504 4.340 0.031 0.000 0.194 245 R C 0.090 176.391 176.300 0.001 0.000 0.957 245 R CA 0.373 56.492 56.100 0.032 0.000 1.042 245 R CB 0.552 30.872 30.300 0.033 0.000 1.004 245 R HN 0.637 nan 8.270 nan 0.000 0.509 246 K N -2.382 118.007 120.400 -0.018 0.000 2.533 246 K HA 0.535 4.873 4.320 0.031 0.000 0.284 246 K C 0.030 176.576 176.600 -0.091 0.000 1.025 246 K CA -0.351 55.910 56.287 -0.043 0.000 0.900 246 K CB 1.070 33.555 32.500 -0.024 0.000 1.519 246 K HN -0.171 nan 8.250 nan 0.000 0.432 247 A N 0.679 123.426 122.820 -0.121 0.000 1.902 247 A HA -0.063 4.275 4.320 0.031 0.000 0.217 247 A C 2.234 179.601 177.584 -0.361 0.000 1.181 247 A CA 2.144 54.028 52.037 -0.255 0.000 0.623 247 A CB -1.175 17.711 19.000 -0.190 0.000 0.818 247 A HN 0.801 nan 8.150 nan 0.000 0.443 248 A N -0.061 122.699 122.820 -0.101 0.000 2.024 248 A HA -0.178 4.161 4.320 0.031 0.000 0.220 248 A C 1.641 179.221 177.584 -0.007 0.000 1.164 248 A CA 1.889 53.950 52.037 0.039 0.000 0.643 248 A CB -0.522 18.524 19.000 0.078 0.000 0.806 248 A HN 0.468 nan 8.150 nan 0.000 0.451 249 D N -0.370 120.000 120.400 -0.050 0.000 2.144 249 D HA -0.075 4.583 4.640 0.031 0.000 0.200 249 D C 2.038 178.309 176.300 -0.049 0.000 0.978 249 D CA 1.340 55.323 54.000 -0.028 0.000 0.833 249 D CB -0.267 40.522 40.800 -0.017 0.000 0.961 249 D HN 0.268 nan 8.370 nan 0.000 0.470 250 V N 0.461 120.293 119.914 -0.135 0.000 2.379 250 V HA -0.211 3.928 4.120 0.031 0.000 0.245 250 V C 1.915 177.957 176.094 -0.086 0.000 1.044 250 V CA 1.562 63.775 62.300 -0.145 0.000 1.036 250 V CB -0.780 30.900 31.823 -0.238 0.000 0.664 250 V HN 0.298 nan 8.190 nan 0.000 0.453 251 H N -0.176 118.890 119.070 -0.006 0.000 2.421 251 H HA -0.188 4.387 4.556 0.031 0.000 0.298 251 H C 2.367 177.695 175.328 -0.000 0.000 1.087 251 H CA 1.509 57.554 56.048 -0.005 0.000 1.330 251 H CB 0.188 29.946 29.762 -0.007 0.000 1.388 251 H HN 0.470 nan 8.280 nan 0.000 0.526 252 E N 0.771 121.032 120.200 0.102 0.000 2.046 252 E HA -0.108 4.260 4.350 0.031 0.000 0.190 252 E C 2.192 178.817 176.600 0.042 0.000 0.982 252 E CA 0.981 57.419 56.400 0.063 0.000 0.800 252 E CB -0.220 29.507 29.700 0.045 0.000 0.756 252 E HN 0.180 nan 8.360 nan 0.000 0.449 253 V N 0.956 120.887 119.914 0.029 0.000 2.332 253 V HA -0.269 3.869 4.120 0.031 0.000 0.248 253 V C 2.559 178.666 176.094 0.022 0.000 1.055 253 V CA 2.113 64.424 62.300 0.018 0.000 1.038 253 V CB -0.652 31.176 31.823 0.008 0.000 0.651 253 V HN 0.214 nan 8.190 nan 0.000 0.450 254 R N 0.838 121.361 120.500 0.038 0.000 2.080 254 R HA -0.186 4.172 4.340 0.031 0.000 0.236 254 R C 2.338 178.660 176.300 0.037 0.000 1.137 254 R CA 2.084 58.210 56.100 0.044 0.000 0.943 254 R CB -0.617 29.730 30.300 0.078 0.000 0.846 254 R HN 0.488 nan 8.270 nan 0.000 0.431 255 K N -0.280 120.147 120.400 0.044 0.000 2.074 255 K HA -0.147 4.191 4.320 0.031 0.000 0.209 255 K C 1.774 178.387 176.600 0.022 0.000 1.048 255 K CA 1.649 57.955 56.287 0.031 0.000 0.926 255 K CB -0.082 32.438 32.500 0.033 0.000 0.713 255 K HN 0.160 nan 8.250 nan 0.000 0.444 256 I N 1.282 121.865 120.570 0.021 0.000 2.286 256 I HA -0.212 3.977 4.170 0.031 0.000 0.245 256 I C 2.230 178.352 176.117 0.008 0.000 1.104 256 I CA 1.098 62.407 61.300 0.015 0.000 1.397 256 I CB -1.008 37.001 38.000 0.015 0.000 1.072 256 I HN 0.235 nan 8.210 nan 0.000 0.417 257 L N 0.302 121.527 121.223 0.003 0.000 2.079 257 L HA -0.083 4.275 4.340 0.031 0.000 0.210 257 L C 1.632 178.503 176.870 0.001 0.000 1.081 257 L CA 1.067 55.904 54.840 -0.005 0.000 0.752 257 L CB -1.045 41.010 42.059 -0.006 0.000 0.896 257 L HN 0.492 nan 8.230 nan 0.000 0.433 258 G N 0.207 109.012 108.800 0.008 0.000 2.569 258 G HA2 -0.432 3.547 3.960 0.031 0.000 0.259 258 G HA3 -0.432 3.547 3.960 0.031 0.000 0.259 258 G C 0.495 175.400 174.900 0.008 0.000 1.263 258 G CA 0.603 45.708 45.100 0.009 0.000 0.928 258 G HN 0.317 nan 8.290 nan 0.000 0.572 259 E N -0.047 120.157 120.200 0.007 0.000 2.107 259 E HA 0.021 4.389 4.350 0.031 0.000 0.191 259 E C 2.365 178.967 176.600 0.004 0.000 0.982 259 E CA 1.927 58.331 56.400 0.006 0.000 0.809 259 E CB -0.198 29.506 29.700 0.006 0.000 0.756 259 E HN 0.551 nan 8.360 nan 0.000 0.459 260 K N -0.928 119.473 120.400 0.001 0.000 2.148 260 K HA -0.024 4.314 4.320 0.031 0.000 0.204 260 K C 1.237 177.833 176.600 -0.007 0.000 1.050 260 K CA 1.259 57.544 56.287 -0.004 0.000 0.942 260 K CB -0.169 32.327 32.500 -0.007 0.000 0.724 260 K HN 0.207 nan 8.250 nan 0.000 0.446 261 G N 0.967 109.763 108.800 -0.006 0.000 3.820 261 G HA2 0.014 3.992 3.960 0.031 0.000 0.293 261 G HA3 0.014 3.992 3.960 0.031 0.000 0.293 261 G C 0.623 175.524 174.900 0.001 0.000 1.152 261 G CA -0.422 44.672 45.100 -0.010 0.000 0.921 261 G HN 0.329 nan 8.290 nan 0.000 0.544 262 K N -0.476 119.929 120.400 0.008 0.000 2.217 262 K HA 0.042 4.381 4.320 0.031 0.000 0.202 262 K C 1.169 177.783 176.600 0.024 0.000 1.051 262 K CA 0.643 56.940 56.287 0.017 0.000 0.952 262 K CB 0.038 32.549 32.500 0.017 0.000 0.736 262 K HN 0.024 nan 8.250 nan 0.000 0.453 263 N N 0.952 119.666 118.700 0.024 0.000 2.398 263 N HA 0.134 4.893 4.740 0.031 0.000 0.188 263 N C -0.081 175.450 175.510 0.035 0.000 1.122 263 N CA 0.228 53.300 53.050 0.036 0.000 0.866 263 N CB 0.215 38.725 38.487 0.038 0.000 0.970 263 N HN 0.244 nan 8.380 nan 0.000 0.462 264 I N 1.781 122.363 120.570 0.019 0.000 2.416 264 I HA 0.025 4.213 4.170 0.031 0.000 0.288 264 I C 0.440 176.569 176.117 0.021 0.000 1.051 264 I CA -0.344 60.961 61.300 0.010 0.000 1.375 264 I CB 0.652 38.643 38.000 -0.016 0.000 1.407 264 I HN -0.354 nan 8.210 nan 0.000 0.516 265 K N 7.504 127.923 120.400 0.031 0.000 2.276 265 K HA 0.433 4.771 4.320 0.031 0.000 0.283 265 K C -0.379 176.248 176.600 0.045 0.000 1.044 265 K CA -0.230 56.084 56.287 0.046 0.000 0.944 265 K CB 1.188 33.727 32.500 0.065 0.000 1.012 265 K HN 0.517 nan 8.250 nan 0.000 0.472 266 I N 4.973 125.568 120.570 0.041 0.000 2.307 266 I HA 0.163 4.352 4.170 0.031 0.000 0.289 266 I C 0.021 176.172 176.117 0.057 0.000 1.021 266 I CA -0.704 60.622 61.300 0.044 0.000 1.224 266 I CB 0.647 38.658 38.000 0.019 0.000 1.376 266 I HN 0.180 nan 8.210 nan 0.000 0.470 267 I N 5.164 125.808 120.570 0.124 0.000 2.297 267 I HA 0.200 4.389 4.170 0.031 0.000 0.291 267 I C 0.527 176.679 176.117 0.059 0.000 1.033 267 I CA -0.086 61.271 61.300 0.096 0.000 1.253 267 I CB 0.910 39.010 38.000 0.167 0.000 1.396 267 I HN 0.439 nan 8.210 nan 0.000 0.476 268 S N 6.565 122.268 115.700 0.005 0.000 2.499 268 S HA 0.256 4.745 4.470 0.031 0.000 0.275 268 S C 0.308 174.893 174.600 -0.025 0.000 1.257 268 S CA -0.569 57.629 58.200 -0.004 0.000 1.050 268 S CB 0.618 63.808 63.200 -0.016 0.000 0.937 268 S HN 0.371 nan 8.310 nan 0.000 0.490 269 K N 3.180 123.553 120.400 -0.044 0.000 2.262 269 K HA 0.303 4.641 4.320 0.031 0.000 0.282 269 K C -0.566 175.978 176.600 -0.093 0.000 1.066 269 K CA -0.373 55.852 56.287 -0.102 0.000 0.901 269 K CB 0.475 32.885 32.500 -0.150 0.000 1.089 269 K HN 0.434 nan 8.250 nan 0.000 0.476 270 I N 4.500 125.025 120.570 -0.074 0.000 2.312 270 I HA 0.055 4.243 4.170 0.031 0.000 0.291 270 I C 0.860 176.926 176.117 -0.084 0.000 1.031 270 I CA 0.287 61.560 61.300 -0.046 0.000 1.293 270 I CB 0.554 38.539 38.000 -0.024 0.000 1.403 270 I HN 0.803 nan 8.210 nan 0.000 0.484 271 E N 4.034 124.200 120.200 -0.057 0.000 2.713 271 E HA 0.110 4.478 4.350 0.031 0.000 0.199 271 E C -0.508 176.142 176.600 0.083 0.000 0.940 271 E CA -0.433 55.936 56.400 -0.052 0.000 1.310 271 E CB 0.304 29.861 29.700 -0.237 0.000 1.129 271 E HN 0.647 nan 8.360 nan 0.000 0.557 272 N N -0.322 118.441 118.700 0.105 0.000 2.629 272 N HA 0.112 4.870 4.740 0.031 0.000 0.279 272 N C 0.417 175.989 175.510 0.104 0.000 1.344 272 N CA -0.811 52.317 53.050 0.130 0.000 0.789 272 N CB 0.526 39.114 38.487 0.168 0.000 1.508 272 N HN -0.034 nan 8.380 nan 0.000 0.516 273 H N -0.589 118.491 119.070 0.015 0.000 2.353 273 H HA -0.084 4.490 4.556 0.030 0.000 0.300 273 H C 0.960 176.293 175.328 0.009 0.000 1.090 273 H CA 1.865 57.913 56.048 -0.001 0.000 1.327 273 H CB 0.428 30.186 29.762 -0.006 0.000 1.383 273 H HN 0.816 nan 8.280 nan 0.000 0.508 274 E N -0.190 120.003 120.200 -0.011 0.000 2.150 274 E HA -0.087 4.281 4.350 0.031 0.000 0.193 274 E C 2.310 178.882 176.600 -0.047 0.000 0.985 274 E CA 0.721 57.085 56.400 -0.060 0.000 0.814 274 E CB -0.175 29.532 29.700 0.011 0.000 0.752 274 E HN 0.578 nan 8.360 nan 0.000 0.466 275 G N 0.088 108.887 108.800 -0.001 0.000 2.448 275 G HA2 -0.156 3.823 3.960 0.031 0.000 0.218 275 G HA3 -0.156 3.823 3.960 0.031 0.000 0.218 275 G C 1.522 176.447 174.900 0.042 0.000 1.135 275 G CA 0.708 45.826 45.100 0.030 0.000 0.784 275 G HN 0.195 nan 8.290 nan 0.000 0.543 276 V N 0.169 120.059 119.914 -0.039 0.000 2.446 276 V HA 0.000 4.139 4.120 0.031 0.000 0.244 276 V C 2.752 178.801 176.094 -0.076 0.000 1.039 276 V CA 1.132 63.390 62.300 -0.070 0.000 1.045 276 V CB -0.418 31.332 31.823 -0.121 0.000 0.681 276 V HN 0.218 nan 8.190 nan 0.000 0.459 277 R N 0.574 120.958 120.500 -0.193 0.000 2.091 277 R HA -0.083 4.276 4.340 0.031 0.000 0.238 277 R C 1.813 178.079 176.300 -0.057 0.000 1.136 277 R CA 1.353 57.352 56.100 -0.168 0.000 0.959 277 R CB -0.112 30.039 30.300 -0.248 0.000 0.856 277 R HN 0.457 nan 8.270 nan 0.000 0.437 278 R N -0.353 120.129 120.500 -0.031 0.000 2.586 278 R HA 0.038 4.396 4.340 0.031 0.000 0.306 278 R C 1.135 177.439 176.300 0.006 0.000 1.079 278 R CA -0.325 55.765 56.100 -0.016 0.000 1.083 278 R CB -0.006 30.276 30.300 -0.030 0.000 1.306 278 R HN 0.144 nan 8.270 nan 0.000 0.567 279 F N 2.276 122.178 119.950 -0.080 0.000 2.126 279 F HA -0.215 4.330 4.527 0.030 0.000 0.299 279 F C 1.406 177.167 175.800 -0.064 0.000 1.096 279 F CA 1.746 59.701 58.000 -0.074 0.000 1.255 279 F CB 0.113 39.066 39.000 -0.078 0.000 0.997 279 F HN -0.010 nan 8.300 nan 0.000 0.479 280 D N 0.463 120.719 120.400 -0.240 0.000 2.092 280 D HA -0.247 4.411 4.640 0.031 0.000 0.193 280 D C 2.179 178.308 176.300 -0.285 0.000 0.994 280 D CA 1.997 55.823 54.000 -0.289 0.000 0.828 280 D CB -0.631 40.111 40.800 -0.098 0.000 0.963 280 D HN 0.691 nan 8.370 nan 0.000 0.450 281 E N 0.369 120.457 120.200 -0.188 0.000 2.204 281 E HA -0.109 4.260 4.350 0.031 0.000 0.194 281 E C 2.203 178.680 176.600 -0.205 0.000 0.989 281 E CA 0.640 56.949 56.400 -0.151 0.000 0.824 281 E CB -0.387 29.260 29.700 -0.088 0.000 0.756 281 E HN 0.293 nan 8.360 nan 0.000 0.477 282 I N 0.591 121.005 120.570 -0.260 0.000 2.202 282 I HA -0.199 3.989 4.170 0.031 0.000 0.242 282 I C 2.432 178.347 176.117 -0.337 0.000 1.091 282 I CA 0.512 61.652 61.300 -0.265 0.000 1.368 282 I CB -0.187 37.697 38.000 -0.193 0.000 1.058 282 I HN 0.144 nan 8.210 nan 0.000 0.410 283 L N 0.975 121.855 121.223 -0.572 0.000 2.012 283 L HA -0.236 4.123 4.340 0.031 0.000 0.210 283 L C 2.545 179.253 176.870 -0.270 0.000 1.073 283 L CA 1.955 56.482 54.840 -0.521 0.000 0.748 283 L CB -0.867 40.718 42.059 -0.790 0.000 0.891 283 L HN 0.227 nan 8.230 nan 0.000 0.431 284 E N -0.007 120.055 120.200 -0.231 0.000 2.097 284 E HA -0.250 4.119 4.350 0.031 0.000 0.196 284 E C 1.919 178.466 176.600 -0.087 0.000 1.000 284 E CA 1.611 57.936 56.400 -0.125 0.000 0.804 284 E CB -0.137 29.507 29.700 -0.093 0.000 0.740 284 E HN 0.599 nan 8.360 nan 0.000 0.454 285 A N 0.296 123.046 122.820 -0.117 0.000 2.119 285 A HA 0.062 4.400 4.320 0.031 0.000 0.216 285 A C 1.458 178.991 177.584 -0.086 0.000 1.152 285 A CA 0.361 52.340 52.037 -0.097 0.000 0.708 285 A CB 0.087 18.933 19.000 -0.258 0.000 0.805 285 A HN 0.149 nan 8.150 nan 0.000 0.460 286 S N -0.144 115.494 115.700 -0.103 0.000 2.713 286 S HA 0.312 4.800 4.470 0.031 0.000 0.283 286 S C 0.059 174.633 174.600 -0.043 0.000 1.161 286 S CA -0.531 57.625 58.200 -0.073 0.000 0.999 286 S CB 0.972 64.118 63.200 -0.089 0.000 1.039 286 S HN 0.404 nan 8.310 nan 0.000 0.548 287 D N 0.271 120.657 120.400 -0.022 0.000 2.367 287 D HA 0.282 4.940 4.640 0.031 0.000 0.207 287 D C 0.738 177.011 176.300 -0.045 0.000 1.034 287 D CA 0.423 54.416 54.000 -0.011 0.000 0.861 287 D CB 0.624 41.434 40.800 0.016 0.000 0.943 287 D HN 0.629 nan 8.370 nan 0.000 0.515 288 G N 0.053 108.823 108.800 -0.050 0.000 2.349 288 G HA2 0.421 4.400 3.960 0.031 0.000 0.294 288 G HA3 0.421 4.400 3.960 0.031 0.000 0.294 288 G C -1.857 173.017 174.900 -0.044 0.000 1.380 288 G CA -0.616 44.440 45.100 -0.073 0.000 0.811 288 G HN -0.083 nan 8.290 nan 0.000 0.519 289 I N 0.307 120.850 120.570 -0.045 0.000 2.865 289 I HA 0.586 4.774 4.170 0.031 0.000 0.302 289 I C -0.463 175.589 176.117 -0.107 0.000 1.140 289 I CA -0.808 60.484 61.300 -0.013 0.000 1.021 289 I CB 2.141 40.225 38.000 0.140 0.000 1.233 289 I HN 0.642 nan 8.210 nan 0.000 0.427 290 M N 4.792 124.310 119.600 -0.136 0.000 2.190 290 M HA 0.412 4.911 4.480 0.031 0.000 0.312 290 M C -1.342 174.868 176.300 -0.150 0.000 0.990 290 M CA -0.749 54.428 55.300 -0.204 0.000 0.927 290 M CB 1.647 34.052 32.600 -0.324 0.000 1.571 290 M HN 0.267 nan 8.290 nan 0.000 0.427 291 V N 5.025 124.852 119.914 -0.145 0.000 2.364 291 V HA 0.184 4.322 4.120 0.031 0.000 0.252 291 V C 0.702 176.721 176.094 -0.125 0.000 1.075 291 V CA -0.241 61.979 62.300 -0.134 0.000 1.033 291 V CB -0.311 31.435 31.823 -0.129 0.000 1.116 291 V HN 0.841 nan 8.190 nan 0.000 0.488 292 A N 5.934 128.675 122.820 -0.131 0.000 2.923 292 A HA 0.357 4.695 4.320 0.031 0.000 0.306 292 A C 1.423 178.945 177.584 -0.103 0.000 1.542 292 A CA -0.431 51.525 52.037 -0.134 0.000 1.225 292 A CB -0.267 18.621 19.000 -0.187 0.000 1.147 292 A HN 0.841 nan 8.150 nan 0.000 0.542 293 R N 1.421 121.878 120.500 -0.073 0.000 2.115 293 R HA -0.076 4.282 4.340 0.031 0.000 0.226 293 R C 2.299 178.581 176.300 -0.029 0.000 1.100 293 R CA 1.120 57.191 56.100 -0.047 0.000 0.980 293 R CB -0.108 30.173 30.300 -0.032 0.000 0.875 293 R HN 0.690 nan 8.270 nan 0.000 0.445 294 G N 1.965 110.750 108.800 -0.025 0.000 2.586 294 G HA2 -0.310 3.669 3.960 0.031 0.000 0.218 294 G HA3 -0.310 3.669 3.960 0.031 0.000 0.218 294 G C 0.996 175.899 174.900 0.006 0.000 1.216 294 G CA 1.319 46.419 45.100 -0.002 0.000 0.786 294 G HN 0.245 nan 8.290 nan 0.000 0.583 295 D N 0.034 120.434 120.400 0.000 0.000 2.144 295 D HA -0.064 4.595 4.640 0.031 0.000 0.200 295 D C 2.498 178.818 176.300 0.034 0.000 0.978 295 D CA 0.583 54.614 54.000 0.052 0.000 0.833 295 D CB -0.170 40.694 40.800 0.107 0.000 0.961 295 D HN 0.162 nan 8.370 nan 0.000 0.470 296 L N 1.411 122.632 121.223 -0.004 0.000 2.043 296 L HA -0.106 4.252 4.340 0.031 0.000 0.212 296 L C 2.232 179.092 176.870 -0.017 0.000 1.075 296 L CA 1.911 56.746 54.840 -0.009 0.000 0.752 296 L CB -0.965 41.073 42.059 -0.035 0.000 0.891 296 L HN 0.024 nan 8.230 nan 0.000 0.432 297 G N -1.514 107.274 108.800 -0.020 0.000 2.679 297 G HA2 -0.085 3.894 3.960 0.031 0.000 0.212 297 G HA3 -0.085 3.894 3.960 0.031 0.000 0.212 297 G C 1.405 176.268 174.900 -0.062 0.000 1.137 297 G CA 0.854 45.938 45.100 -0.027 0.000 0.787 297 G HN 0.518 nan 8.290 nan 0.000 0.534 298 I N -0.821 119.703 120.570 -0.076 0.000 3.300 298 I HA 0.119 4.307 4.170 0.031 0.000 0.279 298 I C 2.282 178.273 176.117 -0.210 0.000 1.172 298 I CA 0.105 61.301 61.300 -0.173 0.000 1.431 298 I CB 0.019 37.951 38.000 -0.112 0.000 1.240 298 I HN -0.069 nan 8.210 nan 0.000 0.453 299 E N 2.046 122.194 120.200 -0.087 0.000 2.047 299 E HA -0.037 4.332 4.350 0.031 0.000 0.191 299 E C 0.977 177.538 176.600 -0.066 0.000 0.987 299 E CA 1.062 57.431 56.400 -0.051 0.000 0.799 299 E CB -0.071 29.652 29.700 0.038 0.000 0.752 299 E HN 0.536 nan 8.360 nan 0.000 0.449 300 I N -1.576 118.966 120.570 -0.047 0.000 2.707 300 I HA 0.429 4.618 4.170 0.031 0.000 0.309 300 I C -2.554 173.521 176.117 -0.070 0.000 1.001 300 I CA -2.919 58.348 61.300 -0.055 0.000 1.129 300 I CB 1.579 39.578 38.000 -0.002 0.000 1.308 300 I HN -0.329 nan 8.210 nan 0.000 0.466 301 P HA 0.010 nan 4.420 nan 0.000 0.264 301 P C 0.306 177.595 177.300 -0.019 0.000 1.183 301 P CA 0.247 63.320 63.100 -0.045 0.000 0.763 301 P CB 0.951 32.635 31.700 -0.027 0.000 0.807 302 A N 4.534 127.346 122.820 -0.013 0.000 1.978 302 A HA -0.197 4.141 4.320 0.031 0.000 0.220 302 A C 1.707 179.326 177.584 0.058 0.000 1.170 302 A CA 1.486 53.530 52.037 0.012 0.000 0.636 302 A CB -0.852 18.152 19.000 0.008 0.000 0.810 302 A HN 0.672 nan 8.150 nan 0.000 0.448 303 E N 0.147 120.387 120.200 0.067 0.000 2.511 303 E HA -0.089 4.279 4.350 0.031 0.000 0.196 303 E C 1.023 177.756 176.600 0.222 0.000 1.066 303 E CA 0.852 57.331 56.400 0.131 0.000 0.871 303 E CB -0.157 29.599 29.700 0.093 0.000 0.863 303 E HN 0.625 nan 8.360 nan 0.000 0.520 304 K N 0.454 120.913 120.400 0.098 0.000 2.355 304 K HA 0.153 4.491 4.320 0.031 0.000 0.198 304 K C 1.827 178.368 176.600 -0.097 0.000 1.039 304 K CA 0.115 56.389 56.287 -0.023 0.000 1.075 304 K CB 0.760 33.231 32.500 -0.049 0.000 0.870 304 K HN -0.070 nan 8.250 nan 0.000 0.540 305 V N 1.998 121.924 119.914 0.021 0.000 2.392 305 V HA -0.274 3.864 4.120 0.031 0.000 0.249 305 V C 2.077 178.156 176.094 -0.024 0.000 1.059 305 V CA 1.970 64.266 62.300 -0.006 0.000 1.051 305 V CB -0.634 31.206 31.823 0.029 0.000 0.658 305 V HN 0.350 nan 8.190 nan 0.000 0.455 306 F N 0.091 120.013 119.950 -0.046 0.000 2.216 306 F HA -0.101 4.443 4.527 0.028 0.000 0.300 306 F C 1.888 177.652 175.800 -0.059 0.000 1.085 306 F CA 1.389 59.359 58.000 -0.050 0.000 1.326 306 F CB -1.129 37.848 39.000 -0.039 0.000 1.027 306 F HN 0.087 nan 8.300 nan 0.000 0.497 307 L N 1.007 121.587 121.223 -1.072 0.000 1.994 307 L HA -0.123 4.235 4.340 0.031 0.000 0.208 307 L C 3.027 179.671 176.870 -0.376 0.000 1.071 307 L CA 1.431 55.805 54.840 -0.776 0.000 0.745 307 L CB -1.291 40.336 42.059 -0.721 0.000 0.892 307 L HN 0.326 nan 8.230 nan 0.000 0.431 308 A N -0.714 121.925 122.820 -0.302 0.000 1.902 308 A HA -0.269 4.070 4.320 0.031 0.000 0.217 308 A C 2.292 179.737 177.584 -0.231 0.000 1.181 308 A CA 1.786 53.681 52.037 -0.236 0.000 0.623 308 A CB -0.632 18.259 19.000 -0.183 0.000 0.818 308 A HN 0.510 nan 8.150 nan 0.000 0.443 309 Q N -0.102 119.594 119.800 -0.173 0.000 2.061 309 Q HA -0.245 4.113 4.340 0.031 0.000 0.204 309 Q C 1.963 177.882 176.000 -0.135 0.000 0.984 309 Q CA 2.126 57.850 55.803 -0.133 0.000 0.846 309 Q CB -0.163 28.542 28.738 -0.054 0.000 0.902 309 Q HN 0.673 nan 8.270 nan 0.000 0.421 310 K N -0.109 120.223 120.400 -0.114 0.000 2.097 310 K HA -0.106 4.232 4.320 0.031 0.000 0.205 310 K C 2.169 178.693 176.600 -0.127 0.000 1.050 310 K CA 1.210 57.444 56.287 -0.090 0.000 0.938 310 K CB -0.177 32.295 32.500 -0.047 0.000 0.718 310 K HN 0.308 nan 8.250 nan 0.000 0.442 311 M N 1.148 120.641 119.600 -0.178 0.000 2.117 311 M HA -0.147 4.351 4.480 0.031 0.000 0.262 311 M C 1.812 177.965 176.300 -0.245 0.000 1.065 311 M CA 1.745 56.931 55.300 -0.189 0.000 1.114 311 M CB -0.234 32.240 32.600 -0.209 0.000 1.361 311 M HN 0.128 nan 8.290 nan 0.000 0.408 312 I N -0.053 120.302 120.570 -0.358 0.000 2.193 312 I HA -0.295 3.893 4.170 0.031 0.000 0.240 312 I C 2.348 178.326 176.117 -0.232 0.000 1.084 312 I CA 0.976 61.958 61.300 -0.530 0.000 1.365 312 I CB -0.361 37.258 38.000 -0.634 0.000 1.064 312 I HN 0.212 nan 8.210 nan 0.000 0.410 313 I N 0.838 121.313 120.570 -0.159 0.000 2.264 313 I HA -0.239 3.949 4.170 0.031 0.000 0.248 313 I C 2.650 178.736 176.117 -0.052 0.000 1.111 313 I CA 1.583 62.833 61.300 -0.083 0.000 1.382 313 I CB -0.934 37.027 38.000 -0.065 0.000 1.060 313 I HN 0.295 nan 8.210 nan 0.000 0.418 314 G N 0.784 109.547 108.800 -0.063 0.000 2.480 314 G HA2 -0.246 3.732 3.960 0.031 0.000 0.216 314 G HA3 -0.246 3.732 3.960 0.031 0.000 0.216 314 G C 1.801 176.695 174.900 -0.010 0.000 1.200 314 G CA 0.539 45.616 45.100 -0.038 0.000 0.782 314 G HN 0.298 nan 8.290 nan 0.000 0.554 315 R N -0.753 119.755 120.500 0.013 0.000 2.148 315 R HA -0.002 4.356 4.340 0.031 0.000 0.227 315 R C 2.569 178.941 176.300 0.120 0.000 1.103 315 R CA 0.998 57.159 56.100 0.102 0.000 0.983 315 R CB -0.406 30.044 30.300 0.249 0.000 0.874 315 R HN 0.411 nan 8.270 nan 0.000 0.451 316 C N 0.062 119.427 119.300 0.108 0.000 2.467 316 C HA 0.050 4.529 4.460 0.031 0.000 0.279 316 C C 2.072 177.066 174.990 0.007 0.000 1.347 316 C CA 0.229 59.288 59.018 0.069 0.000 1.748 316 C CB -1.040 26.737 27.740 0.062 0.000 1.977 316 C HN 0.559 nan 8.230 nan 0.000 0.501 317 N N 0.660 119.357 118.700 -0.006 0.000 2.120 317 N HA -0.176 4.582 4.740 0.031 0.000 0.188 317 N C 2.033 177.512 175.510 -0.051 0.000 1.024 317 N CA 0.872 53.905 53.050 -0.028 0.000 0.852 317 N CB -0.220 38.255 38.487 -0.020 0.000 1.003 317 N HN 0.502 nan 8.380 nan 0.000 0.424 318 R N 0.943 121.425 120.500 -0.029 0.000 2.096 318 R HA -0.029 4.329 4.340 0.031 0.000 0.235 318 R C 1.669 177.944 176.300 -0.041 0.000 1.127 318 R CA 1.326 57.404 56.100 -0.036 0.000 0.968 318 R CB -0.018 30.276 30.300 -0.011 0.000 0.861 318 R HN 0.142 nan 8.270 nan 0.000 0.440 319 A N -0.619 122.187 122.820 -0.023 0.000 2.275 319 A HA 0.248 4.587 4.320 0.031 0.000 0.212 319 A C 1.191 178.764 177.584 -0.018 0.000 1.201 319 A CA 0.529 52.554 52.037 -0.020 0.000 0.843 319 A CB 0.015 19.006 19.000 -0.016 0.000 0.873 319 A HN 0.506 nan 8.150 nan 0.000 0.492 320 G N -0.199 108.581 108.800 -0.034 0.000 2.225 320 G HA2 -0.278 3.700 3.960 0.031 0.000 0.267 320 G HA3 -0.278 3.700 3.960 0.031 0.000 0.267 320 G C 0.078 175.012 174.900 0.056 0.000 1.024 320 G CA 0.851 45.952 45.100 0.002 0.000 0.784 320 G HN 0.584 nan 8.290 nan 0.000 0.507 321 K N 0.280 120.680 120.400 -0.000 0.000 2.207 321 K HA 0.495 4.834 4.320 0.031 0.000 0.255 321 K C -2.542 173.971 176.600 -0.144 0.000 0.941 321 K CA -2.261 53.995 56.287 -0.052 0.000 0.825 321 K CB 1.933 34.407 32.500 -0.042 0.000 1.119 321 K HN -0.064 nan 8.250 nan 0.000 0.430 322 P HA 0.013 nan 4.420 nan 0.000 0.268 322 P C -1.152 176.034 177.300 -0.191 0.000 1.205 322 P CA -0.310 62.566 63.100 -0.373 0.000 0.771 322 P CB 0.780 32.129 31.700 -0.586 0.000 0.858 323 V N 4.909 124.736 119.914 -0.146 0.000 2.789 323 V HA 0.563 4.701 4.120 0.031 0.000 0.311 323 V C -1.046 174.976 176.094 -0.120 0.000 1.073 323 V CA -0.919 61.315 62.300 -0.109 0.000 0.921 323 V CB 1.649 33.431 31.823 -0.067 0.000 1.009 323 V HN 0.287 nan 8.190 nan 0.000 0.426 324 I N 5.732 126.216 120.570 -0.144 0.000 2.436 324 I HA 0.419 4.607 4.170 0.031 0.000 0.289 324 I C -0.275 175.763 176.117 -0.132 0.000 1.010 324 I CA -0.420 60.788 61.300 -0.153 0.000 1.098 324 I CB 1.656 39.503 38.000 -0.256 0.000 1.266 324 I HN 0.616 nan 8.210 nan 0.000 0.434 325 C N 6.227 125.472 119.300 -0.092 0.000 2.435 325 C HA 0.833 5.312 4.460 0.031 0.000 0.375 325 C C 0.545 175.491 174.990 -0.074 0.000 1.281 325 C CA -0.039 58.934 59.018 -0.076 0.000 1.963 325 C CB -0.466 27.246 27.740 -0.046 0.000 2.490 325 C HN 0.876 nan 8.230 nan 0.000 0.557 326 A N 4.455 127.229 122.820 -0.076 0.000 2.454 326 A HA 0.894 5.232 4.320 0.031 0.000 0.302 326 A C -0.200 177.362 177.584 -0.038 0.000 1.079 326 A CA -0.162 51.837 52.037 -0.063 0.000 0.731 326 A CB 1.092 20.034 19.000 -0.097 0.000 1.299 326 A HN 1.349 nan 8.150 nan 0.000 0.413 327 T N 1.489 116.033 114.554 -0.016 0.000 0.862 327 T HA -0.069 4.299 4.350 0.031 0.000 0.744 327 T C -0.034 174.671 174.700 0.008 0.000 0.985 327 T CA 0.616 62.715 62.100 -0.001 0.000 3.926 327 T CB -1.491 67.371 68.868 -0.010 0.000 2.226 327 T HN 1.507 nan 8.240 nan 0.000 0.399 328 Q N 0.113 119.925 119.800 0.019 0.000 2.503 328 Q HA -0.240 4.118 4.340 0.031 0.000 0.267 328 Q C 1.480 177.491 176.000 0.019 0.000 1.030 328 Q CA 1.413 57.230 55.803 0.023 0.000 1.041 328 Q CB -1.161 27.590 28.738 0.023 0.000 1.406 328 Q HN 0.851 nan 8.270 nan 0.000 0.524 329 M N -0.550 119.061 119.600 0.017 0.000 2.132 329 M HA -0.093 4.405 4.480 0.031 0.000 0.263 329 M C 1.252 177.562 176.300 0.017 0.000 1.065 329 M CA 1.507 56.816 55.300 0.014 0.000 1.122 329 M CB 0.151 32.758 32.600 0.012 0.000 1.365 329 M HN 0.251 nan 8.290 nan 0.000 0.411 330 L N -0.601 120.637 121.223 0.024 0.000 3.218 330 L HA 0.163 4.522 4.340 0.031 0.000 0.279 330 L C 1.244 178.133 176.870 0.033 0.000 1.287 330 L CA -0.377 54.479 54.840 0.025 0.000 1.024 330 L CB 0.140 42.217 42.059 0.030 0.000 1.409 330 L HN 0.093 nan 8.230 nan 0.000 0.580 331 E N 1.653 121.872 120.200 0.032 0.000 2.086 331 E HA -0.305 4.063 4.350 0.031 0.000 0.205 331 E C 2.188 178.814 176.600 0.043 0.000 1.027 331 E CA 2.380 58.803 56.400 0.038 0.000 0.830 331 E CB 0.045 29.765 29.700 0.034 0.000 0.751 331 E HN 0.487 nan 8.360 nan 0.000 0.456 332 S N -0.622 115.098 115.700 0.034 0.000 2.465 332 S HA -0.177 4.311 4.470 0.031 0.000 0.241 332 S C 1.752 176.378 174.600 0.045 0.000 1.000 332 S CA 1.336 59.556 58.200 0.034 0.000 0.964 332 S CB -0.411 62.800 63.200 0.018 0.000 0.763 332 S HN 0.355 nan 8.310 nan 0.000 0.512 333 M N 0.525 120.155 119.600 0.049 0.000 2.633 333 M HA 0.288 4.787 4.480 0.031 0.000 0.226 333 M C 1.139 177.535 176.300 0.160 0.000 1.137 333 M CA 0.279 55.623 55.300 0.072 0.000 1.020 333 M CB -0.430 32.198 32.600 0.047 0.000 1.675 333 M HN 0.351 nan 8.290 nan 0.000 0.500 334 I N 0.197 120.842 120.570 0.126 0.000 2.439 334 I HA -0.226 3.962 4.170 0.031 0.000 0.251 334 I C 2.051 178.264 176.117 0.161 0.000 1.139 334 I CA 1.124 62.498 61.300 0.123 0.000 1.438 334 I CB -0.080 37.966 38.000 0.076 0.000 1.085 334 I HN 0.247 nan 8.210 nan 0.000 0.427 335 K N 0.045 120.552 120.400 0.177 0.000 2.450 335 K HA 0.291 4.629 4.320 0.031 0.000 0.206 335 K C 0.113 176.880 176.600 0.277 0.000 1.148 335 K CA 0.141 56.550 56.287 0.204 0.000 1.014 335 K CB 1.005 33.571 32.500 0.109 0.000 0.966 335 K HN 0.161 nan 8.250 nan 0.000 0.566 336 K N 1.899 122.388 120.400 0.148 0.000 2.207 336 K HA 0.233 4.571 4.320 0.031 0.000 0.255 336 K C -2.017 174.335 176.600 -0.413 0.000 0.941 336 K CA -1.993 54.261 56.287 -0.054 0.000 0.825 336 K CB 2.137 34.613 32.500 -0.041 0.000 1.119 336 K HN -0.289 nan 8.250 nan 0.000 0.430 337 P HA -0.125 nan 4.420 nan 0.000 0.222 337 P C -0.298 176.762 177.300 -0.399 0.000 1.147 337 P CA 1.129 63.662 63.100 -0.944 0.000 0.790 337 P CB 0.456 31.778 31.700 -0.631 0.000 0.780 338 R N -0.303 120.055 120.500 -0.237 0.000 2.795 338 R HA 0.498 4.857 4.340 0.031 0.000 0.275 338 R C -2.651 173.604 176.300 -0.075 0.000 0.981 338 R CA -2.442 53.584 56.100 -0.122 0.000 0.917 338 R CB 0.848 31.092 30.300 -0.092 0.000 1.202 338 R HN -0.005 nan 8.270 nan 0.000 0.469 339 P HA 0.139 nan 4.420 nan 0.000 0.278 339 P C -0.097 177.191 177.300 -0.020 0.000 1.266 339 P CA -0.276 62.810 63.100 -0.023 0.000 0.807 339 P CB 0.464 32.157 31.700 -0.011 0.000 1.094 340 T N -1.071 113.476 114.554 -0.012 0.000 2.732 340 T HA 0.225 4.594 4.350 0.031 0.000 0.287 340 T C 1.428 176.120 174.700 -0.012 0.000 0.993 340 T CA -0.559 61.534 62.100 -0.011 0.000 0.966 340 T CB 0.403 69.267 68.868 -0.006 0.000 1.047 340 T HN 0.198 nan 8.240 nan 0.000 0.527 341 R N 0.173 120.665 120.500 -0.013 0.000 2.119 341 R HA 0.161 4.520 4.340 0.031 0.000 0.222 341 R C 2.672 178.963 176.300 -0.015 0.000 1.088 341 R CA 1.214 57.306 56.100 -0.014 0.000 0.984 341 R CB -1.702 28.589 30.300 -0.015 0.000 0.884 341 R HN 0.814 nan 8.270 nan 0.000 0.447 342 A N 1.471 124.283 122.820 -0.014 0.000 1.902 342 A HA -0.176 4.163 4.320 0.031 0.000 0.217 342 A C 2.050 179.627 177.584 -0.011 0.000 1.181 342 A CA 1.438 53.466 52.037 -0.016 0.000 0.623 342 A CB -0.348 18.642 19.000 -0.016 0.000 0.818 342 A HN 0.329 nan 8.150 nan 0.000 0.443 343 E N -0.701 119.495 120.200 -0.007 0.000 2.077 343 E HA -0.114 4.254 4.350 0.031 0.000 0.193 343 E C 2.159 178.758 176.600 -0.002 0.000 0.989 343 E CA 0.842 57.241 56.400 -0.002 0.000 0.800 343 E CB -0.415 29.287 29.700 0.002 0.000 0.746 343 E HN 0.606 nan 8.360 nan 0.000 0.452 344 G N 0.670 109.467 108.800 -0.005 0.000 2.469 344 G HA2 -0.365 3.614 3.960 0.031 0.000 0.219 344 G HA3 -0.365 3.614 3.960 0.031 0.000 0.219 344 G C 1.637 176.533 174.900 -0.006 0.000 1.150 344 G CA 1.213 46.310 45.100 -0.005 0.000 0.763 344 G HN 0.361 nan 8.290 nan 0.000 0.561 345 S N 0.423 116.118 115.700 -0.009 0.000 2.383 345 S HA -0.157 4.331 4.470 0.031 0.000 0.227 345 S C 2.036 176.632 174.600 -0.007 0.000 1.026 345 S CA 1.936 60.130 58.200 -0.010 0.000 0.981 345 S CB -0.407 62.782 63.200 -0.018 0.000 0.818 345 S HN 0.374 nan 8.310 nan 0.000 0.472 346 D N 0.433 120.829 120.400 -0.006 0.000 2.144 346 D HA -0.073 4.585 4.640 0.031 0.000 0.200 346 D C 1.858 178.160 176.300 0.003 0.000 0.978 346 D CA 1.418 55.417 54.000 -0.002 0.000 0.833 346 D CB -0.216 40.584 40.800 -0.001 0.000 0.961 346 D HN 0.341 nan 8.370 nan 0.000 0.470 347 V N 0.694 120.610 119.914 0.004 0.000 2.307 347 V HA -0.146 3.992 4.120 0.031 0.000 0.245 347 V C 2.598 178.697 176.094 0.008 0.000 1.045 347 V CA 1.706 64.010 62.300 0.007 0.000 1.024 347 V CB -0.996 30.832 31.823 0.009 0.000 0.651 347 V HN 0.315 nan 8.190 nan 0.000 0.449 348 A N 0.275 123.098 122.820 0.006 0.000 1.898 348 A HA -0.202 4.136 4.320 0.031 0.000 0.216 348 A C 2.097 179.690 177.584 0.015 0.000 1.181 348 A CA 1.842 53.884 52.037 0.009 0.000 0.620 348 A CB -0.645 18.357 19.000 0.005 0.000 0.819 348 A HN 0.579 nan 8.150 nan 0.000 0.442 349 N N 0.190 118.898 118.700 0.013 0.000 2.309 349 N HA -0.071 4.688 4.740 0.031 0.000 0.182 349 N C 1.864 177.387 175.510 0.022 0.000 1.018 349 N CA 1.211 54.273 53.050 0.020 0.000 0.876 349 N CB -0.267 38.228 38.487 0.014 0.000 0.972 349 N HN 0.493 nan 8.380 nan 0.000 0.434 350 A N 0.752 123.581 122.820 0.015 0.000 1.897 350 A HA -0.037 4.302 4.320 0.031 0.000 0.215 350 A C 2.499 180.090 177.584 0.011 0.000 1.181 350 A CA 0.943 52.986 52.037 0.009 0.000 0.620 350 A CB -0.638 18.363 19.000 0.001 0.000 0.821 350 A HN 0.070 nan 8.150 nan 0.000 0.443 351 V N 0.386 120.310 119.914 0.016 0.000 2.295 351 V HA -0.262 3.876 4.120 0.031 0.000 0.246 351 V C 2.554 178.664 176.094 0.027 0.000 1.049 351 V CA 1.936 64.249 62.300 0.022 0.000 1.024 351 V CB -0.838 30.999 31.823 0.023 0.000 0.648 351 V HN 0.561 nan 8.190 nan 0.000 0.447 352 L N -0.207 121.035 121.223 0.031 0.000 2.131 352 L HA -0.197 4.161 4.340 0.031 0.000 0.210 352 L C 2.358 179.256 176.870 0.047 0.000 1.092 352 L CA 1.454 56.320 54.840 0.044 0.000 0.759 352 L CB -0.786 41.310 42.059 0.062 0.000 0.903 352 L HN 0.350 nan 8.230 nan 0.000 0.435 353 D N 0.081 120.501 120.400 0.034 0.000 2.149 353 D HA -0.119 4.539 4.640 0.031 0.000 0.198 353 D C 1.692 178.002 176.300 0.017 0.000 0.990 353 D CA 1.654 55.668 54.000 0.023 0.000 0.839 353 D CB -0.001 40.804 40.800 0.009 0.000 0.948 353 D HN 0.462 nan 8.370 nan 0.000 0.460 354 G N -0.914 107.896 108.800 0.017 0.000 2.198 354 G HA2 -0.064 3.915 3.960 0.031 0.000 0.156 354 G HA3 -0.064 3.915 3.960 0.031 0.000 0.156 354 G C 0.389 175.293 174.900 0.007 0.000 1.012 354 G CA 0.138 45.248 45.100 0.017 0.000 0.692 354 G HN 0.555 nan 8.290 nan 0.000 0.492 355 A N 0.528 123.346 122.820 -0.002 0.000 2.567 355 A HA 0.429 4.767 4.320 0.031 0.000 0.240 355 A C 1.272 178.854 177.584 -0.002 0.000 1.053 355 A CA 1.177 53.204 52.037 -0.016 0.000 0.755 355 A CB 0.231 19.219 19.000 -0.020 0.000 0.978 355 A HN 0.284 nan 8.150 nan 0.000 0.507 356 D N 0.741 121.131 120.400 -0.018 0.000 2.137 356 D HA 0.011 4.669 4.640 0.031 0.000 0.202 356 D C 0.191 176.498 176.300 0.012 0.000 0.970 356 D CA 1.200 55.200 54.000 -0.000 0.000 0.837 356 D CB 0.129 40.897 40.800 -0.053 0.000 0.981 356 D HN 0.540 nan 8.370 nan 0.000 0.475 357 C N 0.914 120.203 119.300 -0.017 0.000 2.707 357 C HA 0.655 5.133 4.460 0.031 0.000 0.313 357 C C -0.055 174.923 174.990 -0.020 0.000 1.209 357 C CA -1.003 58.011 59.018 -0.006 0.000 1.635 357 C CB 1.959 29.688 27.740 -0.018 0.000 2.206 357 C HN 0.200 nan 8.230 nan 0.000 0.485 358 I N 0.276 120.844 120.570 -0.003 0.000 2.785 358 I HA 0.784 4.973 4.170 0.031 0.000 0.302 358 I C -1.016 175.102 176.117 0.001 0.000 1.069 358 I CA -0.824 60.471 61.300 -0.007 0.000 1.045 358 I CB 1.873 39.878 38.000 0.008 0.000 1.236 358 I HN 0.711 nan 8.210 nan 0.000 0.429 359 M N 4.684 124.282 119.600 -0.004 0.000 2.644 359 M HA 0.639 5.137 4.480 0.031 0.000 0.304 359 M C -2.070 174.245 176.300 0.025 0.000 1.215 359 M CA -0.797 54.509 55.300 0.011 0.000 0.871 359 M CB 2.815 35.408 32.600 -0.012 0.000 1.740 359 M HN 0.648 nan 8.290 nan 0.000 0.464 360 L N 1.516 122.765 121.223 0.043 0.000 2.385 360 L HA 0.493 4.851 4.340 0.031 0.000 0.273 360 L C -0.224 176.683 176.870 0.061 0.000 0.990 360 L CA -0.270 54.599 54.840 0.049 0.000 0.821 360 L CB 2.235 44.326 42.059 0.052 0.000 1.279 360 L HN 0.774 nan 8.230 nan 0.000 0.412 361 S N 1.163 116.899 115.700 0.059 0.000 2.967 361 S HA 0.146 4.634 4.470 0.031 0.000 0.167 361 S C 1.627 176.271 174.600 0.072 0.000 0.696 361 S CA 0.491 58.734 58.200 0.071 0.000 0.874 361 S CB -0.131 63.108 63.200 0.066 0.000 0.718 361 S HN 0.897 nan 8.310 nan 0.000 0.634 362 G N 1.296 110.135 108.800 0.066 0.000 2.475 362 G HA2 -0.223 3.756 3.960 0.031 0.000 0.220 362 G HA3 -0.223 3.756 3.960 0.031 0.000 0.220 362 G C 1.014 175.950 174.900 0.061 0.000 1.125 362 G CA 1.272 46.408 45.100 0.061 0.000 0.755 362 G HN 0.540 nan 8.290 nan 0.000 0.565 363 E N 0.004 120.242 120.200 0.063 0.000 2.153 363 E HA -0.069 4.299 4.350 0.031 0.000 0.194 363 E C 2.677 179.319 176.600 0.070 0.000 0.988 363 E CA 1.694 58.136 56.400 0.070 0.000 0.811 363 E CB -0.206 29.535 29.700 0.067 0.000 0.746 363 E HN 0.626 nan 8.360 nan 0.000 0.466 364 T N -3.254 111.339 114.554 0.065 0.000 2.969 364 T HA 0.414 4.782 4.350 0.031 0.000 0.250 364 T C 1.899 176.636 174.700 0.061 0.000 1.021 364 T CA 0.193 62.331 62.100 0.062 0.000 1.003 364 T CB 0.192 69.096 68.868 0.061 0.000 1.040 364 T HN 0.123 nan 8.240 nan 0.000 0.492 365 A N 3.392 126.253 122.820 0.067 0.000 1.840 365 A HA 0.100 4.438 4.320 0.031 0.000 0.214 365 A C 2.238 179.855 177.584 0.055 0.000 1.198 365 A CA 1.548 53.629 52.037 0.074 0.000 0.608 365 A CB -0.332 18.720 19.000 0.086 0.000 0.839 365 A HN 0.681 nan 8.150 nan 0.000 0.443 366 K N -1.189 119.236 120.400 0.042 0.000 2.402 366 K HA 0.292 4.631 4.320 0.031 0.000 0.203 366 K C 0.888 177.496 176.600 0.013 0.000 1.077 366 K CA 0.356 56.656 56.287 0.022 0.000 1.051 366 K CB -0.020 32.488 32.500 0.013 0.000 0.907 366 K HN 0.281 nan 8.250 nan 0.000 0.554 367 G N 1.290 110.105 108.800 0.025 0.000 2.664 367 G HA2 -0.029 3.950 3.960 0.031 0.000 0.242 367 G HA3 -0.029 3.950 3.960 0.031 0.000 0.242 367 G C -0.284 174.599 174.900 -0.028 0.000 1.225 367 G CA -0.255 44.861 45.100 0.026 0.000 0.849 367 G HN 0.073 nan 8.290 nan 0.000 0.581 368 D N -0.817 119.541 120.400 -0.070 0.000 2.234 368 D HA -0.004 4.654 4.640 0.031 0.000 0.205 368 D C 0.165 176.125 176.300 -0.567 0.000 0.962 368 D CA 1.199 55.001 54.000 -0.330 0.000 0.855 368 D CB 0.100 40.645 40.800 -0.424 0.000 0.951 368 D HN 0.424 nan 8.370 nan 0.000 0.500 369 Y N -0.326 119.986 120.300 0.020 0.000 2.495 369 Y HA 0.241 4.809 4.550 0.031 0.000 0.362 369 Y C -1.651 174.263 175.900 0.023 0.000 0.956 369 Y CA -1.738 56.374 58.100 0.020 0.000 1.127 369 Y CB 1.271 39.742 38.460 0.019 0.000 1.173 369 Y HN -0.065 nan 8.280 nan 0.000 0.639 370 P HA -0.156 nan 4.420 nan 0.000 0.217 370 P C 1.410 178.759 177.300 0.082 0.000 1.150 370 P CA 1.387 64.535 63.100 0.080 0.000 0.832 370 P CB 0.634 32.363 31.700 0.047 0.000 0.787 371 L N -0.579 120.693 121.223 0.083 0.000 2.093 371 L HA -0.128 4.230 4.340 0.031 0.000 0.208 371 L C 2.505 179.423 176.870 0.081 0.000 1.085 371 L CA 1.538 56.421 54.840 0.071 0.000 0.755 371 L CB -0.956 41.142 42.059 0.065 0.000 0.904 371 L HN -0.069 nan 8.230 nan 0.000 0.435 372 E N 0.279 120.549 120.200 0.118 0.000 2.152 372 E HA -0.119 4.249 4.350 0.031 0.000 0.192 372 E C 2.260 178.903 176.600 0.072 0.000 0.983 372 E CA 1.122 57.577 56.400 0.093 0.000 0.818 372 E CB -0.208 29.551 29.700 0.099 0.000 0.758 372 E HN 0.423 nan 8.360 nan 0.000 0.467 373 A N 0.460 123.334 122.820 0.089 0.000 1.873 373 A HA -0.144 4.194 4.320 0.031 0.000 0.215 373 A C 2.430 180.052 177.584 0.063 0.000 1.186 373 A CA 1.326 53.406 52.037 0.071 0.000 0.616 373 A CB -0.725 18.324 19.000 0.081 0.000 0.823 373 A HN 0.148 nan 8.150 nan 0.000 0.442 374 V N -0.117 119.834 119.914 0.062 0.000 2.343 374 V HA -0.267 3.871 4.120 0.031 0.000 0.247 374 V C 2.634 178.768 176.094 0.067 0.000 1.051 374 V CA 2.309 64.641 62.300 0.053 0.000 1.036 374 V CB -0.827 31.017 31.823 0.034 0.000 0.654 374 V HN 0.513 nan 8.190 nan 0.000 0.451 375 R N -1.038 119.500 120.500 0.064 0.000 2.092 375 R HA -0.141 4.218 4.340 0.031 0.000 0.231 375 R C 2.229 178.600 176.300 0.118 0.000 1.119 375 R CA 1.709 57.860 56.100 0.085 0.000 0.970 375 R CB -0.368 29.969 30.300 0.062 0.000 0.864 375 R HN 0.403 nan 8.270 nan 0.000 0.440 376 M N 0.926 120.572 119.600 0.078 0.000 2.099 376 M HA -0.145 4.353 4.480 0.031 0.000 0.262 376 M C 1.857 178.193 176.300 0.059 0.000 1.067 376 M CA 1.754 57.088 55.300 0.057 0.000 1.124 376 M CB -0.190 32.430 32.600 0.033 0.000 1.353 376 M HN 0.026 nan 8.290 nan 0.000 0.410 377 Q N -1.250 118.590 119.800 0.067 0.000 2.112 377 Q HA -0.294 4.065 4.340 0.031 0.000 0.206 377 Q C 2.163 178.214 176.000 0.085 0.000 0.987 377 Q CA 2.236 58.078 55.803 0.064 0.000 0.858 377 Q CB -0.631 28.145 28.738 0.063 0.000 0.905 377 Q HN 0.736 nan 8.270 nan 0.000 0.420 378 H N 0.526 119.610 119.070 0.023 0.000 2.319 378 H HA -0.119 4.456 4.556 0.031 0.000 0.299 378 H C 1.850 177.193 175.328 0.025 0.000 1.092 378 H CA 1.812 57.877 56.048 0.027 0.000 1.302 378 H CB -0.197 29.582 29.762 0.029 0.000 1.373 378 H HN 0.124 nan 8.280 nan 0.000 0.497 379 L N -0.477 120.730 121.223 -0.026 0.000 2.093 379 L HA -0.101 4.258 4.340 0.031 0.000 0.208 379 L C 2.527 179.353 176.870 -0.073 0.000 1.085 379 L CA 1.131 55.922 54.840 -0.081 0.000 0.755 379 L CB -0.324 41.740 42.059 0.008 0.000 0.904 379 L HN 0.316 nan 8.230 nan 0.000 0.435 380 I N 0.068 120.618 120.570 -0.033 0.000 2.252 380 I HA -0.249 3.940 4.170 0.031 0.000 0.245 380 I C 2.848 178.946 176.117 -0.032 0.000 1.102 380 I CA 1.089 62.374 61.300 -0.024 0.000 1.385 380 I CB -0.522 37.475 38.000 -0.004 0.000 1.064 380 I HN 0.178 nan 8.210 nan 0.000 0.414 381 A N 1.112 123.910 122.820 -0.038 0.000 1.908 381 A HA -0.227 4.111 4.320 0.031 0.000 0.218 381 A C 2.409 179.966 177.584 -0.044 0.000 1.181 381 A CA 1.685 53.705 52.037 -0.028 0.000 0.627 381 A CB -0.602 18.390 19.000 -0.014 0.000 0.818 381 A HN 0.352 nan 8.150 nan 0.000 0.445 382 R N -0.738 119.700 120.500 -0.103 0.000 2.092 382 R HA -0.064 4.295 4.340 0.031 0.000 0.231 382 R C 1.999 178.273 176.300 -0.042 0.000 1.119 382 R CA 1.103 57.150 56.100 -0.089 0.000 0.970 382 R CB -0.256 29.953 30.300 -0.152 0.000 0.864 382 R HN 0.505 nan 8.270 nan 0.000 0.440 383 E N 0.994 121.169 120.200 -0.041 0.000 2.051 383 E HA -0.144 4.225 4.350 0.031 0.000 0.192 383 E C 2.020 178.620 176.600 -0.001 0.000 0.991 383 E CA 1.514 57.901 56.400 -0.022 0.000 0.799 383 E CB -0.204 29.481 29.700 -0.025 0.000 0.748 383 E HN 0.317 nan 8.360 nan 0.000 0.449 384 A N 1.099 123.921 122.820 0.004 0.000 1.968 384 A HA -0.163 4.175 4.320 0.031 0.000 0.217 384 A C 2.029 179.637 177.584 0.040 0.000 1.169 384 A CA 1.322 53.371 52.037 0.021 0.000 0.638 384 A CB -0.376 18.634 19.000 0.018 0.000 0.812 384 A HN 0.184 nan 8.150 nan 0.000 0.446 385 E N -0.099 120.129 120.200 0.047 0.000 2.058 385 E HA -0.141 4.227 4.350 0.031 0.000 0.194 385 E C 2.265 178.965 176.600 0.166 0.000 0.997 385 E CA 1.213 57.669 56.400 0.093 0.000 0.801 385 E CB -0.273 29.472 29.700 0.075 0.000 0.746 385 E HN 0.618 nan 8.360 nan 0.000 0.450 386 A N 0.971 123.862 122.820 0.119 0.000 1.969 386 A HA -0.019 4.319 4.320 0.031 0.000 0.218 386 A C 2.249 179.919 177.584 0.143 0.000 1.169 386 A CA 1.416 53.539 52.037 0.143 0.000 0.635 386 A CB -0.408 18.627 19.000 0.058 0.000 0.810 386 A HN 0.278 nan 8.150 nan 0.000 0.445 387 A N -0.955 121.916 122.820 0.085 0.000 2.235 387 A HA 0.339 4.677 4.320 0.031 0.000 0.208 387 A C 1.088 178.777 177.584 0.175 0.000 1.172 387 A CA 0.056 52.143 52.037 0.083 0.000 0.786 387 A CB -0.552 18.467 19.000 0.032 0.000 0.804 387 A HN 0.563 nan 8.150 nan 0.000 0.479 388 M N -1.135 118.494 119.600 0.050 0.000 2.245 388 M HA 0.159 4.658 4.480 0.031 0.000 0.330 388 M C -0.014 176.151 176.300 -0.225 0.000 1.098 388 M CA 0.381 55.591 55.300 -0.150 0.000 1.172 388 M CB 0.311 32.648 32.600 -0.439 0.000 1.467 388 M HN 0.370 nan 8.290 nan 0.000 0.454 389 F N 1.907 121.480 119.950 -0.630 0.000 2.467 389 F HA 0.164 4.711 4.527 0.034 0.000 0.349 389 F C 0.669 176.207 175.800 -0.436 0.000 1.182 389 F CA -0.655 56.837 58.000 -0.847 0.000 1.279 389 F CB 0.001 38.154 39.000 -1.412 0.000 1.626 389 F HN 0.700 nan 8.300 nan 0.000 0.596 390 H N 1.420 120.472 119.070 -0.031 0.000 2.290 390 H HA -0.194 4.379 4.556 0.029 0.000 0.298 390 H C 2.416 177.602 175.328 -0.238 0.000 1.087 390 H CA 2.141 58.124 56.048 -0.108 0.000 1.291 390 H CB -0.065 29.585 29.762 -0.186 0.000 1.369 390 H HN 0.466 nan 8.280 nan 0.000 0.492 391 R N 0.982 121.322 120.500 -0.266 0.000 2.133 391 R HA -0.229 4.130 4.340 0.031 0.000 0.247 391 R C 1.873 178.017 176.300 -0.261 0.000 1.151 391 R CA 2.012 57.941 56.100 -0.286 0.000 0.971 391 R CB -0.041 30.105 30.300 -0.257 0.000 0.866 391 R HN 0.158 nan 8.270 nan 0.000 0.447 392 K N -0.054 119.984 120.400 -0.602 0.000 2.137 392 K HA -0.041 4.297 4.320 0.031 0.000 0.202 392 K C 1.922 178.424 176.600 -0.164 0.000 1.052 392 K CA 0.482 56.473 56.287 -0.493 0.000 0.961 392 K CB -0.194 31.763 32.500 -0.905 0.000 0.741 392 K HN 0.090 nan 8.250 nan 0.000 0.452 393 L N 0.283 121.441 121.223 -0.109 0.000 1.989 393 L HA -0.095 4.263 4.340 0.031 0.000 0.211 393 L C 1.889 178.839 176.870 0.134 0.000 1.071 393 L CA 1.745 56.611 54.840 0.044 0.000 0.749 393 L CB -0.819 41.275 42.059 0.059 0.000 0.890 393 L HN 0.228 nan 8.230 nan 0.000 0.431 394 F N 0.814 120.825 119.950 0.102 0.000 2.091 394 F HA -0.265 4.276 4.527 0.023 0.000 0.299 394 F C 2.377 178.261 175.800 0.140 0.000 1.103 394 F CA 2.270 60.397 58.000 0.212 0.000 1.228 394 F CB -0.348 38.872 39.000 0.366 0.000 0.984 394 F HN 0.281 nan 8.300 nan 0.000 0.477 395 E N -0.249 119.993 120.200 0.070 0.000 2.085 395 E HA -0.238 4.131 4.350 0.031 0.000 0.194 395 E C 2.066 178.619 176.600 -0.079 0.000 0.994 395 E CA 1.680 58.060 56.400 -0.033 0.000 0.801 395 E CB -0.311 29.391 29.700 0.002 0.000 0.743 395 E HN 0.610 nan 8.360 nan 0.000 0.453 396 E N 0.468 120.641 120.200 -0.045 0.000 2.158 396 E HA -0.090 4.278 4.350 0.031 0.000 0.191 396 E C 2.154 178.731 176.600 -0.039 0.000 0.982 396 E CA 0.414 56.794 56.400 -0.034 0.000 0.823 396 E CB 0.058 29.751 29.700 -0.011 0.000 0.766 396 E HN 0.224 nan 8.360 nan 0.000 0.468 397 L N 0.692 121.888 121.223 -0.044 0.000 2.109 397 L HA -0.113 4.245 4.340 0.031 0.000 0.207 397 L C 2.576 179.450 176.870 0.008 0.000 1.086 397 L CA 0.863 55.685 54.840 -0.030 0.000 0.760 397 L CB -0.386 41.655 42.059 -0.030 0.000 0.910 397 L HN 0.121 nan 8.230 nan 0.000 0.437 398 A N 0.179 122.942 122.820 -0.096 0.000 1.883 398 A HA -0.272 4.066 4.320 0.031 0.000 0.217 398 A C 2.442 179.990 177.584 -0.060 0.000 1.186 398 A CA 1.955 53.914 52.037 -0.129 0.000 0.624 398 A CB -0.640 18.158 19.000 -0.336 0.000 0.822 398 A HN 0.344 nan 8.150 nan 0.000 0.444 399 R N -0.444 120.020 120.500 -0.060 0.000 2.091 399 R HA -0.128 4.230 4.340 0.031 0.000 0.238 399 R C 2.222 178.510 176.300 -0.020 0.000 1.136 399 R CA 1.503 57.582 56.100 -0.035 0.000 0.959 399 R CB -0.379 29.902 30.300 -0.031 0.000 0.856 399 R HN 0.458 nan 8.270 nan 0.000 0.437 400 A N 0.111 122.921 122.820 -0.016 0.000 1.968 400 A HA -0.099 4.239 4.320 0.031 0.000 0.217 400 A C 1.992 179.576 177.584 -0.000 0.000 1.169 400 A CA 1.565 53.595 52.037 -0.011 0.000 0.638 400 A CB -0.256 18.735 19.000 -0.015 0.000 0.812 400 A HN 0.559 nan 8.150 nan 0.000 0.446 401 S N -0.148 115.562 115.700 0.017 0.000 2.548 401 S HA -0.025 4.463 4.470 0.031 0.000 0.215 401 S C 1.684 176.297 174.600 0.022 0.000 0.976 401 S CA 0.846 59.069 58.200 0.038 0.000 0.908 401 S CB -0.550 62.718 63.200 0.114 0.000 0.781 401 S HN 0.765 nan 8.310 nan 0.000 0.519 402 S N 2.398 118.100 115.700 0.002 0.000 2.493 402 S HA -0.202 4.286 4.470 0.031 0.000 0.243 402 S C 1.966 176.561 174.600 -0.009 0.000 0.991 402 S CA 0.944 59.137 58.200 -0.011 0.000 0.957 402 S CB -0.660 62.528 63.200 -0.020 0.000 0.756 402 S HN 0.769 nan 8.310 nan 0.000 0.521 403 Q N 1.569 121.367 119.800 -0.005 0.000 2.369 403 Q HA 0.159 4.517 4.340 0.031 0.000 0.206 403 Q C 0.678 176.674 176.000 -0.006 0.000 0.963 403 Q CA 0.735 56.534 55.803 -0.006 0.000 0.894 403 Q CB -0.642 28.093 28.738 -0.006 0.000 0.965 403 Q HN 0.471 nan 8.270 nan 0.000 0.475 404 S N 1.181 116.881 115.700 -0.000 0.000 2.513 404 S HA 0.286 4.774 4.470 0.031 0.000 0.276 404 S C 0.463 175.057 174.600 -0.011 0.000 1.254 404 S CA -0.003 58.196 58.200 -0.002 0.000 1.053 404 S CB 0.983 64.192 63.200 0.015 0.000 0.958 404 S HN 0.461 nan 8.310 nan 0.000 0.491 405 T N 0.892 115.433 114.554 -0.021 0.000 3.129 405 T HA 0.218 4.586 4.350 0.031 0.000 0.267 405 T C 0.109 174.781 174.700 -0.047 0.000 1.018 405 T CA -0.466 61.615 62.100 -0.030 0.000 0.903 405 T CB -0.425 68.426 68.868 -0.027 0.000 1.067 405 T HN 0.636 nan 8.240 nan 0.000 0.549 406 D N 1.128 121.497 120.400 -0.052 0.000 2.571 406 D HA 0.022 4.680 4.640 0.031 0.000 0.231 406 D C 1.315 177.535 176.300 -0.134 0.000 1.133 406 D CA 0.011 53.956 54.000 -0.092 0.000 0.862 406 D CB 0.520 41.278 40.800 -0.071 0.000 1.179 406 D HN 0.169 nan 8.370 nan 0.000 0.474 407 L N 3.051 124.128 121.223 -0.243 0.000 2.056 407 L HA -0.142 4.217 4.340 0.031 0.000 0.207 407 L C 2.257 178.957 176.870 -0.284 0.000 1.078 407 L CA 0.727 55.393 54.840 -0.290 0.000 0.749 407 L CB -0.470 41.334 42.059 -0.426 0.000 0.901 407 L HN 0.621 nan 8.230 nan 0.000 0.433 408 M N 0.331 119.676 119.600 -0.425 0.000 2.159 408 M HA -0.174 4.324 4.480 0.031 0.000 0.263 408 M C 2.009 178.314 176.300 0.008 0.000 1.063 408 M CA 1.724 56.947 55.300 -0.128 0.000 1.110 408 M CB -0.348 32.194 32.600 -0.097 0.000 1.374 408 M HN 0.120 nan 8.290 nan 0.000 0.411 409 E N -0.358 119.840 120.200 -0.003 0.000 2.077 409 E HA -0.180 4.188 4.350 0.031 0.000 0.193 409 E C 2.011 178.578 176.600 -0.055 0.000 0.989 409 E CA 1.250 57.680 56.400 0.050 0.000 0.800 409 E CB -0.364 29.386 29.700 0.084 0.000 0.746 409 E HN 0.649 nan 8.360 nan 0.000 0.452 410 A N 1.426 124.216 122.820 -0.051 0.000 1.865 410 A HA -0.229 4.109 4.320 0.031 0.000 0.217 410 A C 2.178 179.755 177.584 -0.011 0.000 1.191 410 A CA 1.553 53.563 52.037 -0.045 0.000 0.623 410 A CB -0.387 18.598 19.000 -0.025 0.000 0.826 410 A HN 0.125 nan 8.150 nan 0.000 0.444 411 M N -0.436 119.190 119.600 0.042 0.000 2.117 411 M HA -0.134 4.364 4.480 0.031 0.000 0.262 411 M C 2.541 178.868 176.300 0.045 0.000 1.065 411 M CA 1.647 56.993 55.300 0.076 0.000 1.114 411 M CB -1.678 31.025 32.600 0.171 0.000 1.361 411 M HN 0.502 nan 8.290 nan 0.000 0.408 412 A N 0.188 123.039 122.820 0.051 0.000 1.865 412 A HA -0.188 4.150 4.320 0.031 0.000 0.217 412 A C 2.272 179.853 177.584 -0.006 0.000 1.191 412 A CA 1.922 54.001 52.037 0.069 0.000 0.623 412 A CB -0.681 18.427 19.000 0.180 0.000 0.826 412 A HN 0.484 nan 8.150 nan 0.000 0.444 413 M N -0.575 118.936 119.600 -0.147 0.000 2.149 413 M HA -0.128 4.371 4.480 0.031 0.000 0.261 413 M C 2.254 178.561 176.300 0.012 0.000 1.064 413 M CA 1.466 56.716 55.300 -0.084 0.000 1.102 413 M CB -0.555 31.897 32.600 -0.247 0.000 1.369 413 M HN 0.534 nan 8.290 nan 0.000 0.408 414 G N -0.833 107.952 108.800 -0.025 0.000 2.408 414 G HA2 -0.156 3.822 3.960 0.031 0.000 0.217 414 G HA3 -0.156 3.822 3.960 0.031 0.000 0.217 414 G C 1.577 176.430 174.900 -0.077 0.000 1.150 414 G CA 1.056 46.135 45.100 -0.035 0.000 0.776 414 G HN 0.444 nan 8.290 nan 0.000 0.542 415 S N 0.007 115.665 115.700 -0.069 0.000 2.371 415 S HA -0.059 4.430 4.470 0.031 0.000 0.224 415 S C 2.488 176.974 174.600 -0.191 0.000 1.029 415 S CA 0.977 59.124 58.200 -0.089 0.000 0.978 415 S CB -0.177 63.002 63.200 -0.035 0.000 0.833 415 S HN 0.171 nan 8.310 nan 0.000 0.466 416 V N 1.934 121.697 119.914 -0.251 0.000 2.307 416 V HA -0.155 3.984 4.120 0.031 0.000 0.245 416 V C 2.593 178.131 176.094 -0.926 0.000 1.045 416 V CA 2.002 63.984 62.300 -0.529 0.000 1.024 416 V CB -0.701 30.885 31.823 -0.396 0.000 0.651 416 V HN 0.384 nan 8.190 nan 0.000 0.449 417 E N 1.071 120.818 120.200 -0.756 0.000 2.049 417 E HA -0.245 4.123 4.350 0.031 0.000 0.198 417 E C 2.130 178.546 176.600 -0.307 0.000 1.007 417 E CA 2.042 58.101 56.400 -0.569 0.000 0.809 417 E CB -0.622 28.912 29.700 -0.276 0.000 0.749 417 E HN 0.498 nan 8.360 nan 0.000 0.450 418 A N 0.163 122.851 122.820 -0.221 0.000 1.933 418 A HA -0.200 4.139 4.320 0.031 0.000 0.218 418 A C 2.395 179.900 177.584 -0.132 0.000 1.175 418 A CA 2.420 54.378 52.037 -0.131 0.000 0.628 418 A CB -1.043 17.901 19.000 -0.094 0.000 0.814 418 A HN 0.451 nan 8.150 nan 0.000 0.444 419 S N -1.491 114.082 115.700 -0.212 0.000 2.423 419 S HA -0.167 4.321 4.470 0.031 0.000 0.231 419 S C 1.854 176.400 174.600 -0.090 0.000 1.014 419 S CA 1.337 59.434 58.200 -0.172 0.000 0.965 419 S CB -0.695 62.378 63.200 -0.211 0.000 0.785 419 S HN 0.509 nan 8.310 nan 0.000 0.495 420 Y N 2.040 122.251 120.300 -0.149 0.000 2.200 420 Y HA 0.177 4.748 4.550 0.035 0.000 0.290 420 Y C 2.629 178.476 175.900 -0.088 0.000 1.137 420 Y CA 0.841 58.859 58.100 -0.138 0.000 1.163 420 Y CB -0.955 37.395 38.460 -0.183 0.000 0.988 420 Y HN 0.246 nan 8.280 nan 0.000 0.518 421 K N 0.812 121.263 120.400 0.084 0.000 2.002 421 K HA -0.125 4.213 4.320 0.031 0.000 0.209 421 K C 1.999 178.613 176.600 0.023 0.000 1.048 421 K CA 1.902 58.213 56.287 0.040 0.000 0.930 421 K CB -0.885 31.623 32.500 0.012 0.000 0.714 421 K HN 0.439 nan 8.250 nan 0.000 0.438 422 C N 0.428 119.731 119.300 0.004 0.000 2.673 422 C HA 0.451 4.929 4.460 0.031 0.000 0.274 422 C C 0.391 175.384 174.990 0.005 0.000 1.276 422 C CA -0.818 58.200 59.018 -0.001 0.000 1.701 422 C CB -1.651 26.079 27.740 -0.016 0.000 1.836 422 C HN 0.458 nan 8.230 nan 0.000 0.596 423 L N 0.497 121.732 121.223 0.019 0.000 3.823 423 L HA -0.212 4.147 4.340 0.031 0.000 0.525 423 L C 0.947 177.822 176.870 0.008 0.000 1.247 423 L CA 0.408 55.263 54.840 0.025 0.000 0.776 423 L CB -2.387 39.694 42.059 0.036 0.000 1.443 423 L HN 0.637 nan 8.230 nan 0.000 0.831 424 A N 0.647 123.459 122.820 -0.012 0.000 2.483 424 A HA 0.537 4.876 4.320 0.031 0.000 0.238 424 A C 1.418 179.002 177.584 0.000 0.000 1.070 424 A CA 0.566 52.587 52.037 -0.026 0.000 0.770 424 A CB 0.757 19.726 19.000 -0.051 0.000 1.008 424 A HN 0.806 nan 8.150 nan 0.000 0.497 425 A N 1.428 124.258 122.820 0.016 0.000 2.119 425 A HA 0.501 4.840 4.320 0.031 0.000 0.216 425 A C 1.054 178.738 177.584 0.167 0.000 1.152 425 A CA 1.565 53.671 52.037 0.114 0.000 0.708 425 A CB -0.383 18.745 19.000 0.213 0.000 0.805 425 A HN 2.395 nan 8.150 nan 0.000 0.460 426 A N -1.673 121.201 122.820 0.091 0.000 2.597 426 A HA 0.590 4.928 4.320 0.031 0.000 0.292 426 A C -1.732 175.876 177.584 0.041 0.000 1.057 426 A CA -0.622 51.486 52.037 0.119 0.000 0.674 426 A CB 0.297 19.514 19.000 0.361 0.000 1.278 426 A HN 0.268 nan 8.150 nan 0.000 0.416 427 L N 1.652 122.905 121.223 0.050 0.000 2.280 427 L HA 0.537 4.895 4.340 0.031 0.000 0.287 427 L C -0.410 176.506 176.870 0.076 0.000 1.023 427 L CA 0.002 54.863 54.840 0.035 0.000 0.819 427 L CB 1.248 43.318 42.059 0.017 0.000 1.212 427 L HN 0.574 nan 8.230 nan 0.000 0.420 428 I N 3.832 124.441 120.570 0.064 0.000 2.395 428 I HA 0.357 4.545 4.170 0.031 0.000 0.289 428 I C -0.432 175.716 176.117 0.053 0.000 1.023 428 I CA -0.498 60.849 61.300 0.079 0.000 1.350 428 I CB 1.178 39.219 38.000 0.068 0.000 1.409 428 I HN 0.212 nan 8.210 nan 0.000 0.507 429 V N 7.348 127.295 119.914 0.056 0.000 2.525 429 V HA 0.324 4.462 4.120 0.031 0.000 0.299 429 V C -0.424 175.685 176.094 0.024 0.000 1.034 429 V CA -0.616 61.706 62.300 0.037 0.000 0.863 429 V CB 1.844 33.687 31.823 0.033 0.000 0.999 429 V HN 0.354 nan 8.190 nan 0.000 0.423 430 L N 4.187 125.421 121.223 0.018 0.000 2.264 430 L HA 0.789 5.147 4.340 0.031 0.000 0.289 430 L C 0.262 177.144 176.870 0.019 0.000 1.044 430 L CA 0.750 55.594 54.840 0.007 0.000 0.807 430 L CB 1.449 43.500 42.059 -0.014 0.000 1.192 430 L HN 0.848 nan 8.230 nan 0.000 0.425 431 T N 1.582 116.140 114.554 0.007 0.000 3.012 431 T HA 0.397 4.765 4.350 0.031 0.000 0.330 431 T C 0.192 174.891 174.700 -0.002 0.000 1.321 431 T CA -0.417 61.681 62.100 -0.004 0.000 1.067 431 T CB 1.174 70.006 68.868 -0.061 0.000 1.235 431 T HN 0.588 nan 8.240 nan 0.000 0.479 432 E N 1.367 121.574 120.200 0.012 0.000 2.228 432 E HA 0.084 4.452 4.350 0.031 0.000 0.197 432 E C 2.171 178.776 176.600 0.008 0.000 0.909 432 E CA 1.254 57.667 56.400 0.023 0.000 0.911 432 E CB -0.132 29.597 29.700 0.049 0.000 0.887 432 E HN 0.685 nan 8.360 nan 0.000 0.481 433 S N -0.872 114.826 115.700 -0.004 0.000 2.446 433 S HA 0.177 4.666 4.470 0.031 0.000 0.225 433 S C 1.685 176.242 174.600 -0.071 0.000 1.016 433 S CA 1.062 59.261 58.200 -0.002 0.000 0.943 433 S CB 0.497 63.708 63.200 0.019 0.000 0.786 433 S HN 0.307 nan 8.310 nan 0.000 0.508 434 G N 1.772 110.446 108.800 -0.210 0.000 2.238 434 G HA2 -0.250 3.728 3.960 0.031 0.000 0.217 434 G HA3 -0.250 3.728 3.960 0.031 0.000 0.217 434 G C 1.097 175.391 174.900 -1.011 0.000 0.996 434 G CA 0.139 44.878 45.100 -0.601 0.000 0.632 434 G HN 0.318 nan 8.290 nan 0.000 0.503 435 R N 1.422 121.649 120.500 -0.455 0.000 2.096 435 R HA -0.075 4.283 4.340 0.031 0.000 0.240 435 R C 2.601 178.809 176.300 -0.152 0.000 1.139 435 R CA 1.970 57.950 56.100 -0.199 0.000 0.952 435 R CB -1.240 29.058 30.300 -0.003 0.000 0.854 435 R HN 0.490 nan 8.270 nan 0.000 0.436 436 S N 1.096 116.734 115.700 -0.103 0.000 2.356 436 S HA -0.102 4.386 4.470 0.031 0.000 0.223 436 S C 2.147 176.725 174.600 -0.037 0.000 1.032 436 S CA 1.252 59.449 58.200 -0.004 0.000 1.005 436 S CB -0.320 62.911 63.200 0.052 0.000 0.867 436 S HN 0.521 nan 8.310 nan 0.000 0.449 437 A N 1.783 124.522 122.820 -0.135 0.000 1.865 437 A HA -0.206 4.132 4.320 0.031 0.000 0.217 437 A C 1.702 179.238 177.584 -0.079 0.000 1.191 437 A CA 1.908 53.881 52.037 -0.107 0.000 0.623 437 A CB -1.286 17.622 19.000 -0.152 0.000 0.826 437 A HN 0.698 nan 8.150 nan 0.000 0.444 438 H N -1.030 117.894 119.070 -0.244 0.000 2.357 438 H HA -0.177 4.397 4.556 0.030 0.000 0.296 438 H C 2.224 177.500 175.328 -0.088 0.000 1.108 438 H CA 1.287 57.092 56.048 -0.405 0.000 1.273 438 H CB 0.061 29.499 29.762 -0.539 0.000 1.367 438 H HN 0.418 nan 8.280 nan 0.000 0.498 439 Q N 0.381 120.248 119.800 0.112 0.000 2.245 439 Q HA -0.051 4.308 4.340 0.031 0.000 0.201 439 Q C 2.633 178.775 176.000 0.237 0.000 0.955 439 Q CA 0.527 56.429 55.803 0.165 0.000 0.870 439 Q CB -0.012 28.820 28.738 0.157 0.000 0.945 439 Q HN 0.372 nan 8.270 nan 0.000 0.461 440 V N 1.030 121.050 119.914 0.177 0.000 2.323 440 V HA -0.205 3.933 4.120 0.031 0.000 0.244 440 V C 2.397 178.613 176.094 0.203 0.000 1.041 440 V CA 1.631 64.047 62.300 0.194 0.000 1.025 440 V CB -1.167 30.724 31.823 0.114 0.000 0.656 440 V HN 0.280 nan 8.190 nan 0.000 0.451 441 A N 0.319 123.236 122.820 0.162 0.000 1.873 441 A HA -0.342 3.997 4.320 0.031 0.000 0.218 441 A C 2.375 180.061 177.584 0.169 0.000 1.193 441 A CA 2.485 54.629 52.037 0.179 0.000 0.629 441 A CB -0.780 18.351 19.000 0.218 0.000 0.826 441 A HN 0.483 nan 8.150 nan 0.000 0.447 442 R N -1.931 118.642 120.500 0.122 0.000 2.178 442 R HA -0.250 4.109 4.340 0.031 0.000 0.257 442 R C 1.123 177.315 176.300 -0.181 0.000 1.163 442 R CA 2.339 58.402 56.100 -0.061 0.000 0.981 442 R CB -0.387 29.803 30.300 -0.183 0.000 0.878 442 R HN 0.637 nan 8.270 nan 0.000 0.454 443 Y N 0.148 120.558 120.300 0.182 0.000 2.468 443 Y HA 0.253 4.818 4.550 0.026 0.000 0.268 443 Y C 0.059 176.171 175.900 0.352 0.000 1.177 443 Y CA -0.235 58.025 58.100 0.266 0.000 1.265 443 Y CB 0.541 39.202 38.460 0.335 0.000 1.103 443 Y HN -0.042 nan 8.280 nan 0.000 0.522 444 R N -0.273 120.430 120.500 0.338 0.000 3.152 444 R HA -0.143 4.216 4.340 0.031 0.000 0.252 444 R C -3.006 173.532 176.300 0.396 0.000 0.930 444 R CA 0.186 56.489 56.100 0.340 0.000 0.642 444 R CB -2.077 28.423 30.300 0.333 0.000 1.205 444 R HN 0.280 nan 8.270 nan 0.000 0.452 445 P HA 0.057 nan 4.420 nan 0.000 0.274 445 P C 0.598 177.956 177.300 0.097 0.000 1.246 445 P CA -0.306 62.833 63.100 0.066 0.000 0.795 445 P CB 0.431 32.082 31.700 -0.080 0.000 1.006 446 R N 0.431 120.898 120.500 -0.055 0.000 2.189 446 R HA 0.318 4.677 4.340 0.031 0.000 0.203 446 R C 0.938 177.201 176.300 -0.061 0.000 1.012 446 R CA 0.018 56.015 56.100 -0.171 0.000 1.015 446 R CB -0.628 29.384 30.300 -0.480 0.000 0.938 446 R HN 0.392 nan 8.270 nan 0.000 0.472 447 A N 3.327 126.116 122.820 -0.052 0.000 2.425 447 A HA 0.328 4.667 4.320 0.031 0.000 0.242 447 A C -2.136 175.415 177.584 -0.054 0.000 1.077 447 A CA -1.495 50.512 52.037 -0.049 0.000 0.781 447 A CB -0.098 18.884 19.000 -0.030 0.000 1.020 447 A HN 0.232 nan 8.150 nan 0.000 0.494 448 P HA 0.271 nan 4.420 nan 0.000 0.275 448 P C -0.846 176.457 177.300 0.005 0.000 1.228 448 P CA 0.137 63.161 63.100 -0.126 0.000 0.786 448 P CB 0.540 31.983 31.700 -0.428 0.000 0.927 449 I N 3.363 123.975 120.570 0.069 0.000 2.310 449 I HA 0.275 4.464 4.170 0.031 0.000 0.287 449 I C 0.601 176.830 176.117 0.187 0.000 1.073 449 I CA -0.567 60.801 61.300 0.114 0.000 1.216 449 I CB 0.073 38.138 38.000 0.107 0.000 1.415 449 I HN 0.093 nan 8.210 nan 0.000 0.480 450 I N 5.921 126.621 120.570 0.216 0.000 2.329 450 I HA 0.264 4.452 4.170 0.031 0.000 0.295 450 I C 0.804 177.031 176.117 0.183 0.000 1.109 450 I CA -0.022 61.455 61.300 0.294 0.000 1.297 450 I CB 0.462 38.670 38.000 0.347 0.000 1.433 450 I HN 0.567 nan 8.210 nan 0.000 0.509 451 A N 7.114 130.018 122.820 0.141 0.000 2.276 451 A HA 0.628 4.966 4.320 0.031 0.000 0.300 451 A C -0.237 177.372 177.584 0.042 0.000 1.235 451 A CA -0.414 51.660 52.037 0.062 0.000 0.867 451 A CB 0.649 19.660 19.000 0.017 0.000 1.137 451 A HN 0.476 nan 8.150 nan 0.000 0.527 452 V N 2.491 122.423 119.914 0.030 0.000 2.398 452 V HA 0.712 4.850 4.120 0.031 0.000 0.286 452 V C 0.413 176.505 176.094 -0.005 0.000 1.026 452 V CA -0.183 62.126 62.300 0.014 0.000 0.868 452 V CB 1.358 33.192 31.823 0.018 0.000 0.982 452 V HN 0.981 nan 8.190 nan 0.000 0.443 453 T N 3.891 118.438 114.554 -0.012 0.000 2.916 453 T HA 0.433 4.802 4.350 0.031 0.000 0.305 453 T C 0.500 175.201 174.700 0.001 0.000 1.119 453 T CA -0.568 61.529 62.100 -0.006 0.000 1.008 453 T CB 1.847 70.707 68.868 -0.013 0.000 1.129 453 T HN 0.652 nan 8.240 nan 0.000 0.480 454 R N 1.491 122.010 120.500 0.032 0.000 2.254 454 R HA 0.209 4.568 4.340 0.031 0.000 0.195 454 R C 0.610 176.997 176.300 0.146 0.000 0.957 454 R CA -0.141 56.002 56.100 0.071 0.000 1.024 454 R CB 0.206 30.547 30.300 0.068 0.000 0.952 454 R HN 0.395 nan 8.270 nan 0.000 0.484 455 N N 1.315 120.078 118.700 0.106 0.000 2.402 455 N HA -0.030 4.729 4.740 0.031 0.000 0.252 455 N C 0.479 176.082 175.510 0.154 0.000 1.118 455 N CA 0.347 53.476 53.050 0.132 0.000 0.945 455 N CB 0.446 38.980 38.487 0.078 0.000 1.147 455 N HN 0.300 nan 8.380 nan 0.000 0.495 456 H N 1.753 120.839 119.070 0.027 0.000 2.387 456 H HA -0.159 4.415 4.556 0.031 0.000 0.299 456 H C 1.354 176.706 175.328 0.040 0.000 1.099 456 H CA 1.272 57.343 56.048 0.039 0.000 1.315 456 H CB 0.585 30.371 29.762 0.039 0.000 1.380 456 H HN 0.677 nan 8.280 nan 0.000 0.513 457 Q N 0.423 120.320 119.800 0.162 0.000 2.083 457 Q HA -0.107 4.251 4.340 0.031 0.000 0.198 457 Q C 1.976 178.026 176.000 0.084 0.000 0.969 457 Q CA 1.411 57.276 55.803 0.104 0.000 0.838 457 Q CB 0.241 29.028 28.738 0.081 0.000 0.900 457 Q HN 0.310 nan 8.270 nan 0.000 0.436 458 T N 0.806 115.407 114.554 0.078 0.000 2.720 458 T HA -0.185 4.184 4.350 0.031 0.000 0.268 458 T C 1.749 176.468 174.700 0.033 0.000 1.037 458 T CA 1.300 63.440 62.100 0.067 0.000 1.144 458 T CB -0.350 68.542 68.868 0.041 0.000 0.864 458 T HN 0.458 nan 8.240 nan 0.000 0.444 459 A N 1.794 124.611 122.820 -0.005 0.000 1.877 459 A HA -0.136 4.202 4.320 0.031 0.000 0.216 459 A C 2.392 179.893 177.584 -0.140 0.000 1.186 459 A CA 1.444 53.431 52.037 -0.084 0.000 0.620 459 A CB -0.462 18.482 19.000 -0.093 0.000 0.822 459 A HN 0.434 nan 8.150 nan 0.000 0.443 460 R N -0.759 119.722 120.500 -0.032 0.000 2.090 460 R HA -0.081 4.277 4.340 0.031 0.000 0.228 460 R C 2.325 178.657 176.300 0.053 0.000 1.110 460 R CA 1.411 57.521 56.100 0.018 0.000 0.973 460 R CB -0.279 30.073 30.300 0.087 0.000 0.869 460 R HN 0.670 nan 8.270 nan 0.000 0.440 461 Q N 0.110 119.956 119.800 0.077 0.000 2.297 461 Q HA 0.007 4.365 4.340 0.031 0.000 0.204 461 Q C 2.025 178.147 176.000 0.204 0.000 0.962 461 Q CA 0.997 56.886 55.803 0.145 0.000 0.879 461 Q CB 0.064 28.900 28.738 0.163 0.000 0.947 461 Q HN 0.327 nan 8.270 nan 0.000 0.462 462 A N 0.660 123.554 122.820 0.124 0.000 2.070 462 A HA -0.207 4.132 4.320 0.031 0.000 0.220 462 A C 1.419 179.118 177.584 0.192 0.000 1.159 462 A CA 1.123 53.264 52.037 0.174 0.000 0.656 462 A CB -0.551 18.451 19.000 0.002 0.000 0.800 462 A HN 0.359 nan 8.150 nan 0.000 0.453 463 H N -0.334 118.839 119.070 0.171 0.000 2.489 463 H HA -0.019 4.555 4.556 0.030 0.000 0.293 463 H C 1.711 177.112 175.328 0.122 0.000 1.066 463 H CA 1.174 57.299 56.048 0.128 0.000 1.305 463 H CB -0.255 29.552 29.762 0.076 0.000 1.386 463 H HN 0.462 nan 8.280 nan 0.000 0.551 464 L N -0.134 121.220 121.223 0.218 0.000 2.456 464 L HA -0.110 4.249 4.340 0.031 0.000 0.224 464 L C -0.046 176.721 176.870 -0.172 0.000 1.148 464 L CA 0.587 55.422 54.840 -0.010 0.000 0.825 464 L CB -0.124 41.848 42.059 -0.146 0.000 0.937 464 L HN 0.133 nan 8.230 nan 0.000 0.450 465 Y N -0.715 119.625 120.300 0.068 0.000 2.328 465 Y HA 0.379 4.947 4.550 0.029 0.000 0.333 465 Y C 0.490 176.447 175.900 0.095 0.000 0.958 465 Y CA -1.399 56.738 58.100 0.061 0.000 1.167 465 Y CB 0.882 39.385 38.460 0.072 0.000 1.151 465 Y HN -0.125 nan 8.280 nan 0.000 0.470 466 R N 2.005 122.618 120.500 0.189 0.000 2.504 466 R HA 0.140 4.499 4.340 0.031 0.000 0.302 466 R C 1.204 177.616 176.300 0.187 0.000 0.893 466 R CA 1.622 57.820 56.100 0.164 0.000 1.138 466 R CB -0.632 29.745 30.300 0.128 0.000 0.880 466 R HN 1.013 nan 8.270 nan 0.000 0.415 467 G N 3.752 112.654 108.800 0.171 0.000 2.268 467 G HA2 -0.296 3.682 3.960 0.031 0.000 0.240 467 G HA3 -0.296 3.682 3.960 0.031 0.000 0.240 467 G C 0.287 175.293 174.900 0.177 0.000 1.010 467 G CA 0.089 45.278 45.100 0.147 0.000 0.618 467 G HN 0.592 nan 8.290 nan 0.000 0.516 468 I N 1.213 121.909 120.570 0.211 0.000 2.505 468 I HA 0.350 4.538 4.170 0.031 0.000 0.287 468 I C 0.103 176.371 176.117 0.253 0.000 1.104 468 I CA -0.213 61.209 61.300 0.204 0.000 1.387 468 I CB 0.474 38.576 38.000 0.169 0.000 1.404 468 I HN 0.140 nan 8.210 nan 0.000 0.528 469 F N 9.999 130.007 119.950 0.096 0.000 2.300 469 F HA 0.419 4.965 4.527 0.030 0.000 0.364 469 F C -1.976 173.871 175.800 0.078 0.000 1.090 469 F CA -2.523 55.552 58.000 0.126 0.000 1.200 469 F CB 0.499 39.613 39.000 0.189 0.000 1.493 469 F HN 0.284 nan 8.300 nan 0.000 0.518 470 P HA 0.034 nan 4.420 nan 0.000 0.269 470 P C -1.005 176.155 177.300 -0.234 0.000 1.209 470 P CA 0.149 63.123 63.100 -0.209 0.000 0.776 470 P CB 1.875 33.376 31.700 -0.333 0.000 0.876 471 V N 3.755 123.611 119.914 -0.098 0.000 2.567 471 V HA 0.092 4.230 4.120 0.031 0.000 0.298 471 V C 0.181 176.252 176.094 -0.038 0.000 1.047 471 V CA -0.847 61.423 62.300 -0.051 0.000 0.880 471 V CB 2.234 34.079 31.823 0.037 0.000 1.009 471 V HN 0.253 nan 8.190 nan 0.000 0.429 472 V N 3.952 123.844 119.914 -0.036 0.000 2.521 472 V HA 0.087 4.226 4.120 0.031 0.000 0.286 472 V C 0.563 176.621 176.094 -0.060 0.000 1.034 472 V CA -0.083 62.156 62.300 -0.102 0.000 1.045 472 V CB 1.092 32.789 31.823 -0.210 0.000 0.974 472 V HN 1.017 nan 8.190 nan 0.000 0.480 473 C N 6.985 126.256 119.300 -0.048 0.000 2.246 473 C HA 0.377 4.856 4.460 0.031 0.000 0.329 473 C C 1.397 176.389 174.990 0.003 0.000 1.221 473 C CA -0.687 58.321 59.018 -0.017 0.000 1.697 473 C CB -0.559 27.175 27.740 -0.010 0.000 2.312 473 C HN 1.020 nan 8.230 nan 0.000 0.509 474 K N 2.306 122.708 120.400 0.003 0.000 2.379 474 K HA 0.098 4.436 4.320 0.031 0.000 0.194 474 K C 0.098 176.711 176.600 0.021 0.000 1.031 474 K CA 0.058 56.363 56.287 0.029 0.000 1.037 474 K CB 0.136 32.641 32.500 0.008 0.000 0.824 474 K HN 0.693 nan 8.250 nan 0.000 0.516 475 D N 2.778 123.182 120.400 0.007 0.000 2.399 475 D HA 0.057 4.715 4.640 0.031 0.000 0.241 475 D C -2.114 174.188 176.300 0.003 0.000 1.133 475 D CA -1.433 52.566 54.000 -0.001 0.000 0.890 475 D CB 0.454 41.247 40.800 -0.012 0.000 1.201 475 D HN 0.019 nan 8.370 nan 0.000 0.432 476 P HA 0.008 nan 4.420 nan 0.000 0.271 476 P C -0.335 176.965 177.300 -0.000 0.000 1.233 476 P CA -0.436 62.666 63.100 0.004 0.000 0.789 476 P CB 0.527 32.228 31.700 0.002 0.000 0.951 477 V N 3.258 123.178 119.914 0.010 0.000 2.425 477 V HA -0.030 4.108 4.120 0.031 0.000 0.276 477 V C 1.139 177.237 176.094 0.007 0.000 1.017 477 V CA 0.157 62.465 62.300 0.013 0.000 1.062 477 V CB -0.521 31.327 31.823 0.042 0.000 0.997 477 V HN 0.465 nan 8.190 nan 0.000 0.476 478 Q N 3.721 123.512 119.800 -0.015 0.000 2.392 478 Q HA 0.097 4.456 4.340 0.031 0.000 0.262 478 Q C 1.208 177.212 176.000 0.008 0.000 1.003 478 Q CA 0.103 55.895 55.803 -0.018 0.000 0.888 478 Q CB 0.979 29.687 28.738 -0.049 0.000 1.260 478 Q HN 0.715 nan 8.270 nan 0.000 0.435 479 E N 0.968 121.174 120.200 0.010 0.000 2.047 479 E HA -0.083 4.285 4.350 0.031 0.000 0.191 479 E C 0.013 176.639 176.600 0.044 0.000 0.987 479 E CA 0.849 57.265 56.400 0.027 0.000 0.799 479 E CB 0.165 29.874 29.700 0.015 0.000 0.752 479 E HN 0.626 nan 8.360 nan 0.000 0.449 480 A N 1.324 124.159 122.820 0.025 0.000 2.354 480 A HA -0.016 4.323 4.320 0.031 0.000 0.281 480 A C 0.502 178.117 177.584 0.052 0.000 1.174 480 A CA -0.431 51.628 52.037 0.037 0.000 0.828 480 A CB -0.182 18.818 19.000 0.000 0.000 1.099 480 A HN 0.524 nan 8.150 nan 0.000 0.516 481 W N 3.148 124.399 121.300 -0.083 0.000 2.308 481 W HA -0.330 4.348 4.660 0.030 0.000 0.301 481 W C 1.609 178.058 176.519 -0.117 0.000 1.220 481 W CA 2.260 59.545 57.345 -0.099 0.000 1.240 481 W CB -0.140 29.247 29.460 -0.122 0.000 1.142 481 W HN 0.796 nan 8.180 nan 0.000 0.521 482 A N 0.861 123.603 122.820 -0.130 0.000 1.877 482 A HA -0.263 4.075 4.320 0.031 0.000 0.216 482 A C 1.829 179.266 177.584 -0.245 0.000 1.186 482 A CA 2.041 53.942 52.037 -0.225 0.000 0.620 482 A CB -1.018 17.903 19.000 -0.131 0.000 0.822 482 A HN 0.512 nan 8.150 nan 0.000 0.443 483 E N -0.792 119.306 120.200 -0.171 0.000 2.152 483 E HA -0.172 4.197 4.350 0.031 0.000 0.192 483 E C 1.573 178.061 176.600 -0.185 0.000 0.983 483 E CA 1.042 57.355 56.400 -0.143 0.000 0.818 483 E CB -0.184 29.463 29.700 -0.088 0.000 0.758 483 E HN 0.704 nan 8.360 nan 0.000 0.467 484 D N 0.315 120.566 120.400 -0.249 0.000 2.178 484 D HA -0.110 4.548 4.640 0.031 0.000 0.202 484 D C 1.875 177.938 176.300 -0.394 0.000 0.974 484 D CA 0.547 54.376 54.000 -0.286 0.000 0.841 484 D CB 0.279 40.908 40.800 -0.284 0.000 0.953 484 D HN -0.076 nan 8.370 nan 0.000 0.478 485 V N 0.667 120.241 119.914 -0.566 0.000 2.307 485 V HA -0.183 3.955 4.120 0.031 0.000 0.245 485 V C 1.782 177.713 176.094 -0.271 0.000 1.045 485 V CA 1.860 63.858 62.300 -0.503 0.000 1.024 485 V CB -0.467 30.994 31.823 -0.603 0.000 0.651 485 V HN 0.209 nan 8.190 nan 0.000 0.449 486 D N -0.077 120.187 120.400 -0.226 0.000 2.117 486 D HA -0.174 4.484 4.640 0.031 0.000 0.197 486 D C 2.020 178.257 176.300 -0.105 0.000 0.987 486 D CA 1.228 55.144 54.000 -0.139 0.000 0.829 486 D CB -0.341 40.388 40.800 -0.118 0.000 0.961 486 D HN 0.382 nan 8.370 nan 0.000 0.460 487 L N 0.633 121.788 121.223 -0.114 0.000 2.012 487 L HA -0.189 4.169 4.340 0.031 0.000 0.210 487 L C 2.267 179.098 176.870 -0.064 0.000 1.073 487 L CA 1.568 56.360 54.840 -0.080 0.000 0.748 487 L CB 0.021 42.029 42.059 -0.085 0.000 0.891 487 L HN -0.113 nan 8.230 nan 0.000 0.431 488 R N -1.253 119.194 120.500 -0.088 0.000 2.235 488 R HA -0.058 4.300 4.340 0.031 0.000 0.213 488 R C 1.963 178.244 176.300 -0.032 0.000 1.059 488 R CA 0.948 57.012 56.100 -0.061 0.000 0.997 488 R CB -0.121 30.126 30.300 -0.088 0.000 0.884 488 R HN 0.322 nan 8.270 nan 0.000 0.462 489 V N 0.955 120.843 119.914 -0.044 0.000 2.302 489 V HA -0.210 3.928 4.120 0.031 0.000 0.243 489 V C 2.044 178.149 176.094 0.017 0.000 1.036 489 V CA 1.562 63.854 62.300 -0.014 0.000 1.020 489 V CB -0.617 31.184 31.823 -0.036 0.000 0.657 489 V HN 0.421 nan 8.190 nan 0.000 0.453 490 N N 0.098 118.800 118.700 0.002 0.000 2.137 490 N HA -0.221 4.537 4.740 0.031 0.000 0.190 490 N C 1.929 177.465 175.510 0.044 0.000 1.017 490 N CA 1.578 54.641 53.050 0.022 0.000 0.859 490 N CB -0.041 38.447 38.487 0.002 0.000 1.002 490 N HN 0.338 nan 8.380 nan 0.000 0.428 491 L N 1.546 122.788 121.223 0.032 0.000 1.989 491 L HA -0.100 4.258 4.340 0.031 0.000 0.211 491 L C 2.324 179.242 176.870 0.080 0.000 1.071 491 L CA 2.048 56.913 54.840 0.043 0.000 0.749 491 L CB -1.160 40.915 42.059 0.026 0.000 0.890 491 L HN 0.140 nan 8.230 nan 0.000 0.431 492 A N -0.908 121.973 122.820 0.100 0.000 1.972 492 A HA -0.197 4.141 4.320 0.031 0.000 0.219 492 A C 2.187 179.922 177.584 0.252 0.000 1.169 492 A CA 1.998 54.136 52.037 0.169 0.000 0.635 492 A CB -0.522 18.576 19.000 0.163 0.000 0.810 492 A HN 0.536 nan 8.150 nan 0.000 0.446 493 M N -0.176 119.557 119.600 0.220 0.000 2.156 493 M HA -0.078 4.420 4.480 0.031 0.000 0.264 493 M C 1.641 178.086 176.300 0.243 0.000 1.067 493 M CA 1.159 56.651 55.300 0.319 0.000 1.131 493 M CB -1.424 31.277 32.600 0.168 0.000 1.368 493 M HN 0.398 nan 8.290 nan 0.000 0.416 494 N N 0.441 119.211 118.700 0.116 0.000 2.135 494 N HA -0.075 4.683 4.740 0.031 0.000 0.186 494 N C 1.939 177.442 175.510 -0.012 0.000 1.027 494 N CA 1.050 54.129 53.050 0.048 0.000 0.849 494 N CB -0.506 38.002 38.487 0.035 0.000 1.002 494 N HN 0.119 nan 8.380 nan 0.000 0.425 495 V N 1.227 121.147 119.914 0.010 0.000 2.231 495 V HA -0.231 3.908 4.120 0.031 0.000 0.248 495 V C 2.506 178.459 176.094 -0.235 0.000 1.054 495 V CA 2.225 64.510 62.300 -0.026 0.000 1.015 495 V CB -1.405 30.483 31.823 0.108 0.000 0.638 495 V HN 0.354 nan 8.190 nan 0.000 0.444 496 G N -0.449 108.185 108.800 -0.278 0.000 2.476 496 G HA2 -0.296 3.682 3.960 0.031 0.000 0.218 496 G HA3 -0.296 3.682 3.960 0.031 0.000 0.218 496 G C 1.664 175.961 174.900 -1.004 0.000 1.164 496 G CA 1.233 45.807 45.100 -0.876 0.000 0.768 496 G HN 0.509 nan 8.290 nan 0.000 0.560 497 K N 0.485 120.559 120.400 -0.543 0.000 2.001 497 K HA 0.088 4.426 4.320 0.031 0.000 0.208 497 K C 3.024 179.461 176.600 -0.272 0.000 1.048 497 K CA 0.979 57.091 56.287 -0.292 0.000 0.932 497 K CB -0.291 32.184 32.500 -0.042 0.000 0.715 497 K HN 0.256 nan 8.250 nan 0.000 0.437 498 A N 1.638 124.318 122.820 -0.233 0.000 1.908 498 A HA -0.160 4.179 4.320 0.031 0.000 0.218 498 A C 1.920 179.336 177.584 -0.280 0.000 1.181 498 A CA 1.358 53.281 52.037 -0.189 0.000 0.627 498 A CB -0.328 18.598 19.000 -0.125 0.000 0.818 498 A HN 0.116 nan 8.150 nan 0.000 0.445 499 R N -0.849 119.357 120.500 -0.490 0.000 2.339 499 R HA 0.026 4.384 4.340 0.031 0.000 0.199 499 R C 1.391 177.264 176.300 -0.711 0.000 1.018 499 R CA 0.692 56.349 56.100 -0.739 0.000 1.036 499 R CB -1.144 28.319 30.300 -1.395 0.000 0.899 499 R HN 0.892 nan 8.270 nan 0.000 0.473 500 G N 0.648 109.169 108.800 -0.466 0.000 2.168 500 G HA2 -0.286 3.692 3.960 0.031 0.000 0.257 500 G HA3 -0.286 3.692 3.960 0.031 0.000 0.257 500 G C 0.571 175.424 174.900 -0.079 0.000 0.997 500 G CA 0.341 45.308 45.100 -0.221 0.000 0.708 500 G HN 0.272 nan 8.290 nan 0.000 0.520 501 F N -0.232 119.502 119.950 -0.359 0.000 2.259 501 F HA 0.342 4.889 4.527 0.033 0.000 0.298 501 F C 1.460 177.162 175.800 -0.164 0.000 1.088 501 F CA 0.713 58.513 58.000 -0.333 0.000 1.358 501 F CB -0.675 38.028 39.000 -0.495 0.000 1.040 501 F HN 0.425 nan 8.300 nan 0.000 0.505 502 F N -1.286 118.742 119.950 0.130 0.000 2.831 502 F HA 0.613 5.158 4.527 0.030 0.000 0.318 502 F C -0.803 175.015 175.800 0.031 0.000 1.174 502 F CA -2.306 55.736 58.000 0.070 0.000 0.918 502 F CB 1.092 40.131 39.000 0.066 0.000 1.364 502 F HN -0.219 nan 8.300 nan 0.000 0.475 503 K N 0.113 120.733 120.400 0.367 0.000 2.430 503 K HA 0.438 4.776 4.320 0.031 0.000 0.268 503 K C -1.454 175.244 176.600 0.163 0.000 1.043 503 K CA -1.248 55.169 56.287 0.215 0.000 0.899 503 K CB 2.196 34.763 32.500 0.111 0.000 1.472 503 K HN 0.819 nan 8.250 nan 0.000 0.451 504 K N -0.040 120.419 120.400 0.099 0.000 2.524 504 K HA 0.027 4.365 4.320 0.031 0.000 0.279 504 K C 0.645 177.262 176.600 0.028 0.000 0.993 504 K CA 1.825 58.142 56.287 0.050 0.000 1.030 504 K CB -0.347 32.175 32.500 0.036 0.000 0.891 504 K HN 0.861 nan 8.250 nan 0.000 0.488 505 G N 2.940 111.741 108.800 0.002 0.000 2.241 505 G HA2 -0.215 3.763 3.960 0.031 0.000 0.244 505 G HA3 -0.215 3.763 3.960 0.031 0.000 0.244 505 G C -0.143 174.747 174.900 -0.017 0.000 0.998 505 G CA 0.246 45.341 45.100 -0.008 0.000 0.621 505 G HN 0.725 nan 8.290 nan 0.000 0.519 506 D N 0.233 120.625 120.400 -0.014 0.000 2.377 506 D HA 0.513 5.171 4.640 0.031 0.000 0.245 506 D C 0.906 177.143 176.300 -0.104 0.000 1.196 506 D CA 0.725 54.707 54.000 -0.030 0.000 0.962 506 D CB 1.667 42.481 40.800 0.024 0.000 1.127 506 D HN 0.908 nan 8.370 nan 0.000 0.471 507 V N -1.455 118.395 119.914 -0.106 0.000 2.628 507 V HA 0.772 4.910 4.120 0.031 0.000 0.306 507 V C 0.022 176.009 176.094 -0.178 0.000 1.045 507 V CA -0.887 61.334 62.300 -0.132 0.000 0.905 507 V CB 1.362 33.139 31.823 -0.077 0.000 0.997 507 V HN 0.349 nan 8.190 nan 0.000 0.436 508 V N 1.612 121.402 119.914 -0.207 0.000 3.074 508 V HA 0.708 4.846 4.120 0.031 0.000 0.314 508 V C -0.554 175.474 176.094 -0.110 0.000 1.117 508 V CA -0.906 61.280 62.300 -0.190 0.000 1.014 508 V CB 2.166 33.802 31.823 -0.311 0.000 1.057 508 V HN 0.785 nan 8.190 nan 0.000 0.438 509 I N 2.629 123.155 120.570 -0.074 0.000 2.321 509 I HA 0.460 4.649 4.170 0.031 0.000 0.291 509 I C -0.195 175.905 176.117 -0.028 0.000 0.998 509 I CA -0.465 60.805 61.300 -0.050 0.000 1.227 509 I CB 1.307 39.277 38.000 -0.051 0.000 1.368 509 I HN 0.463 nan 8.210 nan 0.000 0.466 510 V N 7.743 127.645 119.914 -0.021 0.000 2.370 510 V HA 0.413 4.551 4.120 0.031 0.000 0.279 510 V C 0.143 176.246 176.094 0.015 0.000 1.029 510 V CA -0.594 61.703 62.300 -0.004 0.000 0.870 510 V CB 2.035 33.851 31.823 -0.013 0.000 0.984 510 V HN 0.452 nan 8.190 nan 0.000 0.451 511 L N 5.886 127.124 121.223 0.025 0.000 2.294 511 L HA 0.671 5.029 4.340 0.031 0.000 0.283 511 L C 0.316 177.214 176.870 0.047 0.000 1.015 511 L CA 0.023 54.889 54.840 0.042 0.000 0.831 511 L CB 1.823 43.910 42.059 0.048 0.000 1.217 511 L HN 0.914 nan 8.230 nan 0.000 0.420 512 T N -0.396 114.197 114.554 0.064 0.000 2.864 512 T HA 0.680 5.049 4.350 0.031 0.000 0.289 512 T C 0.007 174.785 174.700 0.129 0.000 1.082 512 T CA -0.766 61.380 62.100 0.078 0.000 1.009 512 T CB 1.824 70.721 68.868 0.048 0.000 1.234 512 T HN 0.475 nan 8.240 nan 0.000 0.526 513 G N -0.356 108.577 108.800 0.221 0.000 2.356 513 G HA2 0.366 4.345 3.960 0.031 0.000 0.298 513 G HA3 0.366 4.345 3.960 0.031 0.000 0.298 513 G C 0.349 175.519 174.900 0.450 0.000 1.145 513 G CA -0.835 44.436 45.100 0.285 0.000 0.850 513 G HN 0.810 nan 8.290 nan 0.000 0.487 514 W N 3.154 124.515 121.300 0.102 0.000 2.381 514 W HA 0.063 4.741 4.660 0.031 0.000 0.301 514 W C 0.032 176.629 176.519 0.129 0.000 1.205 514 W CA 0.648 58.064 57.345 0.119 0.000 1.285 514 W CB 0.346 29.801 29.460 -0.008 0.000 1.133 514 W HN 0.289 nan 8.180 nan 0.000 0.521 515 R N -1.346 119.076 120.500 -0.130 0.000 2.867 515 R HA 0.255 4.613 4.340 0.031 0.000 0.268 515 R C -1.588 173.899 176.300 -1.355 0.000 1.014 515 R CA -2.131 53.518 56.100 -0.751 0.000 0.946 515 R CB 0.160 30.255 30.300 -0.342 0.000 1.208 515 R HN -0.288 nan 8.270 nan 0.000 0.477 516 P HA -0.091 nan 4.420 nan 0.000 0.218 516 P C 1.176 178.060 177.300 -0.692 0.000 1.148 516 P CA 1.491 63.629 63.100 -1.602 0.000 0.822 516 P CB 0.162 31.346 31.700 -0.860 0.000 0.784 517 G N -0.406 108.120 108.800 -0.457 0.000 2.432 517 G HA2 -0.170 3.809 3.960 0.031 0.000 0.219 517 G HA3 -0.170 3.809 3.960 0.031 0.000 0.219 517 G C 0.528 175.329 174.900 -0.166 0.000 1.135 517 G CA 0.209 45.167 45.100 -0.236 0.000 0.767 517 G HN 0.258 nan 8.290 nan 0.000 0.550 518 S N 0.296 115.876 115.700 -0.198 0.000 2.573 518 S HA 0.290 4.778 4.470 0.031 0.000 0.297 518 S C 1.354 175.916 174.600 -0.063 0.000 1.280 518 S CA 0.161 58.267 58.200 -0.156 0.000 1.061 518 S CB 1.377 64.428 63.200 -0.248 0.000 0.812 518 S HN 0.388 nan 8.310 nan 0.000 0.500 519 G N 1.356 110.190 108.800 0.056 0.000 3.371 519 G HA2 0.462 4.440 3.960 0.031 0.000 0.248 519 G HA3 0.462 4.440 3.960 0.031 0.000 0.248 519 G C -0.133 174.949 174.900 0.303 0.000 1.161 519 G CA -0.350 44.846 45.100 0.161 0.000 0.796 519 G HN 0.682 nan 8.290 nan 0.000 0.539 520 F N -2.277 117.694 119.950 0.036 0.000 2.770 520 F HA 0.481 5.027 4.527 0.031 0.000 0.313 520 F C -0.337 175.502 175.800 0.066 0.000 1.154 520 F CA -1.379 56.645 58.000 0.041 0.000 0.923 520 F CB 0.428 39.447 39.000 0.031 0.000 1.301 520 F HN -0.015 nan 8.300 nan 0.000 0.449 521 T N 0.838 115.446 114.554 0.090 0.000 2.750 521 T HA 0.212 4.580 4.350 0.031 0.000 0.286 521 T C 0.196 174.870 174.700 -0.043 0.000 0.911 521 T CA -0.130 61.975 62.100 0.009 0.000 1.130 521 T CB -0.209 68.713 68.868 0.090 0.000 0.873 521 T HN 0.805 nan 8.240 nan 0.000 0.536 522 N N 1.551 120.095 118.700 -0.261 0.000 2.214 522 N HA 0.086 4.844 4.740 0.031 0.000 0.214 522 N C -0.644 174.855 175.510 -0.018 0.000 1.132 522 N CA -0.617 52.321 53.050 -0.186 0.000 0.856 522 N CB 0.478 38.682 38.487 -0.472 0.000 1.020 522 N HN 0.532 nan 8.380 nan 0.000 0.509 523 T N 1.299 115.883 114.554 0.050 0.000 2.840 523 T HA 0.344 4.712 4.350 0.031 0.000 0.287 523 T C -0.857 173.891 174.700 0.080 0.000 0.991 523 T CA -0.627 61.534 62.100 0.101 0.000 0.964 523 T CB 1.789 70.803 68.868 0.243 0.000 0.954 523 T HN 0.051 nan 8.240 nan 0.000 0.438 524 M N 3.816 123.448 119.600 0.054 0.000 2.311 524 M HA 0.556 5.054 4.480 0.031 0.000 0.325 524 M C -1.328 174.989 176.300 0.028 0.000 1.061 524 M CA -0.488 54.833 55.300 0.036 0.000 0.957 524 M CB 1.474 34.085 32.600 0.019 0.000 1.646 524 M HN 0.620 nan 8.290 nan 0.000 0.434 525 R N 2.481 122.993 120.500 0.020 0.000 2.750 525 R HA 0.717 5.075 4.340 0.031 0.000 0.281 525 R C -1.165 175.127 176.300 -0.014 0.000 0.972 525 R CA -0.918 55.187 56.100 0.010 0.000 0.912 525 R CB 2.607 32.919 30.300 0.020 0.000 1.187 525 R HN 0.514 nan 8.270 nan 0.000 0.464 526 V N 3.070 122.971 119.914 -0.020 0.000 2.465 526 V HA 0.374 4.513 4.120 0.031 0.000 0.279 526 V C -0.297 175.774 176.094 -0.038 0.000 1.045 526 V CA -0.335 61.943 62.300 -0.036 0.000 0.938 526 V CB 1.535 33.337 31.823 -0.034 0.000 0.986 526 V HN 0.430 nan 8.190 nan 0.000 0.467 527 V N 6.897 126.775 119.914 -0.059 0.000 2.808 527 V HA 0.447 4.585 4.120 0.031 0.000 0.308 527 V C -2.580 173.458 176.094 -0.094 0.000 1.099 527 V CA -1.695 60.566 62.300 -0.065 0.000 0.920 527 V CB 2.624 34.409 31.823 -0.063 0.000 1.014 527 V HN 0.732 nan 8.190 nan 0.000 0.425 528 P HA 0.307 nan 4.420 nan 0.000 0.278 528 P C -0.532 176.700 177.300 -0.113 0.000 1.238 528 P CA -0.289 62.756 63.100 -0.091 0.000 0.794 528 P CB 0.826 32.493 31.700 -0.055 0.000 0.955 529 V N 5.064 124.885 119.914 -0.155 0.000 2.585 529 V HA 0.127 4.266 4.120 0.031 0.000 0.296 529 V C -1.369 174.700 176.094 -0.041 0.000 1.035 529 V CA -0.658 61.557 62.300 -0.142 0.000 1.084 529 V CB -0.166 31.549 31.823 -0.180 0.000 0.953 529 V HN 0.661 nan 8.190 nan 0.000 0.483 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.102 63.100 0.004 0.000 0.800 530 P CB 0.000 31.700 31.700 0.000 0.000 0.726