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 2x0l_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 PLYEANGQKV 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 0.000 177.201 177.300 -0.166 0.000 1.155 171 P CA 0.000 62.921 63.100 -0.299 0.000 0.800 171 P CB 0.000 31.487 31.700 -0.355 0.000 0.726 172 S N -1.329 114.301 115.700 -0.117 0.000 2.727 172 S HA 0.833 5.303 4.470 -0.000 0.000 0.278 172 S C 0.188 174.749 174.600 -0.066 0.000 1.186 172 S CA 0.851 59.009 58.200 -0.070 0.000 0.836 172 S CB 1.111 64.281 63.200 -0.052 0.000 1.186 172 S HN 1.828 nan 8.310 nan 0.000 0.499 173 G N -0.055 108.718 108.800 -0.046 0.000 2.503 173 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.235 173 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.235 173 G C 0.769 175.641 174.900 -0.046 0.000 1.179 173 G CA 0.780 45.858 45.100 -0.037 0.000 0.944 173 G HN 2.116 nan 8.290 nan 0.000 0.580 174 V N -1.688 118.194 119.914 -0.054 0.000 3.354 174 V HA 0.391 4.511 4.120 -0.000 0.000 0.258 174 V C 1.895 177.944 176.094 -0.075 0.000 1.159 174 V CA 2.386 64.627 62.300 -0.099 0.000 1.125 174 V CB 0.042 31.747 31.823 -0.196 0.000 0.774 174 V HN 0.677 nan 8.190 nan 0.000 0.464 175 E N 1.495 121.645 120.200 -0.084 0.000 2.442 175 E HA 0.152 4.502 4.350 -0.000 0.000 0.195 175 E C 2.173 178.762 176.600 -0.018 0.000 1.030 175 E CA 0.723 57.058 56.400 -0.108 0.000 0.869 175 E CB -0.078 29.372 29.700 -0.417 0.000 0.857 175 E HN 0.691 nan 8.360 nan 0.000 0.505 176 G N 1.640 110.429 108.800 -0.017 0.000 2.414 176 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.215 176 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.215 176 G C 1.717 176.699 174.900 0.137 0.000 1.188 176 G CA 0.737 45.865 45.100 0.047 0.000 0.783 176 G HN 0.332 nan 8.290 nan 0.000 0.537 177 A N 1.486 124.341 122.820 0.058 0.000 1.896 177 A HA 0.010 4.330 4.320 -0.000 0.000 0.220 177 A C 2.845 180.479 177.584 0.082 0.000 1.206 177 A CA 3.005 55.072 52.037 0.049 0.000 0.647 177 A CB -1.104 17.892 19.000 -0.007 0.000 0.828 177 A HN 1.004 nan 8.150 nan 0.000 0.455 178 A N -1.638 121.238 122.820 0.093 0.000 1.940 178 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 178 A C 2.080 179.759 177.584 0.159 0.000 1.176 178 A CA 1.757 53.864 52.037 0.117 0.000 0.631 178 A CB -0.669 18.426 19.000 0.159 0.000 0.814 178 A HN 0.854 nan 8.150 nan 0.000 0.446 179 F N 0.422 120.406 119.950 0.057 0.000 2.098 179 F HA -0.100 4.427 4.527 -0.000 0.000 0.294 179 F C 2.196 178.024 175.800 0.046 0.000 1.107 179 F CA 2.024 60.063 58.000 0.065 0.000 1.234 179 F CB -0.354 38.676 39.000 0.050 0.000 1.002 179 F HN 0.285 nan 8.300 nan 0.000 0.472 180 Q N 0.554 120.383 119.800 0.048 0.000 2.508 180 Q HA -0.041 4.299 4.340 -0.000 0.000 0.214 180 Q C 0.807 176.740 176.000 -0.111 0.000 0.979 180 Q CA 1.289 57.035 55.803 -0.095 0.000 0.911 180 Q CB -0.523 28.252 28.738 0.061 0.000 0.969 180 Q HN 0.316 nan 8.270 nan 0.000 0.504 181 S N 0.031 115.698 115.700 -0.055 0.000 2.588 181 S HA 0.281 4.751 4.470 -0.000 0.000 0.245 181 S C -0.543 174.036 174.600 -0.035 0.000 1.021 181 S CA -0.368 57.822 58.200 -0.017 0.000 1.006 181 S CB 0.114 63.347 63.200 0.054 0.000 0.830 181 S HN 0.467 nan 8.310 nan 0.000 0.468 182 R N 0.626 121.067 120.500 -0.098 0.000 3.502 182 R HA -0.183 4.157 4.340 -0.000 0.000 0.266 182 R C -0.847 175.495 176.300 0.070 0.000 1.077 182 R CA 0.629 56.724 56.100 -0.008 0.000 0.718 182 R CB -2.050 28.301 30.300 0.085 0.000 1.120 182 R HN 0.381 nan 8.270 nan 0.000 0.457 183 L N 0.315 121.578 121.223 0.068 0.000 2.354 183 L HA 0.570 4.910 4.340 -0.000 0.000 0.269 183 L C -1.994 174.950 176.870 0.123 0.000 1.005 183 L CA -2.633 52.266 54.840 0.098 0.000 0.819 183 L CB 1.779 43.888 42.059 0.083 0.000 1.311 183 L HN -0.208 nan 8.230 nan 0.000 0.423 184 P HA 0.025 nan 4.420 nan 0.000 0.271 184 P C -0.183 177.136 177.300 0.031 0.000 1.233 184 P CA -0.029 63.111 63.100 0.068 0.000 0.764 184 P CB 0.432 32.147 31.700 0.024 0.000 0.825 185 H N 1.951 121.066 119.070 0.076 0.000 2.545 185 H HA -0.071 4.485 4.556 -0.000 0.000 0.282 185 H C 0.269 175.619 175.328 0.036 0.000 1.020 185 H CA 1.382 57.458 56.048 0.046 0.000 1.243 185 H CB -0.362 29.430 29.762 0.049 0.000 1.377 185 H HN 0.301 nan 8.280 nan 0.000 0.581 186 D N -1.192 118.892 120.400 -0.528 0.000 2.582 186 D HA 0.170 4.810 4.640 -0.000 0.000 0.246 186 D C 0.264 176.483 176.300 -0.136 0.000 1.334 186 D CA -0.547 53.264 54.000 -0.316 0.000 0.805 186 D CB 0.269 40.788 40.800 -0.468 0.000 1.087 186 D HN 0.336 nan 8.370 nan 0.000 0.499 187 R N -0.072 120.379 120.500 -0.082 0.000 2.740 187 R HA 0.553 4.893 4.340 -0.000 0.000 0.273 187 R C -1.079 175.243 176.300 0.037 0.000 0.998 187 R CA -0.777 55.314 56.100 -0.015 0.000 0.900 187 R CB 1.647 31.934 30.300 -0.023 0.000 1.223 187 R HN -0.015 nan 8.270 nan 0.000 0.466 188 M N 2.633 122.265 119.600 0.054 0.000 2.211 188 M HA 0.176 4.655 4.480 -0.000 0.000 0.356 188 M C 0.447 176.777 176.300 0.049 0.000 1.216 188 M CA -0.240 55.106 55.300 0.076 0.000 1.134 188 M CB 1.565 34.162 32.600 -0.005 0.000 1.564 188 M HN 0.712 nan 8.290 nan 0.000 0.463 189 T N -0.789 113.808 114.554 0.072 0.000 2.828 189 T HA 0.141 4.491 4.350 -0.000 0.000 0.290 189 T C 1.125 175.857 174.700 0.053 0.000 1.019 189 T CA -0.692 61.450 62.100 0.069 0.000 1.031 189 T CB 1.310 70.235 68.868 0.096 0.000 1.001 189 T HN 0.670 nan 8.240 nan 0.000 0.531 190 S N -0.025 115.705 115.700 0.050 0.000 2.374 190 S HA -0.237 4.233 4.470 -0.000 0.000 0.227 190 S C 2.094 176.727 174.600 0.055 0.000 1.037 190 S CA 2.030 60.255 58.200 0.041 0.000 1.024 190 S CB -0.747 62.474 63.200 0.036 0.000 0.861 190 S HN 0.907 nan 8.310 nan 0.000 0.456 191 Q N 0.539 120.385 119.800 0.076 0.000 2.084 191 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 191 Q C 1.830 177.920 176.000 0.149 0.000 0.978 191 Q CA 1.971 57.836 55.803 0.104 0.000 0.844 191 Q CB -0.286 28.504 28.738 0.086 0.000 0.898 191 Q HN 0.652 nan 8.270 nan 0.000 0.426 192 E N 0.330 120.600 120.200 0.117 0.000 2.051 192 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 192 E C 2.054 178.693 176.600 0.064 0.000 0.991 192 E CA 0.946 57.370 56.400 0.040 0.000 0.799 192 E CB -0.262 29.432 29.700 -0.011 0.000 0.748 192 E HN 0.551 nan 8.360 nan 0.000 0.449 193 A N 1.394 124.219 122.820 0.010 0.000 2.032 193 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 193 A C 2.317 179.914 177.584 0.021 0.000 1.165 193 A CA 1.777 53.810 52.037 -0.007 0.000 0.645 193 A CB -0.539 18.454 19.000 -0.010 0.000 0.807 193 A HN 0.305 nan 8.150 nan 0.000 0.453 194 A N -1.189 121.658 122.820 0.045 0.000 1.898 194 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 194 A C 2.084 179.676 177.584 0.013 0.000 1.183 194 A CA 1.445 53.504 52.037 0.036 0.000 0.622 194 A CB -0.996 18.039 19.000 0.059 0.000 0.824 194 A HN 0.655 nan 8.150 nan 0.000 0.444 195 C N -1.746 117.567 119.300 0.022 0.000 2.539 195 C HA 0.303 4.763 4.460 -0.000 0.000 0.271 195 C C 0.330 174.980 174.990 -0.567 0.000 1.412 195 C CA -0.117 58.784 59.018 -0.196 0.000 1.729 195 C CB -1.947 25.702 27.740 -0.151 0.000 1.739 195 C HN 0.471 nan 8.230 nan 0.000 0.570 196 F N 0.161 120.047 119.950 -0.107 0.000 2.520 196 F HA 0.248 4.775 4.527 -0.000 0.000 0.371 196 F C -1.517 174.179 175.800 -0.173 0.000 1.540 196 F CA -1.288 56.605 58.000 -0.178 0.000 1.091 196 F CB 0.206 38.967 39.000 -0.398 0.000 1.488 196 F HN -0.049 nan 8.300 nan 0.000 0.538 197 P HA -0.165 nan 4.420 nan 0.000 0.220 197 P C 1.209 178.504 177.300 -0.009 0.000 1.148 197 P CA 1.558 64.652 63.100 -0.010 0.000 0.803 197 P CB 0.193 31.882 31.700 -0.018 0.000 0.782 198 D N 0.812 121.217 120.400 0.008 0.000 2.106 198 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 198 D C 2.091 178.392 176.300 0.001 0.000 0.997 198 D CA 1.157 55.165 54.000 0.013 0.000 0.834 198 D CB -1.060 39.760 40.800 0.033 0.000 0.956 198 D HN 0.213 nan 8.370 nan 0.000 0.448 199 I N 0.740 121.303 120.570 -0.010 0.000 2.090 199 I HA -0.205 3.965 4.170 -0.000 0.000 0.236 199 I C 2.912 178.970 176.117 -0.099 0.000 1.064 199 I CA 0.773 62.027 61.300 -0.077 0.000 1.324 199 I CB -0.241 37.629 38.000 -0.217 0.000 1.044 199 I HN -0.039 nan 8.210 nan 0.000 0.399 200 I N 0.899 121.385 120.570 -0.140 0.000 2.423 200 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 200 I C 2.432 178.516 176.117 -0.055 0.000 1.151 200 I CA 1.826 63.059 61.300 -0.112 0.000 1.421 200 I CB -0.036 37.890 38.000 -0.123 0.000 1.079 200 I HN 0.367 nan 8.210 nan 0.000 0.431 201 S N -0.673 115.004 115.700 -0.039 0.000 2.528 201 S HA 0.126 4.596 4.470 -0.000 0.000 0.219 201 S C 1.114 175.705 174.600 -0.015 0.000 0.985 201 S CA 0.065 58.252 58.200 -0.022 0.000 0.914 201 S CB -0.265 62.925 63.200 -0.017 0.000 0.776 201 S HN 0.368 nan 8.310 nan 0.000 0.526 202 G N 2.414 111.205 108.800 -0.016 0.000 2.525 202 G HA2 0.546 4.506 3.960 -0.000 0.000 0.287 202 G HA3 0.546 4.506 3.960 -0.000 0.000 0.287 202 G C -2.753 172.146 174.900 -0.001 0.000 1.350 202 G CA -1.774 43.323 45.100 -0.005 0.000 1.039 202 G HN 0.259 nan 8.290 nan 0.000 0.513 203 P HA 0.091 nan 4.420 nan 0.000 0.271 203 P C 0.359 177.670 177.300 0.019 0.000 1.216 203 P CA -0.205 62.903 63.100 0.012 0.000 0.776 203 P CB 1.165 32.875 31.700 0.016 0.000 0.881 204 Q N 1.315 121.126 119.800 0.020 0.000 2.248 204 Q HA -0.237 4.103 4.340 -0.000 0.000 0.208 204 Q C 1.816 177.843 176.000 0.044 0.000 0.984 204 Q CA 1.798 57.618 55.803 0.028 0.000 0.875 204 Q CB -0.354 28.399 28.738 0.024 0.000 0.910 204 Q HN 0.525 nan 8.270 nan 0.000 0.433 205 Q N 0.391 120.216 119.800 0.043 0.000 2.046 205 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 205 Q C 1.879 177.928 176.000 0.081 0.000 0.975 205 Q CA 2.454 58.290 55.803 0.055 0.000 0.836 205 Q CB -0.555 28.206 28.738 0.038 0.000 0.896 205 Q HN 0.511 nan 8.270 nan 0.000 0.428 206 T N -0.812 113.786 114.554 0.074 0.000 2.746 206 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 206 T C 1.762 176.541 174.700 0.132 0.000 1.039 206 T CA 1.355 63.514 62.100 0.099 0.000 1.142 206 T CB -0.425 68.487 68.868 0.072 0.000 0.866 206 T HN 0.394 nan 8.240 nan 0.000 0.444 207 Q N 1.443 121.300 119.800 0.095 0.000 2.062 207 Q HA -0.193 4.147 4.340 -0.000 0.000 0.209 207 Q C 2.446 178.563 176.000 0.196 0.000 0.996 207 Q CA 1.742 57.617 55.803 0.120 0.000 0.859 207 Q CB -0.371 28.404 28.738 0.060 0.000 0.920 207 Q HN 0.599 nan 8.270 nan 0.000 0.415 208 K N 0.201 120.693 120.400 0.154 0.000 2.147 208 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 208 K C 2.149 178.877 176.600 0.213 0.000 1.049 208 K CA 1.368 57.753 56.287 0.164 0.000 0.936 208 K CB -0.108 32.477 32.500 0.142 0.000 0.722 208 K HN 0.066 nan 8.250 nan 0.000 0.446 209 V N 1.306 121.373 119.914 0.255 0.000 2.307 209 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 209 V C 2.022 178.251 176.094 0.225 0.000 1.045 209 V CA 1.667 64.173 62.300 0.343 0.000 1.024 209 V CB -0.643 31.372 31.823 0.319 0.000 0.651 209 V HN 0.202 nan 8.190 nan 0.000 0.449 210 F N 1.002 120.977 119.950 0.041 0.000 2.046 210 F HA -0.219 4.308 4.527 -0.000 0.000 0.297 210 F C 2.102 177.844 175.800 -0.097 0.000 1.123 210 F CA 1.900 59.850 58.000 -0.083 0.000 1.199 210 F CB -0.559 38.329 39.000 -0.188 0.000 0.972 210 F HN 0.013 nan 8.300 nan 0.000 0.474 211 L N -0.833 120.316 121.223 -0.122 0.000 2.043 211 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 211 L C 2.477 179.202 176.870 -0.241 0.000 1.075 211 L CA 1.844 56.553 54.840 -0.218 0.000 0.752 211 L CB -0.973 41.107 42.059 0.035 0.000 0.891 211 L HN 0.294 nan 8.230 nan 0.000 0.432 212 F N 0.507 120.301 119.950 -0.259 0.000 2.146 212 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 212 F C 2.255 177.828 175.800 -0.378 0.000 1.096 212 F CA 1.381 59.166 58.000 -0.359 0.000 1.275 212 F CB -0.073 38.541 39.000 -0.643 0.000 1.008 212 F HN -0.104 nan 8.300 nan 0.000 0.480 213 I N 0.066 120.456 120.570 -0.300 0.000 2.142 213 I HA -0.300 3.870 4.170 -0.000 0.000 0.240 213 I C 2.727 178.617 176.117 -0.379 0.000 1.078 213 I CA 1.399 62.538 61.300 -0.269 0.000 1.343 213 I CB -0.757 37.194 38.000 -0.082 0.000 1.046 213 I HN 0.091 nan 8.210 nan 0.000 0.405 214 R N 1.603 121.792 120.500 -0.519 0.000 2.115 214 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 214 R C 2.026 178.125 176.300 -0.336 0.000 1.133 214 R CA 2.492 58.304 56.100 -0.479 0.000 0.935 214 R CB -0.637 29.220 30.300 -0.738 0.000 0.853 214 R HN 0.386 nan 8.270 nan 0.000 0.433 215 N N 0.474 118.946 118.700 -0.380 0.000 2.104 215 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 215 N C 1.872 177.165 175.510 -0.363 0.000 1.024 215 N CA 1.325 54.190 53.050 -0.308 0.000 0.853 215 N CB -0.462 37.866 38.487 -0.265 0.000 1.008 215 N HN 0.193 nan 8.380 nan 0.000 0.424 216 R N 0.826 120.973 120.500 -0.588 0.000 2.075 216 R HA 0.034 4.374 4.340 -0.000 0.000 0.232 216 R C 1.874 178.034 176.300 -0.233 0.000 1.126 216 R CA 1.675 57.466 56.100 -0.515 0.000 0.963 216 R CB -0.992 28.861 30.300 -0.745 0.000 0.858 216 R HN 0.205 nan 8.270 nan 0.000 0.435 217 T N 1.331 115.777 114.554 -0.180 0.000 2.746 217 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 217 T C 1.866 176.571 174.700 0.008 0.000 1.039 217 T CA 1.545 63.617 62.100 -0.046 0.000 1.142 217 T CB -0.330 68.530 68.868 -0.013 0.000 0.866 217 T HN 0.124 nan 8.240 nan 0.000 0.444 218 L N 0.861 122.071 121.223 -0.021 0.000 1.971 218 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 218 L C 3.042 179.951 176.870 0.066 0.000 1.072 218 L CA 1.941 56.818 54.840 0.061 0.000 0.758 218 L CB -0.685 41.386 42.059 0.020 0.000 0.889 218 L HN 0.343 nan 8.230 nan 0.000 0.433 219 Q N 0.216 120.002 119.800 -0.022 0.000 2.045 219 Q HA -0.271 4.069 4.340 -0.000 0.000 0.206 219 Q C 2.367 178.349 176.000 -0.030 0.000 0.991 219 Q CA 1.978 57.756 55.803 -0.042 0.000 0.851 219 Q CB -0.235 28.454 28.738 -0.081 0.000 0.911 219 Q HN 0.445 nan 8.270 nan 0.000 0.418 220 L N 0.127 121.345 121.223 -0.008 0.000 1.990 220 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 220 L C 2.436 179.339 176.870 0.055 0.000 1.072 220 L CA 2.100 56.951 54.840 0.018 0.000 0.755 220 L CB -0.796 41.285 42.059 0.037 0.000 0.889 220 L HN 0.580 nan 8.230 nan 0.000 0.432 221 W N 0.507 121.761 121.300 -0.077 0.000 2.355 221 W HA -0.232 4.428 4.660 -0.000 0.000 0.309 221 W C 2.096 178.548 176.519 -0.112 0.000 1.206 221 W CA 1.385 58.667 57.345 -0.106 0.000 1.284 221 W CB -0.270 29.113 29.460 -0.128 0.000 1.145 221 W HN 0.118 nan 8.180 nan 0.000 0.502 222 L N 1.004 122.034 121.223 -0.322 0.000 2.046 222 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 222 L C 2.174 178.819 176.870 -0.374 0.000 1.077 222 L CA 1.746 56.308 54.840 -0.464 0.000 0.747 222 L CB -1.112 40.833 42.059 -0.189 0.000 0.896 222 L HN -0.145 nan 8.230 nan 0.000 0.432 223 D N -0.073 120.194 120.400 -0.222 0.000 2.357 223 D HA -0.144 4.496 4.640 -0.000 0.000 0.216 223 D C 0.490 176.672 176.300 -0.197 0.000 0.973 223 D CA 1.062 54.962 54.000 -0.166 0.000 0.912 223 D CB -0.240 40.502 40.800 -0.098 0.000 0.900 223 D HN 0.172 nan 8.370 nan 0.000 0.501 224 N N -1.163 117.360 118.700 -0.295 0.000 2.969 224 N HA 0.083 4.823 4.740 -0.000 0.000 0.230 224 N C -2.712 172.518 175.510 -0.467 0.000 1.397 224 N CA -0.952 51.930 53.050 -0.280 0.000 0.762 224 N CB 1.233 39.638 38.487 -0.137 0.000 1.495 224 N HN -0.221 nan 8.380 nan 0.000 0.583 225 P HA 0.274 nan 4.420 nan 0.000 0.269 225 P C 0.408 177.444 177.300 -0.441 0.000 1.478 225 P CA 0.091 62.471 63.100 -1.200 0.000 1.045 225 P CB 0.425 31.279 31.700 -1.411 0.000 1.512 226 K N 0.426 120.714 120.400 -0.187 0.000 2.404 226 K HA 0.206 4.526 4.320 -0.000 0.000 0.194 226 K C 0.963 177.633 176.600 0.116 0.000 1.023 226 K CA 0.278 56.563 56.287 -0.002 0.000 1.094 226 K CB 0.329 32.813 32.500 -0.027 0.000 0.841 226 K HN 0.356 nan 8.250 nan 0.000 0.523 227 I N -1.956 118.696 120.570 0.137 0.000 2.647 227 I HA 0.273 4.443 4.170 -0.000 0.000 0.295 227 I C -0.496 175.790 176.117 0.282 0.000 1.078 227 I CA -1.149 60.272 61.300 0.201 0.000 1.048 227 I CB 1.871 39.939 38.000 0.113 0.000 1.239 227 I HN -0.172 nan 8.210 nan 0.000 0.421 228 Q N 3.830 123.823 119.800 0.321 0.000 2.315 228 Q HA 0.180 4.520 4.340 -0.000 0.000 0.289 228 Q C -1.397 174.698 176.000 0.159 0.000 1.044 228 Q CA -0.159 55.770 55.803 0.209 0.000 0.920 228 Q CB 1.191 30.116 28.738 0.312 0.000 1.214 228 Q HN 0.740 nan 8.270 nan 0.000 0.392 229 L N 4.798 126.090 121.223 0.114 0.000 2.276 229 L HA 0.359 4.699 4.340 -0.000 0.000 0.286 229 L C -0.318 176.710 176.870 0.263 0.000 1.024 229 L CA -0.077 54.868 54.840 0.175 0.000 0.826 229 L CB 1.350 43.539 42.059 0.217 0.000 1.211 229 L HN 0.801 nan 8.230 nan 0.000 0.422 230 T N 0.868 115.514 114.554 0.154 0.000 2.881 230 T HA 0.208 4.558 4.350 -0.000 0.000 0.278 230 T C 0.955 175.518 174.700 -0.228 0.000 0.982 230 T CA -0.291 61.837 62.100 0.047 0.000 0.989 230 T CB 0.663 69.558 68.868 0.044 0.000 1.058 230 T HN 0.462 nan 8.240 nan 0.000 0.529 231 F N 1.328 120.887 119.950 -0.652 0.000 2.134 231 F HA 0.023 4.550 4.527 -0.000 0.000 0.299 231 F C 2.070 177.770 175.800 -0.167 0.000 1.097 231 F CA 1.684 59.332 58.000 -0.587 0.000 1.264 231 F CB -0.618 38.194 39.000 -0.314 0.000 1.001 231 F HN 0.693 nan 8.300 nan 0.000 0.479 232 E N 0.834 120.839 120.200 -0.326 0.000 2.023 232 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 232 E C 2.429 178.878 176.600 -0.252 0.000 1.003 232 E CA 1.705 57.907 56.400 -0.330 0.000 0.809 232 E CB -1.010 28.631 29.700 -0.098 0.000 0.755 232 E HN 0.435 nan 8.360 nan 0.000 0.449 233 A N 0.259 123.002 122.820 -0.129 0.000 1.948 233 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 233 A C 2.356 179.897 177.584 -0.072 0.000 1.177 233 A CA 2.323 54.321 52.037 -0.064 0.000 0.636 233 A CB -1.139 17.860 19.000 -0.001 0.000 0.815 233 A HN 0.307 nan 8.150 nan 0.000 0.449 234 T N -0.097 114.395 114.554 -0.104 0.000 2.668 234 T HA -0.122 4.228 4.350 -0.000 0.000 0.262 234 T C 1.849 176.485 174.700 -0.107 0.000 1.045 234 T CA 1.452 63.518 62.100 -0.057 0.000 1.152 234 T CB -0.453 68.424 68.868 0.014 0.000 0.864 234 T HN 0.292 nan 8.240 nan 0.000 0.419 235 L N 1.745 122.808 121.223 -0.267 0.000 2.013 235 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 235 L C 2.600 179.401 176.870 -0.115 0.000 1.073 235 L CA 2.060 56.760 54.840 -0.233 0.000 0.753 235 L CB -1.317 40.462 42.059 -0.468 0.000 0.890 235 L HN 0.275 nan 8.230 nan 0.000 0.432 236 Q N -0.108 119.617 119.800 -0.125 0.000 2.142 236 Q HA -0.315 4.025 4.340 -0.000 0.000 0.213 236 Q C 2.084 178.071 176.000 -0.021 0.000 1.004 236 Q CA 2.491 58.257 55.803 -0.062 0.000 0.883 236 Q CB -0.530 28.173 28.738 -0.058 0.000 0.939 236 Q HN 0.645 nan 8.270 nan 0.000 0.413 237 Q N -0.798 118.995 119.800 -0.012 0.000 2.365 237 Q HA 0.312 4.652 4.340 -0.000 0.000 0.203 237 Q C -0.591 175.442 176.000 0.056 0.000 0.929 237 Q CA -0.088 55.727 55.803 0.019 0.000 0.948 237 Q CB 0.349 29.097 28.738 0.016 0.000 1.043 237 Q HN 0.324 nan 8.270 nan 0.000 0.505 238 L N 0.680 121.943 121.223 0.067 0.000 2.375 238 L HA 0.327 4.667 4.340 -0.000 0.000 0.268 238 L C 0.270 177.221 176.870 0.135 0.000 1.058 238 L CA -0.509 54.416 54.840 0.141 0.000 0.803 238 L CB 1.230 43.388 42.059 0.164 0.000 1.212 238 L HN 0.083 nan 8.230 nan 0.000 0.451 239 E N 0.852 121.165 120.200 0.189 0.000 2.299 239 E HA 0.644 4.994 4.350 -0.000 0.000 0.260 239 E C -0.854 175.798 176.600 0.085 0.000 0.944 239 E CA -1.147 55.322 56.400 0.114 0.000 0.815 239 E CB 1.445 31.199 29.700 0.089 0.000 1.252 239 E HN 0.557 nan 8.360 nan 0.000 0.418 240 A N 1.729 124.545 122.820 -0.008 0.000 2.406 240 A HA 0.228 4.548 4.320 -0.000 0.000 0.243 240 A C -1.480 175.935 177.584 -0.280 0.000 1.082 240 A CA -0.895 51.082 52.037 -0.100 0.000 0.786 240 A CB -0.392 18.560 19.000 -0.080 0.000 1.029 240 A HN 0.470 nan 8.150 nan 0.000 0.495 241 P HA -0.002 nan 4.420 nan 0.000 0.249 241 P C 0.095 177.232 177.300 -0.271 0.000 1.241 241 P CA 0.837 63.714 63.100 -0.371 0.000 0.781 241 P CB -0.036 31.418 31.700 -0.411 0.000 1.088 242 Y N 1.879 122.190 120.300 0.018 0.000 2.201 242 Y HA -0.065 4.485 4.550 -0.000 0.000 0.292 242 Y C 2.248 178.207 175.900 0.099 0.000 1.119 242 Y CA 1.209 59.358 58.100 0.083 0.000 1.127 242 Y CB -1.522 37.029 38.460 0.153 0.000 1.019 242 Y HN 0.082 nan 8.280 nan 0.000 0.514 243 N N 0.596 119.427 118.700 0.218 0.000 2.575 243 N HA -0.089 4.651 4.740 -0.000 0.000 0.192 243 N C 1.310 176.880 175.510 0.101 0.000 1.200 243 N CA 0.870 54.006 53.050 0.144 0.000 0.897 243 N CB -0.529 38.018 38.487 0.101 0.000 0.990 243 N HN 0.386 nan 8.380 nan 0.000 0.449 244 S N 0.088 115.838 115.700 0.083 0.000 2.326 244 S HA -0.159 4.311 4.470 -0.000 0.000 0.211 244 S C 0.635 175.287 174.600 0.087 0.000 1.031 244 S CA 0.529 58.763 58.200 0.058 0.000 0.985 244 S CB -0.830 62.381 63.200 0.019 0.000 0.961 244 S HN 0.294 nan 8.310 nan 0.000 0.436 245 D N 1.689 122.153 120.400 0.107 0.000 2.382 245 D HA 0.173 4.813 4.640 -0.000 0.000 0.259 245 D C 1.150 177.554 176.300 0.174 0.000 1.224 245 D CA 0.746 54.823 54.000 0.127 0.000 0.894 245 D CB 1.387 42.266 40.800 0.131 0.000 1.127 245 D HN 0.554 nan 8.370 nan 0.000 0.487 246 T N -0.079 114.581 114.554 0.178 0.000 3.037 246 T HA -0.027 4.323 4.350 -0.000 0.000 0.252 246 T C 1.943 176.813 174.700 0.284 0.000 1.073 246 T CA 0.704 62.962 62.100 0.263 0.000 1.091 246 T CB -0.366 68.662 68.868 0.266 0.000 0.935 246 T HN 0.200 nan 8.240 nan 0.000 0.488 247 V N 1.176 121.203 119.914 0.187 0.000 2.233 247 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 247 V C 2.495 178.731 176.094 0.237 0.000 1.050 247 V CA 1.442 63.842 62.300 0.166 0.000 1.010 247 V CB -1.627 30.265 31.823 0.116 0.000 0.637 247 V HN 0.350 nan 8.190 nan 0.000 0.444 248 L N 0.181 121.548 121.223 0.241 0.000 1.951 248 L HA -0.206 4.134 4.340 -0.000 0.000 0.222 248 L C 2.575 179.637 176.870 0.320 0.000 1.078 248 L CA 2.453 57.463 54.840 0.284 0.000 0.778 248 L CB -0.724 41.483 42.059 0.247 0.000 0.893 248 L HN 0.182 nan 8.230 nan 0.000 0.436 249 V N -0.862 119.253 119.914 0.335 0.000 2.363 249 V HA -0.420 3.700 4.120 -0.000 0.000 0.254 249 V C 2.460 178.876 176.094 0.538 0.000 1.074 249 V CA 2.314 64.862 62.300 0.413 0.000 1.069 249 V CB -0.920 31.155 31.823 0.419 0.000 0.659 249 V HN 0.685 nan 8.190 nan 0.000 0.455 250 H N 0.138 119.389 119.070 0.301 0.000 2.326 250 H HA -0.085 4.471 4.556 -0.000 0.000 0.301 250 H C 2.480 177.844 175.328 0.061 0.000 1.081 250 H CA 1.982 57.898 56.048 -0.220 0.000 1.334 250 H CB -0.035 29.302 29.762 -0.708 0.000 1.385 250 H HN 0.317 nan 8.280 nan 0.000 0.504 251 R N -0.481 120.150 120.500 0.219 0.000 2.083 251 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 251 R C 2.439 178.993 176.300 0.423 0.000 1.137 251 R CA 1.599 57.885 56.100 0.311 0.000 0.951 251 R CB -0.582 29.992 30.300 0.456 0.000 0.851 251 R HN 0.185 nan 8.270 nan 0.000 0.434 252 V N 0.632 120.809 119.914 0.438 0.000 2.261 252 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 252 V C 2.470 178.717 176.094 0.255 0.000 1.047 252 V CA 2.070 64.576 62.300 0.342 0.000 1.015 252 V CB -0.805 31.083 31.823 0.109 0.000 0.642 252 V HN 0.475 nan 8.190 nan 0.000 0.446 253 H N 0.070 119.219 119.070 0.131 0.000 2.387 253 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 253 H C 2.382 177.693 175.328 -0.027 0.000 1.099 253 H CA 2.124 58.216 56.048 0.073 0.000 1.315 253 H CB 0.066 29.931 29.762 0.172 0.000 1.380 253 H HN 0.436 nan 8.280 nan 0.000 0.513 254 S N -0.054 115.658 115.700 0.021 0.000 2.357 254 S HA -0.147 4.323 4.470 -0.000 0.000 0.221 254 S C 1.936 176.387 174.600 -0.249 0.000 1.031 254 S CA 0.987 59.129 58.200 -0.097 0.000 0.982 254 S CB -0.722 62.424 63.200 -0.090 0.000 0.853 254 S HN 0.598 nan 8.310 nan 0.000 0.458 255 Y N 2.734 122.785 120.300 -0.415 0.000 2.069 255 Y HA -0.239 4.311 4.550 -0.000 0.000 0.278 255 Y C 1.880 177.667 175.900 -0.189 0.000 1.175 255 Y CA 1.622 59.404 58.100 -0.530 0.000 1.134 255 Y CB -0.584 37.814 38.460 -0.103 0.000 0.965 255 Y HN 0.141 nan 8.280 nan 0.000 0.498 256 L N 0.097 121.255 121.223 -0.109 0.000 2.083 256 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 256 L C 2.600 179.270 176.870 -0.334 0.000 1.083 256 L CA 1.971 56.669 54.840 -0.238 0.000 0.752 256 L CB -0.662 41.313 42.059 -0.140 0.000 0.899 256 L HN 0.371 nan 8.230 nan 0.000 0.433 257 E N 0.352 120.322 120.200 -0.382 0.000 2.107 257 E HA -0.243 4.107 4.350 -0.000 0.000 0.191 257 E C 2.265 178.733 176.600 -0.219 0.000 0.982 257 E CA 0.662 56.863 56.400 -0.332 0.000 0.809 257 E CB 0.198 29.700 29.700 -0.329 0.000 0.756 257 E HN 0.184 nan 8.360 nan 0.000 0.459 258 R N -0.011 120.266 120.500 -0.371 0.000 2.115 258 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 258 R C 0.796 176.825 176.300 -0.452 0.000 1.100 258 R CA 1.674 57.457 56.100 -0.528 0.000 0.980 258 R CB -0.334 29.592 30.300 -0.623 0.000 0.875 258 R HN 0.228 nan 8.270 nan 0.000 0.445 259 H N -1.194 117.696 119.070 -0.301 0.000 2.507 259 H HA 0.366 4.922 4.556 -0.000 0.000 0.294 259 H C 0.672 175.889 175.328 -0.185 0.000 1.064 259 H CA 0.402 56.302 56.048 -0.247 0.000 1.138 259 H CB 0.671 30.180 29.762 -0.422 0.000 1.515 259 H HN 0.436 nan 8.280 nan 0.000 0.547 260 G N 0.793 109.567 108.800 -0.044 0.000 2.168 260 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 260 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 260 G C 1.004 175.902 174.900 -0.003 0.000 0.997 260 G CA 0.665 45.754 45.100 -0.019 0.000 0.708 260 G HN 0.487 nan 8.290 nan 0.000 0.520 261 L N -0.502 120.682 121.223 -0.065 0.000 2.240 261 L HA 0.288 4.628 4.340 -0.000 0.000 0.211 261 L C 1.689 178.529 176.870 -0.051 0.000 1.106 261 L CA 1.288 56.129 54.840 0.002 0.000 0.793 261 L CB -0.172 41.855 42.059 -0.053 0.000 0.927 261 L HN 0.627 nan 8.230 nan 0.000 0.446 262 I N -4.618 115.705 120.570 -0.411 0.000 2.785 262 I HA 0.375 4.545 4.170 -0.000 0.000 0.302 262 I C -0.742 174.569 176.117 -1.342 0.000 1.069 262 I CA -0.967 59.595 61.300 -1.231 0.000 1.045 262 I CB 1.827 39.330 38.000 -0.828 0.000 1.236 262 I HN 0.017 nan 8.210 nan 0.000 0.429 263 N N 3.150 120.337 118.700 -2.520 0.000 2.671 263 N HA -0.223 4.517 4.740 -0.000 0.000 0.261 263 N C -1.121 173.846 175.510 -0.905 0.000 1.053 263 N CA 1.123 53.006 53.050 -1.944 0.000 0.732 263 N CB -1.328 36.426 38.487 -1.223 0.000 0.887 263 N HN 0.721 nan 8.380 nan 0.000 0.546 264 F N -2.305 117.326 119.950 -0.532 0.000 2.579 264 F HA 0.867 5.394 4.527 -0.000 0.000 0.324 264 F C 1.019 176.970 175.800 0.251 0.000 1.058 264 F CA 0.077 58.062 58.000 -0.026 0.000 0.944 264 F CB 1.276 40.248 39.000 -0.048 0.000 1.245 264 F HN 0.311 nan 8.300 nan 0.000 0.477 265 G N 1.552 110.635 108.800 0.472 0.000 2.503 265 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.235 265 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.235 265 G C -1.268 173.804 174.900 0.287 0.000 1.179 265 G CA -0.322 44.992 45.100 0.358 0.000 0.944 265 G HN 0.952 nan 8.290 nan 0.000 0.580 266 I N 2.198 122.912 120.570 0.240 0.000 2.428 266 I HA 0.557 4.727 4.170 -0.000 0.000 0.279 266 I C -0.302 175.932 176.117 0.196 0.000 1.040 266 I CA -0.677 60.693 61.300 0.117 0.000 1.171 266 I CB 0.862 38.899 38.000 0.062 0.000 1.312 266 I HN 0.636 nan 8.210 nan 0.000 0.470 267 Y N 3.352 123.690 120.300 0.063 0.000 2.576 267 Y HA 0.591 5.141 4.550 -0.000 0.000 0.346 267 Y C -0.411 175.523 175.900 0.056 0.000 1.018 267 Y CA -1.749 56.400 58.100 0.082 0.000 1.050 267 Y CB 0.797 39.360 38.460 0.171 0.000 1.280 267 Y HN 0.134 nan 8.280 nan 0.000 0.474 268 K N 2.694 123.191 120.400 0.163 0.000 2.383 268 K HA 0.160 4.480 4.320 -0.000 0.000 0.286 268 K C -0.258 176.438 176.600 0.159 0.000 1.051 268 K CA -0.228 56.111 56.287 0.087 0.000 0.974 268 K CB 0.616 33.167 32.500 0.084 0.000 0.968 268 K HN 0.823 nan 8.250 nan 0.000 0.475 269 R N 3.555 124.090 120.500 0.057 0.000 2.490 269 R HA 0.100 4.440 4.340 -0.000 0.000 0.280 269 R C 1.122 177.485 176.300 0.105 0.000 1.077 269 R CA 0.080 56.246 56.100 0.110 0.000 1.065 269 R CB 0.510 30.828 30.300 0.029 0.000 1.003 269 R HN 0.630 nan 8.270 nan 0.000 0.470 270 I N 2.515 123.160 120.570 0.125 0.000 2.628 270 I HA -0.035 4.135 4.170 -0.000 0.000 0.255 270 I C 0.356 176.519 176.117 0.075 0.000 1.119 270 I CA 0.593 61.948 61.300 0.091 0.000 1.448 270 I CB 0.107 38.162 38.000 0.092 0.000 1.133 270 I HN 0.419 nan 8.210 nan 0.000 0.438 271 K N 2.936 123.389 120.400 0.088 0.000 2.180 271 K HA 0.315 4.635 4.320 -0.000 0.000 0.250 271 K C -2.350 174.288 176.600 0.063 0.000 1.135 271 K CA -1.597 54.735 56.287 0.075 0.000 1.037 271 K CB -0.088 32.465 32.500 0.088 0.000 1.624 271 K HN -0.005 nan 8.250 nan 0.000 0.382 272 P HA -0.097 nan 4.420 nan 0.000 0.267 272 P C -0.080 177.239 177.300 0.031 0.000 1.201 272 P CA -0.097 63.021 63.100 0.030 0.000 0.775 272 P CB 0.539 32.252 31.700 0.021 0.000 0.854 273 L N 4.410 125.646 121.223 0.022 0.000 2.654 273 L HA 0.046 4.386 4.340 -0.000 0.000 0.271 273 L C -1.473 175.413 176.870 0.027 0.000 1.169 273 L CA -1.324 53.532 54.840 0.026 0.000 0.947 273 L CB -0.800 41.266 42.059 0.011 0.000 1.232 273 L HN 0.339 nan 8.230 nan 0.000 0.486 274 P HA -0.152 nan 4.420 nan 0.000 0.261 274 P C 0.670 177.986 177.300 0.026 0.000 1.140 274 P CA 0.568 63.689 63.100 0.034 0.000 0.757 274 P CB 0.600 32.326 31.700 0.044 0.000 0.735 275 T N 2.154 116.721 114.554 0.022 0.000 2.894 275 T HA 0.000 4.350 4.350 -0.000 0.000 0.258 275 T C 0.682 175.390 174.700 0.013 0.000 1.043 275 T CA 0.926 63.035 62.100 0.016 0.000 1.141 275 T CB 0.027 68.903 68.868 0.014 0.000 0.873 275 T HN 0.220 nan 8.240 nan 0.000 0.449 276 K N 0.959 121.368 120.400 0.016 0.000 2.123 276 K HA 0.515 4.835 4.320 -0.000 0.000 0.259 276 K C -1.022 175.589 176.600 0.018 0.000 0.960 276 K CA -0.612 55.684 56.287 0.014 0.000 0.872 276 K CB 1.154 33.663 32.500 0.014 0.000 1.079 276 K HN 0.051 nan 8.250 nan 0.000 0.440 277 K N 0.591 121.000 120.400 0.016 0.000 2.208 277 K HA 0.421 4.741 4.320 -0.000 0.000 0.247 277 K C -1.086 175.526 176.600 0.021 0.000 0.953 277 K CA -0.748 55.550 56.287 0.019 0.000 0.837 277 K CB 2.127 34.633 32.500 0.010 0.000 1.131 277 K HN 0.443 nan 8.250 nan 0.000 0.431 278 T N 0.619 115.190 114.554 0.028 0.000 2.855 278 T HA 0.659 5.009 4.350 -0.000 0.000 0.281 278 T C -0.201 174.514 174.700 0.026 0.000 1.007 278 T CA -0.386 61.734 62.100 0.033 0.000 1.009 278 T CB 1.489 70.385 68.868 0.046 0.000 0.983 278 T HN 0.842 nan 8.240 nan 0.000 0.455 279 G N 1.653 110.465 108.800 0.019 0.000 2.801 279 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.686 279 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.686 279 G C -0.819 174.039 174.900 -0.071 0.000 1.507 279 G CA -0.507 44.577 45.100 -0.028 0.000 0.980 279 G HN 0.853 nan 8.290 nan 0.000 0.589 280 K N 0.057 120.382 120.400 -0.126 0.000 2.545 280 K HA 0.676 4.996 4.320 -0.000 0.000 0.252 280 K C -0.616 175.889 176.600 -0.158 0.000 0.948 280 K CA -0.677 55.546 56.287 -0.108 0.000 0.827 280 K CB 1.919 34.387 32.500 -0.054 0.000 1.128 280 K HN 1.024 nan 8.250 nan 0.000 0.429 281 V N 5.155 124.982 119.914 -0.145 0.000 2.487 281 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 281 V C -0.304 175.717 176.094 -0.122 0.000 1.028 281 V CA -0.964 61.239 62.300 -0.161 0.000 0.860 281 V CB 1.452 33.159 31.823 -0.193 0.000 0.991 281 V HN 0.666 nan 8.190 nan 0.000 0.427 282 I N 5.484 125.988 120.570 -0.109 0.000 2.342 282 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 282 I C -0.071 175.967 176.117 -0.131 0.000 1.010 282 I CA -0.326 60.895 61.300 -0.131 0.000 1.308 282 I CB 1.453 39.382 38.000 -0.119 0.000 1.400 282 I HN 0.517 nan 8.210 nan 0.000 0.488 283 I N 7.438 127.917 120.570 -0.151 0.000 2.354 283 I HA 0.337 4.507 4.170 -0.000 0.000 0.286 283 I C 0.209 176.244 176.117 -0.138 0.000 1.007 283 I CA -0.498 60.724 61.300 -0.129 0.000 1.167 283 I CB 1.164 39.091 38.000 -0.122 0.000 1.320 283 I HN 0.298 nan 8.210 nan 0.000 0.458 284 I N 6.210 126.713 120.570 -0.112 0.000 2.452 284 I HA 0.346 4.516 4.170 -0.000 0.000 0.287 284 I C 0.948 177.016 176.117 -0.080 0.000 1.079 284 I CA 0.209 61.445 61.300 -0.107 0.000 1.387 284 I CB 0.281 38.239 38.000 -0.069 0.000 1.404 284 I HN 0.838 nan 8.210 nan 0.000 0.522 285 G N 4.350 113.086 108.800 -0.107 0.000 2.999 285 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.686 285 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.686 285 G C -0.037 174.816 174.900 -0.078 0.000 1.057 285 G CA -0.242 44.807 45.100 -0.085 0.000 0.784 285 G HN 0.844 nan 8.290 nan 0.000 0.575 286 S N 1.747 117.399 115.700 -0.079 0.000 2.489 286 S HA 0.615 5.085 4.470 -0.000 0.000 0.237 286 S C 1.280 175.861 174.600 -0.032 0.000 1.220 286 S CA 0.452 58.615 58.200 -0.061 0.000 1.231 286 S CB 0.745 63.901 63.200 -0.073 0.000 0.900 286 S HN 1.943 nan 8.310 nan 0.000 0.492 287 G N 0.802 109.593 108.800 -0.015 0.000 2.744 287 G HA2 0.273 4.233 3.960 -0.000 0.000 0.257 287 G HA3 0.273 4.233 3.960 -0.000 0.000 0.257 287 G C 0.960 175.851 174.900 -0.015 0.000 1.244 287 G CA -0.363 44.737 45.100 -0.000 0.000 0.916 287 G HN 0.302 nan 8.290 nan 0.000 0.564 288 V N 0.828 120.728 119.914 -0.022 0.000 2.392 288 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 288 V C 3.249 179.331 176.094 -0.020 0.000 1.059 288 V CA 2.686 64.972 62.300 -0.024 0.000 1.051 288 V CB -0.694 31.104 31.823 -0.043 0.000 0.658 288 V HN 0.925 nan 8.190 nan 0.000 0.455 289 S N 1.059 116.752 115.700 -0.013 0.000 2.343 289 S HA -0.147 4.323 4.470 -0.000 0.000 0.219 289 S C 2.189 176.775 174.600 -0.025 0.000 1.033 289 S CA 1.699 59.891 58.200 -0.014 0.000 1.014 289 S CB -1.275 61.929 63.200 0.008 0.000 0.915 289 S HN 0.533 nan 8.310 nan 0.000 0.435 290 G N 2.388 111.175 108.800 -0.022 0.000 2.631 290 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.219 290 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.219 290 G C 1.520 176.386 174.900 -0.057 0.000 1.214 290 G CA 1.424 46.498 45.100 -0.043 0.000 0.785 290 G HN 0.533 nan 8.290 nan 0.000 0.596 291 L N 0.833 122.028 121.223 -0.046 0.000 2.012 291 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 291 L C 3.471 180.314 176.870 -0.046 0.000 1.073 291 L CA 1.324 56.137 54.840 -0.046 0.000 0.748 291 L CB -0.541 41.502 42.059 -0.027 0.000 0.891 291 L HN 0.328 nan 8.230 nan 0.000 0.431 292 A N -0.050 122.749 122.820 -0.034 0.000 1.883 292 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 292 A C 2.545 180.084 177.584 -0.075 0.000 1.186 292 A CA 2.002 54.021 52.037 -0.031 0.000 0.624 292 A CB -0.897 18.085 19.000 -0.029 0.000 0.822 292 A HN 0.419 nan 8.150 nan 0.000 0.444 293 A N -0.071 122.696 122.820 -0.088 0.000 1.851 293 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 293 A C 2.586 180.074 177.584 -0.160 0.000 1.195 293 A CA 2.702 54.665 52.037 -0.123 0.000 0.622 293 A CB -1.370 17.568 19.000 -0.103 0.000 0.831 293 A HN 1.245 nan 8.150 nan 0.000 0.444 294 A N -0.327 122.414 122.820 -0.131 0.000 1.869 294 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 294 A C 2.259 179.744 177.584 -0.164 0.000 1.203 294 A CA 2.042 53.996 52.037 -0.138 0.000 0.638 294 A CB -0.711 18.222 19.000 -0.111 0.000 0.831 294 A HN 0.557 nan 8.150 nan 0.000 0.450 295 R N -1.241 119.175 120.500 -0.139 0.000 2.103 295 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 295 R C 2.516 178.669 176.300 -0.245 0.000 1.142 295 R CA 1.635 57.647 56.100 -0.147 0.000 0.960 295 R CB -0.413 29.837 30.300 -0.083 0.000 0.858 295 R HN 0.603 nan 8.270 nan 0.000 0.439 296 Q N 0.708 120.310 119.800 -0.329 0.000 1.975 296 Q HA -0.149 4.191 4.340 -0.000 0.000 0.205 296 Q C 2.377 177.741 176.000 -1.060 0.000 0.990 296 Q CA 1.464 56.849 55.803 -0.697 0.000 0.845 296 Q CB -0.622 27.748 28.738 -0.613 0.000 0.913 296 Q HN 0.376 nan 8.270 nan 0.000 0.420 297 L N 0.598 121.436 121.223 -0.641 0.000 1.997 297 L HA -0.294 4.046 4.340 -0.000 0.000 0.216 297 L C 2.774 179.510 176.870 -0.223 0.000 1.074 297 L CA 1.884 56.502 54.840 -0.370 0.000 0.763 297 L CB -0.666 41.272 42.059 -0.200 0.000 0.890 297 L HN 0.411 nan 8.230 nan 0.000 0.434 298 Q N 0.068 119.752 119.800 -0.194 0.000 2.045 298 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 298 Q C 2.287 178.240 176.000 -0.079 0.000 0.991 298 Q CA 2.606 58.342 55.803 -0.111 0.000 0.851 298 Q CB -0.126 28.546 28.738 -0.109 0.000 0.911 298 Q HN 0.563 nan 8.270 nan 0.000 0.418 299 S N -0.708 114.909 115.700 -0.138 0.000 2.500 299 S HA -0.086 4.384 4.470 -0.000 0.000 0.239 299 S C 1.115 175.823 174.600 0.180 0.000 0.989 299 S CA 0.513 58.698 58.200 -0.025 0.000 0.951 299 S CB -0.256 62.924 63.200 -0.033 0.000 0.759 299 S HN 0.388 nan 8.310 nan 0.000 0.523 300 F N 2.158 122.105 119.950 -0.004 0.000 2.692 300 F HA 0.436 4.963 4.527 -0.000 0.000 0.303 300 F C 1.815 177.614 175.800 -0.001 0.000 1.114 300 F CA -1.216 56.781 58.000 -0.004 0.000 1.361 300 F CB -0.853 38.133 39.000 -0.022 0.000 1.063 300 F HN 0.356 nan 8.300 nan 0.000 0.550 301 G N 1.437 110.334 108.800 0.162 0.000 2.324 301 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.292 301 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.292 301 G C 0.036 174.977 174.900 0.068 0.000 1.079 301 G CA 0.055 45.208 45.100 0.088 0.000 1.026 301 G HN 0.274 nan 8.290 nan 0.000 0.506 302 M N -0.390 119.236 119.600 0.043 0.000 2.777 302 M HA 0.402 4.882 4.480 -0.000 0.000 0.307 302 M C -0.441 175.846 176.300 -0.022 0.000 1.228 302 M CA -0.909 54.397 55.300 0.010 0.000 0.871 302 M CB 1.547 34.147 32.600 -0.001 0.000 1.721 302 M HN 0.130 nan 8.290 nan 0.000 0.487 303 D N 1.757 122.137 120.400 -0.033 0.000 2.359 303 D HA 0.395 5.035 4.640 -0.000 0.000 0.230 303 D C -1.650 174.614 176.300 -0.061 0.000 1.118 303 D CA -0.075 53.902 54.000 -0.038 0.000 0.844 303 D CB 1.020 41.804 40.800 -0.026 0.000 1.059 303 D HN 0.200 nan 8.370 nan 0.000 0.493 304 V N 3.569 123.443 119.914 -0.067 0.000 2.448 304 V HA 0.396 4.516 4.120 -0.000 0.000 0.295 304 V C 0.265 176.307 176.094 -0.088 0.000 1.025 304 V CA -0.490 61.757 62.300 -0.089 0.000 0.859 304 V CB 2.092 33.853 31.823 -0.104 0.000 0.988 304 V HN 0.536 nan 8.190 nan 0.000 0.431 305 T N 6.116 120.606 114.554 -0.107 0.000 2.841 305 T HA 0.659 5.009 4.350 -0.000 0.000 0.285 305 T C -0.695 173.894 174.700 -0.185 0.000 0.991 305 T CA -0.325 61.695 62.100 -0.134 0.000 0.966 305 T CB 1.143 69.942 68.868 -0.115 0.000 0.962 305 T HN 0.304 nan 8.240 nan 0.000 0.438 306 L N 3.996 125.111 121.223 -0.180 0.000 2.289 306 L HA 0.551 4.891 4.340 -0.000 0.000 0.285 306 L C -0.324 176.396 176.870 -0.250 0.000 1.049 306 L CA -0.486 54.239 54.840 -0.192 0.000 0.804 306 L CB 0.856 42.828 42.059 -0.145 0.000 1.195 306 L HN 0.400 nan 8.230 nan 0.000 0.428 307 L N 3.019 124.073 121.223 -0.282 0.000 2.265 307 L HA 0.543 4.883 4.340 -0.000 0.000 0.289 307 L C -0.303 176.415 176.870 -0.253 0.000 1.033 307 L CA -0.495 54.155 54.840 -0.316 0.000 0.814 307 L CB 1.461 43.292 42.059 -0.381 0.000 1.203 307 L HN 0.522 nan 8.230 nan 0.000 0.423 308 E N 2.045 122.092 120.200 -0.255 0.000 2.185 308 E HA 0.480 4.830 4.350 -0.000 0.000 0.261 308 E C 0.282 176.677 176.600 -0.342 0.000 0.879 308 E CA -0.324 55.923 56.400 -0.256 0.000 0.756 308 E CB 2.027 31.611 29.700 -0.194 0.000 1.152 308 E HN 0.583 nan 8.360 nan 0.000 0.416 309 A N 5.471 127.986 122.820 -0.508 0.000 1.883 309 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 309 A C 1.035 178.220 177.584 -0.665 0.000 1.186 309 A CA 1.064 52.607 52.037 -0.824 0.000 0.624 309 A CB -0.265 17.675 19.000 -1.767 0.000 0.822 309 A HN 0.613 nan 8.150 nan 0.000 0.444 310 R N 0.226 120.408 120.500 -0.530 0.000 2.707 310 R HA 0.202 4.542 4.340 -0.000 0.000 0.270 310 R C -0.057 176.159 176.300 -0.141 0.000 1.083 310 R CA 0.256 56.211 56.100 -0.242 0.000 1.182 310 R CB 0.115 30.358 30.300 -0.096 0.000 1.084 310 R HN 0.508 nan 8.270 nan 0.000 0.528 311 D N 0.495 120.858 120.400 -0.060 0.000 2.323 311 D HA -0.010 4.630 4.640 -0.000 0.000 0.239 311 D C -0.129 176.150 176.300 -0.035 0.000 1.129 311 D CA 0.003 53.976 54.000 -0.045 0.000 0.865 311 D CB -0.103 40.687 40.800 -0.017 0.000 0.913 311 D HN 0.422 nan 8.370 nan 0.000 0.517 312 R N -1.416 119.063 120.500 -0.035 0.000 2.734 312 R HA 0.608 4.948 4.340 -0.000 0.000 0.271 312 R C -0.416 175.868 176.300 -0.028 0.000 1.021 312 R CA -1.183 54.904 56.100 -0.022 0.000 0.893 312 R CB 1.022 31.325 30.300 0.004 0.000 1.244 312 R HN -0.107 nan 8.270 nan 0.000 0.464 313 V N -1.465 118.437 119.914 -0.020 0.000 3.441 313 V HA 0.771 4.891 4.120 -0.000 0.000 0.300 313 V C 1.124 177.223 176.094 0.009 0.000 1.062 313 V CA 0.389 62.678 62.300 -0.018 0.000 1.064 313 V CB 0.579 32.389 31.823 -0.022 0.000 1.197 313 V HN 1.204 nan 8.190 nan 0.000 0.451 314 G N -1.073 107.732 108.800 0.007 0.000 2.258 314 G HA2 0.026 3.986 3.960 -0.000 0.000 0.233 314 G HA3 0.026 3.986 3.960 -0.000 0.000 0.233 314 G C 1.706 176.628 174.900 0.038 0.000 1.006 314 G CA 0.842 45.952 45.100 0.016 0.000 0.620 314 G HN 2.670 nan 8.290 nan 0.000 0.511 315 G N 0.362 109.205 108.800 0.071 0.000 2.665 315 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.326 315 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.326 315 G C 0.967 175.994 174.900 0.212 0.000 1.231 315 G CA 1.526 46.705 45.100 0.130 0.000 0.992 315 G HN 1.179 nan 8.290 nan 0.000 0.549 316 R N -0.114 120.462 120.500 0.126 0.000 2.339 316 R HA 0.232 4.572 4.340 -0.000 0.000 0.199 316 R C 0.641 176.916 176.300 -0.042 0.000 1.018 316 R CA 0.366 56.456 56.100 -0.018 0.000 1.036 316 R CB -0.074 30.103 30.300 -0.205 0.000 0.899 316 R HN 0.219 nan 8.270 nan 0.000 0.473 317 V N 1.732 121.640 119.914 -0.009 0.000 2.356 317 V HA 0.295 4.415 4.120 -0.000 0.000 0.258 317 V C -0.075 176.090 176.094 0.119 0.000 1.065 317 V CA -0.351 61.933 62.300 -0.027 0.000 0.935 317 V CB 0.887 32.622 31.823 -0.145 0.000 1.061 317 V HN 0.129 nan 8.190 nan 0.000 0.484 318 A N 4.087 127.035 122.820 0.215 0.000 2.335 318 A HA 0.783 5.103 4.320 -0.000 0.000 0.304 318 A C -0.050 177.664 177.584 0.217 0.000 1.118 318 A CA -0.455 51.732 52.037 0.250 0.000 0.757 318 A CB 1.264 20.498 19.000 0.390 0.000 1.188 318 A HN 0.604 nan 8.150 nan 0.000 0.460 319 T N 2.331 116.986 114.554 0.167 0.000 2.792 319 T HA 0.453 4.803 4.350 -0.000 0.000 0.280 319 T C -0.770 174.015 174.700 0.142 0.000 0.990 319 T CA -0.105 62.088 62.100 0.155 0.000 0.960 319 T CB 0.596 69.538 68.868 0.123 0.000 0.939 319 T HN 0.484 nan 8.240 nan 0.000 0.439 320 F N 4.777 124.727 119.950 -0.000 0.000 2.424 320 F HA 0.525 5.052 4.527 -0.000 0.000 0.356 320 F C 0.384 176.170 175.800 -0.024 0.000 1.110 320 F CA -0.571 57.417 58.000 -0.020 0.000 1.161 320 F CB 0.370 39.344 39.000 -0.044 0.000 1.115 320 F HN 0.363 nan 8.300 nan 0.000 0.507 321 R N 5.058 125.173 120.500 -0.641 0.000 2.803 321 R HA 0.639 4.979 4.340 -0.000 0.000 0.276 321 R C -1.378 174.516 176.300 -0.677 0.000 0.978 321 R CA -1.440 54.377 56.100 -0.472 0.000 0.939 321 R CB 2.312 32.477 30.300 -0.224 0.000 1.179 321 R HN 0.670 nan 8.270 nan 0.000 0.472 322 K N 0.438 120.638 120.400 -0.333 0.000 2.479 322 K HA 0.134 4.454 4.320 -0.000 0.000 0.320 322 K C -0.006 176.594 176.600 -0.000 0.000 1.255 322 K CA 0.555 56.735 56.287 -0.179 0.000 1.151 322 K CB 0.536 32.916 32.500 -0.201 0.000 1.421 322 K HN 0.805 nan 8.250 nan 0.000 0.448 323 G N 3.884 112.660 108.800 -0.040 0.000 2.677 323 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.321 323 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.321 323 G C 0.322 175.148 174.900 -0.123 0.000 1.181 323 G CA 0.677 45.734 45.100 -0.072 0.000 0.965 323 G HN 0.644 nan 8.290 nan 0.000 0.548 324 N N -0.054 118.497 118.700 -0.248 0.000 2.171 324 N HA 0.175 4.915 4.740 -0.000 0.000 0.212 324 N C -0.320 175.071 175.510 -0.198 0.000 1.184 324 N CA 0.061 52.973 53.050 -0.229 0.000 0.888 324 N CB 0.841 39.171 38.487 -0.262 0.000 1.038 324 N HN 0.431 nan 8.380 nan 0.000 0.517 325 Y N 1.251 121.561 120.300 0.015 0.000 2.442 325 Y HA 0.256 4.806 4.550 -0.000 0.000 0.330 325 Y C 0.587 176.470 175.900 -0.028 0.000 1.129 325 Y CA -0.228 57.892 58.100 0.033 0.000 1.365 325 Y CB 0.825 39.368 38.460 0.139 0.000 1.233 325 Y HN -0.317 nan 8.280 nan 0.000 0.529 326 V N 2.461 122.397 119.914 0.037 0.000 2.686 326 V HA 0.879 4.999 4.120 -0.000 0.000 0.306 326 V C -0.780 175.017 176.094 -0.495 0.000 1.065 326 V CA -0.958 61.265 62.300 -0.129 0.000 0.894 326 V CB 1.705 33.453 31.823 -0.125 0.000 1.004 326 V HN 0.847 nan 8.190 nan 0.000 0.424 327 A N 3.153 125.809 122.820 -0.274 0.000 2.530 327 A HA 0.604 4.924 4.320 -0.000 0.000 0.297 327 A C -1.351 176.249 177.584 0.027 0.000 1.059 327 A CA -0.717 51.098 52.037 -0.370 0.000 0.782 327 A CB 1.099 19.958 19.000 -0.235 0.000 1.301 327 A HN 0.688 nan 8.150 nan 0.000 0.394 328 D N 2.581 123.070 120.400 0.148 0.000 2.312 328 D HA 0.317 4.957 4.640 -0.000 0.000 0.252 328 D C 0.761 177.158 176.300 0.163 0.000 1.150 328 D CA 0.034 54.148 54.000 0.189 0.000 0.870 328 D CB 1.628 42.571 40.800 0.239 0.000 1.153 328 D HN 0.458 nan 8.370 nan 0.000 0.457 329 L N 1.650 123.000 121.223 0.212 0.000 2.592 329 L HA 0.187 4.527 4.340 -0.000 0.000 0.227 329 L C 1.531 178.669 176.870 0.446 0.000 1.127 329 L CA 0.167 55.170 54.840 0.272 0.000 0.884 329 L CB 0.268 42.470 42.059 0.237 0.000 1.065 329 L HN 0.387 nan 8.230 nan 0.000 0.457 330 G N -0.916 108.070 108.800 0.310 0.000 3.247 330 G HA2 0.613 4.573 3.960 -0.000 0.000 0.163 330 G HA3 0.613 4.573 3.960 -0.000 0.000 0.163 330 G C -0.462 174.462 174.900 0.039 0.000 1.206 330 G CA -0.005 45.163 45.100 0.114 0.000 0.918 330 G HN 0.096 nan 8.290 nan 0.000 0.625 331 A N -0.535 122.268 122.820 -0.027 0.000 2.561 331 A HA 0.447 4.767 4.320 -0.000 0.000 0.234 331 A C 0.737 178.482 177.584 0.268 0.000 1.055 331 A CA 1.222 53.275 52.037 0.027 0.000 0.756 331 A CB 0.280 19.160 19.000 -0.200 0.000 0.986 331 A HN 0.820 nan 8.150 nan 0.000 0.505 332 M N 1.757 121.530 119.600 0.288 0.000 1.999 332 M HA 0.207 4.687 4.480 -0.000 0.000 0.312 332 M C -1.096 175.267 176.300 0.104 0.000 0.982 332 M CA 0.493 55.910 55.300 0.195 0.000 1.125 332 M CB 0.791 33.366 32.600 -0.042 0.000 2.053 332 M HN 0.416 nan 8.290 nan 0.000 0.703 333 V N 2.118 122.114 119.914 0.137 0.000 2.495 333 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 333 V C -0.271 175.903 176.094 0.133 0.000 1.031 333 V CA -0.992 61.371 62.300 0.105 0.000 0.871 333 V CB 1.618 33.537 31.823 0.161 0.000 0.988 333 V HN -0.013 nan 8.190 nan 0.000 0.432 334 V N 3.644 123.594 119.914 0.060 0.000 2.455 334 V HA 0.199 4.319 4.120 -0.000 0.000 0.273 334 V C 1.138 177.244 176.094 0.021 0.000 1.045 334 V CA 0.047 62.401 62.300 0.090 0.000 0.976 334 V CB 1.287 33.133 31.823 0.038 0.000 0.993 334 V HN 1.066 nan 8.190 nan 0.000 0.475 335 T N 1.298 115.832 114.554 -0.032 0.000 3.591 335 T HA 0.535 4.885 4.350 -0.000 0.000 0.232 335 T C 0.544 175.156 174.700 -0.147 0.000 1.116 335 T CA 0.182 61.979 62.100 -0.505 0.000 1.063 335 T CB -0.537 68.049 68.868 -0.470 0.000 1.227 335 T HN 1.700 nan 8.240 nan 0.000 0.685 336 G N 0.989 109.845 108.800 0.093 0.000 3.055 336 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.686 336 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.686 336 G C 0.068 175.047 174.900 0.131 0.000 1.087 336 G CA -0.552 44.693 45.100 0.243 0.000 0.779 336 G HN 0.487 nan 8.290 nan 0.000 0.599 337 L N 1.464 122.722 121.223 0.058 0.000 2.492 337 L HA 0.213 4.553 4.340 -0.000 0.000 0.223 337 L C 2.224 179.007 176.870 -0.144 0.000 1.132 337 L CA 0.769 55.570 54.840 -0.064 0.000 0.850 337 L CB -0.068 41.982 42.059 -0.015 0.000 0.966 337 L HN 0.789 nan 8.230 nan 0.000 0.454 338 G N 0.154 108.948 108.800 -0.011 0.000 2.588 338 G HA2 0.353 4.313 3.960 -0.000 0.000 0.297 338 G HA3 0.353 4.313 3.960 -0.000 0.000 0.297 338 G C 1.038 175.810 174.900 -0.213 0.000 0.874 338 G CA 0.444 45.597 45.100 0.089 0.000 1.607 338 G HN 0.411 nan 8.290 nan 0.000 0.486 339 G N 1.640 110.181 108.800 -0.432 0.000 2.131 339 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.223 339 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.223 339 G C 0.285 174.619 174.900 -0.944 0.000 0.990 339 G CA 0.026 44.724 45.100 -0.670 0.000 0.671 339 G HN 0.897 nan 8.290 nan 0.000 0.521 340 N N 0.796 118.843 118.700 -1.088 0.000 2.419 340 N HA 0.453 5.193 4.740 -0.000 0.000 0.277 340 N C -0.474 174.767 175.510 -0.449 0.000 1.006 340 N CA -2.004 50.284 53.050 -1.271 0.000 0.923 340 N CB 2.156 39.971 38.487 -1.121 0.000 1.140 340 N HN 0.028 nan 8.380 nan 0.000 0.488 341 P HA -0.139 nan 4.420 nan 0.000 0.218 341 P C 1.383 178.743 177.300 0.100 0.000 1.148 341 P CA 1.090 64.174 63.100 -0.026 0.000 0.822 341 P CB 0.254 31.870 31.700 -0.141 0.000 0.784 342 M N -0.448 119.186 119.600 0.056 0.000 2.346 342 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 342 M C 2.212 178.547 176.300 0.059 0.000 1.064 342 M CA 1.152 56.520 55.300 0.113 0.000 1.083 342 M CB -1.957 30.733 32.600 0.151 0.000 1.399 342 M HN -0.069 nan 8.290 nan 0.000 0.435 343 A N 0.333 123.145 122.820 -0.015 0.000 1.873 343 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 343 A C 2.482 180.058 177.584 -0.013 0.000 1.193 343 A CA 2.242 54.259 52.037 -0.033 0.000 0.629 343 A CB -1.080 17.871 19.000 -0.081 0.000 0.826 343 A HN 0.288 nan 8.150 nan 0.000 0.447 344 V N -0.338 119.588 119.914 0.021 0.000 2.255 344 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 344 V C 2.605 178.696 176.094 -0.006 0.000 1.051 344 V CA 2.087 64.367 62.300 -0.033 0.000 1.018 344 V CB -0.922 30.914 31.823 0.022 0.000 0.641 344 V HN 0.388 nan 8.190 nan 0.000 0.445 345 V N 1.060 121.045 119.914 0.118 0.000 2.282 345 V HA -0.296 3.824 4.120 -0.000 0.000 0.249 345 V C 2.757 178.889 176.094 0.062 0.000 1.057 345 V CA 2.531 64.906 62.300 0.125 0.000 1.032 345 V CB -1.105 30.834 31.823 0.193 0.000 0.645 345 V HN 0.794 nan 8.190 nan 0.000 0.447 346 S N -0.037 115.690 115.700 0.046 0.000 2.419 346 S HA -0.278 4.192 4.470 -0.000 0.000 0.235 346 S C 1.858 176.454 174.600 -0.006 0.000 1.019 346 S CA 1.790 60.001 58.200 0.019 0.000 0.982 346 S CB -0.494 62.710 63.200 0.006 0.000 0.789 346 S HN 0.655 nan 8.310 nan 0.000 0.490 347 K N 0.588 120.968 120.400 -0.033 0.000 2.366 347 K HA 0.137 4.457 4.320 -0.000 0.000 0.198 347 K C 2.266 178.834 176.600 -0.053 0.000 1.044 347 K CA 0.856 57.107 56.287 -0.060 0.000 0.973 347 K CB -0.024 32.409 32.500 -0.112 0.000 0.767 347 K HN 0.551 nan 8.250 nan 0.000 0.475 348 Q N -0.187 119.596 119.800 -0.029 0.000 2.384 348 Q HA 0.094 4.434 4.340 -0.000 0.000 0.207 348 Q C -0.527 175.486 176.000 0.021 0.000 0.904 348 Q CA 0.197 55.999 55.803 -0.001 0.000 0.933 348 Q CB 1.131 29.887 28.738 0.029 0.000 1.077 348 Q HN -0.030 nan 8.270 nan 0.000 0.522 349 V N 1.445 121.374 119.914 0.025 0.000 2.686 349 V HA 0.145 4.265 4.120 -0.000 0.000 0.306 349 V C -0.401 175.709 176.094 0.026 0.000 1.065 349 V CA -1.199 61.122 62.300 0.035 0.000 0.894 349 V CB 1.759 33.616 31.823 0.058 0.000 1.004 349 V HN 0.078 nan 8.190 nan 0.000 0.424 350 N N 4.390 123.104 118.700 0.023 0.000 2.576 350 N HA 0.018 4.758 4.740 -0.000 0.000 0.307 350 N C -0.329 175.197 175.510 0.028 0.000 1.213 350 N CA 0.652 53.715 53.050 0.022 0.000 1.156 350 N CB -0.343 38.156 38.487 0.020 0.000 1.463 350 N HN 0.658 nan 8.380 nan 0.000 0.504 351 M N 0.738 120.351 119.600 0.022 0.000 2.318 351 M HA 0.201 4.681 4.480 -0.000 0.000 0.347 351 M C 0.375 176.681 176.300 0.011 0.000 1.175 351 M CA -0.384 54.924 55.300 0.013 0.000 1.075 351 M CB 1.410 34.005 32.600 -0.008 0.000 1.614 351 M HN 0.164 nan 8.290 nan 0.000 0.456 352 E N 3.383 123.593 120.200 0.017 0.000 2.028 352 E HA 0.327 4.677 4.350 -0.000 0.000 0.266 352 E C -1.328 175.283 176.600 0.018 0.000 0.962 352 E CA -0.246 56.170 56.400 0.026 0.000 0.784 352 E CB 0.623 30.351 29.700 0.046 0.000 1.114 352 E HN 0.555 nan 8.360 nan 0.000 0.414 353 L N 3.334 124.563 121.223 0.010 0.000 2.261 353 L HA 0.429 4.769 4.340 -0.000 0.000 0.289 353 L C 0.130 177.015 176.870 0.025 0.000 1.059 353 L CA -0.530 54.314 54.840 0.007 0.000 0.816 353 L CB 0.972 43.032 42.059 0.002 0.000 1.191 353 L HN 0.451 nan 8.230 nan 0.000 0.431 354 A N 4.909 127.747 122.820 0.030 0.000 2.305 354 A HA 0.517 4.837 4.320 -0.000 0.000 0.322 354 A C -0.216 177.402 177.584 0.057 0.000 1.187 354 A CA -0.735 51.327 52.037 0.042 0.000 0.825 354 A CB 0.737 19.762 19.000 0.042 0.000 1.164 354 A HN 0.652 nan 8.150 nan 0.000 0.498 355 K N 1.489 121.928 120.400 0.065 0.000 2.270 355 K HA 0.360 4.679 4.320 -0.000 0.000 0.276 355 K C -0.823 175.832 176.600 0.092 0.000 1.023 355 K CA 0.220 56.557 56.287 0.084 0.000 0.955 355 K CB 0.891 33.435 32.500 0.074 0.000 0.975 355 K HN 0.602 nan 8.250 nan 0.000 0.471 356 I N 3.291 123.931 120.570 0.118 0.000 2.331 356 I HA 0.111 4.281 4.170 -0.000 0.000 0.292 356 I C 0.112 176.279 176.117 0.083 0.000 0.998 356 I CA -0.548 60.822 61.300 0.118 0.000 1.267 356 I CB 1.129 39.237 38.000 0.180 0.000 1.386 356 I HN 0.331 nan 8.210 nan 0.000 0.476 357 K N 5.864 126.303 120.400 0.065 0.000 2.322 357 K HA 0.132 4.452 4.320 -0.000 0.000 0.283 357 K C 0.734 177.351 176.600 0.029 0.000 1.042 357 K CA -0.592 55.724 56.287 0.048 0.000 0.958 357 K CB 0.968 33.499 32.500 0.051 0.000 0.984 357 K HN 0.491 nan 8.250 nan 0.000 0.473 358 Q N 1.584 121.397 119.800 0.022 0.000 2.297 358 Q HA -0.152 4.188 4.340 -0.000 0.000 0.208 358 Q C 0.261 176.263 176.000 0.003 0.000 0.981 358 Q CA 1.093 56.902 55.803 0.009 0.000 0.876 358 Q CB -0.059 28.687 28.738 0.013 0.000 0.921 358 Q HN 0.430 nan 8.270 nan 0.000 0.446 359 K N 0.589 120.995 120.400 0.011 0.000 2.447 359 K HA 0.010 4.330 4.320 -0.000 0.000 0.281 359 K C -1.025 175.579 176.600 0.007 0.000 1.031 359 K CA 0.146 56.439 56.287 0.010 0.000 1.019 359 K CB 0.373 32.886 32.500 0.023 0.000 0.918 359 K HN 0.059 nan 8.250 nan 0.000 0.476 360 C N 8.627 127.917 119.300 -0.016 0.000 3.123 360 C HA 0.378 4.838 4.460 -0.000 0.000 0.284 360 C C -2.589 172.354 174.990 -0.078 0.000 1.076 360 C CA -1.908 57.095 59.018 -0.025 0.000 1.416 360 C CB 0.217 27.924 27.740 -0.056 0.000 1.841 360 C HN 0.720 nan 8.230 nan 0.000 0.501 361 P HA 0.260 nan 4.420 nan 0.000 0.271 361 P C -0.549 176.620 177.300 -0.218 0.000 1.220 361 P CA 0.372 63.360 63.100 -0.186 0.000 0.768 361 P CB 0.741 32.323 31.700 -0.196 0.000 0.848 362 L N 3.477 124.447 121.223 -0.422 0.000 2.416 362 L HA 0.427 4.767 4.340 -0.000 0.000 0.262 362 L C -0.138 176.454 176.870 -0.463 0.000 1.093 362 L CA -0.747 53.860 54.840 -0.388 0.000 0.801 362 L CB 0.244 41.940 42.059 -0.605 0.000 1.191 362 L HN 0.340 nan 8.230 nan 0.000 0.459 363 Y N -0.494 119.715 120.300 -0.151 0.000 2.359 363 Y HA 0.191 4.741 4.550 -0.000 0.000 0.336 363 Y C -0.546 175.291 175.900 -0.104 0.000 1.098 363 Y CA -0.793 57.236 58.100 -0.119 0.000 1.272 363 Y CB 1.140 39.542 38.460 -0.097 0.000 1.112 363 Y HN 0.512 nan 8.280 nan 0.000 0.481 364 E N 2.246 122.435 120.200 -0.017 0.000 2.299 364 E HA 0.454 4.804 4.350 -0.000 0.000 0.272 364 E C -0.124 176.491 176.600 0.024 0.000 1.043 364 E CA -0.332 56.047 56.400 -0.035 0.000 0.895 364 E CB 0.922 30.592 29.700 -0.050 0.000 1.011 364 E HN 0.579 nan 8.360 nan 0.000 0.432 365 A N 4.348 127.195 122.820 0.045 0.000 2.351 365 A HA 0.165 4.485 4.320 -0.000 0.000 0.257 365 A C 0.116 177.728 177.584 0.047 0.000 1.087 365 A CA -0.665 51.423 52.037 0.085 0.000 0.798 365 A CB 0.376 19.483 19.000 0.178 0.000 1.033 365 A HN 0.644 nan 8.150 nan 0.000 0.488 366 N N 1.360 120.084 118.700 0.040 0.000 2.990 366 N HA 0.341 5.081 4.740 -0.000 0.000 0.288 366 N C 0.957 176.487 175.510 0.032 0.000 1.624 366 N CA 0.868 53.933 53.050 0.026 0.000 0.961 366 N CB 0.774 39.267 38.487 0.011 0.000 1.259 366 N HN 1.116 nan 8.380 nan 0.000 0.489 367 G N 2.029 110.857 108.800 0.047 0.000 2.629 367 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.313 367 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.313 367 G C 0.016 174.945 174.900 0.047 0.000 1.217 367 G CA 0.228 45.358 45.100 0.049 0.000 0.994 367 G HN 0.502 nan 8.290 nan 0.000 0.549 368 Q N 1.332 121.153 119.800 0.034 0.000 3.122 368 Q HA 0.501 4.841 4.340 -0.000 0.000 0.360 368 Q C 0.612 176.624 176.000 0.021 0.000 1.300 368 Q CA 0.359 56.179 55.803 0.028 0.000 0.982 368 Q CB 0.582 29.334 28.738 0.023 0.000 1.534 368 Q HN 0.643 nan 8.270 nan 0.000 0.474 369 K N 0.009 120.328 120.400 -0.134 0.000 2.219 369 K HA 0.267 4.587 4.320 -0.000 0.000 0.258 369 K C -0.599 175.829 176.600 -0.288 0.000 1.008 369 K CA -0.417 55.625 56.287 -0.409 0.000 0.928 369 K CB 0.696 32.913 32.500 -0.472 0.000 0.983 369 K HN 0.120 nan 8.250 nan 0.000 0.484 370 V N 5.112 124.821 119.914 -0.341 0.000 2.432 370 V HA 0.237 4.357 4.120 -0.000 0.000 0.275 370 V C -2.102 173.864 176.094 -0.213 0.000 1.043 370 V CA -1.804 60.354 62.300 -0.236 0.000 0.925 370 V CB 0.970 32.652 31.823 -0.235 0.000 0.985 370 V HN 0.847 nan 8.190 nan 0.000 0.466 371 P HA 0.224 nan 4.420 nan 0.000 0.275 371 P C 0.465 177.697 177.300 -0.113 0.000 1.228 371 P CA -0.606 62.419 63.100 -0.126 0.000 0.786 371 P CB 0.457 32.100 31.700 -0.095 0.000 0.927 372 K N 1.213 121.553 120.400 -0.100 0.000 2.589 372 K HA -0.168 4.152 4.320 -0.000 0.000 0.195 372 K C 0.991 177.551 176.600 -0.067 0.000 1.042 372 K CA 1.040 57.277 56.287 -0.084 0.000 0.940 372 K CB -0.063 32.397 32.500 -0.068 0.000 0.776 372 K HN 0.487 nan 8.250 nan 0.000 0.487 373 E N 1.007 121.166 120.200 -0.067 0.000 2.094 373 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 373 E C 1.799 178.366 176.600 -0.056 0.000 0.950 373 E CA 0.234 56.602 56.400 -0.054 0.000 0.842 373 E CB 0.267 29.937 29.700 -0.050 0.000 0.816 373 E HN 0.117 nan 8.360 nan 0.000 0.465 374 K N 1.393 121.754 120.400 -0.066 0.000 1.978 374 K HA -0.166 4.154 4.320 -0.000 0.000 0.214 374 K C 1.822 178.379 176.600 -0.071 0.000 1.049 374 K CA 1.055 57.301 56.287 -0.069 0.000 0.939 374 K CB -0.681 31.771 32.500 -0.079 0.000 0.721 374 K HN 0.104 nan 8.250 nan 0.000 0.441 375 D N 1.194 121.542 120.400 -0.087 0.000 2.268 375 D HA -0.231 4.409 4.640 -0.000 0.000 0.189 375 D C 1.694 177.960 176.300 -0.058 0.000 1.010 375 D CA 1.733 55.679 54.000 -0.090 0.000 0.862 375 D CB 0.050 40.781 40.800 -0.116 0.000 0.943 375 D HN 0.342 nan 8.370 nan 0.000 0.451 376 E N -0.870 119.298 120.200 -0.053 0.000 2.152 376 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 376 E C 2.296 178.873 176.600 -0.039 0.000 0.983 376 E CA 0.388 56.765 56.400 -0.038 0.000 0.818 376 E CB -0.036 29.645 29.700 -0.032 0.000 0.758 376 E HN 0.359 nan 8.360 nan 0.000 0.467 377 M N 0.305 119.879 119.600 -0.044 0.000 2.388 377 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 377 M C 2.062 178.332 176.300 -0.050 0.000 1.088 377 M CA 0.609 55.886 55.300 -0.039 0.000 1.134 377 M CB 0.436 33.016 32.600 -0.034 0.000 1.384 377 M HN -0.037 nan 8.290 nan 0.000 0.447 378 V N -0.220 119.653 119.914 -0.069 0.000 2.323 378 V HA -0.243 3.877 4.120 -0.000 0.000 0.244 378 V C 2.013 178.013 176.094 -0.156 0.000 1.041 378 V CA 2.082 64.326 62.300 -0.093 0.000 1.025 378 V CB -0.857 30.919 31.823 -0.078 0.000 0.656 378 V HN 0.499 nan 8.190 nan 0.000 0.451 379 E N 0.127 120.197 120.200 -0.217 0.000 2.033 379 E HA -0.312 4.038 4.350 -0.000 0.000 0.199 379 E C 2.382 178.941 176.600 -0.068 0.000 1.011 379 E CA 1.852 58.063 56.400 -0.314 0.000 0.815 379 E CB -0.276 29.343 29.700 -0.135 0.000 0.755 379 E HN 0.524 nan 8.360 nan 0.000 0.451 380 Q N -0.260 119.518 119.800 -0.037 0.000 2.217 380 Q HA -0.264 4.076 4.340 -0.000 0.000 0.209 380 Q C 1.941 177.937 176.000 -0.006 0.000 0.988 380 Q CA 1.787 57.583 55.803 -0.012 0.000 0.878 380 Q CB -0.036 28.695 28.738 -0.012 0.000 0.909 380 Q HN 0.211 nan 8.270 nan 0.000 0.424 381 E N -0.244 119.957 120.200 0.001 0.000 2.076 381 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 381 E C 1.520 178.158 176.600 0.064 0.000 0.979 381 E CA 0.599 57.022 56.400 0.039 0.000 0.807 381 E CB -0.498 29.220 29.700 0.029 0.000 0.761 381 E HN 0.303 nan 8.360 nan 0.000 0.454 382 F N 1.960 121.831 119.950 -0.133 0.000 2.043 382 F HA -0.283 4.244 4.527 -0.000 0.000 0.297 382 F C 1.737 177.522 175.800 -0.024 0.000 1.118 382 F CA 2.182 60.090 58.000 -0.152 0.000 1.202 382 F CB -0.771 38.019 39.000 -0.349 0.000 0.965 382 F HN 0.063 nan 8.300 nan 0.000 0.482 383 N N 0.606 119.057 118.700 -0.415 0.000 2.149 383 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 383 N C 2.046 177.443 175.510 -0.188 0.000 1.019 383 N CA 1.503 54.315 53.050 -0.395 0.000 0.857 383 N CB -0.448 37.940 38.487 -0.166 0.000 0.997 383 N HN 0.433 nan 8.380 nan 0.000 0.426 384 R N 0.755 121.200 120.500 -0.091 0.000 2.091 384 R HA -0.019 4.321 4.340 -0.000 0.000 0.238 384 R C 2.380 178.670 176.300 -0.017 0.000 1.136 384 R CA 0.862 56.940 56.100 -0.036 0.000 0.959 384 R CB -0.318 29.980 30.300 -0.004 0.000 0.856 384 R HN 0.193 nan 8.270 nan 0.000 0.437 385 L N 0.428 121.655 121.223 0.007 0.000 2.056 385 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 385 L C 2.375 179.280 176.870 0.058 0.000 1.078 385 L CA 1.043 55.927 54.840 0.074 0.000 0.749 385 L CB -0.343 41.828 42.059 0.188 0.000 0.901 385 L HN 0.215 nan 8.230 nan 0.000 0.433 386 L N -0.308 120.888 121.223 -0.044 0.000 1.956 386 L HA -0.303 4.037 4.340 -0.000 0.000 0.216 386 L C 2.613 179.528 176.870 0.075 0.000 1.073 386 L CA 1.676 56.518 54.840 0.003 0.000 0.762 386 L CB -0.399 41.593 42.059 -0.111 0.000 0.889 386 L HN 0.283 nan 8.230 nan 0.000 0.433 387 E N -0.369 119.853 120.200 0.036 0.000 2.147 387 E HA -0.304 4.046 4.350 -0.000 0.000 0.199 387 E C 2.081 178.752 176.600 0.119 0.000 1.005 387 E CA 1.499 57.944 56.400 0.075 0.000 0.810 387 E CB -0.088 29.629 29.700 0.030 0.000 0.736 387 E HN 0.506 nan 8.360 nan 0.000 0.460 388 A N 0.050 122.921 122.820 0.085 0.000 1.892 388 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 388 A C 2.453 180.151 177.584 0.190 0.000 1.188 388 A CA 2.723 54.826 52.037 0.110 0.000 0.631 388 A CB -1.411 17.624 19.000 0.059 0.000 0.822 388 A HN 0.542 nan 8.150 nan 0.000 0.447 389 T N -2.844 111.808 114.554 0.164 0.000 2.777 389 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 389 T C 2.104 176.909 174.700 0.175 0.000 1.040 389 T CA 1.897 64.100 62.100 0.172 0.000 1.141 389 T CB -0.773 68.189 68.868 0.157 0.000 0.868 389 T HN 0.465 nan 8.240 nan 0.000 0.444 390 S N 0.496 116.318 115.700 0.203 0.000 2.370 390 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 390 S C 1.903 176.642 174.600 0.231 0.000 1.033 390 S CA 1.243 59.578 58.200 0.224 0.000 1.011 390 S CB -0.851 62.500 63.200 0.252 0.000 0.852 390 S HN 0.677 nan 8.310 nan 0.000 0.457 391 Y N 1.158 121.524 120.300 0.109 0.000 2.200 391 Y HA 0.019 4.569 4.550 -0.000 0.000 0.290 391 Y C 2.023 177.965 175.900 0.071 0.000 1.137 391 Y CA 1.553 59.704 58.100 0.085 0.000 1.163 391 Y CB -0.513 37.975 38.460 0.046 0.000 0.988 391 Y HN 0.343 nan 8.280 nan 0.000 0.518 392 L N -0.360 120.951 121.223 0.146 0.000 2.131 392 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 392 L C 2.625 179.512 176.870 0.028 0.000 1.092 392 L CA 2.099 56.987 54.840 0.079 0.000 0.759 392 L CB -1.097 41.073 42.059 0.186 0.000 0.903 392 L HN 0.393 nan 8.230 nan 0.000 0.435 393 S N -1.504 114.183 115.700 -0.021 0.000 2.325 393 S HA -0.166 4.304 4.470 -0.000 0.000 0.214 393 S C 2.002 176.466 174.600 -0.228 0.000 1.031 393 S CA 1.194 59.299 58.200 -0.157 0.000 0.972 393 S CB -0.385 62.617 63.200 -0.329 0.000 0.908 393 S HN 0.677 nan 8.310 nan 0.000 0.453 394 H N 0.320 119.345 119.070 -0.076 0.000 2.428 394 H HA 0.160 4.716 4.556 -0.000 0.000 0.296 394 H C 2.498 177.741 175.328 -0.143 0.000 1.062 394 H CA 1.436 57.428 56.048 -0.093 0.000 1.350 394 H CB 0.194 29.916 29.762 -0.067 0.000 1.403 394 H HN 0.359 nan 8.280 nan 0.000 0.533 395 Q N 0.172 119.865 119.800 -0.177 0.000 2.178 395 Q HA 0.082 4.422 4.340 -0.000 0.000 0.195 395 Q C 2.177 178.024 176.000 -0.255 0.000 0.960 395 Q CA 0.585 56.212 55.803 -0.294 0.000 0.843 395 Q CB 0.017 28.364 28.738 -0.653 0.000 0.927 395 Q HN 0.438 nan 8.270 nan 0.000 0.487 396 L N 1.285 122.324 121.223 -0.306 0.000 2.554 396 L HA 0.011 4.351 4.340 -0.000 0.000 0.226 396 L C 0.185 177.037 176.870 -0.029 0.000 1.137 396 L CA 0.113 54.868 54.840 -0.142 0.000 0.863 396 L CB -0.105 41.882 42.059 -0.121 0.000 0.985 396 L HN 0.214 nan 8.230 nan 0.000 0.451 397 D N 0.059 120.439 120.400 -0.034 0.000 2.751 397 D HA -0.274 4.366 4.640 -0.000 0.000 0.233 397 D C 0.035 176.373 176.300 0.063 0.000 1.149 397 D CA 0.445 54.443 54.000 -0.004 0.000 0.682 397 D CB -0.926 39.871 40.800 -0.004 0.000 1.068 397 D HN 0.191 nan 8.370 nan 0.000 0.429 398 F N 1.245 121.146 119.950 -0.081 0.000 2.678 398 F HA 0.215 4.742 4.527 -0.000 0.000 0.358 398 F C 1.075 176.843 175.800 -0.053 0.000 1.256 398 F CA -0.068 57.900 58.000 -0.054 0.000 1.278 398 F CB -0.273 38.702 39.000 -0.041 0.000 1.681 398 F HN -0.073 nan 8.300 nan 0.000 0.661 399 N N 1.487 120.043 118.700 -0.240 0.000 2.317 399 N HA 0.116 4.856 4.740 -0.000 0.000 0.199 399 N C -0.646 174.713 175.510 -0.252 0.000 1.145 399 N CA 0.367 53.264 53.050 -0.255 0.000 0.882 399 N CB 1.191 39.593 38.487 -0.141 0.000 1.113 399 N HN 0.161 nan 8.380 nan 0.000 0.486 400 V N 2.201 121.984 119.914 -0.218 0.000 2.487 400 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 400 V C -1.003 174.986 176.094 -0.175 0.000 1.028 400 V CA -0.770 61.435 62.300 -0.159 0.000 0.860 400 V CB 2.401 34.181 31.823 -0.072 0.000 0.991 400 V HN -0.029 nan 8.190 nan 0.000 0.427 401 L N 5.084 126.210 121.223 -0.162 0.000 2.427 401 L HA 0.569 4.909 4.340 -0.000 0.000 0.264 401 L C 0.184 177.033 176.870 -0.036 0.000 0.989 401 L CA 0.294 55.082 54.840 -0.088 0.000 0.865 401 L CB 0.416 42.404 42.059 -0.119 0.000 1.209 401 L HN 0.807 nan 8.230 nan 0.000 0.430 402 N N 3.805 122.500 118.700 -0.009 0.000 2.861 402 N HA -0.209 4.531 4.740 -0.000 0.000 0.247 402 N C -0.035 175.470 175.510 -0.008 0.000 1.117 402 N CA 0.464 53.513 53.050 -0.001 0.000 0.703 402 N CB -0.766 37.723 38.487 0.004 0.000 1.052 402 N HN 0.810 nan 8.380 nan 0.000 0.555 403 N N -1.643 117.050 118.700 -0.013 0.000 2.900 403 N HA -0.185 4.555 4.740 -0.000 0.000 0.240 403 N C -0.883 174.616 175.510 -0.017 0.000 0.953 403 N CA 1.678 54.720 53.050 -0.013 0.000 0.950 403 N CB -0.566 37.918 38.487 -0.005 0.000 1.102 403 N HN 0.569 nan 8.380 nan 0.000 0.593 404 K N 0.876 121.261 120.400 -0.026 0.000 2.130 404 K HA 0.397 4.717 4.320 -0.000 0.000 0.268 404 K C -2.410 174.159 176.600 -0.052 0.000 0.983 404 K CA -1.557 54.712 56.287 -0.029 0.000 0.893 404 K CB 1.300 33.785 32.500 -0.026 0.000 1.066 404 K HN -0.018 nan 8.250 nan 0.000 0.450 405 P HA 0.062 nan 4.420 nan 0.000 0.272 405 P C -0.235 177.009 177.300 -0.093 0.000 1.223 405 P CA -0.390 62.674 63.100 -0.061 0.000 0.784 405 P CB 0.585 32.277 31.700 -0.013 0.000 0.923 406 V N 2.187 122.005 119.914 -0.160 0.000 2.498 406 V HA 0.189 4.309 4.120 -0.000 0.000 0.279 406 V C 1.168 177.197 176.094 -0.108 0.000 1.048 406 V CA -0.063 62.116 62.300 -0.201 0.000 0.967 406 V CB 0.795 32.364 31.823 -0.424 0.000 0.988 406 V HN 0.736 nan 8.190 nan 0.000 0.473 407 S N 4.473 120.127 115.700 -0.077 0.000 2.652 407 S HA 0.372 4.842 4.470 -0.000 0.000 0.270 407 S C 0.818 175.381 174.600 -0.061 0.000 1.243 407 S CA -0.560 57.610 58.200 -0.049 0.000 0.999 407 S CB 1.282 64.451 63.200 -0.052 0.000 0.973 407 S HN 0.525 nan 8.310 nan 0.000 0.544 408 L N 2.466 123.641 121.223 -0.081 0.000 2.012 408 L HA 0.100 4.440 4.340 -0.000 0.000 0.210 408 L C 2.377 179.154 176.870 -0.156 0.000 1.073 408 L CA 2.580 57.336 54.840 -0.139 0.000 0.748 408 L CB -1.612 40.247 42.059 -0.333 0.000 0.891 408 L HN 1.011 nan 8.230 nan 0.000 0.431 409 G N -1.546 107.144 108.800 -0.183 0.000 2.514 409 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.217 409 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.217 409 G C 1.477 176.304 174.900 -0.122 0.000 1.198 409 G CA 0.872 45.852 45.100 -0.200 0.000 0.780 409 G HN 0.519 nan 8.290 nan 0.000 0.565 410 Q N 0.012 119.771 119.800 -0.069 0.000 2.096 410 Q HA -0.176 4.164 4.340 -0.000 0.000 0.208 410 Q C 3.018 179.051 176.000 0.055 0.000 0.993 410 Q CA 1.690 57.488 55.803 -0.008 0.000 0.862 410 Q CB -0.313 28.420 28.738 -0.008 0.000 0.915 410 Q HN 0.502 nan 8.270 nan 0.000 0.416 411 A N 0.404 123.261 122.820 0.061 0.000 1.873 411 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 411 A C 2.040 179.686 177.584 0.104 0.000 1.186 411 A CA 1.116 53.247 52.037 0.156 0.000 0.616 411 A CB -0.742 18.340 19.000 0.137 0.000 0.823 411 A HN 0.337 nan 8.150 nan 0.000 0.442 412 L N -0.724 120.517 121.223 0.030 0.000 2.043 412 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 412 L C 2.630 179.533 176.870 0.054 0.000 1.075 412 L CA 1.936 56.798 54.840 0.036 0.000 0.752 412 L CB -0.523 41.474 42.059 -0.102 0.000 0.891 412 L HN 0.507 nan 8.230 nan 0.000 0.432 413 E N -0.471 119.739 120.200 0.016 0.000 2.012 413 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 413 E C 2.252 178.890 176.600 0.064 0.000 1.007 413 E CA 1.675 58.099 56.400 0.041 0.000 0.816 413 E CB -0.128 29.586 29.700 0.022 0.000 0.762 413 E HN 0.181 nan 8.360 nan 0.000 0.451 414 V N 0.606 120.565 119.914 0.075 0.000 2.370 414 V HA -0.292 3.828 4.120 -0.000 0.000 0.252 414 V C 2.257 178.359 176.094 0.014 0.000 1.068 414 V CA 1.506 63.834 62.300 0.047 0.000 1.061 414 V CB -0.395 31.466 31.823 0.064 0.000 0.656 414 V HN 0.177 nan 8.190 nan 0.000 0.455 415 V N -0.419 119.521 119.914 0.043 0.000 2.244 415 V HA -0.244 3.876 4.120 -0.000 0.000 0.244 415 V C 2.168 178.273 176.094 0.018 0.000 1.042 415 V CA 2.284 64.600 62.300 0.027 0.000 1.006 415 V CB -0.415 31.448 31.823 0.066 0.000 0.641 415 V HN 0.433 nan 8.190 nan 0.000 0.446 416 I N -0.328 120.297 120.570 0.091 0.000 2.185 416 I HA -0.399 3.771 4.170 -0.000 0.000 0.246 416 I C 2.645 178.798 176.117 0.060 0.000 1.088 416 I CA 1.858 63.243 61.300 0.142 0.000 1.347 416 I CB -0.504 37.647 38.000 0.251 0.000 1.041 416 I HN 0.452 nan 8.210 nan 0.000 0.415 417 Q N 0.267 120.095 119.800 0.048 0.000 1.993 417 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 417 Q C 2.228 178.217 176.000 -0.018 0.000 0.984 417 Q CA 1.400 57.220 55.803 0.028 0.000 0.837 417 Q CB -0.238 28.516 28.738 0.028 0.000 0.902 417 Q HN 0.303 nan 8.270 nan 0.000 0.423 418 L N 0.960 122.159 121.223 -0.041 0.000 2.351 418 L HA -0.240 4.100 4.340 -0.000 0.000 0.220 418 L C 2.186 178.993 176.870 -0.105 0.000 1.127 418 L CA 1.557 56.361 54.840 -0.060 0.000 0.786 418 L CB -0.485 41.530 42.059 -0.073 0.000 0.914 418 L HN 0.238 nan 8.230 nan 0.000 0.443 419 Q N -0.884 118.788 119.800 -0.213 0.000 2.123 419 Q HA -0.078 4.262 4.340 -0.000 0.000 0.196 419 Q C 2.158 177.953 176.000 -0.343 0.000 0.958 419 Q CA 0.890 56.423 55.803 -0.451 0.000 0.841 419 Q CB -0.117 27.997 28.738 -1.040 0.000 0.915 419 Q HN 0.545 nan 8.270 nan 0.000 0.455 420 E N 1.231 121.324 120.200 -0.177 0.000 2.038 420 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 420 E C 1.960 178.573 176.600 0.023 0.000 1.000 420 E CA 1.500 57.916 56.400 0.027 0.000 0.803 420 E CB -0.093 29.669 29.700 0.104 0.000 0.750 420 E HN 0.245 nan 8.360 nan 0.000 0.448 421 K N 0.438 120.846 120.400 0.013 0.000 2.034 421 K HA -0.336 3.984 4.320 -0.000 0.000 0.214 421 K C 2.232 178.851 176.600 0.032 0.000 1.051 421 K CA 2.230 58.531 56.287 0.022 0.000 0.931 421 K CB -0.336 32.174 32.500 0.017 0.000 0.715 421 K HN 0.197 nan 8.250 nan 0.000 0.446 422 H N -0.069 118.966 119.070 -0.059 0.000 2.321 422 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 422 H C 1.863 177.174 175.328 -0.028 0.000 1.087 422 H CA 2.031 58.048 56.048 -0.051 0.000 1.319 422 H CB -0.291 29.423 29.762 -0.081 0.000 1.379 422 H HN 0.070 nan 8.280 nan 0.000 0.501 423 V N 0.955 120.833 119.914 -0.060 0.000 2.363 423 V HA -0.348 3.772 4.120 -0.000 0.000 0.254 423 V C 2.240 178.280 176.094 -0.090 0.000 1.074 423 V CA 2.474 64.731 62.300 -0.071 0.000 1.069 423 V CB -0.409 31.458 31.823 0.073 0.000 0.659 423 V HN 0.513 nan 8.190 nan 0.000 0.455 424 K N -0.776 119.595 120.400 -0.048 0.000 2.021 424 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 424 K C 1.910 178.488 176.600 -0.035 0.000 1.047 424 K CA 1.383 57.663 56.287 -0.011 0.000 0.943 424 K CB -0.395 32.116 32.500 0.018 0.000 0.725 424 K HN 0.458 nan 8.250 nan 0.000 0.439 425 D N 1.200 121.559 120.400 -0.069 0.000 2.203 425 D HA -0.195 4.445 4.640 -0.000 0.000 0.199 425 D C 1.774 178.010 176.300 -0.106 0.000 0.997 425 D CA 1.161 55.120 54.000 -0.067 0.000 0.863 425 D CB 0.069 40.834 40.800 -0.057 0.000 0.928 425 D HN 0.195 nan 8.370 nan 0.000 0.458 426 E N 0.949 121.014 120.200 -0.224 0.000 2.031 426 E HA -0.145 4.204 4.350 -0.000 0.000 0.193 426 E C 2.205 178.763 176.600 -0.070 0.000 0.994 426 E CA 0.791 57.070 56.400 -0.201 0.000 0.800 426 E CB -0.326 29.200 29.700 -0.290 0.000 0.752 426 E HN 0.440 nan 8.360 nan 0.000 0.447 427 Q N 0.099 119.888 119.800 -0.018 0.000 2.050 427 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 427 Q C 2.449 178.603 176.000 0.257 0.000 0.980 427 Q CA 0.980 56.844 55.803 0.101 0.000 0.840 427 Q CB -0.139 28.730 28.738 0.218 0.000 0.898 427 Q HN 0.258 nan 8.270 nan 0.000 0.424 428 I N 1.096 121.784 120.570 0.197 0.000 2.091 428 I HA -0.366 3.804 4.170 -0.000 0.000 0.239 428 I C 2.433 178.641 176.117 0.153 0.000 1.061 428 I CA 1.954 63.370 61.300 0.193 0.000 1.317 428 I CB -0.394 37.666 38.000 0.100 0.000 1.031 428 I HN 0.357 nan 8.210 nan 0.000 0.401 429 E N -0.059 120.187 120.200 0.078 0.000 2.265 429 E HA -0.299 4.051 4.350 -0.000 0.000 0.196 429 E C 2.118 178.739 176.600 0.035 0.000 0.996 429 E CA 1.373 57.800 56.400 0.046 0.000 0.832 429 E CB -0.458 29.252 29.700 0.016 0.000 0.756 429 E HN 0.617 nan 8.360 nan 0.000 0.491 430 H N -0.267 118.744 119.070 -0.099 0.000 2.372 430 H HA -0.065 4.491 4.556 -0.000 0.000 0.301 430 H C 1.022 176.193 175.328 -0.261 0.000 1.065 430 H CA 1.520 57.423 56.048 -0.242 0.000 1.364 430 H CB -0.243 29.270 29.762 -0.414 0.000 1.406 430 H HN 0.348 nan 8.280 nan 0.000 0.521 431 W N 1.596 122.911 121.300 0.026 0.000 2.467 431 W HA 0.062 4.722 4.660 -0.000 0.000 0.275 431 W C 2.527 179.007 176.519 -0.064 0.000 1.239 431 W CA -0.016 57.301 57.345 -0.046 0.000 1.266 431 W CB 0.160 29.640 29.460 0.034 0.000 1.112 431 W HN 0.061 nan 8.180 nan 0.000 0.576 432 K N 0.625 121.112 120.400 0.144 0.000 2.365 432 K HA -0.106 4.214 4.320 -0.000 0.000 0.199 432 K C 1.760 178.365 176.600 0.008 0.000 1.045 432 K CA 0.866 57.196 56.287 0.071 0.000 0.962 432 K CB -0.046 32.489 32.500 0.058 0.000 0.759 432 K HN 0.164 nan 8.250 nan 0.000 0.469 433 K N 0.842 121.210 120.400 -0.052 0.000 2.166 433 K HA 0.112 4.432 4.320 -0.000 0.000 0.201 433 K C 1.989 178.523 176.600 -0.110 0.000 1.052 433 K CA 0.196 56.426 56.287 -0.093 0.000 0.969 433 K CB 0.239 32.652 32.500 -0.146 0.000 0.761 433 K HN -0.020 nan 8.250 nan 0.000 0.459 434 I N 1.327 121.805 120.570 -0.154 0.000 2.163 434 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 434 I C 2.316 178.429 176.117 -0.007 0.000 1.085 434 I CA 1.519 62.763 61.300 -0.094 0.000 1.347 434 I CB -0.322 37.643 38.000 -0.060 0.000 1.044 434 I HN 0.122 nan 8.210 nan 0.000 0.408 435 V N -1.099 118.833 119.914 0.030 0.000 2.270 435 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 435 V C 2.420 178.517 176.094 0.006 0.000 1.043 435 V CA 1.647 63.964 62.300 0.029 0.000 1.014 435 V CB -0.908 30.939 31.823 0.040 0.000 0.645 435 V HN 0.321 nan 8.190 nan 0.000 0.447 436 K N -0.306 120.094 120.400 -0.001 0.000 2.211 436 K HA -0.166 4.154 4.320 -0.000 0.000 0.204 436 K C 2.202 178.793 176.600 -0.015 0.000 1.047 436 K CA 1.976 58.258 56.287 -0.008 0.000 0.935 436 K CB -0.297 32.197 32.500 -0.010 0.000 0.728 436 K HN 0.666 nan 8.250 nan 0.000 0.452 437 T N 0.128 114.668 114.554 -0.023 0.000 2.814 437 T HA -0.119 4.231 4.350 -0.000 0.000 0.254 437 T C 1.572 176.262 174.700 -0.017 0.000 1.037 437 T CA 0.974 63.058 62.100 -0.026 0.000 1.143 437 T CB -0.050 68.794 68.868 -0.039 0.000 0.866 437 T HN 0.236 nan 8.240 nan 0.000 0.431 438 Q N 0.828 120.622 119.800 -0.010 0.000 2.515 438 Q HA -0.066 4.274 4.340 -0.000 0.000 0.215 438 Q C 1.672 177.670 176.000 -0.002 0.000 0.983 438 Q CA 1.258 57.060 55.803 -0.001 0.000 0.905 438 Q CB -0.017 28.729 28.738 0.013 0.000 0.961 438 Q HN 0.528 nan 8.270 nan 0.000 0.503 439 E N -1.272 118.925 120.200 -0.005 0.000 2.413 439 E HA -0.005 4.345 4.350 -0.000 0.000 0.203 439 E C 1.187 177.782 176.600 -0.009 0.000 0.957 439 E CA -0.036 56.362 56.400 -0.004 0.000 0.950 439 E CB 0.303 30.002 29.700 -0.002 0.000 0.957 439 E HN 0.419 nan 8.360 nan 0.000 0.497 440 E N 0.694 120.886 120.200 -0.012 0.000 2.110 440 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 440 E C 1.979 178.568 176.600 -0.019 0.000 0.988 440 E CA 0.579 56.969 56.400 -0.016 0.000 0.804 440 E CB 0.169 29.857 29.700 -0.019 0.000 0.745 440 E HN 0.081 nan 8.360 nan 0.000 0.458 441 L N 1.548 122.760 121.223 -0.018 0.000 2.005 441 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 441 L C 2.283 179.143 176.870 -0.017 0.000 1.072 441 L CA 1.723 56.551 54.840 -0.020 0.000 0.744 441 L CB -0.292 41.757 42.059 -0.017 0.000 0.895 441 L HN -0.102 nan 8.230 nan 0.000 0.433 442 K N -0.570 119.824 120.400 -0.010 0.000 2.160 442 K HA -0.234 4.086 4.320 -0.000 0.000 0.206 442 K C 1.929 178.524 176.600 -0.009 0.000 1.047 442 K CA 1.745 58.028 56.287 -0.007 0.000 0.930 442 K CB -0.027 32.470 32.500 -0.004 0.000 0.720 442 K HN 0.484 nan 8.250 nan 0.000 0.450 443 E N 0.281 120.475 120.200 -0.011 0.000 2.112 443 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 443 E C 2.062 178.652 176.600 -0.016 0.000 0.979 443 E CA 0.543 56.937 56.400 -0.011 0.000 0.814 443 E CB -0.004 29.689 29.700 -0.011 0.000 0.762 443 E HN 0.170 nan 8.360 nan 0.000 0.460 444 L N 1.206 122.414 121.223 -0.024 0.000 2.005 444 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 444 L C 2.284 179.131 176.870 -0.039 0.000 1.072 444 L CA 1.322 56.139 54.840 -0.037 0.000 0.744 444 L CB -0.384 41.646 42.059 -0.049 0.000 0.895 444 L HN 0.097 nan 8.230 nan 0.000 0.433 445 L N -0.591 120.613 121.223 -0.031 0.000 2.081 445 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 445 L C 2.348 179.215 176.870 -0.004 0.000 1.080 445 L CA 1.240 56.067 54.840 -0.022 0.000 0.754 445 L CB -1.050 41.002 42.059 -0.012 0.000 0.893 445 L HN 0.402 nan 8.230 nan 0.000 0.433 446 N N 0.643 119.341 118.700 -0.003 0.000 2.007 446 N HA -0.199 4.541 4.740 -0.000 0.000 0.197 446 N C 1.776 177.292 175.510 0.010 0.000 1.050 446 N CA 1.358 54.411 53.050 0.005 0.000 0.856 446 N CB -0.248 38.241 38.487 0.002 0.000 1.050 446 N HN 0.217 nan 8.380 nan 0.000 0.423 447 K N 0.278 120.678 120.400 0.001 0.000 2.052 447 K HA -0.154 4.166 4.320 -0.000 0.000 0.215 447 K C 2.132 178.745 176.600 0.023 0.000 1.053 447 K CA 1.587 57.877 56.287 0.005 0.000 0.934 447 K CB -0.201 32.293 32.500 -0.011 0.000 0.717 447 K HN 0.222 nan 8.250 nan 0.000 0.450 448 M N -0.075 119.527 119.600 0.003 0.000 2.159 448 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 448 M C 2.210 178.600 176.300 0.149 0.000 1.063 448 M CA 1.132 56.454 55.300 0.036 0.000 1.110 448 M CB -0.103 32.438 32.600 -0.098 0.000 1.374 448 M HN -0.010 nan 8.290 nan 0.000 0.411 449 V N 0.794 120.760 119.914 0.086 0.000 2.427 449 V HA -0.232 3.887 4.120 -0.000 0.000 0.248 449 V C 1.793 177.926 176.094 0.064 0.000 1.051 449 V CA 1.693 64.041 62.300 0.080 0.000 1.048 449 V CB -0.637 31.214 31.823 0.046 0.000 0.666 449 V HN 0.458 nan 8.190 nan 0.000 0.456 450 N N -0.297 118.434 118.700 0.052 0.000 2.309 450 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 450 N C 1.421 176.960 175.510 0.047 0.000 1.018 450 N CA 0.936 54.010 53.050 0.040 0.000 0.876 450 N CB -0.247 38.258 38.487 0.029 0.000 0.972 450 N HN 0.337 nan 8.380 nan 0.000 0.434 451 L N 1.002 122.274 121.223 0.081 0.000 2.162 451 L HA 0.079 4.419 4.340 -0.000 0.000 0.205 451 L C 1.962 178.867 176.870 0.058 0.000 1.086 451 L CA 1.335 56.230 54.840 0.093 0.000 0.778 451 L CB -0.285 41.871 42.059 0.162 0.000 0.928 451 L HN -0.011 nan 8.230 nan 0.000 0.446 452 K N -0.912 119.527 120.400 0.066 0.000 2.280 452 K HA -0.194 4.126 4.320 -0.000 0.000 0.202 452 K C 1.755 178.326 176.600 -0.048 0.000 1.047 452 K CA 0.937 57.183 56.287 -0.069 0.000 0.942 452 K CB 0.233 32.696 32.500 -0.061 0.000 0.739 452 K HN 0.187 nan 8.250 nan 0.000 0.457 453 E N 1.129 121.326 120.200 -0.006 0.000 2.005 453 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 453 E C 1.621 178.217 176.600 -0.007 0.000 0.987 453 E CA 1.249 57.646 56.400 -0.005 0.000 0.814 453 E CB -0.018 29.687 29.700 0.007 0.000 0.772 453 E HN 0.111 nan 8.360 nan 0.000 0.453 454 K N 0.123 120.524 120.400 0.002 0.000 2.107 454 K HA -0.217 4.103 4.320 -0.000 0.000 0.211 454 K C 2.218 178.814 176.600 -0.008 0.000 1.049 454 K CA 1.499 57.788 56.287 0.003 0.000 0.927 454 K CB -0.384 32.122 32.500 0.010 0.000 0.714 454 K HN 0.173 nan 8.250 nan 0.000 0.452 455 I N 0.676 121.229 120.570 -0.029 0.000 2.110 455 I HA -0.312 3.858 4.170 -0.000 0.000 0.236 455 I C 2.545 178.644 176.117 -0.031 0.000 1.068 455 I CA 1.194 62.462 61.300 -0.053 0.000 1.333 455 I CB -0.316 37.610 38.000 -0.124 0.000 1.054 455 I HN 0.189 nan 8.210 nan 0.000 0.402 456 K N 0.644 121.013 120.400 -0.052 0.000 2.127 456 K HA -0.318 4.002 4.320 -0.000 0.000 0.212 456 K C 2.110 178.733 176.600 0.038 0.000 1.050 456 K CA 2.172 58.443 56.287 -0.027 0.000 0.929 456 K CB -0.155 32.323 32.500 -0.037 0.000 0.715 456 K HN 0.317 nan 8.250 nan 0.000 0.457 457 E N 0.248 120.464 120.200 0.027 0.000 2.170 457 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 457 E C 2.158 178.786 176.600 0.048 0.000 0.981 457 E CA 0.248 56.670 56.400 0.037 0.000 0.830 457 E CB 0.099 29.811 29.700 0.020 0.000 0.775 457 E HN 0.354 nan 8.360 nan 0.000 0.470 458 L N 0.365 121.613 121.223 0.042 0.000 2.046 458 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 458 L C 2.593 179.510 176.870 0.079 0.000 1.077 458 L CA 1.666 56.531 54.840 0.042 0.000 0.747 458 L CB -0.518 41.548 42.059 0.012 0.000 0.896 458 L HN 0.308 nan 8.230 nan 0.000 0.432 459 H N -0.622 118.440 119.070 -0.012 0.000 2.352 459 H HA -0.256 4.300 4.556 -0.000 0.000 0.299 459 H C 2.260 177.638 175.328 0.083 0.000 1.097 459 H CA 2.029 58.084 56.048 0.012 0.000 1.311 459 H CB 0.165 29.906 29.762 -0.035 0.000 1.377 459 H HN 0.172 nan 8.280 nan 0.000 0.504 460 Q N 0.714 120.593 119.800 0.131 0.000 2.030 460 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 460 Q C 2.381 178.388 176.000 0.011 0.000 0.986 460 Q CA 2.222 58.062 55.803 0.061 0.000 0.843 460 Q CB -0.356 28.421 28.738 0.064 0.000 0.904 460 Q HN 0.683 nan 8.270 nan 0.000 0.420 461 Q N -1.414 118.403 119.800 0.028 0.000 2.045 461 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 461 Q C 1.990 177.996 176.000 0.012 0.000 0.991 461 Q CA 1.918 57.731 55.803 0.016 0.000 0.851 461 Q CB -0.445 28.308 28.738 0.025 0.000 0.911 461 Q HN 0.571 nan 8.270 nan 0.000 0.418 462 Y N 1.426 121.662 120.300 -0.107 0.000 2.145 462 Y HA -0.302 4.248 4.550 -0.000 0.000 0.286 462 Y C 2.224 178.032 175.900 -0.153 0.000 1.145 462 Y CA 1.845 59.871 58.100 -0.124 0.000 1.148 462 Y CB -0.064 38.314 38.460 -0.136 0.000 0.981 462 Y HN -0.107 nan 8.280 nan 0.000 0.507 463 K N 0.860 121.200 120.400 -0.100 0.000 2.015 463 K HA -0.249 4.071 4.320 -0.000 0.000 0.216 463 K C 1.997 178.483 176.600 -0.190 0.000 1.052 463 K CA 2.433 58.608 56.287 -0.187 0.000 0.937 463 K CB -0.485 31.931 32.500 -0.139 0.000 0.719 463 K HN 0.546 nan 8.250 nan 0.000 0.446 464 E N -0.927 119.202 120.200 -0.119 0.000 2.219 464 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 464 E C 1.074 177.601 176.600 -0.122 0.000 0.998 464 E CA 1.001 57.345 56.400 -0.093 0.000 0.818 464 E CB -0.128 29.541 29.700 -0.053 0.000 0.741 464 E HN 0.413 nan 8.360 nan 0.000 0.477 465 A N -0.071 122.642 122.820 -0.177 0.000 2.359 465 A HA 0.143 4.463 4.320 -0.000 0.000 0.240 465 A C 1.551 178.991 177.584 -0.241 0.000 1.306 465 A CA 0.241 52.169 52.037 -0.182 0.000 0.898 465 A CB 0.260 19.158 19.000 -0.171 0.000 0.956 465 A HN 0.024 nan 8.150 nan 0.000 0.497 466 S N -1.934 113.618 115.700 -0.247 0.000 2.882 466 S HA 0.261 4.731 4.470 -0.000 0.000 0.258 466 S C 0.973 175.481 174.600 -0.152 0.000 1.081 466 S CA 0.471 58.514 58.200 -0.262 0.000 0.886 466 S CB 0.160 63.098 63.200 -0.437 0.000 0.855 466 S HN 0.467 nan 8.310 nan 0.000 0.467 467 E N 0.495 120.630 120.200 -0.109 0.000 4.072 467 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 467 E C 0.043 176.601 176.600 -0.071 0.000 1.247 467 E CA 1.847 58.194 56.400 -0.088 0.000 2.229 467 E CB -1.234 28.405 29.700 -0.100 0.000 1.859 467 E HN 0.283 nan 8.360 nan 0.000 0.321 468 V N 3.151 123.018 119.914 -0.079 0.000 2.393 468 V HA -0.011 4.109 4.120 -0.000 0.000 0.257 468 V C 0.648 176.709 176.094 -0.055 0.000 1.040 468 V CA 0.364 62.629 62.300 -0.057 0.000 1.097 468 V CB 0.184 31.976 31.823 -0.053 0.000 1.101 468 V HN 0.119 nan 8.190 nan 0.000 0.479 469 K N 6.931 127.306 120.400 -0.042 0.000 2.436 469 K HA 0.209 4.529 4.320 -0.000 0.000 0.275 469 K C -1.850 174.733 176.600 -0.029 0.000 0.999 469 K CA -1.025 55.240 56.287 -0.036 0.000 0.980 469 K CB 0.611 33.095 32.500 -0.027 0.000 0.919 469 K HN 0.407 nan 8.250 nan 0.000 0.484 470 P HA 0.196 nan 4.420 nan 0.000 0.274 470 P C -2.346 174.945 177.300 -0.015 0.000 1.260 470 P CA -0.898 62.189 63.100 -0.020 0.000 0.793 470 P CB -0.588 31.100 31.700 -0.019 0.000 1.048 471 P HA 0.437 nan 4.420 nan 0.000 0.282 471 P C -0.635 176.660 177.300 -0.009 0.000 1.259 471 P CA -0.520 62.574 63.100 -0.010 0.000 0.826 471 P CB 1.269 32.965 31.700 -0.007 0.000 1.064 472 R N 0.794 121.290 120.500 -0.006 0.000 2.740 472 R HA 0.355 4.695 4.340 -0.000 0.000 0.282 472 R C -0.187 176.116 176.300 0.004 0.000 0.969 472 R CA -0.834 55.264 56.100 -0.003 0.000 0.918 472 R CB 1.301 31.598 30.300 -0.005 0.000 1.175 472 R HN 0.558 nan 8.270 nan 0.000 0.464 473 D N 1.143 121.548 120.400 0.007 0.000 2.363 473 D HA -0.054 4.586 4.640 -0.000 0.000 0.240 473 D C 0.939 177.253 176.300 0.022 0.000 1.236 473 D CA -0.495 53.511 54.000 0.011 0.000 0.927 473 D CB 0.754 41.559 40.800 0.008 0.000 1.150 473 D HN 0.349 nan 8.370 nan 0.000 0.458 474 I N 0.214 120.797 120.570 0.022 0.000 2.394 474 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 474 I C 2.296 178.458 176.117 0.075 0.000 1.136 474 I CA 1.940 63.262 61.300 0.037 0.000 1.425 474 I CB -0.805 37.205 38.000 0.016 0.000 1.079 474 I HN 0.743 nan 8.210 nan 0.000 0.425 475 T N -1.312 113.279 114.554 0.062 0.000 2.737 475 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 475 T C 2.045 176.840 174.700 0.158 0.000 1.038 475 T CA 1.069 63.239 62.100 0.116 0.000 1.144 475 T CB -0.973 67.934 68.868 0.066 0.000 0.866 475 T HN 0.262 nan 8.240 nan 0.000 0.434 476 A N 1.206 124.076 122.820 0.083 0.000 2.076 476 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 476 A C 2.213 179.823 177.584 0.042 0.000 1.160 476 A CA 2.001 54.069 52.037 0.051 0.000 0.653 476 A CB -0.775 18.236 19.000 0.019 0.000 0.801 476 A HN 0.655 nan 8.150 nan 0.000 0.455 477 E N -1.299 118.943 120.200 0.070 0.000 2.140 477 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 477 E C 1.506 178.163 176.600 0.095 0.000 0.973 477 E CA 0.674 57.107 56.400 0.055 0.000 0.829 477 E CB -0.397 29.334 29.700 0.052 0.000 0.781 477 E HN 0.501 nan 8.360 nan 0.000 0.466 478 F N 0.653 120.601 119.950 -0.002 0.000 2.095 478 F HA -0.177 4.350 4.527 0.000 0.000 0.298 478 F C 1.796 177.608 175.800 0.019 0.000 1.104 478 F CA 1.357 59.362 58.000 0.009 0.000 1.232 478 F CB -0.653 38.352 39.000 0.008 0.000 0.987 478 F HN 0.189 nan 8.300 nan 0.000 0.475 479 L N 0.144 121.320 121.223 -0.077 0.000 1.944 479 L HA -0.243 4.097 4.340 -0.000 0.000 0.218 479 L C 2.463 179.235 176.870 -0.164 0.000 1.075 479 L CA 2.120 56.856 54.840 -0.172 0.000 0.767 479 L CB -1.213 40.823 42.059 -0.038 0.000 0.890 479 L HN 0.087 nan 8.230 nan 0.000 0.434 480 V N 0.045 119.898 119.914 -0.102 0.000 2.233 480 V HA -0.418 3.702 4.120 -0.000 0.000 0.252 480 V C 2.749 178.858 176.094 0.025 0.000 1.063 480 V CA 2.298 64.546 62.300 -0.086 0.000 1.032 480 V CB -0.837 30.908 31.823 -0.130 0.000 0.645 480 V HN 0.469 nan 8.190 nan 0.000 0.446 481 K N -0.027 120.349 120.400 -0.041 0.000 2.009 481 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 481 K C 2.511 179.076 176.600 -0.058 0.000 1.049 481 K CA 1.906 58.176 56.287 -0.028 0.000 0.929 481 K CB -0.999 31.480 32.500 -0.036 0.000 0.714 481 K HN 0.542 nan 8.250 nan 0.000 0.440 482 S N 1.326 116.838 115.700 -0.314 0.000 2.365 482 S HA -0.184 4.286 4.470 -0.000 0.000 0.221 482 S C 1.891 176.411 174.600 -0.133 0.000 1.037 482 S CA 1.545 59.514 58.200 -0.386 0.000 1.060 482 S CB -0.064 62.595 63.200 -0.903 0.000 0.974 482 S HN 0.143 nan 8.310 nan 0.000 0.427 483 K N 0.790 121.145 120.400 -0.075 0.000 2.127 483 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 483 K C 2.127 178.774 176.600 0.079 0.000 1.047 483 K CA 1.670 57.981 56.287 0.040 0.000 0.927 483 K CB -1.161 31.415 32.500 0.126 0.000 0.716 483 K HN 0.710 nan 8.250 nan 0.000 0.450 484 H N 1.288 120.397 119.070 0.064 0.000 2.293 484 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 484 H C 2.249 177.521 175.328 -0.093 0.000 1.082 484 H CA 1.737 57.743 56.048 -0.070 0.000 1.308 484 H CB 0.104 29.896 29.762 0.049 0.000 1.375 484 H HN 0.108 nan 8.280 nan 0.000 0.495 485 R N 0.609 121.181 120.500 0.120 0.000 2.122 485 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 485 R C 1.715 177.991 176.300 -0.041 0.000 1.129 485 R CA 2.330 58.457 56.100 0.045 0.000 0.925 485 R CB -0.488 29.839 30.300 0.044 0.000 0.850 485 R HN 0.356 nan 8.270 nan 0.000 0.431 486 D N 0.848 121.224 120.400 -0.039 0.000 2.133 486 D HA -0.223 4.417 4.640 -0.000 0.000 0.192 486 D C 1.853 178.109 176.300 -0.074 0.000 1.001 486 D CA 1.239 55.214 54.000 -0.043 0.000 0.844 486 D CB -0.427 40.354 40.800 -0.031 0.000 0.944 486 D HN 0.219 nan 8.370 nan 0.000 0.447 487 L N 0.357 121.505 121.223 -0.125 0.000 2.191 487 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 487 L C 1.955 178.713 176.870 -0.186 0.000 1.103 487 L CA 1.500 56.240 54.840 -0.168 0.000 0.769 487 L CB -0.455 41.448 42.059 -0.260 0.000 0.908 487 L HN 0.018 nan 8.230 nan 0.000 0.438 488 T N -1.110 113.321 114.554 -0.206 0.000 2.894 488 T HA 0.033 4.383 4.350 -0.000 0.000 0.258 488 T C 1.967 176.620 174.700 -0.078 0.000 1.043 488 T CA 0.791 62.793 62.100 -0.163 0.000 1.141 488 T CB -0.459 68.309 68.868 -0.167 0.000 0.873 488 T HN 0.425 nan 8.240 nan 0.000 0.449 489 A N 2.241 125.028 122.820 -0.054 0.000 1.884 489 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 489 A C 2.246 179.822 177.584 -0.015 0.000 1.197 489 A CA 1.521 53.543 52.037 -0.024 0.000 0.637 489 A CB -1.145 17.846 19.000 -0.015 0.000 0.827 489 A HN 0.487 nan 8.150 nan 0.000 0.450 490 L N -1.054 120.156 121.223 -0.022 0.000 2.362 490 L HA -0.183 4.157 4.340 -0.000 0.000 0.219 490 L C 2.115 178.993 176.870 0.014 0.000 1.134 490 L CA 0.751 55.590 54.840 -0.001 0.000 0.807 490 L CB -0.637 41.414 42.059 -0.014 0.000 0.927 490 L HN 0.532 nan 8.230 nan 0.000 0.447 491 C N -1.162 118.129 119.300 -0.016 0.000 2.673 491 C HA 0.012 4.472 4.460 -0.000 0.000 0.264 491 C C 2.615 177.624 174.990 0.031 0.000 1.304 491 C CA -0.202 58.815 59.018 -0.001 0.000 1.727 491 C CB 0.010 27.714 27.740 -0.059 0.000 1.932 491 C HN 0.367 nan 8.230 nan 0.000 0.563 492 K N 1.847 122.256 120.400 0.015 0.000 1.973 492 K HA -0.083 4.237 4.320 -0.000 0.000 0.210 492 K C 1.885 178.506 176.600 0.035 0.000 1.045 492 K CA 1.530 57.828 56.287 0.019 0.000 0.937 492 K CB -0.252 32.252 32.500 0.007 0.000 0.721 492 K HN 0.456 nan 8.250 nan 0.000 0.438 493 E N -0.763 119.459 120.200 0.037 0.000 2.035 493 E HA -0.281 4.068 4.350 -0.000 0.000 0.204 493 E C 1.905 178.540 176.600 0.058 0.000 1.025 493 E CA 1.963 58.386 56.400 0.038 0.000 0.835 493 E CB -0.453 29.272 29.700 0.041 0.000 0.764 493 E HN 0.420 nan 8.360 nan 0.000 0.457 494 Y N 1.345 121.630 120.300 -0.025 0.000 2.651 494 Y HA -0.217 4.333 4.550 -0.000 0.000 0.293 494 Y C 1.347 177.233 175.900 -0.024 0.000 1.151 494 Y CA 1.122 59.207 58.100 -0.024 0.000 1.362 494 Y CB 0.175 38.618 38.460 -0.029 0.000 0.973 494 Y HN 0.034 nan 8.280 nan 0.000 0.561 495 D N -0.563 119.895 120.400 0.097 0.000 2.323 495 D HA -0.103 4.537 4.640 -0.000 0.000 0.218 495 D C 1.850 178.131 176.300 -0.032 0.000 0.973 495 D CA 0.808 54.831 54.000 0.038 0.000 0.890 495 D CB -0.015 40.824 40.800 0.064 0.000 1.011 495 D HN 0.467 nan 8.370 nan 0.000 0.499 496 E N 0.531 120.713 120.200 -0.029 0.000 2.209 496 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 496 E C 1.828 178.381 176.600 -0.078 0.000 0.993 496 E CA 0.600 56.975 56.400 -0.042 0.000 0.819 496 E CB 0.032 29.715 29.700 -0.028 0.000 0.745 496 E HN 0.252 nan 8.360 nan 0.000 0.477 497 L N 0.304 121.450 121.223 -0.128 0.000 2.341 497 L HA 0.061 4.401 4.340 -0.000 0.000 0.214 497 L C 2.233 178.964 176.870 -0.232 0.000 1.115 497 L CA 1.013 55.745 54.840 -0.180 0.000 0.820 497 L CB -0.415 41.514 42.059 -0.217 0.000 0.944 497 L HN 0.028 nan 8.230 nan 0.000 0.452 498 A N -1.072 121.588 122.820 -0.266 0.000 2.123 498 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 498 A C 2.181 179.700 177.584 -0.108 0.000 1.152 498 A CA 0.938 52.849 52.037 -0.210 0.000 0.728 498 A CB -0.205 18.679 19.000 -0.193 0.000 0.814 498 A HN 0.378 nan 8.150 nan 0.000 0.464 499 E N -0.025 120.122 120.200 -0.087 0.000 2.001 499 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 499 E C 1.948 178.514 176.600 -0.056 0.000 1.002 499 E CA 2.149 58.516 56.400 -0.056 0.000 0.819 499 E CB -0.561 29.112 29.700 -0.044 0.000 0.769 499 E HN 0.372 nan 8.360 nan 0.000 0.454 500 T N 0.635 115.151 114.554 -0.063 0.000 2.653 500 T HA -0.290 4.060 4.350 -0.000 0.000 0.268 500 T C 1.798 176.462 174.700 -0.060 0.000 1.035 500 T CA 1.762 63.828 62.100 -0.057 0.000 1.154 500 T CB -0.413 68.419 68.868 -0.060 0.000 0.862 500 T HN 0.337 nan 8.240 nan 0.000 0.441 501 Q N 0.252 120.005 119.800 -0.079 0.000 2.135 501 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 501 Q C 2.520 178.490 176.000 -0.051 0.000 0.981 501 Q CA 1.764 57.525 55.803 -0.070 0.000 0.856 501 Q CB -0.583 28.099 28.738 -0.093 0.000 0.902 501 Q HN 0.600 nan 8.270 nan 0.000 0.425 502 G N 0.709 109.480 108.800 -0.049 0.000 2.440 502 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 502 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 502 G C 1.318 176.201 174.900 -0.029 0.000 1.154 502 G CA 0.994 46.073 45.100 -0.034 0.000 0.767 502 G HN 0.194 nan 8.290 nan 0.000 0.552 503 K N 0.505 120.887 120.400 -0.031 0.000 1.975 503 K HA -0.048 4.272 4.320 -0.000 0.000 0.225 503 K C 2.555 179.139 176.600 -0.027 0.000 1.050 503 K CA 1.102 57.373 56.287 -0.027 0.000 0.992 503 K CB -1.130 31.352 32.500 -0.029 0.000 0.738 503 K HN 0.319 nan 8.250 nan 0.000 0.446 504 L N 0.876 122.081 121.223 -0.029 0.000 1.997 504 L HA -0.271 4.069 4.340 -0.000 0.000 0.216 504 L C 2.302 179.157 176.870 -0.024 0.000 1.074 504 L CA 1.674 56.497 54.840 -0.028 0.000 0.763 504 L CB -0.716 41.325 42.059 -0.029 0.000 0.890 504 L HN 0.386 nan 8.230 nan 0.000 0.434 505 E N -0.185 120.001 120.200 -0.024 0.000 2.233 505 E HA -0.275 4.075 4.350 -0.000 0.000 0.199 505 E C 2.031 178.623 176.600 -0.014 0.000 1.004 505 E CA 1.814 58.203 56.400 -0.018 0.000 0.819 505 E CB -0.007 29.682 29.700 -0.018 0.000 0.738 505 E HN 0.668 nan 8.360 nan 0.000 0.478 506 E N 0.428 120.618 120.200 -0.017 0.000 2.290 506 E HA -0.064 4.286 4.350 -0.000 0.000 0.197 506 E C 1.867 178.456 176.600 -0.018 0.000 0.948 506 E CA 0.085 56.477 56.400 -0.015 0.000 0.895 506 E CB -0.148 29.544 29.700 -0.014 0.000 0.865 506 E HN -0.042 nan 8.360 nan 0.000 0.486 507 K N 0.899 121.286 120.400 -0.023 0.000 2.286 507 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 507 K C 2.085 178.664 176.600 -0.035 0.000 1.045 507 K CA 0.780 57.050 56.287 -0.029 0.000 0.935 507 K CB 0.014 32.496 32.500 -0.030 0.000 0.737 507 K HN 0.238 nan 8.250 nan 0.000 0.460 508 L N 0.135 121.340 121.223 -0.029 0.000 2.162 508 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 508 L C 2.206 179.064 176.870 -0.020 0.000 1.086 508 L CA 0.857 55.679 54.840 -0.029 0.000 0.778 508 L CB -0.118 41.933 42.059 -0.015 0.000 0.928 508 L HN 0.250 nan 8.230 nan 0.000 0.446 509 Q N -0.561 119.232 119.800 -0.012 0.000 2.435 509 Q HA -0.179 4.161 4.340 -0.000 0.000 0.207 509 Q C 1.490 177.486 176.000 -0.008 0.000 0.956 509 Q CA 0.523 56.324 55.803 -0.003 0.000 0.917 509 Q CB 0.290 29.028 28.738 -0.001 0.000 0.997 509 Q HN 0.369 nan 8.270 nan 0.000 0.497 510 E N 1.541 121.731 120.200 -0.017 0.000 1.993 510 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 510 E C 1.849 178.437 176.600 -0.019 0.000 0.999 510 E CA 1.131 57.520 56.400 -0.019 0.000 0.850 510 E CB -0.385 29.299 29.700 -0.026 0.000 0.796 510 E HN 0.179 nan 8.360 nan 0.000 0.482 511 L N 0.455 121.653 121.223 -0.043 0.000 2.021 511 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 511 L C 2.610 179.477 176.870 -0.006 0.000 1.074 511 L CA 2.036 56.841 54.840 -0.059 0.000 0.760 511 L CB -0.820 41.108 42.059 -0.217 0.000 0.889 511 L HN 0.380 nan 8.230 nan 0.000 0.433 512 E N -0.055 120.124 120.200 -0.035 0.000 2.510 512 E HA -0.139 4.211 4.350 -0.000 0.000 0.202 512 E C 1.651 178.267 176.600 0.027 0.000 1.072 512 E CA 0.659 57.065 56.400 0.010 0.000 0.883 512 E CB 0.161 29.886 29.700 0.042 0.000 0.818 512 E HN 0.502 nan 8.360 nan 0.000 0.548 513 A N 0.219 123.046 122.820 0.012 0.000 2.287 513 A HA 0.130 4.450 4.320 -0.000 0.000 0.214 513 A C 0.393 177.968 177.584 -0.015 0.000 1.228 513 A CA -0.351 51.689 52.037 0.004 0.000 0.939 513 A CB 0.489 19.490 19.000 0.002 0.000 0.992 513 A HN 0.045 nan 8.150 nan 0.000 0.502 514 N N 2.203 120.894 118.700 -0.015 0.000 3.228 514 N HA 0.302 5.042 4.740 -0.000 0.000 0.289 514 N C -3.028 172.390 175.510 -0.153 0.000 1.419 514 N CA -1.236 51.783 53.050 -0.050 0.000 1.088 514 N CB 0.492 38.964 38.487 -0.025 0.000 1.357 514 N HN 0.301 nan 8.380 nan 0.000 0.504 515 P HA 0.316 nan 4.420 nan 0.000 0.277 515 P C -2.292 174.741 177.300 -0.444 0.000 1.240 515 P CA -0.951 61.815 63.100 -0.555 0.000 0.798 515 P CB 0.323 31.836 31.700 -0.312 0.000 0.979 516 P HA 0.143 nan 4.420 nan 0.000 0.277 516 P C -0.389 176.811 177.300 -0.166 0.000 1.271 516 P CA -0.366 62.562 63.100 -0.287 0.000 0.795 516 P CB 0.336 31.869 31.700 -0.279 0.000 1.101 517 S N 0.587 116.239 115.700 -0.080 0.000 2.573 517 S HA -0.070 4.399 4.470 -0.000 0.000 0.297 517 S C 1.105 175.706 174.600 0.001 0.000 1.280 517 S CA 0.067 58.254 58.200 -0.020 0.000 1.061 517 S CB -0.055 63.161 63.200 0.028 0.000 0.812 517 S HN 0.569 nan 8.310 nan 0.000 0.500 518 D N 1.412 121.824 120.400 0.020 0.000 2.107 518 D HA -0.053 4.587 4.640 -0.000 0.000 0.204 518 D C 0.687 177.023 176.300 0.060 0.000 0.978 518 D CA 1.079 55.105 54.000 0.044 0.000 0.852 518 D CB 0.043 40.865 40.800 0.038 0.000 1.008 518 D HN 0.430 nan 8.370 nan 0.000 0.458 519 V N -1.135 118.815 119.914 0.059 0.000 2.815 519 V HA 0.313 4.433 4.120 -0.000 0.000 0.314 519 V C 1.009 177.180 176.094 0.128 0.000 1.064 519 V CA -0.952 61.395 62.300 0.079 0.000 0.952 519 V CB 1.322 33.170 31.823 0.043 0.000 1.020 519 V HN 0.144 nan 8.190 nan 0.000 0.439 520 Y N 3.528 123.848 120.300 0.035 0.000 2.133 520 Y HA 0.299 4.849 4.550 -0.000 0.000 0.287 520 Y C 0.435 176.357 175.900 0.037 0.000 1.134 520 Y CA 1.121 59.247 58.100 0.042 0.000 1.133 520 Y CB 0.129 38.622 38.460 0.055 0.000 0.987 520 Y HN 0.546 nan 8.280 nan 0.000 0.502 521 L N 0.457 121.514 121.223 -0.277 0.000 2.493 521 L HA 0.300 4.640 4.340 -0.000 0.000 0.265 521 L C -0.067 176.727 176.870 -0.126 0.000 0.954 521 L CA -0.836 53.804 54.840 -0.333 0.000 0.844 521 L CB 2.011 43.771 42.059 -0.498 0.000 1.302 521 L HN 0.070 nan 8.230 nan 0.000 0.405 522 S N 0.707 116.350 115.700 -0.096 0.000 2.608 522 S HA 0.165 4.635 4.470 -0.000 0.000 0.261 522 S C 1.096 175.675 174.600 -0.034 0.000 1.314 522 S CA -0.099 58.073 58.200 -0.047 0.000 0.992 522 S CB 1.490 64.666 63.200 -0.041 0.000 0.935 522 S HN 0.585 nan 8.310 nan 0.000 0.564 523 S N 0.123 115.815 115.700 -0.014 0.000 2.382 523 S HA -0.079 4.390 4.470 -0.000 0.000 0.228 523 S C 1.976 176.571 174.600 -0.008 0.000 1.027 523 S CA 1.135 59.333 58.200 -0.003 0.000 0.991 523 S CB -0.540 62.663 63.200 0.005 0.000 0.823 523 S HN 0.741 nan 8.310 nan 0.000 0.469 524 R N 0.598 121.087 120.500 -0.018 0.000 2.115 524 R HA -0.067 4.273 4.340 -0.000 0.000 0.226 524 R C 1.311 177.591 176.300 -0.035 0.000 1.100 524 R CA 1.339 57.424 56.100 -0.024 0.000 0.980 524 R CB -0.135 30.147 30.300 -0.030 0.000 0.875 524 R HN 0.293 nan 8.270 nan 0.000 0.445 525 D N 0.337 120.708 120.400 -0.048 0.000 2.077 525 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 525 D C 1.873 178.141 176.300 -0.053 0.000 0.986 525 D CA 1.163 55.122 54.000 -0.067 0.000 0.829 525 D CB -0.260 40.475 40.800 -0.108 0.000 0.983 525 D HN 0.097 nan 8.370 nan 0.000 0.453 526 R N 1.178 121.653 120.500 -0.042 0.000 2.170 526 R HA -0.153 4.187 4.340 -0.000 0.000 0.242 526 R C 2.018 178.341 176.300 0.038 0.000 1.145 526 R CA 1.451 57.553 56.100 0.003 0.000 0.984 526 R CB -0.321 29.994 30.300 0.025 0.000 0.869 526 R HN 0.204 nan 8.270 nan 0.000 0.455 527 Q N -0.254 119.561 119.800 0.026 0.000 2.046 527 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 527 Q C 2.094 178.125 176.000 0.053 0.000 0.975 527 Q CA 2.000 57.828 55.803 0.042 0.000 0.836 527 Q CB -0.087 28.664 28.738 0.021 0.000 0.896 527 Q HN 0.416 nan 8.270 nan 0.000 0.428 528 I N 0.334 120.916 120.570 0.020 0.000 2.226 528 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 528 I C 2.232 178.410 176.117 0.102 0.000 1.100 528 I CA 0.595 61.916 61.300 0.035 0.000 1.374 528 I CB -0.268 37.718 38.000 -0.022 0.000 1.057 528 I HN 0.252 nan 8.210 nan 0.000 0.413 529 L N 0.845 122.077 121.223 0.015 0.000 2.129 529 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 529 L C 1.852 178.586 176.870 -0.227 0.000 1.087 529 L CA 2.012 56.773 54.840 -0.131 0.000 0.757 529 L CB -0.726 41.246 42.059 -0.144 0.000 0.896 529 L HN 0.186 nan 8.230 nan 0.000 0.434 530 D N -1.545 118.877 120.400 0.038 0.000 2.178 530 D HA -0.226 4.414 4.640 -0.000 0.000 0.202 530 D C 1.728 178.100 176.300 0.120 0.000 0.974 530 D CA 1.185 55.288 54.000 0.172 0.000 0.841 530 D CB -0.293 40.615 40.800 0.182 0.000 0.953 530 D HN 0.625 nan 8.370 nan 0.000 0.478 531 W N 1.179 122.424 121.300 -0.093 0.000 2.381 531 W HA -0.177 4.483 4.660 0.000 0.000 0.301 531 W C 2.354 178.731 176.519 -0.236 0.000 1.205 531 W CA 1.363 58.649 57.345 -0.098 0.000 1.285 531 W CB -0.142 29.245 29.460 -0.122 0.000 1.133 531 W HN 0.068 nan 8.180 nan 0.000 0.521 532 H N -0.633 118.511 119.070 0.123 0.000 2.290 532 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 532 H C 2.105 177.107 175.328 -0.544 0.000 1.087 532 H CA 2.191 57.969 56.048 -0.450 0.000 1.291 532 H CB -1.102 27.874 29.762 -1.310 0.000 1.369 532 H HN 0.129 nan 8.280 nan 0.000 0.492 533 F N 1.034 120.847 119.950 -0.229 0.000 2.120 533 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 533 F C 2.844 178.490 175.800 -0.256 0.000 1.095 533 F CA 0.883 58.801 58.000 -0.138 0.000 1.249 533 F CB -1.122 37.842 39.000 -0.059 0.000 0.995 533 F HN 0.145 nan 8.300 nan 0.000 0.480 534 A N -0.235 122.453 122.820 -0.221 0.000 1.902 534 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 534 A C 2.203 179.372 177.584 -0.693 0.000 1.181 534 A CA 1.870 53.530 52.037 -0.629 0.000 0.623 534 A CB -1.243 17.103 19.000 -1.089 0.000 0.818 534 A HN 0.503 nan 8.150 nan 0.000 0.443 535 N N -0.915 117.465 118.700 -0.533 0.000 2.149 535 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 535 N C 1.646 177.241 175.510 0.142 0.000 1.019 535 N CA 1.256 54.258 53.050 -0.080 0.000 0.857 535 N CB -0.123 38.254 38.487 -0.184 0.000 0.997 535 N HN 0.343 nan 8.380 nan 0.000 0.426 536 L N 1.703 122.961 121.223 0.058 0.000 2.072 536 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 536 L C 1.957 178.803 176.870 -0.039 0.000 1.079 536 L CA 1.533 56.416 54.840 0.073 0.000 0.752 536 L CB -0.369 41.744 42.059 0.090 0.000 0.906 536 L HN 0.142 nan 8.230 nan 0.000 0.436 537 E N -1.350 118.788 120.200 -0.104 0.000 2.153 537 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 537 E C 2.021 178.572 176.600 -0.080 0.000 0.988 537 E CA 1.343 57.651 56.400 -0.153 0.000 0.811 537 E CB -0.286 29.287 29.700 -0.211 0.000 0.746 537 E HN 0.523 nan 8.360 nan 0.000 0.466 538 F N 1.751 121.624 119.950 -0.129 0.000 2.098 538 F HA -0.004 4.522 4.527 -0.000 0.000 0.294 538 F C 2.267 178.161 175.800 0.156 0.000 1.107 538 F CA 1.269 59.285 58.000 0.026 0.000 1.234 538 F CB -0.616 38.499 39.000 0.192 0.000 1.002 538 F HN -0.090 nan 8.300 nan 0.000 0.472 539 A N 0.537 123.066 122.820 -0.486 0.000 1.986 539 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 539 A C 1.842 179.365 177.584 -0.101 0.000 1.171 539 A CA 2.066 53.817 52.037 -0.477 0.000 0.640 539 A CB -1.069 17.898 19.000 -0.054 0.000 0.811 539 A HN 0.708 nan 8.150 nan 0.000 0.451 540 N N -0.939 117.757 118.700 -0.007 0.000 2.203 540 N HA 0.323 5.063 4.740 -0.000 0.000 0.207 540 N C 0.353 175.887 175.510 0.041 0.000 1.130 540 N CA 0.452 53.571 53.050 0.115 0.000 0.861 540 N CB 0.328 38.833 38.487 0.031 0.000 1.005 540 N HN 0.489 nan 8.380 nan 0.000 0.507 541 A N 1.454 124.231 122.820 -0.072 0.000 2.364 541 A HA -0.185 4.135 4.320 -0.000 0.000 0.288 541 A C 0.243 177.666 177.584 -0.269 0.000 1.433 541 A CA 1.490 53.364 52.037 -0.272 0.000 0.757 541 A CB -1.700 16.852 19.000 -0.747 0.000 1.098 541 A HN 0.316 nan 8.150 nan 0.000 0.380 542 T N -0.672 113.709 114.554 -0.289 0.000 3.003 542 T HA 0.496 4.846 4.350 -0.000 0.000 0.354 542 T C -3.292 171.214 174.700 -0.323 0.000 1.651 542 T CA -0.626 61.244 62.100 -0.384 0.000 1.103 542 T CB 1.253 69.622 68.868 -0.832 0.000 1.450 542 T HN 0.057 nan 8.240 nan 0.000 0.484 543 P HA 0.043 nan 4.420 nan 0.000 0.257 543 P C 1.245 178.390 177.300 -0.259 0.000 1.153 543 P CA 0.456 63.423 63.100 -0.221 0.000 0.762 543 P CB 0.114 31.715 31.700 -0.165 0.000 0.743 544 L N 2.600 123.670 121.223 -0.256 0.000 2.447 544 L HA -0.203 4.137 4.340 -0.000 0.000 0.225 544 L C 2.101 178.837 176.870 -0.223 0.000 1.148 544 L CA 1.795 56.468 54.840 -0.279 0.000 0.808 544 L CB -0.999 40.865 42.059 -0.324 0.000 0.928 544 L HN 0.412 nan 8.230 nan 0.000 0.448 545 S N -1.670 113.922 115.700 -0.181 0.000 2.561 545 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 545 S C 1.804 176.350 174.600 -0.090 0.000 0.977 545 S CA 0.887 59.013 58.200 -0.124 0.000 0.926 545 S CB -0.449 62.692 63.200 -0.099 0.000 0.769 545 S HN 0.590 nan 8.310 nan 0.000 0.533 546 T N -0.596 113.886 114.554 -0.120 0.000 3.015 546 T HA 0.388 4.738 4.350 -0.000 0.000 0.250 546 T C 0.620 175.337 174.700 0.029 0.000 1.057 546 T CA -0.435 61.637 62.100 -0.046 0.000 1.066 546 T CB -0.535 68.288 68.868 -0.074 0.000 0.959 546 T HN 0.302 nan 8.240 nan 0.000 0.488 547 L N 2.442 123.622 121.223 -0.071 0.000 2.467 547 L HA 0.306 4.645 4.340 -0.000 0.000 0.270 547 L C 0.893 177.849 176.870 0.142 0.000 1.205 547 L CA -0.535 54.346 54.840 0.068 0.000 0.828 547 L CB 0.469 42.501 42.059 -0.045 0.000 1.101 547 L HN 0.154 nan 8.230 nan 0.000 0.479 548 S N 1.020 116.880 115.700 0.266 0.000 2.531 548 S HA 0.075 4.545 4.470 -0.000 0.000 0.279 548 S C 0.797 175.545 174.600 0.246 0.000 1.305 548 S CA -0.696 57.648 58.200 0.239 0.000 1.058 548 S CB 0.597 63.989 63.200 0.321 0.000 0.899 548 S HN 0.496 nan 8.310 nan 0.000 0.493 549 L N 6.248 127.541 121.223 0.117 0.000 1.961 549 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 549 L C 2.374 179.290 176.870 0.077 0.000 1.072 549 L CA 2.041 56.945 54.840 0.106 0.000 0.749 549 L CB -0.743 41.306 42.059 -0.017 0.000 0.889 549 L HN 0.811 nan 8.230 nan 0.000 0.432 550 K N -2.016 118.298 120.400 -0.143 0.000 2.152 550 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 550 K C 1.587 177.915 176.600 -0.454 0.000 1.048 550 K CA 1.700 57.713 56.287 -0.457 0.000 0.933 550 K CB -0.050 32.014 32.500 -0.726 0.000 0.721 550 K HN 0.599 nan 8.250 nan 0.000 0.447 551 H N -1.863 117.267 119.070 0.100 0.000 3.241 551 H HA -0.027 4.529 4.556 -0.000 0.000 0.260 551 H C 1.497 176.850 175.328 0.043 0.000 1.084 551 H CA 0.343 56.425 56.048 0.057 0.000 1.203 551 H CB -0.157 29.651 29.762 0.078 0.000 1.524 551 H HN 0.416 nan 8.280 nan 0.000 0.521 552 W N 3.409 124.807 121.300 0.163 0.000 2.292 552 W HA -0.195 4.465 4.660 -0.000 0.000 0.304 552 W C 0.119 176.706 176.519 0.112 0.000 1.228 552 W CA 1.614 59.045 57.345 0.143 0.000 1.241 552 W CB -0.610 28.913 29.460 0.104 0.000 1.142 552 W HN 0.168 nan 8.180 nan 0.000 0.520 553 D N 1.194 120.986 120.400 -1.013 0.000 2.424 553 D HA -0.059 4.581 4.640 -0.000 0.000 0.220 553 D C 1.719 177.733 176.300 -0.476 0.000 1.150 553 D CA 0.460 53.797 54.000 -1.105 0.000 0.831 553 D CB -0.571 39.139 40.800 -1.817 0.000 0.981 553 D HN 0.339 nan 8.370 nan 0.000 0.500 554 Q N 1.408 121.064 119.800 -0.240 0.000 2.376 554 Q HA -0.202 4.138 4.340 -0.000 0.000 0.211 554 Q C 0.758 176.704 176.000 -0.091 0.000 0.986 554 Q CA 1.821 57.561 55.803 -0.105 0.000 0.886 554 Q CB -0.649 28.092 28.738 0.005 0.000 0.927 554 Q HN 0.385 nan 8.270 nan 0.000 0.457 555 D N -0.910 119.412 120.400 -0.130 0.000 2.342 555 D HA -0.022 4.618 4.640 -0.000 0.000 0.221 555 D C 0.210 176.477 176.300 -0.054 0.000 1.101 555 D CA -0.063 53.911 54.000 -0.043 0.000 0.837 555 D CB 0.017 40.719 40.800 -0.163 0.000 0.938 555 D HN 0.093 nan 8.370 nan 0.000 0.508 556 D N 1.812 122.119 120.400 -0.155 0.000 2.123 556 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 556 D C 1.170 177.336 176.300 -0.224 0.000 0.992 556 D CA 0.945 54.839 54.000 -0.176 0.000 0.833 556 D CB -0.022 40.661 40.800 -0.195 0.000 0.954 556 D HN 0.176 nan 8.370 nan 0.000 0.455 557 D N -0.587 119.586 120.400 -0.378 0.000 2.311 557 D HA -0.146 4.494 4.640 -0.000 0.000 0.212 557 D C 1.006 176.899 176.300 -0.677 0.000 0.972 557 D CA 0.531 54.174 54.000 -0.595 0.000 0.887 557 D CB -0.240 40.020 40.800 -0.900 0.000 0.915 557 D HN 0.329 nan 8.370 nan 0.000 0.497 558 F N 0.502 120.329 119.950 -0.205 0.000 2.639 558 F HA 0.185 4.712 4.527 -0.000 0.000 0.302 558 F C 1.014 176.666 175.800 -0.246 0.000 1.097 558 F CA -0.623 57.222 58.000 -0.257 0.000 1.294 558 F CB -0.173 38.460 39.000 -0.613 0.000 1.027 558 F HN -0.254 nan 8.300 nan 0.000 0.550 559 E N 1.100 121.248 120.200 -0.088 0.000 2.442 559 E HA -0.015 4.334 4.350 -0.000 0.000 0.262 559 E C -0.268 176.381 176.600 0.082 0.000 1.004 559 E CA -0.164 56.187 56.400 -0.083 0.000 0.928 559 E CB 0.554 30.254 29.700 -0.000 0.000 0.937 559 E HN -0.034 nan 8.360 nan 0.000 0.446 560 F N 1.103 121.110 119.950 0.095 0.000 2.368 560 F HA 0.226 4.753 4.527 -0.000 0.000 0.308 560 F C 1.125 177.011 175.800 0.144 0.000 1.198 560 F CA -0.613 57.435 58.000 0.079 0.000 1.130 560 F CB 0.707 39.705 39.000 -0.002 0.000 1.300 560 F HN 0.408 nan 8.300 nan 0.000 0.537 561 T N -1.717 113.068 114.554 0.386 0.000 2.924 561 T HA 0.786 5.136 4.350 -0.000 0.000 0.291 561 T C -0.271 174.576 174.700 0.246 0.000 1.045 561 T CA -0.250 62.026 62.100 0.295 0.000 1.015 561 T CB 1.530 70.576 68.868 0.298 0.000 1.103 561 T HN 1.461 nan 8.240 nan 0.000 0.496 562 G N 1.288 110.207 108.800 0.198 0.000 2.663 562 G HA2 0.236 4.196 3.960 -0.000 0.000 0.686 562 G HA3 0.236 4.196 3.960 -0.000 0.000 0.686 562 G C -0.314 174.713 174.900 0.211 0.000 1.288 562 G CA -0.492 44.709 45.100 0.169 0.000 0.836 562 G HN 1.748 nan 8.290 nan 0.000 0.584 563 S N -0.148 115.656 115.700 0.173 0.000 2.592 563 S HA 0.587 5.057 4.470 -0.000 0.000 0.271 563 S C 0.412 175.200 174.600 0.314 0.000 1.326 563 S CA -0.388 57.923 58.200 0.184 0.000 1.024 563 S CB 0.849 64.118 63.200 0.115 0.000 0.921 563 S HN 0.747 nan 8.310 nan 0.000 0.527 564 H N 0.056 119.210 119.070 0.141 0.000 2.679 564 H HA 0.474 5.030 4.556 -0.000 0.000 0.369 564 H C -0.776 174.632 175.328 0.133 0.000 1.178 564 H CA -0.578 55.566 56.048 0.160 0.000 1.419 564 H CB 0.430 30.315 29.762 0.204 0.000 1.458 564 H HN 0.294 nan 8.280 nan 0.000 0.605 565 L N 0.767 122.125 121.223 0.224 0.000 2.393 565 L HA 0.271 4.611 4.340 -0.000 0.000 0.260 565 L C 0.165 177.081 176.870 0.078 0.000 1.002 565 L CA -0.717 54.200 54.840 0.128 0.000 0.818 565 L CB 2.310 44.414 42.059 0.075 0.000 1.369 565 L HN 0.696 nan 8.230 nan 0.000 0.412 566 T N -1.421 113.156 114.554 0.039 0.000 2.943 566 T HA 0.712 5.061 4.350 -0.000 0.000 0.284 566 T C -0.442 174.227 174.700 -0.051 0.000 1.015 566 T CA -0.748 61.338 62.100 -0.023 0.000 1.042 566 T CB 1.512 70.334 68.868 -0.077 0.000 1.055 566 T HN 0.240 nan 8.240 nan 0.000 0.500 567 V N 3.968 123.830 119.914 -0.087 0.000 2.304 567 V HA 0.342 4.462 4.120 -0.000 0.000 0.262 567 V C 1.663 177.806 176.094 0.081 0.000 1.061 567 V CA -0.612 61.636 62.300 -0.088 0.000 0.872 567 V CB 0.183 31.827 31.823 -0.299 0.000 1.077 567 V HN 0.955 nan 8.190 nan 0.000 0.480 568 R N 3.876 124.431 120.500 0.093 0.000 2.092 568 R HA -0.086 4.254 4.340 -0.000 0.000 0.231 568 R C 1.802 178.237 176.300 0.225 0.000 1.119 568 R CA 1.605 57.820 56.100 0.193 0.000 0.970 568 R CB 0.098 30.474 30.300 0.128 0.000 0.864 568 R HN 0.877 nan 8.270 nan 0.000 0.440 569 N N -0.220 118.558 118.700 0.131 0.000 2.313 569 N HA 0.084 4.824 4.740 -0.000 0.000 0.207 569 N C -0.353 175.216 175.510 0.099 0.000 1.141 569 N CA 0.824 53.934 53.050 0.101 0.000 0.830 569 N CB 0.544 39.070 38.487 0.066 0.000 1.008 569 N HN 0.229 nan 8.380 nan 0.000 0.481 570 G N 0.296 109.182 108.800 0.143 0.000 3.190 570 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.686 570 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.686 570 G C -0.296 174.720 174.900 0.193 0.000 1.033 570 G CA -0.426 44.766 45.100 0.154 0.000 0.797 570 G HN 0.126 nan 8.290 nan 0.000 0.567 571 Y N 2.227 122.595 120.300 0.113 0.000 2.403 571 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 571 Y C 3.006 178.954 175.900 0.079 0.000 1.143 571 Y CA 2.184 60.341 58.100 0.096 0.000 1.257 571 Y CB -0.224 38.294 38.460 0.096 0.000 0.984 571 Y HN 1.021 nan 8.280 nan 0.000 0.550 572 S N -1.136 114.716 115.700 0.254 0.000 2.419 572 S HA -0.240 4.230 4.470 -0.000 0.000 0.233 572 S C 2.342 177.024 174.600 0.137 0.000 1.016 572 S CA 1.010 59.301 58.200 0.152 0.000 0.974 572 S CB -1.812 61.451 63.200 0.105 0.000 0.786 572 S HN 0.648 nan 8.310 nan 0.000 0.492 573 C N 0.717 120.105 119.300 0.147 0.000 2.398 573 C HA -0.024 4.436 4.460 -0.000 0.000 0.282 573 C C 2.255 177.317 174.990 0.120 0.000 1.275 573 C CA 0.441 59.525 59.018 0.111 0.000 1.797 573 C CB -1.868 25.930 27.740 0.097 0.000 1.991 573 C HN 0.436 nan 8.230 nan 0.000 0.505 574 V N 2.717 122.740 119.914 0.182 0.000 2.273 574 V HA -0.033 4.087 4.120 -0.000 0.000 0.242 574 V C 0.589 176.747 176.094 0.106 0.000 1.035 574 V CA 2.432 64.835 62.300 0.172 0.000 1.013 574 V CB -1.650 30.343 31.823 0.284 0.000 0.652 574 V HN 0.336 nan 8.190 nan 0.000 0.452 575 P HA -0.116 nan 4.420 nan 0.000 0.215 575 P C 1.940 179.259 177.300 0.032 0.000 1.153 575 P CA 1.471 64.594 63.100 0.038 0.000 0.853 575 P CB -0.147 31.564 31.700 0.018 0.000 0.788 576 V N 1.343 121.281 119.914 0.039 0.000 2.231 576 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 576 V C 2.853 178.960 176.094 0.022 0.000 1.054 576 V CA 2.731 65.047 62.300 0.025 0.000 1.015 576 V CB -1.841 29.999 31.823 0.029 0.000 0.638 576 V HN 0.128 nan 8.190 nan 0.000 0.444 577 A N -0.662 122.180 122.820 0.036 0.000 1.948 577 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 577 A C 2.214 179.811 177.584 0.021 0.000 1.177 577 A CA 2.109 54.164 52.037 0.030 0.000 0.636 577 A CB -0.585 18.443 19.000 0.046 0.000 0.815 577 A HN 0.540 nan 8.150 nan 0.000 0.449 578 L N -1.182 120.058 121.223 0.029 0.000 2.156 578 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 578 L C 3.046 179.911 176.870 -0.009 0.000 1.095 578 L CA 0.824 55.675 54.840 0.018 0.000 0.770 578 L CB -0.534 41.543 42.059 0.030 0.000 0.914 578 L HN 0.449 nan 8.230 nan 0.000 0.439 579 A N -0.491 122.322 122.820 -0.012 0.000 2.024 579 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 579 A C 1.312 178.876 177.584 -0.033 0.000 1.164 579 A CA 0.591 52.612 52.037 -0.027 0.000 0.643 579 A CB -0.514 18.472 19.000 -0.024 0.000 0.806 579 A HN 0.429 nan 8.150 nan 0.000 0.451 580 E N 0.035 120.219 120.200 -0.027 0.000 2.498 580 E HA 0.227 4.577 4.350 -0.000 0.000 0.252 580 E C 0.873 177.446 176.600 -0.045 0.000 1.025 580 E CA 0.706 57.087 56.400 -0.032 0.000 0.938 580 E CB -0.332 29.353 29.700 -0.025 0.000 0.947 580 E HN 0.822 nan 8.360 nan 0.000 0.478 581 G N 4.057 112.830 108.800 -0.045 0.000 2.131 581 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.223 581 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.223 581 G C -0.101 174.766 174.900 -0.055 0.000 0.990 581 G CA 0.103 45.173 45.100 -0.051 0.000 0.671 581 G HN 0.459 nan 8.290 nan 0.000 0.521 582 L N -0.208 120.982 121.223 -0.055 0.000 2.341 582 L HA 0.533 4.873 4.340 -0.000 0.000 0.267 582 L C -0.582 176.251 176.870 -0.061 0.000 1.009 582 L CA -1.003 53.799 54.840 -0.063 0.000 0.819 582 L CB 1.869 43.886 42.059 -0.069 0.000 1.323 582 L HN 0.069 nan 8.230 nan 0.000 0.425 583 D N 2.360 122.721 120.400 -0.066 0.000 2.402 583 D HA 0.380 5.020 4.640 -0.000 0.000 0.235 583 D C -0.708 175.538 176.300 -0.089 0.000 1.226 583 D CA 0.111 54.071 54.000 -0.067 0.000 0.918 583 D CB 0.082 40.849 40.800 -0.056 0.000 1.043 583 D HN 0.198 nan 8.370 nan 0.000 0.506 584 I N 4.002 124.519 120.570 -0.088 0.000 2.355 584 I HA 0.215 4.385 4.170 -0.000 0.000 0.288 584 I C 0.207 176.252 176.117 -0.121 0.000 0.999 584 I CA -0.850 60.383 61.300 -0.110 0.000 1.163 584 I CB 1.400 39.344 38.000 -0.093 0.000 1.316 584 I HN -0.086 nan 8.210 nan 0.000 0.454 585 K N 7.823 128.125 120.400 -0.164 0.000 2.250 585 K HA 0.452 4.772 4.320 -0.000 0.000 0.280 585 K C -0.281 176.203 176.600 -0.193 0.000 1.098 585 K CA -0.357 55.822 56.287 -0.181 0.000 0.916 585 K CB 0.896 33.253 32.500 -0.237 0.000 1.209 585 K HN 0.541 nan 8.250 nan 0.000 0.461 586 L N 1.573 122.704 121.223 -0.153 0.000 2.470 586 L HA 0.070 4.410 4.340 -0.000 0.000 0.243 586 L C 1.093 177.861 176.870 -0.169 0.000 1.227 586 L CA -0.383 54.366 54.840 -0.152 0.000 0.824 586 L CB 0.061 42.055 42.059 -0.108 0.000 1.175 586 L HN 0.695 nan 8.230 nan 0.000 0.503 587 N N -0.751 117.849 118.700 -0.167 0.000 2.678 587 N HA -0.162 4.578 4.740 -0.000 0.000 0.249 587 N C -0.545 174.862 175.510 -0.172 0.000 1.119 587 N CA 1.089 54.049 53.050 -0.150 0.000 0.718 587 N CB -1.467 36.974 38.487 -0.076 0.000 1.060 587 N HN 0.664 nan 8.380 nan 0.000 0.552 588 T N 0.076 114.486 114.554 -0.241 0.000 2.772 588 T HA 0.583 4.933 4.350 -0.000 0.000 0.288 588 T C 0.308 174.859 174.700 -0.249 0.000 0.994 588 T CA -0.551 61.405 62.100 -0.239 0.000 0.951 588 T CB 2.041 70.722 68.868 -0.310 0.000 0.933 588 T HN 0.295 nan 8.240 nan 0.000 0.447 589 A N 3.796 126.516 122.820 -0.167 0.000 2.322 589 A HA 0.604 4.924 4.320 -0.000 0.000 0.327 589 A C 0.383 177.925 177.584 -0.070 0.000 1.394 589 A CA -0.648 51.274 52.037 -0.192 0.000 0.921 589 A CB 0.067 19.009 19.000 -0.097 0.000 1.153 589 A HN 0.740 nan 8.150 nan 0.000 0.523 590 V N 4.116 123.970 119.914 -0.101 0.000 2.644 590 V HA -0.029 4.091 4.120 -0.000 0.000 0.305 590 V C 1.290 177.372 176.094 -0.020 0.000 1.053 590 V CA 0.714 62.980 62.300 -0.056 0.000 1.186 590 V CB 0.150 31.919 31.823 -0.091 0.000 0.895 590 V HN 0.980 nan 8.190 nan 0.000 0.490 591 R N 2.552 123.044 120.500 -0.013 0.000 2.342 591 R HA 0.256 4.596 4.340 -0.000 0.000 0.204 591 R C 0.459 176.716 176.300 -0.073 0.000 0.882 591 R CA 0.140 56.231 56.100 -0.013 0.000 1.041 591 R CB 0.797 31.110 30.300 0.021 0.000 1.188 591 R HN 0.794 nan 8.270 nan 0.000 0.598 592 Q N 0.434 120.182 119.800 -0.086 0.000 2.340 592 Q HA 0.387 4.727 4.340 -0.000 0.000 0.276 592 Q C -1.873 174.046 176.000 -0.136 0.000 1.048 592 Q CA -0.440 55.285 55.803 -0.130 0.000 0.832 592 Q CB 2.929 31.629 28.738 -0.064 0.000 1.373 592 Q HN -0.149 nan 8.270 nan 0.000 0.409 593 V N 3.831 123.618 119.914 -0.212 0.000 2.444 593 V HA 0.591 4.711 4.120 -0.000 0.000 0.294 593 V C -0.737 175.412 176.094 0.091 0.000 1.022 593 V CA -0.564 61.696 62.300 -0.068 0.000 0.850 593 V CB 1.792 33.545 31.823 -0.116 0.000 0.992 593 V HN 0.698 nan 8.190 nan 0.000 0.426 594 R N 4.497 125.062 120.500 0.108 0.000 2.439 594 R HA 0.638 4.978 4.340 -0.000 0.000 0.310 594 R C -1.702 174.659 176.300 0.102 0.000 0.955 594 R CA -0.642 55.472 56.100 0.024 0.000 0.853 594 R CB 2.125 32.419 30.300 -0.010 0.000 1.171 594 R HN 0.806 nan 8.270 nan 0.000 0.449 595 Y N -0.908 119.431 120.300 0.064 0.000 2.457 595 Y HA 0.735 5.285 4.550 -0.000 0.000 0.343 595 Y C -0.640 175.293 175.900 0.055 0.000 0.994 595 Y CA -1.034 57.103 58.100 0.063 0.000 1.031 595 Y CB 1.899 40.401 38.460 0.070 0.000 1.246 595 Y HN 0.569 nan 8.280 nan 0.000 0.449 596 T N -1.373 113.249 114.554 0.114 0.000 2.821 596 T HA 0.623 4.973 4.350 -0.000 0.000 0.306 596 T C 0.725 175.488 174.700 0.106 0.000 1.313 596 T CA -0.552 61.580 62.100 0.053 0.000 1.012 596 T CB 1.355 70.228 68.868 0.008 0.000 1.298 596 T HN 1.171 nan 8.240 nan 0.000 0.502 597 A N 1.077 123.947 122.820 0.083 0.000 2.042 597 A HA -0.069 4.251 4.320 -0.000 0.000 0.222 597 A C 2.085 179.724 177.584 0.092 0.000 1.167 597 A CA 2.396 54.485 52.037 0.087 0.000 0.649 597 A CB -1.262 17.775 19.000 0.061 0.000 0.809 597 A HN 1.222 nan 8.150 nan 0.000 0.457 598 S N -2.629 113.120 115.700 0.080 0.000 2.524 598 S HA 0.526 4.996 4.470 -0.000 0.000 0.215 598 S C 0.830 175.484 174.600 0.090 0.000 0.986 598 S CA 0.396 58.643 58.200 0.078 0.000 0.911 598 S CB 0.433 63.664 63.200 0.053 0.000 0.805 598 S HN 1.549 nan 8.310 nan 0.000 0.501 599 G N -0.192 108.670 108.800 0.102 0.000 2.351 599 G HA2 0.356 4.316 3.960 -0.000 0.000 0.279 599 G HA3 0.356 4.316 3.960 -0.000 0.000 0.279 599 G C -1.906 173.061 174.900 0.112 0.000 1.297 599 G CA -0.307 44.856 45.100 0.104 0.000 0.886 599 G HN 0.380 nan 8.290 nan 0.000 0.493 600 C N 0.603 119.960 119.300 0.096 0.000 2.686 600 C HA 0.798 5.258 4.460 -0.000 0.000 0.318 600 C C -0.501 174.539 174.990 0.083 0.000 1.160 600 C CA -0.742 58.343 59.018 0.112 0.000 1.396 600 C CB 1.131 28.946 27.740 0.125 0.000 1.924 600 C HN 0.901 nan 8.230 nan 0.000 0.471 601 E N 1.300 121.548 120.200 0.080 0.000 2.238 601 E HA 0.738 5.088 4.350 -0.000 0.000 0.267 601 E C -1.650 175.001 176.600 0.085 0.000 0.887 601 E CA -0.616 55.831 56.400 0.078 0.000 0.769 601 E CB 1.736 31.467 29.700 0.053 0.000 1.187 601 E HN 0.328 nan 8.360 nan 0.000 0.416 602 V N 3.824 123.809 119.914 0.119 0.000 2.384 602 V HA 0.344 4.464 4.120 -0.000 0.000 0.287 602 V C -0.157 176.037 176.094 0.167 0.000 1.020 602 V CA -0.694 61.670 62.300 0.106 0.000 0.850 602 V CB 0.931 32.797 31.823 0.071 0.000 0.987 602 V HN 0.630 nan 8.190 nan 0.000 0.436 603 I N 4.525 125.154 120.570 0.099 0.000 2.312 603 I HA 0.747 4.916 4.170 -0.000 0.000 0.290 603 I C 0.407 176.594 176.117 0.118 0.000 1.008 603 I CA -0.095 61.274 61.300 0.115 0.000 1.226 603 I CB 1.349 39.381 38.000 0.053 0.000 1.371 603 I HN 0.688 nan 8.210 nan 0.000 0.468 604 A N 6.095 129.041 122.820 0.210 0.000 2.384 604 A HA 0.920 5.240 4.320 -0.000 0.000 0.312 604 A C -0.509 177.242 177.584 0.280 0.000 1.113 604 A CA -0.608 51.536 52.037 0.180 0.000 0.779 604 A CB 1.935 21.013 19.000 0.130 0.000 1.307 604 A HN 0.596 nan 8.150 nan 0.000 0.436 605 V N -0.522 119.517 119.914 0.210 0.000 3.113 605 V HA 0.751 4.871 4.120 -0.000 0.000 0.316 605 V C -0.352 175.883 176.094 0.234 0.000 1.125 605 V CA -0.995 61.462 62.300 0.261 0.000 1.026 605 V CB 1.825 33.736 31.823 0.148 0.000 1.080 605 V HN 0.978 nan 8.190 nan 0.000 0.444 606 N N 1.089 119.959 118.700 0.282 0.000 2.419 606 N HA 0.280 5.020 4.740 -0.000 0.000 0.264 606 N C 1.141 176.719 175.510 0.113 0.000 1.031 606 N CA 0.383 53.547 53.050 0.189 0.000 0.951 606 N CB 1.592 40.248 38.487 0.281 0.000 1.101 606 N HN 0.972 nan 8.380 nan 0.000 0.488 607 T N 1.503 116.097 114.554 0.066 0.000 2.897 607 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 607 T C 1.444 176.201 174.700 0.095 0.000 1.084 607 T CA 1.125 63.283 62.100 0.096 0.000 1.123 607 T CB -0.136 68.788 68.868 0.093 0.000 0.865 607 T HN 0.527 nan 8.240 nan 0.000 0.496 608 R N 1.640 122.185 120.500 0.074 0.000 2.112 608 R HA 0.158 4.497 4.340 -0.000 0.000 0.216 608 R C 0.795 177.131 176.300 0.059 0.000 1.080 608 R CA 0.981 57.118 56.100 0.062 0.000 0.996 608 R CB 0.228 30.558 30.300 0.049 0.000 0.902 608 R HN 0.521 nan 8.270 nan 0.000 0.449 609 S N -0.149 115.591 115.700 0.068 0.000 2.664 609 S HA 0.083 4.553 4.470 -0.000 0.000 0.262 609 S C 0.308 174.947 174.600 0.066 0.000 1.229 609 S CA -0.828 57.405 58.200 0.056 0.000 1.151 609 S CB 1.426 64.651 63.200 0.042 0.000 1.054 609 S HN 0.190 nan 8.310 nan 0.000 0.483 610 T N -0.195 114.397 114.554 0.063 0.000 3.439 610 T HA 0.073 4.423 4.350 -0.000 0.000 0.251 610 T C 1.192 175.922 174.700 0.050 0.000 1.108 610 T CA 0.563 62.706 62.100 0.072 0.000 0.982 610 T CB -0.780 68.133 68.868 0.076 0.000 1.024 610 T HN 0.731 nan 8.240 nan 0.000 0.573 611 S N -0.692 115.026 115.700 0.030 0.000 2.524 611 S HA 0.174 4.644 4.470 -0.000 0.000 0.222 611 S C 0.909 175.494 174.600 -0.026 0.000 1.040 611 S CA -0.522 57.680 58.200 0.004 0.000 0.915 611 S CB -0.431 62.767 63.200 -0.004 0.000 0.831 611 S HN 0.612 nan 8.310 nan 0.000 0.492 612 Q N 2.649 122.435 119.800 -0.024 0.000 2.283 612 Q HA 0.158 4.498 4.340 -0.000 0.000 0.269 612 Q C -0.993 174.906 176.000 -0.168 0.000 1.187 612 Q CA 0.301 56.042 55.803 -0.104 0.000 0.922 612 Q CB -0.136 28.577 28.738 -0.041 0.000 1.323 612 Q HN 0.291 nan 8.270 nan 0.000 0.432 613 T N 4.259 118.643 114.554 -0.284 0.000 2.907 613 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 613 T C -0.753 173.628 174.700 -0.531 0.000 1.004 613 T CA -0.178 61.787 62.100 -0.225 0.000 1.063 613 T CB 0.442 69.239 68.868 -0.119 0.000 0.992 613 T HN 0.372 nan 8.240 nan 0.000 0.483 614 F N 1.527 121.465 119.950 -0.021 0.000 2.565 614 F HA 0.604 5.131 4.527 -0.000 0.000 0.313 614 F C -0.249 175.480 175.800 -0.117 0.000 1.091 614 F CA -1.222 56.720 58.000 -0.096 0.000 0.915 614 F CB 1.546 40.543 39.000 -0.005 0.000 1.208 614 F HN 0.184 nan 8.300 nan 0.000 0.453 615 I N 2.826 123.327 120.570 -0.115 0.000 2.498 615 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 615 I C -1.378 174.556 176.117 -0.305 0.000 1.032 615 I CA -0.944 60.299 61.300 -0.095 0.000 1.073 615 I CB 1.853 39.812 38.000 -0.068 0.000 1.251 615 I HN 0.555 nan 8.210 nan 0.000 0.426 616 Y N 4.737 125.061 120.300 0.040 0.000 2.331 616 Y HA 0.374 4.924 4.550 -0.000 0.000 0.334 616 Y C 0.180 176.084 175.900 0.007 0.000 0.960 616 Y CA -0.858 57.252 58.100 0.018 0.000 1.130 616 Y CB 1.745 40.205 38.460 -0.001 0.000 1.164 616 Y HN 0.281 nan 8.280 nan 0.000 0.458 617 K N 3.759 124.229 120.400 0.117 0.000 2.183 617 K HA 0.719 5.039 4.320 -0.000 0.000 0.274 617 K C -0.649 175.988 176.600 0.062 0.000 1.009 617 K CA -0.357 55.972 56.287 0.070 0.000 0.888 617 K CB 1.403 33.922 32.500 0.033 0.000 1.078 617 K HN 0.835 nan 8.250 nan 0.000 0.459 618 C N -0.881 118.443 119.300 0.041 0.000 3.285 618 C HA 0.356 4.816 4.460 -0.000 0.000 0.325 618 C C 1.044 176.020 174.990 -0.023 0.000 1.304 618 C CA -0.907 58.109 59.018 -0.003 0.000 1.319 618 C CB 1.163 28.892 27.740 -0.018 0.000 1.640 618 C HN 0.820 nan 8.230 nan 0.000 0.477 619 D N 1.192 121.532 120.400 -0.099 0.000 2.149 619 D HA 0.125 4.765 4.640 -0.000 0.000 0.198 619 D C 0.855 177.036 176.300 -0.199 0.000 0.990 619 D CA 2.497 56.395 54.000 -0.171 0.000 0.839 619 D CB 0.143 40.710 40.800 -0.388 0.000 0.948 619 D HN 1.084 nan 8.370 nan 0.000 0.460 620 A N -0.226 122.456 122.820 -0.229 0.000 2.574 620 A HA 0.521 4.841 4.320 -0.000 0.000 0.297 620 A C -1.206 176.369 177.584 -0.015 0.000 1.062 620 A CA -0.629 51.372 52.037 -0.060 0.000 0.686 620 A CB 1.924 20.794 19.000 -0.216 0.000 1.285 620 A HN -0.102 nan 8.150 nan 0.000 0.403 621 V N 1.779 121.747 119.914 0.089 0.000 2.448 621 V HA 0.516 4.636 4.120 -0.000 0.000 0.295 621 V C -0.752 175.359 176.094 0.028 0.000 1.025 621 V CA -0.469 61.843 62.300 0.020 0.000 0.859 621 V CB 1.349 33.178 31.823 0.009 0.000 0.988 621 V HN 0.805 nan 8.190 nan 0.000 0.431 622 L N 5.890 127.087 121.223 -0.044 0.000 2.264 622 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 622 L C -0.142 176.668 176.870 -0.099 0.000 1.039 622 L CA 0.056 54.858 54.840 -0.064 0.000 0.829 622 L CB 0.722 42.735 42.059 -0.077 0.000 1.211 622 L HN 0.852 nan 8.230 nan 0.000 0.427 623 C N 4.206 123.391 119.300 -0.191 0.000 2.322 623 C HA 0.462 4.922 4.460 -0.000 0.000 0.343 623 C C 1.576 176.597 174.990 0.051 0.000 1.190 623 C CA 0.208 59.163 59.018 -0.104 0.000 1.704 623 C CB -0.814 26.773 27.740 -0.255 0.000 2.293 623 C HN 0.963 nan 8.230 nan 0.000 0.523 624 T N 4.820 119.417 114.554 0.072 0.000 3.174 624 T HA 0.244 4.594 4.350 -0.000 0.000 0.269 624 T C 0.416 175.204 174.700 0.147 0.000 1.017 624 T CA -0.287 61.890 62.100 0.129 0.000 0.899 624 T CB -0.388 68.519 68.868 0.065 0.000 1.077 624 T HN 0.669 nan 8.240 nan 0.000 0.552 625 L N 2.256 123.559 121.223 0.133 0.000 2.615 625 L HA 0.165 4.505 4.340 -0.000 0.000 0.284 625 L C -2.004 174.849 176.870 -0.027 0.000 1.237 625 L CA -1.358 53.532 54.840 0.084 0.000 0.905 625 L CB -0.215 41.915 42.059 0.119 0.000 1.149 625 L HN 0.110 nan 8.230 nan 0.000 0.499 626 P HA -0.115 nan 4.420 nan 0.000 0.266 626 P C 0.465 177.317 177.300 -0.747 0.000 1.193 626 P CA -0.199 62.663 63.100 -0.396 0.000 0.770 626 P CB 0.556 32.141 31.700 -0.192 0.000 0.836 627 L N 3.607 124.075 121.223 -1.257 0.000 2.191 627 L HA -0.025 4.315 4.340 -0.000 0.000 0.212 627 L C 2.072 178.384 176.870 -0.930 0.000 1.103 627 L CA 2.294 56.486 54.840 -1.081 0.000 0.769 627 L CB -1.507 40.015 42.059 -0.895 0.000 0.908 627 L HN 0.488 nan 8.230 nan 0.000 0.438 628 G N -0.913 107.005 108.800 -1.470 0.000 2.418 628 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 628 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 628 G C 1.472 176.243 174.900 -0.215 0.000 1.158 628 G CA 1.093 45.859 45.100 -0.557 0.000 0.771 628 G HN 0.332 nan 8.290 nan 0.000 0.545 629 V N 1.024 120.807 119.914 -0.218 0.000 2.244 629 V HA -0.087 4.033 4.120 -0.000 0.000 0.244 629 V C 2.842 178.900 176.094 -0.060 0.000 1.042 629 V CA 1.404 63.663 62.300 -0.067 0.000 1.006 629 V CB -0.544 31.284 31.823 0.008 0.000 0.641 629 V HN 0.334 nan 8.190 nan 0.000 0.446 630 L N -0.501 120.655 121.223 -0.112 0.000 2.349 630 L HA -0.201 4.139 4.340 -0.000 0.000 0.220 630 L C 2.362 179.199 176.870 -0.054 0.000 1.130 630 L CA 1.455 56.273 54.840 -0.036 0.000 0.791 630 L CB -0.507 41.503 42.059 -0.082 0.000 0.918 630 L HN 0.320 nan 8.230 nan 0.000 0.444 631 K N -0.710 119.631 120.400 -0.098 0.000 2.323 631 K HA 0.048 4.368 4.320 -0.000 0.000 0.197 631 K C 0.485 177.068 176.600 -0.029 0.000 1.043 631 K CA -0.127 56.117 56.287 -0.073 0.000 0.997 631 K CB 0.291 32.738 32.500 -0.088 0.000 0.807 631 K HN 0.282 nan 8.250 nan 0.000 0.497 632 Q N 1.530 121.320 119.800 -0.017 0.000 2.320 632 Q HA -0.119 4.221 4.340 -0.000 0.000 0.311 632 Q C -0.628 175.374 176.000 0.002 0.000 1.083 632 Q CA 0.879 56.680 55.803 -0.003 0.000 1.001 632 Q CB 0.451 29.190 28.738 0.001 0.000 1.074 632 Q HN -0.033 nan 8.270 nan 0.000 0.379 633 Q N 3.782 123.581 119.800 -0.001 0.000 2.339 633 Q HA 0.370 4.709 4.340 -0.000 0.000 0.268 633 Q C -2.318 173.681 176.000 -0.002 0.000 1.027 633 Q CA -1.568 54.235 55.803 0.001 0.000 0.759 633 Q CB 1.300 30.038 28.738 -0.001 0.000 1.244 633 Q HN 0.372 nan 8.270 nan 0.000 0.464 634 P HA 0.495 nan 4.420 nan 0.000 0.286 634 P C -2.641 174.663 177.300 0.007 0.000 1.261 634 P CA -1.684 61.418 63.100 0.003 0.000 0.821 634 P CB 0.339 32.039 31.700 0.001 0.000 1.013 635 P HA -0.019 nan 4.420 nan 0.000 0.266 635 P C 0.173 177.485 177.300 0.021 0.000 1.180 635 P CA 0.340 63.457 63.100 0.028 0.000 0.765 635 P CB 0.303 32.025 31.700 0.037 0.000 0.806 636 A N 2.075 124.913 122.820 0.029 0.000 2.229 636 A HA 0.271 4.591 4.320 -0.000 0.000 0.211 636 A C 0.298 177.898 177.584 0.027 0.000 1.193 636 A CA 0.562 52.621 52.037 0.038 0.000 0.879 636 A CB 0.294 19.331 19.000 0.060 0.000 0.911 636 A HN 0.377 nan 8.150 nan 0.000 0.492 637 V N 0.721 120.634 119.914 -0.003 0.000 2.638 637 V HA 0.353 4.473 4.120 -0.000 0.000 0.306 637 V C -0.732 175.259 176.094 -0.173 0.000 1.052 637 V CA -0.664 61.566 62.300 -0.116 0.000 0.885 637 V CB 1.779 33.498 31.823 -0.173 0.000 0.999 637 V HN 0.460 nan 8.190 nan 0.000 0.424 638 Q N 2.727 122.384 119.800 -0.238 0.000 2.293 638 Q HA 0.562 4.902 4.340 -0.000 0.000 0.261 638 Q C -1.758 174.067 176.000 -0.292 0.000 0.960 638 Q CA -0.515 55.199 55.803 -0.148 0.000 0.882 638 Q CB 1.825 30.524 28.738 -0.065 0.000 1.275 638 Q HN 0.642 nan 8.270 nan 0.000 0.445 639 F N 2.144 122.136 119.950 0.070 0.000 2.415 639 F HA 0.332 4.859 4.527 -0.000 0.000 0.348 639 F C -0.050 175.782 175.800 0.054 0.000 1.119 639 F CA -0.638 57.438 58.000 0.127 0.000 1.069 639 F CB 1.397 40.510 39.000 0.190 0.000 1.124 639 F HN 0.140 nan 8.300 nan 0.000 0.472 640 V N 5.803 125.783 119.914 0.110 0.000 2.349 640 V HA 0.352 4.472 4.120 -0.000 0.000 0.284 640 V C -2.171 173.655 176.094 -0.448 0.000 1.014 640 V CA -1.875 60.372 62.300 -0.088 0.000 0.826 640 V CB 1.125 32.900 31.823 -0.080 0.000 1.009 640 V HN 0.490 nan 8.190 nan 0.000 0.431 641 P HA 0.375 nan 4.420 nan 0.000 0.277 641 P C -2.817 174.528 177.300 0.075 0.000 1.271 641 P CA -2.146 60.871 63.100 -0.138 0.000 0.795 641 P CB -0.197 31.435 31.700 -0.114 0.000 1.101 642 P HA 0.074 nan 4.420 nan 0.000 0.266 642 P C -0.065 177.285 177.300 0.083 0.000 1.195 642 P CA 0.265 63.434 63.100 0.114 0.000 0.768 642 P CB 0.105 31.831 31.700 0.044 0.000 0.838 643 L N 4.144 125.365 121.223 -0.005 0.000 2.499 643 L HA 0.109 4.449 4.340 -0.000 0.000 0.281 643 L C -1.534 175.176 176.870 -0.267 0.000 1.234 643 L CA -1.416 53.292 54.840 -0.219 0.000 0.839 643 L CB -0.655 41.145 42.059 -0.431 0.000 1.104 643 L HN 0.295 nan 8.230 nan 0.000 0.500 644 P HA 0.092 nan 4.420 nan 0.000 0.276 644 P C 0.228 177.256 177.300 -0.452 0.000 1.244 644 P CA -0.428 62.428 63.100 -0.408 0.000 0.801 644 P CB 0.962 32.352 31.700 -0.517 0.000 1.006 645 E N 1.553 121.628 120.200 -0.208 0.000 2.108 645 E HA -0.223 4.127 4.350 -0.000 0.000 0.203 645 E C 1.720 178.257 176.600 -0.105 0.000 1.022 645 E CA 2.356 58.687 56.400 -0.115 0.000 0.823 645 E CB -0.517 29.179 29.700 -0.007 0.000 0.744 645 E HN 0.659 nan 8.360 nan 0.000 0.456 646 W N 0.704 121.966 121.300 -0.064 0.000 2.350 646 W HA -0.198 4.462 4.660 -0.000 0.000 0.289 646 W C 1.787 178.236 176.519 -0.116 0.000 1.215 646 W CA 1.236 58.533 57.345 -0.079 0.000 1.236 646 W CB -0.626 28.792 29.460 -0.071 0.000 1.130 646 W HN 0.002 nan 8.180 nan 0.000 0.541 647 K N 1.972 121.880 120.400 -0.819 0.000 2.076 647 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 647 K C 2.396 178.756 176.600 -0.399 0.000 1.051 647 K CA 2.811 58.651 56.287 -0.745 0.000 0.949 647 K CB -0.856 30.910 32.500 -1.223 0.000 0.726 647 K HN 0.145 nan 8.250 nan 0.000 0.443 648 T N -2.276 112.070 114.554 -0.348 0.000 3.023 648 T HA 0.033 4.383 4.350 -0.000 0.000 0.266 648 T C 1.792 176.406 174.700 -0.143 0.000 1.093 648 T CA 1.172 63.136 62.100 -0.227 0.000 1.129 648 T CB -0.215 68.546 68.868 -0.180 0.000 0.899 648 T HN 0.081 nan 8.240 nan 0.000 0.491 649 S N 1.921 117.557 115.700 -0.105 0.000 2.377 649 S HA 0.248 4.718 4.470 -0.000 0.000 0.223 649 S C 2.646 177.211 174.600 -0.059 0.000 1.030 649 S CA 0.676 58.842 58.200 -0.057 0.000 0.970 649 S CB -0.779 62.412 63.200 -0.016 0.000 0.830 649 S HN 0.739 nan 8.310 nan 0.000 0.473 650 A N 1.684 124.469 122.820 -0.059 0.000 1.892 650 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 650 A C 2.349 179.860 177.584 -0.121 0.000 1.188 650 A CA 1.735 53.728 52.037 -0.074 0.000 0.631 650 A CB -1.149 17.814 19.000 -0.062 0.000 0.822 650 A HN 0.324 nan 8.150 nan 0.000 0.447 651 V N -0.380 119.443 119.914 -0.151 0.000 2.287 651 V HA -0.366 3.754 4.120 -0.000 0.000 0.248 651 V C 2.706 178.727 176.094 -0.122 0.000 1.053 651 V CA 2.513 64.719 62.300 -0.157 0.000 1.027 651 V CB -0.879 30.839 31.823 -0.174 0.000 0.646 651 V HN 0.676 nan 8.190 nan 0.000 0.447 652 Q N -0.693 119.051 119.800 -0.094 0.000 1.993 652 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 652 Q C 2.564 178.526 176.000 -0.063 0.000 0.984 652 Q CA 1.889 57.652 55.803 -0.067 0.000 0.837 652 Q CB -0.212 28.497 28.738 -0.048 0.000 0.902 652 Q HN 0.519 nan 8.270 nan 0.000 0.423 653 R N -0.173 120.292 120.500 -0.058 0.000 2.096 653 R HA -0.123 4.217 4.340 -0.000 0.000 0.240 653 R C 0.936 177.190 176.300 -0.077 0.000 1.139 653 R CA 0.760 56.831 56.100 -0.047 0.000 0.952 653 R CB -0.380 29.899 30.300 -0.035 0.000 0.854 653 R HN 0.330 nan 8.270 nan 0.000 0.436 654 M N 0.383 119.909 119.600 -0.124 0.000 2.252 654 M HA -0.004 4.476 4.480 -0.000 0.000 0.321 654 M C 0.762 176.898 176.300 -0.274 0.000 1.070 654 M CA 0.516 55.700 55.300 -0.193 0.000 1.143 654 M CB 0.403 32.855 32.600 -0.247 0.000 1.498 654 M HN 0.156 nan 8.290 nan 0.000 0.445 655 G N 1.479 109.958 108.800 -0.535 0.000 2.371 655 G HA2 0.592 4.552 3.960 -0.000 0.000 0.326 655 G HA3 0.592 4.552 3.960 -0.000 0.000 0.326 655 G C -1.817 172.711 174.900 -0.620 0.000 1.127 655 G CA -0.329 44.140 45.100 -1.051 0.000 0.885 655 G HN 0.567 nan 8.290 nan 0.000 0.477 656 F N 2.391 122.108 119.950 -0.389 0.000 2.610 656 F HA 0.622 5.149 4.527 -0.000 0.000 0.355 656 F C 0.524 176.369 175.800 0.076 0.000 1.140 656 F CA -0.958 56.967 58.000 -0.125 0.000 1.037 656 F CB 1.244 40.178 39.000 -0.109 0.000 1.287 656 F HN 0.675 nan 8.300 nan 0.000 0.457 657 G N 3.185 111.902 108.800 -0.137 0.000 2.574 657 G HA2 0.346 4.306 3.960 -0.000 0.000 0.248 657 G HA3 0.346 4.306 3.960 -0.000 0.000 0.248 657 G C -1.314 173.308 174.900 -0.463 0.000 1.422 657 G CA -0.531 44.498 45.100 -0.118 0.000 1.051 657 G HN 0.593 nan 8.290 nan 0.000 0.560 658 N N -1.916 116.566 118.700 -0.363 0.000 2.431 658 N HA 0.509 5.249 4.740 -0.000 0.000 0.275 658 N C -1.433 173.934 175.510 -0.239 0.000 1.091 658 N CA -0.657 52.217 53.050 -0.295 0.000 0.922 658 N CB 1.813 40.217 38.487 -0.137 0.000 1.666 658 N HN 0.807 nan 8.380 nan 0.000 0.484 659 L N 1.279 122.394 121.223 -0.180 0.000 2.518 659 L HA 0.767 5.107 4.340 -0.000 0.000 0.257 659 L C -1.627 175.298 176.870 0.091 0.000 0.980 659 L CA -0.559 54.261 54.840 -0.034 0.000 0.837 659 L CB 2.136 44.202 42.059 0.011 0.000 1.410 659 L HN 0.462 nan 8.230 nan 0.000 0.410 660 N N 1.503 120.275 118.700 0.120 0.000 2.469 660 N HA 0.603 5.343 4.740 -0.000 0.000 0.286 660 N C -1.549 174.020 175.510 0.098 0.000 1.275 660 N CA -0.737 52.411 53.050 0.164 0.000 0.790 660 N CB 2.430 40.978 38.487 0.101 0.000 1.446 660 N HN 0.622 nan 8.380 nan 0.000 0.501 661 K N 0.513 120.958 120.400 0.074 0.000 2.427 661 K HA 0.515 4.835 4.320 -0.000 0.000 0.252 661 K C -1.282 175.272 176.600 -0.077 0.000 0.931 661 K CA -0.679 55.600 56.287 -0.012 0.000 0.793 661 K CB 2.524 35.030 32.500 0.010 0.000 1.211 661 K HN 0.149 nan 8.250 nan 0.000 0.426 662 V N 3.190 123.024 119.914 -0.133 0.000 2.347 662 V HA 0.266 4.386 4.120 -0.000 0.000 0.280 662 V C -0.311 175.666 176.094 -0.196 0.000 1.021 662 V CA -0.936 61.267 62.300 -0.162 0.000 0.847 662 V CB 1.485 33.217 31.823 -0.152 0.000 0.990 662 V HN 0.453 nan 8.190 nan 0.000 0.444 663 V N 7.005 126.772 119.914 -0.244 0.000 2.383 663 V HA 0.442 4.562 4.120 -0.000 0.000 0.275 663 V C -0.121 175.766 176.094 -0.345 0.000 1.036 663 V CA -0.360 61.767 62.300 -0.287 0.000 0.889 663 V CB 1.438 33.031 31.823 -0.385 0.000 0.985 663 V HN 0.644 nan 8.190 nan 0.000 0.459 664 L N 5.027 126.053 121.223 -0.328 0.000 2.305 664 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 664 L C -0.613 175.828 176.870 -0.716 0.000 1.013 664 L CA -0.172 54.359 54.840 -0.515 0.000 0.819 664 L CB 1.535 43.365 42.059 -0.381 0.000 1.227 664 L HN 0.581 nan 8.230 nan 0.000 0.417 665 C N 3.635 122.430 119.300 -0.841 0.000 2.281 665 C HA 0.679 5.139 4.460 -0.000 0.000 0.325 665 C C -0.047 174.544 174.990 -0.666 0.000 1.282 665 C CA -0.717 57.813 59.018 -0.812 0.000 1.640 665 C CB -0.360 26.622 27.740 -1.264 0.000 2.288 665 C HN 0.486 nan 8.230 nan 0.000 0.507 666 F N 1.513 121.556 119.950 0.155 0.000 2.639 666 F HA 0.408 4.935 4.527 0.000 0.000 0.339 666 F C 1.342 177.322 175.800 0.301 0.000 1.071 666 F CA -1.010 57.138 58.000 0.247 0.000 0.994 666 F CB 0.808 40.022 39.000 0.357 0.000 1.341 666 F HN 0.516 nan 8.300 nan 0.000 0.498 667 D N -0.432 120.237 120.400 0.448 0.000 2.349 667 D HA 0.035 4.674 4.640 -0.000 0.000 0.215 667 D C -0.080 176.342 176.300 0.204 0.000 1.016 667 D CA 0.273 54.446 54.000 0.288 0.000 0.870 667 D CB 0.045 40.970 40.800 0.207 0.000 0.917 667 D HN 0.592 nan 8.370 nan 0.000 0.524 668 R N -0.554 120.074 120.500 0.214 0.000 2.594 668 R HA 0.477 4.817 4.340 -0.000 0.000 0.265 668 R C -1.261 174.902 176.300 -0.229 0.000 1.070 668 R CA -0.945 55.169 56.100 0.024 0.000 0.909 668 R CB 1.069 31.378 30.300 0.015 0.000 1.243 668 R HN -0.203 nan 8.270 nan 0.000 0.455 669 V N 3.347 122.955 119.914 -0.510 0.000 2.540 669 V HA 0.054 4.174 4.120 -0.000 0.000 0.297 669 V C 0.348 175.889 176.094 -0.920 0.000 1.024 669 V CA 0.313 61.851 62.300 -1.271 0.000 1.105 669 V CB -0.500 30.775 31.823 -0.914 0.000 0.938 669 V HN 0.812 nan 8.190 nan 0.000 0.482 670 F N 2.592 121.880 119.950 -1.104 0.000 2.859 670 F HA 0.523 5.050 4.527 -0.000 0.000 0.324 670 F C -0.332 175.177 175.800 -0.484 0.000 1.158 670 F CA -1.569 56.110 58.000 -0.535 0.000 1.147 670 F CB -0.618 38.163 39.000 -0.365 0.000 1.137 670 F HN 0.474 nan 8.300 nan 0.000 0.516 671 W N -0.444 120.535 121.300 -0.535 0.000 3.021 671 W HA 0.637 5.297 4.660 -0.000 0.000 0.337 671 W C -0.761 175.712 176.519 -0.076 0.000 1.171 671 W CA -1.540 55.487 57.345 -0.529 0.000 1.060 671 W CB -0.028 28.941 29.460 -0.819 0.000 1.472 671 W HN -0.143 nan 8.180 nan 0.000 0.594 672 D N 1.565 122.172 120.400 0.345 0.000 2.344 672 D HA 0.202 4.842 4.640 -0.000 0.000 0.253 672 D C -1.403 175.030 176.300 0.222 0.000 1.255 672 D CA -2.199 51.931 54.000 0.217 0.000 0.894 672 D CB 1.238 42.173 40.800 0.226 0.000 1.067 672 D HN -0.016 nan 8.370 nan 0.000 0.492 673 P HA -0.177 nan 4.420 nan 0.000 0.216 673 P C 1.116 178.501 177.300 0.141 0.000 1.154 673 P CA 1.352 64.496 63.100 0.074 0.000 0.865 673 P CB 0.102 31.793 31.700 -0.014 0.000 0.789 674 S N -2.301 113.468 115.700 0.115 0.000 2.603 674 S HA 0.074 4.544 4.470 -0.000 0.000 0.220 674 S C 0.586 175.261 174.600 0.125 0.000 0.967 674 S CA -0.121 58.141 58.200 0.104 0.000 0.920 674 S CB -0.696 62.548 63.200 0.073 0.000 0.773 674 S HN -0.138 nan 8.310 nan 0.000 0.529 675 V N 2.405 122.426 119.914 0.177 0.000 2.417 675 V HA 0.361 4.481 4.120 -0.000 0.000 0.291 675 V C 0.176 176.398 176.094 0.213 0.000 1.024 675 V CA -0.777 61.633 62.300 0.184 0.000 0.861 675 V CB 1.473 33.417 31.823 0.203 0.000 0.985 675 V HN 0.365 nan 8.190 nan 0.000 0.436 676 N N 3.730 122.511 118.700 0.136 0.000 2.409 676 N HA 0.252 4.992 4.740 -0.000 0.000 0.174 676 N C -0.218 175.292 175.510 0.000 0.000 1.037 676 N CA 0.393 53.499 53.050 0.095 0.000 0.898 676 N CB 0.286 38.814 38.487 0.068 0.000 1.010 676 N HN 0.644 nan 8.380 nan 0.000 0.445 677 L N -1.479 119.724 121.223 -0.034 0.000 2.455 677 L HA 0.680 5.020 4.340 -0.000 0.000 0.264 677 L C -1.516 175.359 176.870 0.009 0.000 0.968 677 L CA -1.412 53.290 54.840 -0.231 0.000 0.827 677 L CB 1.385 43.113 42.059 -0.553 0.000 1.317 677 L HN -0.121 nan 8.230 nan 0.000 0.407 678 F N -0.660 119.267 119.950 -0.038 0.000 2.608 678 F HA 0.921 5.448 4.527 0.000 0.000 0.309 678 F C 0.000 175.883 175.800 0.139 0.000 1.103 678 F CA -0.806 57.236 58.000 0.069 0.000 0.954 678 F CB 1.510 40.608 39.000 0.163 0.000 1.267 678 F HN 0.678 nan 8.300 nan 0.000 0.444 679 G N 1.385 110.406 108.800 0.368 0.000 2.425 679 G HA2 0.414 4.374 3.960 -0.000 0.000 0.302 679 G HA3 0.414 4.374 3.960 -0.000 0.000 0.302 679 G C -1.820 173.382 174.900 0.503 0.000 1.159 679 G CA -0.543 44.790 45.100 0.388 0.000 0.865 679 G HN 1.079 nan 8.290 nan 0.000 0.515 680 H N 0.460 119.818 119.070 0.480 0.000 2.529 680 H HA 0.469 5.025 4.556 -0.000 0.000 0.348 680 H C -1.517 174.068 175.328 0.428 0.000 1.079 680 H CA -0.589 55.693 56.048 0.390 0.000 1.198 680 H CB 2.030 32.031 29.762 0.398 0.000 1.521 680 H HN 0.201 nan 8.280 nan 0.000 0.514 681 V N 5.840 125.542 119.914 -0.354 0.000 2.293 681 V HA 0.326 4.446 4.120 -0.000 0.000 0.275 681 V C 1.129 176.959 176.094 -0.440 0.000 1.021 681 V CA -0.263 61.901 62.300 -0.225 0.000 0.815 681 V CB 0.715 32.485 31.823 -0.088 0.000 1.025 681 V HN 0.921 nan 8.190 nan 0.000 0.448 682 G N 2.898 111.482 108.800 -0.360 0.000 2.494 682 G HA2 0.334 4.294 3.960 -0.000 0.000 0.270 682 G HA3 0.334 4.294 3.960 -0.000 0.000 0.270 682 G C 1.015 175.927 174.900 0.021 0.000 1.423 682 G CA 0.369 45.427 45.100 -0.071 0.000 1.055 682 G HN 0.803 nan 8.290 nan 0.000 0.536 683 S N -2.146 113.598 115.700 0.073 0.000 2.524 683 S HA 0.254 4.724 4.470 -0.000 0.000 0.215 683 S C 0.635 175.268 174.600 0.055 0.000 0.986 683 S CA 0.790 59.024 58.200 0.057 0.000 0.911 683 S CB -0.054 63.185 63.200 0.065 0.000 0.805 683 S HN 0.956 nan 8.310 nan 0.000 0.501 684 T N -2.248 112.344 114.554 0.065 0.000 2.923 684 T HA 0.445 4.795 4.350 -0.000 0.000 0.311 684 T C 0.561 175.297 174.700 0.059 0.000 1.183 684 T CA -0.471 61.663 62.100 0.056 0.000 1.020 684 T CB 1.228 70.126 68.868 0.050 0.000 1.165 684 T HN -0.134 nan 8.240 nan 0.000 0.482 685 T N 1.686 116.273 114.554 0.056 0.000 2.665 685 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 685 T C 2.379 177.097 174.700 0.030 0.000 1.035 685 T CA 2.041 64.174 62.100 0.054 0.000 1.151 685 T CB -0.787 68.112 68.868 0.050 0.000 0.862 685 T HN 0.878 nan 8.240 nan 0.000 0.438 686 A N 1.244 124.079 122.820 0.025 0.000 2.084 686 A HA -0.073 4.247 4.320 -0.000 0.000 0.221 686 A C 2.096 179.687 177.584 0.011 0.000 1.161 686 A CA 1.913 53.957 52.037 0.011 0.000 0.653 686 A CB -0.431 18.578 19.000 0.014 0.000 0.802 686 A HN 0.604 nan 8.150 nan 0.000 0.457 687 S N -1.186 114.533 115.700 0.031 0.000 2.843 687 S HA 0.191 4.661 4.470 -0.000 0.000 0.249 687 S C 1.136 175.769 174.600 0.054 0.000 1.047 687 S CA 0.041 58.265 58.200 0.041 0.000 1.042 687 S CB -0.117 63.123 63.200 0.067 0.000 0.936 687 S HN 0.714 nan 8.310 nan 0.000 0.531 688 R N 0.774 121.286 120.500 0.019 0.000 2.159 688 R HA 0.012 4.352 4.340 -0.000 0.000 0.237 688 R C 1.932 178.185 176.300 -0.079 0.000 1.131 688 R CA 1.650 57.755 56.100 0.007 0.000 0.982 688 R CB -1.181 29.110 30.300 -0.015 0.000 0.868 688 R HN 0.409 nan 8.270 nan 0.000 0.453 689 G N 1.349 110.064 108.800 -0.142 0.000 2.448 689 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.218 689 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.218 689 G C 0.354 175.254 174.900 0.000 0.000 1.135 689 G CA -0.108 44.849 45.100 -0.239 0.000 0.784 689 G HN 0.479 nan 8.290 nan 0.000 0.543 690 E N 0.624 120.871 120.200 0.078 0.000 2.406 690 E HA 0.205 4.555 4.350 -0.000 0.000 0.258 690 E C 0.601 177.327 176.600 0.209 0.000 1.043 690 E CA -0.377 56.095 56.400 0.120 0.000 0.929 690 E CB -0.182 29.580 29.700 0.104 0.000 0.969 690 E HN 0.243 nan 8.360 nan 0.000 0.462 691 L N 4.724 126.034 121.223 0.145 0.000 3.851 691 L HA -0.300 4.040 4.340 -0.000 0.000 0.438 691 L C 0.816 177.852 176.870 0.277 0.000 1.171 691 L CA 0.165 55.048 54.840 0.073 0.000 0.895 691 L CB -1.863 40.207 42.059 0.019 0.000 1.800 691 L HN 0.662 nan 8.230 nan 0.000 0.960 692 F N -0.493 119.531 119.950 0.123 0.000 2.661 692 F HA 0.399 4.926 4.527 -0.000 0.000 0.298 692 F C 0.456 176.433 175.800 0.294 0.000 1.137 692 F CA 0.164 58.312 58.000 0.247 0.000 1.454 692 F CB 0.129 39.109 39.000 -0.033 0.000 1.103 692 F HN 0.074 nan 8.300 nan 0.000 0.577 693 L N 0.263 121.111 121.223 -0.626 0.000 2.482 693 L HA 0.606 4.946 4.340 -0.000 0.000 0.263 693 L C -2.062 174.527 176.870 -0.469 0.000 0.957 693 L CA -1.396 53.051 54.840 -0.654 0.000 0.836 693 L CB 1.558 42.772 42.059 -1.408 0.000 1.324 693 L HN -0.061 nan 8.230 nan 0.000 0.406 694 F N 2.886 122.432 119.950 -0.672 0.000 2.508 694 F HA 0.690 5.217 4.527 0.000 0.000 0.325 694 F C -1.023 174.381 175.800 -0.661 0.000 1.090 694 F CA -0.248 57.337 58.000 -0.691 0.000 0.945 694 F CB 1.859 40.099 39.000 -1.268 0.000 1.156 694 F HN 0.384 nan 8.300 nan 0.000 0.463 695 W N 2.052 123.155 121.300 -0.328 0.000 2.702 695 W HA 0.437 5.097 4.660 0.000 0.000 0.331 695 W C -0.560 175.839 176.519 -0.201 0.000 1.049 695 W CA -0.818 56.388 57.345 -0.230 0.000 1.230 695 W CB 1.368 30.716 29.460 -0.186 0.000 1.408 695 W HN 0.314 nan 8.180 nan 0.000 0.492 696 N N 3.565 122.308 118.700 0.073 0.000 2.569 696 N HA 0.391 5.131 4.740 -0.000 0.000 0.254 696 N C -0.782 174.786 175.510 0.098 0.000 1.004 696 N CA -0.257 52.832 53.050 0.065 0.000 0.904 696 N CB 0.708 39.252 38.487 0.096 0.000 1.165 696 N HN 0.561 nan 8.380 nan 0.000 0.513 697 L N 1.679 122.891 121.223 -0.019 0.000 2.854 697 L HA 0.377 4.717 4.340 -0.000 0.000 0.249 697 L C -0.205 176.525 176.870 -0.234 0.000 1.091 697 L CA -0.141 54.566 54.840 -0.222 0.000 0.935 697 L CB 0.063 41.788 42.059 -0.556 0.000 1.367 697 L HN 0.337 nan 8.230 nan 0.000 0.524 698 Y N 0.423 120.826 120.300 0.172 0.000 2.432 698 Y HA 0.223 4.773 4.550 -0.000 0.000 0.322 698 Y C 1.313 177.312 175.900 0.164 0.000 1.246 698 Y CA -0.812 57.382 58.100 0.157 0.000 1.268 698 Y CB 0.976 39.532 38.460 0.161 0.000 1.276 698 Y HN -0.191 nan 8.280 nan 0.000 0.499 699 K N 1.418 122.005 120.400 0.313 0.000 1.985 699 K HA -0.023 4.297 4.320 -0.000 0.000 0.210 699 K C 0.872 177.593 176.600 0.200 0.000 1.047 699 K CA 1.116 57.523 56.287 0.200 0.000 0.932 699 K CB -0.440 32.146 32.500 0.143 0.000 0.716 699 K HN 0.641 nan 8.250 nan 0.000 0.439 700 A N 2.536 125.481 122.820 0.208 0.000 2.455 700 A HA 0.107 4.427 4.320 -0.000 0.000 0.244 700 A C -2.109 175.685 177.584 0.350 0.000 1.099 700 A CA -0.889 51.274 52.037 0.210 0.000 0.786 700 A CB -0.494 18.596 19.000 0.149 0.000 1.051 700 A HN 0.137 nan 8.150 nan 0.000 0.508 701 P HA 0.343 nan 4.420 nan 0.000 0.260 701 P C -1.087 176.605 177.300 0.653 0.000 1.651 701 P CA 0.560 64.000 63.100 0.567 0.000 1.139 701 P CB -0.310 31.650 31.700 0.433 0.000 1.756 702 I N 3.338 124.225 120.570 0.528 0.000 2.433 702 I HA 0.363 4.533 4.170 -0.000 0.000 0.292 702 I C 0.165 176.328 176.117 0.076 0.000 1.001 702 I CA -0.882 60.576 61.300 0.264 0.000 1.119 702 I CB 2.245 40.396 38.000 0.252 0.000 1.289 702 I HN 0.001 nan 8.210 nan 0.000 0.438 703 L N 6.689 127.842 121.223 -0.117 0.000 2.341 703 L HA 0.605 4.945 4.340 -0.000 0.000 0.278 703 L C -0.931 175.890 176.870 -0.083 0.000 1.005 703 L CA -0.695 54.022 54.840 -0.205 0.000 0.818 703 L CB 2.146 44.012 42.059 -0.322 0.000 1.259 703 L HN 0.469 nan 8.230 nan 0.000 0.418 704 L N 3.340 124.530 121.223 -0.056 0.000 2.362 704 L HA 0.853 5.193 4.340 -0.000 0.000 0.275 704 L C -0.702 176.033 176.870 -0.224 0.000 0.998 704 L CA -0.236 54.545 54.840 -0.098 0.000 0.820 704 L CB 1.732 43.778 42.059 -0.021 0.000 1.270 704 L HN 0.707 nan 8.230 nan 0.000 0.415 705 A N 4.951 127.549 122.820 -0.370 0.000 2.356 705 A HA 0.674 4.993 4.320 -0.000 0.000 0.310 705 A C -1.250 176.123 177.584 -0.352 0.000 1.075 705 A CA -0.596 51.046 52.037 -0.658 0.000 0.746 705 A CB 1.282 19.578 19.000 -1.174 0.000 1.221 705 A HN 0.539 nan 8.150 nan 0.000 0.443 706 L N 1.755 122.815 121.223 -0.272 0.000 2.439 706 L HA 0.401 4.741 4.340 -0.000 0.000 0.269 706 L C -0.011 176.880 176.870 0.036 0.000 1.179 706 L CA 0.296 55.099 54.840 -0.061 0.000 0.828 706 L CB 1.393 43.460 42.059 0.013 0.000 1.106 706 L HN 0.417 nan 8.230 nan 0.000 0.467 707 V N 3.310 123.265 119.914 0.068 0.000 2.376 707 V HA 0.828 4.948 4.120 -0.000 0.000 0.287 707 V C 0.124 176.262 176.094 0.073 0.000 1.015 707 V CA -0.473 61.870 62.300 0.072 0.000 0.834 707 V CB 1.001 32.839 31.823 0.024 0.000 1.001 707 V HN 0.948 nan 8.190 nan 0.000 0.428 708 A N 3.547 126.386 122.820 0.031 0.000 2.443 708 A HA 1.046 5.366 4.320 -0.000 0.000 0.278 708 A C 0.694 178.209 177.584 -0.115 0.000 1.252 708 A CA -0.036 51.981 52.037 -0.032 0.000 0.816 708 A CB 0.990 19.946 19.000 -0.073 0.000 1.369 708 A HN 2.000 nan 8.150 nan 0.000 0.446 709 G N -0.408 108.305 108.800 -0.144 0.000 2.581 709 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.291 709 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.291 709 G C 0.582 175.415 174.900 -0.113 0.000 1.277 709 G CA 0.593 45.600 45.100 -0.155 0.000 0.959 709 G HN 0.805 nan 8.290 nan 0.000 0.554 710 E N 0.100 120.239 120.200 -0.101 0.000 2.209 710 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 710 E C 2.944 179.515 176.600 -0.049 0.000 0.993 710 E CA 1.741 58.099 56.400 -0.070 0.000 0.819 710 E CB -0.654 29.010 29.700 -0.060 0.000 0.745 710 E HN 0.865 nan 8.360 nan 0.000 0.477 711 A N 1.570 124.361 122.820 -0.048 0.000 1.933 711 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 711 A C 2.444 180.016 177.584 -0.020 0.000 1.175 711 A CA 1.870 53.892 52.037 -0.024 0.000 0.628 711 A CB -0.485 18.507 19.000 -0.013 0.000 0.814 711 A HN 0.281 nan 8.150 nan 0.000 0.444 712 A N -0.321 122.481 122.820 -0.029 0.000 1.865 712 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 712 A C 2.487 180.062 177.584 -0.015 0.000 1.191 712 A CA 2.057 54.084 52.037 -0.017 0.000 0.623 712 A CB -1.561 17.423 19.000 -0.026 0.000 0.826 712 A HN 0.786 nan 8.150 nan 0.000 0.444 713 G N 0.273 109.059 108.800 -0.024 0.000 2.476 713 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 713 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 713 G C 1.471 176.362 174.900 -0.015 0.000 1.164 713 G CA 1.310 46.399 45.100 -0.018 0.000 0.768 713 G HN 0.517 nan 8.290 nan 0.000 0.560 714 I N 0.352 120.913 120.570 -0.015 0.000 2.315 714 I HA -0.077 4.093 4.170 -0.000 0.000 0.248 714 I C 2.509 178.620 176.117 -0.010 0.000 1.117 714 I CA 0.800 62.093 61.300 -0.011 0.000 1.404 714 I CB -0.528 37.467 38.000 -0.008 0.000 1.071 714 I HN 0.119 nan 8.210 nan 0.000 0.419 715 M N 0.601 120.196 119.600 -0.009 0.000 2.632 715 M HA -0.101 4.379 4.480 -0.000 0.000 0.256 715 M C 1.802 178.091 176.300 -0.018 0.000 1.080 715 M CA 1.177 56.471 55.300 -0.010 0.000 1.084 715 M CB -1.049 31.546 32.600 -0.007 0.000 1.439 715 M HN 0.327 nan 8.290 nan 0.000 0.509 716 E N 0.498 120.687 120.200 -0.020 0.000 2.158 716 E HA -0.066 4.283 4.350 -0.000 0.000 0.191 716 E C 0.557 177.138 176.600 -0.031 0.000 0.982 716 E CA 0.401 56.784 56.400 -0.029 0.000 0.823 716 E CB 0.181 29.865 29.700 -0.026 0.000 0.766 716 E HN 0.528 nan 8.360 nan 0.000 0.468 717 N N 0.717 119.403 118.700 -0.024 0.000 2.410 717 N HA 0.140 4.880 4.740 -0.000 0.000 0.231 717 N C -0.428 175.070 175.510 -0.019 0.000 1.172 717 N CA 0.449 53.485 53.050 -0.022 0.000 0.849 717 N CB 0.506 38.983 38.487 -0.018 0.000 1.116 717 N HN 0.122 nan 8.380 nan 0.000 0.485 718 I N 0.038 120.596 120.570 -0.021 0.000 2.647 718 I HA 0.116 4.286 4.170 -0.000 0.000 0.295 718 I C 0.306 176.410 176.117 -0.023 0.000 1.078 718 I CA -0.849 60.441 61.300 -0.017 0.000 1.048 718 I CB 2.079 40.073 38.000 -0.011 0.000 1.239 718 I HN -0.036 nan 8.210 nan 0.000 0.421 719 S N 3.039 118.727 115.700 -0.020 0.000 2.579 719 S HA 0.077 4.547 4.470 -0.000 0.000 0.275 719 S C 0.631 175.214 174.600 -0.028 0.000 1.345 719 S CA -0.271 57.914 58.200 -0.024 0.000 1.031 719 S CB 1.000 64.189 63.200 -0.018 0.000 0.892 719 S HN 0.596 nan 8.310 nan 0.000 0.529 720 D N 1.866 122.244 120.400 -0.037 0.000 2.126 720 D HA -0.137 4.503 4.640 -0.000 0.000 0.190 720 D C 1.508 177.788 176.300 -0.032 0.000 1.001 720 D CA 1.984 55.957 54.000 -0.045 0.000 0.841 720 D CB -0.420 40.345 40.800 -0.057 0.000 0.949 720 D HN 0.702 nan 8.370 nan 0.000 0.446 721 D N 0.179 120.566 120.400 -0.023 0.000 2.127 721 D HA -0.149 4.491 4.640 -0.000 0.000 0.190 721 D C 2.344 178.643 176.300 -0.002 0.000 1.000 721 D CA 1.034 55.028 54.000 -0.010 0.000 0.839 721 D CB -0.589 40.208 40.800 -0.005 0.000 0.955 721 D HN 0.095 nan 8.370 nan 0.000 0.446 722 V N 1.371 121.284 119.914 -0.002 0.000 2.324 722 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 722 V C 2.577 178.675 176.094 0.006 0.000 1.060 722 V CA 1.310 63.612 62.300 0.004 0.000 1.042 722 V CB -0.438 31.387 31.823 0.002 0.000 0.650 722 V HN 0.183 nan 8.190 nan 0.000 0.450 723 I N -0.380 120.187 120.570 -0.005 0.000 2.163 723 I HA -0.178 3.992 4.170 -0.000 0.000 0.240 723 I C 2.282 178.401 176.117 0.003 0.000 1.081 723 I CA 1.288 62.584 61.300 -0.007 0.000 1.353 723 I CB -0.310 37.674 38.000 -0.027 0.000 1.054 723 I HN 0.134 nan 8.210 nan 0.000 0.407 724 V N 1.088 121.000 119.914 -0.003 0.000 2.720 724 V HA -0.202 3.918 4.120 -0.000 0.000 0.256 724 V C 2.444 178.568 176.094 0.049 0.000 1.082 724 V CA 1.779 64.088 62.300 0.016 0.000 1.101 724 V CB -1.698 30.122 31.823 -0.005 0.000 0.693 724 V HN 0.596 nan 8.190 nan 0.000 0.479 725 G N 1.195 110.016 108.800 0.036 0.000 2.552 725 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 725 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 725 G C 1.628 176.560 174.900 0.053 0.000 1.240 725 G CA 0.947 46.072 45.100 0.042 0.000 0.796 725 G HN 0.497 nan 8.290 nan 0.000 0.568 726 R N -0.558 119.970 120.500 0.046 0.000 2.127 726 R HA -0.073 4.267 4.340 -0.000 0.000 0.238 726 R C 2.588 178.932 176.300 0.074 0.000 1.134 726 R CA 1.047 57.176 56.100 0.048 0.000 0.975 726 R CB -1.050 29.272 30.300 0.036 0.000 0.865 726 R HN 0.374 nan 8.270 nan 0.000 0.447 727 C N 1.184 120.544 119.300 0.101 0.000 2.436 727 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 727 C C 2.700 177.821 174.990 0.218 0.000 1.241 727 C CA 0.730 59.863 59.018 0.191 0.000 1.721 727 C CB -0.878 26.962 27.740 0.168 0.000 2.043 727 C HN 0.443 nan 8.230 nan 0.000 0.472 728 L N 0.703 122.029 121.223 0.172 0.000 2.046 728 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 728 L C 2.839 179.764 176.870 0.092 0.000 1.077 728 L CA 1.501 56.433 54.840 0.154 0.000 0.747 728 L CB -1.015 41.122 42.059 0.129 0.000 0.896 728 L HN 0.392 nan 8.230 nan 0.000 0.432 729 A N 1.069 123.933 122.820 0.072 0.000 1.862 729 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 729 A C 2.162 179.773 177.584 0.045 0.000 1.251 729 A CA 2.347 54.413 52.037 0.049 0.000 0.673 729 A CB -1.096 17.932 19.000 0.047 0.000 0.843 729 A HN 0.301 nan 8.150 nan 0.000 0.458 730 I N -0.355 120.241 120.570 0.042 0.000 2.147 730 I HA -0.357 3.813 4.170 -0.000 0.000 0.245 730 I C 2.496 178.620 176.117 0.010 0.000 1.059 730 I CA 1.833 63.143 61.300 0.017 0.000 1.320 730 I CB -0.304 37.654 38.000 -0.070 0.000 1.021 730 I HN 0.386 nan 8.210 nan 0.000 0.415 731 L N -0.344 120.915 121.223 0.059 0.000 2.072 731 L HA -0.199 4.141 4.340 -0.000 0.000 0.205 731 L C 2.552 179.491 176.870 0.115 0.000 1.079 731 L CA 1.361 56.284 54.840 0.138 0.000 0.752 731 L CB -0.516 41.691 42.059 0.245 0.000 0.906 731 L HN 0.191 nan 8.230 nan 0.000 0.436 732 K N 0.147 120.555 120.400 0.014 0.000 2.002 732 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 732 K C 2.124 178.705 176.600 -0.032 0.000 1.048 732 K CA 1.367 57.629 56.287 -0.042 0.000 0.930 732 K CB -0.699 31.775 32.500 -0.043 0.000 0.714 732 K HN 0.365 nan 8.250 nan 0.000 0.438 733 G N 1.608 110.397 108.800 -0.020 0.000 2.656 733 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.223 733 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.223 733 G C 1.458 176.299 174.900 -0.098 0.000 1.130 733 G CA 1.444 46.526 45.100 -0.031 0.000 0.758 733 G HN 0.229 nan 8.290 nan 0.000 0.608 734 I N -1.728 118.733 120.570 -0.183 0.000 2.628 734 I HA 0.181 4.351 4.170 -0.000 0.000 0.255 734 I C 1.728 177.519 176.117 -0.543 0.000 1.119 734 I CA 0.470 61.475 61.300 -0.492 0.000 1.448 734 I CB 0.105 37.493 38.000 -1.020 0.000 1.133 734 I HN 0.089 nan 8.210 nan 0.000 0.438 735 F N 0.845 120.684 119.950 -0.184 0.000 2.678 735 F HA 0.421 4.948 4.527 -0.000 0.000 0.305 735 F C 0.941 176.656 175.800 -0.142 0.000 1.090 735 F CA 0.025 57.946 58.000 -0.133 0.000 1.272 735 F CB 0.574 39.550 39.000 -0.040 0.000 1.060 735 F HN 0.034 nan 8.300 nan 0.000 0.576 736 G N 0.293 109.084 108.800 -0.015 0.000 3.421 736 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 736 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 736 G C 0.616 175.465 174.900 -0.084 0.000 1.056 736 G CA -0.196 44.876 45.100 -0.047 0.000 0.891 736 G HN 0.042 nan 8.290 nan 0.000 0.514 737 S N 0.617 116.274 115.700 -0.071 0.000 2.448 737 S HA -0.309 4.161 4.470 -0.000 0.000 0.250 737 S C 2.522 177.060 174.600 -0.103 0.000 1.088 737 S CA 3.314 61.468 58.200 -0.077 0.000 1.058 737 S CB -0.124 63.047 63.200 -0.048 0.000 0.873 737 S HN 2.166 nan 8.310 nan 0.000 0.473 738 S N -1.086 114.553 115.700 -0.103 0.000 2.539 738 S HA 0.557 5.027 4.470 -0.000 0.000 0.221 738 S C 1.360 175.873 174.600 -0.145 0.000 0.987 738 S CA 0.308 58.446 58.200 -0.103 0.000 0.929 738 S CB 0.571 63.734 63.200 -0.062 0.000 0.832 738 S HN 0.491 nan 8.310 nan 0.000 0.492 739 A N 1.141 123.839 122.820 -0.204 0.000 2.178 739 A HA 0.495 4.815 4.320 -0.000 0.000 0.211 739 A C 0.684 177.875 177.584 -0.655 0.000 1.157 739 A CA 0.231 52.100 52.037 -0.280 0.000 0.780 739 A CB -0.067 18.833 19.000 -0.166 0.000 0.828 739 A HN 0.419 nan 8.150 nan 0.000 0.476 740 V N 3.130 122.614 119.914 -0.718 0.000 2.259 740 V HA 0.257 4.377 4.120 -0.000 0.000 0.267 740 V C -2.246 173.604 176.094 -0.408 0.000 1.051 740 V CA -1.686 60.017 62.300 -0.995 0.000 0.830 740 V CB 0.499 31.878 31.823 -0.740 0.000 1.080 740 V HN 0.302 nan 8.190 nan 0.000 0.467 741 P HA 0.240 nan 4.420 nan 0.000 0.279 741 P C -0.430 176.957 177.300 0.144 0.000 1.282 741 P CA -0.588 62.507 63.100 -0.009 0.000 0.788 741 P CB 0.721 32.466 31.700 0.075 0.000 1.139 742 Q N 0.269 120.166 119.800 0.162 0.000 2.361 742 Q HA 0.212 4.552 4.340 -0.000 0.000 0.276 742 Q C -1.976 174.216 176.000 0.320 0.000 1.022 742 Q CA -1.235 54.690 55.803 0.203 0.000 0.898 742 Q CB -0.870 27.939 28.738 0.120 0.000 1.246 742 Q HN 0.322 nan 8.270 nan 0.000 0.410 743 P HA 0.176 nan 4.420 nan 0.000 0.280 743 P C 0.263 177.567 177.300 0.007 0.000 1.244 743 P CA -0.370 62.773 63.100 0.070 0.000 0.784 743 P CB 0.876 32.444 31.700 -0.219 0.000 0.913 744 K N 1.104 121.506 120.400 0.003 0.000 2.097 744 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 744 K C 0.389 176.960 176.600 -0.049 0.000 1.050 744 K CA 1.422 57.726 56.287 0.027 0.000 0.938 744 K CB 0.198 32.773 32.500 0.125 0.000 0.718 744 K HN 0.565 nan 8.250 nan 0.000 0.442 745 E N 0.476 120.553 120.200 -0.204 0.000 2.331 745 E HA 0.199 4.549 4.350 -0.000 0.000 0.275 745 E C -0.732 175.668 176.600 -0.333 0.000 0.895 745 E CA -0.349 55.923 56.400 -0.213 0.000 0.753 745 E CB 2.341 31.930 29.700 -0.186 0.000 1.216 745 E HN 0.129 nan 8.360 nan 0.000 0.434 746 T N -1.845 112.544 114.554 -0.274 0.000 2.906 746 T HA 0.778 5.128 4.350 -0.000 0.000 0.295 746 T C -0.494 173.973 174.700 -0.388 0.000 1.061 746 T CA -0.672 61.228 62.100 -0.333 0.000 1.000 746 T CB 1.383 70.121 68.868 -0.215 0.000 1.103 746 T HN 0.141 nan 8.240 nan 0.000 0.486 747 V N 0.909 120.554 119.914 -0.448 0.000 2.925 747 V HA 0.796 4.916 4.120 -0.000 0.000 0.311 747 V C -0.815 175.125 176.094 -0.256 0.000 1.104 747 V CA -0.987 61.080 62.300 -0.389 0.000 0.954 747 V CB 2.073 33.544 31.823 -0.586 0.000 1.022 747 V HN 0.931 nan 8.190 nan 0.000 0.427 748 V N 2.204 122.007 119.914 -0.186 0.000 2.447 748 V HA 0.449 4.569 4.120 -0.000 0.000 0.292 748 V C 0.401 176.405 176.094 -0.150 0.000 1.021 748 V CA -0.367 61.846 62.300 -0.145 0.000 0.850 748 V CB 1.861 33.617 31.823 -0.112 0.000 1.005 748 V HN 1.120 nan 8.190 nan 0.000 0.426 749 S N 5.503 121.119 115.700 -0.140 0.000 2.573 749 S HA 0.381 4.851 4.470 -0.000 0.000 0.277 749 S C 0.162 174.624 174.600 -0.231 0.000 1.346 749 S CA -0.212 57.845 58.200 -0.237 0.000 1.034 749 S CB 0.513 63.651 63.200 -0.104 0.000 0.879 749 S HN 0.726 nan 8.310 nan 0.000 0.528 750 R N 2.026 122.302 120.500 -0.374 0.000 2.653 750 R HA 0.179 4.519 4.340 -0.000 0.000 0.269 750 R C -0.342 175.836 176.300 -0.202 0.000 1.603 750 R CA -0.247 55.726 56.100 -0.212 0.000 1.671 750 R CB 0.044 30.249 30.300 -0.159 0.000 1.300 750 R HN 0.855 nan 8.270 nan 0.000 0.668 751 W N 0.353 121.633 121.300 -0.034 0.000 2.350 751 W HA -0.148 4.512 4.660 -0.000 0.000 0.289 751 W C 2.249 178.753 176.519 -0.025 0.000 1.215 751 W CA 0.668 57.997 57.345 -0.026 0.000 1.236 751 W CB 0.034 29.467 29.460 -0.045 0.000 1.130 751 W HN 0.263 nan 8.180 nan 0.000 0.541 752 R N 0.863 121.450 120.500 0.144 0.000 2.115 752 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 752 R C 2.060 178.386 176.300 0.044 0.000 1.111 752 R CA 1.747 57.899 56.100 0.087 0.000 0.976 752 R CB -0.895 29.428 30.300 0.038 0.000 0.870 752 R HN 0.068 nan 8.270 nan 0.000 0.445 753 A N 0.125 122.942 122.820 -0.006 0.000 1.930 753 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 753 A C 0.561 178.087 177.584 -0.097 0.000 1.176 753 A CA 0.663 52.665 52.037 -0.058 0.000 0.632 753 A CB -0.529 18.424 19.000 -0.079 0.000 0.819 753 A HN 0.374 nan 8.150 nan 0.000 0.445 754 D N 0.740 121.083 120.400 -0.096 0.000 2.451 754 D HA 0.023 4.663 4.640 -0.000 0.000 0.254 754 D C -1.402 174.813 176.300 -0.141 0.000 1.204 754 D CA -1.437 52.481 54.000 -0.136 0.000 0.896 754 D CB 0.993 41.731 40.800 -0.102 0.000 1.136 754 D HN 0.188 nan 8.370 nan 0.000 0.499 755 P HA -0.061 nan 4.420 nan 0.000 0.233 755 P C 0.680 177.730 177.300 -0.417 0.000 1.167 755 P CA 0.694 63.491 63.100 -0.505 0.000 0.770 755 P CB -0.115 31.082 31.700 -0.838 0.000 0.837 756 W N -0.610 120.730 121.300 0.067 0.000 3.353 756 W HA 0.493 5.153 4.660 -0.000 0.000 0.304 756 W C 1.615 178.212 176.519 0.130 0.000 1.273 756 W CA -0.106 57.284 57.345 0.076 0.000 1.773 756 W CB 0.203 29.702 29.460 0.065 0.000 1.095 756 W HN 0.012 nan 8.180 nan 0.000 0.676 757 A N -0.229 122.783 122.820 0.321 0.000 1.786 757 A HA 0.267 4.587 4.320 -0.000 0.000 0.208 757 A C 1.373 179.179 177.584 0.371 0.000 1.787 757 A CA -0.182 52.086 52.037 0.384 0.000 1.125 757 A CB 0.255 19.606 19.000 0.585 0.000 1.082 757 A HN 0.017 nan 8.150 nan 0.000 0.534 758 R N -0.308 120.370 120.500 0.296 0.000 3.532 758 R HA -0.127 4.213 4.340 -0.000 0.000 0.284 758 R C 0.403 176.937 176.300 0.391 0.000 1.140 758 R CA 0.966 57.211 56.100 0.241 0.000 0.768 758 R CB -2.272 28.114 30.300 0.142 0.000 1.252 758 R HN 2.094 nan 8.270 nan 0.000 0.454 759 G N -2.320 106.676 108.800 0.327 0.000 2.361 759 G HA2 0.033 3.992 3.960 -0.000 0.000 0.331 759 G HA3 0.033 3.992 3.960 -0.000 0.000 0.331 759 G C 0.258 175.011 174.900 -0.246 0.000 1.324 759 G CA 0.146 45.213 45.100 -0.055 0.000 0.984 759 G HN 0.307 nan 8.290 nan 0.000 0.586 760 S N -1.308 113.937 115.700 -0.758 0.000 2.655 760 S HA 0.642 5.112 4.470 -0.000 0.000 0.231 760 S C 0.541 174.813 174.600 -0.547 0.000 1.044 760 S CA 1.596 59.391 58.200 -0.676 0.000 0.910 760 S CB 0.131 62.885 63.200 -0.744 0.000 0.833 760 S HN 2.063 nan 8.310 nan 0.000 0.581 761 Y N 0.903 120.874 120.300 -0.549 0.000 2.725 761 Y HA 0.764 5.314 4.550 -0.000 0.000 0.333 761 Y C -0.393 175.460 175.900 -0.078 0.000 1.242 761 Y CA -1.433 56.569 58.100 -0.164 0.000 1.059 761 Y CB 0.371 38.806 38.460 -0.043 0.000 1.306 761 Y HN 0.224 nan 8.280 nan 0.000 0.454 762 S N 0.663 116.661 115.700 0.498 0.000 2.614 762 S HA 0.702 5.172 4.470 -0.000 0.000 0.265 762 S C -0.990 173.864 174.600 0.423 0.000 1.303 762 S CA -0.081 58.354 58.200 0.391 0.000 1.000 762 S CB 0.704 64.090 63.200 0.311 0.000 0.935 762 S HN 1.199 nan 8.310 nan 0.000 0.551 763 Y N -2.161 118.309 120.300 0.283 0.000 2.597 763 Y HA 0.644 5.194 4.550 -0.000 0.000 0.340 763 Y C -1.313 174.755 175.900 0.281 0.000 1.097 763 Y CA -1.775 56.489 58.100 0.273 0.000 1.037 763 Y CB 0.497 39.066 38.460 0.183 0.000 1.305 763 Y HN 0.425 nan 8.280 nan 0.000 0.463 764 V N 3.296 123.517 119.914 0.511 0.000 2.381 764 V HA 0.530 4.650 4.120 -0.000 0.000 0.257 764 V C 0.837 177.194 176.094 0.439 0.000 1.057 764 V CA 0.039 62.573 62.300 0.390 0.000 1.013 764 V CB -0.706 31.328 31.823 0.351 0.000 1.069 764 V HN 0.973 nan 8.190 nan 0.000 0.484 765 A N 4.721 127.681 122.820 0.234 0.000 2.366 765 A HA 0.693 5.013 4.320 -0.000 0.000 0.249 765 A C 0.933 178.661 177.584 0.240 0.000 1.084 765 A CA 0.107 52.353 52.037 0.348 0.000 0.794 765 A CB 0.307 19.398 19.000 0.151 0.000 1.034 765 A HN 1.331 nan 8.150 nan 0.000 0.491 766 A N 0.183 123.129 122.820 0.209 0.000 2.548 766 A HA 0.464 4.784 4.320 -0.000 0.000 0.247 766 A C 1.568 179.211 177.584 0.098 0.000 1.067 766 A CA 0.909 53.025 52.037 0.130 0.000 0.757 766 A CB -0.999 18.047 19.000 0.077 0.000 0.996 766 A HN 2.741 nan 8.150 nan 0.000 0.504 767 G N 1.071 109.928 108.800 0.094 0.000 2.194 767 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.236 767 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.236 767 G C 0.656 175.591 174.900 0.058 0.000 0.987 767 G CA 0.790 45.928 45.100 0.064 0.000 0.635 767 G HN 1.627 nan 8.290 nan 0.000 0.520 768 S N -0.733 115.012 115.700 0.076 0.000 2.713 768 S HA 0.928 5.398 4.470 -0.000 0.000 0.296 768 S C 0.378 174.988 174.600 0.018 0.000 1.114 768 S CA 1.187 59.412 58.200 0.042 0.000 0.997 768 S CB 1.721 64.947 63.200 0.043 0.000 1.249 768 S HN 2.072 nan 8.310 nan 0.000 0.534 769 S N -1.392 114.281 115.700 -0.045 0.000 2.655 769 S HA 0.475 4.945 4.470 -0.000 0.000 0.266 769 S C 0.675 175.230 174.600 -0.075 0.000 1.149 769 S CA -0.132 57.904 58.200 -0.274 0.000 0.818 769 S CB 0.465 63.321 63.200 -0.574 0.000 1.130 769 S HN 1.089 nan 8.310 nan 0.000 0.476 770 G N 0.742 109.450 108.800 -0.153 0.000 2.679 770 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.212 770 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.212 770 G C 1.047 175.969 174.900 0.037 0.000 1.137 770 G CA 0.637 45.707 45.100 -0.050 0.000 0.787 770 G HN 0.790 nan 8.290 nan 0.000 0.534 771 N N 0.797 119.485 118.700 -0.020 0.000 2.409 771 N HA -0.087 4.653 4.740 -0.000 0.000 0.179 771 N C 1.104 176.636 175.510 0.037 0.000 1.032 771 N CA 0.730 53.777 53.050 -0.005 0.000 0.898 771 N CB -0.048 38.411 38.487 -0.048 0.000 0.971 771 N HN 0.065 nan 8.380 nan 0.000 0.441 772 D N 0.007 120.442 120.400 0.059 0.000 2.218 772 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 772 D C 1.307 177.609 176.300 0.003 0.000 0.976 772 D CA 0.792 54.801 54.000 0.015 0.000 0.853 772 D CB -0.318 40.466 40.800 -0.027 0.000 0.939 772 D HN 0.418 nan 8.370 nan 0.000 0.481 773 Y N 0.973 121.241 120.300 -0.053 0.000 2.274 773 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 773 Y C 2.120 177.982 175.900 -0.063 0.000 1.145 773 Y CA 0.777 58.843 58.100 -0.056 0.000 1.203 773 Y CB 0.138 38.566 38.460 -0.052 0.000 0.984 773 Y HN -0.084 nan 8.280 nan 0.000 0.533 774 D N -0.121 120.338 120.400 0.098 0.000 2.085 774 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 774 D C 2.326 178.625 176.300 -0.000 0.000 0.981 774 D CA 0.949 54.967 54.000 0.030 0.000 0.834 774 D CB -0.625 40.177 40.800 0.003 0.000 0.992 774 D HN 0.204 nan 8.370 nan 0.000 0.457 775 L N 0.448 121.667 121.223 -0.006 0.000 2.030 775 L HA -0.278 4.062 4.340 -0.000 0.000 0.222 775 L C 2.531 179.425 176.870 0.040 0.000 1.082 775 L CA 1.138 55.998 54.840 0.033 0.000 0.785 775 L CB -0.518 41.581 42.059 0.068 0.000 0.895 775 L HN 0.132 nan 8.230 nan 0.000 0.439 776 M N -0.983 118.575 119.600 -0.071 0.000 2.195 776 M HA -0.185 4.294 4.480 -0.000 0.000 0.260 776 M C 2.217 178.387 176.300 -0.217 0.000 1.066 776 M CA 2.032 57.206 55.300 -0.209 0.000 1.089 776 M CB -1.270 31.183 32.600 -0.246 0.000 1.377 776 M HN 0.370 nan 8.290 nan 0.000 0.411 777 A N -1.256 121.525 122.820 -0.065 0.000 2.238 777 A HA 0.059 4.379 4.320 -0.000 0.000 0.210 777 A C 0.963 178.617 177.584 0.117 0.000 1.179 777 A CA -0.079 51.976 52.037 0.030 0.000 0.827 777 A CB -0.198 18.825 19.000 0.037 0.000 0.856 777 A HN 0.341 nan 8.150 nan 0.000 0.488 778 Q N 1.899 121.751 119.800 0.087 0.000 2.262 778 Q HA 0.197 4.537 4.340 -0.000 0.000 0.272 778 Q C -2.307 173.838 176.000 0.243 0.000 1.076 778 Q CA -2.220 53.655 55.803 0.121 0.000 0.905 778 Q CB 0.446 29.198 28.738 0.023 0.000 1.182 778 Q HN 0.340 nan 8.270 nan 0.000 0.390 779 P HA 0.048 nan 4.420 nan 0.000 0.271 779 P C -0.568 176.761 177.300 0.048 0.000 1.233 779 P CA -0.001 63.115 63.100 0.027 0.000 0.789 779 P CB 0.780 32.303 31.700 -0.296 0.000 0.951 780 I N 0.602 121.107 120.570 -0.109 0.000 2.441 780 I HA 0.268 4.438 4.170 -0.000 0.000 0.295 780 I C 0.478 176.503 176.117 -0.154 0.000 0.994 780 I CA -0.273 60.975 61.300 -0.088 0.000 1.144 780 I CB 1.288 39.148 38.000 -0.233 0.000 1.314 780 I HN 0.190 nan 8.210 nan 0.000 0.445 781 T N 7.214 121.766 114.554 -0.003 0.000 2.791 781 T HA 0.409 4.759 4.350 -0.000 0.000 0.288 781 T C -2.228 172.548 174.700 0.128 0.000 0.999 781 T CA -1.070 61.052 62.100 0.037 0.000 0.952 781 T CB 1.522 70.411 68.868 0.035 0.000 0.938 781 T HN 0.411 nan 8.240 nan 0.000 0.444 782 P HA 0.247 nan 4.420 nan 0.000 0.269 782 P C 0.580 177.959 177.300 0.132 0.000 1.215 782 P CA -0.318 62.925 63.100 0.238 0.000 0.780 782 P CB 0.474 32.327 31.700 0.255 0.000 0.898 783 G N 2.094 110.954 108.800 0.100 0.000 2.716 783 G HA2 0.326 4.286 3.960 -0.000 0.000 0.251 783 G HA3 0.326 4.286 3.960 -0.000 0.000 0.251 783 G C -2.296 172.634 174.900 0.051 0.000 1.224 783 G CA -0.750 44.389 45.100 0.064 0.000 0.891 783 G HN 0.431 nan 8.290 nan 0.000 0.561 784 P HA 0.268 nan 4.420 nan 0.000 0.282 784 P C 0.642 177.957 177.300 0.024 0.000 1.249 784 P CA -0.432 62.688 63.100 0.033 0.000 0.806 784 P CB 1.828 33.544 31.700 0.026 0.000 0.984 785 S N 1.512 117.226 115.700 0.023 0.000 2.361 785 S HA -0.072 4.398 4.470 -0.000 0.000 0.214 785 S C 0.990 175.597 174.600 0.012 0.000 1.034 785 S CA 1.016 59.225 58.200 0.015 0.000 1.025 785 S CB -0.802 62.408 63.200 0.017 0.000 0.996 785 S HN 0.475 nan 8.310 nan 0.000 0.422 786 I N 3.929 124.507 120.570 0.013 0.000 2.517 786 I HA 0.187 4.357 4.170 -0.000 0.000 0.285 786 I C -2.164 173.959 176.117 0.011 0.000 1.106 786 I CA -1.929 59.377 61.300 0.010 0.000 1.402 786 I CB -0.229 37.777 38.000 0.010 0.000 1.399 786 I HN 0.120 nan 8.210 nan 0.000 0.535 787 P HA 0.116 nan 4.420 nan 0.000 0.269 787 P C 0.881 178.187 177.300 0.009 0.000 1.209 787 P CA 0.271 63.377 63.100 0.010 0.000 0.776 787 P CB 0.892 32.597 31.700 0.008 0.000 0.876 788 G N 0.580 109.386 108.800 0.010 0.000 2.179 788 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.260 788 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.260 788 G C 0.394 175.299 174.900 0.009 0.000 0.977 788 G CA 0.179 45.284 45.100 0.008 0.000 0.641 788 G HN 0.907 nan 8.290 nan 0.000 0.533 789 A N 1.226 124.053 122.820 0.011 0.000 2.340 789 A HA 0.704 5.024 4.320 -0.000 0.000 0.268 789 A C -0.928 176.664 177.584 0.013 0.000 1.100 789 A CA -0.571 51.473 52.037 0.012 0.000 0.803 789 A CB 0.206 19.215 19.000 0.015 0.000 1.043 789 A HN 0.358 nan 8.150 nan 0.000 0.488 790 P HA -0.007 nan 4.420 nan 0.000 0.263 790 P C -0.331 176.978 177.300 0.014 0.000 1.175 790 P CA 0.048 63.154 63.100 0.009 0.000 0.761 790 P CB 0.251 31.955 31.700 0.007 0.000 0.794 791 Q N 4.324 124.131 119.800 0.012 0.000 2.618 791 Q HA -0.036 4.304 4.340 -0.000 0.000 0.344 791 Q C -1.987 174.023 176.000 0.017 0.000 1.073 791 Q CA -0.100 55.712 55.803 0.015 0.000 1.105 791 Q CB -0.641 28.102 28.738 0.008 0.000 1.028 791 Q HN 0.313 nan 8.270 nan 0.000 0.397 792 P HA 0.238 nan 4.420 nan 0.000 0.281 792 P C -0.556 176.759 177.300 0.025 0.000 1.249 792 P CA -0.627 62.494 63.100 0.036 0.000 0.810 792 P CB 0.540 32.277 31.700 0.061 0.000 1.008 793 I N 2.189 122.766 120.570 0.012 0.000 3.276 793 I HA -0.181 3.989 4.170 -0.000 0.000 0.341 793 I C -1.890 174.253 176.117 0.044 0.000 1.151 793 I CA 0.483 61.782 61.300 -0.002 0.000 1.496 793 I CB -0.845 37.154 38.000 -0.002 0.000 1.264 793 I HN 0.367 nan 8.210 nan 0.000 0.525 794 P HA 0.327 nan 4.420 nan 0.000 0.284 794 P C -0.191 177.128 177.300 0.031 0.000 1.258 794 P CA -0.495 62.572 63.100 -0.055 0.000 0.824 794 P CB 1.175 32.763 31.700 -0.187 0.000 1.038 795 R N 0.709 121.139 120.500 -0.117 0.000 2.350 795 R HA 0.276 4.616 4.340 -0.000 0.000 0.199 795 R C -0.214 176.029 176.300 -0.094 0.000 0.876 795 R CA 0.113 56.263 56.100 0.084 0.000 1.062 795 R CB -0.326 30.070 30.300 0.160 0.000 1.263 795 R HN 0.318 nan 8.270 nan 0.000 0.641 796 L N 1.941 122.891 121.223 -0.456 0.000 2.276 796 L HA 0.483 4.823 4.340 -0.000 0.000 0.286 796 L C -1.226 175.240 176.870 -0.673 0.000 1.024 796 L CA -0.559 53.981 54.840 -0.500 0.000 0.826 796 L CB 0.502 42.155 42.059 -0.677 0.000 1.211 796 L HN -0.175 nan 8.230 nan 0.000 0.422 797 F N 4.543 124.254 119.950 -0.398 0.000 2.507 797 F HA 0.651 5.178 4.527 -0.000 0.000 0.327 797 F C -0.502 174.951 175.800 -0.580 0.000 1.068 797 F CA -0.534 57.306 58.000 -0.267 0.000 0.965 797 F CB 1.509 40.462 39.000 -0.078 0.000 1.192 797 F HN 0.174 nan 8.300 nan 0.000 0.476 798 F N 1.022 121.058 119.950 0.144 0.000 2.529 798 F HA 0.771 5.298 4.527 -0.000 0.000 0.320 798 F C 0.072 175.879 175.800 0.011 0.000 1.118 798 F CA -0.825 57.204 58.000 0.049 0.000 0.915 798 F CB 1.629 40.618 39.000 -0.018 0.000 1.161 798 F HN 0.605 nan 8.300 nan 0.000 0.445 799 A N 1.491 124.398 122.820 0.146 0.000 2.437 799 A HA 1.020 5.340 4.320 -0.000 0.000 0.288 799 A C -0.179 177.405 177.584 -0.001 0.000 1.201 799 A CA -0.507 51.559 52.037 0.047 0.000 0.795 799 A CB 1.555 20.571 19.000 0.027 0.000 1.359 799 A HN 1.688 nan 8.150 nan 0.000 0.435 800 G N -0.807 107.976 108.800 -0.029 0.000 2.465 800 G HA2 0.248 4.208 3.960 -0.000 0.000 0.681 800 G HA3 0.248 4.208 3.960 -0.000 0.000 0.681 800 G C 0.328 175.216 174.900 -0.019 0.000 1.340 800 G CA 0.421 45.535 45.100 0.024 0.000 0.884 800 G HN 1.180 nan 8.290 nan 0.000 0.650 801 E N 0.574 120.851 120.200 0.129 0.000 2.169 801 E HA -0.307 4.043 4.350 -0.000 0.000 0.202 801 E C 1.807 178.528 176.600 0.201 0.000 1.016 801 E CA 2.313 58.797 56.400 0.141 0.000 0.817 801 E CB -0.391 29.404 29.700 0.159 0.000 0.736 801 E HN 0.910 nan 8.360 nan 0.000 0.462 802 H N 0.007 119.119 119.070 0.070 0.000 2.562 802 H HA 0.064 4.620 4.556 -0.000 0.000 0.272 802 H C 1.286 176.558 175.328 -0.093 0.000 1.019 802 H CA 1.432 57.448 56.048 -0.054 0.000 1.160 802 H CB -0.616 29.053 29.762 -0.155 0.000 1.334 802 H HN 0.280 nan 8.280 nan 0.000 0.611 803 T N -2.487 111.918 114.554 -0.250 0.000 3.003 803 T HA 0.226 4.576 4.350 -0.000 0.000 0.261 803 T C 0.656 175.388 174.700 0.053 0.000 1.003 803 T CA -0.395 61.600 62.100 -0.175 0.000 0.917 803 T CB -0.207 68.510 68.868 -0.252 0.000 1.084 803 T HN 0.231 nan 8.240 nan 0.000 0.522 804 I N 3.199 123.851 120.570 0.137 0.000 2.442 804 I HA 0.417 4.587 4.170 -0.000 0.000 0.279 804 I C 1.650 177.794 176.117 0.047 0.000 1.081 804 I CA -1.213 60.146 61.300 0.099 0.000 1.197 804 I CB 0.598 38.639 38.000 0.068 0.000 1.394 804 I HN 0.115 nan 8.210 nan 0.000 0.488 805 R N 4.510 124.995 120.500 -0.024 0.000 2.134 805 R HA -0.254 4.086 4.340 -0.000 0.000 0.248 805 R C 0.704 176.746 176.300 -0.429 0.000 1.143 805 R CA 2.574 58.460 56.100 -0.355 0.000 0.957 805 R CB -0.253 29.941 30.300 -0.178 0.000 0.867 805 R HN 0.560 nan 8.270 nan 0.000 0.441 806 N N -0.635 117.818 118.700 -0.412 0.000 2.550 806 N HA -0.094 4.646 4.740 -0.000 0.000 0.186 806 N C -0.318 174.655 175.510 -0.896 0.000 1.110 806 N CA 0.941 53.503 53.050 -0.814 0.000 0.912 806 N CB 0.170 37.907 38.487 -1.250 0.000 0.968 806 N HN 0.460 nan 8.380 nan 0.000 0.448 807 Y N -0.873 119.284 120.300 -0.239 0.000 2.779 807 Y HA 0.283 4.833 4.550 -0.000 0.000 0.271 807 Y C -2.310 173.495 175.900 -0.158 0.000 0.940 807 Y CA -1.877 56.133 58.100 -0.150 0.000 1.112 807 Y CB 0.803 39.232 38.460 -0.052 0.000 1.200 807 Y HN -0.072 nan 8.280 nan 0.000 0.643 808 P HA -0.011 nan 4.420 nan 0.000 0.270 808 P C 0.823 178.101 177.300 -0.036 0.000 1.227 808 P CA 1.199 64.310 63.100 0.018 0.000 0.788 808 P CB 1.192 32.858 31.700 -0.057 0.000 0.926 809 A N -0.614 122.225 122.820 0.031 0.000 2.822 809 A HA -0.200 4.120 4.320 -0.000 0.000 0.279 809 A C 0.688 178.076 177.584 -0.326 0.000 1.356 809 A CA 1.989 53.935 52.037 -0.152 0.000 0.961 809 A CB -2.890 15.897 19.000 -0.355 0.000 0.977 809 A HN 0.878 nan 8.150 nan 0.000 0.650 810 T N -5.596 108.793 114.554 -0.274 0.000 2.916 810 T HA 0.643 4.993 4.350 -0.000 0.000 0.292 810 T C 0.923 175.434 174.700 -0.314 0.000 1.064 810 T CA -0.190 61.683 62.100 -0.379 0.000 1.011 810 T CB 1.679 70.153 68.868 -0.657 0.000 1.152 810 T HN 0.649 nan 8.240 nan 0.000 0.510 811 V N 1.893 121.673 119.914 -0.222 0.000 2.255 811 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 811 V C 2.797 178.841 176.094 -0.083 0.000 1.051 811 V CA 2.391 64.613 62.300 -0.130 0.000 1.018 811 V CB -1.235 30.537 31.823 -0.084 0.000 0.641 811 V HN 1.084 nan 8.190 nan 0.000 0.445 812 H N -0.107 119.009 119.070 0.076 0.000 2.421 812 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 812 H C 2.289 177.611 175.328 -0.009 0.000 1.087 812 H CA 1.645 57.734 56.048 0.068 0.000 1.330 812 H CB -0.766 29.117 29.762 0.202 0.000 1.388 812 H HN 0.418 nan 8.280 nan 0.000 0.526 813 G N 0.956 109.542 108.800 -0.357 0.000 2.418 813 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 813 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 813 G C 2.005 176.860 174.900 -0.074 0.000 1.158 813 G CA 1.465 46.489 45.100 -0.127 0.000 0.771 813 G HN 0.646 nan 8.290 nan 0.000 0.545 814 A N 0.993 123.763 122.820 -0.083 0.000 1.832 814 A HA 0.085 4.405 4.320 -0.000 0.000 0.214 814 A C 2.347 179.903 177.584 -0.046 0.000 1.200 814 A CA 1.435 53.447 52.037 -0.042 0.000 0.610 814 A CB -0.772 18.206 19.000 -0.036 0.000 0.842 814 A HN 0.315 nan 8.150 nan 0.000 0.444 815 L N 0.115 121.311 121.223 -0.045 0.000 2.058 815 L HA -0.263 4.077 4.340 -0.000 0.000 0.226 815 L C 2.419 179.227 176.870 -0.105 0.000 1.089 815 L CA 2.399 57.208 54.840 -0.052 0.000 0.799 815 L CB -1.168 40.877 42.059 -0.022 0.000 0.900 815 L HN 0.503 nan 8.230 nan 0.000 0.442 816 L N -0.280 120.867 121.223 -0.126 0.000 2.042 816 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 816 L C 2.797 179.600 176.870 -0.111 0.000 1.076 816 L CA 1.769 56.507 54.840 -0.170 0.000 0.749 816 L CB -0.673 41.253 42.059 -0.222 0.000 0.893 816 L HN 0.501 nan 8.230 nan 0.000 0.432 817 S N -0.306 115.353 115.700 -0.068 0.000 2.383 817 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 817 S C 2.063 176.643 174.600 -0.034 0.000 1.026 817 S CA 0.864 59.043 58.200 -0.035 0.000 0.981 817 S CB -0.967 62.219 63.200 -0.022 0.000 0.818 817 S HN 0.430 nan 8.310 nan 0.000 0.472 818 G N 2.795 111.566 108.800 -0.048 0.000 2.545 818 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 818 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 818 G C 1.462 176.320 174.900 -0.070 0.000 1.218 818 G CA 1.195 46.262 45.100 -0.054 0.000 0.787 818 G HN 0.513 nan 8.290 nan 0.000 0.571 819 L N 0.092 121.259 121.223 -0.094 0.000 2.021 819 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 819 L C 2.935 179.773 176.870 -0.052 0.000 1.074 819 L CA 1.835 56.615 54.840 -0.099 0.000 0.760 819 L CB -0.632 41.328 42.059 -0.164 0.000 0.889 819 L HN 0.239 nan 8.230 nan 0.000 0.433 820 R N 0.273 120.751 120.500 -0.037 0.000 2.112 820 R HA -0.210 4.130 4.340 -0.000 0.000 0.242 820 R C 2.262 178.582 176.300 0.033 0.000 1.137 820 R CA 1.945 58.055 56.100 0.016 0.000 0.944 820 R CB -0.109 30.203 30.300 0.020 0.000 0.857 820 R HN 0.345 nan 8.270 nan 0.000 0.435 821 E N 0.147 120.356 120.200 0.015 0.000 2.107 821 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 821 E C 1.917 178.480 176.600 -0.061 0.000 0.982 821 E CA 1.141 57.545 56.400 0.006 0.000 0.809 821 E CB -0.347 29.361 29.700 0.014 0.000 0.756 821 E HN 0.487 nan 8.360 nan 0.000 0.459 822 A N 1.195 123.976 122.820 -0.065 0.000 1.940 822 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 822 A C 2.457 180.082 177.584 0.069 0.000 1.176 822 A CA 2.011 54.010 52.037 -0.064 0.000 0.631 822 A CB -1.055 17.857 19.000 -0.148 0.000 0.814 822 A HN 0.338 nan 8.150 nan 0.000 0.446 823 G N -0.605 108.217 108.800 0.037 0.000 2.402 823 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 823 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 823 G C 1.717 176.590 174.900 -0.045 0.000 1.162 823 G CA 1.013 46.077 45.100 -0.059 0.000 0.777 823 G HN 0.617 nan 8.290 nan 0.000 0.539 824 R N -0.096 120.412 120.500 0.013 0.000 2.090 824 R HA 0.167 4.507 4.340 -0.000 0.000 0.228 824 R C 2.364 178.667 176.300 0.006 0.000 1.110 824 R CA 0.781 56.920 56.100 0.064 0.000 0.973 824 R CB -0.317 30.070 30.300 0.146 0.000 0.869 824 R HN 0.385 nan 8.270 nan 0.000 0.440 825 I N 0.865 121.351 120.570 -0.140 0.000 2.202 825 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 825 I C 2.494 178.646 176.117 0.059 0.000 1.091 825 I CA 1.254 62.418 61.300 -0.226 0.000 1.368 825 I CB -0.294 37.402 38.000 -0.506 0.000 1.058 825 I HN 0.326 nan 8.210 nan 0.000 0.410 826 A N 0.354 123.215 122.820 0.068 0.000 1.940 826 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 826 A C 1.911 179.502 177.584 0.012 0.000 1.176 826 A CA 2.218 54.310 52.037 0.090 0.000 0.631 826 A CB -0.649 18.414 19.000 0.106 0.000 0.814 826 A HN 0.366 nan 8.150 nan 0.000 0.446 827 D N -1.061 119.329 120.400 -0.017 0.000 2.117 827 D HA -0.143 4.496 4.640 -0.000 0.000 0.197 827 D C 2.086 178.342 176.300 -0.075 0.000 0.987 827 D CA 1.713 55.685 54.000 -0.045 0.000 0.829 827 D CB -0.351 40.450 40.800 0.001 0.000 0.961 827 D HN 0.535 nan 8.370 nan 0.000 0.460 828 Q N -0.608 119.146 119.800 -0.076 0.000 2.084 828 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 828 Q C 1.419 177.146 176.000 -0.457 0.000 0.978 828 Q CA 1.439 57.083 55.803 -0.266 0.000 0.844 828 Q CB -0.249 28.322 28.738 -0.279 0.000 0.898 828 Q HN 0.301 nan 8.270 nan 0.000 0.426 829 F N -1.742 118.205 119.950 -0.005 0.000 2.694 829 F HA 0.269 4.796 4.527 -0.000 0.000 0.292 829 F C 1.245 177.038 175.800 -0.011 0.000 1.121 829 F CA 0.097 58.097 58.000 -0.000 0.000 1.352 829 F CB 0.550 39.548 39.000 -0.003 0.000 1.107 829 F HN -0.032 nan 8.300 nan 0.000 0.597 830 L N -0.706 120.577 121.223 0.101 0.000 2.664 830 L HA 0.460 4.800 4.340 -0.000 0.000 0.233 830 L C 0.763 177.616 176.870 -0.028 0.000 1.113 830 L CA 0.173 55.036 54.840 0.038 0.000 0.896 830 L CB -0.351 41.724 42.059 0.026 0.000 1.163 830 L HN 0.147 nan 8.230 nan 0.000 0.497 831 G N 1.112 109.874 108.800 -0.063 0.000 2.757 831 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.686 831 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.686 831 G C -0.201 174.599 174.900 -0.167 0.000 1.452 831 G CA -0.339 44.694 45.100 -0.112 0.000 0.922 831 G HN 0.338 nan 8.290 nan 0.000 0.588 832 A N 3.466 126.130 122.820 -0.261 0.000 2.880 832 A HA 0.584 4.904 4.320 -0.000 0.000 0.328 832 A C 1.740 179.002 177.584 -0.537 0.000 1.440 832 A CA 0.509 52.233 52.037 -0.522 0.000 1.068 832 A CB -0.120 18.485 19.000 -0.658 0.000 1.163 832 A HN 0.826 nan 8.150 nan 0.000 0.510 833 M N 0.969 120.378 119.600 -0.318 0.000 2.308 833 M HA -0.294 4.186 4.480 -0.000 0.000 0.257 833 M C 2.008 178.189 176.300 -0.198 0.000 1.070 833 M CA 2.433 57.632 55.300 -0.168 0.000 1.080 833 M CB -1.905 30.683 32.600 -0.019 0.000 1.274 833 M HN 0.996 nan 8.290 nan 0.000 0.434 834 Y N 1.364 121.624 120.300 -0.066 0.000 2.738 834 Y HA -0.098 4.452 4.550 -0.000 0.000 0.293 834 Y C 1.926 177.700 175.900 -0.210 0.000 1.156 834 Y CA 1.207 59.251 58.100 -0.093 0.000 1.410 834 Y CB -2.007 36.417 38.460 -0.061 0.000 0.966 834 Y HN 0.417 nan 8.280 nan 0.000 0.568 835 T N -2.691 111.658 114.554 -0.342 0.000 3.107 835 T HA 0.295 4.645 4.350 -0.000 0.000 0.249 835 T C 0.243 174.828 174.700 -0.191 0.000 1.096 835 T CA -0.227 61.696 62.100 -0.295 0.000 1.012 835 T CB -0.120 68.556 68.868 -0.319 0.000 0.977 835 T HN 0.070 nan 8.240 nan 0.000 0.527 836 L N 0.000 121.148 121.223 -0.125 0.000 2.949 836 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 836 L CA 0.000 54.801 54.840 -0.066 0.000 0.813 836 L CB 0.000 42.028 42.059 -0.052 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502