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 1ady_1_C DATA FIRST_RESID 2 DATA SEQUENCE TARAVRGTKD LFGKELRMHQ RIVATARKVL EAAGALELVT PIFEETQVFE DATA SEQUENCE KGVGAATDIV RKEMFTFQDR GGRSLTLRPE GTAAMVRAYL EHGMKVWPQP DATA SEQUENCE VRLWMAGPMF RAERPQKGRY RQFHQVNYEA LGSENPILDA EAVVLLYECL DATA SEQUENCE KELGLRRLKV KLSSVGDPED RARYNAYLRE VLSPHREALS EDSKERLEEN DATA SEQUENCE PMRILDSKSE RDQALLKELG VRPMLDFLGE EARAHLKEVE RHLERLSVPY DATA SEQUENCE ELEPALVRGL DYYVRTAFEV HHEEIGAQSA LGGGGRYDGL SELLGGPRVP DATA SEQUENCE GVGFAFGVER VALALEAEGF GLPEEKGPDL YLIPLTEEAV AEAFYLAEAL DATA SEQUENCE RPRLRAEYAL APRKPAKGLE EALKRGAAFA GFLGEDELRA GEVTLKRLAT DATA SEQUENCE GEQVRLSREE VPGYLLQALG 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.697 174.700 -0.005 0.000 1.109 2 T CA 0.000 62.097 62.100 -0.005 0.000 1.349 2 T CB 0.000 68.864 68.868 -0.006 0.000 0.612 3 A N 2.848 125.663 122.820 -0.008 0.000 2.520 3 A HA 0.557 4.877 4.320 -0.000 0.000 0.235 3 A C 0.403 177.983 177.584 -0.006 0.000 1.065 3 A CA 0.536 52.568 52.037 -0.009 0.000 0.764 3 A CB 0.141 19.133 19.000 -0.014 0.000 1.002 3 A HN 0.356 nan 8.150 nan 0.000 0.502 4 R N -0.114 120.384 120.500 -0.004 0.000 2.905 4 R HA 0.641 4.981 4.340 -0.000 0.000 0.260 4 R C -0.332 175.968 176.300 0.000 0.000 1.086 4 R CA -0.351 55.749 56.100 0.001 0.000 0.978 4 R CB 1.760 32.064 30.300 0.006 0.000 1.215 4 R HN 0.892 nan 8.270 nan 0.000 0.480 5 A N 1.396 124.219 122.820 0.006 0.000 2.451 5 A HA 0.268 4.588 4.320 -0.000 0.000 0.266 5 A C 0.715 178.302 177.584 0.005 0.000 1.119 5 A CA -0.458 51.583 52.037 0.006 0.000 0.786 5 A CB -0.234 18.775 19.000 0.015 0.000 1.061 5 A HN 0.524 nan 8.150 nan 0.000 0.503 6 V N 1.339 121.252 119.914 -0.001 0.000 2.752 6 V HA 0.120 4.240 4.120 -0.000 0.000 0.306 6 V C 0.758 176.866 176.094 0.023 0.000 1.099 6 V CA -0.360 61.944 62.300 0.005 0.000 1.240 6 V CB -0.425 31.390 31.823 -0.013 0.000 0.887 6 V HN 0.947 nan 8.190 nan 0.000 0.499 7 R N 4.266 124.788 120.500 0.036 0.000 2.504 7 R HA 0.388 4.728 4.340 -0.000 0.000 0.291 7 R C 1.309 177.655 176.300 0.077 0.000 0.974 7 R CA 1.437 57.566 56.100 0.048 0.000 1.077 7 R CB -0.298 30.036 30.300 0.057 0.000 0.926 7 R HN 1.914 nan 8.270 nan 0.000 0.407 8 G N 1.944 110.782 108.800 0.062 0.000 2.218 8 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 8 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 8 G C 0.021 174.955 174.900 0.057 0.000 0.994 8 G CA 0.230 45.395 45.100 0.109 0.000 0.637 8 G HN 1.022 nan 8.290 nan 0.000 0.505 9 T N -1.514 113.051 114.554 0.018 0.000 2.930 9 T HA 0.808 5.158 4.350 -0.000 0.000 0.290 9 T C -0.624 174.056 174.700 -0.032 0.000 1.052 9 T CA 0.256 62.363 62.100 0.012 0.000 1.017 9 T CB 2.741 71.639 68.868 0.051 0.000 1.137 9 T HN 1.264 nan 8.240 nan 0.000 0.511 10 K N -0.034 120.358 120.400 -0.013 0.000 2.607 10 K HA 0.465 4.785 4.320 -0.000 0.000 0.287 10 K C -1.975 174.648 176.600 0.040 0.000 0.996 10 K CA -1.036 55.246 56.287 -0.009 0.000 0.876 10 K CB 1.082 33.538 32.500 -0.073 0.000 1.496 10 K HN 0.412 nan 8.250 nan 0.000 0.415 11 D N 1.825 122.273 120.400 0.080 0.000 2.312 11 D HA 0.233 4.873 4.640 -0.000 0.000 0.252 11 D C -0.408 175.979 176.300 0.145 0.000 1.150 11 D CA -0.066 54.024 54.000 0.151 0.000 0.870 11 D CB 0.999 41.937 40.800 0.229 0.000 1.153 11 D HN 0.337 nan 8.370 nan 0.000 0.457 12 L N 4.096 125.376 121.223 0.095 0.000 2.257 12 L HA 0.446 4.786 4.340 -0.000 0.000 0.290 12 L C -0.323 176.610 176.870 0.105 0.000 1.044 12 L CA -0.653 54.160 54.840 -0.045 0.000 0.810 12 L CB -0.072 41.888 42.059 -0.164 0.000 1.193 12 L HN 0.340 nan 8.230 nan 0.000 0.425 13 F N 0.964 120.857 119.950 -0.095 0.000 2.773 13 F HA 0.854 5.380 4.527 -0.000 0.000 0.314 13 F C 0.344 176.110 175.800 -0.057 0.000 1.160 13 F CA -0.309 57.652 58.000 -0.066 0.000 0.920 13 F CB 0.682 39.655 39.000 -0.044 0.000 1.323 13 F HN 0.636 nan 8.300 nan 0.000 0.457 14 G N 1.633 110.530 108.800 0.161 0.000 2.569 14 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.259 14 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.259 14 G C 0.503 175.378 174.900 -0.042 0.000 1.263 14 G CA 0.341 45.470 45.100 0.049 0.000 0.928 14 G HN 1.082 nan 8.290 nan 0.000 0.572 15 K N 0.186 120.553 120.400 -0.055 0.000 2.044 15 K HA -0.148 4.172 4.320 -0.000 0.000 0.210 15 K C 2.480 179.047 176.600 -0.055 0.000 1.049 15 K CA 1.965 58.229 56.287 -0.037 0.000 0.927 15 K CB -0.234 32.251 32.500 -0.025 0.000 0.713 15 K HN 0.608 nan 8.250 nan 0.000 0.443 16 E N 1.010 121.135 120.200 -0.125 0.000 2.070 16 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 16 E C 2.023 178.501 176.600 -0.204 0.000 1.004 16 E CA 0.997 57.315 56.400 -0.137 0.000 0.805 16 E CB -0.022 29.538 29.700 -0.233 0.000 0.744 16 E HN 0.205 nan 8.360 nan 0.000 0.451 17 L N 0.793 121.873 121.223 -0.239 0.000 2.046 17 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 17 L C 2.390 179.222 176.870 -0.064 0.000 1.077 17 L CA 1.703 56.409 54.840 -0.224 0.000 0.747 17 L CB -0.445 41.547 42.059 -0.112 0.000 0.896 17 L HN 0.180 nan 8.230 nan 0.000 0.432 18 R N -0.857 119.633 120.500 -0.016 0.000 2.081 18 R HA -0.233 4.107 4.340 -0.000 0.000 0.235 18 R C 2.129 178.468 176.300 0.066 0.000 1.131 18 R CA 1.796 57.913 56.100 0.029 0.000 0.960 18 R CB -0.387 29.928 30.300 0.025 0.000 0.856 18 R HN 0.267 nan 8.270 nan 0.000 0.436 19 M N 0.079 119.730 119.600 0.085 0.000 2.108 19 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 19 M C 1.716 178.119 176.300 0.172 0.000 1.066 19 M CA 1.799 57.170 55.300 0.119 0.000 1.107 19 M CB -0.340 32.341 32.600 0.135 0.000 1.356 19 M HN 0.222 nan 8.290 nan 0.000 0.406 20 H N -1.010 118.066 119.070 0.011 0.000 2.352 20 H HA -0.168 4.388 4.556 -0.000 0.000 0.299 20 H C 1.997 177.342 175.328 0.027 0.000 1.097 20 H CA 1.722 57.779 56.048 0.015 0.000 1.311 20 H CB -0.037 29.702 29.762 -0.038 0.000 1.377 20 H HN 0.576 nan 8.280 nan 0.000 0.504 21 Q N 0.371 120.265 119.800 0.158 0.000 2.167 21 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 21 Q C 2.372 178.426 176.000 0.090 0.000 0.970 21 Q CA 0.680 56.545 55.803 0.104 0.000 0.855 21 Q CB 0.055 28.837 28.738 0.073 0.000 0.911 21 Q HN 0.400 nan 8.270 nan 0.000 0.438 22 R N 0.363 120.910 120.500 0.078 0.000 2.066 22 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 22 R C 2.294 178.626 176.300 0.052 0.000 1.131 22 R CA 1.074 57.206 56.100 0.053 0.000 0.955 22 R CB -0.257 30.065 30.300 0.035 0.000 0.851 22 R HN 0.260 nan 8.270 nan 0.000 0.432 23 I N 0.399 121.009 120.570 0.067 0.000 2.127 23 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 23 I C 2.259 178.467 176.117 0.153 0.000 1.075 23 I CA 1.370 62.727 61.300 0.095 0.000 1.334 23 I CB -0.324 37.744 38.000 0.113 0.000 1.040 23 I HN -0.015 nan 8.210 nan 0.000 0.405 24 V N 0.993 120.997 119.914 0.149 0.000 2.515 24 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 24 V C 2.673 178.853 176.094 0.144 0.000 1.058 24 V CA 1.743 64.150 62.300 0.177 0.000 1.064 24 V CB -1.106 30.826 31.823 0.182 0.000 0.675 24 V HN 0.489 nan 8.190 nan 0.000 0.461 25 A N 0.124 123.006 122.820 0.103 0.000 1.877 25 A HA -0.228 4.091 4.320 -0.000 0.000 0.216 25 A C 2.432 180.026 177.584 0.017 0.000 1.186 25 A CA 2.598 54.676 52.037 0.068 0.000 0.620 25 A CB -1.029 18.004 19.000 0.055 0.000 0.822 25 A HN 0.481 nan 8.150 nan 0.000 0.443 26 T N 0.284 114.845 114.554 0.012 0.000 2.708 26 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 26 T C 2.247 176.918 174.700 -0.048 0.000 1.037 26 T CA 1.658 63.743 62.100 -0.024 0.000 1.146 26 T CB -0.519 68.329 68.868 -0.035 0.000 0.865 26 T HN 0.605 nan 8.240 nan 0.000 0.435 27 A N 1.788 124.614 122.820 0.010 0.000 1.908 27 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 27 A C 2.276 179.660 177.584 -0.333 0.000 1.181 27 A CA 2.060 54.092 52.037 -0.007 0.000 0.627 27 A CB -0.658 18.471 19.000 0.215 0.000 0.818 27 A HN 0.478 nan 8.150 nan 0.000 0.445 28 R N -0.091 120.157 120.500 -0.419 0.000 2.091 28 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 28 R C 2.244 178.286 176.300 -0.430 0.000 1.136 28 R CA 2.031 57.699 56.100 -0.720 0.000 0.959 28 R CB -0.287 29.908 30.300 -0.175 0.000 0.856 28 R HN 0.564 nan 8.270 nan 0.000 0.437 29 K N 0.311 120.582 120.400 -0.215 0.000 1.985 29 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 29 K C 2.090 178.598 176.600 -0.153 0.000 1.047 29 K CA 1.988 58.193 56.287 -0.137 0.000 0.932 29 K CB -0.178 32.275 32.500 -0.079 0.000 0.716 29 K HN 0.211 nan 8.250 nan 0.000 0.439 30 V N -0.215 119.609 119.914 -0.150 0.000 2.287 30 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 30 V C 2.217 178.213 176.094 -0.163 0.000 1.053 30 V CA 1.359 63.582 62.300 -0.128 0.000 1.027 30 V CB -0.799 30.962 31.823 -0.102 0.000 0.646 30 V HN 0.139 nan 8.190 nan 0.000 0.447 31 L N 0.827 121.899 121.223 -0.252 0.000 2.017 31 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 31 L C 2.802 179.542 176.870 -0.216 0.000 1.073 31 L CA 2.111 56.778 54.840 -0.288 0.000 0.745 31 L CB -1.294 40.483 42.059 -0.470 0.000 0.894 31 L HN 0.446 nan 8.230 nan 0.000 0.432 32 E N -0.908 119.126 120.200 -0.277 0.000 2.268 32 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 32 E C 2.159 178.739 176.600 -0.033 0.000 0.995 32 E CA 0.799 57.142 56.400 -0.095 0.000 0.836 32 E CB -0.124 29.544 29.700 -0.054 0.000 0.763 32 E HN 0.489 nan 8.360 nan 0.000 0.491 33 A N 1.336 124.119 122.820 -0.062 0.000 2.015 33 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 33 A C 2.253 179.828 177.584 -0.015 0.000 1.163 33 A CA 1.294 53.311 52.037 -0.034 0.000 0.646 33 A CB -0.195 18.776 19.000 -0.047 0.000 0.806 33 A HN 0.244 nan 8.150 nan 0.000 0.448 34 A N -1.797 121.012 122.820 -0.018 0.000 2.238 34 A HA 0.426 4.746 4.320 -0.000 0.000 0.208 34 A C 1.633 179.260 177.584 0.071 0.000 1.177 34 A CA 1.113 53.158 52.037 0.013 0.000 0.804 34 A CB -0.791 18.198 19.000 -0.018 0.000 0.823 34 A HN 1.812 nan 8.150 nan 0.000 0.482 35 G N -2.004 106.841 108.800 0.075 0.000 2.131 35 G HA2 0.135 4.095 3.960 -0.000 0.000 0.223 35 G HA3 0.135 4.095 3.960 -0.000 0.000 0.223 35 G C 0.322 175.327 174.900 0.176 0.000 0.990 35 G CA 0.156 45.322 45.100 0.110 0.000 0.671 35 G HN 1.523 nan 8.290 nan 0.000 0.521 36 A N -0.300 122.646 122.820 0.211 0.000 2.401 36 A HA 0.751 5.071 4.320 -0.000 0.000 0.259 36 A C 0.159 177.984 177.584 0.401 0.000 1.103 36 A CA 0.142 52.385 52.037 0.345 0.000 0.789 36 A CB 0.970 20.219 19.000 0.415 0.000 1.035 36 A HN 1.546 nan 8.150 nan 0.000 0.491 37 L N 1.465 122.926 121.223 0.396 0.000 2.309 37 L HA 0.468 4.808 4.340 -0.000 0.000 0.282 37 L C 0.285 177.303 176.870 0.247 0.000 1.036 37 L CA -0.309 54.715 54.840 0.308 0.000 0.806 37 L CB 1.475 43.656 42.059 0.202 0.000 1.220 37 L HN 0.804 nan 8.230 nan 0.000 0.429 38 E N 4.605 124.846 120.200 0.069 0.000 2.316 38 E HA 0.326 4.676 4.350 -0.000 0.000 0.275 38 E C -1.543 174.908 176.600 -0.248 0.000 1.029 38 E CA -0.394 55.743 56.400 -0.439 0.000 0.871 38 E CB 0.789 30.217 29.700 -0.454 0.000 1.022 38 E HN 0.531 nan 8.360 nan 0.000 0.418 39 L N 6.095 127.143 121.223 -0.292 0.000 2.476 39 L HA 0.378 4.718 4.340 -0.000 0.000 0.269 39 L C -1.730 175.029 176.870 -0.186 0.000 0.965 39 L CA -0.788 53.958 54.840 -0.155 0.000 0.845 39 L CB 1.697 43.723 42.059 -0.056 0.000 1.259 39 L HN 0.365 nan 8.230 nan 0.000 0.403 40 V N 3.800 123.624 119.914 -0.150 0.000 2.384 40 V HA 0.554 4.674 4.120 -0.000 0.000 0.287 40 V C 0.643 176.692 176.094 -0.075 0.000 1.020 40 V CA -0.471 61.750 62.300 -0.131 0.000 0.850 40 V CB 1.748 33.491 31.823 -0.134 0.000 0.987 40 V HN 0.878 nan 8.190 nan 0.000 0.436 41 T N 3.471 117.989 114.554 -0.059 0.000 2.918 41 T HA 0.630 4.980 4.350 -0.000 0.000 0.283 41 T C -2.411 172.262 174.700 -0.044 0.000 1.001 41 T CA -1.899 60.182 62.100 -0.031 0.000 1.041 41 T CB 1.308 70.170 68.868 -0.011 0.000 1.028 41 T HN 0.431 nan 8.240 nan 0.000 0.511 42 P HA 0.177 nan 4.420 nan 0.000 0.269 42 P C 1.011 178.236 177.300 -0.125 0.000 1.217 42 P CA -0.592 62.418 63.100 -0.150 0.000 0.783 42 P CB 0.308 31.892 31.700 -0.193 0.000 0.898 43 I N 0.429 120.859 120.570 -0.234 0.000 2.454 43 I HA -0.101 4.069 4.170 -0.000 0.000 0.254 43 I C 0.934 177.116 176.117 0.109 0.000 1.156 43 I CA 1.530 62.809 61.300 -0.033 0.000 1.433 43 I CB -1.135 36.832 38.000 -0.056 0.000 1.082 43 I HN 0.291 nan 8.210 nan 0.000 0.432 44 F N -0.235 119.826 119.950 0.185 0.000 2.599 44 F HA 0.780 5.307 4.527 -0.000 0.000 0.311 44 F C -0.316 175.579 175.800 0.159 0.000 1.076 44 F CA -1.493 56.628 58.000 0.202 0.000 0.937 44 F CB 1.042 40.140 39.000 0.163 0.000 1.282 44 F HN -0.222 nan 8.300 nan 0.000 0.460 45 E N 0.122 120.606 120.200 0.473 0.000 2.410 45 E HA 0.254 4.604 4.350 -0.000 0.000 0.269 45 E C -1.275 175.376 176.600 0.085 0.000 0.937 45 E CA -1.032 55.475 56.400 0.178 0.000 0.793 45 E CB 2.120 31.736 29.700 -0.140 0.000 1.314 45 E HN 0.748 nan 8.360 nan 0.000 0.447 46 E N 0.751 120.931 120.200 -0.033 0.000 2.417 46 E HA -0.041 4.308 4.350 -0.000 0.000 0.261 46 E C 0.858 177.416 176.600 -0.068 0.000 1.000 46 E CA 0.239 56.601 56.400 -0.064 0.000 0.919 46 E CB 0.586 30.240 29.700 -0.078 0.000 0.955 46 E HN 0.432 nan 8.360 nan 0.000 0.455 47 T N 3.282 117.815 114.554 -0.035 0.000 2.714 47 T HA -0.319 4.031 4.350 -0.000 0.000 0.268 47 T C 1.832 176.546 174.700 0.023 0.000 1.036 47 T CA 2.407 64.529 62.100 0.036 0.000 1.148 47 T CB -0.083 68.778 68.868 -0.012 0.000 0.856 47 T HN 0.658 nan 8.240 nan 0.000 0.462 48 Q N 0.037 119.812 119.800 -0.041 0.000 2.096 48 Q HA -0.080 4.259 4.340 -0.000 0.000 0.204 48 Q C 2.194 178.135 176.000 -0.098 0.000 0.982 48 Q CA 1.967 57.740 55.803 -0.050 0.000 0.850 48 Q CB -0.787 27.916 28.738 -0.058 0.000 0.901 48 Q HN 0.446 nan 8.270 nan 0.000 0.422 49 V N 0.436 120.217 119.914 -0.222 0.000 2.380 49 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 49 V C 1.860 177.723 176.094 -0.386 0.000 1.063 49 V CA 1.974 64.045 62.300 -0.381 0.000 1.055 49 V CB -0.717 30.733 31.823 -0.621 0.000 0.657 49 V HN 0.342 nan 8.190 nan 0.000 0.455 50 F N -0.165 119.785 119.950 -0.001 0.000 2.446 50 F HA 0.102 4.628 4.527 -0.000 0.000 0.292 50 F C 2.311 178.121 175.800 0.017 0.000 1.096 50 F CA 0.482 58.492 58.000 0.016 0.000 1.438 50 F CB -0.553 38.461 39.000 0.023 0.000 1.107 50 F HN 0.141 nan 8.300 nan 0.000 0.546 51 E N 0.824 121.114 120.200 0.151 0.000 2.017 51 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 51 E C 2.039 178.676 176.600 0.062 0.000 0.997 51 E CA 1.446 57.899 56.400 0.088 0.000 0.804 51 E CB -0.182 29.547 29.700 0.049 0.000 0.757 51 E HN 0.357 nan 8.360 nan 0.000 0.448 52 K N 0.233 120.651 120.400 0.030 0.000 2.025 52 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 52 K C 2.248 178.873 176.600 0.041 0.000 1.049 52 K CA 1.127 57.426 56.287 0.020 0.000 0.933 52 K CB -0.318 32.175 32.500 -0.011 0.000 0.714 52 K HN 0.141 nan 8.250 nan 0.000 0.438 53 G N 1.081 109.905 108.800 0.040 0.000 2.484 53 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 53 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 53 G C 1.553 176.599 174.900 0.244 0.000 1.219 53 G CA 0.878 46.026 45.100 0.080 0.000 0.791 53 G HN 0.107 nan 8.290 nan 0.000 0.550 54 V N 0.963 121.027 119.914 0.250 0.000 2.759 54 V HA 0.297 4.417 4.120 -0.000 0.000 0.256 54 V C 1.423 177.557 176.094 0.067 0.000 1.080 54 V CA 0.892 63.308 62.300 0.192 0.000 1.101 54 V CB -1.437 30.483 31.823 0.162 0.000 0.698 54 V HN 1.146 nan 8.190 nan 0.000 0.477 55 G N -0.415 108.433 108.800 0.081 0.000 3.421 55 G HA2 0.166 4.126 3.960 -0.000 0.000 0.686 55 G HA3 0.166 4.126 3.960 -0.000 0.000 0.686 55 G C 0.286 175.206 174.900 0.034 0.000 1.056 55 G CA -0.224 44.904 45.100 0.046 0.000 0.891 55 G HN 0.734 nan 8.290 nan 0.000 0.514 56 A N 1.147 123.985 122.820 0.030 0.000 2.272 56 A HA 0.336 4.656 4.320 -0.000 0.000 0.213 56 A C 2.405 179.997 177.584 0.013 0.000 1.183 56 A CA 2.422 54.472 52.037 0.022 0.000 0.719 56 A CB -0.134 18.877 19.000 0.018 0.000 0.771 56 A HN 2.365 nan 8.150 nan 0.000 0.484 57 A N -1.684 121.142 122.820 0.010 0.000 2.252 57 A HA 0.325 4.645 4.320 -0.000 0.000 0.213 57 A C 1.283 178.865 177.584 -0.003 0.000 1.188 57 A CA 0.844 52.883 52.037 0.003 0.000 0.863 57 A CB -0.299 18.703 19.000 0.003 0.000 0.893 57 A HN 0.362 nan 8.150 nan 0.000 0.495 58 T N -0.382 114.170 114.554 -0.003 0.000 2.899 58 T HA 0.217 4.567 4.350 -0.000 0.000 0.295 58 T C 0.719 175.411 174.700 -0.014 0.000 1.033 58 T CA 0.137 62.230 62.100 -0.012 0.000 1.084 58 T CB 0.529 69.384 68.868 -0.021 0.000 0.979 58 T HN 0.298 nan 8.240 nan 0.000 0.532 59 D N 2.594 122.983 120.400 -0.020 0.000 2.123 59 D HA -0.078 4.562 4.640 -0.000 0.000 0.196 59 D C 1.976 178.258 176.300 -0.030 0.000 0.992 59 D CA 1.294 55.279 54.000 -0.024 0.000 0.833 59 D CB -0.195 40.589 40.800 -0.026 0.000 0.954 59 D HN 0.589 nan 8.370 nan 0.000 0.455 60 I N 0.228 120.780 120.570 -0.030 0.000 2.069 60 I HA -0.293 3.877 4.170 -0.000 0.000 0.237 60 I C 2.309 178.405 176.117 -0.034 0.000 1.053 60 I CA 0.971 62.249 61.300 -0.036 0.000 1.311 60 I CB -0.514 37.471 38.000 -0.025 0.000 1.030 60 I HN -0.040 nan 8.210 nan 0.000 0.398 61 V N 0.640 120.549 119.914 -0.008 0.000 2.295 61 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 61 V C 2.544 178.636 176.094 -0.004 0.000 1.049 61 V CA 1.847 64.153 62.300 0.010 0.000 1.024 61 V CB -0.784 31.060 31.823 0.035 0.000 0.648 61 V HN 0.355 nan 8.190 nan 0.000 0.447 62 R N 0.662 121.157 120.500 -0.009 0.000 2.115 62 R HA -0.097 4.243 4.340 -0.000 0.000 0.230 62 R C 1.587 177.874 176.300 -0.021 0.000 1.111 62 R CA 1.529 57.622 56.100 -0.012 0.000 0.976 62 R CB -0.032 30.262 30.300 -0.010 0.000 0.870 62 R HN 0.689 nan 8.270 nan 0.000 0.445 63 K N -1.635 118.743 120.400 -0.036 0.000 2.646 63 K HA 0.154 4.474 4.320 -0.000 0.000 0.177 63 K C -0.181 176.366 176.600 -0.088 0.000 1.222 63 K CA -0.106 56.152 56.287 -0.049 0.000 1.138 63 K CB 0.605 33.084 32.500 -0.035 0.000 0.955 63 K HN -0.080 nan 8.250 nan 0.000 0.524 64 E N 1.410 121.544 120.200 -0.111 0.000 2.876 64 E HA 0.296 4.646 4.350 -0.000 0.000 0.208 64 E C -0.694 175.751 176.600 -0.260 0.000 0.981 64 E CA -0.201 56.090 56.400 -0.182 0.000 1.174 64 E CB 0.729 30.359 29.700 -0.117 0.000 1.047 64 E HN 0.255 nan 8.360 nan 0.000 0.477 65 M N 1.070 120.545 119.600 -0.208 0.000 2.149 65 M HA 0.338 4.818 4.480 -0.000 0.000 0.342 65 M C -0.774 175.448 176.300 -0.130 0.000 1.068 65 M CA -0.749 54.450 55.300 -0.169 0.000 0.991 65 M CB 0.968 33.525 32.600 -0.072 0.000 1.596 65 M HN -0.044 nan 8.290 nan 0.000 0.439 66 F N 1.873 121.852 119.950 0.050 0.000 2.541 66 F HA 0.175 4.702 4.527 -0.000 0.000 0.347 66 F C 1.057 176.912 175.800 0.092 0.000 1.242 66 F CA 0.079 58.127 58.000 0.081 0.000 1.123 66 F CB -0.041 39.008 39.000 0.082 0.000 1.354 66 F HN 0.367 nan 8.300 nan 0.000 0.621 67 T N 5.047 119.730 114.554 0.216 0.000 2.855 67 T HA 0.759 5.108 4.350 -0.000 0.000 0.281 67 T C -0.804 173.971 174.700 0.125 0.000 1.007 67 T CA -0.424 61.707 62.100 0.052 0.000 1.009 67 T CB 0.544 69.407 68.868 -0.008 0.000 0.983 67 T HN 0.282 nan 8.240 nan 0.000 0.455 68 F N 1.142 121.089 119.950 -0.005 0.000 2.645 68 F HA 0.628 5.155 4.527 -0.000 0.000 0.310 68 F C -0.703 175.059 175.800 -0.064 0.000 1.102 68 F CA -1.348 56.629 58.000 -0.038 0.000 0.952 68 F CB 1.573 40.532 39.000 -0.068 0.000 1.326 68 F HN 0.524 nan 8.300 nan 0.000 0.456 69 Q N 1.734 121.607 119.800 0.121 0.000 2.243 69 Q HA 0.248 4.588 4.340 -0.000 0.000 0.252 69 Q C -1.166 174.879 176.000 0.075 0.000 0.909 69 Q CA -0.680 55.136 55.803 0.020 0.000 0.922 69 Q CB 1.479 30.226 28.738 0.014 0.000 1.215 69 Q HN 0.823 nan 8.270 nan 0.000 0.427 70 D N 1.003 121.398 120.400 -0.009 0.000 2.362 70 D HA 0.013 4.653 4.640 -0.000 0.000 0.242 70 D C 0.843 177.149 176.300 0.010 0.000 1.132 70 D CA -0.154 53.850 54.000 0.006 0.000 0.907 70 D CB 0.907 41.679 40.800 -0.047 0.000 1.195 70 D HN 0.444 nan 8.370 nan 0.000 0.429 71 R N 2.254 122.761 120.500 0.012 0.000 2.241 71 R HA -0.014 4.325 4.340 -0.000 0.000 0.224 71 R C 1.513 177.814 176.300 0.001 0.000 1.101 71 R CA 0.996 57.100 56.100 0.006 0.000 0.995 71 R CB -0.534 29.768 30.300 0.005 0.000 0.870 71 R HN 0.520 nan 8.270 nan 0.000 0.463 72 G N -1.295 107.504 108.800 -0.002 0.000 3.277 72 G HA2 0.341 4.301 3.960 -0.000 0.000 0.243 72 G HA3 0.341 4.301 3.960 -0.000 0.000 0.243 72 G C 0.843 175.737 174.900 -0.009 0.000 1.107 72 G CA 0.428 45.526 45.100 -0.004 0.000 0.771 72 G HN 0.439 nan 8.290 nan 0.000 0.544 73 G N 0.093 108.885 108.800 -0.013 0.000 2.561 73 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.203 73 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.203 73 G C 0.616 175.499 174.900 -0.030 0.000 1.101 73 G CA -0.546 44.543 45.100 -0.017 0.000 0.711 73 G HN 0.375 nan 8.290 nan 0.000 0.511 74 R N 1.411 121.889 120.500 -0.037 0.000 2.697 74 R HA 0.357 4.697 4.340 -0.000 0.000 0.265 74 R C 0.257 176.504 176.300 -0.088 0.000 1.009 74 R CA 0.694 56.760 56.100 -0.057 0.000 1.099 74 R CB 0.714 30.980 30.300 -0.057 0.000 0.965 74 R HN 0.406 nan 8.270 nan 0.000 0.428 75 S N 2.401 118.039 115.700 -0.102 0.000 2.442 75 S HA 0.449 4.919 4.470 -0.000 0.000 0.297 75 S C -0.724 173.740 174.600 -0.226 0.000 1.131 75 S CA -0.744 57.367 58.200 -0.147 0.000 1.092 75 S CB 0.381 63.525 63.200 -0.094 0.000 0.998 75 S HN 0.248 nan 8.310 nan 0.000 0.478 76 L N 3.975 124.926 121.223 -0.452 0.000 2.330 76 L HA 0.681 5.021 4.340 -0.000 0.000 0.271 76 L C 0.215 176.689 176.870 -0.658 0.000 1.013 76 L CA -0.148 54.344 54.840 -0.580 0.000 0.816 76 L CB 2.000 43.514 42.059 -0.907 0.000 1.287 76 L HN 0.651 nan 8.230 nan 0.000 0.435 77 T N 1.942 116.356 114.554 -0.233 0.000 2.916 77 T HA 0.470 4.820 4.350 -0.000 0.000 0.298 77 T C -0.777 174.041 174.700 0.197 0.000 1.031 77 T CA -0.559 61.521 62.100 -0.033 0.000 0.993 77 T CB 1.577 70.529 68.868 0.140 0.000 1.045 77 T HN 0.125 nan 8.240 nan 0.000 0.454 78 L N 3.800 125.155 121.223 0.221 0.000 2.500 78 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 78 L C 1.249 178.244 176.870 0.208 0.000 1.149 78 L CA 0.075 55.090 54.840 0.292 0.000 0.897 78 L CB -0.020 42.154 42.059 0.191 0.000 1.178 78 L HN 0.525 nan 8.230 nan 0.000 0.473 79 R N 7.962 128.604 120.500 0.238 0.000 2.614 79 R HA -0.067 4.273 4.340 -0.000 0.000 0.335 79 R C -1.920 174.265 176.300 -0.192 0.000 0.859 79 R CA -0.283 55.757 56.100 -0.101 0.000 1.123 79 R CB 0.362 30.780 30.300 0.197 0.000 0.887 79 R HN 0.443 nan 8.270 nan 0.000 0.407 80 P HA 0.079 nan 4.420 nan 0.000 0.252 80 P C -0.314 176.911 177.300 -0.125 0.000 1.211 80 P CA 0.584 63.541 63.100 -0.238 0.000 0.824 80 P CB 0.548 32.091 31.700 -0.262 0.000 1.077 81 E N -0.848 119.275 120.200 -0.129 0.000 2.401 81 E HA 0.315 4.665 4.350 -0.000 0.000 0.280 81 E C -0.296 176.356 176.600 0.086 0.000 1.039 81 E CA -0.472 55.944 56.400 0.026 0.000 0.814 81 E CB 0.899 30.658 29.700 0.099 0.000 1.275 81 E HN -0.114 nan 8.360 nan 0.000 0.448 82 G N 1.024 109.851 108.800 0.045 0.000 2.545 82 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.212 82 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.212 82 G C 1.046 175.917 174.900 -0.049 0.000 1.144 82 G CA 1.191 46.301 45.100 0.017 0.000 0.813 82 G HN 0.569 nan 8.290 nan 0.000 0.531 83 T N 2.323 116.794 114.554 -0.138 0.000 2.592 83 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 83 T C 2.789 177.244 174.700 -0.408 0.000 1.060 83 T CA 2.072 63.936 62.100 -0.394 0.000 1.167 83 T CB -0.660 67.757 68.868 -0.751 0.000 0.863 83 T HN 0.370 nan 8.240 nan 0.000 0.431 84 A N 1.692 124.315 122.820 -0.327 0.000 1.903 84 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 84 A C 2.706 180.161 177.584 -0.216 0.000 1.191 84 A CA 2.418 54.290 52.037 -0.275 0.000 0.638 84 A CB -1.327 17.604 19.000 -0.115 0.000 0.823 84 A HN 0.598 nan 8.150 nan 0.000 0.451 85 A N -0.995 121.750 122.820 -0.124 0.000 1.877 85 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 85 A C 2.205 179.735 177.584 -0.089 0.000 1.186 85 A CA 2.013 53.989 52.037 -0.102 0.000 0.620 85 A CB -0.510 18.497 19.000 0.011 0.000 0.822 85 A HN 0.459 nan 8.150 nan 0.000 0.443 86 M N -0.341 119.201 119.600 -0.097 0.000 2.149 86 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 86 M C 2.190 178.457 176.300 -0.054 0.000 1.064 86 M CA 1.327 56.584 55.300 -0.073 0.000 1.102 86 M CB -1.237 31.302 32.600 -0.102 0.000 1.369 86 M HN 0.265 nan 8.290 nan 0.000 0.408 87 V N -0.123 119.718 119.914 -0.121 0.000 2.427 87 V HA -0.198 3.921 4.120 -0.000 0.000 0.248 87 V C 2.647 178.715 176.094 -0.044 0.000 1.051 87 V CA 1.396 63.638 62.300 -0.096 0.000 1.048 87 V CB -0.814 30.904 31.823 -0.174 0.000 0.666 87 V HN 0.429 nan 8.190 nan 0.000 0.456 88 R N 0.838 121.282 120.500 -0.093 0.000 2.091 88 R HA -0.164 4.175 4.340 -0.000 0.000 0.238 88 R C 2.253 178.510 176.300 -0.071 0.000 1.136 88 R CA 2.033 58.073 56.100 -0.099 0.000 0.959 88 R CB -0.659 29.554 30.300 -0.145 0.000 0.856 88 R HN 0.472 nan 8.270 nan 0.000 0.437 89 A N -0.020 122.782 122.820 -0.031 0.000 1.877 89 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 89 A C 2.144 179.746 177.584 0.031 0.000 1.186 89 A CA 1.381 53.437 52.037 0.032 0.000 0.620 89 A CB -0.993 18.067 19.000 0.099 0.000 0.822 89 A HN 0.547 nan 8.150 nan 0.000 0.443 90 Y N 0.175 120.406 120.300 -0.116 0.000 2.114 90 Y HA -0.246 4.304 4.550 -0.000 0.000 0.282 90 Y C 1.953 177.728 175.900 -0.209 0.000 1.165 90 Y CA 2.035 60.015 58.100 -0.200 0.000 1.148 90 Y CB -0.318 38.037 38.460 -0.176 0.000 0.972 90 Y HN 0.218 nan 8.280 nan 0.000 0.504 91 L N 0.658 121.909 121.223 0.045 0.000 1.994 91 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 91 L C 2.560 179.335 176.870 -0.158 0.000 1.071 91 L CA 2.295 57.113 54.840 -0.037 0.000 0.745 91 L CB -1.403 40.645 42.059 -0.019 0.000 0.892 91 L HN 0.366 nan 8.230 nan 0.000 0.431 92 E N -1.016 119.063 120.200 -0.202 0.000 2.070 92 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 92 E C 1.649 178.022 176.600 -0.379 0.000 1.004 92 E CA 1.389 57.601 56.400 -0.313 0.000 0.805 92 E CB -0.047 29.396 29.700 -0.428 0.000 0.744 92 E HN 0.579 nan 8.360 nan 0.000 0.451 93 H N -0.982 117.983 119.070 -0.176 0.000 2.543 93 H HA 0.140 4.696 4.556 -0.000 0.000 0.269 93 H C 0.938 176.106 175.328 -0.266 0.000 1.005 93 H CA 0.730 56.676 56.048 -0.169 0.000 1.146 93 H CB 0.350 30.028 29.762 -0.139 0.000 1.353 93 H HN 0.398 nan 8.280 nan 0.000 0.595 94 G N 1.840 110.483 108.800 -0.262 0.000 2.323 94 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.292 94 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.292 94 G C 1.071 175.617 174.900 -0.589 0.000 1.040 94 G CA 0.503 45.421 45.100 -0.303 0.000 0.942 94 G HN 0.414 nan 8.290 nan 0.000 0.506 95 M N -0.521 118.403 119.600 -1.127 0.000 2.700 95 M HA -0.037 4.443 4.480 -0.000 0.000 0.249 95 M C 2.504 178.074 176.300 -1.216 0.000 1.082 95 M CA 1.764 55.932 55.300 -1.886 0.000 1.077 95 M CB -0.316 30.941 32.600 -2.237 0.000 1.477 95 M HN 0.654 nan 8.290 nan 0.000 0.529 96 K N 0.639 120.604 120.400 -0.724 0.000 2.288 96 K HA -0.053 4.267 4.320 -0.000 0.000 0.201 96 K C 1.479 178.044 176.600 -0.059 0.000 1.048 96 K CA 1.479 57.647 56.287 -0.199 0.000 0.956 96 K CB -0.506 31.959 32.500 -0.057 0.000 0.746 96 K HN 0.408 nan 8.250 nan 0.000 0.461 97 V N -2.540 117.339 119.914 -0.058 0.000 3.406 97 V HA 0.114 4.233 4.120 -0.000 0.000 0.263 97 V C 0.354 176.597 176.094 0.249 0.000 1.172 97 V CA -0.621 61.737 62.300 0.098 0.000 1.140 97 V CB -0.854 31.035 31.823 0.111 0.000 0.784 97 V HN 0.193 nan 8.190 nan 0.000 0.467 98 W N 2.007 123.282 121.300 -0.041 0.000 2.150 98 W HA 0.478 5.138 4.660 -0.000 0.000 0.341 98 W C -2.089 174.440 176.519 0.017 0.000 1.276 98 W CA -2.912 54.423 57.345 -0.018 0.000 1.238 98 W CB -0.801 28.640 29.460 -0.031 0.000 1.128 98 W HN 0.072 nan 8.180 nan 0.000 0.581 99 P HA -0.055 nan 4.420 nan 0.000 0.267 99 P C -0.315 177.095 177.300 0.183 0.000 1.209 99 P CA 0.323 63.519 63.100 0.160 0.000 0.763 99 P CB 0.770 32.533 31.700 0.106 0.000 0.816 100 Q N 3.763 123.652 119.800 0.149 0.000 2.260 100 Q HA 0.391 4.731 4.340 -0.000 0.000 0.242 100 Q C -1.562 174.506 176.000 0.114 0.000 0.932 100 Q CA -1.534 54.356 55.803 0.145 0.000 0.891 100 Q CB -0.040 28.770 28.738 0.120 0.000 1.222 100 Q HN 0.485 nan 8.270 nan 0.000 0.453 101 P HA 0.264 nan 4.420 nan 0.000 0.281 101 P C -0.791 176.612 177.300 0.172 0.000 1.249 101 P CA -0.512 62.661 63.100 0.123 0.000 0.810 101 P CB 0.918 32.672 31.700 0.089 0.000 1.008 102 V N 3.501 123.540 119.914 0.208 0.000 2.334 102 V HA 0.245 4.365 4.120 -0.000 0.000 0.267 102 V C 0.908 177.117 176.094 0.193 0.000 1.040 102 V CA -0.427 62.037 62.300 0.273 0.000 0.866 102 V CB -0.040 32.011 31.823 0.379 0.000 1.019 102 V HN 0.467 nan 8.190 nan 0.000 0.468 103 R N 5.516 126.137 120.500 0.201 0.000 2.265 103 R HA 0.736 5.076 4.340 -0.000 0.000 0.319 103 R C -1.011 175.411 176.300 0.203 0.000 1.006 103 R CA -0.409 55.789 56.100 0.162 0.000 0.880 103 R CB 1.170 31.642 30.300 0.286 0.000 1.077 103 R HN 0.578 nan 8.270 nan 0.000 0.454 104 L N 3.470 124.759 121.223 0.111 0.000 2.388 104 L HA 0.659 4.999 4.340 -0.000 0.000 0.264 104 L C -0.707 176.297 176.870 0.225 0.000 0.998 104 L CA -0.948 53.989 54.840 0.162 0.000 0.817 104 L CB 1.818 43.925 42.059 0.080 0.000 1.338 104 L HN 0.680 nan 8.230 nan 0.000 0.414 105 W N 3.518 124.854 121.300 0.059 0.000 3.075 105 W HA 0.797 5.457 4.660 -0.000 0.000 0.334 105 W C -1.658 174.875 176.519 0.023 0.000 1.243 105 W CA -1.039 56.337 57.345 0.053 0.000 1.170 105 W CB 1.828 31.369 29.460 0.136 0.000 1.452 105 W HN 0.662 nan 8.180 nan 0.000 0.572 106 M N 1.866 121.331 119.600 -0.225 0.000 3.069 106 M HA 0.806 5.286 4.480 -0.000 0.000 0.274 106 M C -2.145 174.069 176.300 -0.145 0.000 1.146 106 M CA -0.666 54.293 55.300 -0.569 0.000 0.807 106 M CB 1.775 34.162 32.600 -0.355 0.000 1.621 106 M HN 0.854 nan 8.290 nan 0.000 0.521 107 A N 0.442 123.168 122.820 -0.156 0.000 2.437 107 A HA 0.986 5.306 4.320 -0.000 0.000 0.293 107 A C -0.564 177.004 177.584 -0.025 0.000 1.038 107 A CA 0.096 52.128 52.037 -0.009 0.000 0.708 107 A CB 1.458 20.529 19.000 0.118 0.000 1.251 107 A HN 1.735 nan 8.150 nan 0.000 0.409 108 G N 1.319 110.113 108.800 -0.010 0.000 2.548 108 G HA2 0.780 4.739 3.960 -0.000 0.000 0.301 108 G HA3 0.780 4.739 3.960 -0.000 0.000 0.301 108 G C -3.499 171.352 174.900 -0.082 0.000 1.349 108 G CA -0.830 44.274 45.100 0.006 0.000 0.792 108 G HN 0.555 nan 8.290 nan 0.000 0.481 109 P HA 0.496 nan 4.420 nan 0.000 0.282 109 P C -0.936 175.707 177.300 -1.095 0.000 1.249 109 P CA -0.258 62.369 63.100 -0.789 0.000 0.806 109 P CB 1.592 32.916 31.700 -0.627 0.000 0.984 110 M N 2.324 121.009 119.600 -1.525 0.000 2.530 110 M HA 0.469 4.949 4.480 -0.000 0.000 0.307 110 M C -0.824 174.406 176.300 -1.783 0.000 1.161 110 M CA -0.519 53.854 55.300 -1.545 0.000 0.903 110 M CB 1.585 33.400 32.600 -1.308 0.000 1.711 110 M HN 0.215 nan 8.290 nan 0.000 0.451 111 F N 1.052 120.786 119.950 -0.360 0.000 2.507 111 F HA 0.649 5.176 4.527 -0.000 0.000 0.328 111 F C -0.057 175.819 175.800 0.125 0.000 1.136 111 F CA -0.765 57.233 58.000 -0.003 0.000 0.930 111 F CB 1.423 40.544 39.000 0.201 0.000 1.166 111 F HN 0.424 nan 8.300 nan 0.000 0.436 112 R N 1.569 122.289 120.500 0.367 0.000 2.476 112 R HA 0.681 5.021 4.340 -0.000 0.000 0.305 112 R C -0.343 175.901 176.300 -0.094 0.000 0.965 112 R CA -0.609 55.568 56.100 0.129 0.000 0.867 112 R CB 1.804 32.257 30.300 0.253 0.000 1.176 112 R HN 0.774 nan 8.270 nan 0.000 0.447 113 A N 4.530 126.968 122.820 -0.637 0.000 3.051 113 A HA 0.074 4.394 4.320 -0.000 0.000 0.257 113 A C -0.176 177.268 177.584 -0.233 0.000 1.785 113 A CA -0.036 51.529 52.037 -0.786 0.000 1.420 113 A CB -0.711 17.594 19.000 -1.158 0.000 1.063 113 A HN 0.728 nan 8.150 nan 0.000 0.630 114 E N 0.235 120.401 120.200 -0.056 0.000 2.244 114 E HA 0.481 4.831 4.350 -0.000 0.000 0.266 114 E C -0.859 175.772 176.600 0.052 0.000 0.914 114 E CA -1.185 55.211 56.400 -0.007 0.000 0.794 114 E CB 1.084 30.778 29.700 -0.009 0.000 1.210 114 E HN 0.383 nan 8.360 nan 0.000 0.414 115 R N 2.225 122.749 120.500 0.041 0.000 2.446 115 R HA 0.145 4.485 4.340 -0.000 0.000 0.314 115 R C -2.028 174.315 176.300 0.073 0.000 1.003 115 R CA -1.139 54.997 56.100 0.060 0.000 1.018 115 R CB -0.529 29.796 30.300 0.042 0.000 0.945 115 R HN 0.397 nan 8.270 nan 0.000 0.419 116 P HA 0.001 nan 4.420 nan 0.000 0.272 116 P C -0.841 176.522 177.300 0.105 0.000 1.223 116 P CA -0.276 62.902 63.100 0.131 0.000 0.784 116 P CB 0.814 32.618 31.700 0.173 0.000 0.923 117 Q N -0.911 118.957 119.800 0.113 0.000 2.832 117 Q HA 0.384 4.723 4.340 -0.000 0.000 0.322 117 Q C -1.136 174.925 176.000 0.102 0.000 0.842 117 Q CA -1.225 54.631 55.803 0.088 0.000 0.780 117 Q CB 0.651 29.418 28.738 0.048 0.000 1.411 117 Q HN 0.040 nan 8.270 nan 0.000 0.490 118 K N 0.153 120.598 120.400 0.076 0.000 2.361 118 K HA 0.256 4.576 4.320 -0.000 0.000 0.283 118 K C 0.503 177.095 176.600 -0.013 0.000 1.078 118 K CA 1.594 57.924 56.287 0.072 0.000 1.041 118 K CB -0.288 32.247 32.500 0.059 0.000 0.932 118 K HN 0.814 nan 8.250 nan 0.000 0.462 119 G N 3.465 112.202 108.800 -0.105 0.000 2.307 119 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.210 119 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.210 119 G C -0.040 174.570 174.900 -0.483 0.000 1.005 119 G CA -0.603 44.301 45.100 -0.327 0.000 0.634 119 G HN 0.554 nan 8.290 nan 0.000 0.496 120 R N 0.936 121.295 120.500 -0.237 0.000 2.233 120 R HA 0.548 4.888 4.340 -0.000 0.000 0.334 120 R C -0.839 175.527 176.300 0.110 0.000 1.037 120 R CA -0.445 55.563 56.100 -0.154 0.000 0.920 120 R CB 0.467 30.730 30.300 -0.062 0.000 1.137 120 R HN 0.237 nan 8.270 nan 0.000 0.492 121 Y N 0.728 121.059 120.300 0.052 0.000 2.453 121 Y HA 0.307 4.857 4.550 -0.000 0.000 0.326 121 Y C 1.522 177.587 175.900 0.275 0.000 1.186 121 Y CA -1.730 56.471 58.100 0.169 0.000 1.200 121 Y CB 0.999 39.593 38.460 0.223 0.000 1.247 121 Y HN 0.303 nan 8.280 nan 0.000 0.482 122 R N -0.130 120.643 120.500 0.455 0.000 2.161 122 R HA 0.019 4.358 4.340 -0.000 0.000 0.213 122 R C 0.023 176.619 176.300 0.494 0.000 1.055 122 R CA 0.648 57.028 56.100 0.466 0.000 0.996 122 R CB 0.375 30.938 30.300 0.438 0.000 0.901 122 R HN 0.621 nan 8.270 nan 0.000 0.456 123 Q N 0.536 120.569 119.800 0.388 0.000 2.303 123 Q HA 0.270 4.610 4.340 -0.000 0.000 0.267 123 Q C -1.490 174.599 176.000 0.148 0.000 1.011 123 Q CA -0.714 55.172 55.803 0.138 0.000 0.740 123 Q CB 0.999 29.837 28.738 0.168 0.000 1.250 123 Q HN 0.013 nan 8.270 nan 0.000 0.458 124 F N -0.120 119.760 119.950 -0.117 0.000 2.679 124 F HA 0.702 5.228 4.527 -0.000 0.000 0.341 124 F C -1.175 174.408 175.800 -0.362 0.000 1.095 124 F CA -1.183 56.799 58.000 -0.030 0.000 1.004 124 F CB 1.036 40.059 39.000 0.038 0.000 1.388 124 F HN 0.411 nan 8.300 nan 0.000 0.505 125 H N -0.437 118.732 119.070 0.165 0.000 2.679 125 H HA 0.548 5.104 4.556 -0.000 0.000 0.360 125 H C -1.230 174.125 175.328 0.046 0.000 1.105 125 H CA -0.797 55.255 56.048 0.007 0.000 1.196 125 H CB 1.930 31.723 29.762 0.051 0.000 1.636 125 H HN 0.685 nan 8.280 nan 0.000 0.531 126 Q N 0.990 120.822 119.800 0.054 0.000 2.389 126 Q HA 0.656 4.996 4.340 -0.000 0.000 0.277 126 Q C -1.687 174.202 176.000 -0.184 0.000 1.082 126 Q CA -1.206 54.563 55.803 -0.058 0.000 0.810 126 Q CB 2.202 30.964 28.738 0.040 0.000 1.374 126 Q HN 0.346 nan 8.270 nan 0.000 0.422 127 V N 2.273 121.895 119.914 -0.486 0.000 2.465 127 V HA 0.335 4.455 4.120 -0.000 0.000 0.279 127 V C -0.571 175.373 176.094 -0.249 0.000 1.045 127 V CA -0.424 61.650 62.300 -0.377 0.000 0.938 127 V CB 1.058 32.468 31.823 -0.688 0.000 0.986 127 V HN 0.865 nan 8.190 nan 0.000 0.467 128 N N 2.920 121.577 118.700 -0.072 0.000 2.354 128 N HA 0.493 5.233 4.740 -0.000 0.000 0.287 128 N C -1.543 173.935 175.510 -0.053 0.000 1.016 128 N CA -0.565 52.422 53.050 -0.105 0.000 0.871 128 N CB 1.423 39.868 38.487 -0.070 0.000 1.299 128 N HN 0.638 nan 8.380 nan 0.000 0.482 129 Y N 2.040 122.071 120.300 -0.448 0.000 2.429 129 Y HA 0.654 5.204 4.550 -0.000 0.000 0.342 129 Y C -1.090 174.739 175.900 -0.118 0.000 1.004 129 Y CA -0.646 57.264 58.100 -0.317 0.000 1.075 129 Y CB 1.634 39.694 38.460 -0.667 0.000 1.214 129 Y HN 0.495 nan 8.280 nan 0.000 0.455 130 E N 2.802 122.472 120.200 -0.884 0.000 2.331 130 E HA 0.780 5.130 4.350 -0.000 0.000 0.275 130 E C -1.776 174.420 176.600 -0.673 0.000 0.895 130 E CA -0.668 55.389 56.400 -0.572 0.000 0.753 130 E CB 2.105 31.683 29.700 -0.204 0.000 1.216 130 E HN 0.713 nan 8.360 nan 0.000 0.434 131 A N 3.869 126.490 122.820 -0.332 0.000 2.466 131 A HA 0.632 4.952 4.320 -0.000 0.000 0.291 131 A C -1.339 176.187 177.584 -0.097 0.000 1.234 131 A CA -0.500 51.452 52.037 -0.143 0.000 0.752 131 A CB 0.055 19.055 19.000 0.000 0.000 1.153 131 A HN 0.464 nan 8.150 nan 0.000 0.458 132 L N 1.313 122.478 121.223 -0.096 0.000 2.331 132 L HA 0.792 5.131 4.340 -0.000 0.000 0.275 132 L C 1.261 178.041 176.870 -0.150 0.000 1.022 132 L CA 0.102 54.809 54.840 -0.222 0.000 0.812 132 L CB 1.872 43.646 42.059 -0.476 0.000 1.257 132 L HN 1.141 nan 8.230 nan 0.000 0.435 133 G N 0.874 109.551 108.800 -0.206 0.000 2.163 133 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.213 133 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.213 133 G C -0.022 174.862 174.900 -0.026 0.000 0.991 133 G CA 0.115 45.174 45.100 -0.069 0.000 0.653 133 G HN 0.710 nan 8.290 nan 0.000 0.518 134 S N -1.143 114.531 115.700 -0.044 0.000 2.537 134 S HA 0.584 5.054 4.470 -0.000 0.000 0.270 134 S C 0.302 174.898 174.600 -0.006 0.000 1.142 134 S CA 0.582 58.778 58.200 -0.007 0.000 0.870 134 S CB 1.888 65.102 63.200 0.024 0.000 1.112 134 S HN 0.413 nan 8.310 nan 0.000 0.466 135 E N 2.623 122.839 120.200 0.026 0.000 2.447 135 E HA 0.170 4.520 4.350 -0.000 0.000 0.195 135 E C 0.426 177.138 176.600 0.187 0.000 1.028 135 E CA 0.163 56.605 56.400 0.070 0.000 0.876 135 E CB 0.068 29.796 29.700 0.047 0.000 0.885 135 E HN 0.573 nan 8.360 nan 0.000 0.500 136 N N 2.187 120.954 118.700 0.111 0.000 2.315 136 N HA -0.071 4.669 4.740 -0.000 0.000 0.270 136 N C -1.655 173.896 175.510 0.069 0.000 1.329 136 N CA -0.557 52.543 53.050 0.084 0.000 0.860 136 N CB 1.056 39.571 38.487 0.046 0.000 1.095 136 N HN 0.105 nan 8.380 nan 0.000 0.487 137 P HA -0.138 nan 4.420 nan 0.000 0.226 137 P C 1.520 178.819 177.300 -0.002 0.000 1.146 137 P CA 0.864 63.819 63.100 -0.242 0.000 0.773 137 P CB 0.289 31.604 31.700 -0.642 0.000 0.772 138 I N -0.533 120.040 120.570 0.004 0.000 2.252 138 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 138 I C 2.543 178.636 176.117 -0.041 0.000 1.102 138 I CA 1.157 62.388 61.300 -0.115 0.000 1.385 138 I CB -0.555 37.335 38.000 -0.184 0.000 1.064 138 I HN -0.109 nan 8.210 nan 0.000 0.414 139 L N 0.296 121.536 121.223 0.028 0.000 2.083 139 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 139 L C 1.954 178.899 176.870 0.125 0.000 1.083 139 L CA 1.432 56.328 54.840 0.093 0.000 0.752 139 L CB -0.820 41.303 42.059 0.107 0.000 0.899 139 L HN 0.251 nan 8.230 nan 0.000 0.433 140 D N 0.439 120.903 120.400 0.107 0.000 2.117 140 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 140 D C 2.281 178.567 176.300 -0.024 0.000 0.982 140 D CA 1.383 55.450 54.000 0.112 0.000 0.828 140 D CB -0.104 40.786 40.800 0.151 0.000 0.967 140 D HN 0.300 nan 8.370 nan 0.000 0.464 141 A N 0.688 123.488 122.820 -0.035 0.000 1.877 141 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 141 A C 2.103 179.616 177.584 -0.117 0.000 1.186 141 A CA 1.754 53.732 52.037 -0.099 0.000 0.620 141 A CB -0.721 18.270 19.000 -0.015 0.000 0.822 141 A HN 0.252 nan 8.150 nan 0.000 0.443 142 E N -0.101 120.067 120.200 -0.052 0.000 2.070 142 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 142 E C 2.170 178.767 176.600 -0.005 0.000 1.004 142 E CA 1.270 57.655 56.400 -0.025 0.000 0.805 142 E CB -0.302 29.420 29.700 0.036 0.000 0.744 142 E HN 0.531 nan 8.360 nan 0.000 0.451 143 A N 0.484 123.373 122.820 0.115 0.000 1.873 143 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 143 A C 2.445 179.975 177.584 -0.089 0.000 1.193 143 A CA 1.936 54.146 52.037 0.289 0.000 0.629 143 A CB -0.926 18.389 19.000 0.525 0.000 0.826 143 A HN 0.247 nan 8.150 nan 0.000 0.447 144 V N -0.277 119.368 119.914 -0.448 0.000 2.343 144 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 144 V C 2.567 178.465 176.094 -0.327 0.000 1.051 144 V CA 1.987 63.887 62.300 -0.667 0.000 1.036 144 V CB -0.928 30.446 31.823 -0.747 0.000 0.654 144 V HN 0.390 nan 8.190 nan 0.000 0.451 145 V N -0.198 119.584 119.914 -0.220 0.000 2.295 145 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 145 V C 2.330 178.372 176.094 -0.086 0.000 1.049 145 V CA 1.914 64.150 62.300 -0.108 0.000 1.024 145 V CB -0.637 31.134 31.823 -0.087 0.000 0.648 145 V HN 0.427 nan 8.190 nan 0.000 0.447 146 L N -0.675 120.461 121.223 -0.145 0.000 2.012 146 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 146 L C 2.525 179.247 176.870 -0.246 0.000 1.073 146 L CA 1.489 56.239 54.840 -0.150 0.000 0.748 146 L CB -0.702 41.269 42.059 -0.147 0.000 0.891 146 L HN 0.353 nan 8.230 nan 0.000 0.431 147 L N -0.862 119.980 121.223 -0.636 0.000 2.012 147 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 147 L C 2.488 179.160 176.870 -0.330 0.000 1.073 147 L CA 1.838 56.180 54.840 -0.829 0.000 0.748 147 L CB -0.907 40.500 42.059 -1.087 0.000 0.891 147 L HN 0.173 nan 8.230 nan 0.000 0.431 148 Y N 0.467 120.580 120.300 -0.313 0.000 2.128 148 Y HA -0.237 4.313 4.550 -0.000 0.000 0.284 148 Y C 2.510 178.300 175.900 -0.182 0.000 1.154 148 Y CA 2.154 60.133 58.100 -0.202 0.000 1.149 148 Y CB -0.136 38.231 38.460 -0.155 0.000 0.976 148 Y HN 0.294 nan 8.280 nan 0.000 0.505 149 E N -0.584 119.529 120.200 -0.146 0.000 2.077 149 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 149 E C 2.472 178.937 176.600 -0.225 0.000 0.989 149 E CA 1.343 57.632 56.400 -0.185 0.000 0.800 149 E CB -0.920 28.727 29.700 -0.088 0.000 0.746 149 E HN 0.535 nan 8.360 nan 0.000 0.452 150 C N 0.607 119.784 119.300 -0.205 0.000 2.398 150 C HA -0.137 4.323 4.460 -0.000 0.000 0.276 150 C C 2.826 177.623 174.990 -0.321 0.000 1.222 150 C CA 0.643 59.541 59.018 -0.199 0.000 1.746 150 C CB -1.229 26.442 27.740 -0.115 0.000 2.039 150 C HN 0.361 nan 8.230 nan 0.000 0.470 151 L N 0.239 121.210 121.223 -0.421 0.000 2.156 151 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 151 L C 2.548 179.189 176.870 -0.382 0.000 1.095 151 L CA 1.119 55.701 54.840 -0.430 0.000 0.770 151 L CB -0.634 41.174 42.059 -0.418 0.000 0.914 151 L HN 0.197 nan 8.230 nan 0.000 0.439 152 K N 0.470 120.613 120.400 -0.428 0.000 2.025 152 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 152 K C 2.104 178.548 176.600 -0.260 0.000 1.049 152 K CA 1.222 57.275 56.287 -0.391 0.000 0.933 152 K CB -0.065 32.143 32.500 -0.486 0.000 0.714 152 K HN 0.104 nan 8.250 nan 0.000 0.438 153 E N 0.417 120.482 120.200 -0.226 0.000 2.160 153 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 153 E C 1.883 178.373 176.600 -0.184 0.000 0.991 153 E CA 0.982 57.283 56.400 -0.165 0.000 0.810 153 E CB -0.154 29.465 29.700 -0.135 0.000 0.742 153 E HN 0.353 nan 8.360 nan 0.000 0.466 154 L N -0.535 120.540 121.223 -0.248 0.000 2.456 154 L HA -0.066 4.274 4.340 -0.000 0.000 0.224 154 L C 1.666 178.240 176.870 -0.494 0.000 1.148 154 L CA 0.824 55.475 54.840 -0.316 0.000 0.825 154 L CB -0.282 41.578 42.059 -0.332 0.000 0.937 154 L HN 0.301 nan 8.230 nan 0.000 0.450 155 G N -0.552 108.016 108.800 -0.386 0.000 2.201 155 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.212 155 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.212 155 G C 0.257 174.999 174.900 -0.263 0.000 0.994 155 G CA -0.480 44.411 45.100 -0.348 0.000 0.644 155 G HN 0.143 nan 8.290 nan 0.000 0.508 156 L N 0.671 121.695 121.223 -0.332 0.000 2.490 156 L HA 0.351 4.691 4.340 -0.000 0.000 0.274 156 L C 1.819 178.654 176.870 -0.058 0.000 1.201 156 L CA -0.102 54.647 54.840 -0.151 0.000 0.869 156 L CB 0.547 42.490 42.059 -0.193 0.000 1.123 156 L HN 0.144 nan 8.230 nan 0.000 0.484 157 R N 1.926 122.457 120.500 0.052 0.000 2.350 157 R HA 0.129 4.469 4.340 -0.000 0.000 0.199 157 R C 0.531 176.866 176.300 0.057 0.000 0.876 157 R CA 0.087 56.213 56.100 0.044 0.000 1.062 157 R CB 0.216 30.561 30.300 0.075 0.000 1.263 157 R HN 0.447 nan 8.270 nan 0.000 0.641 158 R N 1.895 122.449 120.500 0.090 0.000 4.138 158 R HA 0.223 4.563 4.340 -0.000 0.000 0.206 158 R C -0.579 175.740 176.300 0.033 0.000 1.667 158 R CA 0.117 56.236 56.100 0.032 0.000 1.481 158 R CB -0.041 30.233 30.300 -0.043 0.000 1.388 158 R HN -0.148 nan 8.270 nan 0.000 0.776 159 L N 0.851 122.120 121.223 0.077 0.000 2.334 159 L HA 0.517 4.857 4.340 -0.000 0.000 0.270 159 L C 0.167 177.107 176.870 0.117 0.000 1.018 159 L CA -0.760 54.148 54.840 0.113 0.000 0.811 159 L CB 1.281 43.409 42.059 0.115 0.000 1.271 159 L HN 0.176 nan 8.230 nan 0.000 0.443 160 K N 1.985 122.465 120.400 0.132 0.000 2.621 160 K HA 0.398 4.718 4.320 -0.000 0.000 0.233 160 K C -1.017 175.672 176.600 0.147 0.000 0.972 160 K CA -0.467 55.883 56.287 0.105 0.000 0.988 160 K CB 1.883 34.413 32.500 0.049 0.000 1.187 160 K HN 0.253 nan 8.250 nan 0.000 0.471 161 V N 3.005 123.007 119.914 0.146 0.000 2.614 161 V HA 0.225 4.345 4.120 -0.000 0.000 0.291 161 V C 0.328 176.511 176.094 0.149 0.000 1.049 161 V CA -0.236 62.161 62.300 0.162 0.000 1.038 161 V CB 0.523 32.407 31.823 0.103 0.000 0.980 161 V HN 0.445 nan 8.190 nan 0.000 0.481 162 K N 4.658 125.162 120.400 0.173 0.000 2.502 162 K HA 0.584 4.904 4.320 -0.000 0.000 0.254 162 K C -1.233 175.471 176.600 0.173 0.000 0.947 162 K CA -0.721 55.648 56.287 0.138 0.000 0.834 162 K CB 2.145 34.678 32.500 0.055 0.000 1.112 162 K HN 0.425 nan 8.250 nan 0.000 0.427 163 L N 1.260 122.583 121.223 0.166 0.000 2.334 163 L HA 0.676 5.016 4.340 -0.000 0.000 0.272 163 L C -0.363 176.568 176.870 0.102 0.000 1.020 163 L CA 0.238 55.151 54.840 0.121 0.000 0.812 163 L CB 1.894 43.932 42.059 -0.036 0.000 1.264 163 L HN 0.736 nan 8.230 nan 0.000 0.439 164 S N 1.375 117.126 115.700 0.085 0.000 2.680 164 S HA 0.739 5.209 4.470 -0.000 0.000 0.276 164 S C -1.720 172.912 174.600 0.054 0.000 1.189 164 S CA 0.026 58.259 58.200 0.055 0.000 0.909 164 S CB 0.542 63.761 63.200 0.032 0.000 1.227 164 S HN 1.068 nan 8.310 nan 0.000 0.501 165 S N -0.370 115.347 115.700 0.029 0.000 2.547 165 S HA 0.535 5.005 4.470 -0.000 0.000 0.270 165 S C -0.233 174.368 174.600 0.002 0.000 1.150 165 S CA 0.101 58.321 58.200 0.033 0.000 0.850 165 S CB 1.281 64.508 63.200 0.045 0.000 1.118 165 S HN 1.716 nan 8.310 nan 0.000 0.461 166 V N 1.358 121.280 119.914 0.014 0.000 3.427 166 V HA 0.717 4.837 4.120 -0.000 0.000 0.305 166 V C 1.215 177.318 176.094 0.015 0.000 1.412 166 V CA 0.838 63.140 62.300 0.004 0.000 1.086 166 V CB -0.814 31.029 31.823 0.033 0.000 0.964 166 V HN 1.813 nan 8.190 nan 0.000 0.439 167 G N 1.011 109.822 108.800 0.018 0.000 2.525 167 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.248 167 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.248 167 G C -0.654 174.259 174.900 0.021 0.000 1.238 167 G CA 0.346 45.459 45.100 0.020 0.000 0.926 167 G HN 0.560 nan 8.290 nan 0.000 0.574 168 D N 1.177 121.593 120.400 0.027 0.000 2.467 168 D HA 0.503 5.143 4.640 -0.000 0.000 0.245 168 D C -1.171 175.154 176.300 0.042 0.000 1.038 168 D CA -0.573 53.440 54.000 0.022 0.000 1.038 168 D CB 1.924 42.731 40.800 0.013 0.000 1.278 168 D HN 0.176 nan 8.370 nan 0.000 0.564 169 P HA -0.161 nan 4.420 nan 0.000 0.216 169 P C 0.682 178.014 177.300 0.054 0.000 1.150 169 P CA 1.495 64.623 63.100 0.047 0.000 0.837 169 P CB 0.582 32.303 31.700 0.037 0.000 0.786 170 E N 0.312 120.542 120.200 0.050 0.000 2.028 170 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 170 E C 1.936 178.586 176.600 0.083 0.000 0.988 170 E CA 1.348 57.784 56.400 0.059 0.000 0.799 170 E CB -0.900 28.829 29.700 0.048 0.000 0.755 170 E HN 0.278 nan 8.360 nan 0.000 0.447 171 D N 0.237 120.688 120.400 0.084 0.000 2.123 171 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 171 D C 1.935 178.317 176.300 0.137 0.000 0.992 171 D CA 0.952 55.022 54.000 0.117 0.000 0.833 171 D CB -0.269 40.583 40.800 0.087 0.000 0.954 171 D HN 0.072 nan 8.370 nan 0.000 0.455 172 R N 0.760 121.323 120.500 0.105 0.000 2.083 172 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 172 R C 2.192 178.565 176.300 0.122 0.000 1.137 172 R CA 1.589 57.758 56.100 0.115 0.000 0.951 172 R CB -0.169 30.184 30.300 0.088 0.000 0.851 172 R HN 0.132 nan 8.270 nan 0.000 0.434 173 A N 1.015 123.895 122.820 0.099 0.000 1.877 173 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 173 A C 2.179 179.828 177.584 0.109 0.000 1.186 173 A CA 1.514 53.602 52.037 0.085 0.000 0.620 173 A CB -0.466 18.576 19.000 0.070 0.000 0.822 173 A HN 0.365 nan 8.150 nan 0.000 0.443 174 R N -2.252 118.338 120.500 0.151 0.000 2.081 174 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 174 R C 2.171 178.622 176.300 0.252 0.000 1.131 174 R CA 1.680 57.908 56.100 0.213 0.000 0.960 174 R CB -0.527 29.929 30.300 0.259 0.000 0.856 174 R HN 0.659 nan 8.270 nan 0.000 0.436 175 Y N 2.163 122.465 120.300 0.004 0.000 2.200 175 Y HA -0.171 4.379 4.550 -0.000 0.000 0.290 175 Y C 1.879 177.731 175.900 -0.080 0.000 1.137 175 Y CA 1.136 59.063 58.100 -0.288 0.000 1.163 175 Y CB -0.339 37.891 38.460 -0.383 0.000 0.988 175 Y HN 0.020 nan 8.280 nan 0.000 0.518 176 N N 0.377 119.049 118.700 -0.046 0.000 2.043 176 N HA -0.199 4.540 4.740 -0.000 0.000 0.193 176 N C 2.055 177.512 175.510 -0.088 0.000 1.037 176 N CA 1.650 54.632 53.050 -0.113 0.000 0.851 176 N CB -0.804 37.667 38.487 -0.026 0.000 1.027 176 N HN 0.467 nan 8.380 nan 0.000 0.422 177 A N 0.652 123.475 122.820 0.005 0.000 1.892 177 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 177 A C 2.194 179.798 177.584 0.034 0.000 1.188 177 A CA 1.593 53.648 52.037 0.030 0.000 0.631 177 A CB -1.203 17.846 19.000 0.081 0.000 0.822 177 A HN 0.497 nan 8.150 nan 0.000 0.447 178 Y N 0.588 120.857 120.300 -0.051 0.000 2.097 178 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 178 Y C 1.936 177.755 175.900 -0.135 0.000 1.152 178 Y CA 2.048 60.129 58.100 -0.032 0.000 1.136 178 Y CB -0.515 37.958 38.460 0.022 0.000 0.975 178 Y HN 0.211 nan 8.280 nan 0.000 0.498 179 L N 0.081 121.046 121.223 -0.430 0.000 2.042 179 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 179 L C 2.723 179.394 176.870 -0.331 0.000 1.076 179 L CA 1.741 56.269 54.840 -0.519 0.000 0.749 179 L CB -0.567 41.214 42.059 -0.464 0.000 0.893 179 L HN 0.213 nan 8.230 nan 0.000 0.432 180 R N 0.053 120.425 120.500 -0.213 0.000 2.073 180 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 180 R C 2.201 178.427 176.300 -0.124 0.000 1.134 180 R CA 1.663 57.683 56.100 -0.133 0.000 0.952 180 R CB -0.365 29.886 30.300 -0.082 0.000 0.850 180 R HN 0.465 nan 8.270 nan 0.000 0.433 181 E N 0.131 120.256 120.200 -0.124 0.000 2.110 181 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 181 E C 2.001 178.533 176.600 -0.113 0.000 0.988 181 E CA 1.417 57.763 56.400 -0.090 0.000 0.804 181 E CB 0.017 29.691 29.700 -0.043 0.000 0.745 181 E HN 0.125 nan 8.360 nan 0.000 0.458 182 V N 0.924 120.703 119.914 -0.226 0.000 2.488 182 V HA -0.162 3.957 4.120 -0.000 0.000 0.246 182 V C 2.115 178.185 176.094 -0.040 0.000 1.046 182 V CA 1.229 63.419 62.300 -0.184 0.000 1.053 182 V CB -0.259 31.309 31.823 -0.424 0.000 0.679 182 V HN 0.214 nan 8.190 nan 0.000 0.458 183 L N 0.544 121.708 121.223 -0.098 0.000 2.202 183 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 183 L C 2.780 179.655 176.870 0.009 0.000 1.083 183 L CA 1.221 56.046 54.840 -0.024 0.000 0.790 183 L CB -0.697 41.310 42.059 -0.086 0.000 0.942 183 L HN 0.491 nan 8.230 nan 0.000 0.452 184 S N 0.716 116.392 115.700 -0.039 0.000 2.372 184 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 184 S C -0.229 174.331 174.600 -0.067 0.000 1.044 184 S CA 1.361 59.534 58.200 -0.046 0.000 1.050 184 S CB -2.097 61.071 63.200 -0.054 0.000 0.901 184 S HN 0.310 nan 8.310 nan 0.000 0.447 185 P HA -0.040 nan 4.420 nan 0.000 0.226 185 P C 0.051 177.123 177.300 -0.379 0.000 1.153 185 P CA 1.247 64.197 63.100 -0.250 0.000 0.777 185 P CB -0.373 31.135 31.700 -0.321 0.000 0.794 186 H N -1.739 117.305 119.070 -0.043 0.000 2.592 186 H HA 0.293 4.849 4.556 -0.000 0.000 0.279 186 H C 2.029 177.334 175.328 -0.038 0.000 1.089 186 H CA -0.348 55.678 56.048 -0.038 0.000 1.150 186 H CB -0.028 29.710 29.762 -0.041 0.000 1.575 186 H HN -0.086 nan 8.280 nan 0.000 0.547 187 R N 1.483 121.999 120.500 0.027 0.000 2.153 187 R HA -0.213 4.127 4.340 -0.000 0.000 0.252 187 R C 1.025 177.330 176.300 0.008 0.000 1.158 187 R CA 1.853 57.956 56.100 0.006 0.000 0.975 187 R CB 0.052 30.341 30.300 -0.018 0.000 0.871 187 R HN 0.508 nan 8.270 nan 0.000 0.450 188 E N -0.818 119.387 120.200 0.008 0.000 2.333 188 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 188 E C 1.235 177.843 176.600 0.014 0.000 1.007 188 E CA 0.833 57.236 56.400 0.006 0.000 0.845 188 E CB 0.070 29.770 29.700 0.001 0.000 0.766 188 E HN 0.448 nan 8.360 nan 0.000 0.507 189 A N 0.648 123.485 122.820 0.028 0.000 2.345 189 A HA 0.184 4.504 4.320 -0.000 0.000 0.225 189 A C 0.666 178.255 177.584 0.008 0.000 1.243 189 A CA -0.154 51.896 52.037 0.022 0.000 0.875 189 A CB 0.069 19.089 19.000 0.034 0.000 0.929 189 A HN 0.024 nan 8.150 nan 0.000 0.502 190 L N 0.156 121.382 121.223 0.005 0.000 2.399 190 L HA 0.342 4.682 4.340 -0.000 0.000 0.265 190 L C 0.350 177.217 176.870 -0.006 0.000 1.089 190 L CA -0.634 54.203 54.840 -0.004 0.000 0.802 190 L CB 1.453 43.507 42.059 -0.009 0.000 1.180 190 L HN 0.039 nan 8.230 nan 0.000 0.454 191 S N 0.381 116.076 115.700 -0.008 0.000 2.576 191 S HA 0.027 4.496 4.470 -0.000 0.000 0.276 191 S C 0.800 175.396 174.600 -0.008 0.000 1.339 191 S CA -0.571 57.625 58.200 -0.007 0.000 1.039 191 S CB 1.360 64.555 63.200 -0.008 0.000 0.902 191 S HN 0.555 nan 8.310 nan 0.000 0.516 192 E N 1.942 122.138 120.200 -0.007 0.000 2.136 192 E HA -0.230 4.120 4.350 -0.000 0.000 0.202 192 E C 1.537 178.132 176.600 -0.009 0.000 1.019 192 E CA 1.768 58.164 56.400 -0.007 0.000 0.819 192 E CB -0.222 29.475 29.700 -0.005 0.000 0.739 192 E HN 0.763 nan 8.360 nan 0.000 0.458 193 D N -0.733 119.661 120.400 -0.009 0.000 2.092 193 D HA -0.120 4.520 4.640 -0.000 0.000 0.193 193 D C 1.735 178.027 176.300 -0.013 0.000 0.994 193 D CA 1.898 55.892 54.000 -0.010 0.000 0.828 193 D CB -0.186 40.608 40.800 -0.009 0.000 0.963 193 D HN 0.076 nan 8.370 nan 0.000 0.450 194 S N -0.193 115.498 115.700 -0.014 0.000 2.382 194 S HA -0.141 4.329 4.470 -0.000 0.000 0.228 194 S C 1.837 176.425 174.600 -0.021 0.000 1.027 194 S CA 0.928 59.117 58.200 -0.019 0.000 0.991 194 S CB -0.284 62.904 63.200 -0.019 0.000 0.823 194 S HN 0.330 nan 8.310 nan 0.000 0.469 195 K N 1.090 121.480 120.400 -0.017 0.000 2.152 195 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 195 K C 2.132 178.721 176.600 -0.018 0.000 1.048 195 K CA 1.384 57.660 56.287 -0.018 0.000 0.933 195 K CB -0.128 32.364 32.500 -0.013 0.000 0.721 195 K HN 0.512 nan 8.250 nan 0.000 0.447 196 E N 0.322 120.513 120.200 -0.016 0.000 2.051 196 E HA -0.101 4.249 4.350 -0.000 0.000 0.189 196 E C 2.032 178.622 176.600 -0.017 0.000 0.979 196 E CA 0.626 57.017 56.400 -0.015 0.000 0.803 196 E CB 0.002 29.695 29.700 -0.012 0.000 0.761 196 E HN 0.214 nan 8.360 nan 0.000 0.451 197 R N 0.596 121.084 120.500 -0.019 0.000 2.159 197 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 197 R C 2.306 178.588 176.300 -0.030 0.000 1.131 197 R CA 0.616 56.703 56.100 -0.022 0.000 0.982 197 R CB -0.306 29.980 30.300 -0.022 0.000 0.868 197 R HN 0.096 nan 8.270 nan 0.000 0.453 198 L N 1.315 122.517 121.223 -0.034 0.000 2.191 198 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 198 L C 1.895 178.742 176.870 -0.039 0.000 1.103 198 L CA 1.758 56.572 54.840 -0.044 0.000 0.769 198 L CB -0.196 41.837 42.059 -0.042 0.000 0.908 198 L HN 0.077 nan 8.230 nan 0.000 0.438 199 E N -0.010 120.174 120.200 -0.028 0.000 2.033 199 E HA -0.000 4.349 4.350 -0.000 0.000 0.189 199 E C 0.341 176.929 176.600 -0.018 0.000 0.979 199 E CA 0.791 57.178 56.400 -0.022 0.000 0.802 199 E CB 0.066 29.756 29.700 -0.016 0.000 0.763 199 E HN 0.557 nan 8.360 nan 0.000 0.449 200 E N 1.158 121.348 120.200 -0.016 0.000 2.216 200 E HA 0.186 4.536 4.350 -0.000 0.000 0.260 200 E C -1.002 175.592 176.600 -0.011 0.000 0.880 200 E CA -0.506 55.888 56.400 -0.010 0.000 0.765 200 E CB 1.148 30.846 29.700 -0.004 0.000 1.174 200 E HN 0.010 nan 8.360 nan 0.000 0.417 201 N N 3.324 122.018 118.700 -0.010 0.000 2.699 201 N HA -0.121 4.619 4.740 -0.000 0.000 0.257 201 N C -2.333 173.163 175.510 -0.023 0.000 1.077 201 N CA -0.022 53.024 53.050 -0.007 0.000 0.702 201 N CB -0.456 38.034 38.487 0.005 0.000 0.886 201 N HN 0.341 nan 8.380 nan 0.000 0.549 202 P HA -0.180 nan 4.420 nan 0.000 0.218 202 P C 1.729 178.982 177.300 -0.077 0.000 1.146 202 P CA 1.260 64.314 63.100 -0.077 0.000 0.813 202 P CB 0.043 31.670 31.700 -0.122 0.000 0.778 203 M N -1.397 118.168 119.600 -0.058 0.000 2.192 203 M HA -0.276 4.204 4.480 -0.000 0.000 0.256 203 M C 2.070 178.375 176.300 0.007 0.000 1.076 203 M CA 1.896 57.194 55.300 -0.004 0.000 1.075 203 M CB -0.588 32.056 32.600 0.074 0.000 1.368 203 M HN -0.056 nan 8.290 nan 0.000 0.406 204 R N 0.050 120.547 120.500 -0.004 0.000 2.127 204 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 204 R C 2.130 178.424 176.300 -0.010 0.000 1.134 204 R CA 1.368 57.465 56.100 -0.005 0.000 0.975 204 R CB -0.731 29.564 30.300 -0.009 0.000 0.865 204 R HN 0.458 nan 8.270 nan 0.000 0.447 205 I N 1.219 121.775 120.570 -0.023 0.000 2.657 205 I HA -0.257 3.913 4.170 -0.000 0.000 0.261 205 I C 1.675 177.783 176.117 -0.015 0.000 1.212 205 I CA 1.053 62.338 61.300 -0.026 0.000 1.453 205 I CB 0.128 38.102 38.000 -0.044 0.000 1.092 205 I HN 0.188 nan 8.210 nan 0.000 0.452 206 L N -0.141 121.081 121.223 -0.002 0.000 2.068 206 L HA -0.132 4.207 4.340 -0.000 0.000 0.204 206 L C 1.206 178.085 176.870 0.014 0.000 1.076 206 L CA 1.081 55.932 54.840 0.019 0.000 0.753 206 L CB -0.465 41.628 42.059 0.057 0.000 0.910 206 L HN 0.090 nan 8.230 nan 0.000 0.439 207 D N -0.117 120.290 120.400 0.011 0.000 2.370 207 D HA 0.036 4.676 4.640 -0.000 0.000 0.230 207 D C 0.664 176.963 176.300 -0.002 0.000 1.143 207 D CA -0.000 54.002 54.000 0.004 0.000 0.834 207 D CB 0.119 40.920 40.800 0.002 0.000 0.944 207 D HN 0.200 nan 8.370 nan 0.000 0.504 208 S N -1.083 114.615 115.700 -0.004 0.000 2.681 208 S HA 0.444 4.914 4.470 -0.000 0.000 0.270 208 S C 0.623 175.219 174.600 -0.005 0.000 1.209 208 S CA -0.780 57.416 58.200 -0.007 0.000 0.988 208 S CB 2.130 65.324 63.200 -0.010 0.000 1.006 208 S HN -0.212 nan 8.310 nan 0.000 0.558 209 K N 0.191 120.588 120.400 -0.006 0.000 2.720 209 K HA 0.588 4.908 4.320 -0.000 0.000 0.281 209 K C 0.256 176.853 176.600 -0.005 0.000 1.019 209 K CA -0.408 55.877 56.287 -0.005 0.000 1.088 209 K CB 0.288 32.785 32.500 -0.004 0.000 1.449 209 K HN 0.926 nan 8.250 nan 0.000 0.542 210 S N -0.174 115.524 115.700 -0.003 0.000 3.349 210 S HA -0.136 4.333 4.470 -0.000 0.000 0.854 210 S C 0.701 175.299 174.600 -0.004 0.000 1.140 210 S CA 0.675 58.873 58.200 -0.003 0.000 1.044 210 S CB -0.219 62.978 63.200 -0.004 0.000 0.716 210 S HN 0.646 nan 8.310 nan 0.000 0.271 211 E N 2.521 122.719 120.200 -0.004 0.000 2.208 211 E HA 0.061 4.411 4.350 -0.000 0.000 0.193 211 E C 2.032 178.628 176.600 -0.007 0.000 0.988 211 E CA 1.602 57.999 56.400 -0.004 0.000 0.828 211 E CB -0.027 29.672 29.700 -0.003 0.000 0.763 211 E HN 0.593 nan 8.360 nan 0.000 0.478 212 R N 0.572 121.068 120.500 -0.006 0.000 2.113 212 R HA -0.173 4.167 4.340 -0.000 0.000 0.244 212 R C 1.592 177.885 176.300 -0.012 0.000 1.142 212 R CA 1.734 57.829 56.100 -0.008 0.000 0.953 212 R CB -0.345 29.952 30.300 -0.006 0.000 0.860 212 R HN 0.255 nan 8.270 nan 0.000 0.438 213 D N 0.072 120.465 120.400 -0.012 0.000 2.110 213 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 213 D C 2.177 178.467 176.300 -0.017 0.000 0.975 213 D CA 0.800 54.790 54.000 -0.016 0.000 0.839 213 D CB -0.254 40.538 40.800 -0.014 0.000 0.996 213 D HN 0.130 nan 8.370 nan 0.000 0.464 214 Q N 1.100 120.893 119.800 -0.012 0.000 2.045 214 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 214 Q C 2.299 178.292 176.000 -0.013 0.000 0.991 214 Q CA 1.482 57.279 55.803 -0.009 0.000 0.851 214 Q CB -0.775 27.960 28.738 -0.005 0.000 0.911 214 Q HN 0.262 nan 8.270 nan 0.000 0.418 215 A N 0.886 123.697 122.820 -0.014 0.000 1.908 215 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 215 A C 2.177 179.743 177.584 -0.030 0.000 1.181 215 A CA 1.576 53.603 52.037 -0.018 0.000 0.627 215 A CB -0.743 18.248 19.000 -0.015 0.000 0.818 215 A HN 0.329 nan 8.150 nan 0.000 0.445 216 L N -0.094 121.106 121.223 -0.037 0.000 1.994 216 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 216 L C 2.342 179.169 176.870 -0.072 0.000 1.071 216 L CA 1.806 56.608 54.840 -0.064 0.000 0.745 216 L CB -0.618 41.405 42.059 -0.061 0.000 0.892 216 L HN 0.423 nan 8.230 nan 0.000 0.431 217 L N -0.689 120.506 121.223 -0.047 0.000 2.043 217 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 217 L C 2.651 179.510 176.870 -0.018 0.000 1.075 217 L CA 1.689 56.510 54.840 -0.032 0.000 0.752 217 L CB -0.688 41.365 42.059 -0.010 0.000 0.891 217 L HN 0.298 nan 8.230 nan 0.000 0.432 218 K N 0.235 120.625 120.400 -0.016 0.000 1.985 218 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 218 K C 2.049 178.639 176.600 -0.016 0.000 1.047 218 K CA 1.999 58.282 56.287 -0.007 0.000 0.932 218 K CB -0.179 32.316 32.500 -0.007 0.000 0.716 218 K HN 0.478 nan 8.250 nan 0.000 0.439 219 E N 1.103 121.282 120.200 -0.034 0.000 2.118 219 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 219 E C 1.828 178.393 176.600 -0.059 0.000 0.992 219 E CA 1.151 57.525 56.400 -0.044 0.000 0.804 219 E CB -0.399 29.267 29.700 -0.057 0.000 0.741 219 E HN 0.226 nan 8.360 nan 0.000 0.458 220 L N 0.410 121.581 121.223 -0.087 0.000 2.465 220 L HA 0.082 4.421 4.340 -0.000 0.000 0.224 220 L C 1.277 178.136 176.870 -0.018 0.000 1.145 220 L CA 0.525 55.304 54.840 -0.103 0.000 0.834 220 L CB -0.553 41.406 42.059 -0.168 0.000 0.944 220 L HN 0.551 nan 8.230 nan 0.000 0.451 221 G N 0.865 109.671 108.800 0.010 0.000 2.295 221 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.287 221 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.287 221 G C 0.140 175.111 174.900 0.118 0.000 1.055 221 G CA 0.095 45.229 45.100 0.056 0.000 0.922 221 G HN 0.112 nan 8.290 nan 0.000 0.503 222 V N 0.806 120.788 119.914 0.113 0.000 2.458 222 V HA 0.107 4.227 4.120 -0.000 0.000 0.287 222 V C 1.507 177.766 176.094 0.276 0.000 1.009 222 V CA 0.304 62.732 62.300 0.213 0.000 1.091 222 V CB 0.291 32.188 31.823 0.124 0.000 0.960 222 V HN 0.527 nan 8.190 nan 0.000 0.476 223 R N 5.331 126.072 120.500 0.402 0.000 2.539 223 R HA 0.290 4.630 4.340 -0.000 0.000 0.275 223 R C -2.317 174.156 176.300 0.289 0.000 1.077 223 R CA -1.521 54.752 56.100 0.289 0.000 1.097 223 R CB 0.438 30.889 30.300 0.252 0.000 1.018 223 R HN 0.458 nan 8.270 nan 0.000 0.483 224 P HA -0.076 nan 4.420 nan 0.000 0.268 224 P C 0.329 177.505 177.300 -0.207 0.000 1.208 224 P CA -0.017 63.101 63.100 0.030 0.000 0.777 224 P CB 0.508 32.218 31.700 0.016 0.000 0.875 225 M N 3.170 122.463 119.600 -0.511 0.000 2.213 225 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 225 M C 1.382 177.474 176.300 -0.347 0.000 1.062 225 M CA 1.720 56.436 55.300 -0.974 0.000 1.105 225 M CB -1.218 30.985 32.600 -0.662 0.000 1.385 225 M HN 0.273 nan 8.290 nan 0.000 0.417 226 L N -0.111 121.019 121.223 -0.155 0.000 2.043 226 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 226 L C 1.476 178.339 176.870 -0.010 0.000 1.075 226 L CA 1.493 56.300 54.840 -0.055 0.000 0.752 226 L CB -1.005 41.036 42.059 -0.030 0.000 0.891 226 L HN 0.281 nan 8.230 nan 0.000 0.432 227 D N -0.727 119.694 120.400 0.034 0.000 2.403 227 D HA -0.128 4.512 4.640 -0.000 0.000 0.227 227 D C 1.069 177.297 176.300 -0.121 0.000 0.995 227 D CA 1.061 55.053 54.000 -0.014 0.000 0.928 227 D CB 0.007 40.801 40.800 -0.011 0.000 0.887 227 D HN 0.281 nan 8.370 nan 0.000 0.529 228 F N -0.134 119.697 119.950 -0.199 0.000 2.683 228 F HA 0.253 4.780 4.527 -0.000 0.000 0.306 228 F C 0.694 176.435 175.800 -0.098 0.000 1.102 228 F CA -0.555 57.357 58.000 -0.146 0.000 1.244 228 F CB 0.002 38.907 39.000 -0.158 0.000 1.029 228 F HN -0.234 nan 8.300 nan 0.000 0.545 229 L N 0.447 121.698 121.223 0.047 0.000 2.416 229 L HA 0.348 4.688 4.340 -0.000 0.000 0.272 229 L C 1.233 178.110 176.870 0.013 0.000 1.161 229 L CA -0.270 54.585 54.840 0.025 0.000 0.845 229 L CB 0.081 42.145 42.059 0.009 0.000 1.119 229 L HN 0.209 nan 8.230 nan 0.000 0.464 230 G N 1.044 109.857 108.800 0.021 0.000 2.621 230 G HA2 0.082 4.041 3.960 -0.000 0.000 0.271 230 G HA3 0.082 4.041 3.960 -0.000 0.000 0.271 230 G C 0.697 175.602 174.900 0.008 0.000 1.236 230 G CA -0.208 44.900 45.100 0.013 0.000 0.958 230 G HN 0.795 nan 8.290 nan 0.000 0.512 231 E N -0.430 119.773 120.200 0.005 0.000 2.051 231 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 231 E C 2.129 178.740 176.600 0.017 0.000 0.991 231 E CA 2.149 58.553 56.400 0.006 0.000 0.799 231 E CB -0.222 29.479 29.700 0.002 0.000 0.748 231 E HN 0.671 nan 8.360 nan 0.000 0.449 232 E N 0.116 120.329 120.200 0.021 0.000 2.072 232 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 232 E C 2.116 178.746 176.600 0.049 0.000 0.985 232 E CA 0.930 57.350 56.400 0.034 0.000 0.801 232 E CB -0.255 29.460 29.700 0.025 0.000 0.750 232 E HN 0.413 nan 8.360 nan 0.000 0.452 233 A N 1.815 124.654 122.820 0.031 0.000 1.877 233 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 233 A C 2.149 179.771 177.584 0.063 0.000 1.186 233 A CA 1.836 53.893 52.037 0.033 0.000 0.620 233 A CB -0.446 18.564 19.000 0.017 0.000 0.822 233 A HN 0.053 nan 8.150 nan 0.000 0.443 234 R N 0.303 120.827 120.500 0.040 0.000 2.083 234 R HA -0.058 4.282 4.340 -0.000 0.000 0.237 234 R C 2.135 178.457 176.300 0.037 0.000 1.137 234 R CA 2.133 58.251 56.100 0.030 0.000 0.951 234 R CB -0.971 29.335 30.300 0.010 0.000 0.851 234 R HN 0.378 nan 8.270 nan 0.000 0.434 235 A N 0.515 123.359 122.820 0.042 0.000 1.865 235 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 235 A C 2.328 179.939 177.584 0.044 0.000 1.191 235 A CA 1.877 53.933 52.037 0.032 0.000 0.623 235 A CB -1.247 17.775 19.000 0.036 0.000 0.826 235 A HN 0.660 nan 8.150 nan 0.000 0.444 236 H N -0.632 118.430 119.070 -0.012 0.000 2.319 236 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 236 H C 2.072 177.388 175.328 -0.020 0.000 1.092 236 H CA 2.101 58.144 56.048 -0.008 0.000 1.302 236 H CB -0.265 29.501 29.762 0.007 0.000 1.373 236 H HN 0.356 nan 8.280 nan 0.000 0.497 237 L N 1.482 122.788 121.223 0.138 0.000 2.083 237 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 237 L C 2.406 179.257 176.870 -0.031 0.000 1.083 237 L CA 1.766 56.644 54.840 0.062 0.000 0.752 237 L CB -0.552 41.543 42.059 0.061 0.000 0.899 237 L HN 0.001 nan 8.230 nan 0.000 0.433 238 K N -0.235 120.142 120.400 -0.038 0.000 2.097 238 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 238 K C 2.037 178.545 176.600 -0.153 0.000 1.050 238 K CA 1.185 57.430 56.287 -0.070 0.000 0.938 238 K CB -0.167 32.303 32.500 -0.051 0.000 0.718 238 K HN 0.329 nan 8.250 nan 0.000 0.442 239 E N 0.001 120.081 120.200 -0.200 0.000 2.085 239 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 239 E C 2.037 178.363 176.600 -0.456 0.000 0.994 239 E CA 1.304 57.490 56.400 -0.356 0.000 0.801 239 E CB -0.357 29.155 29.700 -0.312 0.000 0.743 239 E HN 0.109 nan 8.360 nan 0.000 0.453 240 V N 1.740 121.500 119.914 -0.257 0.000 2.261 240 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 240 V C 2.247 178.214 176.094 -0.213 0.000 1.047 240 V CA 2.002 64.203 62.300 -0.166 0.000 1.015 240 V CB -0.609 31.142 31.823 -0.121 0.000 0.642 240 V HN 0.253 nan 8.190 nan 0.000 0.446 241 E N -0.107 119.966 120.200 -0.213 0.000 2.097 241 E HA -0.291 4.059 4.350 -0.000 0.000 0.196 241 E C 2.439 178.977 176.600 -0.104 0.000 1.000 241 E CA 1.502 57.795 56.400 -0.179 0.000 0.804 241 E CB -0.261 29.423 29.700 -0.026 0.000 0.740 241 E HN 0.444 nan 8.360 nan 0.000 0.454 242 R N 0.155 120.550 120.500 -0.174 0.000 2.083 242 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 242 R C 2.345 178.575 176.300 -0.117 0.000 1.137 242 R CA 1.605 57.601 56.100 -0.173 0.000 0.951 242 R CB -0.139 29.987 30.300 -0.289 0.000 0.851 242 R HN 0.309 nan 8.270 nan 0.000 0.434 243 H N 0.533 119.557 119.070 -0.076 0.000 2.321 243 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 243 H C 2.230 177.506 175.328 -0.087 0.000 1.087 243 H CA 1.541 57.541 56.048 -0.080 0.000 1.319 243 H CB -0.473 29.230 29.762 -0.098 0.000 1.379 243 H HN 0.223 nan 8.280 nan 0.000 0.501 244 L N 0.702 121.920 121.223 -0.009 0.000 2.012 244 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 244 L C 2.696 179.576 176.870 0.017 0.000 1.073 244 L CA 1.639 56.433 54.840 -0.076 0.000 0.748 244 L CB -0.435 41.457 42.059 -0.277 0.000 0.891 244 L HN 0.328 nan 8.230 nan 0.000 0.431 245 E N 1.092 121.337 120.200 0.075 0.000 2.058 245 E HA -0.310 4.039 4.350 -0.000 0.000 0.194 245 E C 2.273 178.892 176.600 0.032 0.000 0.997 245 E CA 1.665 58.116 56.400 0.085 0.000 0.801 245 E CB -0.046 29.703 29.700 0.080 0.000 0.746 245 E HN 0.246 nan 8.360 nan 0.000 0.450 246 R N 0.955 121.472 120.500 0.029 0.000 2.091 246 R HA -0.058 4.282 4.340 -0.000 0.000 0.238 246 R C 2.364 178.672 176.300 0.012 0.000 1.136 246 R CA 1.472 57.586 56.100 0.024 0.000 0.959 246 R CB -0.827 29.500 30.300 0.045 0.000 0.856 246 R HN 0.322 nan 8.270 nan 0.000 0.437 247 L N 0.448 121.674 121.223 0.005 0.000 2.610 247 L HA 0.125 4.465 4.340 -0.000 0.000 0.232 247 L C 0.188 177.047 176.870 -0.018 0.000 1.149 247 L CA 0.543 55.376 54.840 -0.011 0.000 0.872 247 L CB -0.086 41.956 42.059 -0.029 0.000 0.992 247 L HN 0.201 nan 8.230 nan 0.000 0.447 248 S N -0.742 114.949 115.700 -0.013 0.000 3.635 248 S HA -0.119 4.351 4.470 -0.000 0.000 0.328 248 S C 0.266 174.829 174.600 -0.061 0.000 1.135 248 S CA 0.166 58.354 58.200 -0.020 0.000 0.942 248 S CB -1.671 61.524 63.200 -0.008 0.000 0.930 248 S HN 0.166 nan 8.310 nan 0.000 0.512 249 V N 3.317 123.170 119.914 -0.102 0.000 2.372 249 V HA 0.258 4.378 4.120 -0.000 0.000 0.261 249 V C -1.325 174.679 176.094 -0.150 0.000 1.055 249 V CA -1.516 60.615 62.300 -0.282 0.000 0.930 249 V CB 0.398 32.009 31.823 -0.353 0.000 1.031 249 V HN 0.210 nan 8.190 nan 0.000 0.479 250 P HA 0.184 nan 4.420 nan 0.000 0.270 250 P C -1.181 176.091 177.300 -0.046 0.000 1.242 250 P CA 0.254 63.289 63.100 -0.108 0.000 0.768 250 P CB 0.189 31.845 31.700 -0.073 0.000 0.820 251 Y N 0.036 120.259 120.300 -0.129 0.000 2.638 251 Y HA 0.811 5.361 4.550 -0.000 0.000 0.339 251 Y C -0.924 174.940 175.900 -0.060 0.000 1.084 251 Y CA -1.825 56.219 58.100 -0.094 0.000 1.068 251 Y CB 1.355 39.752 38.460 -0.106 0.000 1.294 251 Y HN 0.180 nan 8.280 nan 0.000 0.480 252 E N 1.282 121.513 120.200 0.051 0.000 2.224 252 E HA 0.424 4.774 4.350 -0.000 0.000 0.265 252 E C -2.067 174.603 176.600 0.116 0.000 0.878 252 E CA -0.754 55.626 56.400 -0.034 0.000 0.759 252 E CB 1.656 31.337 29.700 -0.032 0.000 1.164 252 E HN 0.747 nan 8.360 nan 0.000 0.414 253 L N 4.366 125.641 121.223 0.087 0.000 2.385 253 L HA 0.258 4.598 4.340 -0.000 0.000 0.281 253 L C -0.417 176.487 176.870 0.056 0.000 1.106 253 L CA 0.218 55.138 54.840 0.135 0.000 0.856 253 L CB 0.332 42.468 42.059 0.127 0.000 1.186 253 L HN 0.465 nan 8.230 nan 0.000 0.453 254 E N 7.267 127.499 120.200 0.053 0.000 2.283 254 E HA 0.211 4.561 4.350 -0.000 0.000 0.278 254 E C -1.667 174.940 176.600 0.011 0.000 1.027 254 E CA -1.874 54.537 56.400 0.018 0.000 0.843 254 E CB 1.035 30.741 29.700 0.009 0.000 1.062 254 E HN 0.447 nan 8.360 nan 0.000 0.401 255 P HA -0.120 nan 4.420 nan 0.000 0.215 255 P C -0.151 177.142 177.300 -0.012 0.000 1.157 255 P CA 1.087 64.187 63.100 -0.001 0.000 0.868 255 P CB 0.489 32.191 31.700 0.004 0.000 0.788 256 A N -0.325 122.490 122.820 -0.008 0.000 2.679 256 A HA 0.465 4.785 4.320 -0.000 0.000 0.288 256 A C -1.113 176.466 177.584 -0.009 0.000 1.160 256 A CA -0.378 51.651 52.037 -0.014 0.000 0.763 256 A CB 0.153 19.157 19.000 0.007 0.000 1.270 256 A HN 0.094 nan 8.150 nan 0.000 0.417 257 L N 3.865 125.079 121.223 -0.016 0.000 2.494 257 L HA 0.404 4.744 4.340 -0.000 0.000 0.251 257 L C -0.555 176.291 176.870 -0.039 0.000 1.119 257 L CA -0.119 54.710 54.840 -0.019 0.000 1.026 257 L CB 0.865 42.918 42.059 -0.009 0.000 1.370 257 L HN 0.408 nan 8.230 nan 0.000 0.426 258 V N 3.459 123.358 119.914 -0.024 0.000 2.446 258 V HA 0.205 4.325 4.120 -0.000 0.000 0.276 258 V C 0.957 177.017 176.094 -0.057 0.000 1.030 258 V CA -0.366 61.918 62.300 -0.027 0.000 1.033 258 V CB 0.438 32.266 31.823 0.009 0.000 0.993 258 V HN 0.580 nan 8.190 nan 0.000 0.477 259 R N 3.542 123.976 120.500 -0.110 0.000 2.707 259 R HA 0.412 4.752 4.340 -0.000 0.000 0.270 259 R C 1.449 177.709 176.300 -0.067 0.000 1.083 259 R CA 0.736 56.742 56.100 -0.158 0.000 1.182 259 R CB 0.598 30.657 30.300 -0.401 0.000 1.084 259 R HN 0.751 nan 8.270 nan 0.000 0.528 260 G N 1.053 109.823 108.800 -0.049 0.000 2.880 260 G HA2 0.119 4.079 3.960 -0.000 0.000 0.209 260 G HA3 0.119 4.079 3.960 -0.000 0.000 0.209 260 G C -0.442 174.434 174.900 -0.040 0.000 1.157 260 G CA 0.210 45.291 45.100 -0.032 0.000 0.779 260 G HN 0.248 nan 8.290 nan 0.000 0.539 261 L N -0.098 121.102 121.223 -0.039 0.000 2.346 261 L HA 0.496 4.836 4.340 -0.000 0.000 0.274 261 L C -0.003 176.759 176.870 -0.180 0.000 1.007 261 L CA -0.567 54.145 54.840 -0.213 0.000 0.818 261 L CB 2.168 43.878 42.059 -0.582 0.000 1.284 261 L HN -0.217 nan 8.230 nan 0.000 0.424 262 D N 0.012 120.297 120.400 -0.192 0.000 2.340 262 D HA -0.049 4.591 4.640 -0.000 0.000 0.220 262 D C 1.244 177.544 176.300 0.001 0.000 1.039 262 D CA 0.656 54.623 54.000 -0.054 0.000 0.866 262 D CB 0.171 40.969 40.800 -0.004 0.000 0.913 262 D HN 0.610 nan 8.370 nan 0.000 0.523 263 Y N -1.579 118.722 120.300 0.002 0.000 2.511 263 Y HA 0.198 4.748 4.550 -0.000 0.000 0.279 263 Y C 0.145 176.039 175.900 -0.010 0.000 1.157 263 Y CA -0.971 57.102 58.100 -0.046 0.000 1.300 263 Y CB -1.432 36.947 38.460 -0.134 0.000 1.052 263 Y HN -0.212 nan 8.280 nan 0.000 0.529 264 Y N 0.825 121.285 120.300 0.266 0.000 2.426 264 Y HA 0.368 4.918 4.550 -0.000 0.000 0.344 264 Y C 0.117 176.108 175.900 0.153 0.000 1.256 264 Y CA -0.440 57.814 58.100 0.257 0.000 1.451 264 Y CB 0.960 39.496 38.460 0.126 0.000 1.342 264 Y HN -0.116 nan 8.280 nan 0.000 0.600 265 V N 4.247 124.351 119.914 0.318 0.000 2.789 265 V HA 0.480 4.600 4.120 -0.000 0.000 0.300 265 V C -0.351 175.807 176.094 0.106 0.000 1.184 265 V CA -0.751 61.642 62.300 0.154 0.000 0.930 265 V CB 1.206 33.080 31.823 0.085 0.000 1.041 265 V HN 0.970 nan 8.190 nan 0.000 0.430 266 R N 2.515 123.052 120.500 0.062 0.000 4.066 266 R HA -0.162 4.178 4.340 -0.000 0.000 0.288 266 R C 0.123 176.478 176.300 0.093 0.000 0.241 266 R CA 1.045 57.163 56.100 0.030 0.000 0.984 266 R CB -1.764 28.478 30.300 -0.096 0.000 1.043 266 R HN 0.775 nan 8.270 nan 0.000 0.539 267 T N 1.452 116.088 114.554 0.138 0.000 2.867 267 T HA 0.314 4.664 4.350 -0.000 0.000 0.290 267 T C 0.030 174.859 174.700 0.216 0.000 1.025 267 T CA 0.825 63.051 62.100 0.209 0.000 1.146 267 T CB 0.513 69.554 68.868 0.288 0.000 1.024 267 T HN 0.604 nan 8.240 nan 0.000 0.519 268 A N 3.220 126.150 122.820 0.184 0.000 2.459 268 A HA 0.759 5.079 4.320 -0.000 0.000 0.296 268 A C -0.844 176.835 177.584 0.159 0.000 1.039 268 A CA -1.074 50.974 52.037 0.019 0.000 0.698 268 A CB 1.057 19.985 19.000 -0.119 0.000 1.261 268 A HN 0.794 nan 8.150 nan 0.000 0.405 269 F N -0.491 119.453 119.950 -0.010 0.000 2.662 269 F HA 0.924 5.451 4.527 -0.000 0.000 0.312 269 F C -0.620 175.218 175.800 0.063 0.000 1.113 269 F CA -0.866 57.151 58.000 0.028 0.000 0.951 269 F CB 1.330 40.349 39.000 0.032 0.000 1.344 269 F HN 0.531 nan 8.300 nan 0.000 0.462 270 E N 0.748 121.105 120.200 0.262 0.000 2.363 270 E HA 0.572 4.922 4.350 -0.000 0.000 0.281 270 E C -1.940 174.866 176.600 0.344 0.000 0.953 270 E CA -1.052 55.483 56.400 0.224 0.000 0.778 270 E CB 3.253 33.115 29.700 0.271 0.000 1.220 270 E HN 0.529 nan 8.360 nan 0.000 0.431 271 V N 2.876 122.942 119.914 0.252 0.000 2.459 271 V HA 0.404 4.524 4.120 -0.000 0.000 0.295 271 V C -0.382 175.818 176.094 0.177 0.000 1.029 271 V CA -0.576 61.874 62.300 0.250 0.000 0.874 271 V CB 1.314 33.227 31.823 0.150 0.000 0.985 271 V HN 0.620 nan 8.190 nan 0.000 0.438 272 H N 2.915 122.031 119.070 0.077 0.000 2.731 272 H HA 0.532 5.088 4.556 -0.000 0.000 0.368 272 H C -1.250 174.134 175.328 0.093 0.000 1.168 272 H CA -0.698 55.392 56.048 0.070 0.000 1.181 272 H CB 2.757 32.545 29.762 0.042 0.000 1.743 272 H HN 0.638 nan 8.280 nan 0.000 0.547 273 H N 1.466 120.600 119.070 0.107 0.000 2.609 273 H HA 0.099 4.654 4.556 -0.000 0.000 0.344 273 H C 0.085 175.449 175.328 0.060 0.000 1.040 273 H CA -0.239 55.844 56.048 0.058 0.000 1.216 273 H CB 1.406 31.176 29.762 0.013 0.000 1.529 273 H HN 0.837 nan 8.280 nan 0.000 0.519 274 E N 2.867 122.885 120.200 -0.304 0.000 2.051 274 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 274 E C -0.189 176.384 176.600 -0.046 0.000 0.991 274 E CA 1.101 57.412 56.400 -0.148 0.000 0.799 274 E CB 0.232 29.832 29.700 -0.167 0.000 0.748 274 E HN 0.600 nan 8.360 nan 0.000 0.449 275 E N 0.292 120.459 120.200 -0.056 0.000 1.972 275 E HA 0.140 4.490 4.350 -0.000 0.000 0.292 275 E C 0.285 177.036 176.600 0.251 0.000 1.193 275 E CA 0.181 56.667 56.400 0.143 0.000 1.228 275 E CB 0.143 29.949 29.700 0.177 0.000 1.167 275 E HN 0.277 nan 8.360 nan 0.000 0.479 276 I N -0.680 119.990 120.570 0.167 0.000 5.007 276 I HA 0.293 4.463 4.170 -0.000 0.000 0.323 276 I C 1.017 177.173 176.117 0.065 0.000 1.195 276 I CA 0.126 61.494 61.300 0.114 0.000 1.407 276 I CB 0.795 38.860 38.000 0.107 0.000 1.544 276 I HN 0.498 nan 8.210 nan 0.000 0.505 277 G N 1.126 109.963 108.800 0.060 0.000 2.342 277 G HA2 -0.012 3.947 3.960 -0.000 0.000 0.220 277 G HA3 -0.012 3.947 3.960 -0.000 0.000 0.220 277 G C 0.565 175.485 174.900 0.033 0.000 1.243 277 G CA 0.005 45.129 45.100 0.039 0.000 1.083 277 G HN 0.229 nan 8.290 nan 0.000 0.500 278 A N -1.127 121.706 122.820 0.022 0.000 1.971 278 A HA -0.013 4.307 4.320 -0.000 0.000 0.222 278 A C 1.478 179.069 177.584 0.012 0.000 1.182 278 A CA 2.634 54.681 52.037 0.016 0.000 0.649 278 A CB -0.383 18.622 19.000 0.009 0.000 0.818 278 A HN 0.752 nan 8.150 nan 0.000 0.458 279 Q N 0.227 120.023 119.800 -0.006 0.000 2.655 279 Q HA 0.261 4.601 4.340 -0.000 0.000 0.228 279 Q C 0.717 176.703 176.000 -0.023 0.000 1.186 279 Q CA 0.573 56.355 55.803 -0.035 0.000 1.004 279 Q CB 0.551 29.238 28.738 -0.085 0.000 1.242 279 Q HN 0.649 nan 8.270 nan 0.000 0.558 280 S N -0.837 114.876 115.700 0.021 0.000 2.524 280 S HA 0.189 4.658 4.470 -0.000 0.000 0.216 280 S C 1.007 175.555 174.600 -0.087 0.000 0.987 280 S CA -0.063 58.170 58.200 0.056 0.000 0.909 280 S CB 0.312 63.614 63.200 0.169 0.000 0.781 280 S HN 0.421 nan 8.310 nan 0.000 0.521 281 A N 2.122 124.767 122.820 -0.291 0.000 2.444 281 A HA 0.527 4.847 4.320 -0.000 0.000 0.287 281 A C 1.098 178.523 177.584 -0.264 0.000 1.195 281 A CA -0.401 51.276 52.037 -0.600 0.000 0.858 281 A CB -0.435 18.251 19.000 -0.524 0.000 1.117 281 A HN 0.534 nan 8.150 nan 0.000 0.521 282 L N 2.588 123.702 121.223 -0.181 0.000 2.072 282 L HA 0.115 4.455 4.340 -0.000 0.000 0.205 282 L C 1.443 178.340 176.870 0.045 0.000 1.079 282 L CA 1.206 56.014 54.840 -0.053 0.000 0.752 282 L CB -0.323 41.705 42.059 -0.052 0.000 0.906 282 L HN 0.772 nan 8.230 nan 0.000 0.436 283 G N -1.764 107.058 108.800 0.037 0.000 2.623 283 G HA2 0.570 4.530 3.960 -0.000 0.000 0.290 283 G HA3 0.570 4.530 3.960 -0.000 0.000 0.290 283 G C -1.500 173.462 174.900 0.103 0.000 1.437 283 G CA 0.074 45.279 45.100 0.174 0.000 0.798 283 G HN 0.138 nan 8.290 nan 0.000 0.488 284 G N -1.980 106.901 108.800 0.134 0.000 2.660 284 G HA2 1.013 4.973 3.960 -0.000 0.000 0.290 284 G HA3 1.013 4.973 3.960 -0.000 0.000 0.290 284 G C -0.351 174.492 174.900 -0.095 0.000 1.432 284 G CA 0.247 45.324 45.100 -0.040 0.000 0.807 284 G HN 1.933 nan 8.290 nan 0.000 0.485 285 G N -2.092 106.369 108.800 -0.564 0.000 2.340 285 G HA2 0.921 4.881 3.960 -0.000 0.000 0.299 285 G HA3 0.921 4.881 3.960 -0.000 0.000 0.299 285 G C -0.333 174.193 174.900 -0.623 0.000 1.291 285 G CA 0.580 45.453 45.100 -0.378 0.000 0.841 285 G HN 2.256 nan 8.290 nan 0.000 0.500 286 G N -1.313 107.621 108.800 0.224 0.000 2.320 286 G HA2 0.570 4.530 3.960 -0.000 0.000 0.297 286 G HA3 0.570 4.530 3.960 -0.000 0.000 0.297 286 G C -1.128 174.200 174.900 0.713 0.000 1.344 286 G CA -0.288 45.082 45.100 0.450 0.000 0.851 286 G HN 0.712 nan 8.290 nan 0.000 0.567 287 R N -0.871 119.928 120.500 0.498 0.000 2.531 287 R HA 0.600 4.940 4.340 -0.000 0.000 0.273 287 R C -0.314 176.143 176.300 0.262 0.000 1.070 287 R CA -0.391 55.827 56.100 0.198 0.000 1.112 287 R CB 0.366 30.717 30.300 0.084 0.000 1.049 287 R HN 0.942 nan 8.270 nan 0.000 0.508 288 Y N -0.457 119.895 120.300 0.086 0.000 2.885 288 Y HA 0.349 4.899 4.550 -0.000 0.000 0.258 288 Y C -1.351 174.513 175.900 -0.060 0.000 0.926 288 Y CA -1.439 56.663 58.100 0.004 0.000 1.121 288 Y CB -0.385 37.959 38.460 -0.193 0.000 1.213 288 Y HN 0.407 nan 8.280 nan 0.000 0.648 289 D N 1.370 121.692 120.400 -0.130 0.000 2.423 289 D HA 0.395 5.035 4.640 -0.000 0.000 0.238 289 D C 1.409 177.698 176.300 -0.019 0.000 1.142 289 D CA 2.079 56.011 54.000 -0.113 0.000 0.884 289 D CB 1.239 41.974 40.800 -0.109 0.000 1.199 289 D HN 0.779 nan 8.370 nan 0.000 0.438 290 G N 0.466 109.251 108.800 -0.025 0.000 2.284 290 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.230 290 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.230 290 G C 1.022 175.924 174.900 0.004 0.000 1.021 290 G CA 0.330 45.429 45.100 -0.002 0.000 0.619 290 G HN 0.494 nan 8.290 nan 0.000 0.510 291 L N 2.635 123.867 121.223 0.016 0.000 2.013 291 L HA -0.030 4.310 4.340 -0.000 0.000 0.212 291 L C 3.015 179.851 176.870 -0.057 0.000 1.073 291 L CA 3.588 58.413 54.840 -0.026 0.000 0.753 291 L CB -0.928 41.063 42.059 -0.114 0.000 0.890 291 L HN 0.868 nan 8.230 nan 0.000 0.432 292 S N -1.103 114.562 115.700 -0.058 0.000 2.374 292 S HA -0.269 4.201 4.470 -0.000 0.000 0.227 292 S C 1.791 176.365 174.600 -0.045 0.000 1.037 292 S CA 1.523 59.684 58.200 -0.064 0.000 1.024 292 S CB -0.889 62.267 63.200 -0.072 0.000 0.861 292 S HN 0.674 nan 8.310 nan 0.000 0.456 293 E N 1.301 121.481 120.200 -0.033 0.000 2.150 293 E HA 0.052 4.402 4.350 -0.000 0.000 0.193 293 E C 2.008 178.596 176.600 -0.021 0.000 0.985 293 E CA 0.922 57.309 56.400 -0.023 0.000 0.814 293 E CB -0.384 29.308 29.700 -0.015 0.000 0.752 293 E HN 0.497 nan 8.360 nan 0.000 0.466 294 L N 0.452 121.663 121.223 -0.020 0.000 2.141 294 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 294 L C 1.876 178.726 176.870 -0.033 0.000 1.094 294 L CA 0.773 55.603 54.840 -0.016 0.000 0.763 294 L CB -0.132 41.926 42.059 -0.002 0.000 0.908 294 L HN 0.189 nan 8.230 nan 0.000 0.437 295 L N -0.386 120.807 121.223 -0.050 0.000 2.612 295 L HA 0.200 4.539 4.340 -0.000 0.000 0.230 295 L C 1.117 177.955 176.870 -0.054 0.000 1.140 295 L CA 0.318 55.118 54.840 -0.066 0.000 0.896 295 L CB -0.427 41.577 42.059 -0.091 0.000 1.065 295 L HN 0.419 nan 8.230 nan 0.000 0.447 296 G N 0.401 109.177 108.800 -0.040 0.000 2.204 296 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.244 296 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.244 296 G C 0.222 175.103 174.900 -0.031 0.000 1.062 296 G CA -0.086 44.995 45.100 -0.033 0.000 0.798 296 G HN 0.545 nan 8.290 nan 0.000 0.496 297 G N -0.973 107.810 108.800 -0.028 0.000 2.816 297 G HA2 0.853 4.813 3.960 -0.000 0.000 0.288 297 G HA3 0.853 4.813 3.960 -0.000 0.000 0.288 297 G C -2.506 172.386 174.900 -0.014 0.000 1.334 297 G CA -1.082 44.006 45.100 -0.020 0.000 0.978 297 G HN 0.180 nan 8.290 nan 0.000 0.493 298 P HA 0.226 nan 4.420 nan 0.000 0.275 298 P C -0.261 177.033 177.300 -0.011 0.000 1.270 298 P CA -0.540 62.558 63.100 -0.003 0.000 0.791 298 P CB 0.488 32.194 31.700 0.009 0.000 1.089 299 R N 0.428 120.919 120.500 -0.014 0.000 2.316 299 R HA 0.325 4.665 4.340 -0.000 0.000 0.314 299 R C -1.394 174.879 176.300 -0.045 0.000 1.069 299 R CA -0.040 56.042 56.100 -0.029 0.000 0.959 299 R CB -0.220 30.065 30.300 -0.024 0.000 0.987 299 R HN 0.197 nan 8.270 nan 0.000 0.446 300 V N 7.904 127.766 119.914 -0.087 0.000 2.462 300 V HA 0.293 4.412 4.120 -0.000 0.000 0.288 300 V C -2.239 173.736 176.094 -0.198 0.000 1.020 300 V CA -1.894 60.311 62.300 -0.158 0.000 0.857 300 V CB 1.670 33.332 31.823 -0.269 0.000 1.013 300 V HN 0.836 nan 8.190 nan 0.000 0.431 301 P HA 0.549 nan 4.420 nan 0.000 0.272 301 P C 0.110 177.216 177.300 -0.323 0.000 1.223 301 P CA 0.148 63.119 63.100 -0.215 0.000 0.784 301 P CB 1.001 32.622 31.700 -0.132 0.000 0.923 302 G N -0.303 108.186 108.800 -0.519 0.000 2.702 302 G HA2 0.556 4.516 3.960 -0.000 0.000 0.296 302 G HA3 0.556 4.516 3.960 -0.000 0.000 0.296 302 G C -1.678 172.643 174.900 -0.965 0.000 1.463 302 G CA -0.545 44.143 45.100 -0.686 0.000 0.890 302 G HN 0.382 nan 8.290 nan 0.000 0.534 303 V N -0.817 118.879 119.914 -0.363 0.000 3.078 303 V HA 1.078 5.198 4.120 -0.000 0.000 0.311 303 V C 0.564 176.848 176.094 0.317 0.000 1.138 303 V CA -0.176 62.146 62.300 0.037 0.000 1.007 303 V CB 1.337 33.276 31.823 0.192 0.000 1.045 303 V HN 2.132 nan 8.190 nan 0.000 0.432 304 G N 0.616 109.752 108.800 0.560 0.000 2.320 304 G HA2 0.702 4.662 3.960 -0.000 0.000 0.296 304 G HA3 0.702 4.662 3.960 -0.000 0.000 0.296 304 G C -1.698 173.612 174.900 0.684 0.000 1.306 304 G CA 0.030 45.441 45.100 0.518 0.000 0.836 304 G HN 1.752 nan 8.290 nan 0.000 0.517 305 F N -2.414 117.823 119.950 0.478 0.000 2.789 305 F HA 0.968 5.495 4.527 -0.000 0.000 0.319 305 F C -0.439 175.543 175.800 0.302 0.000 1.168 305 F CA -1.153 57.072 58.000 0.375 0.000 0.934 305 F CB 1.523 40.838 39.000 0.526 0.000 1.375 305 F HN 1.614 nan 8.300 nan 0.000 0.480 306 A N 1.287 124.398 122.820 0.486 0.000 2.532 306 A HA 0.661 4.981 4.320 -0.000 0.000 0.296 306 A C -1.949 175.872 177.584 0.395 0.000 1.058 306 A CA -0.537 51.658 52.037 0.263 0.000 0.729 306 A CB 0.569 19.635 19.000 0.110 0.000 1.285 306 A HN 1.442 nan 8.150 nan 0.000 0.396 307 F N 0.864 120.993 119.950 0.298 0.000 2.532 307 F HA 0.819 5.346 4.527 -0.000 0.000 0.321 307 F C 0.458 176.333 175.800 0.124 0.000 1.089 307 F CA -1.023 57.090 58.000 0.190 0.000 0.926 307 F CB 1.521 40.634 39.000 0.188 0.000 1.168 307 F HN 0.734 nan 8.300 nan 0.000 0.459 308 G N 2.296 111.252 108.800 0.260 0.000 2.372 308 G HA2 0.375 4.335 3.960 -0.000 0.000 0.286 308 G HA3 0.375 4.335 3.960 -0.000 0.000 0.286 308 G C 0.516 175.536 174.900 0.200 0.000 1.153 308 G CA -0.518 44.673 45.100 0.152 0.000 0.985 308 G HN 0.771 nan 8.290 nan 0.000 0.429 309 V N 2.882 122.873 119.914 0.128 0.000 2.392 309 V HA -0.202 3.917 4.120 -0.000 0.000 0.249 309 V C 2.634 178.671 176.094 -0.096 0.000 1.059 309 V CA 2.258 64.582 62.300 0.040 0.000 1.051 309 V CB -0.483 31.265 31.823 -0.126 0.000 0.658 309 V HN 0.700 nan 8.190 nan 0.000 0.455 310 E N -0.090 120.090 120.200 -0.034 0.000 2.047 310 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 310 E C 2.489 179.087 176.600 -0.003 0.000 0.987 310 E CA 0.934 57.353 56.400 0.032 0.000 0.799 310 E CB -0.284 29.532 29.700 0.193 0.000 0.752 310 E HN 0.400 nan 8.360 nan 0.000 0.449 311 R N 0.333 120.810 120.500 -0.039 0.000 2.083 311 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 311 R C 2.374 178.639 176.300 -0.059 0.000 1.137 311 R CA 1.232 57.295 56.100 -0.061 0.000 0.951 311 R CB -1.048 29.212 30.300 -0.067 0.000 0.851 311 R HN 0.170 nan 8.270 nan 0.000 0.434 312 V N 1.421 121.319 119.914 -0.027 0.000 2.392 312 V HA -0.241 3.878 4.120 -0.000 0.000 0.249 312 V C 2.619 178.653 176.094 -0.100 0.000 1.059 312 V CA 1.864 64.115 62.300 -0.082 0.000 1.051 312 V CB -0.944 30.861 31.823 -0.031 0.000 0.658 312 V HN 0.342 nan 8.190 nan 0.000 0.455 313 A N -0.172 122.616 122.820 -0.054 0.000 1.902 313 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 313 A C 2.240 179.813 177.584 -0.018 0.000 1.181 313 A CA 1.814 53.840 52.037 -0.019 0.000 0.623 313 A CB -0.534 18.490 19.000 0.040 0.000 0.818 313 A HN 0.500 nan 8.150 nan 0.000 0.443 314 L N -0.835 120.374 121.223 -0.023 0.000 2.046 314 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 314 L C 3.129 179.941 176.870 -0.096 0.000 1.077 314 L CA 1.057 55.882 54.840 -0.024 0.000 0.747 314 L CB -0.556 41.495 42.059 -0.014 0.000 0.896 314 L HN 0.454 nan 8.230 nan 0.000 0.432 315 A N 0.190 122.880 122.820 -0.217 0.000 1.883 315 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 315 A C 2.245 179.646 177.584 -0.304 0.000 1.186 315 A CA 1.556 53.282 52.037 -0.518 0.000 0.624 315 A CB -0.798 17.817 19.000 -0.641 0.000 0.822 315 A HN 0.339 nan 8.150 nan 0.000 0.444 316 L N -0.775 120.344 121.223 -0.173 0.000 2.012 316 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 316 L C 2.730 179.680 176.870 0.133 0.000 1.073 316 L CA 2.011 56.825 54.840 -0.044 0.000 0.748 316 L CB -0.510 41.486 42.059 -0.104 0.000 0.891 316 L HN 0.632 nan 8.230 nan 0.000 0.431 317 E N 0.262 120.499 120.200 0.062 0.000 2.077 317 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 317 E C 2.202 178.847 176.600 0.074 0.000 0.989 317 E CA 1.240 57.686 56.400 0.077 0.000 0.800 317 E CB -0.022 29.707 29.700 0.048 0.000 0.746 317 E HN 0.465 nan 8.360 nan 0.000 0.452 318 A N 1.267 124.118 122.820 0.053 0.000 1.908 318 A HA -0.197 4.122 4.320 -0.000 0.000 0.218 318 A C 1.756 179.413 177.584 0.121 0.000 1.181 318 A CA 1.578 53.667 52.037 0.087 0.000 0.627 318 A CB -0.455 18.618 19.000 0.121 0.000 0.818 318 A HN 0.331 nan 8.150 nan 0.000 0.445 319 E N -1.017 119.281 120.200 0.164 0.000 2.416 319 E HA 0.259 4.609 4.350 -0.000 0.000 0.189 319 E C 0.884 177.523 176.600 0.065 0.000 1.091 319 E CA 0.200 56.722 56.400 0.202 0.000 0.889 319 E CB -0.423 29.497 29.700 0.367 0.000 1.015 319 E HN 0.755 nan 8.360 nan 0.000 0.479 320 G N 1.339 110.158 108.800 0.032 0.000 2.160 320 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.251 320 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.251 320 G C -0.166 174.624 174.900 -0.185 0.000 1.008 320 G CA -0.191 44.858 45.100 -0.085 0.000 0.724 320 G HN 0.236 nan 8.290 nan 0.000 0.514 321 F N 1.172 121.116 119.950 -0.010 0.000 2.404 321 F HA 0.579 5.106 4.527 -0.000 0.000 0.358 321 F C 1.182 176.977 175.800 -0.008 0.000 1.120 321 F CA 0.446 58.439 58.000 -0.012 0.000 1.144 321 F CB 1.500 40.487 39.000 -0.022 0.000 1.133 321 F HN 0.230 nan 8.300 nan 0.000 0.495 322 G N 2.929 111.801 108.800 0.119 0.000 2.820 322 G HA2 0.692 4.652 3.960 -0.000 0.000 0.291 322 G HA3 0.692 4.652 3.960 -0.000 0.000 0.291 322 G C -1.888 173.061 174.900 0.082 0.000 1.323 322 G CA -0.662 44.485 45.100 0.078 0.000 1.055 322 G HN 0.348 nan 8.290 nan 0.000 0.520 323 L N 1.283 122.538 121.223 0.053 0.000 2.354 323 L HA 0.610 4.950 4.340 -0.000 0.000 0.269 323 L C -1.575 175.312 176.870 0.030 0.000 1.005 323 L CA -1.863 53.004 54.840 0.046 0.000 0.819 323 L CB 2.041 44.123 42.059 0.039 0.000 1.311 323 L HN 0.428 nan 8.230 nan 0.000 0.423 324 P HA 0.246 nan 4.420 nan 0.000 0.341 324 P C -1.024 176.285 177.300 0.015 0.000 1.332 324 P CA -0.391 62.720 63.100 0.018 0.000 0.769 324 P CB 0.593 32.304 31.700 0.018 0.000 1.726 325 E N 0.312 120.518 120.200 0.011 0.000 2.200 325 E HA 0.201 4.551 4.350 -0.000 0.000 0.283 325 E C -0.159 176.447 176.600 0.010 0.000 1.015 325 E CA -0.462 55.943 56.400 0.008 0.000 0.819 325 E CB 0.444 30.145 29.700 0.002 0.000 1.081 325 E HN 0.329 nan 8.360 nan 0.000 0.397 326 E N 2.631 122.838 120.200 0.011 0.000 2.417 326 E HA -0.050 4.300 4.350 -0.000 0.000 0.261 326 E C -0.446 176.160 176.600 0.009 0.000 1.000 326 E CA 0.155 56.563 56.400 0.014 0.000 0.919 326 E CB 0.357 30.067 29.700 0.016 0.000 0.955 326 E HN 0.128 nan 8.360 nan 0.000 0.455 327 K N 2.644 123.052 120.400 0.013 0.000 2.436 327 K HA 0.206 4.526 4.320 -0.000 0.000 0.275 327 K C 0.318 176.924 176.600 0.009 0.000 0.999 327 K CA 0.351 56.645 56.287 0.012 0.000 0.980 327 K CB 0.780 33.291 32.500 0.019 0.000 0.919 327 K HN 0.678 nan 8.250 nan 0.000 0.484 328 G N 2.705 111.508 108.800 0.006 0.000 2.531 328 G HA2 0.364 4.324 3.960 -0.000 0.000 0.313 328 G HA3 0.364 4.324 3.960 -0.000 0.000 0.313 328 G C -2.488 172.426 174.900 0.023 0.000 1.238 328 G CA -1.168 43.931 45.100 -0.000 0.000 0.994 328 G HN 0.387 nan 8.290 nan 0.000 0.493 329 P HA 0.149 nan 4.420 nan 0.000 0.271 329 P C -0.268 177.091 177.300 0.099 0.000 1.218 329 P CA -0.225 62.917 63.100 0.071 0.000 0.780 329 P CB 1.500 33.260 31.700 0.099 0.000 0.901 330 D N 0.838 121.306 120.400 0.113 0.000 2.144 330 D HA -0.064 4.576 4.640 -0.000 0.000 0.199 330 D C 0.645 177.078 176.300 0.220 0.000 0.984 330 D CA 1.645 55.739 54.000 0.156 0.000 0.834 330 D CB -0.017 40.860 40.800 0.128 0.000 0.955 330 D HN 0.222 nan 8.370 nan 0.000 0.465 331 L N -0.672 120.659 121.223 0.180 0.000 2.455 331 L HA 0.363 4.703 4.340 -0.000 0.000 0.264 331 L C -1.970 175.022 176.870 0.203 0.000 0.968 331 L CA -1.073 53.882 54.840 0.191 0.000 0.827 331 L CB 2.217 44.347 42.059 0.118 0.000 1.317 331 L HN -0.163 nan 8.230 nan 0.000 0.407 332 Y N 5.341 125.667 120.300 0.044 0.000 2.376 332 Y HA 0.615 5.165 4.550 -0.000 0.000 0.326 332 Y C -1.358 174.541 175.900 -0.002 0.000 0.970 332 Y CA -0.832 57.279 58.100 0.019 0.000 1.248 332 Y CB 1.076 39.532 38.460 -0.007 0.000 1.117 332 Y HN 0.573 nan 8.280 nan 0.000 0.476 333 L N 7.811 128.831 121.223 -0.338 0.000 2.319 333 L HA 0.383 4.723 4.340 -0.000 0.000 0.280 333 L C -0.100 176.504 176.870 -0.443 0.000 1.099 333 L CA -0.373 54.297 54.840 -0.283 0.000 0.828 333 L CB 1.069 43.063 42.059 -0.107 0.000 1.150 333 L HN 0.661 nan 8.230 nan 0.000 0.442 334 I N 5.631 126.037 120.570 -0.273 0.000 2.382 334 I HA 0.451 4.620 4.170 -0.000 0.000 0.286 334 I C -2.513 173.610 176.117 0.011 0.000 1.002 334 I CA -2.270 58.949 61.300 -0.135 0.000 1.135 334 I CB 2.187 40.181 38.000 -0.011 0.000 1.288 334 I HN 0.332 nan 8.210 nan 0.000 0.448 335 P HA 0.268 nan 4.420 nan 0.000 0.281 335 P C 0.116 177.453 177.300 0.062 0.000 1.252 335 P CA -0.273 62.844 63.100 0.028 0.000 0.778 335 P CB 1.167 32.866 31.700 -0.001 0.000 0.895 336 L N 1.147 122.410 121.223 0.066 0.000 2.554 336 L HA 0.182 4.522 4.340 -0.000 0.000 0.225 336 L C 1.015 177.904 176.870 0.031 0.000 1.104 336 L CA 0.493 55.367 54.840 0.058 0.000 0.866 336 L CB -0.107 41.984 42.059 0.055 0.000 1.047 336 L HN 0.446 nan 8.230 nan 0.000 0.468 337 T N -5.618 108.950 114.554 0.023 0.000 2.896 337 T HA 0.266 4.616 4.350 -0.000 0.000 0.297 337 T C 0.461 175.165 174.700 0.007 0.000 1.108 337 T CA -0.619 61.489 62.100 0.014 0.000 1.004 337 T CB 2.559 71.434 68.868 0.011 0.000 1.159 337 T HN -0.141 nan 8.240 nan 0.000 0.499 338 E N 0.568 120.771 120.200 0.004 0.000 2.110 338 E HA -0.158 4.191 4.350 -0.000 0.000 0.193 338 E C 1.805 178.400 176.600 -0.008 0.000 0.988 338 E CA 1.743 58.142 56.400 -0.002 0.000 0.804 338 E CB -0.122 29.577 29.700 -0.000 0.000 0.745 338 E HN 0.822 nan 8.360 nan 0.000 0.458 339 E N -0.808 119.392 120.200 -0.000 0.000 2.268 339 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 339 E C 1.675 178.272 176.600 -0.005 0.000 0.995 339 E CA 0.792 57.194 56.400 0.004 0.000 0.836 339 E CB -0.088 29.620 29.700 0.014 0.000 0.763 339 E HN 0.328 nan 8.360 nan 0.000 0.491 340 A N 0.884 123.698 122.820 -0.010 0.000 1.968 340 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 340 A C 2.387 179.932 177.584 -0.064 0.000 1.169 340 A CA 1.179 53.204 52.037 -0.020 0.000 0.638 340 A CB -0.766 18.233 19.000 -0.001 0.000 0.812 340 A HN 0.298 nan 8.150 nan 0.000 0.446 341 V N -1.655 118.218 119.914 -0.067 0.000 2.252 341 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 341 V C 2.512 178.473 176.094 -0.221 0.000 1.056 341 V CA 2.315 64.550 62.300 -0.107 0.000 1.022 341 V CB -1.679 30.104 31.823 -0.066 0.000 0.641 341 V HN 0.508 nan 8.190 nan 0.000 0.445 342 A N -0.171 122.515 122.820 -0.223 0.000 1.933 342 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 342 A C 2.167 179.360 177.584 -0.653 0.000 1.175 342 A CA 1.718 53.506 52.037 -0.416 0.000 0.628 342 A CB -0.607 18.244 19.000 -0.249 0.000 0.814 342 A HN 0.636 nan 8.150 nan 0.000 0.444 343 E N 0.001 120.046 120.200 -0.259 0.000 2.150 343 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 343 E C 2.300 178.809 176.600 -0.151 0.000 0.985 343 E CA 1.107 57.462 56.400 -0.074 0.000 0.814 343 E CB -0.561 29.157 29.700 0.030 0.000 0.752 343 E HN 0.587 nan 8.360 nan 0.000 0.466 344 A N 1.067 123.757 122.820 -0.218 0.000 1.902 344 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 344 A C 2.062 179.412 177.584 -0.389 0.000 1.181 344 A CA 1.242 53.143 52.037 -0.227 0.000 0.623 344 A CB -0.784 18.097 19.000 -0.197 0.000 0.818 344 A HN 0.285 nan 8.150 nan 0.000 0.443 345 F N 0.038 119.470 119.950 -0.864 0.000 2.095 345 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 345 F C 2.079 177.637 175.800 -0.404 0.000 1.104 345 F CA 1.538 58.928 58.000 -1.016 0.000 1.232 345 F CB -0.784 37.621 39.000 -0.992 0.000 0.987 345 F HN 0.313 nan 8.300 nan 0.000 0.475 346 Y N 0.033 120.061 120.300 -0.453 0.000 2.165 346 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 346 Y C 2.400 178.116 175.900 -0.308 0.000 1.155 346 Y CA 1.321 59.153 58.100 -0.446 0.000 1.164 346 Y CB -1.561 36.764 38.460 -0.225 0.000 0.978 346 Y HN 0.208 nan 8.280 nan 0.000 0.513 347 L N 0.240 121.427 121.223 -0.060 0.000 2.017 347 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 347 L C 2.403 179.236 176.870 -0.060 0.000 1.073 347 L CA 1.973 56.782 54.840 -0.051 0.000 0.745 347 L CB -1.272 40.763 42.059 -0.041 0.000 0.894 347 L HN 0.136 nan 8.230 nan 0.000 0.432 348 A N -0.894 121.886 122.820 -0.066 0.000 1.892 348 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 348 A C 2.206 179.783 177.584 -0.013 0.000 1.188 348 A CA 1.857 53.910 52.037 0.027 0.000 0.631 348 A CB -0.736 18.390 19.000 0.209 0.000 0.822 348 A HN 0.520 nan 8.150 nan 0.000 0.447 349 E N -0.291 119.832 120.200 -0.130 0.000 2.160 349 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 349 E C 2.218 178.770 176.600 -0.079 0.000 0.991 349 E CA 1.164 57.483 56.400 -0.134 0.000 0.810 349 E CB -0.418 29.092 29.700 -0.317 0.000 0.742 349 E HN 0.585 nan 8.360 nan 0.000 0.466 350 A N 0.310 123.084 122.820 -0.077 0.000 2.014 350 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 350 A C 2.255 179.823 177.584 -0.027 0.000 1.163 350 A CA 0.602 52.609 52.037 -0.051 0.000 0.652 350 A CB -0.313 18.657 19.000 -0.051 0.000 0.808 350 A HN 0.184 nan 8.150 nan 0.000 0.449 351 L N -0.837 120.377 121.223 -0.016 0.000 2.209 351 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 351 L C 1.049 177.926 176.870 0.011 0.000 1.094 351 L CA 0.136 54.977 54.840 0.000 0.000 0.790 351 L CB -0.269 41.797 42.059 0.010 0.000 0.932 351 L HN 0.235 nan 8.230 nan 0.000 0.447 352 R N 1.064 121.574 120.500 0.016 0.000 2.641 352 R HA 0.092 4.432 4.340 -0.000 0.000 0.269 352 R C -1.406 174.904 176.300 0.016 0.000 1.074 352 R CA -1.027 55.089 56.100 0.026 0.000 1.133 352 R CB 0.152 30.476 30.300 0.040 0.000 1.029 352 R HN -0.058 nan 8.270 nan 0.000 0.488 353 P HA 0.072 nan 4.420 nan 0.000 0.257 353 P C 0.641 177.957 177.300 0.026 0.000 1.241 353 P CA 0.260 63.377 63.100 0.028 0.000 0.816 353 P CB 0.432 32.148 31.700 0.027 0.000 1.150 354 R N -0.249 120.263 120.500 0.020 0.000 2.193 354 R HA 0.024 4.364 4.340 -0.000 0.000 0.229 354 R C 0.307 176.621 176.300 0.023 0.000 1.110 354 R CA 0.962 57.073 56.100 0.019 0.000 0.988 354 R CB -0.669 29.638 30.300 0.012 0.000 0.871 354 R HN 0.137 nan 8.270 nan 0.000 0.458 355 L N -0.159 121.081 121.223 0.028 0.000 2.408 355 L HA 0.430 4.770 4.340 -0.000 0.000 0.268 355 L C -0.847 176.051 176.870 0.047 0.000 0.986 355 L CA -0.908 53.953 54.840 0.036 0.000 0.820 355 L CB 1.936 44.012 42.059 0.029 0.000 1.303 355 L HN -0.037 nan 8.230 nan 0.000 0.411 356 R N 3.130 123.664 120.500 0.057 0.000 2.248 356 R HA 0.706 5.046 4.340 -0.000 0.000 0.337 356 R C -1.044 175.306 176.300 0.083 0.000 1.106 356 R CA -0.154 55.985 56.100 0.065 0.000 0.959 356 R CB 0.370 30.706 30.300 0.059 0.000 1.075 356 R HN 0.719 nan 8.270 nan 0.000 0.480 357 A N 4.695 127.570 122.820 0.091 0.000 2.304 357 A HA 0.389 4.709 4.320 -0.000 0.000 0.314 357 A C -0.821 176.850 177.584 0.145 0.000 1.187 357 A CA -0.694 51.414 52.037 0.117 0.000 0.810 357 A CB 1.011 20.073 19.000 0.104 0.000 1.183 357 A HN 0.824 nan 8.150 nan 0.000 0.487 358 E N 0.225 120.514 120.200 0.148 0.000 2.299 358 E HA 0.728 5.077 4.350 -0.000 0.000 0.260 358 E C -1.457 175.165 176.600 0.037 0.000 0.944 358 E CA -0.609 55.834 56.400 0.072 0.000 0.815 358 E CB 2.120 31.912 29.700 0.154 0.000 1.252 358 E HN 0.726 nan 8.360 nan 0.000 0.418 359 Y N -2.288 117.983 120.300 -0.048 0.000 2.656 359 Y HA 0.699 5.249 4.550 -0.000 0.000 0.334 359 Y C -1.268 174.503 175.900 -0.215 0.000 1.179 359 Y CA -1.519 56.376 58.100 -0.341 0.000 1.050 359 Y CB 0.462 38.822 38.460 -0.166 0.000 1.308 359 Y HN 0.503 nan 8.280 nan 0.000 0.456 360 A N 1.796 124.550 122.820 -0.109 0.000 2.316 360 A HA 0.602 4.922 4.320 -0.000 0.000 0.284 360 A C -0.087 177.594 177.584 0.162 0.000 1.115 360 A CA -0.773 51.301 52.037 0.062 0.000 0.812 360 A CB 0.418 19.451 19.000 0.055 0.000 1.064 360 A HN 0.962 nan 8.150 nan 0.000 0.489 361 L N 0.843 122.137 121.223 0.118 0.000 2.685 361 L HA 0.381 4.721 4.340 -0.000 0.000 0.233 361 L C 0.659 177.555 176.870 0.043 0.000 1.173 361 L CA 0.459 55.356 54.840 0.095 0.000 0.961 361 L CB -0.323 41.772 42.059 0.059 0.000 1.217 361 L HN 0.815 nan 8.230 nan 0.000 0.478 362 A N -0.608 122.238 122.820 0.045 0.000 2.589 362 A HA 0.696 5.016 4.320 -0.000 0.000 0.296 362 A C -2.835 174.771 177.584 0.036 0.000 1.062 362 A CA -1.065 50.990 52.037 0.030 0.000 0.686 362 A CB 1.274 20.292 19.000 0.030 0.000 1.282 362 A HN -0.177 nan 8.150 nan 0.000 0.404 363 P HA 0.496 nan 4.420 nan 0.000 0.271 363 P C -0.783 176.545 177.300 0.046 0.000 1.218 363 P CA -0.108 63.013 63.100 0.035 0.000 0.780 363 P CB 0.550 32.264 31.700 0.024 0.000 0.901 364 R N 0.026 120.563 120.500 0.062 0.000 2.716 364 R HA 0.445 4.785 4.340 -0.000 0.000 0.271 364 R C -1.130 175.217 176.300 0.079 0.000 1.028 364 R CA -1.050 55.091 56.100 0.069 0.000 0.883 364 R CB 0.845 31.196 30.300 0.085 0.000 1.250 364 R HN 0.223 nan 8.270 nan 0.000 0.465 365 K N 1.033 121.473 120.400 0.067 0.000 2.355 365 K HA 0.112 4.432 4.320 -0.000 0.000 0.270 365 K C -1.791 174.868 176.600 0.098 0.000 1.003 365 K CA -1.340 54.981 56.287 0.057 0.000 0.957 365 K CB 0.581 33.104 32.500 0.038 0.000 0.939 365 K HN 0.254 nan 8.250 nan 0.000 0.482 366 P HA -0.305 nan 4.420 nan 0.000 0.215 366 P C 0.980 178.408 177.300 0.212 0.000 1.163 366 P CA 1.819 64.991 63.100 0.120 0.000 0.894 366 P CB 0.114 31.703 31.700 -0.185 0.000 0.791 367 A N -0.409 122.476 122.820 0.108 0.000 1.908 367 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 367 A C 2.076 179.729 177.584 0.115 0.000 1.181 367 A CA 2.192 54.292 52.037 0.106 0.000 0.627 367 A CB -1.121 17.915 19.000 0.059 0.000 0.818 367 A HN 0.187 nan 8.150 nan 0.000 0.445 368 K N -1.001 119.462 120.400 0.106 0.000 2.025 368 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 368 K C 2.164 178.842 176.600 0.130 0.000 1.049 368 K CA 1.112 57.457 56.287 0.097 0.000 0.933 368 K CB -0.498 32.050 32.500 0.081 0.000 0.714 368 K HN 0.451 nan 8.250 nan 0.000 0.438 369 G N 1.452 110.361 108.800 0.182 0.000 2.432 369 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 369 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 369 G C 1.446 176.480 174.900 0.222 0.000 1.135 369 G CA 0.378 45.618 45.100 0.233 0.000 0.767 369 G HN 0.083 nan 8.290 nan 0.000 0.550 370 L N 0.530 121.878 121.223 0.210 0.000 2.056 370 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 370 L C 2.633 179.554 176.870 0.084 0.000 1.078 370 L CA 2.167 57.101 54.840 0.157 0.000 0.749 370 L CB -0.422 41.764 42.059 0.212 0.000 0.901 370 L HN 0.386 nan 8.230 nan 0.000 0.433 371 E N -0.499 119.745 120.200 0.074 0.000 2.077 371 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 371 E C 1.913 178.505 176.600 -0.014 0.000 0.989 371 E CA 1.530 57.947 56.400 0.029 0.000 0.800 371 E CB -0.018 29.700 29.700 0.031 0.000 0.746 371 E HN 0.635 nan 8.360 nan 0.000 0.452 372 E N -0.004 120.191 120.200 -0.008 0.000 2.106 372 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 372 E C 2.000 178.410 176.600 -0.315 0.000 0.984 372 E CA 0.817 57.147 56.400 -0.117 0.000 0.806 372 E CB -0.091 29.587 29.700 -0.036 0.000 0.750 372 E HN 0.323 nan 8.360 nan 0.000 0.458 373 A N 0.900 123.592 122.820 -0.214 0.000 1.902 373 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 373 A C 2.092 179.579 177.584 -0.163 0.000 1.181 373 A CA 0.982 52.876 52.037 -0.239 0.000 0.623 373 A CB -0.398 18.639 19.000 0.061 0.000 0.818 373 A HN 0.120 nan 8.150 nan 0.000 0.443 374 L N -0.170 120.999 121.223 -0.090 0.000 2.027 374 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 374 L C 2.403 179.223 176.870 -0.084 0.000 1.074 374 L CA 2.104 56.905 54.840 -0.066 0.000 0.745 374 L CB -0.542 41.498 42.059 -0.033 0.000 0.898 374 L HN 0.377 nan 8.230 nan 0.000 0.433 375 K N -0.558 119.783 120.400 -0.098 0.000 2.063 375 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 375 K C 2.054 178.586 176.600 -0.115 0.000 1.048 375 K CA 1.391 57.623 56.287 -0.092 0.000 0.928 375 K CB -0.026 32.420 32.500 -0.090 0.000 0.713 375 K HN 0.244 nan 8.250 nan 0.000 0.442 376 R N -0.742 119.647 120.500 -0.185 0.000 2.339 376 R HA -0.016 4.324 4.340 -0.000 0.000 0.199 376 R C 0.849 177.079 176.300 -0.116 0.000 1.018 376 R CA 0.568 56.556 56.100 -0.186 0.000 1.036 376 R CB 0.050 30.150 30.300 -0.334 0.000 0.899 376 R HN 0.444 nan 8.270 nan 0.000 0.473 377 G N 0.895 109.640 108.800 -0.093 0.000 2.221 377 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.265 377 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.265 377 G C 0.132 175.007 174.900 -0.042 0.000 1.041 377 G CA 0.196 45.262 45.100 -0.057 0.000 0.807 377 G HN 0.504 nan 8.290 nan 0.000 0.502 378 A N -0.607 122.183 122.820 -0.050 0.000 2.425 378 A HA 0.825 5.145 4.320 -0.000 0.000 0.249 378 A C 1.585 179.169 177.584 0.000 0.000 1.084 378 A CA 0.884 52.924 52.037 0.005 0.000 0.781 378 A CB 0.621 19.647 19.000 0.043 0.000 1.019 378 A HN 1.734 nan 8.150 nan 0.000 0.490 379 A N 2.067 124.908 122.820 0.034 0.000 1.855 379 A HA 0.368 4.688 4.320 -0.000 0.000 0.213 379 A C 0.362 177.837 177.584 -0.180 0.000 1.195 379 A CA 0.878 52.885 52.037 -0.051 0.000 0.610 379 A CB -0.212 18.820 19.000 0.054 0.000 0.837 379 A HN 0.689 nan 8.150 nan 0.000 0.444 380 F N -1.324 118.652 119.950 0.044 0.000 2.508 380 F HA 0.646 5.173 4.527 -0.000 0.000 0.325 380 F C 0.316 176.127 175.800 0.018 0.000 1.090 380 F CA -0.595 57.431 58.000 0.043 0.000 0.945 380 F CB 1.944 40.986 39.000 0.069 0.000 1.156 380 F HN 0.183 nan 8.300 nan 0.000 0.463 381 A N 1.599 124.511 122.820 0.153 0.000 2.317 381 A HA 0.789 5.109 4.320 -0.000 0.000 0.327 381 A C -0.224 177.261 177.584 -0.164 0.000 1.178 381 A CA -0.463 51.548 52.037 -0.043 0.000 0.817 381 A CB 0.720 19.616 19.000 -0.173 0.000 1.189 381 A HN 0.914 nan 8.150 nan 0.000 0.489 382 G N 0.918 109.563 108.800 -0.260 0.000 2.557 382 G HA2 0.586 4.546 3.960 -0.000 0.000 0.310 382 G HA3 0.586 4.546 3.960 -0.000 0.000 0.310 382 G C -1.094 173.613 174.900 -0.321 0.000 1.328 382 G CA -0.338 44.626 45.100 -0.226 0.000 0.945 382 G HN 0.389 nan 8.290 nan 0.000 0.494 383 F N 1.432 121.397 119.950 0.025 0.000 2.408 383 F HA 0.512 5.039 4.527 -0.000 0.000 0.344 383 F C 0.450 176.246 175.800 -0.006 0.000 1.112 383 F CA -0.864 57.142 58.000 0.011 0.000 1.096 383 F CB 2.029 41.040 39.000 0.019 0.000 1.129 383 F HN 0.065 nan 8.300 nan 0.000 0.486 384 L N 3.826 125.159 121.223 0.184 0.000 2.417 384 L HA 0.541 4.881 4.340 -0.000 0.000 0.259 384 L C 0.246 177.163 176.870 0.077 0.000 1.023 384 L CA -0.310 54.584 54.840 0.090 0.000 0.901 384 L CB 0.848 42.926 42.059 0.031 0.000 1.227 384 L HN 0.806 nan 8.230 nan 0.000 0.454 385 G N 0.185 109.025 108.800 0.066 0.000 2.887 385 G HA2 0.273 4.232 3.960 -0.000 0.000 0.277 385 G HA3 0.273 4.232 3.960 -0.000 0.000 0.277 385 G C 0.427 175.339 174.900 0.020 0.000 1.346 385 G CA -0.180 44.941 45.100 0.035 0.000 1.058 385 G HN 0.451 nan 8.290 nan 0.000 0.535 386 E N -0.145 120.061 120.200 0.010 0.000 2.070 386 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 386 E C 1.891 178.493 176.600 0.005 0.000 1.004 386 E CA 2.068 58.471 56.400 0.006 0.000 0.805 386 E CB -0.094 29.607 29.700 0.001 0.000 0.744 386 E HN 0.482 nan 8.360 nan 0.000 0.451 387 D N 0.332 120.733 120.400 0.001 0.000 2.087 387 D HA -0.193 4.446 4.640 -0.000 0.000 0.192 387 D C 1.797 178.100 176.300 0.004 0.000 0.993 387 D CA 1.718 55.718 54.000 -0.000 0.000 0.828 387 D CB -0.345 40.451 40.800 -0.006 0.000 0.968 387 D HN 0.477 nan 8.370 nan 0.000 0.448 388 E N 1.303 121.509 120.200 0.010 0.000 2.110 388 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 388 E C 2.646 179.252 176.600 0.010 0.000 0.988 388 E CA 0.357 56.764 56.400 0.012 0.000 0.804 388 E CB -0.799 28.917 29.700 0.026 0.000 0.745 388 E HN 0.346 nan 8.360 nan 0.000 0.458 389 L N 0.594 121.825 121.223 0.013 0.000 1.989 389 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 389 L C 2.953 179.828 176.870 0.008 0.000 1.071 389 L CA 1.683 56.531 54.840 0.013 0.000 0.749 389 L CB -0.337 41.731 42.059 0.015 0.000 0.890 389 L HN 0.085 nan 8.230 nan 0.000 0.431 390 R N -0.392 120.111 120.500 0.006 0.000 2.115 390 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 390 R C 2.112 178.412 176.300 -0.001 0.000 1.111 390 R CA 1.139 57.240 56.100 0.002 0.000 0.976 390 R CB -0.327 29.974 30.300 0.001 0.000 0.870 390 R HN 0.315 nan 8.270 nan 0.000 0.445 391 A N 0.394 123.213 122.820 -0.001 0.000 2.208 391 A HA 0.196 4.516 4.320 -0.000 0.000 0.209 391 A C 1.415 178.995 177.584 -0.006 0.000 1.161 391 A CA 0.669 52.704 52.037 -0.004 0.000 0.782 391 A CB -0.122 18.875 19.000 -0.005 0.000 0.816 391 A HN 0.427 nan 8.150 nan 0.000 0.477 392 G N -0.374 108.423 108.800 -0.005 0.000 2.198 392 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 392 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 392 G C -0.115 174.777 174.900 -0.012 0.000 1.025 392 G CA 0.746 45.841 45.100 -0.008 0.000 0.769 392 G HN 0.657 nan 8.290 nan 0.000 0.507 393 E N -1.905 118.289 120.200 -0.010 0.000 2.412 393 E HA 0.803 5.153 4.350 -0.000 0.000 0.255 393 E C -0.437 176.157 176.600 -0.010 0.000 0.933 393 E CA -1.056 55.334 56.400 -0.017 0.000 0.823 393 E CB 2.418 32.108 29.700 -0.017 0.000 1.352 393 E HN 0.274 nan 8.360 nan 0.000 0.406 394 V N 0.383 120.286 119.914 -0.018 0.000 2.932 394 V HA 0.282 4.402 4.120 -0.000 0.000 0.307 394 V C -0.858 175.239 176.094 0.006 0.000 1.147 394 V CA -0.940 61.359 62.300 -0.002 0.000 0.951 394 V CB 2.223 34.031 31.823 -0.024 0.000 1.031 394 V HN 0.661 nan 8.190 nan 0.000 0.426 395 T N 5.409 120.008 114.554 0.075 0.000 2.832 395 T HA 0.579 4.929 4.350 -0.000 0.000 0.313 395 T C -0.205 174.575 174.700 0.132 0.000 1.035 395 T CA -0.110 62.065 62.100 0.126 0.000 0.950 395 T CB -0.007 69.003 68.868 0.237 0.000 0.984 395 T HN 0.343 nan 8.240 nan 0.000 0.486 396 L N 3.161 124.412 121.223 0.047 0.000 2.379 396 L HA 0.615 4.955 4.340 -0.000 0.000 0.269 396 L C 0.406 177.401 176.870 0.209 0.000 1.084 396 L CA -0.723 54.164 54.840 0.078 0.000 0.802 396 L CB 1.090 43.115 42.059 -0.057 0.000 1.175 396 L HN 0.389 nan 8.230 nan 0.000 0.448 397 K N 2.861 123.445 120.400 0.306 0.000 2.652 397 K HA 0.240 4.560 4.320 -0.000 0.000 0.249 397 K C -0.955 175.759 176.600 0.191 0.000 0.986 397 K CA -0.735 55.710 56.287 0.263 0.000 0.867 397 K CB 1.535 34.164 32.500 0.216 0.000 1.201 397 K HN 0.534 nan 8.250 nan 0.000 0.450 398 R N 5.731 126.261 120.500 0.050 0.000 2.351 398 R HA 0.090 4.430 4.340 -0.000 0.000 0.318 398 R C 0.806 176.975 176.300 -0.219 0.000 1.055 398 R CA -0.043 55.763 56.100 -0.489 0.000 0.968 398 R CB 0.351 30.330 30.300 -0.535 0.000 0.974 398 R HN 0.729 nan 8.270 nan 0.000 0.439 399 L N 4.012 125.106 121.223 -0.215 0.000 2.353 399 L HA -0.173 4.167 4.340 -0.000 0.000 0.220 399 L C 2.129 178.945 176.870 -0.090 0.000 1.133 399 L CA 1.238 56.018 54.840 -0.100 0.000 0.798 399 L CB -0.533 41.478 42.059 -0.080 0.000 0.922 399 L HN 0.778 nan 8.230 nan 0.000 0.445 400 A N 0.558 123.296 122.820 -0.137 0.000 1.844 400 A HA -0.132 4.188 4.320 -0.000 0.000 0.212 400 A C 2.420 179.968 177.584 -0.061 0.000 1.221 400 A CA 1.757 53.736 52.037 -0.096 0.000 0.607 400 A CB -0.863 18.066 19.000 -0.117 0.000 0.878 400 A HN 0.418 nan 8.150 nan 0.000 0.451 401 T N -4.120 110.396 114.554 -0.064 0.000 3.043 401 T HA 0.365 4.715 4.350 -0.000 0.000 0.263 401 T C 1.522 176.223 174.700 0.002 0.000 1.094 401 T CA 1.266 63.353 62.100 -0.022 0.000 1.127 401 T CB 0.014 68.877 68.868 -0.007 0.000 0.905 401 T HN 1.788 nan 8.240 nan 0.000 0.490 402 G N 1.374 110.175 108.800 0.001 0.000 2.176 402 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 402 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 402 G C -0.126 174.812 174.900 0.064 0.000 0.979 402 G CA 0.204 45.324 45.100 0.034 0.000 0.641 402 G HN 0.833 nan 8.290 nan 0.000 0.530 403 E N 0.772 121.014 120.200 0.070 0.000 2.328 403 E HA 0.343 4.693 4.350 -0.000 0.000 0.265 403 E C 0.311 177.005 176.600 0.157 0.000 1.057 403 E CA -0.045 56.422 56.400 0.112 0.000 0.916 403 E CB 0.197 29.977 29.700 0.133 0.000 0.993 403 E HN 0.501 nan 8.360 nan 0.000 0.446 404 Q N 3.344 123.225 119.800 0.135 0.000 2.282 404 Q HA 0.477 4.817 4.340 -0.000 0.000 0.260 404 Q C -1.566 174.492 176.000 0.096 0.000 0.964 404 Q CA -0.853 55.035 55.803 0.141 0.000 0.880 404 Q CB 1.724 30.540 28.738 0.130 0.000 1.286 404 Q HN 0.403 nan 8.270 nan 0.000 0.445 405 V N 3.149 123.095 119.914 0.053 0.000 2.841 405 V HA 0.528 4.648 4.120 -0.000 0.000 0.310 405 V C -1.018 175.028 176.094 -0.081 0.000 1.090 405 V CA -0.880 61.386 62.300 -0.056 0.000 0.930 405 V CB 2.081 33.760 31.823 -0.240 0.000 1.014 405 V HN 0.741 nan 8.190 nan 0.000 0.425 406 R N 4.805 125.261 120.500 -0.074 0.000 2.310 406 R HA 0.849 5.189 4.340 -0.000 0.000 0.324 406 R C -1.254 174.991 176.300 -0.092 0.000 0.955 406 R CA -0.306 55.760 56.100 -0.058 0.000 0.830 406 R CB 0.957 31.244 30.300 -0.022 0.000 1.154 406 R HN 0.794 nan 8.270 nan 0.000 0.458 407 L N 0.806 121.963 121.223 -0.109 0.000 2.479 407 L HA 0.715 5.055 4.340 -0.000 0.000 0.255 407 L C -0.686 176.139 176.870 -0.074 0.000 1.026 407 L CA -1.206 53.571 54.840 -0.106 0.000 0.842 407 L CB 2.068 44.023 42.059 -0.173 0.000 1.444 407 L HN 0.684 nan 8.230 nan 0.000 0.409 408 S N 0.031 115.699 115.700 -0.054 0.000 2.572 408 S HA 0.297 4.767 4.470 -0.000 0.000 0.279 408 S C 0.917 175.493 174.600 -0.041 0.000 1.341 408 S CA -0.388 57.789 58.200 -0.038 0.000 1.043 408 S CB 1.262 64.446 63.200 -0.027 0.000 0.887 408 S HN 0.843 nan 8.310 nan 0.000 0.516 409 R N 1.398 121.878 120.500 -0.033 0.000 2.119 409 R HA -0.195 4.145 4.340 -0.000 0.000 0.246 409 R C 1.978 178.260 176.300 -0.030 0.000 1.146 409 R CA 2.289 58.370 56.100 -0.032 0.000 0.962 409 R CB -0.528 29.757 30.300 -0.025 0.000 0.863 409 R HN 0.798 nan 8.270 nan 0.000 0.442 410 E N 0.270 120.455 120.200 -0.025 0.000 2.204 410 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 410 E C 1.573 178.165 176.600 -0.014 0.000 0.990 410 E CA 1.160 57.548 56.400 -0.019 0.000 0.821 410 E CB -0.006 29.684 29.700 -0.017 0.000 0.750 410 E HN 0.473 nan 8.360 nan 0.000 0.477 411 E N 0.275 120.465 120.200 -0.017 0.000 2.230 411 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 411 E C 2.038 178.641 176.600 0.006 0.000 0.987 411 E CA 0.486 56.884 56.400 -0.002 0.000 0.841 411 E CB 0.111 29.806 29.700 -0.009 0.000 0.783 411 E HN 0.043 nan 8.360 nan 0.000 0.481 412 V N 1.991 121.888 119.914 -0.029 0.000 2.250 412 V HA -0.278 3.842 4.120 -0.000 0.000 0.253 412 V C -0.698 175.393 176.094 -0.005 0.000 1.065 412 V CA 2.422 64.699 62.300 -0.038 0.000 1.039 412 V CB -1.578 30.209 31.823 -0.060 0.000 0.647 412 V HN 0.209 nan 8.190 nan 0.000 0.446 413 P HA -0.133 nan 4.420 nan 0.000 0.215 413 P C 1.732 179.033 177.300 0.003 0.000 1.157 413 P CA 2.004 65.100 63.100 -0.006 0.000 0.868 413 P CB -0.395 31.301 31.700 -0.007 0.000 0.788 414 G N -1.418 107.393 108.800 0.017 0.000 2.421 414 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.216 414 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.216 414 G C 1.594 176.510 174.900 0.026 0.000 1.171 414 G CA 0.741 45.853 45.100 0.019 0.000 0.775 414 G HN 0.223 nan 8.290 nan 0.000 0.543 415 Y N 1.205 121.456 120.300 -0.081 0.000 2.097 415 Y HA -0.137 4.413 4.550 -0.000 0.000 0.282 415 Y C 2.664 178.471 175.900 -0.155 0.000 1.152 415 Y CA 1.702 59.738 58.100 -0.105 0.000 1.136 415 Y CB -0.292 38.088 38.460 -0.133 0.000 0.975 415 Y HN 0.114 nan 8.280 nan 0.000 0.498 416 L N -0.556 120.630 121.223 -0.061 0.000 2.012 416 L HA -0.275 4.064 4.340 -0.000 0.000 0.210 416 L C 2.528 179.332 176.870 -0.111 0.000 1.073 416 L CA 1.463 56.182 54.840 -0.202 0.000 0.748 416 L CB -0.779 41.187 42.059 -0.154 0.000 0.891 416 L HN 0.315 nan 8.230 nan 0.000 0.431 417 L N -0.295 120.891 121.223 -0.063 0.000 2.017 417 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 417 L C 2.785 179.627 176.870 -0.046 0.000 1.073 417 L CA 1.545 56.364 54.840 -0.034 0.000 0.745 417 L CB -0.450 41.598 42.059 -0.019 0.000 0.894 417 L HN 0.414 nan 8.230 nan 0.000 0.432 418 Q N -0.174 119.578 119.800 -0.081 0.000 2.230 418 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 418 Q C 1.775 177.713 176.000 -0.103 0.000 0.963 418 Q CA 1.542 57.295 55.803 -0.083 0.000 0.866 418 Q CB -0.469 28.216 28.738 -0.088 0.000 0.931 418 Q HN 0.338 nan 8.270 nan 0.000 0.452 419 A N -0.144 122.582 122.820 -0.157 0.000 2.218 419 A HA 0.311 4.630 4.320 -0.000 0.000 0.209 419 A C 1.513 179.123 177.584 0.043 0.000 1.168 419 A CA 0.374 52.353 52.037 -0.098 0.000 0.804 419 A CB 0.048 18.927 19.000 -0.201 0.000 0.834 419 A HN 0.380 nan 8.150 nan 0.000 0.482 420 L N -2.199 119.048 121.223 0.040 0.000 3.128 420 L HA 0.291 4.631 4.340 -0.000 0.000 0.277 420 L C 1.237 178.128 176.870 0.034 0.000 1.171 420 L CA 0.059 54.942 54.840 0.070 0.000 1.008 420 L CB 0.639 42.773 42.059 0.124 0.000 1.442 420 L HN 0.357 nan 8.230 nan 0.000 0.584 421 G N 0.000 108.808 108.800 0.013 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 421 G CA 0.000 45.105 45.100 0.009 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925