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 2xaj_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 0.000 177.178 177.300 -0.203 0.000 1.155 171 P CA 0.000 62.897 63.100 -0.338 0.000 0.800 171 P CB 0.000 31.505 31.700 -0.324 0.000 0.726 172 S N -1.719 113.896 115.700 -0.141 0.000 2.550 172 S HA 0.724 5.194 4.470 -0.000 0.000 0.270 172 S C -0.113 174.439 174.600 -0.080 0.000 1.145 172 S CA 1.028 59.175 58.200 -0.087 0.000 0.852 172 S CB 1.216 64.373 63.200 -0.072 0.000 1.119 172 S HN 1.477 nan 8.310 nan 0.000 0.465 173 G N 1.728 110.493 108.800 -0.058 0.000 2.601 173 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.224 173 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.224 173 G C 0.925 175.777 174.900 -0.080 0.000 1.171 173 G CA 0.633 45.697 45.100 -0.061 0.000 1.009 173 G HN 1.791 nan 8.290 nan 0.000 0.589 174 V N -1.379 118.463 119.914 -0.121 0.000 2.307 174 V HA 0.066 4.186 4.120 -0.000 0.000 0.245 174 V C 2.370 178.391 176.094 -0.121 0.000 1.045 174 V CA 2.951 65.142 62.300 -0.183 0.000 1.024 174 V CB -1.186 30.421 31.823 -0.360 0.000 0.651 174 V HN 0.717 nan 8.190 nan 0.000 0.449 175 E N 1.589 121.717 120.200 -0.121 0.000 2.267 175 E HA -0.042 4.308 4.350 -0.000 0.000 0.197 175 E C 2.254 178.857 176.600 0.005 0.000 0.998 175 E CA 1.302 57.647 56.400 -0.091 0.000 0.830 175 E CB -0.713 28.793 29.700 -0.324 0.000 0.751 175 E HN 0.727 nan 8.360 nan 0.000 0.491 176 G N 1.409 110.202 108.800 -0.012 0.000 2.480 176 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.216 176 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.216 176 G C 1.719 176.707 174.900 0.147 0.000 1.200 176 G CA 1.052 46.189 45.100 0.062 0.000 0.782 176 G HN 0.390 nan 8.290 nan 0.000 0.554 177 A N 1.197 124.054 122.820 0.062 0.000 1.903 177 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 177 A C 2.846 180.478 177.584 0.080 0.000 1.191 177 A CA 2.910 54.981 52.037 0.056 0.000 0.638 177 A CB -0.981 18.023 19.000 0.006 0.000 0.823 177 A HN 1.001 nan 8.150 nan 0.000 0.451 178 A N -1.156 121.714 122.820 0.083 0.000 1.877 178 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 178 A C 2.122 179.795 177.584 0.148 0.000 1.186 178 A CA 1.686 53.781 52.037 0.097 0.000 0.620 178 A CB -0.772 18.294 19.000 0.110 0.000 0.822 178 A HN 0.933 nan 8.150 nan 0.000 0.443 179 F N 0.754 120.742 119.950 0.063 0.000 2.146 179 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 179 F C 2.225 178.067 175.800 0.070 0.000 1.096 179 F CA 2.111 60.158 58.000 0.079 0.000 1.275 179 F CB -0.315 38.729 39.000 0.075 0.000 1.008 179 F HN 0.318 nan 8.300 nan 0.000 0.480 180 Q N 0.422 120.244 119.800 0.037 0.000 2.437 180 Q HA -0.065 4.275 4.340 -0.000 0.000 0.210 180 Q C 1.223 177.146 176.000 -0.129 0.000 0.972 180 Q CA 1.583 57.316 55.803 -0.116 0.000 0.903 180 Q CB -0.462 28.322 28.738 0.077 0.000 0.967 180 Q HN 0.330 nan 8.270 nan 0.000 0.486 181 S N -0.203 115.461 115.700 -0.060 0.000 2.568 181 S HA 0.276 4.746 4.470 -0.000 0.000 0.232 181 S C -0.455 174.123 174.600 -0.035 0.000 0.975 181 S CA -0.112 58.080 58.200 -0.014 0.000 0.949 181 S CB 0.049 63.281 63.200 0.053 0.000 0.829 181 S HN 0.512 nan 8.310 nan 0.000 0.479 182 R N 0.049 120.499 120.500 -0.083 0.000 3.776 182 R HA -0.162 4.178 4.340 -0.000 0.000 0.312 182 R C -1.113 175.223 176.300 0.059 0.000 1.181 182 R CA 0.564 56.666 56.100 0.005 0.000 0.836 182 R CB -2.279 28.071 30.300 0.084 0.000 1.324 182 R HN 0.298 nan 8.270 nan 0.000 0.501 183 L N 0.585 121.839 121.223 0.052 0.000 2.365 183 L HA 0.553 4.892 4.340 -0.000 0.000 0.273 183 L C -2.051 174.870 176.870 0.085 0.000 1.000 183 L CA -2.508 52.374 54.840 0.069 0.000 0.819 183 L CB 1.510 43.598 42.059 0.048 0.000 1.284 183 L HN -0.254 nan 8.230 nan 0.000 0.418 184 P HA -0.027 nan 4.420 nan 0.000 0.261 184 P C 0.067 177.337 177.300 -0.050 0.000 1.203 184 P CA 0.072 63.172 63.100 -0.001 0.000 0.767 184 P CB 0.331 32.008 31.700 -0.039 0.000 0.785 185 H N 2.598 121.689 119.070 0.036 0.000 2.457 185 H HA -0.150 4.406 4.556 -0.000 0.000 0.297 185 H C 0.614 175.925 175.328 -0.028 0.000 1.092 185 H CA 1.904 57.949 56.048 -0.006 0.000 1.309 185 H CB -0.502 29.265 29.762 0.007 0.000 1.382 185 H HN 0.305 nan 8.280 nan 0.000 0.535 186 D N -0.897 119.199 120.400 -0.508 0.000 2.501 186 D HA 0.183 4.823 4.640 -0.000 0.000 0.224 186 D C 0.265 176.476 176.300 -0.148 0.000 1.202 186 D CA -0.417 53.421 54.000 -0.269 0.000 0.829 186 D CB 0.299 40.867 40.800 -0.388 0.000 1.023 186 D HN 0.397 nan 8.370 nan 0.000 0.499 187 R N -0.218 120.206 120.500 -0.128 0.000 2.668 187 R HA 0.491 4.830 4.340 -0.000 0.000 0.272 187 R C -1.126 175.159 176.300 -0.026 0.000 1.019 187 R CA -0.692 55.375 56.100 -0.055 0.000 0.894 187 R CB 1.871 32.138 30.300 -0.055 0.000 1.228 187 R HN -0.073 nan 8.270 nan 0.000 0.460 188 M N 2.404 122.024 119.600 0.033 0.000 2.211 188 M HA 0.197 4.677 4.480 -0.000 0.000 0.356 188 M C 0.513 176.854 176.300 0.068 0.000 1.216 188 M CA -0.226 55.125 55.300 0.084 0.000 1.134 188 M CB 1.585 34.293 32.600 0.181 0.000 1.564 188 M HN 0.708 nan 8.290 nan 0.000 0.463 189 T N -1.039 113.562 114.554 0.078 0.000 2.788 189 T HA 0.112 4.462 4.350 -0.000 0.000 0.287 189 T C 1.117 175.868 174.700 0.085 0.000 1.007 189 T CA -0.659 61.489 62.100 0.080 0.000 1.005 189 T CB 1.114 70.041 68.868 0.098 0.000 1.012 189 T HN 0.676 nan 8.240 nan 0.000 0.530 190 S N 0.188 115.932 115.700 0.073 0.000 2.382 190 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 190 S C 2.060 176.709 174.600 0.083 0.000 1.027 190 S CA 1.755 59.994 58.200 0.065 0.000 0.991 190 S CB -0.667 62.562 63.200 0.049 0.000 0.823 190 S HN 0.904 nan 8.310 nan 0.000 0.469 191 Q N -0.121 119.739 119.800 0.100 0.000 2.451 191 Q HA 0.183 4.523 4.340 -0.000 0.000 0.206 191 Q C 1.575 177.716 176.000 0.236 0.000 0.947 191 Q CA 1.025 56.905 55.803 0.128 0.000 0.937 191 Q CB -0.150 28.625 28.738 0.062 0.000 1.025 191 Q HN 0.524 nan 8.270 nan 0.000 0.511 192 E N 0.712 121.030 120.200 0.196 0.000 2.051 192 E HA -0.031 4.319 4.350 -0.000 0.000 0.189 192 E C 2.013 178.729 176.600 0.192 0.000 0.979 192 E CA 0.920 57.410 56.400 0.148 0.000 0.803 192 E CB -0.154 29.602 29.700 0.094 0.000 0.761 192 E HN 0.520 nan 8.360 nan 0.000 0.451 193 A N 1.544 124.438 122.820 0.124 0.000 1.927 193 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 193 A C 2.406 180.040 177.584 0.085 0.000 1.185 193 A CA 2.058 54.148 52.037 0.088 0.000 0.639 193 A CB -1.019 18.018 19.000 0.061 0.000 0.820 193 A HN 0.338 nan 8.150 nan 0.000 0.451 194 A N -1.239 121.639 122.820 0.096 0.000 1.940 194 A HA -0.274 4.046 4.320 -0.000 0.000 0.221 194 A C 2.155 179.771 177.584 0.053 0.000 1.190 194 A CA 2.179 54.262 52.037 0.077 0.000 0.647 194 A CB -1.163 17.898 19.000 0.102 0.000 0.821 194 A HN 0.824 nan 8.150 nan 0.000 0.457 195 C N -3.518 115.838 119.300 0.094 0.000 3.065 195 C HA 0.446 4.906 4.460 -0.000 0.000 0.285 195 C C 0.460 175.174 174.990 -0.460 0.000 1.257 195 C CA -0.528 58.428 59.018 -0.102 0.000 1.691 195 C CB -1.046 26.716 27.740 0.035 0.000 2.089 195 C HN 0.458 nan 8.230 nan 0.000 0.630 196 F N 0.998 120.866 119.950 -0.136 0.000 2.679 196 F HA 0.320 4.847 4.527 -0.000 0.000 0.354 196 F C -1.833 173.860 175.800 -0.178 0.000 1.423 196 F CA -2.004 55.858 58.000 -0.229 0.000 1.141 196 F CB -0.160 38.539 39.000 -0.501 0.000 1.168 196 F HN 0.007 nan 8.300 nan 0.000 0.530 197 P HA -0.153 nan 4.420 nan 0.000 0.220 197 P C 1.396 178.686 177.300 -0.016 0.000 1.148 197 P CA 1.420 64.512 63.100 -0.012 0.000 0.803 197 P CB 0.155 31.837 31.700 -0.031 0.000 0.782 198 D N 0.302 120.686 120.400 -0.027 0.000 2.087 198 D HA -0.189 4.451 4.640 -0.000 0.000 0.192 198 D C 1.948 178.240 176.300 -0.013 0.000 0.993 198 D CA 1.303 55.292 54.000 -0.019 0.000 0.828 198 D CB -1.073 39.714 40.800 -0.021 0.000 0.968 198 D HN 0.184 nan 8.370 nan 0.000 0.448 199 I N 0.710 121.266 120.570 -0.024 0.000 2.113 199 I HA -0.208 3.962 4.170 -0.000 0.000 0.238 199 I C 2.949 179.044 176.117 -0.038 0.000 1.070 199 I CA 0.751 62.015 61.300 -0.061 0.000 1.332 199 I CB -0.280 37.594 38.000 -0.210 0.000 1.044 199 I HN -0.065 nan 8.210 nan 0.000 0.402 200 I N 0.772 121.318 120.570 -0.040 0.000 2.315 200 I HA -0.334 3.836 4.170 -0.000 0.000 0.251 200 I C 2.578 178.701 176.117 0.009 0.000 1.125 200 I CA 1.873 63.173 61.300 0.001 0.000 1.392 200 I CB 0.008 38.017 38.000 0.014 0.000 1.065 200 I HN 0.335 nan 8.210 nan 0.000 0.424 201 S N -0.482 115.220 115.700 0.003 0.000 2.528 201 S HA 0.172 4.642 4.470 -0.000 0.000 0.219 201 S C 1.149 175.754 174.600 0.008 0.000 0.985 201 S CA 0.077 58.281 58.200 0.006 0.000 0.914 201 S CB -0.553 62.648 63.200 0.001 0.000 0.776 201 S HN 0.390 nan 8.310 nan 0.000 0.526 202 G N 2.071 110.876 108.800 0.008 0.000 2.557 202 G HA2 0.532 4.492 3.960 -0.000 0.000 0.292 202 G HA3 0.532 4.492 3.960 -0.000 0.000 0.292 202 G C -2.808 172.104 174.900 0.021 0.000 1.237 202 G CA -1.952 43.156 45.100 0.013 0.000 0.978 202 G HN 0.211 nan 8.290 nan 0.000 0.498 203 P HA -0.041 nan 4.420 nan 0.000 0.259 203 P C 0.721 178.046 177.300 0.042 0.000 1.163 203 P CA 0.044 63.163 63.100 0.030 0.000 0.760 203 P CB 0.737 32.455 31.700 0.030 0.000 0.762 204 Q N 2.245 122.070 119.800 0.041 0.000 2.182 204 Q HA -0.277 4.063 4.340 -0.000 0.000 0.213 204 Q C 1.863 177.901 176.000 0.063 0.000 1.000 204 Q CA 1.982 57.814 55.803 0.049 0.000 0.889 204 Q CB -0.483 28.280 28.738 0.041 0.000 0.932 204 Q HN 0.511 nan 8.270 nan 0.000 0.415 205 Q N 0.170 120.005 119.800 0.059 0.000 1.985 205 Q HA -0.149 4.191 4.340 -0.000 0.000 0.207 205 Q C 2.026 178.082 176.000 0.092 0.000 0.996 205 Q CA 3.049 58.894 55.803 0.069 0.000 0.851 205 Q CB -0.966 27.803 28.738 0.053 0.000 0.921 205 Q HN 0.589 nan 8.270 nan 0.000 0.418 206 T N -1.402 113.203 114.554 0.085 0.000 2.720 206 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 206 T C 1.821 176.604 174.700 0.138 0.000 1.037 206 T CA 1.622 63.784 62.100 0.102 0.000 1.144 206 T CB -0.489 68.423 68.868 0.072 0.000 0.864 206 T HN 0.452 nan 8.240 nan 0.000 0.444 207 Q N 1.064 120.938 119.800 0.123 0.000 2.133 207 Q HA -0.144 4.196 4.340 -0.000 0.000 0.208 207 Q C 2.492 178.607 176.000 0.192 0.000 0.991 207 Q CA 1.691 57.597 55.803 0.172 0.000 0.867 207 Q CB -0.258 28.552 28.738 0.120 0.000 0.911 207 Q HN 0.603 nan 8.270 nan 0.000 0.417 208 K N -0.055 120.429 120.400 0.140 0.000 2.217 208 K HA -0.055 4.264 4.320 -0.000 0.000 0.202 208 K C 2.085 178.765 176.600 0.133 0.000 1.051 208 K CA 0.931 57.292 56.287 0.123 0.000 0.952 208 K CB 0.158 32.729 32.500 0.118 0.000 0.736 208 K HN 0.061 nan 8.250 nan 0.000 0.453 209 V N 1.302 121.322 119.914 0.177 0.000 2.270 209 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 209 V C 2.029 178.203 176.094 0.134 0.000 1.043 209 V CA 1.624 64.035 62.300 0.186 0.000 1.014 209 V CB -0.706 31.271 31.823 0.257 0.000 0.645 209 V HN 0.195 nan 8.190 nan 0.000 0.447 210 F N 1.182 121.138 119.950 0.009 0.000 2.043 210 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 210 F C 2.088 177.843 175.800 -0.076 0.000 1.121 210 F CA 1.696 59.658 58.000 -0.063 0.000 1.199 210 F CB -0.838 38.083 39.000 -0.132 0.000 0.968 210 F HN 0.025 nan 8.300 nan 0.000 0.478 211 L N -0.807 120.176 121.223 -0.400 0.000 1.997 211 L HA -0.287 4.053 4.340 -0.000 0.000 0.216 211 L C 2.572 179.265 176.870 -0.295 0.000 1.074 211 L CA 2.146 56.703 54.840 -0.472 0.000 0.763 211 L CB -1.100 40.845 42.059 -0.189 0.000 0.890 211 L HN 0.303 nan 8.230 nan 0.000 0.434 212 F N 0.635 120.404 119.950 -0.302 0.000 2.065 212 F HA -0.297 4.230 4.527 -0.000 0.000 0.298 212 F C 2.356 177.970 175.800 -0.311 0.000 1.112 212 F CA 1.772 59.568 58.000 -0.341 0.000 1.212 212 F CB -0.133 38.503 39.000 -0.606 0.000 0.975 212 F HN -0.089 nan 8.300 nan 0.000 0.476 213 I N 0.284 120.883 120.570 0.049 0.000 2.118 213 I HA -0.370 3.800 4.170 -0.000 0.000 0.241 213 I C 2.742 178.821 176.117 -0.064 0.000 1.070 213 I CA 1.702 63.052 61.300 0.084 0.000 1.327 213 I CB -0.780 37.303 38.000 0.137 0.000 1.034 213 I HN 0.176 nan 8.210 nan 0.000 0.405 214 R N 1.496 121.868 120.500 -0.212 0.000 2.097 214 R HA -0.232 4.108 4.340 -0.000 0.000 0.236 214 R C 2.044 178.234 176.300 -0.184 0.000 1.135 214 R CA 2.485 58.442 56.100 -0.238 0.000 0.934 214 R CB -0.629 29.361 30.300 -0.517 0.000 0.846 214 R HN 0.366 nan 8.270 nan 0.000 0.431 215 N N 0.590 119.133 118.700 -0.262 0.000 2.104 215 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 215 N C 1.870 177.222 175.510 -0.263 0.000 1.024 215 N CA 1.513 54.419 53.050 -0.241 0.000 0.853 215 N CB -0.471 37.838 38.487 -0.296 0.000 1.008 215 N HN 0.210 nan 8.380 nan 0.000 0.424 216 R N 0.695 120.951 120.500 -0.406 0.000 2.066 216 R HA 0.016 4.355 4.340 -0.000 0.000 0.232 216 R C 1.876 178.116 176.300 -0.101 0.000 1.131 216 R CA 1.840 57.727 56.100 -0.354 0.000 0.955 216 R CB -1.018 29.002 30.300 -0.467 0.000 0.851 216 R HN 0.211 nan 8.270 nan 0.000 0.432 217 T N 1.304 115.843 114.554 -0.026 0.000 2.720 217 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 217 T C 1.841 176.601 174.700 0.099 0.000 1.037 217 T CA 1.640 63.787 62.100 0.077 0.000 1.144 217 T CB -0.312 68.626 68.868 0.117 0.000 0.864 217 T HN 0.130 nan 8.240 nan 0.000 0.444 218 L N 0.808 122.068 121.223 0.060 0.000 1.989 218 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 218 L C 3.012 179.950 176.870 0.112 0.000 1.071 218 L CA 1.782 56.694 54.840 0.120 0.000 0.749 218 L CB -0.675 41.425 42.059 0.067 0.000 0.890 218 L HN 0.302 nan 8.230 nan 0.000 0.431 219 Q N 0.197 120.007 119.800 0.017 0.000 2.096 219 Q HA -0.270 4.069 4.340 -0.000 0.000 0.208 219 Q C 2.295 178.295 176.000 0.001 0.000 0.993 219 Q CA 1.991 57.785 55.803 -0.015 0.000 0.862 219 Q CB -0.205 28.491 28.738 -0.069 0.000 0.915 219 Q HN 0.426 nan 8.270 nan 0.000 0.416 220 L N -0.082 121.163 121.223 0.037 0.000 1.994 220 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 220 L C 2.389 179.304 176.870 0.075 0.000 1.071 220 L CA 1.944 56.817 54.840 0.055 0.000 0.745 220 L CB -0.870 41.244 42.059 0.091 0.000 0.892 220 L HN 0.544 nan 8.230 nan 0.000 0.431 221 W N 0.562 121.843 121.300 -0.032 0.000 2.338 221 W HA -0.246 4.414 4.660 -0.000 0.000 0.304 221 W C 2.020 178.493 176.519 -0.076 0.000 1.212 221 W CA 1.506 58.813 57.345 -0.064 0.000 1.264 221 W CB -0.211 29.201 29.460 -0.079 0.000 1.142 221 W HN 0.144 nan 8.180 nan 0.000 0.512 222 L N 0.724 121.776 121.223 -0.286 0.000 2.027 222 L HA -0.220 4.120 4.340 -0.000 0.000 0.206 222 L C 2.284 178.952 176.870 -0.337 0.000 1.074 222 L CA 1.579 56.179 54.840 -0.400 0.000 0.745 222 L CB -1.117 40.861 42.059 -0.135 0.000 0.898 222 L HN -0.188 nan 8.230 nan 0.000 0.433 223 D N 0.125 120.407 120.400 -0.197 0.000 2.315 223 D HA -0.143 4.497 4.640 -0.000 0.000 0.211 223 D C 0.381 176.572 176.300 -0.182 0.000 0.977 223 D CA 1.063 54.975 54.000 -0.147 0.000 0.894 223 D CB -0.165 40.586 40.800 -0.082 0.000 0.910 223 D HN 0.179 nan 8.370 nan 0.000 0.490 224 N N -1.186 117.347 118.700 -0.279 0.000 3.112 224 N HA 0.082 4.821 4.740 -0.000 0.000 0.231 224 N C -2.784 172.452 175.510 -0.456 0.000 1.385 224 N CA -0.930 51.961 53.050 -0.265 0.000 0.790 224 N CB 1.364 39.772 38.487 -0.131 0.000 1.563 224 N HN -0.246 nan 8.380 nan 0.000 0.613 225 P HA 0.329 nan 4.420 nan 0.000 0.289 225 P C 0.175 177.237 177.300 -0.396 0.000 1.599 225 P CA -0.012 62.456 63.100 -1.052 0.000 1.239 225 P CB 0.468 31.320 31.700 -1.413 0.000 1.581 226 K N 0.527 120.824 120.400 -0.172 0.000 2.374 226 K HA 0.226 4.546 4.320 -0.000 0.000 0.196 226 K C 0.814 177.464 176.600 0.085 0.000 1.023 226 K CA 0.217 56.494 56.287 -0.017 0.000 1.103 226 K CB 0.281 32.761 32.500 -0.034 0.000 0.848 226 K HN 0.348 nan 8.250 nan 0.000 0.528 227 I N -2.816 117.822 120.570 0.113 0.000 2.865 227 I HA 0.273 4.443 4.170 -0.000 0.000 0.302 227 I C -0.406 175.864 176.117 0.254 0.000 1.140 227 I CA -1.210 60.195 61.300 0.176 0.000 1.021 227 I CB 1.730 39.791 38.000 0.102 0.000 1.233 227 I HN -0.207 nan 8.210 nan 0.000 0.427 228 Q N 2.773 122.705 119.800 0.220 0.000 2.361 228 Q HA 0.289 4.629 4.340 -0.000 0.000 0.276 228 Q C -1.302 174.763 176.000 0.109 0.000 1.022 228 Q CA -0.289 55.559 55.803 0.075 0.000 0.898 228 Q CB 1.166 29.957 28.738 0.088 0.000 1.246 228 Q HN 0.750 nan 8.270 nan 0.000 0.410 229 L N 4.623 125.896 121.223 0.084 0.000 2.277 229 L HA 0.320 4.660 4.340 -0.000 0.000 0.284 229 L C -0.343 176.663 176.870 0.227 0.000 1.028 229 L CA -0.128 54.810 54.840 0.164 0.000 0.835 229 L CB 1.162 43.361 42.059 0.232 0.000 1.215 229 L HN 0.809 nan 8.230 nan 0.000 0.425 230 T N 0.690 115.329 114.554 0.142 0.000 2.788 230 T HA 0.093 4.443 4.350 -0.000 0.000 0.287 230 T C 1.012 175.640 174.700 -0.121 0.000 1.007 230 T CA -0.210 61.940 62.100 0.083 0.000 1.005 230 T CB 0.471 69.370 68.868 0.052 0.000 1.012 230 T HN 0.430 nan 8.240 nan 0.000 0.530 231 F N 1.459 121.114 119.950 -0.491 0.000 2.134 231 F HA 0.041 4.568 4.527 -0.000 0.000 0.299 231 F C 1.978 177.660 175.800 -0.196 0.000 1.097 231 F CA 1.406 59.059 58.000 -0.578 0.000 1.264 231 F CB -0.861 37.978 39.000 -0.269 0.000 1.001 231 F HN 0.652 nan 8.300 nan 0.000 0.479 232 E N 0.945 120.973 120.200 -0.286 0.000 2.012 232 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 232 E C 2.437 178.910 176.600 -0.211 0.000 1.007 232 E CA 1.766 57.979 56.400 -0.313 0.000 0.816 232 E CB -1.234 28.382 29.700 -0.140 0.000 0.762 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 A N 0.361 123.123 122.820 -0.096 0.000 2.009 233 A HA -0.291 4.029 4.320 -0.000 0.000 0.222 233 A C 2.321 179.890 177.584 -0.024 0.000 1.175 233 A CA 2.401 54.417 52.037 -0.035 0.000 0.651 233 A CB -1.150 17.860 19.000 0.017 0.000 0.815 233 A HN 0.323 nan 8.150 nan 0.000 0.459 234 T N -0.413 114.116 114.554 -0.042 0.000 2.698 234 T HA -0.069 4.281 4.350 -0.000 0.000 0.260 234 T C 1.834 176.524 174.700 -0.017 0.000 1.044 234 T CA 1.293 63.408 62.100 0.024 0.000 1.149 234 T CB -0.419 68.520 68.868 0.119 0.000 0.864 234 T HN 0.304 nan 8.240 nan 0.000 0.419 235 L N 1.550 122.682 121.223 -0.152 0.000 2.043 235 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 235 L C 2.448 179.273 176.870 -0.076 0.000 1.075 235 L CA 1.835 56.587 54.840 -0.147 0.000 0.752 235 L CB -1.118 40.716 42.059 -0.374 0.000 0.891 235 L HN 0.156 nan 8.230 nan 0.000 0.432 236 Q N -0.128 119.615 119.800 -0.095 0.000 1.968 236 Q HA -0.344 3.996 4.340 -0.000 0.000 0.216 236 Q C 2.302 178.303 176.000 0.001 0.000 1.037 236 Q CA 2.709 58.485 55.803 -0.044 0.000 0.889 236 Q CB -0.627 28.086 28.738 -0.041 0.000 0.998 236 Q HN 0.610 nan 8.270 nan 0.000 0.417 237 Q N -0.656 119.158 119.800 0.023 0.000 2.488 237 Q HA 0.178 4.517 4.340 -0.000 0.000 0.211 237 Q C 0.043 176.100 176.000 0.095 0.000 0.967 237 Q CA -0.030 55.805 55.803 0.054 0.000 0.926 237 Q CB 0.102 28.874 28.738 0.057 0.000 0.992 237 Q HN 0.334 nan 8.270 nan 0.000 0.506 238 L N 0.569 121.853 121.223 0.103 0.000 2.476 238 L HA 0.098 4.438 4.340 -0.000 0.000 0.255 238 L C 0.234 177.188 176.870 0.141 0.000 1.218 238 L CA -0.009 54.931 54.840 0.167 0.000 0.819 238 L CB 0.715 42.881 42.059 0.178 0.000 1.119 238 L HN 0.141 nan 8.230 nan 0.000 0.485 239 E N 0.632 120.942 120.200 0.183 0.000 2.256 239 E HA 0.428 4.778 4.350 -0.000 0.000 0.267 239 E C -0.739 175.867 176.600 0.010 0.000 0.892 239 E CA -0.699 55.756 56.400 0.093 0.000 0.775 239 E CB 1.978 31.737 29.700 0.098 0.000 1.207 239 E HN 0.606 nan 8.360 nan 0.000 0.420 240 A N 3.127 125.911 122.820 -0.060 0.000 2.445 240 A HA 0.317 4.637 4.320 -0.000 0.000 0.242 240 A C -1.405 175.983 177.584 -0.327 0.000 1.075 240 A CA -0.741 51.213 52.037 -0.138 0.000 0.777 240 A CB -0.143 18.800 19.000 -0.095 0.000 1.013 240 A HN 0.362 nan 8.150 nan 0.000 0.493 241 P HA -0.113 nan 4.420 nan 0.000 0.219 241 P C 0.719 177.889 177.300 -0.217 0.000 1.150 241 P CA 1.156 64.052 63.100 -0.341 0.000 0.814 241 P CB -0.174 31.296 31.700 -0.382 0.000 0.787 242 Y N 2.035 122.281 120.300 -0.091 0.000 2.030 242 Y HA -0.253 4.297 4.550 -0.000 0.000 0.272 242 Y C 1.927 177.841 175.900 0.024 0.000 1.185 242 Y CA 1.527 59.597 58.100 -0.050 0.000 1.120 242 Y CB -2.452 35.928 38.460 -0.134 0.000 0.955 242 Y HN 0.156 nan 8.280 nan 0.000 0.495 243 N N 0.704 119.505 118.700 0.169 0.000 2.535 243 N HA -0.070 4.669 4.740 -0.000 0.000 0.203 243 N C 1.102 176.658 175.510 0.076 0.000 1.301 243 N CA 0.785 53.908 53.050 0.122 0.000 0.859 243 N CB -0.571 37.971 38.487 0.092 0.000 1.055 243 N HN 0.469 nan 8.380 nan 0.000 0.457 244 S N -0.722 115.018 115.700 0.068 0.000 2.336 244 S HA -0.092 4.378 4.470 -0.000 0.000 0.216 244 S C 0.590 175.236 174.600 0.077 0.000 1.032 244 S CA 0.297 58.526 58.200 0.049 0.000 0.973 244 S CB -0.538 62.675 63.200 0.023 0.000 0.888 244 S HN 0.231 nan 8.310 nan 0.000 0.455 245 D N 2.167 122.630 120.400 0.105 0.000 2.374 245 D HA 0.265 4.905 4.640 -0.000 0.000 0.240 245 D C 1.125 177.526 176.300 0.167 0.000 1.229 245 D CA 0.368 54.441 54.000 0.122 0.000 0.895 245 D CB 1.209 42.083 40.800 0.123 0.000 1.046 245 D HN 0.497 nan 8.370 nan 0.000 0.498 246 T N -0.372 114.283 114.554 0.167 0.000 3.081 246 T HA -0.056 4.294 4.350 -0.000 0.000 0.255 246 T C 1.846 176.721 174.700 0.292 0.000 1.113 246 T CA 0.698 62.949 62.100 0.252 0.000 1.082 246 T CB -0.263 68.737 68.868 0.220 0.000 0.939 246 T HN 0.202 nan 8.240 nan 0.000 0.506 247 V N -0.359 119.674 119.914 0.199 0.000 2.379 247 V HA 0.040 4.160 4.120 -0.000 0.000 0.245 247 V C 2.435 178.657 176.094 0.214 0.000 1.044 247 V CA 0.709 63.119 62.300 0.184 0.000 1.036 247 V CB -1.350 30.546 31.823 0.122 0.000 0.664 247 V HN 0.299 nan 8.190 nan 0.000 0.453 248 L N 0.481 121.831 121.223 0.213 0.000 1.990 248 L HA -0.147 4.193 4.340 -0.000 0.000 0.213 248 L C 2.611 179.661 176.870 0.299 0.000 1.072 248 L CA 2.297 57.285 54.840 0.247 0.000 0.755 248 L CB -0.743 41.451 42.059 0.225 0.000 0.889 248 L HN 0.248 nan 8.230 nan 0.000 0.432 249 V N -1.129 118.988 119.914 0.338 0.000 2.252 249 V HA -0.386 3.734 4.120 -0.000 0.000 0.249 249 V C 2.475 178.818 176.094 0.416 0.000 1.056 249 V CA 2.194 64.758 62.300 0.441 0.000 1.022 249 V CB -1.001 31.146 31.823 0.540 0.000 0.641 249 V HN 0.570 nan 8.190 nan 0.000 0.445 250 H N 0.562 119.673 119.070 0.068 0.000 2.290 250 H HA -0.130 4.426 4.556 -0.000 0.000 0.298 250 H C 2.504 177.765 175.328 -0.112 0.000 1.087 250 H CA 2.237 57.956 56.048 -0.548 0.000 1.291 250 H CB -0.209 29.153 29.762 -0.667 0.000 1.369 250 H HN 0.247 nan 8.280 nan 0.000 0.492 251 R N -0.680 119.869 120.500 0.081 0.000 2.103 251 R HA -0.137 4.203 4.340 -0.000 0.000 0.242 251 R C 2.444 178.940 176.300 0.327 0.000 1.142 251 R CA 1.596 57.797 56.100 0.169 0.000 0.960 251 R CB -0.419 30.034 30.300 0.255 0.000 0.858 251 R HN 0.207 nan 8.270 nan 0.000 0.439 252 V N 0.047 120.177 119.914 0.360 0.000 2.255 252 V HA -0.245 3.875 4.120 -0.000 0.000 0.243 252 V C 2.383 178.620 176.094 0.238 0.000 1.038 252 V CA 1.861 64.367 62.300 0.343 0.000 1.008 252 V CB -0.724 31.267 31.823 0.281 0.000 0.645 252 V HN 0.471 nan 8.190 nan 0.000 0.449 253 H N 0.039 119.172 119.070 0.106 0.000 2.489 253 H HA -0.119 4.436 4.556 -0.000 0.000 0.295 253 H C 2.216 177.489 175.328 -0.091 0.000 1.082 253 H CA 1.885 57.967 56.048 0.055 0.000 1.295 253 H CB 0.197 30.059 29.762 0.168 0.000 1.380 253 H HN 0.430 nan 8.280 nan 0.000 0.548 254 S N -0.076 115.534 115.700 -0.151 0.000 2.348 254 S HA -0.122 4.347 4.470 -0.000 0.000 0.219 254 S C 1.895 176.173 174.600 -0.536 0.000 1.033 254 S CA 0.755 58.741 58.200 -0.357 0.000 0.974 254 S CB -0.782 62.176 63.200 -0.403 0.000 0.868 254 S HN 0.617 nan 8.310 nan 0.000 0.459 255 Y N 2.870 122.751 120.300 -0.697 0.000 2.096 255 Y HA -0.275 4.275 4.550 -0.000 0.000 0.278 255 Y C 1.870 177.599 175.900 -0.286 0.000 1.192 255 Y CA 1.620 59.338 58.100 -0.637 0.000 1.143 255 Y CB -0.587 37.851 38.460 -0.037 0.000 0.963 255 Y HN 0.137 nan 8.280 nan 0.000 0.505 256 L N 0.111 121.262 121.223 -0.121 0.000 1.970 256 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 256 L C 2.598 179.255 176.870 -0.355 0.000 1.071 256 L CA 2.113 56.822 54.840 -0.218 0.000 0.751 256 L CB -0.930 41.068 42.059 -0.102 0.000 0.889 256 L HN 0.331 nan 8.230 nan 0.000 0.432 257 E N 0.340 120.271 120.200 -0.448 0.000 2.147 257 E HA -0.316 4.034 4.350 -0.000 0.000 0.199 257 E C 2.228 178.683 176.600 -0.241 0.000 1.005 257 E CA 1.705 57.867 56.400 -0.398 0.000 0.810 257 E CB 0.027 29.455 29.700 -0.453 0.000 0.736 257 E HN 0.167 nan 8.360 nan 0.000 0.460 258 R N 0.063 120.308 120.500 -0.424 0.000 2.062 258 R HA -0.056 4.283 4.340 -0.000 0.000 0.229 258 R C 0.908 176.980 176.300 -0.380 0.000 1.128 258 R CA 2.042 57.834 56.100 -0.513 0.000 0.960 258 R CB -0.564 29.247 30.300 -0.816 0.000 0.855 258 R HN 0.350 nan 8.270 nan 0.000 0.432 259 H N -0.570 118.338 119.070 -0.271 0.000 2.708 259 H HA 0.318 4.874 4.556 -0.000 0.000 0.309 259 H C 0.529 175.742 175.328 -0.191 0.000 1.084 259 H CA 0.381 56.293 56.048 -0.226 0.000 1.165 259 H CB 0.026 29.566 29.762 -0.369 0.000 1.388 259 H HN 0.528 nan 8.280 nan 0.000 0.553 260 G N 0.917 109.684 108.800 -0.056 0.000 2.321 260 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.287 260 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.287 260 G C 0.873 175.747 174.900 -0.042 0.000 1.018 260 G CA 0.606 45.678 45.100 -0.046 0.000 0.855 260 G HN 0.532 nan 8.290 nan 0.000 0.507 261 L N -0.935 120.246 121.223 -0.071 0.000 2.341 261 L HA 0.342 4.682 4.340 -0.000 0.000 0.214 261 L C 1.576 178.467 176.870 0.036 0.000 1.115 261 L CA 1.015 55.861 54.840 0.009 0.000 0.820 261 L CB -0.123 41.915 42.059 -0.035 0.000 0.944 261 L HN 0.619 nan 8.230 nan 0.000 0.452 262 I N -5.098 115.272 120.570 -0.333 0.000 2.865 262 I HA 0.366 4.536 4.170 -0.000 0.000 0.302 262 I C -0.795 174.543 176.117 -1.299 0.000 1.140 262 I CA -0.986 59.602 61.300 -1.187 0.000 1.021 262 I CB 1.863 39.416 38.000 -0.745 0.000 1.233 262 I HN -0.005 nan 8.210 nan 0.000 0.427 263 N N 2.699 119.950 118.700 -2.414 0.000 2.688 263 N HA -0.229 4.510 4.740 -0.000 0.000 0.258 263 N C -0.993 174.028 175.510 -0.815 0.000 1.016 263 N CA 1.197 53.119 53.050 -1.880 0.000 0.747 263 N CB -1.381 36.270 38.487 -1.393 0.000 0.895 263 N HN 0.699 nan 8.380 nan 0.000 0.543 264 F N -2.480 117.222 119.950 -0.413 0.000 2.594 264 F HA 0.846 5.373 4.527 -0.000 0.000 0.335 264 F C 1.206 177.223 175.800 0.361 0.000 1.058 264 F CA 0.052 58.107 58.000 0.092 0.000 0.981 264 F CB 0.827 39.816 39.000 -0.018 0.000 1.289 264 F HN 0.242 nan 8.300 nan 0.000 0.490 265 G N 1.209 110.286 108.800 0.463 0.000 2.514 265 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.265 265 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.265 265 G C -0.828 174.111 174.900 0.065 0.000 1.150 265 G CA -0.094 45.171 45.100 0.275 0.000 0.959 265 G HN 0.984 nan 8.290 nan 0.000 0.556 266 I N 2.231 122.844 120.570 0.071 0.000 2.460 266 I HA 0.454 4.624 4.170 -0.000 0.000 0.277 266 I C -0.148 175.989 176.117 0.034 0.000 1.057 266 I CA -0.719 60.539 61.300 -0.071 0.000 1.179 266 I CB 0.457 38.434 38.000 -0.038 0.000 1.329 266 I HN 0.527 nan 8.210 nan 0.000 0.478 267 Y N 2.971 123.316 120.300 0.075 0.000 2.568 267 Y HA 0.642 5.192 4.550 -0.000 0.000 0.327 267 Y C -0.115 175.819 175.900 0.058 0.000 1.163 267 Y CA -1.645 56.514 58.100 0.097 0.000 1.219 267 Y CB 0.591 39.156 38.460 0.174 0.000 1.308 267 Y HN 0.149 nan 8.280 nan 0.000 0.503 268 K N 1.586 122.124 120.400 0.230 0.000 2.227 268 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 268 K C -0.223 176.512 176.600 0.225 0.000 1.041 268 K CA -0.724 55.650 56.287 0.144 0.000 0.905 268 K CB 1.195 33.753 32.500 0.097 0.000 1.068 268 K HN 0.625 nan 8.250 nan 0.000 0.470 269 R N 1.945 122.550 120.500 0.176 0.000 2.873 269 R HA -0.027 4.313 4.340 -0.000 0.000 0.267 269 R C 0.966 177.351 176.300 0.141 0.000 1.009 269 R CA 0.820 57.033 56.100 0.188 0.000 1.152 269 R CB 0.323 30.690 30.300 0.112 0.000 1.047 269 R HN 0.631 nan 8.270 nan 0.000 0.470 270 I N 0.452 121.099 120.570 0.128 0.000 3.673 270 I HA 0.043 4.213 4.170 -0.000 0.000 0.281 270 I C -0.057 176.107 176.117 0.078 0.000 1.182 270 I CA 0.137 61.492 61.300 0.092 0.000 1.391 270 I CB 0.220 38.271 38.000 0.084 0.000 1.383 270 I HN 0.365 nan 8.210 nan 0.000 0.456 271 K N 3.122 123.574 120.400 0.087 0.000 2.250 271 K HA 0.366 4.686 4.320 -0.000 0.000 0.280 271 K C -2.445 174.200 176.600 0.074 0.000 1.098 271 K CA -1.611 54.721 56.287 0.075 0.000 0.916 271 K CB 0.033 32.581 32.500 0.081 0.000 1.209 271 K HN -0.086 nan 8.250 nan 0.000 0.461 272 P HA -0.083 nan 4.420 nan 0.000 0.270 272 P C -0.363 176.968 177.300 0.051 0.000 1.221 272 P CA -0.273 62.858 63.100 0.051 0.000 0.788 272 P CB 0.509 32.231 31.700 0.037 0.000 0.904 273 L N 3.031 124.280 121.223 0.044 0.000 2.565 273 L HA 0.106 4.446 4.340 -0.000 0.000 0.275 273 L C -1.550 175.346 176.870 0.043 0.000 1.137 273 L CA -1.448 53.420 54.840 0.046 0.000 0.915 273 L CB -0.957 41.122 42.059 0.033 0.000 1.232 273 L HN 0.330 nan 8.230 nan 0.000 0.473 274 P HA -0.174 nan 4.420 nan 0.000 0.264 274 P C 1.094 178.415 177.300 0.036 0.000 1.139 274 P CA 0.496 63.623 63.100 0.046 0.000 0.754 274 P CB 0.480 32.213 31.700 0.054 0.000 0.737 275 T N 2.738 117.311 114.554 0.031 0.000 2.481 275 T HA -0.255 4.095 4.350 -0.000 0.000 0.252 275 T C 0.722 175.435 174.700 0.022 0.000 1.242 275 T CA 1.683 63.798 62.100 0.024 0.000 1.170 275 T CB -0.156 68.725 68.868 0.022 0.000 0.860 275 T HN 0.396 nan 8.240 nan 0.000 0.422 276 K N 0.360 120.774 120.400 0.022 0.000 2.185 276 K HA 0.539 4.859 4.320 -0.000 0.000 0.240 276 K C -0.038 176.577 176.600 0.024 0.000 0.983 276 K CA -0.860 55.440 56.287 0.020 0.000 0.873 276 K CB 1.526 34.036 32.500 0.018 0.000 1.118 276 K HN 0.219 nan 8.250 nan 0.000 0.441 277 K N -0.150 120.262 120.400 0.021 0.000 2.760 277 K HA 0.491 4.811 4.320 -0.000 0.000 0.285 277 K C -0.886 175.728 176.600 0.024 0.000 1.016 277 K CA -0.570 55.730 56.287 0.023 0.000 1.087 277 K CB 1.122 33.630 32.500 0.014 0.000 1.427 277 K HN 0.508 nan 8.250 nan 0.000 0.524 278 T N -0.199 114.368 114.554 0.022 0.000 3.393 278 T HA 0.452 4.802 4.350 -0.000 0.000 0.359 278 T C -0.836 173.871 174.700 0.011 0.000 1.380 278 T CA -0.527 61.588 62.100 0.026 0.000 1.132 278 T CB 1.429 70.322 68.868 0.041 0.000 1.284 278 T HN 0.916 nan 8.240 nan 0.000 0.477 279 G N 1.944 110.742 108.800 -0.002 0.000 2.967 279 G HA2 0.074 4.034 3.960 -0.000 0.000 0.684 279 G HA3 0.074 4.034 3.960 -0.000 0.000 0.684 279 G C -0.731 174.114 174.900 -0.091 0.000 1.596 279 G CA 0.028 45.090 45.100 -0.064 0.000 1.102 279 G HN 0.985 nan 8.290 nan 0.000 0.596 280 K N -0.224 120.095 120.400 -0.135 0.000 2.443 280 K HA 0.722 5.042 4.320 -0.000 0.000 0.252 280 K C -0.559 175.950 176.600 -0.153 0.000 0.933 280 K CA -0.685 55.539 56.287 -0.106 0.000 0.792 280 K CB 2.155 34.625 32.500 -0.050 0.000 1.185 280 K HN 1.093 nan 8.250 nan 0.000 0.425 281 V N 4.513 124.347 119.914 -0.133 0.000 2.531 281 V HA 0.519 4.639 4.120 -0.000 0.000 0.301 281 V C -0.465 175.564 176.094 -0.107 0.000 1.034 281 V CA -0.973 61.239 62.300 -0.145 0.000 0.865 281 V CB 1.381 33.104 31.823 -0.168 0.000 0.995 281 V HN 0.681 nan 8.190 nan 0.000 0.424 282 I N 5.273 125.787 120.570 -0.094 0.000 2.353 282 I HA 0.475 4.645 4.170 -0.000 0.000 0.293 282 I C -0.068 175.982 176.117 -0.112 0.000 0.992 282 I CA -0.599 60.633 61.300 -0.113 0.000 1.268 282 I CB 1.519 39.457 38.000 -0.105 0.000 1.387 282 I HN 0.521 nan 8.210 nan 0.000 0.478 283 I N 7.216 127.705 120.570 -0.134 0.000 2.389 283 I HA 0.367 4.536 4.170 -0.000 0.000 0.288 283 I C -0.070 175.974 176.117 -0.122 0.000 0.999 283 I CA -0.613 60.620 61.300 -0.112 0.000 1.129 283 I CB 1.738 39.673 38.000 -0.108 0.000 1.288 283 I HN 0.289 nan 8.210 nan 0.000 0.444 284 I N 6.064 126.582 120.570 -0.087 0.000 2.301 284 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 284 I C 0.705 176.783 176.117 -0.065 0.000 1.046 284 I CA -0.031 61.216 61.300 -0.087 0.000 1.282 284 I CB 0.600 38.569 38.000 -0.051 0.000 1.409 284 I HN 0.837 nan 8.210 nan 0.000 0.484 285 G N 4.139 112.879 108.800 -0.102 0.000 3.039 285 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.686 285 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.686 285 G C 0.053 174.910 174.900 -0.071 0.000 1.066 285 G CA -0.228 44.821 45.100 -0.085 0.000 0.774 285 G HN 0.801 nan 8.290 nan 0.000 0.591 286 S N 1.426 117.080 115.700 -0.077 0.000 2.552 286 S HA 0.559 5.029 4.470 -0.000 0.000 0.246 286 S C 1.251 175.826 174.600 -0.042 0.000 1.019 286 S CA 0.620 58.781 58.200 -0.065 0.000 1.045 286 S CB 0.531 63.684 63.200 -0.078 0.000 0.784 286 S HN 2.063 nan 8.310 nan 0.000 0.453 287 G N 0.984 109.770 108.800 -0.023 0.000 2.353 287 G HA2 0.327 4.287 3.960 -0.000 0.000 0.239 287 G HA3 0.327 4.287 3.960 -0.000 0.000 0.239 287 G C 0.986 175.867 174.900 -0.031 0.000 1.295 287 G CA -0.256 44.836 45.100 -0.013 0.000 0.884 287 G HN 0.281 nan 8.290 nan 0.000 0.537 288 V N 2.620 122.504 119.914 -0.049 0.000 2.265 288 V HA -0.395 3.725 4.120 -0.000 0.000 0.260 288 V C 3.269 179.334 176.094 -0.049 0.000 1.084 288 V CA 3.307 65.572 62.300 -0.058 0.000 1.086 288 V CB -1.365 30.406 31.823 -0.087 0.000 0.704 288 V HN 1.066 nan 8.190 nan 0.000 0.457 289 S N 0.977 116.651 115.700 -0.045 0.000 2.401 289 S HA -0.286 4.183 4.470 -0.000 0.000 0.236 289 S C 2.062 176.636 174.600 -0.044 0.000 1.058 289 S CA 2.230 60.404 58.200 -0.042 0.000 1.151 289 S CB -1.706 61.478 63.200 -0.027 0.000 1.049 289 S HN 0.838 nan 8.310 nan 0.000 0.432 290 G N 2.525 111.303 108.800 -0.036 0.000 2.721 290 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 290 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 290 G C 1.476 176.338 174.900 -0.063 0.000 1.265 290 G CA 1.437 46.508 45.100 -0.049 0.000 0.796 290 G HN 0.536 nan 8.290 nan 0.000 0.620 291 L N 1.111 122.299 121.223 -0.060 0.000 2.034 291 L HA -0.205 4.135 4.340 -0.000 0.000 0.217 291 L C 3.383 180.214 176.870 -0.064 0.000 1.077 291 L CA 1.980 56.783 54.840 -0.062 0.000 0.769 291 L CB -0.527 41.503 42.059 -0.050 0.000 0.890 291 L HN 0.342 nan 8.230 nan 0.000 0.435 292 A N -0.734 122.052 122.820 -0.057 0.000 1.897 292 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 292 A C 2.529 180.061 177.584 -0.086 0.000 1.181 292 A CA 1.444 53.449 52.037 -0.053 0.000 0.620 292 A CB -0.860 18.113 19.000 -0.045 0.000 0.821 292 A HN 0.377 nan 8.150 nan 0.000 0.443 293 A N 0.148 122.914 122.820 -0.090 0.000 1.883 293 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 293 A C 2.533 180.035 177.584 -0.137 0.000 1.186 293 A CA 2.370 54.340 52.037 -0.111 0.000 0.624 293 A CB -1.171 17.775 19.000 -0.089 0.000 0.822 293 A HN 1.080 nan 8.150 nan 0.000 0.444 294 A N -0.396 122.354 122.820 -0.118 0.000 1.865 294 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 294 A C 2.251 179.748 177.584 -0.145 0.000 1.191 294 A CA 1.692 53.655 52.037 -0.123 0.000 0.623 294 A CB -0.614 18.323 19.000 -0.104 0.000 0.826 294 A HN 0.511 nan 8.150 nan 0.000 0.444 295 R N -1.230 119.188 120.500 -0.137 0.000 2.119 295 R HA -0.198 4.142 4.340 -0.000 0.000 0.246 295 R C 2.442 178.600 176.300 -0.236 0.000 1.146 295 R CA 1.759 57.764 56.100 -0.157 0.000 0.962 295 R CB -0.347 29.877 30.300 -0.125 0.000 0.863 295 R HN 0.532 nan 8.270 nan 0.000 0.442 296 Q N 0.607 120.227 119.800 -0.300 0.000 1.993 296 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 296 Q C 2.294 177.763 176.000 -0.886 0.000 0.984 296 Q CA 1.333 56.778 55.803 -0.596 0.000 0.837 296 Q CB -0.582 27.856 28.738 -0.500 0.000 0.902 296 Q HN 0.320 nan 8.270 nan 0.000 0.423 297 L N 0.376 121.303 121.223 -0.493 0.000 1.963 297 L HA -0.301 4.039 4.340 -0.000 0.000 0.220 297 L C 2.651 179.426 176.870 -0.158 0.000 1.076 297 L CA 2.040 56.733 54.840 -0.245 0.000 0.772 297 L CB -0.770 41.214 42.059 -0.124 0.000 0.892 297 L HN 0.405 nan 8.230 nan 0.000 0.435 298 Q N 0.026 119.739 119.800 -0.145 0.000 2.096 298 Q HA -0.293 4.046 4.340 -0.000 0.000 0.208 298 Q C 2.294 178.258 176.000 -0.060 0.000 0.993 298 Q CA 2.684 58.437 55.803 -0.084 0.000 0.862 298 Q CB -0.138 28.547 28.738 -0.089 0.000 0.915 298 Q HN 0.567 nan 8.270 nan 0.000 0.416 299 S N -0.760 114.862 115.700 -0.129 0.000 2.442 299 S HA -0.092 4.378 4.470 -0.000 0.000 0.236 299 S C 1.084 175.764 174.600 0.133 0.000 1.007 299 S CA 0.546 58.727 58.200 -0.033 0.000 0.965 299 S CB -0.249 62.929 63.200 -0.037 0.000 0.773 299 S HN 0.397 nan 8.310 nan 0.000 0.504 300 F N 2.509 122.463 119.950 0.005 0.000 2.676 300 F HA 0.443 4.969 4.527 -0.000 0.000 0.300 300 F C 1.752 177.554 175.800 0.002 0.000 1.160 300 F CA -1.350 56.648 58.000 -0.002 0.000 1.401 300 F CB -0.902 38.086 39.000 -0.021 0.000 1.037 300 F HN 0.330 nan 8.300 nan 0.000 0.522 301 G N 1.564 110.466 108.800 0.171 0.000 2.372 301 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.297 301 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.297 301 G C 0.097 175.042 174.900 0.075 0.000 1.005 301 G CA 0.148 45.305 45.100 0.095 0.000 1.173 301 G HN 0.315 nan 8.290 nan 0.000 0.511 302 M N -0.584 119.049 119.600 0.056 0.000 2.777 302 M HA 0.401 4.880 4.480 -0.000 0.000 0.307 302 M C -0.603 175.692 176.300 -0.007 0.000 1.228 302 M CA -0.927 54.388 55.300 0.024 0.000 0.871 302 M CB 1.641 34.255 32.600 0.023 0.000 1.721 302 M HN 0.126 nan 8.290 nan 0.000 0.487 303 D N 1.456 121.841 120.400 -0.024 0.000 2.359 303 D HA 0.450 5.090 4.640 -0.000 0.000 0.230 303 D C -1.608 174.664 176.300 -0.046 0.000 1.118 303 D CA -0.140 53.843 54.000 -0.028 0.000 0.844 303 D CB 0.890 41.679 40.800 -0.018 0.000 1.059 303 D HN 0.189 nan 8.370 nan 0.000 0.493 304 V N 3.689 123.574 119.914 -0.049 0.000 2.444 304 V HA 0.464 4.584 4.120 -0.000 0.000 0.294 304 V C 0.240 176.293 176.094 -0.068 0.000 1.022 304 V CA -0.614 61.645 62.300 -0.069 0.000 0.850 304 V CB 1.950 33.724 31.823 -0.081 0.000 0.992 304 V HN 0.526 nan 8.190 nan 0.000 0.426 305 T N 6.104 120.607 114.554 -0.085 0.000 2.848 305 T HA 0.716 5.066 4.350 -0.000 0.000 0.285 305 T C -0.609 173.994 174.700 -0.163 0.000 0.995 305 T CA -0.357 61.677 62.100 -0.110 0.000 0.970 305 T CB 1.360 70.176 68.868 -0.088 0.000 0.976 305 T HN 0.312 nan 8.240 nan 0.000 0.441 306 L N 3.540 124.666 121.223 -0.162 0.000 2.322 306 L HA 0.631 4.971 4.340 -0.000 0.000 0.279 306 L C -0.560 176.173 176.870 -0.229 0.000 1.036 306 L CA -0.585 54.148 54.840 -0.177 0.000 0.807 306 L CB 0.998 42.976 42.059 -0.136 0.000 1.226 306 L HN 0.401 nan 8.230 nan 0.000 0.433 307 L N 2.326 123.393 121.223 -0.259 0.000 2.333 307 L HA 0.651 4.991 4.340 -0.000 0.000 0.280 307 L C -0.577 176.142 176.870 -0.251 0.000 1.004 307 L CA -0.594 54.066 54.840 -0.300 0.000 0.820 307 L CB 1.881 43.712 42.059 -0.380 0.000 1.247 307 L HN 0.478 nan 8.230 nan 0.000 0.416 308 E N 1.581 121.626 120.200 -0.259 0.000 2.210 308 E HA 0.559 4.909 4.350 -0.000 0.000 0.266 308 E C 0.093 176.474 176.600 -0.365 0.000 0.883 308 E CA -0.335 55.907 56.400 -0.264 0.000 0.761 308 E CB 2.168 31.749 29.700 -0.198 0.000 1.156 308 E HN 0.575 nan 8.360 nan 0.000 0.412 309 A N 5.108 127.603 122.820 -0.542 0.000 1.968 309 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 309 A C 1.146 178.308 177.584 -0.703 0.000 1.169 309 A CA 0.833 52.342 52.037 -0.880 0.000 0.638 309 A CB -0.141 17.740 19.000 -1.865 0.000 0.812 309 A HN 0.579 nan 8.150 nan 0.000 0.446 310 R N 0.060 120.249 120.500 -0.519 0.000 2.668 310 R HA 0.228 4.568 4.340 -0.000 0.000 0.268 310 R C -0.246 175.972 176.300 -0.137 0.000 1.232 310 R CA 0.337 56.299 56.100 -0.231 0.000 1.166 310 R CB 0.087 30.331 30.300 -0.093 0.000 1.179 310 R HN 0.461 nan 8.270 nan 0.000 0.606 311 D N -0.079 120.290 120.400 -0.052 0.000 2.501 311 D HA 0.077 4.717 4.640 -0.000 0.000 0.226 311 D C -0.297 175.988 176.300 -0.026 0.000 1.198 311 D CA -0.224 53.752 54.000 -0.039 0.000 0.830 311 D CB 0.175 40.968 40.800 -0.012 0.000 1.014 311 D HN 0.416 nan 8.370 nan 0.000 0.496 312 R N -0.985 119.500 120.500 -0.026 0.000 2.710 312 R HA 0.566 4.906 4.340 -0.000 0.000 0.270 312 R C 0.059 176.345 176.300 -0.022 0.000 1.021 312 R CA -1.025 55.066 56.100 -0.014 0.000 0.889 312 R CB 0.971 31.280 30.300 0.014 0.000 1.243 312 R HN -0.155 nan 8.270 nan 0.000 0.464 313 V N -0.787 119.115 119.914 -0.021 0.000 3.851 313 V HA 0.517 4.636 4.120 -0.000 0.000 0.268 313 V C 1.490 177.584 176.094 -0.001 0.000 0.933 313 V CA 0.520 62.806 62.300 -0.024 0.000 0.934 313 V CB -0.132 31.674 31.823 -0.028 0.000 1.231 313 V HN 1.173 nan 8.190 nan 0.000 0.412 314 G N -1.588 107.207 108.800 -0.009 0.000 2.377 314 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.250 314 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.250 314 G C 1.752 176.661 174.900 0.016 0.000 1.039 314 G CA 1.185 46.282 45.100 -0.006 0.000 0.625 314 G HN 2.625 nan 8.290 nan 0.000 0.526 315 G N 0.280 109.112 108.800 0.053 0.000 2.660 315 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.321 315 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.321 315 G C 0.816 175.816 174.900 0.166 0.000 1.246 315 G CA 1.362 46.528 45.100 0.110 0.000 1.000 315 G HN 1.267 nan 8.290 nan 0.000 0.550 316 R N -0.183 120.374 120.500 0.094 0.000 2.362 316 R HA 0.219 4.559 4.340 -0.000 0.000 0.204 316 R C 0.321 176.604 176.300 -0.028 0.000 1.088 316 R CA 0.413 56.495 56.100 -0.030 0.000 1.121 316 R CB -0.228 29.953 30.300 -0.198 0.000 0.954 316 R HN 0.192 nan 8.270 nan 0.000 0.478 317 V N 1.334 121.261 119.914 0.022 0.000 2.233 317 V HA 0.297 4.417 4.120 -0.000 0.000 0.261 317 V C -0.011 176.140 176.094 0.096 0.000 1.076 317 V CA -0.628 61.660 62.300 -0.019 0.000 1.001 317 V CB 0.808 32.520 31.823 -0.185 0.000 1.206 317 V HN 0.173 nan 8.190 nan 0.000 0.468 318 A N 2.162 125.108 122.820 0.210 0.000 2.331 318 A HA 0.771 5.090 4.320 -0.000 0.000 0.283 318 A C 0.308 178.011 177.584 0.197 0.000 1.142 318 A CA -0.096 52.073 52.037 0.220 0.000 0.812 318 A CB 0.585 19.761 19.000 0.293 0.000 1.074 318 A HN 0.497 nan 8.150 nan 0.000 0.497 319 T N 2.452 117.102 114.554 0.159 0.000 2.881 319 T HA 0.423 4.773 4.350 -0.000 0.000 0.291 319 T C -0.872 173.914 174.700 0.143 0.000 0.990 319 T CA -0.120 62.068 62.100 0.146 0.000 0.976 319 T CB 0.500 69.433 68.868 0.109 0.000 0.970 319 T HN 0.483 nan 8.240 nan 0.000 0.438 320 F N 4.115 124.061 119.950 -0.006 0.000 2.427 320 F HA 0.652 5.179 4.527 -0.000 0.000 0.352 320 F C 0.270 176.051 175.800 -0.031 0.000 1.100 320 F CA -0.536 57.452 58.000 -0.021 0.000 1.191 320 F CB 0.476 39.455 39.000 -0.036 0.000 1.128 320 F HN 0.427 nan 8.300 nan 0.000 0.533 321 R N 4.949 124.962 120.500 -0.811 0.000 2.673 321 R HA 0.611 4.951 4.340 -0.000 0.000 0.281 321 R C -1.468 174.351 176.300 -0.800 0.000 0.991 321 R CA -1.182 54.534 56.100 -0.640 0.000 0.896 321 R CB 2.285 32.411 30.300 -0.291 0.000 1.201 321 R HN 0.657 nan 8.270 nan 0.000 0.457 322 K N 0.882 120.966 120.400 -0.527 0.000 2.688 322 K HA 0.232 4.552 4.320 -0.000 0.000 0.270 322 K C -0.018 176.441 176.600 -0.234 0.000 1.013 322 K CA 0.297 56.385 56.287 -0.332 0.000 0.924 322 K CB 1.592 33.920 32.500 -0.286 0.000 1.378 322 K HN 0.693 nan 8.250 nan 0.000 0.402 323 G N 3.224 111.901 108.800 -0.204 0.000 2.702 323 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.342 323 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.342 323 G C 0.244 175.018 174.900 -0.210 0.000 1.258 323 G CA 0.984 45.944 45.100 -0.234 0.000 0.990 323 G HN 0.735 nan 8.290 nan 0.000 0.548 324 N N 0.003 118.545 118.700 -0.263 0.000 2.177 324 N HA 0.162 4.902 4.740 -0.000 0.000 0.218 324 N C -0.299 175.198 175.510 -0.023 0.000 1.182 324 N CA -0.046 52.928 53.050 -0.127 0.000 0.882 324 N CB 0.597 39.036 38.487 -0.081 0.000 1.052 324 N HN 0.418 nan 8.380 nan 0.000 0.519 325 Y N 1.245 121.518 120.300 -0.045 0.000 2.511 325 Y HA 0.226 4.775 4.550 -0.000 0.000 0.332 325 Y C 0.717 176.528 175.900 -0.148 0.000 1.177 325 Y CA -0.674 57.403 58.100 -0.039 0.000 1.422 325 Y CB 0.576 39.081 38.460 0.074 0.000 1.271 325 Y HN -0.291 nan 8.280 nan 0.000 0.550 326 V N 2.199 122.094 119.914 -0.032 0.000 2.697 326 V HA 0.739 4.859 4.120 -0.000 0.000 0.296 326 V C -0.955 174.808 176.094 -0.551 0.000 1.140 326 V CA -0.977 61.194 62.300 -0.216 0.000 0.921 326 V CB 1.623 33.331 31.823 -0.191 0.000 1.036 326 V HN 0.873 nan 8.190 nan 0.000 0.438 327 A N 3.493 126.148 122.820 -0.275 0.000 2.480 327 A HA 0.650 4.969 4.320 -0.000 0.000 0.289 327 A C -1.022 176.598 177.584 0.060 0.000 1.044 327 A CA -0.701 51.153 52.037 -0.305 0.000 0.761 327 A CB 1.050 19.982 19.000 -0.113 0.000 1.289 327 A HN 0.690 nan 8.150 nan 0.000 0.401 328 D N 2.896 123.399 120.400 0.172 0.000 2.383 328 D HA 0.228 4.868 4.640 -0.000 0.000 0.252 328 D C 0.629 177.033 176.300 0.173 0.000 1.166 328 D CA 0.126 54.244 54.000 0.198 0.000 0.879 328 D CB 1.375 42.318 40.800 0.239 0.000 1.164 328 D HN 0.450 nan 8.370 nan 0.000 0.462 329 L N 1.857 123.198 121.223 0.197 0.000 2.592 329 L HA 0.178 4.518 4.340 -0.000 0.000 0.227 329 L C 1.625 178.744 176.870 0.414 0.000 1.127 329 L CA 0.052 55.032 54.840 0.235 0.000 0.884 329 L CB 0.095 42.255 42.059 0.168 0.000 1.065 329 L HN 0.374 nan 8.230 nan 0.000 0.457 330 G N -0.545 108.447 108.800 0.319 0.000 3.075 330 G HA2 0.625 4.585 3.960 -0.000 0.000 0.156 330 G HA3 0.625 4.585 3.960 -0.000 0.000 0.156 330 G C -0.065 174.897 174.900 0.103 0.000 1.403 330 G CA 0.068 45.307 45.100 0.231 0.000 1.033 330 G HN 0.197 nan 8.290 nan 0.000 0.589 331 A N -1.203 121.653 122.820 0.059 0.000 2.366 331 A HA 0.589 4.908 4.320 -0.000 0.000 0.250 331 A C 0.717 178.496 177.584 0.325 0.000 1.099 331 A CA 0.850 52.964 52.037 0.128 0.000 0.794 331 A CB 0.864 19.892 19.000 0.046 0.000 1.056 331 A HN 0.787 nan 8.150 nan 0.000 0.499 332 M N -0.467 119.295 119.600 0.271 0.000 1.681 332 M HA 0.169 4.649 4.480 -0.000 0.000 0.257 332 M C -1.149 175.128 176.300 -0.039 0.000 0.989 332 M CA 0.418 55.766 55.300 0.081 0.000 0.992 332 M CB 0.617 33.161 32.600 -0.093 0.000 1.904 332 M HN 0.400 nan 8.290 nan 0.000 0.692 333 V N 2.306 122.231 119.914 0.017 0.000 2.483 333 V HA 0.453 4.572 4.120 -0.000 0.000 0.295 333 V C -0.237 175.863 176.094 0.011 0.000 1.035 333 V CA -0.813 61.498 62.300 0.018 0.000 0.896 333 V CB 1.553 33.439 31.823 0.104 0.000 0.986 333 V HN 0.038 nan 8.190 nan 0.000 0.447 334 V N 3.785 123.676 119.914 -0.037 0.000 2.439 334 V HA 0.273 4.393 4.120 -0.000 0.000 0.282 334 V C 1.072 177.145 176.094 -0.035 0.000 1.039 334 V CA -0.035 62.271 62.300 0.010 0.000 0.913 334 V CB 1.832 33.637 31.823 -0.030 0.000 0.983 334 V HN 1.053 nan 8.190 nan 0.000 0.460 335 T N 0.594 115.131 114.554 -0.028 0.000 3.332 335 T HA 0.498 4.848 4.350 -0.000 0.000 0.246 335 T C 0.584 175.304 174.700 0.033 0.000 0.943 335 T CA 0.193 62.099 62.100 -0.323 0.000 0.922 335 T CB -0.607 68.103 68.868 -0.263 0.000 1.086 335 T HN 1.714 nan 8.240 nan 0.000 0.590 336 G N 1.064 109.916 108.800 0.088 0.000 3.019 336 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 336 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 336 G C 0.045 174.979 174.900 0.057 0.000 1.056 336 G CA -0.565 44.627 45.100 0.152 0.000 0.774 336 G HN 0.479 nan 8.290 nan 0.000 0.583 337 L N 1.364 122.592 121.223 0.009 0.000 2.650 337 L HA 0.233 4.573 4.340 -0.000 0.000 0.235 337 L C 2.117 178.909 176.870 -0.131 0.000 1.149 337 L CA 0.554 55.333 54.840 -0.101 0.000 0.887 337 L CB -0.174 41.857 42.059 -0.047 0.000 1.021 337 L HN 0.780 nan 8.230 nan 0.000 0.441 338 G N 0.422 109.215 108.800 -0.013 0.000 2.852 338 G HA2 0.332 4.292 3.960 -0.000 0.000 0.280 338 G HA3 0.332 4.292 3.960 -0.000 0.000 0.280 338 G C 1.137 175.936 174.900 -0.169 0.000 0.731 338 G CA 0.405 45.570 45.100 0.108 0.000 2.037 338 G HN 0.468 nan 8.290 nan 0.000 0.560 339 G N 1.046 109.629 108.800 -0.363 0.000 2.137 339 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.237 339 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.237 339 G C 0.370 174.769 174.900 -0.834 0.000 1.002 339 G CA 0.027 44.818 45.100 -0.516 0.000 0.702 339 G HN 0.857 nan 8.290 nan 0.000 0.515 340 N N 0.849 118.849 118.700 -1.166 0.000 2.472 340 N HA 0.353 5.093 4.740 -0.000 0.000 0.277 340 N C -0.345 174.838 175.510 -0.545 0.000 1.081 340 N CA -1.747 50.399 53.050 -1.507 0.000 0.973 340 N CB 1.784 39.498 38.487 -1.288 0.000 1.105 340 N HN 0.077 nan 8.380 nan 0.000 0.470 341 P HA -0.125 nan 4.420 nan 0.000 0.220 341 P C 1.420 178.755 177.300 0.058 0.000 1.148 341 P CA 1.011 64.072 63.100 -0.064 0.000 0.803 341 P CB 0.257 31.876 31.700 -0.134 0.000 0.782 342 M N -0.305 119.298 119.600 0.006 0.000 2.279 342 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 342 M C 2.259 178.580 176.300 0.035 0.000 1.062 342 M CA 1.265 56.611 55.300 0.077 0.000 1.099 342 M CB -1.902 30.764 32.600 0.110 0.000 1.394 342 M HN -0.070 nan 8.290 nan 0.000 0.426 343 A N 0.367 123.161 122.820 -0.044 0.000 1.915 343 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 343 A C 2.492 180.065 177.584 -0.018 0.000 1.198 343 A CA 2.490 54.497 52.037 -0.050 0.000 0.647 343 A CB -1.105 17.835 19.000 -0.100 0.000 0.825 343 A HN 0.315 nan 8.150 nan 0.000 0.456 344 V N -0.586 119.346 119.914 0.029 0.000 2.244 344 V HA -0.223 3.897 4.120 -0.000 0.000 0.244 344 V C 2.547 178.655 176.094 0.022 0.000 1.042 344 V CA 1.832 64.126 62.300 -0.010 0.000 1.006 344 V CB -0.895 30.954 31.823 0.044 0.000 0.641 344 V HN 0.380 nan 8.190 nan 0.000 0.446 345 V N 1.415 121.406 119.914 0.130 0.000 2.428 345 V HA -0.307 3.813 4.120 -0.000 0.000 0.255 345 V C 2.521 178.657 176.094 0.070 0.000 1.080 345 V CA 2.532 64.909 62.300 0.128 0.000 1.083 345 V CB -1.083 30.844 31.823 0.174 0.000 0.665 345 V HN 0.770 nan 8.190 nan 0.000 0.461 346 S N -0.968 114.759 115.700 0.044 0.000 2.470 346 S HA -0.015 4.455 4.470 -0.000 0.000 0.225 346 S C 1.732 176.332 174.600 -0.001 0.000 1.006 346 S CA 0.411 58.626 58.200 0.025 0.000 0.934 346 S CB -0.164 63.043 63.200 0.012 0.000 0.778 346 S HN 0.648 nan 8.310 nan 0.000 0.517 347 K N 1.030 121.415 120.400 -0.025 0.000 2.243 347 K HA 0.130 4.450 4.320 -0.000 0.000 0.201 347 K C 2.178 178.753 176.600 -0.043 0.000 1.051 347 K CA 0.696 56.953 56.287 -0.049 0.000 0.970 347 K CB -0.068 32.375 32.500 -0.096 0.000 0.755 347 K HN 0.435 nan 8.250 nan 0.000 0.465 348 Q N 0.216 120.000 119.800 -0.027 0.000 2.269 348 Q HA 0.045 4.385 4.340 -0.000 0.000 0.201 348 Q C -0.022 175.982 176.000 0.008 0.000 0.946 348 Q CA 0.446 56.243 55.803 -0.011 0.000 0.877 348 Q CB 0.748 29.495 28.738 0.015 0.000 0.963 348 Q HN -0.024 nan 8.270 nan 0.000 0.472 349 V N 1.606 121.532 119.914 0.019 0.000 2.604 349 V HA 0.131 4.250 4.120 -0.000 0.000 0.305 349 V C -0.519 175.588 176.094 0.023 0.000 1.043 349 V CA -1.096 61.220 62.300 0.026 0.000 0.888 349 V CB 1.723 33.574 31.823 0.047 0.000 0.995 349 V HN 0.164 nan 8.190 nan 0.000 0.429 350 N N 4.726 123.438 118.700 0.020 0.000 2.454 350 N HA 0.187 4.927 4.740 -0.000 0.000 0.285 350 N C -0.464 175.064 175.510 0.029 0.000 1.233 350 N CA 0.286 53.347 53.050 0.019 0.000 1.036 350 N CB -0.174 38.322 38.487 0.015 0.000 1.423 350 N HN 0.623 nan 8.380 nan 0.000 0.495 351 M N 1.293 120.910 119.600 0.028 0.000 2.363 351 M HA 0.308 4.788 4.480 -0.000 0.000 0.343 351 M C -0.136 176.176 176.300 0.020 0.000 1.165 351 M CA -0.597 54.719 55.300 0.028 0.000 1.046 351 M CB 1.805 34.416 32.600 0.018 0.000 1.648 351 M HN 0.270 nan 8.290 nan 0.000 0.452 352 E N 3.463 123.679 120.200 0.027 0.000 2.115 352 E HA 0.424 4.773 4.350 -0.000 0.000 0.282 352 E C -1.206 175.406 176.600 0.020 0.000 0.987 352 E CA -0.269 56.148 56.400 0.028 0.000 0.797 352 E CB 1.056 30.782 29.700 0.044 0.000 1.086 352 E HN 0.538 nan 8.360 nan 0.000 0.397 353 L N 2.901 124.131 121.223 0.012 0.000 2.262 353 L HA 0.516 4.856 4.340 -0.000 0.000 0.288 353 L C -0.108 176.775 176.870 0.021 0.000 1.035 353 L CA -0.799 54.043 54.840 0.003 0.000 0.820 353 L CB 1.107 43.164 42.059 -0.003 0.000 1.204 353 L HN 0.560 nan 8.230 nan 0.000 0.424 354 A N 4.850 127.686 122.820 0.026 0.000 2.305 354 A HA 0.550 4.869 4.320 -0.000 0.000 0.322 354 A C -0.118 177.496 177.584 0.050 0.000 1.187 354 A CA -0.728 51.332 52.037 0.038 0.000 0.825 354 A CB 0.739 19.762 19.000 0.040 0.000 1.164 354 A HN 0.686 nan 8.150 nan 0.000 0.498 355 K N 1.322 121.757 120.400 0.060 0.000 2.219 355 K HA 0.331 4.651 4.320 -0.000 0.000 0.258 355 K C -0.869 175.786 176.600 0.090 0.000 1.008 355 K CA 0.066 56.401 56.287 0.080 0.000 0.928 355 K CB 0.825 33.368 32.500 0.073 0.000 0.983 355 K HN 0.586 nan 8.250 nan 0.000 0.484 356 I N 2.557 123.197 120.570 0.118 0.000 2.306 356 I HA 0.054 4.224 4.170 -0.000 0.000 0.288 356 I C 0.029 176.192 176.117 0.077 0.000 1.036 356 I CA -0.343 61.028 61.300 0.118 0.000 1.221 356 I CB 0.678 38.792 38.000 0.191 0.000 1.385 356 I HN 0.278 nan 8.210 nan 0.000 0.472 357 K N 6.597 127.030 120.400 0.055 0.000 2.382 357 K HA 0.022 4.341 4.320 -0.000 0.000 0.286 357 K C 0.880 177.493 176.600 0.022 0.000 1.062 357 K CA -0.247 56.065 56.287 0.041 0.000 1.000 357 K CB 0.626 33.152 32.500 0.043 0.000 0.954 357 K HN 0.530 nan 8.250 nan 0.000 0.470 358 Q N 1.637 121.452 119.800 0.024 0.000 2.368 358 Q HA -0.116 4.224 4.340 -0.000 0.000 0.210 358 Q C 0.060 176.063 176.000 0.006 0.000 0.982 358 Q CA 1.012 56.824 55.803 0.015 0.000 0.884 358 Q CB 0.085 28.838 28.738 0.025 0.000 0.933 358 Q HN 0.362 nan 8.270 nan 0.000 0.460 359 K N 1.035 121.441 120.400 0.011 0.000 2.367 359 K HA -0.054 4.265 4.320 -0.000 0.000 0.275 359 K C -0.497 176.103 176.600 -0.000 0.000 1.125 359 K CA 0.212 56.505 56.287 0.010 0.000 1.133 359 K CB -0.099 32.414 32.500 0.022 0.000 0.875 359 K HN 0.104 nan 8.250 nan 0.000 0.467 360 C N 7.951 127.244 119.300 -0.012 0.000 2.534 360 C HA 0.366 4.826 4.460 -0.000 0.000 0.309 360 C C -2.378 172.580 174.990 -0.053 0.000 1.072 360 C CA -1.942 57.061 59.018 -0.024 0.000 1.441 360 C CB 0.381 28.096 27.740 -0.042 0.000 1.906 360 C HN 0.612 nan 8.230 nan 0.000 0.429 361 P HA 0.318 nan 4.420 nan 0.000 0.275 361 P C -0.856 176.424 177.300 -0.033 0.000 1.227 361 P CA 0.189 63.272 63.100 -0.029 0.000 0.781 361 P CB 0.884 32.649 31.700 0.108 0.000 0.906 362 L N 2.782 123.828 121.223 -0.294 0.000 2.334 362 L HA 0.512 4.852 4.340 -0.000 0.000 0.270 362 L C -0.527 176.123 176.870 -0.368 0.000 1.018 362 L CA -0.909 53.739 54.840 -0.320 0.000 0.811 362 L CB 1.017 42.710 42.059 -0.610 0.000 1.271 362 L HN 0.336 nan 8.230 nan 0.000 0.443 363 Y N -0.270 119.873 120.300 -0.262 0.000 2.298 363 Y HA 0.251 4.801 4.550 -0.000 0.000 0.322 363 Y C -0.088 175.681 175.900 -0.218 0.000 1.138 363 Y CA -0.834 57.140 58.100 -0.211 0.000 1.127 363 Y CB 1.428 39.778 38.460 -0.183 0.000 1.178 363 Y HN 0.536 nan 8.280 nan 0.000 0.428 364 E N 1.086 121.228 120.200 -0.097 0.000 2.435 364 E HA 0.295 4.645 4.350 -0.000 0.000 0.254 364 E C 1.056 177.592 176.600 -0.107 0.000 1.289 364 E CA 0.517 56.843 56.400 -0.123 0.000 0.983 364 E CB 0.655 30.298 29.700 -0.094 0.000 1.010 364 E HN 0.775 nan 8.360 nan 0.000 0.509 365 A N 1.754 124.513 122.820 -0.102 0.000 1.927 365 A HA -0.338 3.982 4.320 -0.000 0.000 0.220 365 A C 1.827 179.431 177.584 0.033 0.000 1.185 365 A CA 2.550 54.579 52.037 -0.013 0.000 0.639 365 A CB -1.199 17.817 19.000 0.028 0.000 0.820 365 A HN 0.782 nan 8.150 nan 0.000 0.451 366 N N -1.081 117.622 118.700 0.005 0.000 2.104 366 N HA 0.139 4.879 4.740 -0.000 0.000 0.190 366 N C 1.144 176.662 175.510 0.015 0.000 1.024 366 N CA 2.531 55.586 53.050 0.007 0.000 0.853 366 N CB -0.645 37.834 38.487 -0.013 0.000 1.008 366 N HN 1.138 nan 8.380 nan 0.000 0.424 367 G N -2.039 106.772 108.800 0.017 0.000 2.145 367 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.145 367 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.145 367 G C -0.832 174.087 174.900 0.032 0.000 1.017 367 G CA -0.084 45.038 45.100 0.036 0.000 0.682 367 G HN 0.483 nan 8.290 nan 0.000 0.504 368 Q N -0.115 119.672 119.800 -0.021 0.000 2.353 368 Q HA 0.702 5.042 4.340 -0.000 0.000 0.268 368 Q C 0.507 176.356 176.000 -0.252 0.000 1.045 368 Q CA -0.285 55.456 55.803 -0.104 0.000 0.811 368 Q CB 2.308 30.985 28.738 -0.101 0.000 1.305 368 Q HN 0.862 nan 8.270 nan 0.000 0.447 369 A N 1.740 124.292 122.820 -0.448 0.000 2.614 369 A HA 0.080 4.400 4.320 -0.000 0.000 0.231 369 A C 0.037 177.376 177.584 -0.408 0.000 1.076 369 A CA 0.042 51.675 52.037 -0.675 0.000 0.767 369 A CB 0.210 18.859 19.000 -0.585 0.000 1.012 369 A HN 0.474 nan 8.150 nan 0.000 0.512 370 V N 4.674 124.343 119.914 -0.407 0.000 2.370 370 V HA 0.290 4.410 4.120 -0.000 0.000 0.279 370 V C -1.883 174.076 176.094 -0.226 0.000 1.029 370 V CA -1.276 60.863 62.300 -0.268 0.000 0.870 370 V CB 0.925 32.596 31.823 -0.253 0.000 0.984 370 V HN 0.874 nan 8.190 nan 0.000 0.451 371 P HA -0.082 nan 4.420 nan 0.000 0.264 371 P C 0.822 178.048 177.300 -0.122 0.000 1.156 371 P CA 0.338 63.357 63.100 -0.134 0.000 0.756 371 P CB 0.466 32.103 31.700 -0.105 0.000 0.764 372 K N 2.299 122.635 120.400 -0.107 0.000 2.218 372 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 372 K C 1.673 178.230 176.600 -0.071 0.000 1.046 372 K CA 1.070 57.306 56.287 -0.086 0.000 0.933 372 K CB -0.048 32.411 32.500 -0.069 0.000 0.728 372 K HN 0.492 nan 8.250 nan 0.000 0.454 373 E N 1.581 121.739 120.200 -0.071 0.000 2.023 373 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 373 E C 1.992 178.553 176.600 -0.064 0.000 1.003 373 E CA 1.323 57.686 56.400 -0.061 0.000 0.809 373 E CB 0.158 29.821 29.700 -0.060 0.000 0.755 373 E HN 0.148 nan 8.360 nan 0.000 0.449 374 K N 0.616 120.971 120.400 -0.075 0.000 1.967 374 K HA -0.134 4.186 4.320 -0.000 0.000 0.212 374 K C 1.921 178.477 176.600 -0.072 0.000 1.044 374 K CA 0.898 57.140 56.287 -0.075 0.000 0.942 374 K CB -0.829 31.619 32.500 -0.086 0.000 0.726 374 K HN 0.122 nan 8.250 nan 0.000 0.440 375 D N 1.216 121.564 120.400 -0.086 0.000 2.569 375 D HA -0.250 4.390 4.640 -0.000 0.000 0.191 375 D C 1.651 177.928 176.300 -0.038 0.000 1.042 375 D CA 1.923 55.879 54.000 -0.073 0.000 0.873 375 D CB 0.041 40.781 40.800 -0.099 0.000 0.946 375 D HN 0.360 nan 8.370 nan 0.000 0.467 376 E N -0.522 119.653 120.200 -0.042 0.000 2.072 376 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 376 E C 2.269 178.845 176.600 -0.041 0.000 0.982 376 E CA 0.578 56.961 56.400 -0.029 0.000 0.803 376 E CB -0.185 29.499 29.700 -0.028 0.000 0.755 376 E HN 0.358 nan 8.360 nan 0.000 0.453 377 M N 0.960 120.528 119.600 -0.053 0.000 2.149 377 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 377 M C 1.955 178.209 176.300 -0.076 0.000 1.064 377 M CA 1.352 56.614 55.300 -0.063 0.000 1.102 377 M CB 0.149 32.707 32.600 -0.071 0.000 1.369 377 M HN -0.035 nan 8.290 nan 0.000 0.408 378 V N -0.270 119.595 119.914 -0.082 0.000 2.300 378 V HA -0.196 3.924 4.120 -0.000 0.000 0.241 378 V C 2.134 178.110 176.094 -0.196 0.000 1.034 378 V CA 2.069 64.303 62.300 -0.110 0.000 1.021 378 V CB -1.190 30.587 31.823 -0.077 0.000 0.662 378 V HN 0.563 nan 8.190 nan 0.000 0.458 379 E N 0.384 120.421 120.200 -0.272 0.000 2.068 379 E HA -0.363 3.987 4.350 -0.000 0.000 0.207 379 E C 2.359 178.923 176.600 -0.059 0.000 1.032 379 E CA 2.246 58.435 56.400 -0.351 0.000 0.839 379 E CB -0.344 29.328 29.700 -0.047 0.000 0.758 379 E HN 0.583 nan 8.360 nan 0.000 0.457 380 Q N 0.003 119.785 119.800 -0.029 0.000 2.181 380 Q HA -0.263 4.076 4.340 -0.000 0.000 0.205 380 Q C 1.970 177.964 176.000 -0.011 0.000 0.980 380 Q CA 1.913 57.713 55.803 -0.004 0.000 0.862 380 Q CB -0.063 28.667 28.738 -0.014 0.000 0.905 380 Q HN 0.230 nan 8.270 nan 0.000 0.429 381 E N -0.120 120.066 120.200 -0.025 0.000 2.106 381 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 381 E C 1.583 178.208 176.600 0.043 0.000 0.984 381 E CA 0.930 57.328 56.400 -0.003 0.000 0.806 381 E CB -0.568 29.112 29.700 -0.035 0.000 0.750 381 E HN 0.395 nan 8.360 nan 0.000 0.458 382 F N 1.788 121.653 119.950 -0.142 0.000 2.025 382 F HA -0.271 4.256 4.527 -0.000 0.000 0.297 382 F C 1.747 177.545 175.800 -0.004 0.000 1.132 382 F CA 2.153 60.072 58.000 -0.136 0.000 1.191 382 F CB -0.787 38.004 39.000 -0.349 0.000 0.963 382 F HN 0.053 nan 8.300 nan 0.000 0.481 383 N N 0.645 119.152 118.700 -0.322 0.000 2.258 383 N HA -0.195 4.545 4.740 -0.000 0.000 0.187 383 N C 1.981 177.384 175.510 -0.180 0.000 1.012 383 N CA 1.513 54.365 53.050 -0.329 0.000 0.870 383 N CB -0.451 37.989 38.487 -0.077 0.000 0.977 383 N HN 0.465 nan 8.380 nan 0.000 0.434 384 R N 0.470 120.914 120.500 -0.093 0.000 2.073 384 R HA 0.109 4.449 4.340 -0.000 0.000 0.229 384 R C 2.393 178.680 176.300 -0.022 0.000 1.120 384 R CA 0.516 56.594 56.100 -0.037 0.000 0.967 384 R CB -0.263 30.032 30.300 -0.008 0.000 0.862 384 R HN 0.140 nan 8.270 nan 0.000 0.436 385 L N 0.665 121.884 121.223 -0.007 0.000 2.042 385 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 385 L C 2.338 179.211 176.870 0.006 0.000 1.076 385 L CA 1.256 56.123 54.840 0.044 0.000 0.749 385 L CB -0.421 41.728 42.059 0.149 0.000 0.893 385 L HN 0.224 nan 8.230 nan 0.000 0.432 386 L N -0.410 120.751 121.223 -0.104 0.000 1.933 386 L HA -0.306 4.034 4.340 -0.000 0.000 0.220 386 L C 2.589 179.486 176.870 0.044 0.000 1.078 386 L CA 1.655 56.461 54.840 -0.057 0.000 0.773 386 L CB -0.513 41.444 42.059 -0.170 0.000 0.890 386 L HN 0.264 nan 8.230 nan 0.000 0.434 387 E N -0.452 119.766 120.200 0.031 0.000 2.164 387 E HA -0.365 3.985 4.350 -0.000 0.000 0.206 387 E C 2.070 178.730 176.600 0.099 0.000 1.032 387 E CA 1.456 57.900 56.400 0.073 0.000 0.832 387 E CB -0.272 29.453 29.700 0.041 0.000 0.742 387 E HN 0.588 nan 8.360 nan 0.000 0.460 388 A N 0.954 123.812 122.820 0.063 0.000 1.884 388 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 388 A C 2.482 180.146 177.584 0.133 0.000 1.197 388 A CA 2.864 54.945 52.037 0.073 0.000 0.637 388 A CB -1.463 17.558 19.000 0.035 0.000 0.827 388 A HN 0.500 nan 8.150 nan 0.000 0.450 389 T N -3.122 111.497 114.554 0.110 0.000 2.720 389 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 389 T C 2.063 176.830 174.700 0.112 0.000 1.037 389 T CA 2.049 64.218 62.100 0.115 0.000 1.144 389 T CB -0.764 68.162 68.868 0.096 0.000 0.864 389 T HN 0.376 nan 8.240 nan 0.000 0.444 390 S N 0.181 115.962 115.700 0.135 0.000 2.356 390 S HA -0.147 4.322 4.470 -0.000 0.000 0.223 390 S C 1.755 176.420 174.600 0.108 0.000 1.032 390 S CA 1.269 59.533 58.200 0.107 0.000 1.005 390 S CB -0.845 62.469 63.200 0.190 0.000 0.867 390 S HN 0.668 nan 8.310 nan 0.000 0.449 391 Y N 1.511 121.846 120.300 0.058 0.000 2.081 391 Y HA -0.191 4.359 4.550 -0.000 0.000 0.280 391 Y C 1.991 177.908 175.900 0.029 0.000 1.163 391 Y CA 1.993 60.124 58.100 0.052 0.000 1.135 391 Y CB -0.635 37.844 38.460 0.032 0.000 0.970 391 Y HN 0.257 nan 8.280 nan 0.000 0.498 392 L N -0.516 120.797 121.223 0.150 0.000 2.081 392 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 392 L C 2.918 179.786 176.870 -0.004 0.000 1.080 392 L CA 2.133 57.016 54.840 0.073 0.000 0.754 392 L CB -0.929 41.223 42.059 0.154 0.000 0.893 392 L HN 0.340 nan 8.230 nan 0.000 0.433 393 S N -1.506 114.142 115.700 -0.087 0.000 2.345 393 S HA -0.181 4.289 4.470 -0.000 0.000 0.219 393 S C 1.950 176.392 174.600 -0.263 0.000 1.031 393 S CA 1.394 59.462 58.200 -0.220 0.000 0.984 393 S CB -0.215 62.718 63.200 -0.444 0.000 0.874 393 S HN 0.612 nan 8.310 nan 0.000 0.451 394 H N 0.007 119.036 119.070 -0.068 0.000 2.399 394 H HA 0.201 4.757 4.556 -0.000 0.000 0.300 394 H C 2.546 177.781 175.328 -0.155 0.000 1.048 394 H CA 1.120 57.110 56.048 -0.096 0.000 1.370 394 H CB 0.108 29.824 29.762 -0.077 0.000 1.428 394 H HN 0.342 nan 8.280 nan 0.000 0.534 395 Q N 0.463 120.141 119.800 -0.204 0.000 2.165 395 Q HA 0.058 4.398 4.340 -0.000 0.000 0.197 395 Q C 2.046 177.867 176.000 -0.299 0.000 0.952 395 Q CA 0.737 56.328 55.803 -0.352 0.000 0.848 395 Q CB 0.280 28.533 28.738 -0.808 0.000 0.931 395 Q HN 0.467 nan 8.270 nan 0.000 0.470 396 L N 0.833 121.872 121.223 -0.307 0.000 2.529 396 L HA 0.090 4.430 4.340 -0.000 0.000 0.223 396 L C 0.170 177.029 176.870 -0.018 0.000 1.113 396 L CA -0.098 54.663 54.840 -0.132 0.000 0.861 396 L CB 0.032 42.037 42.059 -0.090 0.000 1.012 396 L HN 0.172 nan 8.230 nan 0.000 0.461 397 D N 0.976 121.368 120.400 -0.014 0.000 2.927 397 D HA -0.273 4.367 4.640 -0.000 0.000 0.236 397 D C -0.515 175.857 176.300 0.120 0.000 1.163 397 D CA 0.384 54.403 54.000 0.031 0.000 0.801 397 D CB -0.725 40.088 40.800 0.022 0.000 0.975 397 D HN 0.124 nan 8.370 nan 0.000 0.413 398 F N 2.575 122.488 119.950 -0.061 0.000 2.441 398 F HA 0.362 4.889 4.527 -0.000 0.000 0.337 398 F C 0.782 176.560 175.800 -0.035 0.000 1.182 398 F CA -0.767 57.210 58.000 -0.039 0.000 1.279 398 F CB -0.079 38.901 39.000 -0.033 0.000 1.614 398 F HN 0.023 nan 8.300 nan 0.000 0.574 399 N N 1.089 119.682 118.700 -0.179 0.000 2.382 399 N HA 0.126 4.866 4.740 -0.000 0.000 0.200 399 N C -0.147 175.237 175.510 -0.209 0.000 1.122 399 N CA 0.418 53.347 53.050 -0.202 0.000 0.870 399 N CB 1.082 39.515 38.487 -0.090 0.000 1.176 399 N HN 0.166 nan 8.380 nan 0.000 0.474 400 V N 1.722 121.533 119.914 -0.171 0.000 2.834 400 V HA 0.520 4.640 4.120 -0.000 0.000 0.313 400 V C -0.621 175.356 176.094 -0.194 0.000 1.060 400 V CA -0.752 61.463 62.300 -0.142 0.000 0.989 400 V CB 2.327 34.113 31.823 -0.061 0.000 1.041 400 V HN 0.004 nan 8.190 nan 0.000 0.459 401 L N 4.091 125.224 121.223 -0.149 0.000 2.611 401 L HA 0.450 4.790 4.340 -0.000 0.000 0.263 401 L C -0.167 176.681 176.870 -0.037 0.000 0.969 401 L CA -0.415 54.367 54.840 -0.097 0.000 0.894 401 L CB 0.964 42.925 42.059 -0.163 0.000 1.229 401 L HN 0.859 nan 8.230 nan 0.000 0.416 402 N N 2.898 121.594 118.700 -0.005 0.000 2.689 402 N HA -0.302 4.438 4.740 -0.000 0.000 0.263 402 N C 0.396 175.899 175.510 -0.011 0.000 0.987 402 N CA 1.171 54.221 53.050 -0.000 0.000 0.782 402 N CB -1.483 37.010 38.487 0.009 0.000 0.903 402 N HN 0.835 nan 8.380 nan 0.000 0.547 403 N N -3.195 115.494 118.700 -0.017 0.000 2.849 403 N HA -0.188 4.552 4.740 -0.000 0.000 0.200 403 N C -0.980 174.516 175.510 -0.023 0.000 1.129 403 N CA 1.904 54.944 53.050 -0.016 0.000 1.320 403 N CB -0.726 37.756 38.487 -0.008 0.000 0.945 403 N HN 0.719 nan 8.380 nan 0.000 0.554 404 K N 2.007 122.388 120.400 -0.031 0.000 2.185 404 K HA 0.370 4.690 4.320 -0.000 0.000 0.271 404 K C -2.478 174.088 176.600 -0.057 0.000 1.013 404 K CA -1.373 54.894 56.287 -0.034 0.000 0.943 404 K CB 0.135 32.616 32.500 -0.032 0.000 0.998 404 K HN 0.162 nan 8.250 nan 0.000 0.468 405 P HA 0.024 nan 4.420 nan 0.000 0.269 405 P C -0.218 177.029 177.300 -0.088 0.000 1.209 405 P CA -0.311 62.758 63.100 -0.052 0.000 0.776 405 P CB 0.477 32.176 31.700 -0.001 0.000 0.876 406 V N 2.648 122.474 119.914 -0.147 0.000 2.498 406 V HA 0.146 4.266 4.120 -0.000 0.000 0.279 406 V C 1.165 177.199 176.094 -0.101 0.000 1.048 406 V CA -0.151 62.029 62.300 -0.199 0.000 0.967 406 V CB 0.712 32.284 31.823 -0.420 0.000 0.988 406 V HN 0.703 nan 8.190 nan 0.000 0.473 407 S N 4.556 120.209 115.700 -0.079 0.000 2.645 407 S HA 0.336 4.806 4.470 -0.000 0.000 0.266 407 S C 0.834 175.389 174.600 -0.075 0.000 1.258 407 S CA -0.534 57.632 58.200 -0.056 0.000 0.990 407 S CB 1.125 64.286 63.200 -0.065 0.000 0.967 407 S HN 0.596 nan 8.310 nan 0.000 0.556 408 L N 1.805 122.960 121.223 -0.114 0.000 2.056 408 L HA 0.183 4.522 4.340 -0.000 0.000 0.207 408 L C 2.300 179.062 176.870 -0.181 0.000 1.078 408 L CA 2.369 57.099 54.840 -0.183 0.000 0.749 408 L CB -1.606 40.209 42.059 -0.407 0.000 0.901 408 L HN 0.939 nan 8.230 nan 0.000 0.433 409 G N -1.108 107.573 108.800 -0.198 0.000 2.514 409 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.217 409 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.217 409 G C 1.463 176.285 174.900 -0.130 0.000 1.198 409 G CA 0.943 45.920 45.100 -0.204 0.000 0.780 409 G HN 0.540 nan 8.290 nan 0.000 0.565 410 Q N 0.020 119.774 119.800 -0.077 0.000 2.062 410 Q HA -0.222 4.118 4.340 -0.000 0.000 0.209 410 Q C 3.045 179.074 176.000 0.049 0.000 0.996 410 Q CA 1.765 57.560 55.803 -0.014 0.000 0.859 410 Q CB -0.373 28.357 28.738 -0.014 0.000 0.920 410 Q HN 0.495 nan 8.270 nan 0.000 0.415 411 A N 0.386 123.242 122.820 0.060 0.000 1.933 411 A HA -0.162 4.157 4.320 -0.000 0.000 0.218 411 A C 2.025 179.644 177.584 0.059 0.000 1.175 411 A CA 1.074 53.199 52.037 0.145 0.000 0.628 411 A CB -0.587 18.486 19.000 0.122 0.000 0.814 411 A HN 0.315 nan 8.150 nan 0.000 0.444 412 L N -1.001 120.207 121.223 -0.025 0.000 2.005 412 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 412 L C 2.663 179.516 176.870 -0.029 0.000 1.072 412 L CA 1.764 56.578 54.840 -0.043 0.000 0.744 412 L CB -0.640 41.322 42.059 -0.163 0.000 0.895 412 L HN 0.458 nan 8.230 nan 0.000 0.433 413 E N -0.392 119.777 120.200 -0.051 0.000 2.070 413 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 413 E C 2.224 178.812 176.600 -0.019 0.000 1.004 413 E CA 1.526 57.907 56.400 -0.031 0.000 0.805 413 E CB -0.176 29.504 29.700 -0.034 0.000 0.744 413 E HN 0.203 nan 8.360 nan 0.000 0.451 414 V N 0.639 120.557 119.914 0.007 0.000 2.453 414 V HA -0.247 3.873 4.120 -0.000 0.000 0.252 414 V C 2.168 178.227 176.094 -0.058 0.000 1.068 414 V CA 1.334 63.623 62.300 -0.017 0.000 1.070 414 V CB -0.200 31.624 31.823 0.003 0.000 0.664 414 V HN 0.159 nan 8.190 nan 0.000 0.461 415 V N -0.701 119.190 119.914 -0.038 0.000 2.407 415 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 415 V C 2.104 178.135 176.094 -0.106 0.000 1.041 415 V CA 1.808 64.075 62.300 -0.055 0.000 1.040 415 V CB -0.244 31.574 31.823 -0.009 0.000 0.671 415 V HN 0.419 nan 8.190 nan 0.000 0.455 416 I N -0.317 120.197 120.570 -0.094 0.000 2.127 416 I HA -0.369 3.800 4.170 -0.000 0.000 0.241 416 I C 2.668 178.630 176.117 -0.257 0.000 1.075 416 I CA 1.791 62.974 61.300 -0.195 0.000 1.334 416 I CB -0.406 37.559 38.000 -0.058 0.000 1.040 416 I HN 0.392 nan 8.210 nan 0.000 0.405 417 Q N 0.171 119.889 119.800 -0.136 0.000 1.998 417 Q HA -0.280 4.060 4.340 -0.000 0.000 0.209 417 Q C 2.229 178.152 176.000 -0.128 0.000 1.002 417 Q CA 1.786 57.523 55.803 -0.110 0.000 0.858 417 Q CB -0.317 28.383 28.738 -0.064 0.000 0.932 417 Q HN 0.294 nan 8.270 nan 0.000 0.416 418 L N 0.756 121.909 121.223 -0.116 0.000 2.270 418 L HA -0.255 4.085 4.340 -0.000 0.000 0.217 418 L C 2.244 179.050 176.870 -0.106 0.000 1.107 418 L CA 1.673 56.456 54.840 -0.094 0.000 0.772 418 L CB -0.608 41.395 42.059 -0.092 0.000 0.902 418 L HN 0.272 nan 8.230 nan 0.000 0.439 419 Q N -0.642 119.016 119.800 -0.236 0.000 2.008 419 Q HA -0.127 4.213 4.340 -0.000 0.000 0.196 419 Q C 2.145 178.023 176.000 -0.202 0.000 0.973 419 Q CA 1.181 56.797 55.803 -0.311 0.000 0.826 419 Q CB -0.345 27.924 28.738 -0.782 0.000 0.894 419 Q HN 0.522 nan 8.270 nan 0.000 0.439 420 E N 0.927 120.926 120.200 -0.335 0.000 2.136 420 E HA -0.230 4.120 4.350 -0.000 0.000 0.202 420 E C 1.973 178.578 176.600 0.007 0.000 1.019 420 E CA 1.196 57.553 56.400 -0.072 0.000 0.819 420 E CB -0.014 29.645 29.700 -0.068 0.000 0.739 420 E HN 0.123 nan 8.360 nan 0.000 0.458 421 K N 0.550 120.943 120.400 -0.012 0.000 2.002 421 K HA -0.244 4.076 4.320 -0.000 0.000 0.209 421 K C 2.150 178.780 176.600 0.050 0.000 1.048 421 K CA 2.036 58.332 56.287 0.014 0.000 0.930 421 K CB -0.375 32.125 32.500 0.000 0.000 0.714 421 K HN 0.259 nan 8.250 nan 0.000 0.438 422 H N 0.428 119.488 119.070 -0.017 0.000 2.319 422 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 422 H C 2.017 177.367 175.328 0.038 0.000 1.097 422 H CA 2.306 58.359 56.048 0.008 0.000 1.285 422 H CB -0.245 29.520 29.762 0.005 0.000 1.368 422 H HN -0.007 nan 8.280 nan 0.000 0.495 423 V N 0.862 120.840 119.914 0.107 0.000 2.278 423 V HA -0.335 3.785 4.120 -0.000 0.000 0.251 423 V C 2.338 178.420 176.094 -0.020 0.000 1.062 423 V CA 2.505 64.842 62.300 0.061 0.000 1.038 423 V CB -0.426 31.508 31.823 0.185 0.000 0.646 423 V HN 0.502 nan 8.190 nan 0.000 0.447 424 K N -0.813 119.590 120.400 0.005 0.000 1.973 424 K HA -0.182 4.137 4.320 -0.000 0.000 0.210 424 K C 1.943 178.535 176.600 -0.013 0.000 1.045 424 K CA 1.604 57.899 56.287 0.014 0.000 0.937 424 K CB -0.556 31.957 32.500 0.021 0.000 0.721 424 K HN 0.318 nan 8.250 nan 0.000 0.438 425 D N 0.776 121.153 120.400 -0.038 0.000 2.585 425 D HA -0.244 4.396 4.640 -0.000 0.000 0.190 425 D C 1.860 178.116 176.300 -0.073 0.000 1.057 425 D CA 1.513 55.480 54.000 -0.056 0.000 0.900 425 D CB -0.065 40.686 40.800 -0.082 0.000 0.900 425 D HN 0.243 nan 8.370 nan 0.000 0.463 426 E N 0.015 120.121 120.200 -0.157 0.000 2.016 426 E HA -0.112 4.237 4.350 -0.000 0.000 0.190 426 E C 2.270 178.876 176.600 0.009 0.000 0.985 426 E CA 0.522 56.844 56.400 -0.130 0.000 0.802 426 E CB -0.268 29.292 29.700 -0.233 0.000 0.762 426 E HN 0.466 nan 8.360 nan 0.000 0.448 427 Q N 0.626 120.457 119.800 0.053 0.000 2.029 427 Q HA -0.204 4.136 4.340 -0.000 0.000 0.209 427 Q C 2.419 178.643 176.000 0.373 0.000 0.999 427 Q CA 1.491 57.429 55.803 0.225 0.000 0.857 427 Q CB -0.291 28.604 28.738 0.262 0.000 0.926 427 Q HN 0.294 nan 8.270 nan 0.000 0.415 428 I N 0.814 121.520 120.570 0.227 0.000 2.094 428 I HA -0.383 3.787 4.170 -0.000 0.000 0.236 428 I C 2.381 178.603 176.117 0.176 0.000 1.016 428 I CA 2.217 63.626 61.300 0.181 0.000 1.294 428 I CB -0.679 37.371 38.000 0.083 0.000 1.006 428 I HN 0.420 nan 8.210 nan 0.000 0.397 429 E N -0.149 120.115 120.200 0.107 0.000 2.409 429 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 429 E C 2.006 178.653 176.600 0.078 0.000 1.024 429 E CA 1.124 57.569 56.400 0.074 0.000 0.861 429 E CB -0.484 29.238 29.700 0.036 0.000 0.788 429 E HN 0.616 nan 8.360 nan 0.000 0.521 430 H N -0.067 118.998 119.070 -0.008 0.000 2.317 430 H HA -0.080 4.476 4.556 -0.000 0.000 0.304 430 H C 1.031 176.281 175.328 -0.131 0.000 1.067 430 H CA 1.683 57.658 56.048 -0.121 0.000 1.352 430 H CB -0.344 29.270 29.762 -0.247 0.000 1.398 430 H HN 0.330 nan 8.280 nan 0.000 0.510 431 W N 1.885 123.164 121.300 -0.035 0.000 2.388 431 W HA -0.018 4.642 4.660 -0.000 0.000 0.294 431 W C 2.802 179.259 176.519 -0.103 0.000 1.212 431 W CA 0.539 57.820 57.345 -0.105 0.000 1.271 431 W CB -0.163 29.308 29.460 0.018 0.000 1.126 431 W HN 0.134 nan 8.180 nan 0.000 0.535 432 K N 1.126 121.622 120.400 0.159 0.000 2.218 432 K HA -0.220 4.100 4.320 -0.000 0.000 0.205 432 K C 1.784 178.387 176.600 0.005 0.000 1.046 432 K CA 1.242 57.572 56.287 0.072 0.000 0.933 432 K CB -0.158 32.378 32.500 0.061 0.000 0.728 432 K HN 0.170 nan 8.250 nan 0.000 0.454 433 K N 0.310 120.673 120.400 -0.061 0.000 2.116 433 K HA 0.017 4.337 4.320 -0.000 0.000 0.203 433 K C 2.139 178.665 176.600 -0.124 0.000 1.052 433 K CA 0.553 56.776 56.287 -0.107 0.000 0.952 433 K CB 0.053 32.455 32.500 -0.164 0.000 0.729 433 K HN 0.140 nan 8.250 nan 0.000 0.446 434 I N 1.294 121.764 120.570 -0.167 0.000 2.099 434 I HA -0.295 3.875 4.170 -0.000 0.000 0.239 434 I C 2.426 178.531 176.117 -0.020 0.000 1.066 434 I CA 1.474 62.710 61.300 -0.107 0.000 1.324 434 I CB -0.681 37.274 38.000 -0.075 0.000 1.037 434 I HN 0.009 nan 8.210 nan 0.000 0.401 435 V N -0.800 119.128 119.914 0.024 0.000 2.282 435 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 435 V C 2.444 178.539 176.094 0.003 0.000 1.057 435 V CA 1.937 64.252 62.300 0.025 0.000 1.032 435 V CB -1.068 30.776 31.823 0.036 0.000 0.645 435 V HN 0.380 nan 8.190 nan 0.000 0.447 436 K N -0.257 120.139 120.400 -0.006 0.000 2.211 436 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 436 K C 2.214 178.803 176.600 -0.018 0.000 1.047 436 K CA 1.889 58.169 56.287 -0.011 0.000 0.935 436 K CB -0.251 32.240 32.500 -0.014 0.000 0.728 436 K HN 0.664 nan 8.250 nan 0.000 0.452 437 T N 0.155 114.693 114.554 -0.027 0.000 2.781 437 T HA -0.104 4.246 4.350 -0.000 0.000 0.252 437 T C 1.599 176.287 174.700 -0.020 0.000 1.039 437 T CA 0.884 62.966 62.100 -0.029 0.000 1.147 437 T CB -0.057 68.785 68.868 -0.044 0.000 0.865 437 T HN 0.220 nan 8.240 nan 0.000 0.423 438 Q N 0.794 120.586 119.800 -0.014 0.000 2.449 438 Q HA -0.106 4.234 4.340 -0.000 0.000 0.214 438 Q C 1.693 177.690 176.000 -0.004 0.000 0.986 438 Q CA 1.305 57.105 55.803 -0.004 0.000 0.893 438 Q CB -0.021 28.723 28.738 0.010 0.000 0.940 438 Q HN 0.521 nan 8.270 nan 0.000 0.477 439 E N -1.270 118.927 120.200 -0.005 0.000 2.476 439 E HA -0.017 4.333 4.350 -0.000 0.000 0.199 439 E C 1.008 177.602 176.600 -0.009 0.000 1.021 439 E CA 0.022 56.419 56.400 -0.005 0.000 0.907 439 E CB 0.351 30.050 29.700 -0.002 0.000 0.974 439 E HN 0.389 nan 8.360 nan 0.000 0.489 440 E N 0.007 120.199 120.200 -0.013 0.000 2.140 440 E HA -0.100 4.249 4.350 -0.000 0.000 0.191 440 E C 1.851 178.439 176.600 -0.020 0.000 0.973 440 E CA 0.202 56.592 56.400 -0.017 0.000 0.829 440 E CB 0.168 29.856 29.700 -0.020 0.000 0.781 440 E HN 0.148 nan 8.360 nan 0.000 0.466 441 L N 2.121 123.333 121.223 -0.020 0.000 2.042 441 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 441 L C 2.282 179.141 176.870 -0.018 0.000 1.076 441 L CA 1.755 56.582 54.840 -0.022 0.000 0.749 441 L CB -0.264 41.785 42.059 -0.018 0.000 0.893 441 L HN -0.054 nan 8.230 nan 0.000 0.432 442 K N -0.468 119.925 120.400 -0.012 0.000 2.009 442 K HA -0.234 4.085 4.320 -0.000 0.000 0.210 442 K C 2.042 178.637 176.600 -0.009 0.000 1.049 442 K CA 1.967 58.250 56.287 -0.008 0.000 0.929 442 K CB -0.176 32.322 32.500 -0.004 0.000 0.714 442 K HN 0.470 nan 8.250 nan 0.000 0.440 443 E N 0.483 120.676 120.200 -0.011 0.000 2.077 443 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 443 E C 2.149 178.740 176.600 -0.015 0.000 0.989 443 E CA 0.928 57.321 56.400 -0.011 0.000 0.800 443 E CB -0.066 29.628 29.700 -0.011 0.000 0.746 443 E HN 0.168 nan 8.360 nan 0.000 0.452 444 L N 1.022 122.231 121.223 -0.024 0.000 1.989 444 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 444 L C 2.235 179.082 176.870 -0.038 0.000 1.071 444 L CA 1.482 56.300 54.840 -0.037 0.000 0.749 444 L CB -0.335 41.695 42.059 -0.049 0.000 0.890 444 L HN 0.151 nan 8.230 nan 0.000 0.431 445 L N -0.893 120.312 121.223 -0.030 0.000 2.013 445 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 445 L C 2.331 179.200 176.870 -0.001 0.000 1.073 445 L CA 1.658 56.487 54.840 -0.019 0.000 0.753 445 L CB -0.972 41.081 42.059 -0.011 0.000 0.890 445 L HN 0.366 nan 8.230 nan 0.000 0.432 446 N N 0.291 118.991 118.700 0.000 0.000 2.036 446 N HA -0.219 4.521 4.740 -0.000 0.000 0.195 446 N C 1.782 177.301 175.510 0.014 0.000 1.037 446 N CA 1.398 54.453 53.050 0.009 0.000 0.855 446 N CB -0.167 38.322 38.487 0.005 0.000 1.033 446 N HN 0.197 nan 8.380 nan 0.000 0.423 447 K N -0.024 120.379 120.400 0.005 0.000 2.032 447 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 447 K C 2.045 178.662 176.600 0.028 0.000 1.048 447 K CA 1.297 57.590 56.287 0.009 0.000 0.927 447 K CB -0.108 32.388 32.500 -0.007 0.000 0.712 447 K HN 0.185 nan 8.250 nan 0.000 0.441 448 M N -0.087 119.519 119.600 0.011 0.000 2.086 448 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 448 M C 2.172 178.567 176.300 0.157 0.000 1.067 448 M CA 1.341 56.669 55.300 0.047 0.000 1.116 448 M CB -0.156 32.399 32.600 -0.075 0.000 1.348 448 M HN 0.018 nan 8.290 nan 0.000 0.407 449 V N 1.124 121.094 119.914 0.094 0.000 2.233 449 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 449 V C 1.723 177.859 176.094 0.069 0.000 1.050 449 V CA 2.143 64.493 62.300 0.083 0.000 1.010 449 V CB -0.801 31.051 31.823 0.048 0.000 0.637 449 V HN 0.495 nan 8.190 nan 0.000 0.444 450 N N -0.426 118.305 118.700 0.052 0.000 2.513 450 N HA -0.112 4.628 4.740 -0.000 0.000 0.187 450 N C 1.241 176.779 175.510 0.047 0.000 1.056 450 N CA 0.788 53.861 53.050 0.039 0.000 0.907 450 N CB -0.280 38.224 38.487 0.029 0.000 0.954 450 N HN 0.346 nan 8.380 nan 0.000 0.445 451 L N 0.840 122.112 121.223 0.082 0.000 2.121 451 L HA 0.079 4.418 4.340 -0.000 0.000 0.200 451 L C 2.033 178.926 176.870 0.040 0.000 1.077 451 L CA 1.294 56.190 54.840 0.093 0.000 0.766 451 L CB -0.440 41.731 42.059 0.188 0.000 0.931 451 L HN -0.046 nan 8.230 nan 0.000 0.452 452 K N -0.654 119.767 120.400 0.034 0.000 2.293 452 K HA -0.274 4.046 4.320 -0.000 0.000 0.204 452 K C 1.840 178.410 176.600 -0.049 0.000 1.045 452 K CA 1.480 57.712 56.287 -0.092 0.000 0.933 452 K CB 0.149 32.605 32.500 -0.073 0.000 0.736 452 K HN 0.196 nan 8.250 nan 0.000 0.463 453 E N 0.661 120.857 120.200 -0.006 0.000 2.046 453 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 453 E C 1.656 178.254 176.600 -0.003 0.000 0.982 453 E CA 1.302 57.700 56.400 -0.002 0.000 0.800 453 E CB 0.152 29.859 29.700 0.010 0.000 0.756 453 E HN 0.191 nan 8.360 nan 0.000 0.449 454 K N 0.008 120.408 120.400 0.001 0.000 2.025 454 K HA 0.003 4.323 4.320 -0.000 0.000 0.207 454 K C 2.124 178.720 176.600 -0.008 0.000 1.049 454 K CA 0.992 57.281 56.287 0.003 0.000 0.933 454 K CB -0.155 32.350 32.500 0.008 0.000 0.714 454 K HN 0.143 nan 8.250 nan 0.000 0.438 455 I N 1.393 121.943 120.570 -0.033 0.000 2.335 455 I HA -0.321 3.849 4.170 -0.000 0.000 0.251 455 I C 2.437 178.527 176.117 -0.044 0.000 1.129 455 I CA 1.299 62.563 61.300 -0.061 0.000 1.402 455 I CB -0.349 37.569 38.000 -0.138 0.000 1.069 455 I HN 0.249 nan 8.210 nan 0.000 0.424 456 K N 0.865 121.238 120.400 -0.045 0.000 1.973 456 K HA -0.235 4.085 4.320 -0.000 0.000 0.212 456 K C 2.115 178.740 176.600 0.041 0.000 1.047 456 K CA 1.643 57.914 56.287 -0.027 0.000 0.937 456 K CB -0.226 32.257 32.500 -0.029 0.000 0.721 456 K HN 0.252 nan 8.250 nan 0.000 0.440 457 E N 1.052 121.272 120.200 0.032 0.000 2.153 457 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 457 E C 2.028 178.664 176.600 0.060 0.000 0.988 457 E CA 0.564 56.991 56.400 0.045 0.000 0.811 457 E CB 0.047 29.763 29.700 0.028 0.000 0.746 457 E HN 0.248 nan 8.360 nan 0.000 0.466 458 L N 0.719 121.976 121.223 0.056 0.000 2.027 458 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 458 L C 2.518 179.445 176.870 0.096 0.000 1.074 458 L CA 2.214 57.088 54.840 0.057 0.000 0.745 458 L CB -0.869 41.207 42.059 0.028 0.000 0.898 458 L HN 0.325 nan 8.230 nan 0.000 0.433 459 H N -0.077 118.994 119.070 0.001 0.000 2.265 459 H HA -0.298 4.257 4.556 -0.000 0.000 0.295 459 H C 2.257 177.644 175.328 0.098 0.000 1.084 459 H CA 2.479 58.542 56.048 0.025 0.000 1.261 459 H CB -0.077 29.672 29.762 -0.021 0.000 1.360 459 H HN 0.270 nan 8.280 nan 0.000 0.487 460 Q N 0.735 120.632 119.800 0.163 0.000 2.045 460 Q HA -0.324 4.016 4.340 -0.000 0.000 0.215 460 Q C 2.387 178.395 176.000 0.014 0.000 1.026 460 Q CA 2.692 58.540 55.803 0.075 0.000 0.885 460 Q CB -0.690 28.101 28.738 0.087 0.000 0.984 460 Q HN 0.784 nan 8.270 nan 0.000 0.414 461 Q N -1.752 118.070 119.800 0.037 0.000 2.197 461 Q HA -0.216 4.124 4.340 -0.000 0.000 0.207 461 Q C 1.902 177.917 176.000 0.025 0.000 0.984 461 Q CA 1.685 57.504 55.803 0.027 0.000 0.869 461 Q CB -0.359 28.403 28.738 0.040 0.000 0.906 461 Q HN 0.633 nan 8.270 nan 0.000 0.426 462 Y N 1.006 121.243 120.300 -0.105 0.000 2.286 462 Y HA -0.132 4.418 4.550 -0.000 0.000 0.293 462 Y C 2.086 177.899 175.900 -0.146 0.000 1.124 462 Y CA 1.245 59.277 58.100 -0.114 0.000 1.178 462 Y CB 0.141 38.530 38.460 -0.118 0.000 1.010 462 Y HN -0.174 nan 8.280 nan 0.000 0.536 463 K N 1.056 121.393 120.400 -0.104 0.000 2.002 463 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 463 K C 1.979 178.471 176.600 -0.179 0.000 1.048 463 K CA 2.188 58.367 56.287 -0.180 0.000 0.930 463 K CB -0.353 32.062 32.500 -0.141 0.000 0.714 463 K HN 0.486 nan 8.250 nan 0.000 0.438 464 E N -0.664 119.469 120.200 -0.111 0.000 2.147 464 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 464 E C 1.769 178.300 176.600 -0.116 0.000 1.005 464 E CA 1.330 57.678 56.400 -0.086 0.000 0.810 464 E CB -0.186 29.485 29.700 -0.047 0.000 0.736 464 E HN 0.429 nan 8.360 nan 0.000 0.460 465 A N 0.325 123.048 122.820 -0.160 0.000 2.119 465 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 465 A C 2.186 179.631 177.584 -0.231 0.000 1.152 465 A CA 0.687 52.626 52.037 -0.164 0.000 0.708 465 A CB 0.067 18.979 19.000 -0.147 0.000 0.805 465 A HN 0.045 nan 8.150 nan 0.000 0.460 466 S N -0.056 115.437 115.700 -0.346 0.000 2.461 466 S HA -0.048 4.422 4.470 -0.000 0.000 0.228 466 S C 1.532 176.023 174.600 -0.181 0.000 1.005 466 S CA 0.788 58.790 58.200 -0.330 0.000 0.942 466 S CB -0.139 62.782 63.200 -0.466 0.000 0.776 466 S HN 0.660 nan 8.310 nan 0.000 0.514 467 E N 0.990 121.106 120.200 -0.141 0.000 2.435 467 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 467 E C 0.204 176.764 176.600 -0.068 0.000 1.029 467 E CA 0.144 56.492 56.400 -0.087 0.000 0.865 467 E CB -0.201 29.459 29.700 -0.065 0.000 0.833 467 E HN 0.241 nan 8.360 nan 0.000 0.510 468 V N 3.711 123.581 119.914 -0.074 0.000 2.421 468 V HA -0.014 4.106 4.120 -0.000 0.000 0.271 468 V C 0.715 176.776 176.094 -0.054 0.000 1.031 468 V CA 0.128 62.396 62.300 -0.053 0.000 1.032 468 V CB 0.241 32.036 31.823 -0.048 0.000 1.009 468 V HN -0.030 nan 8.190 nan 0.000 0.477 469 K N 7.166 127.541 120.400 -0.041 0.000 2.298 469 K HA 0.346 4.666 4.320 -0.000 0.000 0.280 469 K C -2.096 174.486 176.600 -0.031 0.000 1.032 469 K CA -1.575 54.690 56.287 -0.037 0.000 0.958 469 K CB 1.130 33.613 32.500 -0.029 0.000 0.978 469 K HN 0.418 nan 8.250 nan 0.000 0.472 470 P HA 0.179 nan 4.420 nan 0.000 0.272 470 P C -2.377 174.912 177.300 -0.017 0.000 1.223 470 P CA -0.992 62.095 63.100 -0.023 0.000 0.784 470 P CB -0.428 31.258 31.700 -0.024 0.000 0.923 471 P HA 0.373 nan 4.420 nan 0.000 0.288 471 P C -0.475 176.819 177.300 -0.010 0.000 1.267 471 P CA -0.405 62.688 63.100 -0.011 0.000 0.815 471 P CB 1.142 32.838 31.700 -0.008 0.000 0.989 472 R N 0.642 121.137 120.500 -0.009 0.000 2.888 472 R HA 0.553 4.893 4.340 -0.000 0.000 0.266 472 R C -0.399 175.902 176.300 0.002 0.000 1.020 472 R CA -0.896 55.200 56.100 -0.005 0.000 0.963 472 R CB 0.848 31.143 30.300 -0.009 0.000 1.197 472 R HN 0.402 nan 8.270 nan 0.000 0.481 473 D N 0.637 121.041 120.400 0.006 0.000 2.414 473 D HA -0.009 4.631 4.640 -0.000 0.000 0.259 473 D C 0.891 177.205 176.300 0.023 0.000 1.269 473 D CA -0.640 53.366 54.000 0.010 0.000 1.028 473 D CB 0.638 41.442 40.800 0.006 0.000 1.093 473 D HN 0.432 nan 8.370 nan 0.000 0.545 474 I N -0.194 120.390 120.570 0.025 0.000 2.353 474 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 474 I C 2.396 178.559 176.117 0.076 0.000 1.119 474 I CA 1.755 63.082 61.300 0.045 0.000 1.417 474 I CB -0.744 37.274 38.000 0.030 0.000 1.078 474 I HN 0.707 nan 8.210 nan 0.000 0.421 475 T N -1.459 113.121 114.554 0.044 0.000 2.746 475 T HA -0.116 4.233 4.350 -0.000 0.000 0.267 475 T C 1.979 176.763 174.700 0.139 0.000 1.039 475 T CA 1.090 63.227 62.100 0.061 0.000 1.142 475 T CB -0.859 68.013 68.868 0.006 0.000 0.866 475 T HN 0.253 nan 8.240 nan 0.000 0.444 476 A N 1.274 124.143 122.820 0.082 0.000 2.014 476 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 476 A C 2.244 179.863 177.584 0.058 0.000 1.163 476 A CA 1.653 53.729 52.037 0.064 0.000 0.652 476 A CB -0.689 18.326 19.000 0.024 0.000 0.808 476 A HN 0.578 nan 8.150 nan 0.000 0.449 477 E N -0.714 119.529 120.200 0.071 0.000 2.107 477 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 477 E C 1.552 178.200 176.600 0.080 0.000 0.982 477 E CA 1.179 57.609 56.400 0.051 0.000 0.809 477 E CB -0.441 29.289 29.700 0.050 0.000 0.756 477 E HN 0.571 nan 8.360 nan 0.000 0.459 478 F N 0.331 120.282 119.950 0.000 0.000 2.102 478 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 478 F C 1.907 177.720 175.800 0.023 0.000 1.105 478 F CA 1.383 59.391 58.000 0.013 0.000 1.239 478 F CB -0.449 38.558 39.000 0.011 0.000 0.991 478 F HN 0.140 nan 8.300 nan 0.000 0.474 479 L N -0.170 121.111 121.223 0.097 0.000 2.013 479 L HA -0.242 4.097 4.340 -0.000 0.000 0.212 479 L C 2.349 179.157 176.870 -0.104 0.000 1.073 479 L CA 1.636 56.468 54.840 -0.013 0.000 0.753 479 L CB -0.676 41.428 42.059 0.075 0.000 0.890 479 L HN 0.110 nan 8.230 nan 0.000 0.432 480 V N -0.449 119.419 119.914 -0.077 0.000 2.233 480 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 480 V C 2.650 178.753 176.094 0.014 0.000 1.050 480 V CA 1.855 64.115 62.300 -0.067 0.000 1.010 480 V CB -0.622 31.132 31.823 -0.116 0.000 0.637 480 V HN 0.409 nan 8.190 nan 0.000 0.444 481 K N 0.238 120.594 120.400 -0.074 0.000 2.063 481 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 481 K C 2.491 179.027 176.600 -0.105 0.000 1.048 481 K CA 1.852 58.100 56.287 -0.065 0.000 0.928 481 K CB -0.994 31.447 32.500 -0.097 0.000 0.713 481 K HN 0.544 nan 8.250 nan 0.000 0.442 482 S N 1.366 116.845 115.700 -0.368 0.000 2.363 482 S HA -0.161 4.309 4.470 -0.000 0.000 0.218 482 S C 1.852 176.373 174.600 -0.131 0.000 1.035 482 S CA 1.307 59.262 58.200 -0.408 0.000 1.043 482 S CB -0.049 62.629 63.200 -0.869 0.000 0.986 482 S HN 0.119 nan 8.310 nan 0.000 0.423 483 K N 0.860 121.227 120.400 -0.055 0.000 2.173 483 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 483 K C 2.120 178.757 176.600 0.062 0.000 1.046 483 K CA 1.612 57.927 56.287 0.046 0.000 0.929 483 K CB -1.134 31.447 32.500 0.134 0.000 0.720 483 K HN 0.714 nan 8.250 nan 0.000 0.453 484 H N 1.010 120.101 119.070 0.035 0.000 2.321 484 H HA -0.080 4.476 4.556 -0.000 0.000 0.300 484 H C 2.294 177.561 175.328 -0.102 0.000 1.087 484 H CA 1.636 57.631 56.048 -0.087 0.000 1.319 484 H CB 0.227 29.991 29.762 0.003 0.000 1.379 484 H HN 0.118 nan 8.280 nan 0.000 0.501 485 R N 0.551 121.047 120.500 -0.007 0.000 2.070 485 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 485 R C 1.682 177.920 176.300 -0.103 0.000 1.138 485 R CA 2.001 58.064 56.100 -0.062 0.000 0.936 485 R CB -0.388 29.905 30.300 -0.011 0.000 0.839 485 R HN 0.311 nan 8.270 nan 0.000 0.429 486 D N 0.843 121.201 120.400 -0.070 0.000 2.244 486 D HA -0.232 4.408 4.640 -0.000 0.000 0.197 486 D C 1.790 178.040 176.300 -0.083 0.000 1.006 486 D CA 1.246 55.212 54.000 -0.056 0.000 0.888 486 D CB -0.191 40.591 40.800 -0.031 0.000 0.912 486 D HN 0.239 nan 8.370 nan 0.000 0.452 487 L N 0.194 121.332 121.223 -0.142 0.000 2.049 487 L HA -0.097 4.243 4.340 -0.000 0.000 0.203 487 L C 2.428 179.182 176.870 -0.194 0.000 1.074 487 L CA 1.742 56.479 54.840 -0.172 0.000 0.749 487 L CB -0.706 41.204 42.059 -0.249 0.000 0.907 487 L HN 0.132 nan 8.230 nan 0.000 0.439 488 T N -2.577 111.809 114.554 -0.280 0.000 2.881 488 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 488 T C 1.789 176.420 174.700 -0.115 0.000 1.068 488 T CA 0.861 62.829 62.100 -0.220 0.000 1.131 488 T CB -0.684 68.023 68.868 -0.268 0.000 0.871 488 T HN 0.374 nan 8.240 nan 0.000 0.479 489 A N 2.389 125.153 122.820 -0.093 0.000 1.835 489 A HA 0.133 4.453 4.320 -0.000 0.000 0.215 489 A C 2.452 180.017 177.584 -0.031 0.000 1.199 489 A CA 1.420 53.429 52.037 -0.048 0.000 0.615 489 A CB -1.058 17.921 19.000 -0.035 0.000 0.838 489 A HN 0.501 nan 8.150 nan 0.000 0.444 490 L N -0.578 120.624 121.223 -0.035 0.000 2.189 490 L HA -0.281 4.059 4.340 -0.000 0.000 0.214 490 L C 2.709 179.580 176.870 0.002 0.000 1.097 490 L CA 1.271 56.104 54.840 -0.012 0.000 0.764 490 L CB -0.894 41.153 42.059 -0.020 0.000 0.900 490 L HN 0.547 nan 8.230 nan 0.000 0.436 491 C N -0.403 118.878 119.300 -0.033 0.000 2.476 491 C HA -0.140 4.320 4.460 -0.000 0.000 0.278 491 C C 2.818 177.829 174.990 0.035 0.000 1.274 491 C CA 0.572 59.580 59.018 -0.017 0.000 1.713 491 C CB -0.380 27.318 27.740 -0.070 0.000 2.039 491 C HN 0.454 nan 8.230 nan 0.000 0.484 492 K N 1.662 122.066 120.400 0.006 0.000 2.015 492 K HA -0.244 4.076 4.320 -0.000 0.000 0.220 492 K C 1.768 178.389 176.600 0.034 0.000 1.055 492 K CA 2.161 58.456 56.287 0.013 0.000 0.951 492 K CB -0.538 31.960 32.500 -0.003 0.000 0.725 492 K HN 0.562 nan 8.250 nan 0.000 0.449 493 E N -1.231 118.990 120.200 0.036 0.000 2.086 493 E HA -0.269 4.081 4.350 -0.000 0.000 0.200 493 E C 2.076 178.711 176.600 0.058 0.000 1.012 493 E CA 1.881 58.303 56.400 0.038 0.000 0.812 493 E CB -0.362 29.363 29.700 0.041 0.000 0.743 493 E HN 0.525 nan 8.360 nan 0.000 0.453 494 Y N 1.696 121.980 120.300 -0.027 0.000 2.421 494 Y HA -0.162 4.387 4.550 -0.000 0.000 0.292 494 Y C 1.649 177.534 175.900 -0.025 0.000 1.136 494 Y CA 1.177 59.261 58.100 -0.026 0.000 1.255 494 Y CB 0.236 38.678 38.460 -0.030 0.000 0.991 494 Y HN -0.010 nan 8.280 nan 0.000 0.552 495 D N 0.245 120.726 120.400 0.134 0.000 2.103 495 D HA -0.164 4.475 4.640 -0.000 0.000 0.199 495 D C 1.692 177.971 176.300 -0.037 0.000 0.978 495 D CA 1.449 55.483 54.000 0.057 0.000 0.829 495 D CB -0.246 40.590 40.800 0.061 0.000 0.981 495 D HN 0.557 nan 8.370 nan 0.000 0.464 496 E N 0.125 120.307 120.200 -0.030 0.000 2.267 496 E HA -0.144 4.205 4.350 -0.000 0.000 0.197 496 E C 1.787 178.335 176.600 -0.085 0.000 0.998 496 E CA 0.424 56.797 56.400 -0.046 0.000 0.830 496 E CB 0.112 29.796 29.700 -0.027 0.000 0.751 496 E HN 0.145 nan 8.360 nan 0.000 0.491 497 L N -0.261 120.875 121.223 -0.145 0.000 2.354 497 L HA 0.072 4.411 4.340 -0.000 0.000 0.212 497 L C 2.112 178.832 176.870 -0.250 0.000 1.091 497 L CA 0.897 55.621 54.840 -0.194 0.000 0.828 497 L CB -0.166 41.759 42.059 -0.223 0.000 0.973 497 L HN -0.001 nan 8.230 nan 0.000 0.461 498 A N -0.974 121.656 122.820 -0.317 0.000 2.067 498 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 498 A C 2.127 179.636 177.584 -0.126 0.000 1.156 498 A CA 1.111 53.000 52.037 -0.246 0.000 0.683 498 A CB -0.240 18.613 19.000 -0.245 0.000 0.808 498 A HN 0.373 nan 8.150 nan 0.000 0.455 499 E N 0.191 120.330 120.200 -0.102 0.000 2.000 499 E HA -0.152 4.197 4.350 -0.000 0.000 0.199 499 E C 1.933 178.495 176.600 -0.063 0.000 1.011 499 E CA 2.356 58.718 56.400 -0.064 0.000 0.836 499 E CB -0.860 28.810 29.700 -0.050 0.000 0.778 499 E HN 0.368 nan 8.360 nan 0.000 0.462 500 T N 0.823 115.337 114.554 -0.067 0.000 2.649 500 T HA -0.323 4.027 4.350 -0.000 0.000 0.268 500 T C 1.766 176.429 174.700 -0.062 0.000 1.036 500 T CA 1.889 63.953 62.100 -0.060 0.000 1.157 500 T CB -0.485 68.346 68.868 -0.062 0.000 0.861 500 T HN 0.342 nan 8.240 nan 0.000 0.445 501 Q N 0.113 119.864 119.800 -0.081 0.000 2.133 501 Q HA -0.173 4.167 4.340 -0.000 0.000 0.208 501 Q C 2.521 178.489 176.000 -0.053 0.000 0.991 501 Q CA 1.938 57.697 55.803 -0.073 0.000 0.867 501 Q CB -0.609 28.071 28.738 -0.097 0.000 0.911 501 Q HN 0.631 nan 8.270 nan 0.000 0.417 502 G N 0.797 109.566 108.800 -0.051 0.000 2.421 502 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 502 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 502 G C 1.317 176.199 174.900 -0.031 0.000 1.171 502 G CA 0.851 45.929 45.100 -0.037 0.000 0.775 502 G HN 0.309 nan 8.290 nan 0.000 0.543 503 K N 0.060 120.440 120.400 -0.033 0.000 2.020 503 K HA -0.054 4.266 4.320 -0.000 0.000 0.212 503 K C 2.487 179.070 176.600 -0.029 0.000 1.050 503 K CA 1.137 57.407 56.287 -0.029 0.000 0.929 503 K CB -0.431 32.052 32.500 -0.030 0.000 0.714 503 K HN 0.258 nan 8.250 nan 0.000 0.443 504 L N 1.057 122.260 121.223 -0.032 0.000 2.046 504 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 504 L C 2.327 179.180 176.870 -0.029 0.000 1.077 504 L CA 1.425 56.246 54.840 -0.032 0.000 0.747 504 L CB -0.575 41.465 42.059 -0.033 0.000 0.896 504 L HN 0.303 nan 8.230 nan 0.000 0.432 505 E N 0.014 120.198 120.200 -0.027 0.000 2.209 505 E HA -0.250 4.099 4.350 -0.000 0.000 0.196 505 E C 1.980 178.568 176.600 -0.020 0.000 0.993 505 E CA 1.530 57.916 56.400 -0.022 0.000 0.819 505 E CB 0.096 29.784 29.700 -0.021 0.000 0.745 505 E HN 0.660 nan 8.360 nan 0.000 0.477 506 E N 0.904 121.090 120.200 -0.022 0.000 2.099 506 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 506 E C 1.377 177.962 176.600 -0.025 0.000 0.962 506 E CA 0.215 56.602 56.400 -0.021 0.000 0.826 506 E CB -0.254 29.435 29.700 -0.019 0.000 0.788 506 E HN -0.134 nan 8.360 nan 0.000 0.461 507 K N 1.087 121.470 120.400 -0.028 0.000 3.271 507 K HA -0.001 4.319 4.320 -0.000 0.000 0.281 507 K C 0.359 176.934 176.600 -0.040 0.000 1.000 507 K CA 0.222 56.490 56.287 -0.033 0.000 1.087 507 K CB -0.217 32.264 32.500 -0.033 0.000 1.214 507 K HN 0.386 nan 8.250 nan 0.000 0.313 508 L N -0.555 120.645 121.223 -0.038 0.000 4.293 508 L HA -0.057 4.283 4.340 -0.000 0.000 0.441 508 L C 1.137 177.987 176.870 -0.033 0.000 0.914 508 L CA 0.114 54.930 54.840 -0.041 0.000 1.791 508 L CB 0.234 42.276 42.059 -0.029 0.000 2.207 508 L HN 0.179 nan 8.230 nan 0.000 0.614 509 Q N -0.014 119.772 119.800 -0.024 0.000 2.376 509 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 509 Q C 1.393 177.378 176.000 -0.025 0.000 0.921 509 Q CA 0.768 56.560 55.803 -0.019 0.000 0.911 509 Q CB 0.413 29.144 28.738 -0.012 0.000 1.032 509 Q HN 0.216 nan 8.270 nan 0.000 0.510 510 E N 1.367 121.550 120.200 -0.028 0.000 2.095 510 E HA -0.240 4.110 4.350 -0.000 0.000 0.212 510 E C 1.454 178.034 176.600 -0.032 0.000 1.044 510 E CA 1.790 58.172 56.400 -0.030 0.000 0.857 510 E CB -0.354 29.326 29.700 -0.033 0.000 0.764 510 E HN 0.361 nan 8.360 nan 0.000 0.462 511 L N -0.533 120.660 121.223 -0.051 0.000 2.131 511 L HA 0.009 4.348 4.340 -0.000 0.000 0.206 511 L C 2.509 179.355 176.870 -0.039 0.000 1.087 511 L CA 1.295 56.100 54.840 -0.058 0.000 0.767 511 L CB -0.480 41.467 42.059 -0.188 0.000 0.917 511 L HN 0.163 nan 8.230 nan 0.000 0.441 512 E N 0.369 120.534 120.200 -0.059 0.000 2.418 512 E HA -0.098 4.252 4.350 -0.000 0.000 0.197 512 E C 2.122 178.701 176.600 -0.035 0.000 1.026 512 E CA 0.790 57.161 56.400 -0.048 0.000 0.862 512 E CB 0.105 29.802 29.700 -0.006 0.000 0.799 512 E HN 0.433 nan 8.360 nan 0.000 0.518 513 A N 1.397 124.198 122.820 -0.032 0.000 1.970 513 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 513 A C 0.609 178.164 177.584 -0.049 0.000 1.170 513 A CA 0.594 52.612 52.037 -0.031 0.000 0.645 513 A CB 0.100 19.085 19.000 -0.025 0.000 0.816 513 A HN 0.231 nan 8.150 nan 0.000 0.447 514 N N 0.847 119.507 118.700 -0.065 0.000 2.804 514 N HA 0.294 5.034 4.740 -0.000 0.000 0.251 514 N C -3.427 171.943 175.510 -0.233 0.000 1.250 514 N CA -1.257 51.729 53.050 -0.107 0.000 0.820 514 N CB 0.816 39.257 38.487 -0.077 0.000 1.156 514 N HN 0.112 nan 8.380 nan 0.000 0.512 515 P HA 0.333 nan 4.420 nan 0.000 0.276 515 P C -2.277 174.771 177.300 -0.420 0.000 1.230 515 P CA -0.851 61.881 63.100 -0.614 0.000 0.776 515 P CB 0.136 31.628 31.700 -0.346 0.000 0.888 516 P HA -0.056 nan 4.420 nan 0.000 0.271 516 P C 0.175 177.400 177.300 -0.124 0.000 1.197 516 P CA 0.576 63.535 63.100 -0.235 0.000 0.777 516 P CB 0.086 31.656 31.700 -0.216 0.000 0.827 517 S N 1.271 116.937 115.700 -0.056 0.000 2.552 517 S HA -0.081 4.389 4.470 -0.000 0.000 0.289 517 S C 1.342 175.951 174.600 0.015 0.000 1.304 517 S CA -0.097 58.093 58.200 -0.017 0.000 1.063 517 S CB 0.101 63.301 63.200 0.000 0.000 0.848 517 S HN 0.533 nan 8.310 nan 0.000 0.499 518 D N 1.445 121.859 120.400 0.024 0.000 2.106 518 D HA -0.125 4.515 4.640 -0.000 0.000 0.191 518 D C 0.727 177.062 176.300 0.058 0.000 0.997 518 D CA 1.543 55.572 54.000 0.049 0.000 0.834 518 D CB 0.057 40.879 40.800 0.037 0.000 0.956 518 D HN 0.431 nan 8.370 nan 0.000 0.448 519 V N -2.876 117.069 119.914 0.051 0.000 3.040 519 V HA 0.321 4.441 4.120 -0.000 0.000 0.312 519 V C 0.693 176.844 176.094 0.095 0.000 1.115 519 V CA -1.005 61.341 62.300 0.078 0.000 0.998 519 V CB 1.305 33.165 31.823 0.061 0.000 1.042 519 V HN 0.093 nan 8.190 nan 0.000 0.433 520 Y N 2.849 123.174 120.300 0.041 0.000 2.114 520 Y HA 0.386 4.935 4.550 -0.000 0.000 0.284 520 Y C 0.520 176.444 175.900 0.039 0.000 1.119 520 Y CA 1.483 59.611 58.100 0.047 0.000 1.108 520 Y CB 0.235 38.729 38.460 0.056 0.000 0.995 520 Y HN 0.540 nan 8.280 nan 0.000 0.491 521 L N 0.354 121.634 121.223 0.095 0.000 2.431 521 L HA 0.312 4.652 4.340 -0.000 0.000 0.266 521 L C -0.082 176.823 176.870 0.059 0.000 0.978 521 L CA -0.936 53.903 54.840 -0.002 0.000 0.822 521 L CB 2.032 44.127 42.059 0.058 0.000 1.310 521 L HN 0.145 nan 8.230 nan 0.000 0.409 522 S N 0.533 116.242 115.700 0.016 0.000 2.626 522 S HA 0.177 4.647 4.470 -0.000 0.000 0.257 522 S C 0.933 175.556 174.600 0.039 0.000 1.288 522 S CA -0.261 57.954 58.200 0.025 0.000 0.980 522 S CB 1.326 64.527 63.200 0.002 0.000 0.975 522 S HN 0.573 nan 8.310 nan 0.000 0.577 523 S N -0.167 115.555 115.700 0.036 0.000 2.489 523 S HA 0.094 4.564 4.470 -0.000 0.000 0.228 523 S C 1.803 176.423 174.600 0.034 0.000 0.995 523 S CA 0.336 58.561 58.200 0.042 0.000 0.934 523 S CB -0.359 62.863 63.200 0.037 0.000 0.771 523 S HN 0.696 nan 8.310 nan 0.000 0.522 524 R N 0.835 121.345 120.500 0.017 0.000 2.173 524 R HA 0.016 4.356 4.340 -0.000 0.000 0.208 524 R C 1.147 177.450 176.300 0.005 0.000 1.035 524 R CA 0.836 56.938 56.100 0.004 0.000 1.004 524 R CB 0.108 30.400 30.300 -0.014 0.000 0.917 524 R HN 0.286 nan 8.270 nan 0.000 0.462 525 D N 0.260 120.665 120.400 0.008 0.000 2.096 525 D HA -0.127 4.512 4.640 -0.000 0.000 0.207 525 D C 1.670 177.998 176.300 0.047 0.000 0.976 525 D CA 0.658 54.662 54.000 0.007 0.000 0.875 525 D CB -0.339 40.452 40.800 -0.014 0.000 1.009 525 D HN -0.012 nan 8.370 nan 0.000 0.449 526 R N 0.678 121.226 120.500 0.080 0.000 2.246 526 R HA -0.229 4.111 4.340 -0.000 0.000 0.266 526 R C 2.151 178.529 176.300 0.129 0.000 1.163 526 R CA 1.397 57.575 56.100 0.130 0.000 0.992 526 R CB -0.558 29.823 30.300 0.136 0.000 0.895 526 R HN 0.482 nan 8.270 nan 0.000 0.465 527 Q N -0.542 119.316 119.800 0.096 0.000 2.123 527 Q HA 0.002 4.341 4.340 -0.000 0.000 0.199 527 Q C 2.241 178.306 176.000 0.108 0.000 0.966 527 Q CA 0.864 56.726 55.803 0.099 0.000 0.845 527 Q CB 0.099 28.876 28.738 0.064 0.000 0.907 527 Q HN 0.381 nan 8.270 nan 0.000 0.439 528 I N 0.120 120.737 120.570 0.078 0.000 2.277 528 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 528 I C 2.186 178.410 176.117 0.178 0.000 1.094 528 I CA 0.335 61.690 61.300 0.091 0.000 1.393 528 I CB -0.139 37.872 38.000 0.019 0.000 1.078 528 I HN 0.230 nan 8.210 nan 0.000 0.417 529 L N 1.129 122.406 121.223 0.090 0.000 2.089 529 L HA -0.309 4.031 4.340 -0.000 0.000 0.213 529 L C 1.832 178.598 176.870 -0.174 0.000 1.079 529 L CA 2.055 56.861 54.840 -0.056 0.000 0.758 529 L CB -0.790 41.244 42.059 -0.043 0.000 0.891 529 L HN 0.197 nan 8.230 nan 0.000 0.433 530 D N -1.704 118.751 120.400 0.092 0.000 2.178 530 D HA -0.248 4.392 4.640 -0.000 0.000 0.201 530 D C 1.738 178.155 176.300 0.194 0.000 0.980 530 D CA 1.218 55.358 54.000 0.233 0.000 0.842 530 D CB -0.280 40.662 40.800 0.237 0.000 0.948 530 D HN 0.642 nan 8.370 nan 0.000 0.472 531 W N 0.694 121.984 121.300 -0.016 0.000 2.418 531 W HA -0.125 4.535 4.660 -0.000 0.000 0.292 531 W C 2.201 178.624 176.519 -0.160 0.000 1.213 531 W CA 1.145 58.478 57.345 -0.019 0.000 1.283 531 W CB -0.196 29.247 29.460 -0.028 0.000 1.119 531 W HN 0.078 nan 8.180 nan 0.000 0.542 532 H N -0.669 118.425 119.070 0.040 0.000 2.489 532 H HA -0.134 4.422 4.556 -0.000 0.000 0.293 532 H C 1.719 176.647 175.328 -0.666 0.000 1.066 532 H CA 1.672 57.396 56.048 -0.540 0.000 1.305 532 H CB -0.377 28.748 29.762 -1.062 0.000 1.386 532 H HN 0.219 nan 8.280 nan 0.000 0.551 533 F N 0.502 120.367 119.950 -0.141 0.000 2.219 533 F HA 0.070 4.597 4.527 -0.000 0.000 0.294 533 F C 2.737 178.396 175.800 -0.235 0.000 1.086 533 F CA 0.518 58.460 58.000 -0.097 0.000 1.330 533 F CB -0.950 38.042 39.000 -0.014 0.000 1.047 533 F HN 0.056 nan 8.300 nan 0.000 0.495 534 A N 0.308 123.017 122.820 -0.185 0.000 1.892 534 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 534 A C 2.195 179.372 177.584 -0.679 0.000 1.188 534 A CA 2.245 53.922 52.037 -0.601 0.000 0.631 534 A CB -1.403 17.020 19.000 -0.962 0.000 0.822 534 A HN 0.508 nan 8.150 nan 0.000 0.447 535 N N -0.878 117.508 118.700 -0.524 0.000 2.094 535 N HA -0.200 4.540 4.740 -0.000 0.000 0.191 535 N C 1.743 177.348 175.510 0.159 0.000 1.023 535 N CA 1.552 54.540 53.050 -0.104 0.000 0.857 535 N CB -0.171 38.104 38.487 -0.352 0.000 1.013 535 N HN 0.371 nan 8.380 nan 0.000 0.426 536 L N 1.956 123.231 121.223 0.087 0.000 2.083 536 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 536 L C 1.982 178.889 176.870 0.061 0.000 1.083 536 L CA 1.587 56.526 54.840 0.166 0.000 0.752 536 L CB -0.370 41.825 42.059 0.227 0.000 0.899 536 L HN 0.191 nan 8.230 nan 0.000 0.433 537 E N -1.057 119.124 120.200 -0.031 0.000 2.110 537 E HA -0.283 4.066 4.350 -0.000 0.000 0.193 537 E C 2.104 178.678 176.600 -0.044 0.000 0.988 537 E CA 1.522 57.861 56.400 -0.101 0.000 0.804 537 E CB -0.494 29.102 29.700 -0.174 0.000 0.745 537 E HN 0.612 nan 8.360 nan 0.000 0.458 538 F N 1.597 121.477 119.950 -0.117 0.000 2.365 538 F HA 0.020 4.547 4.527 -0.000 0.000 0.300 538 F C 2.043 177.939 175.800 0.159 0.000 1.090 538 F CA 1.069 59.089 58.000 0.034 0.000 1.408 538 F CB 0.010 39.142 39.000 0.220 0.000 1.060 538 F HN -0.096 nan 8.300 nan 0.000 0.534 539 A N -0.064 122.643 122.820 -0.188 0.000 2.081 539 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 539 A C 1.627 179.202 177.584 -0.015 0.000 1.158 539 A CA 0.852 52.738 52.037 -0.251 0.000 0.724 539 A CB -0.447 18.624 19.000 0.119 0.000 0.826 539 A HN 0.538 nan 8.150 nan 0.000 0.463 540 N N -0.758 117.963 118.700 0.036 0.000 2.170 540 N HA 0.260 5.000 4.740 -0.000 0.000 0.222 540 N C 0.336 175.850 175.510 0.007 0.000 1.218 540 N CA 0.606 53.735 53.050 0.131 0.000 0.889 540 N CB 0.751 39.289 38.487 0.084 0.000 1.083 540 N HN 0.412 nan 8.380 nan 0.000 0.520 541 A N 1.310 124.040 122.820 -0.150 0.000 2.511 541 A HA -0.179 4.141 4.320 -0.000 0.000 0.297 541 A C 0.266 177.660 177.584 -0.316 0.000 1.476 541 A CA 1.664 53.476 52.037 -0.374 0.000 0.757 541 A CB -1.841 16.581 19.000 -0.964 0.000 1.072 541 A HN 0.329 nan 8.150 nan 0.000 0.413 542 T N -1.418 112.956 114.554 -0.300 0.000 2.927 542 T HA 0.500 4.850 4.350 -0.000 0.000 0.350 542 T C -3.344 171.171 174.700 -0.309 0.000 1.746 542 T CA -0.588 61.284 62.100 -0.380 0.000 1.081 542 T CB 1.271 69.634 68.868 -0.841 0.000 1.551 542 T HN 0.013 nan 8.240 nan 0.000 0.489 543 P HA 0.145 nan 4.420 nan 0.000 0.258 543 P C 1.058 178.207 177.300 -0.251 0.000 1.172 543 P CA 0.292 63.264 63.100 -0.214 0.000 0.762 543 P CB 0.134 31.738 31.700 -0.160 0.000 0.764 544 L N 2.332 123.408 121.223 -0.245 0.000 2.549 544 L HA -0.152 4.187 4.340 -0.000 0.000 0.230 544 L C 1.923 178.657 176.870 -0.227 0.000 1.162 544 L CA 1.304 55.979 54.840 -0.276 0.000 0.834 544 L CB -0.996 40.872 42.059 -0.319 0.000 0.947 544 L HN 0.378 nan 8.230 nan 0.000 0.452 545 S N -1.788 113.803 115.700 -0.183 0.000 2.561 545 S HA -0.078 4.392 4.470 -0.000 0.000 0.225 545 S C 1.758 176.301 174.600 -0.095 0.000 0.977 545 S CA 0.863 58.986 58.200 -0.129 0.000 0.926 545 S CB -0.425 62.713 63.200 -0.103 0.000 0.769 545 S HN 0.601 nan 8.310 nan 0.000 0.533 546 T N -0.841 113.640 114.554 -0.121 0.000 2.978 546 T HA 0.382 4.732 4.350 -0.000 0.000 0.248 546 T C 0.533 175.237 174.700 0.007 0.000 1.018 546 T CA -0.491 61.580 62.100 -0.048 0.000 1.026 546 T CB -0.633 68.205 68.868 -0.049 0.000 1.032 546 T HN 0.273 nan 8.240 nan 0.000 0.485 547 L N 3.182 124.334 121.223 -0.118 0.000 2.559 547 L HA 0.167 4.507 4.340 -0.000 0.000 0.282 547 L C 0.879 177.827 176.870 0.129 0.000 1.232 547 L CA -0.267 54.592 54.840 0.033 0.000 0.885 547 L CB 0.333 42.346 42.059 -0.076 0.000 1.131 547 L HN 0.240 nan 8.230 nan 0.000 0.498 548 S N 2.233 118.093 115.700 0.267 0.000 2.533 548 S HA 0.055 4.525 4.470 -0.000 0.000 0.282 548 S C 0.832 175.599 174.600 0.280 0.000 1.304 548 S CA -0.765 57.584 58.200 0.249 0.000 1.063 548 S CB 0.692 64.085 63.200 0.322 0.000 0.881 548 S HN 0.511 nan 8.310 nan 0.000 0.493 549 L N 6.029 127.346 121.223 0.157 0.000 2.005 549 L HA 0.100 4.440 4.340 -0.000 0.000 0.207 549 L C 2.290 179.268 176.870 0.179 0.000 1.072 549 L CA 1.912 56.849 54.840 0.160 0.000 0.744 549 L CB -0.824 41.247 42.059 0.020 0.000 0.895 549 L HN 0.800 nan 8.230 nan 0.000 0.433 550 K N -1.772 118.637 120.400 0.016 0.000 2.147 550 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 550 K C 1.349 177.730 176.600 -0.366 0.000 1.049 550 K CA 1.477 57.624 56.287 -0.233 0.000 0.936 550 K CB -0.030 32.249 32.500 -0.368 0.000 0.722 550 K HN 0.601 nan 8.250 nan 0.000 0.446 551 H N -1.827 117.324 119.070 0.135 0.000 3.170 551 H HA -0.018 4.538 4.556 -0.000 0.000 0.264 551 H C 1.429 176.788 175.328 0.052 0.000 1.113 551 H CA 0.070 56.165 56.048 0.079 0.000 1.194 551 H CB -0.020 29.804 29.762 0.104 0.000 1.553 551 H HN 0.407 nan 8.280 nan 0.000 0.538 552 W N 3.330 124.729 121.300 0.166 0.000 2.336 552 W HA -0.155 4.505 4.660 -0.000 0.000 0.277 552 W C -0.259 176.334 176.519 0.123 0.000 1.211 552 W CA 1.465 58.898 57.345 0.147 0.000 1.187 552 W CB -0.366 29.152 29.460 0.098 0.000 1.132 552 W HN 0.192 nan 8.180 nan 0.000 0.562 553 D N 0.508 120.442 120.400 -0.776 0.000 2.620 553 D HA -0.041 4.599 4.640 -0.000 0.000 0.260 553 D C 1.649 177.702 176.300 -0.411 0.000 1.367 553 D CA 0.296 53.767 54.000 -0.881 0.000 0.805 553 D CB -0.692 39.081 40.800 -1.712 0.000 1.096 553 D HN 0.273 nan 8.370 nan 0.000 0.488 554 Q N 1.555 121.239 119.800 -0.193 0.000 2.152 554 Q HA -0.239 4.100 4.340 -0.000 0.000 0.206 554 Q C 1.176 177.155 176.000 -0.035 0.000 0.985 554 Q CA 2.187 57.953 55.803 -0.062 0.000 0.863 554 Q CB -0.862 27.915 28.738 0.066 0.000 0.904 554 Q HN 0.316 nan 8.270 nan 0.000 0.422 555 D N 0.039 120.395 120.400 -0.074 0.000 2.371 555 D HA -0.127 4.513 4.640 -0.000 0.000 0.234 555 D C 0.250 176.535 176.300 -0.024 0.000 1.049 555 D CA 0.672 54.659 54.000 -0.022 0.000 0.907 555 D CB -0.201 40.494 40.800 -0.175 0.000 0.891 555 D HN 0.313 nan 8.370 nan 0.000 0.531 556 D N 0.743 121.073 120.400 -0.117 0.000 2.178 556 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 556 D C 1.064 177.264 176.300 -0.167 0.000 0.974 556 D CA 0.940 54.849 54.000 -0.151 0.000 0.841 556 D CB 0.092 40.775 40.800 -0.195 0.000 0.953 556 D HN 0.113 nan 8.370 nan 0.000 0.478 557 D N -0.923 119.321 120.400 -0.260 0.000 2.219 557 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 557 D C 0.854 176.846 176.300 -0.514 0.000 0.970 557 D CA 0.635 54.365 54.000 -0.450 0.000 0.851 557 D CB -0.130 40.236 40.800 -0.724 0.000 0.943 557 D HN 0.320 nan 8.370 nan 0.000 0.488 558 F N 0.771 120.559 119.950 -0.270 0.000 2.692 558 F HA 0.189 4.716 4.527 -0.000 0.000 0.303 558 F C 1.013 176.562 175.800 -0.419 0.000 1.114 558 F CA -0.285 57.497 58.000 -0.363 0.000 1.361 558 F CB -0.234 38.369 39.000 -0.662 0.000 1.063 558 F HN -0.213 nan 8.300 nan 0.000 0.550 559 E N 0.799 120.885 120.200 -0.190 0.000 2.392 559 E HA 0.083 4.432 4.350 -0.000 0.000 0.264 559 E C -0.240 176.311 176.600 -0.083 0.000 1.024 559 E CA -0.459 55.808 56.400 -0.220 0.000 0.903 559 E CB 0.634 30.293 29.700 -0.068 0.000 0.963 559 E HN -0.053 nan 8.360 nan 0.000 0.432 560 F N 1.136 121.128 119.950 0.069 0.000 2.435 560 F HA 0.093 4.620 4.527 -0.000 0.000 0.316 560 F C 1.280 177.155 175.800 0.126 0.000 1.220 560 F CA -0.450 57.588 58.000 0.062 0.000 1.241 560 F CB 0.353 39.349 39.000 -0.007 0.000 1.234 560 F HN 0.340 nan 8.300 nan 0.000 0.569 561 T N -1.225 113.556 114.554 0.378 0.000 2.945 561 T HA 0.775 5.125 4.350 -0.000 0.000 0.286 561 T C -0.029 174.816 174.700 0.241 0.000 1.025 561 T CA -0.065 62.206 62.100 0.285 0.000 1.039 561 T CB 1.416 70.462 68.868 0.297 0.000 1.068 561 T HN 1.459 nan 8.240 nan 0.000 0.497 562 G N 1.070 109.984 108.800 0.190 0.000 2.592 562 G HA2 0.264 4.224 3.960 -0.000 0.000 0.684 562 G HA3 0.264 4.224 3.960 -0.000 0.000 0.684 562 G C -0.357 174.661 174.900 0.198 0.000 1.291 562 G CA -0.411 44.786 45.100 0.162 0.000 0.891 562 G HN 1.906 nan 8.290 nan 0.000 0.544 563 S N -0.642 115.164 115.700 0.176 0.000 2.509 563 S HA 0.696 5.166 4.470 -0.000 0.000 0.297 563 S C 0.263 175.043 174.600 0.301 0.000 1.118 563 S CA -0.488 57.833 58.200 0.202 0.000 1.074 563 S CB 1.060 64.332 63.200 0.120 0.000 1.038 563 S HN 0.839 nan 8.310 nan 0.000 0.498 564 H N 0.931 120.079 119.070 0.130 0.000 3.058 564 H HA 0.210 4.766 4.556 -0.000 0.000 0.347 564 H C -0.553 174.844 175.328 0.115 0.000 1.087 564 H CA 0.027 56.160 56.048 0.142 0.000 1.375 564 H CB 0.205 30.075 29.762 0.181 0.000 1.312 564 H HN 0.379 nan 8.280 nan 0.000 0.607 565 L N 0.622 121.958 121.223 0.189 0.000 2.322 565 L HA 0.404 4.744 4.340 -0.000 0.000 0.252 565 L C 0.072 176.978 176.870 0.060 0.000 1.055 565 L CA -0.687 54.216 54.840 0.105 0.000 0.849 565 L CB 2.271 44.359 42.059 0.049 0.000 1.446 565 L HN 0.765 nan 8.230 nan 0.000 0.416 566 T N -2.538 112.025 114.554 0.016 0.000 2.906 566 T HA 0.743 5.093 4.350 -0.000 0.000 0.295 566 T C -0.896 173.760 174.700 -0.073 0.000 1.075 566 T CA -0.794 61.279 62.100 -0.045 0.000 1.005 566 T CB 1.629 70.466 68.868 -0.053 0.000 1.136 566 T HN 0.222 nan 8.240 nan 0.000 0.498 567 V N 2.862 122.710 119.914 -0.110 0.000 2.368 567 V HA 0.363 4.482 4.120 -0.000 0.000 0.266 567 V C 1.640 177.795 176.094 0.102 0.000 1.045 567 V CA -0.524 61.734 62.300 -0.071 0.000 0.899 567 V CB 0.604 32.310 31.823 -0.196 0.000 1.006 567 V HN 0.975 nan 8.190 nan 0.000 0.470 568 R N 4.399 124.963 120.500 0.107 0.000 2.148 568 R HA -0.044 4.296 4.340 -0.000 0.000 0.223 568 R C 1.524 177.972 176.300 0.248 0.000 1.088 568 R CA 1.486 57.708 56.100 0.204 0.000 0.985 568 R CB 0.157 30.535 30.300 0.130 0.000 0.880 568 R HN 0.863 nan 8.270 nan 0.000 0.451 569 N N -0.520 118.266 118.700 0.145 0.000 2.238 569 N HA 0.136 4.876 4.740 -0.000 0.000 0.222 569 N C -0.493 175.066 175.510 0.083 0.000 1.133 569 N CA 0.587 53.695 53.050 0.097 0.000 0.854 569 N CB 0.820 39.346 38.487 0.065 0.000 1.041 569 N HN 0.212 nan 8.380 nan 0.000 0.510 570 G N 0.557 109.434 108.800 0.128 0.000 3.307 570 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.686 570 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.686 570 G C -0.216 174.796 174.900 0.187 0.000 0.983 570 G CA -0.403 44.776 45.100 0.133 0.000 0.804 570 G HN 0.091 nan 8.290 nan 0.000 0.531 571 Y N 2.371 122.725 120.300 0.089 0.000 2.315 571 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 571 Y C 3.078 179.011 175.900 0.056 0.000 1.154 571 Y CA 2.467 60.610 58.100 0.072 0.000 1.229 571 Y CB -0.410 38.092 38.460 0.071 0.000 0.980 571 Y HN 1.075 nan 8.280 nan 0.000 0.540 572 S N -0.603 115.230 115.700 0.222 0.000 2.387 572 S HA -0.280 4.189 4.470 -0.000 0.000 0.230 572 S C 2.371 177.029 174.600 0.096 0.000 1.035 572 S CA 1.425 59.694 58.200 0.115 0.000 1.014 572 S CB -1.846 61.405 63.200 0.085 0.000 0.836 572 S HN 0.659 nan 8.310 nan 0.000 0.466 573 C N 0.650 120.014 119.300 0.106 0.000 2.396 573 C HA -0.052 4.408 4.460 -0.000 0.000 0.288 573 C C 2.221 177.263 174.990 0.086 0.000 1.253 573 C CA 0.529 59.596 59.018 0.082 0.000 1.834 573 C CB -2.040 25.747 27.740 0.079 0.000 2.035 573 C HN 0.462 nan 8.230 nan 0.000 0.514 574 V N 1.511 121.499 119.914 0.123 0.000 2.426 574 V HA 0.029 4.149 4.120 -0.000 0.000 0.242 574 V C 0.380 176.501 176.094 0.045 0.000 1.036 574 V CA 1.958 64.323 62.300 0.108 0.000 1.044 574 V CB -1.297 30.637 31.823 0.186 0.000 0.688 574 V HN 0.290 nan 8.190 nan 0.000 0.462 575 P HA -0.089 nan 4.420 nan 0.000 0.214 575 P C 2.008 179.306 177.300 -0.002 0.000 1.162 575 P CA 1.296 64.391 63.100 -0.008 0.000 0.879 575 P CB -0.066 31.621 31.700 -0.022 0.000 0.786 576 V N 0.547 120.466 119.914 0.008 0.000 2.250 576 V HA -0.362 3.758 4.120 -0.000 0.000 0.253 576 V C 2.449 178.542 176.094 -0.002 0.000 1.065 576 V CA 2.565 64.866 62.300 0.002 0.000 1.039 576 V CB -1.803 30.025 31.823 0.009 0.000 0.647 576 V HN 0.126 nan 8.190 nan 0.000 0.446 577 A N -0.620 122.206 122.820 0.009 0.000 1.892 577 A HA -0.211 4.108 4.320 -0.000 0.000 0.218 577 A C 2.215 179.792 177.584 -0.011 0.000 1.188 577 A CA 2.206 54.246 52.037 0.004 0.000 0.631 577 A CB -0.578 18.435 19.000 0.022 0.000 0.822 577 A HN 0.532 nan 8.150 nan 0.000 0.447 578 L N -1.051 120.167 121.223 -0.009 0.000 2.093 578 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 578 L C 2.999 179.844 176.870 -0.043 0.000 1.085 578 L CA 0.938 55.764 54.840 -0.024 0.000 0.755 578 L CB -0.555 41.495 42.059 -0.015 0.000 0.904 578 L HN 0.449 nan 8.230 nan 0.000 0.435 579 A N -0.927 121.870 122.820 -0.037 0.000 2.125 579 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 579 A C 1.254 178.810 177.584 -0.047 0.000 1.156 579 A CA 0.611 52.621 52.037 -0.045 0.000 0.671 579 A CB -0.428 18.549 19.000 -0.038 0.000 0.794 579 A HN 0.327 nan 8.150 nan 0.000 0.459 580 E N -0.215 119.958 120.200 -0.045 0.000 2.257 580 E HA 0.335 4.685 4.350 -0.000 0.000 0.278 580 E C 0.949 177.516 176.600 -0.055 0.000 1.049 580 E CA 0.706 57.080 56.400 -0.044 0.000 0.876 580 E CB 0.185 29.862 29.700 -0.038 0.000 1.035 580 E HN 0.648 nan 8.360 nan 0.000 0.419 581 G N 3.919 112.690 108.800 -0.049 0.000 2.176 581 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.232 581 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.232 581 G C 0.101 174.969 174.900 -0.053 0.000 0.986 581 G CA 0.125 45.194 45.100 -0.052 0.000 0.643 581 G HN 0.437 nan 8.290 nan 0.000 0.522 582 L N 0.310 121.500 121.223 -0.054 0.000 2.330 582 L HA 0.583 4.923 4.340 -0.000 0.000 0.271 582 L C -0.480 176.358 176.870 -0.053 0.000 1.013 582 L CA -0.964 53.840 54.840 -0.059 0.000 0.816 582 L CB 1.614 43.631 42.059 -0.069 0.000 1.287 582 L HN 0.046 nan 8.230 nan 0.000 0.435 583 D N 2.176 122.544 120.400 -0.053 0.000 2.374 583 D HA 0.416 5.056 4.640 -0.000 0.000 0.240 583 D C -0.762 175.496 176.300 -0.069 0.000 1.229 583 D CA 0.219 54.190 54.000 -0.048 0.000 0.895 583 D CB 0.233 41.012 40.800 -0.035 0.000 1.046 583 D HN 0.237 nan 8.370 nan 0.000 0.498 584 I N 4.200 124.728 120.570 -0.070 0.000 2.439 584 I HA 0.200 4.370 4.170 -0.000 0.000 0.285 584 I C -0.086 175.969 176.117 -0.104 0.000 1.021 584 I CA -0.925 60.318 61.300 -0.095 0.000 1.091 584 I CB 1.543 39.491 38.000 -0.086 0.000 1.242 584 I HN -0.012 nan 8.210 nan 0.000 0.439 585 K N 7.771 128.084 120.400 -0.145 0.000 2.250 585 K HA 0.457 4.777 4.320 -0.000 0.000 0.280 585 K C -0.594 175.893 176.600 -0.188 0.000 1.098 585 K CA -0.455 55.736 56.287 -0.161 0.000 0.916 585 K CB 1.122 33.501 32.500 -0.202 0.000 1.209 585 K HN 0.512 nan 8.250 nan 0.000 0.461 586 L N 2.609 123.742 121.223 -0.150 0.000 2.395 586 L HA 0.140 4.480 4.340 -0.000 0.000 0.269 586 L C 0.646 177.414 176.870 -0.170 0.000 1.133 586 L CA -0.196 54.553 54.840 -0.151 0.000 0.812 586 L CB 0.274 42.271 42.059 -0.103 0.000 1.125 586 L HN 0.687 nan 8.230 nan 0.000 0.452 587 N N 0.994 119.580 118.700 -0.190 0.000 2.771 587 N HA -0.137 4.602 4.740 -0.000 0.000 0.249 587 N C -0.905 174.470 175.510 -0.226 0.000 1.069 587 N CA 0.817 53.759 53.050 -0.180 0.000 0.688 587 N CB -1.232 37.194 38.487 -0.102 0.000 0.928 587 N HN 0.704 nan 8.380 nan 0.000 0.551 588 T N -0.457 113.921 114.554 -0.293 0.000 3.089 588 T HA 0.536 4.886 4.350 -0.000 0.000 0.340 588 T C -0.014 174.506 174.700 -0.301 0.000 1.008 588 T CA -0.437 61.475 62.100 -0.314 0.000 1.096 588 T CB 1.509 70.159 68.868 -0.365 0.000 1.024 588 T HN 0.394 nan 8.240 nan 0.000 0.477 589 A N 3.254 125.935 122.820 -0.231 0.000 2.294 589 A HA 0.658 4.978 4.320 -0.000 0.000 0.316 589 A C 0.451 177.968 177.584 -0.110 0.000 1.359 589 A CA -0.529 51.365 52.037 -0.238 0.000 0.956 589 A CB 0.112 19.021 19.000 -0.152 0.000 1.155 589 A HN 0.695 nan 8.150 nan 0.000 0.544 590 V N 4.338 124.174 119.914 -0.130 0.000 2.599 590 V HA 0.057 4.177 4.120 -0.000 0.000 0.300 590 V C 1.217 177.284 176.094 -0.045 0.000 1.034 590 V CA 0.459 62.711 62.300 -0.082 0.000 1.115 590 V CB 0.519 32.276 31.823 -0.110 0.000 0.934 590 V HN 0.999 nan 8.190 nan 0.000 0.485 591 R N 2.487 122.967 120.500 -0.033 0.000 2.342 591 R HA 0.252 4.592 4.340 -0.000 0.000 0.204 591 R C 0.394 176.647 176.300 -0.078 0.000 0.882 591 R CA 0.093 56.177 56.100 -0.027 0.000 1.041 591 R CB 0.823 31.130 30.300 0.011 0.000 1.188 591 R HN 0.768 nan 8.270 nan 0.000 0.598 592 Q N 0.884 120.629 119.800 -0.092 0.000 2.268 592 Q HA 0.327 4.667 4.340 -0.000 0.000 0.266 592 Q C -1.779 174.139 176.000 -0.136 0.000 1.006 592 Q CA -0.370 55.354 55.803 -0.131 0.000 0.824 592 Q CB 2.737 31.439 28.738 -0.060 0.000 1.306 592 Q HN -0.139 nan 8.270 nan 0.000 0.424 593 V N 4.333 124.104 119.914 -0.238 0.000 2.370 593 V HA 0.589 4.709 4.120 -0.000 0.000 0.283 593 V C -0.529 175.623 176.094 0.097 0.000 1.023 593 V CA -0.623 61.635 62.300 -0.069 0.000 0.857 593 V CB 1.241 33.020 31.823 -0.074 0.000 0.985 593 V HN 0.708 nan 8.190 nan 0.000 0.443 594 R N 4.618 125.180 120.500 0.103 0.000 2.599 594 R HA 0.790 5.130 4.340 -0.000 0.000 0.295 594 R C -1.548 174.816 176.300 0.108 0.000 0.963 594 R CA -0.812 55.305 56.100 0.028 0.000 0.883 594 R CB 1.755 32.036 30.300 -0.033 0.000 1.171 594 R HN 0.768 nan 8.270 nan 0.000 0.450 595 Y N -1.455 118.883 120.300 0.064 0.000 2.470 595 Y HA 0.724 5.274 4.550 -0.000 0.000 0.341 595 Y C -0.782 175.149 175.900 0.051 0.000 1.021 595 Y CA -1.056 57.080 58.100 0.060 0.000 1.025 595 Y CB 2.018 40.518 38.460 0.066 0.000 1.266 595 Y HN 0.805 nan 8.280 nan 0.000 0.448 596 T N -1.284 113.326 114.554 0.094 0.000 2.816 596 T HA 0.662 5.012 4.350 -0.000 0.000 0.299 596 T C 0.874 175.631 174.700 0.095 0.000 1.230 596 T CA -0.474 61.649 62.100 0.038 0.000 1.007 596 T CB 1.381 70.249 68.868 -0.000 0.000 1.289 596 T HN 1.236 nan 8.240 nan 0.000 0.508 597 A N 1.448 124.310 122.820 0.071 0.000 1.929 597 A HA -0.146 4.174 4.320 -0.000 0.000 0.221 597 A C 2.328 179.965 177.584 0.088 0.000 1.211 597 A CA 3.082 55.165 52.037 0.077 0.000 0.657 597 A CB -1.567 17.464 19.000 0.052 0.000 0.827 597 A HN 1.526 nan 8.150 nan 0.000 0.462 598 S N -2.642 113.101 115.700 0.073 0.000 2.517 598 S HA 0.507 4.977 4.470 -0.000 0.000 0.214 598 S C 0.810 175.459 174.600 0.082 0.000 0.991 598 S CA 0.533 58.777 58.200 0.073 0.000 0.906 598 S CB 0.210 63.440 63.200 0.050 0.000 0.789 598 S HN 1.541 nan 8.310 nan 0.000 0.513 599 G N -0.441 108.412 108.800 0.089 0.000 2.340 599 G HA2 0.456 4.416 3.960 -0.000 0.000 0.299 599 G HA3 0.456 4.416 3.960 -0.000 0.000 0.299 599 G C -1.723 173.241 174.900 0.107 0.000 1.291 599 G CA -0.309 44.845 45.100 0.090 0.000 0.841 599 G HN 0.424 nan 8.290 nan 0.000 0.500 600 C N -0.162 119.199 119.300 0.101 0.000 2.707 600 C HA 0.895 5.355 4.460 -0.000 0.000 0.313 600 C C -0.440 174.603 174.990 0.088 0.000 1.209 600 C CA -0.924 58.167 59.018 0.121 0.000 1.635 600 C CB 1.190 29.022 27.740 0.153 0.000 2.206 600 C HN 0.966 nan 8.230 nan 0.000 0.485 601 E N 0.361 120.613 120.200 0.086 0.000 2.293 601 E HA 0.756 5.105 4.350 -0.000 0.000 0.270 601 E C -1.707 174.944 176.600 0.085 0.000 0.879 601 E CA -0.653 55.795 56.400 0.081 0.000 0.756 601 E CB 1.683 31.415 29.700 0.054 0.000 1.208 601 E HN 0.384 nan 8.360 nan 0.000 0.428 602 V N 2.854 122.837 119.914 0.114 0.000 2.495 602 V HA 0.468 4.587 4.120 -0.000 0.000 0.298 602 V C -0.289 175.896 176.094 0.152 0.000 1.031 602 V CA -0.804 61.555 62.300 0.098 0.000 0.871 602 V CB 1.161 33.028 31.823 0.073 0.000 0.988 602 V HN 0.653 nan 8.190 nan 0.000 0.432 603 I N 3.730 124.355 120.570 0.092 0.000 2.382 603 I HA 0.793 4.962 4.170 -0.000 0.000 0.286 603 I C 0.340 176.520 176.117 0.105 0.000 1.002 603 I CA -0.325 61.044 61.300 0.116 0.000 1.135 603 I CB 1.622 39.659 38.000 0.061 0.000 1.288 603 I HN 0.746 nan 8.210 nan 0.000 0.448 604 A N 5.939 128.869 122.820 0.183 0.000 2.346 604 A HA 0.957 5.277 4.320 -0.000 0.000 0.313 604 A C -0.378 177.313 177.584 0.179 0.000 1.140 604 A CA -0.584 51.523 52.037 0.116 0.000 0.826 604 A CB 1.789 20.817 19.000 0.046 0.000 1.332 604 A HN 0.608 nan 8.150 nan 0.000 0.457 605 V N -1.365 118.616 119.914 0.110 0.000 3.155 605 V HA 0.700 4.819 4.120 -0.000 0.000 0.313 605 V C -0.400 175.745 176.094 0.086 0.000 1.162 605 V CA -1.066 61.337 62.300 0.171 0.000 1.048 605 V CB 1.686 33.583 31.823 0.123 0.000 1.092 605 V HN 0.903 nan 8.190 nan 0.000 0.447 606 N N 0.479 119.267 118.700 0.146 0.000 2.434 606 N HA 0.360 5.100 4.740 -0.000 0.000 0.272 606 N C 1.118 176.662 175.510 0.056 0.000 1.040 606 N CA 0.382 53.472 53.050 0.068 0.000 0.956 606 N CB 1.647 40.230 38.487 0.159 0.000 1.108 606 N HN 0.918 nan 8.380 nan 0.000 0.481 607 T N 1.424 115.989 114.554 0.019 0.000 2.833 607 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 607 T C 1.585 176.329 174.700 0.074 0.000 1.054 607 T CA 1.125 63.265 62.100 0.066 0.000 1.135 607 T CB -0.101 68.808 68.868 0.067 0.000 0.869 607 T HN 0.461 nan 8.240 nan 0.000 0.466 608 R N 1.989 122.521 120.500 0.054 0.000 2.055 608 R HA 0.091 4.431 4.340 -0.000 0.000 0.228 608 R C 1.150 177.482 176.300 0.053 0.000 1.143 608 R CA 1.239 57.370 56.100 0.051 0.000 0.945 608 R CB -0.154 30.170 30.300 0.040 0.000 0.841 608 R HN 0.475 nan 8.270 nan 0.000 0.429 609 S N 0.028 115.764 115.700 0.060 0.000 2.520 609 S HA 0.132 4.602 4.470 -0.000 0.000 0.324 609 S C 0.595 175.238 174.600 0.072 0.000 1.069 609 S CA -0.646 57.589 58.200 0.058 0.000 1.121 609 S CB 1.647 64.876 63.200 0.049 0.000 0.971 609 S HN 0.323 nan 8.310 nan 0.000 0.463 610 T N -0.018 114.576 114.554 0.065 0.000 3.113 610 T HA -0.048 4.302 4.350 -0.000 0.000 0.256 610 T C 1.636 176.377 174.700 0.069 0.000 1.131 610 T CA 0.860 63.005 62.100 0.075 0.000 1.074 610 T CB -0.659 68.251 68.868 0.071 0.000 0.944 610 T HN 0.709 nan 8.240 nan 0.000 0.516 611 S N -0.089 115.642 115.700 0.053 0.000 2.522 611 S HA 0.072 4.542 4.470 -0.000 0.000 0.227 611 S C 1.082 175.705 174.600 0.039 0.000 0.986 611 S CA -0.197 58.026 58.200 0.038 0.000 0.929 611 S CB -0.405 62.809 63.200 0.023 0.000 0.769 611 S HN 0.552 nan 8.310 nan 0.000 0.529 612 Q N 2.117 121.956 119.800 0.065 0.000 2.349 612 Q HA 0.314 4.654 4.340 -0.000 0.000 0.254 612 Q C -1.073 174.992 176.000 0.108 0.000 0.980 612 Q CA 0.209 56.046 55.803 0.057 0.000 0.924 612 Q CB 0.848 29.638 28.738 0.087 0.000 1.209 612 Q HN 0.264 nan 8.270 nan 0.000 0.445 613 T N 3.842 118.368 114.554 -0.046 0.000 2.925 613 T HA 0.618 4.968 4.350 -0.000 0.000 0.285 613 T C -0.807 173.752 174.700 -0.234 0.000 1.021 613 T CA -0.189 61.915 62.100 0.006 0.000 1.042 613 T CB 0.506 69.367 68.868 -0.011 0.000 1.037 613 T HN 0.333 nan 8.240 nan 0.000 0.481 614 F N 1.764 121.707 119.950 -0.013 0.000 2.565 614 F HA 0.631 5.158 4.527 -0.000 0.000 0.313 614 F C -0.396 175.358 175.800 -0.076 0.000 1.091 614 F CA -1.156 56.805 58.000 -0.064 0.000 0.915 614 F CB 1.642 40.675 39.000 0.056 0.000 1.208 614 F HN 0.157 nan 8.300 nan 0.000 0.453 615 I N 3.073 123.585 120.570 -0.096 0.000 2.499 615 I HA 0.322 4.491 4.170 -0.000 0.000 0.288 615 I C -1.364 174.596 176.117 -0.261 0.000 1.048 615 I CA -1.054 60.206 61.300 -0.066 0.000 1.062 615 I CB 1.809 39.763 38.000 -0.077 0.000 1.238 615 I HN 0.510 nan 8.210 nan 0.000 0.426 616 Y N 4.661 124.990 120.300 0.048 0.000 2.376 616 Y HA 0.441 4.991 4.550 -0.000 0.000 0.340 616 Y C 0.237 176.146 175.900 0.014 0.000 0.965 616 Y CA -0.855 57.263 58.100 0.030 0.000 1.078 616 Y CB 1.935 40.406 38.460 0.019 0.000 1.193 616 Y HN 0.259 nan 8.280 nan 0.000 0.452 617 K N 3.374 123.852 120.400 0.129 0.000 2.182 617 K HA 0.768 5.087 4.320 -0.000 0.000 0.262 617 K C -0.636 176.004 176.600 0.067 0.000 0.957 617 K CA -0.361 55.973 56.287 0.077 0.000 0.842 617 K CB 1.677 34.199 32.500 0.037 0.000 1.099 617 K HN 0.913 nan 8.250 nan 0.000 0.438 618 C N -1.318 118.007 119.300 0.043 0.000 3.320 618 C HA 0.398 4.858 4.460 -0.000 0.000 0.335 618 C C 0.837 175.813 174.990 -0.022 0.000 1.430 618 C CA -0.815 58.202 59.018 -0.002 0.000 1.271 618 C CB 0.954 28.686 27.740 -0.014 0.000 1.609 618 C HN 0.844 nan 8.230 nan 0.000 0.457 619 D N 0.907 121.243 120.400 -0.106 0.000 2.183 619 D HA 0.260 4.900 4.640 -0.000 0.000 0.205 619 D C 0.763 176.980 176.300 -0.138 0.000 0.962 619 D CA 1.853 55.758 54.000 -0.159 0.000 0.849 619 D CB 0.390 40.962 40.800 -0.382 0.000 0.978 619 D HN 0.959 nan 8.370 nan 0.000 0.488 620 A N 0.488 123.202 122.820 -0.176 0.000 2.515 620 A HA 0.531 4.851 4.320 -0.000 0.000 0.298 620 A C -1.022 176.566 177.584 0.007 0.000 1.059 620 A CA -0.571 51.466 52.037 0.000 0.000 0.698 620 A CB 2.111 21.099 19.000 -0.019 0.000 1.289 620 A HN -0.086 nan 8.150 nan 0.000 0.404 621 V N 2.017 121.983 119.914 0.088 0.000 2.384 621 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 621 V C -0.645 175.466 176.094 0.027 0.000 1.020 621 V CA -0.484 61.830 62.300 0.024 0.000 0.850 621 V CB 1.162 32.997 31.823 0.020 0.000 0.987 621 V HN 0.802 nan 8.190 nan 0.000 0.436 622 L N 5.998 127.203 121.223 -0.032 0.000 2.282 622 L HA 0.627 4.967 4.340 -0.000 0.000 0.288 622 L C -0.291 176.552 176.870 -0.044 0.000 1.033 622 L CA 0.021 54.837 54.840 -0.040 0.000 0.807 622 L CB 1.065 43.082 42.059 -0.070 0.000 1.209 622 L HN 0.852 nan 8.230 nan 0.000 0.423 623 C N 4.315 123.580 119.300 -0.058 0.000 2.251 623 C HA 0.616 5.076 4.460 -0.000 0.000 0.323 623 C C 1.172 176.259 174.990 0.162 0.000 1.241 623 C CA 0.161 59.207 59.018 0.047 0.000 1.601 623 C CB -0.340 27.425 27.740 0.042 0.000 2.251 623 C HN 0.970 nan 8.230 nan 0.000 0.488 624 T N 4.533 119.160 114.554 0.121 0.000 3.269 624 T HA 0.306 4.656 4.350 -0.000 0.000 0.269 624 T C 0.103 174.906 174.700 0.172 0.000 0.993 624 T CA -0.311 61.874 62.100 0.143 0.000 0.909 624 T CB -0.545 68.360 68.868 0.062 0.000 1.115 624 T HN 0.666 nan 8.240 nan 0.000 0.543 625 L N 2.131 123.472 121.223 0.195 0.000 2.453 625 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 625 L C -1.992 174.930 176.870 0.087 0.000 1.182 625 L CA -2.037 52.883 54.840 0.133 0.000 0.858 625 L CB 0.121 42.261 42.059 0.135 0.000 1.120 625 L HN 0.091 nan 8.230 nan 0.000 0.474 626 P HA -0.118 nan 4.420 nan 0.000 0.267 626 P C 0.418 177.364 177.300 -0.590 0.000 1.201 626 P CA -0.142 62.835 63.100 -0.205 0.000 0.775 626 P CB 0.562 32.196 31.700 -0.111 0.000 0.854 627 L N 3.853 124.439 121.223 -1.061 0.000 2.056 627 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 627 L C 2.205 178.504 176.870 -0.951 0.000 1.078 627 L CA 2.521 56.706 54.840 -1.092 0.000 0.749 627 L CB -1.634 39.856 42.059 -0.948 0.000 0.901 627 L HN 0.504 nan 8.230 nan 0.000 0.433 628 G N -0.463 107.420 108.800 -1.528 0.000 2.529 628 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.219 628 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.219 628 G C 1.522 176.225 174.900 -0.328 0.000 1.177 628 G CA 1.640 46.292 45.100 -0.747 0.000 0.773 628 G HN 0.359 nan 8.290 nan 0.000 0.573 629 V N 1.278 121.029 119.914 -0.272 0.000 2.252 629 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 629 V C 2.879 178.909 176.094 -0.107 0.000 1.056 629 V CA 1.877 64.114 62.300 -0.107 0.000 1.022 629 V CB -0.658 31.154 31.823 -0.018 0.000 0.641 629 V HN 0.379 nan 8.190 nan 0.000 0.445 630 L N -0.644 120.475 121.223 -0.173 0.000 2.450 630 L HA -0.154 4.186 4.340 -0.000 0.000 0.224 630 L C 2.319 179.113 176.870 -0.127 0.000 1.149 630 L CA 1.321 56.095 54.840 -0.111 0.000 0.816 630 L CB -0.597 41.349 42.059 -0.187 0.000 0.932 630 L HN 0.345 nan 8.230 nan 0.000 0.449 631 K N -0.701 119.599 120.400 -0.166 0.000 2.356 631 K HA 0.035 4.355 4.320 -0.000 0.000 0.195 631 K C 0.738 177.294 176.600 -0.074 0.000 1.037 631 K CA -0.079 56.129 56.287 -0.131 0.000 1.014 631 K CB 0.208 32.620 32.500 -0.147 0.000 0.815 631 K HN 0.281 nan 8.250 nan 0.000 0.507 632 Q N 1.375 121.140 119.800 -0.059 0.000 2.315 632 Q HA -0.052 4.288 4.340 -0.000 0.000 0.289 632 Q C -0.673 175.313 176.000 -0.023 0.000 1.044 632 Q CA 0.826 56.608 55.803 -0.035 0.000 0.920 632 Q CB 0.634 29.356 28.738 -0.026 0.000 1.214 632 Q HN -0.069 nan 8.270 nan 0.000 0.392 633 Q N 3.356 123.144 119.800 -0.021 0.000 2.310 633 Q HA 0.436 4.775 4.340 -0.000 0.000 0.270 633 Q C -2.292 173.699 176.000 -0.015 0.000 1.025 633 Q CA -1.476 54.317 55.803 -0.016 0.000 0.772 633 Q CB 1.583 30.311 28.738 -0.017 0.000 1.253 633 Q HN 0.419 nan 8.270 nan 0.000 0.450 634 P HA 0.576 nan 4.420 nan 0.000 0.284 634 P C -2.701 174.599 177.300 -0.001 0.000 1.287 634 P CA -1.946 61.151 63.100 -0.005 0.000 0.824 634 P CB 0.035 31.733 31.700 -0.003 0.000 1.180 635 P HA 0.074 nan 4.420 nan 0.000 0.264 635 P C 0.175 177.485 177.300 0.016 0.000 1.193 635 P CA 0.191 63.303 63.100 0.020 0.000 0.763 635 P CB 0.277 32.002 31.700 0.041 0.000 0.810 636 A N 3.396 126.229 122.820 0.021 0.000 2.016 636 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 636 A C 0.741 178.342 177.584 0.028 0.000 1.162 636 A CA 1.127 53.184 52.037 0.034 0.000 0.662 636 A CB -0.052 18.981 19.000 0.055 0.000 0.812 636 A HN 0.428 nan 8.150 nan 0.000 0.450 637 V N 0.426 120.340 119.914 -0.001 0.000 2.604 637 V HA 0.341 4.461 4.120 -0.000 0.000 0.305 637 V C -0.511 175.501 176.094 -0.136 0.000 1.043 637 V CA -0.702 61.536 62.300 -0.104 0.000 0.888 637 V CB 1.751 33.466 31.823 -0.179 0.000 0.995 637 V HN 0.519 nan 8.190 nan 0.000 0.429 638 Q N 2.914 122.599 119.800 -0.190 0.000 2.293 638 Q HA 0.540 4.880 4.340 -0.000 0.000 0.261 638 Q C -1.778 174.091 176.000 -0.218 0.000 0.960 638 Q CA -0.514 55.229 55.803 -0.099 0.000 0.882 638 Q CB 1.600 30.311 28.738 -0.045 0.000 1.275 638 Q HN 0.626 nan 8.270 nan 0.000 0.445 639 F N 2.143 122.131 119.950 0.062 0.000 2.408 639 F HA 0.373 4.900 4.527 -0.000 0.000 0.344 639 F C -0.007 175.827 175.800 0.058 0.000 1.112 639 F CA -0.607 57.460 58.000 0.112 0.000 1.096 639 F CB 1.536 40.635 39.000 0.164 0.000 1.129 639 F HN 0.173 nan 8.300 nan 0.000 0.486 640 V N 5.791 125.809 119.914 0.174 0.000 2.357 640 V HA 0.326 4.445 4.120 -0.000 0.000 0.281 640 V C -2.125 173.733 176.094 -0.395 0.000 1.015 640 V CA -1.709 60.563 62.300 -0.047 0.000 0.827 640 V CB 1.338 33.129 31.823 -0.053 0.000 1.018 640 V HN 0.509 nan 8.190 nan 0.000 0.432 641 P HA 0.403 nan 4.420 nan 0.000 0.277 641 P C -2.833 174.515 177.300 0.079 0.000 1.271 641 P CA -2.100 60.931 63.100 -0.114 0.000 0.795 641 P CB 0.121 31.756 31.700 -0.108 0.000 1.101 642 P HA 0.093 nan 4.420 nan 0.000 0.268 642 P C -0.146 177.192 177.300 0.064 0.000 1.208 642 P CA 0.223 63.382 63.100 0.099 0.000 0.777 642 P CB 0.162 31.884 31.700 0.036 0.000 0.875 643 L N 4.168 125.370 121.223 -0.036 0.000 2.453 643 L HA 0.160 4.500 4.340 -0.000 0.000 0.272 643 L C -1.477 175.232 176.870 -0.269 0.000 1.182 643 L CA -1.606 53.096 54.840 -0.230 0.000 0.858 643 L CB -0.378 41.416 42.059 -0.442 0.000 1.120 643 L HN 0.314 nan 8.230 nan 0.000 0.474 644 P HA -0.074 nan 4.420 nan 0.000 0.269 644 P C 0.061 177.081 177.300 -0.466 0.000 1.211 644 P CA -0.181 62.699 63.100 -0.368 0.000 0.781 644 P CB 0.617 32.002 31.700 -0.525 0.000 0.877 645 E N 3.255 123.319 120.200 -0.225 0.000 2.072 645 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 645 E C 1.971 178.481 176.600 -0.150 0.000 0.985 645 E CA 1.394 57.706 56.400 -0.147 0.000 0.801 645 E CB -1.217 28.464 29.700 -0.033 0.000 0.750 645 E HN 0.647 nan 8.360 nan 0.000 0.452 646 W N 1.549 122.816 121.300 -0.056 0.000 2.331 646 W HA -0.210 4.450 4.660 -0.000 0.000 0.291 646 W C 1.664 178.125 176.519 -0.097 0.000 1.214 646 W CA 1.427 58.732 57.345 -0.067 0.000 1.228 646 W CB -0.823 28.602 29.460 -0.057 0.000 1.135 646 W HN 0.201 nan 8.180 nan 0.000 0.537 647 K N 1.910 121.806 120.400 -0.841 0.000 2.167 647 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 647 K C 2.297 178.636 176.600 -0.435 0.000 1.052 647 K CA 2.512 58.335 56.287 -0.773 0.000 0.956 647 K CB -0.617 31.129 32.500 -1.256 0.000 0.735 647 K HN 0.163 nan 8.250 nan 0.000 0.451 648 T N -2.421 111.914 114.554 -0.364 0.000 2.851 648 T HA 0.016 4.366 4.350 -0.000 0.000 0.262 648 T C 2.016 176.614 174.700 -0.169 0.000 1.043 648 T CA 1.177 63.128 62.100 -0.249 0.000 1.140 648 T CB -0.440 68.309 68.868 -0.199 0.000 0.872 648 T HN 0.063 nan 8.240 nan 0.000 0.446 649 S N 2.231 117.857 115.700 -0.122 0.000 2.374 649 S HA -0.033 4.437 4.470 -0.000 0.000 0.227 649 S C 2.575 177.124 174.600 -0.085 0.000 1.037 649 S CA 1.182 59.338 58.200 -0.074 0.000 1.024 649 S CB -0.857 62.328 63.200 -0.024 0.000 0.861 649 S HN 0.767 nan 8.310 nan 0.000 0.456 650 A N 0.867 123.631 122.820 -0.094 0.000 1.969 650 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 650 A C 2.283 179.763 177.584 -0.173 0.000 1.169 650 A CA 1.268 53.237 52.037 -0.113 0.000 0.635 650 A CB -0.640 18.308 19.000 -0.087 0.000 0.810 650 A HN 0.367 nan 8.150 nan 0.000 0.445 651 V N -0.678 119.117 119.914 -0.199 0.000 2.323 651 V HA -0.268 3.852 4.120 -0.000 0.000 0.244 651 V C 2.590 178.579 176.094 -0.174 0.000 1.041 651 V CA 2.115 64.284 62.300 -0.218 0.000 1.025 651 V CB -0.950 30.728 31.823 -0.242 0.000 0.656 651 V HN 0.560 nan 8.190 nan 0.000 0.451 652 Q N 0.162 119.881 119.800 -0.135 0.000 2.029 652 Q HA -0.244 4.096 4.340 -0.000 0.000 0.209 652 Q C 2.467 178.407 176.000 -0.100 0.000 0.999 652 Q CA 2.313 58.055 55.803 -0.101 0.000 0.857 652 Q CB -0.306 28.387 28.738 -0.076 0.000 0.926 652 Q HN 0.501 nan 8.270 nan 0.000 0.415 653 R N -0.774 119.666 120.500 -0.100 0.000 2.092 653 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 653 R C 0.698 176.927 176.300 -0.118 0.000 1.119 653 R CA 0.536 56.585 56.100 -0.085 0.000 0.970 653 R CB -0.195 30.063 30.300 -0.069 0.000 0.864 653 R HN 0.318 nan 8.270 nan 0.000 0.440 654 M N -0.106 119.388 119.600 -0.177 0.000 2.207 654 M HA 0.082 4.562 4.480 -0.000 0.000 0.311 654 M C 0.659 176.779 176.300 -0.300 0.000 1.127 654 M CA 0.293 55.441 55.300 -0.252 0.000 1.181 654 M CB 0.611 33.013 32.600 -0.330 0.000 1.409 654 M HN 0.092 nan 8.290 nan 0.000 0.461 655 G N 1.226 109.722 108.800 -0.507 0.000 2.417 655 G HA2 0.586 4.546 3.960 -0.000 0.000 0.320 655 G HA3 0.586 4.546 3.960 -0.000 0.000 0.320 655 G C -1.867 172.616 174.900 -0.696 0.000 1.204 655 G CA -0.322 44.194 45.100 -0.972 0.000 0.923 655 G HN 0.493 nan 8.290 nan 0.000 0.466 656 F N 2.985 122.659 119.950 -0.458 0.000 2.411 656 F HA 0.676 5.203 4.527 -0.000 0.000 0.352 656 F C 0.691 176.491 175.800 -0.001 0.000 1.123 656 F CA -0.693 57.188 58.000 -0.199 0.000 1.044 656 F CB 1.647 40.563 39.000 -0.141 0.000 1.135 656 F HN 0.599 nan 8.300 nan 0.000 0.461 657 G N 3.224 111.866 108.800 -0.263 0.000 2.641 657 G HA2 0.350 4.310 3.960 -0.000 0.000 0.239 657 G HA3 0.350 4.310 3.960 -0.000 0.000 0.239 657 G C -1.355 173.288 174.900 -0.428 0.000 1.402 657 G CA -0.524 44.504 45.100 -0.120 0.000 1.046 657 G HN 0.595 nan 8.290 nan 0.000 0.565 658 N N -1.988 116.484 118.700 -0.381 0.000 2.516 658 N HA 0.485 5.225 4.740 -0.000 0.000 0.268 658 N C -1.696 173.656 175.510 -0.262 0.000 1.096 658 N CA -0.588 52.284 53.050 -0.297 0.000 0.954 658 N CB 1.797 40.210 38.487 -0.123 0.000 1.676 658 N HN 0.842 nan 8.380 nan 0.000 0.490 659 L N 1.572 122.678 121.223 -0.194 0.000 2.545 659 L HA 0.726 5.066 4.340 -0.000 0.000 0.258 659 L C -1.871 175.059 176.870 0.099 0.000 0.942 659 L CA -0.504 54.305 54.840 -0.052 0.000 0.855 659 L CB 2.112 44.129 42.059 -0.070 0.000 1.374 659 L HN 0.452 nan 8.230 nan 0.000 0.411 660 N N 2.411 121.200 118.700 0.149 0.000 2.240 660 N HA 0.539 5.279 4.740 -0.000 0.000 0.302 660 N C -1.458 174.130 175.510 0.130 0.000 1.106 660 N CA -0.717 52.453 53.050 0.199 0.000 0.778 660 N CB 2.744 41.301 38.487 0.116 0.000 1.431 660 N HN 0.650 nan 8.380 nan 0.000 0.479 661 K N 0.482 120.951 120.400 0.114 0.000 2.156 661 K HA 0.637 4.957 4.320 -0.000 0.000 0.250 661 K C -0.779 175.787 176.600 -0.056 0.000 0.955 661 K CA -0.773 55.525 56.287 0.018 0.000 0.855 661 K CB 1.953 34.468 32.500 0.025 0.000 1.101 661 K HN 0.146 nan 8.250 nan 0.000 0.434 662 V N 2.410 122.255 119.914 -0.115 0.000 2.487 662 V HA 0.284 4.404 4.120 -0.000 0.000 0.298 662 V C -0.628 175.358 176.094 -0.180 0.000 1.028 662 V CA -0.994 61.217 62.300 -0.149 0.000 0.860 662 V CB 1.714 33.450 31.823 -0.145 0.000 0.991 662 V HN 0.447 nan 8.190 nan 0.000 0.427 663 V N 6.343 126.128 119.914 -0.216 0.000 2.370 663 V HA 0.506 4.626 4.120 -0.000 0.000 0.283 663 V C -0.260 175.647 176.094 -0.312 0.000 1.023 663 V CA -0.465 61.682 62.300 -0.255 0.000 0.857 663 V CB 1.298 32.929 31.823 -0.321 0.000 0.985 663 V HN 0.642 nan 8.190 nan 0.000 0.443 664 L N 4.537 125.551 121.223 -0.349 0.000 2.305 664 L HA 0.568 4.908 4.340 -0.000 0.000 0.284 664 L C -0.717 175.663 176.870 -0.816 0.000 1.013 664 L CA -0.202 54.307 54.840 -0.550 0.000 0.819 664 L CB 1.705 43.490 42.059 -0.457 0.000 1.227 664 L HN 0.600 nan 8.230 nan 0.000 0.417 665 C N 3.609 122.368 119.300 -0.903 0.000 2.301 665 C HA 0.684 5.144 4.460 -0.000 0.000 0.323 665 C C -0.177 174.446 174.990 -0.611 0.000 1.265 665 C CA -0.708 57.756 59.018 -0.923 0.000 1.503 665 C CB -0.116 26.898 27.740 -1.210 0.000 2.195 665 C HN 0.454 nan 8.230 nan 0.000 0.477 666 F N 1.828 121.801 119.950 0.039 0.000 2.594 666 F HA 0.399 4.926 4.527 -0.000 0.000 0.335 666 F C 1.521 177.481 175.800 0.266 0.000 1.058 666 F CA -1.170 56.957 58.000 0.213 0.000 0.981 666 F CB 0.936 40.139 39.000 0.338 0.000 1.289 666 F HN 0.555 nan 8.300 nan 0.000 0.490 667 D N -0.027 120.644 120.400 0.452 0.000 2.347 667 D HA -0.018 4.622 4.640 -0.000 0.000 0.213 667 D C 0.053 176.481 176.300 0.214 0.000 0.985 667 D CA 0.468 54.645 54.000 0.294 0.000 0.879 667 D CB 0.423 41.349 40.800 0.210 0.000 0.919 667 D HN 0.564 nan 8.370 nan 0.000 0.526 668 R N -0.108 120.520 120.500 0.213 0.000 2.594 668 R HA 0.398 4.738 4.340 -0.000 0.000 0.265 668 R C -1.103 175.100 176.300 -0.161 0.000 1.070 668 R CA -0.848 55.282 56.100 0.050 0.000 0.909 668 R CB 1.076 31.388 30.300 0.020 0.000 1.243 668 R HN -0.204 nan 8.270 nan 0.000 0.455 669 V N 3.460 123.130 119.914 -0.407 0.000 2.557 669 V HA 0.015 4.135 4.120 -0.000 0.000 0.301 669 V C 0.553 176.134 176.094 -0.856 0.000 1.026 669 V CA 0.463 62.112 62.300 -1.085 0.000 1.137 669 V CB -0.720 30.670 31.823 -0.720 0.000 0.917 669 V HN 0.844 nan 8.190 nan 0.000 0.484 670 F N 2.419 121.648 119.950 -1.203 0.000 2.915 670 F HA 0.436 4.963 4.527 -0.000 0.000 0.347 670 F C 0.128 175.623 175.800 -0.509 0.000 1.104 670 F CA -1.591 56.049 58.000 -0.601 0.000 1.126 670 F CB -0.785 37.966 39.000 -0.415 0.000 1.145 670 F HN 0.446 nan 8.300 nan 0.000 0.541 671 W N 0.861 121.816 121.300 -0.575 0.000 2.260 671 W HA 0.536 5.195 4.660 -0.000 0.000 0.366 671 W C 0.078 176.596 176.519 -0.001 0.000 1.315 671 W CA -1.206 55.865 57.345 -0.456 0.000 1.458 671 W CB -0.043 29.145 29.460 -0.453 0.000 1.255 671 W HN -0.156 nan 8.180 nan 0.000 0.671 672 D N 1.631 122.270 120.400 0.399 0.000 2.346 672 D HA 0.093 4.733 4.640 -0.000 0.000 0.267 672 D C -1.379 175.076 176.300 0.259 0.000 1.320 672 D CA -1.837 52.316 54.000 0.256 0.000 0.951 672 D CB 1.024 41.971 40.800 0.245 0.000 1.079 672 D HN 0.018 nan 8.370 nan 0.000 0.509 673 P HA -0.138 nan 4.420 nan 0.000 0.219 673 P C 1.063 178.453 177.300 0.150 0.000 1.146 673 P CA 1.061 64.229 63.100 0.114 0.000 0.808 673 P CB 0.148 31.852 31.700 0.007 0.000 0.779 674 S N -2.489 113.285 115.700 0.124 0.000 2.603 674 S HA 0.084 4.554 4.470 -0.000 0.000 0.220 674 S C 0.652 175.325 174.600 0.122 0.000 0.967 674 S CA -0.152 58.111 58.200 0.106 0.000 0.920 674 S CB -0.700 62.545 63.200 0.076 0.000 0.773 674 S HN -0.139 nan 8.310 nan 0.000 0.529 675 V N 2.434 122.453 119.914 0.175 0.000 2.427 675 V HA 0.326 4.446 4.120 -0.000 0.000 0.286 675 V C 0.549 176.740 176.094 0.163 0.000 1.034 675 V CA -0.681 61.723 62.300 0.173 0.000 0.893 675 V CB 1.412 33.370 31.823 0.224 0.000 0.982 675 V HN 0.381 nan 8.190 nan 0.000 0.452 676 N N 3.355 122.099 118.700 0.074 0.000 2.336 676 N HA 0.219 4.959 4.740 -0.000 0.000 0.177 676 N C -0.169 175.268 175.510 -0.121 0.000 1.018 676 N CA 0.453 53.510 53.050 0.011 0.000 0.878 676 N CB 0.294 38.782 38.487 0.002 0.000 0.997 676 N HN 0.637 nan 8.380 nan 0.000 0.433 677 L N -1.277 119.846 121.223 -0.166 0.000 2.516 677 L HA 0.568 4.907 4.340 -0.000 0.000 0.267 677 L C -1.463 175.308 176.870 -0.165 0.000 0.957 677 L CA -1.273 53.323 54.840 -0.407 0.000 0.860 677 L CB 0.901 42.480 42.059 -0.800 0.000 1.265 677 L HN -0.146 nan 8.230 nan 0.000 0.403 678 F N 0.131 120.000 119.950 -0.136 0.000 2.522 678 F HA 1.018 5.545 4.527 -0.000 0.000 0.324 678 F C 0.392 176.181 175.800 -0.019 0.000 1.077 678 F CA -0.851 57.111 58.000 -0.062 0.000 0.944 678 F CB 1.604 40.566 39.000 -0.064 0.000 1.175 678 F HN 0.619 nan 8.300 nan 0.000 0.468 679 G N 0.457 109.405 108.800 0.245 0.000 2.461 679 G HA2 0.421 4.380 3.960 -0.000 0.000 0.329 679 G HA3 0.421 4.380 3.960 -0.000 0.000 0.329 679 G C -1.971 173.153 174.900 0.373 0.000 1.170 679 G CA -0.600 44.681 45.100 0.303 0.000 0.935 679 G HN 1.041 nan 8.290 nan 0.000 0.492 680 H N 0.111 119.420 119.070 0.399 0.000 2.538 680 H HA 0.498 5.054 4.556 -0.000 0.000 0.353 680 H C -1.323 174.238 175.328 0.388 0.000 1.109 680 H CA -0.567 55.678 56.048 0.329 0.000 1.192 680 H CB 2.023 32.015 29.762 0.384 0.000 1.555 680 H HN 0.218 nan 8.280 nan 0.000 0.518 681 V N 4.891 124.596 119.914 -0.349 0.000 2.350 681 V HA 0.345 4.465 4.120 -0.000 0.000 0.276 681 V C 1.292 177.232 176.094 -0.258 0.000 1.028 681 V CA -0.263 61.966 62.300 -0.119 0.000 0.860 681 V CB 0.891 32.637 31.823 -0.129 0.000 0.990 681 V HN 0.894 nan 8.190 nan 0.000 0.453 682 G N 3.149 112.034 108.800 0.142 0.000 2.616 682 G HA2 0.354 4.314 3.960 -0.000 0.000 0.268 682 G HA3 0.354 4.314 3.960 -0.000 0.000 0.268 682 G C 0.814 175.796 174.900 0.136 0.000 1.213 682 G CA -0.023 45.226 45.100 0.247 0.000 0.926 682 G HN 0.647 nan 8.290 nan 0.000 0.523 683 S N -1.166 114.622 115.700 0.146 0.000 2.441 683 S HA 0.122 4.592 4.470 -0.000 0.000 0.224 683 S C 1.026 175.680 174.600 0.091 0.000 1.043 683 S CA 0.713 58.973 58.200 0.100 0.000 0.948 683 S CB 0.195 63.455 63.200 0.098 0.000 0.810 683 S HN 0.708 nan 8.310 nan 0.000 0.504 684 T N 0.576 115.189 114.554 0.099 0.000 2.942 684 T HA 0.322 4.672 4.350 -0.000 0.000 0.289 684 T C 1.029 175.784 174.700 0.091 0.000 1.044 684 T CA -0.574 61.576 62.100 0.083 0.000 1.023 684 T CB 1.434 70.343 68.868 0.069 0.000 1.123 684 T HN -0.115 nan 8.240 nan 0.000 0.512 685 T N 1.849 116.452 114.554 0.082 0.000 2.665 685 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 685 T C 2.325 177.058 174.700 0.054 0.000 1.035 685 T CA 1.779 63.927 62.100 0.080 0.000 1.151 685 T CB -0.673 68.234 68.868 0.066 0.000 0.862 685 T HN 0.730 nan 8.240 nan 0.000 0.438 686 A N 1.303 124.149 122.820 0.043 0.000 1.986 686 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 686 A C 2.141 179.742 177.584 0.029 0.000 1.171 686 A CA 2.005 54.058 52.037 0.027 0.000 0.640 686 A CB -0.467 18.549 19.000 0.027 0.000 0.811 686 A HN 0.601 nan 8.150 nan 0.000 0.451 687 S N -0.819 114.914 115.700 0.054 0.000 2.624 687 S HA 0.198 4.667 4.470 -0.000 0.000 0.246 687 S C 1.198 175.851 174.600 0.088 0.000 1.072 687 S CA 0.043 58.282 58.200 0.065 0.000 1.045 687 S CB -0.139 63.114 63.200 0.088 0.000 0.851 687 S HN 0.708 nan 8.310 nan 0.000 0.480 688 R N 0.752 121.288 120.500 0.059 0.000 2.105 688 R HA -0.007 4.333 4.340 -0.000 0.000 0.239 688 R C 2.010 178.302 176.300 -0.014 0.000 1.135 688 R CA 1.704 57.842 56.100 0.063 0.000 0.967 688 R CB -1.285 29.042 30.300 0.045 0.000 0.861 688 R HN 0.421 nan 8.270 nan 0.000 0.442 689 G N 1.201 109.940 108.800 -0.102 0.000 2.448 689 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 689 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 689 G C 0.296 175.215 174.900 0.031 0.000 1.135 689 G CA -0.217 44.760 45.100 -0.205 0.000 0.784 689 G HN 0.410 nan 8.290 nan 0.000 0.543 690 E N 0.383 120.636 120.200 0.090 0.000 2.491 690 E HA 0.181 4.530 4.350 -0.000 0.000 0.250 690 E C 0.219 176.915 176.600 0.160 0.000 1.061 690 E CA -0.392 56.073 56.400 0.108 0.000 0.942 690 E CB -0.098 29.659 29.700 0.095 0.000 0.957 690 E HN 0.190 nan 8.360 nan 0.000 0.480 691 L N 4.717 126.004 121.223 0.107 0.000 3.954 691 L HA -0.272 4.068 4.340 -0.000 0.000 0.462 691 L C 0.697 177.682 176.870 0.192 0.000 1.195 691 L CA 0.410 55.262 54.840 0.020 0.000 0.739 691 L CB -1.853 40.168 42.059 -0.062 0.000 1.599 691 L HN 0.571 nan 8.230 nan 0.000 0.838 692 F N -0.515 119.488 119.950 0.088 0.000 2.797 692 F HA 0.625 5.152 4.527 -0.000 0.000 0.302 692 F C 0.332 176.345 175.800 0.356 0.000 1.130 692 F CA -0.646 57.524 58.000 0.284 0.000 1.387 692 F CB 0.267 39.319 39.000 0.087 0.000 1.107 692 F HN 0.095 nan 8.300 nan 0.000 0.577 693 L N 0.221 121.230 121.223 -0.356 0.000 2.700 693 L HA 0.565 4.905 4.340 -0.000 0.000 0.255 693 L C -2.393 174.248 176.870 -0.381 0.000 0.933 693 L CA -1.158 53.416 54.840 -0.442 0.000 0.920 693 L CB 1.090 42.386 42.059 -1.271 0.000 1.472 693 L HN -0.057 nan 8.230 nan 0.000 0.426 694 F N 2.630 122.166 119.950 -0.692 0.000 2.563 694 F HA 0.775 5.302 4.527 -0.000 0.000 0.316 694 F C -1.174 174.173 175.800 -0.755 0.000 1.076 694 F CA -0.349 57.238 58.000 -0.687 0.000 0.921 694 F CB 2.112 40.413 39.000 -1.166 0.000 1.209 694 F HN 0.390 nan 8.300 nan 0.000 0.462 695 W N 1.760 122.811 121.300 -0.416 0.000 2.619 695 W HA 0.392 5.052 4.660 -0.000 0.000 0.327 695 W C -0.505 175.795 176.519 -0.365 0.000 1.027 695 W CA -1.052 56.083 57.345 -0.349 0.000 1.233 695 W CB 1.196 30.497 29.460 -0.265 0.000 1.370 695 W HN 0.320 nan 8.180 nan 0.000 0.453 696 N N 3.633 122.237 118.700 -0.160 0.000 2.462 696 N HA 0.337 5.077 4.740 -0.000 0.000 0.242 696 N C -0.340 175.144 175.510 -0.044 0.000 1.010 696 N CA 0.066 53.022 53.050 -0.156 0.000 0.939 696 N CB 0.688 39.129 38.487 -0.076 0.000 1.127 696 N HN 0.606 nan 8.380 nan 0.000 0.509 697 L N 2.265 123.391 121.223 -0.161 0.000 2.803 697 L HA 0.337 4.677 4.340 -0.000 0.000 0.246 697 L C -0.291 176.387 176.870 -0.320 0.000 1.100 697 L CA -0.087 54.531 54.840 -0.371 0.000 0.919 697 L CB 0.162 41.722 42.059 -0.832 0.000 1.285 697 L HN 0.460 nan 8.230 nan 0.000 0.522 698 Y N -0.965 119.411 120.300 0.126 0.000 2.631 698 Y HA 0.242 4.792 4.550 -0.000 0.000 0.328 698 Y C 1.108 177.095 175.900 0.145 0.000 1.118 698 Y CA -0.713 57.461 58.100 0.123 0.000 1.206 698 Y CB 1.478 40.006 38.460 0.114 0.000 1.337 698 Y HN -0.287 nan 8.280 nan 0.000 0.515 699 K N 0.693 121.292 120.400 0.332 0.000 2.103 699 K HA 0.092 4.412 4.320 -0.000 0.000 0.204 699 K C 0.521 177.257 176.600 0.227 0.000 1.052 699 K CA 0.723 57.143 56.287 0.221 0.000 0.945 699 K CB -0.071 32.526 32.500 0.162 0.000 0.722 699 K HN 0.680 nan 8.250 nan 0.000 0.443 700 A N 1.718 124.699 122.820 0.268 0.000 2.287 700 A HA 0.257 4.576 4.320 -0.000 0.000 0.273 700 A C -2.299 175.500 177.584 0.358 0.000 1.091 700 A CA -1.255 50.965 52.037 0.305 0.000 0.817 700 A CB -0.139 19.103 19.000 0.402 0.000 1.069 700 A HN 0.093 nan 8.150 nan 0.000 0.492 701 P HA 0.201 nan 4.420 nan 0.000 0.252 701 P C -1.060 176.509 177.300 0.447 0.000 1.694 701 P CA 0.847 64.257 63.100 0.517 0.000 1.163 701 P CB -0.593 31.355 31.700 0.414 0.000 1.934 702 I N 2.639 123.405 120.570 0.328 0.000 2.465 702 I HA 0.363 4.532 4.170 -0.000 0.000 0.291 702 I C 0.281 176.307 176.117 -0.152 0.000 1.014 702 I CA -1.010 60.303 61.300 0.022 0.000 1.093 702 I CB 2.349 40.381 38.000 0.054 0.000 1.267 702 I HN -0.027 nan 8.210 nan 0.000 0.431 703 L N 6.291 127.299 121.223 -0.360 0.000 2.334 703 L HA 0.634 4.974 4.340 -0.000 0.000 0.273 703 L C -1.002 175.750 176.870 -0.196 0.000 1.013 703 L CA -0.818 53.788 54.840 -0.391 0.000 0.816 703 L CB 2.276 44.053 42.059 -0.470 0.000 1.278 703 L HN 0.469 nan 8.230 nan 0.000 0.431 704 L N 2.725 123.866 121.223 -0.136 0.000 2.406 704 L HA 0.747 5.086 4.340 -0.000 0.000 0.272 704 L C -0.819 175.944 176.870 -0.178 0.000 0.980 704 L CA -0.138 54.631 54.840 -0.118 0.000 0.831 704 L CB 1.703 43.730 42.059 -0.054 0.000 1.253 704 L HN 0.685 nan 8.230 nan 0.000 0.406 705 A N 4.772 127.400 122.820 -0.320 0.000 2.355 705 A HA 0.783 5.103 4.320 -0.000 0.000 0.317 705 A C -1.427 175.980 177.584 -0.295 0.000 1.094 705 A CA -0.544 51.151 52.037 -0.570 0.000 0.764 705 A CB 1.322 19.682 19.000 -1.067 0.000 1.230 705 A HN 0.471 nan 8.150 nan 0.000 0.448 706 L N 1.816 122.915 121.223 -0.207 0.000 2.334 706 L HA 0.522 4.862 4.340 -0.000 0.000 0.277 706 L C -0.134 176.811 176.870 0.125 0.000 1.075 706 L CA -0.267 54.596 54.840 0.039 0.000 0.804 706 L CB 1.544 43.707 42.059 0.173 0.000 1.174 706 L HN 0.401 nan 8.230 nan 0.000 0.438 707 V N 3.172 123.165 119.914 0.132 0.000 2.349 707 V HA 0.813 4.933 4.120 -0.000 0.000 0.284 707 V C 0.215 176.366 176.094 0.094 0.000 1.014 707 V CA -0.511 61.855 62.300 0.110 0.000 0.826 707 V CB 0.922 32.773 31.823 0.046 0.000 1.009 707 V HN 0.931 nan 8.190 nan 0.000 0.431 708 A N 3.582 126.424 122.820 0.037 0.000 2.392 708 A HA 1.041 5.361 4.320 -0.000 0.000 0.283 708 A C 0.765 178.274 177.584 -0.126 0.000 1.197 708 A CA -0.026 51.989 52.037 -0.036 0.000 0.895 708 A CB 0.825 19.793 19.000 -0.053 0.000 1.400 708 A HN 1.943 nan 8.150 nan 0.000 0.461 709 G N -0.574 108.137 108.800 -0.149 0.000 2.591 709 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.278 709 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.278 709 G C 0.611 175.446 174.900 -0.109 0.000 1.293 709 G CA 0.547 45.556 45.100 -0.153 0.000 0.930 709 G HN 0.799 nan 8.290 nan 0.000 0.562 710 E N -0.364 119.777 120.200 -0.097 0.000 2.169 710 E HA -0.273 4.077 4.350 -0.000 0.000 0.202 710 E C 2.999 179.572 176.600 -0.045 0.000 1.016 710 E CA 2.197 58.558 56.400 -0.065 0.000 0.817 710 E CB -0.799 28.868 29.700 -0.055 0.000 0.736 710 E HN 0.981 nan 8.360 nan 0.000 0.462 711 A N 1.323 124.117 122.820 -0.043 0.000 1.978 711 A HA -0.130 4.189 4.320 -0.000 0.000 0.220 711 A C 2.436 180.011 177.584 -0.015 0.000 1.170 711 A CA 2.075 54.100 52.037 -0.020 0.000 0.636 711 A CB -0.520 18.474 19.000 -0.010 0.000 0.810 711 A HN 0.294 nan 8.150 nan 0.000 0.448 712 A N -0.400 122.405 122.820 -0.024 0.000 1.865 712 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 712 A C 2.458 180.038 177.584 -0.006 0.000 1.191 712 A CA 2.012 54.043 52.037 -0.010 0.000 0.623 712 A CB -1.480 17.508 19.000 -0.020 0.000 0.826 712 A HN 0.789 nan 8.150 nan 0.000 0.444 713 G N -0.318 108.473 108.800 -0.015 0.000 2.432 713 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.219 713 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.219 713 G C 1.495 176.391 174.900 -0.008 0.000 1.135 713 G CA 1.125 46.219 45.100 -0.009 0.000 0.767 713 G HN 0.500 nan 8.290 nan 0.000 0.550 714 I N 0.418 120.983 120.570 -0.009 0.000 2.286 714 I HA -0.091 4.078 4.170 -0.000 0.000 0.245 714 I C 2.669 178.784 176.117 -0.005 0.000 1.104 714 I CA 0.573 61.869 61.300 -0.006 0.000 1.397 714 I CB -0.175 37.823 38.000 -0.003 0.000 1.072 714 I HN 0.064 nan 8.210 nan 0.000 0.417 715 M N 0.314 119.912 119.600 -0.004 0.000 2.267 715 M HA -0.193 4.287 4.480 -0.000 0.000 0.263 715 M C 1.841 178.132 176.300 -0.014 0.000 1.063 715 M CA 1.511 56.808 55.300 -0.005 0.000 1.090 715 M CB -1.155 31.443 32.600 -0.002 0.000 1.392 715 M HN 0.285 nan 8.290 nan 0.000 0.422 716 E N -0.232 119.958 120.200 -0.015 0.000 2.515 716 E HA -0.126 4.224 4.350 -0.000 0.000 0.201 716 E C 0.387 176.971 176.600 -0.027 0.000 1.071 716 E CA 0.334 56.719 56.400 -0.025 0.000 0.880 716 E CB -0.226 29.462 29.700 -0.021 0.000 0.828 716 E HN 0.446 nan 8.360 nan 0.000 0.540 717 N N 0.225 118.914 118.700 -0.019 0.000 2.328 717 N HA 0.260 5.000 4.740 -0.000 0.000 0.247 717 N C -1.067 174.434 175.510 -0.015 0.000 1.165 717 N CA 0.098 53.138 53.050 -0.017 0.000 0.873 717 N CB 0.674 39.154 38.487 -0.013 0.000 1.125 717 N HN -0.017 nan 8.380 nan 0.000 0.513 718 I N 0.197 120.757 120.570 -0.017 0.000 2.571 718 I HA 0.170 4.340 4.170 -0.000 0.000 0.289 718 I C -0.090 176.017 176.117 -0.017 0.000 1.115 718 I CA -0.832 60.461 61.300 -0.012 0.000 1.045 718 I CB 1.855 39.852 38.000 -0.006 0.000 1.238 718 I HN 0.033 nan 8.210 nan 0.000 0.424 719 S N 3.564 119.255 115.700 -0.014 0.000 2.560 719 S HA -0.019 4.451 4.470 -0.000 0.000 0.276 719 S C 0.756 175.344 174.600 -0.021 0.000 1.350 719 S CA 0.050 58.239 58.200 -0.018 0.000 1.024 719 S CB 0.746 63.940 63.200 -0.011 0.000 0.864 719 S HN 0.608 nan 8.310 nan 0.000 0.536 720 D N 1.409 121.792 120.400 -0.029 0.000 2.123 720 D HA -0.101 4.539 4.640 -0.000 0.000 0.196 720 D C 1.563 177.851 176.300 -0.021 0.000 0.992 720 D CA 1.725 55.704 54.000 -0.036 0.000 0.833 720 D CB -0.373 40.398 40.800 -0.048 0.000 0.954 720 D HN 0.686 nan 8.370 nan 0.000 0.455 721 D N 0.382 120.776 120.400 -0.009 0.000 2.088 721 D HA -0.120 4.520 4.640 -0.000 0.000 0.191 721 D C 2.371 178.678 176.300 0.012 0.000 0.992 721 D CA 0.879 54.882 54.000 0.005 0.000 0.831 721 D CB -0.436 40.369 40.800 0.008 0.000 0.973 721 D HN 0.056 nan 8.370 nan 0.000 0.447 722 V N 1.976 121.896 119.914 0.010 0.000 2.277 722 V HA -0.293 3.826 4.120 -0.000 0.000 0.255 722 V C 2.603 178.707 176.094 0.017 0.000 1.074 722 V CA 1.557 63.865 62.300 0.015 0.000 1.058 722 V CB -0.578 31.251 31.823 0.010 0.000 0.656 722 V HN 0.211 nan 8.190 nan 0.000 0.449 723 I N -0.431 120.142 120.570 0.006 0.000 2.142 723 I HA -0.199 3.971 4.170 -0.000 0.000 0.240 723 I C 2.320 178.445 176.117 0.015 0.000 1.078 723 I CA 1.471 62.772 61.300 0.003 0.000 1.343 723 I CB -0.414 37.575 38.000 -0.018 0.000 1.046 723 I HN 0.177 nan 8.210 nan 0.000 0.405 724 V N 1.120 121.042 119.914 0.013 0.000 2.490 724 V HA -0.196 3.923 4.120 -0.000 0.000 0.250 724 V C 2.529 178.666 176.094 0.071 0.000 1.061 724 V CA 1.866 64.188 62.300 0.036 0.000 1.064 724 V CB -1.700 30.137 31.823 0.023 0.000 0.670 724 V HN 0.584 nan 8.190 nan 0.000 0.461 725 G N 0.720 109.554 108.800 0.056 0.000 2.587 725 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 725 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 725 G C 1.623 176.567 174.900 0.074 0.000 1.240 725 G CA 1.018 46.155 45.100 0.062 0.000 0.794 725 G HN 0.448 nan 8.290 nan 0.000 0.580 726 R N -0.773 119.764 120.500 0.062 0.000 2.185 726 R HA -0.133 4.207 4.340 -0.000 0.000 0.247 726 R C 2.557 178.915 176.300 0.098 0.000 1.159 726 R CA 1.092 57.232 56.100 0.067 0.000 0.988 726 R CB -0.816 29.514 30.300 0.049 0.000 0.871 726 R HN 0.404 nan 8.270 nan 0.000 0.458 727 C N 0.404 119.777 119.300 0.121 0.000 2.489 727 C HA -0.004 4.456 4.460 -0.000 0.000 0.279 727 C C 2.586 177.733 174.990 0.262 0.000 1.266 727 C CA 0.487 59.631 59.018 0.211 0.000 1.707 727 C CB -0.762 27.085 27.740 0.179 0.000 2.059 727 C HN 0.410 nan 8.230 nan 0.000 0.481 728 L N 1.072 122.419 121.223 0.207 0.000 1.994 728 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 728 L C 2.858 179.807 176.870 0.132 0.000 1.071 728 L CA 1.614 56.566 54.840 0.187 0.000 0.745 728 L CB -1.089 41.059 42.059 0.148 0.000 0.892 728 L HN 0.366 nan 8.230 nan 0.000 0.431 729 A N 0.994 123.879 122.820 0.107 0.000 1.870 729 A HA -0.323 3.997 4.320 -0.000 0.000 0.219 729 A C 2.230 179.876 177.584 0.103 0.000 1.286 729 A CA 2.587 54.677 52.037 0.089 0.000 0.682 729 A CB -1.203 17.847 19.000 0.082 0.000 0.844 729 A HN 0.379 nan 8.150 nan 0.000 0.460 730 I N -0.621 120.022 120.570 0.122 0.000 2.185 730 I HA -0.321 3.848 4.170 -0.000 0.000 0.246 730 I C 2.524 178.703 176.117 0.105 0.000 1.088 730 I CA 1.639 63.015 61.300 0.128 0.000 1.347 730 I CB -0.390 37.660 38.000 0.083 0.000 1.041 730 I HN 0.372 nan 8.210 nan 0.000 0.415 731 L N 0.195 121.498 121.223 0.133 0.000 2.056 731 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 731 L C 2.613 179.582 176.870 0.166 0.000 1.078 731 L CA 1.402 56.346 54.840 0.173 0.000 0.749 731 L CB -0.398 41.828 42.059 0.277 0.000 0.901 731 L HN 0.189 nan 8.230 nan 0.000 0.433 732 K N -0.103 120.342 120.400 0.074 0.000 1.985 732 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 732 K C 2.096 178.706 176.600 0.018 0.000 1.047 732 K CA 1.356 57.652 56.287 0.014 0.000 0.932 732 K CB -0.738 31.760 32.500 -0.004 0.000 0.716 732 K HN 0.367 nan 8.250 nan 0.000 0.439 733 G N 1.468 110.286 108.800 0.029 0.000 2.606 733 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.223 733 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.223 733 G C 1.378 176.260 174.900 -0.030 0.000 1.106 733 G CA 1.430 46.542 45.100 0.020 0.000 0.745 733 G HN 0.149 nan 8.290 nan 0.000 0.597 734 I N -1.782 118.734 120.570 -0.090 0.000 2.927 734 I HA 0.293 4.463 4.170 -0.000 0.000 0.268 734 I C 1.436 177.259 176.117 -0.490 0.000 1.153 734 I CA 0.395 61.487 61.300 -0.346 0.000 1.459 734 I CB 0.089 37.637 38.000 -0.753 0.000 1.149 734 I HN 0.106 nan 8.210 nan 0.000 0.443 735 F N 0.340 120.208 119.950 -0.136 0.000 2.682 735 F HA 0.554 5.081 4.527 -0.000 0.000 0.308 735 F C 0.956 176.680 175.800 -0.127 0.000 1.093 735 F CA 0.062 57.995 58.000 -0.112 0.000 1.244 735 F CB 0.421 39.385 39.000 -0.060 0.000 1.052 735 F HN -0.025 nan 8.300 nan 0.000 0.573 736 G N 0.354 109.158 108.800 0.007 0.000 3.225 736 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.686 736 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.686 736 G C 0.407 175.269 174.900 -0.062 0.000 1.105 736 G CA -0.325 44.756 45.100 -0.031 0.000 0.831 736 G HN 0.003 nan 8.290 nan 0.000 0.578 737 S N 0.116 115.785 115.700 -0.051 0.000 2.776 737 S HA 0.212 4.682 4.470 -0.000 0.000 0.242 737 S C 1.707 176.260 174.600 -0.078 0.000 0.977 737 S CA 1.833 60.000 58.200 -0.054 0.000 0.985 737 S CB -0.484 62.697 63.200 -0.031 0.000 0.782 737 S HN 2.205 nan 8.310 nan 0.000 0.542 738 S N -2.360 113.271 115.700 -0.114 0.000 2.790 738 S HA 0.293 4.762 4.470 -0.000 0.000 0.213 738 S C 0.686 175.180 174.600 -0.177 0.000 0.790 738 S CA 0.066 58.188 58.200 -0.130 0.000 1.339 738 S CB -0.637 62.515 63.200 -0.081 0.000 1.297 738 S HN 0.352 nan 8.310 nan 0.000 0.565 739 A N 0.848 123.527 122.820 -0.235 0.000 2.208 739 A HA 0.584 4.904 4.320 -0.000 0.000 0.209 739 A C 0.664 177.817 177.584 -0.717 0.000 1.161 739 A CA 0.543 52.379 52.037 -0.335 0.000 0.782 739 A CB 0.024 18.884 19.000 -0.234 0.000 0.816 739 A HN 0.585 nan 8.150 nan 0.000 0.477 740 V N 3.539 123.030 119.914 -0.705 0.000 2.277 740 V HA 0.237 4.357 4.120 -0.000 0.000 0.269 740 V C -1.964 173.849 176.094 -0.468 0.000 1.036 740 V CA -1.540 60.212 62.300 -0.914 0.000 0.821 740 V CB 0.953 32.417 31.823 -0.599 0.000 1.052 740 V HN 0.368 nan 8.190 nan 0.000 0.462 741 P HA 0.207 nan 4.420 nan 0.000 0.286 741 P C -0.496 176.793 177.300 -0.018 0.000 1.293 741 P CA -0.572 62.439 63.100 -0.147 0.000 0.770 741 P CB 0.688 32.355 31.700 -0.054 0.000 1.206 742 Q N 0.629 120.482 119.800 0.088 0.000 2.332 742 Q HA 0.223 4.563 4.340 -0.000 0.000 0.263 742 Q C -1.912 174.296 176.000 0.346 0.000 0.979 742 Q CA -1.469 54.443 55.803 0.182 0.000 0.885 742 Q CB -0.214 28.599 28.738 0.125 0.000 1.218 742 Q HN 0.333 nan 8.270 nan 0.000 0.405 743 P HA 0.083 nan 4.420 nan 0.000 0.276 743 P C 0.234 177.641 177.300 0.179 0.000 1.243 743 P CA -0.256 63.062 63.100 0.363 0.000 0.768 743 P CB 0.916 32.693 31.700 0.129 0.000 0.856 744 K N 1.488 122.001 120.400 0.188 0.000 2.026 744 K HA -0.059 4.261 4.320 -0.000 0.000 0.208 744 K C 0.664 177.347 176.600 0.138 0.000 1.048 744 K CA 1.546 57.947 56.287 0.189 0.000 0.929 744 K CB 0.078 32.757 32.500 0.299 0.000 0.713 744 K HN 0.529 nan 8.250 nan 0.000 0.439 745 E N 0.579 120.810 120.200 0.052 0.000 2.275 745 E HA 0.228 4.578 4.350 -0.000 0.000 0.270 745 E C -0.933 175.574 176.600 -0.156 0.000 0.882 745 E CA -0.314 56.100 56.400 0.024 0.000 0.758 745 E CB 2.213 32.047 29.700 0.224 0.000 1.195 745 E HN 0.181 nan 8.360 nan 0.000 0.419 746 T N -1.136 113.328 114.554 -0.149 0.000 2.886 746 T HA 0.777 5.127 4.350 -0.000 0.000 0.292 746 T C -0.329 174.199 174.700 -0.286 0.000 1.012 746 T CA -0.704 61.260 62.100 -0.227 0.000 0.982 746 T CB 1.243 70.026 68.868 -0.142 0.000 1.018 746 T HN 0.071 nan 8.240 nan 0.000 0.451 747 V N 1.530 121.218 119.914 -0.378 0.000 2.962 747 V HA 0.807 4.927 4.120 -0.000 0.000 0.313 747 V C -0.785 175.151 176.094 -0.263 0.000 1.099 747 V CA -1.002 61.076 62.300 -0.370 0.000 0.971 747 V CB 2.239 33.711 31.823 -0.585 0.000 1.028 747 V HN 0.918 nan 8.190 nan 0.000 0.430 748 V N 1.920 121.708 119.914 -0.209 0.000 2.498 748 V HA 0.354 4.474 4.120 -0.000 0.000 0.283 748 V C 0.316 176.304 176.094 -0.177 0.000 1.015 748 V CA -0.430 61.772 62.300 -0.162 0.000 0.867 748 V CB 1.594 33.343 31.823 -0.124 0.000 1.025 748 V HN 1.087 nan 8.190 nan 0.000 0.441 749 S N 4.975 120.562 115.700 -0.188 0.000 2.563 749 S HA 0.407 4.877 4.470 -0.000 0.000 0.284 749 S C 0.063 174.501 174.600 -0.269 0.000 1.331 749 S CA -0.173 57.836 58.200 -0.319 0.000 1.047 749 S CB 0.495 63.526 63.200 -0.283 0.000 0.859 749 S HN 0.737 nan 8.310 nan 0.000 0.514 750 R N 2.134 122.409 120.500 -0.376 0.000 2.721 750 R HA 0.228 4.567 4.340 -0.000 0.000 0.272 750 R C -0.619 175.566 176.300 -0.192 0.000 1.721 750 R CA -0.270 55.710 56.100 -0.201 0.000 1.325 750 R CB 0.412 30.628 30.300 -0.140 0.000 1.271 750 R HN 0.857 nan 8.270 nan 0.000 0.556 751 W N 0.628 121.913 121.300 -0.025 0.000 2.523 751 W HA 0.019 4.679 4.660 -0.000 0.000 0.278 751 W C 2.246 178.764 176.519 -0.002 0.000 1.236 751 W CA 0.241 57.582 57.345 -0.007 0.000 1.306 751 W CB 0.238 29.688 29.460 -0.017 0.000 1.101 751 W HN 0.355 nan 8.180 nan 0.000 0.577 752 R N 1.124 121.743 120.500 0.198 0.000 2.115 752 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 752 R C 2.056 178.393 176.300 0.062 0.000 1.111 752 R CA 1.754 57.928 56.100 0.122 0.000 0.976 752 R CB -0.854 29.487 30.300 0.068 0.000 0.870 752 R HN 0.048 nan 8.270 nan 0.000 0.445 753 A N 0.550 123.379 122.820 0.015 0.000 1.845 753 A HA -0.144 4.175 4.320 -0.000 0.000 0.215 753 A C 0.686 178.221 177.584 -0.081 0.000 1.195 753 A CA 1.220 53.229 52.037 -0.046 0.000 0.616 753 A CB -0.986 17.969 19.000 -0.075 0.000 0.832 753 A HN 0.471 nan 8.150 nan 0.000 0.443 754 D N 0.692 121.041 120.400 -0.084 0.000 2.661 754 D HA -0.012 4.628 4.640 -0.000 0.000 0.244 754 D C -1.170 175.038 176.300 -0.153 0.000 1.196 754 D CA -1.015 52.910 54.000 -0.125 0.000 0.881 754 D CB 0.615 41.379 40.800 -0.061 0.000 1.141 754 D HN 0.166 nan 8.370 nan 0.000 0.530 755 P HA -0.172 nan 4.420 nan 0.000 0.218 755 P C 0.455 177.447 177.300 -0.514 0.000 1.146 755 P CA 1.358 64.061 63.100 -0.662 0.000 0.820 755 P CB -0.142 30.803 31.700 -1.258 0.000 0.778 756 W N -1.221 120.121 121.300 0.070 0.000 3.151 756 W HA 0.590 5.250 4.660 -0.000 0.000 0.424 756 W C 1.292 177.887 176.519 0.127 0.000 1.012 756 W CA -0.186 57.204 57.345 0.075 0.000 2.018 756 W CB 0.274 29.774 29.460 0.067 0.000 1.087 756 W HN 0.007 nan 8.180 nan 0.000 0.740 757 A N -0.385 122.606 122.820 0.284 0.000 1.519 757 A HA 0.160 4.480 4.320 -0.000 0.000 0.210 757 A C 1.458 179.225 177.584 0.304 0.000 1.889 757 A CA -0.327 51.908 52.037 0.330 0.000 1.478 757 A CB 0.179 19.485 19.000 0.509 0.000 1.432 757 A HN 0.009 nan 8.150 nan 0.000 0.340 758 R N -0.037 120.605 120.500 0.237 0.000 3.627 758 R HA -0.155 4.185 4.340 -0.000 0.000 0.281 758 R C 0.579 177.118 176.300 0.398 0.000 1.140 758 R CA 1.383 57.605 56.100 0.203 0.000 0.761 758 R CB -2.402 27.947 30.300 0.082 0.000 1.181 758 R HN 2.117 nan 8.270 nan 0.000 0.472 759 G N -2.520 106.533 108.800 0.421 0.000 2.340 759 G HA2 0.036 3.996 3.960 -0.000 0.000 0.282 759 G HA3 0.036 3.996 3.960 -0.000 0.000 0.282 759 G C 0.252 175.104 174.900 -0.081 0.000 1.312 759 G CA 0.298 45.498 45.100 0.167 0.000 0.942 759 G HN 0.321 nan 8.290 nan 0.000 0.495 760 S N -1.477 113.812 115.700 -0.685 0.000 2.748 760 S HA 0.646 5.116 4.470 -0.000 0.000 0.241 760 S C 0.420 174.669 174.600 -0.585 0.000 1.064 760 S CA 1.629 59.417 58.200 -0.686 0.000 0.892 760 S CB 0.245 62.982 63.200 -0.771 0.000 0.810 760 S HN 2.214 nan 8.310 nan 0.000 0.555 761 Y N 0.450 120.271 120.300 -0.799 0.000 2.732 761 Y HA 0.674 5.223 4.550 -0.000 0.000 0.342 761 Y C -0.503 175.203 175.900 -0.323 0.000 1.203 761 Y CA -1.351 56.519 58.100 -0.384 0.000 1.092 761 Y CB 0.175 38.544 38.460 -0.153 0.000 1.345 761 Y HN 0.224 nan 8.280 nan 0.000 0.458 762 S N 0.935 116.847 115.700 0.354 0.000 2.624 762 S HA 0.732 5.201 4.470 -0.000 0.000 0.263 762 S C -0.866 173.958 174.600 0.373 0.000 1.287 762 S CA 0.255 58.647 58.200 0.320 0.000 0.990 762 S CB 0.879 64.309 63.200 0.383 0.000 0.950 762 S HN 1.390 nan 8.310 nan 0.000 0.561 763 Y N -2.334 118.118 120.300 0.252 0.000 2.670 763 Y HA 0.641 5.191 4.550 -0.000 0.000 0.334 763 Y C -1.389 174.670 175.900 0.265 0.000 1.185 763 Y CA -1.776 56.472 58.100 0.248 0.000 1.053 763 Y CB 0.496 39.044 38.460 0.148 0.000 1.298 763 Y HN 0.417 nan 8.280 nan 0.000 0.459 764 V N 2.557 122.815 119.914 0.574 0.000 2.299 764 V HA 0.641 4.761 4.120 -0.000 0.000 0.255 764 V C 0.796 177.169 176.094 0.465 0.000 1.100 764 V CA -0.283 62.270 62.300 0.422 0.000 0.938 764 V CB -0.759 31.296 31.823 0.388 0.000 1.139 764 V HN 0.981 nan 8.190 nan 0.000 0.490 765 A N 4.167 127.148 122.820 0.267 0.000 2.466 765 A HA 0.641 4.961 4.320 -0.000 0.000 0.238 765 A C 0.983 178.707 177.584 0.232 0.000 1.074 765 A CA 0.260 52.514 52.037 0.361 0.000 0.774 765 A CB 0.259 19.332 19.000 0.121 0.000 1.015 765 A HN 1.354 nan 8.150 nan 0.000 0.498 766 A N 0.585 123.527 122.820 0.203 0.000 2.520 766 A HA 0.482 4.802 4.320 -0.000 0.000 0.245 766 A C 1.563 179.202 177.584 0.090 0.000 1.072 766 A CA 0.770 52.887 52.037 0.133 0.000 0.761 766 A CB -0.899 18.150 19.000 0.082 0.000 1.004 766 A HN 2.765 nan 8.150 nan 0.000 0.499 767 G N 1.111 109.964 108.800 0.089 0.000 2.157 767 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.248 767 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.248 767 G C 0.471 175.388 174.900 0.029 0.000 0.979 767 G CA 0.636 45.767 45.100 0.052 0.000 0.650 767 G HN 1.497 nan 8.290 nan 0.000 0.529 768 S N -0.899 114.823 115.700 0.036 0.000 2.739 768 S HA 0.926 5.396 4.470 -0.000 0.000 0.306 768 S C 0.481 175.034 174.600 -0.077 0.000 1.115 768 S CA 0.902 59.092 58.200 -0.015 0.000 0.985 768 S CB 1.804 64.997 63.200 -0.010 0.000 1.133 768 S HN 1.734 nan 8.310 nan 0.000 0.541 769 S N -0.001 115.618 115.700 -0.136 0.000 2.903 769 S HA 0.609 5.079 4.470 -0.000 0.000 0.314 769 S C 1.007 175.578 174.600 -0.048 0.000 1.177 769 S CA -0.115 57.881 58.200 -0.340 0.000 0.859 769 S CB 0.597 63.466 63.200 -0.552 0.000 1.265 769 S HN 0.882 nan 8.310 nan 0.000 0.584 770 G N 0.910 109.670 108.800 -0.065 0.000 2.464 770 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.217 770 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.217 770 G C 1.174 176.156 174.900 0.136 0.000 1.138 770 G CA 0.646 45.806 45.100 0.099 0.000 0.793 770 G HN 0.821 nan 8.290 nan 0.000 0.539 771 N N 0.906 119.621 118.700 0.025 0.000 2.443 771 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 771 N C 1.111 176.641 175.510 0.034 0.000 1.037 771 N CA 1.161 54.223 53.050 0.020 0.000 0.896 771 N CB -0.157 38.320 38.487 -0.017 0.000 0.959 771 N HN 0.091 nan 8.380 nan 0.000 0.442 772 D N -0.029 120.389 120.400 0.031 0.000 2.149 772 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 772 D C 1.354 177.622 176.300 -0.052 0.000 0.972 772 D CA 0.855 54.834 54.000 -0.035 0.000 0.835 772 D CB -0.452 40.277 40.800 -0.119 0.000 0.966 772 D HN 0.394 nan 8.370 nan 0.000 0.476 773 Y N 1.161 121.444 120.300 -0.029 0.000 2.256 773 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 773 Y C 2.103 177.989 175.900 -0.023 0.000 1.155 773 Y CA 0.948 59.034 58.100 -0.023 0.000 1.203 773 Y CB -0.029 38.414 38.460 -0.029 0.000 0.980 773 Y HN -0.062 nan 8.280 nan 0.000 0.530 774 D N -0.167 120.309 120.400 0.127 0.000 2.091 774 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 774 D C 2.326 178.662 176.300 0.058 0.000 0.980 774 D CA 0.931 54.972 54.000 0.068 0.000 0.831 774 D CB -0.538 40.283 40.800 0.035 0.000 0.987 774 D HN 0.237 nan 8.370 nan 0.000 0.460 775 L N 0.363 121.620 121.223 0.056 0.000 1.991 775 L HA -0.268 4.072 4.340 -0.000 0.000 0.221 775 L C 2.495 179.432 176.870 0.113 0.000 1.079 775 L CA 1.085 56.002 54.840 0.127 0.000 0.778 775 L CB -0.539 41.603 42.059 0.137 0.000 0.893 775 L HN 0.098 nan 8.230 nan 0.000 0.437 776 M N -0.666 118.922 119.600 -0.019 0.000 2.192 776 M HA -0.253 4.227 4.480 -0.000 0.000 0.256 776 M C 2.291 178.541 176.300 -0.083 0.000 1.076 776 M CA 2.206 57.426 55.300 -0.134 0.000 1.075 776 M CB -1.532 31.011 32.600 -0.094 0.000 1.368 776 M HN 0.402 nan 8.290 nan 0.000 0.406 777 A N -1.256 121.597 122.820 0.054 0.000 2.081 777 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 777 A C 1.087 178.809 177.584 0.230 0.000 1.158 777 A CA 0.067 52.188 52.037 0.141 0.000 0.724 777 A CB -0.169 18.891 19.000 0.100 0.000 0.826 777 A HN 0.394 nan 8.150 nan 0.000 0.463 778 Q N 1.529 121.456 119.800 0.212 0.000 2.264 778 Q HA 0.090 4.430 4.340 -0.000 0.000 0.296 778 Q C -2.247 173.955 176.000 0.336 0.000 1.103 778 Q CA -1.159 54.786 55.803 0.238 0.000 0.967 778 Q CB 0.184 29.049 28.738 0.213 0.000 1.090 778 Q HN 0.423 nan 8.270 nan 0.000 0.379 779 P HA 0.106 nan 4.420 nan 0.000 0.271 779 P C -0.221 177.038 177.300 -0.069 0.000 1.233 779 P CA -0.059 62.984 63.100 -0.096 0.000 0.789 779 P CB 0.865 32.311 31.700 -0.424 0.000 0.951 780 I N 0.597 121.007 120.570 -0.267 0.000 2.460 780 I HA 0.279 4.449 4.170 -0.000 0.000 0.298 780 I C 0.561 176.560 176.117 -0.196 0.000 0.989 780 I CA -0.330 60.868 61.300 -0.170 0.000 1.173 780 I CB 1.235 39.072 38.000 -0.273 0.000 1.338 780 I HN 0.187 nan 8.210 nan 0.000 0.456 781 T N 6.858 121.398 114.554 -0.023 0.000 2.809 781 T HA 0.389 4.739 4.350 -0.000 0.000 0.296 781 T C -2.181 172.593 174.700 0.123 0.000 1.015 781 T CA -1.048 61.067 62.100 0.025 0.000 0.954 781 T CB 1.396 70.276 68.868 0.019 0.000 0.950 781 T HN 0.437 nan 8.240 nan 0.000 0.450 782 P HA 0.211 nan 4.420 nan 0.000 0.270 782 P C 0.670 178.043 177.300 0.122 0.000 1.223 782 P CA -0.284 62.956 63.100 0.233 0.000 0.785 782 P CB 0.448 32.290 31.700 0.237 0.000 0.923 783 G N 1.594 110.446 108.800 0.086 0.000 2.712 783 G HA2 0.337 4.296 3.960 -0.000 0.000 0.258 783 G HA3 0.337 4.296 3.960 -0.000 0.000 0.258 783 G C -2.302 172.624 174.900 0.043 0.000 1.241 783 G CA -0.723 44.409 45.100 0.054 0.000 0.923 783 G HN 0.446 nan 8.290 nan 0.000 0.548 784 P HA 0.319 nan 4.420 nan 0.000 0.282 784 P C 0.495 177.806 177.300 0.019 0.000 1.259 784 P CA -0.493 62.624 63.100 0.027 0.000 0.826 784 P CB 2.025 33.738 31.700 0.021 0.000 1.064 785 S N 0.521 116.232 115.700 0.019 0.000 2.354 785 S HA 0.026 4.496 4.470 -0.000 0.000 0.200 785 S C 0.791 175.396 174.600 0.008 0.000 1.055 785 S CA 0.539 58.746 58.200 0.012 0.000 1.077 785 S CB -0.841 62.368 63.200 0.015 0.000 0.992 785 S HN 0.454 nan 8.310 nan 0.000 0.423 786 I N 4.014 124.590 120.570 0.009 0.000 2.664 786 I HA 0.131 4.301 4.170 -0.000 0.000 0.284 786 I C -2.173 173.949 176.117 0.008 0.000 1.154 786 I CA -1.557 59.747 61.300 0.007 0.000 1.402 786 I CB -0.626 37.379 38.000 0.008 0.000 1.395 786 I HN 0.149 nan 8.210 nan 0.000 0.545 787 P HA 0.083 nan 4.420 nan 0.000 0.267 787 P C 0.856 178.160 177.300 0.007 0.000 1.200 787 P CA 0.281 63.386 63.100 0.007 0.000 0.772 787 P CB 0.797 32.501 31.700 0.005 0.000 0.855 788 G N 0.892 109.696 108.800 0.007 0.000 2.168 788 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.257 788 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.257 788 G C 0.425 175.329 174.900 0.006 0.000 0.997 788 G CA 0.168 45.271 45.100 0.006 0.000 0.708 788 G HN 0.902 nan 8.290 nan 0.000 0.520 789 A N 0.262 123.087 122.820 0.008 0.000 2.272 789 A HA 0.805 5.125 4.320 -0.000 0.000 0.275 789 A C -0.790 176.799 177.584 0.009 0.000 1.096 789 A CA -0.567 51.475 52.037 0.009 0.000 0.822 789 A CB 0.307 19.314 19.000 0.012 0.000 1.088 789 A HN 0.375 nan 8.150 nan 0.000 0.495 790 P HA 0.142 nan 4.420 nan 0.000 0.271 790 P C -0.653 176.654 177.300 0.011 0.000 1.218 790 P CA -0.222 62.882 63.100 0.007 0.000 0.780 790 P CB 0.346 32.048 31.700 0.004 0.000 0.901 791 Q N 3.914 123.719 119.800 0.008 0.000 2.262 791 Q HA 0.069 4.408 4.340 -0.000 0.000 0.298 791 Q C -1.879 174.129 176.000 0.013 0.000 1.083 791 Q CA -0.651 55.159 55.803 0.011 0.000 0.962 791 Q CB -0.495 28.246 28.738 0.005 0.000 1.104 791 Q HN 0.298 nan 8.270 nan 0.000 0.376 792 P HA 0.148 nan 4.420 nan 0.000 0.274 792 P C -0.555 176.757 177.300 0.020 0.000 1.237 792 P CA -0.468 62.652 63.100 0.033 0.000 0.793 792 P CB 0.510 32.244 31.700 0.057 0.000 0.977 793 I N 1.700 122.279 120.570 0.015 0.000 3.115 793 I HA -0.129 4.041 4.170 -0.000 0.000 0.315 793 I C -1.873 174.262 176.117 0.031 0.000 1.211 793 I CA -0.150 61.150 61.300 -0.001 0.000 1.453 793 I CB -0.961 37.043 38.000 0.008 0.000 1.307 793 I HN 0.284 nan 8.210 nan 0.000 0.568 794 P HA 0.177 nan 4.420 nan 0.000 0.276 794 P C -0.079 177.204 177.300 -0.029 0.000 1.235 794 P CA -0.205 62.833 63.100 -0.103 0.000 0.772 794 P CB 0.777 32.334 31.700 -0.238 0.000 0.871 795 R N 1.888 122.338 120.500 -0.083 0.000 2.250 795 R HA 0.224 4.563 4.340 -0.000 0.000 0.194 795 R C 0.070 176.352 176.300 -0.030 0.000 0.927 795 R CA 0.127 56.295 56.100 0.113 0.000 1.052 795 R CB 0.006 30.413 30.300 0.178 0.000 1.055 795 R HN 0.313 nan 8.270 nan 0.000 0.537 796 L N 1.407 122.353 121.223 -0.462 0.000 2.319 796 L HA 0.481 4.821 4.340 -0.000 0.000 0.281 796 L C -1.357 175.086 176.870 -0.711 0.000 1.005 796 L CA -0.564 53.987 54.840 -0.482 0.000 0.828 796 L CB 0.891 42.517 42.059 -0.721 0.000 1.227 796 L HN -0.217 nan 8.230 nan 0.000 0.415 797 F N 4.353 124.011 119.950 -0.486 0.000 2.579 797 F HA 0.692 5.219 4.527 -0.000 0.000 0.324 797 F C -0.633 174.792 175.800 -0.625 0.000 1.058 797 F CA -0.666 57.087 58.000 -0.412 0.000 0.944 797 F CB 1.657 40.582 39.000 -0.126 0.000 1.245 797 F HN 0.174 nan 8.300 nan 0.000 0.477 798 F N 0.745 120.805 119.950 0.183 0.000 2.556 798 F HA 0.802 5.329 4.527 -0.000 0.000 0.314 798 F C 0.059 175.881 175.800 0.037 0.000 1.106 798 F CA -0.770 57.282 58.000 0.088 0.000 0.911 798 F CB 1.813 40.840 39.000 0.045 0.000 1.190 798 F HN 0.644 nan 8.300 nan 0.000 0.448 799 A N 1.336 124.263 122.820 0.179 0.000 2.504 799 A HA 0.995 5.315 4.320 -0.000 0.000 0.285 799 A C -0.302 177.251 177.584 -0.051 0.000 1.261 799 A CA -0.565 51.493 52.037 0.034 0.000 0.741 799 A CB 1.442 20.452 19.000 0.017 0.000 1.327 799 A HN 1.799 nan 8.150 nan 0.000 0.441 800 G N -0.600 108.139 108.800 -0.101 0.000 2.742 800 G HA2 0.263 4.223 3.960 -0.000 0.000 0.686 800 G HA3 0.263 4.223 3.960 -0.000 0.000 0.686 800 G C 0.382 175.152 174.900 -0.216 0.000 1.220 800 G CA 0.656 45.689 45.100 -0.111 0.000 0.783 800 G HN 1.490 nan 8.290 nan 0.000 0.646 801 E N 0.676 120.851 120.200 -0.043 0.000 2.435 801 E HA -0.389 3.961 4.350 -0.000 0.000 0.242 801 E C 1.688 178.343 176.600 0.091 0.000 1.125 801 E CA 2.741 59.161 56.400 0.033 0.000 1.067 801 E CB -0.415 29.355 29.700 0.118 0.000 0.903 801 E HN 1.062 nan 8.360 nan 0.000 0.466 802 H N -0.798 118.356 119.070 0.141 0.000 2.547 802 H HA 0.139 4.695 4.556 -0.000 0.000 0.274 802 H C 1.219 176.645 175.328 0.163 0.000 1.024 802 H CA 1.282 57.426 56.048 0.160 0.000 1.155 802 H CB -0.423 29.339 29.762 -0.001 0.000 1.344 802 H HN 0.256 nan 8.280 nan 0.000 0.598 803 T N -1.969 112.485 114.554 -0.166 0.000 3.044 803 T HA 0.255 4.604 4.350 -0.000 0.000 0.260 803 T C 0.618 175.351 174.700 0.054 0.000 1.019 803 T CA -0.374 61.677 62.100 -0.082 0.000 0.921 803 T CB -0.020 68.747 68.868 -0.169 0.000 1.053 803 T HN 0.271 nan 8.240 nan 0.000 0.533 804 I N 2.106 122.726 120.570 0.083 0.000 2.555 804 I HA 0.427 4.597 4.170 -0.000 0.000 0.275 804 I C 1.426 177.503 176.117 -0.065 0.000 1.082 804 I CA -1.197 60.114 61.300 0.018 0.000 1.167 804 I CB 0.711 38.710 38.000 -0.001 0.000 1.312 804 I HN -0.019 nan 8.210 nan 0.000 0.493 805 R N 3.480 123.930 120.500 -0.084 0.000 2.196 805 R HA -0.241 4.099 4.340 -0.000 0.000 0.259 805 R C 0.763 176.811 176.300 -0.420 0.000 1.154 805 R CA 2.349 58.289 56.100 -0.267 0.000 0.976 805 R CB 0.032 30.253 30.300 -0.133 0.000 0.888 805 R HN 0.629 nan 8.270 nan 0.000 0.453 806 N N -1.277 117.190 118.700 -0.389 0.000 2.280 806 N HA -0.002 4.738 4.740 -0.000 0.000 0.192 806 N C -0.560 174.475 175.510 -0.791 0.000 1.109 806 N CA 0.625 53.215 53.050 -0.767 0.000 0.855 806 N CB 0.649 38.420 38.487 -1.193 0.000 0.974 806 N HN 0.338 nan 8.380 nan 0.000 0.482 807 Y N -0.986 119.140 120.300 -0.289 0.000 2.779 807 Y HA 0.344 4.893 4.550 -0.000 0.000 0.271 807 Y C -2.508 173.275 175.900 -0.196 0.000 0.940 807 Y CA -1.746 56.250 58.100 -0.173 0.000 1.112 807 Y CB 0.901 39.343 38.460 -0.030 0.000 1.200 807 Y HN -0.111 nan 8.280 nan 0.000 0.643 808 P HA 0.032 nan 4.420 nan 0.000 0.271 808 P C 0.487 177.735 177.300 -0.087 0.000 1.238 808 P CA 0.798 63.839 63.100 -0.098 0.000 0.794 808 P CB 0.714 32.283 31.700 -0.219 0.000 0.959 809 A N -0.444 122.367 122.820 -0.015 0.000 2.511 809 A HA -0.081 4.239 4.320 -0.000 0.000 0.297 809 A C 0.462 177.823 177.584 -0.372 0.000 1.476 809 A CA 1.494 53.437 52.037 -0.157 0.000 0.757 809 A CB -2.584 16.310 19.000 -0.177 0.000 1.072 809 A HN 0.725 nan 8.150 nan 0.000 0.413 810 T N -5.144 109.224 114.554 -0.310 0.000 2.853 810 T HA 0.566 4.916 4.350 -0.000 0.000 0.311 810 T C 0.707 175.199 174.700 -0.348 0.000 1.307 810 T CA -0.159 61.691 62.100 -0.416 0.000 1.019 810 T CB 1.291 69.714 68.868 -0.742 0.000 1.264 810 T HN 0.827 nan 8.240 nan 0.000 0.497 811 V N 1.824 121.580 119.914 -0.262 0.000 2.295 811 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 811 V C 2.763 178.792 176.094 -0.108 0.000 1.049 811 V CA 2.381 64.581 62.300 -0.167 0.000 1.024 811 V CB -1.244 30.499 31.823 -0.133 0.000 0.648 811 V HN 1.063 nan 8.190 nan 0.000 0.447 812 H N -0.202 118.904 119.070 0.060 0.000 2.387 812 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 812 H C 2.350 177.666 175.328 -0.020 0.000 1.090 812 H CA 1.592 57.671 56.048 0.053 0.000 1.332 812 H CB -0.785 29.083 29.762 0.177 0.000 1.386 812 H HN 0.404 nan 8.280 nan 0.000 0.516 813 G N 1.039 109.674 108.800 -0.275 0.000 2.422 813 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 813 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 813 G C 1.985 176.826 174.900 -0.097 0.000 1.146 813 G CA 1.501 46.535 45.100 -0.111 0.000 0.769 813 G HN 0.647 nan 8.290 nan 0.000 0.547 814 A N 1.219 123.972 122.820 -0.112 0.000 1.832 814 A HA 0.064 4.383 4.320 -0.000 0.000 0.214 814 A C 2.360 179.897 177.584 -0.078 0.000 1.200 814 A CA 1.576 53.563 52.037 -0.082 0.000 0.610 814 A CB -0.820 18.135 19.000 -0.075 0.000 0.842 814 A HN 0.414 nan 8.150 nan 0.000 0.444 815 L N 0.034 121.213 121.223 -0.073 0.000 2.054 815 L HA -0.238 4.102 4.340 -0.000 0.000 0.220 815 L C 2.226 179.029 176.870 -0.112 0.000 1.081 815 L CA 2.366 57.163 54.840 -0.071 0.000 0.780 815 L CB -1.274 40.763 42.059 -0.037 0.000 0.893 815 L HN 0.488 nan 8.230 nan 0.000 0.438 816 L N -0.140 121.004 121.223 -0.132 0.000 2.156 816 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 816 L C 2.755 179.546 176.870 -0.133 0.000 1.095 816 L CA 1.234 55.965 54.840 -0.181 0.000 0.770 816 L CB -0.371 41.545 42.059 -0.239 0.000 0.914 816 L HN 0.484 nan 8.230 nan 0.000 0.439 817 S N -0.431 115.211 115.700 -0.096 0.000 2.368 817 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 817 S C 2.107 176.677 174.600 -0.051 0.000 1.029 817 S CA 0.876 59.038 58.200 -0.063 0.000 0.988 817 S CB -1.127 62.036 63.200 -0.062 0.000 0.838 817 S HN 0.417 nan 8.310 nan 0.000 0.462 818 G N 2.781 111.544 108.800 -0.063 0.000 2.514 818 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 818 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 818 G C 1.456 176.314 174.900 -0.071 0.000 1.198 818 G CA 1.185 46.248 45.100 -0.062 0.000 0.780 818 G HN 0.482 nan 8.290 nan 0.000 0.565 819 L N -0.083 121.082 121.223 -0.098 0.000 1.997 819 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 819 L C 2.957 179.805 176.870 -0.037 0.000 1.074 819 L CA 1.931 56.712 54.840 -0.098 0.000 0.763 819 L CB -0.639 41.312 42.059 -0.179 0.000 0.890 819 L HN 0.256 nan 8.230 nan 0.000 0.434 820 R N 0.124 120.602 120.500 -0.036 0.000 2.115 820 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 820 R C 2.300 178.630 176.300 0.050 0.000 1.133 820 R CA 1.977 58.086 56.100 0.014 0.000 0.935 820 R CB -0.118 30.180 30.300 -0.003 0.000 0.853 820 R HN 0.324 nan 8.270 nan 0.000 0.433 821 E N 0.044 120.261 120.200 0.027 0.000 2.072 821 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 821 E C 1.893 178.476 176.600 -0.027 0.000 0.985 821 E CA 1.246 57.662 56.400 0.025 0.000 0.801 821 E CB -0.350 29.366 29.700 0.026 0.000 0.750 821 E HN 0.488 nan 8.360 nan 0.000 0.452 822 A N 1.213 124.017 122.820 -0.026 0.000 1.883 822 A HA -0.116 4.203 4.320 -0.000 0.000 0.217 822 A C 2.516 180.169 177.584 0.114 0.000 1.186 822 A CA 2.091 54.122 52.037 -0.009 0.000 0.624 822 A CB -1.240 17.723 19.000 -0.063 0.000 0.822 822 A HN 0.342 nan 8.150 nan 0.000 0.444 823 G N -0.224 108.656 108.800 0.134 0.000 2.476 823 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 823 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 823 G C 1.743 176.698 174.900 0.092 0.000 1.164 823 G CA 1.445 46.617 45.100 0.119 0.000 0.768 823 G HN 0.654 nan 8.290 nan 0.000 0.560 824 R N 0.003 120.571 120.500 0.114 0.000 2.092 824 R HA 0.112 4.452 4.340 -0.000 0.000 0.231 824 R C 2.457 178.780 176.300 0.038 0.000 1.119 824 R CA 1.127 57.296 56.100 0.116 0.000 0.970 824 R CB -0.373 30.019 30.300 0.153 0.000 0.864 824 R HN 0.413 nan 8.270 nan 0.000 0.440 825 I N 0.885 121.404 120.570 -0.086 0.000 2.193 825 I HA -0.171 3.999 4.170 -0.000 0.000 0.240 825 I C 2.531 178.700 176.117 0.087 0.000 1.084 825 I CA 1.290 62.502 61.300 -0.146 0.000 1.365 825 I CB -0.348 37.422 38.000 -0.384 0.000 1.064 825 I HN 0.346 nan 8.210 nan 0.000 0.410 826 A N 0.547 123.416 122.820 0.083 0.000 1.884 826 A HA -0.324 3.995 4.320 -0.000 0.000 0.219 826 A C 1.958 179.537 177.584 -0.008 0.000 1.197 826 A CA 2.508 54.584 52.037 0.066 0.000 0.637 826 A CB -0.920 18.076 19.000 -0.006 0.000 0.827 826 A HN 0.381 nan 8.150 nan 0.000 0.450 827 D N -1.098 119.282 120.400 -0.033 0.000 2.137 827 D HA -0.222 4.418 4.640 -0.000 0.000 0.189 827 D C 2.042 178.288 176.300 -0.089 0.000 0.998 827 D CA 1.950 55.916 54.000 -0.055 0.000 0.839 827 D CB -0.615 40.187 40.800 0.004 0.000 0.962 827 D HN 0.568 nan 8.370 nan 0.000 0.446 828 Q N -0.826 118.914 119.800 -0.099 0.000 2.156 828 Q HA -0.181 4.159 4.340 -0.000 0.000 0.211 828 Q C 1.588 177.300 176.000 -0.480 0.000 0.995 828 Q CA 1.700 57.329 55.803 -0.289 0.000 0.877 828 Q CB -0.320 28.231 28.738 -0.311 0.000 0.920 828 Q HN 0.367 nan 8.270 nan 0.000 0.416 829 F N -2.228 117.715 119.950 -0.011 0.000 2.680 829 F HA 0.264 4.790 4.527 -0.000 0.000 0.290 829 F C 1.287 177.076 175.800 -0.018 0.000 1.114 829 F CA 0.048 58.044 58.000 -0.006 0.000 1.333 829 F CB 0.454 39.452 39.000 -0.004 0.000 1.091 829 F HN -0.038 nan 8.300 nan 0.000 0.606 830 L N -0.590 120.693 121.223 0.100 0.000 2.616 830 L HA 0.457 4.797 4.340 -0.000 0.000 0.229 830 L C 0.615 177.466 176.870 -0.032 0.000 1.110 830 L CA 0.201 55.060 54.840 0.032 0.000 0.884 830 L CB -0.459 41.604 42.059 0.006 0.000 1.115 830 L HN 0.140 nan 8.230 nan 0.000 0.481 831 G N 1.182 109.942 108.800 -0.066 0.000 2.981 831 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.686 831 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.686 831 G C -0.119 174.684 174.900 -0.162 0.000 1.068 831 G CA -0.434 44.599 45.100 -0.111 0.000 0.806 831 G HN 0.354 nan 8.290 nan 0.000 0.568 832 A N 4.313 126.981 122.820 -0.253 0.000 2.544 832 A HA 0.558 4.878 4.320 -0.000 0.000 0.301 832 A C 1.631 178.931 177.584 -0.473 0.000 1.368 832 A CA 0.438 52.177 52.037 -0.496 0.000 1.045 832 A CB -0.053 18.534 19.000 -0.688 0.000 1.129 832 A HN 0.808 nan 8.150 nan 0.000 0.540 833 M N 1.932 121.353 119.600 -0.299 0.000 2.319 833 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 833 M C 1.504 177.700 176.300 -0.173 0.000 1.068 833 M CA 1.566 56.765 55.300 -0.167 0.000 1.118 833 M CB -1.251 31.320 32.600 -0.048 0.000 1.395 833 M HN 0.990 nan 8.290 nan 0.000 0.435 834 Y N 0.217 120.430 120.300 -0.145 0.000 2.529 834 Y HA 0.165 4.715 4.550 -0.000 0.000 0.290 834 Y C 1.893 177.629 175.900 -0.274 0.000 1.177 834 Y CA 0.743 58.735 58.100 -0.179 0.000 1.305 834 Y CB -1.500 36.862 38.460 -0.162 0.000 1.047 834 Y HN 0.246 nan 8.280 nan 0.000 0.522 835 T N -2.411 111.855 114.554 -0.479 0.000 3.129 835 T HA 0.204 4.554 4.350 -0.000 0.000 0.251 835 T C 0.351 174.878 174.700 -0.288 0.000 1.117 835 T CA -0.066 61.785 62.100 -0.415 0.000 1.034 835 T CB -0.208 68.418 68.868 -0.402 0.000 0.968 835 T HN 0.087 nan 8.240 nan 0.000 0.526 836 L N 0.000 121.096 121.223 -0.211 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 -0.134 0.000 0.813 836 L CB 0.000 42.000 42.059 -0.098 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502