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 1ndi_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 0.000 177.631 177.584 0.079 0.000 1.274 30 A CA 0.000 52.052 52.037 0.024 0.000 0.836 30 A CB 0.000 19.019 19.000 0.032 0.000 0.831 31 H N 0.220 119.283 119.070 -0.012 0.000 2.422 31 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 31 H C 1.583 176.908 175.328 -0.004 0.000 1.098 31 H CA 1.438 57.485 56.048 -0.002 0.000 1.315 31 H CB 0.209 29.976 29.762 0.008 0.000 1.382 31 H HN 0.427 nan 8.280 nan 0.000 0.523 32 Q N 0.435 120.220 119.800 -0.025 0.000 2.368 32 Q HA -0.129 4.210 4.340 -0.000 0.000 0.210 32 Q C 1.091 177.001 176.000 -0.150 0.000 0.982 32 Q CA 0.885 56.616 55.803 -0.119 0.000 0.884 32 Q CB -0.097 28.599 28.738 -0.070 0.000 0.933 32 Q HN 0.712 nan 8.270 nan 0.000 0.460 33 D N -0.572 119.780 120.400 -0.081 0.000 2.349 33 D HA 0.076 4.716 4.640 -0.000 0.000 0.224 33 D C 1.113 177.395 176.300 -0.030 0.000 1.029 33 D CA 0.536 54.491 54.000 -0.075 0.000 0.879 33 D CB 0.550 41.325 40.800 -0.042 0.000 0.906 33 D HN 0.216 nan 8.370 nan 0.000 0.528 34 A N 0.224 123.043 122.820 -0.002 0.000 1.999 34 A HA 0.174 4.494 4.320 -0.000 0.000 0.200 34 A C 1.107 178.695 177.584 0.006 0.000 1.363 34 A CA -0.245 51.813 52.037 0.035 0.000 0.844 34 A CB -0.091 18.982 19.000 0.123 0.000 0.954 34 A HN 0.071 nan 8.150 nan 0.000 0.481 35 L N 2.572 123.759 121.223 -0.059 0.000 2.628 35 L HA 0.034 4.374 4.340 -0.000 0.000 0.292 35 L C -1.711 175.167 176.870 0.014 0.000 1.250 35 L CA -0.939 53.863 54.840 -0.064 0.000 0.892 35 L CB -0.081 41.914 42.059 -0.106 0.000 1.138 35 L HN 0.298 nan 8.230 nan 0.000 0.502 36 P HA 0.111 nan 4.420 nan 0.000 0.271 36 P C -0.824 176.623 177.300 0.245 0.000 1.244 36 P CA -0.409 62.754 63.100 0.105 0.000 0.793 36 P CB 0.708 32.445 31.700 0.061 0.000 0.984 37 R N 0.125 120.793 120.500 0.280 0.000 2.604 37 R HA 0.430 4.770 4.340 -0.000 0.000 0.287 37 R C -0.461 176.001 176.300 0.269 0.000 0.970 37 R CA -1.213 55.053 56.100 0.276 0.000 0.946 37 R CB -0.027 30.384 30.300 0.186 0.000 1.127 37 R HN 0.356 nan 8.270 nan 0.000 0.473 38 L N 5.818 127.093 121.223 0.088 0.000 2.660 38 L HA 0.099 4.438 4.340 -0.000 0.000 0.272 38 L C -1.967 174.902 176.870 -0.001 0.000 1.194 38 L CA -0.239 54.460 54.840 -0.235 0.000 0.945 38 L CB 0.030 41.870 42.059 -0.366 0.000 1.212 38 L HN 0.561 nan 8.230 nan 0.000 0.490 39 P HA 0.178 nan 4.420 nan 0.000 0.282 39 P C -1.275 176.070 177.300 0.076 0.000 1.259 39 P CA -0.492 62.621 63.100 0.022 0.000 0.826 39 P CB 1.490 33.183 31.700 -0.013 0.000 1.064 40 V N 3.351 123.207 119.914 -0.097 0.000 2.304 40 V HA 0.212 4.331 4.120 -0.000 0.000 0.269 40 V C -1.952 173.955 176.094 -0.312 0.000 1.036 40 V CA -1.649 60.440 62.300 -0.351 0.000 0.840 40 V CB 0.184 31.684 31.823 -0.538 0.000 1.036 40 V HN 0.556 nan 8.190 nan 0.000 0.466 41 P HA 0.136 nan 4.420 nan 0.000 0.267 41 P C -2.640 174.622 177.300 -0.063 0.000 1.201 41 P CA -0.868 62.142 63.100 -0.150 0.000 0.775 41 P CB -0.196 31.492 31.700 -0.020 0.000 0.854 42 P HA 0.017 nan 4.420 nan 0.000 0.271 42 P C 0.852 178.193 177.300 0.069 0.000 1.226 42 P CA -0.184 62.924 63.100 0.014 0.000 0.765 42 P CB 0.312 32.004 31.700 -0.013 0.000 0.835 43 L N 4.444 125.708 121.223 0.068 0.000 1.987 43 L HA -0.288 4.052 4.340 -0.000 0.000 0.230 43 L C 1.818 178.664 176.870 -0.040 0.000 1.089 43 L CA 2.098 56.947 54.840 0.015 0.000 0.802 43 L CB -1.331 40.697 42.059 -0.052 0.000 0.905 43 L HN 0.466 nan 8.230 nan 0.000 0.441 44 Q N -1.248 118.528 119.800 -0.041 0.000 2.557 44 Q HA -0.196 4.144 4.340 -0.000 0.000 0.217 44 Q C 1.763 177.739 176.000 -0.039 0.000 0.978 44 Q CA 0.761 56.542 55.803 -0.037 0.000 0.950 44 Q CB 0.004 28.728 28.738 -0.023 0.000 0.991 44 Q HN 0.692 nan 8.270 nan 0.000 0.533 45 Q N -0.946 118.807 119.800 -0.078 0.000 2.287 45 Q HA -0.011 4.328 4.340 -0.000 0.000 0.201 45 Q C 1.647 177.440 176.000 -0.345 0.000 0.946 45 Q CA 0.734 56.425 55.803 -0.188 0.000 0.868 45 Q CB 0.293 28.904 28.738 -0.212 0.000 0.967 45 Q HN 0.174 nan 8.270 nan 0.000 0.516 46 S N 1.067 116.639 115.700 -0.212 0.000 2.447 46 S HA -0.025 4.445 4.470 -0.000 0.000 0.233 46 S C 1.785 176.281 174.600 -0.173 0.000 1.006 46 S CA 0.733 58.840 58.200 -0.154 0.000 0.957 46 S CB -0.047 63.127 63.200 -0.043 0.000 0.773 46 S HN 0.338 nan 8.310 nan 0.000 0.507 47 L N 0.724 121.878 121.223 -0.116 0.000 2.209 47 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 47 L C 2.248 179.138 176.870 0.033 0.000 1.094 47 L CA 0.983 55.793 54.840 -0.051 0.000 0.790 47 L CB -0.350 41.689 42.059 -0.032 0.000 0.932 47 L HN 0.200 nan 8.230 nan 0.000 0.447 48 D N -0.902 119.532 120.400 0.057 0.000 2.137 48 D HA -0.195 4.445 4.640 -0.000 0.000 0.202 48 D C 2.090 178.526 176.300 0.227 0.000 0.970 48 D CA 1.214 55.304 54.000 0.151 0.000 0.837 48 D CB 0.089 41.001 40.800 0.188 0.000 0.981 48 D HN 0.117 nan 8.370 nan 0.000 0.475 49 Y N -0.303 119.942 120.300 -0.092 0.000 2.181 49 Y HA -0.147 4.402 4.550 -0.000 0.000 0.288 49 Y C 2.147 177.857 175.900 -0.316 0.000 1.146 49 Y CA 0.756 58.767 58.100 -0.148 0.000 1.164 49 Y CB -1.440 36.949 38.460 -0.118 0.000 0.982 49 Y HN 0.119 nan 8.280 nan 0.000 0.515 50 Y N 0.490 120.437 120.300 -0.588 0.000 2.040 50 Y HA -0.311 4.238 4.550 -0.000 0.000 0.275 50 Y C 2.282 178.110 175.900 -0.120 0.000 1.171 50 Y CA 1.727 59.447 58.100 -0.634 0.000 1.123 50 Y CB -0.885 37.317 38.460 -0.430 0.000 0.963 50 Y HN 0.051 nan 8.280 nan 0.000 0.493 51 L N -0.098 121.123 121.223 -0.002 0.000 2.042 51 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 51 L C 2.511 179.539 176.870 0.264 0.000 1.076 51 L CA 1.900 56.802 54.840 0.104 0.000 0.749 51 L CB -0.601 41.567 42.059 0.181 0.000 0.893 51 L HN 0.190 nan 8.230 nan 0.000 0.432 52 K N -0.015 120.481 120.400 0.161 0.000 2.057 52 K HA -0.141 4.178 4.320 -0.000 0.000 0.207 52 K C 2.207 178.861 176.600 0.089 0.000 1.049 52 K CA 1.361 57.714 56.287 0.110 0.000 0.931 52 K CB -0.240 32.292 32.500 0.054 0.000 0.714 52 K HN 0.291 nan 8.250 nan 0.000 0.440 53 A N 1.087 123.972 122.820 0.109 0.000 1.969 53 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 53 A C 2.035 179.685 177.584 0.110 0.000 1.169 53 A CA 1.114 53.257 52.037 0.177 0.000 0.635 53 A CB -0.412 18.809 19.000 0.368 0.000 0.810 53 A HN 0.150 nan 8.150 nan 0.000 0.445 54 L N -1.287 119.959 121.223 0.037 0.000 2.179 54 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 54 L C 2.664 179.574 176.870 0.066 0.000 1.096 54 L CA 1.240 56.102 54.840 0.035 0.000 0.779 54 L CB -0.477 41.568 42.059 -0.023 0.000 0.922 54 L HN 0.547 nan 8.230 nan 0.000 0.443 55 Q N 0.572 120.387 119.800 0.025 0.000 2.207 55 Q HA -0.246 4.094 4.340 -0.000 0.000 0.215 55 Q C -0.776 175.166 176.000 -0.098 0.000 1.006 55 Q CA 2.574 58.272 55.803 -0.175 0.000 0.903 55 Q CB -0.603 27.995 28.738 -0.234 0.000 0.947 55 Q HN 0.362 nan 8.270 nan 0.000 0.414 56 P HA 0.016 nan 4.420 nan 0.000 0.252 56 P C 0.895 178.227 177.300 0.054 0.000 1.218 56 P CA 0.810 63.920 63.100 0.017 0.000 0.807 56 P CB 0.015 31.737 31.700 0.036 0.000 1.072 57 I N -2.704 117.900 120.570 0.057 0.000 4.018 57 I HA 0.201 4.371 4.170 -0.000 0.000 0.337 57 I C 0.515 176.668 176.117 0.060 0.000 1.327 57 I CA -0.418 60.921 61.300 0.066 0.000 1.100 57 I CB 0.492 38.529 38.000 0.061 0.000 1.025 57 I HN -0.304 nan 8.210 nan 0.000 0.396 58 V N -0.881 119.072 119.914 0.065 0.000 3.126 58 V HA 0.732 4.852 4.120 -0.000 0.000 0.314 58 V C 0.343 176.486 176.094 0.082 0.000 1.138 58 V CA -0.311 62.038 62.300 0.081 0.000 1.034 58 V CB 1.301 33.193 31.823 0.116 0.000 1.075 58 V HN 0.303 nan 8.190 nan 0.000 0.442 59 S N -0.310 115.446 115.700 0.093 0.000 2.669 59 S HA 0.371 4.841 4.470 -0.000 0.000 0.270 59 S C 0.631 175.305 174.600 0.123 0.000 1.225 59 S CA 0.071 58.321 58.200 0.083 0.000 0.991 59 S CB 0.945 64.187 63.200 0.071 0.000 0.987 59 S HN 0.823 nan 8.310 nan 0.000 0.552 60 E N 0.307 120.562 120.200 0.092 0.000 2.338 60 E HA -0.128 4.221 4.350 -0.000 0.000 0.197 60 E C 1.335 178.046 176.600 0.185 0.000 1.007 60 E CA 1.117 57.592 56.400 0.125 0.000 0.849 60 E CB -0.071 29.666 29.700 0.061 0.000 0.774 60 E HN 0.687 nan 8.360 nan 0.000 0.506 61 E N 0.696 120.977 120.200 0.135 0.000 2.140 61 E HA -0.074 4.275 4.350 -0.000 0.000 0.191 61 E C 1.595 178.282 176.600 0.145 0.000 0.973 61 E CA 0.654 57.123 56.400 0.115 0.000 0.829 61 E CB 0.118 29.855 29.700 0.062 0.000 0.781 61 E HN 0.248 nan 8.360 nan 0.000 0.466 62 E N -0.414 119.882 120.200 0.160 0.000 2.107 62 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 62 E C 1.576 178.286 176.600 0.184 0.000 0.982 62 E CA 0.658 57.160 56.400 0.169 0.000 0.809 62 E CB -0.142 29.637 29.700 0.132 0.000 0.756 62 E HN 0.285 nan 8.360 nan 0.000 0.459 63 W N 1.730 123.051 121.300 0.036 0.000 2.380 63 W HA -0.117 4.543 4.660 -0.000 0.000 0.317 63 W C 2.473 179.013 176.519 0.035 0.000 1.196 63 W CA 2.003 59.353 57.345 0.009 0.000 1.307 63 W CB -0.476 28.980 29.460 -0.007 0.000 1.157 63 W HN 0.005 nan 8.180 nan 0.000 0.483 64 A N -0.709 122.298 122.820 0.312 0.000 2.042 64 A HA -0.339 3.981 4.320 -0.000 0.000 0.222 64 A C 1.974 179.544 177.584 -0.022 0.000 1.167 64 A CA 2.212 54.320 52.037 0.118 0.000 0.649 64 A CB -1.444 17.704 19.000 0.247 0.000 0.809 64 A HN 0.744 nan 8.150 nan 0.000 0.457 65 H N -1.050 117.968 119.070 -0.088 0.000 2.294 65 H HA -0.080 4.476 4.556 -0.001 0.000 0.306 65 H C 2.171 177.399 175.328 -0.168 0.000 1.065 65 H CA 1.402 57.392 56.048 -0.096 0.000 1.343 65 H CB 0.145 29.880 29.762 -0.045 0.000 1.396 65 H HN 0.454 nan 8.280 nan 0.000 0.506 66 T N 1.058 115.475 114.554 -0.229 0.000 2.778 66 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 66 T C 1.869 176.344 174.700 -0.376 0.000 1.050 66 T CA 1.699 63.605 62.100 -0.323 0.000 1.137 66 T CB -0.196 68.523 68.868 -0.247 0.000 0.860 66 T HN 0.217 nan 8.240 nan 0.000 0.468 67 K N 1.336 121.409 120.400 -0.545 0.000 1.991 67 K HA -0.128 4.192 4.320 -0.000 0.000 0.212 67 K C 2.436 178.864 176.600 -0.287 0.000 1.049 67 K CA 1.483 57.429 56.287 -0.569 0.000 0.932 67 K CB -0.452 31.583 32.500 -0.775 0.000 0.717 67 K HN 0.165 nan 8.250 nan 0.000 0.441 68 Q N 0.365 120.043 119.800 -0.202 0.000 2.030 68 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 68 Q C 2.343 178.270 176.000 -0.121 0.000 0.986 68 Q CA 1.754 57.491 55.803 -0.110 0.000 0.843 68 Q CB -0.466 28.257 28.738 -0.026 0.000 0.904 68 Q HN 0.384 nan 8.270 nan 0.000 0.420 69 L N 0.047 121.154 121.223 -0.194 0.000 2.051 69 L HA -0.223 4.117 4.340 -0.000 0.000 0.214 69 L C 2.434 179.206 176.870 -0.163 0.000 1.076 69 L CA 1.028 55.733 54.840 -0.225 0.000 0.758 69 L CB -0.549 41.291 42.059 -0.364 0.000 0.890 69 L HN 0.056 nan 8.230 nan 0.000 0.433 70 V N -0.966 118.859 119.914 -0.149 0.000 2.453 70 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 70 V C 1.980 178.073 176.094 -0.002 0.000 1.048 70 V CA 1.559 63.824 62.300 -0.058 0.000 1.049 70 V CB -0.440 31.346 31.823 -0.063 0.000 0.672 70 V HN 0.380 nan 8.190 nan 0.000 0.457 71 D N 0.036 120.408 120.400 -0.047 0.000 2.144 71 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 71 D C 2.072 178.363 176.300 -0.015 0.000 0.978 71 D CA 1.075 55.055 54.000 -0.033 0.000 0.833 71 D CB -0.028 40.744 40.800 -0.046 0.000 0.961 71 D HN 0.451 nan 8.370 nan 0.000 0.470 72 E N -1.216 118.981 120.200 -0.005 0.000 2.476 72 E HA 0.016 4.365 4.350 -0.000 0.000 0.191 72 E C 0.988 177.622 176.600 0.057 0.000 1.064 72 E CA -0.015 56.389 56.400 0.006 0.000 0.866 72 E CB -0.120 29.578 29.700 -0.004 0.000 0.952 72 E HN 0.146 nan 8.360 nan 0.000 0.492 73 F N 0.707 120.581 119.950 -0.127 0.000 2.490 73 F HA 0.131 4.658 4.527 -0.000 0.000 0.280 73 F C 1.653 177.379 175.800 -0.123 0.000 1.030 73 F CA 0.769 58.681 58.000 -0.147 0.000 1.367 73 F CB -0.090 38.783 39.000 -0.211 0.000 1.131 73 F HN 0.065 nan 8.300 nan 0.000 0.632 74 Q N 0.523 120.256 119.800 -0.112 0.000 2.515 74 Q HA 0.051 4.391 4.340 -0.000 0.000 0.214 74 Q C 1.025 176.932 176.000 -0.156 0.000 0.971 74 Q CA 0.649 56.342 55.803 -0.183 0.000 0.952 74 Q CB -0.759 27.933 28.738 -0.078 0.000 0.999 74 Q HN 0.295 nan 8.270 nan 0.000 0.524 75 T N -0.215 114.254 114.554 -0.143 0.000 2.681 75 T HA 0.081 4.431 4.350 -0.000 0.000 0.333 75 T C -0.110 174.516 174.700 -0.124 0.000 1.049 75 T CA -0.084 61.953 62.100 -0.105 0.000 1.002 75 T CB 0.985 69.805 68.868 -0.080 0.000 1.161 75 T HN 0.325 nan 8.240 nan 0.000 0.519 76 S N -1.180 114.465 115.700 -0.091 0.000 2.489 76 S HA 0.538 5.008 4.470 -0.000 0.000 0.291 76 S C 1.176 175.727 174.600 -0.081 0.000 1.151 76 S CA 0.377 58.526 58.200 -0.085 0.000 1.082 76 S CB 0.307 63.471 63.200 -0.061 0.000 1.019 76 S HN 1.403 nan 8.310 nan 0.000 0.492 77 G N 3.237 111.986 108.800 -0.085 0.000 2.353 77 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.258 77 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.258 77 G C 0.717 175.565 174.900 -0.086 0.000 1.013 77 G CA 0.375 45.432 45.100 -0.072 0.000 0.622 77 G HN 1.264 nan 8.290 nan 0.000 0.535 78 G N -0.611 108.122 108.800 -0.111 0.000 2.716 78 G HA2 0.440 4.400 3.960 -0.000 0.000 0.251 78 G HA3 0.440 4.400 3.960 -0.000 0.000 0.251 78 G C 1.342 176.134 174.900 -0.180 0.000 1.224 78 G CA 0.561 45.585 45.100 -0.127 0.000 0.891 78 G HN 0.895 nan 8.290 nan 0.000 0.561 79 V N 1.411 121.227 119.914 -0.164 0.000 2.568 79 V HA -0.145 3.974 4.120 -0.000 0.000 0.253 79 V C 2.934 178.760 176.094 -0.446 0.000 1.072 79 V CA 2.186 64.392 62.300 -0.157 0.000 1.084 79 V CB -1.366 30.509 31.823 0.087 0.000 0.676 79 V HN 0.853 nan 8.190 nan 0.000 0.469 80 G N 0.464 108.742 108.800 -0.871 0.000 2.604 80 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 80 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 80 G C 1.214 175.838 174.900 -0.461 0.000 1.265 80 G CA 0.634 45.102 45.100 -1.054 0.000 0.804 80 G HN 0.582 nan 8.290 nan 0.000 0.579 81 E N 0.132 120.143 120.200 -0.315 0.000 2.520 81 E HA 0.024 4.374 4.350 -0.000 0.000 0.201 81 E C 2.156 178.673 176.600 -0.138 0.000 1.122 81 E CA -0.039 56.250 56.400 -0.184 0.000 0.896 81 E CB 0.195 29.810 29.700 -0.142 0.000 0.891 81 E HN 0.378 nan 8.360 nan 0.000 0.533 82 R N 0.232 120.641 120.500 -0.151 0.000 2.167 82 R HA 0.098 4.438 4.340 -0.000 0.000 0.201 82 R C 1.862 178.126 176.300 -0.060 0.000 1.024 82 R CA 0.290 56.335 56.100 -0.091 0.000 1.053 82 R CB 0.317 30.568 30.300 -0.082 0.000 0.987 82 R HN 0.102 nan 8.270 nan 0.000 0.493 83 L N 0.019 121.203 121.223 -0.066 0.000 2.202 83 L HA 0.105 4.444 4.340 -0.000 0.000 0.205 83 L C 2.303 179.166 176.870 -0.012 0.000 1.083 83 L CA 0.526 55.364 54.840 -0.003 0.000 0.790 83 L CB -0.341 41.750 42.059 0.054 0.000 0.942 83 L HN 0.179 nan 8.230 nan 0.000 0.452 84 Q N 1.262 121.033 119.800 -0.048 0.000 2.181 84 Q HA -0.256 4.084 4.340 -0.000 0.000 0.205 84 Q C 2.033 177.991 176.000 -0.071 0.000 0.980 84 Q CA 1.817 57.599 55.803 -0.036 0.000 0.862 84 Q CB -0.017 28.690 28.738 -0.053 0.000 0.905 84 Q HN 0.153 nan 8.270 nan 0.000 0.429 85 K N -0.868 119.491 120.400 -0.068 0.000 2.062 85 K HA 0.033 4.353 4.320 -0.000 0.000 0.205 85 K C 1.863 178.426 176.600 -0.062 0.000 1.051 85 K CA 1.357 57.604 56.287 -0.067 0.000 0.941 85 K CB -0.815 31.651 32.500 -0.056 0.000 0.719 85 K HN 0.355 nan 8.250 nan 0.000 0.440 86 G N 0.136 108.914 108.800 -0.037 0.000 2.498 86 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.219 86 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.219 86 G C 1.309 176.183 174.900 -0.042 0.000 1.119 86 G CA 0.733 45.825 45.100 -0.013 0.000 0.766 86 G HN 0.234 nan 8.290 nan 0.000 0.552 87 L N -0.686 120.474 121.223 -0.106 0.000 2.221 87 L HA 0.152 4.491 4.340 -0.000 0.000 0.202 87 L C 2.673 179.348 176.870 -0.325 0.000 1.074 87 L CA 0.538 55.220 54.840 -0.264 0.000 0.795 87 L CB -0.193 41.639 42.059 -0.377 0.000 0.960 87 L HN 0.182 nan 8.230 nan 0.000 0.458 88 E N 0.053 120.112 120.200 -0.235 0.000 2.268 88 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 88 E C 2.147 178.668 176.600 -0.131 0.000 0.995 88 E CA 0.671 56.955 56.400 -0.194 0.000 0.836 88 E CB 0.139 29.756 29.700 -0.139 0.000 0.763 88 E HN 0.384 nan 8.360 nan 0.000 0.491 89 R N 0.088 120.524 120.500 -0.107 0.000 2.112 89 R HA 0.089 4.429 4.340 -0.000 0.000 0.216 89 R C 2.329 178.587 176.300 -0.070 0.000 1.080 89 R CA 0.323 56.380 56.100 -0.070 0.000 0.996 89 R CB -0.076 30.195 30.300 -0.049 0.000 0.902 89 R HN 0.007 nan 8.270 nan 0.000 0.449 90 R N 1.315 121.758 120.500 -0.096 0.000 2.073 90 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 90 R C 2.109 178.371 176.300 -0.062 0.000 1.134 90 R CA 1.691 57.735 56.100 -0.093 0.000 0.952 90 R CB -0.268 29.947 30.300 -0.141 0.000 0.850 90 R HN 0.188 nan 8.270 nan 0.000 0.433 91 A N 1.097 123.864 122.820 -0.090 0.000 2.024 91 A HA -0.158 4.161 4.320 -0.000 0.000 0.220 91 A C 1.800 179.390 177.584 0.010 0.000 1.164 91 A CA 1.515 53.553 52.037 0.001 0.000 0.643 91 A CB -0.269 18.693 19.000 -0.063 0.000 0.806 91 A HN 0.379 nan 8.150 nan 0.000 0.451 92 K N -0.341 120.046 120.400 -0.022 0.000 2.432 92 K HA -0.052 4.268 4.320 -0.000 0.000 0.196 92 K C 1.059 177.658 176.600 -0.002 0.000 1.038 92 K CA 1.271 57.553 56.287 -0.009 0.000 0.986 92 K CB 0.028 32.516 32.500 -0.020 0.000 0.782 92 K HN 0.729 nan 8.250 nan 0.000 0.485 93 K N -0.233 120.163 120.400 -0.005 0.000 2.506 93 K HA 0.268 4.588 4.320 -0.000 0.000 0.204 93 K C 0.076 176.676 176.600 0.000 0.000 1.045 93 K CA -0.104 56.180 56.287 -0.004 0.000 1.074 93 K CB 0.526 33.018 32.500 -0.013 0.000 0.842 93 K HN -0.080 nan 8.250 nan 0.000 0.514 94 M N 0.411 120.020 119.600 0.015 0.000 2.716 94 M HA 0.263 4.742 4.480 -0.000 0.000 0.278 94 M C 0.160 176.494 176.300 0.056 0.000 1.281 94 M CA -0.870 54.443 55.300 0.021 0.000 0.814 94 M CB 2.075 34.673 32.600 -0.003 0.000 1.719 94 M HN -0.130 nan 8.290 nan 0.000 0.457 95 E N 1.196 121.437 120.200 0.068 0.000 2.005 95 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 95 E C 0.273 176.936 176.600 0.105 0.000 0.987 95 E CA 1.125 57.610 56.400 0.142 0.000 0.814 95 E CB -0.026 29.791 29.700 0.194 0.000 0.772 95 E HN 0.516 nan 8.360 nan 0.000 0.453 96 N N 0.482 119.175 118.700 -0.011 0.000 2.504 96 N HA 0.003 4.743 4.740 -0.000 0.000 0.280 96 N C 0.775 176.203 175.510 -0.136 0.000 1.052 96 N CA -0.405 52.574 53.050 -0.119 0.000 0.887 96 N CB 0.865 39.206 38.487 -0.243 0.000 1.323 96 N HN 0.259 nan 8.380 nan 0.000 0.509 97 W N 3.930 125.149 121.300 -0.135 0.000 2.341 97 W HA -0.149 4.511 4.660 -0.000 0.000 0.283 97 W C 0.453 176.833 176.519 -0.232 0.000 1.215 97 W CA 0.308 57.528 57.345 -0.210 0.000 1.211 97 W CB -0.255 29.096 29.460 -0.182 0.000 1.131 97 W HN 0.405 nan 8.180 nan 0.000 0.552 98 L N 2.063 122.832 121.223 -0.756 0.000 2.416 98 L HA 0.054 4.394 4.340 -0.000 0.000 0.216 98 L C 2.466 179.235 176.870 -0.167 0.000 1.098 98 L CA 1.343 55.837 54.840 -0.577 0.000 0.840 98 L CB -0.710 40.704 42.059 -1.076 0.000 0.981 98 L HN -0.149 nan 8.230 nan 0.000 0.462 99 S N 0.524 116.108 115.700 -0.193 0.000 2.433 99 S HA -0.384 4.086 4.470 -0.000 0.000 0.283 99 S C 1.678 176.315 174.600 0.061 0.000 1.059 99 S CA 2.277 60.442 58.200 -0.057 0.000 1.483 99 S CB -0.751 62.396 63.200 -0.088 0.000 1.307 99 S HN 0.584 nan 8.310 nan 0.000 0.447 100 E N -0.158 120.058 120.200 0.027 0.000 2.114 100 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 100 E C 1.944 178.686 176.600 0.236 0.000 1.008 100 E CA 1.509 57.963 56.400 0.089 0.000 0.810 100 E CB -0.201 29.519 29.700 0.033 0.000 0.739 100 E HN 0.549 nan 8.360 nan 0.000 0.456 101 W N 0.308 121.660 121.300 0.086 0.000 2.338 101 W HA -0.165 4.495 4.660 -0.000 0.000 0.304 101 W C 2.071 178.676 176.519 0.144 0.000 1.212 101 W CA 0.495 57.907 57.345 0.112 0.000 1.264 101 W CB -1.072 28.480 29.460 0.152 0.000 1.142 101 W HN 0.309 nan 8.180 nan 0.000 0.512 102 W N 0.131 121.521 121.300 0.151 0.000 2.444 102 W HA -0.156 4.503 4.660 -0.001 0.000 0.308 102 W C 2.134 178.651 176.519 -0.003 0.000 1.183 102 W CA 0.849 58.206 57.345 0.019 0.000 1.340 102 W CB -0.690 28.751 29.460 -0.031 0.000 1.138 102 W HN -0.222 nan 8.180 nan 0.000 0.510 103 L N 2.350 123.617 121.223 0.074 0.000 2.137 103 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 103 L C 2.333 179.176 176.870 -0.045 0.000 1.085 103 L CA 2.357 57.209 54.840 0.019 0.000 0.760 103 L CB -1.001 41.122 42.059 0.107 0.000 0.893 103 L HN -0.063 nan 8.230 nan 0.000 0.434 104 K N -1.797 118.591 120.400 -0.020 0.000 2.166 104 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 104 K C 1.814 178.341 176.600 -0.122 0.000 1.052 104 K CA 1.292 57.565 56.287 -0.023 0.000 0.969 104 K CB 0.012 32.544 32.500 0.053 0.000 0.761 104 K HN 0.376 nan 8.250 nan 0.000 0.459 105 T N 0.630 115.073 114.554 -0.186 0.000 2.821 105 T HA -0.041 4.308 4.350 -0.000 0.000 0.267 105 T C 1.711 176.104 174.700 -0.512 0.000 1.046 105 T CA 1.320 63.267 62.100 -0.254 0.000 1.139 105 T CB -0.029 68.751 68.868 -0.148 0.000 0.871 105 T HN 0.339 nan 8.240 nan 0.000 0.454 106 A N -0.947 121.280 122.820 -0.990 0.000 2.095 106 A HA 0.318 4.638 4.320 -0.000 0.000 0.212 106 A C 1.354 178.110 177.584 -1.380 0.000 1.162 106 A CA 0.427 51.577 52.037 -1.478 0.000 0.753 106 A CB -0.084 17.426 19.000 -2.484 0.000 0.840 106 A HN 0.614 nan 8.150 nan 0.000 0.468 107 Y N -1.916 118.146 120.300 -0.397 0.000 3.208 107 Y HA 0.268 4.817 4.550 -0.001 0.000 0.205 107 Y C 1.851 177.703 175.900 -0.079 0.000 0.923 107 Y CA -0.413 57.547 58.100 -0.233 0.000 1.596 107 Y CB -0.057 38.258 38.460 -0.241 0.000 1.478 107 Y HN -0.028 nan 8.280 nan 0.000 0.409 108 L N 0.714 121.994 121.223 0.095 0.000 2.129 108 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 108 L C 1.852 178.745 176.870 0.039 0.000 1.087 108 L CA 1.759 56.636 54.840 0.061 0.000 0.757 108 L CB -0.460 41.626 42.059 0.045 0.000 0.896 108 L HN 0.451 nan 8.230 nan 0.000 0.434 109 Q N -1.105 118.705 119.800 0.017 0.000 2.408 109 Q HA 0.013 4.353 4.340 -0.000 0.000 0.205 109 Q C 0.132 176.149 176.000 0.030 0.000 0.919 109 Q CA -0.204 55.604 55.803 0.008 0.000 0.932 109 Q CB 0.369 29.097 28.738 -0.017 0.000 1.058 109 Q HN 0.211 nan 8.270 nan 0.000 0.517 110 F N 1.801 121.680 119.950 -0.118 0.000 2.487 110 F HA 0.030 4.557 4.527 -0.001 0.000 0.364 110 F C 0.809 176.535 175.800 -0.124 0.000 1.126 110 F CA 0.051 57.973 58.000 -0.129 0.000 1.135 110 F CB 0.465 39.382 39.000 -0.138 0.000 1.127 110 F HN -0.135 nan 8.300 nan 0.000 0.559 111 R N 2.522 122.757 120.500 -0.441 0.000 2.297 111 R HA 0.075 4.414 4.340 -0.000 0.000 0.197 111 R C 0.513 176.294 176.300 -0.864 0.000 0.943 111 R CA 0.193 56.020 56.100 -0.455 0.000 1.038 111 R CB -0.346 29.806 30.300 -0.246 0.000 0.957 111 R HN 0.595 nan 8.270 nan 0.000 0.484 112 Q N 1.320 120.534 119.800 -0.977 0.000 2.417 112 Q HA 0.220 4.560 4.340 -0.000 0.000 0.241 112 Q C -2.146 173.701 176.000 -0.256 0.000 1.008 112 Q CA -1.935 53.430 55.803 -0.731 0.000 0.901 112 Q CB 0.152 28.424 28.738 -0.777 0.000 1.259 112 Q HN -0.060 nan 8.270 nan 0.000 0.489 113 P HA -0.132 nan 4.420 nan 0.000 0.266 113 P C 0.792 178.172 177.300 0.133 0.000 1.186 113 P CA 0.340 63.459 63.100 0.032 0.000 0.767 113 P CB 0.418 32.140 31.700 0.037 0.000 0.820 114 V N 0.799 120.722 119.914 0.016 0.000 2.788 114 V HA -0.019 4.101 4.120 -0.000 0.000 0.251 114 V C 0.831 176.884 176.094 -0.069 0.000 1.068 114 V CA 0.694 63.021 62.300 0.044 0.000 1.090 114 V CB -0.714 31.121 31.823 0.021 0.000 0.710 114 V HN 0.148 nan 8.190 nan 0.000 0.467 115 V N 2.661 122.424 119.914 -0.252 0.000 2.509 115 V HA 0.133 4.252 4.120 -0.000 0.000 0.297 115 V C 1.399 177.253 176.094 -0.399 0.000 1.014 115 V CA 1.305 63.359 62.300 -0.410 0.000 1.127 115 V CB -0.293 31.098 31.823 -0.720 0.000 0.925 115 V HN 0.645 nan 8.190 nan 0.000 0.480 116 I N 1.551 121.979 120.570 -0.237 0.000 4.327 116 I HA -0.431 3.739 4.170 -0.000 0.000 0.074 116 I C 1.393 177.449 176.117 -0.102 0.000 0.569 116 I CA 1.928 63.098 61.300 -0.218 0.000 1.123 116 I CB -1.352 36.344 38.000 -0.507 0.000 1.000 116 I HN 0.621 nan 8.210 nan 0.000 0.171 117 Y N -0.107 120.269 120.300 0.126 0.000 2.519 117 Y HA 0.024 4.574 4.550 -0.001 0.000 0.287 117 Y C 2.431 178.367 175.900 0.059 0.000 1.128 117 Y CA 1.068 59.263 58.100 0.158 0.000 1.282 117 Y CB 0.101 38.709 38.460 0.247 0.000 1.027 117 Y HN 0.345 nan 8.280 nan 0.000 0.551 118 S N -1.356 114.426 115.700 0.136 0.000 3.186 118 S HA 0.105 4.575 4.470 -0.000 0.000 0.253 118 S C 0.582 175.193 174.600 0.017 0.000 1.071 118 S CA -0.243 57.983 58.200 0.042 0.000 0.796 118 S CB -0.367 62.864 63.200 0.051 0.000 0.818 118 S HN 0.070 nan 8.310 nan 0.000 0.498 119 S N 4.279 119.943 115.700 -0.059 0.000 2.429 119 S HA 0.387 4.857 4.470 -0.000 0.000 0.292 119 S C -2.657 171.823 174.600 -0.200 0.000 1.183 119 S CA -0.665 57.393 58.200 -0.236 0.000 1.088 119 S CB 0.847 63.955 63.200 -0.153 0.000 1.018 119 S HN 0.380 nan 8.310 nan 0.000 0.511 120 P HA 0.206 nan 4.420 nan 0.000 0.268 120 P C 0.365 177.597 177.300 -0.113 0.000 1.205 120 P CA 0.053 63.139 63.100 -0.024 0.000 0.771 120 P CB 0.501 32.296 31.700 0.159 0.000 0.858 121 G N 1.100 109.668 108.800 -0.386 0.000 2.491 121 G HA2 0.614 4.573 3.960 -0.000 0.000 0.327 121 G HA3 0.614 4.573 3.960 -0.000 0.000 0.327 121 G C -1.300 172.908 174.900 -1.153 0.000 1.189 121 G CA -0.525 44.170 45.100 -0.674 0.000 0.956 121 G HN 0.375 nan 8.290 nan 0.000 0.491 122 V N 0.325 119.820 119.914 -0.698 0.000 2.971 122 V HA 0.460 4.580 4.120 -0.000 0.000 0.309 122 V C -0.651 175.457 176.094 0.024 0.000 1.130 122 V CA -0.598 61.470 62.300 -0.387 0.000 0.964 122 V CB 2.136 33.820 31.823 -0.231 0.000 1.029 122 V HN 0.663 nan 8.190 nan 0.000 0.427 123 I N 4.135 124.836 120.570 0.218 0.000 2.382 123 I HA 0.445 4.615 4.170 -0.000 0.000 0.286 123 I C -0.522 175.662 176.117 0.112 0.000 1.002 123 I CA -0.304 61.123 61.300 0.210 0.000 1.135 123 I CB 1.538 39.685 38.000 0.246 0.000 1.288 123 I HN 0.393 nan 8.210 nan 0.000 0.448 124 L N 7.297 128.572 121.223 0.087 0.000 2.431 124 L HA 0.509 4.848 4.340 -0.000 0.000 0.260 124 L C -2.166 174.745 176.870 0.069 0.000 1.098 124 L CA -1.851 53.036 54.840 0.079 0.000 0.800 124 L CB 0.301 42.426 42.059 0.109 0.000 1.210 124 L HN 0.271 nan 8.230 nan 0.000 0.465 125 P HA -0.005 nan 4.420 nan 0.000 0.268 125 P C -0.974 176.322 177.300 -0.007 0.000 1.208 125 P CA -0.254 62.867 63.100 0.034 0.000 0.777 125 P CB 0.439 32.161 31.700 0.036 0.000 0.875 126 K N 2.440 122.826 120.400 -0.025 0.000 2.319 126 K HA 0.068 4.387 4.320 -0.000 0.000 0.265 126 K C 0.400 176.903 176.600 -0.162 0.000 1.000 126 K CA 0.377 56.617 56.287 -0.079 0.000 0.943 126 K CB 0.282 32.750 32.500 -0.053 0.000 0.950 126 K HN 0.294 nan 8.250 nan 0.000 0.485 127 Q N 1.144 120.771 119.800 -0.289 0.000 2.738 127 Q HA 0.213 4.553 4.340 -0.000 0.000 0.197 127 Q C -0.161 175.641 176.000 -0.329 0.000 1.012 127 Q CA -0.065 55.526 55.803 -0.352 0.000 0.968 127 Q CB 0.694 29.123 28.738 -0.516 0.000 1.590 127 Q HN 0.825 nan 8.270 nan 0.000 0.490 128 D N -1.755 118.486 120.400 -0.265 0.000 2.514 128 D HA 0.105 4.744 4.640 -0.000 0.000 0.225 128 D C 0.278 176.493 176.300 -0.140 0.000 1.159 128 D CA -0.258 53.627 54.000 -0.192 0.000 0.823 128 D CB -0.371 40.381 40.800 -0.080 0.000 1.097 128 D HN 0.271 nan 8.370 nan 0.000 0.519 129 F N 1.164 121.071 119.950 -0.071 0.000 2.535 129 F HA 0.371 4.898 4.527 0.000 0.000 0.332 129 F C 1.092 176.873 175.800 -0.032 0.000 1.208 129 F CA -0.817 57.159 58.000 -0.040 0.000 1.330 129 F CB 0.676 39.665 39.000 -0.019 0.000 1.167 129 F HN -0.117 nan 8.300 nan 0.000 0.597 130 V N -2.662 117.377 119.914 0.208 0.000 3.372 130 V HA 0.334 4.454 4.120 -0.000 0.000 0.304 130 V C -0.726 175.453 176.094 0.142 0.000 1.530 130 V CA 0.293 62.657 62.300 0.106 0.000 1.080 130 V CB -0.679 31.160 31.823 0.026 0.000 0.929 130 V HN 1.033 nan 8.190 nan 0.000 0.455 131 D N -1.028 119.482 120.400 0.182 0.000 2.768 131 D HA 0.224 4.864 4.640 -0.000 0.000 0.327 131 D C 0.732 177.023 176.300 -0.016 0.000 1.302 131 D CA -0.527 53.522 54.000 0.082 0.000 0.897 131 D CB 1.080 41.898 40.800 0.029 0.000 1.420 131 D HN -0.161 nan 8.370 nan 0.000 0.494 132 L N 0.488 121.622 121.223 -0.148 0.000 1.963 132 L HA -0.281 4.059 4.340 -0.000 0.000 0.220 132 L C 2.800 179.450 176.870 -0.367 0.000 1.076 132 L CA 3.028 57.601 54.840 -0.446 0.000 0.772 132 L CB -2.366 39.331 42.059 -0.603 0.000 0.892 132 L HN 0.752 nan 8.230 nan 0.000 0.435 133 Q N 0.006 119.689 119.800 -0.194 0.000 2.118 133 Q HA -0.209 4.131 4.340 -0.000 0.000 0.211 133 Q C 2.077 178.052 176.000 -0.042 0.000 0.998 133 Q CA 2.235 58.019 55.803 -0.031 0.000 0.872 133 Q CB -1.240 27.497 28.738 -0.001 0.000 0.925 133 Q HN 0.447 nan 8.270 nan 0.000 0.414 134 G N 0.141 108.892 108.800 -0.081 0.000 2.422 134 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 134 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 134 G C 1.372 175.999 174.900 -0.455 0.000 1.140 134 G CA 0.662 45.708 45.100 -0.091 0.000 0.775 134 G HN 0.512 nan 8.290 nan 0.000 0.545 135 Q N -0.169 119.187 119.800 -0.740 0.000 2.016 135 Q HA -0.013 4.327 4.340 -0.000 0.000 0.200 135 Q C 2.575 178.322 176.000 -0.422 0.000 0.978 135 Q CA 1.016 56.140 55.803 -1.133 0.000 0.833 135 Q CB -0.225 28.152 28.738 -0.602 0.000 0.895 135 Q HN 0.501 nan 8.270 nan 0.000 0.427 136 L N 0.195 121.282 121.223 -0.227 0.000 2.083 136 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 136 L C 2.720 179.686 176.870 0.161 0.000 1.083 136 L CA 0.807 55.636 54.840 -0.018 0.000 0.752 136 L CB -0.581 41.435 42.059 -0.072 0.000 0.899 136 L HN 0.161 nan 8.230 nan 0.000 0.433 137 R N -0.039 120.535 120.500 0.123 0.000 2.091 137 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 137 R C 2.240 178.549 176.300 0.015 0.000 1.136 137 R CA 1.698 57.779 56.100 -0.031 0.000 0.959 137 R CB -0.911 29.267 30.300 -0.202 0.000 0.856 137 R HN 0.319 nan 8.270 nan 0.000 0.437 138 F N 1.215 121.103 119.950 -0.103 0.000 2.206 138 F HA 0.076 4.602 4.527 -0.000 0.000 0.298 138 F C 1.698 177.499 175.800 0.002 0.000 1.090 138 F CA 0.974 58.956 58.000 -0.031 0.000 1.323 138 F CB -0.280 38.725 39.000 0.009 0.000 1.028 138 F HN -0.033 nan 8.300 nan 0.000 0.492 139 A N -0.254 122.482 122.820 -0.139 0.000 2.223 139 A HA 0.436 4.756 4.320 -0.000 0.000 0.222 139 A C 1.585 179.089 177.584 -0.133 0.000 1.317 139 A CA 0.869 52.806 52.037 -0.166 0.000 0.985 139 A CB -1.512 17.498 19.000 0.017 0.000 0.858 139 A HN 0.518 nan 8.150 nan 0.000 0.496 140 A N -0.729 121.998 122.820 -0.155 0.000 2.048 140 A HA 0.223 4.543 4.320 -0.000 0.000 0.197 140 A C 1.743 179.270 177.584 -0.095 0.000 1.486 140 A CA 0.333 52.331 52.037 -0.065 0.000 1.029 140 A CB 0.164 19.185 19.000 0.034 0.000 1.101 140 A HN 0.346 nan 8.150 nan 0.000 0.470 141 K N -0.245 120.060 120.400 -0.158 0.000 2.366 141 K HA 0.103 4.423 4.320 -0.000 0.000 0.198 141 K C 1.477 177.994 176.600 -0.139 0.000 1.044 141 K CA 0.592 56.829 56.287 -0.082 0.000 0.973 141 K CB -0.027 32.438 32.500 -0.057 0.000 0.767 141 K HN 0.317 nan 8.250 nan 0.000 0.475 142 L N 1.436 122.460 121.223 -0.332 0.000 2.095 142 L HA -0.006 4.334 4.340 -0.000 0.000 0.204 142 L C 1.943 178.644 176.870 -0.283 0.000 1.080 142 L CA 1.268 55.906 54.840 -0.337 0.000 0.759 142 L CB -0.139 41.650 42.059 -0.449 0.000 0.914 142 L HN 0.058 nan 8.230 nan 0.000 0.439 143 I N -0.786 119.667 120.570 -0.195 0.000 2.179 143 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 143 I C 2.412 178.480 176.117 -0.081 0.000 1.088 143 I CA 1.378 62.645 61.300 -0.055 0.000 1.357 143 I CB -0.318 37.695 38.000 0.022 0.000 1.051 143 I HN 0.358 nan 8.210 nan 0.000 0.409 144 E N 0.651 120.793 120.200 -0.096 0.000 2.153 144 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 144 E C 2.215 178.571 176.600 -0.406 0.000 0.988 144 E CA 1.172 57.496 56.400 -0.127 0.000 0.811 144 E CB -0.149 29.587 29.700 0.060 0.000 0.746 144 E HN 0.579 nan 8.360 nan 0.000 0.466 145 G N 0.227 108.792 108.800 -0.392 0.000 2.421 145 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.217 145 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.217 145 G C 1.627 176.393 174.900 -0.223 0.000 1.143 145 G CA 0.471 45.235 45.100 -0.561 0.000 0.784 145 G HN 0.118 nan 8.290 nan 0.000 0.541 146 V N 0.992 120.805 119.914 -0.169 0.000 2.346 146 V HA -0.016 4.104 4.120 -0.000 0.000 0.244 146 V C 2.827 178.977 176.094 0.093 0.000 1.037 146 V CA 1.011 63.273 62.300 -0.063 0.000 1.029 146 V CB -0.497 31.093 31.823 -0.389 0.000 0.663 146 V HN 0.307 nan 8.190 nan 0.000 0.454 147 L N 0.485 121.737 121.223 0.049 0.000 2.127 147 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 147 L C 2.242 179.125 176.870 0.022 0.000 1.089 147 L CA 2.094 56.971 54.840 0.061 0.000 0.757 147 L CB -0.641 41.374 42.059 -0.075 0.000 0.899 147 L HN 0.437 nan 8.230 nan 0.000 0.434 148 D N -0.510 119.845 120.400 -0.075 0.000 2.277 148 D HA -0.197 4.443 4.640 -0.000 0.000 0.208 148 D C 1.916 178.239 176.300 0.038 0.000 0.962 148 D CA 0.496 54.463 54.000 -0.054 0.000 0.865 148 D CB 0.127 40.752 40.800 -0.292 0.000 0.939 148 D HN 0.274 nan 8.370 nan 0.000 0.510 149 F N 0.826 120.721 119.950 -0.091 0.000 2.317 149 F HA 0.180 4.707 4.527 -0.000 0.000 0.293 149 F C 1.979 177.690 175.800 -0.149 0.000 1.085 149 F CA 0.560 58.369 58.000 -0.318 0.000 1.390 149 F CB -0.027 38.812 39.000 -0.268 0.000 1.077 149 F HN -0.237 nan 8.300 nan 0.000 0.517 150 K N 0.396 120.804 120.400 0.013 0.000 2.360 150 K HA -0.164 4.155 4.320 -0.000 0.000 0.201 150 K C 1.914 178.485 176.600 -0.049 0.000 1.046 150 K CA 1.481 57.782 56.287 0.023 0.000 0.940 150 K CB -0.220 32.386 32.500 0.176 0.000 0.748 150 K HN 0.444 nan 8.250 nan 0.000 0.465 151 S N -0.151 115.503 115.700 -0.077 0.000 2.446 151 S HA -0.030 4.439 4.470 -0.000 0.000 0.225 151 S C 1.739 176.267 174.600 -0.119 0.000 1.016 151 S CA 0.372 58.544 58.200 -0.047 0.000 0.943 151 S CB -0.076 63.124 63.200 0.000 0.000 0.786 151 S HN 0.285 nan 8.310 nan 0.000 0.508 152 M N 0.478 119.918 119.600 -0.267 0.000 2.618 152 M HA 0.304 4.783 4.480 -0.000 0.000 0.240 152 M C 1.318 177.459 176.300 -0.264 0.000 1.123 152 M CA 0.581 55.707 55.300 -0.289 0.000 1.060 152 M CB -0.308 32.030 32.600 -0.437 0.000 1.535 152 M HN 0.360 nan 8.290 nan 0.000 0.507 153 I N -0.576 119.854 120.570 -0.233 0.000 2.685 153 I HA -0.115 4.055 4.170 -0.000 0.000 0.251 153 I C 1.684 177.853 176.117 0.087 0.000 1.102 153 I CA 0.436 61.678 61.300 -0.097 0.000 1.442 153 I CB -0.229 37.677 38.000 -0.157 0.000 1.194 153 I HN 0.118 nan 8.210 nan 0.000 0.448 154 D N 1.585 122.008 120.400 0.039 0.000 2.158 154 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 154 D C 1.514 177.836 176.300 0.037 0.000 0.995 154 D CA 1.320 55.350 54.000 0.051 0.000 0.846 154 D CB -0.343 40.471 40.800 0.023 0.000 0.941 154 D HN 0.374 nan 8.370 nan 0.000 0.456 155 N N 0.424 119.133 118.700 0.015 0.000 2.392 155 N HA -0.036 4.703 4.740 -0.000 0.000 0.177 155 N C -0.008 175.511 175.510 0.016 0.000 1.066 155 N CA 0.157 53.212 53.050 0.008 0.000 0.895 155 N CB 0.421 38.905 38.487 -0.006 0.000 0.988 155 N HN 0.287 nan 8.380 nan 0.000 0.457 156 E N -0.969 119.255 120.200 0.040 0.000 2.596 156 E HA -0.136 4.214 4.350 -0.000 0.000 0.272 156 E C -0.425 176.185 176.600 0.016 0.000 1.039 156 E CA 0.829 57.272 56.400 0.072 0.000 0.804 156 E CB -1.931 27.803 29.700 0.057 0.000 1.373 156 E HN 0.500 nan 8.360 nan 0.000 0.404 157 T N -2.208 112.324 114.554 -0.035 0.000 3.145 157 T HA 0.286 4.635 4.350 -0.000 0.000 0.255 157 T C 0.505 175.146 174.700 -0.099 0.000 1.039 157 T CA -0.575 61.493 62.100 -0.053 0.000 0.928 157 T CB 0.238 69.076 68.868 -0.050 0.000 1.029 157 T HN 0.048 nan 8.240 nan 0.000 0.554 158 L N 3.547 124.680 121.223 -0.150 0.000 2.559 158 L HA 0.288 4.628 4.340 -0.000 0.000 0.274 158 L C -2.237 174.534 176.870 -0.165 0.000 1.205 158 L CA -1.818 52.876 54.840 -0.242 0.000 0.907 158 L CB -0.045 41.788 42.059 -0.377 0.000 1.153 158 L HN 0.028 nan 8.230 nan 0.000 0.490 159 P HA 0.086 nan 4.420 nan 0.000 0.266 159 P C -0.785 176.420 177.300 -0.159 0.000 1.215 159 P CA -0.357 62.679 63.100 -0.105 0.000 0.763 159 P CB 0.458 32.125 31.700 -0.054 0.000 0.806 160 V N 3.211 123.020 119.914 -0.174 0.000 2.901 160 V HA -0.052 4.068 4.120 -0.000 0.000 0.307 160 V C 0.921 176.692 176.094 -0.539 0.000 1.084 160 V CA 0.391 62.536 62.300 -0.258 0.000 1.184 160 V CB -0.170 31.517 31.823 -0.226 0.000 0.941 160 V HN 0.530 nan 8.190 nan 0.000 0.493 161 E N 1.369 121.284 120.200 -0.476 0.000 2.239 161 E HA 0.714 5.064 4.350 -0.000 0.000 0.261 161 E C -1.149 175.018 176.600 -0.722 0.000 1.016 161 E CA -0.379 55.724 56.400 -0.494 0.000 0.882 161 E CB 1.442 31.067 29.700 -0.127 0.000 1.190 161 E HN 0.505 nan 8.360 nan 0.000 0.415 162 F N -0.041 119.946 119.950 0.061 0.000 2.679 162 F HA 0.421 4.947 4.527 -0.001 0.000 0.341 162 F C 0.323 176.148 175.800 0.042 0.000 1.095 162 F CA -0.919 57.111 58.000 0.050 0.000 1.004 162 F CB 0.855 39.878 39.000 0.039 0.000 1.388 162 F HN 0.207 nan 8.300 nan 0.000 0.505 163 L N 0.860 122.242 121.223 0.264 0.000 3.635 163 L HA 0.368 4.708 4.340 -0.000 0.000 0.338 163 L C -0.068 176.870 176.870 0.113 0.000 1.275 163 L CA 0.648 55.574 54.840 0.145 0.000 1.092 163 L CB 0.306 42.420 42.059 0.091 0.000 1.465 163 L HN 0.914 nan 8.230 nan 0.000 0.625 164 G N -0.134 108.739 108.800 0.120 0.000 2.978 164 G HA2 0.150 4.110 3.960 -0.000 0.000 0.193 164 G HA3 0.150 4.110 3.960 -0.000 0.000 0.193 164 G C 0.798 175.718 174.900 0.033 0.000 1.038 164 G CA -0.072 45.059 45.100 0.051 0.000 1.103 164 G HN 0.847 nan 8.290 nan 0.000 0.574 165 G N -0.796 108.009 108.800 0.008 0.000 2.198 165 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.260 165 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.260 165 G C 0.107 175.050 174.900 0.071 0.000 1.025 165 G CA 1.121 46.225 45.100 0.006 0.000 0.769 165 G HN 1.483 nan 8.290 nan 0.000 0.507 166 Q N -0.526 119.356 119.800 0.137 0.000 2.295 166 Q HA 0.422 4.762 4.340 -0.000 0.000 0.259 166 Q C -2.812 173.297 176.000 0.180 0.000 0.966 166 Q CA -1.886 53.982 55.803 0.108 0.000 0.763 166 Q CB 2.874 31.637 28.738 0.042 0.000 1.283 166 Q HN 0.182 nan 8.270 nan 0.000 0.445 167 P HA 0.140 nan 4.420 nan 0.000 0.272 167 P C -0.903 176.415 177.300 0.030 0.000 1.223 167 P CA -0.059 63.143 63.100 0.170 0.000 0.784 167 P CB 0.754 32.630 31.700 0.293 0.000 0.923 168 L N 0.834 122.055 121.223 -0.004 0.000 2.333 168 L HA 0.462 4.802 4.340 -0.000 0.000 0.269 168 L C 0.190 177.044 176.870 -0.026 0.000 1.010 168 L CA -1.089 53.739 54.840 -0.020 0.000 0.818 168 L CB 1.891 43.952 42.059 0.004 0.000 1.306 168 L HN 0.400 nan 8.230 nan 0.000 0.430 169 C N 3.463 122.766 119.300 0.005 0.000 2.627 169 C HA 0.179 4.639 4.460 -0.000 0.000 0.404 169 C C 1.330 176.388 174.990 0.114 0.000 1.340 169 C CA -0.370 58.673 59.018 0.043 0.000 1.758 169 C CB -0.202 27.576 27.740 0.063 0.000 2.501 169 C HN 0.734 nan 8.230 nan 0.000 0.588 170 M N 5.041 124.744 119.600 0.171 0.000 2.419 170 M HA 0.075 4.555 4.480 -0.000 0.000 0.252 170 M C 1.524 178.060 176.300 0.393 0.000 1.143 170 M CA 0.356 55.838 55.300 0.304 0.000 0.985 170 M CB -1.510 31.264 32.600 0.290 0.000 1.489 170 M HN 0.862 nan 8.290 nan 0.000 0.484 171 N N 0.888 119.771 118.700 0.305 0.000 2.289 171 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 171 N C 1.612 177.290 175.510 0.280 0.000 1.016 171 N CA 1.322 54.584 53.050 0.353 0.000 0.872 171 N CB 0.210 38.823 38.487 0.210 0.000 0.973 171 N HN 0.408 nan 8.380 nan 0.000 0.433 172 Q N -1.211 118.648 119.800 0.099 0.000 2.170 172 Q HA -0.137 4.203 4.340 -0.000 0.000 0.203 172 Q C 0.911 176.835 176.000 -0.128 0.000 0.976 172 Q CA 1.076 56.853 55.803 -0.042 0.000 0.858 172 Q CB -0.082 28.558 28.738 -0.164 0.000 0.907 172 Q HN 0.594 nan 8.270 nan 0.000 0.433 173 Y N -1.542 118.694 120.300 -0.106 0.000 2.716 173 Y HA -0.173 4.377 4.550 -0.000 0.000 0.302 173 Y C 0.618 176.261 175.900 -0.428 0.000 1.160 173 Y CA 0.794 58.725 58.100 -0.282 0.000 1.362 173 Y CB 0.035 38.235 38.460 -0.434 0.000 0.988 173 Y HN 0.206 nan 8.280 nan 0.000 0.546 174 Y N -1.604 118.790 120.300 0.157 0.000 2.507 174 Y HA 0.097 4.646 4.550 -0.000 0.000 0.254 174 Y C 1.509 177.463 175.900 0.091 0.000 1.171 174 Y CA -0.306 57.865 58.100 0.118 0.000 1.238 174 Y CB 0.418 38.933 38.460 0.093 0.000 1.148 174 Y HN 0.064 nan 8.280 nan 0.000 0.525 175 Q N 0.009 119.903 119.800 0.156 0.000 2.353 175 Q HA 0.135 4.474 4.340 -0.000 0.000 0.240 175 Q C 2.103 178.169 176.000 0.110 0.000 0.868 175 Q CA 0.546 56.419 55.803 0.118 0.000 0.944 175 Q CB 0.384 29.172 28.738 0.083 0.000 1.104 175 Q HN 0.671 nan 8.270 nan 0.000 0.531 176 I N -1.728 118.900 120.570 0.096 0.000 2.202 176 I HA -0.059 4.111 4.170 -0.000 0.000 0.242 176 I C 0.945 177.173 176.117 0.186 0.000 1.091 176 I CA 0.700 62.072 61.300 0.119 0.000 1.368 176 I CB -0.320 37.725 38.000 0.077 0.000 1.058 176 I HN -0.086 nan 8.210 nan 0.000 0.410 177 L N 1.416 122.761 121.223 0.205 0.000 2.456 177 L HA 0.206 4.546 4.340 -0.000 0.000 0.257 177 L C 1.062 178.066 176.870 0.223 0.000 1.162 177 L CA -0.398 54.589 54.840 0.245 0.000 0.808 177 L CB 0.936 43.144 42.059 0.248 0.000 1.136 177 L HN 0.246 nan 8.230 nan 0.000 0.466 178 S N 0.110 115.944 115.700 0.224 0.000 3.491 178 S HA -0.171 4.298 4.470 -0.000 0.000 0.371 178 S C 0.052 174.817 174.600 0.275 0.000 0.980 178 S CA 0.788 59.119 58.200 0.218 0.000 1.204 178 S CB -1.223 62.099 63.200 0.203 0.000 0.915 178 S HN 0.854 nan 8.310 nan 0.000 0.482 179 S N -1.589 114.261 115.700 0.249 0.000 2.911 179 S HA 0.922 5.392 4.470 -0.000 0.000 0.319 179 S C -0.226 174.517 174.600 0.238 0.000 1.154 179 S CA -0.336 58.011 58.200 0.246 0.000 0.857 179 S CB 2.341 65.644 63.200 0.171 0.000 1.279 179 S HN 1.016 nan 8.310 nan 0.000 0.593 180 C N -0.124 119.303 119.300 0.212 0.000 3.197 180 C HA 0.686 5.146 4.460 -0.000 0.000 0.343 180 C C -1.365 173.732 174.990 0.178 0.000 1.291 180 C CA -0.507 58.644 59.018 0.222 0.000 1.191 180 C CB 0.948 28.845 27.740 0.262 0.000 1.444 180 C HN 1.241 nan 8.230 nan 0.000 0.468 181 R N 1.629 122.240 120.500 0.184 0.000 2.536 181 R HA 0.878 5.218 4.340 -0.000 0.000 0.279 181 R C -1.382 174.984 176.300 0.110 0.000 1.001 181 R CA -0.243 55.931 56.100 0.123 0.000 1.027 181 R CB 1.376 31.739 30.300 0.105 0.000 1.096 181 R HN 0.655 nan 8.270 nan 0.000 0.502 182 V N 5.005 124.939 119.914 0.034 0.000 2.656 182 V HA 0.462 4.582 4.120 -0.000 0.000 0.307 182 V C -2.306 173.702 176.094 -0.144 0.000 1.051 182 V CA -2.248 60.008 62.300 -0.074 0.000 0.893 182 V CB 1.873 33.694 31.823 -0.005 0.000 0.999 182 V HN 0.847 nan 8.190 nan 0.000 0.426 183 P HA 0.463 nan 4.420 nan 0.000 0.272 183 P C -0.173 177.042 177.300 -0.140 0.000 1.230 183 P CA 0.029 62.940 63.100 -0.314 0.000 0.788 183 P CB 0.742 32.020 31.700 -0.703 0.000 0.949 184 G N 1.426 110.178 108.800 -0.080 0.000 2.552 184 G HA2 0.290 4.250 3.960 -0.000 0.000 0.288 184 G HA3 0.290 4.250 3.960 -0.000 0.000 0.288 184 G C -2.317 172.572 174.900 -0.017 0.000 1.358 184 G CA -0.947 44.136 45.100 -0.030 0.000 1.305 184 G HN 0.166 nan 8.290 nan 0.000 0.602 185 P HA -0.254 nan 4.420 nan 0.000 0.217 185 P C 1.362 178.664 177.300 0.003 0.000 1.158 185 P CA 1.329 64.429 63.100 -0.000 0.000 0.887 185 P CB 0.591 32.291 31.700 0.001 0.000 0.792 186 K N -0.262 120.139 120.400 0.002 0.000 2.019 186 K HA -0.047 4.273 4.320 -0.000 0.000 0.209 186 K C 1.708 178.308 176.600 0.001 0.000 1.032 186 K CA 0.743 57.032 56.287 0.003 0.000 0.947 186 K CB 0.029 32.533 32.500 0.006 0.000 0.757 186 K HN 0.247 nan 8.250 nan 0.000 0.444 187 Q N -0.505 119.298 119.800 0.004 0.000 2.814 187 Q HA 0.343 4.683 4.340 -0.000 0.000 0.283 187 Q C -1.212 174.792 176.000 0.007 0.000 1.071 187 Q CA -1.126 54.681 55.803 0.007 0.000 0.849 187 Q CB 1.549 30.296 28.738 0.014 0.000 1.437 187 Q HN -0.045 nan 8.270 nan 0.000 0.492 188 D N 0.649 121.057 120.400 0.015 0.000 2.299 188 D HA 0.444 5.084 4.640 -0.000 0.000 0.243 188 D C -0.723 175.588 176.300 0.018 0.000 0.982 188 D CA -0.250 53.756 54.000 0.010 0.000 0.924 188 D CB 2.082 42.893 40.800 0.019 0.000 1.238 188 D HN 0.643 nan 8.370 nan 0.000 0.484 189 S N -0.647 115.060 115.700 0.012 0.000 2.739 189 S HA 0.821 5.291 4.470 -0.000 0.000 0.306 189 S C -0.481 174.133 174.600 0.023 0.000 1.115 189 S CA -0.682 57.529 58.200 0.018 0.000 0.985 189 S CB 1.544 64.754 63.200 0.017 0.000 1.133 189 S HN 0.191 nan 8.310 nan 0.000 0.541 190 V N 0.814 120.740 119.914 0.020 0.000 2.841 190 V HA 0.706 4.826 4.120 -0.000 0.000 0.310 190 V C -0.706 175.384 176.094 -0.007 0.000 1.090 190 V CA -0.713 61.600 62.300 0.022 0.000 0.930 190 V CB 1.838 33.673 31.823 0.020 0.000 1.014 190 V HN 1.052 nan 8.190 nan 0.000 0.425 191 V N 0.982 120.891 119.914 -0.008 0.000 2.680 191 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 191 V C -0.617 175.376 176.094 -0.169 0.000 1.052 191 V CA -0.625 61.596 62.300 -0.132 0.000 0.908 191 V CB 1.802 33.575 31.823 -0.084 0.000 1.001 191 V HN 0.948 nan 8.190 nan 0.000 0.431 192 N N 2.226 120.709 118.700 -0.362 0.000 2.480 192 N HA 0.537 5.277 4.740 -0.000 0.000 0.289 192 N C -1.071 174.234 175.510 -0.342 0.000 1.073 192 N CA -0.572 52.360 53.050 -0.197 0.000 0.885 192 N CB 1.584 40.038 38.487 -0.056 0.000 1.421 192 N HN 0.695 nan 8.380 nan 0.000 0.503 193 F N 2.787 122.776 119.950 0.065 0.000 2.647 193 F HA 0.218 4.745 4.527 -0.001 0.000 0.300 193 F C 1.561 177.388 175.800 0.046 0.000 1.106 193 F CA -0.417 57.612 58.000 0.047 0.000 1.313 193 F CB 0.326 39.350 39.000 0.040 0.000 1.007 193 F HN 0.467 nan 8.300 nan 0.000 0.536 194 L N 0.735 122.071 121.223 0.189 0.000 2.191 194 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 194 L C 1.386 178.323 176.870 0.111 0.000 1.103 194 L CA 2.034 56.967 54.840 0.155 0.000 0.769 194 L CB -0.358 41.805 42.059 0.172 0.000 0.908 194 L HN 0.033 nan 8.230 nan 0.000 0.438 195 K N -1.213 119.238 120.400 0.086 0.000 2.506 195 K HA 0.210 4.530 4.320 -0.000 0.000 0.204 195 K C 0.821 177.446 176.600 0.041 0.000 1.045 195 K CA 0.335 56.651 56.287 0.049 0.000 1.074 195 K CB 0.436 32.949 32.500 0.021 0.000 0.842 195 K HN 0.362 nan 8.250 nan 0.000 0.514 196 S N 0.766 116.510 115.700 0.074 0.000 2.650 196 S HA 0.031 4.501 4.470 -0.000 0.000 0.251 196 S C 1.357 175.981 174.600 0.040 0.000 1.325 196 S CA -0.258 57.986 58.200 0.074 0.000 0.967 196 S CB 0.582 63.873 63.200 0.151 0.000 1.000 196 S HN -0.006 nan 8.310 nan 0.000 0.584 197 K N 1.098 121.519 120.400 0.034 0.000 2.002 197 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 197 K C 0.901 177.502 176.600 0.001 0.000 1.048 197 K CA 1.491 57.785 56.287 0.013 0.000 0.930 197 K CB -0.641 31.865 32.500 0.010 0.000 0.714 197 K HN 0.861 nan 8.250 nan 0.000 0.438 198 R N 1.503 122.002 120.500 -0.001 0.000 2.363 198 R HA 0.410 4.750 4.340 -0.000 0.000 0.297 198 R C -2.837 173.445 176.300 -0.030 0.000 1.208 198 R CA -1.733 54.351 56.100 -0.027 0.000 1.121 198 R CB 0.504 30.780 30.300 -0.040 0.000 1.124 198 R HN -0.156 nan 8.270 nan 0.000 0.561 199 P HA 0.006 nan 4.420 nan 0.000 0.269 199 P C -2.339 174.922 177.300 -0.065 0.000 1.205 199 P CA -0.645 62.448 63.100 -0.011 0.000 0.780 199 P CB 0.063 31.750 31.700 -0.022 0.000 0.858 200 P HA 0.062 nan 4.420 nan 0.000 0.268 200 P C 0.393 177.643 177.300 -0.084 0.000 1.205 200 P CA 0.234 63.286 63.100 -0.080 0.000 0.771 200 P CB 0.253 31.957 31.700 0.007 0.000 0.858 201 T N -2.339 112.155 114.554 -0.099 0.000 3.145 201 T HA 0.163 4.513 4.350 -0.000 0.000 0.281 201 T C 0.404 175.189 174.700 0.142 0.000 1.003 201 T CA -0.228 61.852 62.100 -0.034 0.000 0.901 201 T CB -0.898 67.922 68.868 -0.079 0.000 1.112 201 T HN 0.601 nan 8.240 nan 0.000 0.535 202 H N 0.173 119.215 119.070 -0.046 0.000 2.858 202 H HA 0.871 5.427 4.556 -0.000 0.000 0.318 202 H C -0.401 174.836 175.328 -0.152 0.000 1.419 202 H CA -1.712 54.293 56.048 -0.072 0.000 1.373 202 H CB 1.690 31.406 29.762 -0.076 0.000 1.915 202 H HN 0.316 nan 8.280 nan 0.000 0.704 203 I N -1.581 118.842 120.570 -0.246 0.000 3.006 203 I HA 0.473 4.643 4.170 -0.000 0.000 0.306 203 I C -1.128 174.793 176.117 -0.326 0.000 1.250 203 I CA -1.084 59.949 61.300 -0.445 0.000 0.996 203 I CB 2.728 40.384 38.000 -0.573 0.000 1.261 203 I HN 0.719 nan 8.210 nan 0.000 0.442 204 T N 1.494 115.922 114.554 -0.210 0.000 2.943 204 T HA 0.769 5.119 4.350 -0.000 0.000 0.284 204 T C -0.360 174.425 174.700 0.141 0.000 1.015 204 T CA -0.782 61.317 62.100 -0.001 0.000 1.042 204 T CB 2.227 71.149 68.868 0.090 0.000 1.055 204 T HN 0.508 nan 8.240 nan 0.000 0.500 205 V N 1.640 121.694 119.914 0.233 0.000 2.655 205 V HA 0.454 4.574 4.120 -0.000 0.000 0.301 205 V C -0.640 175.575 176.094 0.202 0.000 1.082 205 V CA -0.941 61.485 62.300 0.209 0.000 0.899 205 V CB 1.954 33.873 31.823 0.159 0.000 1.014 205 V HN 0.932 nan 8.190 nan 0.000 0.429 206 V N 2.330 122.260 119.914 0.027 0.000 2.513 206 V HA 0.726 4.846 4.120 -0.000 0.000 0.299 206 V C -0.678 175.438 176.094 0.037 0.000 1.035 206 V CA -0.679 61.520 62.300 -0.168 0.000 0.889 206 V CB 1.589 33.037 31.823 -0.624 0.000 0.988 206 V HN 1.023 nan 8.190 nan 0.000 0.440 207 H N 3.892 122.933 119.070 -0.049 0.000 3.181 207 H HA 0.441 4.997 4.556 -0.000 0.000 0.331 207 H C 0.031 175.248 175.328 -0.184 0.000 0.988 207 H CA -0.320 55.634 56.048 -0.157 0.000 1.449 207 H CB 0.754 30.339 29.762 -0.296 0.000 1.749 207 H HN 0.676 nan 8.280 nan 0.000 0.501 208 N N 4.680 122.975 118.700 -0.675 0.000 2.815 208 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 208 N C -0.434 174.819 175.510 -0.427 0.000 1.114 208 N CA 1.541 54.169 53.050 -0.704 0.000 0.717 208 N CB -2.006 36.059 38.487 -0.704 0.000 1.074 208 N HN 0.983 nan 8.380 nan 0.000 0.555 209 Y N -3.958 116.248 120.300 -0.158 0.000 4.936 209 Y HA -0.378 4.171 4.550 -0.001 0.000 0.260 209 Y C 0.489 176.345 175.900 -0.074 0.000 0.928 209 Y CA 0.520 58.563 58.100 -0.095 0.000 1.869 209 Y CB -1.524 36.927 38.460 -0.014 0.000 1.344 209 Y HN 0.296 nan 8.280 nan 0.000 0.521 210 Q N 0.833 120.650 119.800 0.028 0.000 2.256 210 Q HA 0.508 4.848 4.340 -0.000 0.000 0.254 210 Q C -0.717 175.209 176.000 -0.123 0.000 0.916 210 Q CA -0.455 55.346 55.803 -0.004 0.000 0.932 210 Q CB 0.869 29.605 28.738 -0.003 0.000 1.207 210 Q HN 0.144 nan 8.270 nan 0.000 0.426 211 F N 1.954 121.828 119.950 -0.126 0.000 2.399 211 F HA 0.498 5.025 4.527 -0.000 0.000 0.334 211 F C -0.364 175.143 175.800 -0.487 0.000 1.097 211 F CA -0.303 57.619 58.000 -0.130 0.000 1.076 211 F CB 0.819 39.771 39.000 -0.080 0.000 1.162 211 F HN 0.410 nan 8.300 nan 0.000 0.495 212 F N 0.776 120.825 119.950 0.164 0.000 2.565 212 F HA 0.308 4.835 4.527 -0.001 0.000 0.313 212 F C -0.314 175.504 175.800 0.031 0.000 1.091 212 F CA -1.026 57.011 58.000 0.062 0.000 0.915 212 F CB 1.887 40.907 39.000 0.033 0.000 1.208 212 F HN 0.332 nan 8.300 nan 0.000 0.453 213 E N 3.072 123.381 120.200 0.181 0.000 2.134 213 E HA 0.509 4.858 4.350 -0.000 0.000 0.278 213 E C -1.803 174.877 176.600 0.134 0.000 0.959 213 E CA -0.788 55.683 56.400 0.119 0.000 0.783 213 E CB 1.349 31.136 29.700 0.146 0.000 1.095 213 E HN 0.552 nan 8.360 nan 0.000 0.399 214 L N 5.389 126.662 121.223 0.084 0.000 2.415 214 L HA 0.372 4.712 4.340 -0.000 0.000 0.268 214 L C -1.197 175.700 176.870 0.044 0.000 0.984 214 L CA -0.584 54.286 54.840 0.050 0.000 0.853 214 L CB 1.541 43.607 42.059 0.011 0.000 1.215 214 L HN 0.435 nan 8.230 nan 0.000 0.419 215 D N 3.850 124.277 120.400 0.046 0.000 2.450 215 D HA 0.132 4.772 4.640 -0.000 0.000 0.247 215 D C 0.776 177.063 176.300 -0.023 0.000 1.162 215 D CA 0.442 54.466 54.000 0.041 0.000 0.879 215 D CB 1.695 42.504 40.800 0.015 0.000 1.163 215 D HN 0.487 nan 8.370 nan 0.000 0.472 216 V N 1.220 121.132 119.914 -0.004 0.000 2.940 216 V HA 0.351 4.471 4.120 -0.000 0.000 0.366 216 V C -0.722 175.147 176.094 -0.376 0.000 1.353 216 V CA -0.516 61.681 62.300 -0.170 0.000 1.232 216 V CB -0.963 30.747 31.823 -0.189 0.000 1.278 216 V HN 0.309 nan 8.190 nan 0.000 0.546 217 Y N -0.662 119.549 120.300 -0.149 0.000 2.441 217 Y HA 0.603 5.153 4.550 -0.000 0.000 0.334 217 Y C 0.426 176.238 175.900 -0.146 0.000 1.061 217 Y CA -0.817 57.212 58.100 -0.118 0.000 1.032 217 Y CB 1.529 39.961 38.460 -0.047 0.000 1.266 217 Y HN 0.191 nan 8.280 nan 0.000 0.441 218 H N 0.809 119.950 119.070 0.119 0.000 2.603 218 H HA 0.141 4.697 4.556 -0.000 0.000 0.370 218 H C 0.863 176.242 175.328 0.084 0.000 1.225 218 H CA 0.622 56.714 56.048 0.074 0.000 1.410 218 H CB 1.521 31.311 29.762 0.046 0.000 1.495 218 H HN 0.771 nan 8.280 nan 0.000 0.602 219 S N 0.609 116.426 115.700 0.194 0.000 2.380 219 S HA -0.263 4.207 4.470 -0.000 0.000 0.229 219 S C 1.156 175.811 174.600 0.092 0.000 1.050 219 S CA 2.196 60.460 58.200 0.107 0.000 1.100 219 S CB -0.476 62.770 63.200 0.076 0.000 0.984 219 S HN 0.783 nan 8.310 nan 0.000 0.434 220 D N 0.005 120.462 120.400 0.095 0.000 2.355 220 D HA 0.304 4.944 4.640 -0.000 0.000 0.253 220 D C 1.038 177.393 176.300 0.092 0.000 1.187 220 D CA 0.706 54.748 54.000 0.071 0.000 0.900 220 D CB -0.769 40.060 40.800 0.049 0.000 0.915 220 D HN 0.436 nan 8.370 nan 0.000 0.516 221 G N -0.082 108.796 108.800 0.130 0.000 2.179 221 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 221 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 221 G C 0.508 175.563 174.900 0.257 0.000 0.977 221 G CA 0.455 45.652 45.100 0.161 0.000 0.641 221 G HN 0.763 nan 8.290 nan 0.000 0.533 222 T N 1.200 115.888 114.554 0.223 0.000 2.851 222 T HA 0.567 4.917 4.350 -0.000 0.000 0.298 222 T C -1.677 173.145 174.700 0.204 0.000 0.977 222 T CA -0.996 61.223 62.100 0.199 0.000 1.126 222 T CB 2.263 71.218 68.868 0.144 0.000 0.916 222 T HN 0.299 nan 8.240 nan 0.000 0.529 223 P HA 0.194 nan 4.420 nan 0.000 0.272 223 P C -0.224 177.022 177.300 -0.090 0.000 1.223 223 P CA -0.655 62.307 63.100 -0.230 0.000 0.784 223 P CB 0.679 32.237 31.700 -0.237 0.000 0.923 224 L N 1.684 122.757 121.223 -0.249 0.000 2.482 224 L HA 0.354 4.694 4.340 -0.000 0.000 0.242 224 L C 1.492 178.339 176.870 -0.038 0.000 1.210 224 L CA 0.694 55.451 54.840 -0.138 0.000 0.819 224 L CB -0.151 41.753 42.059 -0.258 0.000 1.203 224 L HN 0.558 nan 8.230 nan 0.000 0.495 225 T N -4.081 110.486 114.554 0.022 0.000 2.910 225 T HA 0.334 4.684 4.350 -0.000 0.000 0.287 225 T C 0.964 175.683 174.700 0.031 0.000 1.050 225 T CA -0.300 61.822 62.100 0.038 0.000 1.011 225 T CB 1.108 70.011 68.868 0.059 0.000 1.195 225 T HN 0.365 nan 8.240 nan 0.000 0.540 226 S N 0.686 116.409 115.700 0.038 0.000 2.387 226 S HA -0.159 4.310 4.470 -0.000 0.000 0.230 226 S C 1.382 176.014 174.600 0.053 0.000 1.035 226 S CA 1.958 60.176 58.200 0.031 0.000 1.014 226 S CB -0.734 62.470 63.200 0.006 0.000 0.836 226 S HN 0.832 nan 8.310 nan 0.000 0.466 227 D N 1.444 121.873 120.400 0.047 0.000 2.087 227 D HA -0.132 4.508 4.640 -0.000 0.000 0.192 227 D C 2.252 178.621 176.300 0.114 0.000 0.993 227 D CA 1.302 55.345 54.000 0.072 0.000 0.828 227 D CB -0.343 40.487 40.800 0.051 0.000 0.968 227 D HN 0.372 nan 8.370 nan 0.000 0.448 228 Q N 0.033 119.881 119.800 0.079 0.000 2.020 228 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 228 Q C 2.366 178.385 176.000 0.031 0.000 0.982 228 Q CA 0.905 56.742 55.803 0.057 0.000 0.838 228 Q CB -0.162 28.603 28.738 0.045 0.000 0.899 228 Q HN 0.342 nan 8.270 nan 0.000 0.423 229 I N 0.006 120.589 120.570 0.022 0.000 2.087 229 I HA -0.330 3.840 4.170 -0.000 0.000 0.240 229 I C 2.111 178.247 176.117 0.031 0.000 1.054 229 I CA 1.440 62.743 61.300 0.005 0.000 1.311 229 I CB -0.439 37.565 38.000 0.006 0.000 1.024 229 I HN 0.196 nan 8.210 nan 0.000 0.402 230 F N 1.612 121.525 119.950 -0.062 0.000 2.063 230 F HA -0.270 4.256 4.527 -0.001 0.000 0.298 230 F C 2.426 178.183 175.800 -0.071 0.000 1.109 230 F CA 1.987 59.944 58.000 -0.072 0.000 1.212 230 F CB -0.675 38.284 39.000 -0.069 0.000 0.973 230 F HN -0.205 nan 8.300 nan 0.000 0.480 231 V N 0.536 120.413 119.914 -0.062 0.000 2.324 231 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 231 V C 2.364 178.342 176.094 -0.193 0.000 1.060 231 V CA 2.169 64.376 62.300 -0.156 0.000 1.042 231 V CB -0.813 31.005 31.823 -0.008 0.000 0.650 231 V HN 0.424 nan 8.190 nan 0.000 0.450 232 Q N -0.805 118.916 119.800 -0.132 0.000 2.369 232 Q HA 0.049 4.389 4.340 -0.000 0.000 0.206 232 Q C 2.098 177.994 176.000 -0.173 0.000 0.963 232 Q CA 1.014 56.743 55.803 -0.124 0.000 0.894 232 Q CB -0.068 28.622 28.738 -0.080 0.000 0.965 232 Q HN 0.573 nan 8.270 nan 0.000 0.475 233 L N -0.244 120.847 121.223 -0.221 0.000 2.249 233 L HA -0.021 4.318 4.340 -0.000 0.000 0.207 233 L C 2.306 179.012 176.870 -0.273 0.000 1.090 233 L CA 0.577 55.283 54.840 -0.224 0.000 0.802 233 L CB -0.105 41.844 42.059 -0.184 0.000 0.947 233 L HN 0.161 nan 8.230 nan 0.000 0.453 234 E N 0.580 120.533 120.200 -0.412 0.000 2.152 234 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 234 E C 1.972 178.451 176.600 -0.203 0.000 0.983 234 E CA 0.848 57.023 56.400 -0.374 0.000 0.818 234 E CB 0.274 29.649 29.700 -0.542 0.000 0.758 234 E HN 0.379 nan 8.360 nan 0.000 0.467 235 K N 0.126 120.401 120.400 -0.208 0.000 2.057 235 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 235 K C 2.104 178.567 176.600 -0.228 0.000 1.050 235 K CA 1.021 57.211 56.287 -0.161 0.000 0.935 235 K CB -0.019 32.399 32.500 -0.137 0.000 0.715 235 K HN 0.205 nan 8.250 nan 0.000 0.439 236 I N 0.120 120.477 120.570 -0.354 0.000 2.439 236 I HA -0.220 3.949 4.170 -0.000 0.000 0.251 236 I C 2.253 178.047 176.117 -0.538 0.000 1.139 236 I CA 0.695 61.551 61.300 -0.740 0.000 1.438 236 I CB -0.154 37.401 38.000 -0.741 0.000 1.085 236 I HN 0.397 nan 8.210 nan 0.000 0.427 237 W N 1.865 122.895 121.300 -0.449 0.000 2.407 237 W HA -0.161 4.498 4.660 -0.001 0.000 0.305 237 W C 2.293 178.686 176.519 -0.210 0.000 1.196 237 W CA 1.271 58.371 57.345 -0.408 0.000 1.311 237 W CB -0.470 28.732 29.460 -0.430 0.000 1.135 237 W HN 0.151 nan 8.180 nan 0.000 0.514 238 N N 0.407 119.186 118.700 0.132 0.000 2.309 238 N HA -0.125 4.615 4.740 -0.000 0.000 0.182 238 N C 1.688 177.221 175.510 0.040 0.000 1.018 238 N CA 1.486 54.601 53.050 0.108 0.000 0.876 238 N CB -0.264 38.263 38.487 0.067 0.000 0.972 238 N HN -0.036 nan 8.380 nan 0.000 0.434 239 S N -0.475 115.221 115.700 -0.006 0.000 2.406 239 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 239 S C 0.912 175.607 174.600 0.157 0.000 1.020 239 S CA 0.854 59.097 58.200 0.072 0.000 0.965 239 S CB -0.013 63.242 63.200 0.092 0.000 0.798 239 S HN 0.525 nan 8.310 nan 0.000 0.488 240 S N 0.748 116.526 115.700 0.130 0.000 2.078 240 S HA 0.486 4.956 4.470 -0.000 0.000 0.168 240 S C 0.468 175.083 174.600 0.026 0.000 1.542 240 S CA -0.527 57.770 58.200 0.162 0.000 1.223 240 S CB 0.005 63.425 63.200 0.367 0.000 1.152 240 S HN 0.235 nan 8.310 nan 0.000 0.452 241 L N 0.730 121.948 121.223 -0.007 0.000 2.298 241 L HA 0.110 4.450 4.340 -0.000 0.000 0.209 241 L C 1.574 178.400 176.870 -0.073 0.000 1.084 241 L CA 0.115 54.931 54.840 -0.040 0.000 0.816 241 L CB -0.182 41.897 42.059 0.032 0.000 0.967 241 L HN 0.640 nan 8.230 nan 0.000 0.460 242 Q N -0.047 119.723 119.800 -0.049 0.000 2.395 242 Q HA -0.069 4.271 4.340 -0.000 0.000 0.271 242 Q C 0.312 176.235 176.000 -0.129 0.000 1.026 242 Q CA 0.384 56.151 55.803 -0.059 0.000 0.900 242 Q CB 1.081 29.806 28.738 -0.022 0.000 1.266 242 Q HN -0.060 nan 8.270 nan 0.000 0.430 243 S N 1.257 116.882 115.700 -0.126 0.000 2.664 243 S HA 0.041 4.511 4.470 -0.000 0.000 0.245 243 S C 0.127 174.659 174.600 -0.114 0.000 1.019 243 S CA -0.395 57.685 58.200 -0.199 0.000 0.996 243 S CB -0.126 62.956 63.200 -0.196 0.000 0.878 243 S HN 0.713 nan 8.310 nan 0.000 0.493 244 N N 1.378 120.047 118.700 -0.051 0.000 2.453 244 N HA 0.134 4.874 4.740 -0.000 0.000 0.270 244 N C -0.998 174.531 175.510 0.032 0.000 1.195 244 N CA -0.451 52.599 53.050 0.000 0.000 0.902 244 N CB 0.202 38.693 38.487 0.007 0.000 1.186 244 N HN 0.012 nan 8.380 nan 0.000 0.510 245 K N 1.070 121.498 120.400 0.047 0.000 2.413 245 K HA 0.256 4.576 4.320 -0.000 0.000 0.257 245 K C 0.070 176.790 176.600 0.199 0.000 0.946 245 K CA -0.512 55.838 56.287 0.104 0.000 0.823 245 K CB 1.916 34.469 32.500 0.088 0.000 1.109 245 K HN 0.105 nan 8.250 nan 0.000 0.427 246 E N 3.525 123.824 120.200 0.165 0.000 2.568 246 E HA -0.065 4.284 4.350 -0.000 0.000 0.262 246 E C -1.833 174.874 176.600 0.178 0.000 0.961 246 E CA -0.953 55.539 56.400 0.152 0.000 0.945 246 E CB 0.092 29.851 29.700 0.098 0.000 0.924 246 E HN 0.261 nan 8.360 nan 0.000 0.467 247 P HA 0.064 nan 4.420 nan 0.000 0.214 247 P C 0.781 178.037 177.300 -0.072 0.000 1.826 247 P CA -0.069 62.953 63.100 -0.132 0.000 0.977 247 P CB -0.043 31.259 31.700 -0.662 0.000 1.930 248 V N 1.179 121.096 119.914 0.005 0.000 2.613 248 V HA -0.229 3.891 4.120 -0.000 0.000 0.259 248 V C 2.651 178.705 176.094 -0.066 0.000 1.099 248 V CA 2.535 64.768 62.300 -0.111 0.000 1.115 248 V CB -1.577 29.965 31.823 -0.469 0.000 0.686 248 V HN 0.404 nan 8.190 nan 0.000 0.481 249 G N -0.915 107.958 108.800 0.120 0.000 2.534 249 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 249 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 249 G C 1.498 176.309 174.900 -0.149 0.000 1.128 249 G CA 0.389 45.587 45.100 0.164 0.000 0.784 249 G HN 0.545 nan 8.290 nan 0.000 0.542 250 I N 0.354 120.825 120.570 -0.165 0.000 2.830 250 I HA 0.047 4.217 4.170 -0.000 0.000 0.263 250 I C 2.245 178.173 176.117 -0.316 0.000 1.230 250 I CA 0.251 61.445 61.300 -0.178 0.000 1.480 250 I CB 0.129 38.018 38.000 -0.184 0.000 1.095 250 I HN 0.122 nan 8.210 nan 0.000 0.455 251 L N 0.294 121.249 121.223 -0.446 0.000 2.131 251 L HA -0.184 4.155 4.340 -0.000 0.000 0.210 251 L C 2.384 178.586 176.870 -1.114 0.000 1.092 251 L CA 1.759 56.242 54.840 -0.595 0.000 0.759 251 L CB -0.955 40.790 42.059 -0.523 0.000 0.903 251 L HN 0.398 nan 8.230 nan 0.000 0.435 252 T N -3.870 109.853 114.554 -1.384 0.000 3.308 252 T HA -0.028 4.322 4.350 -0.000 0.000 0.255 252 T C 1.372 175.640 174.700 -0.719 0.000 1.162 252 T CA 0.713 61.903 62.100 -1.517 0.000 1.031 252 T CB -0.254 67.824 68.868 -1.317 0.000 0.973 252 T HN 0.401 nan 8.240 nan 0.000 0.544 253 S N -1.040 114.317 115.700 -0.572 0.000 2.603 253 S HA 0.285 4.755 4.470 -0.000 0.000 0.232 253 S C 0.532 174.932 174.600 -0.333 0.000 1.016 253 S CA -0.765 57.114 58.200 -0.536 0.000 0.976 253 S CB -0.146 62.703 63.200 -0.584 0.000 0.921 253 S HN 0.379 nan 8.310 nan 0.000 0.516 254 N N 1.919 120.460 118.700 -0.266 0.000 2.405 254 N HA 0.212 4.952 4.740 -0.000 0.000 0.269 254 N C -0.487 175.024 175.510 0.002 0.000 1.249 254 N CA -0.314 52.681 53.050 -0.092 0.000 0.974 254 N CB 0.307 38.775 38.487 -0.032 0.000 1.204 254 N HN 0.402 nan 8.380 nan 0.000 0.565 255 H N 1.058 120.117 119.070 -0.018 0.000 3.001 255 H HA 0.022 4.577 4.556 -0.001 0.000 0.334 255 H C 1.213 176.572 175.328 0.051 0.000 1.034 255 H CA 0.286 56.331 56.048 -0.006 0.000 1.420 255 H CB 0.678 30.424 29.762 -0.026 0.000 1.405 255 H HN 0.333 nan 8.280 nan 0.000 0.593 256 R N 3.311 123.744 120.500 -0.111 0.000 2.103 256 R HA -0.181 4.158 4.340 -0.000 0.000 0.242 256 R C 1.548 177.926 176.300 0.129 0.000 1.142 256 R CA 1.270 57.395 56.100 0.042 0.000 0.960 256 R CB -0.700 29.562 30.300 -0.063 0.000 0.858 256 R HN 0.705 nan 8.270 nan 0.000 0.439 257 N N 0.136 118.970 118.700 0.222 0.000 2.069 257 N HA -0.115 4.625 4.740 -0.000 0.000 0.191 257 N C 1.715 177.314 175.510 0.148 0.000 1.031 257 N CA 2.062 55.227 53.050 0.191 0.000 0.852 257 N CB -0.540 38.083 38.487 0.226 0.000 1.018 257 N HN 0.264 nan 8.380 nan 0.000 0.423 258 T N 0.582 115.250 114.554 0.191 0.000 2.668 258 T HA -0.154 4.196 4.350 -0.000 0.000 0.262 258 T C 1.558 176.391 174.700 0.222 0.000 1.045 258 T CA 0.850 63.042 62.100 0.152 0.000 1.152 258 T CB -0.652 68.294 68.868 0.130 0.000 0.864 258 T HN 0.474 nan 8.240 nan 0.000 0.419 259 W N 2.097 123.412 121.300 0.024 0.000 2.308 259 W HA -0.256 4.404 4.660 -0.000 0.000 0.301 259 W C 2.490 179.044 176.519 0.057 0.000 1.220 259 W CA 0.869 58.218 57.345 0.007 0.000 1.240 259 W CB -0.230 29.196 29.460 -0.056 0.000 1.142 259 W HN 0.335 nan 8.180 nan 0.000 0.521 260 A N 0.863 123.669 122.820 -0.023 0.000 1.873 260 A HA -0.318 4.001 4.320 -0.000 0.000 0.218 260 A C 1.967 179.502 177.584 -0.082 0.000 1.193 260 A CA 2.406 54.360 52.037 -0.139 0.000 0.629 260 A CB -1.169 17.807 19.000 -0.039 0.000 0.826 260 A HN 0.434 nan 8.150 nan 0.000 0.447 261 K N -0.543 119.854 120.400 -0.005 0.000 2.001 261 K HA -0.037 4.283 4.320 -0.000 0.000 0.208 261 K C 2.217 178.822 176.600 0.008 0.000 1.048 261 K CA 1.321 57.610 56.287 0.004 0.000 0.932 261 K CB -0.437 32.078 32.500 0.025 0.000 0.715 261 K HN 0.315 nan 8.250 nan 0.000 0.437 262 A N 0.774 123.642 122.820 0.080 0.000 1.892 262 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 262 A C 2.146 179.771 177.584 0.068 0.000 1.188 262 A CA 1.844 53.972 52.037 0.152 0.000 0.631 262 A CB -1.166 18.047 19.000 0.355 0.000 0.822 262 A HN 0.657 nan 8.150 nan 0.000 0.447 263 Y N 1.114 121.154 120.300 -0.433 0.000 2.097 263 Y HA -0.253 4.297 4.550 -0.000 0.000 0.282 263 Y C 2.358 178.081 175.900 -0.295 0.000 1.152 263 Y CA 2.121 59.765 58.100 -0.761 0.000 1.136 263 Y CB -0.478 37.065 38.460 -1.528 0.000 0.975 263 Y HN 0.360 nan 8.280 nan 0.000 0.498 264 N N 0.696 119.231 118.700 -0.274 0.000 2.104 264 N HA -0.255 4.485 4.740 -0.000 0.000 0.190 264 N C 1.636 177.032 175.510 -0.190 0.000 1.024 264 N CA 1.700 54.591 53.050 -0.265 0.000 0.853 264 N CB -0.609 37.811 38.487 -0.111 0.000 1.008 264 N HN 0.537 nan 8.380 nan 0.000 0.424 265 N N 0.517 119.156 118.700 -0.101 0.000 2.244 265 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 265 N C 1.725 177.208 175.510 -0.044 0.000 1.016 265 N CA 0.425 53.444 53.050 -0.051 0.000 0.866 265 N CB -0.228 38.255 38.487 -0.008 0.000 0.980 265 N HN 0.122 nan 8.380 nan 0.000 0.430 266 L N 1.338 122.532 121.223 -0.049 0.000 1.994 266 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 266 L C 1.681 178.534 176.870 -0.030 0.000 1.071 266 L CA 1.502 56.345 54.840 0.005 0.000 0.745 266 L CB -0.750 41.357 42.059 0.081 0.000 0.892 266 L HN 0.419 nan 8.230 nan 0.000 0.431 267 I N -3.559 116.911 120.570 -0.167 0.000 3.528 267 I HA -0.118 4.052 4.170 -0.000 0.000 0.298 267 I C 1.795 177.851 176.117 -0.102 0.000 1.281 267 I CA 0.558 61.763 61.300 -0.159 0.000 1.269 267 I CB -0.811 36.988 38.000 -0.335 0.000 1.013 267 I HN 0.234 nan 8.210 nan 0.000 0.512 268 K N 1.265 121.622 120.400 -0.072 0.000 2.097 268 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 268 K C 0.498 177.085 176.600 -0.022 0.000 1.050 268 K CA 0.899 57.159 56.287 -0.045 0.000 0.938 268 K CB -0.149 32.333 32.500 -0.030 0.000 0.718 268 K HN 0.399 nan 8.250 nan 0.000 0.442 269 D N 0.658 121.056 120.400 -0.002 0.000 2.345 269 D HA -0.023 4.617 4.640 -0.000 0.000 0.247 269 D C 0.989 177.292 176.300 0.004 0.000 1.108 269 D CA 0.011 54.019 54.000 0.012 0.000 0.894 269 D CB 1.068 41.893 40.800 0.041 0.000 1.203 269 D HN 0.048 nan 8.370 nan 0.000 0.430 270 K N 1.630 122.028 120.400 -0.003 0.000 1.985 270 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 270 K C 1.590 178.179 176.600 -0.019 0.000 1.047 270 K CA 1.125 57.404 56.287 -0.013 0.000 0.932 270 K CB -0.587 31.904 32.500 -0.015 0.000 0.716 270 K HN 0.268 nan 8.250 nan 0.000 0.439 271 V N 2.494 122.397 119.914 -0.019 0.000 2.392 271 V HA -0.248 3.871 4.120 -0.000 0.000 0.249 271 V C 1.847 177.910 176.094 -0.051 0.000 1.059 271 V CA 2.106 64.379 62.300 -0.046 0.000 1.051 271 V CB -0.913 30.881 31.823 -0.048 0.000 0.658 271 V HN 0.402 nan 8.190 nan 0.000 0.455 272 N N 0.179 118.897 118.700 0.029 0.000 2.166 272 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 272 N C 1.943 177.509 175.510 0.094 0.000 1.019 272 N CA 1.354 54.494 53.050 0.149 0.000 0.856 272 N CB -0.444 38.186 38.487 0.238 0.000 0.993 272 N HN 0.448 nan 8.380 nan 0.000 0.426 273 R N 1.004 121.517 120.500 0.022 0.000 2.115 273 R HA -0.051 4.288 4.340 -0.000 0.000 0.230 273 R C 1.944 178.227 176.300 -0.027 0.000 1.111 273 R CA 1.078 57.175 56.100 -0.006 0.000 0.976 273 R CB 0.011 30.294 30.300 -0.028 0.000 0.870 273 R HN 0.355 nan 8.270 nan 0.000 0.445 274 E N -0.313 119.854 120.200 -0.055 0.000 2.072 274 E HA -0.126 4.223 4.350 -0.000 0.000 0.191 274 E C 1.524 178.042 176.600 -0.137 0.000 0.985 274 E CA 1.437 57.785 56.400 -0.086 0.000 0.801 274 E CB 0.063 29.709 29.700 -0.089 0.000 0.750 274 E HN 0.240 nan 8.360 nan 0.000 0.452 275 S N 0.249 115.827 115.700 -0.204 0.000 2.368 275 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 275 S C 2.072 176.487 174.600 -0.308 0.000 1.029 275 S CA 1.171 59.150 58.200 -0.368 0.000 0.988 275 S CB -0.112 62.596 63.200 -0.820 0.000 0.838 275 S HN 0.166 nan 8.310 nan 0.000 0.462 276 V N 3.192 123.034 119.914 -0.120 0.000 2.307 276 V HA -0.196 3.923 4.120 -0.000 0.000 0.245 276 V C 2.345 178.358 176.094 -0.135 0.000 1.045 276 V CA 1.863 64.088 62.300 -0.124 0.000 1.024 276 V CB -0.894 31.042 31.823 0.189 0.000 0.651 276 V HN 0.621 nan 8.190 nan 0.000 0.449 277 N N -0.066 118.602 118.700 -0.054 0.000 2.069 277 N HA -0.237 4.503 4.740 -0.000 0.000 0.191 277 N C 2.150 177.598 175.510 -0.104 0.000 1.031 277 N CA 1.790 54.814 53.050 -0.042 0.000 0.852 277 N CB -0.057 38.408 38.487 -0.035 0.000 1.018 277 N HN 0.434 nan 8.380 nan 0.000 0.423 278 S N 0.992 116.625 115.700 -0.111 0.000 2.351 278 S HA -0.114 4.356 4.470 -0.000 0.000 0.220 278 S C 2.151 176.676 174.600 -0.124 0.000 1.035 278 S CA 1.267 59.455 58.200 -0.020 0.000 1.031 278 S CB -0.489 62.701 63.200 -0.016 0.000 0.928 278 S HN 0.396 nan 8.310 nan 0.000 0.433 279 I N 1.381 121.765 120.570 -0.310 0.000 2.236 279 I HA -0.264 3.906 4.170 -0.000 0.000 0.249 279 I C 2.583 178.533 176.117 -0.278 0.000 1.102 279 I CA 1.620 62.651 61.300 -0.447 0.000 1.365 279 I CB -0.514 36.931 38.000 -0.925 0.000 1.051 279 I HN 0.498 nan 8.210 nan 0.000 0.420 280 Q N 0.352 120.057 119.800 -0.159 0.000 2.436 280 Q HA -0.120 4.219 4.340 -0.000 0.000 0.209 280 Q C 1.846 177.896 176.000 0.083 0.000 0.965 280 Q CA 0.790 56.614 55.803 0.035 0.000 0.910 280 Q CB 0.066 28.892 28.738 0.146 0.000 0.980 280 Q HN 0.524 nan 8.270 nan 0.000 0.491 281 K N 0.094 120.453 120.400 -0.069 0.000 2.334 281 K HA 0.119 4.438 4.320 -0.000 0.000 0.195 281 K C 0.564 177.200 176.600 0.059 0.000 1.045 281 K CA -0.101 56.100 56.287 -0.144 0.000 1.004 281 K CB 0.580 32.874 32.500 -0.343 0.000 0.837 281 K HN -0.045 nan 8.250 nan 0.000 0.510 282 S N 1.300 116.975 115.700 -0.042 0.000 2.560 282 S HA -0.053 4.417 4.470 -0.000 0.000 0.276 282 S C 1.358 175.939 174.600 -0.031 0.000 1.350 282 S CA -0.088 58.004 58.200 -0.180 0.000 1.024 282 S CB 0.369 63.327 63.200 -0.403 0.000 0.864 282 S HN 0.097 nan 8.310 nan 0.000 0.536 283 I N 0.780 121.284 120.570 -0.110 0.000 2.546 283 I HA 0.075 4.245 4.170 -0.000 0.000 0.255 283 I C 0.374 176.602 176.117 0.185 0.000 1.163 283 I CA 0.910 62.221 61.300 0.018 0.000 1.457 283 I CB -0.331 37.656 38.000 -0.021 0.000 1.092 283 I HN 0.665 nan 8.210 nan 0.000 0.434 284 F N -3.579 116.427 119.950 0.094 0.000 3.265 284 F HA 0.563 5.089 4.527 -0.000 0.000 0.328 284 F C -1.052 174.820 175.800 0.121 0.000 1.117 284 F CA -1.411 56.682 58.000 0.156 0.000 0.850 284 F CB 0.402 39.526 39.000 0.208 0.000 1.470 284 F HN -0.494 nan 8.300 nan 0.000 0.473 285 T N 1.410 116.336 114.554 0.620 0.000 2.876 285 T HA 0.695 5.045 4.350 -0.000 0.000 0.289 285 T C -1.461 173.561 174.700 0.537 0.000 1.014 285 T CA -0.696 61.667 62.100 0.438 0.000 0.986 285 T CB 2.064 71.147 68.868 0.359 0.000 1.021 285 T HN 0.640 nan 8.240 nan 0.000 0.458 286 V N 2.246 122.396 119.914 0.394 0.000 2.448 286 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 286 V C -0.401 175.836 176.094 0.238 0.000 1.025 286 V CA -0.713 61.787 62.300 0.333 0.000 0.859 286 V CB 1.378 33.370 31.823 0.281 0.000 0.988 286 V HN 1.110 nan 8.190 nan 0.000 0.431 287 C N 6.277 125.710 119.300 0.222 0.000 2.322 287 C HA 0.608 5.068 4.460 -0.000 0.000 0.324 287 C C 0.021 175.130 174.990 0.198 0.000 1.284 287 C CA -1.057 58.062 59.018 0.168 0.000 1.606 287 C CB 0.224 28.043 27.740 0.133 0.000 2.251 287 C HN 0.691 nan 8.230 nan 0.000 0.502 288 L N 3.805 125.152 121.223 0.208 0.000 2.272 288 L HA 0.327 4.667 4.340 -0.000 0.000 0.284 288 L C -0.067 176.970 176.870 0.277 0.000 1.045 288 L CA 0.014 55.028 54.840 0.290 0.000 0.842 288 L CB 0.161 42.434 42.059 0.357 0.000 1.224 288 L HN 0.658 nan 8.230 nan 0.000 0.430 289 D N 2.926 123.478 120.400 0.253 0.000 2.393 289 D HA 0.206 4.846 4.640 -0.000 0.000 0.246 289 D C 0.214 176.640 176.300 0.210 0.000 1.275 289 D CA -0.091 54.029 54.000 0.201 0.000 0.979 289 D CB 1.087 41.997 40.800 0.184 0.000 1.101 289 D HN 0.438 nan 8.370 nan 0.000 0.505 290 K N -0.608 119.879 120.400 0.145 0.000 2.258 290 K HA 0.323 4.642 4.320 -0.000 0.000 0.236 290 K C -0.193 176.488 176.600 0.134 0.000 1.008 290 K CA -0.910 55.456 56.287 0.131 0.000 0.869 290 K CB 1.243 33.769 32.500 0.043 0.000 1.171 290 K HN 0.246 nan 8.250 nan 0.000 0.447 291 Q N 1.695 121.573 119.800 0.130 0.000 2.289 291 Q HA 0.136 4.476 4.340 -0.000 0.000 0.273 291 Q C -0.468 175.548 176.000 0.025 0.000 1.029 291 Q CA -0.589 55.270 55.803 0.093 0.000 0.896 291 Q CB 0.698 29.497 28.738 0.102 0.000 1.182 291 Q HN 0.522 nan 8.270 nan 0.000 0.385 292 V N 1.727 121.607 119.914 -0.057 0.000 2.919 292 V HA 0.685 4.805 4.120 -0.000 0.000 0.316 292 V C -2.402 173.599 176.094 -0.155 0.000 1.077 292 V CA -2.366 59.782 62.300 -0.252 0.000 0.977 292 V CB 0.828 32.382 31.823 -0.449 0.000 1.039 292 V HN 0.777 nan 8.190 nan 0.000 0.441 293 P HA 0.141 nan 4.420 nan 0.000 0.264 293 P C -0.418 176.856 177.300 -0.044 0.000 1.179 293 P CA 0.141 63.210 63.100 -0.051 0.000 0.763 293 P CB 0.249 31.951 31.700 0.003 0.000 0.806 294 R N 1.439 121.926 120.500 -0.021 0.000 2.490 294 R HA 0.414 4.754 4.340 -0.000 0.000 0.278 294 R C 0.027 176.289 176.300 -0.064 0.000 1.069 294 R CA -0.317 55.765 56.100 -0.029 0.000 1.080 294 R CB 0.805 31.089 30.300 -0.026 0.000 1.030 294 R HN 0.414 nan 8.270 nan 0.000 0.491 295 V N -1.642 118.214 119.914 -0.096 0.000 3.167 295 V HA 0.526 4.646 4.120 -0.000 0.000 0.310 295 V C 0.049 176.083 176.094 -0.101 0.000 1.207 295 V CA -1.090 61.107 62.300 -0.172 0.000 1.059 295 V CB 1.900 33.406 31.823 -0.527 0.000 1.079 295 V HN 0.670 nan 8.190 nan 0.000 0.446 296 S N 1.202 116.849 115.700 -0.088 0.000 2.572 296 S HA 0.132 4.602 4.470 -0.000 0.000 0.279 296 S C 0.606 175.196 174.600 -0.016 0.000 1.341 296 S CA 0.057 58.231 58.200 -0.043 0.000 1.043 296 S CB 0.443 63.632 63.200 -0.019 0.000 0.887 296 S HN 0.883 nan 8.310 nan 0.000 0.516 297 D N 1.594 121.978 120.400 -0.027 0.000 2.351 297 D HA -0.113 4.527 4.640 -0.000 0.000 0.216 297 D C 1.162 177.487 176.300 0.042 0.000 0.968 297 D CA 0.737 54.731 54.000 -0.011 0.000 0.899 297 D CB -0.172 40.589 40.800 -0.065 0.000 0.907 297 D HN 0.702 nan 8.370 nan 0.000 0.514 298 D N 0.420 120.840 120.400 0.034 0.000 2.339 298 D HA -0.066 4.574 4.640 -0.000 0.000 0.217 298 D C 1.517 177.858 176.300 0.069 0.000 1.050 298 D CA 0.240 54.267 54.000 0.046 0.000 0.856 298 D CB 0.283 41.104 40.800 0.035 0.000 0.922 298 D HN 0.268 nan 8.370 nan 0.000 0.518 299 V N -3.509 116.453 119.914 0.081 0.000 3.261 299 V HA 0.232 4.352 4.120 -0.000 0.000 0.330 299 V C 1.355 177.531 176.094 0.136 0.000 1.461 299 V CA -0.736 61.637 62.300 0.122 0.000 1.127 299 V CB -0.781 31.135 31.823 0.154 0.000 1.044 299 V HN -0.063 nan 8.190 nan 0.000 0.499 300 Y N 2.727 123.011 120.300 -0.026 0.000 2.109 300 Y HA -0.009 4.540 4.550 -0.001 0.000 0.285 300 Y C 2.610 178.519 175.900 0.014 0.000 1.131 300 Y CA 2.405 60.476 58.100 -0.049 0.000 1.121 300 Y CB -0.022 38.397 38.460 -0.069 0.000 0.987 300 Y HN 0.192 nan 8.280 nan 0.000 0.495 301 R N -0.018 120.412 120.500 -0.117 0.000 2.120 301 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 301 R C 1.881 178.064 176.300 -0.195 0.000 1.123 301 R CA 1.287 57.271 56.100 -0.193 0.000 0.975 301 R CB -0.432 29.834 30.300 -0.056 0.000 0.866 301 R HN 0.382 nan 8.270 nan 0.000 0.446 302 N N 0.336 118.979 118.700 -0.095 0.000 2.120 302 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 302 N C 1.595 177.030 175.510 -0.125 0.000 1.024 302 N CA 1.422 54.407 53.050 -0.108 0.000 0.852 302 N CB -0.378 38.101 38.487 -0.013 0.000 1.003 302 N HN 0.344 nan 8.380 nan 0.000 0.424 303 H N -0.057 118.904 119.070 -0.182 0.000 2.357 303 H HA 0.061 4.617 4.556 -0.001 0.000 0.301 303 H C 2.089 177.271 175.328 -0.242 0.000 1.082 303 H CA 0.981 56.927 56.048 -0.170 0.000 1.342 303 H CB -0.285 29.385 29.762 -0.154 0.000 1.389 303 H HN -0.069 nan 8.280 nan 0.000 0.511 304 V N 0.623 120.387 119.914 -0.252 0.000 2.295 304 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 304 V C 2.598 178.597 176.094 -0.158 0.000 1.049 304 V CA 1.700 63.840 62.300 -0.267 0.000 1.024 304 V CB -1.126 30.455 31.823 -0.403 0.000 0.648 304 V HN 0.575 nan 8.190 nan 0.000 0.447 305 A N 0.561 123.241 122.820 -0.233 0.000 1.940 305 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 305 A C 2.381 179.873 177.584 -0.154 0.000 1.176 305 A CA 2.069 53.898 52.037 -0.346 0.000 0.631 305 A CB -1.122 17.349 19.000 -0.882 0.000 0.814 305 A HN 0.554 nan 8.150 nan 0.000 0.446 306 G N -1.716 106.960 108.800 -0.208 0.000 2.403 306 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 306 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 306 G C 1.588 176.140 174.900 -0.580 0.000 1.154 306 G CA 0.751 45.654 45.100 -0.327 0.000 0.784 306 G HN 0.464 nan 8.290 nan 0.000 0.538 307 Q N -0.460 119.188 119.800 -0.252 0.000 2.096 307 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 307 Q C 2.716 178.673 176.000 -0.072 0.000 0.982 307 Q CA 1.032 56.750 55.803 -0.141 0.000 0.850 307 Q CB -0.196 28.507 28.738 -0.058 0.000 0.901 307 Q HN 0.378 nan 8.270 nan 0.000 0.422 308 M N -0.232 119.367 119.600 -0.001 0.000 2.077 308 M HA -0.142 4.337 4.480 -0.000 0.000 0.261 308 M C 2.338 178.691 176.300 0.089 0.000 1.070 308 M CA 0.967 56.318 55.300 0.084 0.000 1.125 308 M CB -1.269 31.443 32.600 0.186 0.000 1.339 308 M HN 0.166 nan 8.290 nan 0.000 0.409 309 L N 0.422 121.709 121.223 0.106 0.000 1.989 309 L HA -0.229 4.110 4.340 -0.000 0.000 0.211 309 L C 2.580 179.519 176.870 0.116 0.000 1.071 309 L CA 1.892 56.811 54.840 0.131 0.000 0.749 309 L CB -0.458 41.752 42.059 0.252 0.000 0.890 309 L HN 0.515 nan 8.230 nan 0.000 0.431 310 H N -4.444 114.700 119.070 0.124 0.000 3.535 310 H HA 0.377 4.932 4.556 -0.001 0.000 0.260 310 H C 1.408 176.836 175.328 0.166 0.000 1.173 310 H CA 0.698 56.793 56.048 0.078 0.000 1.168 310 H CB 0.407 30.147 29.762 -0.037 0.000 1.568 310 H HN 0.256 nan 8.280 nan 0.000 0.602 311 G N 0.750 109.555 108.800 0.009 0.000 2.176 311 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.253 311 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.253 311 G C 1.362 176.401 174.900 0.232 0.000 0.979 311 G CA 0.949 46.133 45.100 0.141 0.000 0.641 311 G HN 1.329 nan 8.290 nan 0.000 0.530 312 G N -1.423 107.568 108.800 0.318 0.000 2.320 312 G HA2 0.418 4.378 3.960 -0.000 0.000 0.242 312 G HA3 0.418 4.378 3.960 -0.000 0.000 0.242 312 G C 1.482 176.681 174.900 0.498 0.000 1.033 312 G CA 0.971 46.368 45.100 0.495 0.000 0.620 312 G HN 2.949 nan 8.290 nan 0.000 0.517 313 G N -1.842 107.156 108.800 0.330 0.000 2.359 313 G HA2 0.500 4.460 3.960 -0.000 0.000 0.314 313 G HA3 0.500 4.460 3.960 -0.000 0.000 0.314 313 G C 0.782 175.682 174.900 0.000 0.000 1.364 313 G CA 0.897 46.049 45.100 0.087 0.000 0.978 313 G HN 1.671 nan 8.290 nan 0.000 0.615 314 S N -0.243 115.405 115.700 -0.086 0.000 2.419 314 S HA -0.142 4.327 4.470 -0.000 0.000 0.235 314 S C 1.783 176.340 174.600 -0.071 0.000 1.019 314 S CA 1.869 60.009 58.200 -0.101 0.000 0.982 314 S CB -0.167 62.971 63.200 -0.104 0.000 0.789 314 S HN 1.041 nan 8.310 nan 0.000 0.490 315 K N 0.368 120.644 120.400 -0.207 0.000 2.404 315 K HA 0.289 4.609 4.320 -0.000 0.000 0.194 315 K C 0.436 176.980 176.600 -0.093 0.000 1.023 315 K CA -0.084 56.079 56.287 -0.207 0.000 1.094 315 K CB -0.373 31.891 32.500 -0.392 0.000 0.841 315 K HN 0.538 nan 8.250 nan 0.000 0.523 316 F N 1.116 121.167 119.950 0.169 0.000 2.186 316 F HA 0.262 4.789 4.527 -0.001 0.000 0.195 316 F C 0.717 176.651 175.800 0.225 0.000 1.284 316 F CA -1.168 56.932 58.000 0.167 0.000 1.259 316 F CB 0.258 39.337 39.000 0.131 0.000 1.795 316 F HN -0.154 nan 8.300 nan 0.000 0.270 317 N N 0.132 119.090 118.700 0.430 0.000 2.598 317 N HA 0.197 4.937 4.740 -0.000 0.000 0.309 317 N C -0.111 175.531 175.510 0.220 0.000 1.645 317 N CA 0.150 53.381 53.050 0.303 0.000 0.936 317 N CB 1.235 39.858 38.487 0.225 0.000 1.323 317 N HN 0.105 nan 8.380 nan 0.000 0.497 318 S N -0.564 115.230 115.700 0.157 0.000 2.468 318 S HA 0.060 4.530 4.470 -0.000 0.000 0.226 318 S C 1.858 176.464 174.600 0.009 0.000 1.051 318 S CA 0.295 58.574 58.200 0.132 0.000 0.943 318 S CB 0.324 63.566 63.200 0.071 0.000 0.810 318 S HN 0.513 nan 8.310 nan 0.000 0.509 319 G N 0.942 109.568 108.800 -0.290 0.000 2.985 319 G HA2 0.018 3.978 3.960 -0.000 0.000 0.209 319 G HA3 0.018 3.978 3.960 -0.000 0.000 0.209 319 G C 0.458 175.213 174.900 -0.242 0.000 1.165 319 G CA -0.115 44.681 45.100 -0.506 0.000 0.776 319 G HN 0.353 nan 8.290 nan 0.000 0.541 320 N N 0.492 119.191 118.700 -0.002 0.000 2.839 320 N HA 0.259 4.999 4.740 -0.000 0.000 0.314 320 N C 0.074 175.575 175.510 -0.015 0.000 1.449 320 N CA -0.264 52.834 53.050 0.080 0.000 1.050 320 N CB 0.101 38.708 38.487 0.200 0.000 1.364 320 N HN 0.045 nan 8.380 nan 0.000 0.512 321 R N -0.461 120.025 120.500 -0.022 0.000 2.829 321 R HA 0.380 4.720 4.340 -0.000 0.000 0.267 321 R C -1.675 174.745 176.300 0.200 0.000 1.051 321 R CA -0.655 55.382 56.100 -0.105 0.000 0.927 321 R CB 1.157 31.074 30.300 -0.639 0.000 1.292 321 R HN 0.185 nan 8.270 nan 0.000 0.445 322 W N 1.706 122.857 121.300 -0.249 0.000 2.916 322 W HA 0.238 4.897 4.660 -0.000 0.000 0.317 322 W C -1.017 175.355 176.519 -0.245 0.000 1.047 322 W CA -0.526 56.773 57.345 -0.077 0.000 1.234 322 W CB 0.544 30.075 29.460 0.117 0.000 1.143 322 W HN 0.591 nan 8.180 nan 0.000 0.372 323 F N 1.695 121.515 119.950 -0.215 0.000 2.661 323 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 323 F C 1.886 177.649 175.800 -0.061 0.000 1.137 323 F CA 0.750 58.679 58.000 -0.119 0.000 1.454 323 F CB -0.150 38.736 39.000 -0.189 0.000 1.103 323 F HN 0.053 nan 8.300 nan 0.000 0.577 324 D N 0.302 120.728 120.400 0.044 0.000 2.149 324 D HA -0.094 4.545 4.640 -0.000 0.000 0.201 324 D C 1.135 177.594 176.300 0.266 0.000 0.972 324 D CA 0.780 54.887 54.000 0.177 0.000 0.835 324 D CB -0.208 40.747 40.800 0.258 0.000 0.966 324 D HN -0.009 nan 8.370 nan 0.000 0.476 325 K N 1.107 121.748 120.400 0.402 0.000 2.530 325 K HA -0.055 4.265 4.320 -0.000 0.000 0.280 325 K C 1.058 177.796 176.600 0.230 0.000 1.004 325 K CA 0.350 56.839 56.287 0.336 0.000 1.071 325 K CB 0.444 33.161 32.500 0.362 0.000 0.876 325 K HN -0.159 nan 8.250 nan 0.000 0.487 326 T N 3.724 118.406 114.554 0.214 0.000 2.652 326 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 326 T C 0.409 175.232 174.700 0.205 0.000 1.039 326 T CA 1.184 63.393 62.100 0.183 0.000 1.153 326 T CB -0.070 68.906 68.868 0.180 0.000 0.863 326 T HN 0.415 nan 8.240 nan 0.000 0.428 327 L N 1.484 122.862 121.223 0.257 0.000 2.305 327 L HA 0.482 4.821 4.340 -0.000 0.000 0.284 327 L C -0.325 176.726 176.870 0.301 0.000 1.013 327 L CA -0.488 54.505 54.840 0.254 0.000 0.819 327 L CB 1.705 44.001 42.059 0.395 0.000 1.227 327 L HN 0.098 nan 8.230 nan 0.000 0.417 328 Q N 3.135 123.005 119.800 0.117 0.000 2.327 328 Q HA 0.476 4.816 4.340 -0.000 0.000 0.270 328 Q C -1.503 174.519 176.000 0.038 0.000 1.022 328 Q CA -0.620 55.291 55.803 0.180 0.000 0.773 328 Q CB 2.328 31.118 28.738 0.086 0.000 1.251 328 Q HN 0.364 nan 8.270 nan 0.000 0.457 329 F N 3.022 123.014 119.950 0.069 0.000 2.408 329 F HA 0.465 4.992 4.527 -0.000 0.000 0.344 329 F C 0.247 176.099 175.800 0.087 0.000 1.112 329 F CA -0.557 57.458 58.000 0.026 0.000 1.096 329 F CB 0.747 39.699 39.000 -0.081 0.000 1.129 329 F HN 0.320 nan 8.300 nan 0.000 0.486 330 I N 3.528 124.221 120.570 0.205 0.000 2.404 330 I HA 0.463 4.633 4.170 -0.000 0.000 0.293 330 I C -0.941 175.335 176.117 0.265 0.000 0.992 330 I CA -0.870 60.552 61.300 0.204 0.000 1.149 330 I CB 1.891 39.974 38.000 0.138 0.000 1.315 330 I HN 0.161 nan 8.210 nan 0.000 0.446 331 V N 6.009 126.096 119.914 0.289 0.000 2.357 331 V HA 0.462 4.582 4.120 -0.000 0.000 0.281 331 V C 0.387 176.689 176.094 0.348 0.000 1.015 331 V CA -0.593 61.929 62.300 0.370 0.000 0.827 331 V CB 1.346 33.398 31.823 0.380 0.000 1.018 331 V HN 0.850 nan 8.190 nan 0.000 0.432 332 A N 2.995 126.016 122.820 0.334 0.000 2.386 332 A HA 0.415 4.735 4.320 -0.000 0.000 0.248 332 A C 1.354 179.177 177.584 0.399 0.000 1.082 332 A CA -0.000 52.210 52.037 0.289 0.000 0.789 332 A CB 0.469 19.578 19.000 0.182 0.000 1.025 332 A HN 0.781 nan 8.150 nan 0.000 0.490 333 E N 0.911 121.305 120.200 0.324 0.000 2.077 333 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 333 E C 0.970 177.759 176.600 0.314 0.000 0.989 333 E CA 1.775 58.391 56.400 0.359 0.000 0.800 333 E CB -0.138 29.726 29.700 0.273 0.000 0.746 333 E HN 0.819 nan 8.360 nan 0.000 0.452 334 D N -1.271 119.226 120.400 0.162 0.000 2.336 334 D HA 0.030 4.670 4.640 -0.000 0.000 0.229 334 D C 1.151 177.347 176.300 -0.174 0.000 1.061 334 D CA 0.968 54.989 54.000 0.034 0.000 0.875 334 D CB -0.053 40.782 40.800 0.059 0.000 0.904 334 D HN 0.306 nan 8.370 nan 0.000 0.525 335 G N -0.731 107.840 108.800 -0.382 0.000 2.195 335 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.224 335 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.224 335 G C 0.344 174.960 174.900 -0.472 0.000 0.990 335 G CA 0.120 44.584 45.100 -1.059 0.000 0.639 335 G HN 0.415 nan 8.290 nan 0.000 0.514 336 S N -0.033 115.607 115.700 -0.099 0.000 2.617 336 S HA 0.682 5.152 4.470 -0.000 0.000 0.269 336 S C 0.492 175.147 174.600 0.092 0.000 1.292 336 S CA 0.321 58.523 58.200 0.003 0.000 1.010 336 S CB 1.602 64.827 63.200 0.042 0.000 0.944 336 S HN 1.609 nan 8.310 nan 0.000 0.536 337 C N -0.150 119.205 119.300 0.092 0.000 2.985 337 C HA 1.034 5.493 4.460 -0.000 0.000 0.314 337 C C 0.160 175.239 174.990 0.148 0.000 1.215 337 C CA -0.184 58.943 59.018 0.181 0.000 1.414 337 C CB 0.764 28.663 27.740 0.266 0.000 1.842 337 C HN 1.018 nan 8.230 nan 0.000 0.477 338 G N 1.696 110.585 108.800 0.147 0.000 2.500 338 G HA2 0.862 4.821 3.960 -0.000 0.000 0.299 338 G HA3 0.862 4.821 3.960 -0.000 0.000 0.299 338 G C -1.375 173.516 174.900 -0.014 0.000 1.242 338 G CA -0.233 44.908 45.100 0.069 0.000 0.859 338 G HN 1.921 nan 8.290 nan 0.000 0.481 339 M N -1.362 118.176 119.600 -0.102 0.000 2.562 339 M HA 0.733 5.213 4.480 -0.000 0.000 0.281 339 M C -2.040 174.177 176.300 -0.139 0.000 1.195 339 M CA -1.043 54.133 55.300 -0.207 0.000 0.888 339 M CB 1.990 34.255 32.600 -0.558 0.000 1.731 339 M HN 1.253 nan 8.290 nan 0.000 0.493 340 V N 3.344 123.213 119.914 -0.075 0.000 2.483 340 V HA 0.770 4.890 4.120 -0.000 0.000 0.297 340 V C -1.713 174.420 176.094 0.065 0.000 1.027 340 V CA -0.217 62.087 62.300 0.008 0.000 0.855 340 V CB 1.731 33.591 31.823 0.062 0.000 0.995 340 V HN 0.930 nan 8.190 nan 0.000 0.424 341 Y N 3.069 123.288 120.300 -0.136 0.000 2.549 341 Y HA 0.765 5.314 4.550 -0.001 0.000 0.339 341 Y C -0.023 175.834 175.900 -0.072 0.000 1.053 341 Y CA -1.140 56.896 58.100 -0.108 0.000 1.105 341 Y CB 1.344 39.704 38.460 -0.166 0.000 1.258 341 Y HN 0.537 nan 8.280 nan 0.000 0.478 342 E N 1.884 122.003 120.200 -0.135 0.000 2.299 342 E HA -0.027 4.323 4.350 -0.000 0.000 0.272 342 E C 0.266 176.664 176.600 -0.337 0.000 1.043 342 E CA 0.358 56.646 56.400 -0.187 0.000 0.895 342 E CB 0.280 29.968 29.700 -0.020 0.000 1.011 342 E HN 0.851 nan 8.360 nan 0.000 0.432 343 H N 3.798 122.528 119.070 -0.567 0.000 2.524 343 H HA 0.027 4.583 4.556 -0.001 0.000 0.282 343 H C 1.427 176.227 175.328 -0.880 0.000 1.016 343 H CA 1.232 56.870 56.048 -0.684 0.000 1.270 343 H CB 0.360 29.734 29.762 -0.647 0.000 1.394 343 H HN 0.568 nan 8.280 nan 0.000 0.568 344 A N 0.893 123.318 122.820 -0.659 0.000 1.865 344 A HA -0.150 4.169 4.320 -0.000 0.000 0.217 344 A C 2.712 180.151 177.584 -0.241 0.000 1.191 344 A CA 2.004 53.670 52.037 -0.619 0.000 0.623 344 A CB -1.177 17.672 19.000 -0.253 0.000 0.826 344 A HN 0.485 nan 8.150 nan 0.000 0.444 345 A N -0.433 122.326 122.820 -0.103 0.000 1.849 345 A HA 0.291 4.611 4.320 -0.000 0.000 0.216 345 A C 1.515 179.105 177.584 0.010 0.000 1.225 345 A CA 2.381 54.413 52.037 -0.008 0.000 0.653 345 A CB -1.055 17.967 19.000 0.036 0.000 0.844 345 A HN 1.584 nan 8.150 nan 0.000 0.453 346 A N -2.429 120.410 122.820 0.033 0.000 2.483 346 A HA 0.678 4.998 4.320 -0.000 0.000 0.286 346 A C -0.259 177.383 177.584 0.098 0.000 1.207 346 A CA -0.439 51.607 52.037 0.015 0.000 0.764 346 A CB 0.560 19.493 19.000 -0.113 0.000 1.341 346 A HN 0.326 nan 8.150 nan 0.000 0.428 347 E N -0.760 119.472 120.200 0.052 0.000 4.126 347 E HA 0.474 4.823 4.350 -0.000 0.000 0.314 347 E C 1.523 178.092 176.600 -0.051 0.000 1.438 347 E CA 0.776 57.235 56.400 0.099 0.000 1.682 347 E CB -0.011 29.744 29.700 0.091 0.000 1.454 347 E HN 0.644 nan 8.360 nan 0.000 0.810 348 G N -0.231 108.540 108.800 -0.047 0.000 2.411 348 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.213 348 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.213 348 G C -1.193 173.593 174.900 -0.190 0.000 1.166 348 G CA 0.249 45.253 45.100 -0.159 0.000 0.802 348 G HN 0.338 nan 8.290 nan 0.000 0.533 349 P HA -0.046 nan 4.420 nan 0.000 0.215 349 P C -1.388 175.864 177.300 -0.079 0.000 1.153 349 P CA 1.473 64.531 63.100 -0.070 0.000 0.853 349 P CB -0.626 31.063 31.700 -0.018 0.000 0.788 350 P HA -0.088 nan 4.420 nan 0.000 0.218 350 P C 1.346 178.496 177.300 -0.250 0.000 1.149 350 P CA 1.086 63.942 63.100 -0.407 0.000 0.817 350 P CB -0.443 30.769 31.700 -0.812 0.000 0.785 351 I N -0.829 119.546 120.570 -0.324 0.000 2.439 351 I HA -0.090 4.079 4.170 -0.000 0.000 0.251 351 I C 1.996 177.938 176.117 -0.292 0.000 1.139 351 I CA 1.519 62.589 61.300 -0.383 0.000 1.438 351 I CB -1.392 36.169 38.000 -0.732 0.000 1.085 351 I HN -0.049 nan 8.210 nan 0.000 0.427 352 V N -1.418 118.364 119.914 -0.220 0.000 3.649 352 V HA 0.375 4.495 4.120 -0.000 0.000 0.275 352 V C 2.041 178.085 176.094 -0.084 0.000 1.281 352 V CA 0.766 62.975 62.300 -0.153 0.000 1.143 352 V CB -0.518 31.232 31.823 -0.122 0.000 0.892 352 V HN 0.188 nan 8.190 nan 0.000 0.441 353 A N 0.487 123.284 122.820 -0.039 0.000 2.081 353 A HA 0.302 4.622 4.320 -0.000 0.000 0.214 353 A C 1.988 179.475 177.584 -0.162 0.000 1.158 353 A CA 1.225 53.287 52.037 0.042 0.000 0.724 353 A CB -0.100 19.058 19.000 0.264 0.000 0.826 353 A HN 0.612 nan 8.150 nan 0.000 0.463 354 L N -0.771 120.175 121.223 -0.461 0.000 2.307 354 L HA 0.054 4.393 4.340 -0.000 0.000 0.211 354 L C 1.865 178.471 176.870 -0.440 0.000 1.099 354 L CA 0.660 54.836 54.840 -1.107 0.000 0.816 354 L CB 0.090 41.512 42.059 -1.062 0.000 0.952 354 L HN 0.128 nan 8.230 nan 0.000 0.455 355 V N 0.368 120.149 119.914 -0.222 0.000 2.283 355 V HA -0.214 3.906 4.120 -0.000 0.000 0.243 355 V C 2.100 178.177 176.094 -0.028 0.000 1.039 355 V CA 1.963 64.207 62.300 -0.092 0.000 1.016 355 V CB -0.583 31.187 31.823 -0.089 0.000 0.650 355 V HN 0.413 nan 8.190 nan 0.000 0.449 356 D N -0.717 119.673 120.400 -0.016 0.000 2.116 356 D HA -0.217 4.422 4.640 -0.000 0.000 0.193 356 D C 2.094 178.428 176.300 0.057 0.000 0.998 356 D CA 1.711 55.728 54.000 0.029 0.000 0.836 356 D CB -0.443 40.383 40.800 0.042 0.000 0.951 356 D HN 0.540 nan 8.370 nan 0.000 0.449 357 H N 0.594 119.659 119.070 -0.009 0.000 2.321 357 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 357 H C 2.046 177.421 175.328 0.077 0.000 1.087 357 H CA 1.235 57.320 56.048 0.062 0.000 1.319 357 H CB -0.204 29.637 29.762 0.132 0.000 1.379 357 H HN -0.019 nan 8.280 nan 0.000 0.501 358 V N 1.394 121.339 119.914 0.052 0.000 2.343 358 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 358 V C 2.880 178.999 176.094 0.042 0.000 1.051 358 V CA 1.620 63.934 62.300 0.023 0.000 1.036 358 V CB -0.504 31.330 31.823 0.019 0.000 0.654 358 V HN 0.360 nan 8.190 nan 0.000 0.451 359 M N -0.178 119.454 119.600 0.054 0.000 2.159 359 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 359 M C 2.224 178.566 176.300 0.070 0.000 1.063 359 M CA 1.600 56.954 55.300 0.090 0.000 1.110 359 M CB -1.238 31.412 32.600 0.084 0.000 1.374 359 M HN 0.570 nan 8.290 nan 0.000 0.411 360 E N -0.718 119.498 120.200 0.027 0.000 2.204 360 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 360 E C 1.882 178.482 176.600 0.000 0.000 0.989 360 E CA 1.029 57.432 56.400 0.005 0.000 0.824 360 E CB -0.257 29.433 29.700 -0.016 0.000 0.756 360 E HN 0.558 nan 8.360 nan 0.000 0.477 361 Y N 1.763 121.971 120.300 -0.153 0.000 2.395 361 Y HA -0.076 4.474 4.550 -0.001 0.000 0.293 361 Y C 2.388 178.253 175.900 -0.059 0.000 1.123 361 Y CA 1.959 59.977 58.100 -0.136 0.000 1.227 361 Y CB -0.099 38.247 38.460 -0.191 0.000 1.012 361 Y HN 0.160 nan 8.280 nan 0.000 0.552 362 T N -2.690 111.952 114.554 0.148 0.000 3.085 362 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 362 T C 1.078 175.813 174.700 0.058 0.000 1.127 362 T CA 0.672 62.843 62.100 0.119 0.000 1.103 362 T CB -0.223 68.754 68.868 0.181 0.000 0.921 362 T HN 0.212 nan 8.240 nan 0.000 0.510 363 K N 0.668 121.076 120.400 0.013 0.000 2.681 363 K HA 0.324 4.644 4.320 -0.000 0.000 0.211 363 K C -0.267 176.295 176.600 -0.062 0.000 1.075 363 K CA -0.208 56.075 56.287 -0.006 0.000 1.141 363 K CB 0.513 33.021 32.500 0.013 0.000 0.896 363 K HN 0.261 nan 8.250 nan 0.000 0.470 364 K N 1.188 121.510 120.400 -0.131 0.000 2.156 364 K HA 0.342 4.662 4.320 -0.000 0.000 0.250 364 K C -2.558 173.959 176.600 -0.138 0.000 0.955 364 K CA -2.085 54.098 56.287 -0.173 0.000 0.855 364 K CB 1.083 33.384 32.500 -0.331 0.000 1.101 364 K HN -0.141 nan 8.250 nan 0.000 0.434 365 P HA -0.079 nan 4.420 nan 0.000 0.266 365 P C -0.787 176.462 177.300 -0.085 0.000 1.186 365 P CA 0.176 63.228 63.100 -0.080 0.000 0.767 365 P CB 0.431 32.092 31.700 -0.066 0.000 0.820 366 E N 2.691 122.854 120.200 -0.063 0.000 2.346 366 E HA 0.089 4.439 4.350 -0.000 0.000 0.317 366 E C 0.354 176.925 176.600 -0.048 0.000 1.404 366 E CA -0.118 56.247 56.400 -0.058 0.000 1.534 366 E CB -0.525 29.145 29.700 -0.050 0.000 1.309 366 E HN 0.424 nan 8.360 nan 0.000 0.499 367 L N 0.300 121.492 121.223 -0.051 0.000 2.535 367 L HA -0.133 4.207 4.340 -0.000 0.000 0.301 367 L C 0.856 177.709 176.870 -0.029 0.000 1.275 367 L CA 0.078 54.895 54.840 -0.038 0.000 0.843 367 L CB -0.037 42.000 42.059 -0.037 0.000 1.094 367 L HN 0.057 nan 8.230 nan 0.000 0.532 368 V N 2.686 122.586 119.914 -0.022 0.000 2.923 368 V HA -0.189 3.931 4.120 -0.000 0.000 0.286 368 V C 1.141 177.226 176.094 -0.016 0.000 1.376 368 V CA 0.569 62.858 62.300 -0.018 0.000 1.423 368 V CB -0.392 31.423 31.823 -0.014 0.000 0.865 368 V HN 0.676 nan 8.190 nan 0.000 0.514 369 R N 2.163 122.653 120.500 -0.016 0.000 2.696 369 R HA 0.722 5.062 4.340 -0.000 0.000 0.218 369 R C 0.274 176.569 176.300 -0.008 0.000 1.202 369 R CA -0.046 56.046 56.100 -0.013 0.000 1.043 369 R CB 0.369 30.660 30.300 -0.017 0.000 1.292 369 R HN 0.821 nan 8.270 nan 0.000 0.521 370 S N -0.848 114.849 115.700 -0.005 0.000 2.680 370 S HA 0.249 4.719 4.470 -0.000 0.000 0.284 370 S C -2.884 171.717 174.600 0.001 0.000 1.055 370 S CA -0.992 57.207 58.200 -0.003 0.000 0.849 370 S CB 0.615 63.814 63.200 -0.002 0.000 1.068 370 S HN 0.289 nan 8.310 nan 0.000 0.453 371 P HA 0.304 nan 4.420 nan 0.000 0.264 371 P C -0.491 176.813 177.300 0.007 0.000 1.193 371 P CA -0.209 62.892 63.100 0.002 0.000 0.763 371 P CB 0.195 31.894 31.700 -0.002 0.000 0.810 372 M N 4.323 123.932 119.600 0.015 0.000 2.245 372 M HA 0.214 4.694 4.480 -0.000 0.000 0.330 372 M C -0.396 175.916 176.300 0.019 0.000 1.098 372 M CA -0.120 55.195 55.300 0.025 0.000 1.172 372 M CB 0.432 33.052 32.600 0.032 0.000 1.467 372 M HN 0.231 nan 8.290 nan 0.000 0.454 373 V N 2.117 122.048 119.914 0.029 0.000 3.019 373 V HA 0.794 4.914 4.120 -0.000 0.000 0.317 373 V C -2.510 173.606 176.094 0.037 0.000 1.094 373 V CA -2.165 60.149 62.300 0.023 0.000 1.000 373 V CB 0.705 32.532 31.823 0.007 0.000 1.060 373 V HN 0.819 nan 8.190 nan 0.000 0.443 374 P HA 0.323 nan 4.420 nan 0.000 0.261 374 P C -0.883 176.445 177.300 0.047 0.000 1.183 374 P CA 0.441 63.560 63.100 0.031 0.000 0.761 374 P CB 0.160 31.874 31.700 0.024 0.000 0.785 375 L N 5.579 126.823 121.223 0.035 0.000 2.342 375 L HA 0.579 4.918 4.340 -0.000 0.000 0.271 375 L C -1.910 174.971 176.870 0.018 0.000 1.008 375 L CA -2.049 52.811 54.840 0.033 0.000 0.818 375 L CB 2.124 44.196 42.059 0.021 0.000 1.296 375 L HN 0.302 nan 8.230 nan 0.000 0.427 376 P HA 0.232 nan 4.420 nan 0.000 0.282 376 P C -0.917 176.386 177.300 0.005 0.000 1.259 376 P CA -0.777 62.330 63.100 0.011 0.000 0.826 376 P CB 1.241 32.948 31.700 0.013 0.000 1.064 377 M N 3.067 122.673 119.600 0.010 0.000 2.220 377 M HA 0.283 4.762 4.480 -0.000 0.000 0.343 377 M C -2.304 174.016 176.300 0.034 0.000 1.470 377 M CA -2.305 53.004 55.300 0.015 0.000 1.161 377 M CB -0.666 31.948 32.600 0.022 0.000 1.737 377 M HN 0.092 nan 8.290 nan 0.000 0.464 378 P HA -0.025 nan 4.420 nan 0.000 0.261 378 P C -1.175 176.222 177.300 0.162 0.000 1.183 378 P CA 0.182 63.330 63.100 0.079 0.000 0.761 378 P CB 0.210 31.934 31.700 0.040 0.000 0.785 379 K N 3.781 124.259 120.400 0.130 0.000 2.379 379 K HA 0.033 4.353 4.320 -0.000 0.000 0.284 379 K C 0.147 176.814 176.600 0.112 0.000 1.044 379 K CA -0.299 56.049 56.287 0.101 0.000 0.974 379 K CB 0.307 32.828 32.500 0.035 0.000 0.962 379 K HN 0.251 nan 8.250 nan 0.000 0.474 380 K N 6.578 126.999 120.400 0.036 0.000 2.292 380 K HA 0.104 4.424 4.320 -0.000 0.000 0.290 380 K C -0.432 175.976 176.600 -0.320 0.000 1.083 380 K CA -0.352 55.766 56.287 -0.282 0.000 0.918 380 K CB 0.244 32.598 32.500 -0.244 0.000 1.089 380 K HN 0.600 nan 8.250 nan 0.000 0.473 381 L N 7.373 128.373 121.223 -0.372 0.000 2.536 381 L HA 0.108 4.448 4.340 -0.000 0.000 0.282 381 L C 0.749 177.297 176.870 -0.536 0.000 1.174 381 L CA -0.139 54.465 54.840 -0.392 0.000 0.989 381 L CB -0.712 41.137 42.059 -0.351 0.000 1.311 381 L HN 0.542 nan 8.230 nan 0.000 0.455 382 R N 1.691 121.919 120.500 -0.453 0.000 2.500 382 R HA 0.632 4.972 4.340 -0.000 0.000 0.275 382 R C -1.182 174.822 176.300 -0.494 0.000 1.051 382 R CA -0.627 55.245 56.100 -0.381 0.000 1.088 382 R CB 0.944 31.135 30.300 -0.181 0.000 1.063 382 R HN 0.061 nan 8.270 nan 0.000 0.511 383 F N 0.382 120.343 119.950 0.017 0.000 2.507 383 F HA 0.327 4.854 4.527 -0.000 0.000 0.325 383 F C 0.060 175.884 175.800 0.039 0.000 1.116 383 F CA -1.128 56.897 58.000 0.042 0.000 0.930 383 F CB 1.864 40.919 39.000 0.092 0.000 1.146 383 F HN 0.424 nan 8.300 nan 0.000 0.447 384 N N 4.405 123.238 118.700 0.223 0.000 2.408 384 N HA 0.253 4.993 4.740 -0.000 0.000 0.257 384 N C -0.423 175.167 175.510 0.134 0.000 1.064 384 N CA -0.153 52.978 53.050 0.134 0.000 0.952 384 N CB 1.112 39.650 38.487 0.085 0.000 1.093 384 N HN 0.303 nan 8.380 nan 0.000 0.490 385 I N 1.590 122.227 120.570 0.111 0.000 2.612 385 I HA 0.282 4.452 4.170 -0.000 0.000 0.295 385 I C 1.209 177.363 176.117 0.063 0.000 1.011 385 I CA -0.232 61.121 61.300 0.089 0.000 1.326 385 I CB 0.945 38.994 38.000 0.083 0.000 1.427 385 I HN 0.436 nan 8.210 nan 0.000 0.537 386 T N 1.310 115.896 114.554 0.053 0.000 2.864 386 T HA 0.435 4.785 4.350 -0.000 0.000 0.299 386 T C -2.421 172.300 174.700 0.034 0.000 1.166 386 T CA -1.536 60.588 62.100 0.040 0.000 1.007 386 T CB 1.972 70.862 68.868 0.037 0.000 1.219 386 T HN 0.168 nan 8.240 nan 0.000 0.506 387 P HA -0.093 nan 4.420 nan 0.000 0.216 387 P C 1.439 178.752 177.300 0.023 0.000 1.153 387 P CA 1.142 64.256 63.100 0.023 0.000 0.858 387 P CB 0.191 31.902 31.700 0.018 0.000 0.789 388 E N -0.050 120.164 120.200 0.024 0.000 2.007 388 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 388 E C 1.910 178.529 176.600 0.032 0.000 0.999 388 E CA 1.337 57.752 56.400 0.025 0.000 0.811 388 E CB -1.131 28.583 29.700 0.023 0.000 0.762 388 E HN 0.088 nan 8.360 nan 0.000 0.450 389 I N 0.518 121.111 120.570 0.038 0.000 2.194 389 I HA -0.344 3.826 4.170 -0.000 0.000 0.246 389 I C 2.597 178.737 176.117 0.038 0.000 1.093 389 I CA 1.725 63.053 61.300 0.047 0.000 1.355 389 I CB -0.381 37.650 38.000 0.053 0.000 1.046 389 I HN 0.168 nan 8.210 nan 0.000 0.413 390 K N 1.190 121.609 120.400 0.033 0.000 2.057 390 K HA -0.251 4.068 4.320 -0.000 0.000 0.207 390 K C 1.899 178.510 176.600 0.017 0.000 1.049 390 K CA 2.082 58.385 56.287 0.026 0.000 0.931 390 K CB -0.166 32.350 32.500 0.027 0.000 0.714 390 K HN 0.178 nan 8.250 nan 0.000 0.440 391 N N 0.602 119.313 118.700 0.018 0.000 2.149 391 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 391 N C 1.090 176.608 175.510 0.013 0.000 1.019 391 N CA 1.804 54.862 53.050 0.013 0.000 0.857 391 N CB 0.038 38.533 38.487 0.014 0.000 0.997 391 N HN 0.247 nan 8.380 nan 0.000 0.426 392 D N -0.179 120.236 120.400 0.025 0.000 2.219 392 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 392 D C 1.821 178.126 176.300 0.009 0.000 0.970 392 D CA 0.707 54.727 54.000 0.034 0.000 0.851 392 D CB 0.019 40.864 40.800 0.074 0.000 0.943 392 D HN 0.468 nan 8.370 nan 0.000 0.488 393 I N 1.201 121.768 120.570 -0.004 0.000 2.233 393 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 393 I C 2.380 178.473 176.117 -0.039 0.000 1.093 393 I CA 0.776 62.056 61.300 -0.035 0.000 1.380 393 I CB -0.078 37.904 38.000 -0.029 0.000 1.067 393 I HN -0.182 nan 8.210 nan 0.000 0.413 394 E N 1.178 121.365 120.200 -0.021 0.000 2.085 394 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 394 E C 2.105 178.689 176.600 -0.027 0.000 0.994 394 E CA 1.098 57.484 56.400 -0.022 0.000 0.801 394 E CB -0.231 29.463 29.700 -0.010 0.000 0.743 394 E HN 0.362 nan 8.360 nan 0.000 0.453 395 K N 0.361 120.749 120.400 -0.020 0.000 2.148 395 K HA 0.022 4.341 4.320 -0.000 0.000 0.204 395 K C 1.979 178.559 176.600 -0.033 0.000 1.050 395 K CA 0.869 57.143 56.287 -0.020 0.000 0.942 395 K CB -0.183 32.313 32.500 -0.007 0.000 0.724 395 K HN 0.065 nan 8.250 nan 0.000 0.446 396 A N 1.528 124.321 122.820 -0.045 0.000 2.014 396 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 396 A C 2.025 179.555 177.584 -0.090 0.000 1.163 396 A CA 1.227 53.217 52.037 -0.077 0.000 0.652 396 A CB -0.123 18.810 19.000 -0.110 0.000 0.808 396 A HN 0.223 nan 8.150 nan 0.000 0.449 397 K N -0.315 120.039 120.400 -0.077 0.000 1.980 397 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 397 K C 2.270 178.829 176.600 -0.067 0.000 1.043 397 K CA 1.499 57.739 56.287 -0.078 0.000 0.938 397 K CB -0.325 32.134 32.500 -0.068 0.000 0.724 397 K HN 0.563 nan 8.250 nan 0.000 0.438 398 Q N 0.869 120.638 119.800 -0.053 0.000 2.133 398 Q HA -0.274 4.066 4.340 -0.000 0.000 0.208 398 Q C 1.982 177.954 176.000 -0.047 0.000 0.991 398 Q CA 1.988 57.764 55.803 -0.045 0.000 0.867 398 Q CB -0.418 28.299 28.738 -0.035 0.000 0.911 398 Q HN 0.316 nan 8.270 nan 0.000 0.417 399 N N 0.665 119.335 118.700 -0.049 0.000 2.039 399 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 399 N C 1.610 177.085 175.510 -0.058 0.000 1.044 399 N CA 0.906 53.929 53.050 -0.046 0.000 0.847 399 N CB -0.255 38.207 38.487 -0.042 0.000 1.030 399 N HN 0.151 nan 8.380 nan 0.000 0.422 400 L N 0.409 121.581 121.223 -0.085 0.000 2.129 400 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 400 L C 2.356 179.166 176.870 -0.100 0.000 1.087 400 L CA 1.494 56.267 54.840 -0.110 0.000 0.757 400 L CB -1.194 40.791 42.059 -0.123 0.000 0.896 400 L HN 0.262 nan 8.230 nan 0.000 0.434 401 S N -0.729 114.925 115.700 -0.076 0.000 2.348 401 S HA -0.182 4.287 4.470 -0.000 0.000 0.221 401 S C 1.972 176.538 174.600 -0.057 0.000 1.033 401 S CA 1.712 59.873 58.200 -0.065 0.000 1.010 401 S CB -0.347 62.821 63.200 -0.053 0.000 0.891 401 S HN 0.437 nan 8.310 nan 0.000 0.442 402 I N 1.245 121.789 120.570 -0.043 0.000 2.335 402 I HA -0.198 3.971 4.170 -0.000 0.000 0.251 402 I C 2.370 178.475 176.117 -0.020 0.000 1.129 402 I CA 1.310 62.594 61.300 -0.027 0.000 1.402 402 I CB -0.266 37.721 38.000 -0.022 0.000 1.069 402 I HN 0.367 nan 8.210 nan 0.000 0.424 403 M N -0.739 118.838 119.600 -0.038 0.000 2.193 403 M HA -0.081 4.398 4.480 -0.000 0.000 0.265 403 M C 2.197 178.429 176.300 -0.113 0.000 1.071 403 M CA 1.628 56.908 55.300 -0.035 0.000 1.140 403 M CB -0.222 32.321 32.600 -0.095 0.000 1.369 403 M HN 0.110 nan 8.290 nan 0.000 0.423 404 I N -0.196 120.256 120.570 -0.197 0.000 2.546 404 I HA -0.230 3.940 4.170 -0.000 0.000 0.255 404 I C 2.188 178.220 176.117 -0.142 0.000 1.163 404 I CA 1.027 62.141 61.300 -0.311 0.000 1.457 404 I CB -0.478 37.328 38.000 -0.323 0.000 1.092 404 I HN 0.394 nan 8.210 nan 0.000 0.434 405 Q N 0.145 119.905 119.800 -0.067 0.000 2.311 405 Q HA -0.175 4.164 4.340 -0.000 0.000 0.203 405 Q C 1.088 177.097 176.000 0.014 0.000 0.954 405 Q CA 1.115 56.906 55.803 -0.019 0.000 0.885 405 Q CB -0.088 28.645 28.738 -0.010 0.000 0.963 405 Q HN 0.420 nan 8.270 nan 0.000 0.471 406 D N -0.174 120.247 120.400 0.034 0.000 2.340 406 D HA 0.015 4.655 4.640 -0.000 0.000 0.220 406 D C -0.369 176.047 176.300 0.194 0.000 1.039 406 D CA -0.054 54.009 54.000 0.105 0.000 0.866 406 D CB 0.359 41.219 40.800 0.100 0.000 0.913 406 D HN -0.056 nan 8.370 nan 0.000 0.523 407 L N 0.601 121.889 121.223 0.108 0.000 2.357 407 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 407 L C -1.086 175.809 176.870 0.041 0.000 1.080 407 L CA -0.208 54.686 54.840 0.090 0.000 0.803 407 L CB 1.744 43.813 42.059 0.018 0.000 1.174 407 L HN -0.148 nan 8.230 nan 0.000 0.443 408 D N 3.610 124.020 120.400 0.017 0.000 2.336 408 D HA 0.385 5.024 4.640 -0.000 0.000 0.248 408 D C -1.308 174.985 176.300 -0.013 0.000 1.326 408 D CA -0.117 53.889 54.000 0.010 0.000 0.973 408 D CB 0.359 41.182 40.800 0.038 0.000 1.255 408 D HN 0.340 nan 8.370 nan 0.000 0.558 409 I N 2.537 123.086 120.570 -0.035 0.000 2.437 409 I HA 0.553 4.722 4.170 -0.000 0.000 0.298 409 I C -0.195 175.877 176.117 -0.076 0.000 0.984 409 I CA -0.852 60.404 61.300 -0.072 0.000 1.214 409 I CB 1.741 39.663 38.000 -0.130 0.000 1.365 409 I HN 0.358 nan 8.210 nan 0.000 0.469 410 M N 7.644 127.193 119.600 -0.085 0.000 2.098 410 M HA 0.468 4.948 4.480 -0.000 0.000 0.265 410 M C -1.445 174.815 176.300 -0.067 0.000 0.940 410 M CA -0.607 54.649 55.300 -0.073 0.000 1.007 410 M CB 1.034 33.581 32.600 -0.087 0.000 1.823 410 M HN 0.319 nan 8.290 nan 0.000 0.453 411 M N 3.788 123.351 119.600 -0.061 0.000 2.255 411 M HA 0.598 5.078 4.480 -0.000 0.000 0.336 411 M C -0.908 175.423 176.300 0.053 0.000 1.135 411 M CA -0.553 54.732 55.300 -0.024 0.000 1.145 411 M CB 0.956 33.518 32.600 -0.064 0.000 1.473 411 M HN 0.799 nan 8.290 nan 0.000 0.462 412 L N 0.824 122.127 121.223 0.132 0.000 2.466 412 L HA 0.534 4.873 4.340 -0.000 0.000 0.258 412 L C -0.855 176.185 176.870 0.284 0.000 0.973 412 L CA 0.162 55.123 54.840 0.201 0.000 0.826 412 L CB 2.521 44.707 42.059 0.212 0.000 1.372 412 L HN 0.728 nan 8.230 nan 0.000 0.409 413 T N 4.556 119.273 114.554 0.271 0.000 3.250 413 T HA 0.306 4.656 4.350 -0.000 0.000 0.391 413 T C -0.638 174.283 174.700 0.368 0.000 1.502 413 T CA -0.004 62.272 62.100 0.294 0.000 1.320 413 T CB -0.482 68.483 68.868 0.163 0.000 1.102 413 T HN 0.350 nan 8.240 nan 0.000 0.610 414 F N 6.023 126.159 119.950 0.310 0.000 2.504 414 F HA 0.057 4.584 4.527 -0.001 0.000 0.365 414 F C 1.802 177.720 175.800 0.197 0.000 1.140 414 F CA -0.366 57.801 58.000 0.278 0.000 1.077 414 F CB 0.301 39.482 39.000 0.303 0.000 1.106 414 F HN 0.594 nan 8.300 nan 0.000 0.578 415 H N 3.968 122.883 119.070 -0.259 0.000 2.563 415 H HA 0.009 4.564 4.556 -0.001 0.000 0.264 415 H C 1.467 176.583 175.328 -0.353 0.000 0.957 415 H CA 0.764 56.665 56.048 -0.244 0.000 1.173 415 H CB -0.572 29.021 29.762 -0.281 0.000 1.420 415 H HN 0.676 nan 8.280 nan 0.000 0.551 416 H N 1.335 119.744 119.070 -1.102 0.000 2.353 416 H HA -0.041 4.515 4.556 -0.001 0.000 0.298 416 H C 0.300 175.493 175.328 -0.225 0.000 1.103 416 H CA 1.880 57.401 56.048 -0.878 0.000 1.293 416 H CB -0.055 29.009 29.762 -1.163 0.000 1.372 416 H HN 0.483 nan 8.280 nan 0.000 0.501 417 F N -3.007 116.917 119.950 -0.042 0.000 2.878 417 F HA 0.548 5.075 4.527 -0.001 0.000 0.322 417 F C -0.267 175.702 175.800 0.281 0.000 1.154 417 F CA -0.630 57.450 58.000 0.133 0.000 0.896 417 F CB 0.698 39.769 39.000 0.119 0.000 1.313 417 F HN -0.001 nan 8.300 nan 0.000 0.451 418 G N 0.582 109.658 108.800 0.460 0.000 3.247 418 G HA2 0.376 4.336 3.960 -0.000 0.000 0.226 418 G HA3 0.376 4.336 3.960 -0.000 0.000 0.226 418 G C -0.337 174.771 174.900 0.346 0.000 1.220 418 G CA -0.730 44.548 45.100 0.298 0.000 0.875 418 G HN 0.752 nan 8.290 nan 0.000 0.606 419 K N 0.603 121.116 120.400 0.188 0.000 2.218 419 K HA -0.167 4.152 4.320 -0.000 0.000 0.205 419 K C 2.092 178.756 176.600 0.106 0.000 1.046 419 K CA 1.691 58.059 56.287 0.135 0.000 0.933 419 K CB -0.126 32.423 32.500 0.082 0.000 0.728 419 K HN 0.624 nan 8.250 nan 0.000 0.454 420 D N 1.364 121.849 120.400 0.142 0.000 2.154 420 D HA -0.269 4.371 4.640 -0.000 0.000 0.190 420 D C 1.859 178.186 176.300 0.044 0.000 1.003 420 D CA 1.506 55.568 54.000 0.103 0.000 0.849 420 D CB -0.649 40.239 40.800 0.147 0.000 0.942 420 D HN 0.264 nan 8.370 nan 0.000 0.446 421 F N 2.192 122.084 119.950 -0.097 0.000 2.113 421 F HA 0.066 4.594 4.527 0.000 0.000 0.297 421 F C -0.857 174.701 175.800 -0.404 0.000 1.103 421 F CA 0.539 58.328 58.000 -0.352 0.000 1.248 421 F CB -1.199 37.284 39.000 -0.862 0.000 0.999 421 F HN 0.022 nan 8.300 nan 0.000 0.475 422 P HA -0.181 nan 4.420 nan 0.000 0.216 422 P C 1.236 178.306 177.300 -0.383 0.000 1.150 422 P CA 2.171 64.894 63.100 -0.628 0.000 0.837 422 P CB -0.098 31.385 31.700 -0.361 0.000 0.786 423 K N -0.317 119.941 120.400 -0.237 0.000 2.097 423 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 423 K C 1.983 178.471 176.600 -0.187 0.000 1.050 423 K CA 1.748 57.944 56.287 -0.152 0.000 0.938 423 K CB -0.521 31.935 32.500 -0.073 0.000 0.718 423 K HN 0.202 nan 8.250 nan 0.000 0.442 424 S N 0.783 116.328 115.700 -0.259 0.000 2.660 424 S HA 0.005 4.475 4.470 -0.000 0.000 0.228 424 S C 1.049 175.474 174.600 -0.293 0.000 0.966 424 S CA 0.547 58.607 58.200 -0.234 0.000 0.940 424 S CB 0.052 63.128 63.200 -0.207 0.000 0.773 424 S HN 0.163 nan 8.310 nan 0.000 0.535 425 E N 0.721 120.709 120.200 -0.354 0.000 2.562 425 E HA 0.144 4.494 4.350 -0.000 0.000 0.214 425 E C -0.363 176.140 176.600 -0.163 0.000 0.979 425 E CA -0.135 56.085 56.400 -0.300 0.000 1.002 425 E CB 0.321 29.755 29.700 -0.444 0.000 1.048 425 E HN 0.297 nan 8.360 nan 0.000 0.488 426 K N 0.181 120.502 120.400 -0.132 0.000 3.125 426 K HA -0.174 4.146 4.320 -0.000 0.000 0.268 426 K C -0.389 176.179 176.600 -0.053 0.000 1.078 426 K CA 0.584 56.827 56.287 -0.073 0.000 0.775 426 K CB -2.288 30.181 32.500 -0.051 0.000 1.253 426 K HN 0.210 nan 8.250 nan 0.000 0.486 427 L N -0.244 120.940 121.223 -0.064 0.000 2.431 427 L HA 0.306 4.646 4.340 -0.000 0.000 0.266 427 L C 0.555 177.429 176.870 0.006 0.000 0.978 427 L CA -0.888 53.943 54.840 -0.015 0.000 0.822 427 L CB 2.065 44.130 42.059 0.010 0.000 1.310 427 L HN 0.113 nan 8.230 nan 0.000 0.409 428 S N 2.717 118.443 115.700 0.043 0.000 2.544 428 S HA 0.126 4.596 4.470 -0.000 0.000 0.290 428 S C -1.650 173.009 174.600 0.098 0.000 1.276 428 S CA -0.689 57.550 58.200 0.063 0.000 1.075 428 S CB 0.847 64.096 63.200 0.082 0.000 0.849 428 S HN 0.391 nan 8.310 nan 0.000 0.494 429 P HA -0.105 nan 4.420 nan 0.000 0.214 429 P C 1.012 178.433 177.300 0.202 0.000 1.163 429 P CA 1.282 64.469 63.100 0.146 0.000 0.883 429 P CB 0.029 31.797 31.700 0.113 0.000 0.788 430 D N -1.168 119.327 120.400 0.157 0.000 2.182 430 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 430 D C 1.823 178.117 176.300 -0.011 0.000 0.986 430 D CA 1.355 55.449 54.000 0.157 0.000 0.847 430 D CB -0.497 40.399 40.800 0.161 0.000 0.942 430 D HN -0.010 nan 8.370 nan 0.000 0.467 431 A N -0.343 122.442 122.820 -0.058 0.000 1.855 431 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 431 A C 2.129 179.644 177.584 -0.115 0.000 1.191 431 A CA 1.177 53.064 52.037 -0.250 0.000 0.613 431 A CB -1.244 17.728 19.000 -0.046 0.000 0.829 431 A HN 0.407 nan 8.150 nan 0.000 0.442 432 F N 0.937 120.843 119.950 -0.073 0.000 2.065 432 F HA -0.237 4.289 4.527 -0.000 0.000 0.298 432 F C 2.041 177.848 175.800 0.012 0.000 1.112 432 F CA 2.087 60.085 58.000 -0.004 0.000 1.212 432 F CB -0.235 38.814 39.000 0.082 0.000 0.975 432 F HN 0.210 nan 8.300 nan 0.000 0.476 433 I N -0.229 120.487 120.570 0.243 0.000 2.113 433 I HA -0.317 3.853 4.170 -0.000 0.000 0.238 433 I C 2.530 178.603 176.117 -0.074 0.000 1.070 433 I CA 1.172 62.526 61.300 0.091 0.000 1.332 433 I CB -0.869 37.181 38.000 0.084 0.000 1.044 433 I HN 0.200 nan 8.210 nan 0.000 0.402 434 Q N 0.635 120.379 119.800 -0.093 0.000 2.045 434 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 434 Q C 2.506 178.465 176.000 -0.068 0.000 0.991 434 Q CA 1.625 57.374 55.803 -0.090 0.000 0.851 434 Q CB -0.782 27.820 28.738 -0.227 0.000 0.911 434 Q HN 0.410 nan 8.270 nan 0.000 0.418 435 V N 1.166 121.007 119.914 -0.123 0.000 2.392 435 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 435 V C 2.384 178.490 176.094 0.020 0.000 1.059 435 V CA 1.787 64.065 62.300 -0.036 0.000 1.051 435 V CB -1.061 30.671 31.823 -0.151 0.000 0.658 435 V HN 0.372 nan 8.190 nan 0.000 0.455 436 A N -0.270 122.492 122.820 -0.097 0.000 1.933 436 A HA -0.179 4.140 4.320 -0.000 0.000 0.218 436 A C 2.131 179.694 177.584 -0.035 0.000 1.175 436 A CA 1.915 53.898 52.037 -0.090 0.000 0.628 436 A CB -0.529 18.353 19.000 -0.197 0.000 0.814 436 A HN 0.465 nan 8.150 nan 0.000 0.444 437 L N -0.595 120.600 121.223 -0.046 0.000 2.191 437 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 437 L C 2.271 179.201 176.870 0.100 0.000 1.103 437 L CA 1.880 56.712 54.840 -0.013 0.000 0.769 437 L CB -0.571 41.474 42.059 -0.023 0.000 0.908 437 L HN 0.359 nan 8.230 nan 0.000 0.438 438 Q N -0.786 119.084 119.800 0.116 0.000 2.020 438 Q HA -0.132 4.208 4.340 -0.000 0.000 0.198 438 Q C 2.246 178.373 176.000 0.212 0.000 0.974 438 Q CA 1.594 57.507 55.803 0.183 0.000 0.829 438 Q CB -0.777 28.061 28.738 0.166 0.000 0.894 438 Q HN 0.494 nan 8.270 nan 0.000 0.433 439 L N 1.011 122.323 121.223 0.149 0.000 2.129 439 L HA -0.130 4.209 4.340 -0.000 0.000 0.212 439 L C 2.055 179.007 176.870 0.137 0.000 1.087 439 L CA 2.175 57.069 54.840 0.090 0.000 0.757 439 L CB -0.765 41.309 42.059 0.025 0.000 0.896 439 L HN 0.135 nan 8.230 nan 0.000 0.434 440 A N -1.624 121.276 122.820 0.133 0.000 1.897 440 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 440 A C 2.264 179.939 177.584 0.150 0.000 1.181 440 A CA 1.458 53.579 52.037 0.141 0.000 0.620 440 A CB -1.101 17.949 19.000 0.083 0.000 0.821 440 A HN 0.593 nan 8.150 nan 0.000 0.443 441 Y N -1.489 118.883 120.300 0.122 0.000 2.224 441 Y HA -0.238 4.313 4.550 0.001 0.000 0.289 441 Y C 2.199 178.224 175.900 0.208 0.000 1.146 441 Y CA 1.970 60.183 58.100 0.188 0.000 1.182 441 Y CB -0.456 38.120 38.460 0.194 0.000 0.983 441 Y HN 0.436 nan 8.280 nan 0.000 0.524 442 Y N 0.677 121.061 120.300 0.140 0.000 2.242 442 Y HA -0.180 4.370 4.550 0.000 0.000 0.291 442 Y C 2.402 178.289 175.900 -0.021 0.000 1.137 442 Y CA 1.691 59.833 58.100 0.070 0.000 1.181 442 Y CB -0.243 38.255 38.460 0.063 0.000 0.989 442 Y HN -0.001 nan 8.280 nan 0.000 0.527 443 R N -0.396 120.136 120.500 0.052 0.000 2.115 443 R HA -0.104 4.235 4.340 -0.000 0.000 0.230 443 R C 2.090 178.288 176.300 -0.169 0.000 1.111 443 R CA 1.707 57.815 56.100 0.013 0.000 0.976 443 R CB -0.248 30.165 30.300 0.189 0.000 0.870 443 R HN 0.398 nan 8.270 nan 0.000 0.445 444 I N -1.091 119.250 120.570 -0.382 0.000 2.206 444 I HA -0.211 3.959 4.170 -0.000 0.000 0.239 444 I C 1.511 177.140 176.117 -0.813 0.000 1.078 444 I CA 1.417 62.265 61.300 -0.754 0.000 1.367 444 I CB -0.247 37.185 38.000 -0.946 0.000 1.078 444 I HN 0.097 nan 8.210 nan 0.000 0.413 445 Y N 0.545 120.543 120.300 -0.504 0.000 2.476 445 Y HA 0.257 4.808 4.550 0.002 0.000 0.283 445 Y C 1.809 177.498 175.900 -0.351 0.000 1.109 445 Y CA 0.572 58.427 58.100 -0.408 0.000 1.246 445 Y CB 0.065 38.222 38.460 -0.504 0.000 1.068 445 Y HN 0.323 nan 8.280 nan 0.000 0.552 446 G N 0.715 109.278 108.800 -0.395 0.000 2.132 446 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.228 446 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.228 446 G C -0.222 174.330 174.900 -0.580 0.000 1.000 446 G CA 0.240 44.982 45.100 -0.598 0.000 0.693 446 G HN 0.481 nan 8.290 nan 0.000 0.515 447 Q N -2.092 117.519 119.800 -0.315 0.000 2.776 447 Q HA 0.724 5.063 4.340 -0.000 0.000 0.289 447 Q C -0.340 175.918 176.000 0.430 0.000 0.912 447 Q CA -0.582 55.309 55.803 0.146 0.000 0.789 447 Q CB 0.496 29.314 28.738 0.134 0.000 1.498 447 Q HN 1.513 nan 8.270 nan 0.000 0.408 448 A N 0.442 123.517 122.820 0.424 0.000 2.287 448 A HA 0.793 5.112 4.320 -0.000 0.000 0.273 448 A C 0.195 177.916 177.584 0.228 0.000 1.091 448 A CA 0.221 52.464 52.037 0.344 0.000 0.817 448 A CB 0.398 19.529 19.000 0.219 0.000 1.069 448 A HN 1.209 nan 8.150 nan 0.000 0.492 449 C N -1.286 118.044 119.300 0.051 0.000 2.994 449 C HA 0.830 5.290 4.460 -0.000 0.000 0.305 449 C C 0.345 175.312 174.990 -0.038 0.000 1.251 449 C CA -0.471 58.512 59.018 -0.057 0.000 1.478 449 C CB 0.680 28.245 27.740 -0.293 0.000 1.922 449 C HN 1.794 nan 8.230 nan 0.000 0.472 450 A N 2.454 125.280 122.820 0.010 0.000 2.537 450 A HA 0.501 4.821 4.320 -0.000 0.000 0.260 450 A C 0.479 178.244 177.584 0.301 0.000 1.082 450 A CA 0.705 52.805 52.037 0.106 0.000 0.765 450 A CB -0.586 18.368 19.000 -0.077 0.000 1.019 450 A HN 1.046 nan 8.150 nan 0.000 0.507 451 T N 3.134 117.875 114.554 0.312 0.000 2.786 451 T HA 0.392 4.742 4.350 -0.000 0.000 0.283 451 T C -0.771 174.007 174.700 0.131 0.000 0.992 451 T CA -0.031 62.215 62.100 0.244 0.000 0.954 451 T CB 0.635 69.554 68.868 0.084 0.000 0.934 451 T HN 0.489 nan 8.240 nan 0.000 0.440 452 Y N 2.828 122.928 120.300 -0.332 0.000 2.385 452 Y HA 0.443 4.992 4.550 -0.001 0.000 0.341 452 Y C 0.186 175.883 175.900 -0.338 0.000 0.965 452 Y CA -0.546 57.090 58.100 -0.774 0.000 1.180 452 Y CB 0.584 37.977 38.460 -1.780 0.000 1.139 452 Y HN 0.593 nan 8.280 nan 0.000 0.502 453 E N 4.678 124.571 120.200 -0.511 0.000 2.155 453 E HA 0.270 4.619 4.350 -0.000 0.000 0.264 453 E C -0.812 175.534 176.600 -0.424 0.000 0.886 453 E CA -0.653 55.592 56.400 -0.258 0.000 0.752 453 E CB 1.161 30.826 29.700 -0.059 0.000 1.133 453 E HN 0.751 nan 8.360 nan 0.000 0.414 454 S N 1.918 117.497 115.700 -0.202 0.000 2.593 454 S HA 0.144 4.613 4.470 -0.000 0.000 0.300 454 S C -0.228 174.313 174.600 -0.099 0.000 1.267 454 S CA 0.180 58.309 58.200 -0.118 0.000 1.065 454 S CB 0.674 63.921 63.200 0.078 0.000 0.807 454 S HN 0.537 nan 8.310 nan 0.000 0.499 455 A N 3.238 125.996 122.820 -0.103 0.000 2.411 455 A HA 0.580 4.900 4.320 -0.000 0.000 0.285 455 A C 0.101 177.680 177.584 -0.009 0.000 1.129 455 A CA -0.588 51.425 52.037 -0.041 0.000 0.736 455 A CB 1.077 20.048 19.000 -0.049 0.000 1.186 455 A HN 0.603 nan 8.150 nan 0.000 0.445 456 S N 1.401 117.117 115.700 0.027 0.000 2.546 456 S HA 0.188 4.658 4.470 -0.000 0.000 0.290 456 S C 0.828 175.468 174.600 0.066 0.000 1.290 456 S CA 0.014 58.240 58.200 0.044 0.000 1.069 456 S CB -0.001 63.229 63.200 0.051 0.000 0.846 456 S HN 0.627 nan 8.310 nan 0.000 0.495 457 L N 5.015 126.280 121.223 0.069 0.000 2.818 457 L HA 0.260 4.600 4.340 -0.000 0.000 0.243 457 L C 1.852 178.850 176.870 0.214 0.000 1.185 457 L CA -0.008 54.924 54.840 0.152 0.000 0.988 457 L CB -0.030 42.048 42.059 0.033 0.000 1.292 457 L HN 0.634 nan 8.230 nan 0.000 0.519 458 R N 0.535 121.102 120.500 0.113 0.000 2.303 458 R HA -0.150 4.190 4.340 -0.000 0.000 0.225 458 R C 1.964 178.280 176.300 0.027 0.000 1.114 458 R CA 1.171 57.316 56.100 0.075 0.000 1.007 458 R CB -0.238 30.094 30.300 0.053 0.000 0.861 458 R HN 0.495 nan 8.270 nan 0.000 0.471 459 M N -1.481 118.095 119.600 -0.039 0.000 2.682 459 M HA 0.160 4.640 4.480 -0.000 0.000 0.235 459 M C -0.649 175.344 176.300 -0.512 0.000 1.114 459 M CA 1.006 56.148 55.300 -0.264 0.000 1.053 459 M CB 0.286 32.676 32.600 -0.349 0.000 1.599 459 M HN -0.242 nan 8.290 nan 0.000 0.520 460 F N -0.063 119.890 119.950 0.006 0.000 2.546 460 F HA 0.374 4.901 4.527 -0.001 0.000 0.320 460 F C 0.515 176.321 175.800 0.010 0.000 1.076 460 F CA -1.333 56.673 58.000 0.009 0.000 0.928 460 F CB 0.690 39.681 39.000 -0.016 0.000 1.189 460 F HN 0.029 nan 8.300 nan 0.000 0.465 461 H N 4.084 123.230 119.070 0.127 0.000 3.157 461 H HA 0.049 4.605 4.556 -0.000 0.000 0.299 461 H C 0.801 176.161 175.328 0.054 0.000 0.961 461 H CA 0.788 56.867 56.048 0.052 0.000 1.428 461 H CB 0.379 30.160 29.762 0.032 0.000 1.459 461 H HN 0.925 nan 8.280 nan 0.000 0.566 462 L N 3.090 124.115 121.223 -0.331 0.000 4.937 462 L HA -0.224 4.115 4.340 -0.000 0.000 0.422 462 L C 1.058 177.843 176.870 -0.141 0.000 1.059 462 L CA 0.659 55.305 54.840 -0.324 0.000 1.111 462 L CB -1.240 40.455 42.059 -0.607 0.000 2.033 462 L HN 0.897 nan 8.230 nan 0.000 0.708 463 G N 0.042 108.816 108.800 -0.044 0.000 2.265 463 G HA2 0.171 4.131 3.960 -0.000 0.000 0.240 463 G HA3 0.171 4.131 3.960 -0.000 0.000 0.240 463 G C 0.773 175.672 174.900 -0.003 0.000 1.270 463 G CA -0.136 44.965 45.100 0.001 0.000 0.901 463 G HN 0.126 nan 8.290 nan 0.000 0.507 464 R N 0.710 121.191 120.500 -0.032 0.000 1.835 464 R HA 0.343 4.683 4.340 -0.000 0.000 0.162 464 R C 0.932 177.242 176.300 0.017 0.000 1.911 464 R CA 1.184 57.307 56.100 0.038 0.000 1.491 464 R CB -0.632 29.749 30.300 0.137 0.000 1.166 464 R HN 0.715 nan 8.270 nan 0.000 0.478 465 T N -0.764 113.739 114.554 -0.085 0.000 3.041 465 T HA 0.469 4.819 4.350 -0.000 0.000 0.321 465 T C -1.067 173.448 174.700 -0.308 0.000 1.184 465 T CA -0.942 61.092 62.100 -0.109 0.000 1.050 465 T CB 2.700 71.593 68.868 0.042 0.000 1.159 465 T HN -0.047 nan 8.240 nan 0.000 0.469 466 D N 0.656 120.917 120.400 -0.230 0.000 2.392 466 D HA 0.656 5.296 4.640 -0.000 0.000 0.246 466 D C -0.336 175.794 176.300 -0.282 0.000 1.013 466 D CA -0.232 53.608 54.000 -0.267 0.000 0.993 466 D CB 2.338 43.047 40.800 -0.153 0.000 1.219 466 D HN 0.626 nan 8.370 nan 0.000 0.538 467 T N 0.816 115.184 114.554 -0.309 0.000 2.902 467 T HA 0.581 4.930 4.350 -0.000 0.000 0.283 467 T C -0.022 174.510 174.700 -0.280 0.000 1.009 467 T CA -0.451 61.371 62.100 -0.465 0.000 1.051 467 T CB 0.685 69.269 68.868 -0.473 0.000 0.999 467 T HN 0.172 nan 8.240 nan 0.000 0.474 468 I N 2.403 122.707 120.570 -0.443 0.000 2.436 468 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 468 I C 0.092 175.828 176.117 -0.636 0.000 1.010 468 I CA -0.799 60.202 61.300 -0.499 0.000 1.098 468 I CB 1.827 39.576 38.000 -0.418 0.000 1.266 468 I HN 0.335 nan 8.210 nan 0.000 0.434 469 R N 4.034 124.004 120.500 -0.883 0.000 2.247 469 R HA 0.275 4.615 4.340 -0.000 0.000 0.329 469 R C 0.663 176.682 176.300 -0.468 0.000 1.014 469 R CA -0.276 55.582 56.100 -0.403 0.000 0.907 469 R CB 1.083 31.381 30.300 -0.003 0.000 1.146 469 R HN 0.618 nan 8.270 nan 0.000 0.499 470 S N 1.191 116.752 115.700 -0.232 0.000 2.547 470 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 470 S C 0.931 175.564 174.600 0.055 0.000 0.980 470 S CA 0.349 58.535 58.200 -0.023 0.000 0.941 470 S CB 0.258 63.554 63.200 0.160 0.000 0.763 470 S HN 0.627 nan 8.310 nan 0.000 0.532 471 A N 2.275 125.117 122.820 0.037 0.000 2.341 471 A HA 0.650 4.970 4.320 -0.000 0.000 0.326 471 A C 0.457 178.094 177.584 0.088 0.000 1.402 471 A CA -0.674 51.412 52.037 0.081 0.000 0.957 471 A CB 0.388 19.444 19.000 0.093 0.000 1.151 471 A HN 0.324 nan 8.150 nan 0.000 0.533 472 S N 1.718 117.472 115.700 0.089 0.000 2.810 472 S HA 0.631 5.100 4.470 -0.000 0.000 0.315 472 S C 0.863 175.503 174.600 0.067 0.000 1.138 472 S CA -0.644 57.614 58.200 0.096 0.000 0.889 472 S CB 0.434 63.700 63.200 0.111 0.000 1.236 472 S HN 0.387 nan 8.310 nan 0.000 0.548 473 I N 0.938 121.536 120.570 0.047 0.000 2.394 473 I HA -0.122 4.048 4.170 -0.000 0.000 0.251 473 I C 1.565 177.697 176.117 0.025 0.000 1.136 473 I CA 1.218 62.527 61.300 0.014 0.000 1.425 473 I CB -0.372 37.622 38.000 -0.009 0.000 1.079 473 I HN 0.628 nan 8.210 nan 0.000 0.425 474 D N -0.018 120.408 120.400 0.045 0.000 2.194 474 D HA -0.124 4.516 4.640 -0.000 0.000 0.204 474 D C 2.263 178.620 176.300 0.095 0.000 0.964 474 D CA 1.040 55.074 54.000 0.056 0.000 0.846 474 D CB 0.005 40.833 40.800 0.048 0.000 0.962 474 D HN 0.146 nan 8.370 nan 0.000 0.490 475 S N 0.501 116.261 115.700 0.101 0.000 2.359 475 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 475 S C 1.901 176.569 174.600 0.114 0.000 1.035 475 S CA 0.704 58.989 58.200 0.141 0.000 1.018 475 S CB -0.185 63.090 63.200 0.125 0.000 0.876 475 S HN 0.076 nan 8.310 nan 0.000 0.448 476 L N 1.715 122.962 121.223 0.040 0.000 2.027 476 L HA 0.180 4.520 4.340 -0.000 0.000 0.206 476 L C 2.617 179.427 176.870 -0.100 0.000 1.074 476 L CA 1.974 56.780 54.840 -0.057 0.000 0.745 476 L CB -1.329 40.709 42.059 -0.036 0.000 0.898 476 L HN 0.335 nan 8.230 nan 0.000 0.433 477 A N -0.997 121.809 122.820 -0.023 0.000 1.948 477 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 477 A C 2.235 179.824 177.584 0.009 0.000 1.177 477 A CA 2.232 54.261 52.037 -0.014 0.000 0.636 477 A CB -1.097 17.916 19.000 0.022 0.000 0.815 477 A HN 0.538 nan 8.150 nan 0.000 0.449 478 F N 1.043 120.940 119.950 -0.087 0.000 2.074 478 F HA -0.090 4.437 4.527 0.000 0.000 0.290 478 F C 2.313 178.045 175.800 -0.115 0.000 1.118 478 F CA 1.999 59.952 58.000 -0.079 0.000 1.199 478 F CB -0.780 38.188 39.000 -0.054 0.000 1.012 478 F HN 0.133 nan 8.300 nan 0.000 0.472 479 V N -0.800 118.801 119.914 -0.521 0.000 2.828 479 V HA -0.208 3.912 4.120 -0.000 0.000 0.260 479 V C 1.927 177.658 176.094 -0.606 0.000 1.101 479 V CA 2.031 63.937 62.300 -0.657 0.000 1.123 479 V CB -1.108 30.479 31.823 -0.393 0.000 0.704 479 V HN 0.433 nan 8.190 nan 0.000 0.493 480 K N 0.919 121.006 120.400 -0.523 0.000 2.166 480 K HA 0.209 4.529 4.320 -0.000 0.000 0.201 480 K C 2.302 178.774 176.600 -0.214 0.000 1.052 480 K CA 0.960 57.013 56.287 -0.390 0.000 0.969 480 K CB -0.395 31.925 32.500 -0.300 0.000 0.761 480 K HN 0.560 nan 8.250 nan 0.000 0.459 481 G N 1.446 110.124 108.800 -0.202 0.000 2.403 481 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.216 481 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.216 481 G C 1.464 176.280 174.900 -0.141 0.000 1.154 481 G CA 0.536 45.564 45.100 -0.121 0.000 0.784 481 G HN 0.096 nan 8.290 nan 0.000 0.538 482 M N 1.719 121.156 119.600 -0.271 0.000 2.082 482 M HA 0.035 4.515 4.480 -0.000 0.000 0.258 482 M C 2.264 178.491 176.300 -0.122 0.000 1.071 482 M CA 2.040 57.195 55.300 -0.240 0.000 1.103 482 M CB -0.810 31.517 32.600 -0.454 0.000 1.307 482 M HN 0.088 nan 8.290 nan 0.000 0.409 483 G N -0.497 108.239 108.800 -0.106 0.000 3.124 483 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.212 483 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.212 483 G C -0.082 174.810 174.900 -0.013 0.000 1.181 483 G CA -0.070 45.012 45.100 -0.029 0.000 0.803 483 G HN 0.497 nan 8.290 nan 0.000 0.529 484 D N 1.440 121.819 120.400 -0.034 0.000 2.422 484 D HA 0.082 4.722 4.640 -0.000 0.000 0.227 484 D C 1.592 177.885 176.300 -0.012 0.000 1.190 484 D CA -0.130 53.860 54.000 -0.018 0.000 0.905 484 D CB 0.830 41.612 40.800 -0.029 0.000 1.034 484 D HN 0.156 nan 8.370 nan 0.000 0.507 485 S N 1.780 117.478 115.700 -0.003 0.000 2.795 485 S HA -0.123 4.347 4.470 -0.000 0.000 0.236 485 S C 1.315 175.915 174.600 0.001 0.000 0.973 485 S CA 0.885 59.085 58.200 0.000 0.000 0.982 485 S CB -0.401 62.801 63.200 0.003 0.000 0.786 485 S HN 0.514 nan 8.310 nan 0.000 0.538 486 T N -2.789 111.764 114.554 -0.002 0.000 3.058 486 T HA 0.338 4.688 4.350 -0.000 0.000 0.278 486 T C 0.014 174.712 174.700 -0.004 0.000 0.974 486 T CA -0.185 61.914 62.100 -0.001 0.000 0.893 486 T CB 0.142 69.010 68.868 -0.001 0.000 1.138 486 T HN 0.130 nan 8.240 nan 0.000 0.529 487 V N 4.060 123.969 119.914 -0.008 0.000 2.364 487 V HA 0.431 4.550 4.120 -0.000 0.000 0.272 487 V C -2.320 173.767 176.094 -0.012 0.000 1.036 487 V CA -2.051 60.243 62.300 -0.011 0.000 0.880 487 V CB 0.953 32.767 31.823 -0.016 0.000 0.991 487 V HN 0.272 nan 8.190 nan 0.000 0.460 488 P HA 0.005 nan 4.420 nan 0.000 0.266 488 P C 0.852 178.124 177.300 -0.046 0.000 1.186 488 P CA 0.264 63.350 63.100 -0.023 0.000 0.767 488 P CB 0.731 32.414 31.700 -0.028 0.000 0.820 489 E N 0.988 121.153 120.200 -0.059 0.000 2.150 489 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 489 E C 1.582 178.006 176.600 -0.293 0.000 0.985 489 E CA 1.133 57.472 56.400 -0.102 0.000 0.814 489 E CB -0.051 29.659 29.700 0.017 0.000 0.752 489 E HN 0.515 nan 8.360 nan 0.000 0.466 490 Q N 0.172 119.735 119.800 -0.395 0.000 2.226 490 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 490 Q C 1.897 177.802 176.000 -0.158 0.000 0.975 490 Q CA 1.218 56.791 55.803 -0.384 0.000 0.866 490 Q CB -0.107 28.492 28.738 -0.232 0.000 0.915 490 Q HN 0.097 nan 8.270 nan 0.000 0.440 491 Q N 1.164 120.906 119.800 -0.097 0.000 2.033 491 Q HA -0.046 4.294 4.340 -0.000 0.000 0.196 491 Q C 1.504 177.508 176.000 0.006 0.000 0.970 491 Q CA 1.474 57.256 55.803 -0.034 0.000 0.828 491 Q CB 0.104 28.828 28.738 -0.022 0.000 0.895 491 Q HN 0.268 nan 8.270 nan 0.000 0.440 492 K N -0.493 119.917 120.400 0.016 0.000 2.127 492 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 492 K C 1.991 178.686 176.600 0.160 0.000 1.047 492 K CA 1.590 57.936 56.287 0.099 0.000 0.927 492 K CB -0.349 32.198 32.500 0.078 0.000 0.716 492 K HN 0.091 nan 8.250 nan 0.000 0.450 493 V N 1.852 121.810 119.914 0.073 0.000 2.343 493 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 493 V C 2.111 178.225 176.094 0.033 0.000 1.051 493 V CA 1.720 64.061 62.300 0.068 0.000 1.036 493 V CB -0.412 31.432 31.823 0.035 0.000 0.654 493 V HN 0.338 nan 8.190 nan 0.000 0.451 494 E N 0.043 120.255 120.200 0.020 0.000 2.038 494 E HA -0.245 4.104 4.350 -0.000 0.000 0.195 494 E C 2.222 178.830 176.600 0.013 0.000 1.000 494 E CA 1.553 57.959 56.400 0.010 0.000 0.803 494 E CB -0.278 29.426 29.700 0.006 0.000 0.750 494 E HN 0.497 nan 8.360 nan 0.000 0.448 495 L N 0.747 122.005 121.223 0.059 0.000 2.083 495 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 495 L C 2.605 179.456 176.870 -0.031 0.000 1.083 495 L CA 0.600 55.496 54.840 0.093 0.000 0.752 495 L CB -0.282 41.910 42.059 0.221 0.000 0.899 495 L HN 0.181 nan 8.230 nan 0.000 0.433 496 L N -0.547 120.597 121.223 -0.132 0.000 2.201 496 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 496 L C 2.822 179.467 176.870 -0.375 0.000 1.105 496 L CA 1.230 55.674 54.840 -0.661 0.000 0.775 496 L CB -0.170 41.642 42.059 -0.410 0.000 0.913 496 L HN 0.180 nan 8.230 nan 0.000 0.440 497 R N -0.534 119.870 120.500 -0.159 0.000 2.100 497 R HA -0.109 4.231 4.340 -0.000 0.000 0.220 497 R C 2.228 178.487 176.300 -0.070 0.000 1.091 497 R CA 0.858 56.904 56.100 -0.091 0.000 0.986 497 R CB -0.127 30.150 30.300 -0.039 0.000 0.888 497 R HN 0.320 nan 8.270 nan 0.000 0.444 498 K N 0.900 121.265 120.400 -0.058 0.000 2.057 498 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 498 K C 2.056 178.642 176.600 -0.024 0.000 1.050 498 K CA 1.263 57.535 56.287 -0.024 0.000 0.935 498 K CB -0.047 32.450 32.500 -0.005 0.000 0.715 498 K HN 0.089 nan 8.250 nan 0.000 0.439 499 A N 0.672 123.451 122.820 -0.068 0.000 1.908 499 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 499 A C 2.230 179.800 177.584 -0.022 0.000 1.181 499 A CA 1.735 53.742 52.037 -0.050 0.000 0.627 499 A CB -0.666 18.246 19.000 -0.147 0.000 0.818 499 A HN 0.170 nan 8.150 nan 0.000 0.445 500 V N -0.096 119.769 119.914 -0.083 0.000 2.244 500 V HA -0.299 3.821 4.120 -0.000 0.000 0.244 500 V C 2.551 178.677 176.094 0.053 0.000 1.042 500 V CA 2.189 64.476 62.300 -0.022 0.000 1.006 500 V CB -0.975 30.820 31.823 -0.045 0.000 0.641 500 V HN 0.654 nan 8.190 nan 0.000 0.446 501 Q N -0.361 119.457 119.800 0.030 0.000 2.368 501 Q HA -0.142 4.198 4.340 -0.000 0.000 0.210 501 Q C 2.229 178.273 176.000 0.074 0.000 0.982 501 Q CA 1.392 57.225 55.803 0.050 0.000 0.884 501 Q CB -0.303 28.452 28.738 0.027 0.000 0.933 501 Q HN 0.711 nan 8.270 nan 0.000 0.460 502 A N 0.505 123.374 122.820 0.082 0.000 1.855 502 A HA -0.181 4.138 4.320 -0.000 0.000 0.213 502 A C 1.923 179.605 177.584 0.164 0.000 1.195 502 A CA 1.079 53.175 52.037 0.099 0.000 0.610 502 A CB -0.707 18.344 19.000 0.085 0.000 0.837 502 A HN 0.367 nan 8.150 nan 0.000 0.444 503 H N 0.106 119.222 119.070 0.077 0.000 2.387 503 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 503 H C 2.193 177.592 175.328 0.119 0.000 1.099 503 H CA 1.979 58.078 56.048 0.085 0.000 1.315 503 H CB -0.076 29.705 29.762 0.032 0.000 1.380 503 H HN 0.511 nan 8.280 nan 0.000 0.513 504 R N 0.052 120.714 120.500 0.269 0.000 2.148 504 R HA 0.004 4.344 4.340 -0.000 0.000 0.223 504 R C 2.399 178.794 176.300 0.157 0.000 1.088 504 R CA 0.924 57.148 56.100 0.207 0.000 0.985 504 R CB -0.085 30.302 30.300 0.145 0.000 0.880 504 R HN 0.274 nan 8.270 nan 0.000 0.451 505 A N -0.174 122.728 122.820 0.136 0.000 1.930 505 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 505 A C 1.923 179.575 177.584 0.112 0.000 1.175 505 A CA 0.970 53.066 52.037 0.098 0.000 0.627 505 A CB -0.730 18.307 19.000 0.063 0.000 0.815 505 A HN 0.572 nan 8.150 nan 0.000 0.443 506 Y N 1.028 121.325 120.300 -0.004 0.000 2.200 506 Y HA -0.203 4.347 4.550 -0.000 0.000 0.290 506 Y C 2.776 178.670 175.900 -0.009 0.000 1.137 506 Y CA 2.043 60.124 58.100 -0.032 0.000 1.163 506 Y CB -0.148 38.230 38.460 -0.136 0.000 0.988 506 Y HN 0.362 nan 8.280 nan 0.000 0.518 507 T N 0.067 114.765 114.554 0.239 0.000 2.708 507 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 507 T C 1.291 176.082 174.700 0.151 0.000 1.037 507 T CA 1.553 63.760 62.100 0.179 0.000 1.146 507 T CB -0.451 68.519 68.868 0.170 0.000 0.865 507 T HN 0.398 nan 8.240 nan 0.000 0.435 508 D N 1.223 121.703 120.400 0.133 0.000 2.106 508 D HA -0.114 4.526 4.640 -0.000 0.000 0.191 508 D C 2.398 178.768 176.300 0.116 0.000 0.997 508 D CA 1.160 55.226 54.000 0.111 0.000 0.834 508 D CB -0.305 40.552 40.800 0.094 0.000 0.956 508 D HN 0.348 nan 8.370 nan 0.000 0.448 509 R N 0.734 121.300 120.500 0.110 0.000 2.083 509 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 509 R C 2.453 178.828 176.300 0.125 0.000 1.137 509 R CA 1.265 57.433 56.100 0.114 0.000 0.951 509 R CB -0.446 29.913 30.300 0.098 0.000 0.851 509 R HN 0.130 nan 8.270 nan 0.000 0.434 510 A N 1.705 124.604 122.820 0.131 0.000 1.869 510 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 510 A C 2.200 179.858 177.584 0.124 0.000 1.203 510 A CA 1.718 53.831 52.037 0.125 0.000 0.638 510 A CB -0.790 18.302 19.000 0.153 0.000 0.831 510 A HN 0.241 nan 8.150 nan 0.000 0.450 511 I N -0.851 119.800 120.570 0.135 0.000 2.113 511 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 511 I C 2.022 178.294 176.117 0.259 0.000 1.057 511 I CA 1.853 63.245 61.300 0.152 0.000 1.314 511 I CB -0.361 37.711 38.000 0.118 0.000 1.022 511 I HN 0.298 nan 8.210 nan 0.000 0.408 512 R N 1.189 121.843 120.500 0.257 0.000 2.547 512 R HA 0.174 4.513 4.340 -0.000 0.000 0.258 512 R C 0.801 177.320 176.300 0.365 0.000 1.115 512 R CA 0.440 56.779 56.100 0.397 0.000 1.152 512 R CB -0.276 30.171 30.300 0.244 0.000 1.221 512 R HN 0.480 nan 8.270 nan 0.000 0.539 513 G N 1.951 110.873 108.800 0.203 0.000 2.386 513 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.295 513 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.295 513 G C 0.214 175.113 174.900 -0.001 0.000 0.979 513 G CA 0.371 45.439 45.100 -0.053 0.000 1.193 513 G HN 0.553 nan 8.290 nan 0.000 0.508 514 E N -0.645 119.594 120.200 0.065 0.000 2.539 514 E HA 0.411 4.761 4.350 -0.000 0.000 0.215 514 E C 2.142 178.795 176.600 0.090 0.000 0.965 514 E CA 0.145 56.587 56.400 0.071 0.000 1.019 514 E CB 0.428 30.196 29.700 0.113 0.000 1.059 514 E HN 0.688 nan 8.360 nan 0.000 0.496 515 A N 1.193 124.077 122.820 0.107 0.000 2.802 515 A HA 0.112 4.431 4.320 -0.000 0.000 0.204 515 A C 1.081 178.833 177.584 0.279 0.000 1.677 515 A CA 1.410 53.548 52.037 0.168 0.000 1.023 515 A CB -0.229 18.811 19.000 0.067 0.000 1.619 515 A HN 0.367 nan 8.150 nan 0.000 0.751 516 F N -4.349 115.695 119.950 0.156 0.000 2.764 516 F HA 0.239 4.765 4.527 -0.001 0.000 0.393 516 F C 0.775 176.694 175.800 0.198 0.000 0.854 516 F CA 0.534 58.635 58.000 0.169 0.000 1.003 516 F CB -0.399 38.690 39.000 0.148 0.000 1.085 516 F HN 0.339 nan 8.300 nan 0.000 0.592 517 D N 1.684 121.771 120.400 -0.522 0.000 2.133 517 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 517 D C 1.980 178.280 176.300 0.001 0.000 0.997 517 D CA 1.839 55.688 54.000 -0.252 0.000 0.840 517 D CB -0.057 40.557 40.800 -0.310 0.000 0.947 517 D HN 0.096 nan 8.370 nan 0.000 0.452 518 R N -0.549 119.927 120.500 -0.041 0.000 2.119 518 R HA -0.025 4.315 4.340 -0.000 0.000 0.222 518 R C 2.077 178.565 176.300 0.314 0.000 1.088 518 R CA 0.804 56.892 56.100 -0.019 0.000 0.984 518 R CB -0.934 29.233 30.300 -0.222 0.000 0.884 518 R HN 0.547 nan 8.270 nan 0.000 0.447 519 H N 0.438 119.661 119.070 0.254 0.000 2.357 519 H HA 0.039 4.595 4.556 -0.000 0.000 0.301 519 H C 1.983 177.481 175.328 0.284 0.000 1.082 519 H CA 1.063 57.319 56.048 0.347 0.000 1.342 519 H CB 0.197 30.101 29.762 0.235 0.000 1.389 519 H HN 0.031 nan 8.280 nan 0.000 0.511 520 L N 0.379 121.776 121.223 0.290 0.000 2.083 520 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 520 L C 2.582 179.551 176.870 0.165 0.000 1.083 520 L CA 0.533 55.511 54.840 0.231 0.000 0.752 520 L CB -0.276 41.986 42.059 0.339 0.000 0.899 520 L HN 0.342 nan 8.230 nan 0.000 0.433 521 L N 0.135 121.470 121.223 0.186 0.000 2.201 521 L HA -0.037 4.303 4.340 -0.000 0.000 0.212 521 L C 2.217 179.139 176.870 0.087 0.000 1.105 521 L CA 1.769 56.661 54.840 0.086 0.000 0.775 521 L CB -0.730 41.424 42.059 0.158 0.000 0.913 521 L HN 0.088 nan 8.230 nan 0.000 0.440 522 G N -0.902 108.112 108.800 0.356 0.000 2.430 522 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 522 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 522 G C 1.556 176.586 174.900 0.217 0.000 1.146 522 G CA 0.666 46.079 45.100 0.521 0.000 0.793 522 G HN 0.390 nan 8.290 nan 0.000 0.537 523 L N 0.068 121.405 121.223 0.190 0.000 2.005 523 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 523 L C 2.817 179.736 176.870 0.082 0.000 1.072 523 L CA 1.549 56.500 54.840 0.184 0.000 0.744 523 L CB -0.301 41.932 42.059 0.291 0.000 0.895 523 L HN 0.197 nan 8.230 nan 0.000 0.433 524 K N 0.471 120.763 120.400 -0.180 0.000 2.103 524 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 524 K C 2.105 178.494 176.600 -0.352 0.000 1.048 524 K CA 1.346 57.322 56.287 -0.518 0.000 0.930 524 K CB -0.053 31.669 32.500 -1.296 0.000 0.716 524 K HN 0.243 nan 8.250 nan 0.000 0.444 525 L N 0.522 121.469 121.223 -0.460 0.000 2.156 525 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 525 L C 2.572 179.107 176.870 -0.559 0.000 1.095 525 L CA 0.835 55.225 54.840 -0.750 0.000 0.770 525 L CB -0.205 40.944 42.059 -1.517 0.000 0.914 525 L HN 0.269 nan 8.230 nan 0.000 0.439 526 Q N 0.211 119.864 119.800 -0.244 0.000 2.311 526 Q HA -0.037 4.303 4.340 -0.000 0.000 0.203 526 Q C 1.978 178.024 176.000 0.077 0.000 0.954 526 Q CA 1.382 57.264 55.803 0.131 0.000 0.885 526 Q CB 0.021 28.908 28.738 0.248 0.000 0.963 526 Q HN 0.386 nan 8.270 nan 0.000 0.471 527 A N -0.329 122.509 122.820 0.029 0.000 2.067 527 A HA 0.062 4.381 4.320 -0.000 0.000 0.217 527 A C 1.902 179.500 177.584 0.022 0.000 1.156 527 A CA 0.697 52.770 52.037 0.060 0.000 0.683 527 A CB -0.283 18.791 19.000 0.122 0.000 0.808 527 A HN 0.437 nan 8.150 nan 0.000 0.455 528 I N -0.966 119.586 120.570 -0.029 0.000 2.400 528 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 528 I C 2.436 178.561 176.117 0.013 0.000 1.109 528 I CA 1.319 62.602 61.300 -0.029 0.000 1.425 528 I CB -0.185 37.763 38.000 -0.086 0.000 1.094 528 I HN 0.499 nan 8.210 nan 0.000 0.425 529 E N 1.086 121.314 120.200 0.046 0.000 2.265 529 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 529 E C 0.781 177.431 176.600 0.083 0.000 0.996 529 E CA 1.229 57.690 56.400 0.102 0.000 0.832 529 E CB 0.110 29.939 29.700 0.215 0.000 0.756 529 E HN 0.355 nan 8.360 nan 0.000 0.491 530 D N 0.255 120.698 120.400 0.071 0.000 2.328 530 D HA 0.079 4.719 4.640 -0.000 0.000 0.226 530 D C 0.089 176.412 176.300 0.039 0.000 1.066 530 D CA 0.127 54.160 54.000 0.056 0.000 0.861 530 D CB 0.012 40.846 40.800 0.056 0.000 0.912 530 D HN 0.206 nan 8.370 nan 0.000 0.521 531 L N 0.116 121.360 121.223 0.034 0.000 3.823 531 L HA -0.210 4.130 4.340 -0.000 0.000 0.525 531 L C -0.370 176.513 176.870 0.021 0.000 1.247 531 L CA 0.095 54.950 54.840 0.024 0.000 0.776 531 L CB -1.596 40.477 42.059 0.022 0.000 1.443 531 L HN -0.022 nan 8.230 nan 0.000 0.831 532 V N 0.437 120.365 119.914 0.024 0.000 2.760 532 V HA 0.627 4.746 4.120 -0.000 0.000 0.309 532 V C 0.563 176.671 176.094 0.025 0.000 1.077 532 V CA 0.132 62.447 62.300 0.025 0.000 0.910 532 V CB 2.350 34.193 31.823 0.033 0.000 1.008 532 V HN 0.486 nan 8.190 nan 0.000 0.424 533 S N 6.280 121.990 115.700 0.018 0.000 2.810 533 S HA 0.017 4.487 4.470 -0.000 0.000 0.329 533 S C 0.082 174.695 174.600 0.022 0.000 1.231 533 S CA -0.082 58.125 58.200 0.013 0.000 1.042 533 S CB -0.263 62.940 63.200 0.005 0.000 0.756 533 S HN 1.173 nan 8.310 nan 0.000 0.504 534 M N 4.511 124.124 119.600 0.021 0.000 2.338 534 M HA 0.176 4.656 4.480 -0.000 0.000 0.360 534 M C -2.292 174.018 176.300 0.016 0.000 1.547 534 M CA -1.397 53.933 55.300 0.050 0.000 1.001 534 M CB -0.566 32.058 32.600 0.039 0.000 2.008 534 M HN 0.465 nan 8.290 nan 0.000 0.464 535 P HA -0.034 nan 4.420 nan 0.000 0.264 535 P C -0.344 176.728 177.300 -0.379 0.000 1.179 535 P CA 0.234 63.196 63.100 -0.231 0.000 0.763 535 P CB 0.454 31.875 31.700 -0.466 0.000 0.806 536 D N 1.695 121.881 120.400 -0.357 0.000 2.309 536 D HA -0.133 4.506 4.640 -0.000 0.000 0.212 536 D C 1.525 177.542 176.300 -0.472 0.000 0.968 536 D CA 0.658 54.467 54.000 -0.318 0.000 0.882 536 D CB -0.514 40.150 40.800 -0.227 0.000 0.918 536 D HN 0.396 nan 8.370 nan 0.000 0.503 537 I N -0.585 119.489 120.570 -0.827 0.000 2.493 537 I HA -0.189 3.981 4.170 -0.000 0.000 0.254 537 I C 0.856 176.459 176.117 -0.857 0.000 1.160 537 I CA 1.015 61.745 61.300 -0.948 0.000 1.445 537 I CB 0.065 37.174 38.000 -1.485 0.000 1.086 537 I HN -0.057 nan 8.210 nan 0.000 0.433 538 F N -0.291 119.306 119.950 -0.589 0.000 2.765 538 F HA 0.165 4.692 4.527 -0.001 0.000 0.302 538 F C 1.748 177.351 175.800 -0.328 0.000 1.111 538 F CA -0.133 57.420 58.000 -0.744 0.000 1.359 538 F CB 0.044 38.638 39.000 -0.677 0.000 1.097 538 F HN 0.003 nan 8.300 nan 0.000 0.577 539 M N -1.055 118.485 119.600 -0.100 0.000 2.333 539 M HA 0.119 4.598 4.480 -0.000 0.000 0.257 539 M C -0.041 176.257 176.300 -0.003 0.000 1.078 539 M CA -0.123 55.165 55.300 -0.020 0.000 1.005 539 M CB 0.077 32.650 32.600 -0.045 0.000 1.444 539 M HN -0.159 nan 8.290 nan 0.000 0.496 540 D N 0.812 121.196 120.400 -0.028 0.000 2.368 540 D HA 0.042 4.682 4.640 -0.000 0.000 0.240 540 D C 0.872 177.227 176.300 0.091 0.000 1.169 540 D CA 0.661 54.659 54.000 -0.004 0.000 0.906 540 D CB 1.327 42.093 40.800 -0.056 0.000 1.187 540 D HN -0.042 nan 8.370 nan 0.000 0.435 541 T N 0.851 115.451 114.554 0.076 0.000 2.857 541 T HA -0.072 4.277 4.350 -0.000 0.000 0.266 541 T C 1.962 176.715 174.700 0.087 0.000 1.048 541 T CA 1.028 63.174 62.100 0.076 0.000 1.139 541 T CB -0.081 68.828 68.868 0.069 0.000 0.874 541 T HN 0.298 nan 8.240 nan 0.000 0.455 542 S N 0.575 116.334 115.700 0.098 0.000 2.368 542 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 542 S C 1.702 176.396 174.600 0.157 0.000 1.030 542 S CA 1.087 59.343 58.200 0.093 0.000 0.999 542 S CB -0.482 62.746 63.200 0.047 0.000 0.844 542 S HN 0.632 nan 8.310 nan 0.000 0.459 543 Y N 2.098 122.490 120.300 0.152 0.000 2.181 543 Y HA -0.133 4.417 4.550 -0.000 0.000 0.288 543 Y C 2.354 178.335 175.900 0.134 0.000 1.146 543 Y CA 1.151 59.399 58.100 0.247 0.000 1.164 543 Y CB -0.542 38.066 38.460 0.245 0.000 0.982 543 Y HN 0.230 nan 8.280 nan 0.000 0.515 544 A N 0.069 122.964 122.820 0.127 0.000 1.969 544 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 544 A C 2.214 179.742 177.584 -0.094 0.000 1.169 544 A CA 1.614 53.645 52.037 -0.010 0.000 0.635 544 A CB -0.930 18.090 19.000 0.033 0.000 0.810 544 A HN 0.593 nan 8.150 nan 0.000 0.445 545 I N -0.362 120.177 120.570 -0.052 0.000 2.163 545 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 545 I C 2.900 178.947 176.117 -0.117 0.000 1.081 545 I CA 1.073 62.337 61.300 -0.061 0.000 1.353 545 I CB -0.298 37.694 38.000 -0.014 0.000 1.054 545 I HN 0.325 nan 8.210 nan 0.000 0.407 546 A N 0.046 122.798 122.820 -0.112 0.000 2.125 546 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 546 A C 2.105 179.431 177.584 -0.429 0.000 1.156 546 A CA 1.339 53.290 52.037 -0.143 0.000 0.671 546 A CB -0.294 18.739 19.000 0.055 0.000 0.794 546 A HN 0.345 nan 8.150 nan 0.000 0.459 547 M N -0.952 118.356 119.600 -0.487 0.000 2.428 547 M HA 0.121 4.600 4.480 -0.000 0.000 0.239 547 M C 0.288 176.226 176.300 -0.603 0.000 1.121 547 M CA 0.415 55.353 55.300 -0.604 0.000 1.019 547 M CB -0.553 31.758 32.600 -0.481 0.000 1.485 547 M HN 0.443 nan 8.290 nan 0.000 0.484 548 H N 0.204 118.908 119.070 -0.610 0.000 2.700 548 H HA 0.232 4.788 4.556 -0.001 0.000 0.269 548 H C -1.240 173.848 175.328 -0.401 0.000 1.222 548 H CA -0.395 55.430 56.048 -0.372 0.000 1.254 548 H CB 0.199 29.839 29.762 -0.205 0.000 1.413 548 H HN -0.059 nan 8.280 nan 0.000 0.507 549 F N 4.200 124.068 119.950 -0.137 0.000 2.423 549 F HA 0.118 4.644 4.527 -0.001 0.000 0.356 549 F C 1.649 177.356 175.800 -0.155 0.000 1.170 549 F CA -0.496 57.446 58.000 -0.097 0.000 1.163 549 F CB 0.197 39.175 39.000 -0.036 0.000 1.318 549 F HN 0.510 nan 8.300 nan 0.000 0.569 550 N N 2.383 121.068 118.700 -0.026 0.000 2.289 550 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 550 N C 0.234 175.731 175.510 -0.023 0.000 1.016 550 N CA 0.921 53.916 53.050 -0.092 0.000 0.872 550 N CB 0.427 38.825 38.487 -0.148 0.000 0.973 550 N HN 0.404 nan 8.380 nan 0.000 0.433 551 L N 0.844 122.086 121.223 0.031 0.000 2.345 551 L HA 0.202 4.541 4.340 -0.000 0.000 0.274 551 L C -0.452 176.518 176.870 0.167 0.000 0.999 551 L CA -0.320 54.578 54.840 0.097 0.000 0.849 551 L CB 1.827 43.882 42.059 -0.005 0.000 1.220 551 L HN -0.175 nan 8.230 nan 0.000 0.422 552 S N 2.688 118.500 115.700 0.188 0.000 2.520 552 S HA 0.653 5.123 4.470 -0.000 0.000 0.324 552 S C -0.226 174.569 174.600 0.325 0.000 1.069 552 S CA -0.416 57.886 58.200 0.170 0.000 1.121 552 S CB 0.610 63.856 63.200 0.076 0.000 0.971 552 S HN 0.663 nan 8.310 nan 0.000 0.463 553 T N 0.977 115.729 114.554 0.331 0.000 2.916 553 T HA 0.879 5.228 4.350 -0.000 0.000 0.292 553 T C -0.610 174.318 174.700 0.381 0.000 1.064 553 T CA -0.705 61.646 62.100 0.418 0.000 1.011 553 T CB 1.609 70.706 68.868 0.382 0.000 1.152 553 T HN 1.008 nan 8.240 nan 0.000 0.510 554 S N 0.203 116.132 115.700 0.383 0.000 2.542 554 S HA 0.436 4.905 4.470 -0.000 0.000 0.276 554 S C -1.326 173.193 174.600 -0.136 0.000 1.148 554 S CA -0.982 57.326 58.200 0.179 0.000 0.886 554 S CB 1.735 65.076 63.200 0.235 0.000 1.109 554 S HN 1.078 nan 8.310 nan 0.000 0.458 555 Q N 1.111 120.712 119.800 -0.332 0.000 2.235 555 Q HA 0.655 4.994 4.340 -0.000 0.000 0.250 555 Q C -1.362 174.469 176.000 -0.282 0.000 0.909 555 Q CA -0.751 54.652 55.803 -0.665 0.000 0.910 555 Q CB 1.336 29.787 28.738 -0.478 0.000 1.223 555 Q HN 0.731 nan 8.270 nan 0.000 0.432 556 V N 5.330 125.084 119.914 -0.265 0.000 2.558 556 V HA 0.287 4.406 4.120 -0.000 0.000 0.261 556 V C -2.403 173.624 176.094 -0.112 0.000 0.958 556 V CA -1.453 60.771 62.300 -0.128 0.000 0.852 556 V CB 0.878 32.653 31.823 -0.080 0.000 1.067 556 V HN 0.786 nan 8.190 nan 0.000 0.468 557 P HA 0.518 nan 4.420 nan 0.000 0.268 557 P C -0.363 176.912 177.300 -0.041 0.000 1.205 557 P CA 0.306 63.372 63.100 -0.056 0.000 0.771 557 P CB 0.965 32.649 31.700 -0.026 0.000 0.858 558 A N 2.223 125.022 122.820 -0.034 0.000 2.555 558 A HA 0.276 4.596 4.320 -0.000 0.000 0.297 558 A C 0.667 178.247 177.584 -0.007 0.000 1.060 558 A CA -0.627 51.398 52.037 -0.021 0.000 0.710 558 A CB 1.095 20.075 19.000 -0.033 0.000 1.282 558 A HN 0.385 nan 8.150 nan 0.000 0.399 559 K N 0.408 120.815 120.400 0.011 0.000 2.148 559 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 559 K C 0.541 177.158 176.600 0.028 0.000 1.050 559 K CA 1.397 57.698 56.287 0.023 0.000 0.942 559 K CB -0.123 32.398 32.500 0.035 0.000 0.724 559 K HN 0.827 nan 8.250 nan 0.000 0.446 560 T N 1.200 115.768 114.554 0.024 0.000 2.802 560 T HA -0.023 4.327 4.350 -0.000 0.000 0.305 560 T C 0.070 174.794 174.700 0.040 0.000 1.053 560 T CA -0.122 61.999 62.100 0.035 0.000 1.058 560 T CB 0.685 69.570 68.868 0.028 0.000 0.988 560 T HN -0.012 nan 8.240 nan 0.000 0.539 561 D N 1.225 121.663 120.400 0.063 0.000 2.639 561 D HA 0.330 4.970 4.640 -0.000 0.000 0.233 561 D C -0.184 176.166 176.300 0.082 0.000 1.161 561 D CA -0.527 53.529 54.000 0.094 0.000 1.003 561 D CB -0.717 40.162 40.800 0.132 0.000 1.034 561 D HN 0.653 nan 8.370 nan 0.000 0.514 562 C N -0.150 119.183 119.300 0.055 0.000 2.973 562 C HA 0.914 5.374 4.460 -0.000 0.000 0.329 562 C C -0.462 174.561 174.990 0.054 0.000 1.327 562 C CA -0.979 58.073 59.018 0.057 0.000 1.632 562 C CB 1.401 29.158 27.740 0.028 0.000 2.098 562 C HN 0.199 nan 8.230 nan 0.000 0.469 563 V N 1.612 121.584 119.914 0.096 0.000 2.777 563 V HA 0.568 4.688 4.120 -0.000 0.000 0.306 563 V C -0.834 175.364 176.094 0.174 0.000 1.112 563 V CA -0.348 62.024 62.300 0.119 0.000 0.917 563 V CB 1.934 33.848 31.823 0.151 0.000 1.018 563 V HN 1.111 nan 8.190 nan 0.000 0.426 564 M N 6.296 125.939 119.600 0.072 0.000 2.359 564 M HA 0.774 5.254 4.480 -0.000 0.000 0.322 564 M C -1.255 175.057 176.300 0.019 0.000 1.166 564 M CA -0.363 54.905 55.300 -0.052 0.000 1.067 564 M CB 1.398 33.983 32.600 -0.025 0.000 1.523 564 M HN 0.726 nan 8.290 nan 0.000 0.467 565 F N 1.187 121.084 119.950 -0.089 0.000 2.678 565 F HA 0.794 5.322 4.527 0.001 0.000 0.308 565 F C -1.849 173.864 175.800 -0.145 0.000 1.118 565 F CA -1.503 56.308 58.000 -0.315 0.000 0.959 565 F CB 0.918 39.809 39.000 -0.181 0.000 1.305 565 F HN 0.509 nan 8.300 nan 0.000 0.443 566 F N -0.781 119.326 119.950 0.262 0.000 2.678 566 F HA 0.860 5.387 4.527 -0.000 0.000 0.308 566 F C 0.011 175.897 175.800 0.144 0.000 1.118 566 F CA -1.723 56.377 58.000 0.165 0.000 0.959 566 F CB 0.723 39.791 39.000 0.112 0.000 1.305 566 F HN 0.879 nan 8.300 nan 0.000 0.443 567 G N 0.474 109.485 108.800 0.351 0.000 2.684 567 G HA2 0.533 4.492 3.960 -0.000 0.000 0.255 567 G HA3 0.533 4.492 3.960 -0.000 0.000 0.255 567 G C -2.970 172.079 174.900 0.248 0.000 1.219 567 G CA -1.465 43.757 45.100 0.203 0.000 0.901 567 G HN 0.517 nan 8.290 nan 0.000 0.548 568 P HA 0.209 nan 4.420 nan 0.000 0.276 568 P C 1.158 178.629 177.300 0.286 0.000 1.244 568 P CA -0.445 62.725 63.100 0.117 0.000 0.801 568 P CB 1.309 32.960 31.700 -0.081 0.000 1.006 569 V N 0.127 120.137 119.914 0.161 0.000 2.379 569 V HA -0.023 4.097 4.120 -0.000 0.000 0.243 569 V C 1.041 177.182 176.094 0.079 0.000 1.035 569 V CA 1.146 63.498 62.300 0.086 0.000 1.035 569 V CB -1.405 30.402 31.823 -0.027 0.000 0.673 569 V HN 0.358 nan 8.190 nan 0.000 0.457 570 V N -3.168 116.753 119.914 0.011 0.000 2.997 570 V HA 0.484 4.603 4.120 -0.000 0.000 0.311 570 V C -1.472 174.690 176.094 0.113 0.000 1.066 570 V CA -1.592 60.664 62.300 -0.073 0.000 1.039 570 V CB 0.565 32.135 31.823 -0.420 0.000 1.081 570 V HN 0.126 nan 8.190 nan 0.000 0.467 571 P HA -0.001 nan 4.420 nan 0.000 0.223 571 P C -0.025 177.366 177.300 0.151 0.000 1.151 571 P CA 1.323 64.433 63.100 0.016 0.000 0.787 571 P CB -0.068 31.588 31.700 -0.073 0.000 0.788 572 D N -1.607 118.832 120.400 0.065 0.000 2.892 572 D HA 0.382 5.022 4.640 -0.000 0.000 0.291 572 D C 0.571 176.785 176.300 -0.143 0.000 1.341 572 D CA -0.592 53.398 54.000 -0.018 0.000 0.844 572 D CB -0.153 40.647 40.800 0.000 0.000 1.093 572 D HN -0.033 nan 8.370 nan 0.000 0.480 573 G N -0.896 107.821 108.800 -0.139 0.000 2.730 573 G HA2 0.581 4.541 3.960 -0.000 0.000 0.289 573 G HA3 0.581 4.541 3.960 -0.000 0.000 0.289 573 G C -1.579 173.130 174.900 -0.319 0.000 1.341 573 G CA -0.948 44.015 45.100 -0.228 0.000 0.932 573 G HN 0.118 nan 8.290 nan 0.000 0.481 574 Y N -1.042 119.279 120.300 0.036 0.000 2.468 574 Y HA 0.571 5.120 4.550 -0.001 0.000 0.342 574 Y C 0.742 176.680 175.900 0.064 0.000 1.021 574 Y CA -0.714 57.403 58.100 0.027 0.000 1.079 574 Y CB 2.768 41.268 38.460 0.066 0.000 1.226 574 Y HN 0.662 nan 8.280 nan 0.000 0.460 575 G N 3.683 112.622 108.800 0.231 0.000 2.522 575 G HA2 0.625 4.585 3.960 -0.000 0.000 0.318 575 G HA3 0.625 4.585 3.960 -0.000 0.000 0.318 575 G C -1.142 173.816 174.900 0.097 0.000 1.192 575 G CA -0.392 44.848 45.100 0.234 0.000 0.988 575 G HN 0.519 nan 8.290 nan 0.000 0.480 576 I N 1.724 122.392 120.570 0.163 0.000 2.436 576 I HA 0.412 4.582 4.170 -0.000 0.000 0.289 576 I C -0.444 175.786 176.117 0.189 0.000 1.010 576 I CA -0.719 60.657 61.300 0.128 0.000 1.098 576 I CB 2.101 40.200 38.000 0.166 0.000 1.266 576 I HN 0.415 nan 8.210 nan 0.000 0.434 577 C N 7.174 126.550 119.300 0.127 0.000 2.889 577 C HA 0.878 5.338 4.460 -0.000 0.000 0.307 577 C C -1.461 173.747 174.990 0.363 0.000 1.251 577 C CA -0.338 58.790 59.018 0.183 0.000 1.593 577 C CB 1.747 29.402 27.740 -0.142 0.000 2.104 577 C HN 0.759 nan 8.230 nan 0.000 0.476 578 Y N 1.777 122.090 120.300 0.023 0.000 2.604 578 Y HA 0.581 5.131 4.550 0.000 0.000 0.331 578 Y C -1.102 174.705 175.900 -0.156 0.000 1.158 578 Y CA -1.196 56.814 58.100 -0.150 0.000 1.056 578 Y CB 0.684 38.910 38.460 -0.391 0.000 1.330 578 Y HN 0.569 nan 8.280 nan 0.000 0.457 579 N N 2.693 121.315 118.700 -0.130 0.000 2.626 579 N HA 0.504 5.243 4.740 -0.000 0.000 0.249 579 N C -3.272 172.145 175.510 -0.154 0.000 1.021 579 N CA -2.576 50.392 53.050 -0.137 0.000 0.886 579 N CB 1.676 40.101 38.487 -0.103 0.000 1.149 579 N HN 0.411 nan 8.380 nan 0.000 0.517 580 P HA 0.203 nan 4.420 nan 0.000 0.256 580 P C 0.153 177.418 177.300 -0.059 0.000 1.689 580 P CA -0.207 62.860 63.100 -0.056 0.000 1.124 580 P CB -0.018 31.726 31.700 0.074 0.000 1.766 581 M N 0.047 119.560 119.600 -0.144 0.000 2.159 581 M HA 0.378 4.857 4.480 -0.000 0.000 0.293 581 M C 1.443 177.730 176.300 -0.023 0.000 1.186 581 M CA -0.325 54.915 55.300 -0.100 0.000 1.073 581 M CB 0.375 32.873 32.600 -0.169 0.000 1.419 581 M HN -0.065 nan 8.290 nan 0.000 0.490 582 E N 1.109 121.324 120.200 0.025 0.000 2.086 582 E HA -0.192 4.158 4.350 -0.000 0.000 0.200 582 E C 1.739 178.410 176.600 0.119 0.000 1.012 582 E CA 3.037 59.480 56.400 0.071 0.000 0.812 582 E CB -0.188 29.552 29.700 0.067 0.000 0.743 582 E HN 0.806 nan 8.360 nan 0.000 0.453 583 A N -0.385 122.521 122.820 0.143 0.000 1.942 583 A HA 0.095 4.415 4.320 -0.000 0.000 0.209 583 A C 1.010 178.746 177.584 0.253 0.000 1.214 583 A CA 0.935 53.093 52.037 0.202 0.000 0.686 583 A CB -0.372 18.751 19.000 0.205 0.000 0.871 583 A HN 0.530 nan 8.150 nan 0.000 0.460 584 H N -1.846 117.277 119.070 0.087 0.000 2.896 584 H HA 0.778 5.334 4.556 -0.001 0.000 0.318 584 H C -1.532 173.845 175.328 0.082 0.000 1.409 584 H CA -1.620 54.482 56.048 0.090 0.000 1.328 584 H CB 1.017 30.828 29.762 0.081 0.000 1.940 584 H HN 0.118 nan 8.280 nan 0.000 0.665 585 I N 1.104 121.704 120.570 0.051 0.000 2.548 585 I HA 0.180 4.350 4.170 -0.000 0.000 0.287 585 I C -0.874 175.154 176.117 -0.148 0.000 1.103 585 I CA -0.503 60.693 61.300 -0.173 0.000 1.049 585 I CB 1.857 39.716 38.000 -0.236 0.000 1.232 585 I HN 0.466 nan 8.210 nan 0.000 0.429 586 N N 6.145 124.717 118.700 -0.214 0.000 2.408 586 N HA 0.481 5.221 4.740 -0.000 0.000 0.257 586 N C -1.358 174.088 175.510 -0.108 0.000 1.064 586 N CA -0.288 52.737 53.050 -0.041 0.000 0.952 586 N CB 0.868 39.361 38.487 0.011 0.000 1.093 586 N HN 0.263 nan 8.380 nan 0.000 0.490 587 F N 0.814 120.836 119.950 0.121 0.000 2.508 587 F HA 0.435 4.962 4.527 0.001 0.000 0.325 587 F C 0.595 176.418 175.800 0.038 0.000 1.090 587 F CA -0.820 57.233 58.000 0.088 0.000 0.945 587 F CB 1.729 40.748 39.000 0.031 0.000 1.156 587 F HN 0.282 nan 8.300 nan 0.000 0.463 588 S N 1.438 117.277 115.700 0.231 0.000 2.542 588 S HA 0.935 5.404 4.470 -0.000 0.000 0.293 588 S C -1.443 173.171 174.600 0.023 0.000 1.089 588 S CA -0.693 57.540 58.200 0.056 0.000 0.961 588 S CB 1.866 65.090 63.200 0.039 0.000 1.062 588 S HN 0.410 nan 8.310 nan 0.000 0.483 589 V N 2.426 122.316 119.914 -0.041 0.000 2.655 589 V HA 0.693 4.812 4.120 -0.000 0.000 0.301 589 V C -0.373 175.703 176.094 -0.031 0.000 1.082 589 V CA -0.516 61.758 62.300 -0.042 0.000 0.899 589 V CB 1.821 33.585 31.823 -0.098 0.000 1.014 589 V HN 1.185 nan 8.190 nan 0.000 0.429 590 S N 3.280 118.990 115.700 0.015 0.000 2.568 590 S HA 1.014 5.484 4.470 -0.000 0.000 0.302 590 S C -0.431 174.193 174.600 0.040 0.000 1.082 590 S CA -0.118 58.080 58.200 -0.004 0.000 1.009 590 S CB 2.510 65.691 63.200 -0.030 0.000 1.069 590 S HN 1.771 nan 8.310 nan 0.000 0.500 591 A N 0.911 123.681 122.820 -0.084 0.000 2.599 591 A HA 0.720 5.040 4.320 -0.000 0.000 0.290 591 A C -2.227 175.219 177.584 -0.230 0.000 1.101 591 A CA -0.844 51.116 52.037 -0.127 0.000 0.674 591 A CB 0.677 19.782 19.000 0.175 0.000 1.277 591 A HN 0.758 nan 8.150 nan 0.000 0.419 592 Y N 0.957 121.281 120.300 0.041 0.000 2.377 592 Y HA 0.367 4.916 4.550 -0.001 0.000 0.339 592 Y C 1.299 177.217 175.900 0.029 0.000 1.011 592 Y CA -1.008 57.115 58.100 0.040 0.000 1.093 592 Y CB 1.576 40.053 38.460 0.029 0.000 1.201 592 Y HN 0.724 nan 8.280 nan 0.000 0.455 593 N N 0.356 119.180 118.700 0.205 0.000 2.331 593 N HA -0.138 4.602 4.740 -0.000 0.000 0.180 593 N C 1.789 177.354 175.510 0.092 0.000 1.019 593 N CA 1.291 54.412 53.050 0.118 0.000 0.881 593 N CB -0.097 38.444 38.487 0.089 0.000 0.972 593 N HN 0.680 nan 8.380 nan 0.000 0.435 594 S N -1.058 114.698 115.700 0.093 0.000 2.537 594 S HA -0.053 4.417 4.470 -0.000 0.000 0.240 594 S C 1.035 175.661 174.600 0.044 0.000 0.981 594 S CA -0.087 58.137 58.200 0.040 0.000 0.948 594 S CB -0.565 62.630 63.200 -0.008 0.000 0.759 594 S HN 0.310 nan 8.310 nan 0.000 0.531 595 C N 1.607 120.953 119.300 0.077 0.000 2.293 595 C HA 0.845 5.305 4.460 -0.000 0.000 0.323 595 C C 1.599 176.627 174.990 0.063 0.000 1.240 595 C CA -0.499 58.556 59.018 0.063 0.000 1.497 595 C CB -0.064 27.717 27.740 0.069 0.000 2.171 595 C HN 0.557 nan 8.230 nan 0.000 0.465 596 A N 3.614 126.465 122.820 0.052 0.000 1.969 596 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 596 A C 1.627 179.252 177.584 0.067 0.000 1.169 596 A CA 1.500 53.568 52.037 0.053 0.000 0.635 596 A CB -0.212 18.811 19.000 0.038 0.000 0.810 596 A HN 0.887 nan 8.150 nan 0.000 0.445 597 E N 0.249 120.500 120.200 0.085 0.000 2.463 597 E HA 0.068 4.418 4.350 -0.000 0.000 0.191 597 E C 0.253 176.984 176.600 0.219 0.000 1.083 597 E CA 0.693 57.183 56.400 0.150 0.000 0.872 597 E CB -0.127 29.694 29.700 0.201 0.000 0.966 597 E HN 0.653 nan 8.360 nan 0.000 0.491 598 T N -1.416 113.218 114.554 0.134 0.000 2.824 598 T HA 0.465 4.815 4.350 -0.000 0.000 0.282 598 T C -0.502 174.354 174.700 0.260 0.000 0.993 598 T CA -1.046 61.150 62.100 0.160 0.000 0.967 598 T CB 1.418 70.180 68.868 -0.176 0.000 0.960 598 T HN -0.031 nan 8.240 nan 0.000 0.441 599 N N 1.799 120.750 118.700 0.419 0.000 2.533 599 N HA 0.384 5.124 4.740 -0.000 0.000 0.289 599 N C 0.991 176.583 175.510 0.136 0.000 1.103 599 N CA -0.284 52.890 53.050 0.208 0.000 0.877 599 N CB 2.078 40.619 38.487 0.089 0.000 1.419 599 N HN 0.755 nan 8.380 nan 0.000 0.517 600 A N 4.110 126.990 122.820 0.101 0.000 1.849 600 A HA -0.169 4.150 4.320 -0.000 0.000 0.216 600 A C 2.134 179.618 177.584 -0.166 0.000 1.225 600 A CA 2.591 54.608 52.037 -0.034 0.000 0.653 600 A CB -1.379 17.611 19.000 -0.016 0.000 0.844 600 A HN 0.855 nan 8.150 nan 0.000 0.453 601 A N -0.722 121.997 122.820 -0.168 0.000 1.954 601 A HA -0.324 3.995 4.320 -0.000 0.000 0.222 601 A C 2.276 179.503 177.584 -0.595 0.000 1.199 601 A CA 2.652 54.475 52.037 -0.357 0.000 0.657 601 A CB -0.624 18.232 19.000 -0.240 0.000 0.823 601 A HN 0.633 nan 8.150 nan 0.000 0.463 602 R N -1.884 118.445 120.500 -0.284 0.000 2.092 602 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 602 R C 2.104 178.337 176.300 -0.113 0.000 1.119 602 R CA 1.788 57.816 56.100 -0.120 0.000 0.970 602 R CB -0.264 30.015 30.300 -0.035 0.000 0.864 602 R HN 0.487 nan 8.270 nan 0.000 0.440 603 M N 0.069 119.509 119.600 -0.266 0.000 2.254 603 M HA 0.053 4.533 4.480 -0.000 0.000 0.265 603 M C 1.886 178.048 176.300 -0.229 0.000 1.066 603 M CA 1.652 56.740 55.300 -0.353 0.000 1.123 603 M CB -0.134 31.981 32.600 -0.808 0.000 1.388 603 M HN 0.210 nan 8.290 nan 0.000 0.425 604 A N -1.124 121.547 122.820 -0.248 0.000 1.898 604 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 604 A C 1.972 179.531 177.584 -0.042 0.000 1.181 604 A CA 1.884 53.802 52.037 -0.197 0.000 0.620 604 A CB -1.268 17.617 19.000 -0.192 0.000 0.819 604 A HN 0.741 nan 8.150 nan 0.000 0.442 605 H N -2.964 116.122 119.070 0.026 0.000 2.357 605 H HA -0.136 4.420 4.556 -0.001 0.000 0.301 605 H C 1.792 177.127 175.328 0.011 0.000 1.082 605 H CA 1.629 57.699 56.048 0.036 0.000 1.342 605 H CB -0.107 29.688 29.762 0.055 0.000 1.389 605 H HN 0.604 nan 8.280 nan 0.000 0.511 606 Y N -0.054 120.255 120.300 0.014 0.000 2.395 606 Y HA -0.114 4.435 4.550 -0.002 0.000 0.293 606 Y C 2.239 178.089 175.900 -0.083 0.000 1.123 606 Y CA 0.280 58.359 58.100 -0.035 0.000 1.227 606 Y CB -0.150 38.273 38.460 -0.061 0.000 1.012 606 Y HN 0.166 nan 8.280 nan 0.000 0.552 607 L N 0.718 121.941 121.223 -0.001 0.000 1.988 607 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 607 L C 2.291 179.016 176.870 -0.243 0.000 1.071 607 L CA 2.127 56.854 54.840 -0.188 0.000 0.744 607 L CB -1.199 40.631 42.059 -0.382 0.000 0.893 607 L HN 0.323 nan 8.230 nan 0.000 0.433 608 E N -0.294 119.789 120.200 -0.196 0.000 2.065 608 E HA -0.372 3.977 4.350 -0.000 0.000 0.201 608 E C 2.236 178.865 176.600 0.048 0.000 1.016 608 E CA 1.941 58.315 56.400 -0.043 0.000 0.818 608 E CB -0.190 29.656 29.700 0.243 0.000 0.749 608 E HN 0.370 nan 8.360 nan 0.000 0.453 609 K N 0.621 121.027 120.400 0.011 0.000 2.020 609 K HA -0.154 4.166 4.320 -0.000 0.000 0.212 609 K C 1.877 178.472 176.600 -0.009 0.000 1.050 609 K CA 1.938 58.210 56.287 -0.026 0.000 0.929 609 K CB -0.779 31.651 32.500 -0.117 0.000 0.714 609 K HN 0.260 nan 8.250 nan 0.000 0.443 610 A N 0.291 123.100 122.820 -0.017 0.000 1.930 610 A HA -0.063 4.256 4.320 -0.000 0.000 0.217 610 A C 2.275 179.869 177.584 0.018 0.000 1.175 610 A CA 1.431 53.468 52.037 0.000 0.000 0.627 610 A CB -0.619 18.382 19.000 0.002 0.000 0.815 610 A HN 0.331 nan 8.150 nan 0.000 0.443 611 L N -0.703 120.501 121.223 -0.032 0.000 2.127 611 L HA -0.194 4.145 4.340 -0.000 0.000 0.211 611 L C 2.457 179.565 176.870 0.396 0.000 1.089 611 L CA 1.041 55.918 54.840 0.061 0.000 0.757 611 L CB -0.362 41.428 42.059 -0.450 0.000 0.899 611 L HN 0.399 nan 8.230 nan 0.000 0.434 612 L N -1.152 120.247 121.223 0.293 0.000 2.131 612 L HA -0.149 4.190 4.340 -0.000 0.000 0.206 612 L C 2.153 179.114 176.870 0.151 0.000 1.087 612 L CA 0.742 55.731 54.840 0.247 0.000 0.767 612 L CB -0.510 41.568 42.059 0.031 0.000 0.917 612 L HN 0.237 nan 8.230 nan 0.000 0.441 613 D N 0.057 120.520 120.400 0.106 0.000 2.144 613 D HA -0.187 4.452 4.640 -0.000 0.000 0.199 613 D C 2.295 178.678 176.300 0.140 0.000 0.984 613 D CA 1.376 55.428 54.000 0.085 0.000 0.834 613 D CB -0.035 40.793 40.800 0.047 0.000 0.955 613 D HN 0.312 nan 8.370 nan 0.000 0.465 614 M N 0.135 119.844 119.600 0.182 0.000 2.159 614 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 614 M C 2.312 178.848 176.300 0.395 0.000 1.063 614 M CA 1.102 56.547 55.300 0.241 0.000 1.110 614 M CB -0.032 32.555 32.600 -0.020 0.000 1.374 614 M HN -0.086 nan 8.290 nan 0.000 0.411 615 R N 0.016 120.730 120.500 0.357 0.000 2.061 615 R HA -0.121 4.218 4.340 -0.000 0.000 0.230 615 R C 1.954 178.276 176.300 0.035 0.000 1.140 615 R CA 2.206 58.316 56.100 0.017 0.000 0.940 615 R CB -0.515 29.397 30.300 -0.647 0.000 0.839 615 R HN 0.216 nan 8.270 nan 0.000 0.429 616 T N 2.072 116.636 114.554 0.017 0.000 2.653 616 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 616 T C 1.746 176.502 174.700 0.094 0.000 1.035 616 T CA 1.617 63.734 62.100 0.028 0.000 1.154 616 T CB -0.358 68.525 68.868 0.025 0.000 0.862 616 T HN 0.192 nan 8.240 nan 0.000 0.441 617 L N 0.490 121.801 121.223 0.147 0.000 2.017 617 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 617 L C 2.161 179.173 176.870 0.237 0.000 1.073 617 L CA 1.606 56.563 54.840 0.194 0.000 0.745 617 L CB -0.488 41.692 42.059 0.201 0.000 0.894 617 L HN 0.243 nan 8.230 nan 0.000 0.432 618 L N -1.215 120.166 121.223 0.263 0.000 2.478 618 L HA -0.107 4.232 4.340 -0.000 0.000 0.223 618 L C 2.316 179.328 176.870 0.237 0.000 1.140 618 L CA 0.553 55.555 54.840 0.270 0.000 0.842 618 L CB -0.221 42.039 42.059 0.335 0.000 0.953 618 L HN 0.437 nan 8.230 nan 0.000 0.452 619 Q N -0.378 119.539 119.800 0.195 0.000 2.354 619 Q HA -0.046 4.294 4.340 -0.000 0.000 0.203 619 Q C 1.281 177.300 176.000 0.033 0.000 0.933 619 Q CA 0.755 56.630 55.803 0.120 0.000 0.901 619 Q CB 0.275 29.043 28.738 0.051 0.000 1.007 619 Q HN 0.619 nan 8.270 nan 0.000 0.495 620 N N -0.694 118.005 118.700 -0.002 0.000 2.336 620 N HA 0.002 4.742 4.740 -0.000 0.000 0.189 620 N C -0.574 174.634 175.510 -0.503 0.000 1.113 620 N CA 0.147 53.081 53.050 -0.194 0.000 0.858 620 N CB 0.571 38.950 38.487 -0.181 0.000 0.970 620 N HN 0.091 nan 8.380 nan 0.000 0.471 621 H N -0.327 118.777 119.070 0.056 0.000 2.596 621 H HA 0.220 4.776 4.556 -0.001 0.000 0.240 621 H C -2.215 173.139 175.328 0.043 0.000 1.406 621 H CA -1.090 54.986 56.048 0.047 0.000 1.504 621 H CB 1.101 30.893 29.762 0.050 0.000 1.688 621 H HN 0.113 nan 8.280 nan 0.000 0.546 622 P HA 0.240 nan 4.420 nan 0.000 0.323 622 P C 0.710 178.047 177.300 0.062 0.000 1.435 622 P CA 0.132 63.271 63.100 0.064 0.000 0.853 622 P CB 1.131 32.851 31.700 0.034 0.000 2.066 623 R N -2.228 118.293 120.500 0.035 0.000 2.468 623 R HA 0.465 4.804 4.340 -0.000 0.000 0.352 623 R C -0.752 175.560 176.300 0.020 0.000 0.858 623 R CA -0.079 56.038 56.100 0.029 0.000 1.108 623 R CB 0.793 31.102 30.300 0.016 0.000 1.741 623 R HN 0.249 nan 8.270 nan 0.000 0.504 624 A N 2.010 124.840 122.820 0.018 0.000 2.291 624 A HA 0.560 4.880 4.320 -0.000 0.000 0.311 624 A C -0.188 177.404 177.584 0.014 0.000 1.224 624 A CA -0.297 51.747 52.037 0.012 0.000 0.821 624 A CB 0.819 19.823 19.000 0.006 0.000 1.172 624 A HN 0.263 nan 8.150 nan 0.000 0.494 625 K N 0.000 120.408 120.400 0.014 0.000 2.780 625 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 625 K CA 0.000 56.295 56.287 0.014 0.000 0.838 625 K CB 0.000 32.505 32.500 0.009 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543