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 2xag_1_A DATA FIRST_RESID 171 DATA SEQUENCE PSGVEGAAFQ SRLPHDRMTS QEAACFPDII SGPQQTQKVF LFIRNRTLQL DATA SEQUENCE WLDNPKIQLT FEATLQQLEA PYNSDTVLVH RVHSYLERHG LINFGIYKRI DATA SEQUENCE KPLPTKKTGK VIIIGSGVSG LAAARQLQSF GMDVTLLEAR DRVGGRVATF DATA SEQUENCE RKGNYVADLG AMVVTGLGGN PMAVVSKQVN MELAKIKQKC PLYEANGQAV DATA SEQUENCE PKEKDEMVEQ EFNRLLEATS YLSHQLDFNV LNNKPVSLGQ ALEVVIQLQE DATA SEQUENCE KHVKDEQIEH WKKIVKTQEE LKELLNKMVN LKEKIKELHQ QYKEASEVKP DATA SEQUENCE PRDITAEFLV KSKHRDLTAL CKEYDELAET QGKLEEKLQE LEANPPSDVY DATA SEQUENCE LSSRDRQILD WHFANLEFAN ATPLSTLSLK HWDQDDDFEF TGSHLTVRNG DATA SEQUENCE YSCVPVALAE GLDIKLNTAV RQVRYTASGC EVIAVNTRST SQTFIYKCDA DATA SEQUENCE VLCTLPLGVL KQQPPAVQFV PPLPEWKTSA VQRMGFGNLN KVVLCFDRVF DATA SEQUENCE WDPSVNLFGH VGSTTASRGE LFLFWNLYKA PILLALVAGE AAGIMENISD DATA SEQUENCE DVIVGRCLAI LKGIFGSSAV PQPKETVVSR WRADPWARGS YSYVAAGSSG DATA SEQUENCE NDYDLMAQPI TPGPSIPGAP QPIPRLFFAG EHTIRNYPAT VHGALLSGLR DATA SEQUENCE EAGRIADQFL GAMYTL 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 171 P HA 0.000 nan 4.420 nan 0.000 0.216 171 P C 0.000 177.188 177.300 -0.186 0.000 1.155 171 P CA 0.000 62.915 63.100 -0.308 0.000 0.800 171 P CB 0.000 31.491 31.700 -0.348 0.000 0.726 172 S N -0.926 114.704 115.700 -0.116 0.000 2.656 172 S HA 0.844 5.313 4.470 -0.000 0.000 0.273 172 S C 0.070 174.644 174.600 -0.043 0.000 1.168 172 S CA 0.986 59.154 58.200 -0.054 0.000 0.817 172 S CB 1.275 64.454 63.200 -0.036 0.000 1.146 172 S HN 1.793 nan 8.310 nan 0.000 0.475 173 G N 0.235 109.023 108.800 -0.020 0.000 2.475 173 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.223 173 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.223 173 G C 0.839 175.734 174.900 -0.009 0.000 1.201 173 G CA 0.562 45.657 45.100 -0.009 0.000 0.962 173 G HN 2.082 nan 8.290 nan 0.000 0.586 174 V N -1.395 118.516 119.914 -0.004 0.000 2.667 174 V HA 0.187 4.307 4.120 -0.000 0.000 0.252 174 V C 2.077 178.160 176.094 -0.017 0.000 1.065 174 V CA 2.921 65.200 62.300 -0.034 0.000 1.083 174 V CB -0.487 31.300 31.823 -0.061 0.000 0.692 174 V HN 0.716 nan 8.190 nan 0.000 0.468 175 E N 1.224 121.412 120.200 -0.020 0.000 2.299 175 E HA 0.116 4.466 4.350 -0.000 0.000 0.193 175 E C 2.246 178.848 176.600 0.003 0.000 0.998 175 E CA 0.755 57.129 56.400 -0.043 0.000 0.851 175 E CB -0.353 29.169 29.700 -0.297 0.000 0.795 175 E HN 0.708 nan 8.360 nan 0.000 0.492 176 G N 1.674 110.476 108.800 0.004 0.000 2.446 176 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 176 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 176 G C 1.699 176.688 174.900 0.149 0.000 1.168 176 G CA 0.904 46.043 45.100 0.065 0.000 0.771 176 G HN 0.351 nan 8.290 nan 0.000 0.551 177 A N 1.356 124.224 122.820 0.082 0.000 1.865 177 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 177 A C 2.875 180.520 177.584 0.102 0.000 1.191 177 A CA 2.726 54.809 52.037 0.076 0.000 0.623 177 A CB -1.062 17.958 19.000 0.033 0.000 0.826 177 A HN 0.950 nan 8.150 nan 0.000 0.444 178 A N -1.103 121.784 122.820 0.112 0.000 1.908 178 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 178 A C 2.080 179.767 177.584 0.171 0.000 1.181 178 A CA 1.832 53.949 52.037 0.133 0.000 0.627 178 A CB -0.795 18.302 19.000 0.162 0.000 0.818 178 A HN 0.862 nan 8.150 nan 0.000 0.445 179 F N 0.721 120.717 119.950 0.077 0.000 2.051 179 F HA -0.205 4.322 4.527 -0.000 0.000 0.296 179 F C 2.168 178.009 175.800 0.068 0.000 1.122 179 F CA 2.317 60.368 58.000 0.084 0.000 1.201 179 F CB -0.561 38.474 39.000 0.058 0.000 0.978 179 F HN 0.300 nan 8.300 nan 0.000 0.472 180 Q N 0.587 120.333 119.800 -0.090 0.000 2.561 180 Q HA -0.041 4.299 4.340 -0.000 0.000 0.217 180 Q C 0.522 176.424 176.000 -0.164 0.000 0.980 180 Q CA 1.200 56.877 55.803 -0.210 0.000 0.927 180 Q CB -0.571 28.185 28.738 0.030 0.000 0.980 180 Q HN 0.347 nan 8.270 nan 0.000 0.525 181 S N -0.151 115.489 115.700 -0.100 0.000 2.809 181 S HA 0.285 4.755 4.470 -0.000 0.000 0.248 181 S C -0.579 173.996 174.600 -0.042 0.000 1.071 181 S CA -0.447 57.727 58.200 -0.043 0.000 1.059 181 S CB 0.222 63.445 63.200 0.038 0.000 0.923 181 S HN 0.480 nan 8.310 nan 0.000 0.516 182 R N 0.797 121.245 120.500 -0.086 0.000 3.484 182 R HA -0.184 4.156 4.340 -0.000 0.000 0.260 182 R C -0.743 175.621 176.300 0.106 0.000 1.053 182 R CA 0.673 56.796 56.100 0.039 0.000 0.703 182 R CB -1.941 28.432 30.300 0.122 0.000 1.089 182 R HN 0.401 nan 8.270 nan 0.000 0.459 183 L N 0.275 121.559 121.223 0.102 0.000 2.354 183 L HA 0.587 4.927 4.340 -0.000 0.000 0.269 183 L C -2.037 174.934 176.870 0.169 0.000 1.005 183 L CA -2.596 52.325 54.840 0.134 0.000 0.819 183 L CB 1.970 44.098 42.059 0.115 0.000 1.311 183 L HN -0.196 nan 8.230 nan 0.000 0.423 184 P HA 0.108 nan 4.420 nan 0.000 0.276 184 P C -0.383 176.968 177.300 0.085 0.000 1.243 184 P CA -0.154 63.022 63.100 0.126 0.000 0.768 184 P CB 0.596 32.339 31.700 0.071 0.000 0.856 185 H N 1.162 120.285 119.070 0.089 0.000 2.502 185 H HA 0.016 4.572 4.556 -0.000 0.000 0.283 185 H C 0.430 175.785 175.328 0.045 0.000 1.015 185 H CA 0.884 56.968 56.048 0.059 0.000 1.298 185 H CB -0.235 29.566 29.762 0.065 0.000 1.411 185 H HN 0.285 nan 8.280 nan 0.000 0.556 186 D N -0.143 119.922 120.400 -0.558 0.000 2.788 186 D HA 0.251 4.891 4.640 -0.000 0.000 0.289 186 D C -0.129 176.082 176.300 -0.149 0.000 1.340 186 D CA -0.412 53.374 54.000 -0.357 0.000 0.831 186 D CB 0.457 40.940 40.800 -0.529 0.000 1.103 186 D HN 0.283 nan 8.370 nan 0.000 0.476 187 R N -0.179 120.281 120.500 -0.066 0.000 2.634 187 R HA 0.387 4.727 4.340 -0.000 0.000 0.263 187 R C -1.156 175.185 176.300 0.067 0.000 1.060 187 R CA -0.602 55.501 56.100 0.004 0.000 0.898 187 R CB 2.066 32.363 30.300 -0.006 0.000 1.253 187 R HN -0.013 nan 8.270 nan 0.000 0.461 188 M N 2.352 122.014 119.600 0.104 0.000 2.233 188 M HA 0.238 4.718 4.480 -0.000 0.000 0.355 188 M C 0.638 177.005 176.300 0.113 0.000 1.191 188 M CA -0.432 54.965 55.300 0.160 0.000 1.101 188 M CB 1.658 34.338 32.600 0.134 0.000 1.592 188 M HN 0.706 nan 8.290 nan 0.000 0.461 189 T N -1.097 113.541 114.554 0.139 0.000 2.726 189 T HA 0.110 4.460 4.350 -0.000 0.000 0.294 189 T C 1.164 175.924 174.700 0.099 0.000 1.013 189 T CA -0.524 61.650 62.100 0.123 0.000 0.996 189 T CB 1.073 70.036 68.868 0.158 0.000 1.016 189 T HN 0.671 nan 8.240 nan 0.000 0.529 190 S N -0.254 115.497 115.700 0.085 0.000 2.383 190 S HA -0.199 4.271 4.470 -0.000 0.000 0.229 190 S C 2.090 176.735 174.600 0.076 0.000 1.030 190 S CA 1.855 60.093 58.200 0.064 0.000 1.002 190 S CB -0.714 62.516 63.200 0.050 0.000 0.829 190 S HN 0.892 nan 8.310 nan 0.000 0.467 191 Q N 0.131 119.999 119.800 0.112 0.000 2.311 191 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 191 Q C 1.701 177.831 176.000 0.216 0.000 0.954 191 Q CA 1.372 57.265 55.803 0.151 0.000 0.885 191 Q CB -0.154 28.675 28.738 0.152 0.000 0.963 191 Q HN 0.603 nan 8.270 nan 0.000 0.471 192 E N 0.487 120.791 120.200 0.173 0.000 2.051 192 E HA -0.064 4.286 4.350 -0.000 0.000 0.189 192 E C 2.040 178.692 176.600 0.087 0.000 0.979 192 E CA 0.801 57.260 56.400 0.099 0.000 0.803 192 E CB -0.202 29.538 29.700 0.065 0.000 0.761 192 E HN 0.510 nan 8.360 nan 0.000 0.451 193 A N 1.300 124.143 122.820 0.038 0.000 2.054 193 A HA -0.258 4.062 4.320 -0.000 0.000 0.223 193 A C 2.248 179.841 177.584 0.015 0.000 1.169 193 A CA 2.015 54.059 52.037 0.011 0.000 0.655 193 A CB -0.581 18.426 19.000 0.011 0.000 0.812 193 A HN 0.315 nan 8.150 nan 0.000 0.462 194 A N -1.937 120.904 122.820 0.035 0.000 1.956 194 A HA 0.058 4.378 4.320 -0.000 0.000 0.212 194 A C 2.125 179.684 177.584 -0.042 0.000 1.188 194 A CA 1.148 53.187 52.037 0.004 0.000 0.675 194 A CB -0.841 18.172 19.000 0.021 0.000 0.845 194 A HN 0.578 nan 8.150 nan 0.000 0.455 195 C N -1.801 117.489 119.300 -0.017 0.000 2.448 195 C HA 0.146 4.606 4.460 -0.000 0.000 0.280 195 C C 0.693 175.315 174.990 -0.612 0.000 1.398 195 C CA 0.412 59.279 59.018 -0.253 0.000 1.774 195 C CB -1.472 26.211 27.740 -0.095 0.000 1.888 195 C HN 0.525 nan 8.230 nan 0.000 0.519 196 F N 0.010 119.858 119.950 -0.169 0.000 2.556 196 F HA 0.248 4.775 4.527 -0.000 0.000 0.384 196 F C -1.334 174.343 175.800 -0.204 0.000 1.493 196 F CA -1.316 56.544 58.000 -0.234 0.000 1.119 196 F CB 0.100 38.818 39.000 -0.470 0.000 1.280 196 F HN 0.015 nan 8.300 nan 0.000 0.525 197 P HA -0.196 nan 4.420 nan 0.000 0.219 197 P C 1.103 178.388 177.300 -0.026 0.000 1.146 197 P CA 1.677 64.758 63.100 -0.031 0.000 0.808 197 P CB 0.182 31.855 31.700 -0.045 0.000 0.779 198 D N 0.504 120.893 120.400 -0.019 0.000 2.097 198 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 198 D C 2.151 178.447 176.300 -0.007 0.000 0.989 198 D CA 0.947 54.942 54.000 -0.008 0.000 0.827 198 D CB -1.016 39.785 40.800 0.002 0.000 0.966 198 D HN 0.221 nan 8.370 nan 0.000 0.456 199 I N 0.890 121.452 120.570 -0.013 0.000 2.113 199 I HA -0.200 3.970 4.170 -0.000 0.000 0.238 199 I C 2.840 178.916 176.117 -0.068 0.000 1.070 199 I CA 0.861 62.126 61.300 -0.059 0.000 1.332 199 I CB -0.174 37.721 38.000 -0.175 0.000 1.044 199 I HN -0.066 nan 8.210 nan 0.000 0.402 200 I N 0.459 120.973 120.570 -0.093 0.000 2.756 200 I HA -0.233 3.937 4.170 -0.000 0.000 0.262 200 I C 2.352 178.452 176.117 -0.029 0.000 1.225 200 I CA 1.375 62.636 61.300 -0.065 0.000 1.472 200 I CB 0.021 37.979 38.000 -0.071 0.000 1.094 200 I HN 0.336 nan 8.210 nan 0.000 0.454 201 S N -0.741 114.945 115.700 -0.024 0.000 2.524 201 S HA 0.157 4.627 4.470 -0.000 0.000 0.216 201 S C 1.187 175.783 174.600 -0.007 0.000 0.987 201 S CA 0.091 58.283 58.200 -0.013 0.000 0.909 201 S CB -0.203 62.989 63.200 -0.014 0.000 0.781 201 S HN 0.365 nan 8.310 nan 0.000 0.521 202 G N 2.179 110.975 108.800 -0.007 0.000 2.582 202 G HA2 0.555 4.515 3.960 -0.000 0.000 0.232 202 G HA3 0.555 4.515 3.960 -0.000 0.000 0.232 202 G C -2.841 172.064 174.900 0.009 0.000 1.458 202 G CA -1.451 43.651 45.100 0.003 0.000 1.062 202 G HN 0.373 nan 8.290 nan 0.000 0.566 203 P HA 0.223 nan 4.420 nan 0.000 0.285 203 P C 0.336 177.654 177.300 0.030 0.000 1.259 203 P CA -0.412 62.701 63.100 0.021 0.000 0.794 203 P CB 1.468 33.181 31.700 0.023 0.000 0.940 204 Q N 1.061 120.878 119.800 0.028 0.000 2.344 204 Q HA -0.242 4.098 4.340 -0.000 0.000 0.212 204 Q C 1.501 177.531 176.000 0.049 0.000 0.991 204 Q CA 1.512 57.337 55.803 0.036 0.000 0.897 204 Q CB -0.301 28.455 28.738 0.029 0.000 0.915 204 Q HN 0.554 nan 8.270 nan 0.000 0.438 205 Q N -0.076 119.752 119.800 0.047 0.000 2.033 205 Q HA -0.055 4.285 4.340 -0.000 0.000 0.196 205 Q C 1.976 178.025 176.000 0.082 0.000 0.970 205 Q CA 1.715 57.552 55.803 0.056 0.000 0.828 205 Q CB -0.086 28.676 28.738 0.040 0.000 0.895 205 Q HN 0.498 nan 8.270 nan 0.000 0.440 206 T N 1.060 115.660 114.554 0.078 0.000 2.777 206 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 206 T C 1.851 176.634 174.700 0.139 0.000 1.040 206 T CA 1.271 63.434 62.100 0.105 0.000 1.141 206 T CB -0.204 68.713 68.868 0.081 0.000 0.868 206 T HN 0.333 nan 8.240 nan 0.000 0.444 207 Q N 1.152 121.017 119.800 0.108 0.000 2.118 207 Q HA -0.201 4.139 4.340 -0.000 0.000 0.211 207 Q C 2.396 178.513 176.000 0.195 0.000 0.998 207 Q CA 1.577 57.463 55.803 0.138 0.000 0.872 207 Q CB -0.286 28.504 28.738 0.086 0.000 0.925 207 Q HN 0.537 nan 8.270 nan 0.000 0.414 208 K N 0.003 120.495 120.400 0.152 0.000 2.147 208 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 208 K C 2.128 178.853 176.600 0.209 0.000 1.049 208 K CA 1.359 57.740 56.287 0.156 0.000 0.936 208 K CB -0.057 32.521 32.500 0.131 0.000 0.722 208 K HN 0.090 nan 8.250 nan 0.000 0.446 209 V N 1.349 121.417 119.914 0.256 0.000 2.307 209 V HA -0.245 3.874 4.120 -0.000 0.000 0.245 209 V C 2.054 178.305 176.094 0.262 0.000 1.045 209 V CA 1.687 64.198 62.300 0.351 0.000 1.024 209 V CB -0.710 31.312 31.823 0.332 0.000 0.651 209 V HN 0.198 nan 8.190 nan 0.000 0.449 210 F N 0.895 120.884 119.950 0.066 0.000 2.043 210 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 210 F C 2.132 177.893 175.800 -0.064 0.000 1.121 210 F CA 1.799 59.767 58.000 -0.054 0.000 1.199 210 F CB -0.604 38.295 39.000 -0.168 0.000 0.968 210 F HN 0.006 nan 8.300 nan 0.000 0.478 211 L N -0.877 120.201 121.223 -0.242 0.000 2.013 211 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 211 L C 2.536 179.264 176.870 -0.237 0.000 1.073 211 L CA 1.927 56.582 54.840 -0.308 0.000 0.753 211 L CB -0.870 41.175 42.059 -0.024 0.000 0.890 211 L HN 0.326 nan 8.230 nan 0.000 0.432 212 F N 0.528 120.333 119.950 -0.242 0.000 2.146 212 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 212 F C 2.233 177.847 175.800 -0.310 0.000 1.096 212 F CA 1.423 59.236 58.000 -0.313 0.000 1.275 212 F CB -0.154 38.513 39.000 -0.556 0.000 1.008 212 F HN -0.100 nan 8.300 nan 0.000 0.480 213 I N 0.255 120.652 120.570 -0.290 0.000 2.163 213 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 213 I C 2.757 178.665 176.117 -0.350 0.000 1.085 213 I CA 1.496 62.630 61.300 -0.276 0.000 1.347 213 I CB -0.691 37.285 38.000 -0.040 0.000 1.044 213 I HN 0.099 nan 8.210 nan 0.000 0.408 214 R N 1.330 121.571 120.500 -0.432 0.000 2.094 214 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 214 R C 2.016 178.156 176.300 -0.268 0.000 1.137 214 R CA 2.339 58.211 56.100 -0.380 0.000 0.943 214 R CB -0.579 29.345 30.300 -0.628 0.000 0.850 214 R HN 0.388 nan 8.270 nan 0.000 0.433 215 N N 0.476 118.986 118.700 -0.316 0.000 2.188 215 N HA -0.169 4.571 4.740 -0.000 0.000 0.184 215 N C 1.862 177.208 175.510 -0.273 0.000 1.018 215 N CA 1.164 54.076 53.050 -0.230 0.000 0.858 215 N CB -0.417 37.951 38.487 -0.198 0.000 0.989 215 N HN 0.179 nan 8.380 nan 0.000 0.426 216 R N 0.768 120.975 120.500 -0.489 0.000 2.073 216 R HA 0.062 4.402 4.340 -0.000 0.000 0.229 216 R C 1.816 177.990 176.300 -0.211 0.000 1.120 216 R CA 1.576 57.396 56.100 -0.467 0.000 0.967 216 R CB -0.901 28.892 30.300 -0.845 0.000 0.862 216 R HN 0.135 nan 8.270 nan 0.000 0.436 217 T N 1.143 115.599 114.554 -0.164 0.000 2.746 217 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 217 T C 1.784 176.504 174.700 0.034 0.000 1.039 217 T CA 1.485 63.568 62.100 -0.028 0.000 1.142 217 T CB -0.224 68.645 68.868 0.003 0.000 0.866 217 T HN 0.118 nan 8.240 nan 0.000 0.444 218 L N 0.766 121.995 121.223 0.011 0.000 1.989 218 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 218 L C 2.989 179.927 176.870 0.114 0.000 1.071 218 L CA 1.619 56.520 54.840 0.102 0.000 0.749 218 L CB -0.607 41.488 42.059 0.061 0.000 0.890 218 L HN 0.299 nan 8.230 nan 0.000 0.431 219 Q N 0.238 120.049 119.800 0.019 0.000 2.077 219 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 219 Q C 2.387 178.391 176.000 0.008 0.000 0.989 219 Q CA 1.908 57.709 55.803 -0.004 0.000 0.853 219 Q CB -0.208 28.502 28.738 -0.047 0.000 0.907 219 Q HN 0.477 nan 8.270 nan 0.000 0.418 220 L N -0.030 121.208 121.223 0.024 0.000 2.013 220 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 220 L C 2.420 179.347 176.870 0.094 0.000 1.073 220 L CA 1.811 56.679 54.840 0.046 0.000 0.753 220 L CB -0.747 41.345 42.059 0.055 0.000 0.890 220 L HN 0.624 nan 8.230 nan 0.000 0.432 221 W N 0.666 121.944 121.300 -0.036 0.000 2.355 221 W HA -0.240 4.419 4.660 -0.000 0.000 0.309 221 W C 2.145 178.637 176.519 -0.044 0.000 1.206 221 W CA 1.296 58.615 57.345 -0.043 0.000 1.284 221 W CB -0.256 29.180 29.460 -0.039 0.000 1.145 221 W HN 0.109 nan 8.180 nan 0.000 0.502 222 L N 0.794 121.869 121.223 -0.247 0.000 2.083 222 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 222 L C 2.087 178.761 176.870 -0.327 0.000 1.083 222 L CA 1.572 56.183 54.840 -0.382 0.000 0.752 222 L CB -0.941 41.045 42.059 -0.122 0.000 0.899 222 L HN -0.115 nan 8.230 nan 0.000 0.433 223 D N -0.216 120.066 120.400 -0.196 0.000 2.378 223 D HA -0.101 4.539 4.640 -0.000 0.000 0.222 223 D C 0.504 176.701 176.300 -0.172 0.000 0.980 223 D CA 0.828 54.741 54.000 -0.146 0.000 0.907 223 D CB 0.010 40.762 40.800 -0.079 0.000 0.899 223 D HN 0.193 nan 8.370 nan 0.000 0.527 224 N N -0.445 118.099 118.700 -0.260 0.000 2.658 224 N HA 0.038 4.778 4.740 -0.000 0.000 0.238 224 N C -2.626 172.654 175.510 -0.384 0.000 1.495 224 N CA -0.759 52.152 53.050 -0.232 0.000 0.883 224 N CB 0.791 39.211 38.487 -0.112 0.000 1.463 224 N HN -0.157 nan 8.380 nan 0.000 0.531 225 P HA 0.189 nan 4.420 nan 0.000 0.253 225 P C 0.517 177.544 177.300 -0.454 0.000 1.459 225 P CA 0.170 62.586 63.100 -1.141 0.000 0.908 225 P CB 0.236 31.018 31.700 -1.530 0.000 1.470 226 K N 0.364 120.641 120.400 -0.205 0.000 2.393 226 K HA 0.184 4.504 4.320 -0.000 0.000 0.193 226 K C 0.984 177.626 176.600 0.071 0.000 1.026 226 K CA 0.256 56.515 56.287 -0.047 0.000 1.064 226 K CB 0.271 32.735 32.500 -0.059 0.000 0.833 226 K HN 0.362 nan 8.250 nan 0.000 0.521 227 I N -2.197 118.432 120.570 0.099 0.000 2.722 227 I HA 0.258 4.428 4.170 -0.000 0.000 0.295 227 I C -0.594 175.622 176.117 0.166 0.000 1.161 227 I CA -1.181 60.206 61.300 0.144 0.000 1.032 227 I CB 1.864 39.908 38.000 0.074 0.000 1.244 227 I HN -0.177 nan 8.210 nan 0.000 0.421 228 Q N 3.247 123.089 119.800 0.070 0.000 2.326 228 Q HA 0.118 4.458 4.340 -0.000 0.000 0.314 228 Q C -1.361 174.642 176.000 0.006 0.000 1.091 228 Q CA 0.147 55.868 55.803 -0.136 0.000 0.974 228 Q CB 0.906 29.553 28.738 -0.152 0.000 1.220 228 Q HN 0.697 nan 8.270 nan 0.000 0.398 229 L N 4.466 125.689 121.223 0.001 0.000 2.294 229 L HA 0.411 4.751 4.340 -0.000 0.000 0.283 229 L C -0.477 176.524 176.870 0.218 0.000 1.015 229 L CA -0.118 54.794 54.840 0.121 0.000 0.831 229 L CB 1.537 43.720 42.059 0.207 0.000 1.217 229 L HN 0.787 nan 8.230 nan 0.000 0.420 230 T N 0.896 115.528 114.554 0.130 0.000 2.902 230 T HA 0.231 4.581 4.350 -0.000 0.000 0.280 230 T C 0.904 175.461 174.700 -0.239 0.000 0.992 230 T CA -0.369 61.749 62.100 0.031 0.000 1.015 230 T CB 0.734 69.606 68.868 0.006 0.000 1.044 230 T HN 0.473 nan 8.240 nan 0.000 0.520 231 F N 1.407 120.917 119.950 -0.732 0.000 2.171 231 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 231 F C 1.907 177.586 175.800 -0.202 0.000 1.090 231 F CA 1.516 59.134 58.000 -0.636 0.000 1.293 231 F CB -0.686 38.105 39.000 -0.347 0.000 1.013 231 F HN 0.701 nan 8.300 nan 0.000 0.486 232 E N 0.957 121.008 120.200 -0.248 0.000 2.007 232 E HA -0.231 4.119 4.350 -0.000 0.000 0.203 232 E C 2.423 178.890 176.600 -0.223 0.000 1.020 232 E CA 1.991 58.247 56.400 -0.240 0.000 0.845 232 E CB -1.229 28.421 29.700 -0.082 0.000 0.779 232 E HN 0.383 nan 8.360 nan 0.000 0.466 233 A N 0.124 122.873 122.820 -0.119 0.000 2.024 233 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 233 A C 2.319 179.862 177.584 -0.068 0.000 1.164 233 A CA 2.232 54.229 52.037 -0.067 0.000 0.643 233 A CB -0.981 18.011 19.000 -0.015 0.000 0.806 233 A HN 0.319 nan 8.150 nan 0.000 0.451 234 T N -0.166 114.330 114.554 -0.097 0.000 2.732 234 T HA -0.072 4.278 4.350 -0.000 0.000 0.261 234 T C 1.822 176.465 174.700 -0.095 0.000 1.040 234 T CA 1.272 63.345 62.100 -0.046 0.000 1.145 234 T CB -0.378 68.518 68.868 0.048 0.000 0.866 234 T HN 0.258 nan 8.240 nan 0.000 0.427 235 L N 1.702 122.776 121.223 -0.249 0.000 1.971 235 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 235 L C 2.601 179.402 176.870 -0.114 0.000 1.072 235 L CA 2.010 56.715 54.840 -0.224 0.000 0.758 235 L CB -1.364 40.428 42.059 -0.445 0.000 0.889 235 L HN 0.231 nan 8.230 nan 0.000 0.433 236 Q N -0.049 119.674 119.800 -0.129 0.000 2.066 236 Q HA -0.336 4.004 4.340 -0.000 0.000 0.216 236 Q C 2.087 178.073 176.000 -0.024 0.000 1.035 236 Q CA 2.767 58.530 55.803 -0.067 0.000 0.897 236 Q CB -0.538 28.161 28.738 -0.064 0.000 1.010 236 Q HN 0.682 nan 8.270 nan 0.000 0.416 237 Q N -0.875 118.916 119.800 -0.014 0.000 2.320 237 Q HA 0.295 4.635 4.340 -0.000 0.000 0.201 237 Q C -0.423 175.604 176.000 0.046 0.000 0.910 237 Q CA -0.400 55.412 55.803 0.015 0.000 0.946 237 Q CB 0.382 29.127 28.738 0.011 0.000 1.062 237 Q HN 0.292 nan 8.270 nan 0.000 0.503 238 L N 0.766 122.024 121.223 0.058 0.000 2.454 238 L HA 0.178 4.518 4.340 -0.000 0.000 0.256 238 L C 0.241 177.205 176.870 0.157 0.000 1.136 238 L CA -0.159 54.761 54.840 0.132 0.000 0.804 238 L CB 0.823 42.968 42.059 0.143 0.000 1.181 238 L HN 0.033 nan 8.230 nan 0.000 0.469 239 E N 0.622 120.973 120.200 0.252 0.000 2.244 239 E HA 0.510 4.860 4.350 -0.000 0.000 0.266 239 E C -0.749 175.963 176.600 0.187 0.000 0.914 239 E CA -0.887 55.631 56.400 0.196 0.000 0.794 239 E CB 1.767 31.581 29.700 0.189 0.000 1.210 239 E HN 0.578 nan 8.360 nan 0.000 0.414 240 A N 2.613 125.477 122.820 0.072 0.000 2.483 240 A HA 0.238 4.558 4.320 -0.000 0.000 0.238 240 A C -1.265 176.241 177.584 -0.130 0.000 1.070 240 A CA -0.694 51.333 52.037 -0.016 0.000 0.770 240 A CB -0.247 18.737 19.000 -0.027 0.000 1.008 240 A HN 0.415 nan 8.150 nan 0.000 0.497 241 P HA -0.075 nan 4.420 nan 0.000 0.233 241 P C 0.455 177.616 177.300 -0.232 0.000 1.167 241 P CA 1.156 64.058 63.100 -0.331 0.000 0.770 241 P CB -0.037 31.390 31.700 -0.454 0.000 0.837 242 Y N 2.138 122.470 120.300 0.054 0.000 2.220 242 Y HA -0.104 4.446 4.550 -0.000 0.000 0.291 242 Y C 1.994 177.970 175.900 0.126 0.000 1.129 242 Y CA 1.344 59.518 58.100 0.122 0.000 1.161 242 Y CB -1.578 37.025 38.460 0.239 0.000 0.997 242 Y HN 0.110 nan 8.280 nan 0.000 0.522 243 N N 0.293 119.134 118.700 0.236 0.000 2.413 243 N HA -0.049 4.691 4.740 -0.000 0.000 0.207 243 N C 1.022 176.594 175.510 0.103 0.000 1.206 243 N CA 0.672 53.816 53.050 0.156 0.000 0.832 243 N CB -0.673 37.882 38.487 0.113 0.000 1.037 243 N HN 0.355 nan 8.380 nan 0.000 0.467 244 S N -0.375 115.380 115.700 0.091 0.000 2.317 244 S HA -0.117 4.353 4.470 -0.000 0.000 0.212 244 S C 0.694 175.349 174.600 0.091 0.000 1.030 244 S CA 0.368 58.607 58.200 0.065 0.000 0.970 244 S CB -0.817 62.401 63.200 0.029 0.000 0.928 244 S HN 0.230 nan 8.310 nan 0.000 0.451 245 D N 2.374 122.842 120.400 0.112 0.000 2.357 245 D HA 0.163 4.803 4.640 -0.000 0.000 0.265 245 D C 1.202 177.609 176.300 0.179 0.000 1.334 245 D CA 0.604 54.683 54.000 0.132 0.000 0.984 245 D CB 0.886 41.768 40.800 0.136 0.000 1.077 245 D HN 0.550 nan 8.370 nan 0.000 0.514 246 T N -0.215 114.445 114.554 0.178 0.000 3.081 246 T HA -0.043 4.307 4.350 -0.000 0.000 0.255 246 T C 1.821 176.700 174.700 0.298 0.000 1.113 246 T CA 0.609 62.868 62.100 0.265 0.000 1.082 246 T CB -0.116 68.897 68.868 0.240 0.000 0.939 246 T HN 0.136 nan 8.240 nan 0.000 0.506 247 V N 1.222 121.254 119.914 0.198 0.000 2.343 247 V HA -0.050 4.070 4.120 -0.000 0.000 0.247 247 V C 2.514 178.746 176.094 0.229 0.000 1.051 247 V CA 1.385 63.786 62.300 0.168 0.000 1.036 247 V CB -1.130 30.763 31.823 0.117 0.000 0.654 247 V HN 0.388 nan 8.190 nan 0.000 0.451 248 L N 0.262 121.631 121.223 0.243 0.000 1.973 248 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 248 L C 2.445 179.515 176.870 0.334 0.000 1.073 248 L CA 1.750 56.762 54.840 0.285 0.000 0.746 248 L CB -0.614 41.598 42.059 0.255 0.000 0.891 248 L HN 0.093 nan 8.230 nan 0.000 0.433 249 V N -0.291 119.833 119.914 0.351 0.000 2.527 249 V HA -0.375 3.745 4.120 -0.000 0.000 0.255 249 V C 2.487 178.888 176.094 0.512 0.000 1.081 249 V CA 2.117 64.663 62.300 0.411 0.000 1.092 249 V CB -1.017 31.048 31.823 0.404 0.000 0.673 249 V HN 0.670 nan 8.190 nan 0.000 0.470 250 H N 0.477 119.718 119.070 0.286 0.000 2.284 250 H HA -0.073 4.482 4.556 -0.000 0.000 0.304 250 H C 2.473 177.801 175.328 -0.001 0.000 1.069 250 H CA 2.027 57.915 56.048 -0.267 0.000 1.327 250 H CB -0.106 29.277 29.762 -0.631 0.000 1.387 250 H HN 0.269 nan 8.280 nan 0.000 0.498 251 R N -0.417 120.186 120.500 0.172 0.000 2.134 251 R HA -0.182 4.158 4.340 -0.000 0.000 0.248 251 R C 2.397 178.945 176.300 0.414 0.000 1.143 251 R CA 1.878 58.145 56.100 0.278 0.000 0.957 251 R CB -0.759 29.796 30.300 0.425 0.000 0.867 251 R HN 0.210 nan 8.270 nan 0.000 0.441 252 V N 0.249 120.432 119.914 0.448 0.000 2.244 252 V HA -0.283 3.837 4.120 -0.000 0.000 0.244 252 V C 2.452 178.701 176.094 0.258 0.000 1.042 252 V CA 2.047 64.591 62.300 0.408 0.000 1.006 252 V CB -0.842 31.116 31.823 0.226 0.000 0.641 252 V HN 0.472 nan 8.190 nan 0.000 0.446 253 H N 0.257 119.384 119.070 0.096 0.000 2.390 253 H HA -0.163 4.393 4.556 -0.000 0.000 0.298 253 H C 2.409 177.654 175.328 -0.139 0.000 1.106 253 H CA 2.144 58.200 56.048 0.013 0.000 1.297 253 H CB 0.005 29.835 29.762 0.113 0.000 1.375 253 H HN 0.424 nan 8.280 nan 0.000 0.509 254 S N 0.036 115.655 115.700 -0.135 0.000 2.348 254 S HA -0.191 4.279 4.470 -0.000 0.000 0.221 254 S C 1.959 176.164 174.600 -0.657 0.000 1.033 254 S CA 1.289 59.262 58.200 -0.379 0.000 1.010 254 S CB -0.808 62.154 63.200 -0.398 0.000 0.891 254 S HN 0.636 nan 8.310 nan 0.000 0.442 255 Y N 2.448 122.316 120.300 -0.720 0.000 2.102 255 Y HA -0.200 4.350 4.550 -0.000 0.000 0.280 255 Y C 1.854 177.501 175.900 -0.422 0.000 1.178 255 Y CA 1.581 59.262 58.100 -0.698 0.000 1.146 255 Y CB -0.543 37.962 38.460 0.075 0.000 0.968 255 Y HN 0.153 nan 8.280 nan 0.000 0.504 256 L N 0.131 121.161 121.223 -0.322 0.000 2.201 256 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 256 L C 2.555 179.150 176.870 -0.459 0.000 1.105 256 L CA 1.706 56.302 54.840 -0.407 0.000 0.775 256 L CB -0.571 41.362 42.059 -0.210 0.000 0.913 256 L HN 0.365 nan 8.230 nan 0.000 0.440 257 E N 0.300 120.197 120.200 -0.504 0.000 2.072 257 E HA -0.238 4.112 4.350 -0.000 0.000 0.190 257 E C 2.290 178.760 176.600 -0.217 0.000 0.982 257 E CA 0.624 56.788 56.400 -0.393 0.000 0.803 257 E CB 0.201 29.659 29.700 -0.404 0.000 0.755 257 E HN 0.145 nan 8.360 nan 0.000 0.453 258 R N 0.462 120.671 120.500 -0.484 0.000 2.062 258 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 258 R C 1.258 177.404 176.300 -0.256 0.000 1.136 258 R CA 2.113 57.872 56.100 -0.569 0.000 0.948 258 R CB -0.809 28.912 30.300 -0.965 0.000 0.845 258 R HN 0.352 nan 8.270 nan 0.000 0.430 259 H N -1.246 117.655 119.070 -0.281 0.000 2.547 259 H HA 0.270 4.826 4.556 -0.000 0.000 0.274 259 H C 0.715 175.919 175.328 -0.206 0.000 1.024 259 H CA 0.207 56.116 56.048 -0.231 0.000 1.155 259 H CB 0.320 29.864 29.762 -0.362 0.000 1.344 259 H HN 0.581 nan 8.280 nan 0.000 0.598 260 G N 0.720 109.470 108.800 -0.083 0.000 2.159 260 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.256 260 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.256 260 G C 0.964 175.751 174.900 -0.189 0.000 0.977 260 G CA 0.434 45.473 45.100 -0.102 0.000 0.652 260 G HN 0.414 nan 8.290 nan 0.000 0.531 261 L N -0.117 120.987 121.223 -0.198 0.000 2.156 261 L HA 0.281 4.621 4.340 -0.000 0.000 0.208 261 L C 1.742 178.536 176.870 -0.127 0.000 1.095 261 L CA 1.518 56.275 54.840 -0.139 0.000 0.770 261 L CB -0.224 41.760 42.059 -0.125 0.000 0.914 261 L HN 0.651 nan 8.230 nan 0.000 0.439 262 I N -5.090 115.236 120.570 -0.406 0.000 2.846 262 I HA 0.413 4.583 4.170 -0.000 0.000 0.307 262 I C -0.636 174.831 176.117 -1.083 0.000 1.053 262 I CA -0.987 59.670 61.300 -1.072 0.000 1.050 262 I CB 1.558 39.111 38.000 -0.746 0.000 1.239 262 I HN -0.031 nan 8.210 nan 0.000 0.439 263 N N 2.861 120.350 118.700 -2.018 0.000 2.642 263 N HA -0.237 4.503 4.740 -0.000 0.000 0.269 263 N C -1.116 174.265 175.510 -0.214 0.000 1.073 263 N CA 1.372 53.611 53.050 -1.351 0.000 0.748 263 N CB -1.346 36.529 38.487 -1.019 0.000 0.894 263 N HN 0.738 nan 8.380 nan 0.000 0.548 264 F N -2.498 117.400 119.950 -0.087 0.000 2.611 264 F HA 0.867 5.393 4.527 -0.000 0.000 0.324 264 F C 1.102 177.055 175.800 0.255 0.000 1.061 264 F CA 0.136 58.239 58.000 0.172 0.000 0.954 264 F CB 1.167 40.178 39.000 0.018 0.000 1.301 264 F HN 0.321 nan 8.300 nan 0.000 0.482 265 G N 1.537 110.421 108.800 0.139 0.000 2.596 265 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.258 265 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.258 265 G C -0.832 173.915 174.900 -0.256 0.000 1.207 265 G CA -0.083 45.007 45.100 -0.016 0.000 0.954 265 G HN 1.000 nan 8.290 nan 0.000 0.551 266 I N 2.260 122.695 120.570 -0.225 0.000 2.750 266 I HA 0.405 4.575 4.170 -0.000 0.000 0.279 266 I C -0.045 175.974 176.117 -0.164 0.000 1.206 266 I CA -0.715 60.427 61.300 -0.264 0.000 1.101 266 I CB 0.433 38.353 38.000 -0.134 0.000 1.431 266 I HN 0.534 nan 8.210 nan 0.000 0.551 267 Y N 1.982 122.299 120.300 0.029 0.000 2.480 267 Y HA 0.641 5.191 4.550 -0.000 0.000 0.323 267 Y C 0.238 176.156 175.900 0.030 0.000 1.267 267 Y CA -1.415 56.718 58.100 0.055 0.000 1.336 267 Y CB 0.475 39.020 38.460 0.141 0.000 1.361 267 Y HN 0.176 nan 8.280 nan 0.000 0.518 268 K N 1.530 122.090 120.400 0.268 0.000 2.201 268 K HA 0.294 4.614 4.320 -0.000 0.000 0.278 268 K C -0.664 176.071 176.600 0.225 0.000 1.027 268 K CA -0.690 55.704 56.287 0.179 0.000 0.909 268 K CB 0.825 33.385 32.500 0.100 0.000 1.062 268 K HN 0.836 nan 8.250 nan 0.000 0.465 269 R N 5.305 125.923 120.500 0.196 0.000 2.254 269 R HA 0.220 4.560 4.340 -0.000 0.000 0.318 269 R C 0.151 176.507 176.300 0.093 0.000 1.031 269 R CA -0.237 55.965 56.100 0.171 0.000 0.905 269 R CB 0.531 30.937 30.300 0.175 0.000 1.050 269 R HN 0.828 nan 8.270 nan 0.000 0.456 270 I N 2.766 123.376 120.570 0.067 0.000 2.368 270 I HA -0.031 4.139 4.170 -0.000 0.000 0.238 270 I C 0.391 176.537 176.117 0.048 0.000 1.076 270 I CA 0.492 61.821 61.300 0.049 0.000 1.397 270 I CB -0.049 37.974 38.000 0.038 0.000 1.141 270 I HN 0.537 nan 8.210 nan 0.000 0.430 271 K N 2.799 123.229 120.400 0.049 0.000 2.378 271 K HA 0.170 4.490 4.320 -0.000 0.000 0.288 271 K C -2.271 174.363 176.600 0.056 0.000 1.057 271 K CA -1.439 54.879 56.287 0.051 0.000 0.971 271 K CB 0.155 32.690 32.500 0.057 0.000 0.975 271 K HN -0.012 nan 8.250 nan 0.000 0.475 272 P HA -0.031 nan 4.420 nan 0.000 0.271 272 P C -0.265 177.065 177.300 0.050 0.000 1.244 272 P CA -0.416 62.712 63.100 0.047 0.000 0.793 272 P CB 0.525 32.247 31.700 0.037 0.000 0.984 273 L N 2.571 123.822 121.223 0.046 0.000 2.562 273 L HA 0.083 4.423 4.340 -0.000 0.000 0.271 273 L C -1.545 175.350 176.870 0.040 0.000 1.167 273 L CA -1.377 53.490 54.840 0.045 0.000 0.917 273 L CB -0.676 41.404 42.059 0.034 0.000 1.187 273 L HN 0.335 nan 8.230 nan 0.000 0.482 274 P HA -0.155 nan 4.420 nan 0.000 0.263 274 P C 0.844 178.164 177.300 0.032 0.000 1.145 274 P CA 0.491 63.616 63.100 0.042 0.000 0.755 274 P CB 0.526 32.256 31.700 0.050 0.000 0.746 275 T N 2.365 116.936 114.554 0.029 0.000 2.595 275 T HA -0.161 4.189 4.350 -0.000 0.000 0.264 275 T C 0.665 175.377 174.700 0.021 0.000 1.058 275 T CA 1.264 63.378 62.100 0.023 0.000 1.166 275 T CB -0.102 68.779 68.868 0.022 0.000 0.863 275 T HN 0.357 nan 8.240 nan 0.000 0.415 276 K N 0.707 121.120 120.400 0.021 0.000 2.156 276 K HA 0.464 4.784 4.320 -0.000 0.000 0.254 276 K C -0.866 175.747 176.600 0.022 0.000 0.950 276 K CA -0.809 55.490 56.287 0.019 0.000 0.849 276 K CB 1.179 33.689 32.500 0.017 0.000 1.100 276 K HN 0.153 nan 8.250 nan 0.000 0.434 277 K N 0.794 121.206 120.400 0.019 0.000 2.126 277 K HA 0.293 4.613 4.320 -0.000 0.000 0.257 277 K C -0.784 175.828 176.600 0.020 0.000 1.007 277 K CA -0.473 55.826 56.287 0.020 0.000 0.928 277 K CB 1.389 33.897 32.500 0.013 0.000 1.013 277 K HN 0.463 nan 8.250 nan 0.000 0.473 278 T N 0.657 115.225 114.554 0.024 0.000 2.829 278 T HA 0.619 4.969 4.350 -0.000 0.000 0.280 278 T C -0.146 174.558 174.700 0.008 0.000 0.999 278 T CA -0.494 61.620 62.100 0.025 0.000 0.983 278 T CB 1.513 70.406 68.868 0.041 0.000 0.968 278 T HN 0.855 nan 8.240 nan 0.000 0.446 279 G N 1.800 110.596 108.800 -0.006 0.000 2.825 279 G HA2 0.005 3.965 3.960 -0.000 0.000 0.684 279 G HA3 0.005 3.965 3.960 -0.000 0.000 0.684 279 G C -0.790 174.054 174.900 -0.093 0.000 1.528 279 G CA -0.408 44.651 45.100 -0.069 0.000 0.963 279 G HN 0.916 nan 8.290 nan 0.000 0.577 280 K N -0.201 120.113 120.400 -0.143 0.000 2.541 280 K HA 0.668 4.988 4.320 -0.000 0.000 0.250 280 K C -0.526 175.981 176.600 -0.154 0.000 0.950 280 K CA -0.670 55.551 56.287 -0.111 0.000 0.805 280 K CB 1.964 34.432 32.500 -0.053 0.000 1.166 280 K HN 1.088 nan 8.250 nan 0.000 0.430 281 V N 4.726 124.558 119.914 -0.137 0.000 2.448 281 V HA 0.527 4.647 4.120 -0.000 0.000 0.295 281 V C -0.240 175.791 176.094 -0.104 0.000 1.025 281 V CA -0.956 61.256 62.300 -0.146 0.000 0.859 281 V CB 1.279 33.002 31.823 -0.167 0.000 0.988 281 V HN 0.667 nan 8.190 nan 0.000 0.431 282 I N 5.502 126.019 120.570 -0.089 0.000 2.315 282 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 282 I C -0.042 176.017 176.117 -0.096 0.000 1.006 282 I CA -0.476 60.763 61.300 -0.103 0.000 1.265 282 I CB 1.459 39.408 38.000 -0.085 0.000 1.387 282 I HN 0.523 nan 8.210 nan 0.000 0.475 283 I N 7.486 127.987 120.570 -0.114 0.000 2.339 283 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 283 I C -0.026 176.032 176.117 -0.098 0.000 0.994 283 I CA -0.611 60.635 61.300 -0.090 0.000 1.191 283 I CB 1.594 39.540 38.000 -0.090 0.000 1.343 283 I HN 0.316 nan 8.210 nan 0.000 0.458 284 I N 5.884 126.420 120.570 -0.056 0.000 2.315 284 I HA 0.500 4.670 4.170 -0.000 0.000 0.291 284 I C 0.603 176.698 176.117 -0.036 0.000 1.006 284 I CA -0.097 61.169 61.300 -0.057 0.000 1.265 284 I CB 1.175 39.169 38.000 -0.011 0.000 1.387 284 I HN 0.792 nan 8.210 nan 0.000 0.475 285 G N 4.035 112.791 108.800 -0.074 0.000 3.039 285 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 285 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 285 G C -0.041 174.823 174.900 -0.059 0.000 1.066 285 G CA -0.219 44.846 45.100 -0.059 0.000 0.774 285 G HN 0.841 nan 8.290 nan 0.000 0.591 286 S N 2.083 117.742 115.700 -0.068 0.000 2.481 286 S HA 0.599 5.069 4.470 -0.000 0.000 0.243 286 S C 1.402 175.981 174.600 -0.036 0.000 1.152 286 S CA 0.666 58.830 58.200 -0.059 0.000 1.168 286 S CB 0.271 63.426 63.200 -0.074 0.000 0.835 286 S HN 2.104 nan 8.310 nan 0.000 0.474 287 G N 0.881 109.672 108.800 -0.016 0.000 2.714 287 G HA2 0.191 4.151 3.960 -0.000 0.000 0.278 287 G HA3 0.191 4.151 3.960 -0.000 0.000 0.278 287 G C 0.978 175.862 174.900 -0.028 0.000 1.288 287 G CA -0.095 44.999 45.100 -0.009 0.000 1.027 287 G HN 0.367 nan 8.290 nan 0.000 0.607 288 V N 0.665 120.554 119.914 -0.041 0.000 2.427 288 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 288 V C 3.215 179.288 176.094 -0.036 0.000 1.051 288 V CA 2.629 64.899 62.300 -0.050 0.000 1.048 288 V CB -0.436 31.337 31.823 -0.083 0.000 0.666 288 V HN 0.920 nan 8.190 nan 0.000 0.456 289 S N 0.682 116.367 115.700 -0.025 0.000 2.343 289 S HA -0.113 4.357 4.470 -0.000 0.000 0.219 289 S C 2.189 176.776 174.600 -0.022 0.000 1.033 289 S CA 1.461 59.648 58.200 -0.020 0.000 1.014 289 S CB -1.294 61.903 63.200 -0.005 0.000 0.915 289 S HN 0.508 nan 8.310 nan 0.000 0.435 290 G N 2.500 111.290 108.800 -0.015 0.000 2.599 290 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 290 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 290 G C 1.507 176.379 174.900 -0.047 0.000 1.193 290 G CA 1.298 46.380 45.100 -0.029 0.000 0.778 290 G HN 0.494 nan 8.290 nan 0.000 0.589 291 L N 0.669 121.864 121.223 -0.047 0.000 2.021 291 L HA -0.218 4.122 4.340 -0.000 0.000 0.215 291 L C 3.470 180.306 176.870 -0.058 0.000 1.074 291 L CA 1.433 56.240 54.840 -0.054 0.000 0.760 291 L CB -0.492 41.539 42.059 -0.046 0.000 0.889 291 L HN 0.365 nan 8.230 nan 0.000 0.433 292 A N -0.385 122.408 122.820 -0.046 0.000 1.902 292 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 292 A C 2.510 180.053 177.584 -0.068 0.000 1.181 292 A CA 1.742 53.753 52.037 -0.042 0.000 0.623 292 A CB -0.719 18.264 19.000 -0.029 0.000 0.818 292 A HN 0.433 nan 8.150 nan 0.000 0.443 293 A N -0.052 122.729 122.820 -0.065 0.000 1.877 293 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 293 A C 2.544 180.065 177.584 -0.104 0.000 1.186 293 A CA 2.243 54.234 52.037 -0.076 0.000 0.620 293 A CB -1.170 17.797 19.000 -0.054 0.000 0.822 293 A HN 1.098 nan 8.150 nan 0.000 0.443 294 A N -0.305 122.458 122.820 -0.094 0.000 1.873 294 A HA -0.235 4.084 4.320 -0.000 0.000 0.218 294 A C 2.266 179.774 177.584 -0.127 0.000 1.193 294 A CA 1.762 53.738 52.037 -0.102 0.000 0.629 294 A CB -0.599 18.347 19.000 -0.090 0.000 0.826 294 A HN 0.517 nan 8.150 nan 0.000 0.447 295 R N -1.199 119.222 120.500 -0.131 0.000 2.105 295 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 295 R C 2.457 178.617 176.300 -0.233 0.000 1.135 295 R CA 1.497 57.500 56.100 -0.161 0.000 0.967 295 R CB -0.255 29.953 30.300 -0.153 0.000 0.861 295 R HN 0.564 nan 8.270 nan 0.000 0.442 296 Q N 0.558 120.190 119.800 -0.280 0.000 1.990 296 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 296 Q C 2.344 177.906 176.000 -0.730 0.000 0.980 296 Q CA 1.327 56.803 55.803 -0.546 0.000 0.832 296 Q CB -0.393 28.064 28.738 -0.468 0.000 0.897 296 Q HN 0.342 nan 8.270 nan 0.000 0.427 297 L N 0.636 121.645 121.223 -0.357 0.000 2.012 297 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 297 L C 2.726 179.546 176.870 -0.083 0.000 1.073 297 L CA 1.696 56.461 54.840 -0.125 0.000 0.748 297 L CB -0.600 41.428 42.059 -0.052 0.000 0.891 297 L HN 0.323 nan 8.230 nan 0.000 0.431 298 Q N 0.339 120.069 119.800 -0.116 0.000 2.077 298 Q HA -0.271 4.069 4.340 -0.000 0.000 0.206 298 Q C 2.317 178.288 176.000 -0.047 0.000 0.989 298 Q CA 2.633 58.395 55.803 -0.069 0.000 0.853 298 Q CB -0.120 28.569 28.738 -0.081 0.000 0.907 298 Q HN 0.559 nan 8.270 nan 0.000 0.418 299 S N -0.879 114.751 115.700 -0.115 0.000 2.423 299 S HA -0.075 4.395 4.470 -0.000 0.000 0.231 299 S C 1.355 176.005 174.600 0.083 0.000 1.014 299 S CA 0.534 58.708 58.200 -0.043 0.000 0.965 299 S CB -0.368 62.788 63.200 -0.073 0.000 0.785 299 S HN 0.432 nan 8.310 nan 0.000 0.495 300 F N 2.522 122.476 119.950 0.005 0.000 2.802 300 F HA 0.365 4.892 4.527 -0.000 0.000 0.300 300 F C 2.034 177.834 175.800 0.000 0.000 1.168 300 F CA -0.635 57.362 58.000 -0.005 0.000 1.433 300 F CB -0.989 37.999 39.000 -0.019 0.000 1.115 300 F HN 0.448 nan 8.300 nan 0.000 0.582 301 G N 0.257 109.156 108.800 0.164 0.000 2.132 301 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.228 301 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.228 301 G C 0.264 175.204 174.900 0.067 0.000 1.000 301 G CA -0.022 45.135 45.100 0.095 0.000 0.693 301 G HN 0.261 nan 8.290 nan 0.000 0.515 302 M N 0.118 119.753 119.600 0.058 0.000 2.573 302 M HA 0.401 4.881 4.480 -0.000 0.000 0.309 302 M C -0.354 175.941 176.300 -0.009 0.000 1.202 302 M CA -0.781 54.530 55.300 0.019 0.000 0.975 302 M CB 1.219 33.825 32.600 0.009 0.000 1.600 302 M HN 0.108 nan 8.290 nan 0.000 0.479 303 D N 2.214 122.600 120.400 -0.024 0.000 2.347 303 D HA 0.408 5.048 4.640 -0.000 0.000 0.235 303 D C -1.461 174.811 176.300 -0.046 0.000 1.149 303 D CA -0.203 53.781 54.000 -0.027 0.000 0.850 303 D CB 0.801 41.590 40.800 -0.019 0.000 1.061 303 D HN 0.326 nan 8.370 nan 0.000 0.487 304 V N 2.171 122.056 119.914 -0.049 0.000 2.628 304 V HA 0.678 4.797 4.120 -0.000 0.000 0.306 304 V C 0.305 176.359 176.094 -0.067 0.000 1.045 304 V CA -0.749 61.511 62.300 -0.067 0.000 0.905 304 V CB 1.888 33.664 31.823 -0.078 0.000 0.997 304 V HN 0.498 nan 8.190 nan 0.000 0.436 305 T N 4.531 119.033 114.554 -0.087 0.000 2.916 305 T HA 0.729 5.079 4.350 -0.000 0.000 0.298 305 T C -0.869 173.736 174.700 -0.158 0.000 1.031 305 T CA -0.387 61.646 62.100 -0.110 0.000 0.993 305 T CB 1.583 70.393 68.868 -0.097 0.000 1.045 305 T HN 0.477 nan 8.240 nan 0.000 0.454 306 L N 2.948 124.074 121.223 -0.162 0.000 2.329 306 L HA 0.638 4.978 4.340 -0.000 0.000 0.279 306 L C -0.700 176.034 176.870 -0.227 0.000 1.014 306 L CA -0.690 54.046 54.840 -0.173 0.000 0.814 306 L CB 1.251 43.232 42.059 -0.129 0.000 1.257 306 L HN 0.432 nan 8.230 nan 0.000 0.424 307 L N 2.577 123.650 121.223 -0.250 0.000 2.287 307 L HA 0.619 4.959 4.340 -0.000 0.000 0.287 307 L C -0.470 176.261 176.870 -0.232 0.000 1.022 307 L CA -0.484 54.187 54.840 -0.283 0.000 0.814 307 L CB 1.570 43.422 42.059 -0.345 0.000 1.217 307 L HN 0.487 nan 8.230 nan 0.000 0.420 308 E N 1.924 121.979 120.200 -0.242 0.000 2.191 308 E HA 0.517 4.867 4.350 -0.000 0.000 0.263 308 E C 0.265 176.655 176.600 -0.350 0.000 0.881 308 E CA -0.317 55.932 56.400 -0.251 0.000 0.757 308 E CB 2.071 31.659 29.700 -0.186 0.000 1.147 308 E HN 0.573 nan 8.360 nan 0.000 0.414 309 A N 5.400 127.897 122.820 -0.538 0.000 1.933 309 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 309 A C 1.019 178.210 177.584 -0.655 0.000 1.175 309 A CA 0.987 52.503 52.037 -0.867 0.000 0.628 309 A CB -0.240 17.629 19.000 -1.886 0.000 0.814 309 A HN 0.602 nan 8.150 nan 0.000 0.444 310 R N 0.273 120.478 120.500 -0.491 0.000 2.726 310 R HA 0.202 4.542 4.340 -0.000 0.000 0.272 310 R C -0.107 176.122 176.300 -0.119 0.000 1.097 310 R CA 0.241 56.223 56.100 -0.197 0.000 1.198 310 R CB 0.116 30.374 30.300 -0.069 0.000 1.114 310 R HN 0.478 nan 8.270 nan 0.000 0.550 311 D N 0.478 120.852 120.400 -0.043 0.000 2.352 311 D HA 0.010 4.650 4.640 -0.000 0.000 0.236 311 D C -0.109 176.173 176.300 -0.031 0.000 1.148 311 D CA -0.117 53.861 54.000 -0.037 0.000 0.844 311 D CB -0.078 40.715 40.800 -0.012 0.000 0.933 311 D HN 0.458 nan 8.370 nan 0.000 0.507 312 R N -1.706 118.774 120.500 -0.033 0.000 2.747 312 R HA 0.598 4.938 4.340 -0.000 0.000 0.272 312 R C -0.766 175.518 176.300 -0.027 0.000 1.032 312 R CA -1.145 54.942 56.100 -0.022 0.000 0.896 312 R CB 0.929 31.230 30.300 0.002 0.000 1.253 312 R HN -0.104 nan 8.270 nan 0.000 0.461 313 V N -1.711 118.191 119.914 -0.021 0.000 3.109 313 V HA 0.847 4.967 4.120 -0.000 0.000 0.317 313 V C 0.967 177.061 176.094 -0.000 0.000 1.074 313 V CA 0.346 62.633 62.300 -0.022 0.000 1.033 313 V CB 0.748 32.552 31.823 -0.031 0.000 1.111 313 V HN 1.296 nan 8.190 nan 0.000 0.458 314 G N -0.481 108.315 108.800 -0.007 0.000 2.234 314 G HA2 0.016 3.976 3.960 -0.000 0.000 0.235 314 G HA3 0.016 3.976 3.960 -0.000 0.000 0.235 314 G C 1.741 176.651 174.900 0.017 0.000 0.997 314 G CA 0.874 45.970 45.100 -0.007 0.000 0.623 314 G HN 2.673 nan 8.290 nan 0.000 0.514 315 G N 0.369 109.203 108.800 0.058 0.000 2.672 315 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.332 315 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.332 315 G C 1.001 176.001 174.900 0.167 0.000 1.213 315 G CA 1.569 46.738 45.100 0.115 0.000 0.980 315 G HN 1.174 nan 8.290 nan 0.000 0.548 316 R N -0.071 120.472 120.500 0.072 0.000 2.323 316 R HA 0.268 4.607 4.340 -0.000 0.000 0.198 316 R C 0.487 176.749 176.300 -0.063 0.000 0.988 316 R CA 0.381 56.443 56.100 -0.064 0.000 1.041 316 R CB 0.020 30.194 30.300 -0.209 0.000 0.926 316 R HN 0.207 nan 8.270 nan 0.000 0.476 317 V N 1.752 121.650 119.914 -0.025 0.000 2.218 317 V HA 0.320 4.440 4.120 -0.000 0.000 0.261 317 V C -0.036 176.105 176.094 0.080 0.000 1.142 317 V CA -0.516 61.755 62.300 -0.049 0.000 0.965 317 V CB 0.709 32.402 31.823 -0.217 0.000 1.190 317 V HN 0.138 nan 8.190 nan 0.000 0.478 318 A N 3.339 126.271 122.820 0.186 0.000 2.324 318 A HA 0.876 5.196 4.320 -0.000 0.000 0.330 318 A C 0.118 177.820 177.584 0.195 0.000 1.165 318 A CA -0.427 51.737 52.037 0.211 0.000 0.813 318 A CB 1.158 20.341 19.000 0.305 0.000 1.197 318 A HN 0.544 nan 8.150 nan 0.000 0.484 319 T N 2.118 116.763 114.554 0.152 0.000 2.965 319 T HA 0.330 4.680 4.350 -0.000 0.000 0.306 319 T C -0.729 174.038 174.700 0.111 0.000 0.991 319 T CA -0.148 62.033 62.100 0.135 0.000 1.001 319 T CB 0.257 69.187 68.868 0.104 0.000 0.984 319 T HN 0.514 nan 8.240 nan 0.000 0.446 320 F N 4.037 123.981 119.950 -0.010 0.000 2.578 320 F HA 0.436 4.963 4.527 -0.000 0.000 0.381 320 F C 0.533 176.312 175.800 -0.035 0.000 1.069 320 F CA 0.065 58.048 58.000 -0.029 0.000 1.231 320 F CB 0.345 39.313 39.000 -0.053 0.000 1.086 320 F HN 0.390 nan 8.300 nan 0.000 0.564 321 R N 5.603 125.669 120.500 -0.724 0.000 2.621 321 R HA 0.555 4.895 4.340 -0.000 0.000 0.292 321 R C -1.361 174.494 176.300 -0.742 0.000 0.969 321 R CA -1.156 54.628 56.100 -0.528 0.000 0.887 321 R CB 1.986 32.135 30.300 -0.251 0.000 1.180 321 R HN 0.700 nan 8.270 nan 0.000 0.450 322 K N 1.369 121.528 120.400 -0.402 0.000 2.609 322 K HA 0.216 4.536 4.320 -0.000 0.000 0.261 322 K C 0.107 176.706 176.600 -0.002 0.000 0.945 322 K CA 0.316 56.484 56.287 -0.199 0.000 0.898 322 K CB 1.385 33.781 32.500 -0.173 0.000 1.349 322 K HN 0.652 nan 8.250 nan 0.000 0.420 323 G N 3.709 112.492 108.800 -0.028 0.000 2.704 323 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.344 323 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.344 323 G C 0.398 175.229 174.900 -0.114 0.000 1.200 323 G CA 0.996 46.055 45.100 -0.070 0.000 0.962 323 G HN 0.722 nan 8.290 nan 0.000 0.552 324 N N -0.449 118.117 118.700 -0.222 0.000 2.166 324 N HA 0.150 4.890 4.740 -0.000 0.000 0.213 324 N C -0.260 175.170 175.510 -0.133 0.000 1.222 324 N CA 0.013 52.954 53.050 -0.182 0.000 0.900 324 N CB 0.837 39.197 38.487 -0.211 0.000 1.055 324 N HN 0.425 nan 8.380 nan 0.000 0.515 325 Y N 1.391 121.723 120.300 0.053 0.000 2.526 325 Y HA 0.166 4.716 4.550 -0.000 0.000 0.330 325 Y C 0.617 176.532 175.900 0.025 0.000 1.156 325 Y CA -0.056 58.094 58.100 0.084 0.000 1.419 325 Y CB 0.645 39.228 38.460 0.205 0.000 1.250 325 Y HN -0.306 nan 8.280 nan 0.000 0.540 326 V N 2.909 122.877 119.914 0.090 0.000 2.567 326 V HA 0.803 4.923 4.120 -0.000 0.000 0.298 326 V C -0.663 175.106 176.094 -0.542 0.000 1.047 326 V CA -0.870 61.361 62.300 -0.115 0.000 0.880 326 V CB 1.436 33.195 31.823 -0.106 0.000 1.009 326 V HN 0.874 nan 8.190 nan 0.000 0.429 327 A N 3.545 126.184 122.820 -0.301 0.000 2.520 327 A HA 0.754 5.074 4.320 -0.000 0.000 0.298 327 A C -1.195 176.365 177.584 -0.041 0.000 1.051 327 A CA -0.720 51.012 52.037 -0.509 0.000 0.690 327 A CB 1.375 20.207 19.000 -0.279 0.000 1.281 327 A HN 0.672 nan 8.150 nan 0.000 0.402 328 D N 2.582 123.053 120.400 0.119 0.000 2.277 328 D HA 0.353 4.993 4.640 -0.000 0.000 0.249 328 D C 0.777 177.176 176.300 0.166 0.000 1.134 328 D CA -0.069 54.043 54.000 0.186 0.000 0.863 328 D CB 1.488 42.436 40.800 0.247 0.000 1.143 328 D HN 0.490 nan 8.370 nan 0.000 0.458 329 L N 0.726 122.071 121.223 0.203 0.000 2.607 329 L HA 0.265 4.605 4.340 -0.000 0.000 0.228 329 L C 1.470 178.600 176.870 0.433 0.000 1.123 329 L CA -0.283 54.705 54.840 0.248 0.000 0.890 329 L CB 0.057 42.229 42.059 0.189 0.000 1.103 329 L HN 0.281 nan 8.230 nan 0.000 0.468 330 G N 0.214 109.218 108.800 0.340 0.000 2.882 330 G HA2 0.615 4.575 3.960 -0.000 0.000 0.164 330 G HA3 0.615 4.575 3.960 -0.000 0.000 0.164 330 G C -0.159 174.799 174.900 0.096 0.000 1.429 330 G CA -0.023 45.197 45.100 0.200 0.000 1.059 330 G HN 0.186 nan 8.290 nan 0.000 0.581 331 A N -0.280 122.566 122.820 0.044 0.000 2.483 331 A HA 0.476 4.796 4.320 -0.000 0.000 0.238 331 A C 0.867 178.630 177.584 0.299 0.000 1.070 331 A CA 0.945 53.050 52.037 0.113 0.000 0.770 331 A CB 0.044 19.068 19.000 0.040 0.000 1.008 331 A HN 1.031 nan 8.150 nan 0.000 0.497 332 M N 0.635 120.352 119.600 0.196 0.000 2.163 332 M HA 0.328 4.808 4.480 -0.000 0.000 0.356 332 M C -1.056 175.235 176.300 -0.015 0.000 0.863 332 M CA 0.214 55.572 55.300 0.098 0.000 1.113 332 M CB 0.141 32.720 32.600 -0.035 0.000 2.038 332 M HN 0.225 nan 8.290 nan 0.000 0.691 333 V N 2.436 122.374 119.914 0.040 0.000 2.483 333 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 333 V C -0.203 175.919 176.094 0.047 0.000 1.035 333 V CA -0.708 61.614 62.300 0.037 0.000 0.896 333 V CB 2.097 33.980 31.823 0.100 0.000 0.986 333 V HN 0.141 nan 8.190 nan 0.000 0.447 334 V N 3.804 123.719 119.914 0.002 0.000 2.394 334 V HA 0.304 4.424 4.120 -0.000 0.000 0.282 334 V C 0.864 176.954 176.094 -0.007 0.000 1.031 334 V CA -0.198 62.131 62.300 0.048 0.000 0.881 334 V CB 1.804 33.636 31.823 0.015 0.000 0.982 334 V HN 1.029 nan 8.190 nan 0.000 0.451 335 T N 0.620 115.170 114.554 -0.005 0.000 3.256 335 T HA 0.557 4.907 4.350 -0.000 0.000 0.237 335 T C 0.474 175.253 174.700 0.132 0.000 0.908 335 T CA 0.141 62.086 62.100 -0.258 0.000 0.966 335 T CB -0.456 68.219 68.868 -0.322 0.000 1.134 335 T HN 1.704 nan 8.240 nan 0.000 0.573 336 G N 0.857 109.770 108.800 0.188 0.000 3.055 336 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.686 336 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.686 336 G C 0.058 175.039 174.900 0.136 0.000 1.087 336 G CA -0.578 44.670 45.100 0.247 0.000 0.779 336 G HN 0.402 nan 8.290 nan 0.000 0.599 337 L N 1.397 122.660 121.223 0.066 0.000 2.492 337 L HA 0.172 4.512 4.340 -0.000 0.000 0.223 337 L C 2.242 179.043 176.870 -0.116 0.000 1.132 337 L CA 0.919 55.731 54.840 -0.046 0.000 0.850 337 L CB -0.131 41.923 42.059 -0.009 0.000 0.966 337 L HN 0.808 nan 8.230 nan 0.000 0.454 338 G N 0.306 109.108 108.800 0.003 0.000 2.734 338 G HA2 0.323 4.283 3.960 -0.000 0.000 0.287 338 G HA3 0.323 4.283 3.960 -0.000 0.000 0.287 338 G C 1.061 175.808 174.900 -0.254 0.000 0.728 338 G CA 0.530 45.670 45.100 0.066 0.000 1.999 338 G HN 0.467 nan 8.290 nan 0.000 0.535 339 G N 1.257 109.756 108.800 -0.501 0.000 2.148 339 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.203 339 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.203 339 G C 0.318 174.568 174.900 -1.083 0.000 0.993 339 G CA -0.072 44.604 45.100 -0.706 0.000 0.661 339 G HN 0.814 nan 8.290 nan 0.000 0.518 340 N N 1.107 119.042 118.700 -1.275 0.000 2.472 340 N HA 0.380 5.120 4.740 -0.000 0.000 0.277 340 N C -0.459 174.755 175.510 -0.493 0.000 1.081 340 N CA -1.628 50.620 53.050 -1.335 0.000 0.973 340 N CB 2.003 39.911 38.487 -0.965 0.000 1.105 340 N HN 0.041 nan 8.380 nan 0.000 0.470 341 P HA -0.137 nan 4.420 nan 0.000 0.218 341 P C 1.467 178.827 177.300 0.100 0.000 1.148 341 P CA 1.090 64.180 63.100 -0.017 0.000 0.822 341 P CB 0.238 31.887 31.700 -0.084 0.000 0.784 342 M N -0.317 119.310 119.600 0.046 0.000 2.267 342 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 342 M C 2.231 178.558 176.300 0.044 0.000 1.063 342 M CA 1.423 56.781 55.300 0.096 0.000 1.090 342 M CB -2.017 30.660 32.600 0.128 0.000 1.392 342 M HN -0.068 nan 8.290 nan 0.000 0.422 343 A N 0.556 123.361 122.820 -0.025 0.000 1.859 343 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 343 A C 2.455 180.020 177.584 -0.032 0.000 1.198 343 A CA 2.475 54.487 52.037 -0.042 0.000 0.629 343 A CB -1.170 17.777 19.000 -0.087 0.000 0.830 343 A HN 0.300 nan 8.150 nan 0.000 0.446 344 V N -0.185 119.726 119.914 -0.006 0.000 2.250 344 V HA -0.310 3.809 4.120 -0.000 0.000 0.250 344 V C 2.571 178.622 176.094 -0.071 0.000 1.060 344 V CA 2.260 64.517 62.300 -0.071 0.000 1.030 344 V CB -1.204 30.627 31.823 0.014 0.000 0.643 344 V HN 0.398 nan 8.190 nan 0.000 0.445 345 V N 1.248 121.186 119.914 0.040 0.000 2.332 345 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 345 V C 2.669 178.770 176.094 0.012 0.000 1.055 345 V CA 2.364 64.690 62.300 0.043 0.000 1.038 345 V CB -1.162 30.735 31.823 0.124 0.000 0.651 345 V HN 0.775 nan 8.190 nan 0.000 0.450 346 S N -0.247 115.461 115.700 0.014 0.000 2.442 346 S HA -0.206 4.264 4.470 -0.000 0.000 0.236 346 S C 1.867 176.453 174.600 -0.023 0.000 1.007 346 S CA 1.338 59.540 58.200 0.003 0.000 0.965 346 S CB -0.409 62.792 63.200 0.001 0.000 0.773 346 S HN 0.638 nan 8.310 nan 0.000 0.504 347 K N 0.850 121.219 120.400 -0.053 0.000 2.167 347 K HA 0.051 4.370 4.320 -0.000 0.000 0.203 347 K C 2.521 179.079 176.600 -0.071 0.000 1.052 347 K CA 1.147 57.389 56.287 -0.075 0.000 0.956 347 K CB -0.111 32.316 32.500 -0.121 0.000 0.735 347 K HN 0.493 nan 8.250 nan 0.000 0.451 348 Q N 0.005 119.763 119.800 -0.069 0.000 2.163 348 Q HA 0.010 4.350 4.340 -0.000 0.000 0.198 348 Q C 0.217 176.198 176.000 -0.032 0.000 0.954 348 Q CA 0.543 56.311 55.803 -0.058 0.000 0.851 348 Q CB 0.546 29.245 28.738 -0.066 0.000 0.928 348 Q HN -0.002 nan 8.270 nan 0.000 0.459 349 V N 1.411 121.316 119.914 -0.015 0.000 2.769 349 V HA 0.159 4.279 4.120 -0.000 0.000 0.312 349 V C -0.203 175.894 176.094 0.006 0.000 1.058 349 V CA -1.117 61.184 62.300 0.001 0.000 0.952 349 V CB 1.683 33.518 31.823 0.021 0.000 1.019 349 V HN 0.133 nan 8.190 nan 0.000 0.445 350 N N 3.355 122.061 118.700 0.010 0.000 2.498 350 N HA 0.210 4.950 4.740 -0.000 0.000 0.277 350 N C -0.711 174.813 175.510 0.023 0.000 1.208 350 N CA 0.362 53.420 53.050 0.013 0.000 1.029 350 N CB -0.325 38.169 38.487 0.012 0.000 1.403 350 N HN 0.606 nan 8.380 nan 0.000 0.500 351 M N 1.640 121.251 119.600 0.019 0.000 2.294 351 M HA 0.263 4.743 4.480 -0.000 0.000 0.335 351 M C -0.050 176.257 176.300 0.012 0.000 1.079 351 M CA -0.557 54.754 55.300 0.018 0.000 0.982 351 M CB 1.875 34.480 32.600 0.008 0.000 1.651 351 M HN 0.222 nan 8.290 nan 0.000 0.437 352 E N 4.122 124.333 120.200 0.019 0.000 1.893 352 E HA 0.279 4.629 4.350 -0.000 0.000 0.269 352 E C -1.069 175.537 176.600 0.010 0.000 1.129 352 E CA -0.190 56.223 56.400 0.021 0.000 0.904 352 E CB 0.238 29.960 29.700 0.038 0.000 1.077 352 E HN 0.528 nan 8.360 nan 0.000 0.407 353 L N 2.513 123.737 121.223 0.001 0.000 2.367 353 L HA 0.397 4.737 4.340 -0.000 0.000 0.275 353 L C 0.210 177.089 176.870 0.015 0.000 1.129 353 L CA -0.303 54.534 54.840 -0.004 0.000 0.839 353 L CB 0.776 42.834 42.059 -0.003 0.000 1.133 353 L HN 0.460 nan 8.230 nan 0.000 0.453 354 A N 4.300 127.131 122.820 0.019 0.000 2.393 354 A HA 0.602 4.921 4.320 -0.000 0.000 0.306 354 A C -0.741 176.873 177.584 0.050 0.000 1.050 354 A CA -0.936 51.121 52.037 0.034 0.000 0.724 354 A CB 1.140 20.158 19.000 0.030 0.000 1.248 354 A HN 0.658 nan 8.150 nan 0.000 0.424 355 K N 1.797 122.234 120.400 0.062 0.000 2.202 355 K HA 0.468 4.788 4.320 -0.000 0.000 0.264 355 K C -0.876 175.781 176.600 0.095 0.000 1.010 355 K CA -0.072 56.266 56.287 0.085 0.000 0.940 355 K CB 1.007 33.553 32.500 0.076 0.000 0.983 355 K HN 0.556 nan 8.250 nan 0.000 0.475 356 I N 2.695 123.341 120.570 0.126 0.000 2.306 356 I HA 0.079 4.249 4.170 -0.000 0.000 0.288 356 I C -0.188 175.984 176.117 0.091 0.000 1.036 356 I CA -0.694 60.684 61.300 0.130 0.000 1.221 356 I CB 0.791 38.916 38.000 0.209 0.000 1.385 356 I HN 0.350 nan 8.210 nan 0.000 0.472 357 K N 6.345 126.786 120.400 0.067 0.000 2.382 357 K HA 0.049 4.369 4.320 -0.000 0.000 0.286 357 K C 0.770 177.390 176.600 0.033 0.000 1.062 357 K CA -0.226 56.091 56.287 0.050 0.000 1.000 357 K CB 0.426 32.956 32.500 0.050 0.000 0.954 357 K HN 0.451 nan 8.250 nan 0.000 0.470 358 Q N 1.796 121.614 119.800 0.030 0.000 2.557 358 Q HA -0.104 4.236 4.340 -0.000 0.000 0.217 358 Q C -0.012 175.997 176.000 0.015 0.000 0.978 358 Q CA 0.608 56.423 55.803 0.021 0.000 0.950 358 Q CB -0.079 28.675 28.738 0.026 0.000 0.991 358 Q HN 0.393 nan 8.270 nan 0.000 0.533 359 K N 0.754 121.163 120.400 0.015 0.000 2.363 359 K HA 0.061 4.381 4.320 -0.000 0.000 0.289 359 K C -1.105 175.495 176.600 0.000 0.000 1.063 359 K CA -0.002 56.290 56.287 0.009 0.000 0.967 359 K CB 0.313 32.823 32.500 0.016 0.000 0.987 359 K HN 0.025 nan 8.250 nan 0.000 0.473 360 C N 8.681 127.968 119.300 -0.022 0.000 2.437 360 C HA 0.453 4.913 4.460 -0.000 0.000 0.307 360 C C -2.467 172.457 174.990 -0.111 0.000 1.093 360 C CA -2.198 56.794 59.018 -0.044 0.000 1.463 360 C CB 0.150 27.860 27.740 -0.051 0.000 1.926 360 C HN 0.733 nan 8.230 nan 0.000 0.420 361 P HA 0.253 nan 4.420 nan 0.000 0.271 361 P C -0.766 176.385 177.300 -0.247 0.000 1.216 361 P CA 0.327 63.319 63.100 -0.179 0.000 0.771 361 P CB 0.717 32.354 31.700 -0.106 0.000 0.864 362 L N 3.483 124.417 121.223 -0.482 0.000 2.360 362 L HA 0.456 4.796 4.340 -0.000 0.000 0.271 362 L C -0.277 176.260 176.870 -0.555 0.000 1.057 362 L CA -0.840 53.707 54.840 -0.488 0.000 0.803 362 L CB 0.628 42.303 42.059 -0.639 0.000 1.207 362 L HN 0.346 nan 8.230 nan 0.000 0.445 363 Y N -0.073 120.114 120.300 -0.189 0.000 2.354 363 Y HA 0.278 4.828 4.550 -0.000 0.000 0.330 363 Y C 0.096 175.931 175.900 -0.108 0.000 1.011 363 Y CA -0.786 57.237 58.100 -0.128 0.000 1.099 363 Y CB 1.620 40.027 38.460 -0.089 0.000 1.179 363 Y HN 0.536 nan 8.280 nan 0.000 0.442 364 E N 1.057 121.260 120.200 0.005 0.000 2.428 364 E HA 0.184 4.534 4.350 -0.000 0.000 0.257 364 E C 0.883 177.507 176.600 0.041 0.000 1.197 364 E CA 0.487 56.876 56.400 -0.018 0.000 0.974 364 E CB 0.719 30.402 29.700 -0.028 0.000 0.976 364 E HN 0.862 nan 8.360 nan 0.000 0.463 365 A N 2.219 125.054 122.820 0.023 0.000 1.948 365 A HA -0.298 4.022 4.320 -0.000 0.000 0.220 365 A C 1.683 179.347 177.584 0.133 0.000 1.177 365 A CA 2.415 54.520 52.037 0.112 0.000 0.636 365 A CB -0.921 18.135 19.000 0.094 0.000 0.815 365 A HN 0.750 nan 8.150 nan 0.000 0.449 366 N N -1.676 117.070 118.700 0.078 0.000 2.396 366 N HA 0.246 4.986 4.740 -0.000 0.000 0.180 366 N C 1.075 176.621 175.510 0.059 0.000 1.028 366 N CA 1.630 54.715 53.050 0.060 0.000 0.893 366 N CB -0.378 38.128 38.487 0.032 0.000 0.967 366 N HN 0.941 nan 8.380 nan 0.000 0.440 367 G N -1.735 107.113 108.800 0.081 0.000 2.148 367 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.203 367 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.203 367 G C -0.678 174.270 174.900 0.081 0.000 0.993 367 G CA -0.243 44.902 45.100 0.074 0.000 0.661 367 G HN 0.328 nan 8.290 nan 0.000 0.518 368 Q N 0.538 120.371 119.800 0.056 0.000 2.296 368 Q HA 0.636 4.976 4.340 -0.000 0.000 0.257 368 Q C 0.637 176.614 176.000 -0.039 0.000 0.942 368 Q CA 0.331 56.141 55.803 0.012 0.000 0.939 368 Q CB 1.490 30.215 28.738 -0.021 0.000 1.198 368 Q HN 0.883 nan 8.270 nan 0.000 0.429 369 A N 3.152 125.902 122.820 -0.117 0.000 2.566 369 A HA 0.149 4.469 4.320 -0.000 0.000 0.245 369 A C 0.258 177.647 177.584 -0.324 0.000 1.056 369 A CA -0.245 51.519 52.037 -0.454 0.000 0.757 369 A CB 0.117 18.799 19.000 -0.531 0.000 0.979 369 A HN 0.521 nan 8.150 nan 0.000 0.508 370 V N 5.856 125.553 119.914 -0.362 0.000 2.572 370 V HA 0.231 4.351 4.120 -0.000 0.000 0.291 370 V C -1.724 174.233 176.094 -0.228 0.000 1.039 370 V CA -0.732 61.419 62.300 -0.247 0.000 1.055 370 V CB 0.530 32.207 31.823 -0.244 0.000 0.969 370 V HN 0.883 nan 8.190 nan 0.000 0.482 371 P HA 0.408 nan 4.420 nan 0.000 0.284 371 P C 0.302 177.533 177.300 -0.115 0.000 1.258 371 P CA -0.894 62.125 63.100 -0.135 0.000 0.824 371 P CB 1.053 32.692 31.700 -0.102 0.000 1.038 372 K N 0.584 120.922 120.400 -0.102 0.000 2.107 372 K HA -0.233 4.087 4.320 -0.000 0.000 0.211 372 K C 1.769 178.328 176.600 -0.067 0.000 1.049 372 K CA 1.641 57.879 56.287 -0.082 0.000 0.927 372 K CB -0.198 32.263 32.500 -0.066 0.000 0.714 372 K HN 0.467 nan 8.250 nan 0.000 0.452 373 E N 0.939 121.102 120.200 -0.062 0.000 2.033 373 E HA -0.218 4.132 4.350 -0.000 0.000 0.199 373 E C 1.924 178.490 176.600 -0.057 0.000 1.011 373 E CA 1.292 57.660 56.400 -0.053 0.000 0.815 373 E CB -0.093 29.578 29.700 -0.049 0.000 0.755 373 E HN 0.243 nan 8.360 nan 0.000 0.451 374 K N 0.674 121.033 120.400 -0.068 0.000 1.973 374 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 374 K C 1.937 178.493 176.600 -0.073 0.000 1.045 374 K CA 0.965 57.209 56.287 -0.072 0.000 0.937 374 K CB -0.694 31.757 32.500 -0.081 0.000 0.721 374 K HN 0.050 nan 8.250 nan 0.000 0.438 375 D N 1.279 121.628 120.400 -0.085 0.000 2.303 375 D HA -0.227 4.413 4.640 -0.000 0.000 0.190 375 D C 1.710 177.981 176.300 -0.049 0.000 1.011 375 D CA 1.833 55.787 54.000 -0.076 0.000 0.860 375 D CB -0.047 40.689 40.800 -0.105 0.000 0.961 375 D HN 0.309 nan 8.370 nan 0.000 0.453 376 E N -0.849 119.323 120.200 -0.047 0.000 2.150 376 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 376 E C 2.380 178.956 176.600 -0.041 0.000 0.985 376 E CA 0.574 56.954 56.400 -0.033 0.000 0.814 376 E CB -0.089 29.596 29.700 -0.026 0.000 0.752 376 E HN 0.443 nan 8.360 nan 0.000 0.466 377 M N 0.390 119.960 119.600 -0.050 0.000 2.236 377 M HA -0.096 4.384 4.480 -0.000 0.000 0.266 377 M C 2.386 178.643 176.300 -0.071 0.000 1.070 377 M CA 0.839 56.108 55.300 -0.051 0.000 1.137 377 M CB 0.095 32.666 32.600 -0.048 0.000 1.378 377 M HN 0.018 nan 8.290 nan 0.000 0.426 378 V N 0.353 120.212 119.914 -0.093 0.000 2.270 378 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 378 V C 2.117 178.084 176.094 -0.212 0.000 1.043 378 V CA 2.235 64.457 62.300 -0.130 0.000 1.014 378 V CB -1.052 30.707 31.823 -0.107 0.000 0.645 378 V HN 0.514 nan 8.190 nan 0.000 0.447 379 E N 0.494 120.521 120.200 -0.288 0.000 2.035 379 E HA -0.363 3.987 4.350 -0.000 0.000 0.204 379 E C 2.358 178.904 176.600 -0.091 0.000 1.025 379 E CA 2.275 58.436 56.400 -0.399 0.000 0.835 379 E CB -0.380 29.230 29.700 -0.149 0.000 0.764 379 E HN 0.638 nan 8.360 nan 0.000 0.457 380 Q N -0.266 119.513 119.800 -0.034 0.000 2.291 380 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 380 Q C 1.861 177.868 176.000 0.010 0.000 0.976 380 Q CA 1.594 57.403 55.803 0.010 0.000 0.875 380 Q CB 0.012 28.753 28.738 0.005 0.000 0.927 380 Q HN 0.218 nan 8.270 nan 0.000 0.450 381 E N 0.003 120.200 120.200 -0.005 0.000 2.072 381 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 381 E C 1.451 178.083 176.600 0.052 0.000 0.985 381 E CA 1.010 57.423 56.400 0.022 0.000 0.801 381 E CB -0.530 29.163 29.700 -0.012 0.000 0.750 381 E HN 0.428 nan 8.360 nan 0.000 0.452 382 F N 1.639 121.511 119.950 -0.129 0.000 2.063 382 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 382 F C 1.814 177.625 175.800 0.018 0.000 1.109 382 F CA 2.119 60.053 58.000 -0.110 0.000 1.212 382 F CB -0.573 38.272 39.000 -0.258 0.000 0.973 382 F HN 0.072 nan 8.300 nan 0.000 0.480 383 N N 0.477 119.081 118.700 -0.161 0.000 2.166 383 N HA -0.161 4.578 4.740 -0.000 0.000 0.186 383 N C 1.995 177.429 175.510 -0.127 0.000 1.019 383 N CA 1.410 54.338 53.050 -0.202 0.000 0.856 383 N CB -0.382 38.103 38.487 -0.003 0.000 0.993 383 N HN 0.423 nan 8.380 nan 0.000 0.426 384 R N 0.630 121.096 120.500 -0.056 0.000 2.092 384 R HA 0.058 4.398 4.340 -0.000 0.000 0.231 384 R C 2.345 178.635 176.300 -0.017 0.000 1.119 384 R CA 0.590 56.678 56.100 -0.020 0.000 0.970 384 R CB -0.238 30.067 30.300 0.009 0.000 0.864 384 R HN 0.169 nan 8.270 nan 0.000 0.440 385 L N 0.409 121.623 121.223 -0.015 0.000 2.046 385 L HA -0.201 4.138 4.340 -0.000 0.000 0.208 385 L C 2.236 179.101 176.870 -0.009 0.000 1.077 385 L CA 1.187 56.044 54.840 0.029 0.000 0.747 385 L CB -0.292 41.846 42.059 0.131 0.000 0.896 385 L HN 0.205 nan 8.230 nan 0.000 0.432 386 L N -0.659 120.493 121.223 -0.118 0.000 1.976 386 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 386 L C 2.533 179.427 176.870 0.040 0.000 1.071 386 L CA 1.377 56.184 54.840 -0.055 0.000 0.746 386 L CB -0.494 41.481 42.059 -0.140 0.000 0.890 386 L HN 0.228 nan 8.230 nan 0.000 0.432 387 E N -0.042 120.171 120.200 0.021 0.000 2.086 387 E HA -0.361 3.989 4.350 -0.000 0.000 0.205 387 E C 2.199 178.851 176.600 0.086 0.000 1.027 387 E CA 1.535 57.971 56.400 0.060 0.000 0.830 387 E CB -0.323 29.399 29.700 0.036 0.000 0.751 387 E HN 0.545 nan 8.360 nan 0.000 0.456 388 A N 0.985 123.834 122.820 0.048 0.000 1.915 388 A HA -0.319 4.001 4.320 -0.000 0.000 0.220 388 A C 2.485 180.131 177.584 0.104 0.000 1.198 388 A CA 3.009 55.072 52.037 0.043 0.000 0.647 388 A CB -1.480 17.522 19.000 0.004 0.000 0.825 388 A HN 0.503 nan 8.150 nan 0.000 0.456 389 T N -3.198 111.411 114.554 0.091 0.000 2.746 389 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 389 T C 2.064 176.822 174.700 0.098 0.000 1.039 389 T CA 1.847 64.008 62.100 0.101 0.000 1.142 389 T CB -0.786 68.133 68.868 0.086 0.000 0.866 389 T HN 0.379 nan 8.240 nan 0.000 0.444 390 S N 0.296 116.062 115.700 0.110 0.000 2.374 390 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 390 S C 1.777 176.397 174.600 0.033 0.000 1.037 390 S CA 1.302 59.535 58.200 0.056 0.000 1.024 390 S CB -0.792 62.496 63.200 0.146 0.000 0.861 390 S HN 0.654 nan 8.310 nan 0.000 0.456 391 Y N 1.296 121.602 120.300 0.009 0.000 2.181 391 Y HA -0.068 4.482 4.550 -0.000 0.000 0.288 391 Y C 1.844 177.739 175.900 -0.007 0.000 1.146 391 Y CA 1.487 59.594 58.100 0.013 0.000 1.164 391 Y CB -0.506 37.958 38.460 0.007 0.000 0.982 391 Y HN 0.237 nan 8.280 nan 0.000 0.515 392 L N -0.684 120.661 121.223 0.203 0.000 2.127 392 L HA -0.210 4.129 4.340 -0.000 0.000 0.211 392 L C 2.833 179.730 176.870 0.046 0.000 1.089 392 L CA 2.078 57.005 54.840 0.145 0.000 0.757 392 L CB -1.123 41.049 42.059 0.187 0.000 0.899 392 L HN 0.278 nan 8.230 nan 0.000 0.434 393 S N -1.641 114.004 115.700 -0.091 0.000 2.348 393 S HA -0.127 4.343 4.470 -0.000 0.000 0.219 393 S C 1.958 176.403 174.600 -0.258 0.000 1.033 393 S CA 1.025 59.086 58.200 -0.232 0.000 0.974 393 S CB -0.148 62.772 63.200 -0.466 0.000 0.868 393 S HN 0.622 nan 8.310 nan 0.000 0.459 394 H N -0.020 119.009 119.070 -0.069 0.000 2.399 394 H HA 0.202 4.758 4.556 -0.000 0.000 0.300 394 H C 2.541 177.772 175.328 -0.161 0.000 1.048 394 H CA 0.969 56.955 56.048 -0.103 0.000 1.370 394 H CB 0.101 29.808 29.762 -0.091 0.000 1.428 394 H HN 0.298 nan 8.280 nan 0.000 0.534 395 Q N 0.836 120.504 119.800 -0.219 0.000 2.013 395 Q HA 0.036 4.376 4.340 -0.000 0.000 0.195 395 Q C 2.202 178.072 176.000 -0.217 0.000 0.974 395 Q CA 0.785 56.383 55.803 -0.340 0.000 0.826 395 Q CB -0.226 28.002 28.738 -0.849 0.000 0.895 395 Q HN 0.442 nan 8.270 nan 0.000 0.448 396 L N 1.516 122.614 121.223 -0.209 0.000 2.610 396 L HA 0.029 4.369 4.340 -0.000 0.000 0.232 396 L C 0.319 177.209 176.870 0.032 0.000 1.149 396 L CA 0.085 54.900 54.840 -0.042 0.000 0.872 396 L CB -0.389 41.688 42.059 0.029 0.000 0.992 396 L HN 0.400 nan 8.230 nan 0.000 0.447 397 D N 0.948 121.358 120.400 0.018 0.000 2.735 397 D HA -0.281 4.359 4.640 -0.000 0.000 0.235 397 D C -0.489 175.891 176.300 0.135 0.000 1.175 397 D CA 0.347 54.376 54.000 0.049 0.000 0.683 397 D CB -0.621 40.199 40.800 0.033 0.000 1.008 397 D HN 0.164 nan 8.370 nan 0.000 0.416 398 F N 2.311 122.235 119.950 -0.044 0.000 2.318 398 F HA 0.367 4.894 4.527 -0.000 0.000 0.356 398 F C 0.615 176.396 175.800 -0.032 0.000 1.109 398 F CA -0.790 57.194 58.000 -0.026 0.000 1.234 398 F CB 0.122 39.112 39.000 -0.016 0.000 1.545 398 F HN -0.017 nan 8.300 nan 0.000 0.534 399 N N 2.047 120.630 118.700 -0.195 0.000 2.193 399 N HA 0.175 4.915 4.740 -0.000 0.000 0.210 399 N C -0.966 174.409 175.510 -0.225 0.000 1.215 399 N CA 0.407 53.335 53.050 -0.202 0.000 0.901 399 N CB 1.688 40.119 38.487 -0.093 0.000 1.060 399 N HN 0.180 nan 8.380 nan 0.000 0.508 400 V N 1.914 121.684 119.914 -0.240 0.000 2.623 400 V HA 0.381 4.501 4.120 -0.000 0.000 0.304 400 V C -1.280 174.693 176.094 -0.201 0.000 1.054 400 V CA -0.745 61.447 62.300 -0.179 0.000 0.882 400 V CB 2.836 34.612 31.823 -0.078 0.000 1.002 400 V HN -0.101 nan 8.190 nan 0.000 0.424 401 L N 5.795 126.906 121.223 -0.187 0.000 2.324 401 L HA 0.527 4.867 4.340 -0.000 0.000 0.274 401 L C 0.291 177.136 176.870 -0.041 0.000 1.012 401 L CA -0.381 54.392 54.840 -0.112 0.000 0.859 401 L CB 0.571 42.547 42.059 -0.140 0.000 1.224 401 L HN 0.894 nan 8.230 nan 0.000 0.429 402 N N 3.112 121.806 118.700 -0.010 0.000 2.724 402 N HA -0.348 4.392 4.740 -0.000 0.000 0.293 402 N C 0.519 176.022 175.510 -0.012 0.000 1.090 402 N CA 0.909 53.958 53.050 -0.003 0.000 0.793 402 N CB -1.116 37.376 38.487 0.009 0.000 0.958 402 N HN 0.842 nan 8.380 nan 0.000 0.575 403 N N -1.786 116.905 118.700 -0.015 0.000 1.961 403 N HA -0.265 4.475 4.740 -0.000 0.000 0.215 403 N C -0.816 174.682 175.510 -0.021 0.000 0.579 403 N CA 2.032 55.074 53.050 -0.014 0.000 4.210 403 N CB -0.744 37.740 38.487 -0.005 0.000 0.734 403 N HN 0.540 nan 8.380 nan 0.000 0.239 404 K N 2.691 123.077 120.400 -0.024 0.000 2.511 404 K HA 0.020 4.340 4.320 -0.000 0.000 0.277 404 K C -2.346 174.222 176.600 -0.055 0.000 1.025 404 K CA -0.201 56.068 56.287 -0.030 0.000 1.112 404 K CB -0.331 32.151 32.500 -0.030 0.000 0.859 404 K HN 0.365 nan 8.250 nan 0.000 0.485 405 P HA 0.091 nan 4.420 nan 0.000 0.279 405 P C -0.269 176.980 177.300 -0.087 0.000 1.239 405 P CA -0.479 62.586 63.100 -0.059 0.000 0.789 405 P CB 0.740 32.437 31.700 -0.006 0.000 0.933 406 V N 3.098 122.919 119.914 -0.156 0.000 2.572 406 V HA 0.107 4.227 4.120 -0.000 0.000 0.291 406 V C 1.332 177.366 176.094 -0.100 0.000 1.039 406 V CA 0.234 62.415 62.300 -0.199 0.000 1.055 406 V CB 0.411 31.995 31.823 -0.398 0.000 0.969 406 V HN 0.756 nan 8.190 nan 0.000 0.482 407 S N 4.787 120.438 115.700 -0.082 0.000 2.652 407 S HA 0.364 4.834 4.470 -0.000 0.000 0.270 407 S C 0.762 175.307 174.600 -0.091 0.000 1.243 407 S CA -0.591 57.572 58.200 -0.063 0.000 0.999 407 S CB 1.345 64.508 63.200 -0.062 0.000 0.973 407 S HN 0.547 nan 8.310 nan 0.000 0.544 408 L N 2.672 123.810 121.223 -0.142 0.000 2.083 408 L HA 0.158 4.498 4.340 -0.000 0.000 0.209 408 L C 2.302 179.047 176.870 -0.208 0.000 1.083 408 L CA 2.448 57.156 54.840 -0.220 0.000 0.752 408 L CB -1.453 40.316 42.059 -0.483 0.000 0.899 408 L HN 0.997 nan 8.230 nan 0.000 0.433 409 G N -1.420 107.251 108.800 -0.216 0.000 2.459 409 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 409 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 409 G C 1.410 176.232 174.900 -0.130 0.000 1.183 409 G CA 0.768 45.739 45.100 -0.215 0.000 0.776 409 G HN 0.528 nan 8.290 nan 0.000 0.552 410 Q N 0.255 120.007 119.800 -0.079 0.000 2.096 410 Q HA -0.217 4.123 4.340 -0.000 0.000 0.208 410 Q C 3.019 179.049 176.000 0.051 0.000 0.993 410 Q CA 1.617 57.412 55.803 -0.014 0.000 0.862 410 Q CB -0.363 28.362 28.738 -0.021 0.000 0.915 410 Q HN 0.498 nan 8.270 nan 0.000 0.416 411 A N 0.806 123.652 122.820 0.044 0.000 1.873 411 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 411 A C 2.122 179.738 177.584 0.053 0.000 1.186 411 A CA 1.095 53.205 52.037 0.123 0.000 0.616 411 A CB -0.740 18.317 19.000 0.095 0.000 0.823 411 A HN 0.283 nan 8.150 nan 0.000 0.442 412 L N -0.877 120.329 121.223 -0.029 0.000 2.012 412 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 412 L C 2.679 179.546 176.870 -0.005 0.000 1.073 412 L CA 1.939 56.756 54.840 -0.040 0.000 0.748 412 L CB -0.528 41.416 42.059 -0.192 0.000 0.891 412 L HN 0.504 nan 8.230 nan 0.000 0.431 413 E N -0.435 119.748 120.200 -0.028 0.000 2.038 413 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 413 E C 2.243 178.858 176.600 0.025 0.000 1.000 413 E CA 1.497 57.901 56.400 0.007 0.000 0.803 413 E CB -0.061 29.637 29.700 -0.004 0.000 0.750 413 E HN 0.183 nan 8.360 nan 0.000 0.448 414 V N 0.466 120.401 119.914 0.035 0.000 2.546 414 V HA -0.249 3.871 4.120 -0.000 0.000 0.254 414 V C 2.105 178.182 176.094 -0.028 0.000 1.076 414 V CA 1.272 63.578 62.300 0.009 0.000 1.087 414 V CB -0.184 31.656 31.823 0.028 0.000 0.674 414 V HN 0.177 nan 8.190 nan 0.000 0.470 415 V N -0.620 119.291 119.914 -0.005 0.000 2.346 415 V HA -0.169 3.951 4.120 -0.000 0.000 0.244 415 V C 2.102 178.169 176.094 -0.044 0.000 1.037 415 V CA 1.874 64.157 62.300 -0.027 0.000 1.029 415 V CB -0.324 31.502 31.823 0.004 0.000 0.663 415 V HN 0.417 nan 8.190 nan 0.000 0.454 416 I N -0.247 120.340 120.570 0.029 0.000 2.163 416 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 416 I C 2.684 178.780 176.117 -0.036 0.000 1.085 416 I CA 1.720 63.054 61.300 0.057 0.000 1.347 416 I CB -0.322 37.804 38.000 0.211 0.000 1.044 416 I HN 0.355 nan 8.210 nan 0.000 0.408 417 Q N 0.138 119.933 119.800 -0.008 0.000 2.045 417 Q HA -0.254 4.085 4.340 -0.000 0.000 0.206 417 Q C 2.192 178.152 176.000 -0.067 0.000 0.991 417 Q CA 1.810 57.601 55.803 -0.020 0.000 0.851 417 Q CB -0.187 28.545 28.738 -0.009 0.000 0.911 417 Q HN 0.320 nan 8.270 nan 0.000 0.418 418 L N 0.397 121.565 121.223 -0.092 0.000 2.265 418 L HA -0.197 4.143 4.340 -0.000 0.000 0.215 418 L C 2.066 178.840 176.870 -0.161 0.000 1.117 418 L CA 1.457 56.232 54.840 -0.109 0.000 0.782 418 L CB -0.267 41.722 42.059 -0.116 0.000 0.914 418 L HN 0.208 nan 8.230 nan 0.000 0.441 419 Q N -0.851 118.766 119.800 -0.306 0.000 2.269 419 Q HA -0.081 4.259 4.340 -0.000 0.000 0.201 419 Q C 2.061 177.814 176.000 -0.412 0.000 0.946 419 Q CA 0.798 56.267 55.803 -0.557 0.000 0.877 419 Q CB 0.044 27.972 28.738 -1.351 0.000 0.963 419 Q HN 0.568 nan 8.270 nan 0.000 0.472 420 E N 0.545 120.607 120.200 -0.230 0.000 2.033 420 E HA -0.088 4.262 4.350 -0.000 0.000 0.189 420 E C 1.849 178.441 176.600 -0.013 0.000 0.979 420 E CA 0.431 56.810 56.400 -0.034 0.000 0.802 420 E CB 0.032 29.751 29.700 0.032 0.000 0.763 420 E HN 0.021 nan 8.360 nan 0.000 0.449 421 K N 0.685 121.072 120.400 -0.022 0.000 2.228 421 K HA -0.262 4.058 4.320 -0.000 0.000 0.205 421 K C 1.960 178.568 176.600 0.015 0.000 1.045 421 K CA 1.759 58.042 56.287 -0.007 0.000 0.931 421 K CB -0.185 32.306 32.500 -0.016 0.000 0.727 421 K HN 0.278 nan 8.250 nan 0.000 0.458 422 H N -0.675 118.348 119.070 -0.078 0.000 2.355 422 H HA 0.025 4.581 4.556 -0.000 0.000 0.303 422 H C 1.920 177.232 175.328 -0.027 0.000 1.061 422 H CA 1.436 57.448 56.048 -0.060 0.000 1.368 422 H CB -0.159 29.550 29.762 -0.088 0.000 1.412 422 H HN -0.107 nan 8.280 nan 0.000 0.523 423 V N 1.532 121.376 119.914 -0.116 0.000 2.317 423 V HA -0.318 3.802 4.120 -0.000 0.000 0.251 423 V C 2.262 178.289 176.094 -0.111 0.000 1.065 423 V CA 2.384 64.614 62.300 -0.117 0.000 1.049 423 V CB -0.471 31.392 31.823 0.066 0.000 0.651 423 V HN 0.461 nan 8.190 nan 0.000 0.450 424 K N -0.524 119.840 120.400 -0.061 0.000 1.973 424 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 424 K C 1.984 178.556 176.600 -0.048 0.000 1.045 424 K CA 1.574 57.842 56.287 -0.031 0.000 0.937 424 K CB -0.507 31.987 32.500 -0.011 0.000 0.721 424 K HN 0.345 nan 8.250 nan 0.000 0.438 425 D N 0.986 121.346 120.400 -0.068 0.000 2.244 425 D HA -0.198 4.442 4.640 -0.000 0.000 0.197 425 D C 1.841 178.097 176.300 -0.073 0.000 1.006 425 D CA 1.203 55.168 54.000 -0.057 0.000 0.888 425 D CB -0.012 40.761 40.800 -0.045 0.000 0.912 425 D HN 0.215 nan 8.370 nan 0.000 0.452 426 E N 0.520 120.619 120.200 -0.167 0.000 2.001 426 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 426 E C 2.222 178.831 176.600 0.016 0.000 0.994 426 E CA 0.640 56.962 56.400 -0.130 0.000 0.815 426 E CB -0.472 29.084 29.700 -0.240 0.000 0.770 426 E HN 0.411 nan 8.360 nan 0.000 0.453 427 Q N 0.452 120.282 119.800 0.051 0.000 2.096 427 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 427 Q C 2.371 178.578 176.000 0.345 0.000 0.993 427 Q CA 1.459 57.402 55.803 0.233 0.000 0.862 427 Q CB -0.290 28.578 28.738 0.218 0.000 0.915 427 Q HN 0.260 nan 8.270 nan 0.000 0.416 428 I N 0.846 121.524 120.570 0.180 0.000 2.077 428 I HA -0.353 3.817 4.170 -0.000 0.000 0.231 428 I C 1.939 178.157 176.117 0.168 0.000 1.011 428 I CA 1.942 63.333 61.300 0.153 0.000 1.304 428 I CB -0.476 37.565 38.000 0.068 0.000 1.019 428 I HN 0.339 nan 8.210 nan 0.000 0.388 429 E N 0.040 120.302 120.200 0.103 0.000 2.482 429 E HA -0.203 4.146 4.350 -0.000 0.000 0.200 429 E C 1.517 178.173 176.600 0.094 0.000 1.147 429 E CA 0.771 57.217 56.400 0.076 0.000 0.912 429 E CB -0.445 29.279 29.700 0.040 0.000 0.938 429 E HN 0.633 nan 8.360 nan 0.000 0.519 430 H N -0.597 118.487 119.070 0.024 0.000 2.348 430 H HA 0.027 4.582 4.556 -0.000 0.000 0.313 430 H C 0.758 176.018 175.328 -0.114 0.000 1.051 430 H CA 0.701 56.699 56.048 -0.084 0.000 1.420 430 H CB -0.300 29.367 29.762 -0.159 0.000 1.484 430 H HN 0.327 nan 8.280 nan 0.000 0.609 431 W N 2.151 123.466 121.300 0.025 0.000 2.363 431 W HA -0.018 4.642 4.660 -0.000 0.000 0.296 431 W C 2.710 179.189 176.519 -0.066 0.000 1.212 431 W CA 0.758 58.074 57.345 -0.048 0.000 1.260 431 W CB -0.153 29.329 29.460 0.036 0.000 1.131 431 W HN 0.169 nan 8.180 nan 0.000 0.530 432 K N 1.003 121.507 120.400 0.172 0.000 2.280 432 K HA -0.183 4.137 4.320 -0.000 0.000 0.202 432 K C 1.917 178.523 176.600 0.011 0.000 1.047 432 K CA 1.052 57.389 56.287 0.082 0.000 0.942 432 K CB -0.158 32.384 32.500 0.070 0.000 0.739 432 K HN 0.048 nan 8.250 nan 0.000 0.457 433 K N 0.347 120.717 120.400 -0.051 0.000 2.379 433 K HA 0.071 4.391 4.320 -0.000 0.000 0.194 433 K C 1.650 178.159 176.600 -0.152 0.000 1.031 433 K CA 0.123 56.346 56.287 -0.106 0.000 1.037 433 K CB 0.314 32.732 32.500 -0.137 0.000 0.824 433 K HN 0.127 nan 8.250 nan 0.000 0.516 434 I N 0.560 121.030 120.570 -0.166 0.000 2.385 434 I HA -0.205 3.965 4.170 -0.000 0.000 0.244 434 I C 2.180 178.271 176.117 -0.043 0.000 1.089 434 I CA 0.591 61.804 61.300 -0.145 0.000 1.410 434 I CB -0.212 37.675 38.000 -0.188 0.000 1.117 434 I HN -0.072 nan 8.210 nan 0.000 0.429 435 V N -0.063 119.860 119.914 0.014 0.000 2.250 435 V HA -0.365 3.755 4.120 -0.000 0.000 0.250 435 V C 2.418 178.511 176.094 -0.003 0.000 1.060 435 V CA 2.288 64.601 62.300 0.022 0.000 1.030 435 V CB -1.260 30.585 31.823 0.037 0.000 0.643 435 V HN 0.349 nan 8.190 nan 0.000 0.445 436 K N 0.159 120.551 120.400 -0.012 0.000 2.218 436 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 436 K C 2.154 178.738 176.600 -0.026 0.000 1.046 436 K CA 2.061 58.337 56.287 -0.018 0.000 0.933 436 K CB -0.410 32.077 32.500 -0.021 0.000 0.728 436 K HN 0.698 nan 8.250 nan 0.000 0.454 437 T N -0.234 114.297 114.554 -0.038 0.000 2.852 437 T HA -0.081 4.269 4.350 -0.000 0.000 0.256 437 T C 1.614 176.295 174.700 -0.031 0.000 1.038 437 T CA 0.895 62.970 62.100 -0.042 0.000 1.141 437 T CB -0.136 68.695 68.868 -0.061 0.000 0.869 437 T HN 0.193 nan 8.240 nan 0.000 0.439 438 Q N 1.234 121.020 119.800 -0.024 0.000 2.112 438 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 438 Q C 2.024 178.017 176.000 -0.010 0.000 0.987 438 Q CA 1.624 57.419 55.803 -0.012 0.000 0.858 438 Q CB -0.195 28.544 28.738 0.002 0.000 0.905 438 Q HN 0.520 nan 8.270 nan 0.000 0.420 439 E N -0.575 119.620 120.200 -0.008 0.000 2.396 439 E HA -0.196 4.154 4.350 -0.000 0.000 0.200 439 E C 1.289 177.882 176.600 -0.012 0.000 1.023 439 E CA 0.834 57.230 56.400 -0.007 0.000 0.857 439 E CB 0.163 29.860 29.700 -0.005 0.000 0.775 439 E HN 0.429 nan 8.360 nan 0.000 0.525 440 E N -0.343 119.846 120.200 -0.018 0.000 2.057 440 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 440 E C 1.996 178.582 176.600 -0.024 0.000 0.969 440 E CA 0.193 56.580 56.400 -0.022 0.000 0.812 440 E CB -0.077 29.607 29.700 -0.026 0.000 0.777 440 E HN 0.134 nan 8.360 nan 0.000 0.455 441 L N 2.408 123.616 121.223 -0.026 0.000 2.051 441 L HA -0.259 4.081 4.340 -0.000 0.000 0.214 441 L C 2.259 179.115 176.870 -0.023 0.000 1.076 441 L CA 1.852 56.675 54.840 -0.028 0.000 0.758 441 L CB -0.289 41.755 42.059 -0.025 0.000 0.890 441 L HN -0.020 nan 8.230 nan 0.000 0.433 442 K N -0.634 119.756 120.400 -0.016 0.000 2.002 442 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 442 K C 2.046 178.639 176.600 -0.012 0.000 1.048 442 K CA 1.898 58.178 56.287 -0.011 0.000 0.930 442 K CB -0.180 32.317 32.500 -0.006 0.000 0.714 442 K HN 0.467 nan 8.250 nan 0.000 0.438 443 E N 0.546 120.738 120.200 -0.014 0.000 2.070 443 E HA -0.236 4.113 4.350 -0.000 0.000 0.197 443 E C 2.099 178.687 176.600 -0.020 0.000 1.004 443 E CA 1.262 57.654 56.400 -0.014 0.000 0.805 443 E CB -0.123 29.569 29.700 -0.014 0.000 0.744 443 E HN 0.157 nan 8.360 nan 0.000 0.451 444 L N 1.024 122.230 121.223 -0.029 0.000 1.971 444 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 444 L C 2.227 179.069 176.870 -0.045 0.000 1.072 444 L CA 1.632 56.446 54.840 -0.044 0.000 0.758 444 L CB -0.423 41.602 42.059 -0.056 0.000 0.889 444 L HN 0.172 nan 8.230 nan 0.000 0.433 445 L N -0.594 120.607 121.223 -0.036 0.000 2.187 445 L HA -0.221 4.118 4.340 -0.000 0.000 0.213 445 L C 2.207 179.073 176.870 -0.006 0.000 1.100 445 L CA 0.935 55.759 54.840 -0.026 0.000 0.765 445 L CB -0.923 41.126 42.059 -0.017 0.000 0.904 445 L HN 0.443 nan 8.230 nan 0.000 0.437 446 N N 0.486 119.183 118.700 -0.005 0.000 2.092 446 N HA -0.161 4.579 4.740 -0.000 0.000 0.189 446 N C 1.790 177.306 175.510 0.010 0.000 1.040 446 N CA 1.059 54.112 53.050 0.005 0.000 0.845 446 N CB -0.163 38.326 38.487 0.002 0.000 1.017 446 N HN 0.233 nan 8.380 nan 0.000 0.426 447 K N 0.558 120.959 120.400 0.001 0.000 2.103 447 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 447 K C 2.024 178.636 176.600 0.021 0.000 1.048 447 K CA 1.011 57.302 56.287 0.006 0.000 0.930 447 K CB -0.026 32.469 32.500 -0.007 0.000 0.716 447 K HN 0.123 nan 8.250 nan 0.000 0.444 448 M N -0.164 119.437 119.600 0.001 0.000 2.175 448 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 448 M C 2.029 178.418 176.300 0.148 0.000 1.063 448 M CA 0.985 56.295 55.300 0.017 0.000 1.119 448 M CB 0.144 32.677 32.600 -0.113 0.000 1.377 448 M HN 0.022 nan 8.290 nan 0.000 0.415 449 V N 0.986 120.953 119.914 0.088 0.000 2.270 449 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 449 V C 1.692 177.829 176.094 0.071 0.000 1.043 449 V CA 1.683 64.034 62.300 0.085 0.000 1.014 449 V CB -0.684 31.167 31.823 0.047 0.000 0.645 449 V HN 0.482 nan 8.190 nan 0.000 0.447 450 N N -0.123 118.609 118.700 0.054 0.000 2.585 450 N HA -0.086 4.654 4.740 -0.000 0.000 0.188 450 N C 1.340 176.880 175.510 0.051 0.000 1.102 450 N CA 0.715 53.789 53.050 0.041 0.000 0.920 450 N CB -0.104 38.401 38.487 0.029 0.000 0.963 450 N HN 0.301 nan 8.380 nan 0.000 0.447 451 L N 1.141 122.418 121.223 0.091 0.000 2.130 451 L HA 0.070 4.410 4.340 -0.000 0.000 0.200 451 L C 2.201 179.097 176.870 0.043 0.000 1.075 451 L CA 1.365 56.270 54.840 0.108 0.000 0.768 451 L CB -0.572 41.630 42.059 0.238 0.000 0.933 451 L HN -0.067 nan 8.230 nan 0.000 0.451 452 K N -0.498 119.925 120.400 0.038 0.000 2.059 452 K HA -0.296 4.024 4.320 -0.000 0.000 0.212 452 K C 2.017 178.587 176.600 -0.050 0.000 1.050 452 K CA 1.944 58.180 56.287 -0.085 0.000 0.927 452 K CB -0.001 32.469 32.500 -0.050 0.000 0.714 452 K HN 0.162 nan 8.250 nan 0.000 0.447 453 E N 0.752 120.948 120.200 -0.008 0.000 2.035 453 E HA -0.215 4.135 4.350 -0.000 0.000 0.204 453 E C 1.865 178.461 176.600 -0.007 0.000 1.025 453 E CA 1.848 58.245 56.400 -0.004 0.000 0.835 453 E CB -0.027 29.679 29.700 0.009 0.000 0.764 453 E HN 0.173 nan 8.360 nan 0.000 0.457 454 K N -0.381 120.019 120.400 -0.001 0.000 2.057 454 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 454 K C 2.211 178.803 176.600 -0.013 0.000 1.049 454 K CA 1.247 57.534 56.287 -0.000 0.000 0.931 454 K CB -0.184 32.320 32.500 0.006 0.000 0.714 454 K HN 0.148 nan 8.250 nan 0.000 0.440 455 I N 0.980 121.527 120.570 -0.039 0.000 2.179 455 I HA -0.314 3.855 4.170 -0.000 0.000 0.242 455 I C 2.499 178.586 176.117 -0.050 0.000 1.088 455 I CA 1.203 62.463 61.300 -0.067 0.000 1.357 455 I CB -0.253 37.664 38.000 -0.139 0.000 1.051 455 I HN 0.215 nan 8.210 nan 0.000 0.409 456 K N 1.039 121.403 120.400 -0.060 0.000 2.032 456 K HA -0.259 4.061 4.320 -0.000 0.000 0.209 456 K C 2.061 178.680 176.600 0.033 0.000 1.048 456 K CA 1.695 57.959 56.287 -0.037 0.000 0.927 456 K CB -0.145 32.326 32.500 -0.048 0.000 0.712 456 K HN 0.233 nan 8.250 nan 0.000 0.441 457 E N 0.486 120.699 120.200 0.022 0.000 2.347 457 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 457 E C 1.991 178.618 176.600 0.046 0.000 1.008 457 E CA 0.380 56.800 56.400 0.034 0.000 0.852 457 E CB 0.179 29.891 29.700 0.019 0.000 0.783 457 E HN 0.389 nan 8.360 nan 0.000 0.505 458 L N -0.605 120.646 121.223 0.047 0.000 2.102 458 L HA -0.107 4.233 4.340 -0.000 0.000 0.202 458 L C 2.550 179.475 176.870 0.092 0.000 1.076 458 L CA 1.012 55.882 54.840 0.050 0.000 0.761 458 L CB -0.578 41.492 42.059 0.018 0.000 0.921 458 L HN 0.238 nan 8.230 nan 0.000 0.444 459 H N 0.079 119.144 119.070 -0.008 0.000 2.321 459 H HA -0.304 4.252 4.556 -0.000 0.000 0.295 459 H C 2.233 177.615 175.328 0.089 0.000 1.102 459 H CA 2.391 58.449 56.048 0.017 0.000 1.266 459 H CB 0.069 29.810 29.762 -0.035 0.000 1.363 459 H HN 0.168 nan 8.280 nan 0.000 0.492 460 Q N 0.665 120.542 119.800 0.130 0.000 1.978 460 Q HA -0.272 4.068 4.340 -0.000 0.000 0.211 460 Q C 2.414 178.415 176.000 0.002 0.000 1.013 460 Q CA 2.640 58.474 55.803 0.051 0.000 0.869 460 Q CB -0.483 28.296 28.738 0.067 0.000 0.953 460 Q HN 0.778 nan 8.270 nan 0.000 0.415 461 Q N -1.489 118.328 119.800 0.028 0.000 2.135 461 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 461 Q C 2.016 178.022 176.000 0.011 0.000 0.981 461 Q CA 1.638 57.451 55.803 0.016 0.000 0.856 461 Q CB -0.444 28.311 28.738 0.029 0.000 0.902 461 Q HN 0.602 nan 8.270 nan 0.000 0.425 462 Y N 1.649 121.891 120.300 -0.096 0.000 2.165 462 Y HA -0.290 4.259 4.550 -0.000 0.000 0.286 462 Y C 2.192 178.016 175.900 -0.127 0.000 1.155 462 Y CA 1.701 59.737 58.100 -0.106 0.000 1.164 462 Y CB 0.068 38.455 38.460 -0.121 0.000 0.978 462 Y HN -0.136 nan 8.280 nan 0.000 0.513 463 K N 0.849 121.152 120.400 -0.162 0.000 2.063 463 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 463 K C 1.915 178.393 176.600 -0.204 0.000 1.048 463 K CA 2.173 58.320 56.287 -0.234 0.000 0.928 463 K CB -0.259 32.133 32.500 -0.180 0.000 0.713 463 K HN 0.572 nan 8.250 nan 0.000 0.442 464 E N -0.925 119.194 120.200 -0.135 0.000 2.110 464 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 464 E C 1.728 178.255 176.600 -0.122 0.000 0.988 464 E CA 1.153 57.493 56.400 -0.099 0.000 0.804 464 E CB -0.103 29.563 29.700 -0.057 0.000 0.745 464 E HN 0.370 nan 8.360 nan 0.000 0.458 465 A N 0.382 123.106 122.820 -0.160 0.000 2.123 465 A HA 0.041 4.361 4.320 -0.000 0.000 0.214 465 A C 2.118 179.571 177.584 -0.218 0.000 1.152 465 A CA 0.472 52.419 52.037 -0.150 0.000 0.728 465 A CB 0.105 19.033 19.000 -0.121 0.000 0.814 465 A HN 0.035 nan 8.150 nan 0.000 0.464 466 S N -0.381 115.115 115.700 -0.341 0.000 2.470 466 S HA -0.046 4.424 4.470 -0.000 0.000 0.225 466 S C 1.818 176.302 174.600 -0.194 0.000 1.006 466 S CA 0.563 58.554 58.200 -0.350 0.000 0.934 466 S CB -0.161 62.700 63.200 -0.566 0.000 0.778 466 S HN 0.531 nan 8.310 nan 0.000 0.517 467 E N 1.428 121.537 120.200 -0.152 0.000 2.026 467 E HA -0.126 4.224 4.350 -0.000 0.000 0.206 467 E C 0.853 177.408 176.600 -0.074 0.000 1.028 467 E CA 0.750 57.094 56.400 -0.093 0.000 0.845 467 E CB -1.125 28.532 29.700 -0.073 0.000 0.772 467 E HN 0.260 nan 8.360 nan 0.000 0.462 468 V N 3.993 123.865 119.914 -0.070 0.000 2.864 468 V HA -0.186 3.934 4.120 -0.000 0.000 0.275 468 V C 0.859 176.923 176.094 -0.049 0.000 0.972 468 V CA 0.712 62.981 62.300 -0.051 0.000 1.176 468 V CB -0.940 30.855 31.823 -0.047 0.000 0.838 468 V HN 0.095 nan 8.190 nan 0.000 0.454 469 K N 6.004 126.381 120.400 -0.038 0.000 2.350 469 K HA 0.299 4.619 4.320 -0.000 0.000 0.279 469 K C -2.114 174.471 176.600 -0.026 0.000 1.027 469 K CA -1.499 54.768 56.287 -0.034 0.000 0.969 469 K CB 0.637 33.121 32.500 -0.026 0.000 0.954 469 K HN 0.369 nan 8.250 nan 0.000 0.474 470 P HA 0.119 nan 4.420 nan 0.000 0.269 470 P C -2.367 174.926 177.300 -0.013 0.000 1.209 470 P CA -0.920 62.169 63.100 -0.018 0.000 0.776 470 P CB -0.285 31.404 31.700 -0.017 0.000 0.876 471 P HA 0.315 nan 4.420 nan 0.000 0.293 471 P C -0.530 176.767 177.300 -0.005 0.000 1.300 471 P CA -0.478 62.618 63.100 -0.006 0.000 0.792 471 P CB 0.992 32.690 31.700 -0.004 0.000 0.925 472 R N 1.267 121.765 120.500 -0.004 0.000 2.596 472 R HA 0.477 4.817 4.340 -0.000 0.000 0.267 472 R C 0.016 176.320 176.300 0.007 0.000 1.026 472 R CA -0.885 55.215 56.100 -0.001 0.000 1.087 472 R CB 0.284 30.582 30.300 -0.003 0.000 1.132 472 R HN 0.409 nan 8.270 nan 0.000 0.531 473 D N -0.024 120.381 120.400 0.009 0.000 2.393 473 D HA -0.041 4.599 4.640 -0.000 0.000 0.246 473 D C 0.775 177.092 176.300 0.027 0.000 1.275 473 D CA -0.519 53.490 54.000 0.014 0.000 0.979 473 D CB 0.532 41.339 40.800 0.011 0.000 1.101 473 D HN 0.435 nan 8.370 nan 0.000 0.505 474 I N -0.449 120.139 120.570 0.030 0.000 2.617 474 I HA -0.130 4.040 4.170 -0.000 0.000 0.256 474 I C 2.243 178.416 176.117 0.093 0.000 1.167 474 I CA 1.528 62.860 61.300 0.052 0.000 1.469 474 I CB -0.606 37.415 38.000 0.035 0.000 1.098 474 I HN 0.735 nan 8.210 nan 0.000 0.436 475 T N -1.652 112.943 114.554 0.068 0.000 2.821 475 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 475 T C 1.989 176.783 174.700 0.157 0.000 1.046 475 T CA 0.981 63.145 62.100 0.107 0.000 1.139 475 T CB -0.685 68.212 68.868 0.048 0.000 0.871 475 T HN 0.235 nan 8.240 nan 0.000 0.454 476 A N 1.277 124.149 122.820 0.087 0.000 1.968 476 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 476 A C 2.261 179.875 177.584 0.050 0.000 1.169 476 A CA 1.747 53.819 52.037 0.057 0.000 0.638 476 A CB -0.748 18.265 19.000 0.022 0.000 0.812 476 A HN 0.592 nan 8.150 nan 0.000 0.446 477 E N -0.481 119.759 120.200 0.067 0.000 2.028 477 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 477 E C 1.636 178.283 176.600 0.078 0.000 0.988 477 E CA 1.476 57.909 56.400 0.055 0.000 0.799 477 E CB -0.518 29.216 29.700 0.057 0.000 0.755 477 E HN 0.513 nan 8.360 nan 0.000 0.447 478 F N 0.555 120.508 119.950 0.006 0.000 2.087 478 F HA -0.271 4.256 4.527 0.000 0.000 0.299 478 F C 1.943 177.760 175.800 0.027 0.000 1.100 478 F CA 1.733 59.743 58.000 0.015 0.000 1.226 478 F CB -0.634 38.373 39.000 0.012 0.000 0.983 478 F HN 0.189 nan 8.300 nan 0.000 0.479 479 L N -0.112 121.077 121.223 -0.057 0.000 1.971 479 L HA -0.241 4.099 4.340 -0.000 0.000 0.215 479 L C 2.413 179.197 176.870 -0.144 0.000 1.072 479 L CA 1.958 56.718 54.840 -0.134 0.000 0.758 479 L CB -0.891 41.175 42.059 0.013 0.000 0.889 479 L HN 0.106 nan 8.230 nan 0.000 0.433 480 V N -0.415 119.451 119.914 -0.080 0.000 2.231 480 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 480 V C 2.692 178.811 176.094 0.042 0.000 1.054 480 V CA 1.899 64.174 62.300 -0.042 0.000 1.015 480 V CB -0.781 30.989 31.823 -0.088 0.000 0.638 480 V HN 0.404 nan 8.190 nan 0.000 0.444 481 K N 0.462 120.836 120.400 -0.043 0.000 2.020 481 K HA -0.201 4.119 4.320 -0.000 0.000 0.212 481 K C 2.584 179.130 176.600 -0.090 0.000 1.050 481 K CA 2.081 58.337 56.287 -0.052 0.000 0.929 481 K CB -1.115 31.347 32.500 -0.063 0.000 0.714 481 K HN 0.572 nan 8.250 nan 0.000 0.443 482 S N 1.071 116.573 115.700 -0.330 0.000 2.370 482 S HA -0.143 4.326 4.470 -0.000 0.000 0.226 482 S C 1.833 176.344 174.600 -0.149 0.000 1.033 482 S CA 1.213 59.179 58.200 -0.390 0.000 1.011 482 S CB 0.020 62.623 63.200 -0.996 0.000 0.852 482 S HN 0.144 nan 8.310 nan 0.000 0.457 483 K N 0.558 120.918 120.400 -0.067 0.000 2.148 483 K HA -0.080 4.239 4.320 -0.000 0.000 0.204 483 K C 2.128 178.749 176.600 0.035 0.000 1.050 483 K CA 1.229 57.533 56.287 0.029 0.000 0.942 483 K CB -0.875 31.703 32.500 0.130 0.000 0.724 483 K HN 0.656 nan 8.250 nan 0.000 0.446 484 H N 1.319 120.382 119.070 -0.012 0.000 2.423 484 H HA -0.025 4.531 4.556 -0.000 0.000 0.297 484 H C 2.070 177.330 175.328 -0.113 0.000 1.075 484 H CA 1.197 57.161 56.048 -0.140 0.000 1.342 484 H CB 0.328 30.051 29.762 -0.065 0.000 1.395 484 H HN 0.093 nan 8.280 nan 0.000 0.530 485 R N 0.409 120.965 120.500 0.094 0.000 2.089 485 R HA -0.121 4.219 4.340 -0.000 0.000 0.222 485 R C 1.667 177.949 176.300 -0.031 0.000 1.151 485 R CA 1.545 57.669 56.100 0.041 0.000 0.908 485 R CB -0.324 29.993 30.300 0.028 0.000 0.813 485 R HN 0.222 nan 8.270 nan 0.000 0.440 486 D N 0.863 121.246 120.400 -0.029 0.000 2.585 486 D HA -0.275 4.364 4.640 -0.000 0.000 0.190 486 D C 1.745 178.011 176.300 -0.057 0.000 1.057 486 D CA 1.664 55.645 54.000 -0.032 0.000 0.900 486 D CB -0.301 40.485 40.800 -0.024 0.000 0.900 486 D HN 0.228 nan 8.370 nan 0.000 0.463 487 L N 0.093 121.251 121.223 -0.108 0.000 1.982 487 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 487 L C 2.632 179.409 176.870 -0.155 0.000 1.078 487 L CA 2.188 56.938 54.840 -0.151 0.000 0.749 487 L CB -0.841 41.068 42.059 -0.249 0.000 0.894 487 L HN 0.186 nan 8.230 nan 0.000 0.436 488 T N -2.004 112.421 114.554 -0.215 0.000 2.737 488 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 488 T C 1.851 176.509 174.700 -0.069 0.000 1.040 488 T CA 1.131 63.140 62.100 -0.153 0.000 1.142 488 T CB -0.981 67.803 68.868 -0.140 0.000 0.861 488 T HN 0.431 nan 8.240 nan 0.000 0.456 489 A N 1.993 124.784 122.820 -0.048 0.000 1.892 489 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 489 A C 2.458 180.036 177.584 -0.010 0.000 1.188 489 A CA 1.700 53.726 52.037 -0.018 0.000 0.631 489 A CB -0.923 18.071 19.000 -0.010 0.000 0.822 489 A HN 0.588 nan 8.150 nan 0.000 0.447 490 L N -1.065 120.147 121.223 -0.019 0.000 2.478 490 L HA -0.112 4.228 4.340 -0.000 0.000 0.223 490 L C 2.285 179.167 176.870 0.020 0.000 1.140 490 L CA 0.371 55.213 54.840 0.003 0.000 0.842 490 L CB -0.579 41.476 42.059 -0.006 0.000 0.953 490 L HN 0.514 nan 8.230 nan 0.000 0.452 491 C N 0.057 119.351 119.300 -0.010 0.000 2.522 491 C HA -0.106 4.354 4.460 -0.000 0.000 0.280 491 C C 2.826 177.847 174.990 0.051 0.000 1.303 491 C CA 0.489 59.509 59.018 0.004 0.000 1.709 491 C CB -0.468 27.237 27.740 -0.057 0.000 2.071 491 C HN 0.552 nan 8.230 nan 0.000 0.492 492 K N 1.739 122.152 120.400 0.022 0.000 2.077 492 K HA -0.286 4.034 4.320 -0.000 0.000 0.213 492 K C 1.664 178.287 176.600 0.039 0.000 1.051 492 K CA 2.197 58.499 56.287 0.025 0.000 0.929 492 K CB -0.394 32.112 32.500 0.011 0.000 0.715 492 K HN 0.566 nan 8.250 nan 0.000 0.451 493 E N -0.380 119.847 120.200 0.046 0.000 2.017 493 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 493 E C 2.026 178.665 176.600 0.065 0.000 0.997 493 E CA 1.648 58.075 56.400 0.045 0.000 0.804 493 E CB -0.332 29.395 29.700 0.045 0.000 0.757 493 E HN 0.482 nan 8.360 nan 0.000 0.448 494 Y N 1.977 122.263 120.300 -0.024 0.000 2.315 494 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 494 Y C 1.715 177.601 175.900 -0.023 0.000 1.154 494 Y CA 1.413 59.498 58.100 -0.024 0.000 1.229 494 Y CB 0.128 38.571 38.460 -0.029 0.000 0.980 494 Y HN 0.018 nan 8.280 nan 0.000 0.540 495 D N 0.285 120.780 120.400 0.158 0.000 2.117 495 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 495 D C 1.801 178.084 176.300 -0.028 0.000 0.982 495 D CA 1.652 55.697 54.000 0.075 0.000 0.828 495 D CB -0.207 40.635 40.800 0.069 0.000 0.967 495 D HN 0.577 nan 8.370 nan 0.000 0.464 496 E N -0.147 120.036 120.200 -0.029 0.000 2.204 496 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 496 E C 1.801 178.350 176.600 -0.086 0.000 0.989 496 E CA 0.249 56.622 56.400 -0.045 0.000 0.824 496 E CB 0.138 29.822 29.700 -0.026 0.000 0.756 496 E HN 0.121 nan 8.360 nan 0.000 0.477 497 L N 0.073 121.211 121.223 -0.141 0.000 2.313 497 L HA 0.004 4.344 4.340 -0.000 0.000 0.214 497 L C 2.135 178.860 176.870 -0.242 0.000 1.119 497 L CA 1.047 55.772 54.840 -0.192 0.000 0.809 497 L CB -0.390 41.527 42.059 -0.236 0.000 0.933 497 L HN 0.037 nan 8.230 nan 0.000 0.449 498 A N -0.693 121.958 122.820 -0.283 0.000 2.067 498 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 498 A C 2.218 179.736 177.584 -0.109 0.000 1.156 498 A CA 1.229 53.139 52.037 -0.211 0.000 0.683 498 A CB -0.294 18.601 19.000 -0.175 0.000 0.808 498 A HN 0.450 nan 8.150 nan 0.000 0.455 499 E N -0.073 120.074 120.200 -0.088 0.000 2.001 499 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 499 E C 1.895 178.460 176.600 -0.058 0.000 1.002 499 E CA 2.187 58.553 56.400 -0.056 0.000 0.819 499 E CB -0.756 28.918 29.700 -0.043 0.000 0.769 499 E HN 0.347 nan 8.360 nan 0.000 0.454 500 T N 0.785 115.301 114.554 -0.064 0.000 2.597 500 T HA -0.315 4.035 4.350 -0.000 0.000 0.267 500 T C 1.773 176.436 174.700 -0.061 0.000 1.053 500 T CA 1.794 63.859 62.100 -0.059 0.000 1.165 500 T CB -0.523 68.308 68.868 -0.061 0.000 0.863 500 T HN 0.309 nan 8.240 nan 0.000 0.427 501 Q N 0.128 119.881 119.800 -0.079 0.000 2.118 501 Q HA -0.211 4.129 4.340 -0.000 0.000 0.211 501 Q C 2.538 178.506 176.000 -0.053 0.000 0.998 501 Q CA 2.141 57.901 55.803 -0.072 0.000 0.872 501 Q CB -0.754 27.928 28.738 -0.094 0.000 0.925 501 Q HN 0.639 nan 8.270 nan 0.000 0.414 502 G N 0.574 109.344 108.800 -0.050 0.000 2.440 502 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 502 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 502 G C 1.380 176.260 174.900 -0.034 0.000 1.154 502 G CA 1.025 46.103 45.100 -0.037 0.000 0.767 502 G HN 0.328 nan 8.290 nan 0.000 0.552 503 K N -0.091 120.288 120.400 -0.036 0.000 2.001 503 K HA 0.149 4.469 4.320 -0.000 0.000 0.208 503 K C 2.484 179.063 176.600 -0.035 0.000 1.048 503 K CA 0.638 56.905 56.287 -0.033 0.000 0.932 503 K CB -0.371 32.110 32.500 -0.032 0.000 0.715 503 K HN 0.206 nan 8.250 nan 0.000 0.437 504 L N 1.160 122.360 121.223 -0.038 0.000 2.189 504 L HA -0.227 4.113 4.340 -0.000 0.000 0.214 504 L C 2.122 178.969 176.870 -0.038 0.000 1.097 504 L CA 1.438 56.255 54.840 -0.039 0.000 0.764 504 L CB -0.373 41.662 42.059 -0.040 0.000 0.900 504 L HN 0.322 nan 8.230 nan 0.000 0.436 505 E N -0.296 119.883 120.200 -0.035 0.000 2.250 505 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 505 E C 1.946 178.528 176.600 -0.030 0.000 0.986 505 E CA 0.714 57.095 56.400 -0.031 0.000 0.849 505 E CB 0.290 29.973 29.700 -0.027 0.000 0.797 505 E HN 0.643 nan 8.360 nan 0.000 0.482 506 E N 0.945 121.127 120.200 -0.030 0.000 2.076 506 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 506 E C 1.792 178.372 176.600 -0.035 0.000 0.979 506 E CA 0.575 56.958 56.400 -0.028 0.000 0.807 506 E CB -0.182 29.504 29.700 -0.025 0.000 0.761 506 E HN -0.112 nan 8.360 nan 0.000 0.454 507 K N 0.601 120.977 120.400 -0.039 0.000 2.633 507 K HA -0.045 4.275 4.320 -0.000 0.000 0.193 507 K C 1.097 177.659 176.600 -0.062 0.000 1.033 507 K CA 0.508 56.767 56.287 -0.047 0.000 0.980 507 K CB 0.070 32.543 32.500 -0.046 0.000 0.800 507 K HN 0.310 nan 8.250 nan 0.000 0.493 508 L N -1.214 119.974 121.223 -0.058 0.000 2.685 508 L HA 0.056 4.396 4.340 -0.000 0.000 0.235 508 L C 2.046 178.878 176.870 -0.063 0.000 1.070 508 L CA 0.017 54.815 54.840 -0.070 0.000 0.888 508 L CB 0.085 42.112 42.059 -0.054 0.000 1.203 508 L HN 0.057 nan 8.230 nan 0.000 0.499 509 Q N 0.316 120.089 119.800 -0.044 0.000 2.167 509 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 509 Q C 1.799 177.775 176.000 -0.039 0.000 0.970 509 Q CA 1.544 57.327 55.803 -0.035 0.000 0.855 509 Q CB 0.210 28.934 28.738 -0.024 0.000 0.911 509 Q HN 0.328 nan 8.270 nan 0.000 0.438 510 E N 0.771 120.945 120.200 -0.043 0.000 2.021 510 E HA -0.208 4.141 4.350 -0.000 0.000 0.200 510 E C 1.737 178.307 176.600 -0.050 0.000 1.015 510 E CA 1.399 57.774 56.400 -0.042 0.000 0.824 510 E CB -0.219 29.454 29.700 -0.044 0.000 0.762 510 E HN 0.267 nan 8.360 nan 0.000 0.454 511 L N -0.028 121.143 121.223 -0.086 0.000 2.093 511 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 511 L C 2.553 179.350 176.870 -0.122 0.000 1.085 511 L CA 1.407 56.172 54.840 -0.125 0.000 0.755 511 L CB -0.410 41.483 42.059 -0.277 0.000 0.904 511 L HN 0.231 nan 8.230 nan 0.000 0.435 512 E N 0.096 120.219 120.200 -0.128 0.000 2.274 512 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 512 E C 2.114 178.682 176.600 -0.054 0.000 0.996 512 E CA 1.004 57.336 56.400 -0.114 0.000 0.840 512 E CB 0.098 29.761 29.700 -0.062 0.000 0.772 512 E HN 0.424 nan 8.360 nan 0.000 0.491 513 A N 1.259 124.056 122.820 -0.039 0.000 1.855 513 A HA -0.068 4.252 4.320 -0.000 0.000 0.213 513 A C 0.777 178.344 177.584 -0.028 0.000 1.195 513 A CA 1.060 53.083 52.037 -0.024 0.000 0.610 513 A CB -0.264 18.724 19.000 -0.020 0.000 0.837 513 A HN 0.386 nan 8.150 nan 0.000 0.444 514 N N 1.064 119.743 118.700 -0.034 0.000 2.707 514 N HA 0.361 5.101 4.740 -0.000 0.000 0.235 514 N C -3.220 172.215 175.510 -0.124 0.000 1.028 514 N CA -1.334 51.683 53.050 -0.056 0.000 0.906 514 N CB 1.443 39.906 38.487 -0.041 0.000 1.131 514 N HN 0.185 nan 8.380 nan 0.000 0.509 515 P HA 0.409 nan 4.420 nan 0.000 0.278 515 P C -2.273 174.793 177.300 -0.390 0.000 1.266 515 P CA -0.893 61.885 63.100 -0.537 0.000 0.807 515 P CB 0.425 31.960 31.700 -0.274 0.000 1.094 516 P HA 0.159 nan 4.420 nan 0.000 0.318 516 P C -0.224 177.023 177.300 -0.087 0.000 1.309 516 P CA -0.333 62.647 63.100 -0.199 0.000 0.736 516 P CB 0.047 31.642 31.700 -0.175 0.000 1.440 517 S N -0.230 115.452 115.700 -0.030 0.000 2.564 517 S HA 0.013 4.483 4.470 -0.000 0.000 0.278 517 S C 0.986 175.606 174.600 0.032 0.000 1.333 517 S CA -0.064 58.143 58.200 0.012 0.000 1.048 517 S CB 0.233 63.459 63.200 0.043 0.000 0.900 517 S HN 0.463 nan 8.310 nan 0.000 0.505 518 D N 1.080 121.503 120.400 0.039 0.000 2.123 518 D HA -0.045 4.595 4.640 -0.000 0.000 0.200 518 D C 0.499 176.830 176.300 0.051 0.000 0.976 518 D CA 0.946 54.975 54.000 0.048 0.000 0.831 518 D CB 0.223 41.046 40.800 0.039 0.000 0.974 518 D HN 0.408 nan 8.370 nan 0.000 0.469 519 V N -2.909 117.040 119.914 0.059 0.000 3.147 519 V HA 0.297 4.417 4.120 -0.000 0.000 0.306 519 V C 0.451 176.624 176.094 0.132 0.000 1.209 519 V CA -1.051 61.297 62.300 0.080 0.000 1.023 519 V CB 1.195 33.047 31.823 0.048 0.000 1.059 519 V HN -0.034 nan 8.190 nan 0.000 0.435 520 Y N 3.014 123.335 120.300 0.035 0.000 2.133 520 Y HA 0.394 4.944 4.550 -0.000 0.000 0.287 520 Y C 0.403 176.325 175.900 0.036 0.000 1.134 520 Y CA 1.301 59.428 58.100 0.045 0.000 1.133 520 Y CB 0.163 38.655 38.460 0.055 0.000 0.987 520 Y HN 0.570 nan 8.280 nan 0.000 0.502 521 L N 0.074 121.200 121.223 -0.161 0.000 2.455 521 L HA 0.317 4.657 4.340 -0.000 0.000 0.264 521 L C -0.094 176.734 176.870 -0.070 0.000 0.968 521 L CA -0.894 53.812 54.840 -0.222 0.000 0.827 521 L CB 2.017 43.885 42.059 -0.318 0.000 1.317 521 L HN 0.014 nan 8.230 nan 0.000 0.407 522 S N 0.548 116.211 115.700 -0.062 0.000 2.589 522 S HA 0.161 4.630 4.470 -0.000 0.000 0.265 522 S C 1.172 175.763 174.600 -0.016 0.000 1.342 522 S CA -0.020 58.164 58.200 -0.027 0.000 1.005 522 S CB 1.447 64.629 63.200 -0.029 0.000 0.909 522 S HN 0.608 nan 8.310 nan 0.000 0.555 523 S N 0.817 116.517 115.700 -0.000 0.000 2.372 523 S HA -0.187 4.282 4.470 -0.000 0.000 0.227 523 S C 2.020 176.623 174.600 0.004 0.000 1.044 523 S CA 1.807 60.013 58.200 0.009 0.000 1.050 523 S CB -0.562 62.645 63.200 0.012 0.000 0.901 523 S HN 0.763 nan 8.310 nan 0.000 0.447 524 R N 0.456 120.951 120.500 -0.008 0.000 2.148 524 R HA -0.071 4.269 4.340 -0.000 0.000 0.227 524 R C 1.684 177.969 176.300 -0.025 0.000 1.103 524 R CA 1.453 57.544 56.100 -0.015 0.000 0.983 524 R CB -0.106 30.180 30.300 -0.024 0.000 0.874 524 R HN 0.394 nan 8.270 nan 0.000 0.451 525 D N -0.212 120.166 120.400 -0.037 0.000 2.084 525 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 525 D C 1.701 177.979 176.300 -0.036 0.000 0.981 525 D CA 1.064 55.030 54.000 -0.057 0.000 0.841 525 D CB -0.316 40.423 40.800 -0.102 0.000 0.997 525 D HN 0.045 nan 8.370 nan 0.000 0.454 526 R N 1.123 121.611 120.500 -0.020 0.000 2.397 526 R HA -0.088 4.252 4.340 -0.000 0.000 0.213 526 R C 1.754 178.088 176.300 0.056 0.000 1.102 526 R CA 1.041 57.157 56.100 0.027 0.000 1.040 526 R CB -0.200 30.132 30.300 0.054 0.000 0.844 526 R HN 0.226 nan 8.270 nan 0.000 0.478 527 Q N -0.775 119.047 119.800 0.038 0.000 2.259 527 Q HA 0.112 4.452 4.340 -0.000 0.000 0.201 527 Q C 1.723 177.763 176.000 0.066 0.000 0.938 527 Q CA 1.061 56.896 55.803 0.053 0.000 0.872 527 Q CB 0.168 28.925 28.738 0.032 0.000 0.971 527 Q HN 0.398 nan 8.270 nan 0.000 0.494 528 I N 0.266 120.860 120.570 0.040 0.000 2.233 528 I HA -0.236 3.933 4.170 -0.000 0.000 0.243 528 I C 2.129 178.334 176.117 0.147 0.000 1.093 528 I CA 0.497 61.840 61.300 0.071 0.000 1.380 528 I CB -0.136 37.870 38.000 0.010 0.000 1.067 528 I HN 0.184 nan 8.210 nan 0.000 0.413 529 L N 0.923 122.162 121.223 0.027 0.000 2.081 529 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 529 L C 1.921 178.646 176.870 -0.241 0.000 1.080 529 L CA 2.016 56.772 54.840 -0.141 0.000 0.754 529 L CB -0.724 41.225 42.059 -0.183 0.000 0.893 529 L HN 0.214 nan 8.230 nan 0.000 0.433 530 D N -1.427 118.985 120.400 0.020 0.000 2.117 530 D HA -0.268 4.372 4.640 -0.000 0.000 0.197 530 D C 1.732 178.102 176.300 0.117 0.000 0.987 530 D CA 1.515 55.605 54.000 0.150 0.000 0.829 530 D CB -0.421 40.486 40.800 0.178 0.000 0.961 530 D HN 0.609 nan 8.370 nan 0.000 0.460 531 W N 1.436 122.708 121.300 -0.046 0.000 2.338 531 W HA -0.218 4.442 4.660 0.000 0.000 0.304 531 W C 2.467 178.881 176.519 -0.174 0.000 1.212 531 W CA 1.692 59.010 57.345 -0.044 0.000 1.264 531 W CB -0.288 29.137 29.460 -0.058 0.000 1.142 531 W HN 0.119 nan 8.180 nan 0.000 0.512 532 H N -0.899 118.209 119.070 0.063 0.000 2.290 532 H HA -0.191 4.364 4.556 -0.000 0.000 0.298 532 H C 2.070 177.039 175.328 -0.600 0.000 1.087 532 H CA 2.237 57.998 56.048 -0.478 0.000 1.291 532 H CB -1.101 28.143 29.762 -0.864 0.000 1.369 532 H HN 0.133 nan 8.280 nan 0.000 0.492 533 F N 0.829 120.687 119.950 -0.153 0.000 2.250 533 F HA -0.132 4.395 4.527 -0.000 0.000 0.301 533 F C 2.699 178.357 175.800 -0.237 0.000 1.077 533 F CA 0.707 58.658 58.000 -0.082 0.000 1.348 533 F CB -0.894 38.106 39.000 -0.001 0.000 1.040 533 F HN 0.146 nan 8.300 nan 0.000 0.509 534 A N -0.216 122.460 122.820 -0.240 0.000 1.897 534 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 534 A C 2.248 179.380 177.584 -0.753 0.000 1.181 534 A CA 1.490 53.141 52.037 -0.644 0.000 0.620 534 A CB -0.981 17.414 19.000 -1.007 0.000 0.821 534 A HN 0.415 nan 8.150 nan 0.000 0.443 535 N N -0.584 117.763 118.700 -0.588 0.000 2.205 535 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 535 N C 1.687 177.255 175.510 0.097 0.000 1.015 535 N CA 1.429 54.410 53.050 -0.115 0.000 0.862 535 N CB -0.104 38.182 38.487 -0.334 0.000 0.986 535 N HN 0.374 nan 8.380 nan 0.000 0.429 536 L N 1.782 123.015 121.223 0.017 0.000 2.156 536 L HA -0.045 4.294 4.340 -0.000 0.000 0.208 536 L C 1.999 178.877 176.870 0.013 0.000 1.095 536 L CA 1.386 56.297 54.840 0.118 0.000 0.770 536 L CB -0.225 41.976 42.059 0.236 0.000 0.914 536 L HN 0.122 nan 8.230 nan 0.000 0.439 537 E N -0.750 119.410 120.200 -0.067 0.000 2.047 537 E HA -0.270 4.080 4.350 -0.000 0.000 0.191 537 E C 2.145 178.705 176.600 -0.065 0.000 0.987 537 E CA 1.431 57.758 56.400 -0.122 0.000 0.799 537 E CB -0.642 28.950 29.700 -0.181 0.000 0.752 537 E HN 0.529 nan 8.360 nan 0.000 0.449 538 F N 2.655 122.519 119.950 -0.143 0.000 2.115 538 F HA -0.236 4.291 4.527 -0.000 0.000 0.300 538 F C 2.235 178.119 175.800 0.139 0.000 1.092 538 F CA 1.680 59.691 58.000 0.018 0.000 1.245 538 F CB -0.496 38.619 39.000 0.192 0.000 0.995 538 F HN -0.053 nan 8.300 nan 0.000 0.481 539 A N -0.152 122.379 122.820 -0.482 0.000 2.066 539 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 539 A C 1.745 179.271 177.584 -0.097 0.000 1.157 539 A CA 1.351 53.066 52.037 -0.538 0.000 0.670 539 A CB -0.755 18.138 19.000 -0.178 0.000 0.804 539 A HN 0.652 nan 8.150 nan 0.000 0.453 540 N N -0.626 118.068 118.700 -0.010 0.000 2.204 540 N HA 0.288 5.028 4.740 -0.000 0.000 0.219 540 N C 0.477 175.988 175.510 0.002 0.000 1.151 540 N CA 0.518 53.630 53.050 0.104 0.000 0.867 540 N CB 0.462 38.982 38.487 0.054 0.000 1.043 540 N HN 0.427 nan 8.380 nan 0.000 0.516 541 A N 1.145 123.885 122.820 -0.134 0.000 2.624 541 A HA -0.197 4.123 4.320 -0.000 0.000 0.302 541 A C 0.428 177.817 177.584 -0.325 0.000 1.504 541 A CA 1.703 53.519 52.037 -0.368 0.000 0.804 541 A CB -1.783 16.639 19.000 -0.963 0.000 1.020 541 A HN 0.360 nan 8.150 nan 0.000 0.444 542 T N -2.231 112.130 114.554 -0.322 0.000 2.775 542 T HA 0.550 4.900 4.350 -0.000 0.000 0.320 542 T C -3.351 171.153 174.700 -0.326 0.000 1.597 542 T CA -0.840 61.021 62.100 -0.399 0.000 1.022 542 T CB 1.465 69.827 68.868 -0.844 0.000 1.485 542 T HN -0.037 nan 8.240 nan 0.000 0.494 543 P HA 0.261 nan 4.420 nan 0.000 0.268 543 P C 0.928 178.077 177.300 -0.251 0.000 1.204 543 P CA -0.077 62.894 63.100 -0.215 0.000 0.768 543 P CB 0.281 31.888 31.700 -0.155 0.000 0.842 544 L N 1.818 122.892 121.223 -0.249 0.000 2.549 544 L HA -0.136 4.204 4.340 -0.000 0.000 0.230 544 L C 1.561 178.283 176.870 -0.247 0.000 1.162 544 L CA 1.334 56.000 54.840 -0.290 0.000 0.834 544 L CB -0.891 40.966 42.059 -0.336 0.000 0.947 544 L HN 0.424 nan 8.230 nan 0.000 0.452 545 S N -2.652 112.932 115.700 -0.193 0.000 2.605 545 S HA -0.015 4.455 4.470 -0.000 0.000 0.217 545 S C 1.567 176.111 174.600 -0.094 0.000 0.958 545 S CA 0.381 58.499 58.200 -0.136 0.000 0.919 545 S CB -0.159 62.975 63.200 -0.109 0.000 0.780 545 S HN 0.533 nan 8.310 nan 0.000 0.507 546 T N -0.745 113.738 114.554 -0.118 0.000 2.978 546 T HA 0.386 4.736 4.350 -0.000 0.000 0.248 546 T C 0.486 175.204 174.700 0.031 0.000 1.018 546 T CA -0.420 61.659 62.100 -0.036 0.000 1.026 546 T CB -0.548 68.287 68.868 -0.054 0.000 1.032 546 T HN 0.290 nan 8.240 nan 0.000 0.485 547 L N 3.162 124.335 121.223 -0.083 0.000 2.485 547 L HA 0.298 4.638 4.340 -0.000 0.000 0.275 547 L C 0.857 177.799 176.870 0.119 0.000 1.207 547 L CA -0.438 54.428 54.840 0.043 0.000 0.855 547 L CB 0.567 42.567 42.059 -0.100 0.000 1.114 547 L HN 0.271 nan 8.230 nan 0.000 0.485 548 S N 2.108 117.962 115.700 0.257 0.000 2.545 548 S HA 0.117 4.587 4.470 -0.000 0.000 0.275 548 S C 0.782 175.538 174.600 0.259 0.000 1.299 548 S CA -0.783 57.555 58.200 0.229 0.000 1.048 548 S CB 0.912 64.290 63.200 0.296 0.000 0.938 548 S HN 0.536 nan 8.310 nan 0.000 0.496 549 L N 5.479 126.784 121.223 0.136 0.000 1.994 549 L HA 0.038 4.377 4.340 -0.000 0.000 0.208 549 L C 2.424 179.395 176.870 0.168 0.000 1.071 549 L CA 1.958 56.885 54.840 0.145 0.000 0.745 549 L CB -0.720 41.345 42.059 0.011 0.000 0.892 549 L HN 0.855 nan 8.230 nan 0.000 0.431 550 K N -2.155 118.229 120.400 -0.027 0.000 2.280 550 K HA -0.150 4.170 4.320 -0.000 0.000 0.202 550 K C 1.181 177.571 176.600 -0.350 0.000 1.047 550 K CA 1.290 57.408 56.287 -0.282 0.000 0.942 550 K CB 0.023 32.210 32.500 -0.522 0.000 0.739 550 K HN 0.585 nan 8.250 nan 0.000 0.457 551 H N -2.116 117.048 119.070 0.157 0.000 3.583 551 H HA -0.039 4.517 4.556 -0.000 0.000 0.251 551 H C 1.487 176.863 175.328 0.079 0.000 1.060 551 H CA 0.228 56.332 56.048 0.093 0.000 1.159 551 H CB -0.307 29.520 29.762 0.107 0.000 1.496 551 H HN 0.347 nan 8.280 nan 0.000 0.540 552 W N 3.473 124.873 121.300 0.167 0.000 2.303 552 W HA -0.168 4.492 4.660 -0.000 0.000 0.287 552 W C -0.256 176.327 176.519 0.107 0.000 1.213 552 W CA 1.595 59.023 57.345 0.138 0.000 1.203 552 W CB -0.508 29.011 29.460 0.098 0.000 1.136 552 W HN 0.201 nan 8.180 nan 0.000 0.547 553 D N 0.752 120.698 120.400 -0.757 0.000 2.696 553 D HA -0.008 4.632 4.640 -0.000 0.000 0.269 553 D C 1.582 177.657 176.300 -0.375 0.000 1.319 553 D CA 0.186 53.718 54.000 -0.780 0.000 0.826 553 D CB -0.564 39.357 40.800 -1.464 0.000 1.086 553 D HN 0.308 nan 8.370 nan 0.000 0.481 554 Q N 1.150 120.841 119.800 -0.182 0.000 2.124 554 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 554 Q C 1.127 177.105 176.000 -0.037 0.000 0.977 554 Q CA 1.924 57.683 55.803 -0.074 0.000 0.850 554 Q CB -0.775 27.973 28.738 0.018 0.000 0.901 554 Q HN 0.255 nan 8.270 nan 0.000 0.429 555 D N 0.227 120.584 120.400 -0.072 0.000 2.368 555 D HA -0.136 4.504 4.640 -0.000 0.000 0.250 555 D C 0.144 176.452 176.300 0.013 0.000 1.142 555 D CA 0.607 54.604 54.000 -0.006 0.000 0.925 555 D CB -0.183 40.521 40.800 -0.160 0.000 0.896 555 D HN 0.362 nan 8.370 nan 0.000 0.525 556 D N 0.699 121.037 120.400 -0.103 0.000 2.103 556 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 556 D C 1.037 177.202 176.300 -0.225 0.000 0.978 556 D CA 0.985 54.884 54.000 -0.168 0.000 0.829 556 D CB 0.157 40.831 40.800 -0.210 0.000 0.981 556 D HN 0.096 nan 8.370 nan 0.000 0.464 557 D N -0.557 119.581 120.400 -0.438 0.000 2.378 557 D HA -0.084 4.556 4.640 -0.000 0.000 0.227 557 D C 0.514 176.415 176.300 -0.664 0.000 1.012 557 D CA 0.378 54.027 54.000 -0.585 0.000 0.905 557 D CB -0.059 40.301 40.800 -0.733 0.000 0.895 557 D HN 0.371 nan 8.370 nan 0.000 0.532 558 F N 0.645 120.488 119.950 -0.178 0.000 2.678 558 F HA 0.163 4.690 4.527 -0.000 0.000 0.305 558 F C 1.048 176.710 175.800 -0.229 0.000 1.090 558 F CA -0.756 57.113 58.000 -0.219 0.000 1.272 558 F CB -0.018 38.667 39.000 -0.525 0.000 1.060 558 F HN -0.237 nan 8.300 nan 0.000 0.576 559 E N 1.566 121.719 120.200 -0.079 0.000 2.529 559 E HA -0.041 4.309 4.350 -0.000 0.000 0.259 559 E C -0.479 176.148 176.600 0.045 0.000 0.966 559 E CA -0.176 56.170 56.400 -0.089 0.000 0.937 559 E CB 0.431 30.127 29.700 -0.007 0.000 0.923 559 E HN -0.035 nan 8.360 nan 0.000 0.468 560 F N 2.111 122.126 119.950 0.108 0.000 2.410 560 F HA 0.107 4.634 4.527 -0.000 0.000 0.334 560 F C 1.387 177.274 175.800 0.146 0.000 1.134 560 F CA -0.659 57.395 58.000 0.090 0.000 1.227 560 F CB 0.539 39.545 39.000 0.011 0.000 1.194 560 F HN 0.383 nan 8.300 nan 0.000 0.571 561 T N -0.970 113.819 114.554 0.392 0.000 2.810 561 T HA 0.711 5.061 4.350 -0.000 0.000 0.277 561 T C 0.242 175.096 174.700 0.256 0.000 0.973 561 T CA -0.049 62.230 62.100 0.297 0.000 0.949 561 T CB 1.154 70.208 68.868 0.310 0.000 1.075 561 T HN 1.491 nan 8.240 nan 0.000 0.537 562 G N 0.464 109.381 108.800 0.195 0.000 2.699 562 G HA2 0.202 4.162 3.960 -0.000 0.000 0.686 562 G HA3 0.202 4.162 3.960 -0.000 0.000 0.686 562 G C -0.216 174.798 174.900 0.190 0.000 1.301 562 G CA -0.330 44.869 45.100 0.165 0.000 0.816 562 G HN 1.851 nan 8.290 nan 0.000 0.595 563 S N 0.065 115.862 115.700 0.162 0.000 2.616 563 S HA 0.667 5.137 4.470 -0.000 0.000 0.277 563 S C 0.462 175.233 174.600 0.285 0.000 1.234 563 S CA -0.360 57.945 58.200 0.175 0.000 1.028 563 S CB 0.937 64.200 63.200 0.104 0.000 0.988 563 S HN 0.825 nan 8.310 nan 0.000 0.522 564 H N 0.315 119.464 119.070 0.132 0.000 2.895 564 H HA 0.331 4.887 4.556 -0.000 0.000 0.371 564 H C -0.634 174.765 175.328 0.118 0.000 1.219 564 H CA -0.204 55.930 56.048 0.144 0.000 1.431 564 H CB 0.246 30.115 29.762 0.178 0.000 1.414 564 H HN 0.334 nan 8.280 nan 0.000 0.617 565 L N 0.144 121.492 121.223 0.208 0.000 2.397 565 L HA 0.373 4.713 4.340 -0.000 0.000 0.251 565 L C -0.002 176.906 176.870 0.063 0.000 1.064 565 L CA -0.636 54.272 54.840 0.113 0.000 0.859 565 L CB 2.278 44.374 42.059 0.061 0.000 1.468 565 L HN 0.801 nan 8.230 nan 0.000 0.411 566 T N -2.686 111.875 114.554 0.012 0.000 2.901 566 T HA 0.756 5.106 4.350 -0.000 0.000 0.293 566 T C -0.975 173.671 174.700 -0.091 0.000 1.084 566 T CA -0.771 61.297 62.100 -0.055 0.000 1.008 566 T CB 1.634 70.465 68.868 -0.061 0.000 1.170 566 T HN 0.240 nan 8.240 nan 0.000 0.509 567 V N 2.678 122.519 119.914 -0.122 0.000 2.240 567 V HA 0.374 4.494 4.120 -0.000 0.000 0.265 567 V C 1.768 177.907 176.094 0.075 0.000 1.073 567 V CA -0.725 61.522 62.300 -0.088 0.000 0.857 567 V CB 0.052 31.735 31.823 -0.235 0.000 1.114 567 V HN 0.941 nan 8.190 nan 0.000 0.469 568 R N 3.926 124.471 120.500 0.075 0.000 2.140 568 R HA -0.196 4.144 4.340 -0.000 0.000 0.250 568 R C 1.870 178.322 176.300 0.253 0.000 1.150 568 R CA 2.380 58.577 56.100 0.161 0.000 0.966 568 R CB -0.005 30.356 30.300 0.101 0.000 0.869 568 R HN 0.884 nan 8.270 nan 0.000 0.445 569 N N -0.560 118.231 118.700 0.152 0.000 2.276 569 N HA 0.109 4.849 4.740 -0.000 0.000 0.212 569 N C -0.363 175.215 175.510 0.113 0.000 1.127 569 N CA 0.775 53.898 53.050 0.121 0.000 0.834 569 N CB 0.575 39.107 38.487 0.075 0.000 1.014 569 N HN 0.279 nan 8.380 nan 0.000 0.491 570 G N 0.381 109.278 108.800 0.162 0.000 3.039 570 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.686 570 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.686 570 G C -0.287 174.730 174.900 0.196 0.000 1.066 570 G CA -0.386 44.813 45.100 0.165 0.000 0.774 570 G HN 0.093 nan 8.290 nan 0.000 0.591 571 Y N 2.307 122.669 120.300 0.103 0.000 2.274 571 Y HA -0.171 4.379 4.550 -0.000 0.000 0.290 571 Y C 3.131 179.067 175.900 0.059 0.000 1.145 571 Y CA 2.377 60.525 58.100 0.080 0.000 1.203 571 Y CB -0.427 38.080 38.460 0.077 0.000 0.984 571 Y HN 1.060 nan 8.280 nan 0.000 0.533 572 S N -0.621 115.218 115.700 0.232 0.000 2.407 572 S HA -0.314 4.156 4.470 -0.000 0.000 0.235 572 S C 2.369 177.032 174.600 0.104 0.000 1.036 572 S CA 1.402 59.674 58.200 0.119 0.000 1.013 572 S CB -1.965 61.285 63.200 0.083 0.000 0.820 572 S HN 0.671 nan 8.310 nan 0.000 0.476 573 C N 0.998 120.370 119.300 0.120 0.000 2.397 573 C HA -0.100 4.360 4.460 -0.000 0.000 0.279 573 C C 2.281 177.323 174.990 0.088 0.000 1.206 573 C CA 0.575 59.647 59.018 0.089 0.000 1.818 573 C CB -2.003 25.789 27.740 0.087 0.000 2.087 573 C HN 0.464 nan 8.230 nan 0.000 0.488 574 V N 2.694 122.688 119.914 0.133 0.000 2.239 574 V HA -0.049 4.071 4.120 -0.000 0.000 0.242 574 V C 0.599 176.718 176.094 0.041 0.000 1.038 574 V CA 2.448 64.811 62.300 0.105 0.000 1.002 574 V CB -1.840 30.088 31.823 0.174 0.000 0.641 574 V HN 0.309 nan 8.190 nan 0.000 0.449 575 P HA -0.141 nan 4.420 nan 0.000 0.214 575 P C 1.947 179.243 177.300 -0.006 0.000 1.163 575 P CA 1.618 64.713 63.100 -0.010 0.000 0.889 575 P CB -0.257 31.431 31.700 -0.020 0.000 0.790 576 V N 0.507 120.425 119.914 0.005 0.000 2.370 576 V HA -0.292 3.828 4.120 -0.000 0.000 0.252 576 V C 2.713 178.801 176.094 -0.009 0.000 1.068 576 V CA 2.440 64.739 62.300 -0.002 0.000 1.061 576 V CB -1.775 30.052 31.823 0.006 0.000 0.656 576 V HN 0.152 nan 8.190 nan 0.000 0.455 577 A N -0.665 122.154 122.820 -0.002 0.000 1.898 577 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 577 A C 2.166 179.732 177.584 -0.030 0.000 1.183 577 A CA 1.121 53.150 52.037 -0.012 0.000 0.622 577 A CB -0.372 18.627 19.000 -0.002 0.000 0.824 577 A HN 0.482 nan 8.150 nan 0.000 0.444 578 L N -0.428 120.779 121.223 -0.026 0.000 2.083 578 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 578 L C 2.987 179.825 176.870 -0.055 0.000 1.083 578 L CA 1.054 55.867 54.840 -0.044 0.000 0.752 578 L CB -0.558 41.482 42.059 -0.032 0.000 0.899 578 L HN 0.423 nan 8.230 nan 0.000 0.433 579 A N -0.816 121.978 122.820 -0.044 0.000 2.131 579 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 579 A C 1.343 178.897 177.584 -0.050 0.000 1.158 579 A CA 0.739 52.747 52.037 -0.048 0.000 0.665 579 A CB -0.505 18.472 19.000 -0.040 0.000 0.795 579 A HN 0.386 nan 8.150 nan 0.000 0.460 580 E N 0.061 120.231 120.200 -0.049 0.000 2.265 580 E HA 0.323 4.673 4.350 -0.000 0.000 0.272 580 E C 0.795 177.364 176.600 -0.053 0.000 1.067 580 E CA 0.630 57.003 56.400 -0.046 0.000 0.900 580 E CB -0.090 29.586 29.700 -0.040 0.000 1.017 580 E HN 0.744 nan 8.360 nan 0.000 0.431 581 G N 4.231 113.004 108.800 -0.046 0.000 2.131 581 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.223 581 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.223 581 G C -0.019 174.852 174.900 -0.049 0.000 0.990 581 G CA 0.124 45.197 45.100 -0.044 0.000 0.671 581 G HN 0.457 nan 8.290 nan 0.000 0.521 582 L N 0.170 121.362 121.223 -0.052 0.000 2.334 582 L HA 0.522 4.862 4.340 -0.000 0.000 0.273 582 L C -0.341 176.497 176.870 -0.054 0.000 1.013 582 L CA -1.022 53.783 54.840 -0.058 0.000 0.816 582 L CB 1.677 43.696 42.059 -0.068 0.000 1.278 582 L HN 0.072 nan 8.230 nan 0.000 0.431 583 D N 3.116 123.483 120.400 -0.055 0.000 2.402 583 D HA 0.333 4.973 4.640 -0.000 0.000 0.235 583 D C -0.611 175.645 176.300 -0.074 0.000 1.226 583 D CA 0.134 54.102 54.000 -0.052 0.000 0.918 583 D CB 0.124 40.900 40.800 -0.040 0.000 1.043 583 D HN 0.215 nan 8.370 nan 0.000 0.506 584 I N 3.632 124.157 120.570 -0.075 0.000 2.406 584 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 584 I C -0.012 176.039 176.117 -0.109 0.000 0.999 584 I CA -1.159 60.082 61.300 -0.098 0.000 1.124 584 I CB 1.592 39.539 38.000 -0.088 0.000 1.289 584 I HN -0.118 nan 8.210 nan 0.000 0.441 585 K N 7.626 127.936 120.400 -0.150 0.000 2.266 585 K HA 0.504 4.824 4.320 -0.000 0.000 0.274 585 K C -0.343 176.146 176.600 -0.185 0.000 1.090 585 K CA -0.399 55.787 56.287 -0.168 0.000 0.925 585 K CB 0.708 33.077 32.500 -0.217 0.000 1.225 585 K HN 0.544 nan 8.250 nan 0.000 0.458 586 L N 1.735 122.868 121.223 -0.150 0.000 2.472 586 L HA 0.139 4.479 4.340 -0.000 0.000 0.260 586 L C 0.761 177.527 176.870 -0.173 0.000 1.209 586 L CA -0.409 54.341 54.840 -0.151 0.000 0.817 586 L CB 0.128 42.124 42.059 -0.106 0.000 1.106 586 L HN 0.697 nan 8.230 nan 0.000 0.479 587 N N 0.096 118.690 118.700 -0.176 0.000 2.727 587 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 587 N C -0.712 174.678 175.510 -0.201 0.000 1.048 587 N CA 0.954 53.907 53.050 -0.162 0.000 0.714 587 N CB -1.277 37.154 38.487 -0.093 0.000 0.959 587 N HN 0.713 nan 8.380 nan 0.000 0.544 588 T N -0.315 114.080 114.554 -0.266 0.000 2.930 588 T HA 0.575 4.925 4.350 -0.000 0.000 0.313 588 T C 0.079 174.615 174.700 -0.273 0.000 1.019 588 T CA -0.517 61.422 62.100 -0.267 0.000 1.004 588 T CB 1.825 70.507 68.868 -0.311 0.000 0.987 588 T HN 0.341 nan 8.240 nan 0.000 0.456 589 A N 3.582 126.281 122.820 -0.202 0.000 2.260 589 A HA 0.652 4.972 4.320 -0.000 0.000 0.312 589 A C 0.461 177.994 177.584 -0.084 0.000 1.321 589 A CA -0.562 51.344 52.037 -0.218 0.000 0.928 589 A CB 0.134 19.061 19.000 -0.122 0.000 1.158 589 A HN 0.721 nan 8.150 nan 0.000 0.542 590 V N 4.033 123.885 119.914 -0.104 0.000 2.788 590 V HA 0.030 4.150 4.120 -0.000 0.000 0.307 590 V C 1.283 177.364 176.094 -0.022 0.000 1.069 590 V CA 0.638 62.906 62.300 -0.053 0.000 1.173 590 V CB 0.515 32.293 31.823 -0.076 0.000 0.925 590 V HN 1.028 nan 8.190 nan 0.000 0.492 591 R N 2.108 122.598 120.500 -0.016 0.000 2.470 591 R HA 0.259 4.599 4.340 -0.000 0.000 0.210 591 R C 0.344 176.601 176.300 -0.071 0.000 0.873 591 R CA 0.044 56.134 56.100 -0.016 0.000 1.015 591 R CB 0.847 31.162 30.300 0.024 0.000 1.348 591 R HN 0.762 nan 8.270 nan 0.000 0.650 592 Q N 0.825 120.582 119.800 -0.073 0.000 2.289 592 Q HA 0.361 4.701 4.340 -0.000 0.000 0.270 592 Q C -1.776 174.168 176.000 -0.094 0.000 1.038 592 Q CA -0.401 55.337 55.803 -0.107 0.000 0.812 592 Q CB 2.947 31.662 28.738 -0.039 0.000 1.300 592 Q HN -0.139 nan 8.270 nan 0.000 0.427 593 V N 4.393 124.209 119.914 -0.163 0.000 2.357 593 V HA 0.529 4.649 4.120 -0.000 0.000 0.284 593 V C -0.469 175.748 176.094 0.205 0.000 1.018 593 V CA -0.555 61.754 62.300 0.014 0.000 0.841 593 V CB 1.391 33.224 31.823 0.017 0.000 0.991 593 V HN 0.674 nan 8.190 nan 0.000 0.437 594 R N 4.919 125.533 120.500 0.191 0.000 2.343 594 R HA 0.600 4.940 4.340 -0.000 0.000 0.320 594 R C -1.480 174.958 176.300 0.230 0.000 0.956 594 R CA -0.631 55.567 56.100 0.162 0.000 0.836 594 R CB 1.759 32.098 30.300 0.064 0.000 1.151 594 R HN 0.799 nan 8.270 nan 0.000 0.450 595 Y N -0.910 119.439 120.300 0.081 0.000 2.354 595 Y HA 0.584 5.133 4.550 -0.000 0.000 0.330 595 Y C -0.645 175.290 175.900 0.058 0.000 1.011 595 Y CA -1.110 57.034 58.100 0.072 0.000 1.099 595 Y CB 1.577 40.083 38.460 0.076 0.000 1.179 595 Y HN 0.603 nan 8.280 nan 0.000 0.442 596 T N -0.722 113.846 114.554 0.022 0.000 2.865 596 T HA 0.688 5.038 4.350 -0.000 0.000 0.294 596 T C 0.989 175.720 174.700 0.052 0.000 1.119 596 T CA -0.478 61.609 62.100 -0.023 0.000 1.007 596 T CB 1.506 70.362 68.868 -0.020 0.000 1.225 596 T HN 1.092 nan 8.240 nan 0.000 0.515 597 A N 1.387 124.228 122.820 0.036 0.000 1.940 597 A HA -0.126 4.194 4.320 -0.000 0.000 0.221 597 A C 2.293 179.921 177.584 0.074 0.000 1.190 597 A CA 2.790 54.861 52.037 0.056 0.000 0.647 597 A CB -1.498 17.523 19.000 0.035 0.000 0.821 597 A HN 1.435 nan 8.150 nan 0.000 0.457 598 S N -2.554 113.184 115.700 0.062 0.000 2.548 598 S HA 0.504 4.974 4.470 -0.000 0.000 0.215 598 S C 0.853 175.503 174.600 0.084 0.000 0.976 598 S CA 0.623 58.864 58.200 0.068 0.000 0.908 598 S CB 0.066 63.294 63.200 0.047 0.000 0.781 598 S HN 1.796 nan 8.310 nan 0.000 0.519 599 G N -0.414 108.443 108.800 0.095 0.000 2.352 599 G HA2 0.324 4.284 3.960 -0.000 0.000 0.283 599 G HA3 0.324 4.284 3.960 -0.000 0.000 0.283 599 G C -1.626 173.340 174.900 0.110 0.000 1.308 599 G CA -0.373 44.788 45.100 0.103 0.000 0.892 599 G HN 0.451 nan 8.290 nan 0.000 0.504 600 C N 0.252 119.614 119.300 0.104 0.000 2.634 600 C HA 0.868 5.328 4.460 -0.000 0.000 0.313 600 C C -0.294 174.755 174.990 0.098 0.000 1.198 600 C CA -0.677 58.416 59.018 0.125 0.000 1.605 600 C CB 1.127 28.953 27.740 0.143 0.000 2.196 600 C HN 0.957 nan 8.230 nan 0.000 0.486 601 E N 0.689 120.951 120.200 0.104 0.000 2.248 601 E HA 0.757 5.107 4.350 -0.000 0.000 0.267 601 E C -1.832 174.835 176.600 0.111 0.000 0.877 601 E CA -0.603 55.856 56.400 0.099 0.000 0.759 601 E CB 1.706 31.449 29.700 0.070 0.000 1.182 601 E HN 0.327 nan 8.360 nan 0.000 0.418 602 V N 3.929 123.926 119.914 0.139 0.000 2.487 602 V HA 0.359 4.479 4.120 -0.000 0.000 0.298 602 V C -0.423 175.780 176.094 0.181 0.000 1.028 602 V CA -0.695 61.683 62.300 0.129 0.000 0.860 602 V CB 1.272 33.154 31.823 0.098 0.000 0.991 602 V HN 0.650 nan 8.190 nan 0.000 0.427 603 I N 4.669 125.310 120.570 0.118 0.000 2.330 603 I HA 0.698 4.868 4.170 -0.000 0.000 0.286 603 I C 0.538 176.733 176.117 0.130 0.000 1.025 603 I CA -0.015 61.364 61.300 0.132 0.000 1.197 603 I CB 1.328 39.372 38.000 0.073 0.000 1.358 603 I HN 0.677 nan 8.210 nan 0.000 0.467 604 A N 6.121 129.071 122.820 0.216 0.000 2.261 604 A HA 0.943 5.263 4.320 -0.000 0.000 0.323 604 A C -0.264 177.472 177.584 0.252 0.000 1.107 604 A CA -0.535 51.602 52.037 0.167 0.000 0.883 604 A CB 1.539 20.601 19.000 0.103 0.000 1.251 604 A HN 0.609 nan 8.150 nan 0.000 0.502 605 V N -1.404 118.624 119.914 0.191 0.000 3.102 605 V HA 0.655 4.775 4.120 -0.000 0.000 0.312 605 V C -0.503 175.697 176.094 0.178 0.000 1.135 605 V CA -1.136 61.317 62.300 0.256 0.000 1.022 605 V CB 1.808 33.724 31.823 0.156 0.000 1.056 605 V HN 0.861 nan 8.190 nan 0.000 0.436 606 N N 1.597 120.444 118.700 0.244 0.000 2.430 606 N HA 0.263 5.003 4.740 -0.000 0.000 0.265 606 N C 1.214 176.774 175.510 0.083 0.000 1.100 606 N CA 0.641 53.765 53.050 0.123 0.000 0.961 606 N CB 1.517 40.132 38.487 0.214 0.000 1.075 606 N HN 0.986 nan 8.380 nan 0.000 0.478 607 T N 2.058 116.632 114.554 0.034 0.000 2.746 607 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 607 T C 1.669 176.423 174.700 0.090 0.000 1.039 607 T CA 1.007 63.156 62.100 0.081 0.000 1.142 607 T CB -0.115 68.797 68.868 0.073 0.000 0.866 607 T HN 0.456 nan 8.240 nan 0.000 0.444 608 R N 1.855 122.392 120.500 0.062 0.000 2.147 608 R HA -0.018 4.322 4.340 -0.000 0.000 0.225 608 R C 1.679 178.017 176.300 0.063 0.000 1.120 608 R CA 1.636 57.771 56.100 0.057 0.000 0.891 608 R CB -0.631 29.695 30.300 0.043 0.000 0.822 608 R HN 0.499 nan 8.270 nan 0.000 0.433 609 S N 0.215 115.956 115.700 0.069 0.000 2.461 609 S HA 0.101 4.571 4.470 -0.000 0.000 0.322 609 S C 0.699 175.348 174.600 0.081 0.000 1.063 609 S CA -0.455 57.785 58.200 0.066 0.000 1.120 609 S CB 1.556 64.787 63.200 0.053 0.000 0.968 609 S HN 0.415 nan 8.310 nan 0.000 0.467 610 T N 1.000 115.598 114.554 0.073 0.000 3.148 610 T HA -0.017 4.333 4.350 -0.000 0.000 0.253 610 T C 1.627 176.369 174.700 0.071 0.000 1.134 610 T CA 0.819 62.969 62.100 0.084 0.000 1.051 610 T CB -0.490 68.427 68.868 0.081 0.000 0.959 610 T HN 0.733 nan 8.240 nan 0.000 0.525 611 S N 0.104 115.834 115.700 0.050 0.000 2.478 611 S HA 0.070 4.540 4.470 -0.000 0.000 0.222 611 S C 1.072 175.681 174.600 0.015 0.000 1.008 611 S CA -0.394 57.823 58.200 0.028 0.000 0.928 611 S CB -0.625 62.584 63.200 0.014 0.000 0.781 611 S HN 0.683 nan 8.310 nan 0.000 0.518 612 Q N 2.182 121.998 119.800 0.026 0.000 2.242 612 Q HA 0.118 4.458 4.340 -0.000 0.000 0.284 612 Q C -0.967 175.010 176.000 -0.040 0.000 1.130 612 Q CA 0.398 56.189 55.803 -0.020 0.000 0.940 612 Q CB 0.083 28.848 28.738 0.044 0.000 1.146 612 Q HN 0.306 nan 8.270 nan 0.000 0.388 613 T N 4.325 118.752 114.554 -0.212 0.000 2.929 613 T HA 0.582 4.932 4.350 -0.000 0.000 0.284 613 T C -0.896 173.493 174.700 -0.518 0.000 1.014 613 T CA -0.289 61.711 62.100 -0.167 0.000 1.051 613 T CB 0.506 69.323 68.868 -0.085 0.000 1.028 613 T HN 0.394 nan 8.240 nan 0.000 0.485 614 F N 1.521 121.463 119.950 -0.014 0.000 2.565 614 F HA 0.614 5.141 4.527 -0.000 0.000 0.313 614 F C -0.369 175.379 175.800 -0.088 0.000 1.091 614 F CA -1.177 56.778 58.000 -0.075 0.000 0.915 614 F CB 1.610 40.629 39.000 0.032 0.000 1.208 614 F HN 0.171 nan 8.300 nan 0.000 0.453 615 I N 3.384 123.888 120.570 -0.111 0.000 2.478 615 I HA 0.289 4.459 4.170 -0.000 0.000 0.287 615 I C -1.396 174.580 176.117 -0.235 0.000 1.042 615 I CA -0.958 60.300 61.300 -0.071 0.000 1.067 615 I CB 1.541 39.505 38.000 -0.059 0.000 1.233 615 I HN 0.519 nan 8.210 nan 0.000 0.431 616 Y N 4.919 125.252 120.300 0.055 0.000 2.341 616 Y HA 0.438 4.988 4.550 -0.000 0.000 0.338 616 Y C 0.338 176.252 175.900 0.023 0.000 0.965 616 Y CA -0.762 57.359 58.100 0.035 0.000 1.108 616 Y CB 1.815 40.289 38.460 0.023 0.000 1.180 616 Y HN 0.280 nan 8.280 nan 0.000 0.458 617 K N 3.532 124.014 120.400 0.137 0.000 2.182 617 K HA 0.784 5.104 4.320 -0.000 0.000 0.262 617 K C -0.741 175.902 176.600 0.073 0.000 0.957 617 K CA -0.458 55.880 56.287 0.085 0.000 0.842 617 K CB 1.776 34.303 32.500 0.045 0.000 1.099 617 K HN 0.894 nan 8.250 nan 0.000 0.438 618 C N -1.142 118.188 119.300 0.050 0.000 3.312 618 C HA 0.339 4.799 4.460 -0.000 0.000 0.332 618 C C 1.001 175.983 174.990 -0.012 0.000 1.340 618 C CA -0.867 58.155 59.018 0.007 0.000 1.265 618 C CB 0.961 28.698 27.740 -0.005 0.000 1.563 618 C HN 0.847 nan 8.230 nan 0.000 0.471 619 D N 1.248 121.595 120.400 -0.089 0.000 2.097 619 D HA 0.146 4.785 4.640 -0.000 0.000 0.195 619 D C 0.857 177.073 176.300 -0.140 0.000 0.989 619 D CA 2.484 56.391 54.000 -0.154 0.000 0.827 619 D CB 0.072 40.635 40.800 -0.396 0.000 0.966 619 D HN 1.060 nan 8.370 nan 0.000 0.456 620 A N 0.076 122.776 122.820 -0.201 0.000 2.515 620 A HA 0.528 4.848 4.320 -0.000 0.000 0.298 620 A C -1.056 176.516 177.584 -0.021 0.000 1.059 620 A CA -0.581 51.426 52.037 -0.051 0.000 0.698 620 A CB 2.200 21.100 19.000 -0.166 0.000 1.289 620 A HN -0.079 nan 8.150 nan 0.000 0.404 621 V N 2.239 122.196 119.914 0.071 0.000 2.384 621 V HA 0.461 4.581 4.120 -0.000 0.000 0.287 621 V C -0.765 175.346 176.094 0.028 0.000 1.020 621 V CA -0.431 61.885 62.300 0.026 0.000 0.850 621 V CB 1.212 33.055 31.823 0.033 0.000 0.987 621 V HN 0.779 nan 8.190 nan 0.000 0.436 622 L N 6.402 127.617 121.223 -0.013 0.000 2.280 622 L HA 0.583 4.923 4.340 -0.000 0.000 0.287 622 L C -0.290 176.578 176.870 -0.003 0.000 1.023 622 L CA 0.057 54.891 54.840 -0.011 0.000 0.819 622 L CB 0.966 43.010 42.059 -0.026 0.000 1.212 622 L HN 0.817 nan 8.230 nan 0.000 0.420 623 C N 4.124 123.427 119.300 0.005 0.000 2.285 623 C HA 0.617 5.077 4.460 -0.000 0.000 0.335 623 C C 1.390 176.517 174.990 0.228 0.000 1.267 623 C CA 0.240 59.347 59.018 0.148 0.000 1.762 623 C CB -0.201 27.712 27.740 0.288 0.000 2.365 623 C HN 0.978 nan 8.230 nan 0.000 0.527 624 T N 4.375 119.028 114.554 0.165 0.000 3.182 624 T HA 0.260 4.610 4.350 -0.000 0.000 0.277 624 T C 0.286 175.095 174.700 0.182 0.000 1.013 624 T CA -0.299 61.904 62.100 0.171 0.000 0.900 624 T CB -0.432 68.491 68.868 0.092 0.000 1.098 624 T HN 0.666 nan 8.240 nan 0.000 0.543 625 L N 2.436 123.766 121.223 0.178 0.000 2.640 625 L HA 0.174 4.514 4.340 -0.000 0.000 0.280 625 L C -2.038 174.847 176.870 0.024 0.000 1.229 625 L CA -1.317 53.589 54.840 0.111 0.000 0.919 625 L CB -0.097 42.036 42.059 0.124 0.000 1.168 625 L HN 0.121 nan 8.230 nan 0.000 0.496 626 P HA -0.084 nan 4.420 nan 0.000 0.268 626 P C 0.464 177.381 177.300 -0.638 0.000 1.208 626 P CA -0.318 62.634 63.100 -0.248 0.000 0.777 626 P CB 0.612 32.263 31.700 -0.082 0.000 0.875 627 L N 2.870 123.434 121.223 -1.099 0.000 2.201 627 L HA -0.006 4.334 4.340 -0.000 0.000 0.212 627 L C 2.036 178.268 176.870 -1.063 0.000 1.105 627 L CA 2.245 56.434 54.840 -1.084 0.000 0.775 627 L CB -1.415 40.090 42.059 -0.922 0.000 0.913 627 L HN 0.479 nan 8.230 nan 0.000 0.440 628 G N -0.918 106.839 108.800 -1.737 0.000 2.422 628 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.218 628 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.218 628 G C 1.446 176.101 174.900 -0.408 0.000 1.146 628 G CA 1.027 45.517 45.100 -1.017 0.000 0.769 628 G HN 0.329 nan 8.290 nan 0.000 0.547 629 V N 0.934 120.643 119.914 -0.342 0.000 2.323 629 V HA -0.056 4.064 4.120 -0.000 0.000 0.244 629 V C 2.827 178.844 176.094 -0.128 0.000 1.041 629 V CA 1.236 63.454 62.300 -0.137 0.000 1.025 629 V CB -0.432 31.373 31.823 -0.029 0.000 0.656 629 V HN 0.329 nan 8.190 nan 0.000 0.451 630 L N -0.473 120.635 121.223 -0.191 0.000 2.353 630 L HA -0.166 4.174 4.340 -0.000 0.000 0.220 630 L C 2.334 179.121 176.870 -0.138 0.000 1.133 630 L CA 1.409 56.173 54.840 -0.127 0.000 0.798 630 L CB -0.505 41.438 42.059 -0.194 0.000 0.922 630 L HN 0.306 nan 8.230 nan 0.000 0.445 631 K N -0.803 119.484 120.400 -0.188 0.000 2.356 631 K HA 0.032 4.352 4.320 -0.000 0.000 0.195 631 K C 0.729 177.276 176.600 -0.088 0.000 1.037 631 K CA -0.091 56.108 56.287 -0.147 0.000 1.014 631 K CB 0.247 32.643 32.500 -0.175 0.000 0.815 631 K HN 0.270 nan 8.250 nan 0.000 0.507 632 Q N 1.238 120.993 119.800 -0.075 0.000 2.349 632 Q HA -0.058 4.282 4.340 -0.000 0.000 0.287 632 Q C -0.628 175.353 176.000 -0.032 0.000 1.044 632 Q CA 0.869 56.644 55.803 -0.047 0.000 0.918 632 Q CB 0.675 29.389 28.738 -0.041 0.000 1.242 632 Q HN -0.075 nan 8.270 nan 0.000 0.405 633 Q N 3.493 123.277 119.800 -0.027 0.000 2.325 633 Q HA 0.421 4.761 4.340 -0.000 0.000 0.270 633 Q C -2.195 173.794 176.000 -0.019 0.000 1.020 633 Q CA -1.558 54.233 55.803 -0.020 0.000 0.785 633 Q CB 1.429 30.155 28.738 -0.019 0.000 1.259 633 Q HN 0.452 nan 8.270 nan 0.000 0.452 634 P HA 0.425 nan 4.420 nan 0.000 0.276 634 P C -2.600 174.693 177.300 -0.011 0.000 1.252 634 P CA -1.458 61.635 63.100 -0.011 0.000 0.802 634 P CB -0.041 31.654 31.700 -0.008 0.000 1.035 635 P HA 0.003 nan 4.420 nan 0.000 0.265 635 P C 0.290 177.588 177.300 -0.004 0.000 1.187 635 P CA 0.340 63.439 63.100 -0.001 0.000 0.766 635 P CB 0.229 31.934 31.700 0.009 0.000 0.820 636 A N 2.939 125.760 122.820 0.001 0.000 2.044 636 A HA 0.171 4.491 4.320 -0.000 0.000 0.213 636 A C 0.645 178.234 177.584 0.008 0.000 1.169 636 A CA 0.999 53.048 52.037 0.019 0.000 0.724 636 A CB 0.097 19.123 19.000 0.044 0.000 0.840 636 A HN 0.410 nan 8.150 nan 0.000 0.463 637 V N 0.150 120.042 119.914 -0.038 0.000 2.823 637 V HA 0.385 4.505 4.120 -0.000 0.000 0.312 637 V C -0.676 175.277 176.094 -0.236 0.000 1.072 637 V CA -0.703 61.507 62.300 -0.151 0.000 0.937 637 V CB 1.867 33.567 31.823 -0.205 0.000 1.013 637 V HN 0.496 nan 8.190 nan 0.000 0.430 638 Q N 2.040 121.652 119.800 -0.315 0.000 2.333 638 Q HA 0.561 4.901 4.340 -0.000 0.000 0.267 638 Q C -1.965 173.840 176.000 -0.325 0.000 1.012 638 Q CA -0.499 55.180 55.803 -0.207 0.000 0.824 638 Q CB 1.958 30.645 28.738 -0.085 0.000 1.290 638 Q HN 0.622 nan 8.270 nan 0.000 0.449 639 F N 1.850 121.851 119.950 0.085 0.000 2.436 639 F HA 0.460 4.987 4.527 -0.000 0.000 0.340 639 F C -0.091 175.797 175.800 0.147 0.000 1.113 639 F CA -0.665 57.432 58.000 0.162 0.000 1.022 639 F CB 1.708 40.809 39.000 0.168 0.000 1.128 639 F HN 0.166 nan 8.300 nan 0.000 0.466 640 V N 5.966 126.080 119.914 0.333 0.000 2.419 640 V HA 0.382 4.501 4.120 -0.000 0.000 0.287 640 V C -2.184 173.771 176.094 -0.233 0.000 1.017 640 V CA -2.006 60.337 62.300 0.072 0.000 0.844 640 V CB 1.941 33.780 31.823 0.028 0.000 1.011 640 V HN 0.482 nan 8.190 nan 0.000 0.429 641 P HA 0.319 nan 4.420 nan 0.000 0.273 641 P C -2.809 174.569 177.300 0.131 0.000 1.250 641 P CA -1.757 61.288 63.100 -0.091 0.000 0.793 641 P CB -0.224 31.400 31.700 -0.127 0.000 1.011 642 P HA 0.083 nan 4.420 nan 0.000 0.269 642 P C -0.143 177.216 177.300 0.097 0.000 1.215 642 P CA 0.151 63.339 63.100 0.147 0.000 0.780 642 P CB 0.139 31.878 31.700 0.064 0.000 0.898 643 L N 3.352 124.573 121.223 -0.003 0.000 2.514 643 L HA 0.129 4.469 4.340 -0.000 0.000 0.280 643 L C -1.497 175.216 176.870 -0.261 0.000 1.223 643 L CA -1.548 53.160 54.840 -0.220 0.000 0.864 643 L CB -0.752 41.065 42.059 -0.403 0.000 1.118 643 L HN 0.298 nan 8.230 nan 0.000 0.494 644 P HA -0.002 nan 4.420 nan 0.000 0.272 644 P C 0.094 177.125 177.300 -0.448 0.000 1.230 644 P CA -0.378 62.481 63.100 -0.401 0.000 0.788 644 P CB 0.597 31.954 31.700 -0.571 0.000 0.949 645 E N 2.064 122.139 120.200 -0.209 0.000 2.204 645 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 645 E C 1.829 178.378 176.600 -0.084 0.000 0.990 645 E CA 1.220 57.549 56.400 -0.120 0.000 0.821 645 E CB -0.975 28.711 29.700 -0.024 0.000 0.750 645 E HN 0.655 nan 8.360 nan 0.000 0.477 646 W N 1.376 122.653 121.300 -0.038 0.000 2.392 646 W HA -0.035 4.625 4.660 -0.000 0.000 0.279 646 W C 1.563 178.038 176.519 -0.073 0.000 1.225 646 W CA 1.053 58.370 57.345 -0.048 0.000 1.233 646 W CB -0.515 28.922 29.460 -0.039 0.000 1.122 646 W HN 0.112 nan 8.180 nan 0.000 0.561 647 K N 2.038 122.039 120.400 -0.664 0.000 2.044 647 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 647 K C 2.355 178.761 176.600 -0.324 0.000 1.049 647 K CA 3.008 58.944 56.287 -0.586 0.000 0.945 647 K CB -0.901 31.019 32.500 -0.966 0.000 0.724 647 K HN 0.103 nan 8.250 nan 0.000 0.440 648 T N -1.713 112.661 114.554 -0.299 0.000 2.867 648 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 648 T C 2.028 176.650 174.700 -0.131 0.000 1.057 648 T CA 1.482 63.462 62.100 -0.200 0.000 1.136 648 T CB -0.422 68.350 68.868 -0.159 0.000 0.874 648 T HN 0.070 nan 8.240 nan 0.000 0.466 649 S N 1.964 117.611 115.700 -0.088 0.000 2.368 649 S HA 0.126 4.595 4.470 -0.000 0.000 0.224 649 S C 2.646 177.216 174.600 -0.049 0.000 1.029 649 S CA 0.851 59.025 58.200 -0.044 0.000 0.988 649 S CB -0.792 62.409 63.200 0.001 0.000 0.838 649 S HN 0.741 nan 8.310 nan 0.000 0.462 650 A N 0.982 123.775 122.820 -0.045 0.000 2.024 650 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 650 A C 2.246 179.753 177.584 -0.128 0.000 1.164 650 A CA 1.445 53.443 52.037 -0.066 0.000 0.643 650 A CB -0.674 18.301 19.000 -0.040 0.000 0.806 650 A HN 0.368 nan 8.150 nan 0.000 0.451 651 V N -1.038 118.784 119.914 -0.153 0.000 2.379 651 V HA -0.223 3.897 4.120 -0.000 0.000 0.243 651 V C 2.544 178.552 176.094 -0.144 0.000 1.035 651 V CA 1.968 64.160 62.300 -0.180 0.000 1.035 651 V CB -0.818 30.881 31.823 -0.207 0.000 0.673 651 V HN 0.593 nan 8.190 nan 0.000 0.457 652 Q N 0.111 119.847 119.800 -0.107 0.000 1.998 652 Q HA -0.248 4.091 4.340 -0.000 0.000 0.209 652 Q C 2.494 178.447 176.000 -0.078 0.000 1.002 652 Q CA 2.414 58.170 55.803 -0.079 0.000 0.858 652 Q CB -0.270 28.435 28.738 -0.054 0.000 0.932 652 Q HN 0.472 nan 8.270 nan 0.000 0.416 653 R N -0.392 120.066 120.500 -0.070 0.000 2.096 653 R HA -0.104 4.236 4.340 -0.000 0.000 0.240 653 R C 0.785 177.033 176.300 -0.086 0.000 1.139 653 R CA 0.805 56.871 56.100 -0.056 0.000 0.952 653 R CB -0.398 29.880 30.300 -0.037 0.000 0.854 653 R HN 0.333 nan 8.270 nan 0.000 0.436 654 M N -0.028 119.491 119.600 -0.134 0.000 2.240 654 M HA 0.045 4.525 4.480 -0.000 0.000 0.317 654 M C 0.745 176.889 176.300 -0.261 0.000 1.087 654 M CA 0.331 55.512 55.300 -0.197 0.000 1.176 654 M CB 0.489 32.927 32.600 -0.271 0.000 1.439 654 M HN 0.113 nan 8.290 nan 0.000 0.452 655 G N 0.932 109.449 108.800 -0.472 0.000 2.388 655 G HA2 0.639 4.599 3.960 -0.000 0.000 0.330 655 G HA3 0.639 4.599 3.960 -0.000 0.000 0.330 655 G C -1.963 172.572 174.900 -0.607 0.000 1.142 655 G CA -0.323 44.237 45.100 -0.901 0.000 0.908 655 G HN 0.541 nan 8.290 nan 0.000 0.473 656 F N 2.500 122.214 119.950 -0.393 0.000 2.500 656 F HA 0.604 5.131 4.527 -0.000 0.000 0.349 656 F C 0.644 176.495 175.800 0.085 0.000 1.127 656 F CA -0.819 57.105 58.000 -0.126 0.000 0.998 656 F CB 1.300 40.228 39.000 -0.120 0.000 1.237 656 F HN 0.674 nan 8.300 nan 0.000 0.439 657 G N 3.149 111.892 108.800 -0.094 0.000 2.504 657 G HA2 0.345 4.305 3.960 -0.000 0.000 0.257 657 G HA3 0.345 4.305 3.960 -0.000 0.000 0.257 657 G C -1.168 173.480 174.900 -0.421 0.000 1.451 657 G CA -0.343 44.681 45.100 -0.126 0.000 1.059 657 G HN 0.601 nan 8.290 nan 0.000 0.550 658 N N -2.761 115.721 118.700 -0.364 0.000 2.745 658 N HA 0.509 5.249 4.740 -0.000 0.000 0.256 658 N C -2.069 173.316 175.510 -0.208 0.000 1.268 658 N CA -0.603 52.295 53.050 -0.253 0.000 0.887 658 N CB 1.892 40.322 38.487 -0.094 0.000 1.575 658 N HN 0.855 nan 8.380 nan 0.000 0.496 659 L N 1.679 122.849 121.223 -0.089 0.000 2.982 659 L HA 0.540 4.880 4.340 -0.000 0.000 0.262 659 L C -1.936 175.017 176.870 0.139 0.000 0.932 659 L CA -0.447 54.398 54.840 0.009 0.000 1.058 659 L CB 1.105 43.156 42.059 -0.014 0.000 1.665 659 L HN 0.625 nan 8.230 nan 0.000 0.499 660 N N 3.309 122.094 118.700 0.142 0.000 2.525 660 N HA 0.644 5.383 4.740 -0.000 0.000 0.288 660 N C -1.203 174.372 175.510 0.109 0.000 1.242 660 N CA -0.719 52.436 53.050 0.174 0.000 0.905 660 N CB 2.086 40.630 38.487 0.095 0.000 1.258 660 N HN 0.570 nan 8.380 nan 0.000 0.551 661 K N 0.261 120.708 120.400 0.078 0.000 2.375 661 K HA 0.579 4.899 4.320 -0.000 0.000 0.249 661 K C -1.224 175.340 176.600 -0.060 0.000 0.942 661 K CA -0.775 55.511 56.287 -0.001 0.000 0.806 661 K CB 2.462 34.972 32.500 0.018 0.000 1.227 661 K HN 0.141 nan 8.250 nan 0.000 0.430 662 V N 2.363 122.211 119.914 -0.110 0.000 2.409 662 V HA 0.266 4.386 4.120 -0.000 0.000 0.291 662 V C -0.493 175.502 176.094 -0.166 0.000 1.020 662 V CA -0.954 61.264 62.300 -0.136 0.000 0.848 662 V CB 1.690 33.435 31.823 -0.129 0.000 0.990 662 V HN 0.458 nan 8.190 nan 0.000 0.430 663 V N 6.924 126.708 119.914 -0.217 0.000 2.350 663 V HA 0.417 4.537 4.120 -0.000 0.000 0.276 663 V C -0.156 175.731 176.094 -0.345 0.000 1.028 663 V CA -0.279 61.857 62.300 -0.273 0.000 0.860 663 V CB 1.346 32.952 31.823 -0.362 0.000 0.990 663 V HN 0.641 nan 8.190 nan 0.000 0.453 664 L N 5.433 126.456 121.223 -0.333 0.000 2.280 664 L HA 0.477 4.817 4.340 -0.000 0.000 0.287 664 L C -0.500 175.920 176.870 -0.749 0.000 1.023 664 L CA -0.158 54.369 54.840 -0.522 0.000 0.819 664 L CB 1.315 43.160 42.059 -0.358 0.000 1.212 664 L HN 0.562 nan 8.230 nan 0.000 0.420 665 C N 3.856 122.640 119.300 -0.860 0.000 2.264 665 C HA 0.631 5.091 4.460 -0.000 0.000 0.324 665 C C -0.034 174.566 174.990 -0.650 0.000 1.267 665 C CA -0.694 57.810 59.018 -0.856 0.000 1.618 665 C CB -0.469 26.473 27.740 -1.330 0.000 2.278 665 C HN 0.448 nan 8.230 nan 0.000 0.499 666 F N 2.008 122.030 119.950 0.120 0.000 2.575 666 F HA 0.390 4.917 4.527 -0.000 0.000 0.330 666 F C 1.411 177.401 175.800 0.317 0.000 1.056 666 F CA -1.004 57.150 58.000 0.257 0.000 0.964 666 F CB 0.994 40.235 39.000 0.402 0.000 1.258 666 F HN 0.549 nan 8.300 nan 0.000 0.484 667 D N -0.263 120.417 120.400 0.467 0.000 2.350 667 D HA 0.030 4.670 4.640 -0.000 0.000 0.213 667 D C -0.017 176.413 176.300 0.217 0.000 1.031 667 D CA 0.251 54.432 54.000 0.303 0.000 0.861 667 D CB 0.279 41.209 40.800 0.218 0.000 0.926 667 D HN 0.596 nan 8.370 nan 0.000 0.520 668 R N -0.189 120.448 120.500 0.229 0.000 2.604 668 R HA 0.490 4.829 4.340 -0.000 0.000 0.270 668 R C -0.915 175.299 176.300 -0.143 0.000 1.052 668 R CA -0.924 55.211 56.100 0.058 0.000 0.902 668 R CB 1.239 31.549 30.300 0.016 0.000 1.233 668 R HN -0.208 nan 8.270 nan 0.000 0.455 669 V N 2.528 122.183 119.914 -0.432 0.000 2.763 669 V HA 0.111 4.231 4.120 -0.000 0.000 0.306 669 V C 0.405 175.916 176.094 -0.971 0.000 1.059 669 V CA 0.275 61.837 62.300 -1.231 0.000 1.138 669 V CB -0.383 30.923 31.823 -0.860 0.000 0.940 669 V HN 0.905 nan 8.190 nan 0.000 0.489 670 F N 0.614 119.769 119.950 -1.326 0.000 3.083 670 F HA 0.425 4.952 4.527 -0.000 0.000 0.355 670 F C -0.209 175.232 175.800 -0.598 0.000 1.194 670 F CA -1.453 56.139 58.000 -0.679 0.000 1.027 670 F CB -0.996 37.706 39.000 -0.498 0.000 1.386 670 F HN 0.477 nan 8.300 nan 0.000 0.513 671 W N 0.406 121.320 121.300 -0.644 0.000 2.492 671 W HA 0.634 5.294 4.660 -0.000 0.000 0.373 671 W C -0.128 176.350 176.519 -0.068 0.000 1.323 671 W CA -1.312 55.734 57.345 -0.499 0.000 1.406 671 W CB -0.095 29.038 29.460 -0.545 0.000 1.398 671 W HN -0.154 nan 8.180 nan 0.000 0.671 672 D N 1.496 122.080 120.400 0.306 0.000 2.346 672 D HA 0.131 4.771 4.640 -0.000 0.000 0.260 672 D C -1.386 175.050 176.300 0.227 0.000 1.252 672 D CA -1.974 52.140 54.000 0.191 0.000 0.895 672 D CB 1.219 42.130 40.800 0.184 0.000 1.097 672 D HN -0.003 nan 8.370 nan 0.000 0.489 673 P HA -0.136 nan 4.420 nan 0.000 0.218 673 P C 1.007 178.397 177.300 0.150 0.000 1.148 673 P CA 1.108 64.268 63.100 0.101 0.000 0.822 673 P CB 0.166 31.867 31.700 0.001 0.000 0.784 674 S N -2.527 113.243 115.700 0.118 0.000 2.593 674 S HA 0.095 4.565 4.470 -0.000 0.000 0.217 674 S C 0.697 175.368 174.600 0.118 0.000 0.966 674 S CA -0.116 58.145 58.200 0.101 0.000 0.914 674 S CB -0.579 62.663 63.200 0.069 0.000 0.776 674 S HN -0.128 nan 8.310 nan 0.000 0.523 675 V N 2.542 122.555 119.914 0.165 0.000 2.435 675 V HA 0.328 4.448 4.120 -0.000 0.000 0.290 675 V C 0.444 176.645 176.094 0.178 0.000 1.030 675 V CA -0.702 61.697 62.300 0.165 0.000 0.881 675 V CB 1.411 33.343 31.823 0.182 0.000 0.983 675 V HN 0.340 nan 8.190 nan 0.000 0.445 676 N N 3.491 122.252 118.700 0.102 0.000 2.368 676 N HA 0.259 4.998 4.740 -0.000 0.000 0.176 676 N C -0.038 175.446 175.510 -0.043 0.000 1.021 676 N CA 0.403 53.486 53.050 0.054 0.000 0.888 676 N CB 0.351 38.865 38.487 0.043 0.000 0.995 676 N HN 0.645 nan 8.380 nan 0.000 0.437 677 L N -2.399 118.777 121.223 -0.078 0.000 2.540 677 L HA 0.683 5.023 4.340 -0.000 0.000 0.256 677 L C -1.737 175.118 176.870 -0.026 0.000 1.001 677 L CA -1.306 53.368 54.840 -0.277 0.000 0.843 677 L CB 1.622 43.279 42.059 -0.670 0.000 1.436 677 L HN -0.105 nan 8.230 nan 0.000 0.410 678 F N -1.169 118.725 119.950 -0.093 0.000 2.650 678 F HA 0.867 5.394 4.527 -0.000 0.000 0.310 678 F C -0.434 175.415 175.800 0.081 0.000 1.112 678 F CA -0.628 57.379 58.000 0.012 0.000 0.986 678 F CB 1.364 40.431 39.000 0.111 0.000 1.285 678 F HN 0.705 nan 8.300 nan 0.000 0.440 679 G N 1.340 110.285 108.800 0.243 0.000 2.400 679 G HA2 0.433 4.393 3.960 -0.000 0.000 0.333 679 G HA3 0.433 4.393 3.960 -0.000 0.000 0.333 679 G C -1.970 173.150 174.900 0.365 0.000 1.143 679 G CA -0.692 44.569 45.100 0.269 0.000 0.914 679 G HN 1.087 nan 8.290 nan 0.000 0.480 680 H N 1.483 120.810 119.070 0.427 0.000 2.467 680 H HA 0.410 4.966 4.556 -0.000 0.000 0.326 680 H C -1.051 174.514 175.328 0.395 0.000 1.094 680 H CA -0.501 55.773 56.048 0.378 0.000 1.253 680 H CB 1.813 31.838 29.762 0.439 0.000 1.439 680 H HN 0.153 nan 8.280 nan 0.000 0.479 681 V N 5.881 125.536 119.914 -0.431 0.000 2.334 681 V HA 0.227 4.347 4.120 -0.000 0.000 0.267 681 V C 1.371 177.177 176.094 -0.481 0.000 1.040 681 V CA -0.214 61.936 62.300 -0.249 0.000 0.866 681 V CB 0.595 32.341 31.823 -0.128 0.000 1.019 681 V HN 0.932 nan 8.190 nan 0.000 0.468 682 G N 3.333 112.022 108.800 -0.186 0.000 2.716 682 G HA2 0.226 4.186 3.960 -0.000 0.000 0.251 682 G HA3 0.226 4.186 3.960 -0.000 0.000 0.251 682 G C 0.951 175.886 174.900 0.058 0.000 1.224 682 G CA -0.008 45.128 45.100 0.061 0.000 0.891 682 G HN 0.615 nan 8.290 nan 0.000 0.561 683 S N -1.190 114.575 115.700 0.108 0.000 2.470 683 S HA 0.140 4.610 4.470 -0.000 0.000 0.222 683 S C 1.071 175.714 174.600 0.072 0.000 1.024 683 S CA 0.774 59.022 58.200 0.080 0.000 0.931 683 S CB 0.139 63.392 63.200 0.088 0.000 0.791 683 S HN 0.756 nan 8.310 nan 0.000 0.513 684 T N 0.010 114.612 114.554 0.080 0.000 2.926 684 T HA 0.309 4.659 4.350 -0.000 0.000 0.289 684 T C 1.043 175.788 174.700 0.074 0.000 1.054 684 T CA -0.599 61.542 62.100 0.069 0.000 1.015 684 T CB 1.297 70.201 68.868 0.061 0.000 1.167 684 T HN -0.136 nan 8.240 nan 0.000 0.526 685 T N 1.646 116.242 114.554 0.069 0.000 2.674 685 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 685 T C 2.376 177.103 174.700 0.045 0.000 1.039 685 T CA 1.481 63.623 62.100 0.070 0.000 1.150 685 T CB -0.697 68.211 68.868 0.065 0.000 0.864 685 T HN 0.725 nan 8.240 nan 0.000 0.427 686 A N 1.653 124.495 122.820 0.036 0.000 2.032 686 A HA -0.101 4.219 4.320 -0.000 0.000 0.221 686 A C 2.213 179.813 177.584 0.026 0.000 1.165 686 A CA 1.990 54.040 52.037 0.022 0.000 0.645 686 A CB -0.542 18.472 19.000 0.023 0.000 0.807 686 A HN 0.598 nan 8.150 nan 0.000 0.453 687 S N -0.977 114.752 115.700 0.049 0.000 2.601 687 S HA 0.142 4.612 4.470 -0.000 0.000 0.244 687 S C 1.342 175.992 174.600 0.083 0.000 1.001 687 S CA 0.112 58.352 58.200 0.066 0.000 0.984 687 S CB -0.096 63.159 63.200 0.091 0.000 0.842 687 S HN 0.763 nan 8.310 nan 0.000 0.474 688 R N 1.086 121.616 120.500 0.050 0.000 2.148 688 R HA 0.050 4.390 4.340 -0.000 0.000 0.227 688 R C 1.853 178.127 176.300 -0.044 0.000 1.103 688 R CA 1.501 57.627 56.100 0.043 0.000 0.983 688 R CB -1.080 29.236 30.300 0.027 0.000 0.874 688 R HN 0.393 nan 8.270 nan 0.000 0.451 689 G N 1.159 109.902 108.800 -0.095 0.000 2.511 689 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 689 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 689 G C 0.307 175.217 174.900 0.016 0.000 1.133 689 G CA -0.173 44.813 45.100 -0.190 0.000 0.792 689 G HN 0.493 nan 8.290 nan 0.000 0.539 690 E N 0.635 120.895 120.200 0.102 0.000 2.265 690 E HA 0.260 4.610 4.350 -0.000 0.000 0.272 690 E C 0.537 177.272 176.600 0.224 0.000 1.067 690 E CA -0.475 56.007 56.400 0.136 0.000 0.900 690 E CB -0.065 29.705 29.700 0.116 0.000 1.017 690 E HN 0.203 nan 8.360 nan 0.000 0.431 691 L N 4.768 126.080 121.223 0.149 0.000 3.905 691 L HA -0.298 4.042 4.340 -0.000 0.000 0.437 691 L C 0.884 177.895 176.870 0.234 0.000 1.152 691 L CA 0.188 55.064 54.840 0.060 0.000 0.935 691 L CB -1.785 40.273 42.059 -0.002 0.000 1.841 691 L HN 0.667 nan 8.230 nan 0.000 0.998 692 F N -0.346 119.689 119.950 0.142 0.000 2.699 692 F HA 0.410 4.937 4.527 -0.000 0.000 0.298 692 F C 0.414 176.421 175.800 0.345 0.000 1.154 692 F CA 0.137 58.323 58.000 0.309 0.000 1.457 692 F CB 0.136 39.194 39.000 0.097 0.000 1.106 692 F HN 0.064 nan 8.300 nan 0.000 0.585 693 L N 0.451 121.331 121.223 -0.572 0.000 2.565 693 L HA 0.533 4.873 4.340 -0.000 0.000 0.261 693 L C -2.117 174.412 176.870 -0.568 0.000 0.932 693 L CA -1.279 53.149 54.840 -0.687 0.000 0.878 693 L CB 1.211 42.361 42.059 -1.514 0.000 1.333 693 L HN -0.060 nan 8.230 nan 0.000 0.409 694 F N 3.178 122.715 119.950 -0.689 0.000 2.480 694 F HA 0.715 5.242 4.527 -0.000 0.000 0.329 694 F C -0.919 174.478 175.800 -0.671 0.000 1.091 694 F CA -0.208 57.397 58.000 -0.658 0.000 0.972 694 F CB 1.784 40.123 39.000 -1.102 0.000 1.150 694 F HN 0.370 nan 8.300 nan 0.000 0.467 695 W N 1.916 123.030 121.300 -0.309 0.000 2.587 695 W HA 0.400 5.060 4.660 -0.000 0.000 0.324 695 W C -0.419 175.952 176.519 -0.248 0.000 1.040 695 W CA -0.903 56.295 57.345 -0.246 0.000 1.222 695 W CB 1.105 30.447 29.460 -0.197 0.000 1.381 695 W HN 0.259 nan 8.180 nan 0.000 0.483 696 N N 3.549 122.236 118.700 -0.021 0.000 2.527 696 N HA 0.367 5.107 4.740 -0.000 0.000 0.236 696 N C -0.372 175.137 175.510 -0.002 0.000 0.999 696 N CA -0.026 52.996 53.050 -0.046 0.000 0.935 696 N CB 0.614 39.101 38.487 0.000 0.000 1.132 696 N HN 0.588 nan 8.380 nan 0.000 0.511 697 L N 2.184 123.330 121.223 -0.128 0.000 2.854 697 L HA 0.346 4.686 4.340 -0.000 0.000 0.249 697 L C -0.406 176.228 176.870 -0.393 0.000 1.091 697 L CA -0.032 54.574 54.840 -0.389 0.000 0.935 697 L CB 0.175 41.748 42.059 -0.810 0.000 1.367 697 L HN 0.367 nan 8.230 nan 0.000 0.524 698 Y N -0.635 119.748 120.300 0.139 0.000 2.587 698 Y HA 0.324 4.874 4.550 -0.000 0.000 0.337 698 Y C 1.075 177.067 175.900 0.153 0.000 1.065 698 Y CA -0.960 57.221 58.100 0.135 0.000 1.126 698 Y CB 1.322 39.866 38.460 0.141 0.000 1.279 698 Y HN -0.255 nan 8.280 nan 0.000 0.489 699 K N 1.337 121.916 120.400 0.299 0.000 1.987 699 K HA -0.109 4.211 4.320 -0.000 0.000 0.216 699 K C 0.805 177.536 176.600 0.218 0.000 1.051 699 K CA 1.380 57.789 56.287 0.204 0.000 0.942 699 K CB -0.385 32.200 32.500 0.142 0.000 0.722 699 K HN 0.747 nan 8.250 nan 0.000 0.444 700 A N 2.017 124.970 122.820 0.222 0.000 2.492 700 A HA 0.076 4.396 4.320 -0.000 0.000 0.236 700 A C -2.115 175.699 177.584 0.384 0.000 1.078 700 A CA -0.857 51.326 52.037 0.243 0.000 0.773 700 A CB -0.395 18.714 19.000 0.182 0.000 1.023 700 A HN 0.153 nan 8.150 nan 0.000 0.504 701 P HA 0.154 nan 4.420 nan 0.000 0.245 701 P C -0.961 176.731 177.300 0.653 0.000 1.670 701 P CA 0.893 64.360 63.100 0.611 0.000 1.146 701 P CB -0.621 31.379 31.700 0.499 0.000 1.954 702 I N 2.304 123.161 120.570 0.478 0.000 2.433 702 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 702 I C 0.346 176.435 176.117 -0.046 0.000 1.001 702 I CA -0.918 60.496 61.300 0.189 0.000 1.119 702 I CB 2.161 40.279 38.000 0.198 0.000 1.289 702 I HN -0.060 nan 8.210 nan 0.000 0.438 703 L N 6.451 127.539 121.223 -0.227 0.000 2.334 703 L HA 0.621 4.961 4.340 -0.000 0.000 0.273 703 L C -0.905 175.907 176.870 -0.098 0.000 1.013 703 L CA -0.799 53.861 54.840 -0.300 0.000 0.816 703 L CB 2.204 44.034 42.059 -0.381 0.000 1.278 703 L HN 0.465 nan 8.230 nan 0.000 0.431 704 L N 2.692 123.890 121.223 -0.042 0.000 2.406 704 L HA 0.768 5.108 4.340 -0.000 0.000 0.272 704 L C -0.813 175.993 176.870 -0.106 0.000 0.980 704 L CA -0.258 54.555 54.840 -0.045 0.000 0.831 704 L CB 1.694 43.767 42.059 0.024 0.000 1.253 704 L HN 0.725 nan 8.230 nan 0.000 0.406 705 A N 4.810 127.465 122.820 -0.275 0.000 2.365 705 A HA 0.789 5.109 4.320 -0.000 0.000 0.318 705 A C -1.512 175.887 177.584 -0.308 0.000 1.091 705 A CA -0.565 51.127 52.037 -0.575 0.000 0.763 705 A CB 1.540 19.934 19.000 -1.010 0.000 1.248 705 A HN 0.495 nan 8.150 nan 0.000 0.442 706 L N 1.731 122.808 121.223 -0.244 0.000 2.309 706 L HA 0.490 4.830 4.340 -0.000 0.000 0.282 706 L C -0.174 176.734 176.870 0.064 0.000 1.036 706 L CA -0.345 54.476 54.840 -0.031 0.000 0.806 706 L CB 1.615 43.715 42.059 0.069 0.000 1.220 706 L HN 0.404 nan 8.230 nan 0.000 0.429 707 V N 3.647 123.603 119.914 0.070 0.000 2.311 707 V HA 0.777 4.897 4.120 -0.000 0.000 0.275 707 V C 0.406 176.547 176.094 0.077 0.000 1.022 707 V CA -0.474 61.874 62.300 0.079 0.000 0.830 707 V CB 0.730 32.574 31.823 0.035 0.000 1.012 707 V HN 0.915 nan 8.190 nan 0.000 0.452 708 A N 3.857 126.699 122.820 0.037 0.000 2.312 708 A HA 1.017 5.337 4.320 -0.000 0.000 0.310 708 A C 0.846 178.366 177.584 -0.107 0.000 1.139 708 A CA 0.056 52.075 52.037 -0.029 0.000 0.886 708 A CB 0.814 19.776 19.000 -0.063 0.000 1.350 708 A HN 1.797 nan 8.150 nan 0.000 0.479 709 G N -0.334 108.390 108.800 -0.128 0.000 2.581 709 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.291 709 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.291 709 G C 0.604 175.443 174.900 -0.102 0.000 1.277 709 G CA 0.570 45.585 45.100 -0.142 0.000 0.959 709 G HN 0.782 nan 8.290 nan 0.000 0.554 710 E N 0.327 120.473 120.200 -0.090 0.000 2.267 710 E HA -0.094 4.256 4.350 -0.000 0.000 0.197 710 E C 2.863 179.440 176.600 -0.038 0.000 0.998 710 E CA 1.707 58.072 56.400 -0.060 0.000 0.830 710 E CB -0.578 29.091 29.700 -0.051 0.000 0.751 710 E HN 0.783 nan 8.360 nan 0.000 0.491 711 A N 1.665 124.463 122.820 -0.037 0.000 1.855 711 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 711 A C 2.496 180.074 177.584 -0.011 0.000 1.191 711 A CA 1.845 53.874 52.037 -0.014 0.000 0.613 711 A CB -0.726 18.273 19.000 -0.002 0.000 0.829 711 A HN 0.267 nan 8.150 nan 0.000 0.442 712 A N -0.384 122.426 122.820 -0.017 0.000 1.909 712 A HA -0.122 4.198 4.320 -0.000 0.000 0.221 712 A C 2.468 180.050 177.584 -0.002 0.000 1.223 712 A CA 2.615 54.650 52.037 -0.003 0.000 0.658 712 A CB -1.628 17.366 19.000 -0.009 0.000 0.831 712 A HN 0.897 nan 8.150 nan 0.000 0.462 713 G N -0.791 108.002 108.800 -0.011 0.000 2.402 713 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 713 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 713 G C 1.539 176.436 174.900 -0.005 0.000 1.162 713 G CA 1.055 46.151 45.100 -0.006 0.000 0.777 713 G HN 0.482 nan 8.290 nan 0.000 0.539 714 I N 0.623 121.189 120.570 -0.006 0.000 2.286 714 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 714 I C 2.501 178.615 176.117 -0.004 0.000 1.115 714 I CA 0.791 62.089 61.300 -0.004 0.000 1.392 714 I CB 0.023 38.022 38.000 -0.002 0.000 1.065 714 I HN 0.103 nan 8.210 nan 0.000 0.418 715 M N -0.427 119.171 119.600 -0.003 0.000 2.619 715 M HA -0.079 4.401 4.480 -0.000 0.000 0.251 715 M C 1.829 178.122 176.300 -0.013 0.000 1.106 715 M CA 1.159 56.456 55.300 -0.004 0.000 1.086 715 M CB -0.829 31.772 32.600 0.001 0.000 1.465 715 M HN 0.283 nan 8.290 nan 0.000 0.506 716 E N 0.312 120.503 120.200 -0.014 0.000 2.208 716 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 716 E C 0.754 177.338 176.600 -0.027 0.000 0.988 716 E CA 0.538 56.923 56.400 -0.025 0.000 0.828 716 E CB -0.017 29.670 29.700 -0.022 0.000 0.763 716 E HN 0.483 nan 8.360 nan 0.000 0.478 717 N N 0.520 119.208 118.700 -0.020 0.000 2.362 717 N HA 0.143 4.883 4.740 -0.000 0.000 0.211 717 N C -0.330 175.170 175.510 -0.016 0.000 1.170 717 N CA 0.387 53.426 53.050 -0.019 0.000 0.828 717 N CB 0.450 38.929 38.487 -0.014 0.000 1.034 717 N HN 0.127 nan 8.380 nan 0.000 0.475 718 I N 0.029 120.589 120.570 -0.017 0.000 2.545 718 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 718 I C 0.247 176.352 176.117 -0.020 0.000 1.040 718 I CA -0.806 60.486 61.300 -0.014 0.000 1.068 718 I CB 1.968 39.964 38.000 -0.008 0.000 1.251 718 I HN -0.075 nan 8.210 nan 0.000 0.424 719 S N 2.901 118.590 115.700 -0.018 0.000 2.585 719 S HA 0.096 4.566 4.470 -0.000 0.000 0.273 719 S C 0.639 175.223 174.600 -0.026 0.000 1.339 719 S CA -0.363 57.823 58.200 -0.023 0.000 1.028 719 S CB 1.116 64.305 63.200 -0.018 0.000 0.906 719 S HN 0.598 nan 8.310 nan 0.000 0.528 720 D N 1.457 121.836 120.400 -0.035 0.000 2.133 720 D HA -0.135 4.505 4.640 -0.000 0.000 0.192 720 D C 1.462 177.744 176.300 -0.031 0.000 1.001 720 D CA 1.846 55.821 54.000 -0.042 0.000 0.844 720 D CB -0.330 40.438 40.800 -0.054 0.000 0.944 720 D HN 0.677 nan 8.370 nan 0.000 0.447 721 D N -0.079 120.308 120.400 -0.022 0.000 2.092 721 D HA -0.119 4.521 4.640 -0.000 0.000 0.193 721 D C 2.327 178.625 176.300 -0.003 0.000 0.994 721 D CA 0.737 54.730 54.000 -0.011 0.000 0.828 721 D CB -0.372 40.424 40.800 -0.007 0.000 0.963 721 D HN 0.076 nan 8.370 nan 0.000 0.450 722 V N 1.455 121.368 119.914 -0.003 0.000 2.380 722 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 722 V C 2.536 178.634 176.094 0.006 0.000 1.063 722 V CA 1.210 63.512 62.300 0.004 0.000 1.055 722 V CB -0.365 31.459 31.823 0.002 0.000 0.657 722 V HN 0.178 nan 8.190 nan 0.000 0.455 723 I N -0.600 119.968 120.570 -0.003 0.000 2.133 723 I HA -0.189 3.981 4.170 -0.000 0.000 0.238 723 I C 2.344 178.465 176.117 0.007 0.000 1.074 723 I CA 1.296 62.594 61.300 -0.004 0.000 1.342 723 I CB -0.386 37.602 38.000 -0.021 0.000 1.053 723 I HN 0.115 nan 8.210 nan 0.000 0.404 724 V N 1.159 121.073 119.914 -0.001 0.000 2.469 724 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 724 V C 2.428 178.552 176.094 0.049 0.000 1.064 724 V CA 2.036 64.346 62.300 0.015 0.000 1.066 724 V CB -1.637 30.181 31.823 -0.008 0.000 0.667 724 V HN 0.614 nan 8.190 nan 0.000 0.461 725 G N 0.196 109.018 108.800 0.037 0.000 2.575 725 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.215 725 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.215 725 G C 1.584 176.516 174.900 0.053 0.000 1.262 725 G CA 0.839 45.965 45.100 0.044 0.000 0.807 725 G HN 0.419 nan 8.290 nan 0.000 0.567 726 R N -0.753 119.773 120.500 0.042 0.000 2.198 726 R HA -0.182 4.158 4.340 -0.000 0.000 0.258 726 R C 2.572 178.909 176.300 0.062 0.000 1.173 726 R CA 1.240 57.366 56.100 0.043 0.000 0.991 726 R CB -0.954 29.366 30.300 0.034 0.000 0.879 726 R HN 0.403 nan 8.270 nan 0.000 0.460 727 C N 0.503 119.855 119.300 0.087 0.000 2.496 727 C HA -0.055 4.405 4.460 -0.000 0.000 0.281 727 C C 2.641 177.750 174.990 0.198 0.000 1.250 727 C CA 0.618 59.734 59.018 0.164 0.000 1.717 727 C CB -0.908 26.927 27.740 0.158 0.000 2.082 727 C HN 0.436 nan 8.230 nan 0.000 0.472 728 L N 1.107 122.433 121.223 0.171 0.000 2.013 728 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 728 L C 2.821 179.750 176.870 0.098 0.000 1.073 728 L CA 1.817 56.752 54.840 0.158 0.000 0.753 728 L CB -0.910 41.226 42.059 0.129 0.000 0.890 728 L HN 0.450 nan 8.230 nan 0.000 0.432 729 A N 0.621 123.486 122.820 0.075 0.000 1.870 729 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 729 A C 2.216 179.832 177.584 0.053 0.000 1.224 729 A CA 2.398 54.466 52.037 0.051 0.000 0.650 729 A CB -1.025 18.002 19.000 0.045 0.000 0.836 729 A HN 0.372 nan 8.150 nan 0.000 0.454 730 I N -0.589 120.014 120.570 0.055 0.000 2.248 730 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 730 I C 2.422 178.572 176.117 0.054 0.000 1.107 730 I CA 1.339 62.658 61.300 0.032 0.000 1.373 730 I CB -0.265 37.701 38.000 -0.056 0.000 1.055 730 I HN 0.329 nan 8.210 nan 0.000 0.418 731 L N 0.076 121.357 121.223 0.096 0.000 2.141 731 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 731 L C 2.485 179.445 176.870 0.151 0.000 1.094 731 L CA 1.285 56.214 54.840 0.149 0.000 0.763 731 L CB -0.329 41.859 42.059 0.216 0.000 0.908 731 L HN 0.177 nan 8.230 nan 0.000 0.437 732 K N -0.364 120.066 120.400 0.051 0.000 2.031 732 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 732 K C 2.086 178.690 176.600 0.007 0.000 1.049 732 K CA 1.107 57.394 56.287 0.000 0.000 0.939 732 K CB -0.474 32.014 32.500 -0.021 0.000 0.717 732 K HN 0.325 nan 8.250 nan 0.000 0.438 733 G N 1.248 110.055 108.800 0.013 0.000 2.499 733 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.221 733 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.221 733 G C 1.384 176.252 174.900 -0.053 0.000 1.109 733 G CA 0.803 45.904 45.100 0.002 0.000 0.749 733 G HN 0.166 nan 8.290 nan 0.000 0.568 734 I N -1.668 118.835 120.570 -0.111 0.000 2.685 734 I HA 0.207 4.377 4.170 -0.000 0.000 0.251 734 I C 1.441 177.280 176.117 -0.463 0.000 1.102 734 I CA 0.340 61.402 61.300 -0.398 0.000 1.442 734 I CB 0.172 37.696 38.000 -0.792 0.000 1.194 734 I HN 0.052 nan 8.210 nan 0.000 0.448 735 F N 1.320 121.166 119.950 -0.172 0.000 2.693 735 F HA 0.418 4.945 4.527 -0.000 0.000 0.303 735 F C 0.973 176.697 175.800 -0.127 0.000 1.097 735 F CA 0.012 57.934 58.000 -0.130 0.000 1.330 735 F CB 0.239 39.212 39.000 -0.046 0.000 1.067 735 F HN 0.083 nan 8.300 nan 0.000 0.565 736 G N 0.199 109.000 108.800 0.002 0.000 3.039 736 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 736 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 736 G C 0.553 175.421 174.900 -0.055 0.000 1.066 736 G CA -0.247 44.835 45.100 -0.029 0.000 0.774 736 G HN 0.046 nan 8.290 nan 0.000 0.591 737 S N 0.074 115.743 115.700 -0.051 0.000 2.488 737 S HA -0.025 4.445 4.470 -0.000 0.000 0.246 737 S C 2.099 176.649 174.600 -0.083 0.000 0.992 737 S CA 2.313 60.478 58.200 -0.058 0.000 0.963 737 S CB -0.212 62.966 63.200 -0.037 0.000 0.754 737 S HN 2.113 nan 8.310 nan 0.000 0.519 738 S N -1.595 114.045 115.700 -0.100 0.000 3.009 738 S HA 0.530 5.000 4.470 -0.000 0.000 0.254 738 S C 1.037 175.542 174.600 -0.160 0.000 1.004 738 S CA 0.151 58.282 58.200 -0.115 0.000 1.119 738 S CB 0.409 63.564 63.200 -0.074 0.000 1.075 738 S HN 0.331 nan 8.310 nan 0.000 0.618 739 A N 1.203 123.898 122.820 -0.207 0.000 2.067 739 A HA 0.426 4.746 4.320 -0.000 0.000 0.217 739 A C 0.809 178.036 177.584 -0.595 0.000 1.156 739 A CA 0.785 52.648 52.037 -0.291 0.000 0.683 739 A CB -0.204 18.672 19.000 -0.207 0.000 0.808 739 A HN 0.537 nan 8.150 nan 0.000 0.455 740 V N 3.296 122.818 119.914 -0.653 0.000 2.288 740 V HA 0.249 4.369 4.120 -0.000 0.000 0.266 740 V C -2.132 173.692 176.094 -0.450 0.000 1.048 740 V CA -1.671 60.073 62.300 -0.927 0.000 0.842 740 V CB 0.663 32.084 31.823 -0.670 0.000 1.064 740 V HN 0.335 nan 8.190 nan 0.000 0.472 741 P HA 0.199 nan 4.420 nan 0.000 0.274 741 P C -0.423 176.927 177.300 0.083 0.000 1.256 741 P CA -0.599 62.458 63.100 -0.072 0.000 0.795 741 P CB 0.688 32.400 31.700 0.020 0.000 1.038 742 Q N 0.665 120.535 119.800 0.116 0.000 2.315 742 Q HA 0.171 4.511 4.340 -0.000 0.000 0.289 742 Q C -1.973 174.198 176.000 0.284 0.000 1.044 742 Q CA -1.137 54.768 55.803 0.170 0.000 0.920 742 Q CB -0.884 27.913 28.738 0.098 0.000 1.214 742 Q HN 0.324 nan 8.270 nan 0.000 0.392 743 P HA 0.168 nan 4.420 nan 0.000 0.280 743 P C 0.280 177.580 177.300 -0.000 0.000 1.244 743 P CA -0.419 62.737 63.100 0.093 0.000 0.784 743 P CB 0.855 32.431 31.700 -0.207 0.000 0.913 744 K N 0.930 121.319 120.400 -0.018 0.000 2.155 744 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 744 K C 0.384 176.946 176.600 -0.063 0.000 1.052 744 K CA 1.379 57.673 56.287 0.012 0.000 0.948 744 K CB 0.180 32.751 32.500 0.119 0.000 0.728 744 K HN 0.537 nan 8.250 nan 0.000 0.448 745 E N 0.296 120.360 120.200 -0.226 0.000 2.321 745 E HA 0.233 4.583 4.350 -0.000 0.000 0.278 745 E C -0.915 175.464 176.600 -0.369 0.000 0.902 745 E CA -0.346 55.905 56.400 -0.248 0.000 0.758 745 E CB 2.284 31.834 29.700 -0.249 0.000 1.213 745 E HN 0.078 nan 8.360 nan 0.000 0.426 746 T N -1.751 112.622 114.554 -0.303 0.000 2.909 746 T HA 0.773 5.123 4.350 -0.000 0.000 0.299 746 T C -0.443 174.052 174.700 -0.342 0.000 1.073 746 T CA -0.759 61.142 62.100 -0.331 0.000 0.999 746 T CB 1.513 70.252 68.868 -0.216 0.000 1.098 746 T HN 0.111 nan 8.240 nan 0.000 0.477 747 V N 1.340 121.028 119.914 -0.378 0.000 2.841 747 V HA 0.694 4.814 4.120 -0.000 0.000 0.310 747 V C -0.865 175.094 176.094 -0.224 0.000 1.090 747 V CA -0.887 61.220 62.300 -0.321 0.000 0.930 747 V CB 2.235 33.784 31.823 -0.456 0.000 1.014 747 V HN 0.915 nan 8.190 nan 0.000 0.425 748 V N 2.925 122.738 119.914 -0.168 0.000 2.398 748 V HA 0.362 4.482 4.120 -0.000 0.000 0.282 748 V C 0.425 176.431 176.094 -0.147 0.000 1.014 748 V CA -0.450 61.769 62.300 -0.136 0.000 0.838 748 V CB 1.703 33.462 31.823 -0.108 0.000 1.018 748 V HN 1.059 nan 8.190 nan 0.000 0.432 749 S N 5.302 120.912 115.700 -0.150 0.000 2.563 749 S HA 0.359 4.829 4.470 -0.000 0.000 0.284 749 S C 0.178 174.631 174.600 -0.245 0.000 1.331 749 S CA -0.072 57.974 58.200 -0.257 0.000 1.047 749 S CB 0.531 63.624 63.200 -0.178 0.000 0.859 749 S HN 0.723 nan 8.310 nan 0.000 0.514 750 R N 2.185 122.453 120.500 -0.386 0.000 2.687 750 R HA 0.192 4.532 4.340 -0.000 0.000 0.264 750 R C -0.382 175.788 176.300 -0.216 0.000 1.715 750 R CA -0.253 55.713 56.100 -0.223 0.000 1.633 750 R CB 0.094 30.296 30.300 -0.163 0.000 1.353 750 R HN 0.872 nan 8.270 nan 0.000 0.653 751 W N 0.202 121.491 121.300 -0.018 0.000 2.374 751 W HA -0.106 4.554 4.660 -0.000 0.000 0.288 751 W C 2.190 178.712 176.519 0.004 0.000 1.218 751 W CA 0.538 57.882 57.345 -0.003 0.000 1.245 751 W CB 0.111 29.561 29.460 -0.016 0.000 1.126 751 W HN 0.271 nan 8.180 nan 0.000 0.545 752 R N 0.820 121.429 120.500 0.182 0.000 2.189 752 R HA -0.029 4.311 4.340 -0.000 0.000 0.223 752 R C 1.936 178.268 176.300 0.053 0.000 1.092 752 R CA 1.601 57.772 56.100 0.119 0.000 0.989 752 R CB -0.594 29.748 30.300 0.071 0.000 0.876 752 R HN 0.067 nan 8.270 nan 0.000 0.457 753 A N -0.405 122.415 122.820 -0.001 0.000 2.044 753 A HA 0.055 4.375 4.320 -0.000 0.000 0.213 753 A C 0.301 177.823 177.584 -0.103 0.000 1.169 753 A CA 0.263 52.265 52.037 -0.058 0.000 0.724 753 A CB -0.207 18.745 19.000 -0.080 0.000 0.840 753 A HN 0.327 nan 8.150 nan 0.000 0.463 754 D N 1.081 121.425 120.400 -0.092 0.000 2.389 754 D HA 0.072 4.712 4.640 -0.000 0.000 0.263 754 D C -1.189 175.011 176.300 -0.167 0.000 1.255 754 D CA -1.786 52.130 54.000 -0.140 0.000 0.914 754 D CB 0.962 41.715 40.800 -0.078 0.000 1.116 754 D HN 0.150 nan 8.370 nan 0.000 0.502 755 P HA -0.123 nan 4.420 nan 0.000 0.221 755 P C 0.366 177.401 177.300 -0.441 0.000 1.145 755 P CA 1.061 63.803 63.100 -0.597 0.000 0.795 755 P CB -0.096 30.959 31.700 -1.075 0.000 0.775 756 W N -0.906 120.434 121.300 0.067 0.000 3.194 756 W HA 0.608 5.268 4.660 -0.000 0.000 0.408 756 W C 1.324 177.925 176.519 0.137 0.000 1.072 756 W CA -0.253 57.138 57.345 0.077 0.000 1.953 756 W CB 0.215 29.716 29.460 0.068 0.000 1.091 756 W HN 0.006 nan 8.180 nan 0.000 0.699 757 A N -0.145 122.861 122.820 0.309 0.000 1.657 757 A HA 0.254 4.574 4.320 -0.000 0.000 0.202 757 A C 1.382 179.168 177.584 0.337 0.000 1.712 757 A CA -0.256 52.002 52.037 0.368 0.000 1.203 757 A CB 0.275 19.620 19.000 0.574 0.000 1.093 757 A HN -0.017 nan 8.150 nan 0.000 0.507 758 R N -0.096 120.578 120.500 0.291 0.000 3.418 758 R HA -0.113 4.227 4.340 -0.000 0.000 0.274 758 R C 0.434 177.008 176.300 0.457 0.000 1.108 758 R CA 1.305 57.550 56.100 0.242 0.000 0.741 758 R CB -2.398 27.961 30.300 0.098 0.000 1.223 758 R HN 2.253 nan 8.270 nan 0.000 0.434 759 G N -2.281 106.777 108.800 0.430 0.000 2.346 759 G HA2 0.042 4.002 3.960 -0.000 0.000 0.294 759 G HA3 0.042 4.002 3.960 -0.000 0.000 0.294 759 G C 0.222 175.037 174.900 -0.142 0.000 1.294 759 G CA 0.359 45.527 45.100 0.113 0.000 0.962 759 G HN 0.425 nan 8.290 nan 0.000 0.508 760 S N -1.595 113.687 115.700 -0.697 0.000 2.731 760 S HA 0.642 5.112 4.470 -0.000 0.000 0.244 760 S C 0.342 174.611 174.600 -0.551 0.000 1.084 760 S CA 1.567 59.370 58.200 -0.661 0.000 0.877 760 S CB 0.406 63.190 63.200 -0.693 0.000 0.798 760 S HN 2.311 nan 8.310 nan 0.000 0.496 761 Y N 0.270 120.113 120.300 -0.761 0.000 2.765 761 Y HA 0.660 5.210 4.550 -0.000 0.000 0.350 761 Y C -0.475 175.243 175.900 -0.303 0.000 1.196 761 Y CA -1.290 56.566 58.100 -0.408 0.000 1.119 761 Y CB 0.067 38.428 38.460 -0.165 0.000 1.368 761 Y HN 0.199 nan 8.280 nan 0.000 0.463 762 S N 0.920 116.797 115.700 0.294 0.000 2.641 762 S HA 0.801 5.271 4.470 -0.000 0.000 0.261 762 S C -0.874 173.959 174.600 0.389 0.000 1.257 762 S CA 0.401 58.762 58.200 0.269 0.000 0.983 762 S CB 1.159 64.520 63.200 0.269 0.000 0.990 762 S HN 1.567 nan 8.310 nan 0.000 0.572 763 Y N -3.210 117.240 120.300 0.250 0.000 2.677 763 Y HA 0.588 5.138 4.550 -0.000 0.000 0.334 763 Y C -1.532 174.529 175.900 0.269 0.000 1.196 763 Y CA -1.667 56.583 58.100 0.249 0.000 1.059 763 Y CB 0.477 39.032 38.460 0.157 0.000 1.315 763 Y HN 0.409 nan 8.280 nan 0.000 0.455 764 V N 2.702 122.921 119.914 0.509 0.000 2.313 764 V HA 0.622 4.742 4.120 -0.000 0.000 0.252 764 V C 0.838 177.188 176.094 0.426 0.000 1.112 764 V CA -0.158 62.372 62.300 0.382 0.000 0.984 764 V CB -0.720 31.305 31.823 0.338 0.000 1.157 764 V HN 0.969 nan 8.190 nan 0.000 0.493 765 A N 4.245 127.208 122.820 0.239 0.000 2.466 765 A HA 0.626 4.946 4.320 -0.000 0.000 0.238 765 A C 1.022 178.742 177.584 0.227 0.000 1.074 765 A CA 0.273 52.503 52.037 0.322 0.000 0.774 765 A CB 0.230 19.291 19.000 0.101 0.000 1.015 765 A HN 1.352 nan 8.150 nan 0.000 0.498 766 A N 0.710 123.650 122.820 0.200 0.000 2.567 766 A HA 0.465 4.785 4.320 -0.000 0.000 0.240 766 A C 1.651 179.295 177.584 0.100 0.000 1.053 766 A CA 0.908 53.024 52.037 0.132 0.000 0.755 766 A CB -0.852 18.195 19.000 0.077 0.000 0.978 766 A HN 2.779 nan 8.150 nan 0.000 0.507 767 G N 0.939 109.799 108.800 0.099 0.000 2.176 767 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.253 767 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.253 767 G C 0.683 175.621 174.900 0.063 0.000 0.979 767 G CA 0.936 46.079 45.100 0.070 0.000 0.641 767 G HN 1.554 nan 8.290 nan 0.000 0.530 768 S N -0.866 114.882 115.700 0.078 0.000 2.618 768 S HA 0.928 5.398 4.470 -0.000 0.000 0.284 768 S C 0.342 174.936 174.600 -0.010 0.000 1.102 768 S CA 1.259 59.482 58.200 0.039 0.000 0.984 768 S CB 1.587 64.813 63.200 0.043 0.000 1.280 768 S HN 2.149 nan 8.310 nan 0.000 0.525 769 S N -1.727 113.927 115.700 -0.077 0.000 2.688 769 S HA 0.405 4.875 4.470 -0.000 0.000 0.269 769 S C 0.512 175.052 174.600 -0.101 0.000 1.060 769 S CA -0.125 57.855 58.200 -0.366 0.000 0.844 769 S CB 0.381 63.256 63.200 -0.541 0.000 1.095 769 S HN 1.071 nan 8.310 nan 0.000 0.466 770 G N 0.855 109.559 108.800 -0.160 0.000 2.598 770 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 770 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 770 G C 1.093 176.022 174.900 0.049 0.000 1.131 770 G CA 0.652 45.714 45.100 -0.064 0.000 0.785 770 G HN 0.845 nan 8.290 nan 0.000 0.539 771 N N 0.994 119.689 118.700 -0.008 0.000 2.309 771 N HA -0.112 4.628 4.740 -0.000 0.000 0.182 771 N C 1.147 176.694 175.510 0.061 0.000 1.018 771 N CA 1.071 54.129 53.050 0.013 0.000 0.876 771 N CB -0.114 38.356 38.487 -0.028 0.000 0.972 771 N HN 0.072 nan 8.380 nan 0.000 0.434 772 D N -0.143 120.307 120.400 0.084 0.000 2.218 772 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 772 D C 1.196 177.521 176.300 0.043 0.000 0.976 772 D CA 0.809 54.837 54.000 0.047 0.000 0.853 772 D CB -0.352 40.447 40.800 -0.001 0.000 0.939 772 D HN 0.451 nan 8.370 nan 0.000 0.481 773 Y N 0.478 120.759 120.300 -0.032 0.000 2.421 773 Y HA -0.102 4.448 4.550 -0.000 0.000 0.292 773 Y C 1.916 177.798 175.900 -0.029 0.000 1.136 773 Y CA 0.575 58.657 58.100 -0.030 0.000 1.255 773 Y CB 0.247 38.686 38.460 -0.035 0.000 0.991 773 Y HN -0.092 nan 8.280 nan 0.000 0.552 774 D N -0.481 119.995 120.400 0.125 0.000 2.216 774 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 774 D C 2.168 178.499 176.300 0.051 0.000 0.960 774 D CA 0.684 54.722 54.000 0.063 0.000 0.861 774 D CB -0.161 40.656 40.800 0.027 0.000 0.985 774 D HN 0.264 nan 8.370 nan 0.000 0.493 775 L N 0.209 121.466 121.223 0.057 0.000 2.083 775 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 775 L C 2.238 179.195 176.870 0.145 0.000 1.083 775 L CA 0.746 55.659 54.840 0.121 0.000 0.752 775 L CB -0.318 41.821 42.059 0.134 0.000 0.899 775 L HN 0.080 nan 8.230 nan 0.000 0.433 776 M N -0.697 118.911 119.600 0.014 0.000 2.279 776 M HA -0.143 4.336 4.480 -0.000 0.000 0.264 776 M C 2.232 178.501 176.300 -0.052 0.000 1.062 776 M CA 1.690 56.928 55.300 -0.104 0.000 1.099 776 M CB -1.187 31.317 32.600 -0.160 0.000 1.394 776 M HN 0.271 nan 8.290 nan 0.000 0.426 777 A N -1.438 121.419 122.820 0.062 0.000 2.063 777 A HA 0.065 4.385 4.320 -0.000 0.000 0.211 777 A C 0.984 178.687 177.584 0.199 0.000 1.177 777 A CA -0.072 52.041 52.037 0.127 0.000 0.759 777 A CB -0.029 19.017 19.000 0.076 0.000 0.857 777 A HN 0.308 nan 8.150 nan 0.000 0.468 778 Q N 1.694 121.605 119.800 0.185 0.000 2.264 778 Q HA 0.115 4.455 4.340 -0.000 0.000 0.296 778 Q C -2.248 173.894 176.000 0.238 0.000 1.103 778 Q CA -1.402 54.504 55.803 0.171 0.000 0.967 778 Q CB 0.063 28.866 28.738 0.109 0.000 1.090 778 Q HN 0.391 nan 8.270 nan 0.000 0.379 779 P HA 0.098 nan 4.420 nan 0.000 0.271 779 P C -0.183 177.037 177.300 -0.133 0.000 1.233 779 P CA 0.001 62.939 63.100 -0.269 0.000 0.789 779 P CB 0.826 32.108 31.700 -0.696 0.000 0.951 780 I N 0.799 121.197 120.570 -0.286 0.000 2.441 780 I HA 0.253 4.423 4.170 -0.000 0.000 0.295 780 I C 0.366 176.417 176.117 -0.111 0.000 0.994 780 I CA -0.277 60.952 61.300 -0.118 0.000 1.144 780 I CB 1.455 39.341 38.000 -0.191 0.000 1.314 780 I HN 0.166 nan 8.210 nan 0.000 0.445 781 T N 6.864 121.440 114.554 0.037 0.000 2.809 781 T HA 0.386 4.736 4.350 -0.000 0.000 0.296 781 T C -2.241 172.542 174.700 0.137 0.000 1.015 781 T CA -1.097 61.042 62.100 0.066 0.000 0.954 781 T CB 1.406 70.298 68.868 0.040 0.000 0.950 781 T HN 0.416 nan 8.240 nan 0.000 0.450 782 P HA 0.279 nan 4.420 nan 0.000 0.272 782 P C 0.661 178.002 177.300 0.068 0.000 1.223 782 P CA -0.259 62.923 63.100 0.136 0.000 0.784 782 P CB 0.596 32.363 31.700 0.111 0.000 0.923 783 G N 2.469 111.289 108.800 0.034 0.000 2.583 783 G HA2 0.327 4.287 3.960 -0.000 0.000 0.275 783 G HA3 0.327 4.287 3.960 -0.000 0.000 0.275 783 G C -2.273 172.636 174.900 0.016 0.000 1.342 783 G CA -0.774 44.340 45.100 0.024 0.000 1.030 783 G HN 0.444 nan 8.290 nan 0.000 0.520 784 P HA 0.302 nan 4.420 nan 0.000 0.279 784 P C 0.444 177.746 177.300 0.003 0.000 1.252 784 P CA -0.424 62.682 63.100 0.011 0.000 0.811 784 P CB 1.915 33.621 31.700 0.010 0.000 1.035 785 S N 0.702 116.405 115.700 0.005 0.000 2.331 785 S HA 0.027 4.497 4.470 -0.000 0.000 0.208 785 S C 0.967 175.567 174.600 0.000 0.000 1.032 785 S CA 0.669 58.869 58.200 0.001 0.000 0.991 785 S CB -0.673 62.529 63.200 0.005 0.000 0.980 785 S HN 0.429 nan 8.310 nan 0.000 0.433 786 I N 3.279 123.851 120.570 0.003 0.000 2.556 786 I HA 0.196 4.365 4.170 -0.000 0.000 0.284 786 I C -2.448 173.671 176.117 0.003 0.000 1.114 786 I CA -1.775 59.526 61.300 0.002 0.000 1.418 786 I CB -0.183 37.819 38.000 0.004 0.000 1.394 786 I HN 0.089 nan 8.210 nan 0.000 0.552 787 P HA 0.185 nan 4.420 nan 0.000 0.271 787 P C 0.704 178.006 177.300 0.003 0.000 1.216 787 P CA 0.052 63.154 63.100 0.002 0.000 0.776 787 P CB 0.761 32.462 31.700 0.001 0.000 0.881 788 G N 1.218 110.020 108.800 0.003 0.000 2.179 788 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.257 788 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.257 788 G C 0.399 175.301 174.900 0.003 0.000 1.010 788 G CA 0.050 45.151 45.100 0.003 0.000 0.736 788 G HN 0.842 nan 8.290 nan 0.000 0.513 789 A N 0.515 123.338 122.820 0.005 0.000 2.340 789 A HA 0.745 5.065 4.320 -0.000 0.000 0.268 789 A C -0.916 176.671 177.584 0.006 0.000 1.100 789 A CA -0.875 51.166 52.037 0.006 0.000 0.803 789 A CB 0.460 19.465 19.000 0.008 0.000 1.043 789 A HN 0.325 nan 8.150 nan 0.000 0.488 790 P HA 0.080 nan 4.420 nan 0.000 0.268 790 P C -0.396 176.908 177.300 0.007 0.000 1.204 790 P CA -0.114 62.988 63.100 0.004 0.000 0.768 790 P CB 0.332 32.033 31.700 0.001 0.000 0.842 791 Q N 4.713 124.517 119.800 0.006 0.000 2.955 791 Q HA -0.043 4.297 4.340 -0.000 0.000 0.361 791 Q C -1.909 174.097 176.000 0.010 0.000 1.060 791 Q CA -0.280 55.529 55.803 0.009 0.000 1.177 791 Q CB -0.432 28.309 28.738 0.005 0.000 0.991 791 Q HN 0.328 nan 8.270 nan 0.000 0.414 792 P HA 0.221 nan 4.420 nan 0.000 0.282 792 P C -0.554 176.753 177.300 0.010 0.000 1.287 792 P CA -0.694 62.420 63.100 0.024 0.000 0.792 792 P CB 0.412 32.142 31.700 0.049 0.000 1.163 793 I N 0.722 121.291 120.570 -0.002 0.000 3.156 793 I HA -0.125 4.045 4.170 -0.000 0.000 0.327 793 I C -1.675 174.471 176.117 0.049 0.000 1.194 793 I CA -0.060 61.228 61.300 -0.019 0.000 1.473 793 I CB -1.008 36.982 38.000 -0.016 0.000 1.294 793 I HN 0.312 nan 8.210 nan 0.000 0.548 794 P HA 0.160 nan 4.420 nan 0.000 0.279 794 P C -0.247 177.141 177.300 0.147 0.000 1.239 794 P CA -0.367 62.734 63.100 0.001 0.000 0.789 794 P CB 1.250 32.864 31.700 -0.142 0.000 0.933 795 R N 1.212 121.747 120.500 0.058 0.000 2.257 795 R HA 0.242 4.582 4.340 -0.000 0.000 0.195 795 R C 0.212 176.586 176.300 0.123 0.000 0.921 795 R CA 0.052 56.292 56.100 0.234 0.000 1.069 795 R CB -0.338 30.112 30.300 0.251 0.000 1.115 795 R HN 0.386 nan 8.270 nan 0.000 0.571 796 L N 1.072 122.115 121.223 -0.300 0.000 2.333 796 L HA 0.524 4.864 4.340 -0.000 0.000 0.280 796 L C -1.296 175.091 176.870 -0.804 0.000 1.004 796 L CA -0.556 54.014 54.840 -0.450 0.000 0.820 796 L CB 1.037 42.663 42.059 -0.720 0.000 1.247 796 L HN -0.214 nan 8.230 nan 0.000 0.416 797 F N 4.262 123.888 119.950 -0.540 0.000 2.556 797 F HA 0.655 5.182 4.527 -0.000 0.000 0.327 797 F C -0.625 174.764 175.800 -0.684 0.000 1.059 797 F CA -0.403 57.333 58.000 -0.440 0.000 0.953 797 F CB 1.801 40.707 39.000 -0.158 0.000 1.227 797 F HN 0.216 nan 8.300 nan 0.000 0.478 798 F N 0.932 120.954 119.950 0.120 0.000 2.529 798 F HA 0.767 5.294 4.527 -0.000 0.000 0.320 798 F C 0.001 175.804 175.800 0.006 0.000 1.118 798 F CA -0.729 57.292 58.000 0.035 0.000 0.915 798 F CB 1.861 40.844 39.000 -0.029 0.000 1.161 798 F HN 0.590 nan 8.300 nan 0.000 0.445 799 A N 1.783 124.711 122.820 0.179 0.000 2.530 799 A HA 1.003 5.323 4.320 -0.000 0.000 0.288 799 A C -0.336 177.224 177.584 -0.040 0.000 1.172 799 A CA -0.479 51.583 52.037 0.041 0.000 0.733 799 A CB 1.681 20.704 19.000 0.039 0.000 1.320 799 A HN 1.608 nan 8.150 nan 0.000 0.419 800 G N -0.638 108.116 108.800 -0.077 0.000 2.465 800 G HA2 0.272 4.232 3.960 -0.000 0.000 0.681 800 G HA3 0.272 4.232 3.960 -0.000 0.000 0.681 800 G C 0.355 175.185 174.900 -0.117 0.000 1.340 800 G CA 0.445 45.504 45.100 -0.069 0.000 0.884 800 G HN 1.229 nan 8.290 nan 0.000 0.650 801 E N 0.349 120.580 120.200 0.052 0.000 2.233 801 E HA -0.332 4.018 4.350 -0.000 0.000 0.210 801 E C 1.699 178.395 176.600 0.160 0.000 1.046 801 E CA 2.475 58.937 56.400 0.103 0.000 0.844 801 E CB -0.306 29.484 29.700 0.150 0.000 0.741 801 E HN 0.894 nan 8.360 nan 0.000 0.465 802 H N -0.787 118.327 119.070 0.073 0.000 2.533 802 H HA 0.147 4.703 4.556 -0.000 0.000 0.271 802 H C 1.064 176.352 175.328 -0.067 0.000 1.000 802 H CA 1.176 57.208 56.048 -0.026 0.000 1.149 802 H CB -0.382 29.301 29.762 -0.132 0.000 1.375 802 H HN 0.200 nan 8.280 nan 0.000 0.582 803 T N -1.947 112.464 114.554 -0.238 0.000 3.132 803 T HA 0.289 4.639 4.350 -0.000 0.000 0.274 803 T C 0.356 175.084 174.700 0.047 0.000 1.011 803 T CA -0.445 61.571 62.100 -0.141 0.000 0.899 803 T CB -0.392 68.340 68.868 -0.226 0.000 1.089 803 T HN 0.251 nan 8.240 nan 0.000 0.543 804 I N 1.587 122.245 120.570 0.146 0.000 2.537 804 I HA 0.458 4.628 4.170 -0.000 0.000 0.276 804 I C 1.296 177.438 176.117 0.042 0.000 1.063 804 I CA -1.167 60.186 61.300 0.089 0.000 1.144 804 I CB 0.964 39.000 38.000 0.061 0.000 1.252 804 I HN -0.030 nan 8.210 nan 0.000 0.480 805 R N 3.704 124.191 120.500 -0.023 0.000 2.140 805 R HA -0.213 4.127 4.340 -0.000 0.000 0.250 805 R C 0.771 176.827 176.300 -0.406 0.000 1.150 805 R CA 2.330 58.276 56.100 -0.255 0.000 0.966 805 R CB 0.055 30.263 30.300 -0.153 0.000 0.869 805 R HN 0.624 nan 8.270 nan 0.000 0.445 806 N N -1.193 117.271 118.700 -0.393 0.000 2.336 806 N HA -0.012 4.728 4.740 -0.000 0.000 0.189 806 N C -0.555 174.411 175.510 -0.906 0.000 1.113 806 N CA 0.660 53.219 53.050 -0.817 0.000 0.858 806 N CB 0.626 38.326 38.487 -1.312 0.000 0.970 806 N HN 0.319 nan 8.380 nan 0.000 0.471 807 Y N -0.532 119.629 120.300 -0.231 0.000 2.810 807 Y HA 0.299 4.849 4.550 -0.000 0.000 0.255 807 Y C -2.341 173.479 175.900 -0.133 0.000 0.979 807 Y CA -1.739 56.286 58.100 -0.124 0.000 1.106 807 Y CB 0.849 39.307 38.460 -0.004 0.000 1.209 807 Y HN -0.076 nan 8.280 nan 0.000 0.646 808 P HA 0.044 nan 4.420 nan 0.000 0.271 808 P C 0.762 178.050 177.300 -0.020 0.000 1.244 808 P CA 1.012 64.142 63.100 0.051 0.000 0.793 808 P CB 1.104 32.857 31.700 0.089 0.000 0.984 809 A N -1.136 121.703 122.820 0.033 0.000 2.790 809 A HA -0.165 4.155 4.320 -0.000 0.000 0.277 809 A C 0.592 177.963 177.584 -0.355 0.000 1.435 809 A CA 1.761 53.721 52.037 -0.127 0.000 0.877 809 A CB -2.874 16.040 19.000 -0.144 0.000 1.007 809 A HN 0.870 nan 8.150 nan 0.000 0.613 810 T N -5.534 108.847 114.554 -0.289 0.000 2.906 810 T HA 0.635 4.985 4.350 -0.000 0.000 0.295 810 T C 0.900 175.399 174.700 -0.336 0.000 1.075 810 T CA -0.204 61.654 62.100 -0.403 0.000 1.005 810 T CB 1.658 70.090 68.868 -0.726 0.000 1.136 810 T HN 0.727 nan 8.240 nan 0.000 0.498 811 V N 1.930 121.691 119.914 -0.254 0.000 2.255 811 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 811 V C 2.809 178.835 176.094 -0.112 0.000 1.051 811 V CA 2.381 64.584 62.300 -0.162 0.000 1.018 811 V CB -1.306 30.440 31.823 -0.129 0.000 0.641 811 V HN 1.079 nan 8.190 nan 0.000 0.445 812 H N 0.179 119.285 119.070 0.059 0.000 2.387 812 H HA -0.084 4.472 4.556 -0.000 0.000 0.299 812 H C 2.332 177.653 175.328 -0.011 0.000 1.099 812 H CA 1.786 57.869 56.048 0.057 0.000 1.315 812 H CB -0.802 29.067 29.762 0.177 0.000 1.380 812 H HN 0.425 nan 8.280 nan 0.000 0.513 813 G N 0.839 109.448 108.800 -0.318 0.000 2.403 813 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.216 813 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.216 813 G C 2.002 176.858 174.900 -0.075 0.000 1.154 813 G CA 1.292 46.323 45.100 -0.115 0.000 0.784 813 G HN 0.650 nan 8.290 nan 0.000 0.538 814 A N 1.370 124.135 122.820 -0.092 0.000 1.828 814 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 814 A C 2.355 179.907 177.584 -0.054 0.000 1.203 814 A CA 1.559 53.563 52.037 -0.055 0.000 0.614 814 A CB -0.871 18.098 19.000 -0.053 0.000 0.844 814 A HN 0.368 nan 8.150 nan 0.000 0.445 815 L N 0.124 121.315 121.223 -0.052 0.000 2.082 815 L HA -0.261 4.079 4.340 -0.000 0.000 0.223 815 L C 2.345 179.164 176.870 -0.085 0.000 1.086 815 L CA 2.575 57.388 54.840 -0.046 0.000 0.793 815 L CB -1.248 40.805 42.059 -0.010 0.000 0.896 815 L HN 0.516 nan 8.230 nan 0.000 0.441 816 L N -0.038 121.120 121.223 -0.109 0.000 2.046 816 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 816 L C 2.850 179.659 176.870 -0.102 0.000 1.077 816 L CA 1.533 56.281 54.840 -0.153 0.000 0.747 816 L CB -0.831 41.106 42.059 -0.204 0.000 0.896 816 L HN 0.459 nan 8.230 nan 0.000 0.432 817 S N 0.150 115.811 115.700 -0.065 0.000 2.383 817 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 817 S C 2.082 176.666 174.600 -0.028 0.000 1.030 817 S CA 1.164 59.342 58.200 -0.037 0.000 1.002 817 S CB -1.166 62.014 63.200 -0.033 0.000 0.829 817 S HN 0.445 nan 8.310 nan 0.000 0.467 818 G N 1.820 110.597 108.800 -0.038 0.000 2.402 818 G HA2 0.033 3.993 3.960 -0.000 0.000 0.216 818 G HA3 0.033 3.993 3.960 -0.000 0.000 0.216 818 G C 1.482 176.357 174.900 -0.041 0.000 1.162 818 G CA 0.767 45.848 45.100 -0.033 0.000 0.777 818 G HN 0.496 nan 8.290 nan 0.000 0.539 819 L N -0.081 121.102 121.223 -0.068 0.000 2.042 819 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 819 L C 2.936 179.794 176.870 -0.021 0.000 1.076 819 L CA 1.362 56.157 54.840 -0.074 0.000 0.749 819 L CB -0.464 41.498 42.059 -0.161 0.000 0.893 819 L HN 0.231 nan 8.230 nan 0.000 0.432 820 R N 0.182 120.665 120.500 -0.028 0.000 2.083 820 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 820 R C 2.215 178.543 176.300 0.047 0.000 1.137 820 R CA 1.501 57.601 56.100 -0.000 0.000 0.951 820 R CB 0.033 30.324 30.300 -0.015 0.000 0.851 820 R HN 0.250 nan 8.270 nan 0.000 0.434 821 E N 0.419 120.643 120.200 0.041 0.000 2.072 821 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 821 E C 1.891 178.507 176.600 0.027 0.000 0.982 821 E CA 1.224 57.656 56.400 0.054 0.000 0.803 821 E CB -0.453 29.277 29.700 0.050 0.000 0.755 821 E HN 0.441 nan 8.360 nan 0.000 0.453 822 A N 1.121 123.962 122.820 0.034 0.000 1.927 822 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 822 A C 2.455 180.183 177.584 0.239 0.000 1.185 822 A CA 2.323 54.413 52.037 0.088 0.000 0.639 822 A CB -1.298 17.722 19.000 0.033 0.000 0.820 822 A HN 0.350 nan 8.150 nan 0.000 0.451 823 G N -0.489 108.462 108.800 0.252 0.000 2.514 823 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.217 823 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.217 823 G C 1.728 176.741 174.900 0.188 0.000 1.198 823 G CA 1.362 46.624 45.100 0.271 0.000 0.780 823 G HN 0.639 nan 8.290 nan 0.000 0.565 824 R N -0.048 120.545 120.500 0.155 0.000 2.120 824 R HA 0.094 4.434 4.340 -0.000 0.000 0.234 824 R C 2.447 178.783 176.300 0.059 0.000 1.123 824 R CA 1.038 57.221 56.100 0.138 0.000 0.975 824 R CB -0.325 30.079 30.300 0.173 0.000 0.866 824 R HN 0.445 nan 8.270 nan 0.000 0.446 825 I N 0.562 121.090 120.570 -0.070 0.000 2.193 825 I HA -0.153 4.017 4.170 -0.000 0.000 0.240 825 I C 2.478 178.632 176.117 0.063 0.000 1.084 825 I CA 1.202 62.383 61.300 -0.197 0.000 1.365 825 I CB -0.342 37.400 38.000 -0.431 0.000 1.064 825 I HN 0.310 nan 8.210 nan 0.000 0.410 826 A N 0.666 123.531 122.820 0.073 0.000 1.869 826 A HA -0.350 3.970 4.320 -0.000 0.000 0.218 826 A C 1.989 179.581 177.584 0.013 0.000 1.203 826 A CA 2.570 54.633 52.037 0.042 0.000 0.638 826 A CB -1.062 17.863 19.000 -0.125 0.000 0.831 826 A HN 0.403 nan 8.150 nan 0.000 0.450 827 D N -1.189 119.215 120.400 0.006 0.000 2.154 827 D HA -0.237 4.403 4.640 -0.000 0.000 0.190 827 D C 2.037 178.312 176.300 -0.042 0.000 1.003 827 D CA 2.052 56.055 54.000 0.005 0.000 0.849 827 D CB -0.474 40.368 40.800 0.069 0.000 0.942 827 D HN 0.579 nan 8.370 nan 0.000 0.446 828 Q N -0.943 118.826 119.800 -0.052 0.000 2.096 828 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 828 Q C 1.689 177.438 176.000 -0.419 0.000 0.982 828 Q CA 1.467 57.123 55.803 -0.244 0.000 0.850 828 Q CB -0.286 28.283 28.738 -0.282 0.000 0.901 828 Q HN 0.352 nan 8.270 nan 0.000 0.422 829 F N -1.911 118.030 119.950 -0.016 0.000 2.694 829 F HA 0.253 4.780 4.527 -0.000 0.000 0.292 829 F C 1.193 176.983 175.800 -0.017 0.000 1.121 829 F CA 0.151 58.144 58.000 -0.011 0.000 1.352 829 F CB 0.540 39.529 39.000 -0.020 0.000 1.107 829 F HN -0.036 nan 8.300 nan 0.000 0.597 830 L N -0.806 120.479 121.223 0.103 0.000 2.766 830 L HA 0.480 4.820 4.340 -0.000 0.000 0.242 830 L C 0.882 177.747 176.870 -0.009 0.000 1.136 830 L CA 0.132 54.998 54.840 0.043 0.000 0.933 830 L CB -0.453 41.617 42.059 0.019 0.000 1.241 830 L HN 0.152 nan 8.230 nan 0.000 0.522 831 G N 1.205 109.984 108.800 -0.035 0.000 2.846 831 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.660 831 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.660 831 G C -0.405 174.446 174.900 -0.080 0.000 1.464 831 G CA -0.329 44.730 45.100 -0.068 0.000 0.891 831 G HN 0.411 nan 8.290 nan 0.000 0.552 832 A N 0.929 123.660 122.820 -0.148 0.000 2.431 832 A HA 0.632 4.952 4.320 -0.000 0.000 0.318 832 A C 1.280 178.670 177.584 -0.323 0.000 1.330 832 A CA 0.368 52.236 52.037 -0.281 0.000 0.804 832 A CB 0.422 19.120 19.000 -0.503 0.000 1.135 832 A HN 0.903 nan 8.150 nan 0.000 0.483 833 M N 1.473 121.000 119.600 -0.121 0.000 2.099 833 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 833 M C 1.830 178.066 176.300 -0.106 0.000 1.067 833 M CA 1.893 57.152 55.300 -0.068 0.000 1.124 833 M CB -2.022 30.596 32.600 0.031 0.000 1.353 833 M HN 0.972 nan 8.290 nan 0.000 0.410 834 Y N 1.986 122.210 120.300 -0.127 0.000 2.651 834 Y HA -0.033 4.517 4.550 -0.000 0.000 0.293 834 Y C 1.891 177.617 175.900 -0.290 0.000 1.151 834 Y CA 1.214 59.215 58.100 -0.165 0.000 1.362 834 Y CB -2.114 36.253 38.460 -0.155 0.000 0.973 834 Y HN 0.394 nan 8.280 nan 0.000 0.561 835 T N -2.954 111.227 114.554 -0.621 0.000 3.122 835 T HA 0.311 4.661 4.350 -0.000 0.000 0.250 835 T C 0.259 174.763 174.700 -0.326 0.000 1.067 835 T CA -0.236 61.530 62.100 -0.557 0.000 0.966 835 T CB -0.114 68.413 68.868 -0.568 0.000 1.002 835 T HN 0.048 nan 8.240 nan 0.000 0.542 836 L N 0.000 121.085 121.223 -0.229 0.000 2.949 836 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 836 L CA 0.000 54.760 54.840 -0.133 0.000 0.813 836 L CB 0.000 41.997 42.059 -0.104 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502