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 1x6v_1_A DATA FIRST_RESID 34 DATA SEQUENCE HVSRNKRGQV VGTRGGFRGC TVWLTGLSGA GKTTVSMALE EYLVCHGIPC DATA SEQUENCE YTLDGDNIRQ GLNKNLGFSP EDREENVRRI AEVAKLFADA GLVCITSFIS DATA SEQUENCE PYTQDRNNAR QIHEGASLPF FEVFVDAXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXEYE KPEAPELVLK TDSCDVNDCV QQVVELLQER DIVPVDASYE DATA SEQUENCE VKELYVPENK LHLAKTDAET LPALKINKVD MQWVQVLAEG WATPLNGFMR DATA SEQUENCE EREYLQCLHF DCLLDGGVIN LSVPIVLTAT HEDKERLDGC TAFALMYEGR DATA SEQUENCE RVAILRNPEF FEHRKEERCA RQWGTTCKNH PYIKMVMEQG DWLIGGDLQV DATA SEQUENCE LDRVYWNDGL DQYRLTPTEL KQKFKDMNAD AVSAFQLRNP VHNGHALLMQ DATA SEQUENCE DTHKQLLERG YRRPVLLLHP LGGWTKDDDV PLMWRMKQHA AVLEEGVLNP DATA SEQUENCE ETTVVAIFPS PMMYAGPTEV QWHCRARMVA GANFYIVGRD PAGMPHPETG DATA SEQUENCE KDLYEPSHGA KVLTMAPGLI TLEIVPFRVA AYNKKKKRMD YYDSEHHEDF DATA SEQUENCE EFISGTRMRK LAREGQKPPE GFMAPKAWTV LTEYYKSLEK AXXXHHH 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 34 H HA 0.000 nan 4.556 nan 0.000 0.296 34 H C 0.000 175.315 175.328 -0.021 0.000 0.993 34 H CA 0.000 56.035 56.048 -0.021 0.000 1.023 34 H CB 0.000 29.747 29.762 -0.024 0.000 1.292 35 V N 1.903 121.899 119.914 0.136 0.000 2.872 35 V HA 0.098 4.219 4.120 0.001 0.000 0.307 35 V C 1.132 177.252 176.094 0.043 0.000 1.072 35 V CA 0.135 62.474 62.300 0.065 0.000 1.148 35 V CB 0.894 32.751 31.823 0.056 0.000 0.954 35 V HN 0.818 nan 8.190 nan 0.000 0.490 36 S N 4.640 120.345 115.700 0.008 0.000 2.603 36 S HA 0.286 4.757 4.470 0.001 0.000 0.268 36 S C 1.012 175.571 174.600 -0.069 0.000 1.317 36 S CA -0.486 57.692 58.200 -0.036 0.000 1.012 36 S CB 0.769 63.944 63.200 -0.042 0.000 0.926 36 S HN 0.602 nan 8.310 nan 0.000 0.539 37 R N 1.117 121.501 120.500 -0.193 0.000 2.103 37 R HA -0.188 4.152 4.340 0.001 0.000 0.242 37 R C 2.209 178.387 176.300 -0.204 0.000 1.142 37 R CA 2.004 57.854 56.100 -0.417 0.000 0.960 37 R CB -0.804 28.887 30.300 -1.015 0.000 0.858 37 R HN 0.855 nan 8.270 nan 0.000 0.439 38 N N 0.763 119.384 118.700 -0.133 0.000 2.120 38 N HA -0.167 4.574 4.740 0.001 0.000 0.188 38 N C 1.372 176.917 175.510 0.057 0.000 1.024 38 N CA 1.560 54.611 53.050 0.002 0.000 0.852 38 N CB 0.141 38.620 38.487 -0.012 0.000 1.003 38 N HN 0.117 nan 8.380 nan 0.000 0.424 39 K N -0.265 120.155 120.400 0.034 0.000 2.076 39 K HA 0.079 4.400 4.320 0.001 0.000 0.204 39 K C 2.147 178.793 176.600 0.075 0.000 1.051 39 K CA 0.688 57.003 56.287 0.048 0.000 0.949 39 K CB -0.000 32.518 32.500 0.030 0.000 0.726 39 K HN 0.132 nan 8.250 nan 0.000 0.443 40 R N 0.197 120.751 120.500 0.089 0.000 2.096 40 R HA -0.091 4.250 4.340 0.001 0.000 0.235 40 R C 2.379 178.788 176.300 0.182 0.000 1.127 40 R CA 1.299 57.472 56.100 0.122 0.000 0.968 40 R CB -0.441 29.934 30.300 0.125 0.000 0.861 40 R HN 0.311 nan 8.270 nan 0.000 0.440 41 G N 0.701 109.668 108.800 0.278 0.000 2.480 41 G HA2 -0.332 3.629 3.960 0.001 0.000 0.216 41 G HA3 -0.332 3.629 3.960 0.001 0.000 0.216 41 G C 1.250 176.243 174.900 0.155 0.000 1.200 41 G CA 0.535 45.822 45.100 0.312 0.000 0.782 41 G HN 0.229 nan 8.290 nan 0.000 0.554 42 Q N -0.205 119.671 119.800 0.126 0.000 2.389 42 Q HA -0.104 4.237 4.340 0.001 0.000 0.213 42 Q C 2.570 178.608 176.000 0.063 0.000 0.989 42 Q CA 1.559 57.411 55.803 0.082 0.000 0.891 42 Q CB -0.173 28.605 28.738 0.067 0.000 0.923 42 Q HN 0.583 nan 8.270 nan 0.000 0.455 43 V N -5.721 114.232 119.914 0.065 0.000 3.661 43 V HA 0.142 4.263 4.120 0.001 0.000 0.271 43 V C 1.698 177.819 176.094 0.045 0.000 1.315 43 V CA 0.285 62.613 62.300 0.048 0.000 1.072 43 V CB 0.038 31.885 31.823 0.041 0.000 0.830 43 V HN 0.019 nan 8.190 nan 0.000 0.443 44 V N 1.928 121.875 119.914 0.054 0.000 2.261 44 V HA 0.111 4.231 4.120 0.001 0.000 0.246 44 V C 1.727 177.840 176.094 0.033 0.000 1.047 44 V CA 2.241 64.567 62.300 0.044 0.000 1.015 44 V CB -0.794 31.056 31.823 0.044 0.000 0.642 44 V HN 0.743 nan 8.190 nan 0.000 0.446 45 G N -2.553 106.265 108.800 0.029 0.000 3.075 45 G HA2 0.364 4.325 3.960 0.001 0.000 0.253 45 G HA3 0.364 4.325 3.960 0.001 0.000 0.253 45 G C 0.465 175.378 174.900 0.022 0.000 1.353 45 G CA 0.630 45.745 45.100 0.024 0.000 1.051 45 G HN -0.017 nan 8.290 nan 0.000 0.553 46 T N -0.716 113.848 114.554 0.017 0.000 3.107 46 T HA 0.141 4.492 4.350 0.001 0.000 0.249 46 T C 1.853 176.563 174.700 0.016 0.000 1.096 46 T CA 0.377 62.484 62.100 0.011 0.000 1.012 46 T CB -0.241 68.626 68.868 -0.000 0.000 0.977 46 T HN 0.277 nan 8.240 nan 0.000 0.527 47 R N 0.256 120.771 120.500 0.025 0.000 2.307 47 R HA 0.320 4.661 4.340 0.001 0.000 0.200 47 R C 1.009 177.334 176.300 0.041 0.000 0.893 47 R CA 0.504 56.624 56.100 0.032 0.000 1.042 47 R CB 0.382 30.703 30.300 0.036 0.000 1.059 47 R HN 0.385 nan 8.270 nan 0.000 0.530 48 G N 0.660 109.487 108.800 0.044 0.000 2.999 48 G HA2 0.141 4.102 3.960 0.001 0.000 0.686 48 G HA3 0.141 4.102 3.960 0.001 0.000 0.686 48 G C 0.016 174.956 174.900 0.067 0.000 1.057 48 G CA -0.163 44.971 45.100 0.056 0.000 0.784 48 G HN 0.573 nan 8.290 nan 0.000 0.575 49 G N 0.327 109.180 108.800 0.088 0.000 2.697 49 G HA2 0.403 4.364 3.960 0.001 0.000 0.686 49 G HA3 0.403 4.364 3.960 0.001 0.000 0.686 49 G C -0.362 174.627 174.900 0.148 0.000 1.179 49 G CA 0.058 45.228 45.100 0.116 0.000 0.765 49 G HN 2.045 nan 8.290 nan 0.000 0.649 50 F N 2.713 122.697 119.950 0.057 0.000 2.427 50 F HA 0.669 5.196 4.527 0.001 0.000 0.352 50 F C 1.622 177.470 175.800 0.080 0.000 1.100 50 F CA -0.189 57.850 58.000 0.065 0.000 1.191 50 F CB 0.771 39.806 39.000 0.058 0.000 1.128 50 F HN 0.595 nan 8.300 nan 0.000 0.533 51 R N 3.797 123.956 120.500 -0.569 0.000 2.582 51 R HA 0.328 4.669 4.340 0.001 0.000 0.453 51 R C 0.136 176.198 176.300 -0.396 0.000 0.969 51 R CA -0.396 55.531 56.100 -0.287 0.000 1.113 51 R CB -0.214 30.030 30.300 -0.092 0.000 1.507 51 R HN 0.741 nan 8.270 nan 0.000 0.587 52 G N 1.299 109.518 108.800 -0.968 0.000 2.414 52 G HA2 0.331 4.292 3.960 0.001 0.000 0.236 52 G HA3 0.331 4.292 3.960 0.001 0.000 0.236 52 G C 0.221 175.136 174.900 0.026 0.000 1.293 52 G CA 0.516 45.382 45.100 -0.391 0.000 0.869 52 G HN 0.657 nan 8.290 nan 0.000 0.556 53 C N -1.119 118.256 119.300 0.126 0.000 3.165 53 C HA 0.792 5.252 4.460 0.001 0.000 0.345 53 C C -0.410 174.682 174.990 0.171 0.000 1.367 53 C CA -0.973 58.143 59.018 0.163 0.000 1.205 53 C CB 1.240 29.108 27.740 0.214 0.000 1.447 53 C HN 0.832 nan 8.230 nan 0.000 0.451 54 T N 1.315 115.904 114.554 0.059 0.000 2.841 54 T HA 0.605 4.956 4.350 0.001 0.000 0.285 54 T C -0.716 173.940 174.700 -0.074 0.000 0.991 54 T CA -0.276 61.839 62.100 0.024 0.000 0.966 54 T CB 1.484 70.340 68.868 -0.020 0.000 0.962 54 T HN 0.831 nan 8.240 nan 0.000 0.438 55 V N 4.621 124.561 119.914 0.043 0.000 2.334 55 V HA 0.305 4.426 4.120 0.001 0.000 0.267 55 V C -0.480 175.597 176.094 -0.028 0.000 1.040 55 V CA -0.901 61.429 62.300 0.050 0.000 0.866 55 V CB 0.664 32.528 31.823 0.067 0.000 1.019 55 V HN 0.793 nan 8.190 nan 0.000 0.468 56 W N 7.583 128.699 121.300 -0.306 0.000 2.288 56 W HA 0.485 5.146 4.660 0.001 0.000 0.325 56 W C -0.904 175.572 176.519 -0.072 0.000 1.019 56 W CA -1.001 56.205 57.345 -0.231 0.000 1.403 56 W CB 1.037 30.203 29.460 -0.490 0.000 1.226 56 W HN 0.430 nan 8.180 nan 0.000 0.391 57 L N 5.233 126.382 121.223 -0.124 0.000 2.426 57 L HA 0.330 4.670 4.340 0.001 0.000 0.271 57 L C 0.761 177.675 176.870 0.074 0.000 1.169 57 L CA 0.513 55.344 54.840 -0.015 0.000 0.836 57 L CB 1.046 43.040 42.059 -0.107 0.000 1.112 57 L HN 0.267 nan 8.230 nan 0.000 0.465 58 T N 1.092 115.799 114.554 0.254 0.000 2.894 58 T HA 0.775 5.126 4.350 0.001 0.000 0.309 58 T C -0.648 174.272 174.700 0.367 0.000 1.208 58 T CA 0.121 62.445 62.100 0.374 0.000 1.016 58 T CB 1.823 71.017 68.868 0.543 0.000 1.192 58 T HN 1.050 nan 8.240 nan 0.000 0.491 59 G N 1.891 110.843 108.800 0.254 0.000 2.317 59 G HA2 0.139 4.100 3.960 0.001 0.000 0.445 59 G HA3 0.139 4.100 3.960 0.001 0.000 0.445 59 G C 0.265 175.050 174.900 -0.191 0.000 1.486 59 G CA -0.342 44.684 45.100 -0.124 0.000 0.991 59 G HN 0.854 nan 8.290 nan 0.000 0.660 60 L N 0.293 121.311 121.223 -0.342 0.000 2.093 60 L HA 0.080 4.421 4.340 0.001 0.000 0.208 60 L C 2.186 178.991 176.870 -0.108 0.000 1.085 60 L CA 1.462 56.196 54.840 -0.176 0.000 0.755 60 L CB -0.316 41.638 42.059 -0.175 0.000 0.904 60 L HN 0.586 nan 8.230 nan 0.000 0.435 61 S N 0.381 116.009 115.700 -0.120 0.000 2.509 61 S HA 0.117 4.588 4.470 0.001 0.000 0.287 61 S C 1.236 175.782 174.600 -0.090 0.000 1.248 61 S CA 0.052 58.193 58.200 -0.099 0.000 1.089 61 S CB 1.194 64.328 63.200 -0.110 0.000 0.900 61 S HN 0.336 nan 8.310 nan 0.000 0.496 62 G N 4.349 113.102 108.800 -0.079 0.000 2.404 62 G HA2 -0.028 3.932 3.960 0.001 0.000 0.214 62 G HA3 -0.028 3.932 3.960 0.001 0.000 0.214 62 G C 1.603 176.448 174.900 -0.092 0.000 1.189 62 G CA 0.611 45.660 45.100 -0.084 0.000 0.789 62 G HN 0.941 nan 8.290 nan 0.000 0.533 63 A N 0.867 123.638 122.820 -0.081 0.000 1.933 63 A HA 0.138 4.458 4.320 0.001 0.000 0.218 63 A C 2.671 180.202 177.584 -0.088 0.000 1.175 63 A CA 2.148 54.137 52.037 -0.080 0.000 0.628 63 A CB -1.069 17.890 19.000 -0.068 0.000 0.814 63 A HN 0.540 nan 8.150 nan 0.000 0.444 64 G N -0.317 108.428 108.800 -0.092 0.000 2.421 64 G HA2 -0.235 3.726 3.960 0.001 0.000 0.216 64 G HA3 -0.235 3.726 3.960 0.001 0.000 0.216 64 G C 1.708 176.545 174.900 -0.104 0.000 1.171 64 G CA 1.107 46.148 45.100 -0.098 0.000 0.775 64 G HN 0.565 nan 8.290 nan 0.000 0.543 65 K N -0.314 120.020 120.400 -0.110 0.000 2.057 65 K HA -0.030 4.290 4.320 0.001 0.000 0.206 65 K C 2.802 179.317 176.600 -0.141 0.000 1.050 65 K CA 1.483 57.696 56.287 -0.123 0.000 0.935 65 K CB -0.337 32.080 32.500 -0.139 0.000 0.715 65 K HN 0.194 nan 8.250 nan 0.000 0.439 66 T N 0.833 115.303 114.554 -0.140 0.000 2.737 66 T HA -0.134 4.217 4.350 0.001 0.000 0.265 66 T C 2.118 176.746 174.700 -0.119 0.000 1.038 66 T CA 1.990 64.004 62.100 -0.144 0.000 1.144 66 T CB -0.402 68.388 68.868 -0.131 0.000 0.866 66 T HN 0.499 nan 8.240 nan 0.000 0.434 67 T N 0.790 115.283 114.554 -0.101 0.000 2.746 67 T HA -0.074 4.277 4.350 0.001 0.000 0.267 67 T C 2.054 176.701 174.700 -0.088 0.000 1.039 67 T CA 1.106 63.154 62.100 -0.087 0.000 1.142 67 T CB -0.953 67.870 68.868 -0.076 0.000 0.866 67 T HN 0.187 nan 8.240 nan 0.000 0.444 68 V N 2.801 122.658 119.914 -0.095 0.000 2.307 68 V HA -0.176 3.945 4.120 0.001 0.000 0.245 68 V C 3.252 179.287 176.094 -0.099 0.000 1.045 68 V CA 2.096 64.340 62.300 -0.094 0.000 1.024 68 V CB -1.074 30.692 31.823 -0.095 0.000 0.651 68 V HN 0.799 nan 8.190 nan 0.000 0.449 69 S N -0.421 115.208 115.700 -0.118 0.000 2.368 69 S HA -0.247 4.223 4.470 0.001 0.000 0.225 69 S C 1.998 176.529 174.600 -0.115 0.000 1.030 69 S CA 1.659 59.780 58.200 -0.131 0.000 0.999 69 S CB -0.468 62.624 63.200 -0.179 0.000 0.844 69 S HN 0.353 nan 8.310 nan 0.000 0.459 70 M N 2.079 121.612 119.600 -0.112 0.000 2.132 70 M HA 0.203 4.684 4.480 0.001 0.000 0.263 70 M C 2.654 178.914 176.300 -0.067 0.000 1.065 70 M CA 1.419 56.661 55.300 -0.096 0.000 1.122 70 M CB -1.966 30.578 32.600 -0.093 0.000 1.365 70 M HN 0.553 nan 8.290 nan 0.000 0.411 71 A N -0.206 122.579 122.820 -0.059 0.000 1.930 71 A HA -0.125 4.195 4.320 0.001 0.000 0.217 71 A C 2.194 179.778 177.584 -0.000 0.000 1.175 71 A CA 1.190 53.208 52.037 -0.033 0.000 0.627 71 A CB -0.820 18.156 19.000 -0.041 0.000 0.815 71 A HN 0.415 nan 8.150 nan 0.000 0.443 72 L N 0.207 121.415 121.223 -0.025 0.000 2.056 72 L HA -0.115 4.226 4.340 0.001 0.000 0.207 72 L C 2.249 179.149 176.870 0.049 0.000 1.078 72 L CA 2.634 57.473 54.840 -0.001 0.000 0.749 72 L CB -0.643 41.386 42.059 -0.051 0.000 0.901 72 L HN 0.610 nan 8.230 nan 0.000 0.433 73 E N -0.511 119.685 120.200 -0.006 0.000 2.058 73 E HA -0.319 4.032 4.350 0.001 0.000 0.194 73 E C 2.115 178.718 176.600 0.004 0.000 0.997 73 E CA 1.597 57.989 56.400 -0.013 0.000 0.801 73 E CB -0.196 29.464 29.700 -0.066 0.000 0.746 73 E HN 0.687 nan 8.360 nan 0.000 0.450 74 E N -0.711 119.485 120.200 -0.008 0.000 2.077 74 E HA -0.246 4.105 4.350 0.001 0.000 0.193 74 E C 1.982 178.573 176.600 -0.014 0.000 0.989 74 E CA 1.297 57.676 56.400 -0.035 0.000 0.800 74 E CB -0.296 29.373 29.700 -0.052 0.000 0.746 74 E HN 0.402 nan 8.360 nan 0.000 0.452 75 Y N 1.054 121.332 120.300 -0.037 0.000 2.145 75 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 75 Y C 1.900 177.879 175.900 0.131 0.000 1.145 75 Y CA 1.815 59.941 58.100 0.044 0.000 1.148 75 Y CB -0.274 38.181 38.460 -0.007 0.000 0.981 75 Y HN 0.023 nan 8.280 nan 0.000 0.507 76 L N -1.113 120.242 121.223 0.220 0.000 2.012 76 L HA -0.255 4.086 4.340 0.001 0.000 0.210 76 L C 2.390 179.270 176.870 0.016 0.000 1.073 76 L CA 1.396 56.315 54.840 0.132 0.000 0.748 76 L CB -0.947 41.189 42.059 0.129 0.000 0.891 76 L HN 0.122 nan 8.230 nan 0.000 0.431 77 V N -1.122 118.784 119.914 -0.014 0.000 2.343 77 V HA -0.313 3.808 4.120 0.001 0.000 0.247 77 V C 2.544 178.573 176.094 -0.109 0.000 1.051 77 V CA 1.752 64.026 62.300 -0.043 0.000 1.036 77 V CB -0.470 31.328 31.823 -0.042 0.000 0.654 77 V HN 0.573 nan 8.190 nan 0.000 0.451 78 C N -0.457 118.714 119.300 -0.214 0.000 2.419 78 C HA -0.125 4.336 4.460 0.001 0.000 0.281 78 C C 2.008 176.713 174.990 -0.476 0.000 1.336 78 C CA 0.889 59.653 59.018 -0.423 0.000 1.770 78 C CB -1.332 25.932 27.740 -0.792 0.000 1.929 78 C HN 0.693 nan 8.230 nan 0.000 0.509 79 H N -0.890 118.035 119.070 -0.242 0.000 2.487 79 H HA 0.344 4.901 4.556 0.001 0.000 0.290 79 H C 1.473 176.754 175.328 -0.078 0.000 1.081 79 H CA 0.617 56.562 56.048 -0.171 0.000 1.116 79 H CB -0.350 29.194 29.762 -0.363 0.000 1.560 79 H HN 0.363 nan 8.280 nan 0.000 0.548 80 G N 1.006 109.797 108.800 -0.014 0.000 2.160 80 G HA2 -0.279 3.682 3.960 0.001 0.000 0.251 80 G HA3 -0.279 3.682 3.960 0.001 0.000 0.251 80 G C -0.018 174.895 174.900 0.023 0.000 1.008 80 G CA 0.058 45.159 45.100 0.001 0.000 0.724 80 G HN 0.414 nan 8.290 nan 0.000 0.514 81 I N 1.971 122.561 120.570 0.033 0.000 2.390 81 I HA 0.277 4.447 4.170 0.001 0.000 0.283 81 I C -1.985 174.157 176.117 0.042 0.000 1.016 81 I CA -2.447 58.879 61.300 0.042 0.000 1.151 81 I CB 1.858 39.897 38.000 0.065 0.000 1.293 81 I HN -0.132 nan 8.210 nan 0.000 0.458 82 P HA 0.082 nan 4.420 nan 0.000 0.268 82 P C -0.710 176.634 177.300 0.074 0.000 1.205 82 P CA -0.162 62.972 63.100 0.056 0.000 0.771 82 P CB 0.556 32.290 31.700 0.057 0.000 0.858 83 C N 1.785 121.142 119.300 0.094 0.000 3.318 83 C HA 0.824 5.285 4.460 0.001 0.000 0.322 83 C C -1.594 173.487 174.990 0.151 0.000 1.398 83 C CA -0.917 58.160 59.018 0.099 0.000 1.339 83 C CB 1.182 28.954 27.740 0.054 0.000 1.668 83 C HN 0.586 nan 8.230 nan 0.000 0.462 84 Y N -0.403 119.842 120.300 -0.093 0.000 2.480 84 Y HA 0.590 5.140 4.550 0.001 0.000 0.329 84 Y C -0.559 175.190 175.900 -0.252 0.000 1.127 84 Y CA -0.002 57.974 58.100 -0.208 0.000 1.037 84 Y CB 2.039 40.254 38.460 -0.407 0.000 1.320 84 Y HN 0.959 nan 8.280 nan 0.000 0.446 85 T N 6.669 120.759 114.554 -0.773 0.000 2.771 85 T HA 0.553 4.903 4.350 0.001 0.000 0.281 85 T C -0.665 173.678 174.700 -0.595 0.000 0.982 85 T CA -0.557 61.216 62.100 -0.545 0.000 0.978 85 T CB 0.437 69.058 68.868 -0.413 0.000 0.930 85 T HN 0.436 nan 8.240 nan 0.000 0.447 86 L N 5.011 126.056 121.223 -0.298 0.000 2.264 86 L HA 0.575 4.916 4.340 0.001 0.000 0.289 86 L C -0.054 176.713 176.870 -0.172 0.000 1.044 86 L CA -0.734 54.053 54.840 -0.089 0.000 0.807 86 L CB 0.683 42.818 42.059 0.127 0.000 1.192 86 L HN 0.736 nan 8.230 nan 0.000 0.425 87 D N 1.494 121.767 120.400 -0.213 0.000 2.812 87 D HA 0.260 4.901 4.640 0.001 0.000 0.318 87 D C 0.934 177.102 176.300 -0.220 0.000 1.234 87 D CA -0.247 53.393 54.000 -0.599 0.000 0.989 87 D CB 0.752 41.258 40.800 -0.491 0.000 1.442 87 D HN 0.285 nan 8.370 nan 0.000 0.537 88 G N -0.678 107.968 108.800 -0.256 0.000 2.442 88 G HA2 -0.246 3.715 3.960 0.001 0.000 0.219 88 G HA3 -0.246 3.715 3.960 0.001 0.000 0.219 88 G C 0.825 175.740 174.900 0.025 0.000 1.141 88 G CA 0.963 46.077 45.100 0.022 0.000 0.763 88 G HN 0.527 nan 8.290 nan 0.000 0.554 89 D N 0.662 121.037 120.400 -0.042 0.000 2.312 89 D HA -0.073 4.567 4.640 0.001 0.000 0.211 89 D C 1.933 178.235 176.300 0.004 0.000 0.964 89 D CA 1.112 55.097 54.000 -0.024 0.000 0.877 89 D CB 0.008 40.774 40.800 -0.057 0.000 0.924 89 D HN 0.560 nan 8.370 nan 0.000 0.515 90 N N -0.488 118.222 118.700 0.017 0.000 2.181 90 N HA -0.019 4.722 4.740 0.001 0.000 0.207 90 N C 1.129 176.703 175.510 0.107 0.000 1.182 90 N CA -0.022 53.064 53.050 0.060 0.000 0.893 90 N CB 0.309 38.831 38.487 0.057 0.000 1.032 90 N HN 0.027 nan 8.380 nan 0.000 0.513 91 I N 0.573 121.224 120.570 0.136 0.000 3.039 91 I HA 0.187 4.358 4.170 0.001 0.000 0.270 91 I C 2.347 178.534 176.117 0.116 0.000 1.150 91 I CA 0.262 61.653 61.300 0.152 0.000 1.448 91 I CB -0.620 37.516 38.000 0.226 0.000 1.197 91 I HN 0.139 nan 8.210 nan 0.000 0.450 92 R N 0.938 121.513 120.500 0.125 0.000 2.081 92 R HA -0.145 4.196 4.340 0.001 0.000 0.235 92 R C 1.533 177.875 176.300 0.070 0.000 1.131 92 R CA 1.369 57.528 56.100 0.098 0.000 0.960 92 R CB 0.213 30.572 30.300 0.099 0.000 0.856 92 R HN 0.310 nan 8.270 nan 0.000 0.436 93 Q N -1.211 118.626 119.800 0.063 0.000 2.247 93 Q HA 0.166 4.507 4.340 0.001 0.000 0.204 93 Q C 0.647 176.677 176.000 0.051 0.000 0.872 93 Q CA 0.480 56.313 55.803 0.050 0.000 0.951 93 Q CB 1.821 30.584 28.738 0.043 0.000 1.099 93 Q HN 0.462 nan 8.270 nan 0.000 0.501 94 G N 0.276 109.113 108.800 0.060 0.000 2.542 94 G HA2 0.054 4.015 3.960 0.001 0.000 0.208 94 G HA3 0.054 4.015 3.960 0.001 0.000 0.208 94 G C 0.856 175.790 174.900 0.057 0.000 1.976 94 G CA -0.176 44.961 45.100 0.060 0.000 0.722 94 G HN 0.202 nan 8.290 nan 0.000 0.798 95 L N 1.057 122.320 121.223 0.068 0.000 2.079 95 L HA 0.072 4.413 4.340 0.001 0.000 0.210 95 L C 1.123 178.019 176.870 0.044 0.000 1.081 95 L CA 1.738 56.614 54.840 0.059 0.000 0.752 95 L CB -0.425 41.679 42.059 0.075 0.000 0.896 95 L HN 0.199 nan 8.230 nan 0.000 0.433 96 N N -0.430 118.296 118.700 0.044 0.000 2.273 96 N HA 0.027 4.768 4.740 0.001 0.000 0.231 96 N C 1.152 176.683 175.510 0.034 0.000 1.134 96 N CA 0.264 53.333 53.050 0.031 0.000 0.856 96 N CB 0.011 38.510 38.487 0.019 0.000 1.068 96 N HN 0.554 nan 8.380 nan 0.000 0.510 97 K N 0.416 120.838 120.400 0.036 0.000 2.283 97 K HA -0.069 4.252 4.320 0.001 0.000 0.202 97 K C 0.436 177.049 176.600 0.023 0.000 1.048 97 K CA 1.088 57.395 56.287 0.033 0.000 0.948 97 K CB -0.065 32.455 32.500 0.033 0.000 0.742 97 K HN 0.033 nan 8.250 nan 0.000 0.458 98 N N 1.163 119.873 118.700 0.016 0.000 2.276 98 N HA 0.100 4.841 4.740 0.001 0.000 0.212 98 N C -0.460 175.047 175.510 -0.005 0.000 1.127 98 N CA -0.173 52.880 53.050 0.004 0.000 0.834 98 N CB 0.109 38.598 38.487 0.003 0.000 1.014 98 N HN 0.175 nan 8.380 nan 0.000 0.491 99 L N -0.269 120.954 121.223 0.001 0.000 2.346 99 L HA 0.728 5.069 4.340 0.001 0.000 0.276 99 L C 0.740 177.607 176.870 -0.006 0.000 1.006 99 L CA -1.020 53.816 54.840 -0.007 0.000 0.817 99 L CB 2.054 44.117 42.059 0.007 0.000 1.272 99 L HN 0.154 nan 8.230 nan 0.000 0.421 100 G N 0.998 109.768 108.800 -0.049 0.000 3.039 100 G HA2 0.326 4.287 3.960 0.001 0.000 0.159 100 G HA3 0.326 4.287 3.960 0.001 0.000 0.159 100 G C -0.070 174.818 174.900 -0.020 0.000 1.284 100 G CA -0.278 44.776 45.100 -0.077 0.000 0.996 100 G HN 0.566 nan 8.290 nan 0.000 0.592 101 F N 0.700 120.674 119.950 0.039 0.000 2.695 101 F HA 0.371 4.899 4.527 0.001 0.000 0.303 101 F C 1.285 177.115 175.800 0.051 0.000 1.091 101 F CA -0.718 57.311 58.000 0.048 0.000 1.300 101 F CB -0.786 38.241 39.000 0.046 0.000 1.071 101 F HN 0.236 nan 8.300 nan 0.000 0.578 102 S N 1.262 116.909 115.700 -0.089 0.000 2.563 102 S HA 0.114 4.585 4.470 0.001 0.000 0.284 102 S C -1.516 173.136 174.600 0.087 0.000 1.331 102 S CA -0.723 57.485 58.200 0.013 0.000 1.047 102 S CB 0.873 64.022 63.200 -0.086 0.000 0.859 102 S HN 0.005 nan 8.310 nan 0.000 0.514 103 P HA -0.102 nan 4.420 nan 0.000 0.216 103 P C 1.097 178.431 177.300 0.057 0.000 1.150 103 P CA 1.387 64.539 63.100 0.086 0.000 0.843 103 P CB 0.009 31.737 31.700 0.046 0.000 0.787 104 E N -0.709 119.507 120.200 0.027 0.000 2.072 104 E HA -0.159 4.192 4.350 0.001 0.000 0.191 104 E C 1.730 178.340 176.600 0.018 0.000 0.985 104 E CA 1.229 57.636 56.400 0.013 0.000 0.801 104 E CB -0.893 28.805 29.700 -0.004 0.000 0.750 104 E HN 0.251 nan 8.360 nan 0.000 0.452 105 D N -0.027 120.380 120.400 0.011 0.000 2.117 105 D HA -0.075 4.565 4.640 0.001 0.000 0.198 105 D C 1.859 178.183 176.300 0.041 0.000 0.982 105 D CA 0.867 54.873 54.000 0.010 0.000 0.828 105 D CB -0.069 40.718 40.800 -0.023 0.000 0.967 105 D HN 0.056 nan 8.370 nan 0.000 0.464 106 R N 0.402 120.949 120.500 0.078 0.000 2.092 106 R HA -0.076 4.264 4.340 0.001 0.000 0.231 106 R C 2.183 178.546 176.300 0.105 0.000 1.119 106 R CA 1.008 57.173 56.100 0.109 0.000 0.970 106 R CB -0.120 30.282 30.300 0.169 0.000 0.864 106 R HN 0.287 nan 8.270 nan 0.000 0.440 107 E N 0.827 121.085 120.200 0.097 0.000 2.051 107 E HA -0.253 4.098 4.350 0.001 0.000 0.192 107 E C 1.817 178.449 176.600 0.054 0.000 0.991 107 E CA 1.376 57.825 56.400 0.083 0.000 0.799 107 E CB 0.135 29.867 29.700 0.053 0.000 0.748 107 E HN 0.124 nan 8.360 nan 0.000 0.449 108 E N 0.816 121.038 120.200 0.036 0.000 2.150 108 E HA -0.209 4.142 4.350 0.001 0.000 0.193 108 E C 1.669 178.282 176.600 0.020 0.000 0.985 108 E CA 1.501 57.915 56.400 0.023 0.000 0.814 108 E CB -0.351 29.357 29.700 0.013 0.000 0.752 108 E HN 0.241 nan 8.360 nan 0.000 0.466 109 N N -0.523 118.188 118.700 0.018 0.000 2.043 109 N HA -0.152 4.588 4.740 0.001 0.000 0.193 109 N C 1.586 177.073 175.510 -0.039 0.000 1.037 109 N CA 2.113 55.153 53.050 -0.016 0.000 0.851 109 N CB -0.250 38.233 38.487 -0.007 0.000 1.027 109 N HN 0.115 nan 8.380 nan 0.000 0.422 110 V N 0.585 120.511 119.914 0.020 0.000 2.453 110 V HA -0.087 4.034 4.120 0.001 0.000 0.247 110 V C 2.550 178.722 176.094 0.130 0.000 1.048 110 V CA 1.531 63.886 62.300 0.092 0.000 1.049 110 V CB -0.656 31.272 31.823 0.176 0.000 0.672 110 V HN 0.360 nan 8.190 nan 0.000 0.457 111 R N 0.235 120.781 120.500 0.077 0.000 2.073 111 R HA -0.147 4.194 4.340 0.001 0.000 0.234 111 R C 2.603 178.947 176.300 0.072 0.000 1.134 111 R CA 1.603 57.741 56.100 0.064 0.000 0.952 111 R CB -0.160 30.159 30.300 0.032 0.000 0.850 111 R HN 0.426 nan 8.270 nan 0.000 0.433 112 R N 0.064 120.594 120.500 0.050 0.000 2.081 112 R HA -0.121 4.219 4.340 0.001 0.000 0.235 112 R C 2.376 178.725 176.300 0.082 0.000 1.131 112 R CA 1.708 57.838 56.100 0.051 0.000 0.960 112 R CB -0.411 29.906 30.300 0.029 0.000 0.856 112 R HN 0.292 nan 8.270 nan 0.000 0.436 113 I N 0.634 121.240 120.570 0.060 0.000 2.179 113 I HA -0.277 3.894 4.170 0.001 0.000 0.242 113 I C 2.651 178.942 176.117 0.290 0.000 1.088 113 I CA 1.376 62.722 61.300 0.078 0.000 1.357 113 I CB -0.408 37.485 38.000 -0.178 0.000 1.051 113 I HN 0.186 nan 8.210 nan 0.000 0.409 114 A N 0.222 123.278 122.820 0.392 0.000 1.902 114 A HA -0.200 4.121 4.320 0.001 0.000 0.217 114 A C 2.243 179.998 177.584 0.285 0.000 1.181 114 A CA 1.549 53.875 52.037 0.482 0.000 0.623 114 A CB -0.441 18.730 19.000 0.284 0.000 0.818 114 A HN 0.373 nan 8.150 nan 0.000 0.443 115 E N -0.237 120.056 120.200 0.156 0.000 2.106 115 E HA -0.091 4.260 4.350 0.001 0.000 0.192 115 E C 2.152 178.819 176.600 0.113 0.000 0.984 115 E CA 1.229 57.673 56.400 0.074 0.000 0.806 115 E CB -0.405 29.320 29.700 0.042 0.000 0.750 115 E HN 0.420 nan 8.360 nan 0.000 0.458 116 V N 1.498 121.523 119.914 0.185 0.000 2.453 116 V HA -0.175 3.946 4.120 0.001 0.000 0.247 116 V C 2.423 178.756 176.094 0.399 0.000 1.048 116 V CA 1.513 63.966 62.300 0.254 0.000 1.049 116 V CB -0.687 31.305 31.823 0.280 0.000 0.672 116 V HN 0.214 nan 8.190 nan 0.000 0.457 117 A N -0.164 122.907 122.820 0.418 0.000 1.902 117 A HA -0.266 4.055 4.320 0.001 0.000 0.217 117 A C 2.356 180.237 177.584 0.494 0.000 1.181 117 A CA 2.138 54.485 52.037 0.517 0.000 0.623 117 A CB -0.501 18.864 19.000 0.609 0.000 0.818 117 A HN 0.470 nan 8.150 nan 0.000 0.443 118 K N -0.185 120.354 120.400 0.231 0.000 2.063 118 K HA -0.117 4.204 4.320 0.001 0.000 0.208 118 K C 1.893 178.530 176.600 0.061 0.000 1.048 118 K CA 1.506 57.743 56.287 -0.084 0.000 0.928 118 K CB -0.327 31.941 32.500 -0.386 0.000 0.713 118 K HN 0.532 nan 8.250 nan 0.000 0.442 119 L N -0.186 121.077 121.223 0.067 0.000 2.056 119 L HA -0.152 4.189 4.340 0.001 0.000 0.207 119 L C 2.379 179.223 176.870 -0.043 0.000 1.078 119 L CA 1.131 55.955 54.840 -0.026 0.000 0.749 119 L CB -0.521 41.473 42.059 -0.108 0.000 0.901 119 L HN 0.086 nan 8.230 nan 0.000 0.433 120 F N 0.333 120.344 119.950 0.102 0.000 2.126 120 F HA -0.237 4.290 4.527 0.001 0.000 0.299 120 F C 2.623 178.501 175.800 0.129 0.000 1.096 120 F CA 1.410 59.476 58.000 0.110 0.000 1.255 120 F CB -0.643 38.447 39.000 0.150 0.000 0.997 120 F HN 0.017 nan 8.300 nan 0.000 0.479 121 A N -0.453 122.568 122.820 0.337 0.000 1.898 121 A HA -0.237 4.083 4.320 0.001 0.000 0.216 121 A C 1.864 179.631 177.584 0.306 0.000 1.181 121 A CA 1.953 54.164 52.037 0.291 0.000 0.620 121 A CB -1.006 18.208 19.000 0.358 0.000 0.819 121 A HN 0.368 nan 8.150 nan 0.000 0.442 122 D N -0.067 120.481 120.400 0.247 0.000 2.178 122 D HA -0.026 4.615 4.640 0.001 0.000 0.201 122 D C 1.800 178.261 176.300 0.269 0.000 0.980 122 D CA 1.361 55.504 54.000 0.239 0.000 0.842 122 D CB -0.147 40.697 40.800 0.073 0.000 0.948 122 D HN 0.344 nan 8.370 nan 0.000 0.472 123 A N -0.965 121.951 122.820 0.160 0.000 2.167 123 A HA 0.382 4.703 4.320 0.001 0.000 0.214 123 A C 1.898 179.587 177.584 0.175 0.000 1.151 123 A CA 1.201 53.305 52.037 0.111 0.000 0.735 123 A CB -0.417 18.565 19.000 -0.030 0.000 0.802 123 A HN 0.500 nan 8.150 nan 0.000 0.467 124 G N -2.432 106.454 108.800 0.144 0.000 2.159 124 G HA2 -0.134 3.827 3.960 0.001 0.000 0.227 124 G HA3 -0.134 3.827 3.960 0.001 0.000 0.227 124 G C -0.158 174.650 174.900 -0.154 0.000 0.986 124 G CA 0.139 45.103 45.100 -0.226 0.000 0.651 124 G HN 0.332 nan 8.290 nan 0.000 0.523 125 L N 0.668 121.910 121.223 0.030 0.000 2.379 125 L HA 0.665 5.006 4.340 0.001 0.000 0.269 125 L C 0.897 177.825 176.870 0.095 0.000 1.084 125 L CA -0.758 54.140 54.840 0.097 0.000 0.802 125 L CB 1.841 44.045 42.059 0.243 0.000 1.175 125 L HN -0.027 nan 8.230 nan 0.000 0.448 126 V N 1.907 121.872 119.914 0.085 0.000 2.405 126 V HA 0.074 4.195 4.120 0.001 0.000 0.264 126 V C 0.038 176.198 176.094 0.110 0.000 1.048 126 V CA -0.404 61.954 62.300 0.098 0.000 0.966 126 V CB 0.815 32.685 31.823 0.079 0.000 1.015 126 V HN 0.810 nan 8.190 nan 0.000 0.477 127 C N 8.049 127.433 119.300 0.140 0.000 2.285 127 C HA 0.633 5.093 4.460 0.001 0.000 0.335 127 C C 0.020 175.041 174.990 0.051 0.000 1.267 127 C CA -0.687 58.397 59.018 0.110 0.000 1.762 127 C CB -1.053 26.826 27.740 0.230 0.000 2.365 127 C HN 0.782 nan 8.230 nan 0.000 0.527 128 I N 6.096 126.644 120.570 -0.037 0.000 2.377 128 I HA 0.401 4.572 4.170 0.001 0.000 0.293 128 I C 0.560 176.594 176.117 -0.139 0.000 0.987 128 I CA 0.146 61.398 61.300 -0.081 0.000 1.185 128 I CB 2.077 40.008 38.000 -0.115 0.000 1.341 128 I HN 0.741 nan 8.210 nan 0.000 0.455 129 T N 1.267 115.711 114.554 -0.183 0.000 2.856 129 T HA 0.517 4.868 4.350 0.001 0.000 0.283 129 T C -0.335 174.120 174.700 -0.407 0.000 1.008 129 T CA -0.765 61.172 62.100 -0.270 0.000 0.997 129 T CB 1.748 70.364 68.868 -0.420 0.000 0.992 129 T HN 0.443 nan 8.240 nan 0.000 0.454 130 S N 2.546 117.912 115.700 -0.557 0.000 2.389 130 S HA 0.635 5.106 4.470 0.001 0.000 0.201 130 S C -1.627 172.418 174.600 -0.926 0.000 1.422 130 S CA -0.768 57.079 58.200 -0.588 0.000 1.216 130 S CB -0.676 62.232 63.200 -0.486 0.000 1.130 130 S HN 0.587 nan 8.310 nan 0.000 0.465 131 F N 2.169 121.956 119.950 -0.272 0.000 2.588 131 F HA 0.535 5.063 4.527 0.001 0.000 0.310 131 F C 1.214 176.989 175.800 -0.041 0.000 1.082 131 F CA -1.113 56.802 58.000 -0.142 0.000 0.929 131 F CB 1.067 39.981 39.000 -0.144 0.000 1.254 131 F HN 0.251 nan 8.300 nan 0.000 0.455 132 I N 0.924 121.603 120.570 0.182 0.000 2.145 132 I HA -0.309 3.861 4.170 0.001 0.000 0.244 132 I C 1.098 177.402 176.117 0.311 0.000 1.075 132 I CA 1.634 63.048 61.300 0.191 0.000 1.332 132 I CB -0.524 37.559 38.000 0.138 0.000 1.033 132 I HN 0.795 nan 8.210 nan 0.000 0.410 133 S N -0.441 115.426 115.700 0.280 0.000 3.405 133 S HA -0.116 4.355 4.470 0.001 0.000 0.373 133 S C -1.152 173.527 174.600 0.132 0.000 0.939 133 S CA 0.388 58.766 58.200 0.297 0.000 1.295 133 S CB -1.780 61.791 63.200 0.618 0.000 0.919 133 S HN 0.359 nan 8.310 nan 0.000 0.535 134 P HA 0.003 nan 4.420 nan 0.000 0.223 134 P C 0.156 177.084 177.300 -0.621 0.000 1.151 134 P CA 1.048 63.891 63.100 -0.428 0.000 0.787 134 P CB -0.135 31.231 31.700 -0.557 0.000 0.788 135 Y N -0.626 119.616 120.300 -0.097 0.000 2.328 135 Y HA 0.202 4.753 4.550 0.001 0.000 0.337 135 Y C 2.089 177.913 175.900 -0.126 0.000 1.008 135 Y CA -0.813 57.214 58.100 -0.122 0.000 1.129 135 Y CB 0.745 39.172 38.460 -0.055 0.000 1.185 135 Y HN -0.298 nan 8.280 nan 0.000 0.476 136 T N 1.028 115.578 114.554 -0.007 0.000 2.649 136 T HA -0.356 3.995 4.350 0.001 0.000 0.268 136 T C 1.847 176.522 174.700 -0.042 0.000 1.036 136 T CA 2.222 64.289 62.100 -0.055 0.000 1.157 136 T CB -0.145 68.683 68.868 -0.067 0.000 0.861 136 T HN 0.702 nan 8.240 nan 0.000 0.445 137 Q N 0.709 120.502 119.800 -0.013 0.000 2.045 137 Q HA -0.167 4.173 4.340 0.001 0.000 0.206 137 Q C 2.003 177.979 176.000 -0.041 0.000 0.991 137 Q CA 1.947 57.730 55.803 -0.034 0.000 0.851 137 Q CB -0.199 28.519 28.738 -0.033 0.000 0.911 137 Q HN 0.476 nan 8.270 nan 0.000 0.418 138 D N -0.632 119.776 120.400 0.013 0.000 2.117 138 D HA -0.130 4.511 4.640 0.001 0.000 0.198 138 D C 1.928 178.161 176.300 -0.112 0.000 0.982 138 D CA 1.037 55.037 54.000 0.001 0.000 0.828 138 D CB -0.136 40.727 40.800 0.106 0.000 0.967 138 D HN 0.317 nan 8.370 nan 0.000 0.464 139 R N 0.567 120.989 120.500 -0.130 0.000 2.092 139 R HA -0.002 4.339 4.340 0.001 0.000 0.231 139 R C 2.021 178.099 176.300 -0.369 0.000 1.119 139 R CA 0.780 56.694 56.100 -0.311 0.000 0.970 139 R CB -0.310 29.881 30.300 -0.181 0.000 0.864 139 R HN 0.303 nan 8.270 nan 0.000 0.440 140 N N 0.628 119.184 118.700 -0.239 0.000 2.166 140 N HA -0.156 4.585 4.740 0.001 0.000 0.186 140 N C 1.700 177.040 175.510 -0.283 0.000 1.019 140 N CA 0.695 53.599 53.050 -0.243 0.000 0.856 140 N CB -0.139 38.259 38.487 -0.149 0.000 0.993 140 N HN 0.324 nan 8.380 nan 0.000 0.426 141 N N 1.343 119.904 118.700 -0.232 0.000 2.142 141 N HA -0.125 4.616 4.740 0.001 0.000 0.186 141 N C 1.800 177.148 175.510 -0.270 0.000 1.023 141 N CA 1.030 53.960 53.050 -0.199 0.000 0.852 141 N CB 0.015 38.427 38.487 -0.126 0.000 0.998 141 N HN 0.132 nan 8.380 nan 0.000 0.424 142 A N 1.932 124.526 122.820 -0.376 0.000 1.908 142 A HA -0.188 4.133 4.320 0.001 0.000 0.218 142 A C 2.276 179.438 177.584 -0.704 0.000 1.181 142 A CA 1.302 53.077 52.037 -0.436 0.000 0.627 142 A CB -0.778 17.759 19.000 -0.771 0.000 0.818 142 A HN 0.421 nan 8.150 nan 0.000 0.445 143 R N -0.966 118.797 120.500 -1.228 0.000 2.083 143 R HA -0.234 4.107 4.340 0.001 0.000 0.237 143 R C 2.372 178.322 176.300 -0.583 0.000 1.137 143 R CA 2.030 57.240 56.100 -1.484 0.000 0.951 143 R CB -0.287 29.391 30.300 -1.036 0.000 0.851 143 R HN 0.506 nan 8.270 nan 0.000 0.434 144 Q N 0.846 120.427 119.800 -0.366 0.000 2.167 144 Q HA -0.073 4.268 4.340 0.001 0.000 0.202 144 Q C 1.922 177.838 176.000 -0.141 0.000 0.970 144 Q CA 1.594 57.277 55.803 -0.200 0.000 0.855 144 Q CB -0.217 28.427 28.738 -0.157 0.000 0.911 144 Q HN 0.509 nan 8.270 nan 0.000 0.438 145 I N -0.336 120.150 120.570 -0.141 0.000 2.264 145 I HA -0.332 3.838 4.170 0.001 0.000 0.248 145 I C 1.694 177.731 176.117 -0.133 0.000 1.111 145 I CA 1.567 62.794 61.300 -0.121 0.000 1.382 145 I CB -0.191 37.739 38.000 -0.115 0.000 1.060 145 I HN 0.339 nan 8.210 nan 0.000 0.418 146 H N -0.049 118.949 119.070 -0.120 0.000 2.329 146 H HA -0.037 4.519 4.556 0.001 0.000 0.306 146 H C 2.164 177.469 175.328 -0.039 0.000 1.062 146 H CA 1.135 57.168 56.048 -0.026 0.000 1.364 146 H CB -0.010 29.785 29.762 0.055 0.000 1.409 146 H HN 0.242 nan 8.280 nan 0.000 0.519 147 E N -0.032 120.189 120.200 0.036 0.000 2.106 147 E HA -0.119 4.232 4.350 0.001 0.000 0.192 147 E C 2.457 179.051 176.600 -0.010 0.000 0.984 147 E CA 0.726 57.127 56.400 0.002 0.000 0.806 147 E CB -0.211 29.463 29.700 -0.044 0.000 0.750 147 E HN 0.555 nan 8.360 nan 0.000 0.458 148 G N 1.232 110.012 108.800 -0.033 0.000 2.475 148 G HA2 -0.265 3.695 3.960 0.001 0.000 0.220 148 G HA3 -0.265 3.695 3.960 0.001 0.000 0.220 148 G C 1.377 176.262 174.900 -0.025 0.000 1.125 148 G CA 0.860 45.939 45.100 -0.035 0.000 0.755 148 G HN 0.333 nan 8.290 nan 0.000 0.565 149 A N -0.312 122.497 122.820 -0.018 0.000 2.415 149 A HA 0.541 4.861 4.320 0.001 0.000 0.248 149 A C 1.354 178.945 177.584 0.012 0.000 1.299 149 A CA 0.903 52.933 52.037 -0.013 0.000 0.899 149 A CB -0.129 18.855 19.000 -0.028 0.000 0.997 149 A HN 0.714 nan 8.150 nan 0.000 0.506 150 S N -1.281 114.433 115.700 0.023 0.000 3.682 150 S HA -0.151 4.319 4.470 0.001 0.000 0.354 150 S C -0.169 174.482 174.600 0.085 0.000 1.034 150 S CA 0.903 59.127 58.200 0.040 0.000 1.084 150 S CB -2.037 61.175 63.200 0.020 0.000 0.903 150 S HN 0.563 nan 8.310 nan 0.000 0.470 151 L N 0.900 122.194 121.223 0.118 0.000 2.333 151 L HA 0.489 4.829 4.340 0.001 0.000 0.280 151 L C -2.259 174.700 176.870 0.149 0.000 1.004 151 L CA -2.454 52.501 54.840 0.192 0.000 0.820 151 L CB 1.572 43.786 42.059 0.259 0.000 1.247 151 L HN -0.104 nan 8.230 nan 0.000 0.416 152 P HA 0.049 nan 4.420 nan 0.000 0.266 152 P C -1.250 175.834 177.300 -0.361 0.000 1.195 152 P CA 0.196 63.189 63.100 -0.178 0.000 0.768 152 P CB 0.341 31.930 31.700 -0.185 0.000 0.838 153 F N 3.629 123.150 119.950 -0.716 0.000 2.562 153 F HA 0.529 5.056 4.527 0.001 0.000 0.319 153 F C -1.500 173.918 175.800 -0.636 0.000 1.154 153 F CA -0.821 56.802 58.000 -0.628 0.000 0.931 153 F CB 0.924 39.686 39.000 -0.396 0.000 1.198 153 F HN 0.116 nan 8.300 nan 0.000 0.444 154 F N 4.764 124.516 119.950 -0.331 0.000 2.382 154 F HA 0.288 4.816 4.527 0.001 0.000 0.361 154 F C 0.092 175.726 175.800 -0.277 0.000 1.109 154 F CA -0.784 57.111 58.000 -0.174 0.000 1.031 154 F CB 1.316 40.257 39.000 -0.098 0.000 1.234 154 F HN 0.441 nan 8.300 nan 0.000 0.445 155 E N 3.499 123.717 120.200 0.029 0.000 2.166 155 E HA 0.335 4.686 4.350 0.001 0.000 0.279 155 E C -1.160 175.550 176.600 0.184 0.000 1.095 155 E CA -0.290 56.181 56.400 0.117 0.000 0.888 155 E CB 0.884 30.713 29.700 0.215 0.000 1.041 155 E HN 0.397 nan 8.360 nan 0.000 0.414 156 V N 6.650 126.685 119.914 0.201 0.000 2.350 156 V HA 0.188 4.308 4.120 0.001 0.000 0.285 156 V C -0.492 175.764 176.094 0.269 0.000 1.014 156 V CA -0.798 61.612 62.300 0.182 0.000 0.831 156 V CB 0.708 32.586 31.823 0.092 0.000 1.000 156 V HN 0.564 nan 8.190 nan 0.000 0.433 157 F N 6.512 126.519 119.950 0.095 0.000 2.375 157 F HA 0.500 5.028 4.527 0.001 0.000 0.362 157 F C 0.048 175.871 175.800 0.039 0.000 1.129 157 F CA -1.090 56.972 58.000 0.104 0.000 1.154 157 F CB 1.098 40.171 39.000 0.122 0.000 1.205 157 F HN 0.252 nan 8.300 nan 0.000 0.513 158 V N 6.432 126.363 119.914 0.030 0.000 2.372 158 V HA 0.097 4.218 4.120 0.001 0.000 0.261 158 V C -0.331 175.475 176.094 -0.480 0.000 1.055 158 V CA -0.294 61.885 62.300 -0.201 0.000 0.930 158 V CB 0.644 32.413 31.823 -0.089 0.000 1.031 158 V HN 0.579 nan 8.190 nan 0.000 0.479 159 D N 4.765 124.724 120.400 -0.736 0.000 2.472 159 D HA 0.673 5.314 4.640 0.001 0.000 0.234 159 D C -0.105 175.958 176.300 -0.396 0.000 1.088 159 D CA 0.102 53.564 54.000 -0.897 0.000 0.882 159 D CB 1.329 41.419 40.800 -1.183 0.000 1.037 159 D HN 0.643 nan 8.370 nan 0.000 0.520 192 Y N 2.673 122.991 120.300 0.030 0.000 2.810 192 Y HA -0.022 4.529 4.550 0.001 0.000 0.332 192 Y C 0.057 175.969 175.900 0.020 0.000 1.243 192 Y CA 1.027 59.121 58.100 -0.009 0.000 1.537 192 Y CB 0.618 39.084 38.460 0.010 0.000 1.265 192 Y HN 0.114 nan 8.280 nan 0.000 0.572 193 E N 6.539 126.355 120.200 -0.640 0.000 2.092 193 E HA 0.193 4.544 4.350 0.001 0.000 0.271 193 E C -0.809 175.426 176.600 -0.608 0.000 0.919 193 E CA -0.843 55.319 56.400 -0.398 0.000 0.760 193 E CB 0.933 30.515 29.700 -0.197 0.000 1.106 193 E HN 0.503 nan 8.360 nan 0.000 0.408 194 K N 3.819 124.051 120.400 -0.279 0.000 2.448 194 K HA 0.112 4.433 4.320 0.001 0.000 0.278 194 K C -2.162 174.237 176.600 -0.335 0.000 1.009 194 K CA -1.466 54.627 56.287 -0.324 0.000 0.995 194 K CB -0.069 32.343 32.500 -0.147 0.000 0.917 194 K HN 0.240 nan 8.250 nan 0.000 0.481 195 P HA -0.046 nan 4.420 nan 0.000 0.266 195 P C 0.102 177.337 177.300 -0.108 0.000 1.195 195 P CA 0.157 63.136 63.100 -0.201 0.000 0.768 195 P CB 0.629 32.250 31.700 -0.132 0.000 0.838 196 E N 1.363 121.531 120.200 -0.054 0.000 2.190 196 E HA 0.076 4.427 4.350 0.001 0.000 0.191 196 E C 0.441 177.050 176.600 0.015 0.000 0.978 196 E CA 0.683 57.074 56.400 -0.016 0.000 0.839 196 E CB 0.313 30.001 29.700 -0.019 0.000 0.787 196 E HN 0.499 nan 8.360 nan 0.000 0.473 197 A N 2.571 125.405 122.820 0.024 0.000 3.370 197 A HA 0.306 4.626 4.320 0.001 0.000 0.295 197 A C -2.536 175.094 177.584 0.077 0.000 1.030 197 A CA -1.024 51.043 52.037 0.050 0.000 0.883 197 A CB 0.210 19.233 19.000 0.039 0.000 1.191 197 A HN -0.083 nan 8.150 nan 0.000 0.507 198 P HA 0.305 nan 4.420 nan 0.000 0.274 198 P C 0.243 177.626 177.300 0.138 0.000 1.237 198 P CA 0.033 63.217 63.100 0.140 0.000 0.793 198 P CB 1.174 32.989 31.700 0.193 0.000 0.977 199 E N -0.277 120.017 120.200 0.156 0.000 2.208 199 E HA 0.061 4.412 4.350 0.001 0.000 0.193 199 E C 0.134 176.794 176.600 0.100 0.000 0.988 199 E CA 0.977 57.465 56.400 0.145 0.000 0.828 199 E CB -0.134 29.698 29.700 0.220 0.000 0.763 199 E HN 0.190 nan 8.360 nan 0.000 0.478 200 L N -0.937 120.352 121.223 0.110 0.000 2.505 200 L HA 0.378 4.718 4.340 0.001 0.000 0.259 200 L C -1.663 175.274 176.870 0.111 0.000 0.952 200 L CA -0.844 54.040 54.840 0.073 0.000 0.840 200 L CB 2.391 44.467 42.059 0.027 0.000 1.358 200 L HN -0.333 nan 8.230 nan 0.000 0.409 201 V N 4.803 124.758 119.914 0.069 0.000 2.444 201 V HA 0.518 4.639 4.120 0.001 0.000 0.294 201 V C -0.470 175.587 176.094 -0.061 0.000 1.022 201 V CA -0.537 61.785 62.300 0.036 0.000 0.850 201 V CB 1.689 33.546 31.823 0.058 0.000 0.992 201 V HN 0.512 nan 8.190 nan 0.000 0.426 202 L N 5.672 126.822 121.223 -0.123 0.000 2.287 202 L HA 0.556 4.897 4.340 0.001 0.000 0.287 202 L C 0.263 177.016 176.870 -0.195 0.000 1.022 202 L CA -0.678 54.081 54.840 -0.133 0.000 0.814 202 L CB 1.373 43.367 42.059 -0.109 0.000 1.217 202 L HN 0.433 nan 8.230 nan 0.000 0.420 203 K N 2.561 122.869 120.400 -0.153 0.000 2.222 203 K HA 0.136 4.457 4.320 0.001 0.000 0.243 203 K C 1.173 177.697 176.600 -0.127 0.000 1.160 203 K CA -0.114 56.079 56.287 -0.156 0.000 1.090 203 K CB 0.575 33.007 32.500 -0.114 0.000 1.694 203 K HN 0.662 nan 8.250 nan 0.000 0.361 204 T N -2.538 111.932 114.554 -0.140 0.000 3.072 204 T HA -0.070 4.281 4.350 0.001 0.000 0.266 204 T C 1.010 175.655 174.700 -0.092 0.000 1.127 204 T CA 0.789 62.822 62.100 -0.111 0.000 1.107 204 T CB 0.129 68.928 68.868 -0.115 0.000 0.910 204 T HN 0.131 nan 8.240 nan 0.000 0.513 205 D N 1.693 122.037 120.400 -0.093 0.000 2.194 205 D HA 0.001 4.642 4.640 0.001 0.000 0.204 205 D C 2.370 178.633 176.300 -0.061 0.000 0.964 205 D CA 1.366 55.322 54.000 -0.073 0.000 0.846 205 D CB -0.089 40.669 40.800 -0.071 0.000 0.962 205 D HN 0.634 nan 8.370 nan 0.000 0.490 206 S N -1.308 114.354 115.700 -0.064 0.000 2.503 206 S HA 0.075 4.546 4.470 0.001 0.000 0.215 206 S C 0.754 175.324 174.600 -0.049 0.000 1.003 206 S CA -0.396 57.772 58.200 -0.052 0.000 0.910 206 S CB 0.096 63.266 63.200 -0.050 0.000 0.790 206 S HN 0.073 nan 8.310 nan 0.000 0.514 207 C N 3.832 123.097 119.300 -0.057 0.000 2.408 207 C HA 0.646 5.106 4.460 0.001 0.000 0.321 207 C C -0.168 174.790 174.990 -0.054 0.000 1.245 207 C CA -1.468 57.518 59.018 -0.053 0.000 1.523 207 C CB 0.903 28.608 27.740 -0.059 0.000 2.178 207 C HN 0.689 nan 8.230 nan 0.000 0.488 208 D N 1.727 122.100 120.400 -0.045 0.000 2.362 208 D HA 0.076 4.716 4.640 0.001 0.000 0.238 208 D C 1.062 177.331 176.300 -0.050 0.000 1.212 208 D CA -0.443 53.531 54.000 -0.043 0.000 0.902 208 D CB 0.586 41.367 40.800 -0.033 0.000 1.180 208 D HN 0.210 nan 8.370 nan 0.000 0.445 209 V N 1.011 120.895 119.914 -0.050 0.000 2.332 209 V HA -0.285 3.835 4.120 0.001 0.000 0.248 209 V C 1.993 178.053 176.094 -0.057 0.000 1.055 209 V CA 2.059 64.325 62.300 -0.056 0.000 1.038 209 V CB -0.783 31.009 31.823 -0.052 0.000 0.651 209 V HN 0.527 nan 8.190 nan 0.000 0.450 210 N N 0.085 118.759 118.700 -0.044 0.000 2.188 210 N HA -0.138 4.603 4.740 0.001 0.000 0.184 210 N C 1.546 177.022 175.510 -0.057 0.000 1.018 210 N CA 1.443 54.469 53.050 -0.040 0.000 0.858 210 N CB -0.410 38.067 38.487 -0.017 0.000 0.989 210 N HN 0.493 nan 8.380 nan 0.000 0.426 211 D N 0.499 120.867 120.400 -0.053 0.000 2.097 211 D HA -0.059 4.582 4.640 0.001 0.000 0.197 211 D C 2.062 178.315 176.300 -0.079 0.000 0.984 211 D CA 0.589 54.553 54.000 -0.060 0.000 0.826 211 D CB -0.504 40.266 40.800 -0.049 0.000 0.973 211 D HN 0.184 nan 8.370 nan 0.000 0.460 212 C N 0.517 119.769 119.300 -0.080 0.000 2.393 212 C HA -0.120 4.341 4.460 0.001 0.000 0.276 212 C C 2.981 177.903 174.990 -0.112 0.000 1.215 212 C CA 0.396 59.359 59.018 -0.091 0.000 1.743 212 C CB -0.902 26.785 27.740 -0.088 0.000 2.044 212 C HN 0.173 nan 8.230 nan 0.000 0.464 213 V N 0.232 120.073 119.914 -0.121 0.000 2.407 213 V HA -0.242 3.879 4.120 0.001 0.000 0.248 213 V C 2.658 178.610 176.094 -0.236 0.000 1.055 213 V CA 1.783 63.983 62.300 -0.166 0.000 1.049 213 V CB -0.740 30.993 31.823 -0.150 0.000 0.662 213 V HN 0.536 nan 8.190 nan 0.000 0.455 214 Q N -0.222 119.459 119.800 -0.199 0.000 2.124 214 Q HA -0.221 4.120 4.340 0.001 0.000 0.202 214 Q C 2.340 178.231 176.000 -0.181 0.000 0.977 214 Q CA 1.687 57.364 55.803 -0.209 0.000 0.850 214 Q CB -0.285 28.374 28.738 -0.131 0.000 0.901 214 Q HN 0.719 nan 8.270 nan 0.000 0.429 215 Q N -0.627 119.088 119.800 -0.141 0.000 2.084 215 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 215 Q C 2.170 178.082 176.000 -0.147 0.000 0.978 215 Q CA 1.558 57.289 55.803 -0.120 0.000 0.844 215 Q CB 0.049 28.732 28.738 -0.092 0.000 0.898 215 Q HN 0.198 nan 8.270 nan 0.000 0.426 216 V N 0.024 119.836 119.914 -0.170 0.000 2.307 216 V HA -0.205 3.916 4.120 0.001 0.000 0.245 216 V C 2.239 178.185 176.094 -0.246 0.000 1.045 216 V CA 1.299 63.483 62.300 -0.194 0.000 1.024 216 V CB -0.497 31.221 31.823 -0.174 0.000 0.651 216 V HN 0.167 nan 8.190 nan 0.000 0.449 217 V N 0.005 119.738 119.914 -0.301 0.000 2.332 217 V HA -0.290 3.831 4.120 0.001 0.000 0.248 217 V C 2.465 178.420 176.094 -0.232 0.000 1.055 217 V CA 2.152 64.246 62.300 -0.342 0.000 1.038 217 V CB -0.649 30.821 31.823 -0.589 0.000 0.651 217 V HN 0.611 nan 8.190 nan 0.000 0.450 218 E N -0.331 119.751 120.200 -0.196 0.000 2.051 218 E HA -0.263 4.088 4.350 0.001 0.000 0.192 218 E C 2.151 178.665 176.600 -0.143 0.000 0.991 218 E CA 1.504 57.822 56.400 -0.137 0.000 0.799 218 E CB -0.268 29.367 29.700 -0.108 0.000 0.748 218 E HN 0.438 nan 8.360 nan 0.000 0.449 219 L N 1.109 122.224 121.223 -0.179 0.000 2.012 219 L HA -0.212 4.129 4.340 0.001 0.000 0.210 219 L C 2.088 178.774 176.870 -0.307 0.000 1.073 219 L CA 1.654 56.358 54.840 -0.227 0.000 0.748 219 L CB -0.352 41.543 42.059 -0.274 0.000 0.891 219 L HN 0.127 nan 8.230 nan 0.000 0.431 220 L N -1.137 119.880 121.223 -0.342 0.000 2.131 220 L HA -0.232 4.109 4.340 0.001 0.000 0.210 220 L C 2.639 179.421 176.870 -0.147 0.000 1.092 220 L CA 1.314 55.963 54.840 -0.318 0.000 0.759 220 L CB -0.591 41.328 42.059 -0.234 0.000 0.903 220 L HN 0.432 nan 8.230 nan 0.000 0.435 221 Q N -0.078 119.655 119.800 -0.111 0.000 2.046 221 Q HA -0.246 4.094 4.340 0.001 0.000 0.200 221 Q C 2.129 178.108 176.000 -0.035 0.000 0.975 221 Q CA 1.545 57.318 55.803 -0.050 0.000 0.836 221 Q CB -0.069 28.643 28.738 -0.044 0.000 0.896 221 Q HN 0.434 nan 8.270 nan 0.000 0.428 222 E N 0.099 120.267 120.200 -0.053 0.000 2.097 222 E HA -0.173 4.177 4.350 0.001 0.000 0.196 222 E C 1.225 177.827 176.600 0.003 0.000 1.000 222 E CA 0.951 57.335 56.400 -0.026 0.000 0.804 222 E CB 0.237 29.914 29.700 -0.039 0.000 0.740 222 E HN 0.059 nan 8.360 nan 0.000 0.454 223 R N 0.682 121.177 120.500 -0.009 0.000 2.426 223 R HA 0.048 4.388 4.340 0.001 0.000 0.263 223 R C -0.480 175.880 176.300 0.101 0.000 0.961 223 R CA 0.130 56.276 56.100 0.076 0.000 1.086 223 R CB -0.088 30.291 30.300 0.133 0.000 1.186 223 R HN 0.161 nan 8.270 nan 0.000 0.537 224 D N 0.411 120.846 120.400 0.059 0.000 2.870 224 D HA -0.193 4.448 4.640 0.001 0.000 0.228 224 D C 0.807 177.155 176.300 0.081 0.000 1.147 224 D CA 0.629 54.671 54.000 0.069 0.000 0.757 224 D CB -0.507 40.343 40.800 0.083 0.000 1.091 224 D HN 0.220 nan 8.370 nan 0.000 0.429 225 I N -0.580 120.029 120.570 0.065 0.000 2.729 225 I HA 0.006 4.176 4.170 0.001 0.000 0.256 225 I C 1.314 177.456 176.117 0.043 0.000 1.115 225 I CA 0.816 62.156 61.300 0.067 0.000 1.446 225 I CB -0.001 38.049 38.000 0.082 0.000 1.176 225 I HN -0.159 nan 8.210 nan 0.000 0.446 226 V N 3.426 123.355 119.914 0.026 0.000 2.398 226 V HA 0.309 4.430 4.120 0.001 0.000 0.286 226 V C -2.263 173.857 176.094 0.044 0.000 1.026 226 V CA -1.589 60.739 62.300 0.046 0.000 0.868 226 V CB 1.430 33.285 31.823 0.053 0.000 0.982 226 V HN 0.055 nan 8.190 nan 0.000 0.443 227 P HA 0.083 nan 4.420 nan 0.000 0.268 227 P C 0.889 178.219 177.300 0.050 0.000 1.204 227 P CA 0.068 63.200 63.100 0.053 0.000 0.768 227 P CB 0.783 32.519 31.700 0.059 0.000 0.842 228 V N 1.493 121.431 119.914 0.039 0.000 2.358 228 V HA -0.083 4.038 4.120 0.001 0.000 0.246 228 V C 0.768 176.891 176.094 0.048 0.000 1.047 228 V CA 1.832 64.152 62.300 0.034 0.000 1.035 228 V CB -0.496 31.342 31.823 0.025 0.000 0.658 228 V HN 0.580 nan 8.190 nan 0.000 0.452 229 D N -1.057 119.373 120.400 0.051 0.000 2.736 229 D HA 0.537 5.178 4.640 0.001 0.000 0.243 229 D C -0.336 176.001 176.300 0.061 0.000 1.304 229 D CA 0.115 54.151 54.000 0.061 0.000 0.934 229 D CB 2.099 42.929 40.800 0.050 0.000 1.382 229 D HN 0.160 nan 8.370 nan 0.000 0.571 230 A N 2.124 124.986 122.820 0.071 0.000 2.708 230 A HA 0.287 4.608 4.320 0.001 0.000 0.293 230 A C 0.548 178.172 177.584 0.066 0.000 1.303 230 A CA -0.318 51.758 52.037 0.067 0.000 0.949 230 A CB -0.101 18.940 19.000 0.068 0.000 1.121 230 A HN 0.358 nan 8.150 nan 0.000 0.542 231 S N -1.150 114.595 115.700 0.074 0.000 2.646 231 S HA 0.498 4.969 4.470 0.001 0.000 0.276 231 S C -0.122 174.560 174.600 0.137 0.000 1.222 231 S CA -0.622 57.635 58.200 0.095 0.000 1.014 231 S CB 0.430 63.686 63.200 0.092 0.000 0.991 231 S HN 0.341 nan 8.310 nan 0.000 0.533 232 Y N 1.981 122.283 120.300 0.003 0.000 2.954 232 Y HA -0.109 4.442 4.550 0.001 0.000 0.351 232 Y C 1.010 176.910 175.900 0.000 0.000 1.282 232 Y CA 0.188 58.290 58.100 0.003 0.000 1.614 232 Y CB -0.199 38.263 38.460 0.004 0.000 1.183 232 Y HN 0.824 nan 8.280 nan 0.000 0.566 233 E N 4.250 124.301 120.200 -0.249 0.000 2.465 233 E HA 0.116 4.467 4.350 0.001 0.000 0.260 233 E C -0.833 175.589 176.600 -0.296 0.000 0.980 233 E CA -0.316 55.949 56.400 -0.225 0.000 0.927 233 E CB 0.510 30.091 29.700 -0.198 0.000 0.934 233 E HN 0.449 nan 8.360 nan 0.000 0.459 234 V N 5.693 125.507 119.914 -0.167 0.000 2.555 234 V HA 0.054 4.175 4.120 0.001 0.000 0.286 234 V C 0.544 176.556 176.094 -0.137 0.000 1.044 234 V CA 0.106 62.318 62.300 -0.148 0.000 1.026 234 V CB 1.094 32.839 31.823 -0.130 0.000 0.981 234 V HN 0.569 nan 8.190 nan 0.000 0.480 235 K N 5.221 125.549 120.400 -0.120 0.000 2.296 235 K HA 0.296 4.616 4.320 0.001 0.000 0.257 235 K C 0.076 176.637 176.600 -0.065 0.000 1.088 235 K CA -0.331 55.905 56.287 -0.085 0.000 0.980 235 K CB 0.419 32.874 32.500 -0.076 0.000 1.430 235 K HN 0.761 nan 8.250 nan 0.000 0.441 236 E N 3.189 123.355 120.200 -0.057 0.000 2.404 236 E HA 0.013 4.363 4.350 0.001 0.000 0.261 236 E C 0.451 177.018 176.600 -0.055 0.000 1.074 236 E CA -0.015 56.356 56.400 -0.047 0.000 0.917 236 E CB 0.951 30.667 29.700 0.027 0.000 0.965 236 E HN 0.565 nan 8.360 nan 0.000 0.433 237 L N 1.856 123.007 121.223 -0.121 0.000 2.808 237 L HA 0.196 4.537 4.340 0.001 0.000 0.246 237 L C -0.048 176.758 176.870 -0.106 0.000 1.153 237 L CA -0.290 54.479 54.840 -0.119 0.000 0.956 237 L CB 0.079 42.045 42.059 -0.155 0.000 1.270 237 L HN 0.515 nan 8.230 nan 0.000 0.528 238 Y N 0.547 120.830 120.300 -0.028 0.000 2.610 238 Y HA 0.013 4.563 4.550 0.001 0.000 0.332 238 Y C 0.768 176.655 175.900 -0.021 0.000 1.201 238 Y CA -0.234 57.851 58.100 -0.026 0.000 1.465 238 Y CB 0.977 39.417 38.460 -0.033 0.000 1.283 238 Y HN -0.199 nan 8.280 nan 0.000 0.563 239 V N 6.909 126.928 119.914 0.174 0.000 2.740 239 V HA 0.097 4.217 4.120 0.001 0.000 0.303 239 V C -2.069 174.067 176.094 0.070 0.000 1.054 239 V CA -1.802 60.552 62.300 0.090 0.000 1.106 239 V CB 0.566 32.430 31.823 0.068 0.000 0.957 239 V HN 0.586 nan 8.190 nan 0.000 0.486 240 P HA 0.069 nan 4.420 nan 0.000 0.266 240 P C 0.556 177.862 177.300 0.010 0.000 1.195 240 P CA 0.045 63.157 63.100 0.020 0.000 0.768 240 P CB 0.419 32.128 31.700 0.016 0.000 0.838 241 E N 3.455 123.649 120.200 -0.010 0.000 2.160 241 E HA -0.269 4.081 4.350 0.001 0.000 0.195 241 E C 0.806 177.410 176.600 0.007 0.000 0.991 241 E CA 1.904 58.295 56.400 -0.015 0.000 0.810 241 E CB -1.204 28.476 29.700 -0.034 0.000 0.742 241 E HN 0.532 nan 8.360 nan 0.000 0.466 242 N N 1.063 119.769 118.700 0.011 0.000 2.515 242 N HA -0.087 4.654 4.740 0.001 0.000 0.185 242 N C 1.104 176.632 175.510 0.030 0.000 1.109 242 N CA 0.707 53.769 53.050 0.020 0.000 0.903 242 N CB -0.077 38.418 38.487 0.013 0.000 0.969 242 N HN 0.206 nan 8.380 nan 0.000 0.450 243 K N -0.590 119.827 120.400 0.030 0.000 2.358 243 K HA 0.191 4.512 4.320 0.001 0.000 0.200 243 K C 1.018 177.649 176.600 0.051 0.000 1.030 243 K CA -0.232 56.076 56.287 0.035 0.000 1.097 243 K CB 0.268 32.784 32.500 0.026 0.000 0.862 243 K HN 0.034 nan 8.250 nan 0.000 0.534 244 L N 0.785 122.043 121.223 0.058 0.000 2.056 244 L HA -0.143 4.198 4.340 0.001 0.000 0.207 244 L C 2.136 179.079 176.870 0.123 0.000 1.078 244 L CA 1.957 56.838 54.840 0.068 0.000 0.749 244 L CB -0.439 41.643 42.059 0.037 0.000 0.901 244 L HN 0.294 nan 8.230 nan 0.000 0.433 245 H N -1.355 117.719 119.070 0.008 0.000 2.389 245 H HA -0.118 4.439 4.556 0.001 0.000 0.299 245 H C 2.188 177.523 175.328 0.011 0.000 1.081 245 H CA 1.435 57.489 56.048 0.009 0.000 1.345 245 H CB 0.209 29.974 29.762 0.006 0.000 1.393 245 H HN 0.364 nan 8.280 nan 0.000 0.520 246 L N 0.140 121.404 121.223 0.069 0.000 2.093 246 L HA -0.120 4.220 4.340 0.001 0.000 0.208 246 L C 2.907 179.792 176.870 0.024 0.000 1.085 246 L CA 0.986 55.821 54.840 -0.009 0.000 0.755 246 L CB -0.285 41.770 42.059 -0.006 0.000 0.904 246 L HN 0.336 nan 8.230 nan 0.000 0.435 247 A N -0.031 122.820 122.820 0.051 0.000 1.929 247 A HA -0.169 4.152 4.320 0.001 0.000 0.216 247 A C 2.297 179.917 177.584 0.060 0.000 1.176 247 A CA 1.366 53.432 52.037 0.048 0.000 0.628 247 A CB -0.253 18.777 19.000 0.049 0.000 0.816 247 A HN 0.327 nan 8.150 nan 0.000 0.444 248 K N -0.714 119.739 120.400 0.089 0.000 2.057 248 K HA -0.074 4.247 4.320 0.001 0.000 0.206 248 K C 2.013 178.665 176.600 0.087 0.000 1.050 248 K CA 1.676 58.022 56.287 0.097 0.000 0.935 248 K CB -0.442 32.133 32.500 0.126 0.000 0.715 248 K HN 0.397 nan 8.250 nan 0.000 0.439 249 T N 1.328 115.929 114.554 0.078 0.000 2.746 249 T HA -0.182 4.168 4.350 0.001 0.000 0.267 249 T C 1.534 176.250 174.700 0.027 0.000 1.039 249 T CA 1.814 63.935 62.100 0.034 0.000 1.142 249 T CB -0.356 68.495 68.868 -0.029 0.000 0.866 249 T HN 0.283 nan 8.240 nan 0.000 0.444 250 D N 1.372 121.787 120.400 0.024 0.000 2.104 250 D HA -0.065 4.576 4.640 0.001 0.000 0.194 250 D C 2.244 178.565 176.300 0.035 0.000 0.994 250 D CA 1.389 55.404 54.000 0.025 0.000 0.830 250 D CB -0.432 40.381 40.800 0.021 0.000 0.959 250 D HN 0.347 nan 8.370 nan 0.000 0.452 251 A N 0.041 122.887 122.820 0.044 0.000 2.019 251 A HA -0.170 4.151 4.320 0.001 0.000 0.219 251 A C 2.129 179.748 177.584 0.057 0.000 1.164 251 A CA 1.855 53.924 52.037 0.052 0.000 0.644 251 A CB -0.693 18.341 19.000 0.057 0.000 0.805 251 A HN 0.272 nan 8.150 nan 0.000 0.449 252 E N -0.040 120.192 120.200 0.052 0.000 2.204 252 E HA -0.125 4.226 4.350 0.001 0.000 0.194 252 E C 1.984 178.610 176.600 0.045 0.000 0.989 252 E CA 1.679 58.108 56.400 0.050 0.000 0.824 252 E CB -0.384 29.343 29.700 0.045 0.000 0.756 252 E HN 0.699 nan 8.360 nan 0.000 0.477 253 T N -2.040 112.538 114.554 0.041 0.000 3.113 253 T HA 0.103 4.454 4.350 0.001 0.000 0.256 253 T C 0.770 175.498 174.700 0.046 0.000 1.131 253 T CA -0.041 62.081 62.100 0.037 0.000 1.074 253 T CB -0.183 68.702 68.868 0.030 0.000 0.944 253 T HN -0.029 nan 8.240 nan 0.000 0.516 254 L N 1.205 122.465 121.223 0.062 0.000 2.387 254 L HA 0.530 4.871 4.340 0.001 0.000 0.266 254 L C -2.159 174.767 176.870 0.093 0.000 1.059 254 L CA -2.864 52.027 54.840 0.084 0.000 0.801 254 L CB 0.479 42.601 42.059 0.105 0.000 1.223 254 L HN -0.063 nan 8.230 nan 0.000 0.456 255 P HA 0.229 nan 4.420 nan 0.000 0.270 255 P C -1.227 176.160 177.300 0.145 0.000 1.223 255 P CA -0.281 62.872 63.100 0.089 0.000 0.785 255 P CB 0.715 32.448 31.700 0.055 0.000 0.923 256 A N 1.614 124.492 122.820 0.097 0.000 2.380 256 A HA 0.730 5.051 4.320 0.001 0.000 0.315 256 A C -1.547 176.087 177.584 0.083 0.000 1.101 256 A CA -0.568 51.549 52.037 0.133 0.000 0.771 256 A CB 0.962 20.019 19.000 0.096 0.000 1.287 256 A HN 0.514 nan 8.150 nan 0.000 0.436 257 L N 1.116 122.427 121.223 0.146 0.000 2.404 257 L HA 0.499 4.840 4.340 0.001 0.000 0.272 257 L C -0.508 176.433 176.870 0.117 0.000 0.980 257 L CA -0.229 54.656 54.840 0.075 0.000 0.836 257 L CB 1.476 43.564 42.059 0.048 0.000 1.238 257 L HN 0.686 nan 8.230 nan 0.000 0.408 258 K N 6.145 126.594 120.400 0.082 0.000 2.298 258 K HA 0.512 4.833 4.320 0.001 0.000 0.280 258 K C -0.361 176.310 176.600 0.118 0.000 1.032 258 K CA -0.089 56.261 56.287 0.105 0.000 0.958 258 K CB 0.879 33.425 32.500 0.077 0.000 0.978 258 K HN 0.713 nan 8.250 nan 0.000 0.472 259 I N -0.740 119.934 120.570 0.174 0.000 2.957 259 I HA 0.443 4.614 4.170 0.001 0.000 0.310 259 I C -0.415 175.860 176.117 0.262 0.000 1.063 259 I CA -1.221 60.182 61.300 0.171 0.000 1.033 259 I CB 1.976 40.067 38.000 0.152 0.000 1.230 259 I HN 0.550 nan 8.210 nan 0.000 0.447 260 N N 2.160 120.981 118.700 0.202 0.000 2.538 260 N HA 0.281 5.022 4.740 0.001 0.000 0.292 260 N C 0.385 176.020 175.510 0.207 0.000 1.262 260 N CA -0.719 52.484 53.050 0.255 0.000 0.976 260 N CB 0.697 39.274 38.487 0.149 0.000 1.161 260 N HN 0.786 nan 8.380 nan 0.000 0.598 261 K N -0.781 119.775 120.400 0.260 0.000 2.057 261 K HA -0.051 4.269 4.320 0.001 0.000 0.206 261 K C 1.377 178.005 176.600 0.047 0.000 1.050 261 K CA 1.088 57.457 56.287 0.136 0.000 0.935 261 K CB -0.278 32.390 32.500 0.280 0.000 0.715 261 K HN 0.381 nan 8.250 nan 0.000 0.439 262 V N 2.151 122.104 119.914 0.064 0.000 2.295 262 V HA -0.263 3.858 4.120 0.001 0.000 0.246 262 V C 1.734 177.906 176.094 0.130 0.000 1.049 262 V CA 2.073 64.396 62.300 0.039 0.000 1.024 262 V CB -0.537 31.262 31.823 -0.040 0.000 0.648 262 V HN 0.388 nan 8.190 nan 0.000 0.447 263 D N -0.310 120.196 120.400 0.177 0.000 2.133 263 D HA -0.248 4.393 4.640 0.001 0.000 0.195 263 D C 2.019 178.460 176.300 0.236 0.000 0.997 263 D CA 1.779 55.933 54.000 0.258 0.000 0.840 263 D CB -0.248 40.634 40.800 0.136 0.000 0.947 263 D HN 0.423 nan 8.370 nan 0.000 0.452 264 M N 0.709 120.331 119.600 0.037 0.000 2.229 264 M HA -0.125 4.355 4.480 0.001 0.000 0.264 264 M C 1.918 178.297 176.300 0.130 0.000 1.063 264 M CA 1.386 56.659 55.300 -0.046 0.000 1.114 264 M CB -0.085 32.178 32.600 -0.561 0.000 1.387 264 M HN -0.106 nan 8.290 nan 0.000 0.420 265 Q N -1.467 118.414 119.800 0.136 0.000 2.124 265 Q HA -0.191 4.150 4.340 0.001 0.000 0.202 265 Q C 1.840 177.841 176.000 0.001 0.000 0.977 265 Q CA 2.211 58.048 55.803 0.056 0.000 0.850 265 Q CB -0.400 28.233 28.738 -0.175 0.000 0.901 265 Q HN 0.693 nan 8.270 nan 0.000 0.429 266 W N -0.282 121.097 121.300 0.132 0.000 2.436 266 W HA -0.123 4.538 4.660 0.001 0.000 0.284 266 W C 2.073 178.637 176.519 0.076 0.000 1.225 266 W CA 0.186 57.610 57.345 0.132 0.000 1.271 266 W CB -0.024 29.574 29.460 0.231 0.000 1.114 266 W HN -0.070 nan 8.180 nan 0.000 0.559 267 V N 0.377 120.489 119.914 0.329 0.000 2.287 267 V HA -0.392 3.729 4.120 0.001 0.000 0.248 267 V C 2.262 178.386 176.094 0.050 0.000 1.053 267 V CA 2.349 64.731 62.300 0.137 0.000 1.027 267 V CB -1.060 30.856 31.823 0.154 0.000 0.646 267 V HN 0.283 nan 8.190 nan 0.000 0.447 268 Q N -0.269 119.596 119.800 0.108 0.000 2.061 268 Q HA -0.202 4.139 4.340 0.001 0.000 0.204 268 Q C 2.270 178.382 176.000 0.187 0.000 0.984 268 Q CA 2.406 58.282 55.803 0.122 0.000 0.846 268 Q CB -0.175 28.691 28.738 0.213 0.000 0.902 268 Q HN 0.494 nan 8.270 nan 0.000 0.421 269 V N 1.136 121.176 119.914 0.209 0.000 2.282 269 V HA -0.319 3.801 4.120 0.001 0.000 0.249 269 V C 2.376 178.710 176.094 0.401 0.000 1.057 269 V CA 1.868 64.391 62.300 0.371 0.000 1.032 269 V CB -0.541 31.504 31.823 0.370 0.000 0.645 269 V HN 0.412 nan 8.190 nan 0.000 0.447 270 L N -0.430 120.896 121.223 0.173 0.000 2.027 270 L HA -0.114 4.227 4.340 0.001 0.000 0.206 270 L C 2.726 179.551 176.870 -0.076 0.000 1.074 270 L CA 1.460 56.310 54.840 0.017 0.000 0.745 270 L CB -0.761 41.168 42.059 -0.218 0.000 0.898 270 L HN 0.356 nan 8.230 nan 0.000 0.433 271 A N -0.031 122.672 122.820 -0.195 0.000 1.883 271 A HA -0.245 4.076 4.320 0.001 0.000 0.217 271 A C 2.081 179.416 177.584 -0.414 0.000 1.186 271 A CA 1.866 53.580 52.037 -0.539 0.000 0.624 271 A CB -0.481 17.942 19.000 -0.962 0.000 0.822 271 A HN 0.487 nan 8.150 nan 0.000 0.444 272 E N -1.971 118.155 120.200 -0.124 0.000 2.427 272 E HA 0.222 4.573 4.350 0.001 0.000 0.196 272 E C 1.140 177.617 176.600 -0.205 0.000 1.028 272 E CA 0.341 56.713 56.400 -0.046 0.000 0.864 272 E CB -0.075 29.708 29.700 0.139 0.000 0.813 272 E HN 0.805 nan 8.360 nan 0.000 0.514 273 G N 0.388 109.124 108.800 -0.107 0.000 2.163 273 G HA2 -0.232 3.728 3.960 0.001 0.000 0.213 273 G HA3 -0.232 3.728 3.960 0.001 0.000 0.213 273 G C 0.409 175.305 174.900 -0.008 0.000 0.991 273 G CA 0.019 45.064 45.100 -0.092 0.000 0.653 273 G HN 0.313 nan 8.290 nan 0.000 0.518 274 W N 0.413 121.822 121.300 0.182 0.000 2.374 274 W HA 0.302 4.963 4.660 0.001 0.000 0.288 274 W C 2.358 179.064 176.519 0.313 0.000 1.218 274 W CA 1.409 58.900 57.345 0.244 0.000 1.245 274 W CB -0.005 29.654 29.460 0.333 0.000 1.126 274 W HN 0.640 nan 8.180 nan 0.000 0.545 275 A N -0.143 123.006 122.820 0.548 0.000 2.577 275 A HA 0.239 4.559 4.320 0.001 0.000 0.280 275 A C 0.490 178.246 177.584 0.286 0.000 1.331 275 A CA -0.121 52.201 52.037 0.474 0.000 0.935 275 A CB -0.866 18.377 19.000 0.406 0.000 1.082 275 A HN -0.080 nan 8.150 nan 0.000 0.525 276 T N 3.200 117.902 114.554 0.247 0.000 2.923 276 T HA 0.153 4.504 4.350 0.001 0.000 0.304 276 T C -1.664 173.232 174.700 0.328 0.000 1.044 276 T CA 0.340 62.563 62.100 0.205 0.000 1.141 276 T CB 0.591 69.544 68.868 0.141 0.000 1.023 276 T HN 0.335 nan 8.240 nan 0.000 0.533 277 P HA 0.246 nan 4.420 nan 0.000 0.262 277 P C 0.058 177.403 177.300 0.076 0.000 1.651 277 P CA -0.220 62.951 63.100 0.120 0.000 1.119 277 P CB 0.080 31.856 31.700 0.127 0.000 1.552 278 L N 0.673 121.946 121.223 0.084 0.000 2.543 278 L HA -0.001 4.339 4.340 0.001 0.000 0.285 278 L C 1.339 178.210 176.870 0.001 0.000 1.236 278 L CA 0.605 55.468 54.840 0.039 0.000 0.871 278 L CB -0.172 41.904 42.059 0.030 0.000 1.121 278 L HN 0.020 nan 8.230 nan 0.000 0.501 279 N N 0.713 119.405 118.700 -0.013 0.000 2.280 279 N HA 0.230 4.971 4.740 0.001 0.000 0.192 279 N C 0.343 175.816 175.510 -0.061 0.000 1.109 279 N CA 0.218 53.249 53.050 -0.032 0.000 0.855 279 N CB 0.730 39.206 38.487 -0.018 0.000 0.974 279 N HN 0.805 nan 8.380 nan 0.000 0.482 280 G N -0.180 108.568 108.800 -0.086 0.000 2.367 280 G HA2 0.087 4.048 3.960 0.001 0.000 0.272 280 G HA3 0.087 4.048 3.960 0.001 0.000 0.272 280 G C -1.519 173.272 174.900 -0.183 0.000 1.271 280 G CA -1.098 43.907 45.100 -0.158 0.000 0.893 280 G HN 0.000 nan 8.290 nan 0.000 0.485 281 F N 1.540 121.466 119.950 -0.040 0.000 2.563 281 F HA 0.373 4.901 4.527 0.001 0.000 0.363 281 F C 1.723 177.509 175.800 -0.023 0.000 1.123 281 F CA 0.246 58.213 58.000 -0.054 0.000 1.307 281 F CB 0.559 39.511 39.000 -0.080 0.000 1.115 281 F HN 0.156 nan 8.300 nan 0.000 0.592 282 M N 4.115 123.822 119.600 0.178 0.000 2.260 282 M HA 0.056 4.537 4.480 0.001 0.000 0.348 282 M C 0.438 176.849 176.300 0.185 0.000 1.342 282 M CA 0.757 56.142 55.300 0.142 0.000 1.040 282 M CB 0.360 33.050 32.600 0.151 0.000 1.810 282 M HN 0.580 nan 8.290 nan 0.000 0.453 283 R N 1.326 121.858 120.500 0.052 0.000 2.580 283 R HA 0.070 4.411 4.340 0.001 0.000 0.267 283 R C 1.191 177.194 176.300 -0.496 0.000 1.125 283 R CA -0.497 55.537 56.100 -0.110 0.000 1.188 283 R CB 0.444 30.694 30.300 -0.083 0.000 1.155 283 R HN 0.698 nan 8.270 nan 0.000 0.586 284 E N 1.189 120.733 120.200 -1.093 0.000 2.085 284 E HA -0.286 4.065 4.350 0.001 0.000 0.194 284 E C 1.969 178.380 176.600 -0.316 0.000 0.994 284 E CA 1.436 57.153 56.400 -1.139 0.000 0.801 284 E CB 0.131 29.314 29.700 -0.861 0.000 0.743 284 E HN 0.376 nan 8.360 nan 0.000 0.453 285 R N 0.543 120.924 120.500 -0.198 0.000 2.073 285 R HA -0.188 4.153 4.340 0.001 0.000 0.234 285 R C 2.021 178.327 176.300 0.009 0.000 1.134 285 R CA 2.031 58.099 56.100 -0.054 0.000 0.952 285 R CB -0.051 30.224 30.300 -0.041 0.000 0.850 285 R HN 0.189 nan 8.270 nan 0.000 0.433 286 E N -0.815 119.390 120.200 0.008 0.000 2.106 286 E HA -0.226 4.125 4.350 0.001 0.000 0.192 286 E C 1.708 178.371 176.600 0.106 0.000 0.984 286 E CA 1.289 57.723 56.400 0.057 0.000 0.806 286 E CB -0.245 29.486 29.700 0.051 0.000 0.750 286 E HN 0.380 nan 8.360 nan 0.000 0.458 287 Y N 1.449 121.730 120.300 -0.033 0.000 2.145 287 Y HA -0.208 4.342 4.550 0.001 0.000 0.286 287 Y C 1.846 177.747 175.900 0.002 0.000 1.145 287 Y CA 1.403 59.510 58.100 0.011 0.000 1.148 287 Y CB -0.212 38.320 38.460 0.121 0.000 0.981 287 Y HN -0.047 nan 8.280 nan 0.000 0.507 288 L N -0.208 121.053 121.223 0.064 0.000 2.046 288 L HA -0.286 4.055 4.340 0.001 0.000 0.208 288 L C 2.544 179.438 176.870 0.040 0.000 1.077 288 L CA 1.776 56.635 54.840 0.030 0.000 0.747 288 L CB -0.685 41.439 42.059 0.108 0.000 0.896 288 L HN 0.286 nan 8.230 nan 0.000 0.432 289 Q N -1.061 118.800 119.800 0.102 0.000 2.084 289 Q HA -0.265 4.076 4.340 0.001 0.000 0.202 289 Q C 2.525 178.578 176.000 0.089 0.000 0.978 289 Q CA 1.919 57.857 55.803 0.226 0.000 0.844 289 Q CB -0.444 28.419 28.738 0.208 0.000 0.898 289 Q HN 0.640 nan 8.270 nan 0.000 0.426 290 C N 0.497 119.788 119.300 -0.015 0.000 2.413 290 C HA -0.135 4.326 4.460 0.001 0.000 0.277 290 C C 2.470 177.327 174.990 -0.221 0.000 1.228 290 C CA 0.708 59.671 59.018 -0.091 0.000 1.731 290 C CB -0.993 26.692 27.740 -0.092 0.000 2.042 290 C HN 0.500 nan 8.230 nan 0.000 0.468 291 L N -0.473 120.527 121.223 -0.372 0.000 2.093 291 L HA -0.086 4.254 4.340 0.001 0.000 0.208 291 L C 2.786 179.296 176.870 -0.599 0.000 1.085 291 L CA 1.467 55.987 54.840 -0.534 0.000 0.755 291 L CB -0.725 40.891 42.059 -0.738 0.000 0.904 291 L HN 0.539 nan 8.230 nan 0.000 0.435 292 H N -1.826 116.940 119.070 -0.507 0.000 2.486 292 H HA 0.071 4.628 4.556 0.001 0.000 0.287 292 H C 1.501 176.363 175.328 -0.776 0.000 1.010 292 H CA 1.149 56.724 56.048 -0.789 0.000 1.324 292 H CB 0.401 29.398 29.762 -1.274 0.000 1.446 292 H HN 0.322 nan 8.280 nan 0.000 0.537 293 F N -0.150 119.816 119.950 0.027 0.000 2.746 293 F HA 0.153 4.681 4.527 0.001 0.000 0.313 293 F C 0.188 175.967 175.800 -0.035 0.000 1.095 293 F CA -0.322 57.677 58.000 -0.001 0.000 1.224 293 F CB 0.835 39.839 39.000 0.007 0.000 1.060 293 F HN -0.151 nan 8.300 nan 0.000 0.584 294 D N 0.160 120.586 120.400 0.044 0.000 3.076 294 D HA -0.186 4.455 4.640 0.001 0.000 0.218 294 D C -0.786 175.534 176.300 0.033 0.000 1.156 294 D CA 0.598 54.596 54.000 -0.003 0.000 0.921 294 D CB -1.501 39.283 40.800 -0.026 0.000 1.113 294 D HN 0.212 nan 8.370 nan 0.000 0.418 295 C N -0.312 119.037 119.300 0.083 0.000 2.985 295 C HA 0.575 5.036 4.460 0.001 0.000 0.314 295 C C 0.241 175.282 174.990 0.085 0.000 1.215 295 C CA -1.173 57.886 59.018 0.069 0.000 1.414 295 C CB 1.593 29.368 27.740 0.058 0.000 1.842 295 C HN 0.172 nan 8.230 nan 0.000 0.477 296 L N 2.412 123.671 121.223 0.061 0.000 2.395 296 L HA 0.301 4.642 4.340 0.001 0.000 0.269 296 L C 0.254 177.147 176.870 0.040 0.000 1.133 296 L CA -0.268 54.609 54.840 0.061 0.000 0.812 296 L CB 0.498 42.595 42.059 0.063 0.000 1.125 296 L HN 0.558 nan 8.230 nan 0.000 0.452 297 L N 0.099 121.341 121.223 0.032 0.000 2.717 297 L HA 0.228 4.568 4.340 0.001 0.000 0.239 297 L C -0.002 176.868 176.870 -0.000 0.000 1.086 297 L CA 0.489 55.327 54.840 -0.003 0.000 0.897 297 L CB -0.198 41.842 42.059 -0.031 0.000 1.214 297 L HN 0.475 nan 8.230 nan 0.000 0.508 298 D N 0.717 121.126 120.400 0.016 0.000 2.325 298 D HA 0.477 5.118 4.640 0.001 0.000 0.251 298 D C 1.336 177.648 176.300 0.021 0.000 1.196 298 D CA 0.895 54.903 54.000 0.013 0.000 0.866 298 D CB 0.994 41.804 40.800 0.017 0.000 1.101 298 D HN 0.284 nan 8.370 nan 0.000 0.476 299 G N 1.654 110.463 108.800 0.014 0.000 2.176 299 G HA2 0.027 3.988 3.960 0.001 0.000 0.253 299 G HA3 0.027 3.988 3.960 0.001 0.000 0.253 299 G C 0.587 175.504 174.900 0.027 0.000 0.979 299 G CA 0.114 45.227 45.100 0.022 0.000 0.641 299 G HN 1.138 nan 8.290 nan 0.000 0.530 300 G N -2.468 106.343 108.800 0.018 0.000 2.321 300 G HA2 0.472 4.433 3.960 0.001 0.000 0.339 300 G HA3 0.472 4.433 3.960 0.001 0.000 0.339 300 G C -0.842 174.060 174.900 0.004 0.000 1.518 300 G CA 0.016 45.125 45.100 0.014 0.000 0.994 300 G HN 1.307 nan 8.290 nan 0.000 0.668 301 V N 1.586 121.491 119.914 -0.015 0.000 2.406 301 V HA 0.666 4.787 4.120 0.001 0.000 0.272 301 V C 0.532 176.601 176.094 -0.042 0.000 1.043 301 V CA -0.283 62.002 62.300 -0.026 0.000 0.915 301 V CB 1.091 32.891 31.823 -0.038 0.000 0.988 301 V HN 0.759 nan 8.190 nan 0.000 0.466 302 I N 4.503 125.052 120.570 -0.036 0.000 2.619 302 I HA 0.423 4.594 4.170 0.001 0.000 0.292 302 I C -0.031 176.064 176.117 -0.036 0.000 1.100 302 I CA -0.577 60.675 61.300 -0.081 0.000 1.043 302 I CB 1.849 39.773 38.000 -0.126 0.000 1.239 302 I HN 0.601 nan 8.210 nan 0.000 0.420 303 N N 7.888 126.556 118.700 -0.052 0.000 2.454 303 N HA 0.203 4.944 4.740 0.001 0.000 0.260 303 N C -1.436 174.103 175.510 0.048 0.000 1.218 303 N CA 0.542 53.584 53.050 -0.012 0.000 0.904 303 N CB 0.799 39.262 38.487 -0.040 0.000 1.065 303 N HN 0.640 nan 8.380 nan 0.000 0.462 304 L N 3.308 124.570 121.223 0.065 0.000 2.727 304 L HA 0.052 4.392 4.340 0.001 0.000 0.255 304 L C 0.642 177.530 176.870 0.030 0.000 0.983 304 L CA -0.145 54.761 54.840 0.110 0.000 0.945 304 L CB 0.871 42.996 42.059 0.110 0.000 1.242 304 L HN 0.631 nan 8.230 nan 0.000 0.449 305 S N 1.470 117.180 115.700 0.018 0.000 2.535 305 S HA 0.161 4.631 4.470 0.001 0.000 0.214 305 S C 0.294 174.780 174.600 -0.191 0.000 0.980 305 S CA 0.186 58.339 58.200 -0.080 0.000 0.907 305 S CB 0.338 63.499 63.200 -0.066 0.000 0.790 305 S HN 0.380 nan 8.310 nan 0.000 0.510 306 V N -1.560 118.209 119.914 -0.243 0.000 2.604 306 V HA 0.701 4.822 4.120 0.001 0.000 0.305 306 V C -3.387 172.470 176.094 -0.395 0.000 1.043 306 V CA -3.069 58.992 62.300 -0.398 0.000 0.888 306 V CB 1.332 32.822 31.823 -0.555 0.000 0.995 306 V HN -0.136 nan 8.190 nan 0.000 0.429 307 P HA 0.328 nan 4.420 nan 0.000 0.264 307 P C -0.490 176.536 177.300 -0.457 0.000 1.193 307 P CA 0.462 63.442 63.100 -0.200 0.000 0.763 307 P CB 0.270 31.985 31.700 0.026 0.000 0.810 308 I N 4.359 124.713 120.570 -0.361 0.000 2.503 308 I HA 0.234 4.405 4.170 0.001 0.000 0.277 308 I C 0.125 176.182 176.117 -0.099 0.000 1.078 308 I CA -0.725 60.286 61.300 -0.481 0.000 1.184 308 I CB 0.714 38.487 38.000 -0.378 0.000 1.353 308 I HN 0.100 nan 8.210 nan 0.000 0.490 309 V N 3.338 123.148 119.914 -0.173 0.000 3.040 309 V HA 0.673 4.794 4.120 0.001 0.000 0.312 309 V C -1.191 174.647 176.094 -0.426 0.000 1.115 309 V CA -1.004 61.206 62.300 -0.151 0.000 0.998 309 V CB 2.593 34.217 31.823 -0.332 0.000 1.042 309 V HN 0.416 nan 8.190 nan 0.000 0.433 310 L N 3.299 124.099 121.223 -0.704 0.000 2.333 310 L HA 0.819 5.160 4.340 0.001 0.000 0.280 310 L C 0.417 176.984 176.870 -0.505 0.000 1.004 310 L CA 0.391 54.738 54.840 -0.822 0.000 0.820 310 L CB 1.771 43.123 42.059 -1.178 0.000 1.247 310 L HN 1.193 nan 8.230 nan 0.000 0.416 311 T N 2.163 116.499 114.554 -0.363 0.000 2.902 311 T HA 0.939 5.290 4.350 0.001 0.000 0.280 311 T C -0.237 174.393 174.700 -0.117 0.000 0.992 311 T CA -0.188 61.758 62.100 -0.257 0.000 1.015 311 T CB 1.680 70.441 68.868 -0.178 0.000 1.044 311 T HN 1.066 nan 8.240 nan 0.000 0.520 312 A N 1.424 124.238 122.820 -0.011 0.000 2.566 312 A HA 0.700 5.021 4.320 0.001 0.000 0.297 312 A C 0.257 177.933 177.584 0.152 0.000 1.059 312 A CA -0.683 51.389 52.037 0.059 0.000 0.691 312 A CB 0.955 20.011 19.000 0.093 0.000 1.282 312 A HN 1.332 nan 8.150 nan 0.000 0.401 313 T N -0.914 113.705 114.554 0.108 0.000 2.788 313 T HA 0.223 4.574 4.350 0.001 0.000 0.287 313 T C 1.190 175.997 174.700 0.178 0.000 1.007 313 T CA 0.519 62.715 62.100 0.159 0.000 1.005 313 T CB 0.341 69.267 68.868 0.096 0.000 1.012 313 T HN 0.798 nan 8.240 nan 0.000 0.530 314 H N 0.742 119.910 119.070 0.164 0.000 2.387 314 H HA -0.099 4.457 4.556 0.001 0.000 0.299 314 H C 1.597 176.877 175.328 -0.081 0.000 1.090 314 H CA 2.273 58.369 56.048 0.079 0.000 1.332 314 H CB -0.032 29.816 29.762 0.144 0.000 1.386 314 H HN 0.722 nan 8.280 nan 0.000 0.516 315 E N 0.817 121.033 120.200 0.027 0.000 2.051 315 E HA -0.123 4.227 4.350 0.001 0.000 0.192 315 E C 2.044 178.544 176.600 -0.166 0.000 0.991 315 E CA 1.232 57.605 56.400 -0.045 0.000 0.799 315 E CB -0.344 29.363 29.700 0.012 0.000 0.748 315 E HN 0.539 nan 8.360 nan 0.000 0.449 316 D N 0.099 120.416 120.400 -0.138 0.000 2.178 316 D HA -0.122 4.518 4.640 0.001 0.000 0.202 316 D C 1.750 177.878 176.300 -0.286 0.000 0.974 316 D CA 0.719 54.614 54.000 -0.175 0.000 0.841 316 D CB 0.014 40.748 40.800 -0.110 0.000 0.953 316 D HN 0.051 nan 8.370 nan 0.000 0.478 317 K N 1.371 121.545 120.400 -0.377 0.000 2.057 317 K HA -0.131 4.190 4.320 0.001 0.000 0.206 317 K C 1.725 177.835 176.600 -0.817 0.000 1.050 317 K CA 0.914 56.784 56.287 -0.695 0.000 0.935 317 K CB 0.074 32.026 32.500 -0.914 0.000 0.715 317 K HN 0.162 nan 8.250 nan 0.000 0.439 318 E N 0.195 119.993 120.200 -0.669 0.000 2.106 318 E HA -0.187 4.163 4.350 0.001 0.000 0.192 318 E C 2.244 178.616 176.600 -0.380 0.000 0.984 318 E CA 0.796 56.875 56.400 -0.534 0.000 0.806 318 E CB -0.053 29.378 29.700 -0.447 0.000 0.750 318 E HN 0.261 nan 8.360 nan 0.000 0.458 319 R N 0.627 120.939 120.500 -0.315 0.000 2.096 319 R HA -0.106 4.235 4.340 0.001 0.000 0.235 319 R C 1.989 178.140 176.300 -0.247 0.000 1.127 319 R CA 1.087 57.049 56.100 -0.231 0.000 0.968 319 R CB 0.063 30.252 30.300 -0.186 0.000 0.861 319 R HN 0.148 nan 8.270 nan 0.000 0.440 320 L N -0.355 120.666 121.223 -0.338 0.000 2.609 320 L HA 0.163 4.503 4.340 0.001 0.000 0.230 320 L C 0.239 176.959 176.870 -0.250 0.000 1.087 320 L CA -0.405 54.272 54.840 -0.272 0.000 0.874 320 L CB 0.134 41.983 42.059 -0.349 0.000 1.114 320 L HN 0.125 nan 8.230 nan 0.000 0.488 321 D N 0.300 120.345 120.400 -0.591 0.000 2.390 321 D HA 0.344 4.985 4.640 0.001 0.000 0.249 321 D C 1.111 177.276 176.300 -0.225 0.000 1.144 321 D CA 1.331 54.958 54.000 -0.621 0.000 0.880 321 D CB 1.180 41.391 40.800 -0.982 0.000 1.182 321 D HN 0.249 nan 8.370 nan 0.000 0.451 322 G N 2.330 111.099 108.800 -0.052 0.000 2.254 322 G HA2 -0.251 3.710 3.960 0.001 0.000 0.225 322 G HA3 -0.251 3.710 3.960 0.001 0.000 0.225 322 G C 0.633 175.560 174.900 0.045 0.000 1.003 322 G CA 0.069 45.162 45.100 -0.011 0.000 0.622 322 G HN 1.156 nan 8.290 nan 0.000 0.507 323 C N 1.828 121.183 119.300 0.091 0.000 2.536 323 C HA 0.774 5.235 4.460 0.001 0.000 0.396 323 C C 2.173 177.262 174.990 0.165 0.000 1.279 323 C CA 0.882 59.977 59.018 0.128 0.000 2.148 323 C CB 0.751 28.590 27.740 0.165 0.000 2.584 323 C HN 0.995 nan 8.230 nan 0.000 0.579 324 T N 0.185 114.810 114.554 0.118 0.000 3.088 324 T HA 0.431 4.782 4.350 0.001 0.000 0.259 324 T C 0.484 175.238 174.700 0.089 0.000 1.122 324 T CA 0.686 62.843 62.100 0.096 0.000 1.095 324 T CB -0.168 68.736 68.868 0.060 0.000 0.930 324 T HN 1.907 nan 8.240 nan 0.000 0.508 325 A N 0.795 123.689 122.820 0.122 0.000 2.594 325 A HA 0.650 4.970 4.320 0.001 0.000 0.296 325 A C -1.418 176.277 177.584 0.185 0.000 1.061 325 A CA -1.304 50.775 52.037 0.070 0.000 0.689 325 A CB 0.832 19.843 19.000 0.018 0.000 1.280 325 A HN 0.623 nan 8.150 nan 0.000 0.406 326 F N -0.351 119.628 119.950 0.048 0.000 2.626 326 F HA 0.915 5.443 4.527 0.001 0.000 0.311 326 F C -0.055 175.775 175.800 0.050 0.000 1.088 326 F CA -0.843 57.185 58.000 0.048 0.000 0.949 326 F CB 1.347 40.379 39.000 0.054 0.000 1.322 326 F HN 0.986 nan 8.300 nan 0.000 0.461 327 A N 2.759 125.731 122.820 0.254 0.000 2.310 327 A HA 0.726 5.047 4.320 0.001 0.000 0.299 327 A C -0.840 176.889 177.584 0.241 0.000 1.147 327 A CA -0.802 51.328 52.037 0.155 0.000 0.818 327 A CB 0.582 19.660 19.000 0.131 0.000 1.096 327 A HN 0.831 nan 8.150 nan 0.000 0.495 328 L N 2.320 123.641 121.223 0.165 0.000 2.292 328 L HA 0.471 4.812 4.340 0.001 0.000 0.284 328 L C 0.092 177.065 176.870 0.172 0.000 1.065 328 L CA 0.020 54.977 54.840 0.196 0.000 0.806 328 L CB 1.217 43.381 42.059 0.175 0.000 1.175 328 L HN 0.813 nan 8.230 nan 0.000 0.431 329 M N 4.224 123.931 119.600 0.177 0.000 2.243 329 M HA 0.376 4.857 4.480 0.001 0.000 0.324 329 M C -1.852 174.582 176.300 0.223 0.000 1.031 329 M CA -0.563 54.834 55.300 0.162 0.000 0.949 329 M CB 1.630 34.300 32.600 0.117 0.000 1.615 329 M HN 0.483 nan 8.290 nan 0.000 0.430 330 Y N 3.703 124.045 120.300 0.069 0.000 2.361 330 Y HA 0.317 4.868 4.550 0.001 0.000 0.337 330 Y C -0.336 175.598 175.900 0.056 0.000 0.965 330 Y CA -0.603 57.541 58.100 0.072 0.000 1.091 330 Y CB 1.201 39.707 38.460 0.077 0.000 1.182 330 Y HN 0.902 nan 8.280 nan 0.000 0.450 331 E N 4.207 124.099 120.200 -0.513 0.000 2.269 331 E HA -0.271 4.080 4.350 0.001 0.000 0.223 331 E C 1.072 177.581 176.600 -0.151 0.000 1.244 331 E CA 0.966 57.129 56.400 -0.395 0.000 0.713 331 E CB -1.279 28.096 29.700 -0.541 0.000 1.178 331 E HN 1.250 nan 8.360 nan 0.000 0.370 332 G N -0.036 108.723 108.800 -0.069 0.000 2.189 332 G HA2 -0.400 3.561 3.960 0.001 0.000 0.267 332 G HA3 -0.400 3.561 3.960 0.001 0.000 0.267 332 G C 0.255 175.159 174.900 0.006 0.000 0.975 332 G CA 0.804 45.893 45.100 -0.019 0.000 0.644 332 G HN 0.334 nan 8.290 nan 0.000 0.537 333 R N 0.117 120.626 120.500 0.015 0.000 2.407 333 R HA 0.534 4.875 4.340 0.001 0.000 0.303 333 R C 0.166 176.514 176.300 0.080 0.000 0.981 333 R CA -0.850 55.276 56.100 0.044 0.000 0.905 333 R CB 1.010 31.335 30.300 0.042 0.000 1.099 333 R HN 0.202 nan 8.270 nan 0.000 0.459 334 R N 1.757 122.302 120.500 0.075 0.000 2.288 334 R HA 0.034 4.375 4.340 0.001 0.000 0.330 334 R C 1.201 177.555 176.300 0.090 0.000 1.069 334 R CA -0.153 56.001 56.100 0.089 0.000 0.941 334 R CB 0.638 30.985 30.300 0.079 0.000 0.998 334 R HN 0.544 nan 8.270 nan 0.000 0.452 335 V N -0.533 119.446 119.914 0.108 0.000 3.661 335 V HA 0.507 4.628 4.120 0.001 0.000 0.271 335 V C 0.499 176.646 176.094 0.088 0.000 1.315 335 V CA 0.523 62.884 62.300 0.101 0.000 1.072 335 V CB 0.251 32.145 31.823 0.119 0.000 0.830 335 V HN 0.646 nan 8.190 nan 0.000 0.443 336 A N -0.175 122.694 122.820 0.081 0.000 2.601 336 A HA 0.821 5.142 4.320 0.001 0.000 0.291 336 A C -1.444 176.155 177.584 0.026 0.000 1.075 336 A CA -0.613 51.455 52.037 0.052 0.000 0.671 336 A CB 1.340 20.373 19.000 0.054 0.000 1.277 336 A HN 0.249 nan 8.150 nan 0.000 0.417 337 I N 0.765 121.327 120.570 -0.013 0.000 2.433 337 I HA 0.422 4.593 4.170 0.001 0.000 0.292 337 I C -1.070 174.960 176.117 -0.144 0.000 1.001 337 I CA -0.713 60.547 61.300 -0.068 0.000 1.119 337 I CB 1.828 39.806 38.000 -0.036 0.000 1.289 337 I HN 0.526 nan 8.210 nan 0.000 0.438 338 L N 7.534 128.562 121.223 -0.325 0.000 2.265 338 L HA 0.487 4.828 4.340 0.001 0.000 0.289 338 L C -0.268 176.384 176.870 -0.363 0.000 1.033 338 L CA 0.030 54.626 54.840 -0.407 0.000 0.814 338 L CB 0.378 42.013 42.059 -0.707 0.000 1.203 338 L HN 0.495 nan 8.230 nan 0.000 0.423 339 R N 4.073 124.467 120.500 -0.177 0.000 2.540 339 R HA 0.420 4.761 4.340 0.001 0.000 0.287 339 R C -0.170 176.100 176.300 -0.049 0.000 0.980 339 R CA -0.845 55.202 56.100 -0.089 0.000 0.966 339 R CB 0.955 31.226 30.300 -0.048 0.000 1.106 339 R HN 0.677 nan 8.270 nan 0.000 0.480 340 N N 0.722 119.421 118.700 -0.000 0.000 2.714 340 N HA -0.113 4.628 4.740 0.001 0.000 0.253 340 N C -2.462 173.068 175.510 0.033 0.000 1.024 340 N CA 0.530 53.598 53.050 0.029 0.000 0.726 340 N CB -1.230 37.267 38.487 0.017 0.000 0.908 340 N HN 0.488 nan 8.380 nan 0.000 0.542 341 P HA 0.114 nan 4.420 nan 0.000 0.274 341 P C -0.123 177.194 177.300 0.030 0.000 1.237 341 P CA 0.297 63.399 63.100 0.003 0.000 0.793 341 P CB 0.807 32.553 31.700 0.076 0.000 0.977 342 E N 0.947 121.109 120.200 -0.062 0.000 2.256 342 E HA 0.538 4.889 4.350 0.001 0.000 0.268 342 E C -1.599 175.011 176.600 0.016 0.000 0.877 342 E CA -0.800 55.651 56.400 0.085 0.000 0.757 342 E CB 1.043 30.821 29.700 0.129 0.000 1.183 342 E HN 0.130 nan 8.360 nan 0.000 0.418 343 F N 3.190 123.290 119.950 0.250 0.000 2.427 343 F HA 0.554 5.082 4.527 0.001 0.000 0.346 343 F C -0.402 175.713 175.800 0.525 0.000 1.120 343 F CA -0.699 57.451 58.000 0.251 0.000 1.033 343 F CB 0.978 39.966 39.000 -0.019 0.000 1.126 343 F HN 0.501 nan 8.300 nan 0.000 0.462 344 F N -1.153 119.088 119.950 0.485 0.000 2.662 344 F HA 0.625 5.152 4.527 0.001 0.000 0.312 344 F C -0.835 175.047 175.800 0.137 0.000 1.113 344 F CA -1.506 56.703 58.000 0.348 0.000 0.951 344 F CB 1.013 40.099 39.000 0.142 0.000 1.344 344 F HN 0.304 nan 8.300 nan 0.000 0.462 345 E N 0.969 121.158 120.200 -0.018 0.000 2.384 345 E HA 0.004 4.354 4.350 0.001 0.000 0.266 345 E C 0.349 176.824 176.600 -0.209 0.000 1.012 345 E CA 0.142 56.295 56.400 -0.411 0.000 0.901 345 E CB 0.870 30.379 29.700 -0.319 0.000 0.967 345 E HN 0.877 nan 8.360 nan 0.000 0.435 346 H N 4.250 123.081 119.070 -0.400 0.000 2.353 346 H HA -0.075 4.482 4.556 0.001 0.000 0.300 346 H C -0.087 175.223 175.328 -0.029 0.000 1.090 346 H CA 0.458 56.352 56.048 -0.257 0.000 1.327 346 H CB 0.346 29.961 29.762 -0.245 0.000 1.383 346 H HN 0.361 nan 8.280 nan 0.000 0.508 347 R N 0.938 121.451 120.500 0.022 0.000 2.837 347 R HA -0.200 4.141 4.340 0.001 0.000 0.264 347 R C 0.505 176.777 176.300 -0.047 0.000 0.906 347 R CA 0.773 56.868 56.100 -0.008 0.000 0.711 347 R CB -1.208 29.131 30.300 0.064 0.000 1.701 347 R HN 0.602 nan 8.270 nan 0.000 0.514 348 K N 1.402 121.673 120.400 -0.215 0.000 2.026 348 K HA -0.191 4.130 4.320 0.001 0.000 0.208 348 K C 1.914 178.450 176.600 -0.108 0.000 1.048 348 K CA 1.667 57.778 56.287 -0.293 0.000 0.929 348 K CB 0.022 32.280 32.500 -0.403 0.000 0.713 348 K HN 0.569 nan 8.250 nan 0.000 0.439 349 E N 1.385 121.536 120.200 -0.080 0.000 2.051 349 E HA -0.267 4.084 4.350 0.001 0.000 0.192 349 E C 2.082 178.678 176.600 -0.007 0.000 0.991 349 E CA 1.382 57.758 56.400 -0.039 0.000 0.799 349 E CB 0.092 29.771 29.700 -0.036 0.000 0.748 349 E HN 0.305 nan 8.360 nan 0.000 0.449 350 E N 0.593 120.789 120.200 -0.006 0.000 2.072 350 E HA -0.243 4.107 4.350 0.001 0.000 0.191 350 E C 2.345 178.943 176.600 -0.005 0.000 0.985 350 E CA 0.871 57.268 56.400 -0.005 0.000 0.801 350 E CB -0.120 29.578 29.700 -0.003 0.000 0.750 350 E HN 0.132 nan 8.360 nan 0.000 0.452 351 R N 0.182 120.706 120.500 0.039 0.000 2.080 351 R HA -0.182 4.159 4.340 0.001 0.000 0.236 351 R C 2.384 178.766 176.300 0.137 0.000 1.137 351 R CA 2.051 58.196 56.100 0.074 0.000 0.943 351 R CB -0.700 29.742 30.300 0.237 0.000 0.846 351 R HN 0.340 nan 8.270 nan 0.000 0.431 352 C N 0.318 119.741 119.300 0.204 0.000 2.413 352 C HA -0.069 4.392 4.460 0.001 0.000 0.276 352 C C 2.980 178.139 174.990 0.281 0.000 1.248 352 C CA 0.839 60.071 59.018 0.357 0.000 1.742 352 C CB -1.144 26.666 27.740 0.117 0.000 2.017 352 C HN 0.731 nan 8.230 nan 0.000 0.481 353 A N 0.520 123.412 122.820 0.121 0.000 1.877 353 A HA -0.194 4.127 4.320 0.001 0.000 0.216 353 A C 2.255 179.873 177.584 0.056 0.000 1.186 353 A CA 1.512 53.600 52.037 0.085 0.000 0.620 353 A CB -0.508 18.513 19.000 0.036 0.000 0.822 353 A HN 0.680 nan 8.150 nan 0.000 0.443 354 R N -1.080 119.410 120.500 -0.017 0.000 2.090 354 R HA -0.099 4.242 4.340 0.001 0.000 0.228 354 R C 2.507 178.725 176.300 -0.137 0.000 1.110 354 R CA 1.416 57.452 56.100 -0.108 0.000 0.973 354 R CB -0.247 29.914 30.300 -0.231 0.000 0.869 354 R HN 0.793 nan 8.270 nan 0.000 0.440 355 Q N -0.272 119.442 119.800 -0.144 0.000 2.096 355 Q HA -0.109 4.231 4.340 0.001 0.000 0.197 355 Q C 1.249 176.988 176.000 -0.434 0.000 0.964 355 Q CA 1.001 56.570 55.803 -0.390 0.000 0.838 355 Q CB 0.287 28.652 28.738 -0.621 0.000 0.906 355 Q HN 0.418 nan 8.270 nan 0.000 0.444 356 W N -0.714 120.569 121.300 -0.029 0.000 3.107 356 W HA 0.307 4.968 4.660 0.001 0.000 0.293 356 W C 0.873 177.499 176.519 0.178 0.000 1.239 356 W CA 0.624 58.007 57.345 0.064 0.000 1.653 356 W CB 0.569 29.988 29.460 -0.068 0.000 1.068 356 W HN 0.451 nan 8.180 nan 0.000 0.615 357 G N 1.883 110.845 108.800 0.270 0.000 2.179 357 G HA2 -0.268 3.693 3.960 0.001 0.000 0.257 357 G HA3 -0.268 3.693 3.960 0.001 0.000 0.257 357 G C 0.047 175.058 174.900 0.185 0.000 1.010 357 G CA 1.146 46.385 45.100 0.231 0.000 0.736 357 G HN 0.238 nan 8.290 nan 0.000 0.513 358 T N -2.139 112.515 114.554 0.168 0.000 2.893 358 T HA 0.575 4.925 4.350 0.001 0.000 0.337 358 T C 0.663 175.394 174.700 0.052 0.000 1.587 358 T CA 1.020 63.175 62.100 0.091 0.000 1.066 358 T CB 0.911 69.798 68.868 0.032 0.000 1.414 358 T HN 1.115 nan 8.240 nan 0.000 0.488 359 T N -0.041 114.522 114.554 0.016 0.000 3.174 359 T HA 0.233 4.584 4.350 0.001 0.000 0.269 359 T C 1.108 175.773 174.700 -0.057 0.000 1.017 359 T CA -0.167 61.916 62.100 -0.027 0.000 0.899 359 T CB -1.036 67.826 68.868 -0.010 0.000 1.077 359 T HN 0.778 nan 8.240 nan 0.000 0.552 360 C N 4.213 123.477 119.300 -0.060 0.000 2.409 360 C HA 0.136 4.596 4.460 0.001 0.000 0.398 360 C C 2.024 176.974 174.990 -0.068 0.000 1.507 360 C CA -0.141 58.844 59.018 -0.055 0.000 1.460 360 C CB -0.897 26.769 27.740 -0.124 0.000 2.472 360 C HN 0.856 nan 8.230 nan 0.000 0.614 361 K N 3.657 124.030 120.400 -0.044 0.000 2.442 361 K HA -0.023 4.298 4.320 0.001 0.000 0.198 361 K C 1.055 177.633 176.600 -0.036 0.000 1.042 361 K CA 1.584 57.842 56.287 -0.050 0.000 0.958 361 K CB -0.117 32.361 32.500 -0.036 0.000 0.766 361 K HN 0.642 nan 8.250 nan 0.000 0.474 362 N N 0.703 119.389 118.700 -0.023 0.000 2.280 362 N HA -0.055 4.685 4.740 0.001 0.000 0.192 362 N C -0.541 174.957 175.510 -0.020 0.000 1.109 362 N CA 0.063 53.102 53.050 -0.018 0.000 0.855 362 N CB -0.023 38.455 38.487 -0.015 0.000 0.974 362 N HN 0.333 nan 8.380 nan 0.000 0.482 363 H N 3.280 122.267 119.070 -0.137 0.000 2.886 363 H HA 0.053 4.610 4.556 0.001 0.000 0.329 363 H C -1.474 173.802 175.328 -0.086 0.000 1.044 363 H CA -0.874 55.087 56.048 -0.145 0.000 1.456 363 H CB 1.500 31.111 29.762 -0.252 0.000 1.464 363 H HN 0.032 nan 8.280 nan 0.000 0.573 364 P HA -0.163 nan 4.420 nan 0.000 0.221 364 P C 1.171 178.645 177.300 0.290 0.000 1.150 364 P CA 1.008 64.212 63.100 0.173 0.000 0.800 364 P CB 0.084 31.897 31.700 0.188 0.000 0.787 365 Y N 0.597 121.106 120.300 0.348 0.000 2.269 365 Y HA 0.026 4.577 4.550 0.001 0.000 0.294 365 Y C 2.492 178.255 175.900 -0.229 0.000 1.120 365 Y CA 0.919 59.050 58.100 0.051 0.000 1.159 365 Y CB -0.813 37.875 38.460 0.380 0.000 1.024 365 Y HN -0.282 nan 8.280 nan 0.000 0.532 366 I N 0.336 120.752 120.570 -0.257 0.000 2.264 366 I HA -0.371 3.800 4.170 0.001 0.000 0.248 366 I C 2.488 178.471 176.117 -0.223 0.000 1.111 366 I CA 1.729 62.741 61.300 -0.479 0.000 1.382 366 I CB -0.379 37.240 38.000 -0.634 0.000 1.060 366 I HN 0.168 nan 8.210 nan 0.000 0.418 367 K N 1.010 121.335 120.400 -0.124 0.000 2.103 367 K HA -0.210 4.110 4.320 0.001 0.000 0.207 367 K C 2.201 178.717 176.600 -0.141 0.000 1.048 367 K CA 1.544 57.770 56.287 -0.101 0.000 0.930 367 K CB -0.025 32.449 32.500 -0.043 0.000 0.716 367 K HN 0.244 nan 8.250 nan 0.000 0.444 368 M N 0.093 119.553 119.600 -0.233 0.000 2.099 368 M HA -0.160 4.321 4.480 0.001 0.000 0.262 368 M C 2.163 178.339 176.300 -0.208 0.000 1.067 368 M CA 1.251 56.374 55.300 -0.295 0.000 1.124 368 M CB -0.155 32.083 32.600 -0.604 0.000 1.353 368 M HN -0.006 nan 8.290 nan 0.000 0.410 369 V N 0.425 120.233 119.914 -0.176 0.000 2.332 369 V HA -0.276 3.845 4.120 0.001 0.000 0.248 369 V C 2.520 178.568 176.094 -0.077 0.000 1.055 369 V CA 1.432 63.712 62.300 -0.035 0.000 1.038 369 V CB -0.565 31.299 31.823 0.067 0.000 0.651 369 V HN 0.477 nan 8.190 nan 0.000 0.450 370 M N -0.524 119.008 119.600 -0.115 0.000 2.279 370 M HA -0.129 4.351 4.480 0.001 0.000 0.264 370 M C 1.922 178.170 176.300 -0.086 0.000 1.062 370 M CA 1.382 56.614 55.300 -0.113 0.000 1.099 370 M CB -1.123 31.415 32.600 -0.105 0.000 1.394 370 M HN 0.466 nan 8.290 nan 0.000 0.426 371 E N -0.518 119.638 120.200 -0.073 0.000 2.489 371 E HA 0.007 4.357 4.350 0.001 0.000 0.193 371 E C 0.463 177.047 176.600 -0.028 0.000 1.057 371 E CA -0.078 56.292 56.400 -0.049 0.000 0.866 371 E CB 0.284 29.954 29.700 -0.050 0.000 0.916 371 E HN 0.585 nan 8.360 nan 0.000 0.500 372 Q N -0.061 119.730 119.800 -0.015 0.000 2.316 372 Q HA 0.336 4.677 4.340 0.001 0.000 0.215 372 Q C 0.526 176.558 176.000 0.053 0.000 1.020 372 Q CA -0.465 55.356 55.803 0.030 0.000 0.970 372 Q CB 0.846 29.636 28.738 0.087 0.000 1.187 372 Q HN 0.137 nan 8.270 nan 0.000 0.546 373 G N -0.202 108.649 108.800 0.084 0.000 2.621 373 G HA2 0.007 3.967 3.960 0.001 0.000 0.271 373 G HA3 0.007 3.967 3.960 0.001 0.000 0.271 373 G C -0.380 174.599 174.900 0.132 0.000 1.236 373 G CA -0.392 44.771 45.100 0.105 0.000 0.958 373 G HN 0.582 nan 8.290 nan 0.000 0.512 374 D N -1.005 119.444 120.400 0.082 0.000 2.340 374 D HA 0.100 4.741 4.640 0.001 0.000 0.220 374 D C -0.315 175.751 176.300 -0.390 0.000 1.039 374 D CA 0.276 54.201 54.000 -0.125 0.000 0.866 374 D CB 0.228 40.916 40.800 -0.187 0.000 0.913 374 D HN 0.312 nan 8.370 nan 0.000 0.523 375 W N 0.274 121.578 121.300 0.006 0.000 2.706 375 W HA 0.547 5.207 4.660 0.001 0.000 0.346 375 W C -0.246 176.088 176.519 -0.309 0.000 1.071 375 W CA -0.722 56.566 57.345 -0.094 0.000 1.206 375 W CB 1.182 30.644 29.460 0.003 0.000 1.413 375 W HN -0.374 nan 8.180 nan 0.000 0.542 376 L N 3.048 124.037 121.223 -0.390 0.000 2.333 376 L HA 0.659 5.000 4.340 0.001 0.000 0.269 376 L C -0.520 175.959 176.870 -0.652 0.000 1.010 376 L CA -1.151 53.214 54.840 -0.791 0.000 0.818 376 L CB 1.571 42.705 42.059 -1.542 0.000 1.306 376 L HN 0.232 nan 8.230 nan 0.000 0.430 377 I N 1.093 121.361 120.570 -0.503 0.000 2.447 377 I HA 0.495 4.665 4.170 0.001 0.000 0.287 377 I C 0.237 176.253 176.117 -0.168 0.000 1.023 377 I CA -0.411 60.638 61.300 -0.418 0.000 1.083 377 I CB 1.853 39.611 38.000 -0.402 0.000 1.245 377 I HN 0.599 nan 8.210 nan 0.000 0.434 378 G N 3.242 112.066 108.800 0.041 0.000 2.441 378 G HA2 0.872 4.833 3.960 0.001 0.000 0.334 378 G HA3 0.872 4.833 3.960 0.001 0.000 0.334 378 G C -0.406 174.520 174.900 0.044 0.000 1.161 378 G CA -0.662 44.526 45.100 0.147 0.000 0.935 378 G HN 0.948 nan 8.290 nan 0.000 0.488 379 G N -0.439 108.396 108.800 0.058 0.000 2.315 379 G HA2 0.391 4.351 3.960 0.001 0.000 0.294 379 G HA3 0.391 4.351 3.960 0.001 0.000 0.294 379 G C -1.957 172.941 174.900 -0.002 0.000 1.300 379 G CA -0.831 44.272 45.100 0.004 0.000 0.843 379 G HN 0.504 nan 8.290 nan 0.000 0.527 380 D N 0.520 120.901 120.400 -0.031 0.000 2.313 380 D HA 0.455 5.096 4.640 0.001 0.000 0.239 380 D C -0.462 175.802 176.300 -0.059 0.000 1.142 380 D CA -0.070 53.907 54.000 -0.039 0.000 0.847 380 D CB 2.285 43.066 40.800 -0.031 0.000 1.082 380 D HN 0.272 nan 8.370 nan 0.000 0.480 381 L N 2.413 123.595 121.223 -0.069 0.000 2.282 381 L HA 0.236 4.577 4.340 0.001 0.000 0.288 381 L C -0.344 176.481 176.870 -0.075 0.000 1.033 381 L CA -0.315 54.477 54.840 -0.080 0.000 0.807 381 L CB 1.447 43.426 42.059 -0.133 0.000 1.209 381 L HN 0.263 nan 8.230 nan 0.000 0.423 382 Q N 4.391 124.159 119.800 -0.054 0.000 2.394 382 Q HA 0.522 4.863 4.340 0.001 0.000 0.259 382 Q C -1.651 174.342 176.000 -0.011 0.000 1.021 382 Q CA -0.666 55.120 55.803 -0.029 0.000 0.805 382 Q CB 1.418 30.150 28.738 -0.011 0.000 1.226 382 Q HN 0.576 nan 8.270 nan 0.000 0.476 383 V N 5.504 125.407 119.914 -0.019 0.000 2.567 383 V HA 0.229 4.349 4.120 0.001 0.000 0.289 383 V C 0.872 177.061 176.094 0.157 0.000 1.049 383 V CA -0.281 62.029 62.300 0.015 0.000 0.969 383 V CB 1.315 33.042 31.823 -0.160 0.000 0.995 383 V HN 0.872 nan 8.190 nan 0.000 0.471 384 L N 1.716 123.028 121.223 0.149 0.000 2.452 384 L HA 0.309 4.650 4.340 0.001 0.000 0.194 384 L C 0.284 177.233 176.870 0.131 0.000 1.251 384 L CA -0.234 54.683 54.840 0.128 0.000 2.559 384 L CB -0.113 41.997 42.059 0.086 0.000 2.362 384 L HN 0.581 nan 8.230 nan 0.000 1.086 385 D N 0.514 120.957 120.400 0.072 0.000 2.443 385 D HA 0.114 4.755 4.640 0.001 0.000 0.239 385 D C 0.031 176.309 176.300 -0.037 0.000 1.136 385 D CA 0.042 54.042 54.000 -0.001 0.000 0.879 385 D CB 0.367 41.169 40.800 0.003 0.000 1.195 385 D HN 0.091 nan 8.370 nan 0.000 0.443 386 R N 1.668 122.020 120.500 -0.246 0.000 2.585 386 R HA 0.064 4.405 4.340 0.001 0.000 0.275 386 R C -0.983 175.133 176.300 -0.307 0.000 1.018 386 R CA -0.262 55.552 56.100 -0.476 0.000 1.072 386 R CB 0.292 30.220 30.300 -0.619 0.000 0.953 386 R HN 0.241 nan 8.270 nan 0.000 0.419 387 V N 6.533 126.332 119.914 -0.192 0.000 2.455 387 V HA 0.182 4.303 4.120 0.001 0.000 0.273 387 V C -0.516 175.297 176.094 -0.468 0.000 1.045 387 V CA 0.254 62.398 62.300 -0.260 0.000 0.976 387 V CB 0.080 31.831 31.823 -0.120 0.000 0.993 387 V HN 0.646 nan 8.190 nan 0.000 0.475 388 Y N 2.297 122.434 120.300 -0.271 0.000 2.545 388 Y HA 0.359 4.910 4.550 0.001 0.000 0.348 388 Y C -0.087 175.608 175.900 -0.342 0.000 1.002 388 Y CA -0.720 57.280 58.100 -0.167 0.000 1.039 388 Y CB 2.221 40.647 38.460 -0.056 0.000 1.271 388 Y HN 0.630 nan 8.280 nan 0.000 0.467 389 W N 0.092 121.546 121.300 0.255 0.000 2.975 389 W HA 0.190 4.851 4.660 0.001 0.000 0.316 389 W C 0.022 176.616 176.519 0.125 0.000 1.131 389 W CA -0.214 57.233 57.345 0.169 0.000 1.624 389 W CB 0.448 29.985 29.460 0.128 0.000 1.038 389 W HN 0.506 nan 8.180 nan 0.000 0.571 390 N N 1.889 120.745 118.700 0.260 0.000 2.740 390 N HA -0.174 4.567 4.740 0.001 0.000 0.248 390 N C -0.152 175.438 175.510 0.133 0.000 1.062 390 N CA 1.676 54.808 53.050 0.136 0.000 0.704 390 N CB -1.616 36.925 38.487 0.090 0.000 0.968 390 N HN 0.463 nan 8.380 nan 0.000 0.547 391 D N -2.088 118.406 120.400 0.156 0.000 2.469 391 D HA 0.308 4.948 4.640 0.001 0.000 0.215 391 D C 1.280 177.617 176.300 0.061 0.000 1.154 391 D CA 0.555 54.619 54.000 0.107 0.000 0.832 391 D CB -0.070 40.801 40.800 0.118 0.000 1.008 391 D HN 0.364 nan 8.370 nan 0.000 0.506 392 G N 0.649 109.487 108.800 0.062 0.000 2.175 392 G HA2 -0.256 3.705 3.960 0.001 0.000 0.244 392 G HA3 -0.256 3.705 3.960 0.001 0.000 0.244 392 G C 0.605 175.551 174.900 0.076 0.000 0.982 392 G CA 0.385 45.508 45.100 0.039 0.000 0.641 392 G HN 0.407 nan 8.290 nan 0.000 0.527 393 L N 0.123 121.425 121.223 0.132 0.000 3.016 393 L HA 0.267 4.607 4.340 0.001 0.000 0.267 393 L C 1.474 178.497 176.870 0.256 0.000 1.182 393 L CA -0.083 54.904 54.840 0.245 0.000 0.997 393 L CB 0.273 42.454 42.059 0.203 0.000 1.354 393 L HN -0.042 nan 8.230 nan 0.000 0.569 394 D N 1.225 121.741 120.400 0.193 0.000 2.221 394 D HA -0.200 4.440 4.640 0.001 0.000 0.204 394 D C 2.202 178.595 176.300 0.156 0.000 0.982 394 D CA 1.096 55.236 54.000 0.233 0.000 0.857 394 D CB 0.138 41.051 40.800 0.188 0.000 0.934 394 D HN 0.480 nan 8.370 nan 0.000 0.475 395 Q N 0.137 119.938 119.800 0.003 0.000 2.234 395 Q HA -0.207 4.133 4.340 0.001 0.000 0.206 395 Q C 1.364 177.287 176.000 -0.129 0.000 0.980 395 Q CA 1.229 56.950 55.803 -0.137 0.000 0.869 395 Q CB -0.882 27.662 28.738 -0.323 0.000 0.912 395 Q HN 0.449 nan 8.270 nan 0.000 0.436 396 Y N 0.931 121.294 120.300 0.104 0.000 2.523 396 Y HA 0.241 4.792 4.550 0.001 0.000 0.279 396 Y C 0.812 176.814 175.900 0.171 0.000 1.139 396 Y CA -0.165 58.008 58.100 0.121 0.000 1.296 396 Y CB 0.375 38.898 38.460 0.104 0.000 1.045 396 Y HN -0.035 nan 8.280 nan 0.000 0.538 397 R N 1.769 122.468 120.500 0.330 0.000 3.268 397 R HA 0.223 4.564 4.340 0.001 0.000 0.217 397 R C -0.856 175.628 176.300 0.307 0.000 1.568 397 R CA -0.024 56.272 56.100 0.327 0.000 1.322 397 R CB -0.354 30.150 30.300 0.340 0.000 1.280 397 R HN 0.170 nan 8.270 nan 0.000 0.667 398 L N 1.942 123.356 121.223 0.319 0.000 2.312 398 L HA 0.249 4.590 4.340 0.001 0.000 0.281 398 L C 1.253 178.321 176.870 0.329 0.000 1.070 398 L CA -0.546 54.443 54.840 0.248 0.000 0.805 398 L CB 1.461 43.620 42.059 0.165 0.000 1.174 398 L HN 0.466 nan 8.230 nan 0.000 0.434 399 T N -0.568 114.101 114.554 0.192 0.000 2.813 399 T HA 0.172 4.523 4.350 0.001 0.000 0.297 399 T C -1.871 172.760 174.700 -0.115 0.000 1.036 399 T CA -1.462 60.691 62.100 0.088 0.000 1.044 399 T CB 1.071 69.951 68.868 0.020 0.000 0.993 399 T HN 0.338 nan 8.240 nan 0.000 0.535 400 P HA -0.082 nan 4.420 nan 0.000 0.216 400 P C 1.668 178.833 177.300 -0.224 0.000 1.150 400 P CA 1.244 64.062 63.100 -0.470 0.000 0.843 400 P CB -0.258 31.026 31.700 -0.694 0.000 0.787 401 T N -0.476 113.968 114.554 -0.183 0.000 2.708 401 T HA -0.159 4.191 4.350 0.001 0.000 0.266 401 T C 1.610 176.247 174.700 -0.106 0.000 1.037 401 T CA 1.365 63.398 62.100 -0.112 0.000 1.146 401 T CB -0.725 68.094 68.868 -0.081 0.000 0.865 401 T HN 0.329 nan 8.240 nan 0.000 0.435 402 E N 0.675 120.821 120.200 -0.091 0.000 2.118 402 E HA -0.073 4.277 4.350 0.001 0.000 0.195 402 E C 2.191 178.680 176.600 -0.185 0.000 0.992 402 E CA 0.821 57.167 56.400 -0.090 0.000 0.804 402 E CB -0.286 29.398 29.700 -0.027 0.000 0.741 402 E HN 0.417 nan 8.360 nan 0.000 0.458 403 L N 0.748 121.824 121.223 -0.246 0.000 2.056 403 L HA -0.178 4.162 4.340 0.001 0.000 0.207 403 L C 2.360 178.718 176.870 -0.853 0.000 1.078 403 L CA 1.209 55.708 54.840 -0.568 0.000 0.749 403 L CB -0.206 41.614 42.059 -0.398 0.000 0.901 403 L HN 0.007 nan 8.230 nan 0.000 0.433 404 K N -0.537 119.646 120.400 -0.362 0.000 2.097 404 K HA -0.233 4.087 4.320 0.001 0.000 0.205 404 K C 2.158 178.697 176.600 -0.102 0.000 1.050 404 K CA 1.190 57.407 56.287 -0.118 0.000 0.938 404 K CB -0.055 32.448 32.500 0.006 0.000 0.718 404 K HN 0.089 nan 8.250 nan 0.000 0.442 405 Q N 1.620 121.341 119.800 -0.132 0.000 2.119 405 Q HA -0.174 4.166 4.340 0.001 0.000 0.201 405 Q C 1.824 177.772 176.000 -0.086 0.000 0.972 405 Q CA 1.676 57.434 55.803 -0.074 0.000 0.847 405 Q CB -0.019 28.681 28.738 -0.064 0.000 0.903 405 Q HN -0.027 nan 8.270 nan 0.000 0.433 406 K N -0.397 119.885 120.400 -0.197 0.000 2.026 406 K HA -0.102 4.219 4.320 0.001 0.000 0.208 406 K C 1.559 178.136 176.600 -0.037 0.000 1.048 406 K CA 1.521 57.708 56.287 -0.167 0.000 0.929 406 K CB -0.599 31.741 32.500 -0.267 0.000 0.713 406 K HN 0.229 nan 8.250 nan 0.000 0.439 407 F N 1.233 121.200 119.950 0.028 0.000 2.171 407 F HA -0.009 4.518 4.527 0.001 0.000 0.300 407 F C 2.105 177.928 175.800 0.037 0.000 1.090 407 F CA 1.066 59.087 58.000 0.035 0.000 1.293 407 F CB -0.640 38.382 39.000 0.037 0.000 1.013 407 F HN 0.047 nan 8.300 nan 0.000 0.486 408 K N 0.220 120.739 120.400 0.198 0.000 2.026 408 K HA -0.175 4.145 4.320 0.001 0.000 0.208 408 K C 1.740 178.390 176.600 0.083 0.000 1.048 408 K CA 1.691 58.050 56.287 0.119 0.000 0.929 408 K CB -0.326 32.221 32.500 0.077 0.000 0.713 408 K HN 0.093 nan 8.250 nan 0.000 0.439 409 D N 0.503 120.938 120.400 0.059 0.000 2.158 409 D HA -0.183 4.458 4.640 0.001 0.000 0.197 409 D C 1.618 177.953 176.300 0.058 0.000 0.995 409 D CA 1.388 55.413 54.000 0.042 0.000 0.846 409 D CB -0.051 40.762 40.800 0.022 0.000 0.941 409 D HN 0.254 nan 8.370 nan 0.000 0.456 410 M N -0.375 119.279 119.600 0.091 0.000 2.595 410 M HA 0.026 4.507 4.480 0.001 0.000 0.248 410 M C -0.024 176.333 176.300 0.095 0.000 1.119 410 M CA 0.146 55.505 55.300 0.098 0.000 1.079 410 M CB 0.160 32.844 32.600 0.140 0.000 1.472 410 M HN -0.095 nan 8.290 nan 0.000 0.501 411 N N 0.734 119.490 118.700 0.094 0.000 2.735 411 N HA -0.125 4.616 4.740 0.001 0.000 0.248 411 N C -0.304 175.269 175.510 0.105 0.000 1.083 411 N CA 0.663 53.763 53.050 0.085 0.000 0.703 411 N CB -0.871 37.650 38.487 0.057 0.000 1.005 411 N HN 0.471 nan 8.380 nan 0.000 0.550 412 A N 0.902 123.799 122.820 0.129 0.000 2.445 412 A HA 0.182 4.503 4.320 0.001 0.000 0.242 412 A C 1.190 178.862 177.584 0.146 0.000 1.075 412 A CA 0.611 52.717 52.037 0.116 0.000 0.777 412 A CB 0.300 19.346 19.000 0.077 0.000 1.013 412 A HN 0.364 nan 8.150 nan 0.000 0.493 413 D N -0.389 120.121 120.400 0.185 0.000 2.469 413 D HA 0.455 5.096 4.640 0.001 0.000 0.213 413 D C -0.045 176.455 176.300 0.335 0.000 1.135 413 D CA 0.692 54.889 54.000 0.328 0.000 0.834 413 D CB 0.179 41.242 40.800 0.438 0.000 1.009 413 D HN 0.763 nan 8.370 nan 0.000 0.507 414 A N -0.230 122.645 122.820 0.091 0.000 2.566 414 A HA 0.600 4.921 4.320 0.001 0.000 0.297 414 A C -1.722 175.789 177.584 -0.121 0.000 1.059 414 A CA -0.690 51.303 52.037 -0.074 0.000 0.691 414 A CB 1.930 20.699 19.000 -0.385 0.000 1.282 414 A HN 0.013 nan 8.150 nan 0.000 0.401 415 V N 2.345 122.169 119.914 -0.150 0.000 2.483 415 V HA 0.628 4.749 4.120 0.001 0.000 0.297 415 V C 0.216 176.261 176.094 -0.082 0.000 1.027 415 V CA -0.177 61.951 62.300 -0.287 0.000 0.855 415 V CB 1.756 33.160 31.823 -0.699 0.000 0.995 415 V HN 1.188 nan 8.190 nan 0.000 0.424 416 S N 4.117 119.792 115.700 -0.042 0.000 2.462 416 S HA 0.887 5.358 4.470 0.001 0.000 0.294 416 S C -0.223 174.380 174.600 0.005 0.000 1.144 416 S CA -0.358 57.870 58.200 0.047 0.000 1.088 416 S CB 1.837 65.058 63.200 0.036 0.000 1.009 416 S HN 1.186 nan 8.310 nan 0.000 0.484 417 A N 2.840 125.662 122.820 0.003 0.000 2.337 417 A HA 0.804 5.125 4.320 0.001 0.000 0.329 417 A C -1.165 176.344 177.584 -0.126 0.000 1.146 417 A CA -0.753 51.269 52.037 -0.024 0.000 0.800 417 A CB 0.659 19.684 19.000 0.040 0.000 1.220 417 A HN 0.980 nan 8.150 nan 0.000 0.472 418 F N 1.699 121.529 119.950 -0.200 0.000 2.577 418 F HA 0.446 4.974 4.527 0.001 0.000 0.344 418 F C 0.078 175.765 175.800 -0.189 0.000 1.145 418 F CA -0.488 57.362 58.000 -0.249 0.000 0.996 418 F CB 1.771 40.656 39.000 -0.192 0.000 1.248 418 F HN 0.712 nan 8.300 nan 0.000 0.447 419 Q N 5.334 124.869 119.800 -0.442 0.000 2.332 419 Q HA 0.623 4.964 4.340 0.001 0.000 0.263 419 Q C -1.965 173.859 176.000 -0.294 0.000 0.979 419 Q CA 0.307 55.914 55.803 -0.328 0.000 0.885 419 Q CB 1.074 29.605 28.738 -0.346 0.000 1.218 419 Q HN 0.784 nan 8.270 nan 0.000 0.405 420 L N 3.856 124.989 121.223 -0.149 0.000 2.434 420 L HA 0.565 4.905 4.340 0.001 0.000 0.260 420 L C 0.251 177.082 176.870 -0.064 0.000 0.983 420 L CA -0.631 54.162 54.840 -0.078 0.000 0.820 420 L CB 2.245 44.278 42.059 -0.043 0.000 1.361 420 L HN 0.910 nan 8.230 nan 0.000 0.410 421 R N -0.159 120.328 120.500 -0.021 0.000 2.531 421 R HA 0.392 4.733 4.340 0.001 0.000 0.316 421 R C -0.449 175.872 176.300 0.035 0.000 0.955 421 R CA -0.382 55.722 56.100 0.008 0.000 1.120 421 R CB 0.267 30.589 30.300 0.035 0.000 1.361 421 R HN 0.634 nan 8.270 nan 0.000 0.534 422 N N 0.809 119.529 118.700 0.033 0.000 2.577 422 N HA 0.451 5.192 4.740 0.001 0.000 0.285 422 N C -2.973 172.575 175.510 0.063 0.000 1.309 422 N CA -2.206 50.877 53.050 0.055 0.000 0.798 422 N CB 1.880 40.433 38.487 0.111 0.000 1.463 422 N HN -0.158 nan 8.380 nan 0.000 0.518 423 P HA 0.022 nan 4.420 nan 0.000 0.269 423 P C -0.905 176.427 177.300 0.054 0.000 1.209 423 P CA -0.080 63.100 63.100 0.133 0.000 0.776 423 P CB 0.557 32.336 31.700 0.132 0.000 0.876 424 V N 4.191 124.125 119.914 0.033 0.000 2.427 424 V HA 0.154 4.275 4.120 0.001 0.000 0.268 424 V C 0.588 176.682 176.094 -0.000 0.000 1.046 424 V CA 0.050 62.261 62.300 -0.148 0.000 0.970 424 V CB -0.545 31.111 31.823 -0.279 0.000 1.001 424 V HN 0.704 nan 8.190 nan 0.000 0.476 425 H N 3.509 122.690 119.070 0.185 0.000 2.649 425 H HA 0.518 5.075 4.556 0.001 0.000 0.337 425 H C 0.522 175.687 175.328 -0.272 0.000 1.282 425 H CA -1.475 54.406 56.048 -0.277 0.000 1.333 425 H CB 0.349 29.585 29.762 -0.876 0.000 1.787 425 H HN 0.256 nan 8.280 nan 0.000 0.632 426 N N -0.455 118.163 118.700 -0.136 0.000 2.515 426 N HA 0.014 4.754 4.740 0.001 0.000 0.185 426 N C 1.823 177.279 175.510 -0.090 0.000 1.109 426 N CA 0.861 53.843 53.050 -0.113 0.000 0.903 426 N CB -0.284 38.130 38.487 -0.121 0.000 0.969 426 N HN 0.857 nan 8.380 nan 0.000 0.450 427 G N 0.306 109.100 108.800 -0.010 0.000 2.404 427 G HA2 -0.228 3.733 3.960 0.001 0.000 0.215 427 G HA3 -0.228 3.733 3.960 0.001 0.000 0.215 427 G C 1.192 176.043 174.900 -0.082 0.000 1.174 427 G CA 0.702 45.761 45.100 -0.068 0.000 0.780 427 G HN 0.415 nan 8.290 nan 0.000 0.537 428 H N 0.775 119.859 119.070 0.023 0.000 2.319 428 H HA 0.070 4.627 4.556 0.001 0.000 0.299 428 H C 2.919 177.989 175.328 -0.429 0.000 1.092 428 H CA 1.293 57.185 56.048 -0.261 0.000 1.302 428 H CB -0.058 29.433 29.762 -0.452 0.000 1.373 428 H HN 0.415 nan 8.280 nan 0.000 0.497 429 A N 0.921 123.618 122.820 -0.205 0.000 1.933 429 A HA -0.157 4.164 4.320 0.001 0.000 0.218 429 A C 2.257 179.707 177.584 -0.223 0.000 1.175 429 A CA 1.406 53.295 52.037 -0.246 0.000 0.628 429 A CB -0.687 18.207 19.000 -0.176 0.000 0.814 429 A HN 0.327 nan 8.150 nan 0.000 0.444 430 L N -0.689 120.414 121.223 -0.201 0.000 2.012 430 L HA -0.165 4.176 4.340 0.001 0.000 0.210 430 L C 2.202 178.928 176.870 -0.240 0.000 1.073 430 L CA 1.836 56.551 54.840 -0.209 0.000 0.748 430 L CB -0.669 41.219 42.059 -0.285 0.000 0.891 430 L HN 0.297 nan 8.230 nan 0.000 0.431 431 L N -1.238 119.789 121.223 -0.327 0.000 2.046 431 L HA -0.206 4.135 4.340 0.001 0.000 0.208 431 L C 2.487 179.114 176.870 -0.405 0.000 1.077 431 L CA 2.012 56.480 54.840 -0.619 0.000 0.747 431 L CB -0.644 41.158 42.059 -0.427 0.000 0.896 431 L HN 0.280 nan 8.230 nan 0.000 0.432 432 M N -1.788 117.637 119.600 -0.292 0.000 2.132 432 M HA -0.216 4.264 4.480 0.001 0.000 0.263 432 M C 2.295 178.534 176.300 -0.101 0.000 1.065 432 M CA 1.533 56.714 55.300 -0.198 0.000 1.122 432 M CB -0.373 32.038 32.600 -0.315 0.000 1.365 432 M HN 0.257 nan 8.290 nan 0.000 0.411 433 Q N 0.224 119.953 119.800 -0.119 0.000 2.083 433 Q HA -0.154 4.187 4.340 0.001 0.000 0.198 433 Q C 1.533 177.556 176.000 0.038 0.000 0.969 433 Q CA 1.143 56.913 55.803 -0.054 0.000 0.838 433 Q CB -0.032 28.660 28.738 -0.077 0.000 0.900 433 Q HN 0.404 nan 8.270 nan 0.000 0.436 434 D N -0.357 120.064 120.400 0.036 0.000 2.183 434 D HA -0.081 4.560 4.640 0.001 0.000 0.203 434 D C 1.744 178.162 176.300 0.196 0.000 0.969 434 D CA 1.121 55.209 54.000 0.147 0.000 0.842 434 D CB -0.106 40.849 40.800 0.259 0.000 0.957 434 D HN 0.156 nan 8.370 nan 0.000 0.484 435 T N -0.601 114.065 114.554 0.187 0.000 2.708 435 T HA -0.206 4.145 4.350 0.001 0.000 0.266 435 T C 1.723 176.450 174.700 0.045 0.000 1.037 435 T CA 1.568 63.768 62.100 0.167 0.000 1.146 435 T CB -0.484 68.482 68.868 0.163 0.000 0.865 435 T HN 0.320 nan 8.240 nan 0.000 0.435 436 H N 1.272 120.319 119.070 -0.038 0.000 2.353 436 H HA -0.045 4.512 4.556 0.001 0.000 0.298 436 H C 2.213 177.518 175.328 -0.038 0.000 1.103 436 H CA 1.719 57.733 56.048 -0.056 0.000 1.293 436 H CB 0.025 29.759 29.762 -0.046 0.000 1.372 436 H HN 0.251 nan 8.280 nan 0.000 0.501 437 K N -0.195 120.261 120.400 0.094 0.000 2.057 437 K HA -0.146 4.174 4.320 0.001 0.000 0.206 437 K C 2.419 179.006 176.600 -0.022 0.000 1.050 437 K CA 1.552 57.865 56.287 0.043 0.000 0.935 437 K CB -0.028 32.522 32.500 0.082 0.000 0.715 437 K HN 0.485 nan 8.250 nan 0.000 0.439 438 Q N 0.596 120.387 119.800 -0.015 0.000 2.124 438 Q HA -0.108 4.233 4.340 0.001 0.000 0.202 438 Q C 2.132 178.071 176.000 -0.103 0.000 0.977 438 Q CA 1.139 56.915 55.803 -0.045 0.000 0.850 438 Q CB -0.035 28.682 28.738 -0.035 0.000 0.901 438 Q HN 0.298 nan 8.270 nan 0.000 0.429 439 L N 0.077 121.189 121.223 -0.184 0.000 2.027 439 L HA -0.180 4.161 4.340 0.001 0.000 0.206 439 L C 2.303 179.156 176.870 -0.029 0.000 1.074 439 L CA 0.822 55.548 54.840 -0.190 0.000 0.745 439 L CB -0.453 41.359 42.059 -0.412 0.000 0.898 439 L HN 0.272 nan 8.230 nan 0.000 0.433 440 L N -0.181 120.959 121.223 -0.138 0.000 2.013 440 L HA -0.260 4.080 4.340 0.001 0.000 0.212 440 L C 2.524 179.362 176.870 -0.053 0.000 1.073 440 L CA 1.556 56.337 54.840 -0.098 0.000 0.753 440 L CB -0.523 41.460 42.059 -0.127 0.000 0.890 440 L HN 0.309 nan 8.230 nan 0.000 0.432 441 E N -0.293 119.878 120.200 -0.048 0.000 2.204 441 E HA -0.195 4.156 4.350 0.001 0.000 0.195 441 E C 2.140 178.712 176.600 -0.046 0.000 0.990 441 E CA 0.750 57.127 56.400 -0.038 0.000 0.821 441 E CB 0.028 29.712 29.700 -0.027 0.000 0.750 441 E HN 0.412 nan 8.360 nan 0.000 0.477 442 R N -0.930 119.546 120.500 -0.040 0.000 2.299 442 R HA 0.045 4.386 4.340 0.001 0.000 0.197 442 R C 1.176 177.365 176.300 -0.185 0.000 0.971 442 R CA 0.569 56.631 56.100 -0.064 0.000 1.030 442 R CB 0.570 30.884 30.300 0.024 0.000 0.932 442 R HN 0.257 nan 8.270 nan 0.000 0.477 443 G N -0.575 108.121 108.800 -0.173 0.000 2.211 443 G HA2 -0.248 3.712 3.960 0.001 0.000 0.201 443 G HA3 -0.248 3.712 3.960 0.001 0.000 0.201 443 G C -0.297 174.432 174.900 -0.286 0.000 0.997 443 G CA -0.641 44.318 45.100 -0.235 0.000 0.652 443 G HN 0.207 nan 8.290 nan 0.000 0.500 444 Y N 0.444 120.705 120.300 -0.065 0.000 2.442 444 Y HA 0.562 5.113 4.550 0.001 0.000 0.330 444 Y C 1.705 177.584 175.900 -0.035 0.000 1.129 444 Y CA 0.239 58.317 58.100 -0.037 0.000 1.365 444 Y CB 0.776 39.179 38.460 -0.094 0.000 1.233 444 Y HN 0.058 nan 8.280 nan 0.000 0.529 445 R N 0.996 121.580 120.500 0.141 0.000 2.225 445 R HA 0.245 4.586 4.340 0.001 0.000 0.194 445 R C -0.007 176.339 176.300 0.075 0.000 0.957 445 R CA 0.468 56.616 56.100 0.080 0.000 1.042 445 R CB 0.419 30.767 30.300 0.080 0.000 1.004 445 R HN 0.565 nan 8.270 nan 0.000 0.509 446 R N 0.490 121.055 120.500 0.109 0.000 2.653 446 R HA 0.247 4.588 4.340 0.001 0.000 0.269 446 R C -2.637 173.710 176.300 0.079 0.000 1.603 446 R CA -1.492 54.663 56.100 0.092 0.000 1.671 446 R CB 1.590 31.950 30.300 0.100 0.000 1.300 446 R HN 0.017 nan 8.270 nan 0.000 0.668 447 P HA 0.117 nan 4.420 nan 0.000 0.275 447 P C -0.259 177.078 177.300 0.061 0.000 1.227 447 P CA -0.123 62.963 63.100 -0.023 0.000 0.781 447 P CB 1.632 33.230 31.700 -0.170 0.000 0.906 448 V N 4.110 124.027 119.914 0.005 0.000 2.680 448 V HA 0.313 4.434 4.120 0.001 0.000 0.309 448 V C 0.080 176.160 176.094 -0.024 0.000 1.052 448 V CA -0.893 61.417 62.300 0.016 0.000 0.908 448 V CB 1.951 33.776 31.823 0.003 0.000 1.001 448 V HN 0.417 nan 8.190 nan 0.000 0.431 449 L N 5.334 126.567 121.223 0.017 0.000 2.275 449 L HA 0.624 4.965 4.340 0.001 0.000 0.288 449 L C -0.747 176.140 176.870 0.028 0.000 1.046 449 L CA -0.206 54.637 54.840 0.004 0.000 0.805 449 L CB 1.322 43.374 42.059 -0.011 0.000 1.193 449 L HN 0.616 nan 8.230 nan 0.000 0.426 450 L N 6.338 127.574 121.223 0.021 0.000 2.272 450 L HA 0.452 4.793 4.340 0.001 0.000 0.284 450 L C -1.074 175.831 176.870 0.057 0.000 1.045 450 L CA -0.251 54.626 54.840 0.062 0.000 0.842 450 L CB 0.863 42.949 42.059 0.046 0.000 1.224 450 L HN 0.701 nan 8.230 nan 0.000 0.430 451 L N 5.554 126.813 121.223 0.060 0.000 2.268 451 L HA 0.375 4.715 4.340 0.001 0.000 0.289 451 L C -0.919 176.031 176.870 0.133 0.000 1.064 451 L CA 0.227 55.093 54.840 0.044 0.000 0.824 451 L CB 0.111 42.138 42.059 -0.054 0.000 1.202 451 L HN 0.607 nan 8.230 nan 0.000 0.433 452 H N 5.877 124.955 119.070 0.014 0.000 2.348 452 H HA 0.453 5.010 4.556 0.001 0.000 0.232 452 H C -2.595 172.724 175.328 -0.015 0.000 1.419 452 H CA -2.502 53.555 56.048 0.015 0.000 1.416 452 H CB 0.347 30.103 29.762 -0.010 0.000 1.510 452 H HN 0.421 nan 8.280 nan 0.000 0.507 453 P HA -0.044 nan 4.420 nan 0.000 0.265 453 P C 0.309 177.556 177.300 -0.087 0.000 1.193 453 P CA -0.165 62.936 63.100 0.003 0.000 0.765 453 P CB 1.435 33.189 31.700 0.090 0.000 0.823 454 L N 2.551 123.712 121.223 -0.104 0.000 2.397 454 L HA 0.450 4.790 4.340 0.001 0.000 0.271 454 L C 1.188 177.965 176.870 -0.155 0.000 1.148 454 L CA 0.433 55.200 54.840 -0.121 0.000 0.825 454 L CB 0.450 42.454 42.059 -0.093 0.000 1.117 454 L HN 0.559 nan 8.230 nan 0.000 0.456 455 G N 2.888 111.554 108.800 -0.223 0.000 3.342 455 G HA2 0.250 4.210 3.960 0.001 0.000 0.252 455 G HA3 0.250 4.210 3.960 0.001 0.000 0.252 455 G C 0.377 175.103 174.900 -0.290 0.000 1.011 455 G CA 0.350 45.311 45.100 -0.231 0.000 0.869 455 G HN 0.888 nan 8.290 nan 0.000 0.514 456 G N -0.475 108.141 108.800 -0.306 0.000 2.553 456 G HA2 0.337 4.298 3.960 0.001 0.000 0.278 456 G HA3 0.337 4.298 3.960 0.001 0.000 0.278 456 G C -0.258 174.580 174.900 -0.103 0.000 1.349 456 G CA -0.977 43.962 45.100 -0.268 0.000 1.037 456 G HN 0.235 nan 8.290 nan 0.000 0.508 457 W N 1.326 122.520 121.300 -0.177 0.000 2.409 457 W HA 0.324 4.985 4.660 0.001 0.000 0.338 457 W C 0.729 177.280 176.519 0.055 0.000 1.273 457 W CA 0.875 58.194 57.345 -0.043 0.000 1.299 457 W CB 0.246 29.717 29.460 0.018 0.000 1.192 457 W HN 0.642 nan 8.180 nan 0.000 0.565 458 T N 3.302 117.427 114.554 -0.714 0.000 2.887 458 T HA 0.469 4.819 4.350 0.001 0.000 0.292 458 T C -0.383 173.513 174.700 -1.340 0.000 1.087 458 T CA -1.361 60.310 62.100 -0.715 0.000 1.009 458 T CB 1.614 70.337 68.868 -0.241 0.000 1.203 458 T HN 0.589 nan 8.240 nan 0.000 0.518 459 K N 0.475 120.429 120.400 -0.744 0.000 2.219 459 K HA 0.233 4.554 4.320 0.001 0.000 0.258 459 K C -0.252 176.140 176.600 -0.347 0.000 1.008 459 K CA -0.308 55.611 56.287 -0.614 0.000 0.928 459 K CB 0.274 32.492 32.500 -0.470 0.000 0.983 459 K HN 0.407 nan 8.250 nan 0.000 0.484 460 D N 0.828 121.103 120.400 -0.208 0.000 2.182 460 D HA -0.169 4.472 4.640 0.001 0.000 0.201 460 D C 0.876 177.139 176.300 -0.061 0.000 0.986 460 D CA 1.689 55.627 54.000 -0.102 0.000 0.847 460 D CB -0.058 40.723 40.800 -0.032 0.000 0.942 460 D HN 0.751 nan 8.370 nan 0.000 0.467 461 D N -0.602 119.760 120.400 -0.062 0.000 2.339 461 D HA -0.014 4.627 4.640 0.001 0.000 0.217 461 D C -0.141 176.170 176.300 0.018 0.000 1.050 461 D CA -0.165 53.833 54.000 -0.004 0.000 0.856 461 D CB -0.244 40.556 40.800 -0.001 0.000 0.922 461 D HN -0.033 nan 8.370 nan 0.000 0.518 462 D N 0.212 120.595 120.400 -0.028 0.000 2.344 462 D HA 0.127 4.767 4.640 0.001 0.000 0.244 462 D C 0.077 176.358 176.300 -0.032 0.000 1.134 462 D CA -0.511 53.484 54.000 -0.008 0.000 0.930 462 D CB 1.612 42.401 40.800 -0.019 0.000 1.175 462 D HN -0.183 nan 8.370 nan 0.000 0.437 463 V N 3.385 123.246 119.914 -0.088 0.000 2.521 463 V HA 0.136 4.257 4.120 0.001 0.000 0.286 463 V C -1.893 174.050 176.094 -0.251 0.000 1.034 463 V CA -1.116 60.987 62.300 -0.328 0.000 1.045 463 V CB 0.610 32.173 31.823 -0.432 0.000 0.974 463 V HN 0.466 nan 8.190 nan 0.000 0.480 464 P HA 0.029 nan 4.420 nan 0.000 0.269 464 P C 0.747 177.973 177.300 -0.123 0.000 1.209 464 P CA -0.325 62.723 63.100 -0.088 0.000 0.776 464 P CB 0.570 32.314 31.700 0.073 0.000 0.876 465 L N 3.448 124.585 121.223 -0.144 0.000 2.051 465 L HA -0.229 4.112 4.340 0.001 0.000 0.214 465 L C 2.035 178.777 176.870 -0.213 0.000 1.076 465 L CA 2.261 56.993 54.840 -0.180 0.000 0.758 465 L CB -1.100 40.855 42.059 -0.175 0.000 0.890 465 L HN 0.359 nan 8.230 nan 0.000 0.433 466 M N -1.524 117.948 119.600 -0.213 0.000 2.117 466 M HA -0.195 4.286 4.480 0.001 0.000 0.262 466 M C 1.947 178.032 176.300 -0.357 0.000 1.065 466 M CA 1.838 56.958 55.300 -0.299 0.000 1.114 466 M CB -0.782 31.603 32.600 -0.359 0.000 1.361 466 M HN 0.352 nan 8.290 nan 0.000 0.408 467 W N 0.229 121.371 121.300 -0.264 0.000 2.388 467 W HA -0.061 4.599 4.660 0.001 0.000 0.294 467 W C 2.422 178.707 176.519 -0.391 0.000 1.212 467 W CA 1.017 58.168 57.345 -0.324 0.000 1.271 467 W CB -0.299 28.875 29.460 -0.476 0.000 1.126 467 W HN 0.148 nan 8.180 nan 0.000 0.535 468 R N -0.582 119.776 120.500 -0.237 0.000 2.073 468 R HA -0.184 4.157 4.340 0.001 0.000 0.234 468 R C 2.144 177.978 176.300 -0.776 0.000 1.134 468 R CA 1.498 57.302 56.100 -0.494 0.000 0.952 468 R CB -0.632 29.405 30.300 -0.439 0.000 0.850 468 R HN 0.135 nan 8.270 nan 0.000 0.433 469 M N 0.908 120.189 119.600 -0.532 0.000 2.117 469 M HA -0.136 4.345 4.480 0.001 0.000 0.262 469 M C 1.884 178.011 176.300 -0.288 0.000 1.065 469 M CA 1.661 56.678 55.300 -0.472 0.000 1.114 469 M CB -0.692 31.643 32.600 -0.440 0.000 1.361 469 M HN 0.049 nan 8.290 nan 0.000 0.408 470 K N -0.338 119.931 120.400 -0.218 0.000 2.057 470 K HA -0.172 4.149 4.320 0.001 0.000 0.207 470 K C 2.168 178.736 176.600 -0.052 0.000 1.049 470 K CA 0.976 57.201 56.287 -0.102 0.000 0.931 470 K CB -0.213 32.231 32.500 -0.094 0.000 0.714 470 K HN 0.322 nan 8.250 nan 0.000 0.440 471 Q N 0.499 120.246 119.800 -0.088 0.000 2.079 471 Q HA -0.183 4.158 4.340 0.001 0.000 0.200 471 Q C 1.838 177.877 176.000 0.065 0.000 0.974 471 Q CA 1.659 57.452 55.803 -0.017 0.000 0.840 471 Q CB 0.014 28.728 28.738 -0.040 0.000 0.898 471 Q HN 0.465 nan 8.270 nan 0.000 0.430 472 H N -0.032 119.003 119.070 -0.058 0.000 2.357 472 H HA -0.001 4.555 4.556 0.001 0.000 0.301 472 H C 1.938 177.241 175.328 -0.041 0.000 1.082 472 H CA 1.353 57.359 56.048 -0.070 0.000 1.342 472 H CB -0.629 29.066 29.762 -0.111 0.000 1.389 472 H HN 0.378 nan 8.280 nan 0.000 0.511 473 A N 1.065 123.938 122.820 0.087 0.000 1.908 473 A HA -0.129 4.191 4.320 0.001 0.000 0.218 473 A C 2.657 180.275 177.584 0.056 0.000 1.181 473 A CA 1.990 54.069 52.037 0.071 0.000 0.627 473 A CB -0.927 18.112 19.000 0.065 0.000 0.818 473 A HN 0.455 nan 8.150 nan 0.000 0.445 474 A N -0.640 122.212 122.820 0.052 0.000 1.930 474 A HA 0.044 4.365 4.320 0.001 0.000 0.217 474 A C 2.208 179.820 177.584 0.047 0.000 1.175 474 A CA 1.643 53.710 52.037 0.051 0.000 0.627 474 A CB -0.862 18.172 19.000 0.057 0.000 0.815 474 A HN 0.389 nan 8.150 nan 0.000 0.443 475 V N -0.356 119.587 119.914 0.048 0.000 2.332 475 V HA -0.253 3.868 4.120 0.001 0.000 0.248 475 V C 2.506 178.600 176.094 0.001 0.000 1.055 475 V CA 2.018 64.330 62.300 0.020 0.000 1.038 475 V CB -0.759 31.064 31.823 -0.001 0.000 0.651 475 V HN 0.489 nan 8.190 nan 0.000 0.450 476 L N -0.199 121.029 121.223 0.007 0.000 2.093 476 L HA -0.129 4.212 4.340 0.001 0.000 0.208 476 L C 2.497 179.373 176.870 0.009 0.000 1.085 476 L CA 1.912 56.753 54.840 0.000 0.000 0.755 476 L CB -0.738 41.330 42.059 0.016 0.000 0.904 476 L HN 0.402 nan 8.230 nan 0.000 0.435 477 E N -0.193 120.020 120.200 0.021 0.000 2.118 477 E HA -0.234 4.117 4.350 0.001 0.000 0.195 477 E C 1.610 178.220 176.600 0.016 0.000 0.992 477 E CA 1.138 57.551 56.400 0.022 0.000 0.804 477 E CB 0.110 29.827 29.700 0.029 0.000 0.741 477 E HN 0.480 nan 8.360 nan 0.000 0.458 478 E N -0.985 119.225 120.200 0.016 0.000 2.481 478 E HA -0.017 4.334 4.350 0.001 0.000 0.195 478 E C 1.128 177.728 176.600 -0.001 0.000 1.047 478 E CA 0.652 57.060 56.400 0.013 0.000 0.867 478 E CB 0.586 30.299 29.700 0.021 0.000 0.858 478 E HN 0.499 nan 8.360 nan 0.000 0.513 479 G N 0.988 109.782 108.800 -0.010 0.000 2.159 479 G HA2 -0.317 3.644 3.960 0.001 0.000 0.256 479 G HA3 -0.317 3.644 3.960 0.001 0.000 0.256 479 G C 1.194 176.071 174.900 -0.040 0.000 0.977 479 G CA 0.478 45.564 45.100 -0.023 0.000 0.652 479 G HN 0.257 nan 8.290 nan 0.000 0.531 480 V N -0.003 119.887 119.914 -0.041 0.000 2.343 480 V HA 0.087 4.208 4.120 0.001 0.000 0.247 480 V C 1.598 177.637 176.094 -0.091 0.000 1.051 480 V CA 2.078 64.342 62.300 -0.060 0.000 1.036 480 V CB -0.217 31.572 31.823 -0.056 0.000 0.654 480 V HN 0.450 nan 8.190 nan 0.000 0.451 481 L N 0.214 121.382 121.223 -0.090 0.000 2.346 481 L HA 0.464 4.804 4.340 0.001 0.000 0.274 481 L C -0.215 176.604 176.870 -0.085 0.000 1.007 481 L CA -0.586 54.187 54.840 -0.112 0.000 0.818 481 L CB 1.419 43.403 42.059 -0.126 0.000 1.284 481 L HN 0.024 nan 8.230 nan 0.000 0.424 482 N N 3.493 122.132 118.700 -0.102 0.000 2.401 482 N HA 0.170 4.910 4.740 0.001 0.000 0.255 482 N C -1.849 173.638 175.510 -0.039 0.000 1.110 482 N CA -1.864 51.143 53.050 -0.072 0.000 0.949 482 N CB 1.370 39.799 38.487 -0.097 0.000 1.110 482 N HN 0.263 nan 8.380 nan 0.000 0.490 483 P HA -0.104 nan 4.420 nan 0.000 0.221 483 P C 0.385 177.696 177.300 0.019 0.000 1.145 483 P CA 1.242 64.347 63.100 0.008 0.000 0.795 483 P CB 0.389 32.098 31.700 0.016 0.000 0.775 484 E N -0.958 119.249 120.200 0.012 0.000 2.285 484 E HA -0.045 4.305 4.350 0.001 0.000 0.194 484 E C 0.970 177.592 176.600 0.037 0.000 0.997 484 E CA 1.415 57.830 56.400 0.024 0.000 0.845 484 E CB -0.277 29.434 29.700 0.019 0.000 0.782 484 E HN 0.365 nan 8.360 nan 0.000 0.491 485 T N -2.005 112.564 114.554 0.026 0.000 3.252 485 T HA 0.179 4.530 4.350 0.001 0.000 0.286 485 T C 0.159 174.885 174.700 0.044 0.000 1.013 485 T CA -0.470 61.658 62.100 0.047 0.000 0.914 485 T CB 0.654 69.552 68.868 0.050 0.000 1.131 485 T HN -0.235 nan 8.240 nan 0.000 0.529 486 T N 1.774 116.353 114.554 0.042 0.000 2.848 486 T HA 0.596 4.947 4.350 0.001 0.000 0.285 486 T C -0.689 174.064 174.700 0.088 0.000 0.995 486 T CA -0.489 61.639 62.100 0.045 0.000 0.970 486 T CB 2.043 70.913 68.868 0.003 0.000 0.976 486 T HN 0.093 nan 8.240 nan 0.000 0.441 487 V N 3.913 123.904 119.914 0.128 0.000 2.370 487 V HA 0.423 4.544 4.120 0.001 0.000 0.279 487 V C -0.091 176.086 176.094 0.140 0.000 1.029 487 V CA -0.690 61.701 62.300 0.153 0.000 0.870 487 V CB 1.599 33.561 31.823 0.231 0.000 0.984 487 V HN 0.707 nan 8.190 nan 0.000 0.451 488 V N 4.729 124.743 119.914 0.166 0.000 2.370 488 V HA 0.869 4.989 4.120 0.001 0.000 0.279 488 V C 0.350 176.617 176.094 0.288 0.000 1.029 488 V CA -0.109 62.306 62.300 0.192 0.000 0.870 488 V CB 1.090 33.027 31.823 0.191 0.000 0.984 488 V HN 1.036 nan 8.190 nan 0.000 0.451 489 A N 5.443 128.434 122.820 0.286 0.000 2.566 489 A HA 0.902 5.223 4.320 0.001 0.000 0.292 489 A C -1.139 176.695 177.584 0.417 0.000 1.112 489 A CA -0.653 51.613 52.037 0.382 0.000 0.707 489 A CB 1.482 20.681 19.000 0.332 0.000 1.302 489 A HN 0.684 nan 8.150 nan 0.000 0.409 490 I N 1.280 122.051 120.570 0.335 0.000 2.339 490 I HA 0.300 4.470 4.170 0.001 0.000 0.290 490 I C -0.872 175.283 176.117 0.064 0.000 0.994 490 I CA -0.332 61.050 61.300 0.136 0.000 1.191 490 I CB 1.302 39.351 38.000 0.081 0.000 1.343 490 I HN 0.630 nan 8.210 nan 0.000 0.458 491 F N 10.232 129.883 119.950 -0.498 0.000 2.445 491 F HA 0.408 4.935 4.527 0.001 0.000 0.359 491 F C -1.636 173.853 175.800 -0.517 0.000 1.101 491 F CA -2.531 55.004 58.000 -0.775 0.000 1.177 491 F CB 0.855 39.153 39.000 -1.171 0.000 1.110 491 F HN 0.325 nan 8.300 nan 0.000 0.522 492 P HA -0.055 nan 4.420 nan 0.000 0.241 492 P C 0.369 177.193 177.300 -0.793 0.000 1.191 492 P CA 0.344 63.062 63.100 -0.637 0.000 0.771 492 P CB 0.113 31.643 31.700 -0.283 0.000 0.929 493 S N 1.513 116.422 115.700 -1.319 0.000 2.560 493 S HA 0.201 4.672 4.470 0.001 0.000 0.284 493 S C -2.210 172.033 174.600 -0.595 0.000 1.327 493 S CA -1.042 56.601 58.200 -0.928 0.000 1.055 493 S CB -0.364 62.441 63.200 -0.659 0.000 0.868 493 S HN -0.037 nan 8.310 nan 0.000 0.506 494 P HA 0.072 nan 4.420 nan 0.000 0.267 494 P C -0.651 176.677 177.300 0.047 0.000 1.200 494 P CA -0.080 62.919 63.100 -0.168 0.000 0.772 494 P CB 0.330 31.936 31.700 -0.157 0.000 0.855 495 M N 3.502 123.241 119.600 0.232 0.000 2.188 495 M HA 0.297 4.778 4.480 0.001 0.000 0.357 495 M C 0.540 177.010 176.300 0.283 0.000 1.204 495 M CA 0.542 55.917 55.300 0.125 0.000 1.095 495 M CB 0.703 33.197 32.600 -0.176 0.000 1.604 495 M HN 0.269 nan 8.290 nan 0.000 0.464 496 M N 2.979 122.640 119.600 0.102 0.000 2.514 496 M HA 0.209 4.689 4.480 0.001 0.000 0.258 496 M C -0.683 176.065 176.300 0.747 0.000 1.159 496 M CA 0.261 55.693 55.300 0.220 0.000 1.116 496 M CB 0.329 32.835 32.600 -0.157 0.000 1.333 496 M HN 0.728 nan 8.290 nan 0.000 0.487 497 Y N -0.108 120.499 120.300 0.511 0.000 3.125 497 Y HA -0.247 4.304 4.550 0.001 0.000 0.200 497 Y C 0.691 177.013 175.900 0.703 0.000 1.373 497 Y CA 0.269 58.695 58.100 0.544 0.000 1.180 497 Y CB -2.389 36.356 38.460 0.475 0.000 1.381 497 Y HN 0.349 nan 8.280 nan 0.000 0.501 498 A N -0.313 122.724 122.820 0.363 0.000 2.630 498 A HA 0.611 4.932 4.320 0.001 0.000 0.290 498 A C 1.711 179.051 177.584 -0.407 0.000 1.267 498 A CA 0.625 52.685 52.037 0.039 0.000 0.950 498 A CB -0.508 18.150 19.000 -0.569 0.000 1.144 498 A HN 1.623 nan 8.150 nan 0.000 0.527 499 G N 1.353 109.947 108.800 -0.344 0.000 2.651 499 G HA2 -0.344 3.616 3.960 0.001 0.000 0.315 499 G HA3 -0.344 3.616 3.960 0.001 0.000 0.315 499 G C -0.758 173.881 174.900 -0.435 0.000 1.258 499 G CA 0.595 45.318 45.100 -0.628 0.000 1.002 499 G HN 0.342 nan 8.290 nan 0.000 0.551 500 P HA 0.025 nan 4.420 nan 0.000 0.222 500 P C 1.764 178.940 177.300 -0.207 0.000 1.147 500 P CA 2.387 65.359 63.100 -0.213 0.000 0.790 500 P CB -0.308 31.331 31.700 -0.102 0.000 0.780 501 T N -0.164 114.220 114.554 -0.284 0.000 2.770 501 T HA -0.124 4.226 4.350 0.001 0.000 0.263 501 T C 1.819 176.376 174.700 -0.238 0.000 1.039 501 T CA 1.328 63.276 62.100 -0.255 0.000 1.142 501 T CB -0.465 68.211 68.868 -0.320 0.000 0.868 501 T HN 0.283 nan 8.240 nan 0.000 0.435 502 E N 0.405 120.431 120.200 -0.290 0.000 2.107 502 E HA -0.071 4.280 4.350 0.001 0.000 0.191 502 E C 2.190 178.601 176.600 -0.315 0.000 0.982 502 E CA 0.499 56.728 56.400 -0.285 0.000 0.809 502 E CB -0.140 29.357 29.700 -0.339 0.000 0.756 502 E HN 0.193 nan 8.360 nan 0.000 0.459 503 V N 0.957 120.728 119.914 -0.238 0.000 2.568 503 V HA -0.294 3.827 4.120 0.001 0.000 0.253 503 V C 1.935 177.939 176.094 -0.149 0.000 1.072 503 V CA 2.074 64.292 62.300 -0.137 0.000 1.084 503 V CB -0.253 31.552 31.823 -0.030 0.000 0.676 503 V HN 0.367 nan 8.190 nan 0.000 0.469 504 Q N -1.066 118.658 119.800 -0.126 0.000 2.079 504 Q HA -0.234 4.106 4.340 0.001 0.000 0.200 504 Q C 2.079 178.047 176.000 -0.054 0.000 0.974 504 Q CA 2.141 57.878 55.803 -0.110 0.000 0.840 504 Q CB -0.357 28.338 28.738 -0.072 0.000 0.898 504 Q HN 0.906 nan 8.270 nan 0.000 0.430 505 W N 1.417 122.620 121.300 -0.161 0.000 2.355 505 W HA -0.234 4.427 4.660 0.002 0.000 0.309 505 W C 1.412 177.940 176.519 0.015 0.000 1.206 505 W CA 1.695 59.006 57.345 -0.057 0.000 1.284 505 W CB -0.409 29.023 29.460 -0.046 0.000 1.145 505 W HN 0.331 nan 8.180 nan 0.000 0.502 506 H N -0.577 118.304 119.070 -0.314 0.000 2.352 506 H HA -0.258 4.299 4.556 0.001 0.000 0.299 506 H C 2.646 177.610 175.328 -0.606 0.000 1.097 506 H CA 1.682 57.434 56.048 -0.494 0.000 1.311 506 H CB -0.387 29.264 29.762 -0.186 0.000 1.377 506 H HN 0.169 nan 8.280 nan 0.000 0.504 507 C N 1.639 120.572 119.300 -0.611 0.000 2.489 507 C HA -0.108 4.353 4.460 0.001 0.000 0.279 507 C C 3.014 177.720 174.990 -0.474 0.000 1.266 507 C CA 1.193 59.600 59.018 -1.018 0.000 1.707 507 C CB -0.611 26.512 27.740 -1.028 0.000 2.059 507 C HN 0.625 nan 8.230 nan 0.000 0.481 508 R N 2.199 122.509 120.500 -0.318 0.000 2.105 508 R HA 0.031 4.371 4.340 0.001 0.000 0.239 508 R C 2.024 178.239 176.300 -0.141 0.000 1.135 508 R CA 2.336 58.332 56.100 -0.173 0.000 0.967 508 R CB -1.151 29.119 30.300 -0.050 0.000 0.861 508 R HN 0.443 nan 8.270 nan 0.000 0.442 509 A N 0.902 123.541 122.820 -0.303 0.000 1.902 509 A HA -0.075 4.246 4.320 0.001 0.000 0.217 509 A C 2.162 179.814 177.584 0.113 0.000 1.181 509 A CA 1.571 53.520 52.037 -0.147 0.000 0.623 509 A CB -0.357 18.277 19.000 -0.610 0.000 0.818 509 A HN 0.303 nan 8.150 nan 0.000 0.443 510 R N -1.015 119.454 120.500 -0.052 0.000 2.092 510 R HA 0.011 4.352 4.340 0.001 0.000 0.231 510 R C 2.189 178.551 176.300 0.104 0.000 1.119 510 R CA 1.496 57.664 56.100 0.113 0.000 0.970 510 R CB -0.754 29.630 30.300 0.139 0.000 0.864 510 R HN 0.723 nan 8.270 nan 0.000 0.440 511 M N 0.005 119.617 119.600 0.019 0.000 2.082 511 M HA -0.208 4.272 4.480 0.001 0.000 0.258 511 M C 1.574 177.914 176.300 0.068 0.000 1.069 511 M CA 1.766 57.070 55.300 0.007 0.000 1.102 511 M CB -0.056 32.505 32.600 -0.063 0.000 1.336 511 M HN 0.016 nan 8.290 nan 0.000 0.404 512 V N 0.846 120.824 119.914 0.107 0.000 2.392 512 V HA -0.237 3.883 4.120 0.001 0.000 0.249 512 V C 2.421 178.553 176.094 0.063 0.000 1.059 512 V CA 1.855 64.239 62.300 0.140 0.000 1.051 512 V CB -1.337 30.582 31.823 0.159 0.000 0.658 512 V HN 0.675 nan 8.190 nan 0.000 0.455 513 A N -0.789 122.082 122.820 0.086 0.000 2.235 513 A HA 0.398 4.718 4.320 0.001 0.000 0.208 513 A C 1.881 179.590 177.584 0.209 0.000 1.172 513 A CA 1.014 53.103 52.037 0.087 0.000 0.786 513 A CB -0.492 18.634 19.000 0.211 0.000 0.804 513 A HN 1.198 nan 8.150 nan 0.000 0.479 514 G N -2.162 106.734 108.800 0.160 0.000 2.159 514 G HA2 0.125 4.085 3.960 0.001 0.000 0.227 514 G HA3 0.125 4.085 3.960 0.001 0.000 0.227 514 G C 0.409 175.340 174.900 0.052 0.000 0.986 514 G CA 0.118 45.308 45.100 0.150 0.000 0.651 514 G HN 1.578 nan 8.290 nan 0.000 0.523 515 A N -0.245 122.598 122.820 0.039 0.000 2.511 515 A HA 0.581 4.902 4.320 0.001 0.000 0.242 515 A C 1.005 178.523 177.584 -0.109 0.000 1.069 515 A CA 1.196 53.203 52.037 -0.050 0.000 0.763 515 A CB 0.077 19.099 19.000 0.036 0.000 1.001 515 A HN 0.551 nan 8.150 nan 0.000 0.498 516 N N -0.124 118.456 118.700 -0.200 0.000 2.368 516 N HA 0.259 5.000 4.740 0.001 0.000 0.178 516 N C -0.966 174.038 175.510 -0.842 0.000 1.076 516 N CA 0.456 53.228 53.050 -0.463 0.000 0.889 516 N CB 0.368 38.560 38.487 -0.492 0.000 1.040 516 N HN 0.588 nan 8.380 nan 0.000 0.463 517 F N -0.226 119.671 119.950 -0.087 0.000 2.561 517 F HA 0.335 4.863 4.527 0.001 0.000 0.313 517 F C -1.179 174.643 175.800 0.036 0.000 1.126 517 F CA -1.119 56.856 58.000 -0.043 0.000 0.918 517 F CB 1.367 40.309 39.000 -0.097 0.000 1.199 517 F HN -0.146 nan 8.300 nan 0.000 0.444 518 Y N 4.548 124.899 120.300 0.085 0.000 2.345 518 Y HA 0.633 5.184 4.550 0.001 0.000 0.331 518 Y C -0.509 175.448 175.900 0.094 0.000 0.959 518 Y CA -1.049 57.079 58.100 0.046 0.000 1.204 518 Y CB 0.744 39.191 38.460 -0.022 0.000 1.135 518 Y HN 0.487 nan 8.280 nan 0.000 0.477 519 I N 7.002 127.413 120.570 -0.265 0.000 2.533 519 I HA 0.217 4.388 4.170 0.001 0.000 0.284 519 I C -0.444 175.548 176.117 -0.208 0.000 1.109 519 I CA -0.183 61.082 61.300 -0.057 0.000 1.412 519 I CB 0.620 38.694 38.000 0.123 0.000 1.396 519 I HN 0.383 nan 8.210 nan 0.000 0.543 520 V N 6.262 126.243 119.914 0.110 0.000 2.709 520 V HA 0.853 4.973 4.120 0.001 0.000 0.308 520 V C 0.113 176.338 176.094 0.219 0.000 1.062 520 V CA -0.041 62.332 62.300 0.122 0.000 0.901 520 V CB 1.732 33.680 31.823 0.208 0.000 1.003 520 V HN 0.871 nan 8.190 nan 0.000 0.425 521 G N 5.020 113.930 108.800 0.184 0.000 3.175 521 G HA2 0.477 4.438 3.960 0.001 0.000 0.153 521 G HA3 0.477 4.438 3.960 0.001 0.000 0.153 521 G C -0.567 174.450 174.900 0.195 0.000 1.216 521 G CA -0.841 44.406 45.100 0.244 0.000 0.943 521 G HN 0.811 nan 8.290 nan 0.000 0.611 522 R N 0.024 120.645 120.500 0.202 0.000 2.410 522 R HA 0.333 4.674 4.340 0.001 0.000 0.288 522 R C -0.443 175.956 176.300 0.165 0.000 1.051 522 R CA 0.176 56.380 56.100 0.174 0.000 1.021 522 R CB 0.529 30.934 30.300 0.176 0.000 1.032 522 R HN 0.489 nan 8.270 nan 0.000 0.481 523 D N 2.645 123.135 120.400 0.150 0.000 2.697 523 D HA -0.104 4.537 4.640 0.001 0.000 0.235 523 D C -2.183 174.222 176.300 0.175 0.000 1.167 523 D CA 0.300 54.398 54.000 0.164 0.000 0.656 523 D CB -0.069 40.831 40.800 0.166 0.000 1.025 523 D HN 0.404 nan 8.370 nan 0.000 0.419 524 P HA 0.294 nan 4.420 nan 0.000 0.271 524 P C 0.513 177.898 177.300 0.143 0.000 1.216 524 P CA 0.747 63.933 63.100 0.143 0.000 0.771 524 P CB 1.283 33.058 31.700 0.124 0.000 0.864 525 A N 1.568 124.501 122.820 0.187 0.000 2.847 525 A HA -0.103 4.217 4.320 0.001 0.000 0.263 525 A C 0.847 178.611 177.584 0.299 0.000 1.391 525 A CA 1.099 53.254 52.037 0.196 0.000 0.866 525 A CB -2.287 16.738 19.000 0.042 0.000 1.057 525 A HN 0.849 nan 8.150 nan 0.000 0.673 526 G N -1.652 107.355 108.800 0.345 0.000 2.511 526 G HA2 0.879 4.840 3.960 0.001 0.000 0.316 526 G HA3 0.879 4.840 3.960 0.001 0.000 0.316 526 G C -0.283 174.864 174.900 0.411 0.000 1.210 526 G CA -0.262 45.118 45.100 0.467 0.000 0.969 526 G HN 1.777 nan 8.290 nan 0.000 0.492 527 M N -1.815 117.977 119.600 0.321 0.000 2.732 527 M HA 0.492 4.973 4.480 0.001 0.000 0.272 527 M C -3.209 173.146 176.300 0.090 0.000 1.203 527 M CA -1.800 53.601 55.300 0.169 0.000 0.841 527 M CB 1.753 34.393 32.600 0.066 0.000 1.685 527 M HN 0.175 nan 8.290 nan 0.000 0.492 528 P HA 0.076 nan 4.420 nan 0.000 0.268 528 P C -1.054 176.266 177.300 0.033 0.000 1.205 528 P CA 0.185 63.309 63.100 0.041 0.000 0.771 528 P CB 0.213 31.931 31.700 0.029 0.000 0.858 529 H N 5.359 124.406 119.070 -0.037 0.000 3.070 529 H HA 0.001 4.557 4.556 0.001 0.000 0.313 529 H C -1.452 173.859 175.328 -0.029 0.000 0.997 529 H CA -1.087 54.939 56.048 -0.037 0.000 1.438 529 H CB 0.434 30.169 29.762 -0.046 0.000 1.455 529 H HN 0.263 nan 8.280 nan 0.000 0.575 530 P HA -0.105 nan 4.420 nan 0.000 0.222 530 P C 0.944 178.333 177.300 0.148 0.000 1.147 530 P CA 0.924 64.047 63.100 0.039 0.000 0.790 530 P CB 0.546 32.219 31.700 -0.044 0.000 0.780 531 E N -1.212 119.208 120.200 0.368 0.000 2.140 531 E HA -0.026 4.325 4.350 0.001 0.000 0.191 531 E C 1.818 178.450 176.600 0.054 0.000 0.973 531 E CA 1.663 58.169 56.400 0.178 0.000 0.829 531 E CB -0.916 28.887 29.700 0.171 0.000 0.781 531 E HN 0.381 nan 8.360 nan 0.000 0.466 532 T N -3.870 110.692 114.554 0.014 0.000 2.990 532 T HA 0.321 4.672 4.350 0.001 0.000 0.249 532 T C 1.643 176.334 174.700 -0.015 0.000 1.039 532 T CA 0.786 62.845 62.100 -0.067 0.000 1.036 532 T CB 0.593 69.342 68.868 -0.199 0.000 0.994 532 T HN 0.205 nan 8.240 nan 0.000 0.489 533 G N 1.991 110.812 108.800 0.035 0.000 2.184 533 G HA2 -0.280 3.681 3.960 0.001 0.000 0.264 533 G HA3 -0.280 3.681 3.960 0.001 0.000 0.264 533 G C 0.098 175.010 174.900 0.021 0.000 0.975 533 G CA 0.499 45.617 45.100 0.029 0.000 0.642 533 G HN 0.694 nan 8.290 nan 0.000 0.536 534 K N 0.792 121.198 120.400 0.010 0.000 2.138 534 K HA 0.326 4.647 4.320 0.001 0.000 0.251 534 K C -0.136 176.480 176.600 0.027 0.000 1.015 534 K CA -0.642 55.644 56.287 -0.002 0.000 0.917 534 K CB 0.462 32.942 32.500 -0.034 0.000 1.021 534 K HN 0.105 nan 8.250 nan 0.000 0.485 535 D N 1.979 122.387 120.400 0.014 0.000 2.487 535 D HA -0.088 4.553 4.640 0.001 0.000 0.243 535 D C 1.097 177.399 176.300 0.004 0.000 1.154 535 D CA 0.130 54.146 54.000 0.027 0.000 0.876 535 D CB 0.792 41.609 40.800 0.028 0.000 1.161 535 D HN 0.297 nan 8.370 nan 0.000 0.478 536 L N 4.066 125.264 121.223 -0.042 0.000 2.043 536 L HA -0.158 4.183 4.340 0.001 0.000 0.212 536 L C -0.008 176.588 176.870 -0.456 0.000 1.075 536 L CA 1.820 56.505 54.840 -0.259 0.000 0.752 536 L CB -0.332 41.468 42.059 -0.432 0.000 0.891 536 L HN 0.388 nan 8.230 nan 0.000 0.432 537 Y N -1.124 119.242 120.300 0.109 0.000 2.549 537 Y HA 0.428 4.978 4.550 0.001 0.000 0.339 537 Y C 0.353 176.236 175.900 -0.029 0.000 1.053 537 Y CA -1.334 56.804 58.100 0.063 0.000 1.105 537 Y CB 0.625 39.145 38.460 0.101 0.000 1.258 537 Y HN -0.191 nan 8.280 nan 0.000 0.478 538 E N 3.200 123.381 120.200 -0.032 0.000 2.324 538 E HA 0.109 4.459 4.350 0.001 0.000 0.271 538 E C -2.054 174.473 176.600 -0.122 0.000 1.028 538 E CA -1.697 54.557 56.400 -0.243 0.000 0.890 538 E CB 1.311 30.524 29.700 -0.811 0.000 1.004 538 E HN 0.397 nan 8.360 nan 0.000 0.431 539 P HA -0.083 nan 4.420 nan 0.000 0.226 539 P C 1.011 178.357 177.300 0.077 0.000 1.153 539 P CA 0.872 64.005 63.100 0.054 0.000 0.777 539 P CB 0.283 32.011 31.700 0.047 0.000 0.794 540 S N -2.660 113.077 115.700 0.062 0.000 2.528 540 S HA -0.058 4.413 4.470 0.001 0.000 0.219 540 S C 1.699 176.423 174.600 0.207 0.000 0.985 540 S CA 0.242 58.519 58.200 0.127 0.000 0.914 540 S CB -1.350 61.928 63.200 0.129 0.000 0.776 540 S HN 0.300 nan 8.310 nan 0.000 0.526 541 H N 1.018 120.134 119.070 0.076 0.000 2.389 541 H HA 0.043 4.600 4.556 0.001 0.000 0.299 541 H C 2.517 177.863 175.328 0.031 0.000 1.081 541 H CA 0.582 56.663 56.048 0.054 0.000 1.345 541 H CB -0.341 29.462 29.762 0.067 0.000 1.393 541 H HN 0.582 nan 8.280 nan 0.000 0.520 542 G N 0.708 109.604 108.800 0.160 0.000 2.446 542 G HA2 -0.302 3.659 3.960 0.001 0.000 0.217 542 G HA3 -0.302 3.659 3.960 0.001 0.000 0.217 542 G C 1.885 176.829 174.900 0.075 0.000 1.168 542 G CA 0.871 46.017 45.100 0.077 0.000 0.771 542 G HN 0.459 nan 8.290 nan 0.000 0.551 543 A N 0.420 123.298 122.820 0.098 0.000 1.929 543 A HA 0.110 4.430 4.320 0.001 0.000 0.216 543 A C 2.302 179.921 177.584 0.058 0.000 1.176 543 A CA 1.825 53.913 52.037 0.085 0.000 0.628 543 A CB -0.256 18.802 19.000 0.097 0.000 0.816 543 A HN 0.376 nan 8.150 nan 0.000 0.444 544 K N -0.400 120.039 120.400 0.065 0.000 2.057 544 K HA -0.052 4.269 4.320 0.001 0.000 0.206 544 K C 1.868 178.467 176.600 -0.002 0.000 1.050 544 K CA 1.398 57.705 56.287 0.033 0.000 0.935 544 K CB -0.301 32.224 32.500 0.042 0.000 0.715 544 K HN 0.286 nan 8.250 nan 0.000 0.439 545 V N 1.521 121.429 119.914 -0.009 0.000 2.307 545 V HA -0.229 3.892 4.120 0.001 0.000 0.245 545 V C 2.171 178.247 176.094 -0.029 0.000 1.045 545 V CA 1.415 63.694 62.300 -0.034 0.000 1.024 545 V CB -0.371 31.424 31.823 -0.047 0.000 0.651 545 V HN 0.249 nan 8.190 nan 0.000 0.449 546 L N 0.991 122.204 121.223 -0.017 0.000 2.017 546 L HA -0.171 4.169 4.340 0.001 0.000 0.208 546 L C 2.781 179.637 176.870 -0.022 0.000 1.073 546 L CA 2.804 57.627 54.840 -0.029 0.000 0.745 546 L CB -1.019 41.033 42.059 -0.011 0.000 0.894 546 L HN 0.615 nan 8.230 nan 0.000 0.432 547 T N -2.399 112.153 114.554 -0.004 0.000 2.897 547 T HA -0.257 4.094 4.350 0.001 0.000 0.271 547 T C 1.497 176.186 174.700 -0.019 0.000 1.084 547 T CA 1.631 63.727 62.100 -0.006 0.000 1.123 547 T CB -0.609 68.258 68.868 -0.000 0.000 0.865 547 T HN 0.605 nan 8.240 nan 0.000 0.496 548 M N -0.241 119.345 119.600 -0.023 0.000 2.346 548 M HA 0.678 5.159 4.480 0.001 0.000 0.280 548 M C 0.670 176.951 176.300 -0.032 0.000 1.075 548 M CA -0.665 54.619 55.300 -0.026 0.000 0.989 548 M CB 0.273 32.859 32.600 -0.024 0.000 1.447 548 M HN 0.132 nan 8.290 nan 0.000 0.511 549 A N 3.583 126.380 122.820 -0.038 0.000 2.425 549 A HA 0.602 4.923 4.320 0.001 0.000 0.249 549 A C -2.193 175.365 177.584 -0.043 0.000 1.084 549 A CA -1.088 50.924 52.037 -0.042 0.000 0.781 549 A CB -0.416 18.551 19.000 -0.054 0.000 1.019 549 A HN 0.366 nan 8.150 nan 0.000 0.490 550 P HA 0.369 nan 4.420 nan 0.000 0.274 550 P C 0.681 177.951 177.300 -0.050 0.000 1.246 550 P CA 0.955 64.031 63.100 -0.039 0.000 0.795 550 P CB 0.752 32.436 31.700 -0.027 0.000 1.006 551 G N 0.455 109.219 108.800 -0.061 0.000 2.147 551 G HA2 -0.214 3.747 3.960 0.001 0.000 0.244 551 G HA3 -0.214 3.747 3.960 0.001 0.000 0.244 551 G C 0.001 174.832 174.900 -0.114 0.000 1.005 551 G CA 0.104 45.154 45.100 -0.083 0.000 0.713 551 G HN 0.489 nan 8.290 nan 0.000 0.515 552 L N 0.680 121.839 121.223 -0.106 0.000 2.960 552 L HA 0.396 4.737 4.340 0.001 0.000 0.274 552 L C 1.874 178.677 176.870 -0.112 0.000 1.327 552 L CA -0.362 54.404 54.840 -0.123 0.000 0.860 552 L CB 0.167 42.155 42.059 -0.118 0.000 1.239 552 L HN 0.400 nan 8.230 nan 0.000 0.551 553 I N -3.279 117.224 120.570 -0.112 0.000 3.059 553 I HA -0.012 4.159 4.170 0.001 0.000 0.270 553 I C 1.858 177.922 176.117 -0.089 0.000 1.238 553 I CA 1.074 62.322 61.300 -0.087 0.000 1.478 553 I CB -0.057 37.904 38.000 -0.066 0.000 1.097 553 I HN 0.349 nan 8.210 nan 0.000 0.455 554 T N 0.145 114.640 114.554 -0.099 0.000 3.188 554 T HA 0.448 4.799 4.350 0.001 0.000 0.250 554 T C 0.221 174.837 174.700 -0.140 0.000 1.077 554 T CA -0.330 61.715 62.100 -0.092 0.000 0.967 554 T CB -0.533 68.307 68.868 -0.046 0.000 1.006 554 T HN 0.384 nan 8.240 nan 0.000 0.552 555 L N -2.897 118.231 121.223 -0.159 0.000 2.403 555 L HA 0.812 5.153 4.340 0.001 0.000 0.253 555 L C -1.002 175.744 176.870 -0.206 0.000 1.045 555 L CA -1.536 53.168 54.840 -0.228 0.000 0.845 555 L CB 1.520 43.473 42.059 -0.177 0.000 1.447 555 L HN 0.027 nan 8.230 nan 0.000 0.411 556 E N 0.992 121.025 120.200 -0.277 0.000 2.183 556 E HA 0.552 4.902 4.350 0.001 0.000 0.271 556 E C -1.175 175.438 176.600 0.022 0.000 0.919 556 E CA -0.906 55.418 56.400 -0.127 0.000 0.781 556 E CB 1.403 31.029 29.700 -0.122 0.000 1.140 556 E HN 0.599 nan 8.360 nan 0.000 0.402 557 I N 4.347 124.948 120.570 0.052 0.000 2.395 557 I HA 0.134 4.305 4.170 0.001 0.000 0.289 557 I C -0.150 176.031 176.117 0.108 0.000 1.023 557 I CA -0.579 60.787 61.300 0.111 0.000 1.350 557 I CB 1.083 39.125 38.000 0.069 0.000 1.409 557 I HN 0.310 nan 8.210 nan 0.000 0.507 558 V N 8.626 128.623 119.914 0.139 0.000 2.284 558 V HA 0.293 4.414 4.120 0.001 0.000 0.274 558 V C -2.198 173.886 176.094 -0.018 0.000 1.023 558 V CA -1.395 60.934 62.300 0.049 0.000 0.808 558 V CB 1.126 33.027 31.823 0.131 0.000 1.035 558 V HN 0.610 nan 8.190 nan 0.000 0.445 559 P HA 0.565 nan 4.420 nan 0.000 0.288 559 P C -1.186 175.916 177.300 -0.330 0.000 1.267 559 P CA -0.386 62.665 63.100 -0.082 0.000 0.815 559 P CB 1.346 33.018 31.700 -0.047 0.000 0.989 560 F N 0.860 120.848 119.950 0.063 0.000 2.576 560 F HA 0.475 5.003 4.527 0.001 0.000 0.313 560 F C 1.207 177.060 175.800 0.089 0.000 1.078 560 F CA -0.991 57.042 58.000 0.055 0.000 0.921 560 F CB 2.022 41.120 39.000 0.164 0.000 1.232 560 F HN 0.068 nan 8.300 nan 0.000 0.459 561 R N 0.492 121.137 120.500 0.242 0.000 2.738 561 R HA 0.360 4.701 4.340 0.001 0.000 0.268 561 R C -0.610 175.928 176.300 0.397 0.000 1.062 561 R CA -0.548 55.704 56.100 0.254 0.000 1.158 561 R CB 0.660 31.066 30.300 0.177 0.000 1.046 561 R HN 0.477 nan 8.270 nan 0.000 0.493 562 V N 1.491 121.601 119.914 0.328 0.000 2.740 562 V HA 0.311 4.432 4.120 0.001 0.000 0.303 562 V C -0.198 176.059 176.094 0.272 0.000 1.054 562 V CA 0.064 62.545 62.300 0.300 0.000 1.106 562 V CB 0.877 32.862 31.823 0.270 0.000 0.957 562 V HN 0.840 nan 8.190 nan 0.000 0.486 563 A N 5.803 128.706 122.820 0.138 0.000 2.305 563 A HA 0.943 5.264 4.320 0.001 0.000 0.322 563 A C -0.057 177.460 177.584 -0.112 0.000 1.187 563 A CA 0.108 52.106 52.037 -0.065 0.000 0.825 563 A CB 1.321 20.204 19.000 -0.194 0.000 1.164 563 A HN 1.861 nan 8.150 nan 0.000 0.498 564 A N 0.874 123.588 122.820 -0.178 0.000 2.564 564 A HA 0.641 4.962 4.320 0.001 0.000 0.288 564 A C -1.383 176.208 177.584 0.011 0.000 1.164 564 A CA -0.548 51.330 52.037 -0.265 0.000 0.712 564 A CB 0.498 18.952 19.000 -0.909 0.000 1.303 564 A HN 1.281 nan 8.150 nan 0.000 0.418 565 Y N 2.017 122.260 120.300 -0.094 0.000 2.402 565 Y HA 0.342 4.893 4.550 0.001 0.000 0.333 565 Y C 0.337 176.223 175.900 -0.023 0.000 1.076 565 Y CA -0.174 57.908 58.100 -0.030 0.000 1.299 565 Y CB 0.584 39.010 38.460 -0.058 0.000 1.197 565 Y HN 0.632 nan 8.280 nan 0.000 0.517 566 N N 6.095 124.400 118.700 -0.658 0.000 2.485 566 N HA 0.106 4.847 4.740 0.001 0.000 0.243 566 N C 0.364 175.359 175.510 -0.859 0.000 0.987 566 N CA -0.068 52.551 53.050 -0.719 0.000 0.940 566 N CB 0.940 39.112 38.487 -0.526 0.000 1.122 566 N HN 0.823 nan 8.380 nan 0.000 0.509 567 K N 2.577 122.631 120.400 -0.577 0.000 2.063 567 K HA -0.202 4.119 4.320 0.001 0.000 0.208 567 K C 1.593 178.032 176.600 -0.268 0.000 1.048 567 K CA 1.502 57.603 56.287 -0.310 0.000 0.928 567 K CB 0.199 32.611 32.500 -0.146 0.000 0.713 567 K HN 0.468 nan 8.250 nan 0.000 0.442 568 K N 1.435 121.660 120.400 -0.291 0.000 2.002 568 K HA -0.145 4.176 4.320 0.001 0.000 0.209 568 K C 1.466 177.951 176.600 -0.192 0.000 1.048 568 K CA 1.604 57.765 56.287 -0.210 0.000 0.930 568 K CB 0.161 32.540 32.500 -0.202 0.000 0.714 568 K HN -0.018 nan 8.250 nan 0.000 0.438 569 K N 0.151 120.404 120.400 -0.245 0.000 2.418 569 K HA 0.024 4.344 4.320 0.001 0.000 0.195 569 K C -0.012 176.474 176.600 -0.190 0.000 1.035 569 K CA 0.237 56.413 56.287 -0.185 0.000 1.003 569 K CB 0.348 32.747 32.500 -0.168 0.000 0.793 569 K HN -0.017 nan 8.250 nan 0.000 0.494 570 K N 1.007 121.235 120.400 -0.288 0.000 3.096 570 K HA -0.203 4.118 4.320 0.001 0.000 0.266 570 K C -0.802 175.724 176.600 -0.124 0.000 1.043 570 K CA 0.839 57.015 56.287 -0.186 0.000 0.758 570 K CB -1.173 31.320 32.500 -0.011 0.000 1.260 570 K HN 0.596 nan 8.250 nan 0.000 0.481 571 R N -2.333 117.966 120.500 -0.336 0.000 2.728 571 R HA 0.500 4.841 4.340 0.001 0.000 0.274 571 R C -0.833 175.367 176.300 -0.166 0.000 1.030 571 R CA -1.300 54.733 56.100 -0.113 0.000 0.876 571 R CB 0.544 30.802 30.300 -0.070 0.000 1.259 571 R HN -0.105 nan 8.270 nan 0.000 0.468 572 M N 1.463 121.047 119.600 -0.026 0.000 2.238 572 M HA 0.326 4.807 4.480 0.001 0.000 0.347 572 M C -0.617 175.608 176.300 -0.124 0.000 1.173 572 M CA 0.399 55.669 55.300 -0.051 0.000 1.147 572 M CB 0.182 32.737 32.600 -0.074 0.000 1.547 572 M HN 0.743 nan 8.290 nan 0.000 0.455 573 D N 0.813 121.151 120.400 -0.104 0.000 2.622 573 D HA 0.337 4.978 4.640 0.001 0.000 0.255 573 D C -1.575 174.635 176.300 -0.150 0.000 1.246 573 D CA -0.394 53.526 54.000 -0.133 0.000 0.795 573 D CB 0.963 41.796 40.800 0.054 0.000 1.369 573 D HN 0.384 nan 8.370 nan 0.000 0.425 574 Y N 1.243 121.601 120.300 0.096 0.000 2.620 574 Y HA 0.111 4.661 4.550 0.001 0.000 0.330 574 Y C 0.361 176.202 175.900 -0.097 0.000 1.186 574 Y CA -0.036 58.092 58.100 0.046 0.000 1.467 574 Y CB 0.223 38.728 38.460 0.076 0.000 1.262 574 Y HN 0.270 nan 8.280 nan 0.000 0.550 575 Y N 3.648 123.792 120.300 -0.261 0.000 2.578 575 Y HA 0.093 4.644 4.550 0.001 0.000 0.339 575 Y C -0.226 175.496 175.900 -0.296 0.000 1.231 575 Y CA -0.319 57.337 58.100 -0.740 0.000 1.461 575 Y CB 0.481 38.737 38.460 -0.340 0.000 1.323 575 Y HN 0.587 nan 8.280 nan 0.000 0.590 576 D N 3.173 122.910 120.400 -1.105 0.000 2.788 576 D HA 0.180 4.821 4.640 0.001 0.000 0.247 576 D C 0.315 176.213 176.300 -0.671 0.000 1.236 576 D CA -0.249 53.399 54.000 -0.586 0.000 0.898 576 D CB 2.276 42.983 40.800 -0.155 0.000 1.401 576 D HN 0.675 nan 8.370 nan 0.000 0.549 577 S N 2.379 117.796 115.700 -0.473 0.000 2.359 577 S HA -0.175 4.296 4.470 0.001 0.000 0.223 577 S C 0.255 174.863 174.600 0.014 0.000 1.039 577 S CA 1.273 59.365 58.200 -0.180 0.000 1.042 577 S CB -0.048 63.119 63.200 -0.055 0.000 0.915 577 S HN 0.490 nan 8.310 nan 0.000 0.439 578 E N 0.271 120.487 120.200 0.027 0.000 2.257 578 E HA 0.296 4.647 4.350 0.001 0.000 0.278 578 E C -0.152 176.686 176.600 0.397 0.000 1.049 578 E CA 0.053 56.569 56.400 0.194 0.000 0.876 578 E CB 0.392 30.181 29.700 0.149 0.000 1.035 578 E HN 0.361 nan 8.360 nan 0.000 0.419 579 H N -0.142 119.001 119.070 0.122 0.000 3.285 579 H HA -0.151 4.406 4.556 0.001 0.000 0.193 579 H C 0.770 176.283 175.328 0.307 0.000 1.046 579 H CA 0.708 56.844 56.048 0.146 0.000 1.156 579 H CB -2.339 27.492 29.762 0.115 0.000 1.096 579 H HN 0.785 nan 8.280 nan 0.000 0.331 580 H N 1.732 121.021 119.070 0.365 0.000 2.368 580 H HA -0.184 4.373 4.556 0.001 0.000 0.292 580 H C 1.561 177.156 175.328 0.445 0.000 1.117 580 H CA 2.728 59.074 56.048 0.497 0.000 1.231 580 H CB 0.338 30.318 29.762 0.362 0.000 1.359 580 H HN 0.622 nan 8.280 nan 0.000 0.490 581 E N -0.243 120.038 120.200 0.134 0.000 2.347 581 E HA -0.048 4.303 4.350 0.001 0.000 0.196 581 E C 1.284 177.843 176.600 -0.069 0.000 1.008 581 E CA 1.048 57.435 56.400 -0.021 0.000 0.852 581 E CB 0.020 29.730 29.700 0.016 0.000 0.783 581 E HN 0.633 nan 8.360 nan 0.000 0.505 582 D N -0.416 119.913 120.400 -0.117 0.000 2.363 582 D HA -0.011 4.630 4.640 0.001 0.000 0.226 582 D C -0.617 175.359 176.300 -0.540 0.000 1.020 582 D CA 0.525 54.307 54.000 -0.363 0.000 0.892 582 D CB -0.025 40.454 40.800 -0.535 0.000 0.900 582 D HN 0.107 nan 8.370 nan 0.000 0.531 583 F N 0.711 120.643 119.950 -0.031 0.000 2.467 583 F HA 0.292 4.820 4.527 0.001 0.000 0.336 583 F C 0.483 176.224 175.800 -0.097 0.000 1.123 583 F CA -1.107 56.844 58.000 -0.082 0.000 0.964 583 F CB 1.569 40.575 39.000 0.011 0.000 1.136 583 F HN -0.337 nan 8.300 nan 0.000 0.447 584 E N 4.138 124.367 120.200 0.048 0.000 2.092 584 E HA 0.324 4.675 4.350 0.001 0.000 0.271 584 E C -1.364 175.195 176.600 -0.070 0.000 0.919 584 E CA -0.567 55.858 56.400 0.041 0.000 0.760 584 E CB 0.716 30.455 29.700 0.065 0.000 1.106 584 E HN 0.399 nan 8.360 nan 0.000 0.408 585 F N 4.606 124.575 119.950 0.033 0.000 2.438 585 F HA 0.317 4.845 4.527 0.001 0.000 0.356 585 F C 0.429 176.191 175.800 -0.065 0.000 1.099 585 F CA -0.242 57.758 58.000 0.000 0.000 1.185 585 F CB 0.713 39.708 39.000 -0.008 0.000 1.115 585 F HN 0.363 nan 8.300 nan 0.000 0.526 586 I N 3.725 124.319 120.570 0.039 0.000 2.466 586 I HA 0.182 4.353 4.170 0.001 0.000 0.279 586 I C -0.080 176.083 176.117 0.076 0.000 1.033 586 I CA -0.478 60.747 61.300 -0.125 0.000 1.123 586 I CB 1.084 38.689 38.000 -0.658 0.000 1.237 586 I HN 0.591 nan 8.210 nan 0.000 0.460 587 S N 3.551 119.320 115.700 0.115 0.000 2.655 587 S HA 0.352 4.823 4.470 0.001 0.000 0.265 587 S C 1.428 176.147 174.600 0.199 0.000 1.240 587 S CA 0.010 58.317 58.200 0.179 0.000 0.986 587 S CB 1.456 64.733 63.200 0.128 0.000 0.985 587 S HN 0.698 nan 8.310 nan 0.000 0.562 588 G N 0.269 109.205 108.800 0.227 0.000 2.422 588 G HA2 -0.129 3.832 3.960 0.001 0.000 0.218 588 G HA3 -0.129 3.832 3.960 0.001 0.000 0.218 588 G C 1.238 176.238 174.900 0.167 0.000 1.146 588 G CA 1.204 46.451 45.100 0.245 0.000 0.769 588 G HN 0.745 nan 8.290 nan 0.000 0.547 589 T N 0.587 115.205 114.554 0.107 0.000 2.720 589 T HA -0.143 4.207 4.350 0.001 0.000 0.268 589 T C 2.406 177.110 174.700 0.006 0.000 1.037 589 T CA 1.581 63.708 62.100 0.046 0.000 1.144 589 T CB -0.105 68.783 68.868 0.034 0.000 0.864 589 T HN 0.329 nan 8.240 nan 0.000 0.444 590 R N 0.979 121.491 120.500 0.020 0.000 2.090 590 R HA 0.173 4.513 4.340 0.001 0.000 0.228 590 R C 2.321 178.606 176.300 -0.024 0.000 1.110 590 R CA 1.339 57.427 56.100 -0.019 0.000 0.973 590 R CB -0.600 29.681 30.300 -0.032 0.000 0.869 590 R HN 0.380 nan 8.270 nan 0.000 0.440 591 M N -0.192 119.443 119.600 0.059 0.000 2.080 591 M HA -0.176 4.304 4.480 0.001 0.000 0.260 591 M C 2.452 178.708 176.300 -0.073 0.000 1.068 591 M CA 2.115 57.529 55.300 0.189 0.000 1.109 591 M CB -0.318 32.565 32.600 0.472 0.000 1.342 591 M HN 0.166 nan 8.290 nan 0.000 0.405 592 R N 0.681 120.961 120.500 -0.366 0.000 2.096 592 R HA -0.134 4.207 4.340 0.001 0.000 0.235 592 R C 2.039 178.088 176.300 -0.417 0.000 1.127 592 R CA 1.371 56.965 56.100 -0.843 0.000 0.968 592 R CB 0.020 30.039 30.300 -0.468 0.000 0.861 592 R HN 0.295 nan 8.270 nan 0.000 0.440 593 K N 0.496 120.776 120.400 -0.200 0.000 2.026 593 K HA -0.149 4.172 4.320 0.001 0.000 0.208 593 K C 2.227 178.777 176.600 -0.084 0.000 1.048 593 K CA 1.470 57.687 56.287 -0.116 0.000 0.929 593 K CB -0.313 32.142 32.500 -0.074 0.000 0.713 593 K HN 0.225 nan 8.250 nan 0.000 0.439 594 L N 0.903 122.093 121.223 -0.054 0.000 1.989 594 L HA -0.235 4.106 4.340 0.001 0.000 0.211 594 L C 2.726 179.644 176.870 0.079 0.000 1.071 594 L CA 1.466 56.304 54.840 -0.003 0.000 0.749 594 L CB -0.769 41.273 42.059 -0.028 0.000 0.890 594 L HN 0.203 nan 8.230 nan 0.000 0.431 595 A N 0.877 123.776 122.820 0.132 0.000 1.908 595 A HA -0.239 4.081 4.320 0.001 0.000 0.218 595 A C 2.304 179.894 177.584 0.011 0.000 1.181 595 A CA 2.020 54.137 52.037 0.134 0.000 0.627 595 A CB -0.622 18.362 19.000 -0.028 0.000 0.818 595 A HN 0.520 nan 8.150 nan 0.000 0.445 596 R N 0.652 121.110 120.500 -0.070 0.000 2.237 596 R HA -0.092 4.248 4.340 0.001 0.000 0.219 596 R C 1.223 177.515 176.300 -0.014 0.000 1.080 596 R CA 1.318 57.390 56.100 -0.047 0.000 0.995 596 R CB -0.425 29.838 30.300 -0.062 0.000 0.875 596 R HN 0.828 nan 8.270 nan 0.000 0.462 597 E N 0.491 120.688 120.200 -0.005 0.000 2.465 597 E HA 0.170 4.521 4.350 0.001 0.000 0.195 597 E C 0.502 177.114 176.600 0.019 0.000 1.028 597 E CA 0.143 56.544 56.400 0.002 0.000 0.899 597 E CB 0.582 30.276 29.700 -0.011 0.000 1.032 597 E HN 0.341 nan 8.360 nan 0.000 0.468 598 G N 1.414 110.241 108.800 0.044 0.000 2.155 598 G HA2 -0.324 3.636 3.960 0.001 0.000 0.257 598 G HA3 -0.324 3.636 3.960 0.001 0.000 0.257 598 G C 0.013 174.961 174.900 0.080 0.000 0.983 598 G CA 0.543 45.683 45.100 0.067 0.000 0.676 598 G HN 0.399 nan 8.290 nan 0.000 0.528 599 Q N -0.536 119.307 119.800 0.071 0.000 2.180 599 Q HA 0.688 5.029 4.340 0.001 0.000 0.241 599 Q C 0.096 176.117 176.000 0.035 0.000 0.970 599 Q CA -0.479 55.337 55.803 0.022 0.000 0.919 599 Q CB 1.230 29.943 28.738 -0.041 0.000 1.222 599 Q HN 0.321 nan 8.270 nan 0.000 0.482 600 K N 0.936 121.230 120.400 -0.176 0.000 2.328 600 K HA 0.522 4.843 4.320 0.001 0.000 0.246 600 K C -2.517 173.689 176.600 -0.657 0.000 0.955 600 K CA -1.959 53.982 56.287 -0.577 0.000 0.817 600 K CB 1.393 33.628 32.500 -0.442 0.000 1.208 600 K HN 0.351 nan 8.250 nan 0.000 0.432 601 P HA 0.144 nan 4.420 nan 0.000 0.273 601 P C -2.537 174.441 177.300 -0.536 0.000 1.250 601 P CA -1.090 61.590 63.100 -0.701 0.000 0.793 601 P CB -0.466 30.792 31.700 -0.737 0.000 1.011 602 P HA 0.007 nan 4.420 nan 0.000 0.268 602 P C -0.137 176.930 177.300 -0.387 0.000 1.208 602 P CA 0.111 62.885 63.100 -0.544 0.000 0.777 602 P CB 0.140 31.182 31.700 -1.096 0.000 0.875 603 E N 1.195 121.279 120.200 -0.193 0.000 2.417 603 E HA 0.190 4.541 4.350 0.001 0.000 0.261 603 E C 0.961 177.583 176.600 0.035 0.000 1.000 603 E CA 0.741 57.104 56.400 -0.062 0.000 0.919 603 E CB -0.596 29.096 29.700 -0.014 0.000 0.955 603 E HN 0.751 nan 8.360 nan 0.000 0.455 604 G N 4.111 112.945 108.800 0.056 0.000 2.232 604 G HA2 -0.333 3.628 3.960 0.001 0.000 0.226 604 G HA3 -0.333 3.628 3.960 0.001 0.000 0.226 604 G C 0.394 175.372 174.900 0.130 0.000 0.996 604 G CA 0.171 45.346 45.100 0.124 0.000 0.626 604 G HN 0.638 nan 8.290 nan 0.000 0.509 605 F N 0.982 120.875 119.950 -0.096 0.000 2.163 605 F HA 0.611 5.139 4.527 0.001 0.000 0.297 605 F C 1.092 176.882 175.800 -0.016 0.000 1.094 605 F CA 1.875 59.804 58.000 -0.119 0.000 1.290 605 F CB 0.130 38.949 39.000 -0.301 0.000 1.017 605 F HN 0.228 nan 8.300 nan 0.000 0.483 606 M N 0.001 119.585 119.600 -0.027 0.000 2.421 606 M HA 0.541 5.022 4.480 0.001 0.000 0.287 606 M C -1.031 175.312 176.300 0.073 0.000 1.183 606 M CA -0.891 54.395 55.300 -0.022 0.000 0.916 606 M CB 1.913 34.603 32.600 0.150 0.000 1.701 606 M HN -0.044 nan 8.290 nan 0.000 0.470 607 A N 5.318 128.175 122.820 0.062 0.000 2.546 607 A HA 0.298 4.618 4.320 0.001 0.000 0.243 607 A C -2.271 175.397 177.584 0.140 0.000 1.063 607 A CA -0.801 51.281 52.037 0.075 0.000 0.757 607 A CB -0.663 18.368 19.000 0.052 0.000 0.991 607 A HN 0.726 nan 8.150 nan 0.000 0.503 608 P HA -0.203 nan 4.420 nan 0.000 0.216 608 P C 1.265 178.681 177.300 0.194 0.000 1.157 608 P CA 1.718 64.924 63.100 0.176 0.000 0.880 608 P CB 0.103 31.871 31.700 0.113 0.000 0.791 609 K N -0.902 119.575 120.400 0.127 0.000 2.152 609 K HA -0.092 4.229 4.320 0.001 0.000 0.206 609 K C 2.051 178.715 176.600 0.108 0.000 1.048 609 K CA 1.486 57.835 56.287 0.103 0.000 0.933 609 K CB -0.511 32.031 32.500 0.071 0.000 0.721 609 K HN 0.086 nan 8.250 nan 0.000 0.447 610 A N 1.126 124.024 122.820 0.131 0.000 1.930 610 A HA -0.149 4.172 4.320 0.001 0.000 0.215 610 A C 1.856 179.536 177.584 0.160 0.000 1.176 610 A CA 0.576 52.689 52.037 0.126 0.000 0.632 610 A CB -0.777 18.300 19.000 0.128 0.000 0.819 610 A HN 0.587 nan 8.150 nan 0.000 0.445 611 W N 1.349 122.701 121.300 0.088 0.000 2.338 611 W HA -0.184 4.477 4.660 0.001 0.000 0.304 611 W C 1.651 178.229 176.519 0.098 0.000 1.212 611 W CA 2.211 59.625 57.345 0.114 0.000 1.264 611 W CB -0.610 28.921 29.460 0.117 0.000 1.142 611 W HN 0.355 nan 8.180 nan 0.000 0.512 612 T N 1.369 115.912 114.554 -0.017 0.000 2.720 612 T HA -0.214 4.136 4.350 0.001 0.000 0.268 612 T C 1.843 176.459 174.700 -0.140 0.000 1.037 612 T CA 2.005 64.048 62.100 -0.095 0.000 1.144 612 T CB -0.731 68.159 68.868 0.036 0.000 0.864 612 T HN 0.002 nan 8.240 nan 0.000 0.444 613 V N 1.561 121.437 119.914 -0.063 0.000 2.287 613 V HA -0.148 3.973 4.120 0.001 0.000 0.248 613 V C 2.492 178.491 176.094 -0.158 0.000 1.053 613 V CA 1.520 63.816 62.300 -0.007 0.000 1.027 613 V CB -0.684 31.178 31.823 0.065 0.000 0.646 613 V HN 0.470 nan 8.190 nan 0.000 0.447 614 L N 0.567 121.601 121.223 -0.314 0.000 2.079 614 L HA -0.189 4.151 4.340 0.001 0.000 0.210 614 L C 2.814 179.301 176.870 -0.639 0.000 1.081 614 L CA 2.108 56.623 54.840 -0.541 0.000 0.752 614 L CB -1.250 40.511 42.059 -0.498 0.000 0.896 614 L HN 0.619 nan 8.230 nan 0.000 0.433 615 T N -3.289 110.910 114.554 -0.591 0.000 2.833 615 T HA -0.191 4.159 4.350 0.001 0.000 0.269 615 T C 1.545 176.084 174.700 -0.268 0.000 1.054 615 T CA 1.239 63.131 62.100 -0.347 0.000 1.135 615 T CB -0.258 68.436 68.868 -0.290 0.000 0.869 615 T HN 0.419 nan 8.240 nan 0.000 0.466 616 E N 0.054 120.086 120.200 -0.279 0.000 2.072 616 E HA -0.074 4.277 4.350 0.001 0.000 0.191 616 E C 1.866 178.120 176.600 -0.577 0.000 0.985 616 E CA 1.199 57.461 56.400 -0.230 0.000 0.801 616 E CB -0.331 29.387 29.700 0.031 0.000 0.750 616 E HN 0.771 nan 8.360 nan 0.000 0.452 617 Y N 0.436 120.008 120.300 -1.213 0.000 2.114 617 Y HA -0.316 4.235 4.550 0.001 0.000 0.284 617 Y C 1.941 177.307 175.900 -0.889 0.000 1.143 617 Y CA 1.642 58.689 58.100 -1.755 0.000 1.135 617 Y CB -0.347 37.035 38.460 -1.797 0.000 0.980 617 Y HN 0.018 nan 8.280 nan 0.000 0.499 618 Y N 0.743 120.535 120.300 -0.846 0.000 2.207 618 Y HA -0.270 4.281 4.550 0.001 0.000 0.287 618 Y C 2.679 178.303 175.900 -0.460 0.000 1.156 618 Y CA 1.545 59.231 58.100 -0.690 0.000 1.182 618 Y CB -0.264 37.955 38.460 -0.402 0.000 0.979 618 Y HN 0.129 nan 8.280 nan 0.000 0.521 619 K N 0.629 120.889 120.400 -0.234 0.000 2.026 619 K HA -0.200 4.121 4.320 0.001 0.000 0.208 619 K C 2.394 178.893 176.600 -0.168 0.000 1.048 619 K CA 1.647 57.838 56.287 -0.160 0.000 0.929 619 K CB -0.265 32.162 32.500 -0.123 0.000 0.713 619 K HN 0.321 nan 8.250 nan 0.000 0.439 620 S N 0.980 116.547 115.700 -0.222 0.000 2.382 620 S HA -0.159 4.311 4.470 0.001 0.000 0.228 620 S C 2.110 176.623 174.600 -0.144 0.000 1.027 620 S CA 0.984 59.113 58.200 -0.119 0.000 0.991 620 S CB -0.577 62.622 63.200 -0.001 0.000 0.823 620 S HN 0.356 nan 8.310 nan 0.000 0.469 621 L N 1.042 122.079 121.223 -0.310 0.000 2.017 621 L HA -0.117 4.224 4.340 0.001 0.000 0.208 621 L C 3.089 179.897 176.870 -0.105 0.000 1.073 621 L CA 2.118 56.815 54.840 -0.239 0.000 0.745 621 L CB -0.615 41.207 42.059 -0.396 0.000 0.894 621 L HN 0.409 nan 8.230 nan 0.000 0.432 622 E N 0.723 120.868 120.200 -0.092 0.000 2.070 622 E HA -0.266 4.085 4.350 0.001 0.000 0.197 622 E C 2.067 178.731 176.600 0.106 0.000 1.004 622 E CA 1.726 58.136 56.400 0.017 0.000 0.805 622 E CB -0.014 29.694 29.700 0.013 0.000 0.744 622 E HN 0.250 nan 8.360 nan 0.000 0.451 623 K N 0.120 120.539 120.400 0.032 0.000 2.097 623 K HA -0.006 4.315 4.320 0.001 0.000 0.206 623 K C 1.123 177.775 176.600 0.088 0.000 1.049 623 K CA 0.716 57.045 56.287 0.070 0.000 0.933 623 K CB -0.256 32.244 32.500 0.000 0.000 0.717 623 K HN 0.207 nan 8.250 nan 0.000 0.442 629 H N 0.650 119.772 119.070 0.087 0.000 2.497 629 H HA 0.113 4.670 4.556 0.001 0.000 0.282 629 H C 0.230 175.384 175.328 -0.290 0.000 1.003 629 H CA 0.961 56.960 56.048 -0.081 0.000 1.307 629 H CB 1.114 30.860 29.762 -0.027 0.000 1.437 629 H HN 0.481 nan 8.280 nan 0.000 0.544 630 H N 0.000 119.176 119.070 0.176 0.000 2.539 630 H HA 0.000 4.557 4.556 0.001 0.000 0.296 630 H CA 0.000 56.108 56.048 0.101 0.000 1.023 630 H CB 0.000 29.812 29.762 0.084 0.000 1.292 630 H HN 0.000 nan 8.280 nan 0.000 0.496