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 2p6e_1_A DATA FIRST_RESID 5 DATA SEQUENCE DKAKKLENLL KLLQLNNDDT SKFXXXXXXX XXDHKFWRTQ PVKDFDEKVV DATA SEQUENCE EEGPIDKPKT PEDISDKPLP LLSSFEWCSI DVDNKKQLED VFVLLNENYV DATA SEQUENCE EDRDAGFRFN YTKEFFNWAL KSPGWKKDWH IGVRVKETQK LVAFISAIPV DATA SEQUENCE TLGVRGKQVP SVEINFLCVH KQLRSKRLTP VLIKEITRRV NKCDIWHALY DATA SEQUENCE TAGIVLPAPV STCRYTHRPL NWKKLYEVDF TGLPDGHTEE DMIAENALPA DATA SEQUENCE KTKTAGLRKL KKEDIDQVFE LFKRYQSRFE LIQIFTKEEF EHNFIGEESL DATA SEQUENCE PLDKQVIFSY VVEQPDGKIT DFFSFYSLPF TILNNTKYKD LGIGYLYYYA DATA SEQUENCE TDADFQFKDR FDPKATKALK TRLCELIYDA CILAKNANMD VFNALTSQDN DATA SEQUENCE TLFLDDLKFG PGDGFLNFYL FNYRAKPITG GLNPDNSNDI KRRSNVGVVM DATA SEQUENCE L 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.307 176.300 0.012 0.000 2.045 5 D CA 0.000 54.013 54.000 0.022 0.000 0.868 5 D CB 0.000 40.813 40.800 0.021 0.000 0.688 6 K N 0.929 121.339 120.400 0.018 0.000 2.379 6 K HA 0.437 4.757 4.320 -0.000 0.000 0.194 6 K C 1.618 178.232 176.600 0.023 0.000 1.031 6 K CA 0.821 57.115 56.287 0.012 0.000 1.037 6 K CB 0.394 32.904 32.500 0.016 0.000 0.824 6 K HN 0.248 nan 8.250 nan 0.000 0.516 7 A N 1.961 124.811 122.820 0.050 0.000 1.872 7 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 7 A C 2.080 179.651 177.584 -0.021 0.000 1.187 7 A CA 1.297 53.400 52.037 0.110 0.000 0.614 7 A CB -0.200 18.896 19.000 0.159 0.000 0.826 7 A HN 0.188 nan 8.150 nan 0.000 0.442 8 K N -0.344 120.036 120.400 -0.033 0.000 2.097 8 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 8 K C 2.153 178.676 176.600 -0.129 0.000 1.050 8 K CA 1.379 57.612 56.287 -0.090 0.000 0.938 8 K CB -0.097 32.394 32.500 -0.014 0.000 0.718 8 K HN 0.440 nan 8.250 nan 0.000 0.442 9 K N 1.174 121.524 120.400 -0.083 0.000 1.991 9 K HA -0.117 4.203 4.320 -0.000 0.000 0.212 9 K C 1.952 178.479 176.600 -0.121 0.000 1.049 9 K CA 1.287 57.527 56.287 -0.078 0.000 0.932 9 K CB -0.057 32.417 32.500 -0.043 0.000 0.717 9 K HN 0.045 nan 8.250 nan 0.000 0.441 10 L N 0.512 121.655 121.223 -0.133 0.000 2.291 10 L HA -0.120 4.220 4.340 -0.000 0.000 0.214 10 L C 2.506 179.172 176.870 -0.340 0.000 1.120 10 L CA 0.918 55.665 54.840 -0.156 0.000 0.799 10 L CB -0.261 41.767 42.059 -0.052 0.000 0.925 10 L HN 0.395 nan 8.230 nan 0.000 0.446 11 E N 0.309 120.146 120.200 -0.604 0.000 2.072 11 E HA -0.197 4.152 4.350 -0.000 0.000 0.190 11 E C 1.810 178.165 176.600 -0.407 0.000 0.982 11 E CA 0.882 56.743 56.400 -0.899 0.000 0.803 11 E CB 0.171 29.165 29.700 -1.176 0.000 0.755 11 E HN 0.459 nan 8.360 nan 0.000 0.453 12 N N 0.821 119.366 118.700 -0.259 0.000 2.149 12 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 12 N C 1.817 177.250 175.510 -0.129 0.000 1.019 12 N CA 0.701 53.662 53.050 -0.148 0.000 0.857 12 N CB -0.269 38.158 38.487 -0.099 0.000 0.997 12 N HN 0.179 nan 8.380 nan 0.000 0.426 13 L N 0.849 121.990 121.223 -0.137 0.000 2.093 13 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 13 L C 2.090 178.891 176.870 -0.115 0.000 1.085 13 L CA 0.979 55.756 54.840 -0.106 0.000 0.755 13 L CB -0.992 41.012 42.059 -0.093 0.000 0.904 13 L HN 0.100 nan 8.230 nan 0.000 0.435 14 L N -0.608 120.528 121.223 -0.146 0.000 2.056 14 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 14 L C 2.444 179.237 176.870 -0.128 0.000 1.078 14 L CA 1.723 56.486 54.840 -0.129 0.000 0.749 14 L CB -0.604 41.382 42.059 -0.122 0.000 0.901 14 L HN 0.206 nan 8.230 nan 0.000 0.433 15 K N -0.986 119.342 120.400 -0.120 0.000 2.097 15 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 15 K C 2.027 178.580 176.600 -0.080 0.000 1.050 15 K CA 1.279 57.516 56.287 -0.083 0.000 0.938 15 K CB -0.202 32.258 32.500 -0.066 0.000 0.718 15 K HN 0.320 nan 8.250 nan 0.000 0.442 16 L N 0.690 121.864 121.223 -0.082 0.000 2.093 16 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 16 L C 2.414 179.236 176.870 -0.080 0.000 1.085 16 L CA 0.498 55.300 54.840 -0.062 0.000 0.755 16 L CB -0.388 41.639 42.059 -0.053 0.000 0.904 16 L HN 0.181 nan 8.230 nan 0.000 0.435 17 L N -0.222 120.927 121.223 -0.123 0.000 2.127 17 L HA -0.250 4.090 4.340 -0.000 0.000 0.211 17 L C 2.096 178.781 176.870 -0.309 0.000 1.089 17 L CA 1.803 56.538 54.840 -0.176 0.000 0.757 17 L CB -0.160 41.782 42.059 -0.195 0.000 0.899 17 L HN 0.290 nan 8.230 nan 0.000 0.434 18 Q N -0.732 118.861 119.800 -0.345 0.000 2.219 18 Q HA 0.184 4.524 4.340 -0.000 0.000 0.209 18 Q C -0.065 175.941 176.000 0.011 0.000 0.854 18 Q CA -0.497 54.967 55.803 -0.565 0.000 0.960 18 Q CB 0.570 29.005 28.738 -0.504 0.000 1.116 18 Q HN 0.329 nan 8.270 nan 0.000 0.500 19 L N 3.100 124.346 121.223 0.038 0.000 2.540 19 L HA -0.023 4.317 4.340 -0.000 0.000 0.276 19 L C -0.135 176.846 176.870 0.186 0.000 1.212 19 L CA 0.708 55.607 54.840 0.099 0.000 0.893 19 L CB 0.131 42.218 42.059 0.048 0.000 1.138 19 L HN 0.300 nan 8.230 nan 0.000 0.491 20 N N 1.235 120.034 118.700 0.165 0.000 3.261 20 N HA 0.215 4.955 4.740 -0.000 0.000 0.248 20 N C -1.785 173.778 175.510 0.090 0.000 1.498 20 N CA -0.893 52.235 53.050 0.130 0.000 0.884 20 N CB 0.442 39.017 38.487 0.148 0.000 1.428 20 N HN 0.370 nan 8.380 nan 0.000 0.517 21 N N 0.897 119.633 118.700 0.061 0.000 2.895 21 N HA 0.063 4.802 4.740 -0.000 0.000 0.277 21 N C -0.903 174.632 175.510 0.042 0.000 1.185 21 N CA -0.109 52.966 53.050 0.042 0.000 1.106 21 N CB -0.775 37.726 38.487 0.024 0.000 1.422 21 N HN 0.684 nan 8.380 nan 0.000 0.521 22 D N 0.213 120.651 120.400 0.062 0.000 6.161 22 D HA -0.190 4.450 4.640 -0.000 0.000 0.164 22 D C -0.812 175.522 176.300 0.057 0.000 1.183 22 D CA 0.778 54.824 54.000 0.077 0.000 0.754 22 D CB -0.119 40.733 40.800 0.087 0.000 1.406 22 D HN 0.313 nan 8.370 nan 0.000 0.807 23 D N 2.257 122.682 120.400 0.042 0.000 2.249 23 D HA 0.326 4.966 4.640 -0.000 0.000 0.246 23 D C 0.873 177.205 176.300 0.053 0.000 1.114 23 D CA 0.055 54.049 54.000 -0.010 0.000 0.854 23 D CB 1.198 41.959 40.800 -0.065 0.000 1.132 23 D HN 0.507 nan 8.370 nan 0.000 0.461 24 T N 0.583 115.200 114.554 0.106 0.000 14.164 24 T HA -0.251 4.098 4.350 -0.000 0.000 0.419 24 T C 0.314 175.175 174.700 0.268 0.000 1.441 24 T CA 0.450 62.741 62.100 0.317 0.000 2.332 24 T CB -1.148 67.899 68.868 0.298 0.000 2.758 24 T HN 0.433 nan 8.240 nan 0.000 0.250 25 S N 2.034 117.885 115.700 0.252 0.000 2.456 25 S HA 0.607 5.077 4.470 -0.000 0.000 0.316 25 S C -0.857 173.835 174.600 0.153 0.000 1.089 25 S CA -0.491 57.810 58.200 0.168 0.000 1.101 25 S CB 0.546 63.807 63.200 0.102 0.000 0.995 25 S HN 0.744 nan 8.310 nan 0.000 0.468 26 K N 4.711 125.200 120.400 0.150 0.000 2.651 26 K HA 0.236 4.556 4.320 -0.000 0.000 0.259 26 K C -1.420 175.295 176.600 0.191 0.000 1.017 26 K CA -0.578 55.809 56.287 0.168 0.000 0.897 26 K CB 0.678 33.266 32.500 0.148 0.000 1.262 26 K HN 0.531 nan 8.250 nan 0.000 0.460 38 H N 2.104 121.279 119.070 0.175 0.000 2.348 38 H HA 0.189 4.744 4.556 -0.000 0.000 0.232 38 H C 0.987 176.453 175.328 0.229 0.000 1.419 38 H CA -0.025 56.173 56.048 0.250 0.000 1.416 38 H CB 1.414 31.352 29.762 0.294 0.000 1.510 38 H HN 0.131 nan 8.280 nan 0.000 0.507 39 K N 0.914 121.467 120.400 0.256 0.000 2.288 39 K HA -0.104 4.216 4.320 -0.000 0.000 0.201 39 K C 1.138 177.858 176.600 0.201 0.000 1.048 39 K CA 0.946 57.349 56.287 0.193 0.000 0.956 39 K CB 0.109 32.692 32.500 0.138 0.000 0.746 39 K HN 0.244 nan 8.250 nan 0.000 0.461 40 F N 0.222 120.215 119.950 0.073 0.000 2.188 40 F HA 0.137 4.663 4.527 -0.001 0.000 0.289 40 F C 1.288 177.045 175.800 -0.071 0.000 1.082 40 F CA 0.505 58.462 58.000 -0.072 0.000 1.282 40 F CB -0.342 38.520 39.000 -0.230 0.000 1.060 40 F HN -0.029 nan 8.300 nan 0.000 0.493 41 W N 1.003 122.169 121.300 -0.224 0.000 2.465 41 W HA 0.039 4.698 4.660 -0.000 0.000 0.268 41 W C 2.576 178.966 176.519 -0.216 0.000 1.242 41 W CA 0.925 58.057 57.345 -0.354 0.000 1.248 41 W CB -0.414 29.018 29.460 -0.047 0.000 1.118 41 W HN -0.069 nan 8.180 nan 0.000 0.587 42 R N 0.488 121.050 120.500 0.103 0.000 2.200 42 R HA -0.139 4.200 4.340 -0.000 0.000 0.234 42 R C 1.615 177.906 176.300 -0.015 0.000 1.127 42 R CA 1.696 57.833 56.100 0.060 0.000 0.989 42 R CB -0.344 30.012 30.300 0.094 0.000 0.869 42 R HN 0.167 nan 8.270 nan 0.000 0.459 43 T N -2.097 112.399 114.554 -0.097 0.000 3.186 43 T HA 0.211 4.561 4.350 -0.000 0.000 0.257 43 T C 0.002 174.603 174.700 -0.165 0.000 1.029 43 T CA -0.535 61.499 62.100 -0.109 0.000 0.916 43 T CB 0.443 69.261 68.868 -0.084 0.000 1.041 43 T HN -0.080 nan 8.240 nan 0.000 0.562 44 Q N 1.584 121.279 119.800 -0.175 0.000 2.345 44 Q HA 0.399 4.739 4.340 -0.000 0.000 0.268 44 Q C -2.860 173.065 176.000 -0.125 0.000 1.054 44 Q CA -2.673 53.035 55.803 -0.159 0.000 0.835 44 Q CB 1.883 30.509 28.738 -0.188 0.000 1.339 44 Q HN 0.028 nan 8.270 nan 0.000 0.447 45 P HA 0.005 nan 4.420 nan 0.000 0.235 45 P C -0.644 176.466 177.300 -0.316 0.000 1.720 45 P CA 0.285 63.205 63.100 -0.301 0.000 1.003 45 P CB -0.327 31.116 31.700 -0.429 0.000 1.968 46 V N -2.613 117.214 119.914 -0.144 0.000 2.823 46 V HA 0.463 4.582 4.120 -0.000 0.000 0.312 46 V C 0.199 176.238 176.094 -0.091 0.000 1.072 46 V CA -1.632 60.620 62.300 -0.079 0.000 0.937 46 V CB 2.317 34.148 31.823 0.013 0.000 1.013 46 V HN -0.087 nan 8.190 nan 0.000 0.430 47 K N 1.914 122.261 120.400 -0.087 0.000 2.511 47 K HA 0.024 4.343 4.320 -0.000 0.000 0.280 47 K C -0.420 176.058 176.600 -0.203 0.000 1.008 47 K CA 0.386 56.604 56.287 -0.115 0.000 1.050 47 K CB 0.385 32.830 32.500 -0.091 0.000 0.889 47 K HN 0.974 nan 8.250 nan 0.000 0.484 48 D N 2.219 122.512 120.400 -0.178 0.000 2.340 48 D HA 0.132 4.771 4.640 -0.000 0.000 0.251 48 D C 0.852 177.023 176.300 -0.214 0.000 1.080 48 D CA -0.511 53.348 54.000 -0.236 0.000 0.971 48 D CB 0.585 41.331 40.800 -0.090 0.000 1.137 48 D HN 0.352 nan 8.370 nan 0.000 0.475 49 F N 0.087 120.012 119.950 -0.042 0.000 2.134 49 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 49 F C 2.225 178.006 175.800 -0.031 0.000 1.097 49 F CA 1.242 59.219 58.000 -0.038 0.000 1.264 49 F CB -0.228 38.744 39.000 -0.047 0.000 1.001 49 F HN 0.466 nan 8.300 nan 0.000 0.479 50 D N 0.521 121.016 120.400 0.158 0.000 2.348 50 D HA -0.163 4.477 4.640 -0.000 0.000 0.216 50 D C 0.560 176.881 176.300 0.035 0.000 0.970 50 D CA 0.319 54.367 54.000 0.079 0.000 0.889 50 D CB -0.703 40.135 40.800 0.062 0.000 0.912 50 D HN 0.421 nan 8.370 nan 0.000 0.524 51 E N 1.561 121.770 120.200 0.015 0.000 2.104 51 E HA 0.051 4.401 4.350 -0.000 0.000 0.278 51 E C -0.504 176.087 176.600 -0.015 0.000 1.127 51 E CA -0.396 55.997 56.400 -0.012 0.000 0.897 51 E CB 0.516 30.194 29.700 -0.036 0.000 1.043 51 E HN -0.017 nan 8.360 nan 0.000 0.410 52 K N 3.148 123.540 120.400 -0.014 0.000 2.249 52 K HA 0.127 4.446 4.320 -0.000 0.000 0.280 52 K C -0.413 176.170 176.600 -0.029 0.000 1.033 52 K CA -0.426 55.851 56.287 -0.018 0.000 0.946 52 K CB 1.696 34.188 32.500 -0.014 0.000 1.005 52 K HN 0.402 nan 8.250 nan 0.000 0.469 53 V N 5.058 124.952 119.914 -0.033 0.000 2.408 53 V HA 0.035 4.155 4.120 -0.000 0.000 0.267 53 V C 0.909 176.978 176.094 -0.042 0.000 1.047 53 V CA -0.208 62.064 62.300 -0.046 0.000 0.937 53 V CB 0.925 32.717 31.823 -0.052 0.000 0.999 53 V HN 0.655 nan 8.190 nan 0.000 0.472 54 V N 2.951 122.837 119.914 -0.047 0.000 2.500 54 V HA 0.374 4.494 4.120 -0.000 0.000 0.243 54 V C 0.864 176.931 176.094 -0.046 0.000 1.039 54 V CA 0.946 63.221 62.300 -0.041 0.000 1.053 54 V CB -0.587 31.213 31.823 -0.038 0.000 0.695 54 V HN 0.907 nan 8.190 nan 0.000 0.463 55 E N -0.301 119.861 120.200 -0.064 0.000 2.308 55 E HA 0.372 4.722 4.350 -0.000 0.000 0.275 55 E C -1.158 175.369 176.600 -0.120 0.000 0.890 55 E CA -0.597 55.760 56.400 -0.073 0.000 0.754 55 E CB 2.196 31.856 29.700 -0.066 0.000 1.207 55 E HN 0.534 nan 8.360 nan 0.000 0.426 56 E N 1.180 121.308 120.200 -0.119 0.000 2.313 56 E HA 0.558 4.908 4.350 -0.000 0.000 0.276 56 E C -0.059 176.330 176.600 -0.352 0.000 1.031 56 E CA -0.155 56.114 56.400 -0.218 0.000 0.857 56 E CB 1.537 31.206 29.700 -0.051 0.000 1.040 56 E HN 0.663 nan 8.360 nan 0.000 0.408 57 G N 2.735 111.046 108.800 -0.815 0.000 2.324 57 G HA2 0.123 4.083 3.960 -0.000 0.000 0.293 57 G HA3 0.123 4.083 3.960 -0.000 0.000 0.293 57 G C -3.048 171.390 174.900 -0.770 0.000 1.297 57 G CA -1.105 43.568 45.100 -0.712 0.000 0.853 57 G HN 0.262 nan 8.290 nan 0.000 0.535 58 P HA 0.352 nan 4.420 nan 0.000 0.271 58 P C 0.550 177.803 177.300 -0.079 0.000 1.238 58 P CA -0.103 62.993 63.100 -0.006 0.000 0.794 58 P CB 0.725 32.521 31.700 0.160 0.000 0.959 59 I N -1.451 119.111 120.570 -0.012 0.000 3.194 59 I HA 0.093 4.262 4.170 -0.000 0.000 0.271 59 I C 0.427 176.516 176.117 -0.047 0.000 1.150 59 I CA 0.351 61.617 61.300 -0.057 0.000 1.440 59 I CB -0.138 37.817 38.000 -0.075 0.000 1.276 59 I HN 0.209 nan 8.210 nan 0.000 0.457 60 D N 2.551 122.936 120.400 -0.026 0.000 2.362 60 D HA 0.140 4.780 4.640 -0.000 0.000 0.242 60 D C -0.060 176.201 176.300 -0.065 0.000 1.132 60 D CA 0.081 54.057 54.000 -0.040 0.000 0.907 60 D CB 0.702 41.489 40.800 -0.021 0.000 1.195 60 D HN -0.014 nan 8.370 nan 0.000 0.429 61 K N 1.865 122.218 120.400 -0.078 0.000 2.401 61 K HA 0.166 4.486 4.320 -0.000 0.000 0.278 61 K C -2.146 174.355 176.600 -0.166 0.000 1.018 61 K CA -1.058 55.169 56.287 -0.099 0.000 0.981 61 K CB -0.023 32.428 32.500 -0.081 0.000 0.933 61 K HN 0.157 nan 8.250 nan 0.000 0.477 62 P HA -0.098 nan 4.420 nan 0.000 0.263 62 P C -0.744 176.329 177.300 -0.379 0.000 1.168 62 P CA 0.625 63.540 63.100 -0.307 0.000 0.759 62 P CB 0.496 32.074 31.700 -0.202 0.000 0.782 63 K N 0.685 120.673 120.400 -0.685 0.000 2.349 63 K HA 0.732 5.052 4.320 -0.000 0.000 0.243 63 K C -0.317 175.997 176.600 -0.476 0.000 1.058 63 K CA -0.779 55.152 56.287 -0.594 0.000 0.871 63 K CB 1.788 33.882 32.500 -0.677 0.000 1.337 63 K HN 0.442 nan 8.250 nan 0.000 0.469 64 T N -2.578 111.913 114.554 -0.105 0.000 2.906 64 T HA 0.274 4.623 4.350 -0.000 0.000 0.295 64 T C -2.464 172.436 174.700 0.333 0.000 1.061 64 T CA -2.051 60.142 62.100 0.155 0.000 1.000 64 T CB 1.762 70.672 68.868 0.071 0.000 1.103 64 T HN 0.138 nan 8.240 nan 0.000 0.486 65 P HA -0.136 nan 4.420 nan 0.000 0.218 65 P C 1.016 178.395 177.300 0.131 0.000 1.147 65 P CA 1.121 64.346 63.100 0.208 0.000 0.827 65 P CB 0.079 31.848 31.700 0.115 0.000 0.778 66 E N -0.915 119.350 120.200 0.108 0.000 2.274 66 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 66 E C 1.366 178.003 176.600 0.062 0.000 0.996 66 E CA 0.828 57.266 56.400 0.065 0.000 0.840 66 E CB -0.801 28.927 29.700 0.046 0.000 0.772 66 E HN 0.391 nan 8.360 nan 0.000 0.491 67 D N -0.388 120.065 120.400 0.087 0.000 2.355 67 D HA 0.004 4.643 4.640 -0.000 0.000 0.218 67 D C -0.082 176.267 176.300 0.082 0.000 1.004 67 D CA 0.405 54.449 54.000 0.073 0.000 0.880 67 D CB 0.508 41.349 40.800 0.068 0.000 0.911 67 D HN 0.175 nan 8.370 nan 0.000 0.528 68 I N 1.075 121.701 120.570 0.094 0.000 2.406 68 I HA 0.008 4.178 4.170 -0.000 0.000 0.290 68 I C 0.636 176.766 176.117 0.023 0.000 0.999 68 I CA -0.461 60.876 61.300 0.062 0.000 1.124 68 I CB 1.872 39.914 38.000 0.069 0.000 1.289 68 I HN -0.210 nan 8.210 nan 0.000 0.441 69 S N 2.554 118.257 115.700 0.004 0.000 2.608 69 S HA 0.222 4.692 4.470 -0.000 0.000 0.261 69 S C 0.342 174.924 174.600 -0.029 0.000 1.314 69 S CA -0.340 57.855 58.200 -0.009 0.000 0.992 69 S CB 0.965 64.159 63.200 -0.009 0.000 0.935 69 S HN 0.611 nan 8.310 nan 0.000 0.564 70 D N -0.050 120.332 120.400 -0.030 0.000 2.366 70 D HA 0.100 4.740 4.640 -0.000 0.000 0.205 70 D C -0.039 176.229 176.300 -0.053 0.000 1.022 70 D CA 0.261 54.235 54.000 -0.043 0.000 0.868 70 D CB 0.077 40.857 40.800 -0.033 0.000 0.953 70 D HN 0.716 nan 8.370 nan 0.000 0.514 71 K N 1.646 122.023 120.400 -0.040 0.000 2.378 71 K HA 0.288 4.608 4.320 -0.000 0.000 0.288 71 K C -2.579 173.982 176.600 -0.066 0.000 1.057 71 K CA -1.354 54.913 56.287 -0.034 0.000 0.971 71 K CB 0.363 32.858 32.500 -0.008 0.000 0.975 71 K HN -0.157 nan 8.250 nan 0.000 0.475 72 P HA -0.020 nan 4.420 nan 0.000 0.269 72 P C -0.592 176.664 177.300 -0.073 0.000 1.209 72 P CA -0.446 62.524 63.100 -0.217 0.000 0.776 72 P CB 0.408 31.926 31.700 -0.303 0.000 0.876 73 L N 5.359 126.519 121.223 -0.104 0.000 2.490 73 L HA 0.117 4.456 4.340 -0.000 0.000 0.274 73 L C -1.816 175.242 176.870 0.315 0.000 1.201 73 L CA -0.802 54.092 54.840 0.090 0.000 0.869 73 L CB -0.802 41.298 42.059 0.068 0.000 1.123 73 L HN 0.327 nan 8.230 nan 0.000 0.484 74 P HA 0.044 nan 4.420 nan 0.000 0.261 74 P C -0.695 176.706 177.300 0.168 0.000 1.183 74 P CA 0.284 63.489 63.100 0.175 0.000 0.761 74 P CB 0.335 32.093 31.700 0.097 0.000 0.785 75 L N 3.083 124.373 121.223 0.111 0.000 2.387 75 L HA 0.382 4.722 4.340 -0.000 0.000 0.266 75 L C 0.827 177.726 176.870 0.048 0.000 1.059 75 L CA -1.178 53.647 54.840 -0.024 0.000 0.801 75 L CB 0.468 42.383 42.059 -0.242 0.000 1.223 75 L HN 0.182 nan 8.230 nan 0.000 0.456 76 L N 0.313 121.591 121.223 0.092 0.000 2.479 76 L HA 0.091 4.430 4.340 -0.000 0.000 0.270 76 L C 0.707 177.653 176.870 0.126 0.000 1.236 76 L CA -0.395 54.526 54.840 0.135 0.000 0.823 76 L CB 0.121 42.294 42.059 0.191 0.000 1.098 76 L HN 0.716 nan 8.230 nan 0.000 0.500 77 S N 0.168 115.889 115.700 0.035 0.000 2.546 77 S HA 0.376 4.845 4.470 -0.000 0.000 0.290 77 S C 0.772 175.269 174.600 -0.172 0.000 1.290 77 S CA -0.046 58.128 58.200 -0.043 0.000 1.069 77 S CB 0.943 64.116 63.200 -0.044 0.000 0.846 77 S HN 1.112 nan 8.310 nan 0.000 0.495 78 S N 1.171 116.728 115.700 -0.240 0.000 1.538 78 S HA -0.072 4.398 4.470 -0.000 0.000 0.249 78 S C 0.123 174.373 174.600 -0.583 0.000 0.938 78 S CA 0.270 58.190 58.200 -0.467 0.000 1.162 78 S CB -2.278 nan 63.200 nan 0.000 1.368 78 S HN 0.696 nan 8.310 nan 0.000 0.522 79 F N 2.052 121.923 119.950 -0.133 0.000 2.509 79 F HA 0.727 5.254 4.527 -0.001 0.000 0.334 79 F C 0.428 176.108 175.800 -0.200 0.000 1.060 79 F CA 0.049 57.935 58.000 -0.190 0.000 0.997 79 F CB 1.406 40.245 39.000 -0.269 0.000 1.271 79 F HN 0.451 nan 8.300 nan 0.000 0.488 80 E N 0.068 120.252 120.200 -0.028 0.000 2.390 80 E HA 0.261 4.611 4.350 -0.000 0.000 0.280 80 E C -2.066 174.448 176.600 -0.144 0.000 0.992 80 E CA -0.946 55.405 56.400 -0.082 0.000 0.790 80 E CB 1.231 30.936 29.700 0.008 0.000 1.248 80 E HN 0.551 nan 8.360 nan 0.000 0.447 81 W N 1.132 122.454 121.300 0.036 0.000 2.030 81 W HA 0.521 5.181 4.660 -0.000 0.000 0.360 81 W C 0.190 176.723 176.519 0.025 0.000 1.370 81 W CA 0.209 57.565 57.345 0.018 0.000 1.433 81 W CB 0.939 30.398 29.460 -0.002 0.000 1.204 81 W HN 0.779 nan 8.180 nan 0.000 0.649 82 C N -1.513 117.975 119.300 0.313 0.000 3.254 82 C HA 0.563 5.022 4.460 -0.000 0.000 0.405 82 C C -0.300 174.797 174.990 0.178 0.000 1.027 82 C CA -1.273 57.858 59.018 0.189 0.000 1.192 82 C CB 0.257 28.077 27.740 0.134 0.000 1.567 82 C HN 0.561 nan 8.230 nan 0.000 0.582 83 S N 0.983 116.765 115.700 0.137 0.000 2.614 83 S HA 0.696 5.165 4.470 -0.000 0.000 0.265 83 S C -0.351 174.351 174.600 0.169 0.000 1.303 83 S CA -0.199 58.088 58.200 0.145 0.000 1.000 83 S CB 0.541 63.804 63.200 0.106 0.000 0.935 83 S HN 0.672 nan 8.310 nan 0.000 0.551 84 I N 1.866 122.573 120.570 0.228 0.000 2.410 84 I HA 0.216 4.386 4.170 -0.000 0.000 0.286 84 I C -0.656 175.602 176.117 0.235 0.000 1.009 84 I CA -0.345 61.074 61.300 0.197 0.000 1.111 84 I CB 1.699 39.822 38.000 0.204 0.000 1.262 84 I HN 0.450 nan 8.210 nan 0.000 0.443 85 D N 6.042 126.548 120.400 0.177 0.000 2.393 85 D HA 0.160 4.800 4.640 -0.000 0.000 0.232 85 D C 1.163 177.534 176.300 0.119 0.000 1.192 85 D CA -0.057 54.082 54.000 0.232 0.000 0.882 85 D CB 1.150 42.056 40.800 0.177 0.000 1.038 85 D HN 0.286 nan 8.370 nan 0.000 0.499 86 V N 3.989 123.923 119.914 0.033 0.000 2.252 86 V HA -0.326 3.794 4.120 -0.000 0.000 0.255 86 V C 1.722 177.794 176.094 -0.036 0.000 1.071 86 V CA 2.132 64.339 62.300 -0.154 0.000 1.050 86 V CB -0.382 31.158 31.823 -0.471 0.000 0.654 86 V HN 0.628 nan 8.190 nan 0.000 0.448 87 D N -0.211 120.220 120.400 0.051 0.000 2.309 87 D HA -0.109 4.530 4.640 -0.000 0.000 0.212 87 D C 1.245 177.582 176.300 0.062 0.000 0.968 87 D CA 0.565 54.611 54.000 0.077 0.000 0.882 87 D CB -0.424 40.458 40.800 0.136 0.000 0.918 87 D HN 0.505 nan 8.370 nan 0.000 0.503 88 N N 1.830 120.563 118.700 0.056 0.000 2.508 88 N HA -0.045 4.694 4.740 -0.000 0.000 0.253 88 N C 1.098 176.615 175.510 0.011 0.000 1.145 88 N CA -0.164 52.908 53.050 0.036 0.000 0.973 88 N CB 0.479 38.989 38.487 0.038 0.000 1.305 88 N HN -0.084 nan 8.380 nan 0.000 0.506 89 K N 3.030 123.443 120.400 0.022 0.000 2.066 89 K HA -0.262 4.058 4.320 -0.000 0.000 0.221 89 K C 1.374 177.959 176.600 -0.025 0.000 1.056 89 K CA 1.898 58.198 56.287 0.022 0.000 0.950 89 K CB -0.147 32.377 32.500 0.041 0.000 0.726 89 K HN 0.580 nan 8.250 nan 0.000 0.456 90 K N 0.909 121.295 120.400 -0.024 0.000 2.059 90 K HA -0.230 4.090 4.320 -0.000 0.000 0.212 90 K C 2.470 179.013 176.600 -0.095 0.000 1.050 90 K CA 1.920 58.177 56.287 -0.050 0.000 0.927 90 K CB -0.202 32.284 32.500 -0.024 0.000 0.714 90 K HN 0.289 nan 8.250 nan 0.000 0.447 91 Q N 0.410 120.164 119.800 -0.076 0.000 2.049 91 Q HA -0.106 4.233 4.340 -0.000 0.000 0.198 91 Q C 2.211 178.100 176.000 -0.185 0.000 0.971 91 Q CA 0.949 56.695 55.803 -0.094 0.000 0.833 91 Q CB -0.125 28.594 28.738 -0.032 0.000 0.896 91 Q HN 0.165 nan 8.270 nan 0.000 0.434 92 L N 1.380 122.498 121.223 -0.175 0.000 1.989 92 L HA -0.257 4.083 4.340 -0.000 0.000 0.211 92 L C 2.268 178.809 176.870 -0.548 0.000 1.071 92 L CA 2.141 56.836 54.840 -0.242 0.000 0.749 92 L CB -0.539 41.482 42.059 -0.064 0.000 0.890 92 L HN 0.256 nan 8.230 nan 0.000 0.431 93 E N -0.871 118.954 120.200 -0.625 0.000 2.114 93 E HA -0.315 4.034 4.350 -0.000 0.000 0.199 93 E C 1.799 177.831 176.600 -0.947 0.000 1.008 93 E CA 1.772 57.453 56.400 -1.197 0.000 0.810 93 E CB -0.169 29.267 29.700 -0.439 0.000 0.739 93 E HN 0.544 nan 8.360 nan 0.000 0.456 94 D N -0.255 119.853 120.400 -0.487 0.000 2.133 94 D HA -0.158 4.481 4.640 -0.000 0.000 0.195 94 D C 1.960 178.054 176.300 -0.344 0.000 0.997 94 D CA 1.240 55.054 54.000 -0.311 0.000 0.840 94 D CB -0.150 40.537 40.800 -0.188 0.000 0.947 94 D HN 0.124 nan 8.370 nan 0.000 0.452 95 V N 1.039 120.663 119.914 -0.484 0.000 2.244 95 V HA -0.235 3.885 4.120 -0.000 0.000 0.244 95 V C 2.251 178.144 176.094 -0.335 0.000 1.042 95 V CA 1.876 63.824 62.300 -0.588 0.000 1.006 95 V CB -0.776 30.443 31.823 -1.006 0.000 0.641 95 V HN 0.226 nan 8.190 nan 0.000 0.446 96 F N -0.294 119.616 119.950 -0.068 0.000 2.502 96 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 96 F C 1.974 177.833 175.800 0.097 0.000 1.111 96 F CA 0.471 58.549 58.000 0.130 0.000 1.445 96 F CB -1.674 37.478 39.000 0.254 0.000 1.081 96 F HN -0.037 nan 8.300 nan 0.000 0.558 97 V N 1.007 120.979 119.914 0.097 0.000 2.323 97 V HA -0.232 3.888 4.120 -0.000 0.000 0.244 97 V C 2.532 178.692 176.094 0.110 0.000 1.041 97 V CA 1.705 64.084 62.300 0.131 0.000 1.025 97 V CB -0.664 31.172 31.823 0.021 0.000 0.656 97 V HN 0.479 nan 8.190 nan 0.000 0.451 98 L N -0.530 120.718 121.223 0.041 0.000 2.042 98 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 98 L C 2.223 179.163 176.870 0.117 0.000 1.076 98 L CA 1.956 56.842 54.840 0.077 0.000 0.749 98 L CB -0.534 41.543 42.059 0.030 0.000 0.893 98 L HN 0.126 nan 8.230 nan 0.000 0.432 99 L N -0.306 120.979 121.223 0.104 0.000 1.961 99 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 99 L C 2.413 179.457 176.870 0.289 0.000 1.072 99 L CA 1.825 56.762 54.840 0.162 0.000 0.749 99 L CB -1.500 40.587 42.059 0.047 0.000 0.889 99 L HN 0.381 nan 8.230 nan 0.000 0.432 100 N N 0.337 119.231 118.700 0.323 0.000 2.137 100 N HA -0.232 4.507 4.740 -0.000 0.000 0.190 100 N C 1.726 177.351 175.510 0.192 0.000 1.017 100 N CA 1.333 54.552 53.050 0.281 0.000 0.859 100 N CB -0.209 38.425 38.487 0.244 0.000 1.002 100 N HN 0.424 nan 8.380 nan 0.000 0.428 101 E N -0.403 119.888 120.200 0.151 0.000 2.371 101 E HA 0.115 4.465 4.350 -0.000 0.000 0.194 101 E C 0.692 177.317 176.600 0.042 0.000 1.012 101 E CA 0.372 56.820 56.400 0.079 0.000 0.860 101 E CB 0.246 29.985 29.700 0.065 0.000 0.811 101 E HN 0.388 nan 8.360 nan 0.000 0.502 102 N N -1.175 117.585 118.700 0.099 0.000 2.168 102 N HA -0.031 4.709 4.740 -0.000 0.000 0.216 102 N C 0.409 176.014 175.510 0.159 0.000 1.259 102 N CA 0.028 53.117 53.050 0.064 0.000 0.902 102 N CB 0.379 38.877 38.487 0.019 0.000 1.079 102 N HN 0.081 nan 8.380 nan 0.000 0.507 103 Y N 1.874 122.222 120.300 0.079 0.000 2.578 103 Y HA 0.184 4.734 4.550 -0.000 0.000 0.297 103 Y C 0.394 176.368 175.900 0.122 0.000 1.176 103 Y CA 0.078 58.226 58.100 0.079 0.000 1.315 103 Y CB 0.301 38.785 38.460 0.040 0.000 1.031 103 Y HN -0.239 nan 8.280 nan 0.000 0.524 104 V N 0.389 120.385 119.914 0.138 0.000 2.483 104 V HA 0.262 4.382 4.120 -0.000 0.000 0.297 104 V C 0.726 176.790 176.094 -0.050 0.000 1.027 104 V CA -0.699 61.623 62.300 0.037 0.000 0.855 104 V CB 1.359 33.095 31.823 -0.145 0.000 0.995 104 V HN 0.146 nan 8.190 nan 0.000 0.424 105 E N 2.879 123.067 120.200 -0.020 0.000 2.035 105 E HA -0.163 4.186 4.350 -0.000 0.000 0.204 105 E C 0.654 177.227 176.600 -0.046 0.000 1.025 105 E CA 1.491 57.885 56.400 -0.009 0.000 0.835 105 E CB -0.101 29.623 29.700 0.039 0.000 0.764 105 E HN 0.852 nan 8.360 nan 0.000 0.457 106 D N 0.399 120.751 120.400 -0.079 0.000 2.348 106 D HA -0.013 4.627 4.640 -0.000 0.000 0.253 106 D C 1.048 177.257 176.300 -0.151 0.000 1.161 106 D CA -0.082 53.860 54.000 -0.096 0.000 0.876 106 D CB 0.764 41.514 40.800 -0.084 0.000 1.160 106 D HN -0.096 nan 8.370 nan 0.000 0.459 107 R N 2.599 123.037 120.500 -0.105 0.000 2.073 107 R HA -0.095 4.244 4.340 -0.000 0.000 0.229 107 R C 0.503 176.733 176.300 -0.116 0.000 1.120 107 R CA 1.013 57.050 56.100 -0.105 0.000 0.967 107 R CB -0.538 29.722 30.300 -0.066 0.000 0.862 107 R HN 0.545 nan 8.270 nan 0.000 0.436 108 D N -0.394 119.950 120.400 -0.092 0.000 3.071 108 D HA 0.255 4.895 4.640 -0.000 0.000 0.259 108 D C 0.528 176.778 176.300 -0.083 0.000 1.331 108 D CA -0.046 53.908 54.000 -0.077 0.000 0.861 108 D CB 0.631 41.404 40.800 -0.045 0.000 1.059 108 D HN 0.036 nan 8.370 nan 0.000 0.486 109 A N 0.268 122.995 122.820 -0.155 0.000 2.178 109 A HA 0.513 4.833 4.320 -0.000 0.000 0.211 109 A C 2.110 179.681 177.584 -0.021 0.000 1.157 109 A CA 0.491 52.445 52.037 -0.139 0.000 0.780 109 A CB -0.345 18.447 19.000 -0.346 0.000 0.828 109 A HN 0.659 nan 8.150 nan 0.000 0.476 110 G N -1.258 107.513 108.800 -0.050 0.000 2.284 110 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.230 110 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.230 110 G C 0.177 175.141 174.900 0.106 0.000 1.021 110 G CA 0.289 45.427 45.100 0.064 0.000 0.619 110 G HN 1.342 nan 8.290 nan 0.000 0.510 111 F N 0.149 120.059 119.950 -0.066 0.000 2.561 111 F HA 0.942 5.468 4.527 -0.001 0.000 0.321 111 F C -0.131 175.501 175.800 -0.279 0.000 1.065 111 F CA -1.681 56.213 58.000 -0.177 0.000 0.934 111 F CB 1.387 40.277 39.000 -0.183 0.000 1.215 111 F HN 0.116 nan 8.300 nan 0.000 0.471 112 R N 1.889 122.243 120.500 -0.243 0.000 2.725 112 R HA 0.450 4.789 4.340 -0.000 0.000 0.277 112 R C -1.634 174.594 176.300 -0.119 0.000 0.987 112 R CA -1.010 54.956 56.100 -0.223 0.000 0.901 112 R CB 2.230 32.482 30.300 -0.081 0.000 1.207 112 R HN 0.672 nan 8.270 nan 0.000 0.463 113 F N 1.512 121.428 119.950 -0.058 0.000 2.563 113 F HA 0.022 4.548 4.527 -0.000 0.000 0.363 113 F C 1.319 177.087 175.800 -0.052 0.000 1.123 113 F CA 0.799 58.836 58.000 0.062 0.000 1.307 113 F CB 0.495 39.490 39.000 -0.007 0.000 1.115 113 F HN 0.338 nan 8.300 nan 0.000 0.592 114 N N 4.359 123.069 118.700 0.016 0.000 2.844 114 N HA 0.091 4.831 4.740 -0.000 0.000 0.268 114 N C -1.469 173.896 175.510 -0.242 0.000 1.574 114 N CA -0.300 52.704 53.050 -0.077 0.000 0.838 114 N CB 0.165 38.622 38.487 -0.050 0.000 1.177 114 N HN 0.519 nan 8.380 nan 0.000 0.495 115 Y N 1.332 121.532 120.300 -0.166 0.000 2.496 115 Y HA 0.004 4.554 4.550 -0.000 0.000 0.334 115 Y C 1.674 177.239 175.900 -0.559 0.000 1.080 115 Y CA -0.079 57.735 58.100 -0.476 0.000 1.355 115 Y CB 0.661 38.821 38.460 -0.498 0.000 1.193 115 Y HN 0.231 nan 8.280 nan 0.000 0.523 116 T N -0.497 113.830 114.554 -0.378 0.000 2.927 116 T HA 0.215 4.565 4.350 -0.000 0.000 0.281 116 T C 1.094 175.538 174.700 -0.426 0.000 0.998 116 T CA -0.948 60.847 62.100 -0.508 0.000 1.019 116 T CB 1.515 70.244 68.868 -0.232 0.000 1.061 116 T HN 0.756 nan 8.240 nan 0.000 0.518 117 K N 0.644 120.797 120.400 -0.413 0.000 2.063 117 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 117 K C 1.609 178.272 176.600 0.105 0.000 1.048 117 K CA 1.697 58.046 56.287 0.103 0.000 0.928 117 K CB -0.377 32.254 32.500 0.218 0.000 0.713 117 K HN 0.595 nan 8.250 nan 0.000 0.442 118 E N 0.645 120.867 120.200 0.037 0.000 2.085 118 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 118 E C 1.680 178.348 176.600 0.113 0.000 0.994 118 E CA 1.590 58.025 56.400 0.057 0.000 0.801 118 E CB -0.369 29.343 29.700 0.019 0.000 0.743 118 E HN 0.449 nan 8.360 nan 0.000 0.453 119 F N -0.399 119.525 119.950 -0.042 0.000 2.113 119 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 119 F C 1.788 177.651 175.800 0.106 0.000 1.103 119 F CA 1.406 59.407 58.000 0.002 0.000 1.248 119 F CB -0.237 38.681 39.000 -0.136 0.000 0.999 119 F HN 0.005 nan 8.300 nan 0.000 0.475 120 F N 0.111 120.136 119.950 0.126 0.000 2.325 120 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 120 F C 2.184 177.880 175.800 -0.174 0.000 1.090 120 F CA 0.765 58.692 58.000 -0.122 0.000 1.392 120 F CB -0.521 38.414 39.000 -0.110 0.000 1.053 120 F HN 0.049 nan 8.300 nan 0.000 0.521 121 N N -0.245 118.524 118.700 0.115 0.000 2.149 121 N HA -0.262 4.478 4.740 -0.000 0.000 0.188 121 N C 1.517 177.060 175.510 0.055 0.000 1.019 121 N CA 1.517 54.586 53.050 0.031 0.000 0.857 121 N CB -0.340 38.188 38.487 0.069 0.000 0.997 121 N HN 0.418 nan 8.380 nan 0.000 0.426 122 W N 0.525 121.743 121.300 -0.136 0.000 2.443 122 W HA 0.228 4.887 4.660 -0.000 0.000 0.296 122 W C 2.073 178.531 176.519 -0.102 0.000 1.202 122 W CA 1.449 58.694 57.345 -0.165 0.000 1.312 122 W CB -0.549 28.743 29.460 -0.279 0.000 1.120 122 W HN 0.056 nan 8.180 nan 0.000 0.536 123 A N 0.182 122.765 122.820 -0.396 0.000 1.935 123 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 123 A C 1.981 179.432 177.584 -0.222 0.000 1.178 123 A CA 1.413 53.108 52.037 -0.570 0.000 0.640 123 A CB -0.776 17.970 19.000 -0.424 0.000 0.825 123 A HN 0.338 nan 8.150 nan 0.000 0.447 124 L N -1.105 120.003 121.223 -0.192 0.000 2.446 124 L HA 0.094 4.433 4.340 -0.000 0.000 0.219 124 L C 0.869 177.517 176.870 -0.371 0.000 1.116 124 L CA 0.496 55.193 54.840 -0.239 0.000 0.844 124 L CB -0.058 41.627 42.059 -0.624 0.000 0.970 124 L HN 0.147 nan 8.230 nan 0.000 0.457 125 K N 0.674 120.767 120.400 -0.511 0.000 3.127 125 K HA 0.203 4.523 4.320 -0.000 0.000 0.236 125 K C 0.063 176.360 176.600 -0.504 0.000 1.271 125 K CA -0.105 55.651 56.287 -0.885 0.000 1.224 125 K CB 0.716 32.835 32.500 -0.635 0.000 1.482 125 K HN -0.045 nan 8.250 nan 0.000 0.435 126 S N 1.869 117.414 115.700 -0.259 0.000 2.586 126 S HA 0.275 4.745 4.470 -0.000 0.000 0.274 126 S C -2.453 172.135 174.600 -0.019 0.000 1.281 126 S CA -1.528 56.494 58.200 -0.297 0.000 1.035 126 S CB 0.690 63.855 63.200 -0.058 0.000 0.962 126 S HN 0.105 nan 8.310 nan 0.000 0.512 127 P HA 0.053 nan 4.420 nan 0.000 0.257 127 P C 0.647 177.970 177.300 0.038 0.000 1.153 127 P CA 1.451 64.558 63.100 0.012 0.000 0.762 127 P CB -0.027 31.689 31.700 0.026 0.000 0.743 128 G N 2.385 111.172 108.800 -0.022 0.000 2.175 128 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.244 128 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.244 128 G C -0.014 174.795 174.900 -0.152 0.000 0.982 128 G CA -0.237 44.799 45.100 -0.106 0.000 0.641 128 G HN 0.672 nan 8.290 nan 0.000 0.527 129 W N 0.786 121.999 121.300 -0.144 0.000 2.210 129 W HA 0.735 5.395 4.660 -0.000 0.000 0.330 129 W C -0.309 176.047 176.519 -0.271 0.000 1.334 129 W CA -0.328 56.927 57.345 -0.150 0.000 1.227 129 W CB 0.635 30.084 29.460 -0.019 0.000 1.178 129 W HN 0.121 nan 8.180 nan 0.000 0.560 130 K N 4.710 124.896 120.400 -0.357 0.000 2.463 130 K HA 0.143 4.463 4.320 -0.000 0.000 0.255 130 K C 1.203 177.639 176.600 -0.273 0.000 0.942 130 K CA -0.665 55.249 56.287 -0.622 0.000 0.814 130 K CB 1.397 33.290 32.500 -1.013 0.000 1.122 130 K HN 0.545 nan 8.250 nan 0.000 0.425 131 K N 1.902 122.217 120.400 -0.141 0.000 2.173 131 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 131 K C -0.065 176.591 176.600 0.094 0.000 1.046 131 K CA 1.811 58.228 56.287 0.216 0.000 0.929 131 K CB 0.022 32.641 32.500 0.198 0.000 0.720 131 K HN 0.471 nan 8.250 nan 0.000 0.453 132 D N -0.272 120.093 120.400 -0.059 0.000 2.348 132 D HA -0.098 4.542 4.640 -0.000 0.000 0.216 132 D C 1.044 177.427 176.300 0.138 0.000 0.970 132 D CA 0.673 54.668 54.000 -0.008 0.000 0.889 132 D CB -0.091 40.656 40.800 -0.088 0.000 0.912 132 D HN 0.416 nan 8.370 nan 0.000 0.524 133 W N 0.438 121.628 121.300 -0.185 0.000 2.996 133 W HA 0.058 4.718 4.660 -0.000 0.000 0.270 133 W C 0.594 176.977 176.519 -0.226 0.000 1.280 133 W CA -0.108 57.095 57.345 -0.236 0.000 1.549 133 W CB -0.408 28.892 29.460 -0.267 0.000 1.079 133 W HN 0.020 nan 8.180 nan 0.000 0.629 134 H N 0.948 120.139 119.070 0.201 0.000 2.923 134 H HA 0.232 4.787 4.556 -0.000 0.000 0.251 134 H C 0.418 175.743 175.328 -0.005 0.000 1.741 134 H CA -0.062 56.032 56.048 0.076 0.000 1.387 134 H CB -0.741 29.162 29.762 0.235 0.000 1.740 134 H HN -0.122 nan 8.280 nan 0.000 0.544 135 I N 0.833 121.339 120.570 -0.108 0.000 2.662 135 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 135 I C 1.165 177.266 176.117 -0.028 0.000 1.046 135 I CA -0.002 61.277 61.300 -0.035 0.000 1.361 135 I CB 1.414 39.375 38.000 -0.065 0.000 1.429 135 I HN 0.454 nan 8.210 nan 0.000 0.558 136 G N 3.682 112.598 108.800 0.193 0.000 2.695 136 G HA2 0.662 4.622 3.960 -0.000 0.000 0.290 136 G HA3 0.662 4.622 3.960 -0.000 0.000 0.290 136 G C -1.724 173.283 174.900 0.179 0.000 1.410 136 G CA -0.376 44.860 45.100 0.226 0.000 0.844 136 G HN 0.358 nan 8.290 nan 0.000 0.478 137 V N 0.218 120.157 119.914 0.042 0.000 2.656 137 V HA 0.691 4.811 4.120 -0.000 0.000 0.307 137 V C -0.237 175.842 176.094 -0.025 0.000 1.051 137 V CA -0.836 61.387 62.300 -0.127 0.000 0.893 137 V CB 1.875 33.474 31.823 -0.373 0.000 0.999 137 V HN 0.782 nan 8.190 nan 0.000 0.426 138 R N 1.855 122.358 120.500 0.004 0.000 2.795 138 R HA 0.696 5.035 4.340 -0.000 0.000 0.275 138 R C -1.288 175.062 176.300 0.083 0.000 0.981 138 R CA -0.927 55.199 56.100 0.043 0.000 0.917 138 R CB 2.518 32.831 30.300 0.021 0.000 1.202 138 R HN 0.514 nan 8.270 nan 0.000 0.469 139 V N 3.189 123.122 119.914 0.032 0.000 2.673 139 V HA -0.063 4.057 4.120 -0.000 0.000 0.303 139 V C 1.565 177.600 176.094 -0.098 0.000 1.046 139 V CA 0.359 62.598 62.300 -0.101 0.000 1.126 139 V CB 0.774 32.513 31.823 -0.140 0.000 0.934 139 V HN 0.757 nan 8.190 nan 0.000 0.487 140 K N 2.685 122.999 120.400 -0.143 0.000 1.987 140 K HA -0.172 4.148 4.320 -0.000 0.000 0.216 140 K C 2.055 178.609 176.600 -0.077 0.000 1.051 140 K CA 1.807 58.037 56.287 -0.095 0.000 0.942 140 K CB -0.064 32.371 32.500 -0.108 0.000 0.722 140 K HN 0.695 nan 8.250 nan 0.000 0.444 141 E N -0.234 119.909 120.200 -0.095 0.000 2.051 141 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 141 E C 2.164 178.729 176.600 -0.059 0.000 0.991 141 E CA 1.951 58.307 56.400 -0.073 0.000 0.799 141 E CB -0.284 29.368 29.700 -0.081 0.000 0.748 141 E HN 0.509 nan 8.360 nan 0.000 0.449 142 T N -2.172 112.342 114.554 -0.067 0.000 3.054 142 T HA -0.038 4.312 4.350 -0.000 0.000 0.259 142 T C 0.839 175.514 174.700 -0.041 0.000 1.092 142 T CA 0.441 62.509 62.100 -0.053 0.000 1.121 142 T CB 0.287 69.118 68.868 -0.061 0.000 0.912 142 T HN -0.071 nan 8.240 nan 0.000 0.489 143 Q N -0.144 119.632 119.800 -0.040 0.000 2.465 143 Q HA -0.136 4.204 4.340 -0.000 0.000 0.248 143 Q C -0.127 175.859 176.000 -0.024 0.000 0.819 143 Q CA 0.769 56.557 55.803 -0.025 0.000 1.219 143 Q CB -1.942 26.785 28.738 -0.018 0.000 1.472 143 Q HN 0.738 nan 8.270 nan 0.000 0.630 144 K N 1.177 121.556 120.400 -0.034 0.000 2.379 144 K HA 0.220 4.540 4.320 -0.000 0.000 0.284 144 K C 0.070 176.657 176.600 -0.021 0.000 1.044 144 K CA -0.334 55.931 56.287 -0.037 0.000 0.974 144 K CB 0.290 32.752 32.500 -0.063 0.000 0.962 144 K HN 0.075 nan 8.250 nan 0.000 0.474 145 L N 6.873 128.089 121.223 -0.012 0.000 2.456 145 L HA 0.025 4.365 4.340 -0.000 0.000 0.277 145 L C 0.454 177.337 176.870 0.022 0.000 1.124 145 L CA 0.412 55.258 54.840 0.010 0.000 0.880 145 L CB 1.003 43.062 42.059 -0.000 0.000 1.192 145 L HN 0.584 nan 8.230 nan 0.000 0.463 146 V N 2.296 122.224 119.914 0.024 0.000 3.605 146 V HA 0.788 4.908 4.120 -0.000 0.000 0.284 146 V C 0.487 176.614 176.094 0.056 0.000 1.386 146 V CA 0.479 62.794 62.300 0.025 0.000 1.053 146 V CB -0.433 31.384 31.823 -0.009 0.000 0.857 146 V HN 0.901 nan 8.190 nan 0.000 0.436 147 A N -0.047 122.804 122.820 0.052 0.000 2.594 147 A HA 0.827 5.147 4.320 -0.000 0.000 0.296 147 A C -1.755 175.939 177.584 0.182 0.000 1.061 147 A CA -0.419 51.659 52.037 0.068 0.000 0.689 147 A CB 2.084 21.043 19.000 -0.069 0.000 1.280 147 A HN 0.756 nan 8.150 nan 0.000 0.406 148 F N 0.888 120.850 119.950 0.020 0.000 2.628 148 F HA 0.799 5.326 4.527 -0.001 0.000 0.309 148 F C -1.480 174.357 175.800 0.061 0.000 1.108 148 F CA -0.557 57.461 58.000 0.030 0.000 0.971 148 F CB 1.444 40.431 39.000 -0.021 0.000 1.279 148 F HN 0.738 nan 8.300 nan 0.000 0.441 149 I N 3.718 123.857 120.570 -0.718 0.000 2.827 149 I HA 0.573 4.742 4.170 -0.000 0.000 0.298 149 I C -1.600 174.054 176.117 -0.771 0.000 1.235 149 I CA -0.203 60.796 61.300 -0.502 0.000 1.021 149 I CB 2.176 40.047 38.000 -0.215 0.000 1.259 149 I HN 0.597 nan 8.210 nan 0.000 0.427 150 S N 4.742 120.241 115.700 -0.336 0.000 2.568 150 S HA 0.946 5.416 4.470 -0.000 0.000 0.293 150 S C -1.113 173.479 174.600 -0.015 0.000 1.089 150 S CA -0.230 57.925 58.200 -0.075 0.000 0.945 150 S CB 1.784 65.180 63.200 0.327 0.000 1.077 150 S HN 0.821 nan 8.310 nan 0.000 0.485 151 A N 3.093 125.917 122.820 0.006 0.000 2.393 151 A HA 0.843 5.163 4.320 -0.000 0.000 0.306 151 A C -0.833 176.815 177.584 0.106 0.000 1.050 151 A CA -0.823 51.153 52.037 -0.102 0.000 0.724 151 A CB 0.762 19.478 19.000 -0.474 0.000 1.248 151 A HN 1.137 nan 8.150 nan 0.000 0.424 152 I N -0.242 120.390 120.570 0.104 0.000 2.686 152 I HA 0.707 4.876 4.170 -0.000 0.000 0.295 152 I C -2.932 173.304 176.117 0.198 0.000 1.114 152 I CA -2.685 58.764 61.300 0.247 0.000 1.038 152 I CB 2.899 41.026 38.000 0.212 0.000 1.238 152 I HN 0.331 nan 8.210 nan 0.000 0.420 153 P HA 0.340 nan 4.420 nan 0.000 0.280 153 P C -0.859 176.508 177.300 0.111 0.000 1.244 153 P CA -0.192 63.055 63.100 0.246 0.000 0.784 153 P CB 1.632 33.519 31.700 0.311 0.000 0.913 154 V N -0.528 119.425 119.914 0.066 0.000 3.048 154 V HA 0.629 4.748 4.120 -0.000 0.000 0.303 154 V C -0.258 175.850 176.094 0.023 0.000 1.214 154 V CA -0.942 61.366 62.300 0.014 0.000 0.984 154 V CB 1.427 33.232 31.823 -0.030 0.000 1.054 154 V HN 0.641 nan 8.190 nan 0.000 0.430 155 T N 2.284 116.844 114.554 0.009 0.000 2.743 155 T HA 0.710 5.060 4.350 -0.000 0.000 0.293 155 T C -0.233 174.467 174.700 -0.000 0.000 0.945 155 T CA -0.451 61.663 62.100 0.025 0.000 1.030 155 T CB 0.471 69.365 68.868 0.043 0.000 0.912 155 T HN 0.734 nan 8.240 nan 0.000 0.483 156 L N 3.318 124.541 121.223 0.000 0.000 2.375 156 L HA 0.638 4.977 4.340 -0.000 0.000 0.271 156 L C 1.083 177.937 176.870 -0.026 0.000 1.107 156 L CA -1.043 53.789 54.840 -0.015 0.000 0.806 156 L CB 0.992 43.032 42.059 -0.032 0.000 1.146 156 L HN 0.918 nan 8.230 nan 0.000 0.447 157 G N 1.771 110.565 108.800 -0.009 0.000 2.468 157 G HA2 0.497 4.457 3.960 -0.000 0.000 0.320 157 G HA3 0.497 4.457 3.960 -0.000 0.000 0.320 157 G C -0.667 174.218 174.900 -0.025 0.000 1.137 157 G CA -0.227 44.867 45.100 -0.010 0.000 0.984 157 G HN 0.306 nan 8.290 nan 0.000 0.462 158 V N 3.647 123.523 119.914 -0.063 0.000 2.277 158 V HA 0.370 4.490 4.120 -0.000 0.000 0.269 158 V C 0.795 176.898 176.094 0.014 0.000 1.036 158 V CA -0.887 61.379 62.300 -0.058 0.000 0.821 158 V CB 0.250 31.952 31.823 -0.200 0.000 1.052 158 V HN 0.966 nan 8.190 nan 0.000 0.462 159 R N 3.838 124.352 120.500 0.022 0.000 2.837 159 R HA -0.236 4.103 4.340 -0.000 0.000 0.264 159 R C 1.429 177.745 176.300 0.027 0.000 0.906 159 R CA 0.683 56.800 56.100 0.029 0.000 0.711 159 R CB -1.211 29.114 30.300 0.041 0.000 1.701 159 R HN 1.426 nan 8.270 nan 0.000 0.514 160 G N 0.406 109.213 108.800 0.013 0.000 2.322 160 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.264 160 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.264 160 G C 0.160 175.072 174.900 0.020 0.000 0.992 160 G CA 1.083 46.189 45.100 0.011 0.000 0.624 160 G HN 0.516 nan 8.290 nan 0.000 0.543 161 K N 0.886 121.305 120.400 0.032 0.000 2.201 161 K HA 0.610 4.930 4.320 -0.000 0.000 0.278 161 K C 0.152 176.763 176.600 0.019 0.000 1.027 161 K CA -0.507 55.807 56.287 0.044 0.000 0.909 161 K CB 1.058 33.616 32.500 0.095 0.000 1.062 161 K HN 0.134 nan 8.250 nan 0.000 0.465 162 Q N 3.124 122.944 119.800 0.034 0.000 2.369 162 Q HA 0.237 4.577 4.340 -0.000 0.000 0.247 162 Q C -1.331 174.691 176.000 0.038 0.000 1.083 162 Q CA -0.244 55.579 55.803 0.033 0.000 0.905 162 Q CB 0.595 29.363 28.738 0.049 0.000 1.305 162 Q HN 0.448 nan 8.270 nan 0.000 0.465 163 V N 7.778 127.687 119.914 -0.008 0.000 2.328 163 V HA 0.390 4.510 4.120 -0.000 0.000 0.278 163 V C -2.238 173.904 176.094 0.080 0.000 1.021 163 V CA -2.016 60.279 62.300 -0.008 0.000 0.838 163 V CB 1.267 32.936 31.823 -0.256 0.000 0.999 163 V HN 0.733 nan 8.190 nan 0.000 0.447 164 P HA 0.373 nan 4.420 nan 0.000 0.286 164 P C -0.440 176.969 177.300 0.180 0.000 1.321 164 P CA 0.129 63.322 63.100 0.154 0.000 0.790 164 P CB 0.868 32.664 31.700 0.161 0.000 0.897 165 S N 2.019 117.787 115.700 0.115 0.000 2.840 165 S HA 0.729 5.199 4.470 -0.000 0.000 0.307 165 S C -0.801 173.810 174.600 0.019 0.000 1.180 165 S CA -0.876 57.383 58.200 0.098 0.000 0.846 165 S CB 1.286 64.571 63.200 0.142 0.000 1.233 165 S HN 0.234 nan 8.310 nan 0.000 0.548 166 V N 0.285 120.182 119.914 -0.027 0.000 2.876 166 V HA 0.508 4.628 4.120 -0.000 0.000 0.312 166 V C -1.470 174.602 176.094 -0.036 0.000 1.085 166 V CA -0.646 61.589 62.300 -0.108 0.000 0.945 166 V CB 2.030 33.622 31.823 -0.385 0.000 1.017 166 V HN 0.939 nan 8.190 nan 0.000 0.428 167 E N 4.389 124.581 120.200 -0.014 0.000 2.073 167 E HA 0.384 4.733 4.350 -0.000 0.000 0.269 167 E C -1.103 175.500 176.600 0.005 0.000 0.917 167 E CA -0.513 55.910 56.400 0.037 0.000 0.757 167 E CB 1.526 31.267 29.700 0.069 0.000 1.111 167 E HN 0.437 nan 8.360 nan 0.000 0.410 168 I N 3.832 124.408 120.570 0.010 0.000 2.416 168 I HA 0.096 4.266 4.170 -0.000 0.000 0.288 168 I C 0.307 176.421 176.117 -0.005 0.000 1.051 168 I CA 0.319 61.604 61.300 -0.026 0.000 1.375 168 I CB 0.252 38.212 38.000 -0.067 0.000 1.407 168 I HN 0.399 nan 8.210 nan 0.000 0.516 169 N N 4.577 123.237 118.700 -0.068 0.000 2.610 169 N HA 0.426 5.166 4.740 -0.000 0.000 0.264 169 N C -0.504 174.928 175.510 -0.131 0.000 1.348 169 N CA -0.586 52.302 53.050 -0.270 0.000 0.819 169 N CB 1.612 39.687 38.487 -0.686 0.000 1.521 169 N HN 0.428 nan 8.380 nan 0.000 0.497 170 F N -1.256 118.849 119.950 0.259 0.000 3.043 170 F HA -0.244 4.283 4.527 -0.001 0.000 0.290 170 F C 0.340 176.326 175.800 0.311 0.000 0.844 170 F CA -0.293 57.869 58.000 0.269 0.000 1.184 170 F CB -1.325 37.799 39.000 0.207 0.000 1.246 170 F HN 0.283 nan 8.300 nan 0.000 0.536 171 L N 1.648 123.078 121.223 0.346 0.000 2.513 171 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 171 L C 0.108 177.210 176.870 0.386 0.000 1.187 171 L CA -0.070 54.925 54.840 0.259 0.000 0.895 171 L CB 0.879 43.024 42.059 0.144 0.000 1.147 171 L HN 0.414 nan 8.230 nan 0.000 0.483 172 C N 5.082 124.571 119.300 0.314 0.000 2.931 172 C HA 0.694 5.153 4.460 -0.000 0.000 0.370 172 C C -1.154 173.944 174.990 0.181 0.000 1.071 172 C CA -0.622 58.587 59.018 0.319 0.000 1.266 172 C CB 1.097 29.084 27.740 0.412 0.000 1.691 172 C HN 0.657 nan 8.230 nan 0.000 0.511 173 V N 5.590 125.572 119.914 0.113 0.000 2.482 173 V HA 0.348 4.468 4.120 -0.000 0.000 0.295 173 V C 0.033 176.178 176.094 0.084 0.000 1.026 173 V CA -0.387 61.949 62.300 0.059 0.000 0.856 173 V CB 1.330 33.135 31.823 -0.030 0.000 1.001 173 V HN 1.004 nan 8.190 nan 0.000 0.424 174 H N 4.258 123.341 119.070 0.021 0.000 3.195 174 H HA -0.111 4.445 4.556 -0.000 0.000 0.302 174 H C 1.522 176.857 175.328 0.012 0.000 0.950 174 H CA 1.157 57.222 56.048 0.028 0.000 1.398 174 H CB 0.836 30.614 29.762 0.028 0.000 1.377 174 H HN 0.760 nan 8.280 nan 0.000 0.572 175 K N 3.153 123.400 120.400 -0.256 0.000 2.152 175 K HA -0.219 4.100 4.320 -0.000 0.000 0.206 175 K C 1.422 178.023 176.600 0.002 0.000 1.048 175 K CA 1.568 57.783 56.287 -0.120 0.000 0.933 175 K CB 0.096 32.504 32.500 -0.153 0.000 0.721 175 K HN 0.565 nan 8.250 nan 0.000 0.447 176 Q N 0.859 120.743 119.800 0.141 0.000 2.291 176 Q HA -0.016 4.324 4.340 -0.000 0.000 0.205 176 Q C 1.410 177.500 176.000 0.150 0.000 0.970 176 Q CA 1.095 57.016 55.803 0.197 0.000 0.876 176 Q CB 0.077 28.998 28.738 0.305 0.000 0.935 176 Q HN 0.664 nan 8.270 nan 0.000 0.455 177 L N -2.587 118.731 121.223 0.158 0.000 3.255 177 L HA 0.492 4.832 4.340 -0.000 0.000 0.293 177 L C 0.184 177.061 176.870 0.013 0.000 1.302 177 L CA -0.529 54.358 54.840 0.078 0.000 0.977 177 L CB 0.509 42.624 42.059 0.093 0.000 1.390 177 L HN -0.248 nan 8.230 nan 0.000 0.588 178 R N 0.073 120.576 120.500 0.005 0.000 2.637 178 R HA 0.376 4.716 4.340 -0.000 0.000 0.269 178 R C 0.721 176.986 176.300 -0.058 0.000 1.089 178 R CA 0.333 56.403 56.100 -0.050 0.000 1.177 178 R CB 0.861 31.128 30.300 -0.054 0.000 1.091 178 R HN 0.466 nan 8.270 nan 0.000 0.540 179 S N 0.380 116.016 115.700 -0.106 0.000 3.561 179 S HA -0.099 4.370 4.470 -0.000 0.000 0.318 179 S C 0.009 174.575 174.600 -0.057 0.000 1.181 179 S CA 1.032 59.185 58.200 -0.079 0.000 0.916 179 S CB -0.673 62.518 63.200 -0.014 0.000 0.966 179 S HN 0.539 nan 8.310 nan 0.000 0.550 180 K N 0.781 121.131 120.400 -0.082 0.000 2.681 180 K HA 0.248 4.568 4.320 -0.000 0.000 0.211 180 K C 0.591 177.131 176.600 -0.101 0.000 1.075 180 K CA -0.490 55.753 56.287 -0.072 0.000 1.141 180 K CB 0.176 32.635 32.500 -0.069 0.000 0.896 180 K HN 0.238 nan 8.250 nan 0.000 0.470 181 R N 0.916 121.351 120.500 -0.108 0.000 3.211 181 R HA -0.196 4.143 4.340 -0.000 0.000 0.240 181 R C 0.820 177.011 176.300 -0.182 0.000 0.915 181 R CA 0.201 56.219 56.100 -0.136 0.000 0.621 181 R CB -1.844 28.403 30.300 -0.089 0.000 1.008 181 R HN 0.245 nan 8.270 nan 0.000 0.471 182 L N -1.108 119.990 121.223 -0.207 0.000 2.513 182 L HA 0.101 4.441 4.340 -0.000 0.000 0.222 182 L C 1.748 178.474 176.870 -0.241 0.000 1.096 182 L CA 1.519 56.215 54.840 -0.240 0.000 0.857 182 L CB 0.092 41.978 42.059 -0.289 0.000 1.026 182 L HN 0.130 nan 8.230 nan 0.000 0.469 183 T N 1.025 115.426 114.554 -0.255 0.000 2.746 183 T HA -0.054 4.295 4.350 -0.000 0.000 0.267 183 T C -0.624 173.816 174.700 -0.434 0.000 1.039 183 T CA 1.773 63.709 62.100 -0.273 0.000 1.142 183 T CB -0.767 67.962 68.868 -0.233 0.000 0.866 183 T HN 0.261 nan 8.240 nan 0.000 0.444 184 P HA -0.056 nan 4.420 nan 0.000 0.215 184 P C 1.658 178.642 177.300 -0.526 0.000 1.157 184 P CA 0.737 63.179 63.100 -1.097 0.000 0.874 184 P CB -0.262 30.835 31.700 -1.004 0.000 0.790 185 V N -0.749 119.002 119.914 -0.272 0.000 2.295 185 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 185 V C 2.490 178.621 176.094 0.062 0.000 1.049 185 V CA 1.684 63.953 62.300 -0.051 0.000 1.024 185 V CB -1.428 30.403 31.823 0.013 0.000 0.648 185 V HN 0.039 nan 8.190 nan 0.000 0.447 186 L N -0.670 120.575 121.223 0.037 0.000 1.989 186 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 186 L C 2.400 179.204 176.870 -0.110 0.000 1.071 186 L CA 1.903 56.793 54.840 0.083 0.000 0.749 186 L CB -0.519 41.539 42.059 -0.002 0.000 0.890 186 L HN 0.219 nan 8.230 nan 0.000 0.431 187 I N -0.465 119.982 120.570 -0.205 0.000 2.127 187 I HA -0.363 3.807 4.170 -0.000 0.000 0.241 187 I C 2.582 178.560 176.117 -0.233 0.000 1.075 187 I CA 1.557 62.707 61.300 -0.250 0.000 1.334 187 I CB -0.261 37.573 38.000 -0.276 0.000 1.040 187 I HN 0.198 nan 8.210 nan 0.000 0.405 188 K N 0.128 120.432 120.400 -0.161 0.000 2.032 188 K HA -0.279 4.040 4.320 -0.000 0.000 0.209 188 K C 2.075 178.560 176.600 -0.191 0.000 1.048 188 K CA 1.910 58.132 56.287 -0.108 0.000 0.927 188 K CB -0.182 32.297 32.500 -0.036 0.000 0.712 188 K HN 0.170 nan 8.250 nan 0.000 0.441 189 E N 1.274 121.322 120.200 -0.254 0.000 2.106 189 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 189 E C 1.683 178.031 176.600 -0.420 0.000 0.984 189 E CA 0.919 57.058 56.400 -0.435 0.000 0.806 189 E CB -0.124 29.064 29.700 -0.854 0.000 0.750 189 E HN 0.210 nan 8.360 nan 0.000 0.458 190 I N 0.337 120.682 120.570 -0.374 0.000 2.617 190 I HA -0.147 4.023 4.170 -0.000 0.000 0.256 190 I C 1.170 177.026 176.117 -0.435 0.000 1.167 190 I CA 1.258 62.324 61.300 -0.390 0.000 1.469 190 I CB -0.576 37.206 38.000 -0.363 0.000 1.098 190 I HN 0.169 nan 8.210 nan 0.000 0.436 191 T N 1.040 115.356 114.554 -0.397 0.000 2.708 191 T HA -0.211 4.138 4.350 -0.000 0.000 0.266 191 T C 1.959 176.479 174.700 -0.299 0.000 1.037 191 T CA 1.411 63.278 62.100 -0.389 0.000 1.146 191 T CB -0.348 68.324 68.868 -0.327 0.000 0.865 191 T HN 0.362 nan 8.240 nan 0.000 0.435 192 R N 1.118 121.472 120.500 -0.243 0.000 2.094 192 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 192 R C 2.552 178.728 176.300 -0.206 0.000 1.137 192 R CA 1.520 57.504 56.100 -0.194 0.000 0.943 192 R CB -0.114 30.073 30.300 -0.189 0.000 0.850 192 R HN 0.319 nan 8.270 nan 0.000 0.433 193 R N -0.247 120.118 120.500 -0.225 0.000 2.148 193 R HA -0.058 4.282 4.340 -0.000 0.000 0.227 193 R C 2.115 178.387 176.300 -0.047 0.000 1.103 193 R CA 1.275 57.312 56.100 -0.105 0.000 0.983 193 R CB 0.044 30.317 30.300 -0.045 0.000 0.874 193 R HN 0.202 nan 8.270 nan 0.000 0.451 194 V N 0.607 120.318 119.914 -0.339 0.000 2.725 194 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 194 V C 1.530 177.349 176.094 -0.459 0.000 1.058 194 V CA 1.282 63.306 62.300 -0.461 0.000 1.080 194 V CB -0.519 30.827 31.823 -0.797 0.000 0.713 194 V HN 0.342 nan 8.190 nan 0.000 0.465 195 N N 0.276 118.663 118.700 -0.522 0.000 2.223 195 N HA -0.150 4.589 4.740 -0.000 0.000 0.185 195 N C 1.705 176.863 175.510 -0.588 0.000 1.016 195 N CA 0.638 53.187 53.050 -0.834 0.000 0.863 195 N CB -0.065 38.137 38.487 -0.475 0.000 0.983 195 N HN 0.186 nan 8.380 nan 0.000 0.429 196 K N 0.567 120.808 120.400 -0.266 0.000 2.555 196 K HA 0.056 4.376 4.320 -0.000 0.000 0.193 196 K C 0.100 176.646 176.600 -0.090 0.000 1.032 196 K CA 0.356 56.569 56.287 -0.122 0.000 1.004 196 K CB -0.145 32.312 32.500 -0.072 0.000 0.804 196 K HN 0.277 nan 8.250 nan 0.000 0.496 197 C N 0.504 119.728 119.300 -0.127 0.000 3.098 197 C HA 0.182 4.642 4.460 -0.000 0.000 0.265 197 C C -0.098 174.833 174.990 -0.098 0.000 1.572 197 C CA -0.765 58.224 59.018 -0.050 0.000 1.788 197 C CB -0.630 27.167 27.740 0.094 0.000 2.982 197 C HN 0.437 nan 8.230 nan 0.000 0.532 198 D N 1.179 121.444 120.400 -0.224 0.000 2.870 198 D HA -0.128 4.512 4.640 -0.000 0.000 0.228 198 D C -0.416 175.680 176.300 -0.339 0.000 1.147 198 D CA 0.842 54.767 54.000 -0.125 0.000 0.757 198 D CB -0.651 40.232 40.800 0.139 0.000 1.091 198 D HN 0.342 nan 8.370 nan 0.000 0.429 199 I N -0.571 119.537 120.570 -0.771 0.000 2.465 199 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 199 I C 0.567 176.107 176.117 -0.961 0.000 1.014 199 I CA -0.488 60.457 61.300 -0.591 0.000 1.093 199 I CB 1.375 39.207 38.000 -0.280 0.000 1.267 199 I HN 0.058 nan 8.210 nan 0.000 0.431 200 W N 3.829 124.974 121.300 -0.260 0.000 2.518 200 W HA 0.259 4.918 4.660 -0.001 0.000 0.352 200 W C 0.391 176.610 176.519 -0.500 0.000 0.952 200 W CA -0.068 57.043 57.345 -0.389 0.000 1.624 200 W CB 0.415 29.603 29.460 -0.454 0.000 1.135 200 W HN 0.390 nan 8.180 nan 0.000 0.540 201 H N -0.152 119.084 119.070 0.277 0.000 2.946 201 H HA 0.832 5.388 4.556 -0.000 0.000 0.365 201 H C -0.599 174.833 175.328 0.173 0.000 1.197 201 H CA -1.119 55.107 56.048 0.297 0.000 1.131 201 H CB 1.611 31.508 29.762 0.225 0.000 1.849 201 H HN -0.181 nan 8.280 nan 0.000 0.555 202 A N 1.223 124.276 122.820 0.389 0.000 2.587 202 A HA 0.520 4.840 4.320 -0.000 0.000 0.293 202 A C -1.713 176.068 177.584 0.329 0.000 1.087 202 A CA -0.628 51.559 52.037 0.249 0.000 0.692 202 A CB 2.106 21.186 19.000 0.132 0.000 1.291 202 A HN 0.401 nan 8.150 nan 0.000 0.407 203 L N 2.144 123.520 121.223 0.254 0.000 2.298 203 L HA 0.774 5.114 4.340 -0.000 0.000 0.284 203 L C -1.307 175.758 176.870 0.325 0.000 1.013 203 L CA -0.399 54.597 54.840 0.260 0.000 0.824 203 L CB 0.770 42.939 42.059 0.183 0.000 1.221 203 L HN 0.711 nan 8.230 nan 0.000 0.418 204 Y N 1.630 122.053 120.300 0.205 0.000 2.462 204 Y HA 0.893 5.442 4.550 -0.000 0.000 0.346 204 Y C -0.395 175.649 175.900 0.240 0.000 0.976 204 Y CA -1.031 57.176 58.100 0.178 0.000 1.044 204 Y CB 1.172 39.728 38.460 0.160 0.000 1.230 204 Y HN 0.654 nan 8.280 nan 0.000 0.455 205 T N 0.416 115.071 114.554 0.169 0.000 2.863 205 T HA 0.972 5.322 4.350 -0.000 0.000 0.285 205 T C -0.631 174.172 174.700 0.172 0.000 1.009 205 T CA -0.336 61.779 62.100 0.025 0.000 0.989 205 T CB 1.595 70.278 68.868 -0.307 0.000 1.004 205 T HN 1.443 nan 8.240 nan 0.000 0.455 206 A N 1.004 123.964 122.820 0.234 0.000 2.594 206 A HA 0.859 5.178 4.320 -0.000 0.000 0.291 206 A C 0.977 178.708 177.584 0.245 0.000 1.105 206 A CA -0.486 51.707 52.037 0.260 0.000 0.694 206 A CB 1.005 20.183 19.000 0.298 0.000 1.291 206 A HN 1.183 nan 8.150 nan 0.000 0.410 207 G N 0.004 108.952 108.800 0.247 0.000 2.551 207 G HA2 0.281 4.241 3.960 -0.000 0.000 0.216 207 G HA3 0.281 4.241 3.960 -0.000 0.000 0.216 207 G C 0.748 175.801 174.900 0.254 0.000 1.137 207 G CA 1.033 46.290 45.100 0.262 0.000 0.798 207 G HN 1.114 nan 8.290 nan 0.000 0.536 208 I N -1.208 119.512 120.570 0.250 0.000 2.612 208 I HA 0.547 4.717 4.170 -0.000 0.000 0.295 208 I C -0.430 175.844 176.117 0.261 0.000 1.011 208 I CA -1.007 60.428 61.300 0.226 0.000 1.326 208 I CB 1.791 39.930 38.000 0.232 0.000 1.427 208 I HN -0.273 nan 8.210 nan 0.000 0.537 209 V N 6.652 126.700 119.914 0.223 0.000 2.372 209 V HA 0.329 4.449 4.120 -0.000 0.000 0.261 209 V C 0.329 176.595 176.094 0.286 0.000 1.055 209 V CA -0.140 62.326 62.300 0.277 0.000 0.930 209 V CB 0.188 32.120 31.823 0.181 0.000 1.031 209 V HN 0.527 nan 8.190 nan 0.000 0.479 210 L N 7.040 128.403 121.223 0.235 0.000 2.313 210 L HA 0.579 4.919 4.340 -0.000 0.000 0.268 210 L C -2.197 174.610 176.870 -0.105 0.000 1.010 210 L CA -2.162 52.617 54.840 -0.100 0.000 0.814 210 L CB 2.125 43.764 42.059 -0.700 0.000 1.304 210 L HN 0.331 nan 8.230 nan 0.000 0.441 211 P HA 0.130 nan 4.420 nan 0.000 0.264 211 P C -0.205 176.752 177.300 -0.571 0.000 1.537 211 P CA 0.351 62.840 63.100 -1.018 0.000 1.189 211 P CB 0.580 31.822 31.700 -0.763 0.000 1.687 212 A N 3.727 126.373 122.820 -0.289 0.000 2.354 212 A HA 0.150 4.470 4.320 -0.000 0.000 0.222 212 A C -2.693 174.915 177.584 0.039 0.000 2.884 212 A CA -0.453 51.543 52.037 -0.069 0.000 1.651 212 A CB -1.131 17.888 19.000 0.031 0.000 0.182 212 A HN 0.220 nan 8.150 nan 0.000 0.614 213 P HA 0.134 nan 4.420 nan 0.000 0.258 213 P C 0.996 178.189 177.300 -0.179 0.000 1.214 213 P CA 0.695 63.611 63.100 -0.307 0.000 0.872 213 P CB 1.016 32.655 31.700 -0.100 0.000 0.890 214 V N 2.581 122.377 119.914 -0.197 0.000 3.306 214 V HA 0.020 4.140 4.120 -0.000 0.000 0.264 214 V C 0.756 176.793 176.094 -0.095 0.000 1.149 214 V CA 1.521 63.764 62.300 -0.094 0.000 1.143 214 V CB 0.042 31.836 31.823 -0.048 0.000 0.767 214 V HN 0.567 nan 8.190 nan 0.000 0.476 215 S N -1.866 113.771 115.700 -0.105 0.000 2.595 215 S HA 0.574 5.043 4.470 -0.000 0.000 0.270 215 S C -1.011 173.617 174.600 0.046 0.000 1.145 215 S CA -0.215 57.946 58.200 -0.065 0.000 0.825 215 S CB 2.236 65.314 63.200 -0.203 0.000 1.107 215 S HN 0.252 nan 8.310 nan 0.000 0.461 216 T N 1.794 116.388 114.554 0.066 0.000 3.109 216 T HA 0.553 4.903 4.350 -0.000 0.000 0.311 216 T C -0.986 173.810 174.700 0.159 0.000 1.011 216 T CA -0.448 61.733 62.100 0.135 0.000 1.026 216 T CB 0.589 69.481 68.868 0.039 0.000 1.047 216 T HN 0.706 nan 8.240 nan 0.000 0.448 217 C N 1.891 121.341 119.300 0.249 0.000 2.630 217 C HA 0.816 5.276 4.460 -0.000 0.000 0.346 217 C C 0.249 175.324 174.990 0.142 0.000 1.245 217 C CA -1.072 58.042 59.018 0.159 0.000 1.804 217 C CB 1.678 29.510 27.740 0.153 0.000 2.279 217 C HN 0.967 nan 8.230 nan 0.000 0.498 218 R N 0.106 120.632 120.500 0.042 0.000 2.562 218 R HA 0.489 4.829 4.340 -0.000 0.000 0.298 218 R C -1.554 174.652 176.300 -0.157 0.000 0.961 218 R CA -0.326 55.743 56.100 -0.052 0.000 0.881 218 R CB 0.699 30.978 30.300 -0.036 0.000 1.159 218 R HN 0.775 nan 8.270 nan 0.000 0.450 219 Y N 1.855 122.089 120.300 -0.110 0.000 2.411 219 Y HA 0.112 4.662 4.550 -0.001 0.000 0.333 219 Y C 0.830 176.540 175.900 -0.317 0.000 1.186 219 Y CA 0.902 58.917 58.100 -0.141 0.000 1.381 219 Y CB 1.362 39.777 38.460 -0.075 0.000 1.273 219 Y HN 0.626 nan 8.280 nan 0.000 0.546 220 T N -0.085 114.369 114.554 -0.167 0.000 2.896 220 T HA 0.513 4.862 4.350 -0.000 0.000 0.297 220 T C -1.386 173.105 174.700 -0.349 0.000 1.108 220 T CA -1.125 60.803 62.100 -0.286 0.000 1.004 220 T CB 1.696 70.575 68.868 0.019 0.000 1.159 220 T HN 0.553 nan 8.240 nan 0.000 0.499 221 H N 0.969 120.135 119.070 0.161 0.000 2.689 221 H HA 0.499 5.055 4.556 -0.000 0.000 0.346 221 H C -0.595 174.665 175.328 -0.113 0.000 1.037 221 H CA -0.810 55.255 56.048 0.028 0.000 1.234 221 H CB 1.750 31.486 29.762 -0.042 0.000 1.572 221 H HN 0.403 nan 8.280 nan 0.000 0.524 222 R N 3.644 123.984 120.500 -0.266 0.000 2.207 222 R HA 0.295 4.634 4.340 -0.000 0.000 0.334 222 R C -2.864 173.290 176.300 -0.243 0.000 1.013 222 R CA -1.980 53.788 56.100 -0.554 0.000 0.858 222 R CB 0.780 30.316 30.300 -1.273 0.000 1.094 222 R HN 0.378 nan 8.270 nan 0.000 0.457 223 P HA 0.129 nan 4.420 nan 0.000 0.276 223 P C 0.194 177.430 177.300 -0.107 0.000 1.235 223 P CA -0.013 63.053 63.100 -0.056 0.000 0.772 223 P CB 0.764 32.541 31.700 0.129 0.000 0.871 224 L N 1.630 122.772 121.223 -0.133 0.000 2.537 224 L HA 0.254 4.594 4.340 -0.000 0.000 0.224 224 L C 0.958 177.760 176.870 -0.114 0.000 1.065 224 L CA 0.577 55.319 54.840 -0.165 0.000 0.860 224 L CB 0.088 42.016 42.059 -0.219 0.000 1.086 224 L HN 0.376 nan 8.230 nan 0.000 0.482 225 N N -0.681 117.961 118.700 -0.098 0.000 2.750 225 N HA 0.006 4.745 4.740 -0.000 0.000 0.253 225 N C 0.144 175.632 175.510 -0.036 0.000 1.408 225 N CA -0.411 52.597 53.050 -0.071 0.000 0.780 225 N CB 0.567 38.974 38.487 -0.134 0.000 1.191 225 N HN 0.190 nan 8.380 nan 0.000 0.511 226 W N 3.439 124.678 121.300 -0.102 0.000 2.338 226 W HA -0.172 4.487 4.660 -0.000 0.000 0.304 226 W C 2.047 178.550 176.519 -0.028 0.000 1.212 226 W CA 1.681 58.983 57.345 -0.072 0.000 1.264 226 W CB 0.296 29.713 29.460 -0.072 0.000 1.142 226 W HN 0.387 nan 8.180 nan 0.000 0.512 227 K N 1.127 121.648 120.400 0.202 0.000 2.001 227 K HA -0.285 4.035 4.320 -0.000 0.000 0.214 227 K C 2.143 178.670 176.600 -0.122 0.000 1.050 227 K CA 2.505 58.857 56.287 0.108 0.000 0.934 227 K CB -0.793 31.812 32.500 0.175 0.000 0.718 227 K HN 0.122 nan 8.250 nan 0.000 0.443 228 K N 0.171 120.453 120.400 -0.197 0.000 2.063 228 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 228 K C 2.158 178.455 176.600 -0.504 0.000 1.048 228 K CA 1.552 57.547 56.287 -0.487 0.000 0.928 228 K CB -0.230 31.858 32.500 -0.686 0.000 0.713 228 K HN 0.191 nan 8.250 nan 0.000 0.442 229 L N 0.173 121.128 121.223 -0.446 0.000 2.043 229 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 229 L C 2.486 179.112 176.870 -0.407 0.000 1.075 229 L CA 1.791 56.376 54.840 -0.425 0.000 0.752 229 L CB -0.504 41.312 42.059 -0.406 0.000 0.891 229 L HN 0.366 nan 8.230 nan 0.000 0.432 230 Y N 0.563 120.397 120.300 -0.776 0.000 2.163 230 Y HA -0.224 4.325 4.550 -0.000 0.000 0.288 230 Y C 2.570 178.270 175.900 -0.333 0.000 1.136 230 Y CA 1.177 58.855 58.100 -0.703 0.000 1.147 230 Y CB 0.210 37.976 38.460 -1.157 0.000 0.987 230 Y HN 0.107 nan 8.280 nan 0.000 0.509 231 E N -0.246 119.777 120.200 -0.294 0.000 2.401 231 E HA -0.106 4.244 4.350 -0.000 0.000 0.199 231 E C 1.587 178.098 176.600 -0.149 0.000 1.023 231 E CA 0.720 57.006 56.400 -0.190 0.000 0.859 231 E CB 0.074 29.823 29.700 0.082 0.000 0.780 231 E HN 0.365 nan 8.360 nan 0.000 0.523 232 V N 0.810 120.607 119.914 -0.196 0.000 3.578 232 V HA -0.018 4.101 4.120 -0.000 0.000 0.290 232 V C -0.075 176.032 176.094 0.022 0.000 1.376 232 V CA 0.147 62.380 62.300 -0.111 0.000 1.083 232 V CB -0.143 31.518 31.823 -0.269 0.000 0.911 232 V HN 0.131 nan 8.190 nan 0.000 0.433 233 D N -0.792 119.557 120.400 -0.087 0.000 3.012 233 D HA -0.241 4.398 4.640 -0.000 0.000 0.222 233 D C 0.687 176.988 176.300 0.003 0.000 1.167 233 D CA 0.860 54.818 54.000 -0.070 0.000 0.854 233 D CB -1.281 39.486 40.800 -0.055 0.000 1.107 233 D HN 0.473 nan 8.370 nan 0.000 0.421 234 F N 0.306 120.112 119.950 -0.241 0.000 2.789 234 F HA 0.153 4.680 4.527 -0.000 0.000 0.300 234 F C 1.529 177.186 175.800 -0.238 0.000 1.132 234 F CA 0.755 58.596 58.000 -0.265 0.000 1.404 234 F CB 0.907 39.716 39.000 -0.319 0.000 1.114 234 F HN -0.118 nan 8.300 nan 0.000 0.584 235 T N -1.463 113.054 114.554 -0.061 0.000 2.853 235 T HA 0.630 4.979 4.350 -0.000 0.000 0.311 235 T C -0.232 174.523 174.700 0.091 0.000 1.307 235 T CA -0.472 61.610 62.100 -0.029 0.000 1.019 235 T CB 1.194 70.021 68.868 -0.069 0.000 1.264 235 T HN 0.075 nan 8.240 nan 0.000 0.497 236 G N 1.107 110.005 108.800 0.163 0.000 2.488 236 G HA2 0.617 4.576 3.960 -0.000 0.000 0.318 236 G HA3 0.617 4.576 3.960 -0.000 0.000 0.318 236 G C -1.192 173.900 174.900 0.321 0.000 1.188 236 G CA -0.629 44.620 45.100 0.247 0.000 0.944 236 G HN 0.688 nan 8.290 nan 0.000 0.495 237 L N 1.676 123.063 121.223 0.273 0.000 2.255 237 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 237 L C -1.905 175.011 176.870 0.077 0.000 1.046 237 L CA -1.586 53.332 54.840 0.131 0.000 0.816 237 L CB 0.802 42.868 42.059 0.013 0.000 1.197 237 L HN 0.234 nan 8.230 nan 0.000 0.427 238 P HA 0.133 nan 4.420 nan 0.000 0.270 238 P C -1.076 176.203 177.300 -0.036 0.000 1.223 238 P CA -0.288 62.756 63.100 -0.093 0.000 0.785 238 P CB 0.371 31.865 31.700 -0.343 0.000 0.923 239 D N 0.357 120.743 120.400 -0.024 0.000 2.488 239 D HA 0.283 4.923 4.640 -0.000 0.000 0.238 239 D C 1.459 177.827 176.300 0.113 0.000 1.138 239 D CA 1.730 55.751 54.000 0.035 0.000 0.873 239 D CB -0.217 40.597 40.800 0.023 0.000 1.183 239 D HN 0.662 nan 8.370 nan 0.000 0.458 240 G N 1.749 110.614 108.800 0.108 0.000 2.203 240 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.263 240 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.263 240 G C 0.064 175.045 174.900 0.134 0.000 1.012 240 G CA 0.272 45.438 45.100 0.110 0.000 0.749 240 G HN 0.704 nan 8.290 nan 0.000 0.512 241 H N -0.912 118.126 119.070 -0.054 0.000 2.679 241 H HA 0.546 5.102 4.556 -0.000 0.000 0.367 241 H C -0.418 174.844 175.328 -0.109 0.000 1.162 241 H CA -0.343 55.648 56.048 -0.095 0.000 1.181 241 H CB 2.153 31.840 29.762 -0.125 0.000 1.693 241 H HN 0.146 nan 8.280 nan 0.000 0.538 242 T N 0.840 115.346 114.554 -0.081 0.000 2.945 242 T HA 0.032 4.381 4.350 -0.000 0.000 0.286 242 T C 1.344 175.934 174.700 -0.184 0.000 1.025 242 T CA -0.535 61.504 62.100 -0.102 0.000 1.039 242 T CB 1.940 70.745 68.868 -0.106 0.000 1.068 242 T HN 0.666 nan 8.240 nan 0.000 0.497 243 E N 1.077 121.205 120.200 -0.121 0.000 2.058 243 E HA -0.207 4.142 4.350 -0.000 0.000 0.194 243 E C 1.934 178.418 176.600 -0.193 0.000 0.997 243 E CA 1.744 58.077 56.400 -0.112 0.000 0.801 243 E CB 0.079 29.837 29.700 0.097 0.000 0.746 243 E HN 0.780 nan 8.360 nan 0.000 0.450 244 E N 0.307 120.440 120.200 -0.112 0.000 2.085 244 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 244 E C 1.554 178.042 176.600 -0.188 0.000 0.994 244 E CA 1.663 57.995 56.400 -0.112 0.000 0.801 244 E CB -0.075 29.583 29.700 -0.070 0.000 0.743 244 E HN 0.223 nan 8.360 nan 0.000 0.453 245 D N 0.260 120.529 120.400 -0.218 0.000 2.126 245 D HA -0.212 4.428 4.640 -0.000 0.000 0.190 245 D C 1.968 178.075 176.300 -0.320 0.000 1.001 245 D CA 1.481 55.335 54.000 -0.242 0.000 0.841 245 D CB -0.190 40.457 40.800 -0.254 0.000 0.949 245 D HN 0.312 nan 8.370 nan 0.000 0.446 246 M N -0.012 119.259 119.600 -0.549 0.000 2.132 246 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 246 M C 2.546 178.430 176.300 -0.694 0.000 1.065 246 M CA 0.741 55.493 55.300 -0.914 0.000 1.122 246 M CB -0.940 30.395 32.600 -2.108 0.000 1.365 246 M HN 0.065 nan 8.290 nan 0.000 0.411 247 I N 0.536 120.823 120.570 -0.471 0.000 2.127 247 I HA -0.298 3.872 4.170 -0.000 0.000 0.241 247 I C 2.666 178.701 176.117 -0.137 0.000 1.075 247 I CA 1.504 62.710 61.300 -0.157 0.000 1.334 247 I CB -0.668 37.312 38.000 -0.033 0.000 1.040 247 I HN 0.240 nan 8.210 nan 0.000 0.405 248 A N 0.451 123.182 122.820 -0.149 0.000 1.908 248 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 248 A C 2.211 179.728 177.584 -0.112 0.000 1.181 248 A CA 2.192 54.162 52.037 -0.112 0.000 0.627 248 A CB -0.678 18.256 19.000 -0.109 0.000 0.818 248 A HN 0.511 nan 8.150 nan 0.000 0.445 249 E N 0.888 120.996 120.200 -0.154 0.000 2.058 249 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 249 E C 1.423 177.962 176.600 -0.103 0.000 0.997 249 E CA 1.887 58.209 56.400 -0.130 0.000 0.801 249 E CB -0.298 29.305 29.700 -0.162 0.000 0.746 249 E HN 0.650 nan 8.360 nan 0.000 0.450 250 N N 0.393 119.019 118.700 -0.124 0.000 2.336 250 N HA 0.113 4.852 4.740 -0.000 0.000 0.189 250 N C -0.486 174.987 175.510 -0.060 0.000 1.113 250 N CA 0.528 53.530 53.050 -0.079 0.000 0.858 250 N CB 0.342 38.797 38.487 -0.054 0.000 0.970 250 N HN 0.185 nan 8.380 nan 0.000 0.471 251 A N 1.310 124.096 122.820 -0.057 0.000 2.566 251 A HA 0.180 4.500 4.320 -0.000 0.000 0.245 251 A C -0.098 177.458 177.584 -0.047 0.000 1.056 251 A CA 0.290 52.298 52.037 -0.049 0.000 0.757 251 A CB 0.054 19.029 19.000 -0.042 0.000 0.979 251 A HN 0.099 nan 8.150 nan 0.000 0.508 252 L N 4.324 125.497 121.223 -0.084 0.000 2.342 252 L HA 0.595 4.935 4.340 -0.000 0.000 0.271 252 L C -1.631 175.172 176.870 -0.112 0.000 1.008 252 L CA -1.747 53.015 54.840 -0.131 0.000 0.818 252 L CB 1.225 43.135 42.059 -0.248 0.000 1.296 252 L HN 0.606 nan 8.230 nan 0.000 0.427 253 P HA 0.197 nan 4.420 nan 0.000 0.273 253 P C -0.203 177.027 177.300 -0.117 0.000 1.250 253 P CA -0.390 62.661 63.100 -0.081 0.000 0.793 253 P CB 0.761 32.435 31.700 -0.043 0.000 1.011 254 A N 1.067 123.839 122.820 -0.081 0.000 2.021 254 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 254 A C 0.909 178.445 177.584 -0.080 0.000 1.163 254 A CA 1.043 53.033 52.037 -0.079 0.000 0.676 254 A CB -0.268 18.702 19.000 -0.050 0.000 0.818 254 A HN 0.533 nan 8.150 nan 0.000 0.453 255 K N 1.046 121.405 120.400 -0.069 0.000 2.270 255 K HA 0.399 4.718 4.320 -0.000 0.000 0.255 255 K C -0.359 176.201 176.600 -0.067 0.000 0.936 255 K CA -0.291 55.962 56.287 -0.056 0.000 0.809 255 K CB 1.680 34.164 32.500 -0.027 0.000 1.131 255 K HN 0.340 nan 8.250 nan 0.000 0.427 256 T N -0.468 114.043 114.554 -0.072 0.000 2.855 256 T HA 0.066 4.416 4.350 -0.000 0.000 0.314 256 T C 0.802 175.495 174.700 -0.013 0.000 1.077 256 T CA -0.025 62.034 62.100 -0.068 0.000 1.095 256 T CB 0.927 69.760 68.868 -0.059 0.000 0.987 256 T HN 0.559 nan 8.240 nan 0.000 0.546 257 K N 0.090 120.500 120.400 0.018 0.000 2.313 257 K HA 0.100 4.420 4.320 -0.000 0.000 0.197 257 K C 0.827 177.450 176.600 0.038 0.000 1.061 257 K CA 0.291 56.603 56.287 0.041 0.000 0.980 257 K CB 0.324 32.871 32.500 0.080 0.000 0.888 257 K HN 0.873 nan 8.250 nan 0.000 0.502 258 T N 0.477 115.058 114.554 0.046 0.000 2.752 258 T HA 0.462 4.812 4.350 -0.000 0.000 0.295 258 T C 0.218 174.944 174.700 0.043 0.000 0.923 258 T CA -0.817 61.311 62.100 0.048 0.000 1.112 258 T CB 1.232 70.138 68.868 0.064 0.000 0.884 258 T HN 0.134 nan 8.240 nan 0.000 0.525 259 A N 2.823 125.664 122.820 0.035 0.000 2.565 259 A HA 0.514 4.834 4.320 -0.000 0.000 0.237 259 A C 1.659 179.264 177.584 0.035 0.000 1.053 259 A CA 0.259 52.315 52.037 0.031 0.000 0.755 259 A CB -1.050 17.965 19.000 0.026 0.000 0.980 259 A HN 2.228 nan 8.150 nan 0.000 0.506 260 G N 1.016 109.837 108.800 0.034 0.000 2.279 260 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.223 260 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.223 260 G C 0.346 175.271 174.900 0.041 0.000 1.015 260 G CA 0.038 45.160 45.100 0.036 0.000 0.621 260 G HN 0.917 nan 8.290 nan 0.000 0.506 261 L N 2.031 123.281 121.223 0.047 0.000 2.601 261 L HA 0.374 4.713 4.340 -0.000 0.000 0.277 261 L C 1.182 178.094 176.870 0.070 0.000 1.219 261 L CA 1.000 55.872 54.840 0.053 0.000 0.915 261 L CB 0.226 42.318 42.059 0.055 0.000 1.160 261 L HN 0.729 nan 8.230 nan 0.000 0.494 262 R N 2.764 123.322 120.500 0.096 0.000 2.747 262 R HA 0.486 4.826 4.340 -0.000 0.000 0.272 262 R C -1.343 175.059 176.300 0.171 0.000 1.032 262 R CA -1.196 54.980 56.100 0.127 0.000 0.896 262 R CB 1.167 31.511 30.300 0.073 0.000 1.253 262 R HN 0.225 nan 8.270 nan 0.000 0.461 263 K N 0.515 120.991 120.400 0.128 0.000 2.336 263 K HA 0.084 4.404 4.320 -0.000 0.000 0.262 263 K C -0.256 176.314 176.600 -0.050 0.000 0.992 263 K CA -0.471 55.797 56.287 -0.032 0.000 0.927 263 K CB 0.343 32.802 32.500 -0.068 0.000 0.956 263 K HN 0.406 nan 8.250 nan 0.000 0.495 264 L N 2.690 123.845 121.223 -0.113 0.000 2.342 264 L HA 0.115 4.455 4.340 -0.000 0.000 0.285 264 L C -0.520 176.333 176.870 -0.028 0.000 1.095 264 L CA 0.124 54.939 54.840 -0.042 0.000 0.843 264 L CB -0.063 41.986 42.059 -0.017 0.000 1.201 264 L HN 0.309 nan 8.230 nan 0.000 0.445 265 K N 2.819 123.216 120.400 -0.006 0.000 2.154 265 K HA 0.137 4.457 4.320 -0.000 0.000 0.264 265 K C 0.957 177.569 176.600 0.019 0.000 1.008 265 K CA -0.035 56.253 56.287 0.002 0.000 0.937 265 K CB 1.280 33.783 32.500 0.006 0.000 1.002 265 K HN 0.541 nan 8.250 nan 0.000 0.469 266 K N 1.724 122.139 120.400 0.024 0.000 2.089 266 K HA -0.244 4.075 4.320 -0.000 0.000 0.210 266 K C 0.663 177.281 176.600 0.031 0.000 1.048 266 K CA 2.083 58.393 56.287 0.038 0.000 0.926 266 K CB -0.057 32.462 32.500 0.033 0.000 0.714 266 K HN 0.583 nan 8.250 nan 0.000 0.448 267 E N 0.681 120.893 120.200 0.019 0.000 2.455 267 E HA -0.155 4.195 4.350 -0.000 0.000 0.202 267 E C 0.879 177.486 176.600 0.011 0.000 1.045 267 E CA 1.305 57.713 56.400 0.013 0.000 0.872 267 E CB -0.076 29.631 29.700 0.011 0.000 0.792 267 E HN 0.485 nan 8.360 nan 0.000 0.542 268 D N -0.549 119.860 120.400 0.016 0.000 2.367 268 D HA 0.086 4.725 4.640 -0.000 0.000 0.207 268 D C 1.722 178.021 176.300 -0.001 0.000 1.034 268 D CA 0.019 54.024 54.000 0.009 0.000 0.861 268 D CB 0.133 40.939 40.800 0.011 0.000 0.943 268 D HN 0.205 nan 8.370 nan 0.000 0.515 269 I N 1.717 122.297 120.570 0.017 0.000 2.091 269 I HA -0.333 3.837 4.170 -0.000 0.000 0.240 269 I C 1.947 178.012 176.117 -0.087 0.000 1.046 269 I CA 1.437 62.738 61.300 0.002 0.000 1.306 269 I CB -0.120 37.903 38.000 0.039 0.000 1.018 269 I HN -0.123 nan 8.210 nan 0.000 0.404 270 D N -0.023 120.338 120.400 -0.064 0.000 2.104 270 D HA -0.243 4.397 4.640 -0.000 0.000 0.194 270 D C 2.104 178.399 176.300 -0.008 0.000 0.994 270 D CA 1.284 55.251 54.000 -0.055 0.000 0.830 270 D CB -0.333 40.442 40.800 -0.041 0.000 0.959 270 D HN 0.439 nan 8.370 nan 0.000 0.452 271 Q N 0.194 119.988 119.800 -0.009 0.000 2.079 271 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 271 Q C 2.145 178.144 176.000 -0.002 0.000 0.974 271 Q CA 0.834 56.642 55.803 0.009 0.000 0.840 271 Q CB 0.216 28.961 28.738 0.013 0.000 0.898 271 Q HN 0.077 nan 8.270 nan 0.000 0.430 272 V N 0.389 120.268 119.914 -0.058 0.000 2.270 272 V HA -0.227 3.892 4.120 -0.000 0.000 0.245 272 V C 1.950 177.922 176.094 -0.204 0.000 1.043 272 V CA 1.827 64.049 62.300 -0.129 0.000 1.014 272 V CB -0.722 30.967 31.823 -0.223 0.000 0.645 272 V HN 0.437 nan 8.190 nan 0.000 0.447 273 F N 1.128 120.737 119.950 -0.568 0.000 2.147 273 F HA -0.241 4.285 4.527 -0.000 0.000 0.301 273 F C 2.429 178.105 175.800 -0.208 0.000 1.084 273 F CA 2.011 59.605 58.000 -0.677 0.000 1.268 273 F CB -0.044 38.540 39.000 -0.694 0.000 1.009 273 F HN 0.153 nan 8.300 nan 0.000 0.486 274 E N 0.392 120.625 120.200 0.054 0.000 2.015 274 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 274 E C 2.214 178.841 176.600 0.045 0.000 0.991 274 E CA 1.384 57.813 56.400 0.048 0.000 0.802 274 E CB -1.198 28.554 29.700 0.088 0.000 0.759 274 E HN 0.489 nan 8.360 nan 0.000 0.447 275 L N 0.430 121.718 121.223 0.107 0.000 2.081 275 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 275 L C 2.253 179.296 176.870 0.289 0.000 1.080 275 L CA 1.546 56.527 54.840 0.235 0.000 0.754 275 L CB -0.451 41.720 42.059 0.186 0.000 0.893 275 L HN 0.069 nan 8.230 nan 0.000 0.433 276 F N 0.842 120.793 119.950 0.003 0.000 2.128 276 F HA -0.136 4.391 4.527 -0.001 0.000 0.295 276 F C 2.494 178.317 175.800 0.038 0.000 1.100 276 F CA 2.006 60.036 58.000 0.050 0.000 1.260 276 F CB -0.373 38.584 39.000 -0.071 0.000 1.009 276 F HN 0.227 nan 8.300 nan 0.000 0.476 277 K N -0.111 120.115 120.400 -0.290 0.000 2.217 277 K HA -0.108 4.212 4.320 -0.000 0.000 0.202 277 K C 2.305 178.769 176.600 -0.227 0.000 1.051 277 K CA 0.656 56.725 56.287 -0.363 0.000 0.952 277 K CB -0.370 31.909 32.500 -0.370 0.000 0.736 277 K HN 0.093 nan 8.250 nan 0.000 0.453 278 R N 0.289 120.717 120.500 -0.120 0.000 2.073 278 R HA -0.165 4.174 4.340 -0.000 0.000 0.234 278 R C 2.062 178.269 176.300 -0.154 0.000 1.134 278 R CA 1.739 57.750 56.100 -0.147 0.000 0.952 278 R CB -0.623 29.617 30.300 -0.099 0.000 0.850 278 R HN 0.459 nan 8.270 nan 0.000 0.433 279 Y N 1.150 121.449 120.300 -0.003 0.000 2.184 279 Y HA -0.163 4.386 4.550 -0.001 0.000 0.290 279 Y C 2.505 178.282 175.900 -0.204 0.000 1.129 279 Y CA 1.822 59.974 58.100 0.086 0.000 1.144 279 Y CB -0.274 38.347 38.460 0.268 0.000 0.995 279 Y HN 0.116 nan 8.280 nan 0.000 0.513 280 Q N 0.084 119.739 119.800 -0.241 0.000 2.170 280 Q HA -0.166 4.173 4.340 -0.000 0.000 0.203 280 Q C 1.953 177.736 176.000 -0.361 0.000 0.976 280 Q CA 1.503 57.131 55.803 -0.291 0.000 0.858 280 Q CB -0.266 28.192 28.738 -0.467 0.000 0.907 280 Q HN 0.605 nan 8.270 nan 0.000 0.433 281 S N 0.176 115.669 115.700 -0.345 0.000 2.795 281 S HA -0.106 4.364 4.470 -0.000 0.000 0.236 281 S C 1.241 175.634 174.600 -0.345 0.000 0.973 281 S CA 0.547 58.584 58.200 -0.271 0.000 0.982 281 S CB -0.355 62.713 63.200 -0.221 0.000 0.786 281 S HN 0.443 nan 8.310 nan 0.000 0.538 282 R N -0.753 119.389 120.500 -0.597 0.000 2.308 282 R HA 0.353 4.693 4.340 -0.000 0.000 0.202 282 R C -0.241 175.736 176.300 -0.537 0.000 0.898 282 R CA -0.324 55.389 56.100 -0.645 0.000 1.046 282 R CB -0.152 29.592 30.300 -0.927 0.000 1.026 282 R HN 0.436 nan 8.270 nan 0.000 0.512 283 F N 1.523 121.384 119.950 -0.148 0.000 2.378 283 F HA 0.312 4.839 4.527 -0.001 0.000 0.325 283 F C 1.316 177.076 175.800 -0.066 0.000 1.097 283 F CA -0.989 56.955 58.000 -0.093 0.000 1.079 283 F CB 1.539 40.492 39.000 -0.078 0.000 1.240 283 F HN -0.134 nan 8.300 nan 0.000 0.519 284 E N 0.370 120.663 120.200 0.154 0.000 2.276 284 E HA 0.041 4.390 4.350 -0.000 0.000 0.193 284 E C -0.476 176.149 176.600 0.042 0.000 0.983 284 E CA 0.298 56.736 56.400 0.064 0.000 0.861 284 E CB 0.498 30.224 29.700 0.044 0.000 0.817 284 E HN 0.209 nan 8.360 nan 0.000 0.485 285 L N 1.928 123.172 121.223 0.036 0.000 2.343 285 L HA 0.442 4.782 4.340 -0.000 0.000 0.278 285 L C -0.780 176.123 176.870 0.055 0.000 0.996 285 L CA -0.611 54.234 54.840 0.008 0.000 0.831 285 L CB 0.838 42.864 42.059 -0.056 0.000 1.232 285 L HN -0.001 nan 8.230 nan 0.000 0.413 286 I N 0.818 121.438 120.570 0.083 0.000 3.191 286 I HA 0.565 4.735 4.170 -0.000 0.000 0.313 286 I C -1.289 174.899 176.117 0.118 0.000 1.193 286 I CA -0.922 60.467 61.300 0.148 0.000 0.968 286 I CB 2.161 40.259 38.000 0.163 0.000 1.262 286 I HN 0.661 nan 8.210 nan 0.000 0.456 287 Q N 2.473 122.365 119.800 0.153 0.000 2.290 287 Q HA 0.558 4.898 4.340 -0.000 0.000 0.259 287 Q C -1.445 174.546 176.000 -0.015 0.000 0.941 287 Q CA -0.779 55.019 55.803 -0.008 0.000 0.912 287 Q CB 1.784 30.428 28.738 -0.156 0.000 1.244 287 Q HN 0.672 nan 8.270 nan 0.000 0.441 288 I N 4.257 124.811 120.570 -0.028 0.000 2.337 288 I HA 0.176 4.346 4.170 -0.000 0.000 0.291 288 I C -0.525 175.631 176.117 0.065 0.000 1.046 288 I CA -0.157 61.184 61.300 0.069 0.000 1.324 288 I CB 0.251 38.293 38.000 0.070 0.000 1.409 288 I HN 0.490 nan 8.210 nan 0.000 0.494 289 F N 4.157 124.246 119.950 0.232 0.000 2.404 289 F HA 0.284 4.810 4.527 -0.000 0.000 0.345 289 F C 1.132 177.254 175.800 0.536 0.000 1.110 289 F CA -0.434 57.796 58.000 0.383 0.000 1.130 289 F CB 1.398 40.713 39.000 0.526 0.000 1.129 289 F HN 0.418 nan 8.300 nan 0.000 0.500 290 T N 0.290 115.190 114.554 0.577 0.000 2.889 290 T HA 0.237 4.587 4.350 -0.000 0.000 0.291 290 T C 1.096 176.026 174.700 0.383 0.000 0.995 290 T CA -0.838 61.508 62.100 0.409 0.000 1.092 290 T CB 1.275 70.268 68.868 0.208 0.000 0.954 290 T HN 0.699 nan 8.240 nan 0.000 0.506 291 K N 0.956 121.248 120.400 -0.180 0.000 2.173 291 K HA -0.202 4.117 4.320 -0.000 0.000 0.207 291 K C 2.134 178.771 176.600 0.062 0.000 1.046 291 K CA 1.750 57.794 56.287 -0.405 0.000 0.929 291 K CB -0.020 32.073 32.500 -0.678 0.000 0.720 291 K HN 0.813 nan 8.250 nan 0.000 0.453 292 E N 0.813 121.073 120.200 0.100 0.000 2.006 292 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 292 E C 1.949 178.702 176.600 0.255 0.000 0.993 292 E CA 1.625 58.112 56.400 0.146 0.000 0.808 292 E CB 0.063 29.820 29.700 0.096 0.000 0.764 292 E HN 0.432 nan 8.360 nan 0.000 0.449 293 E N -0.138 120.243 120.200 0.301 0.000 2.204 293 E HA -0.197 4.152 4.350 -0.000 0.000 0.194 293 E C 2.097 178.998 176.600 0.501 0.000 0.989 293 E CA 0.739 57.350 56.400 0.352 0.000 0.824 293 E CB -0.579 29.284 29.700 0.271 0.000 0.756 293 E HN 0.309 nan 8.360 nan 0.000 0.477 294 F N 2.426 122.666 119.950 0.483 0.000 2.075 294 F HA -0.159 4.368 4.527 -0.001 0.000 0.297 294 F C 2.454 178.422 175.800 0.279 0.000 1.113 294 F CA 2.081 60.320 58.000 0.398 0.000 1.218 294 F CB -0.030 39.268 39.000 0.497 0.000 0.984 294 F HN 0.002 nan 8.300 nan 0.000 0.472 295 E N -0.937 119.579 120.200 0.526 0.000 2.085 295 E HA -0.367 3.983 4.350 -0.000 0.000 0.194 295 E C 2.139 178.854 176.600 0.191 0.000 0.994 295 E CA 1.659 58.263 56.400 0.339 0.000 0.801 295 E CB -0.439 29.421 29.700 0.265 0.000 0.743 295 E HN 0.700 nan 8.360 nan 0.000 0.453 296 H N -0.007 119.136 119.070 0.121 0.000 2.389 296 H HA -0.025 4.530 4.556 -0.000 0.000 0.299 296 H C 1.729 177.082 175.328 0.041 0.000 1.081 296 H CA 2.132 58.227 56.048 0.078 0.000 1.345 296 H CB -0.013 29.789 29.762 0.066 0.000 1.393 296 H HN 0.130 nan 8.280 nan 0.000 0.520 297 N N -0.630 117.956 118.700 -0.189 0.000 2.216 297 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 297 N C 0.606 175.955 175.510 -0.268 0.000 1.017 297 N CA 1.210 54.050 53.050 -0.351 0.000 0.861 297 N CB -0.038 38.063 38.487 -0.643 0.000 0.986 297 N HN 0.392 nan 8.380 nan 0.000 0.428 298 F N -0.587 119.352 119.950 -0.018 0.000 2.695 298 F HA 0.416 4.943 4.527 -0.000 0.000 0.303 298 F C 0.027 175.791 175.800 -0.060 0.000 1.091 298 F CA -0.134 57.840 58.000 -0.043 0.000 1.300 298 F CB 0.649 39.486 39.000 -0.273 0.000 1.071 298 F HN -0.181 nan 8.300 nan 0.000 0.578 299 I N 0.069 120.672 120.570 0.054 0.000 2.468 299 I HA 0.410 4.580 4.170 -0.000 0.000 0.285 299 I C 0.555 176.643 176.117 -0.048 0.000 1.039 299 I CA -0.598 60.696 61.300 -0.010 0.000 1.074 299 I CB 1.324 39.336 38.000 0.020 0.000 1.228 299 I HN 0.004 nan 8.210 nan 0.000 0.436 300 G N 4.021 112.746 108.800 -0.124 0.000 2.543 300 G HA2 0.244 4.203 3.960 -0.000 0.000 0.290 300 G HA3 0.244 4.203 3.960 -0.000 0.000 0.290 300 G C -0.327 174.527 174.900 -0.077 0.000 1.310 300 G CA -0.428 44.590 45.100 -0.137 0.000 1.025 300 G HN 0.635 nan 8.290 nan 0.000 0.502 301 E N -0.384 119.786 120.200 -0.050 0.000 2.534 301 E HA -0.050 4.300 4.350 -0.000 0.000 0.264 301 E C 0.009 176.586 176.600 -0.038 0.000 0.981 301 E CA 0.029 56.419 56.400 -0.016 0.000 0.948 301 E CB 0.408 30.105 29.700 -0.004 0.000 0.934 301 E HN 0.352 nan 8.360 nan 0.000 0.459 302 E N 2.482 122.674 120.200 -0.013 0.000 2.493 302 E HA -0.061 4.289 4.350 -0.000 0.000 0.255 302 E C -0.973 175.610 176.600 -0.027 0.000 0.999 302 E CA 0.581 56.970 56.400 -0.019 0.000 0.934 302 E CB 0.137 29.837 29.700 0.000 0.000 0.940 302 E HN 0.506 nan 8.360 nan 0.000 0.473 303 S N 2.810 118.485 115.700 -0.042 0.000 3.275 303 S HA -0.198 4.272 4.470 -0.000 0.000 0.385 303 S C -0.223 174.353 174.600 -0.040 0.000 0.887 303 S CA 0.384 58.560 58.200 -0.040 0.000 1.346 303 S CB -1.193 61.994 63.200 -0.022 0.000 0.955 303 S HN 0.497 nan 8.310 nan 0.000 0.587 304 L N 3.752 124.937 121.223 -0.063 0.000 2.343 304 L HA 0.564 4.903 4.340 -0.000 0.000 0.275 304 L C -1.350 175.492 176.870 -0.047 0.000 1.056 304 L CA -2.150 52.657 54.840 -0.055 0.000 0.804 304 L CB 0.589 42.600 42.059 -0.080 0.000 1.203 304 L HN 0.231 nan 8.230 nan 0.000 0.440 305 P HA 0.040 nan 4.420 nan 0.000 0.272 305 P C 0.619 177.925 177.300 0.010 0.000 1.230 305 P CA -0.521 62.576 63.100 -0.004 0.000 0.788 305 P CB 1.152 32.855 31.700 0.005 0.000 0.949 306 L N 1.368 122.616 121.223 0.043 0.000 2.189 306 L HA -0.187 4.153 4.340 -0.000 0.000 0.214 306 L C 1.656 178.604 176.870 0.130 0.000 1.097 306 L CA 1.980 56.885 54.840 0.109 0.000 0.764 306 L CB -0.720 41.413 42.059 0.124 0.000 0.900 306 L HN 0.439 nan 8.230 nan 0.000 0.436 307 D N -1.883 118.560 120.400 0.071 0.000 2.340 307 D HA -0.109 4.530 4.640 -0.000 0.000 0.220 307 D C 1.198 177.522 176.300 0.040 0.000 1.039 307 D CA 0.426 54.459 54.000 0.054 0.000 0.866 307 D CB 0.118 40.933 40.800 0.024 0.000 0.913 307 D HN 0.459 nan 8.370 nan 0.000 0.523 308 K N -0.209 120.213 120.400 0.036 0.000 2.511 308 K HA 0.046 4.365 4.320 -0.000 0.000 0.209 308 K C 0.883 177.482 176.600 -0.002 0.000 1.301 308 K CA -0.347 55.946 56.287 0.011 0.000 0.967 308 K CB 1.009 33.504 32.500 -0.009 0.000 1.109 308 K HN 0.034 nan 8.250 nan 0.000 0.561 309 Q N 1.891 121.676 119.800 -0.025 0.000 2.315 309 Q HA -0.013 4.327 4.340 -0.000 0.000 0.289 309 Q C 0.589 176.534 176.000 -0.091 0.000 1.044 309 Q CA -0.041 55.655 55.803 -0.178 0.000 0.920 309 Q CB 0.891 29.381 28.738 -0.414 0.000 1.214 309 Q HN -0.053 nan 8.270 nan 0.000 0.392 310 V N 4.411 124.177 119.914 -0.246 0.000 2.602 310 V HA 0.110 4.230 4.120 -0.000 0.000 0.235 310 V C 0.738 176.664 176.094 -0.280 0.000 1.087 310 V CA 0.168 62.347 62.300 -0.202 0.000 1.117 310 V CB 0.235 31.802 31.823 -0.428 0.000 0.820 310 V HN 0.701 nan 8.190 nan 0.000 0.490 311 I N 1.232 121.423 120.570 -0.632 0.000 2.336 311 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 311 I C -1.520 174.360 176.117 -0.395 0.000 0.991 311 I CA -0.214 60.807 61.300 -0.464 0.000 1.227 311 I CB 1.222 38.827 38.000 -0.659 0.000 1.366 311 I HN 0.117 nan 8.210 nan 0.000 0.466 312 F N 5.373 125.098 119.950 -0.374 0.000 2.403 312 F HA 0.370 4.896 4.527 -0.000 0.000 0.355 312 F C 0.405 175.855 175.800 -0.584 0.000 1.119 312 F CA -0.484 57.156 58.000 -0.601 0.000 1.007 312 F CB 1.538 39.955 39.000 -0.971 0.000 1.194 312 F HN 0.232 nan 8.300 nan 0.000 0.443 313 S N 3.221 118.650 115.700 -0.453 0.000 2.502 313 S HA 0.711 5.181 4.470 -0.000 0.000 0.304 313 S C -1.299 172.944 174.600 -0.595 0.000 1.097 313 S CA -0.651 57.397 58.200 -0.253 0.000 1.045 313 S CB 0.921 64.173 63.200 0.087 0.000 1.019 313 S HN 0.413 nan 8.310 nan 0.000 0.481 314 Y N 0.574 120.755 120.300 -0.198 0.000 2.570 314 Y HA 0.782 5.332 4.550 -0.000 0.000 0.345 314 Y C -0.006 175.693 175.900 -0.335 0.000 1.014 314 Y CA -0.905 56.986 58.100 -0.348 0.000 1.063 314 Y CB 1.514 39.592 38.460 -0.636 0.000 1.272 314 Y HN 0.418 nan 8.280 nan 0.000 0.477 315 V N 1.381 121.268 119.914 -0.044 0.000 3.159 315 V HA 0.637 4.756 4.120 -0.000 0.000 0.308 315 V C -1.563 174.531 176.094 0.000 0.000 1.190 315 V CA -0.899 61.402 62.300 0.002 0.000 1.037 315 V CB 2.684 34.536 31.823 0.049 0.000 1.060 315 V HN 0.485 nan 8.190 nan 0.000 0.437 316 V N 3.505 123.435 119.914 0.026 0.000 2.326 316 V HA 0.460 4.580 4.120 -0.000 0.000 0.281 316 V C -0.116 176.000 176.094 0.036 0.000 1.015 316 V CA -0.487 61.834 62.300 0.035 0.000 0.823 316 V CB 1.325 33.175 31.823 0.045 0.000 1.009 316 V HN 0.873 nan 8.190 nan 0.000 0.436 317 E N 3.865 124.085 120.200 0.034 0.000 2.197 317 E HA 0.350 4.699 4.350 -0.000 0.000 0.281 317 E C -0.546 176.071 176.600 0.029 0.000 0.995 317 E CA -0.621 55.798 56.400 0.031 0.000 0.808 317 E CB 1.015 30.732 29.700 0.028 0.000 1.093 317 E HN 0.596 nan 8.360 nan 0.000 0.394 318 Q N 3.432 123.248 119.800 0.027 0.000 2.260 318 Q HA 0.151 4.490 4.340 -0.000 0.000 0.238 318 Q C -1.745 174.269 176.000 0.023 0.000 0.948 318 Q CA -1.745 54.073 55.803 0.025 0.000 0.895 318 Q CB 0.878 29.631 28.738 0.025 0.000 1.218 318 Q HN 0.456 nan 8.270 nan 0.000 0.470 319 P HA -0.235 nan 4.420 nan 0.000 0.217 319 P C 0.590 177.901 177.300 0.018 0.000 1.162 319 P CA 1.816 64.928 63.100 0.019 0.000 0.901 319 P CB 0.010 31.720 31.700 0.017 0.000 0.793 320 D N -1.771 118.640 120.400 0.019 0.000 2.392 320 D HA -0.013 4.627 4.640 -0.000 0.000 0.228 320 D C 1.338 177.649 176.300 0.019 0.000 1.003 320 D CA 1.066 55.077 54.000 0.018 0.000 0.917 320 D CB -1.137 39.674 40.800 0.019 0.000 0.890 320 D HN 0.352 nan 8.370 nan 0.000 0.532 321 G N 0.255 109.067 108.800 0.020 0.000 2.157 321 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.248 321 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.248 321 G C 0.161 175.075 174.900 0.023 0.000 0.979 321 G CA 0.144 45.257 45.100 0.020 0.000 0.650 321 G HN 0.617 nan 8.290 nan 0.000 0.529 322 K N 0.598 121.013 120.400 0.025 0.000 2.322 322 K HA 0.544 4.864 4.320 -0.000 0.000 0.283 322 K C 0.386 177.004 176.600 0.031 0.000 1.042 322 K CA -0.609 55.695 56.287 0.029 0.000 0.958 322 K CB 0.172 32.691 32.500 0.031 0.000 0.984 322 K HN 0.225 nan 8.250 nan 0.000 0.473 323 I N 4.748 125.338 120.570 0.034 0.000 2.301 323 I HA 0.020 4.190 4.170 -0.000 0.000 0.292 323 I C 0.836 176.977 176.117 0.040 0.000 1.046 323 I CA -0.105 61.217 61.300 0.037 0.000 1.282 323 I CB 1.532 39.553 38.000 0.034 0.000 1.409 323 I HN 0.811 nan 8.210 nan 0.000 0.484 324 T N 3.707 118.281 114.554 0.034 0.000 3.033 324 T HA 0.127 4.477 4.350 -0.000 0.000 0.248 324 T C 0.271 174.976 174.700 0.009 0.000 1.040 324 T CA 0.439 62.546 62.100 0.012 0.000 1.133 324 T CB 0.208 69.082 68.868 0.010 0.000 0.895 324 T HN 0.544 nan 8.240 nan 0.000 0.465 325 D N -0.286 120.146 120.400 0.054 0.000 2.552 325 D HA 0.515 5.154 4.640 -0.000 0.000 0.239 325 D C -1.569 174.834 176.300 0.171 0.000 1.139 325 D CA -0.554 53.501 54.000 0.092 0.000 0.914 325 D CB 2.846 43.698 40.800 0.088 0.000 1.461 325 D HN 0.218 nan 8.370 nan 0.000 0.462 326 F N 1.777 121.739 119.950 0.020 0.000 2.623 326 F HA 0.520 5.047 4.527 -0.000 0.000 0.323 326 F C -2.153 173.714 175.800 0.111 0.000 1.158 326 F CA -0.852 57.126 58.000 -0.038 0.000 1.030 326 F CB 1.121 40.098 39.000 -0.038 0.000 1.280 326 F HN 0.325 nan 8.300 nan 0.000 0.474 327 F N 2.763 122.459 119.950 -0.424 0.000 2.599 327 F HA 0.898 5.425 4.527 -0.000 0.000 0.311 327 F C -1.260 174.378 175.800 -0.270 0.000 1.076 327 F CA -0.894 56.844 58.000 -0.437 0.000 0.937 327 F CB 1.823 40.784 39.000 -0.064 0.000 1.282 327 F HN 0.547 nan 8.300 nan 0.000 0.460 328 S N 1.544 117.388 115.700 0.240 0.000 2.569 328 S HA 0.900 5.370 4.470 -0.000 0.000 0.280 328 S C -1.345 173.682 174.600 0.712 0.000 1.111 328 S CA -0.743 57.707 58.200 0.416 0.000 0.887 328 S CB 2.070 65.578 63.200 0.514 0.000 1.095 328 S HN 1.190 nan 8.310 nan 0.000 0.476 329 F N -0.975 119.347 119.950 0.620 0.000 2.619 329 F HA 0.782 5.309 4.527 -0.000 0.000 0.308 329 F C -1.264 174.790 175.800 0.423 0.000 1.097 329 F CA -1.555 56.737 58.000 0.488 0.000 0.953 329 F CB 0.645 39.904 39.000 0.432 0.000 1.287 329 F HN 0.784 nan 8.300 nan 0.000 0.446 330 Y N 0.075 120.606 120.300 0.386 0.000 2.409 330 Y HA 0.757 5.307 4.550 -0.000 0.000 0.339 330 Y C -0.333 175.764 175.900 0.328 0.000 1.033 330 Y CA -1.436 56.778 58.100 0.190 0.000 1.094 330 Y CB 1.558 39.916 38.460 -0.170 0.000 1.210 330 Y HN 0.845 nan 8.280 nan 0.000 0.456 331 S N 4.772 120.700 115.700 0.380 0.000 2.513 331 S HA 0.510 4.980 4.470 -0.000 0.000 0.276 331 S C -0.986 173.772 174.600 0.263 0.000 1.254 331 S CA -0.722 57.628 58.200 0.249 0.000 1.053 331 S CB 0.199 63.560 63.200 0.269 0.000 0.958 331 S HN 0.820 nan 8.310 nan 0.000 0.491 332 L N 7.257 128.556 121.223 0.127 0.000 2.529 332 L HA 0.443 4.783 4.340 -0.000 0.000 0.258 332 L C -2.515 174.231 176.870 -0.207 0.000 1.032 332 L CA -1.804 53.006 54.840 -0.050 0.000 0.899 332 L CB 2.244 44.310 42.059 0.012 0.000 1.174 332 L HN 0.563 nan 8.230 nan 0.000 0.458 333 P HA 0.207 nan 4.420 nan 0.000 0.277 333 P C -0.850 176.335 177.300 -0.190 0.000 1.240 333 P CA 0.008 62.964 63.100 -0.240 0.000 0.798 333 P CB 0.843 32.458 31.700 -0.141 0.000 0.979 334 F N -0.286 119.505 119.950 -0.266 0.000 2.399 334 F HA 0.250 4.777 4.527 -0.001 0.000 0.328 334 F C 1.233 176.933 175.800 -0.166 0.000 1.084 334 F CA -0.710 57.146 58.000 -0.241 0.000 1.053 334 F CB 1.591 40.434 39.000 -0.262 0.000 1.209 334 F HN 0.074 nan 8.300 nan 0.000 0.502 335 T N 4.419 119.035 114.554 0.103 0.000 2.771 335 T HA 0.339 4.689 4.350 -0.000 0.000 0.291 335 T C -0.128 174.586 174.700 0.022 0.000 0.954 335 T CA -0.423 61.694 62.100 0.029 0.000 1.045 335 T CB 0.478 69.355 68.868 0.013 0.000 0.917 335 T HN 0.126 nan 8.240 nan 0.000 0.484 336 I N 5.350 125.923 120.570 0.004 0.000 2.312 336 I HA 0.255 4.424 4.170 -0.000 0.000 0.290 336 I C 0.928 177.053 176.117 0.014 0.000 1.008 336 I CA -0.374 60.931 61.300 0.009 0.000 1.226 336 I CB 0.710 38.694 38.000 -0.028 0.000 1.371 336 I HN 0.602 nan 8.210 nan 0.000 0.468 337 L N 4.901 126.133 121.223 0.014 0.000 2.035 337 L HA 0.094 4.434 4.340 -0.000 0.000 0.207 337 L C 1.410 178.283 176.870 0.005 0.000 1.173 337 L CA 0.571 55.411 54.840 0.000 0.000 0.852 337 L CB -0.331 41.717 42.059 -0.018 0.000 0.946 337 L HN 0.593 nan 8.230 nan 0.000 0.483 338 N N 0.869 119.572 118.700 0.006 0.000 3.027 338 N HA -0.018 4.722 4.740 -0.000 0.000 0.309 338 N C -0.751 174.762 175.510 0.005 0.000 1.222 338 N CA 0.006 53.057 53.050 0.001 0.000 1.187 338 N CB -0.337 38.148 38.487 -0.002 0.000 1.458 338 N HN 0.261 nan 8.380 nan 0.000 0.535 339 N N -0.370 118.333 118.700 0.005 0.000 2.537 339 N HA -0.006 4.734 4.740 -0.000 0.000 0.281 339 N C 0.891 176.392 175.510 -0.016 0.000 1.097 339 N CA -0.521 52.534 53.050 0.008 0.000 0.964 339 N CB 1.190 39.705 38.487 0.047 0.000 1.588 339 N HN 0.135 nan 8.380 nan 0.000 0.511 340 T N 0.715 115.244 114.554 -0.042 0.000 2.857 340 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 340 T C 1.162 175.783 174.700 -0.132 0.000 1.048 340 T CA 1.029 63.087 62.100 -0.070 0.000 1.139 340 T CB -0.053 68.776 68.868 -0.066 0.000 0.874 340 T HN 0.421 nan 8.240 nan 0.000 0.455 341 K N -0.181 120.091 120.400 -0.212 0.000 2.167 341 K HA 0.119 4.438 4.320 -0.000 0.000 0.203 341 K C -0.284 175.937 176.600 -0.632 0.000 1.052 341 K CA 0.623 56.615 56.287 -0.491 0.000 0.956 341 K CB 0.121 32.175 32.500 -0.743 0.000 0.735 341 K HN 0.497 nan 8.250 nan 0.000 0.451 342 Y N -0.196 120.067 120.300 -0.061 0.000 2.442 342 Y HA 0.224 4.774 4.550 -0.000 0.000 0.344 342 Y C 0.756 176.616 175.900 -0.067 0.000 0.976 342 Y CA -1.011 57.045 58.100 -0.073 0.000 1.040 342 Y CB 1.738 40.138 38.460 -0.100 0.000 1.228 342 Y HN -0.331 nan 8.280 nan 0.000 0.451 343 K N 1.009 121.464 120.400 0.092 0.000 2.308 343 K HA 0.159 4.478 4.320 -0.000 0.000 0.197 343 K C -0.688 175.920 176.600 0.014 0.000 1.049 343 K CA 0.610 56.917 56.287 0.033 0.000 0.991 343 K CB 0.094 32.601 32.500 0.011 0.000 0.836 343 K HN 0.905 nan 8.250 nan 0.000 0.500 344 D N -1.065 119.337 120.400 0.003 0.000 2.615 344 D HA 0.410 5.050 4.640 -0.000 0.000 0.267 344 D C -1.362 174.860 176.300 -0.131 0.000 1.236 344 D CA -0.807 53.163 54.000 -0.050 0.000 0.839 344 D CB 1.217 41.992 40.800 -0.042 0.000 1.380 344 D HN -0.195 nan 8.370 nan 0.000 0.433 345 L N 0.556 121.665 121.223 -0.189 0.000 2.441 345 L HA 0.716 5.056 4.340 -0.000 0.000 0.270 345 L C -0.303 176.380 176.870 -0.311 0.000 0.973 345 L CA -0.169 54.479 54.840 -0.320 0.000 0.842 345 L CB 1.600 43.357 42.059 -0.504 0.000 1.239 345 L HN 0.707 nan 8.230 nan 0.000 0.406 346 G N 6.492 115.127 108.800 -0.276 0.000 2.354 346 G HA2 0.486 4.446 3.960 -0.000 0.000 0.266 346 G HA3 0.486 4.446 3.960 -0.000 0.000 0.266 346 G C -0.459 174.249 174.900 -0.321 0.000 1.242 346 G CA -0.306 44.646 45.100 -0.247 0.000 0.923 346 G HN 0.524 nan 8.290 nan 0.000 0.476 347 I N 2.654 123.019 120.570 -0.343 0.000 2.410 347 I HA 0.377 4.546 4.170 -0.000 0.000 0.286 347 I C 0.659 176.551 176.117 -0.376 0.000 1.009 347 I CA -0.599 60.429 61.300 -0.455 0.000 1.111 347 I CB 1.344 38.960 38.000 -0.640 0.000 1.262 347 I HN 0.496 nan 8.210 nan 0.000 0.443 348 G N 5.599 114.155 108.800 -0.406 0.000 2.367 348 G HA2 0.571 4.531 3.960 -0.000 0.000 0.314 348 G HA3 0.571 4.531 3.960 -0.000 0.000 0.314 348 G C -1.601 172.828 174.900 -0.784 0.000 1.130 348 G CA -0.211 44.672 45.100 -0.362 0.000 0.864 348 G HN 0.437 nan 8.290 nan 0.000 0.486 349 Y N 0.813 120.734 120.300 -0.632 0.000 2.350 349 Y HA 0.336 4.886 4.550 -0.000 0.000 0.338 349 Y C 0.122 175.749 175.900 -0.456 0.000 0.961 349 Y CA -0.954 56.747 58.100 -0.666 0.000 1.100 349 Y CB 2.183 40.120 38.460 -0.873 0.000 1.179 349 Y HN 0.475 nan 8.280 nan 0.000 0.454 350 L N 4.319 125.348 121.223 -0.324 0.000 2.455 350 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 350 L C -0.611 176.519 176.870 0.433 0.000 1.174 350 L CA 0.413 55.315 54.840 0.103 0.000 0.869 350 L CB -0.168 41.954 42.059 0.106 0.000 1.130 350 L HN 0.710 nan 8.230 nan 0.000 0.474 351 Y N 4.723 125.271 120.300 0.414 0.000 2.744 351 Y HA 0.383 4.933 4.550 -0.001 0.000 0.150 351 Y C -0.532 175.540 175.900 0.285 0.000 0.892 351 Y CA -0.416 57.938 58.100 0.423 0.000 1.598 351 Y CB -0.137 38.717 38.460 0.657 0.000 1.096 351 Y HN 0.476 nan 8.280 nan 0.000 0.405 352 Y N 0.746 121.247 120.300 0.335 0.000 2.420 352 Y HA 0.462 5.011 4.550 -0.000 0.000 0.334 352 Y C -0.949 174.959 175.900 0.012 0.000 1.094 352 Y CA -0.781 57.420 58.100 0.168 0.000 1.126 352 Y CB 1.183 39.678 38.460 0.060 0.000 1.217 352 Y HN 0.259 nan 8.280 nan 0.000 0.462 353 Y N -0.664 119.773 120.300 0.228 0.000 2.638 353 Y HA 0.951 5.501 4.550 -0.000 0.000 0.335 353 Y C -1.563 174.433 175.900 0.159 0.000 1.155 353 Y CA -1.892 56.167 58.100 -0.068 0.000 1.046 353 Y CB 1.234 39.701 38.460 0.010 0.000 1.303 353 Y HN 0.699 nan 8.280 nan 0.000 0.460 354 A N 1.112 124.018 122.820 0.143 0.000 2.566 354 A HA 0.732 5.052 4.320 -0.000 0.000 0.297 354 A C -1.279 176.210 177.584 -0.159 0.000 1.059 354 A CA -0.193 51.698 52.037 -0.242 0.000 0.691 354 A CB 1.696 20.905 19.000 0.350 0.000 1.282 354 A HN 1.193 nan 8.150 nan 0.000 0.401 355 T N -0.319 114.001 114.554 -0.389 0.000 2.894 355 T HA 0.516 4.866 4.350 -0.000 0.000 0.309 355 T C -0.753 173.636 174.700 -0.518 0.000 1.208 355 T CA 0.238 62.205 62.100 -0.222 0.000 1.016 355 T CB 1.497 70.313 68.868 -0.087 0.000 1.192 355 T HN 0.851 nan 8.240 nan 0.000 0.491 356 D N 1.959 121.962 120.400 -0.662 0.000 2.342 356 D HA 0.281 4.921 4.640 -0.000 0.000 0.221 356 D C 1.631 177.623 176.300 -0.514 0.000 1.101 356 D CA 0.301 53.534 54.000 -1.278 0.000 0.837 356 D CB -0.090 40.290 40.800 -0.700 0.000 0.938 356 D HN 0.509 nan 8.370 nan 0.000 0.508 357 A N 1.360 124.047 122.820 -0.221 0.000 2.067 357 A HA -0.130 4.189 4.320 -0.000 0.000 0.219 357 A C 1.604 179.267 177.584 0.131 0.000 1.158 357 A CA 1.460 53.494 52.037 -0.004 0.000 0.661 357 A CB -0.293 18.720 19.000 0.022 0.000 0.801 357 A HN 0.405 nan 8.150 nan 0.000 0.452 358 D N -2.191 118.314 120.400 0.175 0.000 2.440 358 D HA 0.087 4.726 4.640 -0.000 0.000 0.216 358 D C 1.103 177.728 176.300 0.541 0.000 1.150 358 D CA -0.408 53.782 54.000 0.316 0.000 0.832 358 D CB -0.769 40.117 40.800 0.143 0.000 0.992 358 D HN 0.513 nan 8.370 nan 0.000 0.502 359 F N 0.927 121.000 119.950 0.206 0.000 2.186 359 F HA -0.072 4.454 4.527 -0.000 0.000 0.299 359 F C 1.878 177.744 175.800 0.110 0.000 1.090 359 F CA 0.371 58.451 58.000 0.133 0.000 1.307 359 F CB 0.207 39.267 39.000 0.099 0.000 1.019 359 F HN -0.064 nan 8.300 nan 0.000 0.489 360 Q N 0.151 120.126 119.800 0.292 0.000 2.344 360 Q HA 0.075 4.414 4.340 -0.000 0.000 0.212 360 Q C -1.055 174.834 176.000 -0.184 0.000 0.943 360 Q CA 0.541 56.359 55.803 0.025 0.000 0.955 360 Q CB -0.621 28.073 28.738 -0.074 0.000 1.000 360 Q HN 0.260 nan 8.270 nan 0.000 0.488 361 F N -0.956 119.035 119.950 0.068 0.000 2.551 361 F HA 0.294 4.821 4.527 -0.000 0.000 0.316 361 F C 1.323 177.127 175.800 0.007 0.000 1.089 361 F CA -0.812 57.210 58.000 0.037 0.000 0.915 361 F CB 1.727 40.752 39.000 0.042 0.000 1.186 361 F HN -0.274 nan 8.300 nan 0.000 0.456 362 K N -0.036 120.470 120.400 0.176 0.000 2.116 362 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 362 K C -0.031 176.607 176.600 0.063 0.000 1.052 362 K CA 0.874 57.209 56.287 0.080 0.000 0.952 362 K CB 0.175 32.705 32.500 0.050 0.000 0.729 362 K HN 0.478 nan 8.250 nan 0.000 0.446 363 D N 0.176 120.633 120.400 0.095 0.000 2.278 363 D HA 0.056 4.696 4.640 -0.000 0.000 0.245 363 D C 0.395 176.677 176.300 -0.031 0.000 1.052 363 D CA -0.178 53.846 54.000 0.040 0.000 0.834 363 D CB 1.640 42.488 40.800 0.080 0.000 1.194 363 D HN -0.054 nan 8.370 nan 0.000 0.481 364 R N 3.176 123.570 120.500 -0.178 0.000 2.120 364 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 364 R C 0.839 176.882 176.300 -0.429 0.000 1.123 364 R CA 1.353 57.219 56.100 -0.390 0.000 0.975 364 R CB -0.074 29.816 30.300 -0.683 0.000 0.866 364 R HN 0.427 nan 8.270 nan 0.000 0.446 365 F N 0.979 120.912 119.950 -0.029 0.000 2.765 365 F HA 0.126 4.653 4.527 -0.000 0.000 0.302 365 F C 0.487 176.268 175.800 -0.032 0.000 1.111 365 F CA -0.710 57.273 58.000 -0.028 0.000 1.359 365 F CB 0.038 39.027 39.000 -0.018 0.000 1.097 365 F HN -0.028 nan 8.300 nan 0.000 0.577 366 D N 2.130 122.576 120.400 0.077 0.000 2.531 366 D HA -0.057 4.583 4.640 -0.000 0.000 0.239 366 D C -1.560 174.730 176.300 -0.017 0.000 1.144 366 D CA -1.388 52.634 54.000 0.036 0.000 0.869 366 D CB 1.229 42.046 40.800 0.028 0.000 1.160 366 D HN 0.002 nan 8.370 nan 0.000 0.484 367 P HA -0.185 nan 4.420 nan 0.000 0.217 367 P C 0.996 178.261 177.300 -0.058 0.000 1.151 367 P CA 1.740 64.838 63.100 -0.002 0.000 0.849 367 P CB 0.241 31.953 31.700 0.019 0.000 0.787 368 K N -1.051 119.299 120.400 -0.083 0.000 2.103 368 K HA 0.032 4.352 4.320 -0.000 0.000 0.204 368 K C 2.153 178.431 176.600 -0.537 0.000 1.052 368 K CA 1.187 57.386 56.287 -0.148 0.000 0.945 368 K CB -0.486 32.055 32.500 0.069 0.000 0.722 368 K HN 0.023 nan 8.250 nan 0.000 0.443 369 A N 0.849 123.158 122.820 -0.850 0.000 1.930 369 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 369 A C 2.170 179.485 177.584 -0.449 0.000 1.175 369 A CA 1.838 53.206 52.037 -1.115 0.000 0.627 369 A CB -0.813 17.730 19.000 -0.762 0.000 0.815 369 A HN 0.199 nan 8.150 nan 0.000 0.443 370 T N -0.374 114.031 114.554 -0.248 0.000 2.737 370 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 370 T C 2.043 176.700 174.700 -0.071 0.000 1.038 370 T CA 1.469 63.509 62.100 -0.099 0.000 1.144 370 T CB -0.183 68.675 68.868 -0.017 0.000 0.866 370 T HN 0.472 nan 8.240 nan 0.000 0.434 371 K N 1.051 121.401 120.400 -0.084 0.000 2.044 371 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 371 K C 2.471 179.051 176.600 -0.033 0.000 1.049 371 K CA 1.566 57.828 56.287 -0.041 0.000 0.927 371 K CB -0.416 32.065 32.500 -0.031 0.000 0.713 371 K HN 0.302 nan 8.250 nan 0.000 0.443 372 A N 1.747 124.521 122.820 -0.076 0.000 1.858 372 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 372 A C 2.248 179.837 177.584 0.008 0.000 1.190 372 A CA 1.326 53.350 52.037 -0.021 0.000 0.617 372 A CB -0.763 18.227 19.000 -0.017 0.000 0.827 372 A HN 0.401 nan 8.150 nan 0.000 0.443 373 L N -0.602 120.619 121.223 -0.003 0.000 2.042 373 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 373 L C 2.677 179.601 176.870 0.091 0.000 1.076 373 L CA 2.267 57.148 54.840 0.068 0.000 0.749 373 L CB -0.337 41.776 42.059 0.089 0.000 0.893 373 L HN 0.528 nan 8.230 nan 0.000 0.432 374 K N -0.510 119.932 120.400 0.069 0.000 1.985 374 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 374 K C 1.918 178.560 176.600 0.069 0.000 1.047 374 K CA 2.181 58.522 56.287 0.090 0.000 0.932 374 K CB -0.245 32.292 32.500 0.061 0.000 0.716 374 K HN 0.469 nan 8.250 nan 0.000 0.439 375 T N -1.214 113.361 114.554 0.037 0.000 3.051 375 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 375 T C 1.829 176.534 174.700 0.008 0.000 1.127 375 T CA 0.805 62.915 62.100 0.016 0.000 1.107 375 T CB 0.023 68.896 68.868 0.008 0.000 0.898 375 T HN 0.114 nan 8.240 nan 0.000 0.517 376 R N 0.801 121.314 120.500 0.021 0.000 2.075 376 R HA 0.385 4.724 4.340 -0.000 0.000 0.220 376 R C 2.378 178.665 176.300 -0.021 0.000 1.118 376 R CA 0.851 56.958 56.100 0.012 0.000 0.986 376 R CB -1.026 29.291 30.300 0.028 0.000 0.884 376 R HN 0.444 nan 8.270 nan 0.000 0.439 377 L N -0.360 120.858 121.223 -0.007 0.000 2.083 377 L HA -0.257 4.083 4.340 -0.000 0.000 0.209 377 L C 2.397 179.099 176.870 -0.279 0.000 1.083 377 L CA 1.369 56.134 54.840 -0.125 0.000 0.752 377 L CB -0.508 41.609 42.059 0.096 0.000 0.899 377 L HN 0.306 nan 8.230 nan 0.000 0.433 378 C N 0.034 119.279 119.300 -0.092 0.000 2.413 378 C HA -0.177 4.282 4.460 -0.000 0.000 0.276 378 C C 2.661 177.588 174.990 -0.106 0.000 1.236 378 C CA 0.861 59.829 59.018 -0.082 0.000 1.735 378 C CB -0.689 27.043 27.740 -0.013 0.000 2.031 378 C HN 0.515 nan 8.230 nan 0.000 0.474 379 E N 0.395 120.549 120.200 -0.077 0.000 2.038 379 E HA -0.199 4.150 4.350 -0.000 0.000 0.195 379 E C 2.089 178.654 176.600 -0.058 0.000 1.000 379 E CA 1.249 57.628 56.400 -0.036 0.000 0.803 379 E CB -0.236 29.457 29.700 -0.011 0.000 0.750 379 E HN 0.588 nan 8.360 nan 0.000 0.448 380 L N 0.230 121.384 121.223 -0.116 0.000 1.989 380 L HA -0.220 4.119 4.340 -0.000 0.000 0.211 380 L C 2.367 178.881 176.870 -0.592 0.000 1.071 380 L CA 0.889 55.627 54.840 -0.170 0.000 0.749 380 L CB -0.315 41.717 42.059 -0.045 0.000 0.890 380 L HN 0.158 nan 8.230 nan 0.000 0.431 381 I N -1.775 118.407 120.570 -0.646 0.000 2.617 381 I HA -0.244 3.925 4.170 -0.000 0.000 0.256 381 I C 2.268 178.107 176.117 -0.463 0.000 1.167 381 I CA 0.945 61.796 61.300 -0.748 0.000 1.469 381 I CB -0.508 36.850 38.000 -1.070 0.000 1.098 381 I HN 0.107 nan 8.210 nan 0.000 0.436 382 Y N 1.868 121.929 120.300 -0.399 0.000 2.128 382 Y HA -0.326 4.224 4.550 -0.000 0.000 0.284 382 Y C 2.208 177.901 175.900 -0.346 0.000 1.154 382 Y CA 1.888 59.812 58.100 -0.292 0.000 1.149 382 Y CB -0.383 37.964 38.460 -0.190 0.000 0.976 382 Y HN 0.217 nan 8.280 nan 0.000 0.505 383 D N -0.326 119.886 120.400 -0.314 0.000 2.144 383 D HA -0.132 4.508 4.640 -0.000 0.000 0.200 383 D C 2.295 178.313 176.300 -0.471 0.000 0.978 383 D CA 1.281 55.081 54.000 -0.334 0.000 0.833 383 D CB -0.629 40.114 40.800 -0.095 0.000 0.961 383 D HN 0.449 nan 8.370 nan 0.000 0.470 384 A N 0.424 122.794 122.820 -0.750 0.000 1.908 384 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 384 A C 2.540 179.511 177.584 -1.021 0.000 1.181 384 A CA 1.403 52.955 52.037 -0.808 0.000 0.627 384 A CB -1.016 17.391 19.000 -0.989 0.000 0.818 384 A HN 0.344 nan 8.150 nan 0.000 0.445 385 C N -1.131 117.535 119.300 -1.056 0.000 2.436 385 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 385 C C 2.527 177.065 174.990 -0.753 0.000 1.241 385 C CA 1.027 59.408 59.018 -1.062 0.000 1.721 385 C CB -1.422 25.843 27.740 -0.792 0.000 2.043 385 C HN 0.636 nan 8.230 nan 0.000 0.472 386 I N 0.742 120.928 120.570 -0.640 0.000 2.087 386 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 386 I C 2.397 178.299 176.117 -0.358 0.000 1.054 386 I CA 1.801 62.823 61.300 -0.462 0.000 1.311 386 I CB -0.522 37.231 38.000 -0.412 0.000 1.024 386 I HN 0.314 nan 8.210 nan 0.000 0.402 387 L N -0.185 120.834 121.223 -0.341 0.000 2.013 387 L HA -0.292 4.048 4.340 -0.000 0.000 0.212 387 L C 2.700 179.474 176.870 -0.159 0.000 1.073 387 L CA 1.601 56.335 54.840 -0.176 0.000 0.753 387 L CB -0.835 41.140 42.059 -0.139 0.000 0.890 387 L HN 0.325 nan 8.230 nan 0.000 0.432 388 A N -0.137 122.380 122.820 -0.505 0.000 1.877 388 A HA -0.260 4.059 4.320 -0.000 0.000 0.216 388 A C 2.389 179.757 177.584 -0.360 0.000 1.186 388 A CA 1.985 53.656 52.037 -0.610 0.000 0.620 388 A CB -0.491 17.915 19.000 -0.991 0.000 0.822 388 A HN 0.342 nan 8.150 nan 0.000 0.443 389 K N -0.394 119.791 120.400 -0.359 0.000 2.032 389 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 389 K C 1.628 178.131 176.600 -0.162 0.000 1.048 389 K CA 1.799 57.937 56.287 -0.249 0.000 0.927 389 K CB -0.220 32.126 32.500 -0.255 0.000 0.712 389 K HN 0.419 nan 8.250 nan 0.000 0.441 390 N N 0.448 119.065 118.700 -0.140 0.000 2.309 390 N HA -0.106 4.634 4.740 -0.000 0.000 0.182 390 N C 1.166 176.673 175.510 -0.004 0.000 1.018 390 N CA 1.179 54.193 53.050 -0.060 0.000 0.876 390 N CB -0.200 38.264 38.487 -0.039 0.000 0.972 390 N HN 0.280 nan 8.380 nan 0.000 0.434 391 A N 0.439 123.253 122.820 -0.011 0.000 2.261 391 A HA 0.057 4.377 4.320 -0.000 0.000 0.208 391 A C 0.348 177.929 177.584 -0.005 0.000 1.223 391 A CA -0.077 51.989 52.037 0.048 0.000 0.833 391 A CB -0.350 18.614 19.000 -0.059 0.000 0.830 391 A HN 0.256 nan 8.150 nan 0.000 0.483 392 N N -0.827 117.844 118.700 -0.048 0.000 2.747 392 N HA -0.132 4.608 4.740 -0.000 0.000 0.249 392 N C -0.293 175.155 175.510 -0.103 0.000 1.107 392 N CA 1.316 54.328 53.050 -0.062 0.000 0.707 392 N CB -1.339 37.134 38.487 -0.023 0.000 1.054 392 N HN 0.648 nan 8.380 nan 0.000 0.555 393 M N -0.454 119.055 119.600 -0.151 0.000 2.288 393 M HA 0.227 4.707 4.480 -0.000 0.000 0.334 393 M C 0.866 177.043 176.300 -0.205 0.000 1.150 393 M CA -0.101 55.086 55.300 -0.189 0.000 1.118 393 M CB 0.777 33.247 32.600 -0.217 0.000 1.501 393 M HN -0.163 nan 8.290 nan 0.000 0.462 394 D N 0.449 120.708 120.400 -0.236 0.000 2.423 394 D HA 0.227 4.867 4.640 -0.000 0.000 0.212 394 D C -0.249 175.906 176.300 -0.242 0.000 1.060 394 D CA 0.592 54.445 54.000 -0.246 0.000 0.872 394 D CB 1.372 41.992 40.800 -0.302 0.000 1.012 394 D HN 0.314 nan 8.370 nan 0.000 0.503 395 V N 0.412 120.173 119.914 -0.255 0.000 3.012 395 V HA 0.466 4.586 4.120 -0.000 0.000 0.307 395 V C -2.077 173.902 176.094 -0.192 0.000 1.166 395 V CA -0.889 61.278 62.300 -0.222 0.000 0.974 395 V CB 2.909 34.579 31.823 -0.255 0.000 1.040 395 V HN -0.114 nan 8.190 nan 0.000 0.428 396 F N 5.209 124.962 119.950 -0.328 0.000 2.445 396 F HA 0.593 5.120 4.527 -0.000 0.000 0.348 396 F C 0.049 175.776 175.800 -0.121 0.000 1.125 396 F CA -0.482 57.333 58.000 -0.307 0.000 0.983 396 F CB 1.373 40.168 39.000 -0.342 0.000 1.198 396 F HN 0.607 nan 8.300 nan 0.000 0.436 397 N N 4.024 122.419 118.700 -0.507 0.000 2.456 397 N HA 0.784 5.524 4.740 -0.000 0.000 0.288 397 N C -1.031 174.430 175.510 -0.082 0.000 1.059 397 N CA -0.613 52.324 53.050 -0.187 0.000 0.946 397 N CB 1.595 39.898 38.487 -0.307 0.000 1.150 397 N HN 0.615 nan 8.380 nan 0.000 0.479 398 A N 1.355 124.271 122.820 0.160 0.000 2.532 398 A HA 0.593 4.913 4.320 -0.000 0.000 0.290 398 A C -0.502 177.109 177.584 0.044 0.000 1.143 398 A CA -0.612 51.472 52.037 0.080 0.000 0.728 398 A CB 1.036 19.982 19.000 -0.090 0.000 1.317 398 A HN 0.686 nan 8.150 nan 0.000 0.414 399 L N 1.275 122.487 121.223 -0.018 0.000 3.168 399 L HA 0.166 4.506 4.340 -0.000 0.000 0.277 399 L C 1.459 178.267 176.870 -0.104 0.000 1.245 399 L CA 0.848 55.626 54.840 -0.103 0.000 1.035 399 L CB 0.272 42.274 42.059 -0.096 0.000 1.399 399 L HN 1.327 nan 8.230 nan 0.000 0.580 400 T N -4.355 110.119 114.554 -0.133 0.000 8.547 400 T HA -0.286 4.064 4.350 -0.000 0.000 0.354 400 T C 0.669 175.311 174.700 -0.097 0.000 1.814 400 T CA 1.306 63.328 62.100 -0.130 0.000 2.663 400 T CB -2.276 66.542 68.868 -0.083 0.000 2.776 400 T HN 0.522 nan 8.240 nan 0.000 1.256 401 S N 0.622 116.274 115.700 -0.080 0.000 2.640 401 S HA 0.610 5.080 4.470 -0.000 0.000 0.262 401 S C 0.805 175.331 174.600 -0.123 0.000 1.232 401 S CA 0.154 58.283 58.200 -0.118 0.000 0.988 401 S CB 0.786 63.920 63.200 -0.111 0.000 1.034 401 S HN 0.988 nan 8.310 nan 0.000 0.569 402 Q N -0.263 119.346 119.800 -0.318 0.000 1.520 402 Q HA -0.221 4.119 4.340 -0.000 0.000 0.380 402 Q C -0.333 175.719 176.000 0.086 0.000 0.930 402 Q CA 1.687 57.215 55.803 -0.458 0.000 0.725 402 Q CB -1.221 27.407 28.738 -0.182 0.000 4.230 402 Q HN 0.859 nan 8.270 nan 0.000 0.635 403 D N 0.016 120.661 120.400 0.408 0.000 2.358 403 D HA 0.145 4.784 4.640 -0.000 0.000 0.224 403 D C 0.557 176.956 176.300 0.166 0.000 1.123 403 D CA 0.138 54.366 54.000 0.381 0.000 0.833 403 D CB -0.401 40.719 40.800 0.534 0.000 0.946 403 D HN 0.301 nan 8.370 nan 0.000 0.505 404 N N 0.106 118.813 118.700 0.013 0.000 2.137 404 N HA -0.136 4.603 4.740 -0.000 0.000 0.190 404 N C 1.479 176.426 175.510 -0.940 0.000 1.017 404 N CA 1.053 53.737 53.050 -0.609 0.000 0.859 404 N CB 0.098 38.359 38.487 -0.376 0.000 1.002 404 N HN -0.019 nan 8.380 nan 0.000 0.428 405 T N 1.147 115.457 114.554 -0.407 0.000 2.996 405 T HA -0.059 4.291 4.350 -0.000 0.000 0.271 405 T C 1.714 176.268 174.700 -0.244 0.000 1.126 405 T CA 0.560 62.487 62.100 -0.289 0.000 1.103 405 T CB -0.103 68.693 68.868 -0.120 0.000 0.870 405 T HN 0.224 nan 8.240 nan 0.000 0.528 406 L N 0.128 121.211 121.223 -0.233 0.000 2.156 406 L HA 0.020 4.359 4.340 -0.000 0.000 0.208 406 L C 1.895 178.754 176.870 -0.018 0.000 1.095 406 L CA 1.235 56.043 54.840 -0.053 0.000 0.770 406 L CB -0.239 41.880 42.059 0.100 0.000 0.914 406 L HN 0.455 nan 8.230 nan 0.000 0.439 407 F N -4.260 115.663 119.950 -0.044 0.000 2.789 407 F HA 0.265 4.792 4.527 -0.001 0.000 0.320 407 F C 1.718 177.490 175.800 -0.047 0.000 1.079 407 F CA -0.383 57.586 58.000 -0.052 0.000 1.205 407 F CB -0.723 38.228 39.000 -0.081 0.000 1.046 407 F HN -0.253 nan 8.300 nan 0.000 0.586 408 L N 1.116 122.116 121.223 -0.372 0.000 1.997 408 L HA -0.228 4.112 4.340 -0.000 0.000 0.216 408 L C 2.153 179.106 176.870 0.138 0.000 1.074 408 L CA 1.978 56.696 54.840 -0.204 0.000 0.763 408 L CB -0.677 41.177 42.059 -0.342 0.000 0.890 408 L HN 0.172 nan 8.230 nan 0.000 0.434 409 D N -0.149 120.283 120.400 0.053 0.000 2.077 409 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 409 D C 1.793 178.159 176.300 0.110 0.000 0.986 409 D CA 1.380 55.428 54.000 0.080 0.000 0.829 409 D CB -0.306 40.512 40.800 0.031 0.000 0.983 409 D HN 0.276 nan 8.370 nan 0.000 0.453 410 D N 0.324 120.784 120.400 0.099 0.000 2.182 410 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 410 D C 1.651 178.023 176.300 0.121 0.000 0.986 410 D CA 0.431 54.482 54.000 0.085 0.000 0.847 410 D CB -0.125 40.713 40.800 0.065 0.000 0.942 410 D HN 0.245 nan 8.370 nan 0.000 0.467 411 L N -0.275 121.095 121.223 0.246 0.000 2.653 411 L HA 0.147 4.486 4.340 -0.000 0.000 0.232 411 L C 0.158 177.174 176.870 0.243 0.000 1.169 411 L CA -0.025 55.001 54.840 0.310 0.000 0.951 411 L CB -0.182 42.196 42.059 0.531 0.000 1.181 411 L HN -0.042 nan 8.230 nan 0.000 0.460 412 K N -0.239 120.266 120.400 0.176 0.000 3.071 412 K HA -0.208 4.112 4.320 -0.000 0.000 0.265 412 K C -0.462 176.162 176.600 0.040 0.000 1.060 412 K CA 0.366 56.699 56.287 0.076 0.000 0.767 412 K CB -1.699 30.802 32.500 0.002 0.000 1.241 412 K HN 0.056 nan 8.250 nan 0.000 0.486 413 F N 1.361 121.348 119.950 0.062 0.000 2.434 413 F HA 0.226 4.753 4.527 -0.000 0.000 0.358 413 F C 1.702 177.515 175.800 0.023 0.000 1.136 413 F CA 0.228 58.262 58.000 0.057 0.000 1.157 413 F CB 0.740 39.779 39.000 0.065 0.000 1.167 413 F HN 0.148 nan 8.300 nan 0.000 0.539 414 G N 4.853 113.728 108.800 0.125 0.000 2.594 414 G HA2 0.310 4.270 3.960 -0.000 0.000 0.243 414 G HA3 0.310 4.270 3.960 -0.000 0.000 0.243 414 G C -2.629 172.309 174.900 0.063 0.000 1.229 414 G CA -1.167 43.987 45.100 0.090 0.000 0.843 414 G HN 0.339 nan 8.290 nan 0.000 0.578 415 P HA 0.259 nan 4.420 nan 0.000 0.276 415 P C 0.014 177.306 177.300 -0.013 0.000 1.235 415 P CA 0.013 63.111 63.100 -0.004 0.000 0.772 415 P CB 1.456 33.159 31.700 0.005 0.000 0.871 416 G N 1.848 110.588 108.800 -0.100 0.000 2.478 416 G HA2 0.257 4.217 3.960 -0.000 0.000 0.317 416 G HA3 0.257 4.217 3.960 -0.000 0.000 0.317 416 G C -0.660 174.183 174.900 -0.096 0.000 1.259 416 G CA -0.437 44.625 45.100 -0.063 0.000 0.933 416 G HN 0.246 nan 8.290 nan 0.000 0.478 417 D N 1.330 121.704 120.400 -0.043 0.000 2.671 417 D HA 0.421 5.061 4.640 -0.000 0.000 0.228 417 D C 0.683 176.898 176.300 -0.142 0.000 1.102 417 D CA 0.776 54.700 54.000 -0.127 0.000 1.044 417 D CB 0.359 41.137 40.800 -0.037 0.000 1.113 417 D HN 0.544 nan 8.370 nan 0.000 0.480 418 G N 0.504 109.145 108.800 -0.264 0.000 2.739 418 G HA2 0.473 4.433 3.960 -0.000 0.000 0.292 418 G HA3 0.473 4.433 3.960 -0.000 0.000 0.292 418 G C -1.121 173.654 174.900 -0.209 0.000 1.444 418 G CA -0.721 44.325 45.100 -0.091 0.000 1.144 418 G HN 0.083 nan 8.290 nan 0.000 0.550 419 F N 1.214 121.293 119.950 0.215 0.000 2.458 419 F HA 0.629 5.156 4.527 -0.001 0.000 0.330 419 F C 0.269 176.156 175.800 0.145 0.000 1.082 419 F CA -1.030 57.056 58.000 0.143 0.000 0.995 419 F CB 2.438 41.496 39.000 0.096 0.000 1.170 419 F HN 0.103 nan 8.300 nan 0.000 0.478 420 L N 3.291 124.648 121.223 0.223 0.000 2.343 420 L HA 0.463 4.803 4.340 -0.000 0.000 0.278 420 L C -1.328 175.534 176.870 -0.013 0.000 0.996 420 L CA -0.527 54.341 54.840 0.047 0.000 0.831 420 L CB 1.299 43.249 42.059 -0.182 0.000 1.232 420 L HN 0.724 nan 8.230 nan 0.000 0.413 421 N N 3.876 122.535 118.700 -0.067 0.000 2.456 421 N HA 0.518 5.258 4.740 -0.000 0.000 0.288 421 N C -1.298 173.915 175.510 -0.495 0.000 1.059 421 N CA -0.317 52.614 53.050 -0.199 0.000 0.946 421 N CB 1.350 39.701 38.487 -0.227 0.000 1.150 421 N HN 0.237 nan 8.380 nan 0.000 0.479 422 F N 1.689 121.337 119.950 -0.504 0.000 2.443 422 F HA 0.470 4.997 4.527 -0.001 0.000 0.335 422 F C -0.436 174.927 175.800 -0.728 0.000 1.104 422 F CA -0.533 57.215 58.000 -0.420 0.000 1.013 422 F CB 0.747 39.623 39.000 -0.208 0.000 1.136 422 F HN 0.347 nan 8.300 nan 0.000 0.470 423 Y N 2.227 122.391 120.300 -0.227 0.000 2.512 423 Y HA 0.672 5.221 4.550 -0.000 0.000 0.348 423 Y C -0.829 174.908 175.900 -0.272 0.000 0.990 423 Y CA -1.102 56.718 58.100 -0.468 0.000 1.033 423 Y CB 1.849 39.535 38.460 -1.290 0.000 1.259 423 Y HN 0.295 nan 8.280 nan 0.000 0.461 424 L N 3.238 124.529 121.223 0.113 0.000 2.333 424 L HA 0.417 4.757 4.340 -0.000 0.000 0.280 424 L C -0.921 176.217 176.870 0.446 0.000 1.004 424 L CA -0.658 54.337 54.840 0.257 0.000 0.820 424 L CB 1.388 43.555 42.059 0.180 0.000 1.247 424 L HN 0.530 nan 8.230 nan 0.000 0.416 425 F N 4.300 124.520 119.950 0.451 0.000 2.412 425 F HA 0.168 4.694 4.527 -0.001 0.000 0.348 425 F C 1.387 177.426 175.800 0.399 0.000 1.102 425 F CA 0.072 58.338 58.000 0.443 0.000 1.196 425 F CB 0.422 39.638 39.000 0.360 0.000 1.144 425 F HN 0.727 nan 8.300 nan 0.000 0.541 426 N N 4.942 123.489 118.700 -0.255 0.000 2.714 426 N HA -0.321 4.419 4.740 -0.000 0.000 0.252 426 N C -1.778 173.919 175.510 0.312 0.000 1.014 426 N CA 0.742 53.772 53.050 -0.033 0.000 0.735 426 N CB -0.947 37.584 38.487 0.074 0.000 0.924 426 N HN 0.741 nan 8.380 nan 0.000 0.540 427 Y N -0.151 120.169 120.300 0.033 0.000 2.409 427 Y HA 0.277 4.827 4.550 -0.001 0.000 0.321 427 Y C -1.013 174.871 175.900 -0.027 0.000 1.209 427 Y CA -0.981 57.105 58.100 -0.023 0.000 1.086 427 Y CB 0.858 39.257 38.460 -0.102 0.000 1.320 427 Y HN 0.211 nan 8.280 nan 0.000 0.440 428 R N 4.118 124.456 120.500 -0.269 0.000 2.346 428 R HA 0.985 5.324 4.340 -0.000 0.000 0.311 428 R C -1.445 174.796 176.300 -0.099 0.000 0.983 428 R CA -0.759 55.261 56.100 -0.134 0.000 0.880 428 R CB 1.938 32.143 30.300 -0.158 0.000 1.100 428 R HN 0.632 nan 8.270 nan 0.000 0.453 429 A N 2.794 125.640 122.820 0.044 0.000 2.539 429 A HA 0.454 4.774 4.320 -0.000 0.000 0.296 429 A C -0.950 176.646 177.584 0.021 0.000 1.073 429 A CA -1.123 50.958 52.037 0.075 0.000 0.700 429 A CB 1.522 20.630 19.000 0.179 0.000 1.296 429 A HN 0.720 nan 8.150 nan 0.000 0.405 430 K N 0.934 121.341 120.400 0.011 0.000 2.219 430 K HA 0.312 4.631 4.320 -0.000 0.000 0.258 430 K C -2.397 174.198 176.600 -0.009 0.000 1.008 430 K CA -1.259 55.026 56.287 -0.005 0.000 0.928 430 K CB 0.059 32.555 32.500 -0.006 0.000 0.983 430 K HN 0.373 nan 8.250 nan 0.000 0.484 431 P HA -0.056 nan 4.420 nan 0.000 0.263 431 P C -0.656 176.626 177.300 -0.029 0.000 1.175 431 P CA 0.787 63.871 63.100 -0.027 0.000 0.761 431 P CB 0.283 31.968 31.700 -0.024 0.000 0.794 432 I N 2.021 122.563 120.570 -0.047 0.000 2.433 432 I HA 0.170 4.340 4.170 -0.000 0.000 0.292 432 I C 0.490 176.568 176.117 -0.065 0.000 1.001 432 I CA -0.763 60.505 61.300 -0.052 0.000 1.119 432 I CB 1.691 39.645 38.000 -0.076 0.000 1.289 432 I HN 0.279 nan 8.210 nan 0.000 0.438 433 T N 1.994 116.524 114.554 -0.039 0.000 2.704 433 T HA -0.003 4.346 4.350 -0.000 0.000 0.271 433 T C 1.115 175.776 174.700 -0.065 0.000 1.000 433 T CA -0.198 61.881 62.100 -0.034 0.000 1.216 433 T CB 0.373 69.241 68.868 0.000 0.000 0.961 433 T HN 0.894 nan 8.240 nan 0.000 0.515 434 G N 1.451 110.213 108.800 -0.062 0.000 3.233 434 G HA2 0.451 4.411 3.960 -0.000 0.000 0.227 434 G HA3 0.451 4.411 3.960 -0.000 0.000 0.227 434 G C 1.215 176.091 174.900 -0.040 0.000 1.175 434 G CA -0.222 44.834 45.100 -0.073 0.000 0.781 434 G HN 1.784 nan 8.290 nan 0.000 0.542 435 G N -0.563 108.221 108.800 -0.028 0.000 2.159 435 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.256 435 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.256 435 G C 0.197 175.093 174.900 -0.008 0.000 0.977 435 G CA 0.342 45.431 45.100 -0.019 0.000 0.652 435 G HN 0.493 nan 8.290 nan 0.000 0.531 436 L N 0.098 121.324 121.223 0.005 0.000 2.334 436 L HA 0.462 4.802 4.340 -0.000 0.000 0.276 436 L C 0.474 177.349 176.870 0.008 0.000 1.014 436 L CA -1.048 53.806 54.840 0.022 0.000 0.815 436 L CB 1.589 43.683 42.059 0.059 0.000 1.268 436 L HN 0.142 nan 8.230 nan 0.000 0.428 437 N N 2.661 121.367 118.700 0.010 0.000 2.445 437 N HA 0.177 4.916 4.740 -0.000 0.000 0.264 437 N C -1.648 173.861 175.510 -0.001 0.000 1.227 437 N CA -1.022 52.028 53.050 -0.000 0.000 0.963 437 N CB 0.576 39.064 38.487 0.001 0.000 1.188 437 N HN 0.384 nan 8.380 nan 0.000 0.491 438 P HA -0.265 nan 4.420 nan 0.000 0.226 438 P C 0.023 177.318 177.300 -0.010 0.000 1.154 438 P CA 1.720 64.811 63.100 -0.015 0.000 0.901 438 P CB -0.079 31.611 31.700 -0.015 0.000 0.788 439 D N -4.136 116.266 120.400 0.003 0.000 2.368 439 D HA 0.050 4.690 4.640 -0.000 0.000 0.218 439 D C 0.439 176.764 176.300 0.042 0.000 1.112 439 D CA -0.382 53.627 54.000 0.015 0.000 0.834 439 D CB -0.412 40.397 40.800 0.014 0.000 0.953 439 D HN -0.098 nan 8.370 nan 0.000 0.505 440 N N -0.760 117.971 118.700 0.053 0.000 2.984 440 N HA -0.179 4.560 4.740 -0.000 0.000 0.227 440 N C -0.323 175.245 175.510 0.097 0.000 0.903 440 N CA 1.172 54.292 53.050 0.116 0.000 0.995 440 N CB -1.755 36.853 38.487 0.203 0.000 1.065 440 N HN 0.545 nan 8.380 nan 0.000 0.585 441 S N 0.110 115.842 115.700 0.054 0.000 2.614 441 S HA 0.418 4.887 4.470 -0.000 0.000 0.265 441 S C 0.315 174.927 174.600 0.020 0.000 1.303 441 S CA -0.664 57.557 58.200 0.034 0.000 1.000 441 S CB 1.152 64.365 63.200 0.021 0.000 0.935 441 S HN 0.155 nan 8.310 nan 0.000 0.551 442 N N 2.335 121.038 118.700 0.004 0.000 2.452 442 N HA 0.081 4.821 4.740 -0.000 0.000 0.266 442 N C -0.731 174.770 175.510 -0.014 0.000 1.209 442 N CA 0.138 53.179 53.050 -0.015 0.000 0.929 442 N CB 0.192 38.655 38.487 -0.039 0.000 1.063 442 N HN 0.668 nan 8.380 nan 0.000 0.472 443 D N 2.608 123.000 120.400 -0.013 0.000 2.470 443 D HA 0.022 4.662 4.640 -0.000 0.000 0.226 443 D C 1.327 177.625 176.300 -0.004 0.000 1.196 443 D CA -0.373 53.621 54.000 -0.010 0.000 0.979 443 D CB -0.011 40.783 40.800 -0.009 0.000 1.059 443 D HN 0.588 nan 8.370 nan 0.000 0.515 444 I N 0.638 121.205 120.570 -0.005 0.000 3.111 444 I HA 0.013 4.183 4.170 -0.000 0.000 0.272 444 I C 1.858 177.993 176.117 0.030 0.000 1.268 444 I CA 0.480 61.783 61.300 0.005 0.000 1.467 444 I CB 0.151 38.150 38.000 -0.002 0.000 1.087 444 I HN 0.043 nan 8.210 nan 0.000 0.467 445 K N 1.384 121.794 120.400 0.016 0.000 2.067 445 K HA 0.028 4.348 4.320 -0.000 0.000 0.203 445 K C 2.215 178.823 176.600 0.013 0.000 1.048 445 K CA 0.788 57.081 56.287 0.010 0.000 0.954 445 K CB 0.115 32.596 32.500 -0.032 0.000 0.737 445 K HN 0.299 nan 8.250 nan 0.000 0.444 446 R N -0.164 120.326 120.500 -0.016 0.000 2.206 446 R HA 0.123 4.463 4.340 -0.000 0.000 0.198 446 R C 0.393 176.810 176.300 0.194 0.000 0.986 446 R CA 0.113 56.188 56.100 -0.041 0.000 1.029 446 R CB 0.310 30.544 30.300 -0.109 0.000 0.966 446 R HN 0.141 nan 8.270 nan 0.000 0.487 447 R N -0.639 119.939 120.500 0.131 0.000 3.878 447 R HA -0.219 4.121 4.340 -0.000 0.000 0.446 447 R C -0.228 176.135 176.300 0.105 0.000 0.241 447 R CA 1.277 57.451 56.100 0.124 0.000 1.411 447 R CB -1.413 28.999 30.300 0.186 0.000 1.019 447 R HN 0.197 nan 8.270 nan 0.000 0.555 448 S N -0.655 115.116 115.700 0.118 0.000 2.568 448 S HA 0.456 4.926 4.470 -0.000 0.000 0.293 448 S C -0.297 174.388 174.600 0.142 0.000 1.089 448 S CA -0.800 57.431 58.200 0.051 0.000 0.945 448 S CB 1.451 64.608 63.200 -0.073 0.000 1.077 448 S HN 0.471 nan 8.310 nan 0.000 0.485 449 N N 1.446 120.200 118.700 0.091 0.000 2.203 449 N HA 0.154 4.894 4.740 -0.000 0.000 0.207 449 N C -0.561 174.943 175.510 -0.011 0.000 1.130 449 N CA 0.181 53.349 53.050 0.198 0.000 0.861 449 N CB 0.646 39.221 38.487 0.146 0.000 1.005 449 N HN 0.342 nan 8.380 nan 0.000 0.507 450 V N 0.848 120.619 119.914 -0.239 0.000 2.415 450 V HA 0.261 4.381 4.120 -0.000 0.000 0.267 450 V C 1.504 177.286 176.094 -0.521 0.000 1.042 450 V CA -0.022 62.039 62.300 -0.397 0.000 1.000 450 V CB 0.872 32.321 31.823 -0.624 0.000 1.015 450 V HN 0.213 nan 8.190 nan 0.000 0.478 451 G N 3.990 112.584 108.800 -0.344 0.000 2.673 451 G HA2 0.115 4.075 3.960 -0.000 0.000 0.208 451 G HA3 0.115 4.075 3.960 -0.000 0.000 0.208 451 G C 0.594 175.545 174.900 0.085 0.000 1.128 451 G CA 0.513 45.417 45.100 -0.325 0.000 0.805 451 G HN 0.712 nan 8.290 nan 0.000 0.526 452 V N 0.205 120.213 119.914 0.157 0.000 2.715 452 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 452 V C -0.222 176.034 176.094 0.270 0.000 1.054 452 V CA -1.018 61.503 62.300 0.369 0.000 1.077 452 V CB 1.357 33.374 31.823 0.322 0.000 0.972 452 V HN -0.043 nan 8.190 nan 0.000 0.484 453 V N 5.862 125.899 119.914 0.205 0.000 2.376 453 V HA 0.434 4.554 4.120 -0.000 0.000 0.287 453 V C 0.240 176.563 176.094 0.383 0.000 1.015 453 V CA -0.546 61.846 62.300 0.153 0.000 0.834 453 V CB 1.161 32.897 31.823 -0.145 0.000 1.001 453 V HN 0.862 nan 8.190 nan 0.000 0.428 454 M N 4.303 124.124 119.600 0.369 0.000 2.197 454 M HA 0.566 5.045 4.480 -0.000 0.000 0.305 454 M C -0.101 176.384 176.300 0.308 0.000 1.162 454 M CA -0.145 55.335 55.300 0.300 0.000 1.099 454 M CB 1.269 33.977 32.600 0.179 0.000 1.430 454 M HN 0.418 nan 8.290 nan 0.000 0.481 455 L N 0.000 121.346 121.223 0.204 0.000 2.949 455 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 455 L CA 0.000 54.981 54.840 0.235 0.000 0.813 455 L CB 0.000 42.192 42.059 0.221 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502