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 1ndf_1_B DATA FIRST_RESID 30 DATA SEQUENCE AHQDALPRLP VPPLQQSLDY YLKALQPIVS EEEWAHTKQL VDEFQTSGGV DATA SEQUENCE GERLQKGLER RAKKMENWLS EWWLKTAYLQ FRQPVVIYSS PGVILPKQDF DATA SEQUENCE VDLQGQLRFA AKLIEGVLDF KSMIDNETLP VEFLGGQPLC MNQYYQILSS DATA SEQUENCE CRVPGPKQDS VVNFLKSKRP PTHITVVHNY QFFELDVYHS DGTPLTSDQI DATA SEQUENCE FVQLEKIWNS SLQSNKEPVG ILTSNHRNTW AKAYNNLIKD KVNRESVNSI DATA SEQUENCE QKSIFTVCLD KQVPRVSDDV YRNHVAGQML HGGGSKFNSG NRWFDKTLQF DATA SEQUENCE IVAEDGSCGM VYEHAAAEGP PIVALVDHVM EYTKKPELVR SPMVPLPMPK DATA SEQUENCE KLRFNITPEI KNDIEKAKQN LSIMIQDLDI MMLTFHHFGK DFPKSEKLSP DATA SEQUENCE DAFIQVALQL AYYRIYGQAC ATYESASLRM FHLGRTDTIR SASIDSLAFV DATA SEQUENCE KGMGDSTVPE QQKVELLRKA VQAHRAYTDR AIRGEAFDRH LLGLKLQAIE DATA SEQUENCE DLVSMPDIFM DTSYAIAMHF NLSTSQVPAK TDCVMFFGPV VPDGYGICYN DATA SEQUENCE PMEAHINFSV SAYNSCAETN AARMAHYLEK ALLDMRTLLQ NHPRAK 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 30 A HA 0.000 nan 4.320 nan 0.000 0.244 30 A C 0.000 177.610 177.584 0.044 0.000 1.274 30 A CA 0.000 52.044 52.037 0.012 0.000 0.836 30 A CB 0.000 19.016 19.000 0.027 0.000 0.831 31 H N 0.578 119.630 119.070 -0.030 0.000 2.372 31 H HA 0.087 4.643 4.556 -0.001 0.000 0.301 31 H C 1.950 177.260 175.328 -0.030 0.000 1.065 31 H CA 2.247 58.282 56.048 -0.022 0.000 1.364 31 H CB 0.167 29.912 29.762 -0.028 0.000 1.406 31 H HN 0.338 nan 8.280 nan 0.000 0.521 32 Q N 0.381 120.062 119.800 -0.199 0.000 2.119 32 Q HA -0.102 4.238 4.340 -0.000 0.000 0.201 32 Q C 1.562 177.357 176.000 -0.341 0.000 0.972 32 Q CA 1.571 57.217 55.803 -0.261 0.000 0.847 32 Q CB -0.169 28.516 28.738 -0.089 0.000 0.903 32 Q HN 0.657 nan 8.270 nan 0.000 0.433 33 D N 0.737 120.997 120.400 -0.234 0.000 2.219 33 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 33 D C 1.645 177.855 176.300 -0.150 0.000 0.970 33 D CA 1.239 55.116 54.000 -0.204 0.000 0.851 33 D CB -0.015 40.715 40.800 -0.117 0.000 0.943 33 D HN 0.278 nan 8.370 nan 0.000 0.488 34 A N 0.304 123.052 122.820 -0.121 0.000 1.970 34 A HA 0.055 4.374 4.320 -0.000 0.000 0.216 34 A C 1.023 178.559 177.584 -0.081 0.000 1.170 34 A CA 0.134 52.132 52.037 -0.065 0.000 0.645 34 A CB -0.508 18.490 19.000 -0.004 0.000 0.816 34 A HN 0.153 nan 8.150 nan 0.000 0.447 35 L N 1.820 122.949 121.223 -0.156 0.000 2.559 35 L HA 0.096 4.436 4.340 -0.000 0.000 0.282 35 L C -1.836 175.023 176.870 -0.019 0.000 1.232 35 L CA -1.279 53.493 54.840 -0.113 0.000 0.885 35 L CB 0.025 42.003 42.059 -0.135 0.000 1.131 35 L HN 0.236 nan 8.230 nan 0.000 0.498 36 P HA 0.190 nan 4.420 nan 0.000 0.274 36 P C -0.848 176.629 177.300 0.295 0.000 1.237 36 P CA -0.625 62.564 63.100 0.149 0.000 0.793 36 P CB 0.896 32.698 31.700 0.170 0.000 0.977 37 R N 0.792 121.450 120.500 0.262 0.000 2.500 37 R HA 0.377 4.717 4.340 -0.000 0.000 0.275 37 R C -0.193 176.219 176.300 0.186 0.000 1.051 37 R CA -1.138 55.106 56.100 0.239 0.000 1.088 37 R CB -0.558 29.831 30.300 0.148 0.000 1.063 37 R HN 0.422 nan 8.270 nan 0.000 0.511 38 L N 5.350 126.592 121.223 0.033 0.000 2.559 38 L HA 0.169 4.509 4.340 -0.000 0.000 0.274 38 L C -1.952 174.844 176.870 -0.125 0.000 1.205 38 L CA -0.506 54.136 54.840 -0.329 0.000 0.907 38 L CB 0.175 42.053 42.059 -0.303 0.000 1.153 38 L HN 0.566 nan 8.230 nan 0.000 0.490 39 P HA 0.193 nan 4.420 nan 0.000 0.281 39 P C -1.352 175.983 177.300 0.057 0.000 1.264 39 P CA -0.493 62.560 63.100 -0.078 0.000 0.824 39 P CB 1.489 33.106 31.700 -0.139 0.000 1.092 40 V N 2.967 122.808 119.914 -0.121 0.000 2.333 40 V HA 0.244 4.364 4.120 -0.000 0.000 0.274 40 V C -1.989 173.906 176.094 -0.331 0.000 1.028 40 V CA -1.696 60.379 62.300 -0.375 0.000 0.851 40 V CB 0.563 32.034 31.823 -0.587 0.000 1.000 40 V HN 0.565 nan 8.190 nan 0.000 0.456 41 P HA 0.201 nan 4.420 nan 0.000 0.268 41 P C -2.664 174.569 177.300 -0.112 0.000 1.208 41 P CA -1.123 61.874 63.100 -0.173 0.000 0.777 41 P CB -0.159 31.547 31.700 0.011 0.000 0.875 42 P HA 0.003 nan 4.420 nan 0.000 0.268 42 P C 0.765 178.174 177.300 0.182 0.000 1.204 42 P CA -0.152 62.986 63.100 0.064 0.000 0.768 42 P CB 0.344 32.064 31.700 0.033 0.000 0.842 43 L N 4.046 125.365 121.223 0.160 0.000 2.013 43 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 43 L C 2.252 179.153 176.870 0.051 0.000 1.073 43 L CA 2.041 56.965 54.840 0.139 0.000 0.753 43 L CB -1.145 40.927 42.059 0.023 0.000 0.890 43 L HN 0.430 nan 8.230 nan 0.000 0.432 44 Q N -1.278 118.524 119.800 0.004 0.000 2.119 44 Q HA -0.265 4.075 4.340 -0.000 0.000 0.201 44 Q C 2.285 178.241 176.000 -0.073 0.000 0.972 44 Q CA 1.749 57.530 55.803 -0.036 0.000 0.847 44 Q CB -0.175 28.533 28.738 -0.049 0.000 0.903 44 Q HN 0.733 nan 8.270 nan 0.000 0.433 45 Q N -0.378 119.384 119.800 -0.064 0.000 2.020 45 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 45 Q C 2.052 177.944 176.000 -0.180 0.000 0.982 45 Q CA 1.936 57.630 55.803 -0.182 0.000 0.838 45 Q CB -0.098 28.601 28.738 -0.065 0.000 0.899 45 Q HN 0.320 nan 8.270 nan 0.000 0.423 46 S N 0.865 116.625 115.700 0.101 0.000 2.368 46 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 46 S C 1.915 176.520 174.600 0.007 0.000 1.030 46 S CA 1.147 59.493 58.200 0.243 0.000 0.999 46 S CB -0.240 63.186 63.200 0.377 0.000 0.844 46 S HN 0.368 nan 8.310 nan 0.000 0.459 47 L N 0.991 122.189 121.223 -0.042 0.000 2.141 47 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 47 L C 2.347 179.178 176.870 -0.065 0.000 1.094 47 L CA 1.379 56.188 54.840 -0.052 0.000 0.763 47 L CB -0.598 41.450 42.059 -0.018 0.000 0.908 47 L HN 0.300 nan 8.230 nan 0.000 0.437 48 D N -0.622 119.702 120.400 -0.126 0.000 2.117 48 D HA -0.225 4.415 4.640 -0.000 0.000 0.198 48 D C 2.071 178.321 176.300 -0.083 0.000 0.982 48 D CA 1.360 55.276 54.000 -0.139 0.000 0.828 48 D CB 0.006 40.660 40.800 -0.243 0.000 0.967 48 D HN 0.169 nan 8.370 nan 0.000 0.464 49 Y N -0.626 119.640 120.300 -0.056 0.000 2.224 49 Y HA -0.114 4.436 4.550 -0.000 0.000 0.289 49 Y C 2.075 177.828 175.900 -0.245 0.000 1.146 49 Y CA 0.839 58.906 58.100 -0.056 0.000 1.182 49 Y CB -1.194 37.316 38.460 0.082 0.000 0.983 49 Y HN 0.163 nan 8.280 nan 0.000 0.524 50 Y N 0.203 120.108 120.300 -0.659 0.000 2.145 50 Y HA -0.215 4.334 4.550 -0.000 0.000 0.286 50 Y C 2.057 177.824 175.900 -0.222 0.000 1.145 50 Y CA 1.346 58.898 58.100 -0.913 0.000 1.148 50 Y CB -0.783 37.186 38.460 -0.818 0.000 0.981 50 Y HN 0.057 nan 8.280 nan 0.000 0.507 51 L N 0.048 121.127 121.223 -0.241 0.000 2.083 51 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 51 L C 2.454 179.449 176.870 0.209 0.000 1.083 51 L CA 1.689 56.443 54.840 -0.143 0.000 0.752 51 L CB -0.476 41.548 42.059 -0.058 0.000 0.899 51 L HN 0.151 nan 8.230 nan 0.000 0.433 52 K N -0.139 120.365 120.400 0.172 0.000 2.097 52 K HA -0.092 4.227 4.320 -0.000 0.000 0.205 52 K C 2.160 178.887 176.600 0.212 0.000 1.050 52 K CA 1.242 57.654 56.287 0.207 0.000 0.938 52 K CB -0.182 32.444 32.500 0.211 0.000 0.718 52 K HN 0.268 nan 8.250 nan 0.000 0.442 53 A N 0.996 123.962 122.820 0.242 0.000 2.066 53 A HA -0.037 4.282 4.320 -0.000 0.000 0.218 53 A C 1.980 179.698 177.584 0.222 0.000 1.157 53 A CA 0.906 53.134 52.037 0.320 0.000 0.670 53 A CB -0.348 18.999 19.000 0.578 0.000 0.804 53 A HN 0.137 nan 8.150 nan 0.000 0.453 54 L N -1.188 120.109 121.223 0.124 0.000 2.131 54 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 54 L C 2.750 179.747 176.870 0.213 0.000 1.087 54 L CA 1.342 56.245 54.840 0.105 0.000 0.767 54 L CB -0.473 41.535 42.059 -0.085 0.000 0.917 54 L HN 0.562 nan 8.230 nan 0.000 0.441 55 Q N 0.662 120.600 119.800 0.230 0.000 2.118 55 Q HA -0.229 4.111 4.340 -0.000 0.000 0.211 55 Q C -0.689 175.323 176.000 0.021 0.000 0.998 55 Q CA 2.496 58.306 55.803 0.012 0.000 0.872 55 Q CB -0.701 27.941 28.738 -0.160 0.000 0.925 55 Q HN 0.344 nan 8.270 nan 0.000 0.414 56 P HA -0.067 nan 4.420 nan 0.000 0.233 56 P C 0.894 178.250 177.300 0.093 0.000 1.167 56 P CA 1.096 64.237 63.100 0.068 0.000 0.770 56 P CB -0.141 31.608 31.700 0.082 0.000 0.837 57 I N -3.280 117.353 120.570 0.104 0.000 4.154 57 I HA 0.240 4.410 4.170 -0.000 0.000 0.334 57 I C 0.248 176.421 176.117 0.093 0.000 1.371 57 I CA -0.593 60.767 61.300 0.100 0.000 1.110 57 I CB 0.786 38.843 38.000 0.096 0.000 1.085 57 I HN -0.306 nan 8.210 nan 0.000 0.398 58 V N -1.146 118.833 119.914 0.109 0.000 3.102 58 V HA 0.726 4.845 4.120 -0.000 0.000 0.312 58 V C 0.378 176.541 176.094 0.114 0.000 1.135 58 V CA -0.304 62.062 62.300 0.110 0.000 1.022 58 V CB 1.320 33.222 31.823 0.131 0.000 1.056 58 V HN 0.306 nan 8.190 nan 0.000 0.436 59 S N 0.368 116.129 115.700 0.102 0.000 2.608 59 S HA 0.294 4.764 4.470 -0.000 0.000 0.261 59 S C 0.759 175.435 174.600 0.126 0.000 1.314 59 S CA 0.382 58.636 58.200 0.090 0.000 0.992 59 S CB 0.664 63.905 63.200 0.069 0.000 0.935 59 S HN 0.858 nan 8.310 nan 0.000 0.564 60 E N 0.763 121.017 120.200 0.090 0.000 2.077 60 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 60 E C 1.839 178.540 176.600 0.167 0.000 0.989 60 E CA 1.598 58.061 56.400 0.105 0.000 0.800 60 E CB -0.182 29.545 29.700 0.044 0.000 0.746 60 E HN 0.723 nan 8.360 nan 0.000 0.452 61 E N 1.019 121.289 120.200 0.117 0.000 2.077 61 E HA -0.175 4.174 4.350 -0.000 0.000 0.193 61 E C 1.815 178.493 176.600 0.130 0.000 0.989 61 E CA 1.137 57.600 56.400 0.105 0.000 0.800 61 E CB -0.105 29.629 29.700 0.057 0.000 0.746 61 E HN 0.315 nan 8.360 nan 0.000 0.452 62 E N -0.669 119.609 120.200 0.130 0.000 2.106 62 E HA -0.168 4.181 4.350 -0.000 0.000 0.192 62 E C 1.766 178.457 176.600 0.151 0.000 0.984 62 E CA 0.735 57.212 56.400 0.129 0.000 0.806 62 E CB -0.243 29.518 29.700 0.103 0.000 0.750 62 E HN 0.343 nan 8.360 nan 0.000 0.458 63 W N 1.515 122.824 121.300 0.015 0.000 2.388 63 W HA -0.119 4.540 4.660 -0.001 0.000 0.294 63 W C 2.382 178.897 176.519 -0.008 0.000 1.212 63 W CA 1.804 59.139 57.345 -0.017 0.000 1.271 63 W CB -0.110 29.334 29.460 -0.026 0.000 1.126 63 W HN 0.023 nan 8.180 nan 0.000 0.535 64 A N -0.679 122.332 122.820 0.318 0.000 1.877 64 A HA -0.311 4.009 4.320 -0.000 0.000 0.216 64 A C 2.068 179.655 177.584 0.006 0.000 1.186 64 A CA 1.989 54.144 52.037 0.196 0.000 0.620 64 A CB -1.612 17.515 19.000 0.212 0.000 0.822 64 A HN 0.616 nan 8.150 nan 0.000 0.443 65 H N -0.458 118.578 119.070 -0.057 0.000 2.293 65 H HA -0.123 4.433 4.556 -0.000 0.000 0.300 65 H C 2.086 177.314 175.328 -0.167 0.000 1.082 65 H CA 1.995 57.991 56.048 -0.086 0.000 1.308 65 H CB -0.042 29.689 29.762 -0.051 0.000 1.375 65 H HN 0.440 nan 8.280 nan 0.000 0.495 66 T N 0.819 115.202 114.554 -0.285 0.000 2.759 66 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 66 T C 1.965 176.360 174.700 -0.509 0.000 1.042 66 T CA 1.718 63.570 62.100 -0.415 0.000 1.140 66 T CB -0.173 68.457 68.868 -0.397 0.000 0.864 66 T HN 0.230 nan 8.240 nan 0.000 0.455 67 K N 1.531 121.540 120.400 -0.652 0.000 2.063 67 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 67 K C 2.272 178.666 176.600 -0.343 0.000 1.048 67 K CA 1.591 57.495 56.287 -0.637 0.000 0.928 67 K CB -0.371 31.692 32.500 -0.728 0.000 0.713 67 K HN 0.397 nan 8.250 nan 0.000 0.442 68 Q N -0.203 119.431 119.800 -0.277 0.000 2.119 68 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 68 Q C 2.154 178.024 176.000 -0.216 0.000 0.972 68 Q CA 1.441 57.128 55.803 -0.193 0.000 0.847 68 Q CB -0.080 28.579 28.738 -0.132 0.000 0.903 68 Q HN 0.303 nan 8.270 nan 0.000 0.433 69 L N -0.253 120.777 121.223 -0.321 0.000 2.056 69 L HA -0.161 4.178 4.340 -0.000 0.000 0.207 69 L C 2.330 179.085 176.870 -0.192 0.000 1.078 69 L CA 0.723 55.389 54.840 -0.289 0.000 0.749 69 L CB -0.506 41.312 42.059 -0.402 0.000 0.901 69 L HN 0.086 nan 8.230 nan 0.000 0.433 70 V N -0.151 119.636 119.914 -0.210 0.000 2.343 70 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 70 V C 2.169 178.237 176.094 -0.043 0.000 1.051 70 V CA 1.844 64.075 62.300 -0.115 0.000 1.036 70 V CB -0.526 31.209 31.823 -0.147 0.000 0.654 70 V HN 0.436 nan 8.190 nan 0.000 0.451 71 D N -0.193 120.151 120.400 -0.092 0.000 2.097 71 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 71 D C 2.206 178.479 176.300 -0.045 0.000 0.989 71 D CA 1.544 55.504 54.000 -0.066 0.000 0.827 71 D CB -0.149 40.606 40.800 -0.075 0.000 0.966 71 D HN 0.455 nan 8.370 nan 0.000 0.456 72 E N -0.296 119.877 120.200 -0.046 0.000 2.268 72 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 72 E C 1.680 178.283 176.600 0.005 0.000 0.995 72 E CA 0.338 56.720 56.400 -0.031 0.000 0.836 72 E CB -0.283 29.392 29.700 -0.041 0.000 0.763 72 E HN 0.211 nan 8.360 nan 0.000 0.491 73 F N 1.580 121.438 119.950 -0.153 0.000 2.074 73 F HA -0.039 4.488 4.527 -0.000 0.000 0.290 73 F C 2.023 177.743 175.800 -0.133 0.000 1.118 73 F CA 1.876 59.776 58.000 -0.165 0.000 1.199 73 F CB -0.613 38.246 39.000 -0.235 0.000 1.012 73 F HN 0.099 nan 8.300 nan 0.000 0.472 74 Q N 0.466 120.181 119.800 -0.141 0.000 2.431 74 Q HA 0.037 4.377 4.340 -0.000 0.000 0.210 74 Q C 0.738 176.637 176.000 -0.168 0.000 0.958 74 Q CA 0.502 56.164 55.803 -0.234 0.000 0.957 74 Q CB -0.998 27.689 28.738 -0.086 0.000 1.007 74 Q HN 0.282 nan 8.270 nan 0.000 0.511 75 T N 1.807 116.277 114.554 -0.140 0.000 2.934 75 T HA -0.052 4.298 4.350 -0.000 0.000 0.321 75 T C 0.292 174.927 174.700 -0.109 0.000 1.080 75 T CA 0.549 62.588 62.100 -0.102 0.000 1.132 75 T CB 0.409 69.227 68.868 -0.084 0.000 1.039 75 T HN 0.553 nan 8.240 nan 0.000 0.543 76 S N 3.025 118.677 115.700 -0.080 0.000 3.065 76 S HA 0.488 4.958 4.470 -0.000 0.000 0.311 76 S C 0.808 175.367 174.600 -0.068 0.000 1.204 76 S CA -0.133 58.024 58.200 -0.073 0.000 1.040 76 S CB -0.194 62.973 63.200 -0.055 0.000 1.436 76 S HN 1.482 nan 8.310 nan 0.000 0.532 77 G N 0.774 109.525 108.800 -0.082 0.000 2.414 77 G HA2 0.384 4.344 3.960 -0.000 0.000 0.191 77 G HA3 0.384 4.344 3.960 -0.000 0.000 0.191 77 G C 0.009 174.860 174.900 -0.082 0.000 1.082 77 G CA -0.338 44.719 45.100 -0.071 0.000 0.785 77 G HN 1.308 nan 8.290 nan 0.000 0.484 78 G N -1.621 107.109 108.800 -0.116 0.000 2.706 78 G HA2 0.675 4.635 3.960 -0.000 0.000 0.307 78 G HA3 0.675 4.635 3.960 -0.000 0.000 0.307 78 G C 0.876 175.668 174.900 -0.180 0.000 1.307 78 G CA 0.525 45.546 45.100 -0.131 0.000 0.790 78 G HN 0.805 nan 8.290 nan 0.000 0.503 79 V N 1.128 120.932 119.914 -0.184 0.000 2.282 79 V HA -0.100 4.020 4.120 -0.000 0.000 0.249 79 V C 3.164 179.016 176.094 -0.403 0.000 1.057 79 V CA 2.992 65.178 62.300 -0.190 0.000 1.032 79 V CB -1.336 30.462 31.823 -0.041 0.000 0.645 79 V HN 0.965 nan 8.190 nan 0.000 0.447 80 G N -0.434 107.800 108.800 -0.943 0.000 2.553 80 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 80 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 80 G C 1.466 176.062 174.900 -0.507 0.000 1.195 80 G CA 1.166 45.502 45.100 -1.274 0.000 0.779 80 G HN 0.582 nan 8.290 nan 0.000 0.577 81 E N -0.358 119.629 120.200 -0.356 0.000 2.204 81 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 81 E C 2.514 179.032 176.600 -0.136 0.000 0.990 81 E CA 0.494 56.777 56.400 -0.195 0.000 0.821 81 E CB -0.067 29.541 29.700 -0.153 0.000 0.750 81 E HN 0.415 nan 8.360 nan 0.000 0.477 82 R N 0.700 121.116 120.500 -0.139 0.000 2.075 82 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 82 R C 2.245 178.516 176.300 -0.049 0.000 1.126 82 R CA 0.882 56.934 56.100 -0.079 0.000 0.963 82 R CB -0.053 30.207 30.300 -0.067 0.000 0.858 82 R HN 0.149 nan 8.270 nan 0.000 0.435 83 L N 0.369 121.561 121.223 -0.050 0.000 2.093 83 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 83 L C 2.670 179.548 176.870 0.014 0.000 1.085 83 L CA 1.127 55.978 54.840 0.019 0.000 0.755 83 L CB -0.476 41.634 42.059 0.085 0.000 0.904 83 L HN 0.255 nan 8.230 nan 0.000 0.435 84 Q N 0.982 120.769 119.800 -0.021 0.000 2.096 84 Q HA -0.227 4.112 4.340 -0.000 0.000 0.204 84 Q C 2.076 178.048 176.000 -0.047 0.000 0.982 84 Q CA 1.793 57.590 55.803 -0.010 0.000 0.850 84 Q CB -0.038 28.687 28.738 -0.021 0.000 0.901 84 Q HN 0.285 nan 8.270 nan 0.000 0.422 85 K N -0.973 119.398 120.400 -0.049 0.000 2.147 85 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 85 K C 1.971 178.546 176.600 -0.042 0.000 1.049 85 K CA 1.027 57.285 56.287 -0.049 0.000 0.936 85 K CB -0.413 32.062 32.500 -0.042 0.000 0.722 85 K HN 0.422 nan 8.250 nan 0.000 0.446 86 G N 1.245 110.034 108.800 -0.019 0.000 2.418 86 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 86 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 86 G C 1.447 176.335 174.900 -0.020 0.000 1.158 86 G CA 0.475 45.578 45.100 0.006 0.000 0.771 86 G HN 0.095 nan 8.290 nan 0.000 0.545 87 L N 0.120 121.306 121.223 -0.061 0.000 2.056 87 L HA -0.044 4.295 4.340 -0.000 0.000 0.207 87 L C 2.895 179.603 176.870 -0.271 0.000 1.078 87 L CA 1.178 55.892 54.840 -0.209 0.000 0.749 87 L CB -0.437 41.413 42.059 -0.348 0.000 0.901 87 L HN 0.312 nan 8.230 nan 0.000 0.433 88 E N -0.071 120.012 120.200 -0.195 0.000 2.110 88 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 88 E C 2.324 178.862 176.600 -0.103 0.000 0.988 88 E CA 0.914 57.219 56.400 -0.159 0.000 0.804 88 E CB -0.036 29.597 29.700 -0.112 0.000 0.745 88 E HN 0.436 nan 8.360 nan 0.000 0.458 89 R N 0.471 120.926 120.500 -0.075 0.000 2.090 89 R HA -0.026 4.314 4.340 -0.000 0.000 0.228 89 R C 2.434 178.706 176.300 -0.046 0.000 1.110 89 R CA 0.678 56.751 56.100 -0.046 0.000 0.973 89 R CB -0.190 30.093 30.300 -0.028 0.000 0.869 89 R HN 0.051 nan 8.270 nan 0.000 0.440 90 R N 0.820 121.282 120.500 -0.065 0.000 2.081 90 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 90 R C 2.090 178.377 176.300 -0.021 0.000 1.131 90 R CA 1.547 57.609 56.100 -0.064 0.000 0.960 90 R CB -0.185 30.050 30.300 -0.109 0.000 0.856 90 R HN 0.200 nan 8.270 nan 0.000 0.436 91 A N 0.836 123.639 122.820 -0.028 0.000 2.015 91 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 91 A C 1.830 179.432 177.584 0.030 0.000 1.163 91 A CA 1.279 53.343 52.037 0.046 0.000 0.646 91 A CB -0.173 18.822 19.000 -0.009 0.000 0.806 91 A HN 0.302 nan 8.150 nan 0.000 0.448 92 K N -0.253 120.145 120.400 -0.003 0.000 2.296 92 K HA -0.056 4.264 4.320 -0.000 0.000 0.200 92 K C 1.338 177.940 176.600 0.004 0.000 1.048 92 K CA 1.315 57.602 56.287 0.001 0.000 0.966 92 K CB 0.028 32.522 32.500 -0.011 0.000 0.754 92 K HN 0.695 nan 8.250 nan 0.000 0.466 93 K N -0.118 120.281 120.400 -0.002 0.000 2.399 93 K HA 0.235 4.555 4.320 -0.000 0.000 0.204 93 K C 0.095 176.692 176.600 -0.004 0.000 1.023 93 K CA -0.011 56.273 56.287 -0.004 0.000 1.127 93 K CB 0.475 32.968 32.500 -0.012 0.000 0.856 93 K HN -0.061 nan 8.250 nan 0.000 0.514 94 M N 0.668 120.273 119.600 0.008 0.000 2.531 94 M HA 0.241 4.721 4.480 -0.000 0.000 0.286 94 M C -0.015 176.308 176.300 0.038 0.000 1.232 94 M CA -0.585 54.718 55.300 0.006 0.000 0.877 94 M CB 2.524 35.109 32.600 -0.025 0.000 1.726 94 M HN -0.049 nan 8.290 nan 0.000 0.463 95 E N 1.074 121.301 120.200 0.045 0.000 2.110 95 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 95 E C 0.349 177.001 176.600 0.088 0.000 0.988 95 E CA 1.001 57.465 56.400 0.107 0.000 0.804 95 E CB 0.201 29.988 29.700 0.145 0.000 0.745 95 E HN 0.414 nan 8.360 nan 0.000 0.458 96 N N -0.340 118.358 118.700 -0.002 0.000 2.533 96 N HA -0.020 4.720 4.740 -0.000 0.000 0.289 96 N C 0.063 175.509 175.510 -0.106 0.000 1.103 96 N CA -0.494 52.509 53.050 -0.077 0.000 0.877 96 N CB 0.654 39.043 38.487 -0.164 0.000 1.419 96 N HN 0.199 nan 8.380 nan 0.000 0.517 97 W N 4.032 125.263 121.300 -0.115 0.000 2.421 97 W HA -0.078 4.581 4.660 -0.001 0.000 0.270 97 W C 0.372 176.766 176.519 -0.208 0.000 1.233 97 W CA 0.277 57.508 57.345 -0.191 0.000 1.226 97 W CB -0.147 29.221 29.460 -0.153 0.000 1.121 97 W HN 0.428 nan 8.180 nan 0.000 0.579 98 L N 1.702 122.454 121.223 -0.785 0.000 2.408 98 L HA 0.118 4.458 4.340 -0.000 0.000 0.215 98 L C 2.572 179.334 176.870 -0.179 0.000 1.081 98 L CA 1.532 55.965 54.840 -0.679 0.000 0.840 98 L CB -0.662 40.651 42.059 -1.244 0.000 1.002 98 L HN -0.196 nan 8.230 nan 0.000 0.468 99 S N 0.248 115.838 115.700 -0.183 0.000 2.401 99 S HA -0.361 4.109 4.470 -0.000 0.000 0.236 99 S C 1.840 176.490 174.600 0.083 0.000 1.058 99 S CA 2.267 60.450 58.200 -0.027 0.000 1.151 99 S CB -0.487 62.669 63.200 -0.073 0.000 1.049 99 S HN 0.595 nan 8.310 nan 0.000 0.432 100 E N -0.497 119.719 120.200 0.025 0.000 2.058 100 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 100 E C 1.976 178.709 176.600 0.221 0.000 0.997 100 E CA 1.273 57.717 56.400 0.074 0.000 0.801 100 E CB -0.098 29.596 29.700 -0.010 0.000 0.746 100 E HN 0.554 nan 8.360 nan 0.000 0.450 101 W N 0.443 121.791 121.300 0.079 0.000 2.338 101 W HA -0.198 4.462 4.660 -0.000 0.000 0.304 101 W C 2.167 178.748 176.519 0.102 0.000 1.212 101 W CA 0.466 57.866 57.345 0.092 0.000 1.264 101 W CB -1.337 28.205 29.460 0.137 0.000 1.142 101 W HN 0.392 nan 8.180 nan 0.000 0.512 102 W N 0.458 121.859 121.300 0.168 0.000 2.379 102 W HA -0.209 4.450 4.660 -0.001 0.000 0.307 102 W C 2.108 178.645 176.519 0.030 0.000 1.200 102 W CA 1.190 58.557 57.345 0.038 0.000 1.297 102 W CB -0.717 28.735 29.460 -0.014 0.000 1.140 102 W HN -0.189 nan 8.180 nan 0.000 0.507 103 L N 2.269 123.540 121.223 0.081 0.000 2.042 103 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 103 L C 2.567 179.414 176.870 -0.038 0.000 1.076 103 L CA 2.640 57.507 54.840 0.045 0.000 0.749 103 L CB -1.179 40.954 42.059 0.123 0.000 0.893 103 L HN -0.063 nan 8.230 nan 0.000 0.432 104 K N -1.575 118.823 120.400 -0.003 0.000 2.001 104 K HA -0.144 4.175 4.320 -0.000 0.000 0.208 104 K C 1.874 178.402 176.600 -0.119 0.000 1.048 104 K CA 1.919 58.200 56.287 -0.010 0.000 0.932 104 K CB -0.237 32.308 32.500 0.075 0.000 0.715 104 K HN 0.393 nan 8.250 nan 0.000 0.437 105 T N 0.504 114.943 114.554 -0.192 0.000 2.777 105 T HA -0.043 4.306 4.350 -0.000 0.000 0.266 105 T C 1.818 176.191 174.700 -0.545 0.000 1.040 105 T CA 1.270 63.199 62.100 -0.286 0.000 1.141 105 T CB -0.150 68.589 68.868 -0.215 0.000 0.868 105 T HN 0.402 nan 8.240 nan 0.000 0.444 106 A N -0.593 121.623 122.820 -1.006 0.000 2.021 106 A HA 0.184 4.503 4.320 -0.000 0.000 0.216 106 A C 1.552 178.293 177.584 -1.404 0.000 1.163 106 A CA 0.817 51.923 52.037 -1.552 0.000 0.676 106 A CB -0.261 17.114 19.000 -2.708 0.000 0.818 106 A HN 0.632 nan 8.150 nan 0.000 0.453 107 Y N -1.873 118.204 120.300 -0.372 0.000 3.011 107 Y HA 0.278 4.828 4.550 -0.001 0.000 0.231 107 Y C 1.938 177.822 175.900 -0.027 0.000 0.983 107 Y CA -0.303 57.709 58.100 -0.147 0.000 1.429 107 Y CB -0.089 38.281 38.460 -0.150 0.000 1.491 107 Y HN -0.017 nan 8.280 nan 0.000 0.444 108 L N 0.571 121.859 121.223 0.108 0.000 2.079 108 L HA -0.244 4.095 4.340 -0.000 0.000 0.210 108 L C 1.502 178.395 176.870 0.038 0.000 1.081 108 L CA 1.769 56.650 54.840 0.068 0.000 0.752 108 L CB -0.500 41.589 42.059 0.050 0.000 0.896 108 L HN 0.416 nan 8.230 nan 0.000 0.433 109 Q N -1.091 118.719 119.800 0.018 0.000 2.319 109 Q HA 0.047 4.387 4.340 -0.000 0.000 0.202 109 Q C -0.054 175.979 176.000 0.055 0.000 0.896 109 Q CA -0.281 55.531 55.803 0.014 0.000 0.942 109 Q CB 0.405 29.137 28.738 -0.010 0.000 1.083 109 Q HN 0.197 nan 8.270 nan 0.000 0.510 110 F N 1.785 121.662 119.950 -0.122 0.000 2.438 110 F HA 0.152 4.678 4.527 -0.001 0.000 0.360 110 F C 0.622 176.347 175.800 -0.125 0.000 1.118 110 F CA -0.558 57.359 58.000 -0.137 0.000 1.164 110 F CB 0.517 39.419 39.000 -0.165 0.000 1.131 110 F HN -0.168 nan 8.300 nan 0.000 0.527 111 R N 2.730 122.980 120.500 -0.416 0.000 2.310 111 R HA 0.097 4.437 4.340 -0.000 0.000 0.202 111 R C 0.468 176.150 176.300 -1.030 0.000 0.933 111 R CA 0.109 55.886 56.100 -0.540 0.000 1.054 111 R CB -0.370 29.785 30.300 -0.241 0.000 0.985 111 R HN 0.601 nan 8.270 nan 0.000 0.489 112 Q N 1.142 120.189 119.800 -1.256 0.000 2.443 112 Q HA 0.214 4.554 4.340 -0.000 0.000 0.232 112 Q C -2.132 173.488 176.000 -0.634 0.000 1.026 112 Q CA -2.066 53.144 55.803 -0.988 0.000 0.924 112 Q CB -0.220 27.919 28.738 -0.997 0.000 1.256 112 Q HN -0.051 nan 8.270 nan 0.000 0.519 113 P HA -0.105 nan 4.420 nan 0.000 0.266 113 P C 0.867 178.126 177.300 -0.069 0.000 1.193 113 P CA 0.243 63.270 63.100 -0.120 0.000 0.770 113 P CB 0.425 32.105 31.700 -0.034 0.000 0.836 114 V N 0.966 120.816 119.914 -0.105 0.000 2.719 114 V HA -0.046 4.074 4.120 -0.000 0.000 0.252 114 V C 0.827 176.849 176.094 -0.120 0.000 1.065 114 V CA 0.873 63.159 62.300 -0.025 0.000 1.086 114 V CB -0.789 31.041 31.823 0.011 0.000 0.700 114 V HN 0.142 nan 8.190 nan 0.000 0.467 115 V N 2.343 122.058 119.914 -0.332 0.000 2.529 115 V HA 0.205 4.324 4.120 -0.000 0.000 0.292 115 V C 1.363 177.161 176.094 -0.494 0.000 1.028 115 V CA 1.060 63.054 62.300 -0.511 0.000 1.074 115 V CB 0.048 31.380 31.823 -0.818 0.000 0.958 115 V HN 0.629 nan 8.190 nan 0.000 0.481 116 I N 1.585 121.962 120.570 -0.323 0.000 4.431 116 I HA -0.432 3.738 4.170 -0.000 0.000 0.062 116 I C 1.453 177.484 176.117 -0.144 0.000 0.596 116 I CA 1.950 63.075 61.300 -0.291 0.000 1.045 116 I CB -1.304 36.351 38.000 -0.575 0.000 0.935 116 I HN 0.640 nan 8.210 nan 0.000 0.166 117 Y N 0.034 120.420 120.300 0.144 0.000 2.516 117 Y HA -0.020 4.529 4.550 -0.001 0.000 0.291 117 Y C 2.389 178.446 175.900 0.262 0.000 1.131 117 Y CA 1.081 59.323 58.100 0.237 0.000 1.281 117 Y CB 0.055 38.661 38.460 0.243 0.000 1.013 117 Y HN 0.377 nan 8.280 nan 0.000 0.554 118 S N -1.601 114.268 115.700 0.281 0.000 3.448 118 S HA 0.110 4.580 4.470 -0.000 0.000 0.254 118 S C 0.479 175.150 174.600 0.119 0.000 1.102 118 S CA -0.255 58.092 58.200 0.244 0.000 0.797 118 S CB -0.412 62.998 63.200 0.351 0.000 0.891 118 S HN 0.055 nan 8.310 nan 0.000 0.474 119 S N 4.302 120.013 115.700 0.019 0.000 2.430 119 S HA 0.442 4.912 4.470 -0.000 0.000 0.282 119 S C -2.672 171.779 174.600 -0.249 0.000 1.186 119 S CA -0.661 57.450 58.200 -0.149 0.000 1.060 119 S CB 0.995 64.155 63.200 -0.067 0.000 0.966 119 S HN 0.401 nan 8.310 nan 0.000 0.501 120 P HA 0.341 nan 4.420 nan 0.000 0.274 120 P C 0.165 177.175 177.300 -0.483 0.000 1.231 120 P CA -0.244 62.591 63.100 -0.442 0.000 0.790 120 P CB 0.632 32.020 31.700 -0.519 0.000 0.951 121 G N 0.336 108.815 108.800 -0.535 0.000 2.489 121 G HA2 0.618 4.578 3.960 -0.000 0.000 0.327 121 G HA3 0.618 4.578 3.960 -0.000 0.000 0.327 121 G C -1.451 172.799 174.900 -1.084 0.000 1.189 121 G CA -0.619 44.114 45.100 -0.612 0.000 0.962 121 G HN 0.359 nan 8.290 nan 0.000 0.486 122 V N 0.876 120.488 119.914 -0.504 0.000 2.760 122 V HA 0.454 4.573 4.120 -0.000 0.000 0.309 122 V C -0.519 175.637 176.094 0.103 0.000 1.077 122 V CA -0.590 61.550 62.300 -0.266 0.000 0.910 122 V CB 1.955 33.722 31.823 -0.092 0.000 1.008 122 V HN 0.654 nan 8.190 nan 0.000 0.424 123 I N 4.855 125.584 120.570 0.266 0.000 2.362 123 I HA 0.452 4.621 4.170 -0.000 0.000 0.289 123 I C -0.420 175.795 176.117 0.163 0.000 0.994 123 I CA -0.303 61.148 61.300 0.252 0.000 1.158 123 I CB 1.512 39.667 38.000 0.258 0.000 1.315 123 I HN 0.391 nan 8.210 nan 0.000 0.451 124 L N 7.146 128.455 121.223 0.143 0.000 2.416 124 L HA 0.522 4.862 4.340 -0.000 0.000 0.263 124 L C -2.216 174.713 176.870 0.099 0.000 1.065 124 L CA -1.977 52.940 54.840 0.128 0.000 0.798 124 L CB 0.523 42.682 42.059 0.166 0.000 1.267 124 L HN 0.267 nan 8.230 nan 0.000 0.467 125 P HA -0.013 nan 4.420 nan 0.000 0.265 125 P C -0.936 176.358 177.300 -0.010 0.000 1.193 125 P CA 0.034 63.158 63.100 0.040 0.000 0.765 125 P CB 0.388 32.111 31.700 0.038 0.000 0.823 126 K N 3.228 123.609 120.400 -0.031 0.000 2.326 126 K HA 0.058 4.378 4.320 -0.000 0.000 0.275 126 K C 0.199 176.679 176.600 -0.200 0.000 1.018 126 K CA -0.310 55.918 56.287 -0.098 0.000 0.962 126 K CB 0.375 32.840 32.500 -0.059 0.000 0.953 126 K HN 0.378 nan 8.250 nan 0.000 0.475 127 Q N 1.686 121.273 119.800 -0.355 0.000 2.199 127 Q HA 0.050 4.390 4.340 -0.000 0.000 0.232 127 Q C 0.098 175.847 176.000 -0.417 0.000 0.969 127 Q CA -0.258 55.288 55.803 -0.429 0.000 0.925 127 Q CB 1.292 29.643 28.738 -0.645 0.000 1.198 127 Q HN 0.798 nan 8.270 nan 0.000 0.494 128 D N -0.966 119.275 120.400 -0.264 0.000 2.328 128 D HA 0.010 4.650 4.640 -0.000 0.000 0.221 128 D C 0.351 176.557 176.300 -0.156 0.000 1.072 128 D CA -0.220 53.658 54.000 -0.203 0.000 0.850 128 D CB -0.489 40.250 40.800 -0.101 0.000 0.922 128 D HN 0.320 nan 8.370 nan 0.000 0.516 129 F N 0.559 120.459 119.950 -0.083 0.000 2.496 129 F HA 0.340 4.867 4.527 -0.000 0.000 0.344 129 F C 1.039 176.818 175.800 -0.035 0.000 1.155 129 F CA -1.086 56.886 58.000 -0.046 0.000 1.302 129 F CB 0.782 39.770 39.000 -0.020 0.000 1.159 129 F HN -0.161 nan 8.300 nan 0.000 0.595 130 V N -1.770 118.262 119.914 0.196 0.000 3.337 130 V HA 0.382 4.501 4.120 -0.000 0.000 0.307 130 V C -1.112 175.067 176.094 0.143 0.000 1.505 130 V CA 0.272 62.633 62.300 0.101 0.000 1.072 130 V CB -0.969 30.866 31.823 0.020 0.000 0.929 130 V HN 0.937 nan 8.190 nan 0.000 0.455 131 D N -1.465 119.051 120.400 0.193 0.000 2.596 131 D HA 0.454 5.094 4.640 -0.000 0.000 0.262 131 D C 0.834 177.150 176.300 0.028 0.000 1.210 131 D CA -0.808 53.247 54.000 0.091 0.000 0.873 131 D CB 0.761 41.579 40.800 0.030 0.000 1.408 131 D HN -0.191 nan 8.370 nan 0.000 0.441 132 L N 0.105 121.275 121.223 -0.089 0.000 2.043 132 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 132 L C 2.393 179.083 176.870 -0.299 0.000 1.075 132 L CA 2.304 56.982 54.840 -0.270 0.000 0.752 132 L CB -2.101 39.612 42.059 -0.576 0.000 0.891 132 L HN 0.726 nan 8.230 nan 0.000 0.432 133 Q N 0.453 120.125 119.800 -0.213 0.000 2.084 133 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 133 Q C 2.152 178.112 176.000 -0.067 0.000 0.978 133 Q CA 1.950 57.703 55.803 -0.084 0.000 0.844 133 Q CB -1.397 27.321 28.738 -0.034 0.000 0.898 133 Q HN 0.345 nan 8.270 nan 0.000 0.426 134 G N 0.184 108.927 108.800 -0.096 0.000 2.408 134 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.217 134 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.217 134 G C 1.415 176.033 174.900 -0.469 0.000 1.150 134 G CA 0.576 45.615 45.100 -0.100 0.000 0.776 134 G HN 0.499 nan 8.290 nan 0.000 0.542 135 Q N -0.258 119.089 119.800 -0.754 0.000 2.050 135 Q HA -0.001 4.338 4.340 -0.000 0.000 0.202 135 Q C 2.526 178.227 176.000 -0.497 0.000 0.980 135 Q CA 0.949 56.020 55.803 -1.219 0.000 0.840 135 Q CB -0.196 28.190 28.738 -0.587 0.000 0.898 135 Q HN 0.494 nan 8.270 nan 0.000 0.424 136 L N 0.043 121.114 121.223 -0.253 0.000 2.093 136 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 136 L C 2.701 179.627 176.870 0.094 0.000 1.085 136 L CA 0.678 55.471 54.840 -0.079 0.000 0.755 136 L CB -0.404 41.595 42.059 -0.100 0.000 0.904 136 L HN 0.164 nan 8.230 nan 0.000 0.435 137 R N -0.294 120.260 120.500 0.090 0.000 2.081 137 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 137 R C 2.194 178.508 176.300 0.024 0.000 1.131 137 R CA 1.447 57.556 56.100 0.016 0.000 0.960 137 R CB -0.837 29.371 30.300 -0.154 0.000 0.856 137 R HN 0.268 nan 8.270 nan 0.000 0.436 138 F N 1.393 121.268 119.950 -0.126 0.000 2.186 138 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 138 F C 2.153 177.941 175.800 -0.018 0.000 1.090 138 F CA 0.972 58.946 58.000 -0.044 0.000 1.307 138 F CB -0.386 38.619 39.000 0.007 0.000 1.019 138 F HN -0.001 nan 8.300 nan 0.000 0.489 139 A N 0.547 123.244 122.820 -0.206 0.000 1.933 139 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 139 A C 2.438 179.897 177.584 -0.208 0.000 1.175 139 A CA 1.767 53.666 52.037 -0.230 0.000 0.628 139 A CB -1.535 17.418 19.000 -0.079 0.000 0.814 139 A HN 0.493 nan 8.150 nan 0.000 0.444 140 A N -0.767 121.988 122.820 -0.108 0.000 1.930 140 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 140 A C 2.155 179.684 177.584 -0.092 0.000 1.175 140 A CA 1.791 53.796 52.037 -0.053 0.000 0.627 140 A CB -0.331 18.708 19.000 0.066 0.000 0.815 140 A HN 0.305 nan 8.150 nan 0.000 0.443 141 K N -0.374 119.945 120.400 -0.134 0.000 2.103 141 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 141 K C 1.948 178.440 176.600 -0.179 0.000 1.052 141 K CA 1.187 57.420 56.287 -0.089 0.000 0.945 141 K CB -0.529 31.943 32.500 -0.048 0.000 0.722 141 K HN 0.572 nan 8.250 nan 0.000 0.443 142 L N 0.657 121.623 121.223 -0.428 0.000 2.027 142 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 142 L C 2.196 178.843 176.870 -0.371 0.000 1.074 142 L CA 1.133 55.691 54.840 -0.470 0.000 0.745 142 L CB -0.189 41.468 42.059 -0.670 0.000 0.898 142 L HN 0.058 nan 8.230 nan 0.000 0.433 143 I N 0.139 120.559 120.570 -0.249 0.000 2.163 143 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 143 I C 2.567 178.611 176.117 -0.122 0.000 1.085 143 I CA 1.886 63.135 61.300 -0.086 0.000 1.347 143 I CB -0.407 37.585 38.000 -0.013 0.000 1.044 143 I HN 0.427 nan 8.210 nan 0.000 0.408 144 E N 0.999 121.113 120.200 -0.144 0.000 2.118 144 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 144 E C 2.249 178.592 176.600 -0.429 0.000 0.992 144 E CA 1.337 57.633 56.400 -0.173 0.000 0.804 144 E CB -0.192 29.499 29.700 -0.015 0.000 0.741 144 E HN 0.528 nan 8.360 nan 0.000 0.458 145 G N 0.230 108.740 108.800 -0.483 0.000 2.408 145 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 145 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 145 G C 1.619 176.297 174.900 -0.370 0.000 1.150 145 G CA 0.785 45.462 45.100 -0.706 0.000 0.776 145 G HN 0.225 nan 8.290 nan 0.000 0.542 146 V N 1.052 120.755 119.914 -0.352 0.000 2.427 146 V HA -0.083 4.037 4.120 -0.000 0.000 0.248 146 V C 2.869 178.906 176.094 -0.094 0.000 1.051 146 V CA 1.191 63.297 62.300 -0.323 0.000 1.048 146 V CB -0.393 30.936 31.823 -0.824 0.000 0.666 146 V HN 0.333 nan 8.190 nan 0.000 0.456 147 L N 0.048 121.223 121.223 -0.080 0.000 2.131 147 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 147 L C 2.304 179.153 176.870 -0.034 0.000 1.092 147 L CA 1.943 56.779 54.840 -0.007 0.000 0.759 147 L CB -0.640 41.355 42.059 -0.108 0.000 0.903 147 L HN 0.400 nan 8.230 nan 0.000 0.435 148 D N -0.091 120.225 120.400 -0.141 0.000 2.144 148 D HA -0.249 4.391 4.640 -0.000 0.000 0.200 148 D C 2.021 178.281 176.300 -0.067 0.000 0.978 148 D CA 1.020 54.969 54.000 -0.085 0.000 0.833 148 D CB -0.004 40.663 40.800 -0.221 0.000 0.961 148 D HN 0.230 nan 8.370 nan 0.000 0.470 149 F N 1.107 120.883 119.950 -0.291 0.000 2.146 149 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 149 F C 2.152 177.792 175.800 -0.267 0.000 1.096 149 F CA 1.265 58.955 58.000 -0.516 0.000 1.275 149 F CB -0.090 38.644 39.000 -0.444 0.000 1.008 149 F HN -0.187 nan 8.300 nan 0.000 0.480 150 K N 0.423 120.793 120.400 -0.050 0.000 2.211 150 K HA -0.197 4.123 4.320 -0.000 0.000 0.204 150 K C 2.215 178.749 176.600 -0.111 0.000 1.047 150 K CA 1.554 57.810 56.287 -0.052 0.000 0.935 150 K CB -0.311 32.260 32.500 0.118 0.000 0.728 150 K HN 0.448 nan 8.250 nan 0.000 0.452 151 S N 0.658 116.305 115.700 -0.088 0.000 2.383 151 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 151 S C 1.986 176.505 174.600 -0.134 0.000 1.030 151 S CA 1.504 59.669 58.200 -0.059 0.000 1.002 151 S CB -0.368 62.823 63.200 -0.015 0.000 0.829 151 S HN 0.345 nan 8.310 nan 0.000 0.467 152 M N 0.573 120.010 119.600 -0.271 0.000 2.296 152 M HA 0.125 4.605 4.480 -0.000 0.000 0.265 152 M C 2.077 178.199 176.300 -0.297 0.000 1.064 152 M CA 1.181 56.296 55.300 -0.307 0.000 1.109 152 M CB -0.499 31.817 32.600 -0.472 0.000 1.396 152 M HN 0.341 nan 8.290 nan 0.000 0.430 153 I N -0.059 120.295 120.570 -0.360 0.000 2.333 153 I HA -0.240 3.929 4.170 -0.000 0.000 0.246 153 I C 1.754 177.859 176.117 -0.021 0.000 1.106 153 I CA 0.961 62.082 61.300 -0.298 0.000 1.411 153 I CB -0.453 37.323 38.000 -0.373 0.000 1.082 153 I HN 0.211 nan 8.210 nan 0.000 0.420 154 D N 0.986 121.370 120.400 -0.027 0.000 2.178 154 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 154 D C 1.495 177.814 176.300 0.032 0.000 0.980 154 D CA 1.110 55.127 54.000 0.029 0.000 0.842 154 D CB -0.300 40.499 40.800 -0.001 0.000 0.948 154 D HN 0.357 nan 8.370 nan 0.000 0.472 155 N N 0.720 119.420 118.700 0.001 0.000 2.280 155 N HA -0.022 4.718 4.740 -0.000 0.000 0.192 155 N C -0.212 175.304 175.510 0.010 0.000 1.109 155 N CA 0.091 53.140 53.050 -0.000 0.000 0.855 155 N CB 0.607 39.083 38.487 -0.018 0.000 0.974 155 N HN 0.277 nan 8.380 nan 0.000 0.482 156 E N -0.533 119.695 120.200 0.047 0.000 2.586 156 E HA -0.182 4.168 4.350 -0.000 0.000 0.259 156 E C -0.090 176.510 176.600 -0.000 0.000 1.107 156 E CA 0.954 57.406 56.400 0.087 0.000 0.754 156 E CB -1.953 27.786 29.700 0.065 0.000 1.335 156 E HN 0.481 nan 8.360 nan 0.000 0.411 157 T N -2.150 112.370 114.554 -0.056 0.000 3.163 157 T HA 0.273 4.623 4.350 -0.000 0.000 0.252 157 T C 0.524 175.146 174.700 -0.130 0.000 1.056 157 T CA -0.479 61.576 62.100 -0.076 0.000 0.947 157 T CB 0.159 68.988 68.868 -0.065 0.000 1.016 157 T HN 0.128 nan 8.240 nan 0.000 0.554 158 L N 3.419 124.530 121.223 -0.188 0.000 2.477 158 L HA 0.347 4.686 4.340 -0.000 0.000 0.272 158 L C -2.391 174.344 176.870 -0.226 0.000 1.157 158 L CA -1.890 52.773 54.840 -0.295 0.000 0.889 158 L CB -0.016 41.767 42.059 -0.460 0.000 1.158 158 L HN -0.042 nan 8.230 nan 0.000 0.473 159 P HA -0.009 nan 4.420 nan 0.000 0.260 159 P C -0.765 176.405 177.300 -0.216 0.000 1.185 159 P CA -0.138 62.873 63.100 -0.147 0.000 0.763 159 P CB 0.311 31.962 31.700 -0.082 0.000 0.776 160 V N 4.454 124.200 119.914 -0.279 0.000 2.599 160 V HA -0.058 4.062 4.120 -0.000 0.000 0.300 160 V C 0.996 176.763 176.094 -0.544 0.000 1.034 160 V CA 0.452 62.454 62.300 -0.496 0.000 1.115 160 V CB -0.159 31.175 31.823 -0.815 0.000 0.934 160 V HN 0.545 nan 8.190 nan 0.000 0.485 161 E N 3.678 123.610 120.200 -0.448 0.000 2.319 161 E HA 0.544 4.894 4.350 -0.000 0.000 0.268 161 E C -1.279 174.995 176.600 -0.544 0.000 1.050 161 E CA -0.312 55.900 56.400 -0.314 0.000 0.878 161 E CB 1.271 30.932 29.700 -0.064 0.000 1.066 161 E HN 0.480 nan 8.360 nan 0.000 0.406 162 F N 1.232 121.198 119.950 0.028 0.000 2.577 162 F HA 0.436 4.963 4.527 -0.001 0.000 0.318 162 F C -0.510 175.305 175.800 0.026 0.000 1.065 162 F CA -1.007 57.010 58.000 0.028 0.000 0.929 162 F CB 1.518 40.526 39.000 0.013 0.000 1.237 162 F HN 0.164 nan 8.300 nan 0.000 0.468 163 L N 1.896 123.253 121.223 0.223 0.000 2.482 163 L HA 0.487 4.827 4.340 -0.000 0.000 0.269 163 L C 0.316 177.245 176.870 0.097 0.000 0.967 163 L CA -0.111 54.802 54.840 0.122 0.000 0.851 163 L CB 1.073 43.175 42.059 0.071 0.000 1.242 163 L HN 0.833 nan 8.230 nan 0.000 0.404 164 G N 3.470 112.314 108.800 0.074 0.000 2.225 164 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.267 164 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.267 164 G C 1.076 176.001 174.900 0.041 0.000 1.024 164 G CA 0.945 46.073 45.100 0.047 0.000 0.784 164 G HN 2.036 nan 8.290 nan 0.000 0.507 165 G N -1.986 106.845 108.800 0.053 0.000 2.234 165 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 165 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 165 G C 0.327 175.270 174.900 0.072 0.000 0.987 165 G CA 1.044 46.145 45.100 0.000 0.000 0.625 165 G HN 1.207 nan 8.290 nan 0.000 0.532 166 Q N 1.101 120.981 119.800 0.134 0.000 2.256 166 Q HA 0.461 4.801 4.340 -0.000 0.000 0.254 166 Q C -2.501 173.671 176.000 0.287 0.000 0.916 166 Q CA -1.983 53.914 55.803 0.157 0.000 0.932 166 Q CB 1.582 30.342 28.738 0.037 0.000 1.207 166 Q HN 0.198 nan 8.270 nan 0.000 0.426 167 P HA 0.024 nan 4.420 nan 0.000 0.269 167 P C -0.959 176.384 177.300 0.072 0.000 1.215 167 P CA 0.239 63.479 63.100 0.234 0.000 0.780 167 P CB 0.576 32.499 31.700 0.371 0.000 0.898 168 L N 1.317 122.567 121.223 0.045 0.000 2.362 168 L HA 0.414 4.754 4.340 -0.000 0.000 0.271 168 L C 0.280 177.240 176.870 0.151 0.000 1.002 168 L CA -1.096 53.777 54.840 0.054 0.000 0.818 168 L CB 1.907 43.986 42.059 0.034 0.000 1.298 168 L HN 0.439 nan 8.230 nan 0.000 0.420 169 C N 4.408 123.753 119.300 0.076 0.000 2.634 169 C HA 0.112 4.571 4.460 -0.000 0.000 0.418 169 C C 1.388 176.495 174.990 0.195 0.000 1.373 169 C CA -0.255 58.824 59.018 0.101 0.000 1.756 169 C CB -0.109 27.675 27.740 0.074 0.000 2.589 169 C HN 0.774 nan 8.230 nan 0.000 0.602 170 M N 5.169 124.937 119.600 0.279 0.000 2.356 170 M HA 0.089 4.569 4.480 -0.000 0.000 0.262 170 M C 1.506 178.082 176.300 0.460 0.000 1.097 170 M CA 0.273 55.827 55.300 0.424 0.000 0.991 170 M CB -1.621 31.224 32.600 0.409 0.000 1.450 170 M HN 0.883 nan 8.290 nan 0.000 0.495 171 N N 1.424 120.293 118.700 0.282 0.000 2.149 171 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 171 N C 1.573 177.223 175.510 0.233 0.000 1.019 171 N CA 1.655 54.856 53.050 0.252 0.000 0.857 171 N CB 0.124 38.668 38.487 0.096 0.000 0.997 171 N HN 0.412 nan 8.380 nan 0.000 0.426 172 Q N -1.279 118.578 119.800 0.095 0.000 2.152 172 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 172 Q C 1.352 177.303 176.000 -0.082 0.000 0.985 172 Q CA 1.599 57.374 55.803 -0.046 0.000 0.863 172 Q CB -0.228 28.394 28.738 -0.193 0.000 0.904 172 Q HN 0.598 nan 8.270 nan 0.000 0.422 173 Y N -1.642 118.677 120.300 0.031 0.000 2.403 173 Y HA -0.187 4.363 4.550 -0.000 0.000 0.291 173 Y C 0.905 176.637 175.900 -0.280 0.000 1.143 173 Y CA 0.853 58.876 58.100 -0.128 0.000 1.257 173 Y CB 0.022 38.335 38.460 -0.245 0.000 0.984 173 Y HN 0.183 nan 8.280 nan 0.000 0.550 174 Y N -0.529 119.871 120.300 0.168 0.000 2.537 174 Y HA 0.077 4.627 4.550 -0.000 0.000 0.303 174 Y C 1.240 177.188 175.900 0.079 0.000 1.176 174 Y CA -0.199 57.968 58.100 0.112 0.000 1.273 174 Y CB 0.116 38.628 38.460 0.087 0.000 1.110 174 Y HN 0.115 nan 8.280 nan 0.000 0.518 175 Q N -0.607 119.271 119.800 0.131 0.000 2.211 175 Q HA 0.205 4.544 4.340 -0.000 0.000 0.242 175 Q C 1.885 177.929 176.000 0.074 0.000 0.825 175 Q CA 0.369 56.229 55.803 0.095 0.000 0.951 175 Q CB 0.526 29.303 28.738 0.064 0.000 1.130 175 Q HN 0.705 nan 8.270 nan 0.000 0.496 176 I N -2.847 117.758 120.570 0.058 0.000 2.703 176 I HA 0.117 4.287 4.170 -0.000 0.000 0.259 176 I C 0.647 176.835 176.117 0.119 0.000 1.151 176 I CA 0.285 61.618 61.300 0.056 0.000 1.470 176 I CB 0.059 38.054 38.000 -0.008 0.000 1.112 176 I HN -0.137 nan 8.210 nan 0.000 0.437 177 L N 1.815 123.124 121.223 0.145 0.000 2.375 177 L HA 0.314 4.653 4.340 -0.000 0.000 0.271 177 L C 0.729 177.719 176.870 0.200 0.000 1.107 177 L CA -0.535 54.425 54.840 0.201 0.000 0.806 177 L CB 1.271 43.451 42.059 0.202 0.000 1.146 177 L HN 0.228 nan 8.230 nan 0.000 0.447 178 S N 0.493 116.322 115.700 0.214 0.000 3.614 178 S HA -0.163 4.307 4.470 -0.000 0.000 0.360 178 S C -0.005 174.780 174.600 0.308 0.000 1.023 178 S CA 0.873 59.201 58.200 0.213 0.000 1.114 178 S CB -1.480 61.842 63.200 0.203 0.000 0.907 178 S HN 0.878 nan 8.310 nan 0.000 0.470 179 S N -1.499 114.357 115.700 0.260 0.000 2.661 179 S HA 0.894 5.363 4.470 -0.000 0.000 0.285 179 S C -0.486 174.263 174.600 0.249 0.000 1.138 179 S CA -0.428 57.922 58.200 0.249 0.000 0.855 179 S CB 2.620 65.914 63.200 0.157 0.000 1.136 179 S HN 0.934 nan 8.310 nan 0.000 0.484 180 C N 0.717 120.158 119.300 0.236 0.000 3.241 180 C HA 0.654 5.114 4.460 -0.000 0.000 0.348 180 C C -0.682 174.429 174.990 0.201 0.000 1.180 180 C CA -0.485 58.684 59.018 0.251 0.000 1.273 180 C CB 1.444 29.374 27.740 0.316 0.000 1.620 180 C HN 1.207 nan 8.230 nan 0.000 0.510 181 R N 2.802 123.419 120.500 0.196 0.000 2.441 181 R HA 0.701 5.040 4.340 -0.000 0.000 0.284 181 R C -1.176 175.198 176.300 0.123 0.000 1.070 181 R CA -0.094 56.087 56.100 0.135 0.000 1.047 181 R CB 0.820 31.195 30.300 0.125 0.000 1.016 181 R HN 0.617 nan 8.270 nan 0.000 0.477 182 V N 6.904 126.835 119.914 0.028 0.000 2.448 182 V HA 0.361 4.480 4.120 -0.000 0.000 0.295 182 V C -2.200 173.756 176.094 -0.230 0.000 1.025 182 V CA -2.315 59.920 62.300 -0.108 0.000 0.859 182 V CB 1.711 33.508 31.823 -0.043 0.000 0.988 182 V HN 0.856 nan 8.190 nan 0.000 0.431 183 P HA 0.358 nan 4.420 nan 0.000 0.269 183 P C -0.015 177.099 177.300 -0.311 0.000 1.209 183 P CA 0.276 63.087 63.100 -0.482 0.000 0.776 183 P CB 0.706 31.815 31.700 -0.986 0.000 0.876 184 G N 2.188 110.885 108.800 -0.171 0.000 2.667 184 G HA2 0.437 4.396 3.960 -0.000 0.000 0.298 184 G HA3 0.437 4.396 3.960 -0.000 0.000 0.298 184 G C -2.295 172.568 174.900 -0.062 0.000 1.377 184 G CA -1.289 43.758 45.100 -0.088 0.000 0.964 184 G HN 0.181 nan 8.290 nan 0.000 0.493 185 P HA -0.063 nan 4.420 nan 0.000 0.223 185 P C 0.954 178.250 177.300 -0.007 0.000 1.151 185 P CA 1.010 64.100 63.100 -0.018 0.000 0.787 185 P CB 0.666 32.360 31.700 -0.009 0.000 0.788 186 K N -0.450 119.946 120.400 -0.007 0.000 2.325 186 K HA 0.063 4.382 4.320 -0.000 0.000 0.203 186 K C 0.906 177.505 176.600 -0.003 0.000 1.128 186 K CA 0.277 56.564 56.287 -0.001 0.000 0.931 186 K CB 0.568 33.070 32.500 0.003 0.000 1.125 186 K HN 0.146 nan 8.250 nan 0.000 0.487 187 Q N 0.380 120.176 119.800 -0.006 0.000 2.435 187 Q HA 0.306 4.646 4.340 -0.000 0.000 0.282 187 Q C -1.643 174.349 176.000 -0.012 0.000 1.020 187 Q CA -1.103 54.698 55.803 -0.004 0.000 0.820 187 Q CB 1.735 30.477 28.738 0.008 0.000 1.436 187 Q HN -0.140 nan 8.270 nan 0.000 0.395 188 D N 1.063 121.458 120.400 -0.008 0.000 2.433 188 D HA 0.551 5.191 4.640 -0.000 0.000 0.255 188 D C -0.213 176.087 176.300 -0.000 0.000 1.226 188 D CA 0.068 54.058 54.000 -0.018 0.000 1.015 188 D CB 1.263 42.060 40.800 -0.005 0.000 1.091 188 D HN 0.680 nan 8.370 nan 0.000 0.527 189 S N -1.683 114.015 115.700 -0.004 0.000 2.720 189 S HA 0.757 5.226 4.470 -0.000 0.000 0.287 189 S C -1.193 173.419 174.600 0.019 0.000 1.168 189 S CA -0.811 57.394 58.200 0.009 0.000 0.832 189 S CB 1.268 64.469 63.200 0.002 0.000 1.166 189 S HN 0.149 nan 8.310 nan 0.000 0.493 190 V N 1.284 121.209 119.914 0.019 0.000 2.709 190 V HA 0.699 4.819 4.120 -0.000 0.000 0.308 190 V C -0.459 175.629 176.094 -0.009 0.000 1.062 190 V CA -0.616 61.700 62.300 0.026 0.000 0.901 190 V CB 1.690 33.531 31.823 0.030 0.000 1.003 190 V HN 1.103 nan 8.190 nan 0.000 0.425 191 V N 1.545 121.453 119.914 -0.009 0.000 2.630 191 V HA 0.701 4.820 4.120 -0.000 0.000 0.305 191 V C -0.419 175.561 176.094 -0.190 0.000 1.046 191 V CA -0.627 61.574 62.300 -0.164 0.000 0.934 191 V CB 1.712 33.429 31.823 -0.176 0.000 1.003 191 V HN 0.971 nan 8.190 nan 0.000 0.451 192 N N 1.682 120.150 118.700 -0.386 0.000 2.500 192 N HA 0.515 5.255 4.740 -0.000 0.000 0.291 192 N C -0.926 174.391 175.510 -0.322 0.000 1.092 192 N CA -0.606 52.333 53.050 -0.185 0.000 0.890 192 N CB 1.498 39.952 38.487 -0.055 0.000 1.466 192 N HN 0.645 nan 8.380 nan 0.000 0.507 193 F N 2.695 122.686 119.950 0.067 0.000 2.653 193 F HA 0.217 4.744 4.527 -0.001 0.000 0.304 193 F C 1.636 177.471 175.800 0.057 0.000 1.092 193 F CA -0.456 57.579 58.000 0.058 0.000 1.279 193 F CB 0.243 39.276 39.000 0.055 0.000 1.044 193 F HN 0.457 nan 8.300 nan 0.000 0.564 194 L N 0.994 122.341 121.223 0.207 0.000 2.043 194 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 194 L C 1.328 178.275 176.870 0.129 0.000 1.075 194 L CA 2.106 57.044 54.840 0.164 0.000 0.752 194 L CB -0.360 41.799 42.059 0.167 0.000 0.891 194 L HN 0.014 nan 8.230 nan 0.000 0.432 195 K N -0.608 119.857 120.400 0.107 0.000 2.699 195 K HA 0.215 4.534 4.320 -0.000 0.000 0.210 195 K C 0.453 177.091 176.600 0.062 0.000 1.076 195 K CA 0.173 56.505 56.287 0.075 0.000 1.109 195 K CB 0.207 32.742 32.500 0.057 0.000 0.862 195 K HN 0.385 nan 8.250 nan 0.000 0.470 196 S N 0.042 115.796 115.700 0.089 0.000 2.617 196 S HA 0.169 4.639 4.470 -0.000 0.000 0.259 196 S C 1.232 175.869 174.600 0.062 0.000 1.301 196 S CA -0.651 57.601 58.200 0.088 0.000 0.984 196 S CB 1.051 64.345 63.200 0.156 0.000 0.954 196 S HN -0.004 nan 8.310 nan 0.000 0.572 197 K N 0.856 121.288 120.400 0.053 0.000 2.103 197 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 197 K C 0.628 177.246 176.600 0.030 0.000 1.048 197 K CA 1.346 57.654 56.287 0.034 0.000 0.930 197 K CB -0.453 32.065 32.500 0.031 0.000 0.716 197 K HN 0.831 nan 8.250 nan 0.000 0.444 198 R N 0.711 121.236 120.500 0.042 0.000 2.547 198 R HA 0.352 4.692 4.340 -0.000 0.000 0.280 198 R C -2.839 173.486 176.300 0.042 0.000 1.630 198 R CA -1.612 54.505 56.100 0.028 0.000 1.470 198 R CB 0.385 30.699 30.300 0.023 0.000 1.178 198 R HN -0.193 nan 8.270 nan 0.000 0.591 199 P HA 0.041 nan 4.420 nan 0.000 0.266 199 P C -2.302 175.016 177.300 0.029 0.000 1.193 199 P CA -0.736 62.394 63.100 0.050 0.000 0.770 199 P CB 0.140 31.849 31.700 0.017 0.000 0.836 200 P HA 0.050 nan 4.420 nan 0.000 0.268 200 P C 0.414 177.743 177.300 0.048 0.000 1.205 200 P CA 0.248 63.375 63.100 0.044 0.000 0.771 200 P CB 0.234 31.903 31.700 -0.053 0.000 0.858 201 T N -2.005 112.630 114.554 0.135 0.000 3.182 201 T HA 0.226 4.576 4.350 -0.000 0.000 0.277 201 T C 0.147 174.999 174.700 0.253 0.000 1.013 201 T CA -0.347 61.874 62.100 0.200 0.000 0.900 201 T CB -0.937 68.022 68.868 0.152 0.000 1.098 201 T HN 0.617 nan 8.240 nan 0.000 0.543 202 H N -0.004 119.076 119.070 0.017 0.000 2.797 202 H HA 0.809 5.365 4.556 -0.000 0.000 0.372 202 H C -0.449 174.792 175.328 -0.146 0.000 1.168 202 H CA -1.555 54.456 56.048 -0.061 0.000 1.163 202 H CB 1.459 31.181 29.762 -0.066 0.000 1.778 202 H HN 0.305 nan 8.280 nan 0.000 0.551 203 I N -0.913 119.487 120.570 -0.283 0.000 3.133 203 I HA 0.706 4.875 4.170 -0.000 0.000 0.311 203 I C -0.718 175.318 176.117 -0.134 0.000 1.072 203 I CA -1.138 59.886 61.300 -0.460 0.000 1.015 203 I CB 2.556 40.103 38.000 -0.755 0.000 1.233 203 I HN 0.807 nan 8.210 nan 0.000 0.473 204 T N 0.379 114.888 114.554 -0.075 0.000 2.885 204 T HA 0.755 5.105 4.350 -0.000 0.000 0.285 204 T C -0.528 174.252 174.700 0.134 0.000 1.019 204 T CA -0.711 61.460 62.100 0.119 0.000 1.010 204 T CB 1.855 70.840 68.868 0.195 0.000 1.022 204 T HN 0.483 nan 8.240 nan 0.000 0.466 205 V N 2.176 122.209 119.914 0.198 0.000 2.588 205 V HA 0.606 4.726 4.120 -0.000 0.000 0.304 205 V C -0.494 175.715 176.094 0.191 0.000 1.042 205 V CA -0.851 61.548 62.300 0.164 0.000 0.877 205 V CB 1.917 33.798 31.823 0.097 0.000 0.996 205 V HN 0.927 nan 8.190 nan 0.000 0.425 206 V N 3.432 123.389 119.914 0.072 0.000 2.448 206 V HA 0.604 4.724 4.120 -0.000 0.000 0.295 206 V C -0.818 175.331 176.094 0.092 0.000 1.025 206 V CA -0.605 61.628 62.300 -0.112 0.000 0.859 206 V CB 1.485 33.054 31.823 -0.424 0.000 0.988 206 V HN 1.004 nan 8.190 nan 0.000 0.431 207 H N 4.094 123.188 119.070 0.040 0.000 2.877 207 H HA 0.439 4.995 4.556 -0.000 0.000 0.347 207 H C 0.302 175.651 175.328 0.035 0.000 1.042 207 H CA -0.427 55.658 56.048 0.062 0.000 1.276 207 H CB 1.119 30.926 29.762 0.075 0.000 1.681 207 H HN 0.612 nan 8.280 nan 0.000 0.521 208 N N 4.668 123.019 118.700 -0.581 0.000 2.721 208 N HA -0.267 4.473 4.740 -0.000 0.000 0.249 208 N C -0.424 174.878 175.510 -0.348 0.000 1.072 208 N CA 1.716 54.401 53.050 -0.608 0.000 0.710 208 N CB -1.391 36.758 38.487 -0.562 0.000 0.993 208 N HN 0.966 nan 8.380 nan 0.000 0.547 209 Y N -4.127 116.115 120.300 -0.096 0.000 4.894 209 Y HA -0.373 4.177 4.550 -0.001 0.000 0.270 209 Y C 0.572 176.448 175.900 -0.041 0.000 0.930 209 Y CA 0.595 58.662 58.100 -0.054 0.000 1.814 209 Y CB -1.316 37.158 38.460 0.024 0.000 1.235 209 Y HN 0.311 nan 8.280 nan 0.000 0.480 210 Q N 0.905 120.767 119.800 0.103 0.000 2.257 210 Q HA 0.478 4.818 4.340 -0.000 0.000 0.255 210 Q C -0.795 175.207 176.000 0.003 0.000 0.920 210 Q CA -0.560 55.311 55.803 0.114 0.000 0.927 210 Q CB 0.970 29.789 28.738 0.135 0.000 1.229 210 Q HN 0.086 nan 8.270 nan 0.000 0.433 211 F N 1.882 121.841 119.950 0.015 0.000 2.399 211 F HA 0.481 5.007 4.527 -0.000 0.000 0.334 211 F C -0.304 175.317 175.800 -0.299 0.000 1.097 211 F CA -0.383 57.626 58.000 0.016 0.000 1.076 211 F CB 0.741 39.757 39.000 0.027 0.000 1.162 211 F HN 0.382 nan 8.300 nan 0.000 0.495 212 F N 0.421 120.478 119.950 0.178 0.000 2.565 212 F HA 0.313 4.839 4.527 -0.001 0.000 0.313 212 F C -0.221 175.618 175.800 0.064 0.000 1.091 212 F CA -1.167 56.880 58.000 0.078 0.000 0.915 212 F CB 1.872 40.895 39.000 0.039 0.000 1.208 212 F HN 0.375 nan 8.300 nan 0.000 0.453 213 E N 3.041 123.342 120.200 0.169 0.000 2.115 213 E HA 0.468 4.818 4.350 -0.000 0.000 0.282 213 E C -1.747 174.911 176.600 0.096 0.000 0.987 213 E CA -0.721 55.736 56.400 0.095 0.000 0.797 213 E CB 1.119 30.755 29.700 -0.106 0.000 1.086 213 E HN 0.558 nan 8.360 nan 0.000 0.397 214 L N 5.692 126.981 121.223 0.110 0.000 2.345 214 L HA 0.364 4.703 4.340 -0.000 0.000 0.274 214 L C -1.108 175.780 176.870 0.029 0.000 0.999 214 L CA -0.566 54.296 54.840 0.038 0.000 0.849 214 L CB 1.371 43.423 42.059 -0.010 0.000 1.220 214 L HN 0.480 nan 8.230 nan 0.000 0.422 215 D N 3.749 124.161 120.400 0.020 0.000 2.425 215 D HA 0.123 4.762 4.640 -0.000 0.000 0.247 215 D C 0.873 177.134 176.300 -0.066 0.000 1.147 215 D CA 0.357 54.374 54.000 0.029 0.000 0.879 215 D CB 1.922 42.734 40.800 0.021 0.000 1.179 215 D HN 0.484 nan 8.370 nan 0.000 0.456 216 V N 0.513 120.365 119.914 -0.104 0.000 3.176 216 V HA 0.332 4.452 4.120 -0.000 0.000 0.332 216 V C -0.680 175.075 176.094 -0.565 0.000 1.414 216 V CA -0.300 61.806 62.300 -0.324 0.000 1.133 216 V CB -0.918 30.671 31.823 -0.391 0.000 1.088 216 V HN 0.292 nan 8.190 nan 0.000 0.473 217 Y N -0.624 119.582 120.300 -0.158 0.000 2.524 217 Y HA 0.685 5.235 4.550 -0.000 0.000 0.347 217 Y C 0.547 176.341 175.900 -0.177 0.000 1.005 217 Y CA -0.971 57.039 58.100 -0.149 0.000 1.025 217 Y CB 1.486 39.919 38.460 -0.044 0.000 1.275 217 Y HN 0.129 nan 8.280 nan 0.000 0.460 218 H N 0.047 119.216 119.070 0.166 0.000 2.544 218 H HA 0.173 4.729 4.556 -0.000 0.000 0.365 218 H C 0.720 176.103 175.328 0.092 0.000 1.268 218 H CA 0.265 56.370 56.048 0.096 0.000 1.400 218 H CB 1.401 31.203 29.762 0.067 0.000 1.538 218 H HN 0.725 nan 8.280 nan 0.000 0.597 219 S N 0.330 116.150 115.700 0.200 0.000 2.387 219 S HA -0.212 4.258 4.470 -0.000 0.000 0.230 219 S C 1.191 175.846 174.600 0.093 0.000 1.035 219 S CA 1.977 60.243 58.200 0.111 0.000 1.014 219 S CB -0.366 62.881 63.200 0.078 0.000 0.836 219 S HN 0.700 nan 8.310 nan 0.000 0.466 220 D N -0.146 120.319 120.400 0.108 0.000 2.363 220 D HA 0.263 4.903 4.640 -0.000 0.000 0.226 220 D C 1.225 177.577 176.300 0.086 0.000 1.020 220 D CA 0.726 54.773 54.000 0.078 0.000 0.892 220 D CB -0.599 40.238 40.800 0.062 0.000 0.900 220 D HN 0.398 nan 8.370 nan 0.000 0.531 221 G N -0.068 108.803 108.800 0.117 0.000 2.199 221 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 221 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 221 G C 0.537 175.564 174.900 0.212 0.000 0.982 221 G CA 0.394 45.550 45.100 0.094 0.000 0.632 221 G HN 0.760 nan 8.290 nan 0.000 0.529 222 T N 0.775 115.478 114.554 0.249 0.000 2.913 222 T HA 0.593 4.943 4.350 -0.000 0.000 0.297 222 T C -1.856 173.041 174.700 0.329 0.000 1.029 222 T CA -0.973 61.294 62.100 0.278 0.000 1.104 222 T CB 2.404 71.410 68.868 0.230 0.000 0.964 222 T HN 0.264 nan 8.240 nan 0.000 0.532 223 P HA 0.299 nan 4.420 nan 0.000 0.276 223 P C -0.442 176.796 177.300 -0.103 0.000 1.244 223 P CA -0.772 62.254 63.100 -0.124 0.000 0.801 223 P CB 0.659 32.243 31.700 -0.193 0.000 1.006 224 L N 1.699 122.738 121.223 -0.306 0.000 2.464 224 L HA 0.234 4.574 4.340 -0.000 0.000 0.264 224 L C 1.524 178.363 176.870 -0.051 0.000 1.199 224 L CA 0.742 55.463 54.840 -0.198 0.000 0.818 224 L CB -0.134 41.760 42.059 -0.275 0.000 1.102 224 L HN 0.508 nan 8.230 nan 0.000 0.473 225 T N -2.231 112.348 114.554 0.042 0.000 2.881 225 T HA 0.273 4.623 4.350 -0.000 0.000 0.278 225 T C 1.268 175.988 174.700 0.034 0.000 0.982 225 T CA -0.116 62.014 62.100 0.051 0.000 0.989 225 T CB 0.963 69.875 68.868 0.074 0.000 1.058 225 T HN 0.639 nan 8.240 nan 0.000 0.529 226 S N 0.479 116.206 115.700 0.045 0.000 2.383 226 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 226 S C 1.315 175.953 174.600 0.063 0.000 1.030 226 S CA 1.444 59.667 58.200 0.040 0.000 1.002 226 S CB -0.835 62.389 63.200 0.038 0.000 0.829 226 S HN 0.760 nan 8.310 nan 0.000 0.467 227 D N 1.686 122.119 120.400 0.055 0.000 2.117 227 D HA -0.049 4.591 4.640 -0.000 0.000 0.197 227 D C 2.339 178.713 176.300 0.124 0.000 0.987 227 D CA 1.283 55.329 54.000 0.077 0.000 0.829 227 D CB -0.406 40.419 40.800 0.041 0.000 0.961 227 D HN 0.605 nan 8.370 nan 0.000 0.460 228 Q N -0.228 119.623 119.800 0.085 0.000 2.083 228 Q HA -0.002 4.337 4.340 -0.000 0.000 0.198 228 Q C 2.374 178.395 176.000 0.034 0.000 0.969 228 Q CA 0.605 56.451 55.803 0.070 0.000 0.838 228 Q CB 0.077 28.863 28.738 0.081 0.000 0.900 228 Q HN 0.330 nan 8.270 nan 0.000 0.436 229 I N 0.087 120.668 120.570 0.019 0.000 2.286 229 I HA -0.265 3.904 4.170 -0.000 0.000 0.248 229 I C 2.115 178.229 176.117 -0.005 0.000 1.115 229 I CA 1.013 62.300 61.300 -0.022 0.000 1.392 229 I CB -0.229 37.750 38.000 -0.035 0.000 1.065 229 I HN 0.177 nan 8.210 nan 0.000 0.418 230 F N 1.275 121.180 119.950 -0.074 0.000 2.134 230 F HA -0.196 4.330 4.527 -0.001 0.000 0.299 230 F C 2.336 178.089 175.800 -0.078 0.000 1.097 230 F CA 1.527 59.475 58.000 -0.085 0.000 1.264 230 F CB -0.409 38.544 39.000 -0.077 0.000 1.001 230 F HN -0.235 nan 8.300 nan 0.000 0.479 231 V N 0.681 120.551 119.914 -0.073 0.000 2.392 231 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 231 V C 2.462 178.425 176.094 -0.220 0.000 1.059 231 V CA 2.049 64.256 62.300 -0.155 0.000 1.051 231 V CB -0.714 31.110 31.823 0.001 0.000 0.658 231 V HN 0.394 nan 8.190 nan 0.000 0.455 232 Q N -0.519 119.183 119.800 -0.164 0.000 2.079 232 Q HA -0.056 4.284 4.340 -0.000 0.000 0.200 232 Q C 2.288 178.151 176.000 -0.227 0.000 0.974 232 Q CA 1.374 57.082 55.803 -0.158 0.000 0.840 232 Q CB -0.386 28.285 28.738 -0.112 0.000 0.898 232 Q HN 0.543 nan 8.270 nan 0.000 0.430 233 L N 0.595 121.653 121.223 -0.275 0.000 2.131 233 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 233 L C 2.431 179.089 176.870 -0.352 0.000 1.092 233 L CA 1.084 55.743 54.840 -0.301 0.000 0.759 233 L CB -0.332 41.562 42.059 -0.274 0.000 0.903 233 L HN 0.290 nan 8.230 nan 0.000 0.435 234 E N 0.533 120.443 120.200 -0.482 0.000 2.106 234 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 234 E C 2.111 178.633 176.600 -0.130 0.000 0.984 234 E CA 1.052 57.218 56.400 -0.389 0.000 0.806 234 E CB 0.210 29.560 29.700 -0.583 0.000 0.750 234 E HN 0.384 nan 8.360 nan 0.000 0.458 235 K N 0.105 120.396 120.400 -0.181 0.000 2.057 235 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 235 K C 2.146 178.613 176.600 -0.222 0.000 1.050 235 K CA 1.117 57.321 56.287 -0.138 0.000 0.935 235 K CB -0.038 32.389 32.500 -0.122 0.000 0.715 235 K HN 0.194 nan 8.250 nan 0.000 0.439 236 I N 0.828 121.181 120.570 -0.361 0.000 2.226 236 I HA -0.283 3.886 4.170 -0.000 0.000 0.245 236 I C 2.443 178.238 176.117 -0.536 0.000 1.100 236 I CA 1.079 61.929 61.300 -0.750 0.000 1.374 236 I CB -0.354 37.176 38.000 -0.783 0.000 1.057 236 I HN 0.472 nan 8.210 nan 0.000 0.413 237 W N 2.621 123.618 121.300 -0.504 0.000 2.333 237 W HA -0.251 4.409 4.660 -0.001 0.000 0.316 237 W C 2.018 178.403 176.519 -0.225 0.000 1.215 237 W CA 1.507 58.573 57.345 -0.464 0.000 1.278 237 W CB -0.853 28.331 29.460 -0.460 0.000 1.154 237 W HN 0.169 nan 8.180 nan 0.000 0.486 238 N N 0.599 119.066 118.700 -0.389 0.000 2.289 238 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 238 N C 1.658 177.009 175.510 -0.265 0.000 1.016 238 N CA 1.732 54.529 53.050 -0.422 0.000 0.872 238 N CB -0.356 38.062 38.487 -0.115 0.000 0.973 238 N HN 0.094 nan 8.380 nan 0.000 0.433 239 S N -0.417 115.180 115.700 -0.172 0.000 2.593 239 S HA 0.030 4.500 4.470 -0.000 0.000 0.217 239 S C 0.942 175.621 174.600 0.132 0.000 0.966 239 S CA 0.031 58.236 58.200 0.008 0.000 0.914 239 S CB 0.244 63.524 63.200 0.132 0.000 0.776 239 S HN 0.376 nan 8.310 nan 0.000 0.523 240 S N 0.168 115.887 115.700 0.031 0.000 2.825 240 S HA 0.383 4.853 4.470 -0.000 0.000 0.242 240 S C 0.617 175.208 174.600 -0.016 0.000 0.980 240 S CA -0.462 57.822 58.200 0.139 0.000 1.107 240 S CB -0.558 62.884 63.200 0.403 0.000 1.172 240 S HN 0.251 nan 8.310 nan 0.000 0.483 241 L N 0.523 121.622 121.223 -0.207 0.000 2.313 241 L HA 0.093 4.433 4.340 -0.000 0.000 0.214 241 L C 1.261 178.019 176.870 -0.187 0.000 1.119 241 L CA 0.750 55.395 54.840 -0.325 0.000 0.809 241 L CB -0.251 41.551 42.059 -0.429 0.000 0.933 241 L HN 0.481 nan 8.230 nan 0.000 0.449 242 Q N -0.340 119.387 119.800 -0.122 0.000 2.352 242 Q HA 0.020 4.360 4.340 -0.000 0.000 0.260 242 Q C 0.520 176.455 176.000 -0.109 0.000 0.976 242 Q CA 0.021 55.771 55.803 -0.089 0.000 0.881 242 Q CB 1.230 29.939 28.738 -0.048 0.000 1.235 242 Q HN -0.053 nan 8.270 nan 0.000 0.419 243 S N 1.554 117.193 115.700 -0.102 0.000 2.624 243 S HA 0.069 4.539 4.470 -0.000 0.000 0.246 243 S C -0.036 174.528 174.600 -0.060 0.000 1.072 243 S CA -0.450 57.666 58.200 -0.141 0.000 1.045 243 S CB -0.087 63.023 63.200 -0.151 0.000 0.851 243 S HN 0.676 nan 8.310 nan 0.000 0.480 244 N N 0.898 119.588 118.700 -0.017 0.000 2.338 244 N HA 0.154 4.894 4.740 -0.000 0.000 0.251 244 N C -0.760 174.786 175.510 0.061 0.000 1.199 244 N CA -0.483 52.581 53.050 0.024 0.000 0.879 244 N CB 0.233 38.728 38.487 0.013 0.000 1.159 244 N HN 0.071 nan 8.380 nan 0.000 0.514 245 K N 0.962 121.419 120.400 0.095 0.000 2.164 245 K HA 0.268 4.588 4.320 -0.000 0.000 0.258 245 K C 0.243 176.970 176.600 0.211 0.000 0.951 245 K CA -0.493 55.878 56.287 0.141 0.000 0.844 245 K CB 1.838 34.426 32.500 0.147 0.000 1.099 245 K HN 0.121 nan 8.250 nan 0.000 0.435 246 E N 3.288 123.582 120.200 0.157 0.000 2.413 246 E HA 0.034 4.384 4.350 -0.000 0.000 0.263 246 E C -1.937 174.724 176.600 0.101 0.000 1.015 246 E CA -1.505 54.963 56.400 0.113 0.000 0.916 246 E CB 0.259 29.999 29.700 0.067 0.000 0.947 246 E HN 0.231 nan 8.360 nan 0.000 0.440 247 P HA 0.064 nan 4.420 nan 0.000 0.231 247 P C 0.878 178.102 177.300 -0.127 0.000 1.811 247 P CA -0.021 62.926 63.100 -0.256 0.000 1.051 247 P CB 0.127 31.409 31.700 -0.698 0.000 1.951 248 V N 2.569 122.463 119.914 -0.033 0.000 2.324 248 V HA -0.232 3.887 4.120 -0.000 0.000 0.250 248 V C 2.800 178.832 176.094 -0.104 0.000 1.060 248 V CA 2.738 64.952 62.300 -0.144 0.000 1.042 248 V CB -1.538 30.002 31.823 -0.473 0.000 0.650 248 V HN 0.432 nan 8.190 nan 0.000 0.450 249 G N -0.825 108.059 108.800 0.141 0.000 2.479 249 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 249 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 249 G C 1.580 176.384 174.900 -0.160 0.000 1.115 249 G CA 0.819 46.011 45.100 0.154 0.000 0.757 249 G HN 0.537 nan 8.290 nan 0.000 0.560 250 I N 0.317 120.791 120.570 -0.160 0.000 2.916 250 I HA -0.028 4.142 4.170 -0.000 0.000 0.267 250 I C 2.318 178.251 176.117 -0.306 0.000 1.263 250 I CA 0.305 61.504 61.300 -0.169 0.000 1.471 250 I CB 0.082 37.982 38.000 -0.167 0.000 1.089 250 I HN 0.157 nan 8.210 nan 0.000 0.468 251 L N 0.211 121.161 121.223 -0.456 0.000 2.131 251 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 251 L C 2.503 178.684 176.870 -1.148 0.000 1.092 251 L CA 1.800 56.259 54.840 -0.635 0.000 0.759 251 L CB -1.025 40.671 42.059 -0.604 0.000 0.903 251 L HN 0.416 nan 8.230 nan 0.000 0.435 252 T N -4.021 109.730 114.554 -1.338 0.000 3.098 252 T HA -0.083 4.266 4.350 -0.000 0.000 0.266 252 T C 1.680 175.983 174.700 -0.661 0.000 1.145 252 T CA 0.902 62.161 62.100 -1.401 0.000 1.092 252 T CB -0.286 67.918 68.868 -1.106 0.000 0.908 252 T HN 0.418 nan 8.240 nan 0.000 0.526 253 S N -0.233 115.191 115.700 -0.461 0.000 2.556 253 S HA 0.206 4.676 4.470 -0.000 0.000 0.216 253 S C 0.705 175.126 174.600 -0.299 0.000 0.970 253 S CA -0.729 57.224 58.200 -0.411 0.000 0.912 253 S CB -0.345 62.627 63.200 -0.379 0.000 0.790 253 S HN 0.392 nan 8.310 nan 0.000 0.504 254 N N 1.784 120.328 118.700 -0.260 0.000 2.413 254 N HA 0.194 4.934 4.740 -0.000 0.000 0.266 254 N C -0.440 175.060 175.510 -0.016 0.000 1.238 254 N CA -0.398 52.594 53.050 -0.096 0.000 0.972 254 N CB 0.467 38.932 38.487 -0.037 0.000 1.210 254 N HN 0.436 nan 8.380 nan 0.000 0.547 255 H N 0.936 119.981 119.070 -0.042 0.000 3.038 255 H HA -0.003 4.553 4.556 -0.001 0.000 0.338 255 H C 1.189 176.523 175.328 0.011 0.000 1.041 255 H CA 0.335 56.355 56.048 -0.046 0.000 1.394 255 H CB 0.723 30.453 29.762 -0.055 0.000 1.357 255 H HN 0.331 nan 8.280 nan 0.000 0.600 256 R N 3.274 123.647 120.500 -0.211 0.000 2.127 256 R HA -0.136 4.203 4.340 -0.000 0.000 0.238 256 R C 1.378 177.745 176.300 0.111 0.000 1.134 256 R CA 0.988 57.081 56.100 -0.011 0.000 0.975 256 R CB -0.516 29.707 30.300 -0.128 0.000 0.865 256 R HN 0.696 nan 8.270 nan 0.000 0.447 257 N N 0.035 118.899 118.700 0.273 0.000 2.188 257 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 257 N C 1.532 177.127 175.510 0.140 0.000 1.018 257 N CA 1.581 54.745 53.050 0.190 0.000 0.858 257 N CB -0.293 38.305 38.487 0.185 0.000 0.989 257 N HN 0.204 nan 8.380 nan 0.000 0.426 258 T N 0.225 114.892 114.554 0.189 0.000 2.812 258 T HA -0.113 4.236 4.350 -0.000 0.000 0.264 258 T C 1.520 176.354 174.700 0.224 0.000 1.042 258 T CA 0.578 62.767 62.100 0.148 0.000 1.140 258 T CB -0.289 68.657 68.868 0.130 0.000 0.870 258 T HN 0.475 nan 8.240 nan 0.000 0.445 259 W N 1.873 123.180 121.300 0.011 0.000 2.388 259 W HA -0.080 4.580 4.660 -0.000 0.000 0.294 259 W C 2.442 178.985 176.519 0.041 0.000 1.212 259 W CA 0.605 57.947 57.345 -0.005 0.000 1.271 259 W CB -0.149 29.273 29.460 -0.064 0.000 1.126 259 W HN 0.290 nan 8.180 nan 0.000 0.535 260 A N 1.043 123.814 122.820 -0.082 0.000 1.908 260 A HA -0.288 4.031 4.320 -0.000 0.000 0.218 260 A C 1.990 179.510 177.584 -0.107 0.000 1.181 260 A CA 2.161 54.072 52.037 -0.210 0.000 0.627 260 A CB -0.963 17.980 19.000 -0.096 0.000 0.818 260 A HN 0.401 nan 8.150 nan 0.000 0.445 261 K N -0.561 119.829 120.400 -0.017 0.000 2.062 261 K HA 0.020 4.340 4.320 -0.000 0.000 0.205 261 K C 2.161 178.769 176.600 0.014 0.000 1.051 261 K CA 1.060 57.349 56.287 0.005 0.000 0.941 261 K CB -0.312 32.203 32.500 0.025 0.000 0.719 261 K HN 0.338 nan 8.250 nan 0.000 0.440 262 A N 0.387 123.255 122.820 0.079 0.000 1.933 262 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 262 A C 2.030 179.649 177.584 0.059 0.000 1.175 262 A CA 1.318 53.446 52.037 0.150 0.000 0.628 262 A CB -0.808 18.409 19.000 0.361 0.000 0.814 262 A HN 0.599 nan 8.150 nan 0.000 0.444 263 Y N 1.278 121.313 120.300 -0.442 0.000 2.163 263 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 263 Y C 2.335 178.075 175.900 -0.268 0.000 1.136 263 Y CA 2.011 59.687 58.100 -0.708 0.000 1.147 263 Y CB -0.375 37.279 38.460 -1.343 0.000 0.987 263 Y HN 0.450 nan 8.280 nan 0.000 0.509 264 N N 0.509 119.114 118.700 -0.157 0.000 2.104 264 N HA -0.275 4.465 4.740 -0.000 0.000 0.190 264 N C 1.599 177.023 175.510 -0.144 0.000 1.024 264 N CA 1.793 54.753 53.050 -0.151 0.000 0.853 264 N CB -0.489 37.976 38.487 -0.037 0.000 1.008 264 N HN 0.524 nan 8.380 nan 0.000 0.424 265 N N 0.466 119.116 118.700 -0.083 0.000 2.171 265 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 265 N C 1.900 177.385 175.510 -0.042 0.000 1.021 265 N CA 0.528 53.553 53.050 -0.043 0.000 0.854 265 N CB -0.385 38.101 38.487 -0.003 0.000 0.994 265 N HN 0.177 nan 8.380 nan 0.000 0.426 266 L N 1.306 122.505 121.223 -0.040 0.000 2.013 266 L HA -0.061 4.279 4.340 -0.000 0.000 0.212 266 L C 1.634 178.495 176.870 -0.015 0.000 1.073 266 L CA 1.582 56.428 54.840 0.011 0.000 0.753 266 L CB -0.675 41.432 42.059 0.081 0.000 0.890 266 L HN 0.494 nan 8.230 nan 0.000 0.432 267 I N -4.311 116.167 120.570 -0.155 0.000 3.680 267 I HA 0.001 4.170 4.170 -0.000 0.000 0.306 267 I C 1.743 177.803 176.117 -0.095 0.000 1.260 267 I CA 0.246 61.459 61.300 -0.146 0.000 1.201 267 I CB -0.559 37.253 38.000 -0.312 0.000 1.009 267 I HN 0.147 nan 8.210 nan 0.000 0.467 268 K N 1.334 121.696 120.400 -0.063 0.000 2.057 268 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 268 K C 0.566 177.152 176.600 -0.023 0.000 1.050 268 K CA 1.012 57.274 56.287 -0.041 0.000 0.935 268 K CB -0.198 32.286 32.500 -0.026 0.000 0.715 268 K HN 0.417 nan 8.250 nan 0.000 0.439 269 D N 0.979 121.375 120.400 -0.007 0.000 2.425 269 D HA -0.045 4.595 4.640 -0.000 0.000 0.247 269 D C 0.964 177.256 176.300 -0.015 0.000 1.147 269 D CA 0.073 54.073 54.000 -0.000 0.000 0.879 269 D CB 0.959 41.775 40.800 0.025 0.000 1.179 269 D HN 0.086 nan 8.370 nan 0.000 0.456 270 K N 2.033 122.419 120.400 -0.024 0.000 2.063 270 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 270 K C 1.555 178.121 176.600 -0.057 0.000 1.048 270 K CA 1.042 57.307 56.287 -0.037 0.000 0.928 270 K CB -0.414 32.065 32.500 -0.035 0.000 0.713 270 K HN 0.286 nan 8.250 nan 0.000 0.442 271 V N 2.533 122.410 119.914 -0.061 0.000 2.358 271 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 271 V C 1.831 177.836 176.094 -0.149 0.000 1.047 271 V CA 1.981 64.217 62.300 -0.106 0.000 1.035 271 V CB -0.746 31.018 31.823 -0.099 0.000 0.658 271 V HN 0.405 nan 8.190 nan 0.000 0.452 272 N N 0.268 118.928 118.700 -0.067 0.000 2.120 272 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 272 N C 1.928 177.432 175.510 -0.010 0.000 1.024 272 N CA 1.487 54.545 53.050 0.013 0.000 0.852 272 N CB -0.480 38.144 38.487 0.228 0.000 1.003 272 N HN 0.432 nan 8.380 nan 0.000 0.424 273 R N 1.103 121.584 120.500 -0.033 0.000 2.096 273 R HA -0.090 4.249 4.340 -0.000 0.000 0.235 273 R C 2.008 178.261 176.300 -0.077 0.000 1.127 273 R CA 1.361 57.432 56.100 -0.048 0.000 0.968 273 R CB -0.060 30.209 30.300 -0.051 0.000 0.861 273 R HN 0.362 nan 8.270 nan 0.000 0.440 274 E N -0.396 119.736 120.200 -0.113 0.000 2.072 274 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 274 E C 1.617 178.095 176.600 -0.204 0.000 0.985 274 E CA 1.557 57.872 56.400 -0.141 0.000 0.801 274 E CB 0.046 29.660 29.700 -0.144 0.000 0.750 274 E HN 0.275 nan 8.360 nan 0.000 0.452 275 S N 0.066 115.587 115.700 -0.298 0.000 2.355 275 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 275 S C 2.040 176.428 174.600 -0.354 0.000 1.031 275 S CA 1.101 59.036 58.200 -0.442 0.000 0.993 275 S CB -0.139 62.522 63.200 -0.899 0.000 0.859 275 S HN 0.158 nan 8.310 nan 0.000 0.453 276 V N 3.256 123.051 119.914 -0.197 0.000 2.343 276 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 276 V C 2.417 178.435 176.094 -0.127 0.000 1.051 276 V CA 1.671 63.888 62.300 -0.138 0.000 1.036 276 V CB -0.748 31.149 31.823 0.125 0.000 0.654 276 V HN 0.576 nan 8.190 nan 0.000 0.451 277 N N -0.200 118.450 118.700 -0.084 0.000 2.120 277 N HA -0.195 4.544 4.740 -0.000 0.000 0.188 277 N C 2.146 177.576 175.510 -0.132 0.000 1.024 277 N CA 1.833 54.844 53.050 -0.066 0.000 0.852 277 N CB -0.003 38.448 38.487 -0.060 0.000 1.003 277 N HN 0.447 nan 8.380 nan 0.000 0.424 278 S N 0.523 116.126 115.700 -0.161 0.000 2.368 278 S HA -0.015 4.455 4.470 -0.000 0.000 0.225 278 S C 2.162 176.744 174.600 -0.030 0.000 1.030 278 S CA 0.674 58.806 58.200 -0.112 0.000 0.999 278 S CB -0.205 62.883 63.200 -0.187 0.000 0.844 278 S HN 0.339 nan 8.310 nan 0.000 0.459 279 I N 1.324 121.768 120.570 -0.210 0.000 2.179 279 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 279 I C 2.779 178.784 176.117 -0.185 0.000 1.088 279 I CA 1.454 62.577 61.300 -0.294 0.000 1.357 279 I CB -0.455 37.062 38.000 -0.806 0.000 1.051 279 I HN 0.402 nan 8.210 nan 0.000 0.409 280 Q N 0.650 120.370 119.800 -0.133 0.000 2.124 280 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 280 Q C 2.095 178.108 176.000 0.022 0.000 0.977 280 Q CA 1.384 57.222 55.803 0.059 0.000 0.850 280 Q CB -0.112 28.741 28.738 0.192 0.000 0.901 280 Q HN 0.495 nan 8.270 nan 0.000 0.429 281 K N 0.823 121.075 120.400 -0.247 0.000 2.305 281 K HA 0.015 4.334 4.320 -0.000 0.000 0.199 281 K C 0.856 177.273 176.600 -0.306 0.000 1.047 281 K CA 0.325 56.282 56.287 -0.551 0.000 0.976 281 K CB 0.167 32.256 32.500 -0.686 0.000 0.765 281 K HN 0.134 nan 8.250 nan 0.000 0.474 282 S N 0.847 116.358 115.700 -0.315 0.000 2.558 282 S HA -0.027 4.443 4.470 -0.000 0.000 0.287 282 S C 1.286 175.725 174.600 -0.269 0.000 1.321 282 S CA -0.269 57.578 58.200 -0.588 0.000 1.048 282 S CB 0.305 63.286 63.200 -0.364 0.000 0.844 282 S HN 0.115 nan 8.310 nan 0.000 0.512 283 I N 1.138 121.526 120.570 -0.304 0.000 2.264 283 I HA -0.032 4.137 4.170 -0.000 0.000 0.248 283 I C 0.700 176.953 176.117 0.227 0.000 1.111 283 I CA 1.368 62.657 61.300 -0.018 0.000 1.382 283 I CB -0.499 37.496 38.000 -0.007 0.000 1.060 283 I HN 0.814 nan 8.210 nan 0.000 0.418 284 F N -3.023 116.961 119.950 0.058 0.000 2.858 284 F HA 0.529 5.055 4.527 -0.000 0.000 0.319 284 F C -0.965 174.928 175.800 0.155 0.000 1.166 284 F CA -1.191 56.904 58.000 0.158 0.000 0.899 284 F CB 0.833 40.015 39.000 0.304 0.000 1.332 284 F HN -0.524 nan 8.300 nan 0.000 0.461 285 T N 1.526 116.364 114.554 0.474 0.000 2.856 285 T HA 0.691 5.040 4.350 -0.000 0.000 0.283 285 T C -1.297 173.683 174.700 0.467 0.000 1.008 285 T CA -0.664 61.637 62.100 0.335 0.000 0.997 285 T CB 1.955 71.004 68.868 0.301 0.000 0.992 285 T HN 0.602 nan 8.240 nan 0.000 0.454 286 V N 2.351 122.463 119.914 0.331 0.000 2.409 286 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 286 V C -0.295 175.927 176.094 0.213 0.000 1.020 286 V CA -0.844 61.648 62.300 0.321 0.000 0.848 286 V CB 1.346 33.316 31.823 0.246 0.000 0.990 286 V HN 1.062 nan 8.190 nan 0.000 0.430 287 C N 6.392 125.817 119.300 0.207 0.000 2.255 287 C HA 0.559 5.018 4.460 -0.000 0.000 0.326 287 C C 0.300 175.398 174.990 0.180 0.000 1.258 287 C CA -0.889 58.225 59.018 0.159 0.000 1.676 287 C CB -0.155 27.665 27.740 0.133 0.000 2.314 287 C HN 0.710 nan 8.230 nan 0.000 0.509 288 L N 3.940 125.278 121.223 0.192 0.000 2.314 288 L HA 0.285 4.625 4.340 -0.000 0.000 0.275 288 L C -0.215 176.816 176.870 0.269 0.000 1.068 288 L CA -0.000 54.980 54.840 0.234 0.000 0.894 288 L CB -0.076 42.129 42.059 0.244 0.000 1.275 288 L HN 0.623 nan 8.230 nan 0.000 0.432 289 D N 2.635 123.170 120.400 0.225 0.000 2.357 289 D HA 0.166 4.806 4.640 -0.000 0.000 0.242 289 D C 0.280 176.702 176.300 0.202 0.000 1.153 289 D CA -0.069 54.051 54.000 0.199 0.000 0.918 289 D CB 1.016 41.933 40.800 0.194 0.000 1.181 289 D HN 0.402 nan 8.370 nan 0.000 0.435 290 K N 0.088 120.584 120.400 0.161 0.000 2.109 290 K HA 0.284 4.604 4.320 -0.000 0.000 0.243 290 K C 0.084 176.791 176.600 0.177 0.000 1.006 290 K CA -0.902 55.476 56.287 0.151 0.000 0.917 290 K CB 0.949 33.494 32.500 0.076 0.000 1.081 290 K HN 0.294 nan 8.250 nan 0.000 0.468 291 Q N 1.140 121.042 119.800 0.169 0.000 2.361 291 Q HA 0.129 4.469 4.340 -0.000 0.000 0.276 291 Q C -0.513 175.593 176.000 0.176 0.000 1.022 291 Q CA -0.528 55.369 55.803 0.157 0.000 0.898 291 Q CB 0.750 29.572 28.738 0.139 0.000 1.246 291 Q HN 0.541 nan 8.270 nan 0.000 0.410 292 V N 0.940 120.928 119.914 0.123 0.000 3.074 292 V HA 0.708 4.828 4.120 -0.000 0.000 0.314 292 V C -2.524 173.579 176.094 0.015 0.000 1.117 292 V CA -2.327 60.006 62.300 0.055 0.000 1.014 292 V CB 0.938 32.698 31.823 -0.106 0.000 1.057 292 V HN 0.789 nan 8.190 nan 0.000 0.438 293 P HA 0.305 nan 4.420 nan 0.000 0.265 293 P C -0.542 176.735 177.300 -0.038 0.000 1.193 293 P CA -0.092 63.000 63.100 -0.013 0.000 0.765 293 P CB 0.310 32.001 31.700 -0.016 0.000 0.823 294 R N 2.037 122.528 120.500 -0.016 0.000 2.490 294 R HA 0.404 4.744 4.340 -0.000 0.000 0.280 294 R C -0.226 176.032 176.300 -0.070 0.000 1.077 294 R CA -0.474 55.611 56.100 -0.024 0.000 1.065 294 R CB 0.316 30.601 30.300 -0.024 0.000 1.003 294 R HN 0.393 nan 8.270 nan 0.000 0.470 295 V N 0.367 120.227 119.914 -0.091 0.000 3.155 295 V HA 0.608 4.727 4.120 -0.000 0.000 0.313 295 V C -0.242 175.794 176.094 -0.096 0.000 1.162 295 V CA -0.917 61.279 62.300 -0.174 0.000 1.048 295 V CB 1.713 33.246 31.823 -0.484 0.000 1.092 295 V HN 0.949 nan 8.190 nan 0.000 0.447 296 S N 0.084 115.730 115.700 -0.090 0.000 2.579 296 S HA 0.137 4.607 4.470 -0.000 0.000 0.275 296 S C 0.546 175.136 174.600 -0.016 0.000 1.345 296 S CA 0.191 58.362 58.200 -0.049 0.000 1.031 296 S CB 0.610 63.791 63.200 -0.031 0.000 0.892 296 S HN 0.807 nan 8.310 nan 0.000 0.529 297 D N 1.504 121.886 120.400 -0.030 0.000 2.182 297 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 297 D C 1.563 177.892 176.300 0.048 0.000 0.986 297 D CA 1.615 55.608 54.000 -0.012 0.000 0.847 297 D CB -0.401 40.364 40.800 -0.059 0.000 0.942 297 D HN 0.877 nan 8.370 nan 0.000 0.467 298 D N 0.579 120.998 120.400 0.033 0.000 2.312 298 D HA -0.114 4.526 4.640 -0.000 0.000 0.211 298 D C 1.732 178.074 176.300 0.069 0.000 0.964 298 D CA 0.662 54.691 54.000 0.047 0.000 0.877 298 D CB -0.226 40.596 40.800 0.037 0.000 0.924 298 D HN 0.329 nan 8.370 nan 0.000 0.515 299 V N -3.479 116.483 119.914 0.078 0.000 3.380 299 V HA 0.239 4.358 4.120 -0.000 0.000 0.307 299 V C 1.853 178.041 176.094 0.156 0.000 1.434 299 V CA -0.637 61.734 62.300 0.119 0.000 1.075 299 V CB -0.836 31.075 31.823 0.147 0.000 0.954 299 V HN -0.057 nan 8.190 nan 0.000 0.444 300 Y N 2.589 122.881 120.300 -0.014 0.000 2.070 300 Y HA -0.173 4.377 4.550 -0.001 0.000 0.280 300 Y C 2.671 178.580 175.900 0.014 0.000 1.148 300 Y CA 2.545 60.628 58.100 -0.030 0.000 1.125 300 Y CB -0.134 38.294 38.460 -0.054 0.000 0.975 300 Y HN 0.181 nan 8.280 nan 0.000 0.492 301 R N -0.060 120.379 120.500 -0.101 0.000 2.120 301 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 301 R C 1.900 178.062 176.300 -0.231 0.000 1.123 301 R CA 1.276 57.249 56.100 -0.212 0.000 0.975 301 R CB -0.334 29.936 30.300 -0.050 0.000 0.866 301 R HN 0.424 nan 8.270 nan 0.000 0.446 302 N N 0.137 118.763 118.700 -0.124 0.000 2.120 302 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 302 N C 1.535 176.903 175.510 -0.238 0.000 1.024 302 N CA 1.457 54.407 53.050 -0.167 0.000 0.852 302 N CB -0.428 38.018 38.487 -0.068 0.000 1.003 302 N HN 0.361 nan 8.380 nan 0.000 0.424 303 H N -0.143 118.780 119.070 -0.244 0.000 2.389 303 H HA 0.086 4.642 4.556 -0.001 0.000 0.299 303 H C 2.035 177.176 175.328 -0.311 0.000 1.081 303 H CA 0.761 56.666 56.048 -0.240 0.000 1.345 303 H CB -0.150 29.493 29.762 -0.200 0.000 1.393 303 H HN -0.052 nan 8.280 nan 0.000 0.520 304 V N 0.478 120.197 119.914 -0.326 0.000 2.427 304 V HA -0.225 3.894 4.120 -0.000 0.000 0.248 304 V C 2.546 178.483 176.094 -0.262 0.000 1.051 304 V CA 1.500 63.608 62.300 -0.321 0.000 1.048 304 V CB -0.986 30.575 31.823 -0.436 0.000 0.666 304 V HN 0.557 nan 8.190 nan 0.000 0.456 305 A N 0.724 123.301 122.820 -0.405 0.000 1.902 305 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 305 A C 2.425 179.737 177.584 -0.454 0.000 1.181 305 A CA 1.992 53.601 52.037 -0.713 0.000 0.623 305 A CB -1.206 17.102 19.000 -1.153 0.000 0.818 305 A HN 0.521 nan 8.150 nan 0.000 0.443 306 G N -0.848 107.704 108.800 -0.413 0.000 2.418 306 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.217 306 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.217 306 G C 1.621 176.141 174.900 -0.634 0.000 1.158 306 G CA 1.134 45.901 45.100 -0.555 0.000 0.771 306 G HN 0.657 nan 8.290 nan 0.000 0.545 307 Q N -0.741 118.889 119.800 -0.284 0.000 2.096 307 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 307 Q C 2.507 178.483 176.000 -0.039 0.000 0.982 307 Q CA 1.445 57.176 55.803 -0.120 0.000 0.850 307 Q CB -0.148 28.565 28.738 -0.041 0.000 0.901 307 Q HN 0.345 nan 8.270 nan 0.000 0.422 308 M N -0.183 119.424 119.600 0.012 0.000 2.200 308 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 308 M C 2.114 178.509 176.300 0.159 0.000 1.066 308 M CA 0.854 56.238 55.300 0.140 0.000 1.127 308 M CB -0.937 31.832 32.600 0.282 0.000 1.379 308 M HN 0.307 nan 8.290 nan 0.000 0.420 309 L N 0.341 121.646 121.223 0.137 0.000 2.072 309 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 309 L C 2.426 179.346 176.870 0.083 0.000 1.079 309 L CA 1.784 56.702 54.840 0.129 0.000 0.752 309 L CB -0.439 41.729 42.059 0.181 0.000 0.906 309 L HN 0.539 nan 8.230 nan 0.000 0.436 310 H N -4.729 114.412 119.070 0.118 0.000 3.622 310 H HA 0.382 4.938 4.556 -0.001 0.000 0.259 310 H C 1.352 176.799 175.328 0.198 0.000 1.145 310 H CA 0.661 56.742 56.048 0.054 0.000 1.178 310 H CB 0.591 30.303 29.762 -0.084 0.000 1.542 310 H HN 0.206 nan 8.280 nan 0.000 0.586 311 G N 0.722 109.626 108.800 0.173 0.000 2.194 311 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.236 311 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.236 311 G C 1.335 176.428 174.900 0.322 0.000 0.987 311 G CA 0.747 46.004 45.100 0.263 0.000 0.635 311 G HN 1.354 nan 8.290 nan 0.000 0.520 312 G N -1.107 107.990 108.800 0.494 0.000 2.225 312 G HA2 0.430 4.390 3.960 -0.000 0.000 0.254 312 G HA3 0.430 4.390 3.960 -0.000 0.000 0.254 312 G C 1.466 176.655 174.900 0.482 0.000 0.988 312 G CA 0.873 46.246 45.100 0.455 0.000 0.625 312 G HN 2.971 nan 8.290 nan 0.000 0.527 313 G N -1.790 107.223 108.800 0.354 0.000 2.381 313 G HA2 0.422 4.382 3.960 -0.000 0.000 0.672 313 G HA3 0.422 4.382 3.960 -0.000 0.000 0.672 313 G C 0.869 175.836 174.900 0.112 0.000 1.324 313 G CA 0.896 46.113 45.100 0.194 0.000 0.975 313 G HN 1.792 nan 8.290 nan 0.000 0.593 314 S N -0.556 115.144 115.700 0.000 0.000 2.442 314 S HA -0.126 4.343 4.470 -0.000 0.000 0.236 314 S C 1.854 176.413 174.600 -0.069 0.000 1.007 314 S CA 1.842 60.011 58.200 -0.051 0.000 0.965 314 S CB -0.308 62.850 63.200 -0.071 0.000 0.773 314 S HN 1.048 nan 8.310 nan 0.000 0.504 315 K N -0.176 120.073 120.400 -0.251 0.000 2.400 315 K HA 0.225 4.545 4.320 -0.000 0.000 0.194 315 K C 0.684 176.925 176.600 -0.599 0.000 1.033 315 K CA 0.382 56.372 56.287 -0.495 0.000 1.021 315 K CB -0.208 31.808 32.500 -0.807 0.000 0.808 315 K HN 0.486 nan 8.250 nan 0.000 0.505 316 F N 1.078 121.127 119.950 0.166 0.000 2.243 316 F HA 0.250 4.776 4.527 -0.001 0.000 0.205 316 F C 1.467 177.403 175.800 0.227 0.000 1.141 316 F CA -0.828 57.274 58.000 0.170 0.000 1.193 316 F CB 0.077 39.163 39.000 0.143 0.000 1.576 316 F HN -0.177 nan 8.300 nan 0.000 0.484 317 N N -0.546 118.415 118.700 0.434 0.000 2.170 317 N HA 0.113 4.853 4.740 -0.000 0.000 0.222 317 N C 0.956 176.634 175.510 0.281 0.000 1.218 317 N CA 0.229 53.485 53.050 0.344 0.000 0.889 317 N CB 0.772 39.420 38.487 0.268 0.000 1.083 317 N HN 0.077 nan 8.380 nan 0.000 0.520 318 S N 0.145 116.000 115.700 0.259 0.000 2.419 318 S HA -0.063 4.407 4.470 -0.000 0.000 0.233 318 S C 1.914 176.585 174.600 0.119 0.000 1.016 318 S CA 1.171 59.514 58.200 0.239 0.000 0.974 318 S CB -0.095 63.219 63.200 0.191 0.000 0.786 318 S HN 0.504 nan 8.310 nan 0.000 0.492 319 G N 0.826 109.582 108.800 -0.074 0.000 2.712 319 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.212 319 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.212 319 G C 0.732 175.579 174.900 -0.089 0.000 1.142 319 G CA -0.109 44.771 45.100 -0.367 0.000 0.789 319 G HN 0.403 nan 8.290 nan 0.000 0.535 320 N N 0.779 119.573 118.700 0.158 0.000 3.052 320 N HA 0.190 4.930 4.740 -0.000 0.000 0.302 320 N C -0.025 175.508 175.510 0.040 0.000 1.332 320 N CA -0.118 53.032 53.050 0.167 0.000 1.129 320 N CB -0.050 38.573 38.487 0.226 0.000 1.436 320 N HN 0.088 nan 8.380 nan 0.000 0.536 321 R N -0.453 120.071 120.500 0.041 0.000 2.752 321 R HA 0.335 4.675 4.340 -0.000 0.000 0.271 321 R C -1.519 174.904 176.300 0.204 0.000 1.026 321 R CA -0.648 55.402 56.100 -0.082 0.000 0.901 321 R CB 1.173 31.082 30.300 -0.652 0.000 1.243 321 R HN 0.227 nan 8.270 nan 0.000 0.463 322 W N 2.554 123.771 121.300 -0.138 0.000 2.409 322 W HA 0.259 4.919 4.660 -0.000 0.000 0.285 322 W C -0.853 175.597 176.519 -0.116 0.000 1.030 322 W CA -0.624 56.721 57.345 -0.000 0.000 1.330 322 W CB 0.396 29.949 29.460 0.154 0.000 1.236 322 W HN 0.633 nan 8.180 nan 0.000 0.341 323 F N 1.457 121.311 119.950 -0.160 0.000 2.546 323 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 323 F C 1.820 177.587 175.800 -0.055 0.000 1.120 323 F CA 1.102 59.041 58.000 -0.102 0.000 1.456 323 F CB -0.027 38.867 39.000 -0.177 0.000 1.088 323 F HN 0.031 nan 8.300 nan 0.000 0.572 324 D N -0.052 120.370 120.400 0.036 0.000 2.277 324 D HA -0.064 4.576 4.640 -0.000 0.000 0.208 324 D C 1.060 177.551 176.300 0.318 0.000 0.962 324 D CA 0.640 54.758 54.000 0.197 0.000 0.865 324 D CB -0.126 40.846 40.800 0.287 0.000 0.939 324 D HN 0.018 nan 8.370 nan 0.000 0.510 325 K N 0.754 121.406 120.400 0.420 0.000 2.401 325 K HA 0.039 4.359 4.320 -0.000 0.000 0.278 325 K C 1.083 177.818 176.600 0.225 0.000 1.018 325 K CA 0.268 56.765 56.287 0.350 0.000 0.981 325 K CB 0.658 33.376 32.500 0.364 0.000 0.933 325 K HN -0.227 nan 8.250 nan 0.000 0.477 326 T N 3.336 118.010 114.554 0.199 0.000 2.708 326 T HA -0.046 4.303 4.350 -0.000 0.000 0.266 326 T C 0.302 175.073 174.700 0.117 0.000 1.037 326 T CA 1.105 63.295 62.100 0.150 0.000 1.146 326 T CB -0.076 68.873 68.868 0.135 0.000 0.865 326 T HN 0.392 nan 8.240 nan 0.000 0.435 327 L N 1.464 122.757 121.223 0.116 0.000 2.349 327 L HA 0.477 4.817 4.340 -0.000 0.000 0.278 327 L C -0.596 176.282 176.870 0.014 0.000 0.996 327 L CA -0.550 54.281 54.840 -0.015 0.000 0.825 327 L CB 1.946 44.007 42.059 0.002 0.000 1.243 327 L HN 0.039 nan 8.230 nan 0.000 0.412 328 Q N 3.413 123.127 119.800 -0.142 0.000 2.309 328 Q HA 0.489 4.828 4.340 -0.000 0.000 0.270 328 Q C -1.470 174.416 176.000 -0.189 0.000 1.023 328 Q CA -0.522 55.268 55.803 -0.022 0.000 0.758 328 Q CB 2.510 31.247 28.738 -0.000 0.000 1.247 328 Q HN 0.385 nan 8.270 nan 0.000 0.455 329 F N 2.923 122.949 119.950 0.127 0.000 2.410 329 F HA 0.461 4.987 4.527 -0.000 0.000 0.349 329 F C 0.207 176.083 175.800 0.127 0.000 1.117 329 F CA -0.521 57.536 58.000 0.095 0.000 1.104 329 F CB 0.848 39.877 39.000 0.049 0.000 1.122 329 F HN 0.310 nan 8.300 nan 0.000 0.483 330 I N 4.120 124.849 120.570 0.264 0.000 2.378 330 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 330 I C -0.990 175.298 176.117 0.284 0.000 0.992 330 I CA -0.885 60.554 61.300 0.233 0.000 1.154 330 I CB 1.716 39.818 38.000 0.171 0.000 1.315 330 I HN 0.176 nan 8.210 nan 0.000 0.448 331 V N 6.127 126.214 119.914 0.288 0.000 2.326 331 V HA 0.508 4.627 4.120 -0.000 0.000 0.281 331 V C 0.559 176.854 176.094 0.334 0.000 1.015 331 V CA -0.598 61.920 62.300 0.363 0.000 0.823 331 V CB 1.254 33.280 31.823 0.338 0.000 1.009 331 V HN 0.851 nan 8.190 nan 0.000 0.436 332 A N 3.265 126.292 122.820 0.345 0.000 2.366 332 A HA 0.375 4.694 4.320 -0.000 0.000 0.249 332 A C 1.329 179.140 177.584 0.378 0.000 1.084 332 A CA -0.083 52.127 52.037 0.288 0.000 0.794 332 A CB 0.398 19.515 19.000 0.194 0.000 1.034 332 A HN 0.824 nan 8.150 nan 0.000 0.491 333 E N 0.420 120.792 120.200 0.287 0.000 2.150 333 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 333 E C 0.582 177.353 176.600 0.285 0.000 0.985 333 E CA 1.669 58.248 56.400 0.299 0.000 0.814 333 E CB -0.056 29.771 29.700 0.213 0.000 0.752 333 E HN 0.798 nan 8.360 nan 0.000 0.466 334 D N -1.565 118.927 120.400 0.154 0.000 2.325 334 D HA 0.098 4.737 4.640 -0.000 0.000 0.225 334 D C 1.207 177.368 176.300 -0.231 0.000 1.096 334 D CA 0.803 54.812 54.000 0.014 0.000 0.844 334 D CB 0.211 41.045 40.800 0.057 0.000 0.925 334 D HN 0.278 nan 8.370 nan 0.000 0.513 335 G N -0.585 107.902 108.800 -0.521 0.000 2.259 335 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 335 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 335 G C 0.500 175.111 174.900 -0.482 0.000 1.001 335 G CA 0.089 44.484 45.100 -1.175 0.000 0.627 335 G HN 0.411 nan 8.290 nan 0.000 0.501 336 S N 0.334 115.963 115.700 -0.120 0.000 2.589 336 S HA 0.574 5.044 4.470 -0.000 0.000 0.265 336 S C 0.576 175.241 174.600 0.107 0.000 1.342 336 S CA 0.558 58.765 58.200 0.012 0.000 1.005 336 S CB 1.234 64.471 63.200 0.061 0.000 0.909 336 S HN 1.776 nan 8.310 nan 0.000 0.555 337 C N -0.662 118.717 119.300 0.131 0.000 3.307 337 C HA 1.006 5.466 4.460 -0.000 0.000 0.333 337 C C 0.113 175.227 174.990 0.206 0.000 1.291 337 C CA -0.056 59.102 59.018 0.234 0.000 1.273 337 C CB 0.830 28.790 27.740 0.367 0.000 1.580 337 C HN 1.080 nan 8.230 nan 0.000 0.481 338 G N 0.884 109.819 108.800 0.225 0.000 2.450 338 G HA2 0.836 4.795 3.960 -0.000 0.000 0.273 338 G HA3 0.836 4.795 3.960 -0.000 0.000 0.273 338 G C -1.351 173.627 174.900 0.130 0.000 1.221 338 G CA -0.166 45.038 45.100 0.175 0.000 0.900 338 G HN 1.894 nan 8.290 nan 0.000 0.483 339 M N -1.733 117.892 119.600 0.041 0.000 2.880 339 M HA 0.825 5.305 4.480 -0.000 0.000 0.269 339 M C -1.953 174.315 176.300 -0.053 0.000 1.248 339 M CA -1.075 54.182 55.300 -0.072 0.000 0.821 339 M CB 2.043 34.459 32.600 -0.306 0.000 1.650 339 M HN 1.284 nan 8.290 nan 0.000 0.479 340 V N 2.065 121.942 119.914 -0.063 0.000 2.711 340 V HA 0.713 4.833 4.120 -0.000 0.000 0.304 340 V C -2.089 174.008 176.094 0.006 0.000 1.097 340 V CA -0.256 62.028 62.300 -0.026 0.000 0.906 340 V CB 2.186 34.053 31.823 0.073 0.000 1.015 340 V HN 0.895 nan 8.190 nan 0.000 0.427 341 Y N 3.236 123.459 120.300 -0.127 0.000 2.429 341 Y HA 0.772 5.321 4.550 -0.000 0.000 0.342 341 Y C -0.132 175.726 175.900 -0.070 0.000 1.004 341 Y CA -1.033 56.991 58.100 -0.127 0.000 1.075 341 Y CB 1.431 39.768 38.460 -0.204 0.000 1.214 341 Y HN 0.581 nan 8.280 nan 0.000 0.455 342 E N 2.644 122.902 120.200 0.096 0.000 2.257 342 E HA -0.014 4.336 4.350 -0.000 0.000 0.278 342 E C 0.247 176.875 176.600 0.046 0.000 1.049 342 E CA 0.232 56.663 56.400 0.052 0.000 0.876 342 E CB 0.301 30.063 29.700 0.103 0.000 1.035 342 E HN 0.928 nan 8.360 nan 0.000 0.419 343 H N 3.963 122.934 119.070 -0.165 0.000 2.491 343 H HA -0.010 4.546 4.556 -0.001 0.000 0.290 343 H C 1.436 176.345 175.328 -0.699 0.000 1.050 343 H CA 1.295 57.151 56.048 -0.320 0.000 1.309 343 H CB 0.310 29.856 29.762 -0.361 0.000 1.392 343 H HN 0.590 nan 8.280 nan 0.000 0.554 344 A N 0.410 122.966 122.820 -0.441 0.000 1.908 344 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 344 A C 2.601 180.072 177.584 -0.188 0.000 1.181 344 A CA 1.785 53.549 52.037 -0.455 0.000 0.627 344 A CB -0.764 18.167 19.000 -0.114 0.000 0.818 344 A HN 0.447 nan 8.150 nan 0.000 0.445 345 A N -1.876 120.905 122.820 -0.065 0.000 2.123 345 A HA 0.614 4.934 4.320 -0.000 0.000 0.214 345 A C 1.100 178.683 177.584 -0.002 0.000 1.152 345 A CA 1.364 53.399 52.037 -0.003 0.000 0.728 345 A CB -0.378 18.641 19.000 0.032 0.000 0.814 345 A HN 1.408 nan 8.150 nan 0.000 0.464 346 A N -1.200 121.624 122.820 0.006 0.000 2.529 346 A HA 0.699 5.018 4.320 -0.000 0.000 0.296 346 A C -1.362 176.237 177.584 0.026 0.000 1.205 346 A CA -0.666 51.352 52.037 -0.032 0.000 0.671 346 A CB 0.722 19.627 19.000 -0.158 0.000 1.301 346 A HN 0.031 nan 8.150 nan 0.000 0.450 347 E N -0.982 119.167 120.200 -0.085 0.000 2.355 347 E HA 0.492 4.842 4.350 -0.000 0.000 0.261 347 E C 1.147 177.612 176.600 -0.225 0.000 0.943 347 E CA -0.128 56.257 56.400 -0.026 0.000 0.806 347 E CB 1.309 31.024 29.700 0.024 0.000 1.286 347 E HN 0.779 nan 8.360 nan 0.000 0.424 348 G N 1.279 110.010 108.800 -0.115 0.000 2.511 348 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 348 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 348 G C -1.080 173.698 174.900 -0.204 0.000 1.218 348 G CA 0.895 45.897 45.100 -0.164 0.000 0.788 348 G HN 0.365 nan 8.290 nan 0.000 0.560 349 P HA -0.121 nan 4.420 nan 0.000 0.217 349 P C -1.317 175.889 177.300 -0.157 0.000 1.158 349 P CA 2.180 65.215 63.100 -0.109 0.000 0.887 349 P CB -0.713 30.948 31.700 -0.066 0.000 0.792 350 P HA -0.100 nan 4.420 nan 0.000 0.217 350 P C 1.457 178.588 177.300 -0.282 0.000 1.150 350 P CA 1.107 63.915 63.100 -0.486 0.000 0.832 350 P CB -0.483 30.780 31.700 -0.728 0.000 0.787 351 I N -0.450 119.901 120.570 -0.365 0.000 2.286 351 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 351 I C 2.350 178.309 176.117 -0.264 0.000 1.115 351 I CA 1.618 62.680 61.300 -0.396 0.000 1.392 351 I CB -1.615 35.988 38.000 -0.662 0.000 1.065 351 I HN -0.048 nan 8.210 nan 0.000 0.418 352 V N 0.037 119.837 119.914 -0.190 0.000 2.548 352 V HA -0.042 4.078 4.120 -0.000 0.000 0.249 352 V C 2.669 178.719 176.094 -0.073 0.000 1.055 352 V CA 1.378 63.614 62.300 -0.107 0.000 1.065 352 V CB -1.235 30.550 31.823 -0.063 0.000 0.681 352 V HN 0.245 nan 8.190 nan 0.000 0.462 353 A N 0.703 123.505 122.820 -0.031 0.000 1.908 353 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 353 A C 2.301 179.770 177.584 -0.192 0.000 1.181 353 A CA 2.241 54.315 52.037 0.062 0.000 0.627 353 A CB -0.671 18.544 19.000 0.359 0.000 0.818 353 A HN 0.665 nan 8.150 nan 0.000 0.445 354 L N -0.384 120.523 121.223 -0.527 0.000 2.027 354 L HA -0.118 4.221 4.340 -0.000 0.000 0.206 354 L C 2.413 179.022 176.870 -0.434 0.000 1.074 354 L CA 1.503 55.692 54.840 -1.084 0.000 0.745 354 L CB -0.274 41.262 42.059 -0.872 0.000 0.898 354 L HN 0.204 nan 8.230 nan 0.000 0.433 355 V N 0.452 120.239 119.914 -0.212 0.000 2.252 355 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 355 V C 2.237 178.323 176.094 -0.014 0.000 1.056 355 V CA 2.257 64.520 62.300 -0.062 0.000 1.022 355 V CB -0.750 31.054 31.823 -0.031 0.000 0.641 355 V HN 0.528 nan 8.190 nan 0.000 0.445 356 D N -1.316 119.081 120.400 -0.006 0.000 2.123 356 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 356 D C 2.097 178.435 176.300 0.063 0.000 0.992 356 D CA 1.505 55.528 54.000 0.038 0.000 0.833 356 D CB -0.419 40.411 40.800 0.050 0.000 0.954 356 D HN 0.554 nan 8.370 nan 0.000 0.455 357 H N 0.679 119.742 119.070 -0.012 0.000 2.357 357 H HA -0.049 4.506 4.556 -0.001 0.000 0.301 357 H C 2.049 177.414 175.328 0.062 0.000 1.082 357 H CA 1.048 57.132 56.048 0.060 0.000 1.342 357 H CB -0.032 29.817 29.762 0.145 0.000 1.389 357 H HN -0.047 nan 8.280 nan 0.000 0.511 358 V N 1.352 121.325 119.914 0.099 0.000 2.307 358 V HA -0.266 3.853 4.120 -0.000 0.000 0.245 358 V C 2.871 179.006 176.094 0.068 0.000 1.045 358 V CA 1.621 63.947 62.300 0.044 0.000 1.024 358 V CB -0.498 31.279 31.823 -0.077 0.000 0.651 358 V HN 0.339 nan 8.190 nan 0.000 0.449 359 M N -0.253 119.391 119.600 0.073 0.000 2.108 359 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 359 M C 2.183 178.537 176.300 0.089 0.000 1.066 359 M CA 1.724 57.092 55.300 0.113 0.000 1.107 359 M CB -1.351 31.314 32.600 0.108 0.000 1.356 359 M HN 0.540 nan 8.290 nan 0.000 0.406 360 E N -0.635 119.591 120.200 0.043 0.000 2.077 360 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 360 E C 2.090 178.689 176.600 -0.002 0.000 0.989 360 E CA 1.274 57.677 56.400 0.006 0.000 0.800 360 E CB -0.264 29.415 29.700 -0.035 0.000 0.746 360 E HN 0.509 nan 8.360 nan 0.000 0.452 361 Y N 1.475 121.695 120.300 -0.134 0.000 2.274 361 Y HA -0.179 4.371 4.550 -0.001 0.000 0.290 361 Y C 2.477 178.350 175.900 -0.046 0.000 1.145 361 Y CA 2.152 60.181 58.100 -0.118 0.000 1.203 361 Y CB -0.396 37.978 38.460 -0.143 0.000 0.984 361 Y HN 0.184 nan 8.280 nan 0.000 0.533 362 T N -2.718 111.936 114.554 0.166 0.000 3.113 362 T HA -0.054 4.295 4.350 -0.000 0.000 0.263 362 T C 1.469 176.210 174.700 0.069 0.000 1.143 362 T CA 0.673 62.858 62.100 0.142 0.000 1.090 362 T CB -0.135 68.872 68.868 0.231 0.000 0.922 362 T HN 0.152 nan 8.240 nan 0.000 0.521 363 K N 0.962 121.370 120.400 0.014 0.000 2.400 363 K HA 0.219 4.538 4.320 -0.000 0.000 0.194 363 K C 0.700 177.261 176.600 -0.064 0.000 1.033 363 K CA 0.103 56.385 56.287 -0.007 0.000 1.021 363 K CB 0.202 32.701 32.500 -0.002 0.000 0.808 363 K HN 0.476 nan 8.250 nan 0.000 0.505 364 K N 2.181 122.495 120.400 -0.144 0.000 2.414 364 K HA 0.056 4.376 4.320 -0.000 0.000 0.272 364 K C -2.336 174.190 176.600 -0.124 0.000 0.993 364 K CA -1.252 54.928 56.287 -0.179 0.000 0.964 364 K CB -0.147 32.148 32.500 -0.341 0.000 0.925 364 K HN -0.119 nan 8.250 nan 0.000 0.487 365 P HA -0.002 nan 4.420 nan 0.000 0.269 365 P C -0.704 176.552 177.300 -0.073 0.000 1.209 365 P CA -0.037 63.022 63.100 -0.069 0.000 0.776 365 P CB 0.504 32.170 31.700 -0.056 0.000 0.876 366 E N 1.697 121.864 120.200 -0.056 0.000 2.398 366 E HA 0.133 4.482 4.350 -0.000 0.000 0.263 366 E C 0.187 176.760 176.600 -0.045 0.000 1.046 366 E CA 0.110 56.479 56.400 -0.051 0.000 0.908 366 E CB 0.388 30.061 29.700 -0.045 0.000 0.963 366 E HN 0.351 nan 8.360 nan 0.000 0.431 367 L N 0.521 121.721 121.223 -0.039 0.000 2.376 367 L HA 0.310 4.649 4.340 -0.000 0.000 0.267 367 L C 0.313 177.170 176.870 -0.022 0.000 1.035 367 L CA -1.165 53.657 54.840 -0.029 0.000 0.800 367 L CB 0.999 43.044 42.059 -0.023 0.000 1.290 367 L HN 0.168 nan 8.230 nan 0.000 0.462 368 V N 2.598 122.502 119.914 -0.017 0.000 2.153 368 V HA 0.127 4.247 4.120 -0.000 0.000 0.250 368 V C 0.335 176.425 176.094 -0.008 0.000 1.334 368 V CA -0.530 61.761 62.300 -0.014 0.000 1.249 368 V CB -0.888 30.928 31.823 -0.012 0.000 1.371 368 V HN 0.524 nan 8.190 nan 0.000 0.498 369 R N 2.118 122.614 120.500 -0.007 0.000 2.484 369 R HA 0.188 4.528 4.340 -0.000 0.000 0.293 369 R C 0.809 177.110 176.300 0.001 0.000 1.023 369 R CA 0.148 56.248 56.100 0.001 0.000 1.037 369 R CB 0.269 30.571 30.300 0.004 0.000 0.951 369 R HN 0.544 nan 8.270 nan 0.000 0.418 370 S N 3.780 119.482 115.700 0.004 0.000 2.641 370 S HA 0.126 4.596 4.470 -0.000 0.000 0.251 370 S C -1.769 172.833 174.600 0.004 0.000 1.332 370 S CA -0.655 57.545 58.200 0.001 0.000 0.968 370 S CB -0.186 63.013 63.200 -0.002 0.000 0.987 370 S HN 0.418 nan 8.310 nan 0.000 0.587 371 P HA 0.139 nan 4.420 nan 0.000 0.267 371 P C -0.512 176.793 177.300 0.009 0.000 1.200 371 P CA -0.210 62.892 63.100 0.004 0.000 0.772 371 P CB 0.292 31.992 31.700 0.001 0.000 0.855 372 M N 3.803 123.413 119.600 0.017 0.000 2.228 372 M HA 0.221 4.700 4.480 -0.000 0.000 0.351 372 M C -0.647 175.665 176.300 0.020 0.000 1.233 372 M CA -0.323 54.993 55.300 0.027 0.000 1.129 372 M CB 0.107 32.729 32.600 0.035 0.000 1.604 372 M HN 0.171 nan 8.290 nan 0.000 0.457 373 V N 3.637 123.566 119.914 0.025 0.000 2.850 373 V HA 0.811 4.931 4.120 -0.000 0.000 0.315 373 V C -2.511 173.602 176.094 0.031 0.000 1.064 373 V CA -2.020 60.290 62.300 0.016 0.000 0.979 373 V CB 0.665 32.484 31.823 -0.006 0.000 1.039 373 V HN 0.830 nan 8.190 nan 0.000 0.452 374 P HA 0.431 nan 4.420 nan 0.000 0.268 374 P C -0.957 176.369 177.300 0.044 0.000 1.205 374 P CA 0.167 63.284 63.100 0.027 0.000 0.771 374 P CB 0.336 32.048 31.700 0.019 0.000 0.858 375 L N 4.004 125.249 121.223 0.036 0.000 2.388 375 L HA 0.556 4.895 4.340 -0.000 0.000 0.264 375 L C -2.071 174.811 176.870 0.020 0.000 0.998 375 L CA -2.149 52.715 54.840 0.040 0.000 0.817 375 L CB 2.204 44.283 42.059 0.032 0.000 1.338 375 L HN 0.303 nan 8.230 nan 0.000 0.414 376 P HA 0.176 nan 4.420 nan 0.000 0.274 376 P C -0.879 176.421 177.300 0.001 0.000 1.246 376 P CA -0.683 62.422 63.100 0.009 0.000 0.795 376 P CB 0.917 32.623 31.700 0.010 0.000 1.006 377 M N 2.305 121.907 119.600 0.003 0.000 2.146 377 M HA 0.334 4.813 4.480 -0.000 0.000 0.352 377 M C -2.404 173.908 176.300 0.021 0.000 1.343 377 M CA -2.196 53.108 55.300 0.007 0.000 1.115 377 M CB -0.394 32.215 32.600 0.014 0.000 1.657 377 M HN 0.092 nan 8.290 nan 0.000 0.471 378 P HA 0.019 nan 4.420 nan 0.000 0.265 378 P C -1.146 176.237 177.300 0.138 0.000 1.187 378 P CA 0.237 63.377 63.100 0.067 0.000 0.766 378 P CB 0.281 32.010 31.700 0.049 0.000 0.820 379 K N 2.938 123.395 120.400 0.094 0.000 2.312 379 K HA 0.139 4.459 4.320 -0.000 0.000 0.287 379 K C 0.275 176.892 176.600 0.027 0.000 1.062 379 K CA -0.341 55.970 56.287 0.039 0.000 0.934 379 K CB 0.754 33.224 32.500 -0.050 0.000 1.027 379 K HN 0.393 nan 8.250 nan 0.000 0.478 380 K N 4.206 124.566 120.400 -0.066 0.000 2.339 380 K HA 0.128 4.448 4.320 -0.000 0.000 0.286 380 K C -0.417 175.974 176.600 -0.348 0.000 1.050 380 K CA -0.335 55.693 56.287 -0.433 0.000 0.956 380 K CB 0.394 32.655 32.500 -0.399 0.000 0.990 380 K HN 0.485 nan 8.250 nan 0.000 0.475 381 L N 6.424 127.411 121.223 -0.393 0.000 2.358 381 L HA 0.301 4.641 4.340 -0.000 0.000 0.274 381 L C 0.423 177.022 176.870 -0.451 0.000 1.136 381 L CA -0.483 54.135 54.840 -0.371 0.000 0.970 381 L CB 0.330 42.193 42.059 -0.326 0.000 1.314 381 L HN 0.554 nan 8.230 nan 0.000 0.427 382 R N 1.723 121.990 120.500 -0.388 0.000 2.707 382 R HA 0.494 4.833 4.340 -0.000 0.000 0.270 382 R C -1.055 174.965 176.300 -0.467 0.000 1.083 382 R CA -0.067 55.857 56.100 -0.294 0.000 1.182 382 R CB 0.781 30.985 30.300 -0.160 0.000 1.084 382 R HN 0.178 nan 8.270 nan 0.000 0.528 383 F N 0.287 120.237 119.950 -0.001 0.000 2.539 383 F HA 0.280 4.807 4.527 -0.000 0.000 0.318 383 F C -0.157 175.655 175.800 0.020 0.000 1.135 383 F CA -0.954 57.056 58.000 0.018 0.000 0.915 383 F CB 1.650 40.686 39.000 0.060 0.000 1.176 383 F HN 0.280 nan 8.300 nan 0.000 0.440 384 N N 4.532 123.354 118.700 0.204 0.000 2.408 384 N HA 0.306 5.046 4.740 -0.000 0.000 0.257 384 N C -0.650 174.937 175.510 0.128 0.000 1.064 384 N CA -0.214 52.908 53.050 0.121 0.000 0.952 384 N CB 1.300 39.829 38.487 0.069 0.000 1.093 384 N HN 0.303 nan 8.380 nan 0.000 0.490 385 I N 1.892 122.523 120.570 0.101 0.000 2.365 385 I HA 0.227 4.396 4.170 -0.000 0.000 0.291 385 I C 1.201 177.350 176.117 0.053 0.000 1.004 385 I CA -0.414 60.933 61.300 0.078 0.000 1.311 385 I CB 0.669 38.711 38.000 0.071 0.000 1.401 385 I HN 0.386 nan 8.210 nan 0.000 0.491 386 T N 2.827 117.408 114.554 0.045 0.000 2.940 386 T HA 0.495 4.844 4.350 -0.000 0.000 0.288 386 T C -2.131 172.586 174.700 0.027 0.000 1.045 386 T CA -1.869 60.250 62.100 0.033 0.000 1.018 386 T CB 2.015 70.901 68.868 0.030 0.000 1.151 386 T HN 0.208 nan 8.240 nan 0.000 0.529 387 P HA -0.092 nan 4.420 nan 0.000 0.216 387 P C 1.407 178.717 177.300 0.017 0.000 1.150 387 P CA 1.057 64.167 63.100 0.017 0.000 0.843 387 P CB 0.175 31.883 31.700 0.013 0.000 0.787 388 E N -0.292 119.919 120.200 0.018 0.000 2.051 388 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 388 E C 1.928 178.543 176.600 0.025 0.000 0.991 388 E CA 1.051 57.463 56.400 0.020 0.000 0.799 388 E CB -0.534 29.177 29.700 0.019 0.000 0.748 388 E HN 0.121 nan 8.360 nan 0.000 0.449 389 I N 1.002 121.590 120.570 0.030 0.000 2.226 389 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 389 I C 2.739 178.868 176.117 0.021 0.000 1.100 389 I CA 1.226 62.546 61.300 0.033 0.000 1.374 389 I CB -0.312 37.711 38.000 0.038 0.000 1.057 389 I HN 0.131 nan 8.210 nan 0.000 0.413 390 K N 1.136 121.547 120.400 0.019 0.000 2.097 390 K HA -0.259 4.060 4.320 -0.000 0.000 0.206 390 K C 1.925 178.528 176.600 0.006 0.000 1.049 390 K CA 2.012 58.306 56.287 0.011 0.000 0.933 390 K CB -0.137 32.372 32.500 0.015 0.000 0.717 390 K HN 0.198 nan 8.250 nan 0.000 0.442 391 N N 1.055 119.760 118.700 0.009 0.000 2.120 391 N HA -0.164 4.575 4.740 -0.000 0.000 0.188 391 N C 1.254 176.768 175.510 0.006 0.000 1.024 391 N CA 1.903 54.956 53.050 0.006 0.000 0.852 391 N CB -0.079 38.413 38.487 0.008 0.000 1.003 391 N HN 0.170 nan 8.380 nan 0.000 0.424 392 D N 0.139 120.549 120.400 0.017 0.000 2.117 392 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 392 D C 1.969 178.269 176.300 0.000 0.000 0.987 392 D CA 0.824 54.840 54.000 0.026 0.000 0.829 392 D CB -0.214 40.623 40.800 0.062 0.000 0.961 392 D HN 0.433 nan 8.370 nan 0.000 0.460 393 I N 1.182 121.743 120.570 -0.014 0.000 2.226 393 I HA -0.213 3.956 4.170 -0.000 0.000 0.245 393 I C 2.314 178.403 176.117 -0.047 0.000 1.100 393 I CA 0.973 62.246 61.300 -0.046 0.000 1.374 393 I CB -0.092 37.880 38.000 -0.047 0.000 1.057 393 I HN -0.095 nan 8.210 nan 0.000 0.413 394 E N 0.908 121.090 120.200 -0.029 0.000 2.110 394 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 394 E C 2.122 178.704 176.600 -0.029 0.000 0.988 394 E CA 0.986 57.369 56.400 -0.028 0.000 0.804 394 E CB -0.206 29.484 29.700 -0.016 0.000 0.745 394 E HN 0.359 nan 8.360 nan 0.000 0.458 395 K N 0.590 120.977 120.400 -0.022 0.000 2.097 395 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 395 K C 2.034 178.615 176.600 -0.033 0.000 1.050 395 K CA 0.985 57.259 56.287 -0.021 0.000 0.938 395 K CB -0.383 32.112 32.500 -0.009 0.000 0.718 395 K HN 0.083 nan 8.250 nan 0.000 0.442 396 A N 1.734 124.527 122.820 -0.045 0.000 1.930 396 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 396 A C 2.104 179.641 177.584 -0.077 0.000 1.175 396 A CA 1.485 53.478 52.037 -0.073 0.000 0.627 396 A CB -0.279 18.654 19.000 -0.112 0.000 0.815 396 A HN 0.254 nan 8.150 nan 0.000 0.443 397 K N -0.497 119.861 120.400 -0.070 0.000 2.032 397 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 397 K C 2.348 178.917 176.600 -0.052 0.000 1.048 397 K CA 1.839 58.087 56.287 -0.065 0.000 0.927 397 K CB -0.232 32.233 32.500 -0.058 0.000 0.712 397 K HN 0.623 nan 8.250 nan 0.000 0.441 398 Q N 0.477 120.252 119.800 -0.043 0.000 2.050 398 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 398 Q C 2.006 177.984 176.000 -0.037 0.000 0.980 398 Q CA 1.813 57.596 55.803 -0.035 0.000 0.840 398 Q CB -0.243 28.477 28.738 -0.028 0.000 0.898 398 Q HN 0.295 nan 8.270 nan 0.000 0.424 399 N N 0.426 119.102 118.700 -0.040 0.000 2.084 399 N HA -0.194 4.545 4.740 -0.000 0.000 0.190 399 N C 1.570 177.050 175.510 -0.049 0.000 1.030 399 N CA 0.860 53.889 53.050 -0.036 0.000 0.849 399 N CB -0.170 38.298 38.487 -0.031 0.000 1.012 399 N HN 0.153 nan 8.380 nan 0.000 0.423 400 L N 0.166 121.345 121.223 -0.073 0.000 2.083 400 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 400 L C 2.346 179.160 176.870 -0.094 0.000 1.083 400 L CA 1.611 56.390 54.840 -0.102 0.000 0.752 400 L CB -1.315 40.678 42.059 -0.110 0.000 0.899 400 L HN 0.268 nan 8.230 nan 0.000 0.433 401 S N -0.657 115.006 115.700 -0.062 0.000 2.370 401 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 401 S C 2.049 176.620 174.600 -0.047 0.000 1.033 401 S CA 1.705 59.877 58.200 -0.047 0.000 1.011 401 S CB -0.410 62.774 63.200 -0.027 0.000 0.852 401 S HN 0.502 nan 8.310 nan 0.000 0.457 402 I N 0.974 121.521 120.570 -0.038 0.000 2.252 402 I HA -0.205 3.964 4.170 -0.000 0.000 0.245 402 I C 2.581 178.683 176.117 -0.024 0.000 1.102 402 I CA 1.394 62.679 61.300 -0.026 0.000 1.385 402 I CB -0.346 37.642 38.000 -0.020 0.000 1.064 402 I HN 0.359 nan 8.210 nan 0.000 0.414 403 M N 0.195 119.776 119.600 -0.032 0.000 2.080 403 M HA -0.223 4.257 4.480 -0.000 0.000 0.260 403 M C 2.353 178.600 176.300 -0.089 0.000 1.068 403 M CA 2.035 57.324 55.300 -0.018 0.000 1.109 403 M CB -0.431 32.127 32.600 -0.070 0.000 1.342 403 M HN 0.170 nan 8.290 nan 0.000 0.405 404 I N -0.164 120.290 120.570 -0.194 0.000 2.252 404 I HA -0.293 3.876 4.170 -0.000 0.000 0.245 404 I C 2.432 178.466 176.117 -0.137 0.000 1.102 404 I CA 1.397 62.510 61.300 -0.312 0.000 1.385 404 I CB -0.542 37.219 38.000 -0.398 0.000 1.064 404 I HN 0.393 nan 8.210 nan 0.000 0.414 405 Q N 0.058 119.818 119.800 -0.067 0.000 2.234 405 Q HA -0.269 4.071 4.340 -0.000 0.000 0.206 405 Q C 1.306 177.311 176.000 0.008 0.000 0.980 405 Q CA 1.586 57.377 55.803 -0.020 0.000 0.869 405 Q CB -0.184 28.550 28.738 -0.005 0.000 0.912 405 Q HN 0.405 nan 8.270 nan 0.000 0.436 406 D N -0.438 119.979 120.400 0.029 0.000 2.340 406 D HA 0.015 4.655 4.640 -0.000 0.000 0.220 406 D C -0.565 175.839 176.300 0.172 0.000 1.039 406 D CA -0.040 54.016 54.000 0.093 0.000 0.866 406 D CB 0.329 41.186 40.800 0.095 0.000 0.913 406 D HN -0.025 nan 8.370 nan 0.000 0.523 407 L N 0.812 122.095 121.223 0.100 0.000 2.292 407 L HA 0.380 4.720 4.340 -0.000 0.000 0.284 407 L C -0.959 175.914 176.870 0.005 0.000 1.065 407 L CA -0.335 54.553 54.840 0.080 0.000 0.806 407 L CB 1.593 43.680 42.059 0.047 0.000 1.175 407 L HN -0.206 nan 8.230 nan 0.000 0.431 408 D N 5.358 125.737 120.400 -0.035 0.000 2.471 408 D HA 0.422 5.061 4.640 -0.000 0.000 0.245 408 D C -1.081 175.177 176.300 -0.069 0.000 1.116 408 D CA -0.092 53.880 54.000 -0.046 0.000 0.853 408 D CB 0.665 41.446 40.800 -0.032 0.000 1.123 408 D HN 0.450 nan 8.370 nan 0.000 0.540 409 I N 3.121 123.643 120.570 -0.080 0.000 2.474 409 I HA 0.420 4.590 4.170 -0.000 0.000 0.294 409 I C -0.610 175.454 176.117 -0.088 0.000 1.005 409 I CA -1.075 60.163 61.300 -0.102 0.000 1.113 409 I CB 1.862 39.761 38.000 -0.169 0.000 1.289 409 I HN 0.333 nan 8.210 nan 0.000 0.436 410 M N 7.914 127.474 119.600 -0.067 0.000 2.204 410 M HA 0.500 4.979 4.480 -0.000 0.000 0.293 410 M C -1.430 174.851 176.300 -0.032 0.000 0.994 410 M CA -0.414 54.857 55.300 -0.048 0.000 0.925 410 M CB 1.506 34.079 32.600 -0.045 0.000 1.577 410 M HN 0.316 nan 8.290 nan 0.000 0.439 411 M N 5.357 124.941 119.600 -0.026 0.000 2.264 411 M HA 0.541 5.021 4.480 -0.000 0.000 0.352 411 M C -1.342 175.007 176.300 0.082 0.000 1.173 411 M CA -0.716 54.593 55.300 0.015 0.000 1.075 411 M CB 1.037 33.618 32.600 -0.032 0.000 1.621 411 M HN 0.783 nan 8.290 nan 0.000 0.457 412 L N 2.978 124.300 121.223 0.165 0.000 2.376 412 L HA 0.547 4.886 4.340 -0.000 0.000 0.275 412 L C -0.715 176.344 176.870 0.316 0.000 0.987 412 L CA 0.195 55.169 54.840 0.223 0.000 0.828 412 L CB 1.974 44.160 42.059 0.211 0.000 1.249 412 L HN 0.687 nan 8.230 nan 0.000 0.409 413 T N 5.891 120.600 114.554 0.258 0.000 2.832 413 T HA 0.300 4.650 4.350 -0.000 0.000 0.313 413 T C -0.573 174.320 174.700 0.321 0.000 1.035 413 T CA 0.145 62.404 62.100 0.266 0.000 0.950 413 T CB -0.305 68.646 68.868 0.138 0.000 0.984 413 T HN 0.380 nan 8.240 nan 0.000 0.486 414 F N 6.359 126.466 119.950 0.261 0.000 2.439 414 F HA 0.188 4.714 4.527 -0.001 0.000 0.356 414 F C 1.690 177.539 175.800 0.083 0.000 1.161 414 F CA -0.776 57.336 58.000 0.186 0.000 1.151 414 F CB 0.274 39.434 39.000 0.266 0.000 1.222 414 F HN 0.682 nan 8.300 nan 0.000 0.558 415 H N 4.262 123.074 119.070 -0.429 0.000 2.562 415 H HA -0.005 4.550 4.556 -0.001 0.000 0.267 415 H C 1.164 176.201 175.328 -0.485 0.000 0.959 415 H CA 0.791 56.614 56.048 -0.375 0.000 1.204 415 H CB -0.455 29.088 29.762 -0.365 0.000 1.430 415 H HN 0.675 nan 8.280 nan 0.000 0.545 416 H N 1.386 119.613 119.070 -1.404 0.000 2.353 416 H HA -0.048 4.507 4.556 -0.001 0.000 0.298 416 H C 0.343 175.529 175.328 -0.236 0.000 1.103 416 H CA 1.813 57.298 56.048 -0.939 0.000 1.293 416 H CB -0.107 29.018 29.762 -1.062 0.000 1.372 416 H HN 0.473 nan 8.280 nan 0.000 0.501 417 F N -3.013 116.912 119.950 -0.041 0.000 2.842 417 F HA 0.577 5.104 4.527 -0.001 0.000 0.319 417 F C -0.011 175.971 175.800 0.302 0.000 1.159 417 F CA -0.626 57.471 58.000 0.160 0.000 0.902 417 F CB 0.814 39.913 39.000 0.165 0.000 1.311 417 F HN -0.011 nan 8.300 nan 0.000 0.453 418 G N 0.607 109.709 108.800 0.503 0.000 3.356 418 G HA2 0.319 4.279 3.960 -0.000 0.000 0.178 418 G HA3 0.319 4.279 3.960 -0.000 0.000 0.178 418 G C -0.172 174.914 174.900 0.308 0.000 1.130 418 G CA -0.665 44.622 45.100 0.311 0.000 0.800 418 G HN 0.662 nan 8.290 nan 0.000 0.669 419 K N 0.673 121.159 120.400 0.144 0.000 2.283 419 K HA -0.055 4.264 4.320 -0.000 0.000 0.202 419 K C 2.102 178.734 176.600 0.052 0.000 1.048 419 K CA 1.529 57.865 56.287 0.081 0.000 0.948 419 K CB -0.046 32.480 32.500 0.044 0.000 0.742 419 K HN 0.519 nan 8.250 nan 0.000 0.458 420 D N 1.112 121.571 120.400 0.097 0.000 2.106 420 D HA -0.260 4.380 4.640 -0.000 0.000 0.191 420 D C 1.757 178.057 176.300 -0.000 0.000 0.997 420 D CA 1.276 55.313 54.000 0.062 0.000 0.834 420 D CB -0.717 40.148 40.800 0.107 0.000 0.956 420 D HN 0.178 nan 8.370 nan 0.000 0.448 421 F N 2.002 121.869 119.950 -0.139 0.000 2.075 421 F HA 0.033 4.560 4.527 0.000 0.000 0.297 421 F C -0.894 174.673 175.800 -0.387 0.000 1.113 421 F CA 0.644 58.425 58.000 -0.363 0.000 1.218 421 F CB -1.319 37.162 39.000 -0.865 0.000 0.984 421 F HN -0.007 nan 8.300 nan 0.000 0.472 422 P HA -0.194 nan 4.420 nan 0.000 0.215 422 P C 1.362 178.417 177.300 -0.409 0.000 1.153 422 P CA 2.289 64.980 63.100 -0.681 0.000 0.853 422 P CB -0.129 31.293 31.700 -0.463 0.000 0.788 423 K N -0.137 120.110 120.400 -0.255 0.000 2.063 423 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 423 K C 2.265 178.753 176.600 -0.187 0.000 1.048 423 K CA 1.999 58.191 56.287 -0.158 0.000 0.928 423 K CB -0.650 31.799 32.500 -0.084 0.000 0.713 423 K HN 0.227 nan 8.250 nan 0.000 0.442 424 S N 0.972 116.523 115.700 -0.248 0.000 2.469 424 S HA -0.089 4.380 4.470 -0.000 0.000 0.238 424 S C 1.400 175.841 174.600 -0.266 0.000 0.998 424 S CA 0.913 58.983 58.200 -0.217 0.000 0.957 424 S CB -0.001 63.084 63.200 -0.192 0.000 0.764 424 S HN 0.182 nan 8.310 nan 0.000 0.514 425 E N 0.850 120.811 120.200 -0.398 0.000 2.463 425 E HA 0.152 4.502 4.350 -0.000 0.000 0.193 425 E C -0.191 176.302 176.600 -0.179 0.000 1.041 425 E CA -0.069 56.135 56.400 -0.327 0.000 0.879 425 E CB 0.098 29.500 29.700 -0.497 0.000 0.997 425 E HN 0.373 nan 8.360 nan 0.000 0.478 426 K N 0.162 120.474 120.400 -0.147 0.000 3.117 426 K HA -0.181 4.139 4.320 -0.000 0.000 0.269 426 K C -0.331 176.234 176.600 -0.058 0.000 1.098 426 K CA 0.559 56.798 56.287 -0.080 0.000 0.785 426 K CB -2.068 30.400 32.500 -0.054 0.000 1.242 426 K HN 0.224 nan 8.250 nan 0.000 0.491 427 L N 0.013 121.192 121.223 -0.075 0.000 2.381 427 L HA 0.312 4.652 4.340 -0.000 0.000 0.268 427 L C 0.719 177.596 176.870 0.012 0.000 0.997 427 L CA -0.849 53.987 54.840 -0.008 0.000 0.818 427 L CB 2.023 44.107 42.059 0.042 0.000 1.310 427 L HN 0.066 nan 8.230 nan 0.000 0.416 428 S N 2.505 118.243 115.700 0.064 0.000 2.498 428 S HA 0.157 4.627 4.470 -0.000 0.000 0.281 428 S C -1.675 172.998 174.600 0.120 0.000 1.265 428 S CA -0.926 57.324 58.200 0.084 0.000 1.071 428 S CB 0.902 64.169 63.200 0.111 0.000 0.894 428 S HN 0.368 nan 8.310 nan 0.000 0.491 429 P HA -0.092 nan 4.420 nan 0.000 0.215 429 P C 0.988 178.402 177.300 0.190 0.000 1.157 429 P CA 1.075 64.243 63.100 0.113 0.000 0.868 429 P CB 0.082 31.827 31.700 0.075 0.000 0.788 430 D N -0.816 119.691 120.400 0.179 0.000 2.117 430 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 430 D C 1.881 178.258 176.300 0.128 0.000 0.987 430 D CA 1.434 55.564 54.000 0.216 0.000 0.829 430 D CB -0.610 40.325 40.800 0.224 0.000 0.961 430 D HN -0.028 nan 8.370 nan 0.000 0.460 431 A N -0.644 122.245 122.820 0.116 0.000 1.930 431 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 431 A C 2.115 179.671 177.584 -0.048 0.000 1.175 431 A CA 0.947 52.965 52.037 -0.031 0.000 0.627 431 A CB -1.077 18.016 19.000 0.155 0.000 0.815 431 A HN 0.409 nan 8.150 nan 0.000 0.443 432 F N 0.749 120.671 119.950 -0.046 0.000 2.102 432 F HA -0.164 4.363 4.527 -0.001 0.000 0.298 432 F C 1.966 177.749 175.800 -0.028 0.000 1.105 432 F CA 1.839 59.827 58.000 -0.019 0.000 1.239 432 F CB -0.209 38.822 39.000 0.052 0.000 0.991 432 F HN 0.180 nan 8.300 nan 0.000 0.474 433 I N -0.071 120.648 120.570 0.249 0.000 2.226 433 I HA -0.302 3.867 4.170 -0.000 0.000 0.245 433 I C 2.416 178.473 176.117 -0.099 0.000 1.100 433 I CA 1.060 62.397 61.300 0.063 0.000 1.374 433 I CB -0.614 37.335 38.000 -0.085 0.000 1.057 433 I HN 0.217 nan 8.210 nan 0.000 0.413 434 Q N 0.259 119.969 119.800 -0.150 0.000 2.124 434 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 434 Q C 2.516 178.418 176.000 -0.164 0.000 0.977 434 Q CA 1.358 57.042 55.803 -0.197 0.000 0.850 434 Q CB -0.394 28.047 28.738 -0.496 0.000 0.901 434 Q HN 0.408 nan 8.270 nan 0.000 0.429 435 V N 1.110 120.902 119.914 -0.203 0.000 2.427 435 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 435 V C 2.368 178.442 176.094 -0.033 0.000 1.051 435 V CA 1.589 63.824 62.300 -0.108 0.000 1.048 435 V CB -0.961 30.736 31.823 -0.210 0.000 0.666 435 V HN 0.303 nan 8.190 nan 0.000 0.456 436 A N -0.128 122.620 122.820 -0.119 0.000 1.933 436 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 436 A C 2.146 179.718 177.584 -0.021 0.000 1.175 436 A CA 1.979 53.974 52.037 -0.070 0.000 0.628 436 A CB -0.534 18.398 19.000 -0.115 0.000 0.814 436 A HN 0.449 nan 8.150 nan 0.000 0.444 437 L N -0.537 120.660 121.223 -0.044 0.000 2.083 437 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 437 L C 2.350 179.271 176.870 0.085 0.000 1.083 437 L CA 1.997 56.830 54.840 -0.012 0.000 0.752 437 L CB -0.638 41.409 42.059 -0.020 0.000 0.899 437 L HN 0.351 nan 8.230 nan 0.000 0.433 438 Q N -0.764 119.091 119.800 0.092 0.000 2.084 438 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 438 Q C 2.251 178.373 176.000 0.204 0.000 0.978 438 Q CA 1.629 57.524 55.803 0.153 0.000 0.844 438 Q CB -0.683 28.132 28.738 0.128 0.000 0.898 438 Q HN 0.480 nan 8.270 nan 0.000 0.426 439 L N 0.716 122.033 121.223 0.158 0.000 2.046 439 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 439 L C 2.123 179.099 176.870 0.177 0.000 1.077 439 L CA 2.144 57.061 54.840 0.128 0.000 0.747 439 L CB -0.961 41.156 42.059 0.098 0.000 0.896 439 L HN 0.114 nan 8.230 nan 0.000 0.432 440 A N -1.437 121.475 122.820 0.154 0.000 1.877 440 A HA -0.292 4.028 4.320 -0.000 0.000 0.216 440 A C 2.336 179.999 177.584 0.132 0.000 1.186 440 A CA 1.873 54.009 52.037 0.165 0.000 0.620 440 A CB -1.268 17.791 19.000 0.098 0.000 0.822 440 A HN 0.618 nan 8.150 nan 0.000 0.443 441 Y N -1.665 118.682 120.300 0.080 0.000 2.181 441 Y HA -0.261 4.290 4.550 0.001 0.000 0.288 441 Y C 2.278 178.296 175.900 0.198 0.000 1.146 441 Y CA 2.217 60.404 58.100 0.146 0.000 1.164 441 Y CB -0.425 38.124 38.460 0.148 0.000 0.982 441 Y HN 0.442 nan 8.280 nan 0.000 0.515 442 Y N 0.786 121.235 120.300 0.249 0.000 2.200 442 Y HA -0.198 4.353 4.550 0.001 0.000 0.290 442 Y C 2.425 178.342 175.900 0.029 0.000 1.137 442 Y CA 1.745 59.940 58.100 0.157 0.000 1.163 442 Y CB -0.323 38.200 38.460 0.105 0.000 0.988 442 Y HN -0.013 nan 8.280 nan 0.000 0.518 443 R N -0.264 120.289 120.500 0.088 0.000 2.120 443 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 443 R C 2.128 178.305 176.300 -0.204 0.000 1.123 443 R CA 1.880 57.997 56.100 0.028 0.000 0.975 443 R CB -0.319 30.130 30.300 0.249 0.000 0.866 443 R HN 0.419 nan 8.270 nan 0.000 0.446 444 I N -1.329 118.954 120.570 -0.479 0.000 2.339 444 I HA -0.188 3.981 4.170 -0.000 0.000 0.245 444 I C 1.316 176.908 176.117 -0.875 0.000 1.096 444 I CA 1.192 61.961 61.300 -0.886 0.000 1.408 444 I CB -0.009 37.234 38.000 -1.262 0.000 1.092 444 I HN 0.108 nan 8.210 nan 0.000 0.423 445 Y N 0.346 120.370 120.300 -0.459 0.000 2.497 445 Y HA 0.278 4.829 4.550 0.001 0.000 0.265 445 Y C 1.845 177.561 175.900 -0.306 0.000 1.111 445 Y CA 0.457 58.344 58.100 -0.355 0.000 1.288 445 Y CB 0.228 38.452 38.460 -0.394 0.000 1.082 445 Y HN 0.261 nan 8.280 nan 0.000 0.536 446 G N 0.924 109.480 108.800 -0.407 0.000 2.143 446 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 446 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 446 G C -0.099 174.530 174.900 -0.452 0.000 0.991 446 G CA 0.474 45.194 45.100 -0.633 0.000 0.689 446 G HN 0.489 nan 8.290 nan 0.000 0.522 447 Q N -1.906 117.814 119.800 -0.133 0.000 2.647 447 Q HA 0.759 5.099 4.340 -0.000 0.000 0.283 447 Q C -0.339 175.939 176.000 0.464 0.000 0.943 447 Q CA -0.522 55.443 55.803 0.270 0.000 0.813 447 Q CB 0.749 29.601 28.738 0.189 0.000 1.477 447 Q HN 1.394 nan 8.270 nan 0.000 0.393 448 A N 0.503 123.566 122.820 0.404 0.000 2.259 448 A HA 0.837 5.157 4.320 -0.000 0.000 0.278 448 A C 0.115 177.784 177.584 0.143 0.000 1.107 448 A CA 0.134 52.346 52.037 0.292 0.000 0.828 448 A CB 0.555 19.669 19.000 0.190 0.000 1.111 448 A HN 1.214 nan 8.150 nan 0.000 0.498 449 C N -1.883 117.373 119.300 -0.073 0.000 2.994 449 C HA 0.839 5.299 4.460 -0.000 0.000 0.305 449 C C 0.378 175.336 174.990 -0.052 0.000 1.251 449 C CA -0.507 58.434 59.018 -0.127 0.000 1.478 449 C CB 0.605 28.085 27.740 -0.432 0.000 1.922 449 C HN 1.788 nan 8.230 nan 0.000 0.472 450 A N 2.381 125.218 122.820 0.029 0.000 2.561 450 A HA 0.507 4.827 4.320 -0.000 0.000 0.251 450 A C 0.454 178.212 177.584 0.289 0.000 1.062 450 A CA 0.799 52.910 52.037 0.124 0.000 0.761 450 A CB -0.485 18.491 19.000 -0.040 0.000 0.986 450 A HN 1.060 nan 8.150 nan 0.000 0.510 451 T N 2.429 117.192 114.554 0.348 0.000 2.841 451 T HA 0.491 4.841 4.350 -0.000 0.000 0.283 451 T C -1.013 173.799 174.700 0.186 0.000 1.000 451 T CA -0.080 62.189 62.100 0.281 0.000 0.977 451 T CB 1.008 69.939 68.868 0.105 0.000 0.979 451 T HN 0.521 nan 8.240 nan 0.000 0.446 452 Y N 1.984 122.138 120.300 -0.243 0.000 2.352 452 Y HA 0.579 5.128 4.550 -0.001 0.000 0.339 452 Y C -0.147 175.598 175.900 -0.260 0.000 0.992 452 Y CA -0.672 57.058 58.100 -0.615 0.000 1.100 452 Y CB 1.094 38.738 38.460 -1.360 0.000 1.192 452 Y HN 0.654 nan 8.280 nan 0.000 0.458 453 E N 4.106 124.096 120.200 -0.350 0.000 2.263 453 E HA 0.337 4.687 4.350 -0.000 0.000 0.268 453 E C -1.279 175.133 176.600 -0.313 0.000 0.884 453 E CA -0.730 55.612 56.400 -0.097 0.000 0.766 453 E CB 1.480 31.184 29.700 0.006 0.000 1.196 453 E HN 0.718 nan 8.360 nan 0.000 0.416 454 S N 1.744 117.428 115.700 -0.027 0.000 2.560 454 S HA 0.376 4.846 4.470 -0.000 0.000 0.284 454 S C -0.344 174.199 174.600 -0.096 0.000 1.327 454 S CA -0.012 58.169 58.200 -0.031 0.000 1.055 454 S CB 1.033 64.304 63.200 0.118 0.000 0.868 454 S HN 0.544 nan 8.310 nan 0.000 0.506 455 A N 2.434 125.176 122.820 -0.130 0.000 2.359 455 A HA 0.644 4.963 4.320 -0.000 0.000 0.303 455 A C -0.070 177.478 177.584 -0.061 0.000 1.066 455 A CA -0.646 51.336 52.037 -0.092 0.000 0.730 455 A CB 1.401 20.328 19.000 -0.123 0.000 1.211 455 A HN 0.633 nan 8.150 nan 0.000 0.439 456 S N 1.793 117.480 115.700 -0.022 0.000 2.499 456 S HA 0.421 4.891 4.470 -0.000 0.000 0.275 456 S C 0.343 174.951 174.600 0.013 0.000 1.257 456 S CA -0.399 57.797 58.200 -0.008 0.000 1.050 456 S CB -0.068 63.134 63.200 0.004 0.000 0.937 456 S HN 0.596 nan 8.310 nan 0.000 0.490 457 L N 5.580 126.815 121.223 0.020 0.000 2.791 457 L HA 0.320 4.660 4.340 -0.000 0.000 0.239 457 L C 1.948 178.898 176.870 0.133 0.000 1.203 457 L CA -0.101 54.809 54.840 0.116 0.000 1.002 457 L CB -0.091 42.004 42.059 0.060 0.000 1.295 457 L HN 0.666 nan 8.230 nan 0.000 0.504 458 R N 0.740 121.268 120.500 0.047 0.000 2.293 458 R HA -0.128 4.211 4.340 -0.000 0.000 0.219 458 R C 2.104 178.385 176.300 -0.033 0.000 1.091 458 R CA 1.065 57.180 56.100 0.025 0.000 1.004 458 R CB -0.211 30.101 30.300 0.021 0.000 0.865 458 R HN 0.526 nan 8.270 nan 0.000 0.469 459 M N -1.526 117.985 119.600 -0.148 0.000 2.659 459 M HA 0.114 4.593 4.480 -0.000 0.000 0.243 459 M C -0.460 175.501 176.300 -0.564 0.000 1.111 459 M CA 1.143 56.228 55.300 -0.359 0.000 1.070 459 M CB 0.219 32.525 32.600 -0.490 0.000 1.525 459 M HN -0.226 nan 8.290 nan 0.000 0.517 460 F N 0.027 119.987 119.950 0.017 0.000 2.522 460 F HA 0.381 4.907 4.527 -0.001 0.000 0.324 460 F C 0.635 176.460 175.800 0.040 0.000 1.077 460 F CA -1.231 56.784 58.000 0.026 0.000 0.944 460 F CB 0.631 39.635 39.000 0.008 0.000 1.175 460 F HN -0.001 nan 8.300 nan 0.000 0.468 461 H N 4.219 123.368 119.070 0.131 0.000 3.107 461 H HA 0.056 4.612 4.556 -0.000 0.000 0.301 461 H C 0.710 176.061 175.328 0.038 0.000 0.981 461 H CA 0.556 56.628 56.048 0.039 0.000 1.443 461 H CB 0.325 30.100 29.762 0.021 0.000 1.479 461 H HN 0.849 nan 8.280 nan 0.000 0.564 462 L N 2.934 124.008 121.223 -0.247 0.000 4.625 462 L HA -0.228 4.112 4.340 -0.000 0.000 0.428 462 L C 0.990 177.798 176.870 -0.103 0.000 1.129 462 L CA 0.613 55.305 54.840 -0.245 0.000 0.978 462 L CB -1.847 39.965 42.059 -0.411 0.000 2.043 462 L HN 0.776 nan 8.230 nan 0.000 0.847 463 G N -0.052 108.734 108.800 -0.024 0.000 2.398 463 G HA2 0.355 4.315 3.960 -0.000 0.000 0.246 463 G HA3 0.355 4.315 3.960 -0.000 0.000 0.246 463 G C 0.792 175.678 174.900 -0.024 0.000 1.289 463 G CA -0.270 44.823 45.100 -0.012 0.000 0.869 463 G HN 0.113 nan 8.290 nan 0.000 0.543 464 R N 0.491 120.949 120.500 -0.071 0.000 1.776 464 R HA 0.360 4.700 4.340 -0.000 0.000 0.146 464 R C 1.026 177.274 176.300 -0.087 0.000 2.057 464 R CA 0.999 57.079 56.100 -0.035 0.000 1.641 464 R CB -0.605 29.714 30.300 0.032 0.000 1.256 464 R HN 0.693 nan 8.270 nan 0.000 0.478 465 T N -1.365 113.043 114.554 -0.244 0.000 2.841 465 T HA 0.549 4.898 4.350 -0.000 0.000 0.296 465 T C -0.987 173.455 174.700 -0.430 0.000 1.166 465 T CA -0.830 61.119 62.100 -0.251 0.000 1.007 465 T CB 2.889 71.681 68.868 -0.126 0.000 1.253 465 T HN 0.083 nan 8.240 nan 0.000 0.511 466 D N -0.831 119.379 120.400 -0.317 0.000 2.652 466 D HA 0.546 5.186 4.640 -0.000 0.000 0.285 466 D C -1.080 174.986 176.300 -0.390 0.000 1.173 466 D CA -0.261 53.535 54.000 -0.340 0.000 0.981 466 D CB 2.589 43.263 40.800 -0.211 0.000 1.440 466 D HN 0.673 nan 8.370 nan 0.000 0.485 467 T N 1.027 115.324 114.554 -0.430 0.000 2.794 467 T HA 0.545 4.895 4.350 -0.000 0.000 0.280 467 T C 0.186 174.577 174.700 -0.514 0.000 0.987 467 T CA -0.397 61.298 62.100 -0.676 0.000 0.993 467 T CB 0.612 69.084 68.868 -0.661 0.000 0.939 467 T HN 0.159 nan 8.240 nan 0.000 0.449 468 I N 3.368 123.563 120.570 -0.625 0.000 2.321 468 I HA 0.351 4.520 4.170 -0.000 0.000 0.291 468 I C 0.562 176.214 176.117 -0.774 0.000 0.998 468 I CA -0.660 60.184 61.300 -0.759 0.000 1.227 468 I CB 1.081 38.745 38.000 -0.559 0.000 1.368 468 I HN 0.322 nan 8.210 nan 0.000 0.466 469 R N 4.263 124.155 120.500 -1.013 0.000 2.198 469 R HA 0.256 4.596 4.340 -0.000 0.000 0.339 469 R C 0.737 176.849 176.300 -0.314 0.000 1.020 469 R CA -0.215 55.649 56.100 -0.394 0.000 0.864 469 R CB 1.045 31.337 30.300 -0.012 0.000 1.105 469 R HN 0.619 nan 8.270 nan 0.000 0.463 470 S N 1.651 117.305 115.700 -0.076 0.000 2.461 470 S HA -0.026 4.444 4.470 -0.000 0.000 0.228 470 S C 0.866 175.540 174.600 0.124 0.000 1.005 470 S CA 0.336 58.602 58.200 0.110 0.000 0.942 470 S CB 0.382 63.673 63.200 0.150 0.000 0.776 470 S HN 0.681 nan 8.310 nan 0.000 0.514 471 A N 2.516 125.400 122.820 0.107 0.000 2.343 471 A HA 0.599 4.919 4.320 -0.000 0.000 0.305 471 A C 0.491 178.164 177.584 0.149 0.000 1.308 471 A CA -0.551 51.558 52.037 0.119 0.000 0.949 471 A CB 0.095 19.160 19.000 0.109 0.000 1.148 471 A HN 0.346 nan 8.150 nan 0.000 0.545 472 S N 1.894 117.682 115.700 0.146 0.000 2.740 472 S HA 0.616 5.085 4.470 -0.000 0.000 0.300 472 S C 0.831 175.502 174.600 0.118 0.000 1.147 472 S CA -0.655 57.643 58.200 0.163 0.000 0.871 472 S CB 0.543 63.859 63.200 0.193 0.000 1.173 472 S HN 0.400 nan 8.310 nan 0.000 0.510 473 I N 0.956 121.590 120.570 0.108 0.000 2.226 473 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 473 I C 1.678 177.831 176.117 0.060 0.000 1.100 473 I CA 1.480 62.818 61.300 0.062 0.000 1.374 473 I CB -0.323 37.706 38.000 0.048 0.000 1.057 473 I HN 0.663 nan 8.210 nan 0.000 0.413 474 D N 0.151 120.601 120.400 0.083 0.000 2.183 474 D HA -0.112 4.527 4.640 -0.000 0.000 0.203 474 D C 2.372 178.736 176.300 0.107 0.000 0.969 474 D CA 1.672 55.721 54.000 0.082 0.000 0.842 474 D CB -0.030 40.818 40.800 0.081 0.000 0.957 474 D HN 0.364 nan 8.370 nan 0.000 0.484 475 S N 0.791 116.562 115.700 0.119 0.000 2.368 475 S HA -0.124 4.345 4.470 -0.000 0.000 0.224 475 S C 2.072 176.735 174.600 0.104 0.000 1.029 475 S CA 0.388 58.678 58.200 0.151 0.000 0.988 475 S CB -0.498 62.786 63.200 0.140 0.000 0.838 475 S HN 0.134 nan 8.310 nan 0.000 0.462 476 L N 2.149 123.396 121.223 0.040 0.000 2.093 476 L HA 0.209 4.549 4.340 -0.000 0.000 0.208 476 L C 2.688 179.491 176.870 -0.112 0.000 1.085 476 L CA 1.595 56.398 54.840 -0.061 0.000 0.755 476 L CB -1.226 40.819 42.059 -0.022 0.000 0.904 476 L HN 0.381 nan 8.230 nan 0.000 0.435 477 A N -0.913 121.894 122.820 -0.022 0.000 1.902 477 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 477 A C 2.229 179.809 177.584 -0.008 0.000 1.181 477 A CA 1.822 53.847 52.037 -0.019 0.000 0.623 477 A CB -1.098 17.916 19.000 0.023 0.000 0.818 477 A HN 0.549 nan 8.150 nan 0.000 0.443 478 F N 1.442 121.339 119.950 -0.088 0.000 2.084 478 F HA -0.160 4.367 4.527 0.000 0.000 0.296 478 F C 2.333 178.060 175.800 -0.120 0.000 1.111 478 F CA 2.108 60.057 58.000 -0.085 0.000 1.224 478 F CB -0.714 38.247 39.000 -0.065 0.000 0.991 478 F HN 0.126 nan 8.300 nan 0.000 0.471 479 V N -0.820 118.757 119.914 -0.561 0.000 2.392 479 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 479 V C 2.260 177.959 176.094 -0.658 0.000 1.059 479 V CA 2.159 64.030 62.300 -0.715 0.000 1.051 479 V CB -1.159 30.356 31.823 -0.513 0.000 0.658 479 V HN 0.366 nan 8.190 nan 0.000 0.455 480 K N 1.249 121.285 120.400 -0.606 0.000 2.001 480 K HA 0.032 4.352 4.320 -0.000 0.000 0.208 480 K C 2.401 178.875 176.600 -0.210 0.000 1.048 480 K CA 1.502 57.555 56.287 -0.391 0.000 0.932 480 K CB -0.877 31.462 32.500 -0.269 0.000 0.715 480 K HN 0.585 nan 8.250 nan 0.000 0.437 481 G N 1.433 110.114 108.800 -0.198 0.000 2.422 481 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.218 481 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.218 481 G C 1.471 176.286 174.900 -0.142 0.000 1.146 481 G CA 0.859 45.888 45.100 -0.118 0.000 0.769 481 G HN 0.152 nan 8.290 nan 0.000 0.547 482 M N 1.555 120.974 119.600 -0.302 0.000 2.149 482 M HA 0.054 4.534 4.480 -0.000 0.000 0.261 482 M C 2.141 178.359 176.300 -0.137 0.000 1.064 482 M CA 1.790 56.917 55.300 -0.289 0.000 1.102 482 M CB -0.474 31.741 32.600 -0.641 0.000 1.369 482 M HN 0.094 nan 8.290 nan 0.000 0.408 483 G N -0.897 107.837 108.800 -0.110 0.000 3.337 483 G HA2 0.021 3.980 3.960 -0.000 0.000 0.246 483 G HA3 0.021 3.980 3.960 -0.000 0.000 0.246 483 G C -0.299 174.598 174.900 -0.006 0.000 1.131 483 G CA -0.269 44.815 45.100 -0.026 0.000 0.773 483 G HN 0.417 nan 8.290 nan 0.000 0.544 484 D N 0.950 121.337 120.400 -0.023 0.000 2.365 484 D HA 0.183 4.823 4.640 -0.000 0.000 0.237 484 D C 1.021 177.320 176.300 -0.003 0.000 1.190 484 D CA -0.158 53.838 54.000 -0.007 0.000 0.867 484 D CB 1.102 41.892 40.800 -0.016 0.000 1.050 484 D HN -0.016 nan 8.370 nan 0.000 0.491 485 S N 1.976 117.679 115.700 0.004 0.000 2.571 485 S HA -0.125 4.345 4.470 -0.000 0.000 0.245 485 S C 1.681 176.285 174.600 0.006 0.000 0.976 485 S CA 1.147 59.351 58.200 0.006 0.000 0.954 485 S CB -0.080 63.124 63.200 0.007 0.000 0.756 485 S HN 0.728 nan 8.310 nan 0.000 0.535 486 T N -2.390 112.167 114.554 0.004 0.000 3.040 486 T HA 0.296 4.646 4.350 -0.000 0.000 0.266 486 T C 0.192 174.893 174.700 0.003 0.000 1.005 486 T CA -0.250 61.853 62.100 0.005 0.000 0.906 486 T CB 0.059 68.929 68.868 0.004 0.000 1.082 486 T HN 0.009 nan 8.240 nan 0.000 0.531 487 V N 3.786 123.700 119.914 -0.000 0.000 2.383 487 V HA 0.421 4.540 4.120 -0.000 0.000 0.275 487 V C -2.305 173.789 176.094 -0.000 0.000 1.036 487 V CA -2.158 60.141 62.300 -0.002 0.000 0.889 487 V CB 1.059 32.877 31.823 -0.008 0.000 0.985 487 V HN 0.245 nan 8.190 nan 0.000 0.459 488 P HA 0.032 nan 4.420 nan 0.000 0.266 488 P C 0.871 178.156 177.300 -0.024 0.000 1.193 488 P CA 0.185 63.282 63.100 -0.004 0.000 0.770 488 P CB 0.784 32.479 31.700 -0.008 0.000 0.836 489 E N 0.933 121.118 120.200 -0.025 0.000 2.106 489 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 489 E C 1.605 178.015 176.600 -0.318 0.000 0.984 489 E CA 1.177 57.529 56.400 -0.081 0.000 0.806 489 E CB 0.017 29.769 29.700 0.087 0.000 0.750 489 E HN 0.456 nan 8.360 nan 0.000 0.458 490 Q N 0.181 119.786 119.800 -0.325 0.000 2.135 490 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 490 Q C 1.903 177.804 176.000 -0.166 0.000 0.981 490 Q CA 1.445 57.052 55.803 -0.328 0.000 0.856 490 Q CB -0.178 28.480 28.738 -0.132 0.000 0.902 490 Q HN 0.106 nan 8.270 nan 0.000 0.425 491 Q N 0.612 120.358 119.800 -0.091 0.000 2.137 491 Q HA -0.043 4.297 4.340 -0.000 0.000 0.198 491 Q C 1.445 177.442 176.000 -0.005 0.000 0.960 491 Q CA 1.432 57.213 55.803 -0.035 0.000 0.847 491 Q CB 0.110 28.839 28.738 -0.015 0.000 0.915 491 Q HN 0.272 nan 8.270 nan 0.000 0.448 492 K N -0.704 119.695 120.400 -0.002 0.000 2.113 492 K HA -0.126 4.193 4.320 -0.000 0.000 0.208 492 K C 1.924 178.594 176.600 0.117 0.000 1.047 492 K CA 1.581 57.920 56.287 0.087 0.000 0.928 492 K CB -0.173 32.373 32.500 0.076 0.000 0.716 492 K HN 0.088 nan 8.250 nan 0.000 0.446 493 V N 1.626 121.540 119.914 0.001 0.000 2.427 493 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 493 V C 1.988 178.067 176.094 -0.024 0.000 1.051 493 V CA 1.676 63.969 62.300 -0.010 0.000 1.048 493 V CB -0.427 31.360 31.823 -0.061 0.000 0.666 493 V HN 0.321 nan 8.190 nan 0.000 0.456 494 E N 0.196 120.383 120.200 -0.021 0.000 2.051 494 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 494 E C 2.255 178.849 176.600 -0.011 0.000 0.991 494 E CA 1.274 57.664 56.400 -0.015 0.000 0.799 494 E CB -0.218 29.477 29.700 -0.009 0.000 0.748 494 E HN 0.488 nan 8.360 nan 0.000 0.449 495 L N 0.900 122.143 121.223 0.034 0.000 2.083 495 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 495 L C 2.590 179.424 176.870 -0.060 0.000 1.083 495 L CA 0.670 55.555 54.840 0.076 0.000 0.752 495 L CB -0.320 41.866 42.059 0.212 0.000 0.899 495 L HN 0.224 nan 8.230 nan 0.000 0.433 496 L N -0.312 120.774 121.223 -0.228 0.000 2.027 496 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 496 L C 2.961 179.576 176.870 -0.425 0.000 1.074 496 L CA 1.385 55.748 54.840 -0.796 0.000 0.745 496 L CB -0.213 41.454 42.059 -0.653 0.000 0.898 496 L HN 0.172 nan 8.230 nan 0.000 0.433 497 R N -0.144 120.236 120.500 -0.200 0.000 2.096 497 R HA -0.219 4.120 4.340 -0.000 0.000 0.235 497 R C 2.324 178.576 176.300 -0.080 0.000 1.127 497 R CA 1.633 57.667 56.100 -0.109 0.000 0.968 497 R CB -0.324 29.945 30.300 -0.051 0.000 0.861 497 R HN 0.391 nan 8.270 nan 0.000 0.440 498 K N 0.704 121.063 120.400 -0.067 0.000 2.057 498 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 498 K C 2.080 178.669 176.600 -0.017 0.000 1.050 498 K CA 1.235 57.509 56.287 -0.023 0.000 0.935 498 K CB -0.042 32.458 32.500 -0.000 0.000 0.715 498 K HN 0.134 nan 8.250 nan 0.000 0.439 499 A N 0.484 123.263 122.820 -0.068 0.000 1.902 499 A HA -0.103 4.216 4.320 -0.000 0.000 0.217 499 A C 2.203 179.776 177.584 -0.018 0.000 1.181 499 A CA 1.538 53.552 52.037 -0.039 0.000 0.623 499 A CB -0.576 18.358 19.000 -0.110 0.000 0.818 499 A HN 0.162 nan 8.150 nan 0.000 0.443 500 V N 0.025 119.886 119.914 -0.089 0.000 2.307 500 V HA -0.234 3.885 4.120 -0.000 0.000 0.245 500 V C 2.734 178.867 176.094 0.065 0.000 1.045 500 V CA 1.971 64.257 62.300 -0.023 0.000 1.024 500 V CB -0.727 31.066 31.823 -0.051 0.000 0.651 500 V HN 0.531 nan 8.190 nan 0.000 0.449 501 Q N 0.053 119.875 119.800 0.038 0.000 2.124 501 Q HA -0.120 4.219 4.340 -0.000 0.000 0.202 501 Q C 2.421 178.471 176.000 0.082 0.000 0.977 501 Q CA 1.905 57.742 55.803 0.056 0.000 0.850 501 Q CB -0.836 27.922 28.738 0.033 0.000 0.901 501 Q HN 0.642 nan 8.270 nan 0.000 0.429 502 A N 0.765 123.637 122.820 0.087 0.000 1.933 502 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 502 A C 2.048 179.722 177.584 0.149 0.000 1.175 502 A CA 1.684 53.787 52.037 0.109 0.000 0.628 502 A CB -0.781 18.286 19.000 0.111 0.000 0.814 502 A HN 0.438 nan 8.150 nan 0.000 0.444 503 H N -0.394 118.722 119.070 0.078 0.000 2.395 503 H HA -0.018 4.537 4.556 -0.000 0.000 0.299 503 H C 2.244 177.625 175.328 0.088 0.000 1.070 503 H CA 1.615 57.711 56.048 0.080 0.000 1.356 503 H CB -0.087 29.697 29.762 0.037 0.000 1.401 503 H HN 0.534 nan 8.280 nan 0.000 0.524 504 R N 0.241 120.857 120.500 0.193 0.000 2.092 504 R HA -0.050 4.290 4.340 -0.000 0.000 0.231 504 R C 2.435 178.780 176.300 0.075 0.000 1.119 504 R CA 1.090 57.274 56.100 0.140 0.000 0.970 504 R CB -0.143 30.230 30.300 0.121 0.000 0.864 504 R HN 0.282 nan 8.270 nan 0.000 0.440 505 A N 0.017 122.879 122.820 0.070 0.000 1.877 505 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 505 A C 2.036 179.638 177.584 0.029 0.000 1.186 505 A CA 1.306 53.370 52.037 0.044 0.000 0.620 505 A CB -0.955 18.070 19.000 0.040 0.000 0.822 505 A HN 0.606 nan 8.150 nan 0.000 0.443 506 Y N 0.769 120.992 120.300 -0.128 0.000 2.181 506 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 506 Y C 2.807 178.588 175.900 -0.198 0.000 1.146 506 Y CA 1.816 59.796 58.100 -0.199 0.000 1.164 506 Y CB -0.149 38.160 38.460 -0.251 0.000 0.982 506 Y HN 0.357 nan 8.280 nan 0.000 0.515 507 T N 0.008 114.579 114.554 0.028 0.000 2.708 507 T HA -0.199 4.150 4.350 -0.000 0.000 0.266 507 T C 1.231 175.952 174.700 0.036 0.000 1.037 507 T CA 1.649 63.743 62.100 -0.011 0.000 1.146 507 T CB -0.373 68.494 68.868 -0.001 0.000 0.865 507 T HN 0.385 nan 8.240 nan 0.000 0.435 508 D N 0.727 121.151 120.400 0.041 0.000 2.144 508 D HA -0.022 4.617 4.640 -0.000 0.000 0.199 508 D C 2.393 178.718 176.300 0.042 0.000 0.984 508 D CA 0.813 54.838 54.000 0.042 0.000 0.834 508 D CB -0.175 40.650 40.800 0.041 0.000 0.955 508 D HN 0.331 nan 8.370 nan 0.000 0.465 509 R N 0.539 121.050 120.500 0.018 0.000 2.073 509 R HA 0.032 4.372 4.340 -0.000 0.000 0.229 509 R C 2.278 178.596 176.300 0.031 0.000 1.120 509 R CA 1.018 57.116 56.100 -0.003 0.000 0.967 509 R CB -0.188 30.028 30.300 -0.140 0.000 0.862 509 R HN 0.075 nan 8.270 nan 0.000 0.436 510 A N 1.356 124.204 122.820 0.047 0.000 1.902 510 A HA -0.120 4.199 4.320 -0.000 0.000 0.217 510 A C 2.081 179.701 177.584 0.060 0.000 1.181 510 A CA 1.162 53.228 52.037 0.048 0.000 0.623 510 A CB -0.450 18.572 19.000 0.037 0.000 0.818 510 A HN 0.182 nan 8.150 nan 0.000 0.443 511 I N -1.204 119.405 120.570 0.065 0.000 2.756 511 I HA -0.141 4.029 4.170 -0.000 0.000 0.262 511 I C 1.954 178.171 176.117 0.166 0.000 1.225 511 I CA 0.827 62.178 61.300 0.084 0.000 1.472 511 I CB -0.168 37.861 38.000 0.048 0.000 1.094 511 I HN 0.245 nan 8.210 nan 0.000 0.454 512 R N 0.648 121.259 120.500 0.186 0.000 2.388 512 R HA 0.196 4.536 4.340 -0.000 0.000 0.247 512 R C 1.074 177.614 176.300 0.401 0.000 0.931 512 R CA 0.426 56.702 56.100 0.293 0.000 1.082 512 R CB 0.421 30.826 30.300 0.176 0.000 1.135 512 R HN 0.356 nan 8.270 nan 0.000 0.525 513 G N 1.754 110.725 108.800 0.284 0.000 2.198 513 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.260 513 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.260 513 G C 0.271 175.201 174.900 0.050 0.000 1.025 513 G CA 0.374 45.502 45.100 0.047 0.000 0.769 513 G HN 0.500 nan 8.290 nan 0.000 0.507 514 E N -0.482 119.772 120.200 0.091 0.000 2.501 514 E HA 0.491 4.841 4.350 -0.000 0.000 0.201 514 E C 1.608 178.276 176.600 0.112 0.000 1.016 514 E CA 0.195 56.664 56.400 0.114 0.000 0.920 514 E CB 0.609 30.378 29.700 0.115 0.000 1.023 514 E HN 0.713 nan 8.360 nan 0.000 0.474 515 A N 0.762 123.625 122.820 0.071 0.000 2.292 515 A HA 0.285 4.605 4.320 -0.000 0.000 0.265 515 A C 0.526 178.247 177.584 0.228 0.000 1.133 515 A CA -0.144 51.926 52.037 0.055 0.000 0.807 515 A CB 0.022 19.031 19.000 0.015 0.000 1.102 515 A HN 0.343 nan 8.150 nan 0.000 0.502 516 F N -2.621 117.462 119.950 0.222 0.000 2.752 516 F HA 0.288 4.814 4.527 -0.001 0.000 0.310 516 F C 0.855 176.817 175.800 0.270 0.000 1.097 516 F CA 0.349 58.524 58.000 0.292 0.000 1.238 516 F CB -0.396 38.790 39.000 0.310 0.000 1.061 516 F HN 0.480 nan 8.300 nan 0.000 0.591 517 D N 1.316 121.559 120.400 -0.261 0.000 2.092 517 D HA -0.128 4.511 4.640 -0.000 0.000 0.193 517 D C 2.114 178.513 176.300 0.165 0.000 0.994 517 D CA 1.653 55.633 54.000 -0.034 0.000 0.828 517 D CB -0.010 40.697 40.800 -0.154 0.000 0.963 517 D HN 0.030 nan 8.370 nan 0.000 0.450 518 R N -0.271 120.293 120.500 0.107 0.000 2.115 518 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 518 R C 2.129 178.709 176.300 0.466 0.000 1.111 518 R CA 0.925 57.124 56.100 0.166 0.000 0.976 518 R CB -1.068 29.205 30.300 -0.046 0.000 0.870 518 R HN 0.562 nan 8.270 nan 0.000 0.445 519 H N 0.616 119.909 119.070 0.373 0.000 2.290 519 H HA -0.032 4.523 4.556 -0.000 0.000 0.298 519 H C 2.104 177.618 175.328 0.311 0.000 1.087 519 H CA 1.364 57.648 56.048 0.395 0.000 1.291 519 H CB 0.124 30.069 29.762 0.306 0.000 1.369 519 H HN 0.054 nan 8.280 nan 0.000 0.492 520 L N 0.246 121.653 121.223 0.305 0.000 2.046 520 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 520 L C 2.747 179.689 176.870 0.120 0.000 1.077 520 L CA 0.708 55.664 54.840 0.192 0.000 0.747 520 L CB -0.348 41.868 42.059 0.263 0.000 0.896 520 L HN 0.343 nan 8.230 nan 0.000 0.432 521 L N 0.325 121.658 121.223 0.184 0.000 2.042 521 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 521 L C 2.332 179.192 176.870 -0.017 0.000 1.076 521 L CA 2.203 57.077 54.840 0.056 0.000 0.749 521 L CB -1.082 41.084 42.059 0.179 0.000 0.893 521 L HN 0.126 nan 8.230 nan 0.000 0.432 522 G N -0.369 108.593 108.800 0.270 0.000 2.418 522 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 522 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 522 G C 1.600 176.561 174.900 0.102 0.000 1.158 522 G CA 1.126 46.453 45.100 0.379 0.000 0.771 522 G HN 0.455 nan 8.290 nan 0.000 0.545 523 L N 0.047 121.342 121.223 0.119 0.000 2.046 523 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 523 L C 2.804 179.650 176.870 -0.041 0.000 1.077 523 L CA 1.531 56.454 54.840 0.138 0.000 0.747 523 L CB -0.311 41.935 42.059 0.312 0.000 0.896 523 L HN 0.224 nan 8.230 nan 0.000 0.432 524 K N 0.685 120.796 120.400 -0.482 0.000 2.057 524 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 524 K C 2.113 178.436 176.600 -0.461 0.000 1.050 524 K CA 1.234 57.016 56.287 -0.842 0.000 0.935 524 K CB -0.027 31.658 32.500 -1.359 0.000 0.715 524 K HN 0.243 nan 8.250 nan 0.000 0.439 525 L N 0.636 121.540 121.223 -0.532 0.000 2.217 525 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 525 L C 2.636 179.252 176.870 -0.424 0.000 1.107 525 L CA 0.761 55.190 54.840 -0.685 0.000 0.783 525 L CB -0.310 40.872 42.059 -1.462 0.000 0.919 525 L HN 0.276 nan 8.230 nan 0.000 0.442 526 Q N 0.571 120.248 119.800 -0.205 0.000 2.079 526 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 526 Q C 2.231 178.272 176.000 0.069 0.000 0.974 526 Q CA 1.926 57.804 55.803 0.126 0.000 0.840 526 Q CB -0.184 28.679 28.738 0.208 0.000 0.898 526 Q HN 0.403 nan 8.270 nan 0.000 0.430 527 A N 0.334 123.168 122.820 0.023 0.000 1.883 527 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 527 A C 2.153 179.747 177.584 0.017 0.000 1.186 527 A CA 1.592 53.656 52.037 0.045 0.000 0.624 527 A CB -0.824 18.224 19.000 0.079 0.000 0.822 527 A HN 0.482 nan 8.150 nan 0.000 0.444 528 I N -0.677 119.872 120.570 -0.036 0.000 2.163 528 I HA -0.277 3.892 4.170 -0.000 0.000 0.243 528 I C 2.601 178.727 176.117 0.015 0.000 1.085 528 I CA 1.942 63.223 61.300 -0.032 0.000 1.347 528 I CB -0.303 37.643 38.000 -0.090 0.000 1.044 528 I HN 0.550 nan 8.210 nan 0.000 0.408 529 E N 0.729 120.958 120.200 0.049 0.000 2.204 529 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 529 E C 1.161 177.812 176.600 0.086 0.000 0.989 529 E CA 1.119 57.582 56.400 0.106 0.000 0.824 529 E CB 0.126 29.956 29.700 0.216 0.000 0.756 529 E HN 0.402 nan 8.360 nan 0.000 0.477 530 D N 0.142 120.587 120.400 0.075 0.000 2.349 530 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 530 D C 0.580 176.906 176.300 0.043 0.000 1.029 530 D CA 0.293 54.328 54.000 0.059 0.000 0.879 530 D CB 0.234 41.068 40.800 0.057 0.000 0.906 530 D HN 0.232 nan 8.370 nan 0.000 0.528 531 L N -0.598 120.648 121.223 0.038 0.000 3.865 531 L HA -0.194 4.146 4.340 -0.000 0.000 0.408 531 L C 0.033 176.918 176.870 0.026 0.000 1.209 531 L CA -0.110 54.747 54.840 0.029 0.000 0.940 531 L CB -2.247 39.828 42.059 0.027 0.000 1.971 531 L HN -0.040 nan 8.230 nan 0.000 0.899 532 V N -3.768 116.165 119.914 0.031 0.000 2.732 532 V HA 0.714 4.834 4.120 -0.000 0.000 0.310 532 V C 1.051 177.167 176.094 0.036 0.000 1.053 532 V CA -0.503 61.817 62.300 0.033 0.000 0.957 532 V CB 1.804 33.651 31.823 0.041 0.000 1.018 532 V HN 0.214 nan 8.190 nan 0.000 0.452 533 S N 4.156 119.876 115.700 0.034 0.000 2.558 533 S HA 0.117 4.586 4.470 -0.000 0.000 0.291 533 S C 0.089 174.720 174.600 0.051 0.000 1.306 533 S CA -0.071 58.149 58.200 0.034 0.000 1.056 533 S CB 0.005 63.222 63.200 0.028 0.000 0.836 533 S HN 0.965 nan 8.310 nan 0.000 0.504 534 M N 4.187 123.816 119.600 0.048 0.000 2.303 534 M HA 0.092 4.572 4.480 -0.000 0.000 0.350 534 M C -2.376 173.979 176.300 0.091 0.000 1.518 534 M CA -1.323 54.024 55.300 0.079 0.000 1.070 534 M CB 0.124 32.760 32.600 0.059 0.000 1.910 534 M HN 0.282 nan 8.290 nan 0.000 0.458 535 P HA -0.035 nan 4.420 nan 0.000 0.265 535 P C -0.240 176.980 177.300 -0.132 0.000 1.187 535 P CA -0.033 63.074 63.100 0.012 0.000 0.766 535 P CB 0.487 32.172 31.700 -0.025 0.000 0.820 536 D N 2.056 122.362 120.400 -0.155 0.000 2.182 536 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 536 D C 1.714 177.830 176.300 -0.308 0.000 0.986 536 D CA 1.089 54.991 54.000 -0.164 0.000 0.847 536 D CB -0.303 40.422 40.800 -0.125 0.000 0.942 536 D HN 0.408 nan 8.370 nan 0.000 0.467 537 I N -0.097 120.108 120.570 -0.608 0.000 2.315 537 I HA -0.286 3.883 4.170 -0.000 0.000 0.251 537 I C 1.451 177.077 176.117 -0.819 0.000 1.125 537 I CA 1.203 61.999 61.300 -0.840 0.000 1.392 537 I CB -0.057 37.082 38.000 -1.435 0.000 1.065 537 I HN -0.114 nan 8.210 nan 0.000 0.424 538 F N -0.505 119.172 119.950 -0.456 0.000 2.754 538 F HA 0.116 4.642 4.527 -0.001 0.000 0.297 538 F C 1.987 177.729 175.800 -0.097 0.000 1.122 538 F CA 0.054 57.785 58.000 -0.449 0.000 1.400 538 F CB -0.037 38.708 39.000 -0.426 0.000 1.117 538 F HN -0.019 nan 8.300 nan 0.000 0.587 539 M N -0.639 118.988 119.600 0.044 0.000 2.371 539 M HA 0.068 4.547 4.480 -0.000 0.000 0.246 539 M C -0.075 176.270 176.300 0.076 0.000 1.103 539 M CA -0.033 55.312 55.300 0.076 0.000 1.010 539 M CB -0.024 32.600 32.600 0.041 0.000 1.457 539 M HN -0.154 nan 8.290 nan 0.000 0.486 540 D N 0.645 121.082 120.400 0.061 0.000 2.424 540 D HA 0.019 4.658 4.640 -0.000 0.000 0.244 540 D C 0.890 177.272 176.300 0.136 0.000 1.134 540 D CA 0.622 54.675 54.000 0.088 0.000 0.881 540 D CB 1.320 42.136 40.800 0.027 0.000 1.191 540 D HN -0.024 nan 8.370 nan 0.000 0.445 541 T N 1.915 116.536 114.554 0.111 0.000 2.759 541 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 541 T C 1.919 176.676 174.700 0.094 0.000 1.042 541 T CA 1.584 63.733 62.100 0.082 0.000 1.140 541 T CB -0.100 68.800 68.868 0.053 0.000 0.864 541 T HN 0.378 nan 8.240 nan 0.000 0.455 542 S N 0.013 115.781 115.700 0.113 0.000 2.383 542 S HA -0.111 4.359 4.470 -0.000 0.000 0.229 542 S C 1.645 176.364 174.600 0.199 0.000 1.030 542 S CA 1.043 59.310 58.200 0.113 0.000 1.002 542 S CB -0.454 62.779 63.200 0.054 0.000 0.829 542 S HN 0.642 nan 8.310 nan 0.000 0.467 543 Y N 1.822 122.206 120.300 0.141 0.000 2.200 543 Y HA -0.117 4.433 4.550 -0.000 0.000 0.290 543 Y C 2.438 178.405 175.900 0.112 0.000 1.137 543 Y CA 0.967 59.182 58.100 0.192 0.000 1.163 543 Y CB -0.415 38.137 38.460 0.153 0.000 0.988 543 Y HN 0.265 nan 8.280 nan 0.000 0.518 544 A N 0.393 123.255 122.820 0.070 0.000 1.902 544 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 544 A C 2.170 179.704 177.584 -0.083 0.000 1.181 544 A CA 1.975 53.992 52.037 -0.033 0.000 0.623 544 A CB -1.031 17.980 19.000 0.019 0.000 0.818 544 A HN 0.587 nan 8.150 nan 0.000 0.443 545 I N -0.389 120.155 120.570 -0.042 0.000 2.202 545 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 545 I C 2.962 179.022 176.117 -0.094 0.000 1.091 545 I CA 0.998 62.268 61.300 -0.050 0.000 1.368 545 I CB -0.356 37.640 38.000 -0.007 0.000 1.058 545 I HN 0.348 nan 8.210 nan 0.000 0.410 546 A N 0.471 123.246 122.820 -0.074 0.000 1.978 546 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 546 A C 2.109 179.437 177.584 -0.426 0.000 1.170 546 A CA 1.509 53.494 52.037 -0.087 0.000 0.636 546 A CB -0.311 18.796 19.000 0.179 0.000 0.810 546 A HN 0.338 nan 8.150 nan 0.000 0.448 547 M N -0.609 118.683 119.600 -0.514 0.000 2.428 547 M HA 0.114 4.594 4.480 -0.000 0.000 0.239 547 M C 0.436 176.347 176.300 -0.648 0.000 1.121 547 M CA 0.325 55.216 55.300 -0.680 0.000 1.019 547 M CB -0.733 31.552 32.600 -0.524 0.000 1.485 547 M HN 0.449 nan 8.290 nan 0.000 0.484 548 H N 0.472 119.195 119.070 -0.577 0.000 2.746 548 H HA 0.230 4.786 4.556 -0.001 0.000 0.269 548 H C -1.260 173.883 175.328 -0.309 0.000 1.248 548 H CA -0.447 55.407 56.048 -0.323 0.000 1.258 548 H CB 0.052 29.710 29.762 -0.174 0.000 1.441 548 H HN -0.051 nan 8.280 nan 0.000 0.508 549 F N 4.535 124.412 119.950 -0.121 0.000 2.509 549 F HA 0.107 4.633 4.527 -0.001 0.000 0.350 549 F C 1.685 177.449 175.800 -0.059 0.000 1.220 549 F CA -0.388 57.584 58.000 -0.045 0.000 1.151 549 F CB 0.113 39.108 39.000 -0.009 0.000 1.379 549 F HN 0.506 nan 8.300 nan 0.000 0.610 550 N N 2.461 121.247 118.700 0.143 0.000 2.364 550 N HA -0.078 4.661 4.740 -0.000 0.000 0.183 550 N C 0.164 175.799 175.510 0.209 0.000 1.022 550 N CA 0.915 54.048 53.050 0.139 0.000 0.883 550 N CB 0.412 38.965 38.487 0.109 0.000 0.965 550 N HN 0.386 nan 8.380 nan 0.000 0.438 551 L N 0.561 121.893 121.223 0.182 0.000 2.372 551 L HA 0.242 4.581 4.340 -0.000 0.000 0.273 551 L C -0.477 176.523 176.870 0.217 0.000 0.989 551 L CA -0.363 54.596 54.840 0.199 0.000 0.841 551 L CB 2.093 44.197 42.059 0.074 0.000 1.225 551 L HN -0.197 nan 8.230 nan 0.000 0.414 552 S N 2.302 118.144 115.700 0.237 0.000 2.530 552 S HA 0.755 5.225 4.470 -0.000 0.000 0.322 552 S C -0.303 174.519 174.600 0.371 0.000 1.085 552 S CA -0.351 57.959 58.200 0.182 0.000 1.096 552 S CB 0.988 64.250 63.200 0.103 0.000 0.988 552 S HN 0.694 nan 8.310 nan 0.000 0.466 553 T N 0.937 115.706 114.554 0.359 0.000 2.865 553 T HA 0.876 5.225 4.350 -0.000 0.000 0.294 553 T C -0.757 174.171 174.700 0.380 0.000 1.119 553 T CA -0.583 61.785 62.100 0.447 0.000 1.007 553 T CB 1.553 70.651 68.868 0.382 0.000 1.225 553 T HN 1.106 nan 8.240 nan 0.000 0.515 554 S N 0.245 116.130 115.700 0.308 0.000 2.543 554 S HA 0.453 4.922 4.470 -0.000 0.000 0.274 554 S C -1.483 172.957 174.600 -0.267 0.000 1.149 554 S CA -0.950 57.311 58.200 0.101 0.000 0.866 554 S CB 1.725 65.030 63.200 0.174 0.000 1.111 554 S HN 1.132 nan 8.310 nan 0.000 0.457 555 Q N 1.625 121.193 119.800 -0.386 0.000 2.290 555 Q HA 0.653 4.993 4.340 -0.000 0.000 0.259 555 Q C -1.575 174.258 176.000 -0.278 0.000 0.941 555 Q CA -0.819 54.571 55.803 -0.690 0.000 0.912 555 Q CB 1.537 30.014 28.738 -0.436 0.000 1.244 555 Q HN 0.705 nan 8.270 nan 0.000 0.441 556 V N 6.459 126.231 119.914 -0.236 0.000 2.315 556 V HA 0.315 4.435 4.120 -0.000 0.000 0.265 556 V C -2.357 173.689 176.094 -0.080 0.000 1.019 556 V CA -1.549 60.689 62.300 -0.103 0.000 0.824 556 V CB 0.837 32.627 31.823 -0.054 0.000 1.072 556 V HN 0.780 nan 8.190 nan 0.000 0.448 557 P HA 0.516 nan 4.420 nan 0.000 0.271 557 P C -0.382 176.908 177.300 -0.017 0.000 1.216 557 P CA 0.293 63.375 63.100 -0.030 0.000 0.776 557 P CB 1.084 32.778 31.700 -0.010 0.000 0.881 558 A N 2.465 125.280 122.820 -0.009 0.000 2.594 558 A HA 0.364 4.684 4.320 -0.000 0.000 0.295 558 A C 0.599 178.191 177.584 0.013 0.000 1.071 558 A CA -0.637 51.402 52.037 0.004 0.000 0.685 558 A CB 1.259 20.259 19.000 0.001 0.000 1.285 558 A HN 0.384 nan 8.150 nan 0.000 0.405 559 K N 0.105 120.520 120.400 0.025 0.000 2.228 559 K HA 0.025 4.345 4.320 -0.000 0.000 0.202 559 K C 0.239 176.862 176.600 0.039 0.000 1.051 559 K CA 1.138 57.444 56.287 0.032 0.000 0.960 559 K CB -0.062 32.461 32.500 0.038 0.000 0.743 559 K HN 0.724 nan 8.250 nan 0.000 0.458 560 T N 1.734 116.313 114.554 0.041 0.000 2.907 560 T HA -0.014 4.336 4.350 -0.000 0.000 0.298 560 T C -0.095 174.643 174.700 0.062 0.000 1.017 560 T CA -0.178 61.954 62.100 0.054 0.000 1.118 560 T CB 0.917 69.817 68.868 0.054 0.000 0.948 560 T HN 0.008 nan 8.240 nan 0.000 0.531 561 D N 2.411 122.862 120.400 0.084 0.000 2.608 561 D HA 0.200 4.840 4.640 -0.000 0.000 0.224 561 D C 0.203 176.570 176.300 0.110 0.000 1.123 561 D CA -0.521 53.550 54.000 0.119 0.000 1.030 561 D CB -0.858 40.031 40.800 0.149 0.000 1.093 561 D HN 0.607 nan 8.370 nan 0.000 0.497 562 C N 0.026 119.381 119.300 0.091 0.000 2.871 562 C HA 0.916 5.376 4.460 -0.000 0.000 0.351 562 C C -0.226 174.823 174.990 0.098 0.000 1.338 562 C CA -0.915 58.161 59.018 0.096 0.000 1.686 562 C CB 1.386 29.171 27.740 0.075 0.000 2.135 562 C HN 0.213 nan 8.230 nan 0.000 0.476 563 V N 1.062 121.053 119.914 0.128 0.000 3.048 563 V HA 0.642 4.761 4.120 -0.000 0.000 0.303 563 V C -1.002 175.181 176.094 0.148 0.000 1.214 563 V CA -0.475 61.914 62.300 0.148 0.000 0.984 563 V CB 2.219 34.165 31.823 0.205 0.000 1.054 563 V HN 1.059 nan 8.190 nan 0.000 0.430 564 M N 5.304 124.946 119.600 0.070 0.000 2.762 564 M HA 0.779 5.259 4.480 -0.000 0.000 0.306 564 M C -1.290 174.979 176.300 -0.053 0.000 1.223 564 M CA -0.535 54.661 55.300 -0.173 0.000 0.896 564 M CB 2.159 34.711 32.600 -0.080 0.000 1.684 564 M HN 0.688 nan 8.290 nan 0.000 0.491 565 F N -0.144 119.806 119.950 -0.000 0.000 2.693 565 F HA 0.851 5.378 4.527 0.000 0.000 0.309 565 F C -1.397 174.373 175.800 -0.049 0.000 1.129 565 F CA -1.495 56.400 58.000 -0.174 0.000 0.948 565 F CB 1.148 40.068 39.000 -0.134 0.000 1.315 565 F HN 0.549 nan 8.300 nan 0.000 0.447 566 F N -1.218 118.841 119.950 0.182 0.000 2.719 566 F HA 0.855 5.382 4.527 0.000 0.000 0.309 566 F C -0.216 175.643 175.800 0.099 0.000 1.138 566 F CA -1.789 56.266 58.000 0.093 0.000 0.943 566 F CB 0.764 39.785 39.000 0.036 0.000 1.304 566 F HN 0.851 nan 8.300 nan 0.000 0.445 567 G N 0.627 109.633 108.800 0.342 0.000 2.569 567 G HA2 0.552 4.512 3.960 -0.000 0.000 0.249 567 G HA3 0.552 4.512 3.960 -0.000 0.000 0.249 567 G C -2.971 172.110 174.900 0.302 0.000 1.216 567 G CA -1.641 43.590 45.100 0.219 0.000 0.845 567 G HN 0.507 nan 8.290 nan 0.000 0.568 568 P HA 0.087 nan 4.420 nan 0.000 0.270 568 P C 1.133 178.624 177.300 0.318 0.000 1.223 568 P CA -0.275 62.914 63.100 0.148 0.000 0.785 568 P CB 1.017 32.663 31.700 -0.090 0.000 0.923 569 V N 0.065 120.092 119.914 0.189 0.000 3.608 569 V HA 0.121 4.240 4.120 -0.000 0.000 0.269 569 V C 0.539 176.655 176.094 0.037 0.000 1.245 569 V CA 0.556 62.906 62.300 0.083 0.000 1.138 569 V CB -0.644 31.145 31.823 -0.057 0.000 0.841 569 V HN 0.338 nan 8.190 nan 0.000 0.451 570 V N -5.673 114.278 119.914 0.062 0.000 3.078 570 V HA 0.651 4.771 4.120 -0.000 0.000 0.311 570 V C -2.073 174.102 176.094 0.136 0.000 1.138 570 V CA -1.871 60.400 62.300 -0.048 0.000 1.007 570 V CB 1.270 32.822 31.823 -0.452 0.000 1.045 570 V HN -0.015 nan 8.190 nan 0.000 0.432 571 P HA -0.101 nan 4.420 nan 0.000 0.216 571 P C 0.309 177.721 177.300 0.187 0.000 1.150 571 P CA 1.873 65.034 63.100 0.100 0.000 0.837 571 P CB -0.026 31.680 31.700 0.011 0.000 0.786 572 D N -1.319 119.165 120.400 0.141 0.000 2.894 572 D HA 0.283 4.923 4.640 -0.000 0.000 0.248 572 D C 0.651 176.974 176.300 0.038 0.000 1.291 572 D CA -0.462 53.590 54.000 0.085 0.000 0.840 572 D CB -0.347 40.516 40.800 0.106 0.000 1.044 572 D HN 0.037 nan 8.370 nan 0.000 0.484 573 G N -0.871 107.934 108.800 0.009 0.000 3.015 573 G HA2 0.583 4.543 3.960 -0.000 0.000 0.281 573 G HA3 0.583 4.543 3.960 -0.000 0.000 0.281 573 G C -1.664 173.142 174.900 -0.157 0.000 1.386 573 G CA -0.852 44.254 45.100 0.010 0.000 0.959 573 G HN 0.072 nan 8.290 nan 0.000 0.522 574 Y N -1.363 118.990 120.300 0.088 0.000 2.570 574 Y HA 0.639 5.188 4.550 -0.001 0.000 0.345 574 Y C 0.623 176.569 175.900 0.076 0.000 1.014 574 Y CA -0.676 57.452 58.100 0.048 0.000 1.063 574 Y CB 2.697 41.209 38.460 0.086 0.000 1.272 574 Y HN 0.713 nan 8.280 nan 0.000 0.477 575 G N 2.380 111.290 108.800 0.182 0.000 2.502 575 G HA2 0.670 4.630 3.960 -0.000 0.000 0.311 575 G HA3 0.670 4.630 3.960 -0.000 0.000 0.311 575 G C -1.318 173.510 174.900 -0.120 0.000 1.270 575 G CA -0.468 44.701 45.100 0.116 0.000 0.948 575 G HN 0.508 nan 8.290 nan 0.000 0.487 576 I N 1.659 122.222 120.570 -0.012 0.000 2.466 576 I HA 0.395 4.565 4.170 -0.000 0.000 0.289 576 I C -0.548 175.645 176.117 0.127 0.000 1.026 576 I CA -0.740 60.591 61.300 0.051 0.000 1.078 576 I CB 2.196 40.307 38.000 0.186 0.000 1.249 576 I HN 0.429 nan 8.210 nan 0.000 0.429 577 C N 7.162 126.519 119.300 0.095 0.000 2.802 577 C HA 0.864 5.324 4.460 -0.000 0.000 0.307 577 C C -1.290 173.866 174.990 0.277 0.000 1.222 577 C CA -0.388 58.714 59.018 0.141 0.000 1.580 577 C CB 1.477 29.227 27.740 0.016 0.000 2.119 577 C HN 0.753 nan 8.230 nan 0.000 0.479 578 Y N 2.148 122.480 120.300 0.053 0.000 2.581 578 Y HA 0.622 5.172 4.550 -0.000 0.000 0.337 578 Y C -0.960 174.860 175.900 -0.134 0.000 1.108 578 Y CA -1.177 56.839 58.100 -0.141 0.000 1.033 578 Y CB 0.876 39.051 38.460 -0.475 0.000 1.318 578 Y HN 0.556 nan 8.280 nan 0.000 0.459 579 N N 2.498 121.167 118.700 -0.052 0.000 2.573 579 N HA 0.509 5.248 4.740 -0.000 0.000 0.262 579 N C -3.406 172.055 175.510 -0.082 0.000 1.029 579 N CA -2.476 50.538 53.050 -0.060 0.000 0.882 579 N CB 1.818 40.285 38.487 -0.033 0.000 1.204 579 N HN 0.371 nan 8.380 nan 0.000 0.519 580 P HA 0.215 nan 4.420 nan 0.000 0.276 580 P C -0.217 177.025 177.300 -0.097 0.000 1.253 580 P CA -0.149 62.917 63.100 -0.057 0.000 0.766 580 P CB 0.577 32.304 31.700 0.044 0.000 0.845 581 M N 1.867 121.340 119.600 -0.212 0.000 2.679 581 M HA 0.251 4.731 4.480 -0.000 0.000 0.287 581 M C 1.674 177.912 176.300 -0.103 0.000 1.202 581 M CA -0.785 54.376 55.300 -0.232 0.000 0.911 581 M CB 0.383 32.631 32.600 -0.586 0.000 1.556 581 M HN 0.234 nan 8.290 nan 0.000 0.511 582 E N 1.281 121.460 120.200 -0.035 0.000 2.077 582 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 582 E C 1.162 177.815 176.600 0.089 0.000 0.989 582 E CA 2.152 58.574 56.400 0.036 0.000 0.800 582 E CB 0.113 29.843 29.700 0.050 0.000 0.746 582 E HN 0.689 nan 8.360 nan 0.000 0.452 583 A N -0.331 122.562 122.820 0.121 0.000 2.508 583 A HA 0.215 4.535 4.320 -0.000 0.000 0.257 583 A C 0.029 177.772 177.584 0.266 0.000 1.226 583 A CA 0.100 52.257 52.037 0.200 0.000 0.947 583 A CB -0.218 18.895 19.000 0.188 0.000 1.079 583 A HN 0.493 nan 8.150 nan 0.000 0.531 584 H N -2.214 116.925 119.070 0.116 0.000 2.948 584 H HA 0.675 5.230 4.556 -0.001 0.000 0.315 584 H C -1.986 173.416 175.328 0.123 0.000 1.360 584 H CA -1.267 54.849 56.048 0.114 0.000 1.125 584 H CB 0.679 30.488 29.762 0.079 0.000 1.844 584 H HN 0.009 nan 8.280 nan 0.000 0.529 585 I N 1.335 122.019 120.570 0.190 0.000 2.569 585 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 585 I C -0.743 175.394 176.117 0.034 0.000 1.088 585 I CA -0.594 60.673 61.300 -0.054 0.000 1.047 585 I CB 2.142 40.004 38.000 -0.230 0.000 1.237 585 I HN 0.445 nan 8.210 nan 0.000 0.421 586 N N 5.603 124.274 118.700 -0.049 0.000 2.419 586 N HA 0.545 5.285 4.740 -0.000 0.000 0.264 586 N C -1.385 174.106 175.510 -0.031 0.000 1.031 586 N CA -0.347 52.753 53.050 0.083 0.000 0.951 586 N CB 1.087 39.645 38.487 0.118 0.000 1.101 586 N HN 0.275 nan 8.380 nan 0.000 0.488 587 F N 0.613 120.670 119.950 0.178 0.000 2.561 587 F HA 0.480 5.007 4.527 0.001 0.000 0.321 587 F C 0.422 176.292 175.800 0.115 0.000 1.065 587 F CA -0.775 57.319 58.000 0.158 0.000 0.934 587 F CB 1.856 40.914 39.000 0.096 0.000 1.215 587 F HN 0.292 nan 8.300 nan 0.000 0.471 588 S N 1.106 117.002 115.700 0.328 0.000 2.538 588 S HA 0.904 5.373 4.470 -0.000 0.000 0.288 588 S C -1.555 173.104 174.600 0.098 0.000 1.108 588 S CA -0.702 57.594 58.200 0.159 0.000 0.971 588 S CB 1.687 64.994 63.200 0.179 0.000 1.041 588 S HN 0.390 nan 8.310 nan 0.000 0.483 589 V N 2.723 122.655 119.914 0.031 0.000 2.569 589 V HA 0.762 4.882 4.120 -0.000 0.000 0.301 589 V C -0.217 175.883 176.094 0.011 0.000 1.044 589 V CA -0.466 61.851 62.300 0.028 0.000 0.874 589 V CB 1.650 33.486 31.823 0.021 0.000 1.002 589 V HN 1.169 nan 8.190 nan 0.000 0.424 590 S N 3.414 119.121 115.700 0.011 0.000 2.600 590 S HA 1.017 5.487 4.470 -0.000 0.000 0.300 590 S C -0.480 174.068 174.600 -0.086 0.000 1.087 590 S CA -0.153 58.011 58.200 -0.060 0.000 0.965 590 S CB 2.566 65.695 63.200 -0.119 0.000 1.089 590 S HN 1.669 nan 8.310 nan 0.000 0.496 591 A N 0.719 123.394 122.820 -0.241 0.000 2.599 591 A HA 0.731 5.051 4.320 -0.000 0.000 0.290 591 A C -2.256 175.075 177.584 -0.422 0.000 1.101 591 A CA -0.830 50.969 52.037 -0.396 0.000 0.674 591 A CB 0.637 19.443 19.000 -0.323 0.000 1.277 591 A HN 0.762 nan 8.150 nan 0.000 0.419 592 Y N 1.160 121.415 120.300 -0.075 0.000 2.360 592 Y HA 0.336 4.886 4.550 -0.001 0.000 0.337 592 Y C 1.332 177.211 175.900 -0.035 0.000 1.039 592 Y CA -1.082 57.003 58.100 -0.025 0.000 1.109 592 Y CB 1.472 39.931 38.460 -0.003 0.000 1.201 592 Y HN 0.706 nan 8.280 nan 0.000 0.458 593 N N 0.421 119.211 118.700 0.151 0.000 2.381 593 N HA -0.134 4.606 4.740 -0.000 0.000 0.182 593 N C 1.576 177.126 175.510 0.066 0.000 1.025 593 N CA 1.278 54.374 53.050 0.076 0.000 0.888 593 N CB -0.120 38.401 38.487 0.057 0.000 0.965 593 N HN 0.658 nan 8.380 nan 0.000 0.438 594 S N -0.838 114.910 115.700 0.081 0.000 2.507 594 S HA -0.038 4.432 4.470 -0.000 0.000 0.235 594 S C 1.161 175.784 174.600 0.039 0.000 0.988 594 S CA -0.124 58.099 58.200 0.039 0.000 0.944 594 S CB -0.517 62.685 63.200 0.004 0.000 0.762 594 S HN 0.336 nan 8.310 nan 0.000 0.526 595 C N 2.197 121.532 119.300 0.058 0.000 2.264 595 C HA 0.821 5.281 4.460 -0.000 0.000 0.322 595 C C 1.619 176.628 174.990 0.032 0.000 1.210 595 C CA -0.575 58.469 59.018 0.042 0.000 1.539 595 C CB -0.459 27.308 27.740 0.046 0.000 2.167 595 C HN 0.552 nan 8.230 nan 0.000 0.463 596 A N 3.612 126.450 122.820 0.031 0.000 2.070 596 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 596 A C 1.752 179.361 177.584 0.041 0.000 1.159 596 A CA 1.592 53.647 52.037 0.030 0.000 0.656 596 A CB -0.194 18.821 19.000 0.025 0.000 0.800 596 A HN 0.886 nan 8.150 nan 0.000 0.453 597 E N -0.010 120.226 120.200 0.060 0.000 2.427 597 E HA 0.029 4.379 4.350 -0.000 0.000 0.196 597 E C 0.755 177.456 176.600 0.169 0.000 1.028 597 E CA 0.916 57.386 56.400 0.116 0.000 0.864 597 E CB -0.080 29.713 29.700 0.155 0.000 0.813 597 E HN 0.715 nan 8.360 nan 0.000 0.514 598 T N -1.089 113.503 114.554 0.064 0.000 2.888 598 T HA 0.519 4.869 4.350 -0.000 0.000 0.284 598 T C -0.356 174.362 174.700 0.031 0.000 1.017 598 T CA -1.043 61.060 62.100 0.005 0.000 1.022 598 T CB 1.630 70.226 68.868 -0.453 0.000 1.013 598 T HN -0.079 nan 8.240 nan 0.000 0.465 599 N N 0.560 119.365 118.700 0.174 0.000 2.542 599 N HA 0.339 5.079 4.740 -0.000 0.000 0.288 599 N C 0.777 176.429 175.510 0.236 0.000 1.115 599 N CA -0.226 52.902 53.050 0.130 0.000 0.924 599 N CB 2.034 40.565 38.487 0.073 0.000 1.526 599 N HN 0.766 nan 8.380 nan 0.000 0.515 600 A N 3.495 126.416 122.820 0.168 0.000 1.883 600 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 600 A C 2.083 179.674 177.584 0.012 0.000 1.186 600 A CA 2.238 54.367 52.037 0.152 0.000 0.624 600 A CB -0.743 18.294 19.000 0.061 0.000 0.822 600 A HN 0.768 nan 8.150 nan 0.000 0.444 601 A N -0.451 122.335 122.820 -0.056 0.000 1.908 601 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 601 A C 2.273 179.647 177.584 -0.350 0.000 1.181 601 A CA 1.905 53.808 52.037 -0.223 0.000 0.627 601 A CB -0.518 18.374 19.000 -0.180 0.000 0.818 601 A HN 0.578 nan 8.150 nan 0.000 0.445 602 R N -1.457 118.975 120.500 -0.113 0.000 2.073 602 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 602 R C 2.166 178.497 176.300 0.052 0.000 1.134 602 R CA 1.944 58.058 56.100 0.023 0.000 0.952 602 R CB -0.334 29.991 30.300 0.040 0.000 0.850 602 R HN 0.454 nan 8.270 nan 0.000 0.433 603 M N 0.539 120.113 119.600 -0.043 0.000 2.108 603 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 603 M C 2.013 178.258 176.300 -0.092 0.000 1.066 603 M CA 2.083 57.290 55.300 -0.154 0.000 1.107 603 M CB -0.293 32.060 32.600 -0.411 0.000 1.356 603 M HN 0.259 nan 8.290 nan 0.000 0.406 604 A N -1.243 121.514 122.820 -0.104 0.000 1.902 604 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 604 A C 1.984 179.580 177.584 0.019 0.000 1.181 604 A CA 2.028 54.004 52.037 -0.103 0.000 0.623 604 A CB -1.327 17.610 19.000 -0.105 0.000 0.818 604 A HN 0.774 nan 8.150 nan 0.000 0.443 605 H N -2.939 116.161 119.070 0.051 0.000 2.321 605 H HA -0.163 4.392 4.556 -0.001 0.000 0.300 605 H C 1.968 177.301 175.328 0.008 0.000 1.087 605 H CA 1.721 57.794 56.048 0.042 0.000 1.319 605 H CB -0.156 29.639 29.762 0.055 0.000 1.379 605 H HN 0.597 nan 8.280 nan 0.000 0.501 606 Y N 0.155 120.486 120.300 0.052 0.000 2.293 606 Y HA -0.180 4.369 4.550 -0.002 0.000 0.291 606 Y C 2.395 178.260 175.900 -0.057 0.000 1.137 606 Y CA 0.735 58.825 58.100 -0.017 0.000 1.202 606 Y CB -0.227 38.198 38.460 -0.059 0.000 0.990 606 Y HN 0.170 nan 8.280 nan 0.000 0.537 607 L N 0.528 121.768 121.223 0.028 0.000 2.027 607 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 607 L C 2.297 179.067 176.870 -0.168 0.000 1.074 607 L CA 2.053 56.805 54.840 -0.147 0.000 0.745 607 L CB -0.913 40.935 42.059 -0.352 0.000 0.898 607 L HN 0.324 nan 8.230 nan 0.000 0.433 608 E N -0.461 119.698 120.200 -0.068 0.000 2.058 608 E HA -0.334 4.016 4.350 -0.000 0.000 0.194 608 E C 2.160 178.829 176.600 0.115 0.000 0.997 608 E CA 1.565 58.033 56.400 0.113 0.000 0.801 608 E CB -0.119 29.735 29.700 0.257 0.000 0.746 608 E HN 0.325 nan 8.360 nan 0.000 0.450 609 K N 0.588 121.002 120.400 0.023 0.000 2.097 609 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 609 K C 1.772 178.377 176.600 0.008 0.000 1.050 609 K CA 1.378 57.651 56.287 -0.023 0.000 0.938 609 K CB -0.509 31.916 32.500 -0.125 0.000 0.718 609 K HN 0.237 nan 8.250 nan 0.000 0.442 610 A N 0.583 123.409 122.820 0.011 0.000 1.902 610 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 610 A C 2.205 179.832 177.584 0.072 0.000 1.181 610 A CA 1.510 53.569 52.037 0.037 0.000 0.623 610 A CB -0.671 18.348 19.000 0.032 0.000 0.818 610 A HN 0.305 nan 8.150 nan 0.000 0.443 611 L N -0.689 120.567 121.223 0.055 0.000 2.017 611 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 611 L C 2.605 179.739 176.870 0.440 0.000 1.073 611 L CA 1.237 56.203 54.840 0.210 0.000 0.745 611 L CB -0.531 41.413 42.059 -0.192 0.000 0.894 611 L HN 0.382 nan 8.230 nan 0.000 0.432 612 L N -0.658 120.748 121.223 0.306 0.000 2.046 612 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 612 L C 2.221 179.176 176.870 0.140 0.000 1.077 612 L CA 1.073 56.048 54.840 0.225 0.000 0.747 612 L CB -0.633 41.425 42.059 -0.001 0.000 0.896 612 L HN 0.274 nan 8.230 nan 0.000 0.432 613 D N -0.288 120.177 120.400 0.108 0.000 2.144 613 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 613 D C 2.305 178.690 176.300 0.142 0.000 0.984 613 D CA 1.306 55.361 54.000 0.091 0.000 0.834 613 D CB -0.058 40.780 40.800 0.063 0.000 0.955 613 D HN 0.306 nan 8.370 nan 0.000 0.465 614 M N -0.214 119.498 119.600 0.187 0.000 2.175 614 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 614 M C 2.288 178.776 176.300 0.314 0.000 1.063 614 M CA 0.972 56.397 55.300 0.208 0.000 1.119 614 M CB 0.015 32.614 32.600 -0.002 0.000 1.377 614 M HN -0.109 nan 8.290 nan 0.000 0.415 615 R N -0.154 120.510 120.500 0.273 0.000 2.066 615 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 615 R C 1.932 178.194 176.300 -0.063 0.000 1.131 615 R CA 1.985 57.999 56.100 -0.143 0.000 0.955 615 R CB -0.347 29.471 30.300 -0.804 0.000 0.851 615 R HN 0.226 nan 8.270 nan 0.000 0.432 616 T N 1.916 116.467 114.554 -0.006 0.000 2.665 616 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 616 T C 1.695 176.448 174.700 0.089 0.000 1.035 616 T CA 1.540 63.650 62.100 0.017 0.000 1.151 616 T CB -0.305 68.577 68.868 0.024 0.000 0.862 616 T HN 0.178 nan 8.240 nan 0.000 0.438 617 L N 0.727 122.039 121.223 0.148 0.000 2.012 617 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 617 L C 2.205 179.237 176.870 0.271 0.000 1.073 617 L CA 1.636 56.607 54.840 0.219 0.000 0.748 617 L CB -0.634 41.553 42.059 0.214 0.000 0.891 617 L HN 0.259 nan 8.230 nan 0.000 0.431 618 L N -1.183 120.199 121.223 0.264 0.000 2.093 618 L HA -0.218 4.121 4.340 -0.000 0.000 0.208 618 L C 2.624 179.637 176.870 0.239 0.000 1.085 618 L CA 1.263 56.271 54.840 0.280 0.000 0.755 618 L CB -0.524 41.760 42.059 0.375 0.000 0.904 618 L HN 0.383 nan 8.230 nan 0.000 0.435 619 Q N -0.096 119.830 119.800 0.209 0.000 2.170 619 Q HA -0.176 4.164 4.340 -0.000 0.000 0.203 619 Q C 1.474 177.494 176.000 0.034 0.000 0.976 619 Q CA 1.374 57.250 55.803 0.122 0.000 0.858 619 Q CB -0.129 28.639 28.738 0.050 0.000 0.907 619 Q HN 0.613 nan 8.270 nan 0.000 0.433 620 N N -0.501 118.195 118.700 -0.006 0.000 2.461 620 N HA -0.035 4.705 4.740 -0.000 0.000 0.188 620 N C -0.407 174.790 175.510 -0.522 0.000 1.134 620 N CA 0.088 53.013 53.050 -0.210 0.000 0.878 620 N CB 0.425 38.788 38.487 -0.207 0.000 0.972 620 N HN 0.164 nan 8.380 nan 0.000 0.456 621 H N -0.232 118.873 119.070 0.057 0.000 2.514 621 H HA 0.252 4.807 4.556 -0.001 0.000 0.226 621 H C -2.608 172.747 175.328 0.044 0.000 1.421 621 H CA -1.350 54.727 56.048 0.048 0.000 1.394 621 H CB 0.671 30.463 29.762 0.050 0.000 1.701 621 H HN 0.081 nan 8.280 nan 0.000 0.515 622 P HA 0.162 nan 4.420 nan 0.000 0.271 622 P C 0.261 177.599 177.300 0.063 0.000 1.218 622 P CA -0.322 62.818 63.100 0.066 0.000 0.780 622 P CB 1.068 32.790 31.700 0.038 0.000 0.901 623 R N 2.145 122.672 120.500 0.045 0.000 3.266 623 R HA 0.471 4.810 4.340 -0.000 0.000 0.224 623 R C 0.484 176.799 176.300 0.026 0.000 1.525 623 R CA 0.107 56.229 56.100 0.036 0.000 1.364 623 R CB -0.416 29.899 30.300 0.025 0.000 1.276 623 R HN 0.534 nan 8.270 nan 0.000 0.660 624 A N 0.823 123.660 122.820 0.028 0.000 2.018 624 A HA 0.158 4.478 4.320 -0.000 0.000 0.165 624 A C -0.026 177.570 177.584 0.021 0.000 1.969 624 A CA -0.037 52.013 52.037 0.020 0.000 1.528 624 A CB 0.645 19.654 19.000 0.015 0.000 1.630 624 A HN 0.363 nan 8.150 nan 0.000 0.325 625 K N 0.000 120.415 120.400 0.026 0.000 2.780 625 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 625 K CA 0.000 56.301 56.287 0.023 0.000 0.838 625 K CB 0.000 32.509 32.500 0.015 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543