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 2brp_1_A DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSISSQ DATA SEQUENCE ADRIYLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NWWDYEIGTP RAINNTLSLM KEYFSDEEIK DATA SEQUENCE KYTDVIEKFV PDPEHFRKTT DNPFKALGGN LVDMGRVKVI AGLLRKDDQE DATA SEQUENCE ISSTIRSIEQ VFKLVDQGEG FYQDGSYIDH TNVAYTGAYG NVLIDGLSQL DATA SEQUENCE LPVIQKTKNP IDKDKMQTMY HWIDKSFAPL LVNGELMDMS RGRSISRANS DATA SEQUENCE EGHVAAVEVL RGIHRIADMS EGETKQRLQS LVKTIVQSDS YYDVFKNLKT DATA SEQUENCE YKDISLMQSL LSDAGVASVP RTSYLSAFNK MDKTAMYNAE KGFGFGLSLF DATA SEQUENCE SSRTLNYEHM NKENKRGWYT SDGMFYLYNG DLSHYSDGYW PTVNPYKMPG DATA SEQUENCE TTETDAKRAD SDTGKVLPSA FVGTSKLDDA NATATMDFTN WNQTLTAHKS DATA SEQUENCE WFMLKDKIAF LGSNIQNTST DTAATTIDQR KLESSNPYKV YVNDKEASLT DATA SEQUENCE EQEKDYPETQ SVFLESSDSK KNIGYFFFKK SSISMSKALQ KGAWKDINEG DATA SEQUENCE QSDKEVENEF LTISQAHKQN GDSYGYMLIP NVDRATFNQM IKELESSLIE DATA SEQUENCE NNETLQSVYD AKQGVWGIVK YDDSVSTISN QFQVLKRGVY TIRKEGDEYK DATA SEQUENCE IAYYNPETQE SAPDQEVFKK L 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 170 V HA 0.000 nan 4.120 nan 0.000 0.244 170 V C 0.000 176.129 176.094 0.058 0.000 1.182 170 V CA 0.000 62.325 62.300 0.043 0.000 1.235 170 V CB 0.000 31.849 31.823 0.044 0.000 1.184 171 K N 3.048 123.477 120.400 0.049 0.000 2.258 171 K HA 0.616 4.847 4.320 -0.148 0.000 0.284 171 K C -0.886 175.750 176.600 0.061 0.000 1.051 171 K CA 0.056 56.374 56.287 0.052 0.000 0.923 171 K CB 0.877 33.398 32.500 0.034 0.000 1.046 171 K HN 0.944 nan 8.250 nan 0.000 0.474 172 D N 1.043 121.489 120.400 0.076 0.000 2.970 172 D HA -0.034 4.518 4.640 -0.148 0.000 0.344 172 D C 0.696 177.005 176.300 0.015 0.000 1.365 172 D CA -0.342 53.693 54.000 0.059 0.000 0.910 172 D CB 0.115 40.990 40.800 0.125 0.000 1.445 172 D HN 0.402 nan 8.370 nan 0.000 0.532 173 T N -2.863 111.635 114.554 -0.093 0.000 2.881 173 T HA -0.146 4.116 4.350 -0.148 0.000 0.270 173 T C 1.514 176.120 174.700 -0.157 0.000 1.068 173 T CA 1.173 63.174 62.100 -0.165 0.000 1.131 173 T CB -0.761 67.940 68.868 -0.278 0.000 0.871 173 T HN 0.394 nan 8.240 nan 0.000 0.479 174 Y N 2.805 123.112 120.300 0.012 0.000 2.163 174 Y HA -0.068 4.392 4.550 -0.151 0.000 0.288 174 Y C 3.300 179.213 175.900 0.023 0.000 1.136 174 Y CA 1.478 59.584 58.100 0.010 0.000 1.147 174 Y CB -1.293 37.169 38.460 0.004 0.000 0.987 174 Y HN 0.435 nan 8.280 nan 0.000 0.509 175 T N -2.614 112.055 114.554 0.193 0.000 2.881 175 T HA -0.161 4.100 4.350 -0.148 0.000 0.270 175 T C 1.382 176.142 174.700 0.100 0.000 1.068 175 T CA 1.534 63.713 62.100 0.132 0.000 1.131 175 T CB -0.398 68.533 68.868 0.106 0.000 0.871 175 T HN 0.168 nan 8.240 nan 0.000 0.479 176 D N 1.114 121.557 120.400 0.071 0.000 2.117 176 D HA -0.033 4.519 4.640 -0.148 0.000 0.197 176 D C 2.501 178.845 176.300 0.074 0.000 0.987 176 D CA 0.795 54.828 54.000 0.054 0.000 0.829 176 D CB -0.163 40.649 40.800 0.020 0.000 0.961 176 D HN 0.271 nan 8.370 nan 0.000 0.460 177 R N 0.271 120.815 120.500 0.074 0.000 2.092 177 R HA 0.027 4.278 4.340 -0.148 0.000 0.231 177 R C 2.525 178.915 176.300 0.151 0.000 1.119 177 R CA 0.278 56.433 56.100 0.093 0.000 0.970 177 R CB -0.842 29.495 30.300 0.062 0.000 0.864 177 R HN 0.313 nan 8.270 nan 0.000 0.440 178 L N 0.812 122.126 121.223 0.151 0.000 2.141 178 L HA -0.158 4.093 4.340 -0.148 0.000 0.209 178 L C 1.758 178.764 176.870 0.226 0.000 1.094 178 L CA 1.045 56.008 54.840 0.206 0.000 0.763 178 L CB -0.404 41.754 42.059 0.165 0.000 0.908 178 L HN 0.067 nan 8.230 nan 0.000 0.437 179 D N 0.054 120.550 120.400 0.159 0.000 2.144 179 D HA -0.164 4.388 4.640 -0.148 0.000 0.200 179 D C 1.720 178.104 176.300 0.139 0.000 0.978 179 D CA 1.104 55.180 54.000 0.127 0.000 0.833 179 D CB -0.066 40.785 40.800 0.085 0.000 0.961 179 D HN 0.297 nan 8.370 nan 0.000 0.470 180 D N -0.131 120.367 120.400 0.163 0.000 2.117 180 D HA -0.141 4.411 4.640 -0.148 0.000 0.198 180 D C 1.888 178.333 176.300 0.243 0.000 0.982 180 D CA 0.418 54.525 54.000 0.177 0.000 0.828 180 D CB -0.464 40.438 40.800 0.170 0.000 0.967 180 D HN 0.404 nan 8.370 nan 0.000 0.464 181 W N 1.776 123.116 121.300 0.065 0.000 2.338 181 W HA -0.193 4.374 4.660 -0.154 0.000 0.304 181 W C 1.419 177.980 176.519 0.069 0.000 1.212 181 W CA 0.776 58.159 57.345 0.064 0.000 1.264 181 W CB -0.016 29.478 29.460 0.057 0.000 1.142 181 W HN -0.055 nan 8.180 nan 0.000 0.512 182 N N 0.357 119.131 118.700 0.123 0.000 2.223 182 N HA -0.110 4.541 4.740 -0.148 0.000 0.185 182 N C 1.824 177.324 175.510 -0.017 0.000 1.016 182 N CA 1.734 54.788 53.050 0.007 0.000 0.863 182 N CB -1.175 37.364 38.487 0.087 0.000 0.983 182 N HN 0.257 nan 8.380 nan 0.000 0.429 183 G N -0.065 108.758 108.800 0.039 0.000 2.572 183 G HA2 -0.019 3.853 3.960 -0.148 0.000 0.216 183 G HA3 -0.019 3.853 3.960 -0.148 0.000 0.216 183 G C 1.544 176.526 174.900 0.137 0.000 1.133 183 G CA 0.082 45.241 45.100 0.097 0.000 0.791 183 G HN 0.252 nan 8.290 nan 0.000 0.538 184 I N 0.673 121.223 120.570 -0.035 0.000 2.556 184 I HA 0.106 4.187 4.170 -0.148 0.000 0.251 184 I C 2.449 178.392 176.117 -0.289 0.000 1.105 184 I CA 0.432 61.648 61.300 -0.138 0.000 1.436 184 I CB 0.018 37.905 38.000 -0.189 0.000 1.139 184 I HN 0.215 nan 8.210 nan 0.000 0.438 185 I N -1.566 118.706 120.570 -0.496 0.000 3.251 185 I HA 0.161 4.243 4.170 -0.148 0.000 0.277 185 I C 1.868 177.829 176.117 -0.259 0.000 1.268 185 I CA 1.080 62.100 61.300 -0.466 0.000 1.449 185 I CB -0.101 37.505 38.000 -0.657 0.000 1.083 185 I HN 0.075 nan 8.210 nan 0.000 0.464 186 A N 0.978 123.695 122.820 -0.172 0.000 1.773 186 A HA 0.536 4.768 4.320 -0.148 0.000 0.210 186 A C 1.776 179.350 177.584 -0.018 0.000 1.775 186 A CA 0.614 52.579 52.037 -0.120 0.000 1.157 186 A CB -0.292 18.678 19.000 -0.049 0.000 1.119 186 A HN 0.697 nan 8.150 nan 0.000 0.501 187 G N 0.910 109.779 108.800 0.115 0.000 2.198 187 G HA2 -0.278 3.594 3.960 -0.148 0.000 0.257 187 G HA3 -0.278 3.594 3.960 -0.148 0.000 0.257 187 G C 0.450 175.598 174.900 0.415 0.000 1.042 187 G CA 0.625 45.926 45.100 0.335 0.000 0.791 187 G HN 0.372 nan 8.290 nan 0.000 0.502 188 N N 0.325 119.189 118.700 0.273 0.000 2.272 188 N HA -0.130 4.522 4.740 -0.148 0.000 0.185 188 N C 2.456 178.008 175.510 0.071 0.000 1.014 188 N CA 1.668 54.857 53.050 0.231 0.000 0.870 188 N CB -0.214 38.350 38.487 0.129 0.000 0.975 188 N HN 0.957 nan 8.380 nan 0.000 0.433 189 Q N -0.629 119.112 119.800 -0.098 0.000 2.364 189 Q HA -0.119 4.133 4.340 -0.148 0.000 0.207 189 Q C 0.592 176.429 176.000 -0.271 0.000 0.970 189 Q CA 1.161 56.813 55.803 -0.252 0.000 0.888 189 Q CB -0.255 28.225 28.738 -0.430 0.000 0.951 189 Q HN 0.417 nan 8.270 nan 0.000 0.469 190 Y N -1.078 119.280 120.300 0.096 0.000 2.462 190 Y HA 0.180 4.644 4.550 -0.144 0.000 0.261 190 Y C 0.234 176.125 175.900 -0.015 0.000 1.146 190 Y CA -1.206 56.928 58.100 0.056 0.000 1.283 190 Y CB -0.139 38.380 38.460 0.097 0.000 1.090 190 Y HN 0.109 nan 8.280 nan 0.000 0.526 191 Y N 2.484 122.729 120.300 -0.092 0.000 2.702 191 Y HA 0.167 4.629 4.550 -0.146 0.000 0.336 191 Y C -0.112 175.657 175.900 -0.217 0.000 1.235 191 Y CA -0.031 57.847 58.100 -0.370 0.000 1.492 191 Y CB 0.386 38.518 38.460 -0.547 0.000 1.308 191 Y HN 0.072 nan 8.280 nan 0.000 0.589 192 D N 3.021 122.786 120.400 -1.059 0.000 2.478 192 D HA 0.116 4.667 4.640 -0.148 0.000 0.240 192 D C 0.369 176.126 176.300 -0.904 0.000 1.364 192 D CA 0.074 53.666 54.000 -0.681 0.000 0.987 192 D CB 1.082 41.666 40.800 -0.361 0.000 1.328 192 D HN 0.541 nan 8.370 nan 0.000 0.584 193 S N 3.293 118.614 115.700 -0.631 0.000 2.440 193 S HA -0.184 4.197 4.470 -0.148 0.000 0.238 193 S C 1.287 175.747 174.600 -0.234 0.000 1.010 193 S CA 0.789 58.788 58.200 -0.337 0.000 0.972 193 S CB -0.131 63.035 63.200 -0.055 0.000 0.774 193 S HN 0.494 nan 8.310 nan 0.000 0.501 194 K N 1.332 121.598 120.400 -0.223 0.000 2.487 194 K HA 0.171 4.403 4.320 -0.148 0.000 0.192 194 K C 0.408 176.907 176.600 -0.168 0.000 1.027 194 K CA -0.044 56.150 56.287 -0.154 0.000 1.054 194 K CB -0.097 32.331 32.500 -0.120 0.000 0.824 194 K HN 0.293 nan 8.250 nan 0.000 0.510 195 N N 1.984 120.541 118.700 -0.239 0.000 2.437 195 N HA -0.044 4.608 4.740 -0.148 0.000 0.243 195 N C -0.014 175.383 175.510 -0.188 0.000 1.041 195 N CA 0.251 53.171 53.050 -0.216 0.000 0.940 195 N CB 1.230 39.561 38.487 -0.261 0.000 1.133 195 N HN 0.003 nan 8.380 nan 0.000 0.506 196 D N 2.260 122.567 120.400 -0.155 0.000 2.127 196 D HA -0.222 4.329 4.640 -0.148 0.000 0.190 196 D C 1.415 177.633 176.300 -0.136 0.000 1.000 196 D CA 1.748 55.667 54.000 -0.134 0.000 0.839 196 D CB 0.468 41.185 40.800 -0.139 0.000 0.955 196 D HN 0.527 nan 8.370 nan 0.000 0.446 197 Q N -0.623 119.052 119.800 -0.209 0.000 2.084 197 Q HA -0.111 4.141 4.340 -0.148 0.000 0.202 197 Q C 2.453 178.437 176.000 -0.028 0.000 0.978 197 Q CA 0.981 56.656 55.803 -0.214 0.000 0.844 197 Q CB -0.382 28.053 28.738 -0.504 0.000 0.898 197 Q HN 0.514 nan 8.270 nan 0.000 0.426 198 M N -0.181 119.412 119.600 -0.012 0.000 2.117 198 M HA -0.118 4.273 4.480 -0.148 0.000 0.262 198 M C 2.252 178.705 176.300 0.256 0.000 1.065 198 M CA 1.505 56.895 55.300 0.150 0.000 1.114 198 M CB -0.423 32.097 32.600 -0.133 0.000 1.361 198 M HN 0.154 nan 8.290 nan 0.000 0.408 199 A N 0.286 123.154 122.820 0.079 0.000 1.972 199 A HA -0.206 4.026 4.320 -0.148 0.000 0.219 199 A C 2.123 179.797 177.584 0.150 0.000 1.169 199 A CA 1.903 54.038 52.037 0.163 0.000 0.635 199 A CB -0.609 18.413 19.000 0.037 0.000 0.810 199 A HN 0.446 nan 8.150 nan 0.000 0.446 200 K N -0.797 119.659 120.400 0.094 0.000 2.026 200 K HA -0.123 4.108 4.320 -0.148 0.000 0.208 200 K C 1.892 178.558 176.600 0.111 0.000 1.048 200 K CA 1.499 57.828 56.287 0.070 0.000 0.929 200 K CB -0.279 32.235 32.500 0.024 0.000 0.713 200 K HN 0.354 nan 8.250 nan 0.000 0.439 201 L N 2.000 123.327 121.223 0.172 0.000 2.083 201 L HA -0.166 4.085 4.340 -0.148 0.000 0.209 201 L C 1.901 178.889 176.870 0.196 0.000 1.083 201 L CA 1.803 56.747 54.840 0.173 0.000 0.752 201 L CB -0.898 41.284 42.059 0.205 0.000 0.899 201 L HN 0.330 nan 8.230 nan 0.000 0.433 202 N N -0.879 118.004 118.700 0.304 0.000 2.120 202 N HA -0.283 4.369 4.740 -0.148 0.000 0.188 202 N C 1.935 177.508 175.510 0.106 0.000 1.024 202 N CA 1.505 54.674 53.050 0.199 0.000 0.852 202 N CB -0.094 38.454 38.487 0.100 0.000 1.003 202 N HN 0.637 nan 8.380 nan 0.000 0.424 203 Q N 0.774 120.636 119.800 0.103 0.000 2.124 203 Q HA -0.192 4.060 4.340 -0.148 0.000 0.202 203 Q C 1.908 177.945 176.000 0.060 0.000 0.977 203 Q CA 1.395 57.238 55.803 0.067 0.000 0.850 203 Q CB -0.044 28.727 28.738 0.055 0.000 0.901 203 Q HN 0.468 nan 8.270 nan 0.000 0.429 204 E N 0.078 120.315 120.200 0.060 0.000 2.051 204 E HA -0.194 4.067 4.350 -0.148 0.000 0.192 204 E C 2.061 178.683 176.600 0.037 0.000 0.991 204 E CA 1.000 57.424 56.400 0.040 0.000 0.799 204 E CB -0.104 29.615 29.700 0.032 0.000 0.748 204 E HN 0.408 nan 8.360 nan 0.000 0.449 205 L N 0.883 122.134 121.223 0.045 0.000 2.141 205 L HA -0.147 4.105 4.340 -0.148 0.000 0.209 205 L C 2.591 179.509 176.870 0.080 0.000 1.094 205 L CA 0.820 55.684 54.840 0.040 0.000 0.763 205 L CB -0.349 41.732 42.059 0.038 0.000 0.908 205 L HN 0.145 nan 8.230 nan 0.000 0.437 206 E N 0.305 120.572 120.200 0.112 0.000 2.077 206 E HA -0.167 4.094 4.350 -0.148 0.000 0.193 206 E C 2.202 178.914 176.600 0.186 0.000 0.989 206 E CA 1.434 57.952 56.400 0.196 0.000 0.800 206 E CB -0.388 29.379 29.700 0.111 0.000 0.746 206 E HN 0.520 nan 8.360 nan 0.000 0.452 207 G N 1.648 110.508 108.800 0.099 0.000 2.418 207 G HA2 -0.268 3.604 3.960 -0.148 0.000 0.217 207 G HA3 -0.268 3.604 3.960 -0.148 0.000 0.217 207 G C 1.627 176.553 174.900 0.043 0.000 1.158 207 G CA 0.769 45.911 45.100 0.070 0.000 0.771 207 G HN 0.215 nan 8.290 nan 0.000 0.545 208 K N -0.089 120.321 120.400 0.017 0.000 2.057 208 K HA 0.000 4.232 4.320 -0.148 0.000 0.207 208 K C 2.565 179.130 176.600 -0.058 0.000 1.049 208 K CA 1.032 57.300 56.287 -0.031 0.000 0.931 208 K CB -0.282 32.190 32.500 -0.048 0.000 0.714 208 K HN 0.203 nan 8.250 nan 0.000 0.440 209 V N 1.386 121.268 119.914 -0.053 0.000 2.358 209 V HA -0.238 3.793 4.120 -0.148 0.000 0.246 209 V C 2.342 178.337 176.094 -0.165 0.000 1.047 209 V CA 1.978 64.178 62.300 -0.167 0.000 1.035 209 V CB -0.627 31.010 31.823 -0.311 0.000 0.658 209 V HN 0.354 nan 8.190 nan 0.000 0.452 210 A N -0.050 122.769 122.820 -0.002 0.000 1.902 210 A HA -0.260 3.971 4.320 -0.148 0.000 0.217 210 A C 2.009 179.622 177.584 0.048 0.000 1.181 210 A CA 2.065 54.158 52.037 0.094 0.000 0.623 210 A CB -0.627 18.488 19.000 0.191 0.000 0.818 210 A HN 0.539 nan 8.150 nan 0.000 0.443 211 D N -0.067 120.348 120.400 0.025 0.000 2.117 211 D HA -0.083 4.468 4.640 -0.148 0.000 0.197 211 D C 2.304 178.629 176.300 0.042 0.000 0.987 211 D CA 1.634 55.645 54.000 0.020 0.000 0.829 211 D CB -0.395 40.397 40.800 -0.013 0.000 0.961 211 D HN 0.390 nan 8.370 nan 0.000 0.460 212 S N 0.410 116.110 115.700 0.000 0.000 2.368 212 S HA -0.054 4.328 4.470 -0.148 0.000 0.225 212 S C 2.220 177.027 174.600 0.346 0.000 1.030 212 S CA 0.487 58.748 58.200 0.101 0.000 0.999 212 S CB -0.173 62.971 63.200 -0.095 0.000 0.844 212 S HN 0.245 nan 8.310 nan 0.000 0.459 213 L N 1.699 123.002 121.223 0.135 0.000 2.141 213 L HA -0.068 4.184 4.340 -0.148 0.000 0.209 213 L C 2.555 179.479 176.870 0.090 0.000 1.094 213 L CA 1.313 56.207 54.840 0.090 0.000 0.763 213 L CB -0.625 41.423 42.059 -0.017 0.000 0.908 213 L HN 0.415 nan 8.230 nan 0.000 0.437 214 S N -1.761 113.996 115.700 0.096 0.000 2.496 214 S HA -0.052 4.330 4.470 -0.148 0.000 0.224 214 S C 1.770 176.422 174.600 0.086 0.000 0.996 214 S CA 0.570 58.814 58.200 0.073 0.000 0.927 214 S CB -0.035 63.203 63.200 0.063 0.000 0.774 214 S HN 0.467 nan 8.310 nan 0.000 0.524 215 S N 0.194 115.993 115.700 0.165 0.000 2.540 215 S HA 0.382 4.763 4.470 -0.148 0.000 0.222 215 S C 0.392 175.083 174.600 0.151 0.000 1.008 215 S CA -0.646 57.666 58.200 0.187 0.000 0.939 215 S CB -0.573 62.776 63.200 0.249 0.000 0.865 215 S HN 0.559 nan 8.310 nan 0.000 0.499 216 I N 3.025 123.643 120.570 0.080 0.000 2.752 216 I HA 0.127 4.208 4.170 -0.148 0.000 0.287 216 I C -0.293 175.602 176.117 -0.370 0.000 1.188 216 I CA -0.013 61.013 61.300 -0.456 0.000 1.427 216 I CB 0.957 38.688 38.000 -0.447 0.000 1.365 216 I HN 0.127 nan 8.210 nan 0.000 0.585 217 S N 4.980 120.385 115.700 -0.491 0.000 2.510 217 S HA 0.098 4.479 4.470 -0.148 0.000 0.279 217 S C 0.468 174.836 174.600 -0.386 0.000 1.284 217 S CA -0.248 57.720 58.200 -0.385 0.000 1.059 217 S CB 0.519 63.422 63.200 -0.494 0.000 0.901 217 S HN 0.738 nan 8.310 nan 0.000 0.491 218 S N 1.944 117.483 115.700 -0.269 0.000 2.902 218 S HA 0.166 4.548 4.470 -0.148 0.000 0.250 218 S C 0.078 174.571 174.600 -0.179 0.000 1.046 218 S CA -0.880 57.185 58.200 -0.224 0.000 1.069 218 S CB 0.016 63.118 63.200 -0.163 0.000 0.967 218 S HN 0.785 nan 8.310 nan 0.000 0.530 219 Q N 0.960 120.640 119.800 -0.201 0.000 2.166 219 Q HA 0.791 5.043 4.340 -0.148 0.000 0.226 219 Q C -0.137 175.777 176.000 -0.144 0.000 0.989 219 Q CA -0.905 54.807 55.803 -0.152 0.000 0.966 219 Q CB 0.989 29.634 28.738 -0.153 0.000 1.173 219 Q HN 0.243 nan 8.270 nan 0.000 0.509 220 A N 1.616 124.377 122.820 -0.098 0.000 2.407 220 A HA 0.145 4.377 4.320 -0.148 0.000 0.248 220 A C -0.046 177.498 177.584 -0.067 0.000 1.082 220 A CA 0.220 52.217 52.037 -0.066 0.000 0.785 220 A CB -0.203 18.775 19.000 -0.037 0.000 1.020 220 A HN 0.958 nan 8.150 nan 0.000 0.489 221 D N 1.220 121.604 120.400 -0.027 0.000 2.982 221 D HA -0.225 4.327 4.640 -0.148 0.000 0.207 221 D C 0.172 176.450 176.300 -0.037 0.000 1.258 221 D CA 1.154 55.161 54.000 0.012 0.000 0.758 221 D CB -1.060 39.766 40.800 0.044 0.000 0.886 221 D HN 0.787 nan 8.370 nan 0.000 0.389 222 R N 0.149 120.572 120.500 -0.128 0.000 2.649 222 R HA 0.530 4.781 4.340 -0.148 0.000 0.270 222 R C 1.273 177.525 176.300 -0.080 0.000 1.105 222 R CA -0.748 55.194 56.100 -0.263 0.000 1.193 222 R CB 0.571 30.547 30.300 -0.542 0.000 1.120 222 R HN 0.261 nan 8.270 nan 0.000 0.561 223 I N -0.854 119.600 120.570 -0.193 0.000 4.035 223 I HA 0.136 4.217 4.170 -0.148 0.000 0.321 223 I C -0.376 175.959 176.117 0.363 0.000 1.289 223 I CA -0.139 61.232 61.300 0.118 0.000 1.236 223 I CB 0.205 38.240 38.000 0.059 0.000 1.076 223 I HN 0.608 nan 8.210 nan 0.000 0.418 224 Y N -2.667 117.657 120.300 0.040 0.000 2.641 224 Y HA 0.460 4.921 4.550 -0.149 0.000 0.333 224 Y C -0.179 175.463 175.900 -0.430 0.000 1.174 224 Y CA -1.304 56.816 58.100 0.034 0.000 1.057 224 Y CB 0.421 38.902 38.460 0.035 0.000 1.322 224 Y HN -0.273 nan 8.280 nan 0.000 0.457 225 L N 0.012 121.145 121.223 -0.151 0.000 2.127 225 L HA 0.135 4.386 4.340 -0.148 0.000 0.203 225 L C -0.124 176.394 176.870 -0.588 0.000 1.080 225 L CA 0.877 55.346 54.840 -0.619 0.000 0.768 225 L CB 0.230 41.884 42.059 -0.674 0.000 0.924 225 L HN 0.509 nan 8.230 nan 0.000 0.444 226 W N -0.076 121.356 121.300 0.220 0.000 2.900 226 W HA 0.206 4.774 4.660 -0.152 0.000 0.336 226 W C 0.864 177.261 176.519 -0.204 0.000 1.064 226 W CA -0.715 56.686 57.345 0.093 0.000 1.237 226 W CB 1.414 30.941 29.460 0.112 0.000 1.391 226 W HN -0.064 nan 8.180 nan 0.000 0.468 227 E N 2.242 122.328 120.200 -0.191 0.000 2.118 227 E HA -0.209 4.052 4.350 -0.148 0.000 0.195 227 E C 1.727 178.019 176.600 -0.515 0.000 0.992 227 E CA 1.353 57.328 56.400 -0.709 0.000 0.804 227 E CB 0.171 29.661 29.700 -0.350 0.000 0.741 227 E HN 0.468 nan 8.360 nan 0.000 0.458 228 K N -0.734 119.391 120.400 -0.457 0.000 2.281 228 K HA -0.132 4.099 4.320 -0.148 0.000 0.203 228 K C 0.016 176.074 176.600 -0.903 0.000 1.046 228 K CA 0.885 56.726 56.287 -0.745 0.000 0.938 228 K CB -0.016 31.856 32.500 -1.047 0.000 0.737 228 K HN -0.001 nan 8.250 nan 0.000 0.458 229 F N -0.035 119.849 119.950 -0.110 0.000 2.623 229 F HA 0.198 4.636 4.527 -0.148 0.000 0.361 229 F C 0.890 176.528 175.800 -0.270 0.000 1.469 229 F CA -0.745 57.189 58.000 -0.109 0.000 1.126 229 F CB 0.723 39.733 39.000 0.016 0.000 1.221 229 F HN -0.072 nan 8.300 nan 0.000 0.536 230 S N -1.411 114.069 115.700 -0.368 0.000 2.421 230 S HA -0.016 4.365 4.470 -0.148 0.000 0.224 230 S C 0.849 175.070 174.600 -0.632 0.000 1.035 230 S CA 0.130 57.967 58.200 -0.604 0.000 0.953 230 S CB -0.286 62.372 63.200 -0.904 0.000 0.810 230 S HN 0.336 nan 8.310 nan 0.000 0.497 231 N N 1.169 119.653 118.700 -0.360 0.000 2.421 231 N HA 0.132 4.783 4.740 -0.148 0.000 0.260 231 N C -0.639 174.788 175.510 -0.138 0.000 1.173 231 N CA -0.420 52.514 53.050 -0.193 0.000 0.960 231 N CB -0.241 38.206 38.487 -0.066 0.000 1.273 231 N HN 0.245 nan 8.380 nan 0.000 0.497 232 Y N 1.842 122.235 120.300 0.155 0.000 2.584 232 Y HA 0.087 4.548 4.550 -0.147 0.000 0.317 232 Y C 1.498 177.493 175.900 0.159 0.000 1.208 232 Y CA 0.129 58.325 58.100 0.159 0.000 1.299 232 Y CB 0.130 38.697 38.460 0.179 0.000 1.047 232 Y HN 0.430 nan 8.280 nan 0.000 0.506 233 K N -0.442 120.093 120.400 0.224 0.000 2.243 233 K HA 0.087 4.318 4.320 -0.148 0.000 0.201 233 K C 0.426 177.134 176.600 0.180 0.000 1.051 233 K CA 0.456 56.860 56.287 0.194 0.000 0.970 233 K CB -0.271 32.310 32.500 0.136 0.000 0.755 233 K HN 0.064 nan 8.250 nan 0.000 0.465 234 T N 2.378 117.022 114.554 0.150 0.000 2.739 234 T HA 0.046 4.307 4.350 -0.148 0.000 0.298 234 T C 1.261 176.058 174.700 0.161 0.000 0.929 234 T CA -0.064 62.114 62.100 0.131 0.000 1.014 234 T CB 0.959 69.882 68.868 0.092 0.000 0.914 234 T HN 0.204 nan 8.240 nan 0.000 0.509 235 S N 3.108 118.920 115.700 0.187 0.000 2.420 235 S HA -0.206 4.175 4.470 -0.148 0.000 0.237 235 S C 2.392 177.038 174.600 0.077 0.000 1.023 235 S CA 0.810 59.117 58.200 0.179 0.000 0.991 235 S CB -0.440 62.926 63.200 0.277 0.000 0.792 235 S HN 0.763 nan 8.310 nan 0.000 0.488 236 A N 2.476 125.343 122.820 0.078 0.000 2.024 236 A HA -0.115 4.116 4.320 -0.148 0.000 0.220 236 A C 2.041 179.628 177.584 0.005 0.000 1.164 236 A CA 1.547 53.607 52.037 0.037 0.000 0.643 236 A CB -1.025 17.996 19.000 0.035 0.000 0.806 236 A HN 0.763 nan 8.150 nan 0.000 0.451 237 N N -0.769 117.978 118.700 0.077 0.000 2.396 237 N HA -0.047 4.604 4.740 -0.148 0.000 0.180 237 N C 1.273 176.862 175.510 0.132 0.000 1.028 237 N CA 0.723 53.845 53.050 0.120 0.000 0.893 237 N CB -0.124 38.476 38.487 0.188 0.000 0.967 237 N HN 0.311 nan 8.380 nan 0.000 0.440 238 L N 0.494 121.774 121.223 0.096 0.000 2.044 238 L HA -0.069 4.183 4.340 -0.148 0.000 0.205 238 L C 2.369 179.242 176.870 0.005 0.000 1.075 238 L CA 1.532 56.390 54.840 0.030 0.000 0.747 238 L CB -0.897 41.063 42.059 -0.165 0.000 0.903 238 L HN 0.070 nan 8.230 nan 0.000 0.435 239 T N -0.369 114.138 114.554 -0.078 0.000 2.746 239 T HA -0.199 4.062 4.350 -0.148 0.000 0.267 239 T C 1.969 176.592 174.700 -0.127 0.000 1.039 239 T CA 1.355 63.403 62.100 -0.086 0.000 1.142 239 T CB -0.397 68.428 68.868 -0.071 0.000 0.866 239 T HN 0.399 nan 8.240 nan 0.000 0.444 240 A N 1.166 123.825 122.820 -0.269 0.000 1.933 240 A HA -0.116 4.115 4.320 -0.148 0.000 0.218 240 A C 2.553 179.827 177.584 -0.518 0.000 1.175 240 A CA 2.027 53.720 52.037 -0.573 0.000 0.628 240 A CB -1.170 17.109 19.000 -1.202 0.000 0.814 240 A HN 0.469 nan 8.150 nan 0.000 0.444 241 T N -1.278 113.107 114.554 -0.282 0.000 2.701 241 T HA -0.132 4.130 4.350 -0.148 0.000 0.263 241 T C 1.738 176.385 174.700 -0.089 0.000 1.040 241 T CA 1.751 63.808 62.100 -0.071 0.000 1.147 241 T CB -0.455 68.479 68.868 0.111 0.000 0.865 241 T HN 0.523 nan 8.240 nan 0.000 0.426 242 Y N 1.481 121.749 120.300 -0.052 0.000 2.274 242 Y HA -0.009 4.450 4.550 -0.151 0.000 0.290 242 Y C 2.587 178.430 175.900 -0.093 0.000 1.145 242 Y CA 0.753 58.817 58.100 -0.060 0.000 1.203 242 Y CB -0.265 38.120 38.460 -0.125 0.000 0.984 242 Y HN 0.072 nan 8.280 nan 0.000 0.533 243 R N -0.083 120.412 120.500 -0.008 0.000 2.189 243 R HA -0.110 4.141 4.340 -0.148 0.000 0.223 243 R C 1.977 178.207 176.300 -0.117 0.000 1.092 243 R CA 0.937 56.994 56.100 -0.071 0.000 0.989 243 R CB -0.111 30.116 30.300 -0.122 0.000 0.876 243 R HN 0.315 nan 8.270 nan 0.000 0.457 244 K N 0.422 120.706 120.400 -0.193 0.000 2.155 244 K HA -0.007 4.224 4.320 -0.148 0.000 0.203 244 K C 1.895 178.423 176.600 -0.121 0.000 1.052 244 K CA 0.780 56.899 56.287 -0.281 0.000 0.948 244 K CB 0.133 32.230 32.500 -0.672 0.000 0.728 244 K HN 0.151 nan 8.250 nan 0.000 0.448 245 L N 0.433 121.652 121.223 -0.006 0.000 2.179 245 L HA -0.089 4.163 4.340 -0.148 0.000 0.208 245 L C 2.449 179.350 176.870 0.052 0.000 1.096 245 L CA 0.925 55.810 54.840 0.075 0.000 0.779 245 L CB -0.270 41.875 42.059 0.142 0.000 0.922 245 L HN 0.255 nan 8.230 nan 0.000 0.443 246 E N 0.809 121.029 120.200 0.033 0.000 2.106 246 E HA -0.220 4.041 4.350 -0.148 0.000 0.192 246 E C 1.841 178.442 176.600 0.001 0.000 0.984 246 E CA 1.062 57.477 56.400 0.025 0.000 0.806 246 E CB 0.173 29.878 29.700 0.009 0.000 0.750 246 E HN 0.525 nan 8.360 nan 0.000 0.458 247 E N 0.138 120.319 120.200 -0.031 0.000 2.077 247 E HA -0.189 4.072 4.350 -0.148 0.000 0.193 247 E C 2.185 178.769 176.600 -0.026 0.000 0.989 247 E CA 1.244 57.619 56.400 -0.042 0.000 0.800 247 E CB -0.108 29.547 29.700 -0.076 0.000 0.746 247 E HN 0.372 nan 8.360 nan 0.000 0.452 248 M N 0.593 120.174 119.600 -0.031 0.000 2.117 248 M HA -0.135 4.256 4.480 -0.148 0.000 0.262 248 M C 2.538 178.844 176.300 0.009 0.000 1.065 248 M CA 1.382 56.659 55.300 -0.039 0.000 1.114 248 M CB -0.258 32.321 32.600 -0.035 0.000 1.361 248 M HN 0.135 nan 8.290 nan 0.000 0.408 249 A N 0.643 123.488 122.820 0.041 0.000 1.933 249 A HA -0.180 4.051 4.320 -0.148 0.000 0.218 249 A C 2.102 179.740 177.584 0.089 0.000 1.175 249 A CA 1.695 53.781 52.037 0.081 0.000 0.628 249 A CB -0.511 18.556 19.000 0.111 0.000 0.814 249 A HN 0.432 nan 8.150 nan 0.000 0.444 250 K N -0.816 119.621 120.400 0.062 0.000 2.026 250 K HA -0.147 4.084 4.320 -0.148 0.000 0.208 250 K C 2.246 178.902 176.600 0.094 0.000 1.048 250 K CA 1.441 57.765 56.287 0.062 0.000 0.929 250 K CB -0.152 32.357 32.500 0.015 0.000 0.713 250 K HN 0.395 nan 8.250 nan 0.000 0.439 251 Q N 0.391 120.246 119.800 0.093 0.000 2.187 251 Q HA -0.054 4.197 4.340 -0.148 0.000 0.199 251 Q C 2.175 178.291 176.000 0.194 0.000 0.957 251 Q CA 0.731 56.618 55.803 0.140 0.000 0.857 251 Q CB -0.375 28.473 28.738 0.183 0.000 0.929 251 Q HN 0.122 nan 8.270 nan 0.000 0.453 252 V N 1.846 121.849 119.914 0.149 0.000 2.913 252 V HA -0.130 3.901 4.120 -0.148 0.000 0.260 252 V C 1.601 177.824 176.094 0.216 0.000 1.098 252 V CA 2.096 64.473 62.300 0.128 0.000 1.121 252 V CB -0.326 31.488 31.823 -0.014 0.000 0.714 252 V HN 0.542 nan 8.190 nan 0.000 0.487 253 T N -3.124 111.584 114.554 0.257 0.000 3.134 253 T HA 0.161 4.422 4.350 -0.148 0.000 0.260 253 T C 0.533 175.423 174.700 0.316 0.000 1.027 253 T CA -0.080 62.220 62.100 0.333 0.000 0.913 253 T CB -0.705 68.310 68.868 0.246 0.000 1.046 253 T HN 0.525 nan 8.240 nan 0.000 0.553 254 N N 1.744 120.599 118.700 0.258 0.000 2.485 254 N HA 0.280 4.931 4.740 -0.148 0.000 0.243 254 N C -2.180 173.204 175.510 -0.211 0.000 0.987 254 N CA -2.324 50.738 53.050 0.020 0.000 0.940 254 N CB 1.749 40.217 38.487 -0.032 0.000 1.122 254 N HN -0.148 nan 8.380 nan 0.000 0.509 255 P HA -0.114 nan 4.420 nan 0.000 0.218 255 P C 0.425 177.401 177.300 -0.541 0.000 1.146 255 P CA 1.182 63.588 63.100 -1.157 0.000 0.813 255 P CB 0.321 31.596 31.700 -0.709 0.000 0.778 256 S N -1.880 113.633 115.700 -0.311 0.000 2.558 256 S HA 0.057 4.438 4.470 -0.148 0.000 0.217 256 S C 0.980 175.486 174.600 -0.157 0.000 0.975 256 S CA -0.061 58.032 58.200 -0.178 0.000 0.912 256 S CB -0.384 62.764 63.200 -0.086 0.000 0.776 256 S HN 0.139 nan 8.310 nan 0.000 0.526 257 S N 1.771 117.388 115.700 -0.137 0.000 2.584 257 S HA 0.168 4.549 4.470 -0.148 0.000 0.273 257 S C 1.314 175.882 174.600 -0.055 0.000 1.311 257 S CA -0.778 57.384 58.200 -0.063 0.000 1.034 257 S CB 0.695 63.923 63.200 0.046 0.000 0.939 257 S HN 0.531 nan 8.310 nan 0.000 0.513 258 R N 2.203 122.578 120.500 -0.208 0.000 2.280 258 R HA -0.008 4.243 4.340 -0.148 0.000 0.207 258 R C 0.107 176.194 176.300 -0.355 0.000 1.043 258 R CA 1.340 57.246 56.100 -0.323 0.000 1.006 258 R CB -0.408 29.590 30.300 -0.504 0.000 0.885 258 R HN 0.708 nan 8.270 nan 0.000 0.467 259 Y N -0.658 119.677 120.300 0.059 0.000 2.485 259 Y HA 0.159 4.619 4.550 -0.151 0.000 0.260 259 Y C -0.148 175.798 175.900 0.077 0.000 1.173 259 Y CA -1.648 56.480 58.100 0.047 0.000 1.252 259 Y CB -0.355 38.122 38.460 0.027 0.000 1.123 259 Y HN 0.000 nan 8.280 nan 0.000 0.524 260 Y N 2.942 123.283 120.300 0.069 0.000 2.745 260 Y HA -0.044 4.425 4.550 -0.134 0.000 0.335 260 Y C 0.991 176.926 175.900 0.058 0.000 1.212 260 Y CA 0.018 58.152 58.100 0.057 0.000 1.535 260 Y CB -0.245 38.230 38.460 0.025 0.000 1.220 260 Y HN 0.427 nan 8.280 nan 0.000 0.531 261 Q N 1.892 121.458 119.800 -0.390 0.000 2.450 261 Q HA -0.363 3.888 4.340 -0.148 0.000 0.255 261 Q C -0.268 175.627 176.000 -0.174 0.000 1.003 261 Q CA 1.252 56.840 55.803 -0.357 0.000 1.097 261 Q CB -1.063 27.346 28.738 -0.549 0.000 1.544 261 Q HN 0.820 nan 8.270 nan 0.000 0.531 262 D N 0.751 121.105 120.400 -0.076 0.000 2.458 262 D HA -0.037 4.514 4.640 -0.148 0.000 0.243 262 D C 1.167 177.427 176.300 -0.067 0.000 1.146 262 D CA 0.798 54.788 54.000 -0.016 0.000 0.877 262 D CB 0.826 41.687 40.800 0.102 0.000 1.176 262 D HN 0.359 nan 8.370 nan 0.000 0.461 263 E N 1.551 121.720 120.200 -0.052 0.000 2.110 263 E HA -0.242 4.019 4.350 -0.148 0.000 0.193 263 E C 1.682 178.242 176.600 -0.066 0.000 0.988 263 E CA 1.998 58.358 56.400 -0.066 0.000 0.804 263 E CB -0.483 29.194 29.700 -0.039 0.000 0.745 263 E HN 0.559 nan 8.360 nan 0.000 0.458 264 T N -1.239 113.293 114.554 -0.037 0.000 2.812 264 T HA -0.047 4.215 4.350 -0.148 0.000 0.264 264 T C 2.049 176.713 174.700 -0.060 0.000 1.042 264 T CA 1.055 63.132 62.100 -0.038 0.000 1.140 264 T CB -0.691 68.170 68.868 -0.012 0.000 0.870 264 T HN 0.077 nan 8.240 nan 0.000 0.445 265 V N 1.494 121.370 119.914 -0.063 0.000 2.358 265 V HA -0.108 3.923 4.120 -0.148 0.000 0.246 265 V C 2.958 178.973 176.094 -0.132 0.000 1.047 265 V CA 1.291 63.535 62.300 -0.094 0.000 1.035 265 V CB -0.737 31.032 31.823 -0.091 0.000 0.658 265 V HN 0.385 nan 8.190 nan 0.000 0.452 266 V N 0.097 119.891 119.914 -0.200 0.000 2.295 266 V HA -0.276 3.755 4.120 -0.148 0.000 0.246 266 V C 2.556 178.519 176.094 -0.219 0.000 1.049 266 V CA 2.506 64.613 62.300 -0.322 0.000 1.024 266 V CB -0.749 30.788 31.823 -0.476 0.000 0.648 266 V HN 0.494 nan 8.190 nan 0.000 0.447 267 R N -0.463 119.949 120.500 -0.147 0.000 2.115 267 R HA -0.125 4.127 4.340 -0.148 0.000 0.226 267 R C 2.310 178.573 176.300 -0.063 0.000 1.100 267 R CA 1.725 57.767 56.100 -0.097 0.000 0.980 267 R CB -0.313 29.945 30.300 -0.070 0.000 0.875 267 R HN 0.527 nan 8.270 nan 0.000 0.445 268 T N 0.248 114.765 114.554 -0.062 0.000 2.708 268 T HA -0.096 4.166 4.350 -0.148 0.000 0.266 268 T C 1.783 176.482 174.700 -0.002 0.000 1.037 268 T CA 1.462 63.537 62.100 -0.042 0.000 1.146 268 T CB -0.109 68.736 68.868 -0.039 0.000 0.865 268 T HN 0.019 nan 8.240 nan 0.000 0.435 269 V N 1.492 121.412 119.914 0.010 0.000 2.261 269 V HA -0.201 3.830 4.120 -0.148 0.000 0.246 269 V C 2.635 178.814 176.094 0.141 0.000 1.047 269 V CA 1.715 64.066 62.300 0.086 0.000 1.015 269 V CB -0.565 31.317 31.823 0.099 0.000 0.642 269 V HN 0.377 nan 8.190 nan 0.000 0.446 270 R N -0.048 120.500 120.500 0.080 0.000 2.080 270 R HA -0.185 4.066 4.340 -0.148 0.000 0.236 270 R C 2.121 178.501 176.300 0.134 0.000 1.137 270 R CA 1.984 58.155 56.100 0.119 0.000 0.943 270 R CB -0.550 29.693 30.300 -0.095 0.000 0.846 270 R HN 0.501 nan 8.270 nan 0.000 0.431 271 D N -0.066 120.377 120.400 0.073 0.000 2.144 271 D HA -0.088 4.463 4.640 -0.148 0.000 0.199 271 D C 1.925 178.294 176.300 0.115 0.000 0.984 271 D CA 1.237 55.290 54.000 0.087 0.000 0.834 271 D CB -0.173 40.642 40.800 0.026 0.000 0.955 271 D HN 0.049 nan 8.370 nan 0.000 0.465 272 S N -0.097 115.646 115.700 0.071 0.000 2.383 272 S HA -0.073 4.308 4.470 -0.148 0.000 0.227 272 S C 1.905 176.580 174.600 0.125 0.000 1.026 272 S CA 0.643 58.889 58.200 0.077 0.000 0.981 272 S CB -0.002 63.219 63.200 0.036 0.000 0.818 272 S HN 0.213 nan 8.310 nan 0.000 0.472 273 M N 1.051 120.687 119.600 0.059 0.000 2.117 273 M HA -0.035 4.356 4.480 -0.148 0.000 0.262 273 M C 2.219 178.497 176.300 -0.037 0.000 1.065 273 M CA 1.359 56.596 55.300 -0.104 0.000 1.114 273 M CB -1.274 31.029 32.600 -0.494 0.000 1.361 273 M HN 0.221 nan 8.290 nan 0.000 0.408 274 E N -0.571 119.703 120.200 0.123 0.000 2.047 274 E HA -0.217 4.045 4.350 -0.148 0.000 0.191 274 E C 1.846 178.680 176.600 0.389 0.000 0.987 274 E CA 1.601 58.209 56.400 0.347 0.000 0.799 274 E CB -0.433 29.464 29.700 0.328 0.000 0.752 274 E HN 0.470 nan 8.360 nan 0.000 0.449 275 W N 0.189 121.587 121.300 0.164 0.000 2.333 275 W HA -0.208 4.361 4.660 -0.152 0.000 0.316 275 W C 1.937 178.579 176.519 0.204 0.000 1.215 275 W CA 2.025 59.468 57.345 0.165 0.000 1.278 275 W CB -0.250 29.206 29.460 -0.007 0.000 1.154 275 W HN 0.086 nan 8.180 nan 0.000 0.486 276 M N -0.475 119.314 119.600 0.315 0.000 2.149 276 M HA -0.255 4.137 4.480 -0.148 0.000 0.261 276 M C 2.263 178.632 176.300 0.115 0.000 1.064 276 M CA 2.052 57.410 55.300 0.097 0.000 1.102 276 M CB -2.175 30.461 32.600 0.060 0.000 1.369 276 M HN 0.296 nan 8.290 nan 0.000 0.408 277 H N 0.739 119.908 119.070 0.165 0.000 2.353 277 H HA -0.094 4.377 4.556 -0.143 0.000 0.300 277 H C 1.700 177.047 175.328 0.032 0.000 1.090 277 H CA 1.580 57.742 56.048 0.189 0.000 1.327 277 H CB 0.154 30.133 29.762 0.363 0.000 1.383 277 H HN 0.342 nan 8.280 nan 0.000 0.508 278 K N -0.703 119.685 120.400 -0.021 0.000 2.167 278 K HA -0.064 4.167 4.320 -0.148 0.000 0.203 278 K C 1.191 177.428 176.600 -0.605 0.000 1.052 278 K CA 1.108 57.214 56.287 -0.301 0.000 0.956 278 K CB 0.211 32.576 32.500 -0.225 0.000 0.735 278 K HN 0.502 nan 8.250 nan 0.000 0.451 279 H N -1.908 116.853 119.070 -0.515 0.000 2.986 279 H HA 0.141 4.607 4.556 -0.149 0.000 0.267 279 H C 1.155 176.212 175.328 -0.452 0.000 1.072 279 H CA 0.001 55.718 56.048 -0.552 0.000 1.202 279 H CB 0.905 30.129 29.762 -0.897 0.000 1.535 279 H HN -0.128 nan 8.280 nan 0.000 0.522 280 V N -1.490 118.251 119.914 -0.288 0.000 3.165 280 V HA 0.109 4.140 4.120 -0.148 0.000 0.231 280 V C -0.869 175.259 176.094 0.057 0.000 1.365 280 V CA 0.097 62.279 62.300 -0.198 0.000 1.286 280 V CB 0.743 32.274 31.823 -0.487 0.000 1.081 280 V HN 0.198 nan 8.190 nan 0.000 0.477 281 Y N 4.381 124.656 120.300 -0.042 0.000 2.402 281 Y HA 0.611 5.071 4.550 -0.150 0.000 0.325 281 Y C -0.418 175.535 175.900 0.088 0.000 1.009 281 Y CA -1.282 56.864 58.100 0.076 0.000 1.278 281 Y CB 0.648 39.184 38.460 0.126 0.000 1.105 281 Y HN 0.481 nan 8.280 nan 0.000 0.476 282 N N 1.139 119.724 118.700 -0.192 0.000 2.934 282 N HA 0.171 4.822 4.740 -0.148 0.000 0.253 282 N C -0.302 175.069 175.510 -0.231 0.000 1.466 282 N CA -0.717 52.175 53.050 -0.263 0.000 0.858 282 N CB 1.467 39.739 38.487 -0.359 0.000 1.459 282 N HN 0.232 nan 8.380 nan 0.000 0.532 283 S N 0.067 115.621 115.700 -0.244 0.000 2.419 283 S HA -0.138 4.243 4.470 -0.148 0.000 0.235 283 S C 1.043 175.491 174.600 -0.255 0.000 1.019 283 S CA 1.310 59.334 58.200 -0.292 0.000 0.982 283 S CB -0.360 62.711 63.200 -0.216 0.000 0.789 283 S HN 0.560 nan 8.310 nan 0.000 0.490 284 E N 0.315 120.411 120.200 -0.173 0.000 2.481 284 E HA 0.054 4.315 4.350 -0.148 0.000 0.195 284 E C 0.346 176.907 176.600 -0.065 0.000 1.047 284 E CA 0.389 56.716 56.400 -0.122 0.000 0.867 284 E CB 0.279 29.914 29.700 -0.107 0.000 0.858 284 E HN 0.270 nan 8.360 nan 0.000 0.513 285 K N 0.723 121.114 120.400 -0.015 0.000 2.090 285 K HA 0.388 4.619 4.320 -0.148 0.000 0.249 285 K C -0.097 176.648 176.600 0.241 0.000 0.995 285 K CA -0.245 56.129 56.287 0.145 0.000 0.914 285 K CB 1.832 34.499 32.500 0.278 0.000 1.057 285 K HN -0.161 nan 8.250 nan 0.000 0.462 286 S N 0.439 116.294 115.700 0.258 0.000 2.568 286 S HA 0.464 4.845 4.470 -0.148 0.000 0.293 286 S C 0.139 174.744 174.600 0.008 0.000 1.089 286 S CA -0.812 57.519 58.200 0.219 0.000 0.945 286 S CB 1.148 64.400 63.200 0.087 0.000 1.077 286 S HN 0.386 nan 8.310 nan 0.000 0.485 287 I N 2.247 122.703 120.570 -0.191 0.000 2.742 287 I HA 0.062 4.143 4.170 -0.148 0.000 0.287 287 I C -0.775 175.078 176.117 -0.440 0.000 1.186 287 I CA 0.257 61.051 61.300 -0.842 0.000 1.417 287 I CB 0.066 37.808 38.000 -0.430 0.000 1.377 287 I HN 0.161 nan 8.210 nan 0.000 0.556 288 V N 6.761 126.410 119.914 -0.441 0.000 2.380 288 V HA 0.732 4.764 4.120 -0.148 0.000 0.286 288 V C 0.545 176.711 176.094 0.119 0.000 1.015 288 V CA 0.277 62.570 62.300 -0.012 0.000 0.834 288 V CB 0.651 32.554 31.823 0.133 0.000 1.009 288 V HN 1.181 nan 8.190 nan 0.000 0.428 289 G N 5.398 114.257 108.800 0.099 0.000 2.846 289 G HA2 -0.191 3.681 3.960 -0.148 0.000 0.225 289 G HA3 -0.191 3.681 3.960 -0.148 0.000 0.225 289 G C -0.261 174.729 174.900 0.149 0.000 1.285 289 G CA 0.085 45.269 45.100 0.140 0.000 1.055 289 G HN 0.836 nan 8.290 nan 0.000 0.579 290 N N 1.846 120.651 118.700 0.176 0.000 2.414 290 N HA 0.268 4.919 4.740 -0.148 0.000 0.256 290 N C 1.541 177.143 175.510 0.153 0.000 1.029 290 N CA -0.118 53.024 53.050 0.154 0.000 0.948 290 N CB 0.281 38.818 38.487 0.083 0.000 1.102 290 N HN 0.775 nan 8.380 nan 0.000 0.496 291 W N 3.542 124.940 121.300 0.163 0.000 2.350 291 W HA -0.158 4.414 4.660 -0.148 0.000 0.289 291 W C 1.150 177.773 176.519 0.174 0.000 1.215 291 W CA 0.071 57.500 57.345 0.140 0.000 1.236 291 W CB -1.205 28.336 29.460 0.135 0.000 1.130 291 W HN 0.665 nan 8.180 nan 0.000 0.541 292 W N 3.070 123.454 121.300 -1.528 0.000 2.325 292 W HA -0.224 4.348 4.660 -0.146 0.000 0.299 292 W C 2.068 178.220 176.519 -0.611 0.000 1.215 292 W CA 2.752 59.218 57.345 -1.465 0.000 1.244 292 W CB -0.437 28.310 29.460 -1.189 0.000 1.140 292 W HN -0.151 nan 8.180 nan 0.000 0.523 293 D N -1.439 118.847 120.400 -0.191 0.000 2.144 293 D HA -0.200 4.351 4.640 -0.148 0.000 0.200 293 D C 1.768 177.825 176.300 -0.406 0.000 0.978 293 D CA 1.485 55.339 54.000 -0.243 0.000 0.833 293 D CB -0.678 40.081 40.800 -0.068 0.000 0.961 293 D HN 0.252 nan 8.370 nan 0.000 0.470 294 Y N 1.236 121.338 120.300 -0.330 0.000 2.373 294 Y HA -0.014 4.448 4.550 -0.147 0.000 0.293 294 Y C 2.095 177.842 175.900 -0.254 0.000 1.129 294 Y CA 0.832 58.723 58.100 -0.349 0.000 1.226 294 Y CB 0.186 38.342 38.460 -0.507 0.000 1.000 294 Y HN 0.010 nan 8.280 nan 0.000 0.549 295 E N -1.529 118.621 120.200 -0.083 0.000 2.447 295 E HA 0.171 4.432 4.350 -0.148 0.000 0.204 295 E C 1.195 177.698 176.600 -0.161 0.000 0.977 295 E CA 0.386 56.812 56.400 0.043 0.000 0.950 295 E CB 0.526 30.438 29.700 0.355 0.000 0.975 295 E HN 0.401 nan 8.360 nan 0.000 0.496 296 I N -0.829 119.372 120.570 -0.615 0.000 3.669 296 I HA 0.129 4.210 4.170 -0.148 0.000 0.255 296 I C 2.248 177.828 176.117 -0.895 0.000 1.144 296 I CA 0.397 61.229 61.300 -0.781 0.000 1.447 296 I CB -0.314 36.953 38.000 -1.222 0.000 1.622 296 I HN 0.052 nan 8.210 nan 0.000 0.435 297 G N 1.086 109.005 108.800 -1.470 0.000 2.545 297 G HA2 -0.252 3.619 3.960 -0.148 0.000 0.217 297 G HA3 -0.252 3.619 3.960 -0.148 0.000 0.217 297 G C 1.567 176.166 174.900 -0.501 0.000 1.218 297 G CA 2.062 46.583 45.100 -0.965 0.000 0.787 297 G HN 0.256 nan 8.290 nan 0.000 0.571 298 T N 1.991 116.230 114.554 -0.526 0.000 2.737 298 T HA -0.037 4.224 4.350 -0.148 0.000 0.265 298 T C 0.274 174.667 174.700 -0.513 0.000 1.038 298 T CA 1.608 63.371 62.100 -0.562 0.000 1.144 298 T CB -0.848 67.495 68.868 -0.875 0.000 0.866 298 T HN 0.222 nan 8.240 nan 0.000 0.434 299 P HA -0.028 nan 4.420 nan 0.000 0.216 299 P C 1.478 178.680 177.300 -0.164 0.000 1.150 299 P CA 1.136 64.120 63.100 -0.193 0.000 0.837 299 P CB 0.005 31.660 31.700 -0.076 0.000 0.786 300 R N -0.644 119.752 120.500 -0.174 0.000 2.075 300 R HA -0.031 4.221 4.340 -0.148 0.000 0.232 300 R C 2.294 178.562 176.300 -0.053 0.000 1.126 300 R CA 1.508 57.563 56.100 -0.076 0.000 0.963 300 R CB -0.988 29.271 30.300 -0.069 0.000 0.858 300 R HN 0.133 nan 8.270 nan 0.000 0.435 301 A N 0.974 123.720 122.820 -0.122 0.000 1.933 301 A HA -0.121 4.110 4.320 -0.148 0.000 0.218 301 A C 2.104 179.638 177.584 -0.084 0.000 1.175 301 A CA 1.155 53.145 52.037 -0.078 0.000 0.628 301 A CB -0.415 18.541 19.000 -0.073 0.000 0.814 301 A HN 0.186 nan 8.150 nan 0.000 0.444 302 I N -0.156 120.288 120.570 -0.209 0.000 2.252 302 I HA -0.220 3.862 4.170 -0.148 0.000 0.245 302 I C 2.119 178.188 176.117 -0.081 0.000 1.102 302 I CA 0.972 62.153 61.300 -0.199 0.000 1.385 302 I CB -0.455 37.360 38.000 -0.308 0.000 1.064 302 I HN 0.292 nan 8.210 nan 0.000 0.414 303 N N 1.309 119.982 118.700 -0.046 0.000 2.084 303 N HA -0.170 4.481 4.740 -0.148 0.000 0.190 303 N C 1.570 177.140 175.510 0.099 0.000 1.030 303 N CA 1.407 54.465 53.050 0.013 0.000 0.849 303 N CB -0.642 37.854 38.487 0.015 0.000 1.012 303 N HN 0.318 nan 8.380 nan 0.000 0.423 304 N N 0.157 118.944 118.700 0.146 0.000 2.166 304 N HA -0.064 4.587 4.740 -0.148 0.000 0.186 304 N C 1.644 177.227 175.510 0.123 0.000 1.019 304 N CA 1.088 54.254 53.050 0.194 0.000 0.856 304 N CB -0.791 37.782 38.487 0.142 0.000 0.993 304 N HN 0.261 nan 8.380 nan 0.000 0.426 305 T N 1.543 116.141 114.554 0.073 0.000 2.708 305 T HA 0.017 4.278 4.350 -0.148 0.000 0.266 305 T C 2.053 176.802 174.700 0.082 0.000 1.037 305 T CA 0.699 62.845 62.100 0.077 0.000 1.146 305 T CB -0.230 68.674 68.868 0.060 0.000 0.865 305 T HN 0.140 nan 8.240 nan 0.000 0.435 306 L N 0.703 121.923 121.223 -0.005 0.000 2.141 306 L HA -0.038 4.213 4.340 -0.148 0.000 0.209 306 L C 2.857 179.781 176.870 0.090 0.000 1.094 306 L CA 0.838 55.641 54.840 -0.062 0.000 0.763 306 L CB -0.545 41.423 42.059 -0.152 0.000 0.908 306 L HN 0.273 nan 8.230 nan 0.000 0.437 307 S N 0.268 116.045 115.700 0.127 0.000 2.355 307 S HA -0.103 4.278 4.470 -0.148 0.000 0.222 307 S C 2.010 176.727 174.600 0.195 0.000 1.031 307 S CA 1.034 59.344 58.200 0.183 0.000 0.993 307 S CB -0.134 63.240 63.200 0.290 0.000 0.859 307 S HN 0.280 nan 8.310 nan 0.000 0.453 308 L N 0.373 121.708 121.223 0.186 0.000 2.046 308 L HA 0.068 4.319 4.340 -0.148 0.000 0.208 308 L C 1.934 178.944 176.870 0.232 0.000 1.077 308 L CA 1.113 56.060 54.840 0.179 0.000 0.747 308 L CB -0.261 41.885 42.059 0.144 0.000 0.896 308 L HN 0.344 nan 8.230 nan 0.000 0.432 309 M N 0.005 119.784 119.600 0.298 0.000 2.738 309 M HA 0.056 4.447 4.480 -0.148 0.000 0.295 309 M C 1.344 177.941 176.300 0.494 0.000 1.266 309 M CA -0.014 55.559 55.300 0.455 0.000 0.985 309 M CB 0.306 33.223 32.600 0.528 0.000 1.365 309 M HN 0.140 nan 8.290 nan 0.000 0.492 310 K N -0.139 120.447 120.400 0.310 0.000 2.360 310 K HA -0.102 4.129 4.320 -0.148 0.000 0.201 310 K C 0.678 177.381 176.600 0.172 0.000 1.046 310 K CA 1.159 57.602 56.287 0.259 0.000 0.945 310 K CB -0.092 32.506 32.500 0.164 0.000 0.750 310 K HN 0.445 nan 8.250 nan 0.000 0.464 311 E N -0.151 120.072 120.200 0.038 0.000 2.476 311 E HA -0.042 4.219 4.350 -0.148 0.000 0.191 311 E C 0.145 176.516 176.600 -0.382 0.000 1.064 311 E CA 0.301 56.588 56.400 -0.187 0.000 0.866 311 E CB 0.100 29.612 29.700 -0.314 0.000 0.952 311 E HN 0.461 nan 8.360 nan 0.000 0.492 312 Y N -1.456 118.869 120.300 0.041 0.000 2.453 312 Y HA 0.238 4.783 4.550 -0.008 0.000 0.247 312 Y C 0.144 175.884 175.900 -0.266 0.000 1.124 312 Y CA -0.295 57.726 58.100 -0.132 0.000 1.243 312 Y CB 0.681 39.004 38.460 -0.229 0.000 1.213 312 Y HN -0.118 nan 8.280 nan 0.000 0.523 313 F N -0.069 119.982 119.950 0.168 0.000 2.522 313 F HA 0.479 4.931 4.527 -0.126 0.000 0.324 313 F C 0.542 176.392 175.800 0.082 0.000 1.077 313 F CA -1.486 56.599 58.000 0.143 0.000 0.944 313 F CB 1.413 40.515 39.000 0.169 0.000 1.175 313 F HN -0.282 nan 8.300 nan 0.000 0.468 314 S N 0.257 116.116 115.700 0.264 0.000 2.632 314 S HA 0.210 4.591 4.470 -0.148 0.000 0.271 314 S C 0.519 175.190 174.600 0.117 0.000 1.260 314 S CA -0.785 57.497 58.200 0.137 0.000 1.010 314 S CB 1.162 64.412 63.200 0.083 0.000 0.965 314 S HN 0.613 nan 8.310 nan 0.000 0.534 315 D N 0.845 121.281 120.400 0.060 0.000 2.182 315 D HA -0.144 4.407 4.640 -0.148 0.000 0.201 315 D C 1.613 177.908 176.300 -0.008 0.000 0.986 315 D CA 1.400 55.413 54.000 0.023 0.000 0.847 315 D CB -0.123 40.677 40.800 -0.000 0.000 0.942 315 D HN 0.868 nan 8.370 nan 0.000 0.467 316 E N 0.737 120.931 120.200 -0.011 0.000 2.072 316 E HA -0.165 4.097 4.350 -0.148 0.000 0.191 316 E C 1.737 178.277 176.600 -0.100 0.000 0.985 316 E CA 0.796 57.165 56.400 -0.051 0.000 0.801 316 E CB 0.199 29.873 29.700 -0.043 0.000 0.750 316 E HN 0.310 nan 8.360 nan 0.000 0.452 317 E N 0.315 120.480 120.200 -0.058 0.000 2.072 317 E HA -0.165 4.097 4.350 -0.148 0.000 0.191 317 E C 2.222 178.713 176.600 -0.180 0.000 0.985 317 E CA 0.962 57.269 56.400 -0.155 0.000 0.801 317 E CB -0.055 29.754 29.700 0.183 0.000 0.750 317 E HN 0.370 nan 8.360 nan 0.000 0.452 318 I N 1.334 121.895 120.570 -0.015 0.000 2.226 318 I HA -0.295 3.787 4.170 -0.148 0.000 0.245 318 I C 2.638 178.720 176.117 -0.060 0.000 1.100 318 I CA 1.202 62.488 61.300 -0.023 0.000 1.374 318 I CB -0.204 37.794 38.000 -0.003 0.000 1.057 318 I HN 0.034 nan 8.210 nan 0.000 0.413 319 K N 1.357 121.704 120.400 -0.087 0.000 2.097 319 K HA -0.224 4.008 4.320 -0.148 0.000 0.205 319 K C 2.280 178.810 176.600 -0.116 0.000 1.050 319 K CA 1.270 57.504 56.287 -0.090 0.000 0.938 319 K CB -0.025 32.422 32.500 -0.088 0.000 0.718 319 K HN 0.111 nan 8.250 nan 0.000 0.442 320 K N -0.041 120.228 120.400 -0.218 0.000 2.032 320 K HA -0.187 4.045 4.320 -0.148 0.000 0.209 320 K C 1.712 178.168 176.600 -0.241 0.000 1.048 320 K CA 1.576 57.676 56.287 -0.311 0.000 0.927 320 K CB -0.178 31.973 32.500 -0.583 0.000 0.712 320 K HN 0.183 nan 8.250 nan 0.000 0.441 321 Y N 0.746 120.999 120.300 -0.078 0.000 2.571 321 Y HA -0.061 4.394 4.550 -0.158 0.000 0.294 321 Y C 2.245 178.147 175.900 0.003 0.000 1.141 321 Y CA 1.351 59.434 58.100 -0.028 0.000 1.308 321 Y CB -0.289 38.117 38.460 -0.091 0.000 1.002 321 Y HN 0.288 nan 8.280 nan 0.000 0.551 322 T N -5.051 109.557 114.554 0.088 0.000 3.040 322 T HA 0.052 4.313 4.350 -0.148 0.000 0.250 322 T C 1.203 175.919 174.700 0.026 0.000 1.058 322 T CA 0.239 62.369 62.100 0.050 0.000 0.988 322 T CB 0.015 68.886 68.868 0.005 0.000 0.993 322 T HN -0.020 nan 8.240 nan 0.000 0.519 323 D N 1.699 122.105 120.400 0.010 0.000 2.149 323 D HA -0.090 4.461 4.640 -0.148 0.000 0.198 323 D C 2.170 178.448 176.300 -0.036 0.000 0.990 323 D CA 0.800 54.787 54.000 -0.022 0.000 0.839 323 D CB -0.476 40.307 40.800 -0.028 0.000 0.948 323 D HN 0.297 nan 8.370 nan 0.000 0.460 324 V N 0.777 120.676 119.914 -0.025 0.000 2.407 324 V HA -0.219 3.812 4.120 -0.148 0.000 0.248 324 V C 2.190 178.300 176.094 0.027 0.000 1.055 324 V CA 1.228 63.465 62.300 -0.104 0.000 1.049 324 V CB -0.316 31.348 31.823 -0.265 0.000 0.662 324 V HN 0.168 nan 8.190 nan 0.000 0.455 325 I N -0.059 120.572 120.570 0.101 0.000 2.286 325 I HA -0.159 3.922 4.170 -0.148 0.000 0.248 325 I C 2.581 178.765 176.117 0.111 0.000 1.115 325 I CA 1.559 62.957 61.300 0.164 0.000 1.392 325 I CB -0.473 37.588 38.000 0.102 0.000 1.065 325 I HN 0.336 nan 8.210 nan 0.000 0.418 326 E N 0.758 120.975 120.200 0.029 0.000 2.208 326 E HA -0.187 4.075 4.350 -0.148 0.000 0.193 326 E C 2.005 178.582 176.600 -0.038 0.000 0.988 326 E CA 0.689 57.086 56.400 -0.006 0.000 0.828 326 E CB -0.290 29.389 29.700 -0.034 0.000 0.763 326 E HN 0.347 nan 8.360 nan 0.000 0.478 327 K N 0.346 120.685 120.400 -0.101 0.000 2.057 327 K HA -0.074 4.157 4.320 -0.148 0.000 0.206 327 K C 1.780 178.232 176.600 -0.247 0.000 1.050 327 K CA 0.837 56.980 56.287 -0.241 0.000 0.935 327 K CB -0.155 32.093 32.500 -0.421 0.000 0.715 327 K HN 0.070 nan 8.250 nan 0.000 0.439 328 F N 0.284 120.248 119.950 0.022 0.000 2.473 328 F HA 0.033 4.470 4.527 -0.149 0.000 0.294 328 F C 1.046 176.906 175.800 0.099 0.000 1.103 328 F CA 0.307 58.358 58.000 0.086 0.000 1.442 328 F CB 0.489 39.594 39.000 0.174 0.000 1.097 328 F HN -0.291 nan 8.300 nan 0.000 0.547 329 V N 1.954 122.009 119.914 0.235 0.000 2.405 329 V HA 0.188 4.219 4.120 -0.148 0.000 0.253 329 V C -1.817 174.298 176.094 0.036 0.000 0.963 329 V CA -0.816 61.569 62.300 0.142 0.000 1.003 329 V CB 0.712 32.641 31.823 0.176 0.000 1.251 329 V HN -0.056 nan 8.190 nan 0.000 0.520 330 P HA 0.071 nan 4.420 nan 0.000 0.230 330 P C 0.159 177.432 177.300 -0.045 0.000 1.168 330 P CA 0.704 63.787 63.100 -0.029 0.000 0.793 330 P CB 0.789 32.464 31.700 -0.042 0.000 0.851 331 D N 1.226 121.592 120.400 -0.058 0.000 2.392 331 D HA 0.159 4.710 4.640 -0.148 0.000 0.228 331 D C -1.586 174.640 176.300 -0.123 0.000 1.074 331 D CA -2.766 51.197 54.000 -0.062 0.000 0.838 331 D CB 1.307 42.088 40.800 -0.031 0.000 1.067 331 D HN -0.034 nan 8.370 nan 0.000 0.511 332 P HA -0.061 nan 4.420 nan 0.000 0.239 332 P C 0.245 177.409 177.300 -0.227 0.000 1.184 332 P CA 0.754 63.750 63.100 -0.173 0.000 0.760 332 P CB 0.466 32.106 31.700 -0.100 0.000 0.884 333 E N -1.524 118.561 120.200 -0.192 0.000 2.473 333 E HA 0.060 4.321 4.350 -0.148 0.000 0.204 333 E C -0.143 176.086 176.600 -0.620 0.000 0.994 333 E CA 0.121 56.334 56.400 -0.312 0.000 0.945 333 E CB 0.177 29.747 29.700 -0.216 0.000 0.990 333 E HN 0.494 nan 8.360 nan 0.000 0.493 334 H N -1.524 117.324 119.070 -0.370 0.000 2.928 334 H HA 0.424 4.892 4.556 -0.148 0.000 0.371 334 H C -1.147 173.793 175.328 -0.646 0.000 1.186 334 H CA -0.618 55.166 56.048 -0.440 0.000 1.134 334 H CB 1.119 30.719 29.762 -0.270 0.000 1.824 334 H HN -0.157 nan 8.280 nan 0.000 0.554 335 F N -0.010 119.599 119.950 -0.569 0.000 2.594 335 F HA 0.461 4.898 4.527 -0.149 0.000 0.335 335 F C 0.743 176.213 175.800 -0.550 0.000 1.058 335 F CA -0.922 56.712 58.000 -0.611 0.000 0.981 335 F CB 1.268 39.651 39.000 -1.029 0.000 1.289 335 F HN 0.486 nan 8.300 nan 0.000 0.490 336 R N 0.322 120.809 120.500 -0.021 0.000 3.641 336 R HA -0.256 3.995 4.340 -0.148 0.000 0.286 336 R C 1.331 177.638 176.300 0.012 0.000 1.153 336 R CA 0.925 57.022 56.100 -0.005 0.000 0.775 336 R CB -1.103 29.111 30.300 -0.143 0.000 1.215 336 R HN 0.681 nan 8.270 nan 0.000 0.474 337 K N 0.926 121.344 120.400 0.031 0.000 2.209 337 K HA -0.099 4.132 4.320 -0.148 0.000 0.204 337 K C 1.727 178.334 176.600 0.011 0.000 1.048 337 K CA 1.864 58.146 56.287 -0.009 0.000 0.940 337 K CB 0.073 32.559 32.500 -0.023 0.000 0.729 337 K HN 0.410 nan 8.250 nan 0.000 0.451 338 T N -1.771 112.828 114.554 0.075 0.000 3.129 338 T HA 0.030 4.292 4.350 -0.148 0.000 0.251 338 T C 0.759 175.493 174.700 0.057 0.000 1.117 338 T CA 0.154 62.291 62.100 0.061 0.000 1.034 338 T CB -0.309 68.624 68.868 0.109 0.000 0.968 338 T HN 0.279 nan 8.240 nan 0.000 0.526 339 T N -1.431 113.155 114.554 0.052 0.000 2.893 339 T HA 0.398 4.660 4.350 -0.148 0.000 0.279 339 T C -0.011 174.696 174.700 0.012 0.000 0.991 339 T CA -0.779 61.344 62.100 0.039 0.000 0.950 339 T CB 1.233 70.129 68.868 0.047 0.000 1.223 339 T HN -0.100 nan 8.240 nan 0.000 0.585 340 D N 1.096 121.502 120.400 0.010 0.000 2.434 340 D HA 0.176 4.728 4.640 -0.148 0.000 0.232 340 D C -0.235 176.065 176.300 -0.001 0.000 1.166 340 D CA 0.130 54.130 54.000 0.000 0.000 0.830 340 D CB -0.533 40.268 40.800 0.002 0.000 0.960 340 D HN 0.725 nan 8.370 nan 0.000 0.497 341 N N -1.270 117.431 118.700 0.001 0.000 3.091 341 N HA 0.153 4.804 4.740 -0.148 0.000 0.185 341 N C -3.178 172.346 175.510 0.023 0.000 1.398 341 N CA -0.821 52.233 53.050 0.006 0.000 0.938 341 N CB 0.401 38.889 38.487 0.002 0.000 1.605 341 N HN -0.213 nan 8.380 nan 0.000 0.597 342 P HA 0.426 nan 4.420 nan 0.000 0.274 342 P C -0.870 176.504 177.300 0.124 0.000 1.260 342 P CA -0.234 62.867 63.100 0.002 0.000 0.793 342 P CB 0.346 32.013 31.700 -0.055 0.000 1.048 343 F N -2.577 117.381 119.950 0.014 0.000 2.631 343 F HA 0.573 5.012 4.527 -0.147 0.000 0.308 343 F C -0.681 175.154 175.800 0.060 0.000 1.097 343 F CA -1.616 56.396 58.000 0.021 0.000 0.952 343 F CB 1.308 40.258 39.000 -0.083 0.000 1.307 343 F HN 0.020 nan 8.300 nan 0.000 0.450 344 K N 2.492 123.018 120.400 0.211 0.000 2.379 344 K HA 0.637 4.868 4.320 -0.148 0.000 0.284 344 K C -0.331 176.312 176.600 0.073 0.000 1.044 344 K CA -0.200 56.018 56.287 -0.116 0.000 0.974 344 K CB 0.800 33.242 32.500 -0.098 0.000 0.962 344 K HN 0.966 nan 8.250 nan 0.000 0.474 345 A N 5.594 128.334 122.820 -0.134 0.000 2.362 345 A HA 0.474 4.705 4.320 -0.148 0.000 0.276 345 A C -0.635 177.001 177.584 0.087 0.000 1.153 345 A CA -0.390 51.701 52.037 0.090 0.000 0.813 345 A CB 0.084 19.006 19.000 -0.130 0.000 1.081 345 A HN 0.760 nan 8.150 nan 0.000 0.507 346 L N 1.413 122.745 121.223 0.182 0.000 2.502 346 L HA 0.682 4.934 4.340 -0.148 0.000 0.253 346 L C 1.208 178.151 176.870 0.122 0.000 1.070 346 L CA -0.315 54.580 54.840 0.092 0.000 0.871 346 L CB 1.539 43.617 42.059 0.030 0.000 1.487 346 L HN 1.151 nan 8.230 nan 0.000 0.408 347 G N 0.511 109.354 108.800 0.072 0.000 2.652 347 G HA2 -0.329 3.542 3.960 -0.148 0.000 0.318 347 G HA3 -0.329 3.542 3.960 -0.148 0.000 0.318 347 G C 0.891 175.877 174.900 0.144 0.000 1.295 347 G CA 0.720 45.888 45.100 0.113 0.000 0.999 347 G HN 1.108 nan 8.290 nan 0.000 0.548 348 G N -0.229 108.684 108.800 0.188 0.000 2.476 348 G HA2 -0.260 3.611 3.960 -0.148 0.000 0.218 348 G HA3 -0.260 3.611 3.960 -0.148 0.000 0.218 348 G C 1.604 176.660 174.900 0.260 0.000 1.164 348 G CA 1.631 46.843 45.100 0.188 0.000 0.768 348 G HN 0.831 nan 8.290 nan 0.000 0.560 349 N N -0.174 118.739 118.700 0.356 0.000 2.166 349 N HA -0.097 4.554 4.740 -0.148 0.000 0.186 349 N C 2.021 177.850 175.510 0.532 0.000 1.019 349 N CA 0.749 54.079 53.050 0.466 0.000 0.856 349 N CB -0.131 38.713 38.487 0.595 0.000 0.993 349 N HN 0.243 nan 8.380 nan 0.000 0.426 350 L N 0.777 122.217 121.223 0.363 0.000 2.141 350 L HA -0.045 4.206 4.340 -0.148 0.000 0.209 350 L C 1.835 178.811 176.870 0.176 0.000 1.094 350 L CA 1.205 56.184 54.840 0.231 0.000 0.763 350 L CB -0.266 41.862 42.059 0.114 0.000 0.908 350 L HN -0.042 nan 8.230 nan 0.000 0.437 351 V N -0.447 119.567 119.914 0.166 0.000 2.358 351 V HA -0.227 3.805 4.120 -0.148 0.000 0.246 351 V C 2.189 178.377 176.094 0.157 0.000 1.047 351 V CA 1.823 64.201 62.300 0.129 0.000 1.035 351 V CB -0.660 31.229 31.823 0.110 0.000 0.658 351 V HN 0.420 nan 8.190 nan 0.000 0.452 352 D N -0.581 119.946 120.400 0.210 0.000 2.219 352 D HA -0.163 4.388 4.640 -0.148 0.000 0.205 352 D C 1.984 178.423 176.300 0.232 0.000 0.970 352 D CA 1.063 55.182 54.000 0.199 0.000 0.851 352 D CB -0.090 40.826 40.800 0.193 0.000 0.943 352 D HN 0.367 nan 8.370 nan 0.000 0.488 353 M N 0.311 120.109 119.600 0.329 0.000 2.213 353 M HA -0.039 4.353 4.480 -0.148 0.000 0.263 353 M C 1.853 178.200 176.300 0.078 0.000 1.062 353 M CA 1.651 57.090 55.300 0.233 0.000 1.105 353 M CB -0.545 32.066 32.600 0.020 0.000 1.385 353 M HN -0.041 nan 8.290 nan 0.000 0.417 354 G N -0.434 108.406 108.800 0.066 0.000 2.394 354 G HA2 -0.154 3.717 3.960 -0.148 0.000 0.215 354 G HA3 -0.154 3.717 3.960 -0.148 0.000 0.215 354 G C 1.680 176.559 174.900 -0.035 0.000 1.165 354 G CA 0.370 45.476 45.100 0.010 0.000 0.784 354 G HN 0.481 nan 8.290 nan 0.000 0.535 355 R N -0.205 120.301 120.500 0.010 0.000 2.237 355 R HA 0.061 4.312 4.340 -0.148 0.000 0.219 355 R C 2.257 178.529 176.300 -0.046 0.000 1.080 355 R CA 0.489 56.576 56.100 -0.022 0.000 0.995 355 R CB -0.080 30.297 30.300 0.127 0.000 0.875 355 R HN 0.346 nan 8.270 nan 0.000 0.462 356 V N 0.561 120.469 119.914 -0.010 0.000 2.403 356 V HA -0.109 3.923 4.120 -0.148 0.000 0.239 356 V C 1.861 177.933 176.094 -0.036 0.000 1.041 356 V CA 1.373 63.667 62.300 -0.009 0.000 1.051 356 V CB -0.099 31.756 31.823 0.054 0.000 0.704 356 V HN 0.177 nan 8.190 nan 0.000 0.472 357 K N -0.253 120.128 120.400 -0.032 0.000 2.243 357 K HA 0.039 4.270 4.320 -0.148 0.000 0.201 357 K C 1.951 178.506 176.600 -0.075 0.000 1.051 357 K CA 0.627 56.885 56.287 -0.047 0.000 0.970 357 K CB 0.058 32.533 32.500 -0.042 0.000 0.755 357 K HN 0.253 nan 8.250 nan 0.000 0.465 358 V N 1.874 121.727 119.914 -0.102 0.000 2.379 358 V HA -0.210 3.822 4.120 -0.148 0.000 0.245 358 V C 2.125 178.111 176.094 -0.180 0.000 1.044 358 V CA 1.311 63.536 62.300 -0.125 0.000 1.036 358 V CB -0.281 31.454 31.823 -0.146 0.000 0.664 358 V HN 0.234 nan 8.190 nan 0.000 0.453 359 I N 0.786 121.192 120.570 -0.273 0.000 2.286 359 I HA -0.132 3.949 4.170 -0.148 0.000 0.245 359 I C 2.705 178.723 176.117 -0.165 0.000 1.104 359 I CA 1.806 62.911 61.300 -0.325 0.000 1.397 359 I CB -1.744 35.976 38.000 -0.466 0.000 1.072 359 I HN 0.291 nan 8.210 nan 0.000 0.417 360 A N 1.139 123.889 122.820 -0.117 0.000 1.972 360 A HA -0.071 4.161 4.320 -0.148 0.000 0.219 360 A C 2.500 180.037 177.584 -0.078 0.000 1.169 360 A CA 1.744 53.736 52.037 -0.075 0.000 0.635 360 A CB -1.258 17.712 19.000 -0.050 0.000 0.810 360 A HN 0.432 nan 8.150 nan 0.000 0.446 361 G N -0.156 108.598 108.800 -0.077 0.000 2.418 361 G HA2 -0.140 3.731 3.960 -0.148 0.000 0.217 361 G HA3 -0.140 3.731 3.960 -0.148 0.000 0.217 361 G C 1.544 176.402 174.900 -0.070 0.000 1.158 361 G CA 1.009 46.070 45.100 -0.065 0.000 0.771 361 G HN 0.436 nan 8.290 nan 0.000 0.545 362 L N -0.147 121.053 121.223 -0.039 0.000 2.056 362 L HA 0.033 4.284 4.340 -0.148 0.000 0.207 362 L C 2.895 179.731 176.870 -0.056 0.000 1.078 362 L CA 0.484 55.343 54.840 0.033 0.000 0.749 362 L CB -0.370 41.712 42.059 0.040 0.000 0.901 362 L HN 0.169 nan 8.230 nan 0.000 0.433 363 L N -0.506 120.677 121.223 -0.066 0.000 2.046 363 L HA -0.190 4.061 4.340 -0.148 0.000 0.208 363 L C 2.400 179.200 176.870 -0.117 0.000 1.077 363 L CA 1.340 56.142 54.840 -0.063 0.000 0.747 363 L CB -0.332 41.699 42.059 -0.046 0.000 0.896 363 L HN 0.208 nan 8.230 nan 0.000 0.432 364 R N -0.011 120.402 120.500 -0.145 0.000 2.310 364 R HA 0.050 4.301 4.340 -0.148 0.000 0.202 364 R C 0.081 176.210 176.300 -0.284 0.000 0.933 364 R CA -0.090 55.910 56.100 -0.167 0.000 1.054 364 R CB 0.110 30.339 30.300 -0.119 0.000 0.985 364 R HN 0.142 nan 8.270 nan 0.000 0.489 365 K N 1.437 121.540 120.400 -0.494 0.000 3.077 365 K HA -0.181 4.050 4.320 -0.148 0.000 0.264 365 K C -0.695 175.575 176.600 -0.550 0.000 1.008 365 K CA 0.789 56.433 56.287 -1.071 0.000 0.740 365 K CB -1.032 30.887 32.500 -0.968 0.000 1.273 365 K HN 0.191 nan 8.250 nan 0.000 0.477 366 D N 0.893 121.131 120.400 -0.269 0.000 2.443 366 D HA 0.100 4.651 4.640 -0.148 0.000 0.221 366 D C 0.542 176.843 176.300 0.003 0.000 1.097 366 D CA -0.375 53.565 54.000 -0.101 0.000 0.865 366 D CB 0.873 41.623 40.800 -0.084 0.000 1.034 366 D HN 0.010 nan 8.370 nan 0.000 0.511 367 D N 1.844 122.284 120.400 0.066 0.000 2.144 367 D HA -0.179 4.372 4.640 -0.148 0.000 0.199 367 D C 1.575 177.901 176.300 0.044 0.000 0.984 367 D CA 0.793 54.854 54.000 0.101 0.000 0.834 367 D CB 0.265 41.128 40.800 0.104 0.000 0.955 367 D HN 0.491 nan 8.370 nan 0.000 0.465 368 Q N 0.841 120.653 119.800 0.019 0.000 2.124 368 Q HA -0.181 4.070 4.340 -0.148 0.000 0.202 368 Q C 1.956 177.954 176.000 -0.003 0.000 0.977 368 Q CA 1.286 57.092 55.803 0.005 0.000 0.850 368 Q CB -0.037 28.698 28.738 -0.005 0.000 0.901 368 Q HN 0.453 nan 8.270 nan 0.000 0.429 369 E N -0.246 119.947 120.200 -0.010 0.000 2.072 369 E HA -0.141 4.120 4.350 -0.148 0.000 0.191 369 E C 2.154 178.745 176.600 -0.015 0.000 0.985 369 E CA 0.975 57.362 56.400 -0.020 0.000 0.801 369 E CB -0.104 29.577 29.700 -0.033 0.000 0.750 369 E HN 0.401 nan 8.360 nan 0.000 0.452 370 I N 1.070 121.641 120.570 0.001 0.000 2.142 370 I HA -0.280 3.802 4.170 -0.148 0.000 0.240 370 I C 2.758 178.879 176.117 0.007 0.000 1.078 370 I CA 1.383 62.688 61.300 0.007 0.000 1.343 370 I CB -0.459 37.565 38.000 0.041 0.000 1.046 370 I HN 0.226 nan 8.210 nan 0.000 0.405 371 S N 0.719 116.427 115.700 0.013 0.000 2.356 371 S HA -0.200 4.181 4.470 -0.148 0.000 0.223 371 S C 2.185 176.789 174.600 0.007 0.000 1.032 371 S CA 1.390 59.597 58.200 0.012 0.000 1.005 371 S CB -0.976 62.232 63.200 0.013 0.000 0.867 371 S HN 0.551 nan 8.310 nan 0.000 0.449 372 S N 1.387 117.087 115.700 -0.001 0.000 2.399 372 S HA -0.110 4.271 4.470 -0.148 0.000 0.231 372 S C 1.870 176.463 174.600 -0.013 0.000 1.022 372 S CA 1.516 59.712 58.200 -0.007 0.000 0.983 372 S CB -1.490 61.701 63.200 -0.014 0.000 0.803 372 S HN 0.599 nan 8.310 nan 0.000 0.480 373 T N 2.608 117.152 114.554 -0.017 0.000 2.812 373 T HA 0.216 4.478 4.350 -0.148 0.000 0.264 373 T C 1.739 176.437 174.700 -0.004 0.000 1.042 373 T CA 1.228 63.313 62.100 -0.024 0.000 1.140 373 T CB -0.404 68.445 68.868 -0.032 0.000 0.870 373 T HN 0.387 nan 8.240 nan 0.000 0.445 374 I N 0.917 121.494 120.570 0.010 0.000 2.226 374 I HA -0.179 3.902 4.170 -0.148 0.000 0.245 374 I C 2.784 178.932 176.117 0.051 0.000 1.100 374 I CA 1.133 62.455 61.300 0.037 0.000 1.374 374 I CB -0.303 37.720 38.000 0.038 0.000 1.057 374 I HN 0.093 nan 8.210 nan 0.000 0.413 375 R N 0.920 121.440 120.500 0.034 0.000 2.083 375 R HA -0.204 4.048 4.340 -0.148 0.000 0.237 375 R C 2.509 178.830 176.300 0.036 0.000 1.137 375 R CA 2.197 58.319 56.100 0.037 0.000 0.951 375 R CB -0.714 29.598 30.300 0.019 0.000 0.851 375 R HN 0.214 nan 8.270 nan 0.000 0.434 376 S N -0.455 115.251 115.700 0.010 0.000 2.368 376 S HA -0.061 4.320 4.470 -0.148 0.000 0.225 376 S C 1.893 176.496 174.600 0.005 0.000 1.030 376 S CA 1.222 59.415 58.200 -0.011 0.000 0.999 376 S CB -0.268 62.902 63.200 -0.050 0.000 0.844 376 S HN 0.329 nan 8.310 nan 0.000 0.459 377 I N 2.094 122.677 120.570 0.022 0.000 2.208 377 I HA -0.160 3.921 4.170 -0.148 0.000 0.245 377 I C 2.225 178.365 176.117 0.038 0.000 1.097 377 I CA 1.486 62.803 61.300 0.028 0.000 1.363 377 I CB -1.544 36.488 38.000 0.053 0.000 1.051 377 I HN 0.497 nan 8.210 nan 0.000 0.413 378 E N 0.413 120.696 120.200 0.139 0.000 2.333 378 E HA -0.257 4.004 4.350 -0.148 0.000 0.200 378 E C 1.963 178.698 176.600 0.226 0.000 1.010 378 E CA 0.679 57.258 56.400 0.299 0.000 0.841 378 E CB -0.201 29.661 29.700 0.271 0.000 0.757 378 E HN 0.640 nan 8.360 nan 0.000 0.508 379 Q N 0.266 120.123 119.800 0.095 0.000 2.226 379 Q HA -0.106 4.146 4.340 -0.148 0.000 0.204 379 Q C 2.294 178.338 176.000 0.074 0.000 0.975 379 Q CA 0.785 56.635 55.803 0.078 0.000 0.866 379 Q CB -0.090 28.666 28.738 0.029 0.000 0.915 379 Q HN 0.162 nan 8.270 nan 0.000 0.440 380 V N 0.181 120.081 119.914 -0.024 0.000 2.867 380 V HA -0.193 3.838 4.120 -0.148 0.000 0.260 380 V C 1.034 177.212 176.094 0.141 0.000 1.099 380 V CA 1.374 63.653 62.300 -0.035 0.000 1.122 380 V CB -0.346 31.370 31.823 -0.178 0.000 0.708 380 V HN 0.275 nan 8.190 nan 0.000 0.490 381 F N 0.325 120.495 119.950 0.366 0.000 2.789 381 F HA 0.275 4.713 4.527 -0.149 0.000 0.300 381 F C 1.333 177.285 175.800 0.253 0.000 1.132 381 F CA -0.051 58.153 58.000 0.340 0.000 1.404 381 F CB -0.199 38.867 39.000 0.109 0.000 1.114 381 F HN 0.038 nan 8.300 nan 0.000 0.584 382 K N 1.194 121.797 120.400 0.338 0.000 2.218 382 K HA 0.299 4.530 4.320 -0.148 0.000 0.276 382 K C -0.585 176.137 176.600 0.202 0.000 1.022 382 K CA -0.832 55.584 56.287 0.215 0.000 0.946 382 K CB 1.366 33.944 32.500 0.131 0.000 1.000 382 K HN -0.083 nan 8.250 nan 0.000 0.468 383 L N 4.179 125.484 121.223 0.137 0.000 2.331 383 L HA 0.163 4.414 4.340 -0.148 0.000 0.278 383 L C -0.521 176.338 176.870 -0.018 0.000 1.106 383 L CA -0.170 54.727 54.840 0.096 0.000 0.824 383 L CB 1.054 43.153 42.059 0.066 0.000 1.142 383 L HN 0.443 nan 8.230 nan 0.000 0.443 384 V N 1.484 121.302 119.914 -0.161 0.000 2.994 384 V HA 0.716 4.747 4.120 -0.148 0.000 0.318 384 V C -0.273 175.537 176.094 -0.473 0.000 1.085 384 V CA -0.152 61.964 62.300 -0.306 0.000 0.998 384 V CB 1.855 33.438 31.823 -0.401 0.000 1.063 384 V HN 0.865 nan 8.190 nan 0.000 0.447 385 D N -0.416 119.813 120.400 -0.284 0.000 2.503 385 D HA 0.318 4.869 4.640 -0.148 0.000 0.218 385 D C 0.195 176.554 176.300 0.098 0.000 1.183 385 D CA -0.024 53.932 54.000 -0.073 0.000 0.827 385 D CB 0.427 41.248 40.800 0.034 0.000 1.034 385 D HN 0.738 nan 8.370 nan 0.000 0.510 386 Q N -0.290 119.491 119.800 -0.032 0.000 2.594 386 Q HA 0.431 4.683 4.340 -0.148 0.000 0.278 386 Q C -0.171 175.855 176.000 0.043 0.000 0.961 386 Q CA -0.211 55.666 55.803 0.123 0.000 0.844 386 Q CB 1.416 30.197 28.738 0.072 0.000 1.475 386 Q HN 0.248 nan 8.270 nan 0.000 0.389 387 G N 1.678 110.540 108.800 0.103 0.000 2.593 387 G HA2 -0.239 3.632 3.960 -0.148 0.000 0.237 387 G HA3 -0.239 3.632 3.960 -0.148 0.000 0.237 387 G C -0.995 173.904 174.900 -0.001 0.000 1.312 387 G CA 0.027 45.142 45.100 0.025 0.000 0.896 387 G HN 0.652 nan 8.290 nan 0.000 0.574 388 E N 0.545 120.689 120.200 -0.094 0.000 2.343 388 E HA 0.540 4.801 4.350 -0.148 0.000 0.269 388 E C 0.670 177.092 176.600 -0.296 0.000 1.047 388 E CA 0.167 56.440 56.400 -0.212 0.000 0.874 388 E CB 1.306 30.884 29.700 -0.204 0.000 1.033 388 E HN 1.979 nan 8.360 nan 0.000 0.409 389 G N 1.110 109.580 108.800 -0.551 0.000 2.316 389 G HA2 -0.066 3.806 3.960 -0.148 0.000 0.349 389 G HA3 -0.066 3.806 3.960 -0.148 0.000 0.349 389 G C -1.459 173.125 174.900 -0.526 0.000 1.274 389 G CA -1.151 43.635 45.100 -0.523 0.000 1.018 389 G HN 0.286 nan 8.290 nan 0.000 0.486 390 F N 0.373 120.285 119.950 -0.063 0.000 2.385 390 F HA 0.745 5.184 4.527 -0.148 0.000 0.336 390 F C 0.371 176.187 175.800 0.027 0.000 1.100 390 F CA -0.190 57.868 58.000 0.097 0.000 1.116 390 F CB 1.204 40.296 39.000 0.152 0.000 1.166 390 F HN 0.419 nan 8.300 nan 0.000 0.511 391 Y N 0.893 121.358 120.300 0.275 0.000 2.534 391 Y HA 0.176 4.637 4.550 -0.148 0.000 0.329 391 Y C 1.437 177.485 175.900 0.246 0.000 1.154 391 Y CA -0.974 57.244 58.100 0.197 0.000 1.192 391 Y CB 1.094 39.630 38.460 0.126 0.000 1.275 391 Y HN 0.593 nan 8.280 nan 0.000 0.491 392 Q N 0.189 120.184 119.800 0.324 0.000 2.226 392 Q HA -0.171 4.081 4.340 -0.148 0.000 0.204 392 Q C 0.299 176.478 176.000 0.297 0.000 0.975 392 Q CA 1.972 57.932 55.803 0.263 0.000 0.866 392 Q CB -0.336 28.504 28.738 0.170 0.000 0.915 392 Q HN 0.827 nan 8.270 nan 0.000 0.440 393 D N -0.474 120.102 120.400 0.292 0.000 2.328 393 D HA 0.112 4.663 4.640 -0.148 0.000 0.226 393 D C 1.160 177.668 176.300 0.347 0.000 1.066 393 D CA 0.759 54.899 54.000 0.233 0.000 0.861 393 D CB 0.241 41.122 40.800 0.134 0.000 0.912 393 D HN 0.463 nan 8.370 nan 0.000 0.521 394 G N -0.428 108.627 108.800 0.424 0.000 2.213 394 G HA2 -0.269 3.602 3.960 -0.148 0.000 0.236 394 G HA3 -0.269 3.602 3.960 -0.148 0.000 0.236 394 G C 0.431 175.525 174.900 0.323 0.000 0.991 394 G CA 0.159 45.536 45.100 0.461 0.000 0.629 394 G HN 0.429 nan 8.290 nan 0.000 0.517 395 S N -0.242 115.643 115.700 0.308 0.000 2.573 395 S HA 0.481 4.862 4.470 -0.148 0.000 0.277 395 S C -0.430 174.248 174.600 0.130 0.000 1.346 395 S CA 0.347 58.567 58.200 0.035 0.000 1.034 395 S CB 1.220 64.383 63.200 -0.063 0.000 0.879 395 S HN 0.831 nan 8.310 nan 0.000 0.528 396 Y N 2.218 122.403 120.300 -0.192 0.000 2.354 396 Y HA 0.534 4.996 4.550 -0.148 0.000 0.330 396 Y C -1.243 174.536 175.900 -0.201 0.000 1.011 396 Y CA -0.862 57.060 58.100 -0.296 0.000 1.099 396 Y CB 0.564 38.672 38.460 -0.587 0.000 1.179 396 Y HN 0.433 nan 8.280 nan 0.000 0.442 397 I N 5.698 125.852 120.570 -0.692 0.000 2.493 397 I HA 0.422 4.504 4.170 -0.148 0.000 0.298 397 I C -0.597 175.140 176.117 -0.632 0.000 0.998 397 I CA -0.420 60.618 61.300 -0.435 0.000 1.137 397 I CB 1.832 39.734 38.000 -0.164 0.000 1.310 397 I HN 0.709 nan 8.210 nan 0.000 0.445 398 D N 2.753 122.979 120.400 -0.289 0.000 2.596 398 D HA 0.295 4.847 4.640 -0.148 0.000 0.262 398 D C -0.498 175.741 176.300 -0.103 0.000 1.210 398 D CA -0.262 53.560 54.000 -0.296 0.000 0.873 398 D CB 1.586 42.130 40.800 -0.427 0.000 1.408 398 D HN 0.655 nan 8.370 nan 0.000 0.441 399 H N 0.746 119.638 119.070 -0.295 0.000 2.677 399 H HA -0.217 4.251 4.556 -0.148 0.000 0.321 399 H C 0.515 175.755 175.328 -0.147 0.000 1.171 399 H CA 0.537 56.448 56.048 -0.229 0.000 1.139 399 H CB -1.067 28.609 29.762 -0.143 0.000 1.515 399 H HN 0.560 nan 8.280 nan 0.000 0.423 400 T N -1.062 113.464 114.554 -0.046 0.000 12.724 400 T HA -0.348 3.913 4.350 -0.148 0.000 0.418 400 T C 0.907 175.592 174.700 -0.026 0.000 1.446 400 T CA 2.131 64.204 62.100 -0.046 0.000 2.382 400 T CB -0.890 67.947 68.868 -0.052 0.000 2.829 400 T HN 0.785 nan 8.240 nan 0.000 0.744 401 N N 0.308 119.001 118.700 -0.013 0.000 2.498 401 N HA 0.398 5.049 4.740 -0.148 0.000 0.272 401 N C -1.125 174.374 175.510 -0.018 0.000 1.534 401 N CA -0.206 52.836 53.050 -0.013 0.000 0.873 401 N CB -0.069 38.422 38.487 0.007 0.000 1.415 401 N HN 0.477 nan 8.380 nan 0.000 0.496 402 V N 0.504 120.406 119.914 -0.022 0.000 2.513 402 V HA 0.810 4.842 4.120 -0.148 0.000 0.299 402 V C 0.498 176.530 176.094 -0.104 0.000 1.035 402 V CA -1.190 61.068 62.300 -0.070 0.000 0.889 402 V CB 1.471 33.252 31.823 -0.069 0.000 0.988 402 V HN 0.449 nan 8.190 nan 0.000 0.440 403 A N 3.697 126.423 122.820 -0.156 0.000 2.491 403 A HA 0.439 4.670 4.320 -0.148 0.000 0.261 403 A C -0.414 177.073 177.584 -0.162 0.000 1.101 403 A CA 0.456 52.410 52.037 -0.139 0.000 0.772 403 A CB -0.426 18.492 19.000 -0.135 0.000 1.043 403 A HN 0.827 nan 8.150 nan 0.000 0.501 404 Y N 1.827 122.125 120.300 -0.003 0.000 2.777 404 Y HA 0.118 4.580 4.550 -0.147 0.000 0.248 404 Y C 1.817 177.769 175.900 0.086 0.000 1.127 404 Y CA -0.009 58.139 58.100 0.080 0.000 1.149 404 Y CB -0.039 38.505 38.460 0.139 0.000 1.230 404 Y HN 0.734 nan 8.280 nan 0.000 0.586 405 T N -1.517 113.099 114.554 0.103 0.000 2.699 405 T HA -0.192 4.069 4.350 -0.148 0.000 0.268 405 T C 2.072 176.696 174.700 -0.125 0.000 1.036 405 T CA 1.832 63.797 62.100 -0.224 0.000 1.147 405 T CB -0.316 68.320 68.868 -0.388 0.000 0.862 405 T HN 0.573 nan 8.240 nan 0.000 0.446 406 G N -0.390 108.397 108.800 -0.022 0.000 3.124 406 G HA2 0.416 4.288 3.960 -0.148 0.000 0.212 406 G HA3 0.416 4.288 3.960 -0.148 0.000 0.212 406 G C 0.891 175.798 174.900 0.012 0.000 1.181 406 G CA 0.641 45.748 45.100 0.011 0.000 0.803 406 G HN 0.609 nan 8.290 nan 0.000 0.529 407 A N -0.599 122.235 122.820 0.022 0.000 1.808 407 A HA 0.402 4.633 4.320 -0.148 0.000 0.190 407 A C 1.563 178.928 177.584 -0.366 0.000 1.822 407 A CA 0.077 52.021 52.037 -0.154 0.000 1.090 407 A CB -0.331 18.623 19.000 -0.077 0.000 1.004 407 A HN 0.095 nan 8.150 nan 0.000 0.602 408 Y N 1.290 121.395 120.300 -0.326 0.000 2.314 408 Y HA 0.059 4.520 4.550 -0.148 0.000 0.293 408 Y C 2.639 178.336 175.900 -0.339 0.000 1.129 408 Y CA 1.221 59.126 58.100 -0.324 0.000 1.201 408 Y CB -0.287 37.963 38.460 -0.349 0.000 0.999 408 Y HN 0.403 nan 8.280 nan 0.000 0.541 409 G N -0.068 108.499 108.800 -0.390 0.000 2.408 409 G HA2 -0.265 3.606 3.960 -0.148 0.000 0.217 409 G HA3 -0.265 3.606 3.960 -0.148 0.000 0.217 409 G C 1.467 176.357 174.900 -0.015 0.000 1.150 409 G CA 1.102 45.875 45.100 -0.545 0.000 0.776 409 G HN 0.305 nan 8.290 nan 0.000 0.542 410 N N 0.488 119.176 118.700 -0.020 0.000 2.043 410 N HA -0.116 4.535 4.740 -0.148 0.000 0.193 410 N C 2.306 177.759 175.510 -0.095 0.000 1.037 410 N CA 1.297 54.310 53.050 -0.062 0.000 0.851 410 N CB -0.701 37.730 38.487 -0.093 0.000 1.027 410 N HN 0.170 nan 8.380 nan 0.000 0.422 411 V N 1.382 121.227 119.914 -0.114 0.000 2.332 411 V HA -0.197 3.834 4.120 -0.148 0.000 0.248 411 V C 2.314 178.402 176.094 -0.010 0.000 1.055 411 V CA 1.236 63.498 62.300 -0.064 0.000 1.038 411 V CB -0.642 31.138 31.823 -0.071 0.000 0.651 411 V HN 0.307 nan 8.190 nan 0.000 0.450 412 L N -0.601 120.608 121.223 -0.024 0.000 1.989 412 L HA -0.203 4.049 4.340 -0.148 0.000 0.211 412 L C 2.321 179.211 176.870 0.034 0.000 1.071 412 L CA 2.090 56.929 54.840 -0.001 0.000 0.749 412 L CB -0.178 41.830 42.059 -0.086 0.000 0.890 412 L HN 0.277 nan 8.230 nan 0.000 0.431 413 I N -0.732 119.841 120.570 0.004 0.000 2.439 413 I HA -0.260 3.821 4.170 -0.148 0.000 0.251 413 I C 1.975 178.083 176.117 -0.015 0.000 1.139 413 I CA 1.467 62.767 61.300 0.001 0.000 1.438 413 I CB -0.048 37.813 38.000 -0.232 0.000 1.085 413 I HN 0.404 nan 8.210 nan 0.000 0.427 414 D N 0.420 120.793 120.400 -0.045 0.000 2.097 414 D HA -0.132 4.420 4.640 -0.148 0.000 0.197 414 D C 2.092 178.412 176.300 0.034 0.000 0.984 414 D CA 1.684 55.669 54.000 -0.026 0.000 0.826 414 D CB -0.300 40.471 40.800 -0.047 0.000 0.973 414 D HN 0.362 nan 8.370 nan 0.000 0.460 415 G N 0.155 108.992 108.800 0.061 0.000 2.394 415 G HA2 -0.175 3.697 3.960 -0.148 0.000 0.215 415 G HA3 -0.175 3.697 3.960 -0.148 0.000 0.215 415 G C 1.550 176.539 174.900 0.149 0.000 1.165 415 G CA 0.699 45.870 45.100 0.118 0.000 0.784 415 G HN 0.336 nan 8.290 nan 0.000 0.535 416 L N 2.037 123.340 121.223 0.134 0.000 2.083 416 L HA -0.034 4.218 4.340 -0.148 0.000 0.209 416 L C 3.071 180.040 176.870 0.166 0.000 1.083 416 L CA 2.399 57.336 54.840 0.161 0.000 0.752 416 L CB -0.565 41.609 42.059 0.192 0.000 0.899 416 L HN 0.333 nan 8.230 nan 0.000 0.433 417 S N -1.898 113.883 115.700 0.134 0.000 2.447 417 S HA -0.212 4.169 4.470 -0.148 0.000 0.233 417 S C 1.857 176.529 174.600 0.120 0.000 1.006 417 S CA 1.057 59.323 58.200 0.111 0.000 0.957 417 S CB -0.500 62.739 63.200 0.066 0.000 0.773 417 S HN 0.655 nan 8.310 nan 0.000 0.507 418 Q N 0.387 120.277 119.800 0.150 0.000 2.137 418 Q HA 0.216 4.467 4.340 -0.148 0.000 0.198 418 Q C 2.183 178.421 176.000 0.396 0.000 0.960 418 Q CA 0.975 56.895 55.803 0.196 0.000 0.847 418 Q CB -0.199 28.640 28.738 0.168 0.000 0.915 418 Q HN 0.548 nan 8.270 nan 0.000 0.448 419 L N 0.288 121.728 121.223 0.361 0.000 2.095 419 L HA -0.141 4.110 4.340 -0.148 0.000 0.204 419 L C 2.242 179.229 176.870 0.195 0.000 1.080 419 L CA 0.539 55.548 54.840 0.281 0.000 0.759 419 L CB -0.325 41.824 42.059 0.150 0.000 0.914 419 L HN 0.252 nan 8.230 nan 0.000 0.439 420 L N 0.005 121.332 121.223 0.173 0.000 2.010 420 L HA -0.254 3.997 4.340 -0.148 0.000 0.219 420 L C -0.147 176.793 176.870 0.117 0.000 1.077 420 L CA 1.964 56.886 54.840 0.137 0.000 0.773 420 L CB -1.915 40.219 42.059 0.125 0.000 0.892 420 L HN 0.232 nan 8.230 nan 0.000 0.436 421 P HA -0.150 nan 4.420 nan 0.000 0.216 421 P C 1.862 179.233 177.300 0.117 0.000 1.150 421 P CA 1.223 64.392 63.100 0.116 0.000 0.843 421 P CB 0.082 31.859 31.700 0.128 0.000 0.787 422 V N -0.610 119.394 119.914 0.149 0.000 2.283 422 V HA -0.192 3.839 4.120 -0.148 0.000 0.243 422 V C 2.345 178.476 176.094 0.063 0.000 1.039 422 V CA 1.479 63.849 62.300 0.116 0.000 1.016 422 V CB -1.032 30.864 31.823 0.122 0.000 0.650 422 V HN 0.037 nan 8.190 nan 0.000 0.449 423 I N 0.027 120.633 120.570 0.059 0.000 2.208 423 I HA -0.265 3.816 4.170 -0.148 0.000 0.245 423 I C 2.511 178.651 176.117 0.039 0.000 1.097 423 I CA 1.288 62.614 61.300 0.043 0.000 1.363 423 I CB -0.396 37.642 38.000 0.062 0.000 1.051 423 I HN 0.342 nan 8.210 nan 0.000 0.413 424 Q N 0.627 120.454 119.800 0.046 0.000 2.500 424 Q HA -0.108 4.144 4.340 -0.148 0.000 0.213 424 Q C 1.519 177.532 176.000 0.022 0.000 0.974 424 Q CA 1.066 56.887 55.803 0.030 0.000 0.918 424 Q CB -0.153 28.604 28.738 0.032 0.000 0.980 424 Q HN 0.515 nan 8.270 nan 0.000 0.505 425 K N 0.245 120.661 120.400 0.026 0.000 2.358 425 K HA 0.069 4.300 4.320 -0.148 0.000 0.200 425 K C 0.650 177.248 176.600 -0.003 0.000 1.030 425 K CA 0.080 56.376 56.287 0.015 0.000 1.097 425 K CB 0.776 33.292 32.500 0.027 0.000 0.862 425 K HN 0.209 nan 8.250 nan 0.000 0.534 426 T N -1.718 112.835 114.554 -0.002 0.000 2.814 426 T HA 0.202 4.464 4.350 -0.148 0.000 0.284 426 T C 0.837 175.525 174.700 -0.020 0.000 0.998 426 T CA -0.614 61.475 62.100 -0.018 0.000 0.935 426 T CB 1.013 69.877 68.868 -0.005 0.000 1.167 426 T HN -0.110 nan 8.240 nan 0.000 0.545 427 K N 0.205 120.589 120.400 -0.026 0.000 2.505 427 K HA 0.143 4.374 4.320 -0.148 0.000 0.192 427 K C 0.150 176.746 176.600 -0.008 0.000 1.025 427 K CA 0.274 56.548 56.287 -0.021 0.000 1.086 427 K CB -0.267 32.216 32.500 -0.028 0.000 0.840 427 K HN 0.545 nan 8.250 nan 0.000 0.514 428 N N 1.372 120.071 118.700 -0.001 0.000 2.610 428 N HA 0.105 4.757 4.740 -0.148 0.000 0.307 428 N C -2.763 172.754 175.510 0.011 0.000 1.813 428 N CA -1.124 51.930 53.050 0.007 0.000 0.901 428 N CB 0.898 39.392 38.487 0.012 0.000 1.354 428 N HN 0.029 nan 8.380 nan 0.000 0.491 429 P HA 0.002 nan 4.420 nan 0.000 0.268 429 P C -0.165 177.136 177.300 0.003 0.000 1.208 429 P CA 0.284 63.388 63.100 0.006 0.000 0.777 429 P CB 1.371 33.069 31.700 -0.002 0.000 0.875 430 I N 2.205 122.777 120.570 0.002 0.000 2.371 430 I HA 0.084 4.165 4.170 -0.148 0.000 0.290 430 I C 0.728 176.797 176.117 -0.080 0.000 1.028 430 I CA -0.468 60.819 61.300 -0.022 0.000 1.345 430 I CB 0.210 38.211 38.000 0.001 0.000 1.407 430 I HN 0.179 nan 8.210 nan 0.000 0.501 431 D N 6.839 127.184 120.400 -0.093 0.000 2.570 431 D HA -0.108 4.444 4.640 -0.148 0.000 0.243 431 D C 0.592 176.797 176.300 -0.159 0.000 1.171 431 D CA 0.516 54.452 54.000 -0.106 0.000 0.879 431 D CB 0.573 41.315 40.800 -0.097 0.000 1.143 431 D HN 0.421 nan 8.370 nan 0.000 0.511 432 K N 2.824 123.154 120.400 -0.117 0.000 2.408 432 K HA -0.079 4.152 4.320 -0.148 0.000 0.231 432 K C 0.098 176.624 176.600 -0.124 0.000 1.261 432 K CA 0.196 56.410 56.287 -0.121 0.000 1.193 432 K CB 0.088 32.549 32.500 -0.065 0.000 1.431 432 K HN 0.299 nan 8.250 nan 0.000 0.243 433 D N 0.864 121.152 120.400 -0.186 0.000 2.266 433 D HA 0.034 4.586 4.640 -0.148 0.000 0.304 433 D C 0.474 176.625 176.300 -0.247 0.000 1.080 433 D CA 0.289 54.192 54.000 -0.161 0.000 0.850 433 D CB 0.525 41.247 40.800 -0.130 0.000 1.515 433 D HN 0.267 nan 8.370 nan 0.000 0.531 434 K N 0.215 120.371 120.400 -0.406 0.000 2.459 434 K HA 0.222 4.454 4.320 -0.148 0.000 0.193 434 K C 1.958 178.151 176.600 -0.679 0.000 1.030 434 K CA 0.129 56.031 56.287 -0.642 0.000 1.026 434 K CB 0.478 32.267 32.500 -1.186 0.000 0.809 434 K HN 0.143 nan 8.250 nan 0.000 0.504 435 M N 0.635 119.916 119.600 -0.532 0.000 2.319 435 M HA -0.112 4.279 4.480 -0.148 0.000 0.265 435 M C 1.699 177.482 176.300 -0.863 0.000 1.068 435 M CA 1.171 56.075 55.300 -0.659 0.000 1.118 435 M CB 0.094 32.427 32.600 -0.445 0.000 1.395 435 M HN 0.090 nan 8.290 nan 0.000 0.435 436 Q N -0.450 119.138 119.800 -0.354 0.000 2.167 436 Q HA -0.092 4.159 4.340 -0.148 0.000 0.202 436 Q C 1.935 177.815 176.000 -0.199 0.000 0.970 436 Q CA 1.542 57.317 55.803 -0.046 0.000 0.855 436 Q CB -0.634 28.105 28.738 0.000 0.000 0.911 436 Q HN 0.460 nan 8.270 nan 0.000 0.438 437 T N 1.040 115.362 114.554 -0.387 0.000 2.867 437 T HA -0.023 4.238 4.350 -0.148 0.000 0.268 437 T C 1.927 176.055 174.700 -0.953 0.000 1.057 437 T CA 0.846 62.651 62.100 -0.492 0.000 1.136 437 T CB -0.047 68.585 68.868 -0.393 0.000 0.874 437 T HN 0.211 nan 8.240 nan 0.000 0.466 438 M N -0.060 118.922 119.600 -1.030 0.000 2.132 438 M HA -0.040 4.352 4.480 -0.148 0.000 0.263 438 M C 1.982 178.021 176.300 -0.437 0.000 1.065 438 M CA 1.570 56.231 55.300 -1.065 0.000 1.122 438 M CB -0.480 31.692 32.600 -0.713 0.000 1.365 438 M HN 0.262 nan 8.290 nan 0.000 0.411 439 Y N -0.823 119.365 120.300 -0.187 0.000 2.274 439 Y HA -0.246 4.215 4.550 -0.148 0.000 0.290 439 Y C 2.576 178.467 175.900 -0.016 0.000 1.145 439 Y CA 1.222 59.284 58.100 -0.062 0.000 1.203 439 Y CB -1.378 37.050 38.460 -0.055 0.000 0.984 439 Y HN 0.382 nan 8.280 nan 0.000 0.533 440 H N -0.832 118.225 119.070 -0.021 0.000 2.357 440 H HA -0.180 4.287 4.556 -0.148 0.000 0.301 440 H C 1.595 176.975 175.328 0.088 0.000 1.082 440 H CA 1.840 57.892 56.048 0.007 0.000 1.342 440 H CB -0.272 29.459 29.762 -0.051 0.000 1.389 440 H HN 0.285 nan 8.280 nan 0.000 0.511 441 W N 1.295 122.599 121.300 0.008 0.000 2.335 441 W HA -0.159 4.412 4.660 -0.149 0.000 0.311 441 W C 2.714 179.280 176.519 0.078 0.000 1.213 441 W CA 0.426 57.673 57.345 -0.162 0.000 1.274 441 W CB -1.201 28.075 29.460 -0.306 0.000 1.148 441 W HN 0.216 nan 8.180 nan 0.000 0.498 442 I N 0.234 121.049 120.570 0.408 0.000 2.127 442 I HA -0.321 3.760 4.170 -0.148 0.000 0.241 442 I C 2.132 178.357 176.117 0.180 0.000 1.075 442 I CA 1.807 63.308 61.300 0.336 0.000 1.334 442 I CB -0.624 37.501 38.000 0.209 0.000 1.040 442 I HN -0.121 nan 8.210 nan 0.000 0.405 443 D N 0.465 120.905 120.400 0.066 0.000 2.123 443 D HA -0.161 4.390 4.640 -0.148 0.000 0.200 443 D C 2.104 178.356 176.300 -0.080 0.000 0.976 443 D CA 1.236 55.218 54.000 -0.030 0.000 0.831 443 D CB -0.060 40.703 40.800 -0.061 0.000 0.974 443 D HN 0.175 nan 8.370 nan 0.000 0.469 444 K N 0.286 120.601 120.400 -0.142 0.000 2.211 444 K HA 0.104 4.335 4.320 -0.148 0.000 0.201 444 K C 1.955 178.617 176.600 0.102 0.000 1.052 444 K CA 0.720 56.942 56.287 -0.108 0.000 0.973 444 K CB 0.321 32.604 32.500 -0.362 0.000 0.766 444 K HN -0.146 nan 8.250 nan 0.000 0.466 445 S N -0.872 114.859 115.700 0.051 0.000 2.510 445 S HA 0.185 4.566 4.470 -0.148 0.000 0.230 445 S C 1.348 175.808 174.600 -0.234 0.000 1.066 445 S CA 0.156 58.310 58.200 -0.077 0.000 0.941 445 S CB -0.147 62.943 63.200 -0.184 0.000 0.829 445 S HN 0.138 nan 8.310 nan 0.000 0.530 446 F N 2.156 122.123 119.950 0.029 0.000 2.188 446 F HA 0.302 4.741 4.527 -0.147 0.000 0.289 446 F C 2.636 178.406 175.800 -0.049 0.000 1.082 446 F CA 0.573 58.562 58.000 -0.018 0.000 1.282 446 F CB -1.080 37.918 39.000 -0.004 0.000 1.060 446 F HN 0.140 nan 8.300 nan 0.000 0.493 447 A N 0.843 123.743 122.820 0.134 0.000 1.915 447 A HA -0.217 4.014 4.320 -0.148 0.000 0.220 447 A C -0.199 177.296 177.584 -0.150 0.000 1.198 447 A CA 2.269 54.287 52.037 -0.031 0.000 0.647 447 A CB -2.170 16.775 19.000 -0.091 0.000 0.825 447 A HN 0.252 nan 8.150 nan 0.000 0.456 448 P HA -0.094 nan 4.420 nan 0.000 0.219 448 P C 1.017 178.364 177.300 0.079 0.000 1.146 448 P CA 0.832 63.793 63.100 -0.233 0.000 0.808 448 P CB -0.106 31.593 31.700 -0.002 0.000 0.779 449 L N -2.063 119.190 121.223 0.050 0.000 2.591 449 L HA 0.075 4.326 4.340 -0.148 0.000 0.228 449 L C 0.648 177.462 176.870 -0.094 0.000 1.133 449 L CA 0.038 54.873 54.840 -0.007 0.000 0.880 449 L CB -0.356 41.675 42.059 -0.048 0.000 1.033 449 L HN -0.044 nan 8.230 nan 0.000 0.450 450 L N 0.696 121.872 121.223 -0.077 0.000 2.280 450 L HA 0.410 4.661 4.340 -0.148 0.000 0.287 450 L C -0.806 175.964 176.870 -0.167 0.000 1.023 450 L CA -0.394 54.369 54.840 -0.129 0.000 0.819 450 L CB 1.800 43.810 42.059 -0.083 0.000 1.212 450 L HN -0.244 nan 8.230 nan 0.000 0.420 451 V N 3.497 123.256 119.914 -0.258 0.000 2.409 451 V HA 0.314 4.345 4.120 -0.148 0.000 0.290 451 V C 0.047 176.056 176.094 -0.143 0.000 1.017 451 V CA -0.782 61.362 62.300 -0.260 0.000 0.841 451 V CB 1.368 32.988 31.823 -0.338 0.000 1.003 451 V HN 0.864 nan 8.190 nan 0.000 0.426 452 N N 3.976 122.635 118.700 -0.068 0.000 2.721 452 N HA -0.218 4.434 4.740 -0.148 0.000 0.249 452 N C 1.188 176.779 175.510 0.134 0.000 1.072 452 N CA 1.530 54.623 53.050 0.071 0.000 0.710 452 N CB -0.942 37.647 38.487 0.170 0.000 0.993 452 N HN 1.576 nan 8.380 nan 0.000 0.547 453 G N -0.603 108.216 108.800 0.032 0.000 2.179 453 G HA2 -0.333 3.538 3.960 -0.148 0.000 0.260 453 G HA3 -0.333 3.538 3.960 -0.148 0.000 0.260 453 G C -0.205 174.605 174.900 -0.151 0.000 0.977 453 G CA 0.680 45.821 45.100 0.069 0.000 0.641 453 G HN 0.654 nan 8.290 nan 0.000 0.533 454 E N -0.288 119.679 120.200 -0.389 0.000 2.179 454 E HA 0.620 4.882 4.350 -0.148 0.000 0.275 454 E C -0.590 175.805 176.600 -0.342 0.000 0.945 454 E CA -1.103 54.936 56.400 -0.601 0.000 0.792 454 E CB 1.032 30.329 29.700 -0.672 0.000 1.125 454 E HN 0.194 nan 8.360 nan 0.000 0.397 455 L N 5.440 126.514 121.223 -0.248 0.000 2.257 455 L HA 0.320 4.571 4.340 -0.148 0.000 0.290 455 L C -0.346 176.409 176.870 -0.191 0.000 1.044 455 L CA -0.048 54.685 54.840 -0.177 0.000 0.810 455 L CB 0.731 42.728 42.059 -0.104 0.000 1.193 455 L HN 0.721 nan 8.230 nan 0.000 0.425 456 M N 4.540 123.985 119.600 -0.258 0.000 2.409 456 M HA -0.070 4.321 4.480 -0.148 0.000 0.376 456 M C 0.789 176.940 176.300 -0.249 0.000 1.631 456 M CA 0.199 55.325 55.300 -0.289 0.000 0.987 456 M CB 0.042 32.461 32.600 -0.301 0.000 2.090 456 M HN 0.580 nan 8.290 nan 0.000 0.474 457 D N 3.481 123.727 120.400 -0.255 0.000 2.182 457 D HA -0.186 4.366 4.640 -0.148 0.000 0.201 457 D C 1.886 178.061 176.300 -0.209 0.000 0.986 457 D CA 1.567 55.480 54.000 -0.146 0.000 0.847 457 D CB -0.142 40.755 40.800 0.161 0.000 0.942 457 D HN 0.745 nan 8.370 nan 0.000 0.467 458 M N 0.036 119.408 119.600 -0.381 0.000 2.539 458 M HA -0.060 4.331 4.480 -0.148 0.000 0.261 458 M C 1.522 177.720 176.300 -0.171 0.000 1.069 458 M CA 1.468 56.647 55.300 -0.202 0.000 1.081 458 M CB -0.146 32.335 32.600 -0.199 0.000 1.412 458 M HN -0.075 nan 8.290 nan 0.000 0.482 459 S N -0.324 115.266 115.700 -0.182 0.000 2.559 459 S HA 0.267 4.648 4.470 -0.148 0.000 0.226 459 S C 1.344 175.884 174.600 -0.099 0.000 1.000 459 S CA -0.790 57.318 58.200 -0.154 0.000 0.948 459 S CB 0.059 63.163 63.200 -0.160 0.000 0.870 459 S HN 0.648 nan 8.310 nan 0.000 0.497 460 R N 1.227 121.660 120.500 -0.112 0.000 2.393 460 R HA 0.356 4.607 4.340 -0.148 0.000 0.244 460 R C 1.642 177.927 176.300 -0.024 0.000 0.920 460 R CA 0.264 56.347 56.100 -0.028 0.000 1.076 460 R CB -0.092 30.172 30.300 -0.060 0.000 1.119 460 R HN 0.482 nan 8.270 nan 0.000 0.524 461 G N 3.111 111.736 108.800 -0.292 0.000 2.651 461 G HA2 -0.458 3.413 3.960 -0.148 0.000 0.315 461 G HA3 -0.458 3.413 3.960 -0.148 0.000 0.315 461 G C 0.746 175.553 174.900 -0.155 0.000 1.258 461 G CA 0.846 45.691 45.100 -0.425 0.000 1.002 461 G HN 0.523 nan 8.290 nan 0.000 0.551 462 R N 0.085 120.596 120.500 0.018 0.000 2.307 462 R HA 0.286 4.537 4.340 -0.148 0.000 0.199 462 R C 2.192 178.464 176.300 -0.047 0.000 1.000 462 R CA 1.672 57.769 56.100 -0.006 0.000 1.023 462 R CB -0.271 30.078 30.300 0.081 0.000 0.908 462 R HN 0.287 nan 8.270 nan 0.000 0.473 463 S N 1.781 117.461 115.700 -0.033 0.000 2.547 463 S HA -0.008 4.374 4.470 -0.148 0.000 0.235 463 S C 1.792 176.331 174.600 -0.103 0.000 0.980 463 S CA 0.961 59.116 58.200 -0.075 0.000 0.941 463 S CB -0.315 62.837 63.200 -0.080 0.000 0.763 463 S HN 0.567 nan 8.310 nan 0.000 0.532 464 I N 0.433 120.877 120.570 -0.211 0.000 2.830 464 I HA -0.010 4.071 4.170 -0.148 0.000 0.263 464 I C 1.765 177.785 176.117 -0.163 0.000 1.230 464 I CA 1.034 62.111 61.300 -0.372 0.000 1.480 464 I CB -0.494 36.885 38.000 -1.035 0.000 1.095 464 I HN 0.207 nan 8.210 nan 0.000 0.455 465 S N 0.593 116.261 115.700 -0.052 0.000 2.631 465 S HA 0.242 4.623 4.470 -0.148 0.000 0.217 465 S C 0.700 175.487 174.600 0.311 0.000 0.958 465 S CA -0.598 57.719 58.200 0.195 0.000 0.920 465 S CB -0.331 62.896 63.200 0.045 0.000 0.776 465 S HN 0.467 nan 8.310 nan 0.000 0.517 466 R N 0.641 121.199 120.500 0.097 0.000 2.255 466 R HA 0.603 4.854 4.340 -0.148 0.000 0.326 466 R C 1.110 177.090 176.300 -0.533 0.000 0.986 466 R CA 0.125 56.135 56.100 -0.150 0.000 0.847 466 R CB 1.115 31.329 30.300 -0.143 0.000 1.111 466 R HN 0.262 nan 8.270 nan 0.000 0.452 467 A N 3.152 125.300 122.820 -1.120 0.000 1.972 467 A HA -0.203 4.028 4.320 -0.148 0.000 0.219 467 A C 1.519 178.700 177.584 -0.672 0.000 1.169 467 A CA 1.630 52.659 52.037 -1.679 0.000 0.635 467 A CB -0.315 17.596 19.000 -1.814 0.000 0.810 467 A HN 0.822 nan 8.150 nan 0.000 0.446 468 N N -0.743 117.708 118.700 -0.414 0.000 2.383 468 N HA 0.055 4.707 4.740 -0.148 0.000 0.192 468 N C -0.144 175.272 175.510 -0.156 0.000 1.141 468 N CA 0.848 53.765 53.050 -0.221 0.000 0.851 468 N CB -0.037 38.349 38.487 -0.168 0.000 0.976 468 N HN 0.119 nan 8.380 nan 0.000 0.465 469 S N 0.078 115.679 115.700 -0.164 0.000 2.740 469 S HA 0.179 4.560 4.470 -0.148 0.000 0.244 469 S C -0.279 174.306 174.600 -0.025 0.000 1.101 469 S CA -0.686 57.454 58.200 -0.099 0.000 1.123 469 S CB 0.587 63.720 63.200 -0.111 0.000 1.012 469 S HN 0.279 nan 8.310 nan 0.000 0.491 470 E N 0.569 120.784 120.200 0.026 0.000 2.392 470 E HA 0.241 4.503 4.350 -0.148 0.000 0.256 470 E C 1.581 178.242 176.600 0.101 0.000 1.145 470 E CA -0.040 56.462 56.400 0.171 0.000 0.929 470 E CB 0.388 30.252 29.700 0.274 0.000 0.998 470 E HN 0.358 nan 8.360 nan 0.000 0.442 471 G N 1.448 110.347 108.800 0.165 0.000 2.663 471 G HA2 -0.343 3.529 3.960 -0.148 0.000 0.222 471 G HA3 -0.343 3.529 3.960 -0.148 0.000 0.222 471 G C 1.109 175.954 174.900 -0.091 0.000 1.146 471 G CA 1.158 46.283 45.100 0.041 0.000 0.764 471 G HN 0.628 nan 8.290 nan 0.000 0.608 472 H N -0.444 118.594 119.070 -0.055 0.000 2.428 472 H HA 0.039 4.507 4.556 -0.148 0.000 0.296 472 H C 2.812 177.851 175.328 -0.482 0.000 1.062 472 H CA 1.157 57.092 56.048 -0.189 0.000 1.350 472 H CB 0.044 29.738 29.762 -0.113 0.000 1.403 472 H HN 0.303 nan 8.280 nan 0.000 0.533 473 V N 1.008 120.655 119.914 -0.445 0.000 2.323 473 V HA -0.160 3.871 4.120 -0.148 0.000 0.244 473 V C 2.851 178.858 176.094 -0.145 0.000 1.041 473 V CA 1.388 63.452 62.300 -0.394 0.000 1.025 473 V CB -0.919 30.750 31.823 -0.256 0.000 0.656 473 V HN 0.405 nan 8.190 nan 0.000 0.451 474 A N 0.318 123.069 122.820 -0.114 0.000 1.940 474 A HA -0.139 4.092 4.320 -0.148 0.000 0.219 474 A C 2.429 179.967 177.584 -0.076 0.000 1.176 474 A CA 2.079 54.065 52.037 -0.085 0.000 0.631 474 A CB -0.825 18.132 19.000 -0.073 0.000 0.814 474 A HN 0.584 nan 8.150 nan 0.000 0.446 475 A N -0.431 122.339 122.820 -0.083 0.000 1.986 475 A HA -0.067 4.164 4.320 -0.148 0.000 0.220 475 A C 2.145 179.700 177.584 -0.048 0.000 1.171 475 A CA 1.884 53.879 52.037 -0.069 0.000 0.640 475 A CB -0.937 18.014 19.000 -0.082 0.000 0.811 475 A HN 0.484 nan 8.150 nan 0.000 0.451 476 V N 0.218 120.121 119.914 -0.019 0.000 2.594 476 V HA -0.260 3.772 4.120 -0.148 0.000 0.253 476 V C 2.244 178.313 176.094 -0.041 0.000 1.069 476 V CA 2.072 64.371 62.300 -0.002 0.000 1.082 476 V CB -0.928 30.935 31.823 0.068 0.000 0.680 476 V HN 0.654 nan 8.190 nan 0.000 0.469 477 E N 0.067 120.232 120.200 -0.058 0.000 2.110 477 E HA -0.154 4.107 4.350 -0.148 0.000 0.193 477 E C 2.242 178.773 176.600 -0.117 0.000 0.988 477 E CA 1.391 57.744 56.400 -0.078 0.000 0.804 477 E CB -0.171 29.477 29.700 -0.086 0.000 0.745 477 E HN 0.506 nan 8.360 nan 0.000 0.458 478 V N 1.393 121.223 119.914 -0.140 0.000 2.407 478 V HA -0.198 3.834 4.120 -0.148 0.000 0.245 478 V C 2.287 178.269 176.094 -0.187 0.000 1.041 478 V CA 1.204 63.359 62.300 -0.242 0.000 1.040 478 V CB -0.382 31.303 31.823 -0.229 0.000 0.671 478 V HN 0.221 nan 8.190 nan 0.000 0.455 479 L N 0.657 121.811 121.223 -0.114 0.000 2.046 479 L HA -0.190 4.061 4.340 -0.148 0.000 0.208 479 L C 2.840 179.679 176.870 -0.051 0.000 1.077 479 L CA 2.111 56.900 54.840 -0.085 0.000 0.747 479 L CB -0.726 41.290 42.059 -0.072 0.000 0.896 479 L HN 0.429 nan 8.230 nan 0.000 0.432 480 R N 0.259 120.733 120.500 -0.044 0.000 2.148 480 R HA -0.053 4.199 4.340 -0.148 0.000 0.227 480 R C 2.133 178.429 176.300 -0.007 0.000 1.103 480 R CA 1.286 57.382 56.100 -0.008 0.000 0.983 480 R CB -0.927 29.357 30.300 -0.027 0.000 0.874 480 R HN 0.263 nan 8.270 nan 0.000 0.451 481 G N 1.885 110.654 108.800 -0.052 0.000 2.402 481 G HA2 -0.138 3.733 3.960 -0.148 0.000 0.216 481 G HA3 -0.138 3.733 3.960 -0.148 0.000 0.216 481 G C 1.535 176.425 174.900 -0.017 0.000 1.162 481 G CA 0.659 45.730 45.100 -0.050 0.000 0.777 481 G HN 0.224 nan 8.290 nan 0.000 0.539 482 I N -0.180 120.369 120.570 -0.034 0.000 2.252 482 I HA -0.152 3.929 4.170 -0.148 0.000 0.245 482 I C 2.532 178.709 176.117 0.100 0.000 1.102 482 I CA 1.068 62.375 61.300 0.013 0.000 1.385 482 I CB -0.298 37.685 38.000 -0.027 0.000 1.064 482 I HN 0.118 nan 8.210 nan 0.000 0.414 483 H N 1.549 120.599 119.070 -0.033 0.000 2.423 483 H HA -0.042 4.426 4.556 -0.147 0.000 0.297 483 H C 2.294 177.615 175.328 -0.012 0.000 1.075 483 H CA 1.514 57.547 56.048 -0.025 0.000 1.342 483 H CB 0.047 29.783 29.762 -0.044 0.000 1.395 483 H HN 0.173 nan 8.280 nan 0.000 0.530 484 R N -0.542 119.988 120.500 0.051 0.000 2.073 484 R HA -0.010 4.242 4.340 -0.148 0.000 0.229 484 R C 2.558 178.879 176.300 0.034 0.000 1.120 484 R CA 1.371 57.464 56.100 -0.012 0.000 0.967 484 R CB -0.106 30.195 30.300 0.002 0.000 0.862 484 R HN 0.298 nan 8.270 nan 0.000 0.436 485 I N 0.623 121.237 120.570 0.074 0.000 2.286 485 I HA -0.257 3.824 4.170 -0.148 0.000 0.248 485 I C 2.487 178.691 176.117 0.145 0.000 1.115 485 I CA 1.147 62.511 61.300 0.107 0.000 1.392 485 I CB -0.334 37.736 38.000 0.117 0.000 1.065 485 I HN 0.219 nan 8.210 nan 0.000 0.418 486 A N 0.213 123.118 122.820 0.141 0.000 1.930 486 A HA -0.274 3.958 4.320 -0.148 0.000 0.217 486 A C 1.977 179.609 177.584 0.080 0.000 1.175 486 A CA 2.110 54.224 52.037 0.129 0.000 0.627 486 A CB -0.602 18.501 19.000 0.171 0.000 0.815 486 A HN 0.414 nan 8.150 nan 0.000 0.443 487 D N -1.282 119.139 120.400 0.035 0.000 2.219 487 D HA -0.092 4.459 4.640 -0.148 0.000 0.205 487 D C 1.634 177.943 176.300 0.015 0.000 0.970 487 D CA 0.987 54.977 54.000 -0.016 0.000 0.851 487 D CB -0.054 40.688 40.800 -0.096 0.000 0.943 487 D HN 0.239 nan 8.370 nan 0.000 0.488 488 M N 0.055 119.681 119.600 0.043 0.000 2.495 488 M HA 0.182 4.573 4.480 -0.148 0.000 0.237 488 M C 0.476 176.820 176.300 0.074 0.000 1.131 488 M CA 0.195 55.526 55.300 0.053 0.000 1.032 488 M CB 0.109 32.744 32.600 0.058 0.000 1.513 488 M HN -0.161 nan 8.290 nan 0.000 0.488 489 S N 1.022 116.775 115.700 0.088 0.000 2.719 489 S HA 0.515 4.897 4.470 -0.148 0.000 0.285 489 S C 0.150 174.772 174.600 0.037 0.000 1.137 489 S CA -0.781 57.477 58.200 0.097 0.000 1.012 489 S CB 1.698 64.963 63.200 0.107 0.000 1.134 489 S HN 0.400 nan 8.310 nan 0.000 0.544 490 E N -0.976 119.229 120.200 0.008 0.000 2.408 490 E HA 0.610 4.871 4.350 -0.148 0.000 0.275 490 E C 0.345 176.927 176.600 -0.030 0.000 0.935 490 E CA -0.922 55.474 56.400 -0.006 0.000 0.775 490 E CB 0.975 30.675 29.700 0.001 0.000 1.277 490 E HN 0.762 nan 8.360 nan 0.000 0.455 491 G N 1.992 110.778 108.800 -0.023 0.000 2.622 491 G HA2 -0.406 3.465 3.960 -0.148 0.000 0.307 491 G HA3 -0.406 3.465 3.960 -0.148 0.000 0.307 491 G C 0.823 175.698 174.900 -0.043 0.000 1.226 491 G CA 0.657 45.739 45.100 -0.030 0.000 0.997 491 G HN 0.671 nan 8.290 nan 0.000 0.551 492 E N -0.146 120.022 120.200 -0.054 0.000 2.051 492 E HA -0.110 4.151 4.350 -0.148 0.000 0.192 492 E C 2.952 179.493 176.600 -0.098 0.000 0.991 492 E CA 1.976 58.338 56.400 -0.064 0.000 0.799 492 E CB -0.696 28.967 29.700 -0.062 0.000 0.748 492 E HN 0.565 nan 8.360 nan 0.000 0.449 493 T N 1.389 115.853 114.554 -0.149 0.000 2.699 493 T HA -0.210 4.051 4.350 -0.148 0.000 0.268 493 T C 1.900 176.488 174.700 -0.187 0.000 1.036 493 T CA 1.857 63.802 62.100 -0.258 0.000 1.147 493 T CB -0.131 68.476 68.868 -0.435 0.000 0.862 493 T HN 0.182 nan 8.240 nan 0.000 0.446 494 K N 0.783 121.120 120.400 -0.105 0.000 2.001 494 K HA -0.153 4.078 4.320 -0.148 0.000 0.208 494 K C 2.498 179.086 176.600 -0.021 0.000 1.048 494 K CA 1.515 57.780 56.287 -0.036 0.000 0.932 494 K CB -0.181 32.314 32.500 -0.009 0.000 0.715 494 K HN 0.354 nan 8.250 nan 0.000 0.437 495 Q N 0.879 120.661 119.800 -0.030 0.000 2.124 495 Q HA -0.214 4.037 4.340 -0.148 0.000 0.202 495 Q C 2.180 178.160 176.000 -0.032 0.000 0.977 495 Q CA 1.791 57.582 55.803 -0.021 0.000 0.850 495 Q CB -0.099 28.627 28.738 -0.021 0.000 0.901 495 Q HN 0.410 nan 8.270 nan 0.000 0.429 496 R N -0.116 120.353 120.500 -0.052 0.000 2.092 496 R HA -0.098 4.153 4.340 -0.148 0.000 0.231 496 R C 2.091 178.361 176.300 -0.051 0.000 1.119 496 R CA 1.393 57.461 56.100 -0.054 0.000 0.970 496 R CB -0.567 29.690 30.300 -0.071 0.000 0.864 496 R HN 0.288 nan 8.270 nan 0.000 0.440 497 L N 0.813 122.006 121.223 -0.051 0.000 2.093 497 L HA -0.121 4.130 4.340 -0.148 0.000 0.208 497 L C 2.743 179.591 176.870 -0.037 0.000 1.085 497 L CA 1.473 56.298 54.840 -0.026 0.000 0.755 497 L CB -0.468 41.599 42.059 0.012 0.000 0.904 497 L HN 0.365 nan 8.230 nan 0.000 0.435 498 Q N -0.627 119.155 119.800 -0.029 0.000 2.124 498 Q HA -0.164 4.087 4.340 -0.148 0.000 0.202 498 Q C 2.415 178.354 176.000 -0.101 0.000 0.977 498 Q CA 1.724 57.482 55.803 -0.075 0.000 0.850 498 Q CB -0.040 28.696 28.738 -0.002 0.000 0.901 498 Q HN 0.415 nan 8.270 nan 0.000 0.429 499 S N 0.938 116.601 115.700 -0.060 0.000 2.383 499 S HA -0.123 4.259 4.470 -0.148 0.000 0.227 499 S C 1.794 176.360 174.600 -0.057 0.000 1.026 499 S CA 0.745 58.915 58.200 -0.051 0.000 0.981 499 S CB -0.189 62.991 63.200 -0.033 0.000 0.818 499 S HN 0.243 nan 8.310 nan 0.000 0.472 500 L N 1.905 123.093 121.223 -0.058 0.000 2.017 500 L HA -0.023 4.228 4.340 -0.148 0.000 0.208 500 L C 2.156 178.980 176.870 -0.077 0.000 1.073 500 L CA 1.652 56.459 54.840 -0.056 0.000 0.745 500 L CB -0.724 41.308 42.059 -0.046 0.000 0.894 500 L HN 0.124 nan 8.230 nan 0.000 0.432 501 V N -0.174 119.671 119.914 -0.115 0.000 2.358 501 V HA -0.283 3.748 4.120 -0.148 0.000 0.246 501 V C 2.644 178.650 176.094 -0.147 0.000 1.047 501 V CA 2.042 64.249 62.300 -0.157 0.000 1.035 501 V CB -0.716 30.939 31.823 -0.280 0.000 0.658 501 V HN 0.513 nan 8.190 nan 0.000 0.452 502 K N -0.283 120.032 120.400 -0.142 0.000 2.026 502 K HA -0.217 4.014 4.320 -0.148 0.000 0.208 502 K C 2.373 178.941 176.600 -0.054 0.000 1.048 502 K CA 2.009 58.237 56.287 -0.099 0.000 0.929 502 K CB -0.397 32.056 32.500 -0.078 0.000 0.713 502 K HN 0.441 nan 8.250 nan 0.000 0.439 503 T N 0.534 115.063 114.554 -0.042 0.000 2.867 503 T HA -0.051 4.211 4.350 -0.148 0.000 0.268 503 T C 1.805 176.497 174.700 -0.014 0.000 1.057 503 T CA 1.142 63.232 62.100 -0.017 0.000 1.136 503 T CB -0.113 68.750 68.868 -0.009 0.000 0.874 503 T HN 0.209 nan 8.240 nan 0.000 0.466 504 I N 0.464 121.015 120.570 -0.031 0.000 2.163 504 I HA -0.112 3.970 4.170 -0.148 0.000 0.240 504 I C 2.516 178.634 176.117 0.001 0.000 1.081 504 I CA 0.910 62.196 61.300 -0.025 0.000 1.353 504 I CB -0.370 37.604 38.000 -0.044 0.000 1.054 504 I HN 0.116 nan 8.210 nan 0.000 0.407 505 V N 0.611 120.513 119.914 -0.020 0.000 2.332 505 V HA -0.310 3.722 4.120 -0.148 0.000 0.248 505 V C 2.338 178.442 176.094 0.017 0.000 1.055 505 V CA 1.852 64.146 62.300 -0.010 0.000 1.038 505 V CB -0.760 31.022 31.823 -0.069 0.000 0.651 505 V HN 0.500 nan 8.190 nan 0.000 0.450 506 Q N 0.179 119.985 119.800 0.011 0.000 2.369 506 Q HA -0.101 4.151 4.340 -0.148 0.000 0.206 506 Q C 2.228 178.257 176.000 0.048 0.000 0.963 506 Q CA 1.473 57.292 55.803 0.028 0.000 0.894 506 Q CB -0.174 28.575 28.738 0.020 0.000 0.965 506 Q HN 0.807 nan 8.270 nan 0.000 0.475 507 S N -0.275 115.457 115.700 0.055 0.000 2.558 507 S HA -0.023 4.359 4.470 -0.148 0.000 0.217 507 S C 0.484 175.153 174.600 0.115 0.000 0.975 507 S CA -0.109 58.137 58.200 0.077 0.000 0.912 507 S CB 0.259 63.498 63.200 0.064 0.000 0.776 507 S HN 0.073 nan 8.310 nan 0.000 0.526 508 D N 2.706 123.181 120.400 0.125 0.000 2.479 508 D HA 0.273 4.824 4.640 -0.148 0.000 0.218 508 D C 0.841 177.230 176.300 0.148 0.000 1.131 508 D CA -0.078 54.036 54.000 0.191 0.000 0.916 508 D CB 1.135 42.081 40.800 0.244 0.000 1.022 508 D HN 0.349 nan 8.370 nan 0.000 0.515 509 S N 2.622 118.412 115.700 0.150 0.000 2.593 509 S HA -0.088 4.293 4.470 -0.148 0.000 0.217 509 S C 1.466 176.144 174.600 0.130 0.000 0.966 509 S CA -0.160 58.109 58.200 0.114 0.000 0.914 509 S CB -0.182 63.081 63.200 0.106 0.000 0.776 509 S HN 0.566 nan 8.310 nan 0.000 0.523 510 Y N 1.057 121.354 120.300 -0.004 0.000 2.396 510 Y HA 0.393 4.855 4.550 -0.147 0.000 0.292 510 Y C 0.279 176.165 175.900 -0.023 0.000 1.128 510 Y CA -0.417 57.646 58.100 -0.061 0.000 1.194 510 Y CB 0.084 38.429 38.460 -0.192 0.000 1.124 510 Y HN 0.296 nan 8.280 nan 0.000 0.543 511 Y N 1.837 121.944 120.300 -0.320 0.000 2.377 511 Y HA 0.368 4.829 4.550 -0.148 0.000 0.339 511 Y C -0.948 174.885 175.900 -0.112 0.000 1.011 511 Y CA -1.884 56.020 58.100 -0.326 0.000 1.093 511 Y CB 0.827 39.186 38.460 -0.169 0.000 1.201 511 Y HN 0.063 nan 8.280 nan 0.000 0.455 512 D N 4.920 124.882 120.400 -0.729 0.000 2.365 512 D HA 0.029 4.580 4.640 -0.148 0.000 0.237 512 D C 0.895 176.791 176.300 -0.673 0.000 1.190 512 D CA 0.242 53.950 54.000 -0.488 0.000 0.867 512 D CB 1.369 41.977 40.800 -0.319 0.000 1.050 512 D HN 0.567 nan 8.370 nan 0.000 0.491 513 V N 5.035 124.746 119.914 -0.338 0.000 2.453 513 V HA -0.263 3.769 4.120 -0.148 0.000 0.252 513 V C 1.648 177.562 176.094 -0.300 0.000 1.068 513 V CA 1.734 63.877 62.300 -0.262 0.000 1.070 513 V CB -0.677 30.969 31.823 -0.295 0.000 0.664 513 V HN 0.569 nan 8.190 nan 0.000 0.461 514 F N 0.422 120.293 119.950 -0.133 0.000 2.494 514 F HA -0.046 4.392 4.527 -0.149 0.000 0.298 514 F C 2.247 177.991 175.800 -0.092 0.000 1.106 514 F CA 1.309 59.260 58.000 -0.081 0.000 1.452 514 F CB -0.456 38.503 39.000 -0.069 0.000 1.085 514 F HN 0.153 nan 8.300 nan 0.000 0.569 515 K N -0.421 119.942 120.400 -0.062 0.000 2.442 515 K HA -0.128 4.103 4.320 -0.148 0.000 0.198 515 K C 0.885 177.529 176.600 0.073 0.000 1.042 515 K CA 0.850 57.110 56.287 -0.045 0.000 0.958 515 K CB -0.151 32.221 32.500 -0.214 0.000 0.766 515 K HN 0.077 nan 8.250 nan 0.000 0.474 516 N N 0.356 119.113 118.700 0.094 0.000 2.365 516 N HA 0.137 4.788 4.740 -0.148 0.000 0.257 516 N C -1.320 174.213 175.510 0.038 0.000 1.287 516 N CA -0.067 53.044 53.050 0.101 0.000 0.882 516 N CB 0.545 39.136 38.487 0.173 0.000 1.250 516 N HN -0.054 nan 8.380 nan 0.000 0.507 517 L N 1.397 122.641 121.223 0.034 0.000 2.283 517 L HA 0.410 4.661 4.340 -0.148 0.000 0.281 517 L C 0.481 177.364 176.870 0.022 0.000 1.033 517 L CA -0.487 54.365 54.840 0.020 0.000 0.848 517 L CB 1.141 43.224 42.059 0.041 0.000 1.226 517 L HN -0.171 nan 8.230 nan 0.000 0.429 518 K N 1.582 121.966 120.400 -0.028 0.000 2.500 518 K HA 0.203 4.434 4.320 -0.148 0.000 0.206 518 K C 0.343 176.848 176.600 -0.158 0.000 1.034 518 K CA -0.025 56.218 56.287 -0.073 0.000 1.179 518 K CB 0.257 32.715 32.500 -0.070 0.000 0.884 518 K HN 0.612 nan 8.250 nan 0.000 0.493 519 T N -3.829 110.629 114.554 -0.159 0.000 2.900 519 T HA 0.362 4.624 4.350 -0.148 0.000 0.303 519 T C 0.568 175.168 174.700 -0.166 0.000 1.142 519 T CA -0.712 61.233 62.100 -0.258 0.000 1.007 519 T CB 0.732 69.502 68.868 -0.165 0.000 1.156 519 T HN -0.079 nan 8.240 nan 0.000 0.490 520 Y N 0.619 120.982 120.300 0.105 0.000 2.293 520 Y HA 0.111 4.571 4.550 -0.151 0.000 0.291 520 Y C 2.530 178.466 175.900 0.060 0.000 1.137 520 Y CA 0.897 59.081 58.100 0.139 0.000 1.202 520 Y CB -0.508 38.098 38.460 0.244 0.000 0.990 520 Y HN 0.595 nan 8.280 nan 0.000 0.537 521 K N 0.668 121.139 120.400 0.118 0.000 2.057 521 K HA -0.118 4.113 4.320 -0.148 0.000 0.206 521 K C 1.452 177.985 176.600 -0.111 0.000 1.050 521 K CA 1.667 57.862 56.287 -0.153 0.000 0.935 521 K CB -0.416 31.970 32.500 -0.190 0.000 0.715 521 K HN 0.145 nan 8.250 nan 0.000 0.439 522 D N 0.218 120.591 120.400 -0.045 0.000 2.144 522 D HA -0.127 4.425 4.640 -0.148 0.000 0.199 522 D C 1.949 178.278 176.300 0.049 0.000 0.984 522 D CA 1.199 55.183 54.000 -0.027 0.000 0.834 522 D CB -0.017 40.769 40.800 -0.023 0.000 0.955 522 D HN 0.274 nan 8.370 nan 0.000 0.465 523 I N 0.492 121.137 120.570 0.124 0.000 2.202 523 I HA -0.242 3.840 4.170 -0.148 0.000 0.242 523 I C 2.603 178.852 176.117 0.219 0.000 1.091 523 I CA 0.738 62.202 61.300 0.273 0.000 1.368 523 I CB -0.246 37.927 38.000 0.289 0.000 1.058 523 I HN -0.062 nan 8.210 nan 0.000 0.410 524 S N 1.170 116.925 115.700 0.091 0.000 2.359 524 S HA -0.167 4.214 4.470 -0.148 0.000 0.224 524 S C 2.104 176.702 174.600 -0.003 0.000 1.035 524 S CA 1.397 59.606 58.200 0.015 0.000 1.018 524 S CB -0.347 62.795 63.200 -0.098 0.000 0.876 524 S HN 0.322 nan 8.310 nan 0.000 0.448 525 L N 0.293 121.472 121.223 -0.073 0.000 2.046 525 L HA -0.106 4.145 4.340 -0.148 0.000 0.208 525 L C 2.712 179.664 176.870 0.136 0.000 1.077 525 L CA 1.646 56.388 54.840 -0.163 0.000 0.747 525 L CB -0.440 41.343 42.059 -0.461 0.000 0.896 525 L HN 0.424 nan 8.230 nan 0.000 0.432 526 M N -0.363 119.363 119.600 0.211 0.000 2.175 526 M HA -0.193 4.198 4.480 -0.148 0.000 0.264 526 M C 2.198 178.634 176.300 0.227 0.000 1.063 526 M CA 1.782 57.215 55.300 0.223 0.000 1.119 526 M CB -0.277 32.319 32.600 -0.007 0.000 1.377 526 M HN 0.130 nan 8.290 nan 0.000 0.415 527 Q N -0.744 119.219 119.800 0.272 0.000 2.079 527 Q HA -0.134 4.117 4.340 -0.148 0.000 0.200 527 Q C 2.122 178.199 176.000 0.129 0.000 0.974 527 Q CA 2.021 57.958 55.803 0.223 0.000 0.840 527 Q CB -0.365 28.461 28.738 0.147 0.000 0.898 527 Q HN 0.761 nan 8.270 nan 0.000 0.430 528 S N 1.112 116.875 115.700 0.105 0.000 2.368 528 S HA -0.158 4.223 4.470 -0.148 0.000 0.224 528 S C 1.958 176.612 174.600 0.090 0.000 1.029 528 S CA 0.925 59.169 58.200 0.074 0.000 0.988 528 S CB -0.579 62.648 63.200 0.044 0.000 0.838 528 S HN 0.442 nan 8.310 nan 0.000 0.462 529 L N 0.800 122.111 121.223 0.147 0.000 2.046 529 L HA 0.012 4.264 4.340 -0.148 0.000 0.208 529 L C 2.403 179.294 176.870 0.035 0.000 1.077 529 L CA 1.506 56.404 54.840 0.097 0.000 0.747 529 L CB -0.350 41.742 42.059 0.055 0.000 0.896 529 L HN 0.326 nan 8.230 nan 0.000 0.432 530 L N -0.221 121.032 121.223 0.051 0.000 2.141 530 L HA -0.127 4.124 4.340 -0.148 0.000 0.209 530 L C 2.666 179.561 176.870 0.041 0.000 1.094 530 L CA 1.318 56.183 54.840 0.042 0.000 0.763 530 L CB -0.484 41.622 42.059 0.079 0.000 0.908 530 L HN 0.489 nan 8.230 nan 0.000 0.437 531 S N -2.678 113.051 115.700 0.047 0.000 2.524 531 S HA -0.032 4.350 4.470 -0.148 0.000 0.216 531 S C 0.802 175.416 174.600 0.024 0.000 0.987 531 S CA -0.318 57.901 58.200 0.032 0.000 0.909 531 S CB -0.178 63.039 63.200 0.030 0.000 0.781 531 S HN 0.230 nan 8.310 nan 0.000 0.521 532 D N 2.218 122.634 120.400 0.026 0.000 2.342 532 D HA 0.446 4.998 4.640 -0.148 0.000 0.260 532 D C 1.102 177.410 176.300 0.014 0.000 1.278 532 D CA 0.190 54.202 54.000 0.020 0.000 0.910 532 D CB 1.163 41.979 40.800 0.026 0.000 1.079 532 D HN 0.250 nan 8.370 nan 0.000 0.496 533 A N 3.367 126.194 122.820 0.011 0.000 2.121 533 A HA -0.006 4.226 4.320 -0.148 0.000 0.218 533 A C 2.020 179.607 177.584 0.006 0.000 1.154 533 A CA 1.320 53.362 52.037 0.008 0.000 0.679 533 A CB -0.285 18.719 19.000 0.007 0.000 0.795 533 A HN 0.610 nan 8.150 nan 0.000 0.458 534 G N -0.803 108.000 108.800 0.006 0.000 2.484 534 G HA2 0.173 4.044 3.960 -0.148 0.000 0.218 534 G HA3 0.173 4.044 3.960 -0.148 0.000 0.218 534 G C 0.499 175.400 174.900 0.002 0.000 1.130 534 G CA 0.745 45.847 45.100 0.004 0.000 0.784 534 G HN 0.280 nan 8.290 nan 0.000 0.543 535 V N 1.760 121.676 119.914 0.003 0.000 2.368 535 V HA 0.576 4.607 4.120 -0.148 0.000 0.266 535 V C 0.734 176.825 176.094 -0.006 0.000 1.045 535 V CA -1.040 61.258 62.300 -0.003 0.000 0.899 535 V CB 0.539 32.360 31.823 -0.003 0.000 1.006 535 V HN 0.391 nan 8.190 nan 0.000 0.470 536 A N 4.202 127.018 122.820 -0.008 0.000 2.462 536 A HA 0.501 4.733 4.320 -0.148 0.000 0.243 536 A C 0.565 178.144 177.584 -0.008 0.000 1.076 536 A CA 0.062 52.096 52.037 -0.005 0.000 0.773 536 A CB 0.526 19.524 19.000 -0.004 0.000 1.010 536 A HN 0.865 nan 8.150 nan 0.000 0.493 537 S N 2.151 117.850 115.700 -0.002 0.000 2.395 537 S HA 0.507 4.888 4.470 -0.148 0.000 0.207 537 S C -0.982 173.624 174.600 0.010 0.000 1.454 537 S CA -0.471 57.728 58.200 -0.001 0.000 1.211 537 S CB -0.141 63.059 63.200 0.000 0.000 1.093 537 S HN 0.669 nan 8.310 nan 0.000 0.472 538 V N 5.718 125.639 119.914 0.012 0.000 2.555 538 V HA 0.521 4.553 4.120 -0.148 0.000 0.302 538 V C -2.230 173.885 176.094 0.035 0.000 1.038 538 V CA -2.109 60.205 62.300 0.023 0.000 0.887 538 V CB 1.594 33.429 31.823 0.021 0.000 0.991 538 V HN 0.615 nan 8.190 nan 0.000 0.434 539 P HA 0.111 nan 4.420 nan 0.000 0.262 539 P C -0.187 177.168 177.300 0.092 0.000 1.182 539 P CA 0.108 63.253 63.100 0.074 0.000 0.761 539 P CB 0.289 32.040 31.700 0.085 0.000 0.795 540 R N 1.410 121.972 120.500 0.104 0.000 2.570 540 R HA 0.175 4.426 4.340 -0.148 0.000 0.277 540 R C 1.072 177.513 176.300 0.235 0.000 1.039 540 R CA 0.172 56.352 56.100 0.134 0.000 1.065 540 R CB 0.109 30.462 30.300 0.090 0.000 0.964 540 R HN 0.422 nan 8.270 nan 0.000 0.428 541 T N 0.858 115.531 114.554 0.199 0.000 2.754 541 T HA 0.091 4.352 4.350 -0.148 0.000 0.286 541 T C 0.253 175.109 174.700 0.260 0.000 0.997 541 T CA -0.423 61.785 62.100 0.180 0.000 0.982 541 T CB 0.671 69.607 68.868 0.113 0.000 1.027 541 T HN 0.517 nan 8.240 nan 0.000 0.529 542 S N 1.538 117.298 115.700 0.100 0.000 2.572 542 S HA 0.477 4.858 4.470 -0.148 0.000 0.279 542 S C -0.999 173.674 174.600 0.121 0.000 1.341 542 S CA -0.217 57.976 58.200 -0.011 0.000 1.043 542 S CB -0.064 63.049 63.200 -0.145 0.000 0.887 542 S HN 0.663 nan 8.310 nan 0.000 0.516 543 Y N -0.495 119.846 120.300 0.069 0.000 2.656 543 Y HA 0.744 5.205 4.550 -0.148 0.000 0.334 543 Y C -1.641 174.274 175.900 0.024 0.000 1.179 543 Y CA -1.530 56.594 58.100 0.039 0.000 1.050 543 Y CB 1.092 39.581 38.460 0.049 0.000 1.308 543 Y HN 0.525 nan 8.280 nan 0.000 0.456 544 L N 2.499 123.865 121.223 0.239 0.000 2.596 544 L HA 0.604 4.855 4.340 -0.148 0.000 0.265 544 L C -1.537 175.349 176.870 0.025 0.000 0.962 544 L CA -0.265 54.645 54.840 0.117 0.000 0.891 544 L CB 1.800 43.877 42.059 0.029 0.000 1.248 544 L HN 0.835 nan 8.230 nan 0.000 0.410 545 S N 3.280 118.940 115.700 -0.065 0.000 2.442 545 S HA 0.686 5.067 4.470 -0.148 0.000 0.297 545 S C 0.081 174.348 174.600 -0.555 0.000 1.131 545 S CA -0.432 57.509 58.200 -0.432 0.000 1.092 545 S CB 1.676 64.389 63.200 -0.811 0.000 0.998 545 S HN 0.658 nan 8.310 nan 0.000 0.478 546 A N 3.263 125.800 122.820 -0.471 0.000 2.582 546 A HA 0.558 4.790 4.320 -0.148 0.000 0.336 546 A C -0.550 176.832 177.584 -0.336 0.000 1.445 546 A CA -0.529 51.305 52.037 -0.338 0.000 0.997 546 A CB -0.614 18.230 19.000 -0.260 0.000 1.148 546 A HN 0.683 nan 8.150 nan 0.000 0.514 547 F N 2.216 122.127 119.950 -0.065 0.000 2.659 547 F HA 0.124 4.563 4.527 -0.147 0.000 0.360 547 F C 1.363 177.105 175.800 -0.098 0.000 1.218 547 F CA -0.626 57.334 58.000 -0.068 0.000 1.317 547 F CB -0.415 38.553 39.000 -0.053 0.000 1.697 547 F HN 0.561 nan 8.300 nan 0.000 0.637 548 N N 0.957 119.655 118.700 -0.004 0.000 2.223 548 N HA -0.148 4.503 4.740 -0.148 0.000 0.185 548 N C 1.753 177.242 175.510 -0.035 0.000 1.016 548 N CA 0.910 53.937 53.050 -0.039 0.000 0.863 548 N CB 0.138 38.543 38.487 -0.138 0.000 0.983 548 N HN 0.271 nan 8.380 nan 0.000 0.429 549 K N 0.889 121.235 120.400 -0.090 0.000 2.504 549 K HA 0.001 4.233 4.320 -0.148 0.000 0.195 549 K C 1.550 177.955 176.600 -0.325 0.000 1.036 549 K CA 0.431 56.538 56.287 -0.300 0.000 0.984 549 K CB -0.071 32.041 32.500 -0.646 0.000 0.788 549 K HN 0.495 nan 8.250 nan 0.000 0.488 550 M N -1.905 117.604 119.600 -0.152 0.000 2.511 550 M HA 0.268 4.659 4.480 -0.148 0.000 0.387 550 M C -1.104 175.183 176.300 -0.021 0.000 1.112 550 M CA -0.162 55.068 55.300 -0.116 0.000 0.921 550 M CB 0.612 33.126 32.600 -0.144 0.000 1.501 550 M HN -0.216 nan 8.290 nan 0.000 0.538 551 D N 2.290 122.694 120.400 0.006 0.000 2.686 551 D HA -0.119 4.432 4.640 -0.148 0.000 0.235 551 D C -0.675 175.652 176.300 0.045 0.000 1.160 551 D CA 1.102 55.123 54.000 0.035 0.000 0.645 551 D CB -0.466 40.371 40.800 0.062 0.000 1.039 551 D HN 0.508 nan 8.370 nan 0.000 0.423 552 K N -0.253 120.192 120.400 0.075 0.000 2.443 552 K HA 0.679 4.910 4.320 -0.148 0.000 0.251 552 K C 0.058 176.732 176.600 0.124 0.000 0.972 552 K CA -0.530 55.809 56.287 0.087 0.000 0.833 552 K CB 2.215 34.776 32.500 0.103 0.000 1.317 552 K HN -0.123 nan 8.250 nan 0.000 0.441 553 T N 0.464 115.055 114.554 0.062 0.000 2.971 553 T HA 0.607 4.869 4.350 -0.148 0.000 0.304 553 T C -1.279 173.462 174.700 0.069 0.000 1.038 553 T CA -0.673 61.441 62.100 0.023 0.000 1.007 553 T CB 1.717 70.572 68.868 -0.023 0.000 1.055 553 T HN 0.602 nan 8.240 nan 0.000 0.451 554 A N 3.901 126.774 122.820 0.088 0.000 2.331 554 A HA 0.897 5.128 4.320 -0.148 0.000 0.320 554 A C -0.563 177.144 177.584 0.204 0.000 1.138 554 A CA -0.767 51.381 52.037 0.185 0.000 0.790 554 A CB 1.174 20.350 19.000 0.292 0.000 1.206 554 A HN 0.863 nan 8.150 nan 0.000 0.470 555 M N 2.830 122.571 119.600 0.235 0.000 2.457 555 M HA 0.707 5.098 4.480 -0.148 0.000 0.300 555 M C -2.329 173.962 176.300 -0.015 0.000 1.141 555 M CA -0.664 54.710 55.300 0.123 0.000 0.901 555 M CB 2.125 34.875 32.600 0.249 0.000 1.687 555 M HN 0.796 nan 8.290 nan 0.000 0.449 556 Y N 3.838 123.812 120.300 -0.543 0.000 2.401 556 Y HA 0.437 4.899 4.550 -0.147 0.000 0.330 556 Y C -1.701 173.834 175.900 -0.607 0.000 1.071 556 Y CA -0.929 56.769 58.100 -0.671 0.000 1.049 556 Y CB 1.398 39.196 38.460 -1.102 0.000 1.239 556 Y HN 0.767 nan 8.280 nan 0.000 0.437 557 N N 4.406 122.242 118.700 -1.440 0.000 2.476 557 N HA 0.403 5.054 4.740 -0.148 0.000 0.257 557 N C 0.007 174.771 175.510 -1.244 0.000 0.970 557 N CA 0.542 52.903 53.050 -1.148 0.000 0.938 557 N CB 1.964 39.746 38.487 -1.175 0.000 1.144 557 N HN 0.898 nan 8.380 nan 0.000 0.500 558 A N 3.394 125.733 122.820 -0.801 0.000 2.016 558 A HA -0.067 4.165 4.320 -0.148 0.000 0.217 558 A C 1.807 179.271 177.584 -0.200 0.000 1.162 558 A CA 0.928 52.728 52.037 -0.395 0.000 0.662 558 A CB -0.312 18.660 19.000 -0.047 0.000 0.812 558 A HN 0.833 nan 8.150 nan 0.000 0.450 559 E N 0.207 120.291 120.200 -0.193 0.000 2.051 559 E HA -0.189 4.072 4.350 -0.148 0.000 0.192 559 E C 1.611 178.177 176.600 -0.057 0.000 0.991 559 E CA 1.414 57.759 56.400 -0.092 0.000 0.799 559 E CB -0.073 29.581 29.700 -0.077 0.000 0.748 559 E HN 0.578 nan 8.360 nan 0.000 0.449 560 K N -1.197 119.158 120.400 -0.075 0.000 2.361 560 K HA 0.126 4.357 4.320 -0.148 0.000 0.194 560 K C 0.526 177.172 176.600 0.076 0.000 1.032 560 K CA 0.486 56.802 56.287 0.048 0.000 1.048 560 K CB 0.935 33.543 32.500 0.180 0.000 0.842 560 K HN 0.280 nan 8.250 nan 0.000 0.526 561 G N 2.596 111.347 108.800 -0.081 0.000 2.341 561 G HA2 -0.235 3.636 3.960 -0.148 0.000 0.278 561 G HA3 -0.235 3.636 3.960 -0.148 0.000 0.278 561 G C -0.376 174.631 174.900 0.178 0.000 1.111 561 G CA 0.215 45.321 45.100 0.011 0.000 0.982 561 G HN 0.330 nan 8.290 nan 0.000 0.502 562 F N -1.126 118.807 119.950 -0.029 0.000 2.613 562 F HA 0.869 5.308 4.527 -0.148 0.000 0.310 562 F C 0.189 176.125 175.800 0.226 0.000 1.085 562 F CA -1.357 56.730 58.000 0.146 0.000 0.945 562 F CB 1.073 40.138 39.000 0.108 0.000 1.298 562 F HN 0.446 nan 8.300 nan 0.000 0.455 563 G N 1.146 110.331 108.800 0.641 0.000 2.489 563 G HA2 0.660 4.531 3.960 -0.148 0.000 0.327 563 G HA3 0.660 4.531 3.960 -0.148 0.000 0.327 563 G C -2.490 172.901 174.900 0.817 0.000 1.189 563 G CA -0.882 44.586 45.100 0.613 0.000 0.962 563 G HN 0.853 nan 8.290 nan 0.000 0.486 564 F N 0.351 120.598 119.950 0.494 0.000 2.574 564 F HA 0.677 5.116 4.527 -0.148 0.000 0.313 564 F C -0.074 175.959 175.800 0.388 0.000 1.130 564 F CA -0.793 57.492 58.000 0.475 0.000 0.936 564 F CB 2.175 41.429 39.000 0.423 0.000 1.219 564 F HN 0.755 nan 8.300 nan 0.000 0.445 565 G N 5.392 114.047 108.800 -0.242 0.000 2.590 565 G HA2 0.578 4.450 3.960 -0.148 0.000 0.310 565 G HA3 0.578 4.450 3.960 -0.148 0.000 0.310 565 G C -2.547 172.075 174.900 -0.463 0.000 1.347 565 G CA -0.716 44.265 45.100 -0.199 0.000 0.963 565 G HN 0.682 nan 8.290 nan 0.000 0.494 566 L N 2.297 123.309 121.223 -0.351 0.000 2.319 566 L HA 0.699 4.950 4.340 -0.148 0.000 0.281 566 L C 0.126 176.903 176.870 -0.155 0.000 1.005 566 L CA -0.647 53.980 54.840 -0.356 0.000 0.828 566 L CB 1.906 43.703 42.059 -0.436 0.000 1.227 566 L HN 0.386 nan 8.230 nan 0.000 0.415 567 S N 6.125 121.799 115.700 -0.042 0.000 2.423 567 S HA 0.750 5.131 4.470 -0.148 0.000 0.317 567 S C -0.458 174.193 174.600 0.085 0.000 1.065 567 S CA -0.543 57.694 58.200 0.061 0.000 1.111 567 S CB -0.169 63.150 63.200 0.199 0.000 0.968 567 S HN 0.599 nan 8.310 nan 0.000 0.474 568 L N 3.795 125.078 121.223 0.100 0.000 2.171 568 L HA 0.864 5.115 4.340 -0.148 0.000 0.253 568 L C -0.758 176.336 176.870 0.373 0.000 1.054 568 L CA -1.310 53.663 54.840 0.221 0.000 0.927 568 L CB 1.381 43.491 42.059 0.086 0.000 1.513 568 L HN 0.703 nan 8.230 nan 0.000 0.471 569 F N -1.175 118.855 119.950 0.132 0.000 2.741 569 F HA 0.777 5.215 4.527 -0.148 0.000 0.311 569 F C -0.698 175.185 175.800 0.139 0.000 1.149 569 F CA -0.600 57.472 58.000 0.119 0.000 0.930 569 F CB 1.094 40.178 39.000 0.141 0.000 1.312 569 F HN 0.561 nan 8.300 nan 0.000 0.450 570 S N -0.315 115.358 115.700 -0.045 0.000 3.121 570 S HA 0.448 4.829 4.470 -0.148 0.000 0.324 570 S C 0.349 174.936 174.600 -0.023 0.000 1.192 570 S CA -0.005 58.105 58.200 -0.150 0.000 0.937 570 S CB 0.598 63.772 63.200 -0.044 0.000 1.336 570 S HN 1.461 nan 8.310 nan 0.000 0.664 571 S N 0.222 115.921 115.700 -0.003 0.000 2.515 571 S HA 0.052 4.433 4.470 -0.148 0.000 0.231 571 S C 1.352 175.987 174.600 0.058 0.000 0.987 571 S CA 0.282 58.507 58.200 0.041 0.000 0.936 571 S CB -0.570 62.647 63.200 0.030 0.000 0.766 571 S HN 0.643 nan 8.310 nan 0.000 0.528 572 R N 1.346 121.876 120.500 0.049 0.000 2.280 572 R HA 0.171 4.422 4.340 -0.148 0.000 0.195 572 R C 0.257 176.589 176.300 0.052 0.000 0.935 572 R CA 0.905 57.029 56.100 0.041 0.000 1.033 572 R CB 0.257 30.567 30.300 0.016 0.000 0.964 572 R HN 0.629 nan 8.270 nan 0.000 0.489 573 T N -2.120 112.498 114.554 0.106 0.000 2.903 573 T HA 0.415 4.676 4.350 -0.148 0.000 0.299 573 T C -0.781 174.053 174.700 0.223 0.000 1.093 573 T CA -0.947 61.227 62.100 0.123 0.000 1.002 573 T CB 1.887 70.818 68.868 0.106 0.000 1.127 573 T HN -0.128 nan 8.240 nan 0.000 0.488 574 L N 2.965 124.258 121.223 0.116 0.000 2.371 574 L HA 0.360 4.612 4.340 -0.148 0.000 0.272 574 L C 1.510 178.362 176.870 -0.031 0.000 1.124 574 L CA -0.228 54.649 54.840 0.062 0.000 0.816 574 L CB 0.660 42.701 42.059 -0.030 0.000 1.129 574 L HN 0.893 nan 8.230 nan 0.000 0.448 575 N N 2.551 121.074 118.700 -0.296 0.000 2.135 575 N HA -0.102 4.549 4.740 -0.148 0.000 0.186 575 N C -0.430 174.999 175.510 -0.136 0.000 1.027 575 N CA 1.558 54.233 53.050 -0.625 0.000 0.849 575 N CB -0.423 37.249 38.487 -1.358 0.000 1.002 575 N HN 0.582 nan 8.380 nan 0.000 0.425 576 Y N -2.430 117.733 120.300 -0.229 0.000 2.571 576 Y HA 0.613 5.074 4.550 -0.148 0.000 0.341 576 Y C -1.239 174.598 175.900 -0.106 0.000 1.076 576 Y CA -1.742 56.256 58.100 -0.171 0.000 1.029 576 Y CB 0.896 39.253 38.460 -0.173 0.000 1.308 576 Y HN 0.049 nan 8.280 nan 0.000 0.461 577 E N 2.810 122.912 120.200 -0.162 0.000 2.133 577 E HA 0.220 4.481 4.350 -0.148 0.000 0.274 577 E C -1.685 174.895 176.600 -0.033 0.000 0.930 577 E CA -0.700 55.603 56.400 -0.162 0.000 0.770 577 E CB 0.658 30.352 29.700 -0.010 0.000 1.104 577 E HN 0.890 nan 8.360 nan 0.000 0.403 578 H N 7.079 126.011 119.070 -0.230 0.000 2.792 578 H HA 0.397 4.865 4.556 -0.148 0.000 0.298 578 H C -0.972 174.322 175.328 -0.057 0.000 1.042 578 H CA -0.845 55.153 56.048 -0.084 0.000 1.300 578 H CB 0.547 30.290 29.762 -0.032 0.000 1.431 578 H HN 0.607 nan 8.280 nan 0.000 0.496 579 M N 2.851 122.446 119.600 -0.007 0.000 2.569 579 M HA 0.373 4.764 4.480 -0.148 0.000 0.279 579 M C -0.831 175.465 176.300 -0.006 0.000 1.253 579 M CA -0.868 54.369 55.300 -0.105 0.000 0.867 579 M CB 1.971 34.540 32.600 -0.051 0.000 1.727 579 M HN 0.440 nan 8.290 nan 0.000 0.467 580 N N 1.237 119.921 118.700 -0.028 0.000 2.725 580 N HA -0.191 4.461 4.740 -0.148 0.000 0.249 580 N C -0.883 174.653 175.510 0.043 0.000 1.103 580 N CA 1.555 54.611 53.050 0.009 0.000 0.707 580 N CB -1.217 37.271 38.487 0.002 0.000 1.043 580 N HN 0.995 nan 8.380 nan 0.000 0.553 581 K N -2.127 118.322 120.400 0.081 0.000 3.281 581 K HA -0.239 3.992 4.320 -0.148 0.000 0.295 581 K C -0.579 176.120 176.600 0.166 0.000 1.233 581 K CA 1.329 57.720 56.287 0.174 0.000 0.866 581 K CB -1.081 31.480 32.500 0.102 0.000 1.265 581 K HN 0.556 nan 8.250 nan 0.000 0.482 582 E N 0.801 121.112 120.200 0.184 0.000 2.195 582 E HA 0.279 4.540 4.350 -0.148 0.000 0.271 582 E C -0.094 176.567 176.600 0.102 0.000 0.923 582 E CA -1.069 55.393 56.400 0.103 0.000 0.790 582 E CB 1.175 30.906 29.700 0.051 0.000 1.155 582 E HN 0.199 nan 8.360 nan 0.000 0.402 583 N N 1.909 120.590 118.700 -0.032 0.000 2.771 583 N HA -0.180 4.471 4.740 -0.148 0.000 0.249 583 N C -0.066 175.265 175.510 -0.298 0.000 1.069 583 N CA 0.563 53.532 53.050 -0.135 0.000 0.688 583 N CB -0.715 37.735 38.487 -0.062 0.000 0.928 583 N HN 0.543 nan 8.380 nan 0.000 0.551 584 K N -0.113 120.019 120.400 -0.446 0.000 2.280 584 K HA -0.023 4.208 4.320 -0.148 0.000 0.202 584 K C 0.655 176.760 176.600 -0.826 0.000 1.047 584 K CA 1.018 56.878 56.287 -0.712 0.000 0.942 584 K CB 0.079 32.318 32.500 -0.436 0.000 0.739 584 K HN 0.393 nan 8.250 nan 0.000 0.457 585 R N -0.282 119.630 120.500 -0.980 0.000 2.727 585 R HA 0.113 4.364 4.340 -0.148 0.000 0.410 585 R C 0.715 176.088 176.300 -1.546 0.000 1.101 585 R CA -0.234 54.766 56.100 -1.835 0.000 1.045 585 R CB 1.191 30.623 30.300 -1.447 0.000 1.380 585 R HN 0.058 nan 8.270 nan 0.000 0.587 586 G N -0.033 108.047 108.800 -1.199 0.000 3.314 586 G HA2 -0.065 3.806 3.960 -0.148 0.000 0.238 586 G HA3 -0.065 3.806 3.960 -0.148 0.000 0.238 586 G C 0.717 174.869 174.900 -1.246 0.000 1.184 586 G CA -0.386 44.197 45.100 -0.862 0.000 0.806 586 G HN 0.317 nan 8.290 nan 0.000 0.536 587 W N 0.654 121.077 121.300 -1.463 0.000 2.277 587 W HA -0.212 4.360 4.660 -0.147 0.000 0.327 587 W C 1.052 177.039 176.519 -0.886 0.000 1.284 587 W CA 0.972 57.393 57.345 -1.541 0.000 1.277 587 W CB -0.975 27.557 29.460 -1.547 0.000 1.141 587 W HN 0.399 nan 8.180 nan 0.000 0.482 588 Y N 0.348 120.608 120.300 -0.068 0.000 2.555 588 Y HA 0.096 4.557 4.550 -0.148 0.000 0.259 588 Y C 2.237 178.174 175.900 0.062 0.000 1.179 588 Y CA 0.482 58.622 58.100 0.066 0.000 1.230 588 Y CB -1.323 37.216 38.460 0.133 0.000 1.146 588 Y HN -0.092 nan 8.280 nan 0.000 0.526 589 T N -4.408 110.202 114.554 0.093 0.000 3.098 589 T HA -0.067 4.194 4.350 -0.148 0.000 0.266 589 T C 1.282 176.088 174.700 0.177 0.000 1.145 589 T CA 1.348 63.535 62.100 0.144 0.000 1.092 589 T CB -0.173 68.747 68.868 0.088 0.000 0.908 589 T HN 0.148 nan 8.240 nan 0.000 0.526 590 S N 0.574 116.382 115.700 0.180 0.000 2.819 590 S HA 0.214 4.596 4.470 -0.148 0.000 0.249 590 S C -0.156 174.709 174.600 0.442 0.000 1.030 590 S CA -0.484 57.860 58.200 0.241 0.000 1.052 590 S CB 0.384 63.663 63.200 0.132 0.000 1.017 590 S HN 0.333 nan 8.310 nan 0.000 0.576 591 D N 2.175 122.827 120.400 0.420 0.000 2.870 591 D HA 0.376 4.927 4.640 -0.148 0.000 0.241 591 D C 1.136 177.579 176.300 0.239 0.000 1.234 591 D CA 0.328 54.602 54.000 0.458 0.000 0.844 591 D CB -0.315 40.737 40.800 0.421 0.000 1.051 591 D HN 0.455 nan 8.370 nan 0.000 0.469 592 G N 1.214 110.203 108.800 0.316 0.000 2.171 592 G HA2 -0.304 3.568 3.960 -0.148 0.000 0.238 592 G HA3 -0.304 3.568 3.960 -0.148 0.000 0.238 592 G C 0.304 175.427 174.900 0.371 0.000 1.039 592 G CA 0.050 45.370 45.100 0.367 0.000 0.759 592 G HN 0.410 nan 8.290 nan 0.000 0.501 593 M N 0.419 120.172 119.600 0.256 0.000 2.233 593 M HA 0.686 5.077 4.480 -0.148 0.000 0.350 593 M C 0.347 176.770 176.300 0.206 0.000 1.176 593 M CA -0.685 54.748 55.300 0.221 0.000 1.150 593 M CB 0.322 32.992 32.600 0.116 0.000 1.530 593 M HN 0.589 nan 8.290 nan 0.000 0.459 594 F N 3.055 123.042 119.950 0.062 0.000 2.579 594 F HA 0.733 5.171 4.527 -0.148 0.000 0.324 594 F C -2.331 173.400 175.800 -0.115 0.000 1.058 594 F CA -1.048 56.951 58.000 -0.002 0.000 0.944 594 F CB 0.898 40.081 39.000 0.306 0.000 1.245 594 F HN 0.483 nan 8.300 nan 0.000 0.477 595 Y N 2.355 122.501 120.300 -0.256 0.000 2.446 595 Y HA 0.673 5.134 4.550 -0.148 0.000 0.345 595 Y C -1.148 174.689 175.900 -0.106 0.000 0.984 595 Y CA -1.146 56.725 58.100 -0.382 0.000 1.058 595 Y CB 2.172 40.316 38.460 -0.526 0.000 1.220 595 Y HN 0.796 nan 8.280 nan 0.000 0.455 596 L N 3.563 124.787 121.223 0.001 0.000 2.376 596 L HA 0.557 4.808 4.340 -0.148 0.000 0.275 596 L C -2.094 174.730 176.870 -0.077 0.000 0.987 596 L CA -0.912 54.033 54.840 0.176 0.000 0.828 596 L CB 0.624 42.825 42.059 0.237 0.000 1.249 596 L HN 0.479 nan 8.230 nan 0.000 0.409 597 Y N 5.430 125.948 120.300 0.363 0.000 2.369 597 Y HA 0.497 4.958 4.550 -0.148 0.000 0.337 597 Y C 0.358 176.429 175.900 0.286 0.000 0.961 597 Y CA -0.511 57.771 58.100 0.303 0.000 1.186 597 Y CB 0.761 39.392 38.460 0.284 0.000 1.139 597 Y HN 0.794 nan 8.280 nan 0.000 0.494 598 N N -0.035 118.830 118.700 0.275 0.000 3.369 598 N HA 0.349 5.001 4.740 -0.148 0.000 0.362 598 N C 1.389 177.011 175.510 0.187 0.000 1.523 598 N CA -0.326 52.861 53.050 0.229 0.000 0.684 598 N CB -0.234 38.327 38.487 0.124 0.000 1.796 598 N HN 0.472 nan 8.380 nan 0.000 0.641 599 G N -1.352 107.530 108.800 0.137 0.000 2.499 599 G HA2 -0.209 3.662 3.960 -0.148 0.000 0.221 599 G HA3 -0.209 3.662 3.960 -0.148 0.000 0.221 599 G C -0.016 174.930 174.900 0.077 0.000 1.109 599 G CA 1.179 46.343 45.100 0.107 0.000 0.749 599 G HN 0.726 nan 8.290 nan 0.000 0.568 600 D N 0.208 120.640 120.400 0.054 0.000 2.494 600 D HA 0.260 4.812 4.640 -0.148 0.000 0.217 600 D C 1.418 177.729 176.300 0.018 0.000 1.153 600 D CA -0.551 53.453 54.000 0.007 0.000 0.954 600 D CB 0.457 41.247 40.800 -0.017 0.000 1.034 600 D HN -0.106 nan 8.370 nan 0.000 0.518 601 L N 2.417 123.647 121.223 0.013 0.000 2.362 601 L HA -0.077 4.175 4.340 -0.148 0.000 0.219 601 L C 2.304 179.033 176.870 -0.234 0.000 1.134 601 L CA 1.155 56.029 54.840 0.058 0.000 0.807 601 L CB -0.733 41.402 42.059 0.127 0.000 0.927 601 L HN 0.457 nan 8.230 nan 0.000 0.447 602 S N -2.635 112.735 115.700 -0.550 0.000 2.575 602 S HA -0.099 4.283 4.470 -0.148 0.000 0.215 602 S C 1.995 176.405 174.600 -0.317 0.000 0.966 602 S CA -0.111 57.620 58.200 -0.782 0.000 0.911 602 S CB -0.665 62.102 63.200 -0.722 0.000 0.780 602 S HN 0.508 nan 8.310 nan 0.000 0.514 603 H N 1.327 120.203 119.070 -0.324 0.000 2.289 603 H HA -0.201 4.266 4.556 -0.148 0.000 0.294 603 H C 0.494 175.430 175.328 -0.652 0.000 1.095 603 H CA 2.265 58.018 56.048 -0.493 0.000 1.256 603 H CB -0.363 28.995 29.762 -0.673 0.000 1.359 603 H HN 0.627 nan 8.280 nan 0.000 0.487 604 Y N 0.437 120.627 120.300 -0.184 0.000 2.470 604 Y HA 0.196 4.657 4.550 -0.148 0.000 0.284 604 Y C 1.136 177.034 175.900 -0.004 0.000 1.188 604 Y CA -0.174 57.691 58.100 -0.392 0.000 1.269 604 Y CB 0.480 38.838 38.460 -0.169 0.000 1.094 604 Y HN 0.002 nan 8.280 nan 0.000 0.518 605 S N -1.333 114.442 115.700 0.124 0.000 2.795 605 S HA 0.233 4.615 4.470 -0.148 0.000 0.308 605 S C -0.351 174.380 174.600 0.217 0.000 1.098 605 S CA -0.738 57.622 58.200 0.267 0.000 0.934 605 S CB 0.719 64.094 63.200 0.293 0.000 1.300 605 S HN 0.226 nan 8.310 nan 0.000 0.566 606 D N 0.527 121.103 120.400 0.293 0.000 2.708 606 D HA -0.128 4.423 4.640 -0.148 0.000 0.236 606 D C 0.704 177.142 176.300 0.230 0.000 1.146 606 D CA 1.516 55.662 54.000 0.243 0.000 0.662 606 D CB -1.593 39.293 40.800 0.143 0.000 1.059 606 D HN 1.141 nan 8.370 nan 0.000 0.428 607 G N -1.140 107.883 108.800 0.372 0.000 2.132 607 G HA2 -0.449 3.422 3.960 -0.148 0.000 0.234 607 G HA3 -0.449 3.422 3.960 -0.148 0.000 0.234 607 G C 0.588 175.477 174.900 -0.019 0.000 0.989 607 G CA 0.722 45.940 45.100 0.197 0.000 0.676 607 G HN 0.495 nan 8.290 nan 0.000 0.522 608 Y N -0.156 120.101 120.300 -0.072 0.000 2.070 608 Y HA -0.071 4.390 4.550 -0.148 0.000 0.280 608 Y C 2.571 178.261 175.900 -0.351 0.000 1.148 608 Y CA 2.705 60.679 58.100 -0.209 0.000 1.125 608 Y CB -0.408 37.843 38.460 -0.348 0.000 0.975 608 Y HN 0.340 nan 8.280 nan 0.000 0.492 609 W N 1.103 122.326 121.300 -0.129 0.000 2.342 609 W HA -0.155 4.416 4.660 -0.148 0.000 0.297 609 W C -0.438 175.718 176.519 -0.604 0.000 1.213 609 W CA 1.406 58.543 57.345 -0.347 0.000 1.251 609 W CB -1.440 27.962 29.460 -0.097 0.000 1.136 609 W HN 0.239 nan 8.180 nan 0.000 0.526 610 P HA 0.058 nan 4.420 nan 0.000 0.251 610 P C 0.962 178.001 177.300 -0.434 0.000 1.223 610 P CA 1.573 64.292 63.100 -0.635 0.000 0.796 610 P CB 0.288 31.351 31.700 -1.061 0.000 1.068 611 T N -4.342 109.964 114.554 -0.414 0.000 2.985 611 T HA 0.140 4.402 4.350 -0.148 0.000 0.254 611 T C 0.702 175.043 174.700 -0.599 0.000 1.021 611 T CA -0.143 61.767 62.100 -0.316 0.000 0.957 611 T CB -0.584 68.251 68.868 -0.054 0.000 1.047 611 T HN -0.126 nan 8.240 nan 0.000 0.511 612 V N 3.480 122.900 119.914 -0.822 0.000 2.740 612 V HA 0.303 4.334 4.120 -0.148 0.000 0.303 612 V C 0.102 175.779 176.094 -0.695 0.000 1.054 612 V CA -0.683 60.927 62.300 -1.149 0.000 1.106 612 V CB 0.590 31.661 31.823 -1.253 0.000 0.957 612 V HN 0.531 nan 8.190 nan 0.000 0.486 613 N N 8.563 126.898 118.700 -0.608 0.000 2.399 613 N HA 0.213 4.864 4.740 -0.148 0.000 0.259 613 N C -1.296 174.123 175.510 -0.151 0.000 1.160 613 N CA -1.799 51.089 53.050 -0.270 0.000 0.946 613 N CB 1.328 39.705 38.487 -0.184 0.000 1.156 613 N HN 0.505 nan 8.380 nan 0.000 0.489 614 P HA -0.143 nan 4.420 nan 0.000 0.223 614 P C 0.451 177.784 177.300 0.055 0.000 1.144 614 P CA 1.186 64.199 63.100 -0.144 0.000 0.783 614 P CB 0.030 31.495 31.700 -0.392 0.000 0.771 615 Y N 0.484 120.914 120.300 0.217 0.000 2.544 615 Y HA 0.108 4.570 4.550 -0.148 0.000 0.286 615 Y C 1.423 177.422 175.900 0.166 0.000 1.141 615 Y CA 0.728 59.005 58.100 0.296 0.000 1.299 615 Y CB 0.045 38.610 38.460 0.175 0.000 1.030 615 Y HN -0.091 nan 8.280 nan 0.000 0.543 616 K N 0.272 120.789 120.400 0.195 0.000 3.163 616 K HA 0.226 4.457 4.320 -0.148 0.000 0.186 616 K C -0.715 175.913 176.600 0.047 0.000 1.111 616 K CA -0.339 56.002 56.287 0.090 0.000 0.918 616 K CB 0.415 32.936 32.500 0.034 0.000 1.059 616 K HN -0.050 nan 8.250 nan 0.000 0.558 617 M N 2.992 122.647 119.600 0.091 0.000 2.238 617 M HA 0.097 4.488 4.480 -0.148 0.000 0.350 617 M C -2.130 174.205 176.300 0.059 0.000 1.321 617 M CA -2.864 52.472 55.300 0.059 0.000 1.097 617 M CB -0.644 32.032 32.600 0.128 0.000 1.713 617 M HN 0.098 nan 8.290 nan 0.000 0.455 618 P HA 0.022 nan 4.420 nan 0.000 0.258 618 P C 0.847 178.333 177.300 0.310 0.000 1.172 618 P CA 1.097 64.218 63.100 0.035 0.000 0.762 618 P CB 0.299 31.783 31.700 -0.360 0.000 0.764 619 G N 2.351 111.444 108.800 0.488 0.000 2.217 619 G HA2 -0.228 3.643 3.960 -0.148 0.000 0.246 619 G HA3 -0.228 3.643 3.960 -0.148 0.000 0.246 619 G C 0.306 175.443 174.900 0.396 0.000 0.990 619 G CA 0.357 45.828 45.100 0.618 0.000 0.627 619 G HN 0.885 nan 8.290 nan 0.000 0.522 620 T N -0.515 114.185 114.554 0.242 0.000 2.910 620 T HA 0.588 4.849 4.350 -0.148 0.000 0.293 620 T C 0.007 174.745 174.700 0.062 0.000 1.015 620 T CA 0.554 62.725 62.100 0.120 0.000 1.094 620 T CB 1.946 70.860 68.868 0.075 0.000 0.968 620 T HN 0.355 nan 8.240 nan 0.000 0.521 621 T N 4.078 118.636 114.554 0.005 0.000 2.756 621 T HA 0.540 4.801 4.350 -0.148 0.000 0.290 621 T C -0.528 174.243 174.700 0.118 0.000 0.985 621 T CA -0.728 61.443 62.100 0.118 0.000 0.955 621 T CB 0.760 69.752 68.868 0.207 0.000 0.930 621 T HN 0.694 nan 8.240 nan 0.000 0.451 622 E N 1.443 121.707 120.200 0.107 0.000 2.458 622 E HA 0.474 4.735 4.350 -0.148 0.000 0.278 622 E C -0.276 176.401 176.600 0.128 0.000 1.004 622 E CA -0.802 55.643 56.400 0.076 0.000 0.823 622 E CB 1.508 31.050 29.700 -0.262 0.000 1.396 622 E HN 0.639 nan 8.360 nan 0.000 0.463 623 T N -2.211 112.443 114.554 0.166 0.000 2.897 623 T HA 0.312 4.573 4.350 -0.148 0.000 0.278 623 T C 0.458 175.253 174.700 0.158 0.000 0.981 623 T CA -0.622 61.575 62.100 0.161 0.000 0.973 623 T CB 0.682 69.658 68.868 0.180 0.000 1.092 623 T HN 0.454 nan 8.240 nan 0.000 0.543 624 D N -0.553 119.914 120.400 0.113 0.000 2.395 624 D HA 0.268 4.819 4.640 -0.148 0.000 0.226 624 D C 0.692 177.022 176.300 0.049 0.000 1.146 624 D CA -0.564 53.475 54.000 0.065 0.000 0.830 624 D CB -0.718 40.077 40.800 -0.009 0.000 0.958 624 D HN 0.766 nan 8.370 nan 0.000 0.501 625 A N 1.515 124.429 122.820 0.158 0.000 2.483 625 A HA 0.268 4.499 4.320 -0.148 0.000 0.238 625 A C 0.962 178.621 177.584 0.126 0.000 1.070 625 A CA -0.535 51.601 52.037 0.164 0.000 0.770 625 A CB 0.364 19.552 19.000 0.313 0.000 1.008 625 A HN 0.314 nan 8.150 nan 0.000 0.497 626 K N 2.017 122.444 120.400 0.045 0.000 2.355 626 K HA 0.321 4.553 4.320 -0.148 0.000 0.270 626 K C -0.631 175.913 176.600 -0.094 0.000 1.003 626 K CA -0.186 56.106 56.287 0.009 0.000 0.957 626 K CB 0.614 33.105 32.500 -0.015 0.000 0.939 626 K HN 0.567 nan 8.250 nan 0.000 0.482 627 R N 0.445 120.770 120.500 -0.293 0.000 2.711 627 R HA 0.480 4.731 4.340 -0.148 0.000 0.284 627 R C -0.712 175.246 176.300 -0.571 0.000 0.968 627 R CA -0.926 54.627 56.100 -0.913 0.000 0.924 627 R CB 1.990 30.934 30.300 -2.259 0.000 1.162 627 R HN 0.868 nan 8.270 nan 0.000 0.465 628 A N 1.078 123.654 122.820 -0.407 0.000 2.306 628 A HA 0.306 4.538 4.320 -0.148 0.000 0.314 628 A C 0.200 177.889 177.584 0.174 0.000 1.164 628 A CA -0.488 51.516 52.037 -0.055 0.000 0.822 628 A CB 0.462 19.453 19.000 -0.014 0.000 1.130 628 A HN 0.616 nan 8.150 nan 0.000 0.496 629 D N 1.134 121.671 120.400 0.228 0.000 2.219 629 D HA -0.115 4.437 4.640 -0.148 0.000 0.205 629 D C 2.087 178.500 176.300 0.189 0.000 0.970 629 D CA 1.914 56.033 54.000 0.198 0.000 0.851 629 D CB -0.047 40.800 40.800 0.079 0.000 0.943 629 D HN 0.622 nan 8.370 nan 0.000 0.488 630 S N -0.153 115.678 115.700 0.218 0.000 2.561 630 S HA -0.054 4.328 4.470 -0.148 0.000 0.225 630 S C 0.594 175.368 174.600 0.290 0.000 0.977 630 S CA -0.190 58.172 58.200 0.270 0.000 0.926 630 S CB 0.005 63.300 63.200 0.158 0.000 0.769 630 S HN -0.055 nan 8.310 nan 0.000 0.533 631 D N 2.668 123.242 120.400 0.290 0.000 2.368 631 D HA 0.403 4.955 4.640 -0.148 0.000 0.240 631 D C 0.643 177.170 176.300 0.378 0.000 1.169 631 D CA 0.742 54.906 54.000 0.273 0.000 0.906 631 D CB 1.003 41.922 40.800 0.197 0.000 1.187 631 D HN 0.511 nan 8.370 nan 0.000 0.435 632 T N -2.546 112.124 114.554 0.193 0.000 2.907 632 T HA 0.698 4.960 4.350 -0.148 0.000 0.290 632 T C 0.557 175.154 174.700 -0.171 0.000 1.066 632 T CA -1.037 61.051 62.100 -0.021 0.000 1.012 632 T CB 1.301 70.120 68.868 -0.082 0.000 1.184 632 T HN 0.266 nan 8.240 nan 0.000 0.522 633 G N 0.770 109.260 108.800 -0.517 0.000 2.664 633 G HA2 0.506 4.378 3.960 -0.148 0.000 0.242 633 G HA3 0.506 4.378 3.960 -0.148 0.000 0.242 633 G C -0.595 174.254 174.900 -0.084 0.000 1.225 633 G CA -0.418 44.426 45.100 -0.427 0.000 0.849 633 G HN 0.720 nan 8.290 nan 0.000 0.581 634 K N -1.069 119.343 120.400 0.019 0.000 2.495 634 K HA 0.515 4.747 4.320 -0.148 0.000 0.268 634 K C -0.292 176.445 176.600 0.229 0.000 1.008 634 K CA -0.702 55.666 56.287 0.135 0.000 0.882 634 K CB 1.858 34.494 32.500 0.227 0.000 1.443 634 K HN 0.531 nan 8.250 nan 0.000 0.447 635 V N -1.281 118.800 119.914 0.279 0.000 2.966 635 V HA 0.542 4.574 4.120 -0.148 0.000 0.317 635 V C -0.001 176.343 176.094 0.418 0.000 1.070 635 V CA -1.150 61.377 62.300 0.379 0.000 1.008 635 V CB 1.321 33.265 31.823 0.202 0.000 1.070 635 V HN 0.622 nan 8.190 nan 0.000 0.457 636 L N 3.645 125.018 121.223 0.250 0.000 2.371 636 L HA 0.501 4.752 4.340 -0.148 0.000 0.272 636 L C -1.676 175.200 176.870 0.010 0.000 1.124 636 L CA -1.220 53.599 54.840 -0.035 0.000 0.816 636 L CB 1.216 42.948 42.059 -0.544 0.000 1.129 636 L HN 0.488 nan 8.230 nan 0.000 0.448 637 P HA -0.084 nan 4.420 nan 0.000 0.217 637 P C -0.147 177.163 177.300 0.017 0.000 1.150 637 P CA 0.849 63.962 63.100 0.022 0.000 0.832 637 P CB 0.217 31.925 31.700 0.013 0.000 0.787 638 S N -1.526 114.179 115.700 0.008 0.000 2.616 638 S HA 0.541 4.922 4.470 -0.148 0.000 0.277 638 S C 0.903 175.522 174.600 0.032 0.000 1.234 638 S CA -0.239 57.984 58.200 0.039 0.000 1.028 638 S CB 0.781 64.032 63.200 0.086 0.000 0.988 638 S HN 0.021 nan 8.310 nan 0.000 0.522 639 A N 3.330 126.186 122.820 0.060 0.000 2.348 639 A HA 0.337 4.568 4.320 -0.148 0.000 0.224 639 A C 0.356 177.985 177.584 0.075 0.000 1.227 639 A CA -0.278 51.787 52.037 0.046 0.000 0.885 639 A CB -0.278 18.744 19.000 0.037 0.000 0.933 639 A HN 0.733 nan 8.150 nan 0.000 0.506 640 F N 1.760 121.666 119.950 -0.073 0.000 2.659 640 F HA 0.427 4.865 4.527 -0.148 0.000 0.360 640 F C -0.467 175.291 175.800 -0.071 0.000 1.218 640 F CA -0.518 57.411 58.000 -0.117 0.000 1.317 640 F CB -0.012 38.888 39.000 -0.167 0.000 1.697 640 F HN -0.086 nan 8.300 nan 0.000 0.637 641 V N 2.183 121.986 119.914 -0.185 0.000 2.623 641 V HA 0.903 4.934 4.120 -0.148 0.000 0.304 641 V C 0.025 176.049 176.094 -0.117 0.000 1.054 641 V CA -0.427 61.796 62.300 -0.129 0.000 0.882 641 V CB 1.248 33.054 31.823 -0.028 0.000 1.002 641 V HN 0.632 nan 8.190 nan 0.000 0.424 642 G N 2.506 111.245 108.800 -0.101 0.000 2.328 642 G HA2 0.557 4.429 3.960 -0.148 0.000 0.295 642 G HA3 0.557 4.429 3.960 -0.148 0.000 0.295 642 G C -1.230 173.673 174.900 0.005 0.000 1.413 642 G CA -0.422 44.694 45.100 0.027 0.000 0.817 642 G HN 0.526 nan 8.290 nan 0.000 0.546 643 T N 0.221 114.764 114.554 -0.018 0.000 2.841 643 T HA 0.644 4.905 4.350 -0.148 0.000 0.283 643 T C -0.370 174.222 174.700 -0.179 0.000 1.000 643 T CA -0.386 61.660 62.100 -0.090 0.000 0.977 643 T CB 1.629 70.427 68.868 -0.116 0.000 0.979 643 T HN 0.786 nan 8.240 nan 0.000 0.446 644 S N 2.637 118.279 115.700 -0.096 0.000 2.520 644 S HA 0.412 4.793 4.470 -0.148 0.000 0.324 644 S C -0.378 174.182 174.600 -0.066 0.000 1.069 644 S CA -0.828 57.313 58.200 -0.099 0.000 1.121 644 S CB 0.103 63.283 63.200 -0.034 0.000 0.971 644 S HN 0.633 nan 8.310 nan 0.000 0.463 645 K N 4.733 125.072 120.400 -0.100 0.000 2.211 645 K HA 0.333 4.564 4.320 -0.148 0.000 0.275 645 K C 0.474 177.061 176.600 -0.020 0.000 1.024 645 K CA -0.701 55.552 56.287 -0.057 0.000 0.887 645 K CB 1.057 33.503 32.500 -0.090 0.000 1.084 645 K HN 0.586 nan 8.250 nan 0.000 0.463 646 L N 3.665 124.896 121.223 0.014 0.000 2.189 646 L HA 0.170 4.421 4.340 -0.148 0.000 0.199 646 L C -0.157 176.724 176.870 0.019 0.000 1.074 646 L CA 1.684 56.542 54.840 0.030 0.000 0.783 646 L CB -0.042 42.055 42.059 0.063 0.000 0.955 646 L HN 0.976 nan 8.230 nan 0.000 0.460 647 D N -3.805 116.606 120.400 0.018 0.000 3.009 647 D HA 0.155 4.706 4.640 -0.148 0.000 0.318 647 D C 0.117 176.424 176.300 0.012 0.000 1.273 647 D CA -0.292 53.717 54.000 0.014 0.000 1.001 647 D CB -0.358 40.453 40.800 0.019 0.000 1.411 647 D HN -0.179 nan 8.370 nan 0.000 0.577 648 D N -0.947 119.463 120.400 0.016 0.000 2.371 648 D HA 0.158 4.710 4.640 -0.148 0.000 0.221 648 D C 0.936 177.233 176.300 -0.005 0.000 0.986 648 D CA 1.114 55.127 54.000 0.023 0.000 0.899 648 D CB 0.321 41.143 40.800 0.037 0.000 0.902 648 D HN 0.453 nan 8.370 nan 0.000 0.530 649 A N -0.271 122.543 122.820 -0.011 0.000 2.498 649 A HA 0.124 4.355 4.320 -0.148 0.000 0.238 649 A C 0.416 177.998 177.584 -0.003 0.000 1.225 649 A CA -0.274 51.745 52.037 -0.030 0.000 0.978 649 A CB 0.668 19.642 19.000 -0.043 0.000 1.142 649 A HN -0.040 nan 8.150 nan 0.000 0.552 650 N N 0.297 119.008 118.700 0.018 0.000 2.296 650 N HA 0.680 5.331 4.740 -0.148 0.000 0.294 650 N C -0.842 174.698 175.510 0.050 0.000 1.033 650 N CA 0.321 53.398 53.050 0.045 0.000 0.839 650 N CB 2.176 40.701 38.487 0.063 0.000 1.395 650 N HN 0.364 nan 8.380 nan 0.000 0.479 651 A N 0.899 123.756 122.820 0.061 0.000 2.610 651 A HA 0.791 5.023 4.320 -0.148 0.000 0.291 651 A C -1.149 176.464 177.584 0.048 0.000 1.086 651 A CA -0.536 51.528 52.037 0.044 0.000 0.677 651 A CB 1.561 20.567 19.000 0.010 0.000 1.278 651 A HN 0.390 nan 8.150 nan 0.000 0.414 652 T N 0.367 114.928 114.554 0.012 0.000 2.893 652 T HA 0.800 5.061 4.350 -0.148 0.000 0.293 652 T C -0.361 174.288 174.700 -0.085 0.000 1.027 652 T CA 0.235 62.288 62.100 -0.078 0.000 0.988 652 T CB 1.694 70.547 68.868 -0.026 0.000 1.043 652 T HN 1.841 nan 8.240 nan 0.000 0.461 653 A N 1.597 124.355 122.820 -0.102 0.000 2.515 653 A HA 0.966 5.197 4.320 -0.148 0.000 0.296 653 A C -0.472 177.186 177.584 0.122 0.000 1.094 653 A CA -0.819 51.235 52.037 0.029 0.000 0.718 653 A CB 2.287 21.341 19.000 0.089 0.000 1.307 653 A HN 0.761 nan 8.150 nan 0.000 0.408 654 T N 0.339 114.971 114.554 0.130 0.000 2.868 654 T HA 0.668 4.929 4.350 -0.148 0.000 0.306 654 T C -1.518 173.318 174.700 0.226 0.000 1.224 654 T CA -0.359 61.836 62.100 0.159 0.000 1.012 654 T CB 1.181 70.016 68.868 -0.055 0.000 1.221 654 T HN 1.056 nan 8.240 nan 0.000 0.499 655 M N 3.541 123.348 119.600 0.344 0.000 2.206 655 M HA 0.386 4.777 4.480 -0.148 0.000 0.272 655 M C -1.644 174.892 176.300 0.394 0.000 1.012 655 M CA -0.594 54.914 55.300 0.348 0.000 0.986 655 M CB 1.610 34.520 32.600 0.516 0.000 1.740 655 M HN 0.568 nan 8.290 nan 0.000 0.472 656 D N 4.660 125.282 120.400 0.369 0.000 2.551 656 D HA 0.126 4.677 4.640 -0.148 0.000 0.223 656 D C -1.116 175.390 176.300 0.344 0.000 1.144 656 D CA 0.148 54.399 54.000 0.418 0.000 1.025 656 D CB -0.191 40.864 40.800 0.425 0.000 1.085 656 D HN 0.422 nan 8.370 nan 0.000 0.506 657 F N 2.236 122.328 119.950 0.237 0.000 2.471 657 F HA 0.358 4.796 4.527 -0.148 0.000 0.353 657 F C 0.038 175.950 175.800 0.186 0.000 1.113 657 F CA 0.126 58.250 58.000 0.208 0.000 1.262 657 F CB 0.933 40.090 39.000 0.261 0.000 1.146 657 F HN 0.020 nan 8.300 nan 0.000 0.578 658 T N 6.144 120.208 114.554 -0.816 0.000 2.971 658 T HA 0.221 4.483 4.350 -0.148 0.000 0.304 658 T C -0.685 173.433 174.700 -0.970 0.000 1.038 658 T CA -1.040 60.680 62.100 -0.633 0.000 1.007 658 T CB 1.065 69.794 68.868 -0.232 0.000 1.055 658 T HN 0.697 nan 8.240 nan 0.000 0.451 659 N N 2.291 120.615 118.700 -0.627 0.000 2.381 659 N HA 0.051 4.703 4.740 -0.148 0.000 0.254 659 N C 1.792 177.333 175.510 0.051 0.000 1.264 659 N CA -0.904 52.053 53.050 -0.156 0.000 0.942 659 N CB 0.507 39.118 38.487 0.206 0.000 1.190 659 N HN 0.889 nan 8.380 nan 0.000 0.495 660 W N 1.511 122.926 121.300 0.191 0.000 2.296 660 W HA -0.230 4.342 4.660 -0.148 0.000 0.296 660 W C 0.127 176.714 176.519 0.113 0.000 1.220 660 W CA 1.599 59.056 57.345 0.187 0.000 1.223 660 W CB -1.201 28.395 29.460 0.226 0.000 1.139 660 W HN 0.809 nan 8.180 nan 0.000 0.534 661 N N 0.251 118.361 118.700 -0.983 0.000 2.338 661 N HA 0.139 4.790 4.740 -0.148 0.000 0.251 661 N C -0.095 175.143 175.510 -0.453 0.000 1.199 661 N CA -0.171 52.334 53.050 -0.909 0.000 0.879 661 N CB -0.146 37.395 38.487 -1.577 0.000 1.159 661 N HN -0.142 nan 8.380 nan 0.000 0.514 662 Q N 0.312 119.940 119.800 -0.287 0.000 2.435 662 Q HA -0.176 4.075 4.340 -0.148 0.000 0.312 662 Q C 0.398 176.305 176.000 -0.155 0.000 1.333 662 Q CA 1.549 57.247 55.803 -0.175 0.000 0.883 662 Q CB -2.357 26.308 28.738 -0.121 0.000 1.170 662 Q HN 0.763 nan 8.270 nan 0.000 0.443 663 T N -3.913 110.544 114.554 -0.162 0.000 3.003 663 T HA 0.476 4.738 4.350 -0.148 0.000 0.261 663 T C 0.347 175.028 174.700 -0.032 0.000 1.003 663 T CA 0.100 62.143 62.100 -0.095 0.000 0.917 663 T CB 0.568 69.377 68.868 -0.098 0.000 1.084 663 T HN 0.332 nan 8.240 nan 0.000 0.522 664 L N 1.903 123.113 121.223 -0.021 0.000 2.445 664 L HA 0.749 5.000 4.340 -0.148 0.000 0.262 664 L C -1.140 175.752 176.870 0.036 0.000 0.974 664 L CA -0.391 54.479 54.840 0.050 0.000 0.822 664 L CB 2.345 44.492 42.059 0.145 0.000 1.339 664 L HN 0.332 nan 8.230 nan 0.000 0.409 665 T N 1.208 115.811 114.554 0.082 0.000 2.887 665 T HA 0.987 5.249 4.350 -0.148 0.000 0.292 665 T C -0.763 174.057 174.700 0.200 0.000 1.087 665 T CA -0.299 61.866 62.100 0.109 0.000 1.009 665 T CB 2.063 70.960 68.868 0.049 0.000 1.203 665 T HN 1.269 nan 8.240 nan 0.000 0.518 666 A N 1.030 124.020 122.820 0.283 0.000 2.580 666 A HA 0.537 4.768 4.320 -0.148 0.000 0.301 666 A C -1.689 176.093 177.584 0.330 0.000 1.054 666 A CA -0.884 51.285 52.037 0.220 0.000 0.751 666 A CB 0.533 19.694 19.000 0.269 0.000 1.275 666 A HN 0.934 nan 8.150 nan 0.000 0.403 667 H N 2.029 121.077 119.070 -0.037 0.000 2.820 667 H HA 0.369 4.836 4.556 -0.148 0.000 0.278 667 H C -0.197 175.096 175.328 -0.059 0.000 1.142 667 H CA 0.242 56.250 56.048 -0.066 0.000 1.346 667 H CB 0.482 30.015 29.762 -0.382 0.000 1.438 667 H HN 0.479 nan 8.280 nan 0.000 0.473 668 K N 2.141 122.609 120.400 0.113 0.000 2.183 668 K HA 0.558 4.789 4.320 -0.148 0.000 0.274 668 K C -0.253 176.056 176.600 -0.485 0.000 1.009 668 K CA -0.492 55.668 56.287 -0.211 0.000 0.888 668 K CB 1.547 33.971 32.500 -0.127 0.000 1.078 668 K HN 0.364 nan 8.250 nan 0.000 0.459 669 S N 1.503 116.763 115.700 -0.734 0.000 2.569 669 S HA 0.541 4.922 4.470 -0.148 0.000 0.280 669 S C -1.430 172.650 174.600 -0.866 0.000 1.111 669 S CA -0.926 56.918 58.200 -0.594 0.000 0.887 669 S CB 1.249 64.354 63.200 -0.158 0.000 1.095 669 S HN 0.451 nan 8.310 nan 0.000 0.476 670 W N 1.486 122.546 121.300 -0.399 0.000 2.883 670 W HA 0.512 5.083 4.660 -0.147 0.000 0.335 670 W C -1.954 174.187 176.519 -0.630 0.000 1.083 670 W CA -0.720 56.395 57.345 -0.385 0.000 1.233 670 W CB 1.397 30.678 29.460 -0.298 0.000 1.412 670 W HN 0.519 nan 8.180 nan 0.000 0.490 671 F N 2.360 122.356 119.950 0.077 0.000 2.532 671 F HA 0.380 4.819 4.527 -0.148 0.000 0.365 671 F C 0.240 176.053 175.800 0.022 0.000 1.112 671 F CA -0.789 57.255 58.000 0.074 0.000 1.082 671 F CB 0.911 39.955 39.000 0.073 0.000 1.319 671 F HN -0.065 nan 8.300 nan 0.000 0.457 672 M N 4.889 124.552 119.600 0.105 0.000 2.156 672 M HA 0.288 4.679 4.480 -0.148 0.000 0.345 672 M C -0.426 175.917 176.300 0.072 0.000 1.398 672 M CA 0.292 55.608 55.300 0.028 0.000 1.148 672 M CB 0.407 33.016 32.600 0.015 0.000 1.663 672 M HN 0.479 nan 8.290 nan 0.000 0.464 673 L N 4.476 125.737 121.223 0.065 0.000 2.679 673 L HA 0.290 4.542 4.340 -0.148 0.000 0.238 673 L C 0.897 177.789 176.870 0.037 0.000 1.330 673 L CA -0.187 54.688 54.840 0.059 0.000 0.935 673 L CB -0.048 42.049 42.059 0.064 0.000 1.243 673 L HN 0.863 nan 8.230 nan 0.000 0.484 674 K N 1.294 121.707 120.400 0.022 0.000 10.392 674 K HA -0.306 3.925 4.320 -0.148 0.000 0.519 674 K C 0.598 177.225 176.600 0.045 0.000 0.376 674 K CA 2.528 58.814 56.287 -0.002 0.000 1.951 674 K CB -0.746 31.746 32.500 -0.012 0.000 0.744 674 K HN 0.715 nan 8.250 nan 0.000 1.160 675 D N 0.876 121.344 120.400 0.113 0.000 2.538 675 D HA 0.200 4.752 4.640 -0.148 0.000 0.231 675 D C -0.255 176.176 176.300 0.219 0.000 1.229 675 D CA -0.006 54.153 54.000 0.264 0.000 0.828 675 D CB 0.268 41.165 40.800 0.161 0.000 1.035 675 D HN 0.570 nan 8.370 nan 0.000 0.495 676 K N -0.951 119.538 120.400 0.148 0.000 2.642 676 K HA 0.580 4.812 4.320 -0.148 0.000 0.290 676 K C -1.826 174.775 176.600 0.001 0.000 1.006 676 K CA -0.965 55.340 56.287 0.030 0.000 0.869 676 K CB 0.878 33.403 32.500 0.042 0.000 1.499 676 K HN -0.114 nan 8.250 nan 0.000 0.403 677 I N 0.951 121.503 120.570 -0.030 0.000 2.534 677 I HA 0.432 4.513 4.170 -0.148 0.000 0.288 677 I C -0.889 175.325 176.117 0.161 0.000 1.077 677 I CA -0.428 60.831 61.300 -0.069 0.000 1.051 677 I CB 2.042 39.758 38.000 -0.474 0.000 1.234 677 I HN 0.849 nan 8.210 nan 0.000 0.425 678 A N 5.802 128.757 122.820 0.224 0.000 2.290 678 A HA 0.816 5.047 4.320 -0.148 0.000 0.310 678 A C -1.164 176.590 177.584 0.283 0.000 1.202 678 A CA -0.192 52.059 52.037 0.356 0.000 0.837 678 A CB 0.153 19.372 19.000 0.365 0.000 1.139 678 A HN 0.434 nan 8.150 nan 0.000 0.509 679 F N 2.223 122.121 119.950 -0.087 0.000 2.402 679 F HA 0.525 4.963 4.527 -0.148 0.000 0.355 679 F C -0.042 175.696 175.800 -0.104 0.000 1.123 679 F CA -0.477 57.379 58.000 -0.240 0.000 1.021 679 F CB 1.403 40.008 39.000 -0.658 0.000 1.160 679 F HN 0.323 nan 8.300 nan 0.000 0.451 680 L N 2.887 124.152 121.223 0.070 0.000 2.365 680 L HA 0.865 5.116 4.340 -0.148 0.000 0.273 680 L C 0.090 176.657 176.870 -0.505 0.000 1.000 680 L CA -0.821 53.966 54.840 -0.089 0.000 0.819 680 L CB 2.240 44.324 42.059 0.042 0.000 1.284 680 L HN 0.726 nan 8.230 nan 0.000 0.418 681 G N 0.827 108.944 108.800 -1.138 0.000 2.662 681 G HA2 0.667 4.539 3.960 -0.148 0.000 0.302 681 G HA3 0.667 4.539 3.960 -0.148 0.000 0.302 681 G C -1.016 173.498 174.900 -0.643 0.000 1.389 681 G CA -0.263 44.113 45.100 -1.207 0.000 0.998 681 G HN 0.610 nan 8.290 nan 0.000 0.502 682 S N 0.441 115.928 115.700 -0.355 0.000 2.685 682 S HA 0.564 4.945 4.470 -0.148 0.000 0.282 682 S C 0.338 174.755 174.600 -0.306 0.000 1.159 682 S CA -0.288 57.748 58.200 -0.274 0.000 0.833 682 S CB 1.446 64.521 63.200 -0.208 0.000 1.151 682 S HN 1.235 nan 8.310 nan 0.000 0.485 683 N N -0.272 118.242 118.700 -0.310 0.000 2.725 683 N HA -0.149 4.502 4.740 -0.148 0.000 0.249 683 N C -0.916 174.456 175.510 -0.230 0.000 1.103 683 N CA 0.347 53.188 53.050 -0.348 0.000 0.707 683 N CB -1.119 36.938 38.487 -0.717 0.000 1.043 683 N HN 0.686 nan 8.380 nan 0.000 0.553 684 I N 1.678 122.144 120.570 -0.174 0.000 2.517 684 I HA 0.013 4.095 4.170 -0.148 0.000 0.285 684 I C 0.517 176.599 176.117 -0.060 0.000 1.106 684 I CA 0.599 61.832 61.300 -0.111 0.000 1.402 684 I CB 0.835 38.703 38.000 -0.219 0.000 1.399 684 I HN 0.166 nan 8.210 nan 0.000 0.535 685 Q N 5.169 124.960 119.800 -0.015 0.000 2.423 685 Q HA 0.498 4.749 4.340 -0.148 0.000 0.278 685 Q C -0.925 175.093 176.000 0.031 0.000 1.097 685 Q CA -1.042 54.759 55.803 -0.002 0.000 0.809 685 Q CB 2.766 31.489 28.738 -0.023 0.000 1.391 685 Q HN 0.502 nan 8.270 nan 0.000 0.428 686 N N -0.172 118.546 118.700 0.030 0.000 2.454 686 N HA 0.209 4.861 4.740 -0.148 0.000 0.291 686 N C -0.715 174.806 175.510 0.019 0.000 1.079 686 N CA -0.318 52.756 53.050 0.039 0.000 0.893 686 N CB 1.768 40.295 38.487 0.067 0.000 1.512 686 N HN 0.643 nan 8.380 nan 0.000 0.497 687 T N -0.901 113.656 114.554 0.005 0.000 3.054 687 T HA 0.215 4.477 4.350 -0.148 0.000 0.255 687 T C 0.770 175.466 174.700 -0.006 0.000 1.035 687 T CA 0.054 62.151 62.100 -0.005 0.000 0.941 687 T CB -0.331 68.526 68.868 -0.018 0.000 1.026 687 T HN 0.419 nan 8.240 nan 0.000 0.533 688 S N 1.387 117.089 115.700 0.003 0.000 2.713 688 S HA 0.398 4.779 4.470 -0.148 0.000 0.277 688 S C 1.315 175.925 174.600 0.016 0.000 1.168 688 S CA 0.104 58.307 58.200 0.005 0.000 0.994 688 S CB 1.049 64.257 63.200 0.012 0.000 1.054 688 S HN 0.367 nan 8.310 nan 0.000 0.555 689 T N -2.320 112.245 114.554 0.018 0.000 3.107 689 T HA 0.206 4.467 4.350 -0.148 0.000 0.249 689 T C -0.078 174.638 174.700 0.026 0.000 1.096 689 T CA -0.244 61.868 62.100 0.019 0.000 1.012 689 T CB -0.529 68.347 68.868 0.015 0.000 0.977 689 T HN 0.552 nan 8.240 nan 0.000 0.527 690 D N 3.245 123.668 120.400 0.039 0.000 2.329 690 D HA 0.265 4.817 4.640 -0.148 0.000 0.246 690 D C 0.433 176.763 176.300 0.050 0.000 1.111 690 D CA 0.004 54.033 54.000 0.048 0.000 0.941 690 D CB 1.473 42.319 40.800 0.077 0.000 1.169 690 D HN 0.408 nan 8.370 nan 0.000 0.441 691 T N -2.134 112.446 114.554 0.043 0.000 2.897 691 T HA 0.576 4.838 4.350 -0.148 0.000 0.294 691 T C -0.130 174.610 174.700 0.068 0.000 1.004 691 T CA -0.907 61.219 62.100 0.043 0.000 1.106 691 T CB 1.348 70.227 68.868 0.018 0.000 0.949 691 T HN 0.390 nan 8.240 nan 0.000 0.520 692 A N 1.760 124.633 122.820 0.089 0.000 2.340 692 A HA 0.964 5.195 4.320 -0.148 0.000 0.331 692 A C -0.037 177.614 177.584 0.112 0.000 1.140 692 A CA -0.597 51.524 52.037 0.140 0.000 0.801 692 A CB 1.006 20.124 19.000 0.197 0.000 1.234 692 A HN 1.801 nan 8.150 nan 0.000 0.469 693 A N 0.620 123.516 122.820 0.126 0.000 2.597 693 A HA 0.726 4.958 4.320 -0.148 0.000 0.292 693 A C -0.567 177.063 177.584 0.077 0.000 1.057 693 A CA -0.398 51.615 52.037 -0.040 0.000 0.674 693 A CB 0.749 19.695 19.000 -0.089 0.000 1.278 693 A HN 0.914 nan 8.150 nan 0.000 0.416 694 T N 1.829 116.388 114.554 0.009 0.000 2.797 694 T HA 0.559 4.821 4.350 -0.148 0.000 0.279 694 T C -0.182 174.507 174.700 -0.018 0.000 0.991 694 T CA -0.010 62.142 62.100 0.088 0.000 0.979 694 T CB 1.145 70.097 68.868 0.140 0.000 0.943 694 T HN 0.592 nan 8.240 nan 0.000 0.444 695 T N 4.313 118.876 114.554 0.014 0.000 2.723 695 T HA 0.259 4.520 4.350 -0.148 0.000 0.297 695 T C 1.700 176.405 174.700 0.008 0.000 0.925 695 T CA -0.325 61.774 62.100 -0.001 0.000 1.030 695 T CB 0.044 68.932 68.868 0.033 0.000 0.905 695 T HN 0.470 nan 8.240 nan 0.000 0.502 696 I N 1.598 122.104 120.570 -0.106 0.000 2.394 696 I HA 0.002 4.084 4.170 -0.148 0.000 0.251 696 I C 0.935 177.042 176.117 -0.017 0.000 1.136 696 I CA 1.050 62.220 61.300 -0.216 0.000 1.425 696 I CB 0.232 37.917 38.000 -0.526 0.000 1.079 696 I HN 0.542 nan 8.210 nan 0.000 0.425 697 D N -0.774 119.620 120.400 -0.010 0.000 2.766 697 D HA 0.145 4.696 4.640 -0.148 0.000 0.244 697 D C -1.407 174.907 176.300 0.024 0.000 1.198 697 D CA -0.423 53.634 54.000 0.095 0.000 0.739 697 D CB 1.259 42.143 40.800 0.140 0.000 1.379 697 D HN -0.072 nan 8.370 nan 0.000 0.437 698 Q N 2.458 122.294 119.800 0.058 0.000 3.147 698 Q HA 0.327 4.578 4.340 -0.148 0.000 0.224 698 Q C -1.317 174.830 176.000 0.245 0.000 0.901 698 Q CA -0.649 55.219 55.803 0.109 0.000 0.729 698 Q CB 0.982 29.741 28.738 0.035 0.000 1.363 698 Q HN 0.198 nan 8.270 nan 0.000 0.467 699 R N 2.042 122.670 120.500 0.213 0.000 2.265 699 R HA 0.273 4.524 4.340 -0.148 0.000 0.319 699 R C -0.864 175.500 176.300 0.106 0.000 1.006 699 R CA -0.244 56.003 56.100 0.246 0.000 0.880 699 R CB 0.880 31.238 30.300 0.096 0.000 1.077 699 R HN 0.286 nan 8.270 nan 0.000 0.454 700 K N 4.672 124.991 120.400 -0.135 0.000 2.322 700 K HA 0.217 4.449 4.320 -0.148 0.000 0.283 700 K C -0.671 175.682 176.600 -0.411 0.000 1.042 700 K CA -0.274 55.491 56.287 -0.871 0.000 0.958 700 K CB 0.475 32.280 32.500 -1.159 0.000 0.984 700 K HN 0.499 nan 8.250 nan 0.000 0.473 701 L N 2.886 123.879 121.223 -0.383 0.000 2.387 701 L HA 0.400 4.651 4.340 -0.148 0.000 0.266 701 L C -0.039 176.707 176.870 -0.206 0.000 1.059 701 L CA -0.850 53.884 54.840 -0.177 0.000 0.801 701 L CB 1.345 43.349 42.059 -0.092 0.000 1.223 701 L HN 0.655 nan 8.230 nan 0.000 0.456 702 E N -0.455 119.642 120.200 -0.172 0.000 2.176 702 E HA 0.144 4.405 4.350 -0.148 0.000 0.267 702 E C 0.280 176.803 176.600 -0.128 0.000 0.893 702 E CA -0.258 56.052 56.400 -0.150 0.000 0.761 702 E CB 1.846 31.456 29.700 -0.151 0.000 1.133 702 E HN 0.686 nan 8.360 nan 0.000 0.409 703 S N 1.440 117.084 115.700 -0.094 0.000 2.419 703 S HA -0.210 4.172 4.470 -0.148 0.000 0.233 703 S C 1.888 176.446 174.600 -0.070 0.000 1.016 703 S CA 1.482 59.639 58.200 -0.073 0.000 0.974 703 S CB -0.195 62.974 63.200 -0.051 0.000 0.786 703 S HN 0.483 nan 8.310 nan 0.000 0.492 704 S N 2.059 117.716 115.700 -0.072 0.000 2.395 704 S HA 0.067 4.449 4.470 -0.148 0.000 0.225 704 S C 0.760 175.307 174.600 -0.088 0.000 1.027 704 S CA 0.162 58.324 58.200 -0.064 0.000 0.965 704 S CB -0.687 62.485 63.200 -0.047 0.000 0.812 704 S HN 0.633 nan 8.310 nan 0.000 0.482 705 N N 3.508 122.126 118.700 -0.136 0.000 2.898 705 N HA 0.310 4.962 4.740 -0.148 0.000 0.245 705 N C -2.971 172.367 175.510 -0.286 0.000 1.185 705 N CA -1.122 51.811 53.050 -0.195 0.000 0.879 705 N CB 1.388 39.738 38.487 -0.228 0.000 1.157 705 N HN 0.440 nan 8.380 nan 0.000 0.503 706 P HA 0.068 nan 4.420 nan 0.000 0.271 706 P C -0.992 176.212 177.300 -0.161 0.000 1.216 706 P CA 0.118 63.124 63.100 -0.156 0.000 0.776 706 P CB 0.774 32.432 31.700 -0.071 0.000 0.881 707 Y N 1.253 121.522 120.300 -0.052 0.000 2.310 707 Y HA 0.325 4.787 4.550 -0.148 0.000 0.326 707 Y C 1.255 177.124 175.900 -0.051 0.000 1.151 707 Y CA -0.132 57.934 58.100 -0.056 0.000 1.195 707 Y CB 1.275 39.687 38.460 -0.081 0.000 1.210 707 Y HN 0.294 nan 8.280 nan 0.000 0.483 708 K N 2.497 123.003 120.400 0.177 0.000 2.263 708 K HA 0.562 4.793 4.320 -0.148 0.000 0.272 708 K C -1.615 174.975 176.600 -0.017 0.000 1.033 708 K CA -0.419 55.887 56.287 0.032 0.000 0.884 708 K CB 0.561 33.105 32.500 0.073 0.000 1.107 708 K HN 0.475 nan 8.250 nan 0.000 0.460 709 V N 5.618 125.446 119.914 -0.143 0.000 2.465 709 V HA 0.291 4.322 4.120 -0.148 0.000 0.279 709 V C -0.846 175.110 176.094 -0.231 0.000 1.045 709 V CA -0.475 61.750 62.300 -0.124 0.000 0.938 709 V CB 0.350 32.096 31.823 -0.129 0.000 0.986 709 V HN 0.612 nan 8.190 nan 0.000 0.467 710 Y N 2.725 123.034 120.300 0.016 0.000 2.376 710 Y HA 0.663 5.124 4.550 -0.148 0.000 0.340 710 Y C -0.124 175.786 175.900 0.017 0.000 0.965 710 Y CA -0.940 57.191 58.100 0.052 0.000 1.078 710 Y CB 2.161 40.707 38.460 0.142 0.000 1.193 710 Y HN 0.337 nan 8.280 nan 0.000 0.452 711 V N 3.633 123.621 119.914 0.123 0.000 2.487 711 V HA 0.275 4.306 4.120 -0.148 0.000 0.298 711 V C -0.352 175.821 176.094 0.133 0.000 1.028 711 V CA -1.263 61.061 62.300 0.040 0.000 0.860 711 V CB 1.381 33.105 31.823 -0.164 0.000 0.991 711 V HN 0.934 nan 8.190 nan 0.000 0.427 712 N N 3.234 122.033 118.700 0.165 0.000 2.708 712 N HA -0.216 4.436 4.740 -0.148 0.000 0.249 712 N C 0.459 176.064 175.510 0.159 0.000 1.097 712 N CA 1.428 54.574 53.050 0.160 0.000 0.710 712 N CB -1.071 37.489 38.487 0.121 0.000 1.032 712 N HN 1.087 nan 8.380 nan 0.000 0.551 713 D N -2.364 118.159 120.400 0.205 0.000 3.041 713 D HA -0.182 4.369 4.640 -0.148 0.000 0.220 713 D C -1.014 175.449 176.300 0.272 0.000 1.157 713 D CA 1.261 55.373 54.000 0.187 0.000 0.876 713 D CB -0.204 40.641 40.800 0.074 0.000 1.107 713 D HN 0.344 nan 8.370 nan 0.000 0.422 714 K N 0.962 121.531 120.400 0.282 0.000 2.345 714 K HA 0.358 4.589 4.320 -0.148 0.000 0.255 714 K C -0.093 176.592 176.600 0.143 0.000 0.934 714 K CA -0.676 55.742 56.287 0.218 0.000 0.801 714 K CB 1.560 34.138 32.500 0.130 0.000 1.137 714 K HN 0.283 nan 8.250 nan 0.000 0.424 715 E N 1.615 121.815 120.200 0.001 0.000 2.502 715 E HA 0.165 4.426 4.350 -0.148 0.000 0.261 715 E C -0.900 175.629 176.600 -0.119 0.000 0.974 715 E CA 0.017 56.249 56.400 -0.281 0.000 0.936 715 E CB 0.552 30.072 29.700 -0.300 0.000 0.926 715 E HN 0.604 nan 8.360 nan 0.000 0.459 716 A N 3.451 126.185 122.820 -0.142 0.000 2.386 716 A HA 0.478 4.709 4.320 -0.148 0.000 0.311 716 A C -0.931 176.629 177.584 -0.039 0.000 1.068 716 A CA -0.739 51.279 52.037 -0.033 0.000 0.743 716 A CB 1.996 20.970 19.000 -0.043 0.000 1.258 716 A HN 0.504 nan 8.150 nan 0.000 0.429 717 S N 1.952 117.663 115.700 0.018 0.000 2.420 717 S HA 0.486 4.867 4.470 -0.148 0.000 0.313 717 S C -0.208 174.415 174.600 0.038 0.000 1.079 717 S CA -0.361 57.843 58.200 0.007 0.000 1.104 717 S CB 0.119 63.320 63.200 0.003 0.000 0.969 717 S HN 0.534 nan 8.310 nan 0.000 0.471 718 L N 3.469 124.704 121.223 0.019 0.000 2.375 718 L HA 0.555 4.806 4.340 -0.148 0.000 0.271 718 L C 0.912 177.794 176.870 0.020 0.000 1.107 718 L CA -0.428 54.432 54.840 0.033 0.000 0.806 718 L CB 1.103 43.167 42.059 0.008 0.000 1.146 718 L HN 0.629 nan 8.230 nan 0.000 0.447 719 T N -3.046 111.521 114.554 0.021 0.000 2.888 719 T HA 0.279 4.541 4.350 -0.148 0.000 0.288 719 T C 0.596 175.300 174.700 0.006 0.000 1.063 719 T CA -0.865 61.240 62.100 0.008 0.000 1.010 719 T CB 1.787 70.656 68.868 0.002 0.000 1.214 719 T HN 0.541 nan 8.240 nan 0.000 0.533 720 E N -0.123 120.078 120.200 0.001 0.000 2.204 720 E HA -0.100 4.162 4.350 -0.148 0.000 0.195 720 E C 0.761 177.357 176.600 -0.007 0.000 0.990 720 E CA 0.736 57.135 56.400 -0.001 0.000 0.821 720 E CB 0.157 29.855 29.700 -0.003 0.000 0.750 720 E HN 0.576 nan 8.360 nan 0.000 0.477 721 Q N 1.441 121.236 119.800 -0.010 0.000 2.286 721 Q HA 0.055 4.307 4.340 -0.148 0.000 0.257 721 Q C -0.599 175.392 176.000 -0.015 0.000 0.941 721 Q CA -0.121 55.672 55.803 -0.017 0.000 0.912 721 Q CB 0.866 29.591 28.738 -0.022 0.000 1.192 721 Q HN -0.021 nan 8.270 nan 0.000 0.410 722 E N 3.185 123.373 120.200 -0.020 0.000 2.480 722 E HA -0.041 4.221 4.350 -0.148 0.000 0.258 722 E C -0.956 175.625 176.600 -0.031 0.000 0.984 722 E CA 0.528 56.917 56.400 -0.018 0.000 0.930 722 E CB 0.556 30.239 29.700 -0.029 0.000 0.936 722 E HN 0.316 nan 8.360 nan 0.000 0.466 723 K N 3.610 124.004 120.400 -0.011 0.000 2.207 723 K HA 0.271 4.502 4.320 -0.148 0.000 0.255 723 K C -1.077 175.431 176.600 -0.153 0.000 0.941 723 K CA -0.921 55.303 56.287 -0.105 0.000 0.825 723 K CB 1.316 33.754 32.500 -0.104 0.000 1.119 723 K HN 0.467 nan 8.250 nan 0.000 0.430 724 D N 1.644 121.867 120.400 -0.294 0.000 2.175 724 D HA 0.202 4.753 4.640 -0.148 0.000 0.248 724 D C -0.812 175.205 176.300 -0.471 0.000 1.047 724 D CA -0.006 53.851 54.000 -0.238 0.000 0.883 724 D CB 0.934 41.636 40.800 -0.163 0.000 1.180 724 D HN 0.354 nan 8.370 nan 0.000 0.438 725 Y N 1.615 121.856 120.300 -0.099 0.000 2.681 725 Y HA 0.231 4.693 4.550 -0.148 0.000 0.347 725 Y C -2.052 173.776 175.900 -0.119 0.000 1.029 725 Y CA -1.874 56.166 58.100 -0.099 0.000 1.279 725 Y CB 1.672 40.067 38.460 -0.108 0.000 1.096 725 Y HN 0.104 nan 8.280 nan 0.000 0.580 726 P HA 0.060 nan 4.420 nan 0.000 0.276 726 P C -0.213 177.073 177.300 -0.023 0.000 1.252 726 P CA -0.014 63.064 63.100 -0.037 0.000 0.802 726 P CB 1.032 32.705 31.700 -0.044 0.000 1.035 727 E N -2.064 118.112 120.200 -0.039 0.000 2.360 727 E HA -0.136 4.125 4.350 -0.148 0.000 0.238 727 E C -0.498 176.085 176.600 -0.028 0.000 1.186 727 E CA 0.968 57.353 56.400 -0.025 0.000 0.719 727 E CB -2.695 27.005 29.700 0.001 0.000 1.236 727 E HN 0.448 nan 8.360 nan 0.000 0.386 728 T N 0.506 114.997 114.554 -0.105 0.000 2.817 728 T HA 0.262 4.523 4.350 -0.148 0.000 0.293 728 T C 1.348 175.993 174.700 -0.090 0.000 0.964 728 T CA -0.078 61.946 62.100 -0.126 0.000 1.085 728 T CB 1.569 70.259 68.868 -0.297 0.000 0.921 728 T HN 0.195 nan 8.240 nan 0.000 0.502 729 Q N 2.156 122.012 119.800 0.093 0.000 2.378 729 Q HA 0.215 4.466 4.340 -0.148 0.000 0.229 729 Q C 0.283 176.562 176.000 0.465 0.000 0.882 729 Q CA 0.092 56.036 55.803 0.235 0.000 0.936 729 Q CB 0.633 29.505 28.738 0.223 0.000 1.092 729 Q HN 0.765 nan 8.270 nan 0.000 0.535 730 S N -2.094 113.870 115.700 0.440 0.000 2.567 730 S HA 0.685 5.066 4.470 -0.148 0.000 0.270 730 S C -1.381 173.481 174.600 0.437 0.000 1.152 730 S CA -0.879 57.668 58.200 0.578 0.000 0.835 730 S CB 1.585 65.139 63.200 0.590 0.000 1.115 730 S HN -0.075 nan 8.310 nan 0.000 0.459 731 V N 2.284 122.473 119.914 0.458 0.000 2.686 731 V HA 0.749 4.781 4.120 -0.148 0.000 0.306 731 V C -1.560 174.678 176.094 0.241 0.000 1.065 731 V CA -0.520 61.936 62.300 0.259 0.000 0.894 731 V CB 1.672 33.557 31.823 0.105 0.000 1.004 731 V HN 0.921 nan 8.190 nan 0.000 0.424 732 F N 5.262 125.198 119.950 -0.024 0.000 2.547 732 F HA 0.709 5.147 4.527 -0.148 0.000 0.316 732 F C -0.905 174.856 175.800 -0.066 0.000 1.121 732 F CA -0.825 57.036 58.000 -0.233 0.000 0.911 732 F CB 1.682 40.467 39.000 -0.358 0.000 1.179 732 F HN 0.305 nan 8.300 nan 0.000 0.443 733 L N 5.539 126.239 121.223 -0.872 0.000 2.276 733 L HA 0.431 4.683 4.340 -0.148 0.000 0.286 733 L C -0.432 176.006 176.870 -0.721 0.000 1.024 733 L CA -0.494 53.934 54.840 -0.686 0.000 0.826 733 L CB 1.437 42.919 42.059 -0.961 0.000 1.211 733 L HN 0.610 nan 8.230 nan 0.000 0.422 734 E N 2.694 122.828 120.200 -0.109 0.000 2.134 734 E HA 0.359 4.621 4.350 -0.148 0.000 0.278 734 E C -0.898 175.865 176.600 0.272 0.000 0.959 734 E CA -0.177 56.305 56.400 0.136 0.000 0.783 734 E CB 1.767 31.760 29.700 0.488 0.000 1.095 734 E HN 0.537 nan 8.360 nan 0.000 0.399 735 S N 2.005 117.817 115.700 0.186 0.000 2.739 735 S HA 0.230 4.611 4.470 -0.148 0.000 0.306 735 S C 0.981 175.606 174.600 0.042 0.000 1.115 735 S CA -0.027 58.191 58.200 0.031 0.000 0.985 735 S CB 1.402 64.549 63.200 -0.088 0.000 1.133 735 S HN 0.580 nan 8.310 nan 0.000 0.541 736 S N 0.554 116.249 115.700 -0.008 0.000 2.489 736 S HA 0.069 4.451 4.470 -0.148 0.000 0.228 736 S C 0.199 174.811 174.600 0.020 0.000 0.995 736 S CA 0.320 58.529 58.200 0.015 0.000 0.934 736 S CB -0.309 62.888 63.200 -0.005 0.000 0.771 736 S HN 0.703 nan 8.310 nan 0.000 0.522 737 D N 1.869 122.274 120.400 0.007 0.000 2.392 737 D HA 0.365 4.916 4.640 -0.148 0.000 0.228 737 D C 1.173 177.500 176.300 0.045 0.000 1.074 737 D CA -0.032 53.981 54.000 0.022 0.000 0.838 737 D CB 1.900 42.703 40.800 0.005 0.000 1.067 737 D HN 0.167 nan 8.370 nan 0.000 0.511 738 S N 4.046 119.783 115.700 0.062 0.000 2.400 738 S HA -0.170 4.211 4.470 -0.148 0.000 0.232 738 S C 1.419 176.064 174.600 0.074 0.000 1.025 738 S CA 0.633 58.882 58.200 0.081 0.000 0.993 738 S CB -0.103 63.146 63.200 0.082 0.000 0.808 738 S HN 0.350 nan 8.310 nan 0.000 0.478 739 K N 1.299 121.742 120.400 0.071 0.000 2.574 739 K HA 0.157 4.388 4.320 -0.148 0.000 0.193 739 K C 1.035 177.679 176.600 0.075 0.000 1.035 739 K CA 0.566 56.904 56.287 0.085 0.000 0.982 739 K CB -0.109 32.449 32.500 0.095 0.000 0.795 739 K HN 0.564 nan 8.250 nan 0.000 0.491 740 K N 0.083 120.518 120.400 0.058 0.000 2.402 740 K HA 0.118 4.349 4.320 -0.148 0.000 0.204 740 K C -0.155 176.509 176.600 0.107 0.000 1.056 740 K CA -0.274 56.056 56.287 0.071 0.000 1.069 740 K CB 0.561 33.074 32.500 0.022 0.000 0.888 740 K HN -0.013 nan 8.250 nan 0.000 0.546 741 N N 1.485 120.197 118.700 0.020 0.000 2.508 741 N HA 0.212 4.863 4.740 -0.148 0.000 0.264 741 N C -0.507 174.814 175.510 -0.314 0.000 1.216 741 N CA 0.376 53.331 53.050 -0.157 0.000 0.943 741 N CB 0.784 39.210 38.487 -0.102 0.000 1.113 741 N HN 0.042 nan 8.380 nan 0.000 0.447 742 I N 0.085 120.290 120.570 -0.608 0.000 2.548 742 I HA 0.408 4.490 4.170 -0.148 0.000 0.287 742 I C 0.269 175.880 176.117 -0.843 0.000 1.103 742 I CA -0.811 60.111 61.300 -0.630 0.000 1.049 742 I CB 2.205 39.887 38.000 -0.529 0.000 1.232 742 I HN 0.389 nan 8.210 nan 0.000 0.429 743 G N 4.866 113.216 108.800 -0.751 0.000 2.482 743 G HA2 0.731 4.602 3.960 -0.148 0.000 0.317 743 G HA3 0.731 4.602 3.960 -0.148 0.000 0.317 743 G C -1.817 172.769 174.900 -0.524 0.000 1.241 743 G CA -0.361 44.301 45.100 -0.729 0.000 0.967 743 G HN 0.375 nan 8.290 nan 0.000 0.482 744 Y N 0.594 120.867 120.300 -0.044 0.000 2.361 744 Y HA 0.529 4.990 4.550 -0.148 0.000 0.337 744 Y C -0.850 175.107 175.900 0.096 0.000 0.965 744 Y CA -1.397 56.651 58.100 -0.087 0.000 1.091 744 Y CB 2.243 40.487 38.460 -0.360 0.000 1.182 744 Y HN 0.490 nan 8.280 nan 0.000 0.450 745 F N 4.849 124.749 119.950 -0.084 0.000 2.402 745 F HA 0.623 5.062 4.527 -0.148 0.000 0.355 745 F C -1.658 173.858 175.800 -0.473 0.000 1.123 745 F CA -2.318 55.592 58.000 -0.150 0.000 1.021 745 F CB 0.327 39.207 39.000 -0.200 0.000 1.160 745 F HN 0.284 nan 8.300 nan 0.000 0.451 746 F N 7.684 127.313 119.950 -0.536 0.000 2.390 746 F HA 0.280 4.719 4.527 -0.148 0.000 0.361 746 F C 0.684 175.929 175.800 -0.925 0.000 1.124 746 F CA -0.495 57.165 58.000 -0.567 0.000 1.149 746 F CB 0.242 39.139 39.000 -0.172 0.000 1.160 746 F HN 0.445 nan 8.300 nan 0.000 0.501 747 F N 1.050 120.672 119.950 -0.547 0.000 2.115 747 F HA -0.181 4.257 4.527 -0.148 0.000 0.300 747 F C 1.061 176.758 175.800 -0.172 0.000 1.092 747 F CA 1.288 59.016 58.000 -0.453 0.000 1.245 747 F CB -0.540 38.341 39.000 -0.197 0.000 0.995 747 F HN 0.196 nan 8.300 nan 0.000 0.481 748 K N -0.242 120.230 120.400 0.120 0.000 2.378 748 K HA 0.274 4.506 4.320 -0.148 0.000 0.252 748 K C -0.494 176.165 176.600 0.097 0.000 0.931 748 K CA -0.731 55.621 56.287 0.109 0.000 0.794 748 K CB 1.629 34.199 32.500 0.116 0.000 1.181 748 K HN -0.161 nan 8.250 nan 0.000 0.425 749 K N 1.450 121.888 120.400 0.064 0.000 2.530 749 K HA 0.036 4.268 4.320 -0.148 0.000 0.280 749 K C -0.376 176.211 176.600 -0.021 0.000 1.004 749 K CA 0.554 56.852 56.287 0.019 0.000 1.071 749 K CB 0.233 32.744 32.500 0.019 0.000 0.876 749 K HN 0.487 nan 8.250 nan 0.000 0.487 750 S N 0.883 116.493 115.700 -0.151 0.000 2.634 750 S HA 0.243 4.624 4.470 -0.148 0.000 0.296 750 S C -0.767 173.692 174.600 -0.234 0.000 1.104 750 S CA -0.895 57.200 58.200 -0.175 0.000 0.920 750 S CB 2.033 65.102 63.200 -0.218 0.000 1.111 750 S HN 0.517 nan 8.310 nan 0.000 0.493 751 S N 1.816 117.427 115.700 -0.149 0.000 2.423 751 S HA 0.625 5.006 4.470 -0.148 0.000 0.317 751 S C -0.264 174.244 174.600 -0.154 0.000 1.065 751 S CA -0.766 57.358 58.200 -0.126 0.000 1.111 751 S CB -1.006 62.152 63.200 -0.069 0.000 0.968 751 S HN 0.574 nan 8.310 nan 0.000 0.474 752 I N 2.033 122.500 120.570 -0.171 0.000 3.264 752 I HA 0.911 4.993 4.170 -0.148 0.000 0.309 752 I C -0.584 175.508 176.117 -0.041 0.000 1.099 752 I CA -1.008 60.198 61.300 -0.157 0.000 0.989 752 I CB 2.268 40.104 38.000 -0.273 0.000 1.250 752 I HN 0.550 nan 8.210 nan 0.000 0.478 753 S N 2.072 117.750 115.700 -0.036 0.000 2.546 753 S HA 0.802 5.183 4.470 -0.148 0.000 0.274 753 S C -0.914 173.699 174.600 0.021 0.000 1.121 753 S CA -0.842 57.380 58.200 0.037 0.000 0.887 753 S CB 1.890 65.077 63.200 -0.022 0.000 1.094 753 S HN 0.751 nan 8.310 nan 0.000 0.474 754 M N 1.987 121.645 119.600 0.098 0.000 2.575 754 M HA 0.702 5.094 4.480 -0.148 0.000 0.284 754 M C -1.106 175.220 176.300 0.042 0.000 1.253 754 M CA -0.534 54.778 55.300 0.019 0.000 0.861 754 M CB 2.729 35.294 32.600 -0.058 0.000 1.733 754 M HN 1.066 nan 8.290 nan 0.000 0.462 755 S N 0.711 116.412 115.700 0.002 0.000 2.567 755 S HA 0.661 5.042 4.470 -0.148 0.000 0.270 755 S C -1.556 173.048 174.600 0.006 0.000 1.152 755 S CA -1.065 57.141 58.200 0.010 0.000 0.835 755 S CB 2.590 65.791 63.200 0.002 0.000 1.115 755 S HN 0.749 nan 8.310 nan 0.000 0.459 756 K N 0.633 121.041 120.400 0.014 0.000 2.578 756 K HA 0.749 4.980 4.320 -0.148 0.000 0.250 756 K C -1.276 175.340 176.600 0.027 0.000 0.955 756 K CA -0.517 55.785 56.287 0.024 0.000 0.825 756 K CB 1.445 33.954 32.500 0.015 0.000 1.151 756 K HN 1.114 nan 8.250 nan 0.000 0.432 757 A N 3.474 126.322 122.820 0.047 0.000 2.587 757 A HA 0.510 4.741 4.320 -0.148 0.000 0.293 757 A C -1.927 175.697 177.584 0.067 0.000 1.087 757 A CA -0.822 51.238 52.037 0.039 0.000 0.692 757 A CB 1.330 20.341 19.000 0.019 0.000 1.291 757 A HN 0.658 nan 8.150 nan 0.000 0.407 758 L N 0.931 122.180 121.223 0.043 0.000 2.360 758 L HA 0.430 4.681 4.340 -0.148 0.000 0.276 758 L C -0.065 176.834 176.870 0.048 0.000 1.121 758 L CA 0.829 55.700 54.840 0.051 0.000 0.845 758 L CB 0.515 42.587 42.059 0.021 0.000 1.143 758 L HN 0.672 nan 8.230 nan 0.000 0.452 759 Q N 5.321 125.172 119.800 0.085 0.000 2.331 759 Q HA 0.467 4.718 4.340 -0.148 0.000 0.267 759 Q C -1.037 174.960 176.000 -0.005 0.000 1.006 759 Q CA -0.752 55.054 55.803 0.006 0.000 0.818 759 Q CB 2.199 30.881 28.738 -0.093 0.000 1.276 759 Q HN 0.547 nan 8.270 nan 0.000 0.450 760 K N 0.733 121.111 120.400 -0.036 0.000 2.166 760 K HA 0.868 5.099 4.320 -0.148 0.000 0.245 760 K C -0.225 176.331 176.600 -0.073 0.000 0.967 760 K CA -0.770 55.493 56.287 -0.039 0.000 0.863 760 K CB 1.863 34.349 32.500 -0.022 0.000 1.107 760 K HN 0.761 nan 8.250 nan 0.000 0.436 761 G N -0.420 108.333 108.800 -0.079 0.000 2.441 761 G HA2 0.567 4.439 3.960 -0.148 0.000 0.294 761 G HA3 0.567 4.439 3.960 -0.148 0.000 0.294 761 G C -2.032 172.809 174.900 -0.099 0.000 1.393 761 G CA -0.611 44.425 45.100 -0.107 0.000 0.796 761 G HN 0.636 nan 8.290 nan 0.000 0.494 762 A N -1.304 121.458 122.820 -0.096 0.000 2.475 762 A HA 0.655 4.886 4.320 -0.148 0.000 0.301 762 A C 0.065 177.623 177.584 -0.043 0.000 1.059 762 A CA -0.604 51.415 52.037 -0.029 0.000 0.710 762 A CB 0.903 19.925 19.000 0.036 0.000 1.288 762 A HN 0.879 nan 8.150 nan 0.000 0.408 763 W N 0.979 122.288 121.300 0.014 0.000 2.350 763 W HA -0.099 4.474 4.660 -0.147 0.000 0.289 763 W C 2.077 178.593 176.519 -0.005 0.000 1.215 763 W CA 1.763 59.117 57.345 0.015 0.000 1.236 763 W CB 0.222 29.698 29.460 0.027 0.000 1.130 763 W HN 0.816 nan 8.180 nan 0.000 0.541 764 K N 0.526 121.046 120.400 0.199 0.000 2.209 764 K HA -0.190 4.041 4.320 -0.148 0.000 0.204 764 K C 1.259 177.890 176.600 0.052 0.000 1.048 764 K CA 1.708 58.062 56.287 0.111 0.000 0.940 764 K CB -0.212 32.337 32.500 0.081 0.000 0.729 764 K HN 0.010 nan 8.250 nan 0.000 0.451 765 D N 0.611 121.021 120.400 0.017 0.000 2.178 765 D HA -0.156 4.396 4.640 -0.148 0.000 0.201 765 D C 1.675 177.933 176.300 -0.070 0.000 0.980 765 D CA 1.396 55.377 54.000 -0.032 0.000 0.842 765 D CB 0.028 40.788 40.800 -0.066 0.000 0.948 765 D HN 0.567 nan 8.370 nan 0.000 0.472 766 I N -3.807 116.725 120.570 -0.062 0.000 4.082 766 I HA 0.247 4.328 4.170 -0.148 0.000 0.337 766 I C 0.084 176.176 176.117 -0.041 0.000 1.352 766 I CA -0.236 60.998 61.300 -0.111 0.000 1.097 766 I CB 0.474 38.392 38.000 -0.137 0.000 1.048 766 I HN -0.265 nan 8.210 nan 0.000 0.393 767 N N 1.910 120.632 118.700 0.037 0.000 2.599 767 N HA 0.073 4.724 4.740 -0.148 0.000 0.283 767 N C 0.448 175.996 175.510 0.064 0.000 1.160 767 N CA -0.070 53.016 53.050 0.060 0.000 0.869 767 N CB 1.400 39.949 38.487 0.104 0.000 1.448 767 N HN -0.015 nan 8.380 nan 0.000 0.535 768 E N 2.208 122.439 120.200 0.052 0.000 2.147 768 E HA -0.132 4.130 4.350 -0.148 0.000 0.199 768 E C 1.217 177.843 176.600 0.044 0.000 1.005 768 E CA 1.522 57.952 56.400 0.050 0.000 0.810 768 E CB -0.038 29.694 29.700 0.053 0.000 0.736 768 E HN 0.758 nan 8.360 nan 0.000 0.460 769 G N 0.396 109.218 108.800 0.037 0.000 3.026 769 G HA2 -0.063 3.808 3.960 -0.148 0.000 0.208 769 G HA3 -0.063 3.808 3.960 -0.148 0.000 0.208 769 G C 0.707 175.620 174.900 0.022 0.000 1.169 769 G CA -0.152 44.963 45.100 0.024 0.000 0.788 769 G HN 0.023 nan 8.290 nan 0.000 0.533 770 Q N -0.006 119.822 119.800 0.047 0.000 2.169 770 Q HA 0.365 4.616 4.340 -0.148 0.000 0.234 770 Q C 0.085 176.130 176.000 0.074 0.000 0.980 770 Q CA -0.476 55.360 55.803 0.055 0.000 0.941 770 Q CB 1.154 29.973 28.738 0.136 0.000 1.199 770 Q HN 0.104 nan 8.270 nan 0.000 0.496 771 S N 0.711 116.456 115.700 0.076 0.000 2.562 771 S HA -0.014 4.367 4.470 -0.148 0.000 0.281 771 S C 0.306 174.980 174.600 0.122 0.000 1.333 771 S CA -0.275 57.975 58.200 0.082 0.000 1.052 771 S CB 0.235 63.476 63.200 0.069 0.000 0.884 771 S HN 0.558 nan 8.310 nan 0.000 0.506 772 D N 2.550 122.999 120.400 0.081 0.000 2.328 772 D HA 0.058 4.609 4.640 -0.148 0.000 0.221 772 D C 0.392 176.735 176.300 0.072 0.000 1.072 772 D CA -0.094 53.949 54.000 0.072 0.000 0.850 772 D CB -0.020 40.807 40.800 0.045 0.000 0.922 772 D HN 0.254 nan 8.370 nan 0.000 0.516 773 K N 1.776 122.229 120.400 0.088 0.000 2.451 773 K HA -0.043 4.188 4.320 -0.148 0.000 0.280 773 K C 0.077 176.731 176.600 0.089 0.000 1.020 773 K CA -0.047 56.288 56.287 0.081 0.000 1.008 773 K CB 0.525 33.077 32.500 0.086 0.000 0.917 773 K HN 0.262 nan 8.250 nan 0.000 0.478 774 E N 2.808 123.043 120.200 0.058 0.000 2.384 774 E HA 0.109 4.371 4.350 -0.148 0.000 0.266 774 E C -0.960 175.671 176.600 0.052 0.000 1.012 774 E CA -0.372 56.053 56.400 0.041 0.000 0.901 774 E CB 0.815 30.529 29.700 0.023 0.000 0.967 774 E HN 0.230 nan 8.360 nan 0.000 0.435 775 V N 3.811 123.742 119.914 0.029 0.000 2.914 775 V HA 0.433 4.464 4.120 -0.148 0.000 0.314 775 V C -0.568 175.526 176.094 0.000 0.000 1.084 775 V CA -0.696 61.624 62.300 0.033 0.000 0.963 775 V CB 1.879 33.718 31.823 0.026 0.000 1.025 775 V HN 0.846 nan 8.190 nan 0.000 0.432 776 E N 2.329 122.537 120.200 0.014 0.000 2.390 776 E HA 0.630 4.891 4.350 -0.148 0.000 0.277 776 E C -1.809 174.802 176.600 0.019 0.000 0.939 776 E CA -1.037 55.372 56.400 0.015 0.000 0.769 776 E CB 2.720 32.427 29.700 0.013 0.000 1.251 776 E HN 0.544 nan 8.360 nan 0.000 0.450 777 N N 0.934 119.665 118.700 0.051 0.000 2.484 777 N HA 0.191 4.843 4.740 -0.148 0.000 0.269 777 N C -1.662 173.857 175.510 0.015 0.000 1.237 777 N CA -0.669 52.365 53.050 -0.026 0.000 0.838 777 N CB 2.383 40.797 38.487 -0.121 0.000 1.593 777 N HN 0.648 nan 8.380 nan 0.000 0.485 778 E N 0.576 120.692 120.200 -0.140 0.000 2.227 778 E HA 0.525 4.786 4.350 -0.148 0.000 0.282 778 E C -1.412 175.058 176.600 -0.217 0.000 1.015 778 E CA -0.059 56.301 56.400 -0.066 0.000 0.823 778 E CB 0.512 30.167 29.700 -0.076 0.000 1.081 778 E HN 0.277 nan 8.360 nan 0.000 0.396 779 F N 2.906 122.819 119.950 -0.060 0.000 2.563 779 F HA 0.436 4.874 4.527 -0.148 0.000 0.316 779 F C -0.647 175.128 175.800 -0.042 0.000 1.076 779 F CA -0.911 57.054 58.000 -0.058 0.000 0.921 779 F CB 1.456 40.402 39.000 -0.090 0.000 1.209 779 F HN 0.328 nan 8.300 nan 0.000 0.462 780 L N 2.656 123.963 121.223 0.139 0.000 2.294 780 L HA 0.587 4.838 4.340 -0.148 0.000 0.283 780 L C -0.839 176.051 176.870 0.033 0.000 1.015 780 L CA 0.006 54.875 54.840 0.048 0.000 0.831 780 L CB 0.900 42.953 42.059 -0.010 0.000 1.217 780 L HN 0.629 nan 8.230 nan 0.000 0.420 781 T N 5.970 120.526 114.554 0.003 0.000 2.824 781 T HA 0.605 4.866 4.350 -0.148 0.000 0.280 781 T C -0.272 174.376 174.700 -0.087 0.000 0.995 781 T CA -0.239 61.842 62.100 -0.030 0.000 1.009 781 T CB 1.336 70.189 68.868 -0.026 0.000 0.955 781 T HN 0.373 nan 8.240 nan 0.000 0.452 782 I N 2.867 123.358 120.570 -0.131 0.000 2.499 782 I HA 0.547 4.629 4.170 -0.148 0.000 0.288 782 I C -0.032 175.984 176.117 -0.168 0.000 1.048 782 I CA -0.691 60.491 61.300 -0.196 0.000 1.062 782 I CB 1.999 39.781 38.000 -0.364 0.000 1.238 782 I HN 0.728 nan 8.210 nan 0.000 0.426 783 S N 4.486 120.098 115.700 -0.146 0.000 2.607 783 S HA 0.593 4.975 4.470 -0.148 0.000 0.273 783 S C -1.160 173.351 174.600 -0.148 0.000 1.148 783 S CA -0.848 57.272 58.200 -0.132 0.000 0.833 783 S CB 2.462 65.605 63.200 -0.094 0.000 1.130 783 S HN 0.667 nan 8.310 nan 0.000 0.470 784 Q N 0.675 120.372 119.800 -0.171 0.000 2.290 784 Q HA 0.641 4.892 4.340 -0.148 0.000 0.269 784 Q C -0.785 174.967 176.000 -0.412 0.000 1.016 784 Q CA -0.798 54.876 55.803 -0.215 0.000 0.754 784 Q CB 1.750 30.419 28.738 -0.115 0.000 1.247 784 Q HN 1.073 nan 8.270 nan 0.000 0.451 785 A N 3.447 126.087 122.820 -0.301 0.000 2.407 785 A HA 0.338 4.570 4.320 -0.148 0.000 0.248 785 A C -0.866 176.510 177.584 -0.347 0.000 1.082 785 A CA -0.107 51.755 52.037 -0.291 0.000 0.785 785 A CB 0.312 19.239 19.000 -0.122 0.000 1.020 785 A HN 0.802 nan 8.150 nan 0.000 0.489 786 H N 2.169 121.276 119.070 0.061 0.000 2.675 786 H HA 0.233 4.700 4.556 -0.148 0.000 0.258 786 H C 0.012 175.369 175.328 0.049 0.000 1.271 786 H CA -0.441 55.649 56.048 0.070 0.000 1.462 786 H CB 0.899 30.723 29.762 0.102 0.000 1.467 786 H HN 0.795 nan 8.280 nan 0.000 0.501 787 K N 0.595 121.067 120.400 0.121 0.000 2.418 787 K HA 0.053 4.284 4.320 -0.148 0.000 0.195 787 K C 0.301 176.940 176.600 0.065 0.000 1.035 787 K CA 0.402 56.733 56.287 0.073 0.000 1.003 787 K CB 0.638 33.161 32.500 0.039 0.000 0.793 787 K HN 0.352 nan 8.250 nan 0.000 0.494 788 Q N 0.658 120.503 119.800 0.075 0.000 2.413 788 Q HA 0.255 4.506 4.340 -0.148 0.000 0.276 788 Q C -0.813 175.209 176.000 0.037 0.000 1.099 788 Q CA -0.765 55.066 55.803 0.046 0.000 0.814 788 Q CB 1.334 30.093 28.738 0.034 0.000 1.379 788 Q HN -0.002 nan 8.270 nan 0.000 0.436 789 N N 0.252 118.961 118.700 0.016 0.000 2.492 789 N HA 0.252 4.904 4.740 -0.148 0.000 0.260 789 N C 0.970 176.469 175.510 -0.019 0.000 1.215 789 N CA 1.333 54.381 53.050 -0.004 0.000 0.923 789 N CB 0.698 39.179 38.487 -0.011 0.000 1.092 789 N HN 0.892 nan 8.380 nan 0.000 0.448 790 G N 0.943 109.715 108.800 -0.046 0.000 2.157 790 G HA2 -0.225 3.646 3.960 -0.148 0.000 0.239 790 G HA3 -0.225 3.646 3.960 -0.148 0.000 0.239 790 G C -0.071 174.794 174.900 -0.059 0.000 0.982 790 G CA -0.194 44.868 45.100 -0.064 0.000 0.650 790 G HN 0.558 nan 8.290 nan 0.000 0.527 791 D N 0.721 121.095 120.400 -0.044 0.000 2.369 791 D HA 0.605 5.156 4.640 -0.148 0.000 0.241 791 D C 0.942 177.187 176.300 -0.092 0.000 1.271 791 D CA 1.197 55.185 54.000 -0.020 0.000 0.942 791 D CB 1.262 42.094 40.800 0.055 0.000 1.129 791 D HN 0.899 nan 8.370 nan 0.000 0.476 792 S N -0.843 114.839 115.700 -0.030 0.000 2.611 792 S HA 0.657 5.038 4.470 -0.148 0.000 0.268 792 S C -1.526 173.154 174.600 0.132 0.000 1.156 792 S CA -1.028 57.120 58.200 -0.086 0.000 0.817 792 S CB 1.295 64.436 63.200 -0.098 0.000 1.122 792 S HN 0.481 nan 8.310 nan 0.000 0.466 793 Y N -1.698 118.691 120.300 0.149 0.000 2.562 793 Y HA 0.929 5.390 4.550 -0.148 0.000 0.345 793 Y C -0.427 175.620 175.900 0.246 0.000 1.045 793 Y CA -0.860 57.415 58.100 0.290 0.000 1.028 793 Y CB 1.323 40.042 38.460 0.431 0.000 1.297 793 Y HN 1.286 nan 8.280 nan 0.000 0.463 794 G N 2.144 111.310 108.800 0.609 0.000 2.413 794 G HA2 0.527 4.398 3.960 -0.148 0.000 0.285 794 G HA3 0.527 4.398 3.960 -0.148 0.000 0.285 794 G C -2.262 172.888 174.900 0.416 0.000 1.337 794 G CA -0.751 44.640 45.100 0.484 0.000 1.324 794 G HN 1.118 nan 8.290 nan 0.000 0.611 795 Y N -0.210 120.162 120.300 0.120 0.000 2.638 795 Y HA 0.849 5.311 4.550 -0.148 0.000 0.335 795 Y C -0.963 174.749 175.900 -0.313 0.000 1.155 795 Y CA -2.081 55.691 58.100 -0.546 0.000 1.046 795 Y CB 1.972 39.934 38.460 -0.830 0.000 1.303 795 Y HN 0.522 nan 8.280 nan 0.000 0.460 796 M N 3.290 122.705 119.600 -0.308 0.000 2.227 796 M HA 0.550 4.941 4.480 -0.148 0.000 0.335 796 M C -2.039 174.307 176.300 0.076 0.000 1.053 796 M CA -1.060 54.250 55.300 0.017 0.000 0.973 796 M CB 1.487 34.127 32.600 0.067 0.000 1.623 796 M HN 0.766 nan 8.290 nan 0.000 0.434 797 L N 7.221 128.502 121.223 0.096 0.000 2.260 797 L HA 0.612 4.863 4.340 -0.148 0.000 0.289 797 L C -1.519 175.279 176.870 -0.120 0.000 1.057 797 L CA 0.338 55.115 54.840 -0.104 0.000 0.811 797 L CB 0.214 42.226 42.059 -0.078 0.000 1.184 797 L HN 0.741 nan 8.230 nan 0.000 0.429 798 I N 8.424 128.901 120.570 -0.155 0.000 2.437 798 I HA 0.409 4.491 4.170 -0.148 0.000 0.279 798 I C -2.296 173.701 176.117 -0.200 0.000 1.028 798 I CA -1.464 59.785 61.300 -0.086 0.000 1.142 798 I CB 1.478 39.575 38.000 0.162 0.000 1.266 798 I HN 0.524 nan 8.210 nan 0.000 0.461 799 P HA 0.367 nan 4.420 nan 0.000 0.285 799 P C -0.654 176.528 177.300 -0.197 0.000 1.285 799 P CA -0.501 62.375 63.100 -0.373 0.000 0.854 799 P CB 0.919 32.248 31.700 -0.618 0.000 1.180 800 N N -2.691 115.955 118.700 -0.091 0.000 2.721 800 N HA -0.126 4.525 4.740 -0.148 0.000 0.249 800 N C -0.103 175.454 175.510 0.078 0.000 1.072 800 N CA 1.283 54.353 53.050 0.034 0.000 0.710 800 N CB -2.188 36.368 38.487 0.115 0.000 0.993 800 N HN 0.420 nan 8.380 nan 0.000 0.547 801 V N -3.564 116.414 119.914 0.107 0.000 2.962 801 V HA 0.793 4.824 4.120 -0.148 0.000 0.313 801 V C 0.228 176.440 176.094 0.197 0.000 1.099 801 V CA -1.268 61.108 62.300 0.128 0.000 0.971 801 V CB 2.392 34.288 31.823 0.121 0.000 1.028 801 V HN 0.153 nan 8.190 nan 0.000 0.430 802 D N 2.011 122.484 120.400 0.122 0.000 2.377 802 D HA 0.223 4.774 4.640 -0.148 0.000 0.245 802 D C 1.170 177.420 176.300 -0.084 0.000 1.196 802 D CA -0.259 53.811 54.000 0.118 0.000 0.962 802 D CB 0.789 41.620 40.800 0.052 0.000 1.127 802 D HN 0.708 nan 8.370 nan 0.000 0.471 803 R N 0.189 120.519 120.500 -0.284 0.000 2.115 803 R HA -0.263 3.989 4.340 -0.148 0.000 0.239 803 R C 2.036 178.073 176.300 -0.439 0.000 1.133 803 R CA 2.102 57.722 56.100 -0.801 0.000 0.935 803 R CB -0.826 29.121 30.300 -0.588 0.000 0.853 803 R HN 0.605 nan 8.270 nan 0.000 0.433 804 A N -0.252 122.421 122.820 -0.244 0.000 1.940 804 A HA -0.157 4.074 4.320 -0.148 0.000 0.219 804 A C 2.203 179.698 177.584 -0.149 0.000 1.176 804 A CA 2.146 54.080 52.037 -0.171 0.000 0.631 804 A CB -0.844 18.089 19.000 -0.111 0.000 0.814 804 A HN 0.539 nan 8.150 nan 0.000 0.446 805 T N -0.952 113.534 114.554 -0.113 0.000 2.777 805 T HA -0.087 4.174 4.350 -0.148 0.000 0.266 805 T C 1.598 176.241 174.700 -0.095 0.000 1.040 805 T CA 1.393 63.444 62.100 -0.081 0.000 1.141 805 T CB -0.377 68.474 68.868 -0.029 0.000 0.868 805 T HN 0.509 nan 8.240 nan 0.000 0.444 806 F N 3.183 122.973 119.950 -0.266 0.000 2.095 806 F HA -0.141 4.297 4.527 -0.148 0.000 0.298 806 F C 1.998 177.622 175.800 -0.293 0.000 1.104 806 F CA 1.156 58.989 58.000 -0.279 0.000 1.232 806 F CB -0.516 38.215 39.000 -0.447 0.000 0.987 806 F HN 0.035 nan 8.300 nan 0.000 0.475 807 N N 0.419 118.899 118.700 -0.368 0.000 2.223 807 N HA -0.209 4.443 4.740 -0.148 0.000 0.185 807 N C 1.811 177.093 175.510 -0.380 0.000 1.016 807 N CA 1.369 54.172 53.050 -0.413 0.000 0.863 807 N CB -0.539 37.805 38.487 -0.238 0.000 0.983 807 N HN 0.432 nan 8.380 nan 0.000 0.429 808 Q N 0.490 120.117 119.800 -0.288 0.000 2.083 808 Q HA 0.128 4.380 4.340 -0.148 0.000 0.198 808 Q C 2.020 177.851 176.000 -0.281 0.000 0.969 808 Q CA 1.108 56.772 55.803 -0.232 0.000 0.838 808 Q CB -0.039 28.604 28.738 -0.159 0.000 0.900 808 Q HN 0.322 nan 8.270 nan 0.000 0.436 809 M N -0.062 119.341 119.600 -0.328 0.000 2.132 809 M HA -0.107 4.285 4.480 -0.148 0.000 0.263 809 M C 2.017 178.015 176.300 -0.504 0.000 1.065 809 M CA 1.421 56.519 55.300 -0.337 0.000 1.122 809 M CB -0.451 31.989 32.600 -0.267 0.000 1.365 809 M HN 0.409 nan 8.290 nan 0.000 0.411 810 I N -2.004 118.090 120.570 -0.794 0.000 2.614 810 I HA -0.207 3.875 4.170 -0.148 0.000 0.258 810 I C 1.954 177.600 176.117 -0.786 0.000 1.189 810 I CA 1.225 61.801 61.300 -1.206 0.000 1.462 810 I CB -0.594 36.492 38.000 -1.524 0.000 1.092 810 I HN 0.167 nan 8.210 nan 0.000 0.442 811 K N 1.748 121.870 120.400 -0.464 0.000 2.062 811 K HA -0.080 4.152 4.320 -0.148 0.000 0.205 811 K C 1.944 178.428 176.600 -0.192 0.000 1.051 811 K CA 1.529 57.660 56.287 -0.260 0.000 0.941 811 K CB -0.217 32.168 32.500 -0.192 0.000 0.719 811 K HN 0.547 nan 8.250 nan 0.000 0.440 812 E N 0.873 120.950 120.200 -0.206 0.000 2.153 812 E HA -0.117 4.145 4.350 -0.148 0.000 0.194 812 E C 1.635 178.168 176.600 -0.112 0.000 0.988 812 E CA 0.734 57.049 56.400 -0.142 0.000 0.811 812 E CB -0.055 29.558 29.700 -0.145 0.000 0.746 812 E HN 0.216 nan 8.360 nan 0.000 0.466 813 L N 0.959 122.093 121.223 -0.149 0.000 2.611 813 L HA 0.064 4.315 4.340 -0.148 0.000 0.229 813 L C 2.197 179.192 176.870 0.208 0.000 1.137 813 L CA -0.062 54.784 54.840 0.009 0.000 0.901 813 L CB -0.115 41.960 42.059 0.026 0.000 1.098 813 L HN 0.126 nan 8.230 nan 0.000 0.456 814 E N 0.908 121.169 120.200 0.103 0.000 2.136 814 E HA -0.252 4.009 4.350 -0.148 0.000 0.202 814 E C 1.027 177.784 176.600 0.261 0.000 1.019 814 E CA 1.695 58.238 56.400 0.239 0.000 0.819 814 E CB 0.149 29.913 29.700 0.106 0.000 0.739 814 E HN 0.356 nan 8.360 nan 0.000 0.458 815 S N -0.360 115.439 115.700 0.164 0.000 2.588 815 S HA 0.063 4.444 4.470 -0.148 0.000 0.245 815 S C 1.059 175.719 174.600 0.099 0.000 1.021 815 S CA 0.197 58.471 58.200 0.124 0.000 1.006 815 S CB 0.885 64.140 63.200 0.091 0.000 0.830 815 S HN 0.345 nan 8.310 nan 0.000 0.468 816 S N 0.920 116.690 115.700 0.118 0.000 2.453 816 S HA 0.071 4.452 4.470 -0.148 0.000 0.231 816 S C 0.645 175.144 174.600 -0.170 0.000 1.005 816 S CA 0.004 58.220 58.200 0.027 0.000 0.949 816 S CB -0.429 62.826 63.200 0.091 0.000 0.774 816 S HN 0.425 nan 8.310 nan 0.000 0.510 817 L N 2.592 123.603 121.223 -0.353 0.000 2.385 817 L HA 0.290 4.541 4.340 -0.148 0.000 0.281 817 L C 0.756 177.476 176.870 -0.249 0.000 1.106 817 L CA -0.182 54.316 54.840 -0.569 0.000 0.856 817 L CB -0.049 41.568 42.059 -0.735 0.000 1.186 817 L HN 0.081 nan 8.230 nan 0.000 0.453 818 I N 2.574 123.023 120.570 -0.201 0.000 2.400 818 I HA 0.168 4.249 4.170 -0.148 0.000 0.248 818 I C 0.668 176.724 176.117 -0.101 0.000 1.109 818 I CA 0.714 61.960 61.300 -0.090 0.000 1.425 818 I CB -0.712 37.279 38.000 -0.015 0.000 1.094 818 I HN 0.711 nan 8.210 nan 0.000 0.425 819 E N 0.148 120.269 120.200 -0.131 0.000 2.388 819 E HA 0.299 4.561 4.350 -0.148 0.000 0.281 819 E C -0.988 175.550 176.600 -0.103 0.000 1.046 819 E CA -0.462 55.882 56.400 -0.093 0.000 0.825 819 E CB 1.128 30.798 29.700 -0.050 0.000 1.243 819 E HN 0.132 nan 8.360 nan 0.000 0.438 820 N N 2.937 121.591 118.700 -0.076 0.000 2.785 820 N HA 0.181 4.832 4.740 -0.148 0.000 0.224 820 N C -1.396 174.077 175.510 -0.062 0.000 1.448 820 N CA -0.228 52.779 53.050 -0.071 0.000 0.748 820 N CB -0.070 38.358 38.487 -0.099 0.000 1.385 820 N HN 0.513 nan 8.380 nan 0.000 0.538 821 N N -0.288 118.388 118.700 -0.041 0.000 3.091 821 N HA 0.190 4.842 4.740 -0.148 0.000 0.329 821 N C 0.957 176.424 175.510 -0.072 0.000 1.430 821 N CA -0.599 52.415 53.050 -0.060 0.000 0.755 821 N CB 0.215 38.676 38.487 -0.043 0.000 1.626 821 N HN 0.038 nan 8.380 nan 0.000 0.614 822 E N -1.242 118.891 120.200 -0.112 0.000 2.463 822 E HA -0.134 4.128 4.350 -0.148 0.000 0.201 822 E C 0.384 176.966 176.600 -0.030 0.000 1.045 822 E CA 1.769 58.062 56.400 -0.179 0.000 0.872 822 E CB -0.842 28.738 29.700 -0.199 0.000 0.797 822 E HN 0.815 nan 8.360 nan 0.000 0.538 823 T N -2.648 111.936 114.554 0.050 0.000 2.993 823 T HA 0.346 4.608 4.350 -0.148 0.000 0.260 823 T C 0.213 175.041 174.700 0.213 0.000 0.939 823 T CA -0.293 61.896 62.100 0.149 0.000 0.886 823 T CB 0.216 69.143 68.868 0.098 0.000 1.209 823 T HN 0.074 nan 8.240 nan 0.000 0.518 824 L N 1.456 122.770 121.223 0.152 0.000 2.464 824 L HA 0.648 4.899 4.340 -0.148 0.000 0.266 824 L C -1.949 175.004 176.870 0.139 0.000 0.965 824 L CA -0.493 54.444 54.840 0.162 0.000 0.833 824 L CB 2.357 44.467 42.059 0.085 0.000 1.296 824 L HN 0.164 nan 8.230 nan 0.000 0.405 825 Q N 3.078 123.005 119.800 0.213 0.000 2.304 825 Q HA 0.745 4.997 4.340 -0.148 0.000 0.270 825 Q C -1.480 174.654 176.000 0.223 0.000 1.035 825 Q CA -0.604 55.316 55.803 0.194 0.000 0.781 825 Q CB 2.353 31.279 28.738 0.313 0.000 1.261 825 Q HN 0.656 nan 8.270 nan 0.000 0.444 826 S N 1.671 117.342 115.700 -0.048 0.000 2.533 826 S HA 0.682 5.064 4.470 -0.148 0.000 0.271 826 S C -1.630 172.729 174.600 -0.402 0.000 1.143 826 S CA -0.477 57.655 58.200 -0.114 0.000 0.891 826 S CB 1.595 64.848 63.200 0.089 0.000 1.105 826 S HN 0.305 nan 8.310 nan 0.000 0.468 827 V N 4.546 124.162 119.914 -0.497 0.000 2.656 827 V HA 0.587 4.618 4.120 -0.148 0.000 0.307 827 V C -1.365 174.710 176.094 -0.030 0.000 1.051 827 V CA -0.709 61.342 62.300 -0.414 0.000 0.893 827 V CB 1.791 33.215 31.823 -0.664 0.000 0.999 827 V HN 0.870 nan 8.190 nan 0.000 0.426 828 Y N 3.049 123.243 120.300 -0.178 0.000 2.364 828 Y HA 0.603 5.064 4.550 -0.148 0.000 0.340 828 Y C -0.540 175.221 175.900 -0.233 0.000 0.975 828 Y CA -1.365 56.574 58.100 -0.268 0.000 1.089 828 Y CB 1.760 40.036 38.460 -0.307 0.000 1.192 828 Y HN 0.697 nan 8.280 nan 0.000 0.454 829 D N 5.069 125.007 120.400 -0.769 0.000 2.485 829 D HA 0.342 4.893 4.640 -0.148 0.000 0.229 829 D C 0.619 176.262 176.300 -1.094 0.000 1.101 829 D CA 0.263 53.861 54.000 -0.669 0.000 0.906 829 D CB 1.300 41.911 40.800 -0.316 0.000 1.019 829 D HN 0.811 nan 8.370 nan 0.000 0.516 830 A N 4.531 126.638 122.820 -1.188 0.000 1.940 830 A HA -0.188 4.044 4.320 -0.148 0.000 0.219 830 A C 2.024 179.375 177.584 -0.389 0.000 1.176 830 A CA 1.380 52.893 52.037 -0.873 0.000 0.631 830 A CB -0.253 18.514 19.000 -0.388 0.000 0.814 830 A HN 0.559 nan 8.150 nan 0.000 0.446 831 K N -0.779 119.444 120.400 -0.295 0.000 2.097 831 K HA -0.160 4.071 4.320 -0.148 0.000 0.206 831 K C 2.171 178.684 176.600 -0.145 0.000 1.049 831 K CA 1.698 57.883 56.287 -0.169 0.000 0.933 831 K CB -0.132 32.287 32.500 -0.136 0.000 0.717 831 K HN 0.627 nan 8.250 nan 0.000 0.442 832 Q N -1.391 118.299 119.800 -0.183 0.000 2.339 832 Q HA 0.066 4.317 4.340 -0.148 0.000 0.205 832 Q C 0.496 176.434 176.000 -0.104 0.000 0.925 832 Q CA 0.663 56.395 55.803 -0.118 0.000 0.898 832 Q CB 0.799 29.477 28.738 -0.100 0.000 1.013 832 Q HN 0.565 nan 8.270 nan 0.000 0.504 833 G N 1.035 109.711 108.800 -0.207 0.000 2.212 833 G HA2 -0.201 3.670 3.960 -0.148 0.000 0.255 833 G HA3 -0.201 3.670 3.960 -0.148 0.000 0.255 833 G C -0.331 174.520 174.900 -0.081 0.000 1.062 833 G CA 0.071 45.099 45.100 -0.121 0.000 0.815 833 G HN 0.169 nan 8.290 nan 0.000 0.497 834 V N 0.520 120.319 119.914 -0.192 0.000 2.680 834 V HA 0.780 4.812 4.120 -0.148 0.000 0.309 834 V C 0.013 176.145 176.094 0.063 0.000 1.052 834 V CA -1.046 61.282 62.300 0.045 0.000 0.908 834 V CB 1.858 33.718 31.823 0.061 0.000 1.001 834 V HN 0.325 nan 8.190 nan 0.000 0.431 835 W N 1.732 123.252 121.300 0.366 0.000 2.736 835 W HA 0.706 5.278 4.660 -0.148 0.000 0.335 835 W C 0.196 176.918 176.519 0.337 0.000 1.059 835 W CA -0.793 56.788 57.345 0.393 0.000 1.226 835 W CB 2.561 32.297 29.460 0.460 0.000 1.416 835 W HN 0.743 nan 8.180 nan 0.000 0.505 836 G N 3.135 112.284 108.800 0.582 0.000 2.478 836 G HA2 0.780 4.651 3.960 -0.148 0.000 0.317 836 G HA3 0.780 4.651 3.960 -0.148 0.000 0.317 836 G C -1.391 173.932 174.900 0.706 0.000 1.259 836 G CA -0.544 44.949 45.100 0.654 0.000 0.933 836 G HN 0.363 nan 8.290 nan 0.000 0.478 837 I N 1.398 122.326 120.570 0.597 0.000 2.619 837 I HA 0.413 4.494 4.170 -0.148 0.000 0.292 837 I C -0.851 175.559 176.117 0.488 0.000 1.100 837 I CA -1.144 60.464 61.300 0.512 0.000 1.043 837 I CB 2.769 40.943 38.000 0.291 0.000 1.239 837 I HN 0.133 nan 8.210 nan 0.000 0.420 838 V N 5.263 125.443 119.914 0.443 0.000 2.483 838 V HA 0.422 4.454 4.120 -0.148 0.000 0.297 838 V C -0.439 175.900 176.094 0.407 0.000 1.027 838 V CA -0.742 61.790 62.300 0.386 0.000 0.855 838 V CB 2.031 34.047 31.823 0.321 0.000 0.995 838 V HN 0.620 nan 8.190 nan 0.000 0.424 839 K N 3.421 124.072 120.400 0.418 0.000 2.323 839 K HA 0.466 4.697 4.320 -0.148 0.000 0.259 839 K C -0.631 176.137 176.600 0.279 0.000 0.947 839 K CA -0.611 55.891 56.287 0.359 0.000 0.819 839 K CB 1.967 34.667 32.500 0.334 0.000 1.109 839 K HN 0.601 nan 8.250 nan 0.000 0.429 840 Y N 0.865 121.238 120.300 0.121 0.000 2.482 840 Y HA -0.022 4.440 4.550 -0.148 0.000 0.270 840 Y C 0.333 176.163 175.900 -0.116 0.000 1.152 840 Y CA 0.068 58.117 58.100 -0.085 0.000 1.292 840 Y CB 0.394 38.811 38.460 -0.071 0.000 1.070 840 Y HN 0.666 nan 8.280 nan 0.000 0.528 841 D N -3.235 117.225 120.400 0.099 0.000 2.610 841 D HA 0.143 4.694 4.640 -0.148 0.000 0.271 841 D C -0.697 175.639 176.300 0.060 0.000 1.174 841 D CA -0.743 53.284 54.000 0.046 0.000 0.949 841 D CB 0.508 41.339 40.800 0.052 0.000 1.430 841 D HN -0.235 nan 8.370 nan 0.000 0.467 842 D N -0.147 120.275 120.400 0.037 0.000 2.538 842 D HA 0.115 4.667 4.640 -0.148 0.000 0.234 842 D C 0.163 176.478 176.300 0.026 0.000 1.191 842 D CA 0.025 54.049 54.000 0.040 0.000 0.828 842 D CB -0.150 40.665 40.800 0.025 0.000 0.981 842 D HN 0.414 nan 8.370 nan 0.000 0.490 843 S N -0.961 114.755 115.700 0.026 0.000 2.624 843 S HA 0.320 4.701 4.470 -0.148 0.000 0.263 843 S C 0.374 174.971 174.600 -0.005 0.000 1.287 843 S CA -0.754 57.450 58.200 0.006 0.000 0.990 843 S CB 1.811 65.015 63.200 0.006 0.000 0.950 843 S HN -0.099 nan 8.310 nan 0.000 0.561 844 V N 2.392 122.290 119.914 -0.027 0.000 2.408 844 V HA 0.318 4.350 4.120 -0.148 0.000 0.267 844 V C 0.011 176.065 176.094 -0.067 0.000 1.047 844 V CA -0.304 61.965 62.300 -0.051 0.000 0.937 844 V CB 0.556 32.342 31.823 -0.062 0.000 0.999 844 V HN 0.923 nan 8.190 nan 0.000 0.472 845 S N 3.540 119.189 115.700 -0.085 0.000 2.438 845 S HA 0.401 4.782 4.470 -0.148 0.000 0.316 845 S C 0.209 174.702 174.600 -0.179 0.000 1.084 845 S CA -0.498 57.636 58.200 -0.109 0.000 1.107 845 S CB 1.209 64.356 63.200 -0.089 0.000 0.981 845 S HN 0.772 nan 8.310 nan 0.000 0.466 846 T N 4.670 119.106 114.554 -0.196 0.000 2.771 846 T HA 0.393 4.654 4.350 -0.148 0.000 0.291 846 T C -0.078 174.401 174.700 -0.368 0.000 0.954 846 T CA -0.372 61.561 62.100 -0.279 0.000 1.045 846 T CB 0.138 68.876 68.868 -0.216 0.000 0.917 846 T HN 0.349 nan 8.240 nan 0.000 0.484 847 I N 2.658 122.843 120.570 -0.641 0.000 2.378 847 I HA 0.261 4.342 4.170 -0.148 0.000 0.291 847 I C 0.900 176.530 176.117 -0.811 0.000 0.992 847 I CA -0.589 60.236 61.300 -0.791 0.000 1.154 847 I CB 1.009 38.256 38.000 -1.255 0.000 1.315 847 I HN 0.767 nan 8.210 nan 0.000 0.448 848 S N 4.630 120.077 115.700 -0.422 0.000 3.477 848 S HA -0.282 4.100 4.470 -0.148 0.000 0.357 848 S C 0.947 175.401 174.600 -0.244 0.000 1.083 848 S CA 1.240 59.286 58.200 -0.257 0.000 1.042 848 S CB -1.503 61.613 63.200 -0.140 0.000 0.911 848 S HN 0.931 nan 8.310 nan 0.000 0.490 849 N N -0.235 118.305 118.700 -0.267 0.000 2.710 849 N HA -0.270 4.382 4.740 -0.148 0.000 0.249 849 N C 0.473 175.873 175.510 -0.183 0.000 1.059 849 N CA 1.959 54.891 53.050 -0.196 0.000 0.720 849 N CB -0.711 37.710 38.487 -0.109 0.000 0.983 849 N HN 0.837 nan 8.380 nan 0.000 0.544 850 Q N -1.842 117.770 119.800 -0.313 0.000 2.384 850 Q HA 0.252 4.503 4.340 -0.148 0.000 0.264 850 Q C -0.179 175.703 176.000 -0.197 0.000 0.825 850 Q CA 0.755 56.457 55.803 -0.168 0.000 0.984 850 Q CB 0.718 29.438 28.738 -0.030 0.000 1.183 850 Q HN 0.456 nan 8.270 nan 0.000 0.537 851 F N -1.143 118.543 119.950 -0.440 0.000 2.741 851 F HA 0.571 5.009 4.527 -0.148 0.000 0.313 851 F C -1.844 173.623 175.800 -0.556 0.000 1.153 851 F CA -1.253 56.374 58.000 -0.621 0.000 0.931 851 F CB 1.088 39.521 39.000 -0.946 0.000 1.335 851 F HN -0.331 nan 8.300 nan 0.000 0.460 852 Q N 1.526 121.149 119.800 -0.295 0.000 2.375 852 Q HA 0.717 4.968 4.340 -0.148 0.000 0.271 852 Q C -1.301 174.583 176.000 -0.193 0.000 1.074 852 Q CA -1.449 54.206 55.803 -0.247 0.000 0.808 852 Q CB 3.328 31.923 28.738 -0.240 0.000 1.327 852 Q HN 0.723 nan 8.270 nan 0.000 0.441 853 V N 0.079 119.911 119.914 -0.137 0.000 2.513 853 V HA 0.470 4.502 4.120 -0.148 0.000 0.299 853 V C 0.123 176.168 176.094 -0.083 0.000 1.035 853 V CA -0.658 61.551 62.300 -0.152 0.000 0.889 853 V CB 1.047 32.582 31.823 -0.479 0.000 0.988 853 V HN 0.826 nan 8.190 nan 0.000 0.440 854 L N 1.111 122.340 121.223 0.009 0.000 2.731 854 L HA 0.493 4.744 4.340 -0.148 0.000 0.240 854 L C 0.731 177.644 176.870 0.073 0.000 1.120 854 L CA 0.153 55.005 54.840 0.019 0.000 0.913 854 L CB 0.019 42.070 42.059 -0.014 0.000 1.213 854 L HN 0.639 nan 8.230 nan 0.000 0.515 855 K N 0.732 121.241 120.400 0.182 0.000 2.375 855 K HA 0.424 4.655 4.320 -0.148 0.000 0.249 855 K C -0.533 176.271 176.600 0.339 0.000 0.942 855 K CA -0.876 55.522 56.287 0.183 0.000 0.806 855 K CB 2.666 35.194 32.500 0.046 0.000 1.227 855 K HN -0.113 nan 8.250 nan 0.000 0.430 856 R N 0.973 121.608 120.500 0.225 0.000 2.585 856 R HA 0.227 4.478 4.340 -0.148 0.000 0.275 856 R C -0.081 176.435 176.300 0.360 0.000 1.018 856 R CA 1.129 57.356 56.100 0.211 0.000 1.072 856 R CB -0.021 30.288 30.300 0.014 0.000 0.953 856 R HN 0.855 nan 8.270 nan 0.000 0.419 857 G N 1.422 110.478 108.800 0.427 0.000 2.350 857 G HA2 0.136 4.007 3.960 -0.148 0.000 0.282 857 G HA3 0.136 4.007 3.960 -0.148 0.000 0.282 857 G C -1.774 173.189 174.900 0.105 0.000 1.314 857 G CA -0.548 44.665 45.100 0.188 0.000 0.915 857 G HN 0.530 nan 8.290 nan 0.000 0.499 858 V N 0.511 120.276 119.914 -0.249 0.000 2.495 858 V HA 0.763 4.795 4.120 -0.148 0.000 0.298 858 V C -1.045 175.003 176.094 -0.076 0.000 1.031 858 V CA -0.634 61.633 62.300 -0.055 0.000 0.871 858 V CB 1.144 32.888 31.823 -0.131 0.000 0.988 858 V HN 0.664 nan 8.190 nan 0.000 0.432 859 Y N 1.144 121.538 120.300 0.156 0.000 2.536 859 Y HA 0.741 5.202 4.550 -0.148 0.000 0.347 859 Y C 0.276 176.293 175.900 0.195 0.000 1.000 859 Y CA -1.064 57.158 58.100 0.204 0.000 1.051 859 Y CB 2.551 41.171 38.460 0.266 0.000 1.259 859 Y HN 0.505 nan 8.280 nan 0.000 0.468 860 T N 3.931 118.682 114.554 0.329 0.000 3.050 860 T HA 0.609 4.870 4.350 -0.148 0.000 0.310 860 T C -0.823 174.020 174.700 0.237 0.000 0.978 860 T CA -0.403 61.862 62.100 0.275 0.000 1.013 860 T CB 0.285 69.259 68.868 0.175 0.000 1.000 860 T HN 0.393 nan 8.240 nan 0.000 0.447 861 I N 2.393 123.144 120.570 0.303 0.000 2.569 861 I HA 0.621 4.703 4.170 -0.148 0.000 0.296 861 I C -0.022 176.333 176.117 0.396 0.000 1.028 861 I CA -1.015 60.420 61.300 0.226 0.000 1.082 861 I CB 2.347 40.363 38.000 0.026 0.000 1.264 861 I HN 0.266 nan 8.210 nan 0.000 0.429 862 R N 4.917 125.597 120.500 0.300 0.000 2.561 862 R HA 0.448 4.700 4.340 -0.148 0.000 0.297 862 R C -1.237 175.271 176.300 0.347 0.000 0.969 862 R CA -0.817 55.481 56.100 0.330 0.000 0.879 862 R CB 2.013 32.416 30.300 0.170 0.000 1.178 862 R HN 0.586 nan 8.270 nan 0.000 0.445 863 K N 3.064 123.718 120.400 0.422 0.000 2.185 863 K HA 0.218 4.449 4.320 -0.148 0.000 0.269 863 K C -1.151 175.480 176.600 0.052 0.000 0.987 863 K CA -0.325 56.075 56.287 0.189 0.000 0.865 863 K CB 1.203 33.943 32.500 0.400 0.000 1.090 863 K HN 0.578 nan 8.250 nan 0.000 0.450 864 E N 3.281 123.443 120.200 -0.064 0.000 2.325 864 E HA 0.260 4.522 4.350 -0.148 0.000 0.248 864 E C 0.004 176.563 176.600 -0.069 0.000 0.912 864 E CA -0.446 55.933 56.400 -0.034 0.000 0.782 864 E CB 1.542 31.233 29.700 -0.016 0.000 1.264 864 E HN 0.980 nan 8.360 nan 0.000 0.417 865 G N 3.772 112.544 108.800 -0.045 0.000 2.536 865 G HA2 -0.324 3.547 3.960 -0.148 0.000 0.280 865 G HA3 -0.324 3.547 3.960 -0.148 0.000 0.280 865 G C 0.176 175.022 174.900 -0.091 0.000 1.152 865 G CA 0.264 45.338 45.100 -0.043 0.000 0.970 865 G HN 0.606 nan 8.290 nan 0.000 0.549 866 D N 2.087 122.434 120.400 -0.087 0.000 2.368 866 D HA 0.227 4.778 4.640 -0.148 0.000 0.218 866 D C 0.578 176.770 176.300 -0.180 0.000 1.112 866 D CA 0.316 54.253 54.000 -0.106 0.000 0.834 866 D CB 0.446 41.237 40.800 -0.015 0.000 0.953 866 D HN 0.426 nan 8.370 nan 0.000 0.505 867 E N 0.356 120.427 120.200 -0.216 0.000 2.242 867 E HA 0.295 4.556 4.350 -0.148 0.000 0.275 867 E C -0.762 175.636 176.600 -0.338 0.000 1.002 867 E CA -0.516 55.781 56.400 -0.170 0.000 0.841 867 E CB 1.620 31.279 29.700 -0.068 0.000 1.109 867 E HN 0.035 nan 8.360 nan 0.000 0.394 868 Y N 0.844 121.143 120.300 -0.003 0.000 2.338 868 Y HA 0.273 4.734 4.550 -0.148 0.000 0.333 868 Y C -0.109 175.677 175.900 -0.190 0.000 0.968 868 Y CA -0.895 57.141 58.100 -0.108 0.000 1.123 868 Y CB 1.535 39.849 38.460 -0.243 0.000 1.165 868 Y HN 0.127 nan 8.280 nan 0.000 0.452 869 K N 4.040 124.448 120.400 0.014 0.000 2.201 869 K HA 0.623 4.854 4.320 -0.148 0.000 0.278 869 K C -1.059 175.485 176.600 -0.093 0.000 1.027 869 K CA -0.021 56.248 56.287 -0.030 0.000 0.909 869 K CB 0.879 33.389 32.500 0.016 0.000 1.062 869 K HN 0.532 nan 8.250 nan 0.000 0.465 870 I N 1.656 122.146 120.570 -0.132 0.000 2.509 870 I HA 0.555 4.636 4.170 -0.148 0.000 0.293 870 I C -0.694 175.414 176.117 -0.014 0.000 1.020 870 I CA -1.024 60.191 61.300 -0.142 0.000 1.088 870 I CB 2.259 40.081 38.000 -0.297 0.000 1.267 870 I HN 0.559 nan 8.210 nan 0.000 0.430 871 A N 5.680 128.531 122.820 0.052 0.000 2.466 871 A HA 0.571 4.802 4.320 -0.148 0.000 0.291 871 A C -1.538 176.108 177.584 0.103 0.000 1.234 871 A CA -0.356 51.722 52.037 0.067 0.000 0.752 871 A CB 0.493 19.522 19.000 0.048 0.000 1.153 871 A HN 0.637 nan 8.150 nan 0.000 0.458 872 Y N 2.266 122.532 120.300 -0.056 0.000 2.446 872 Y HA 0.706 5.167 4.550 -0.148 0.000 0.338 872 Y C -1.618 174.255 175.900 -0.044 0.000 1.055 872 Y CA -1.318 56.668 58.100 -0.190 0.000 1.101 872 Y CB 1.569 39.861 38.460 -0.280 0.000 1.221 872 Y HN 0.630 nan 8.280 nan 0.000 0.460 873 Y N 5.516 125.086 120.300 -1.218 0.000 2.401 873 Y HA 0.317 4.778 4.550 -0.148 0.000 0.330 873 Y C -1.488 173.795 175.900 -1.029 0.000 1.071 873 Y CA -1.526 56.047 58.100 -0.879 0.000 1.049 873 Y CB 1.438 39.633 38.460 -0.442 0.000 1.239 873 Y HN 0.788 nan 8.280 nan 0.000 0.437 874 N N 8.264 126.243 118.700 -1.203 0.000 2.589 874 N HA 0.285 4.936 4.740 -0.148 0.000 0.232 874 N C -1.966 172.934 175.510 -1.016 0.000 1.015 874 N CA -2.105 50.479 53.050 -0.777 0.000 0.931 874 N CB 1.280 39.602 38.487 -0.276 0.000 1.150 874 N HN 0.369 nan 8.380 nan 0.000 0.512 875 P HA -0.163 nan 4.420 nan 0.000 0.220 875 P C 0.283 177.397 177.300 -0.309 0.000 1.148 875 P CA 1.302 63.979 63.100 -0.705 0.000 0.803 875 P CB 0.401 31.784 31.700 -0.529 0.000 0.782 876 E N -0.168 119.941 120.200 -0.152 0.000 2.076 876 E HA -0.075 4.187 4.350 -0.148 0.000 0.190 876 E C 1.894 178.459 176.600 -0.058 0.000 0.979 876 E CA 1.810 58.191 56.400 -0.031 0.000 0.807 876 E CB -0.461 29.271 29.700 0.053 0.000 0.761 876 E HN 0.380 nan 8.360 nan 0.000 0.454 877 T N -2.139 112.357 114.554 -0.097 0.000 3.060 877 T HA 0.037 4.298 4.350 -0.148 0.000 0.249 877 T C 0.471 175.132 174.700 -0.065 0.000 1.079 877 T CA -0.200 61.866 62.100 -0.057 0.000 1.013 877 T CB 0.136 68.983 68.868 -0.034 0.000 0.975 877 T HN 0.051 nan 8.240 nan 0.000 0.518 878 Q N 0.733 120.435 119.800 -0.163 0.000 2.460 878 Q HA -0.157 4.095 4.340 -0.148 0.000 0.311 878 Q C -0.784 175.254 176.000 0.064 0.000 1.396 878 Q CA 0.707 56.482 55.803 -0.046 0.000 0.838 878 Q CB -1.628 27.166 28.738 0.093 0.000 1.140 878 Q HN 0.755 nan 8.270 nan 0.000 0.415 879 E N -0.815 119.341 120.200 -0.074 0.000 2.383 879 E HA 0.535 4.797 4.350 -0.148 0.000 0.275 879 E C -0.684 175.951 176.600 0.059 0.000 0.918 879 E CA -0.341 56.094 56.400 0.057 0.000 0.764 879 E CB 2.191 31.918 29.700 0.044 0.000 1.252 879 E HN 0.116 nan 8.360 nan 0.000 0.449 880 S N 0.406 116.202 115.700 0.159 0.000 2.414 880 S HA 0.885 5.266 4.470 -0.148 0.000 0.267 880 S C -0.888 173.880 174.600 0.280 0.000 1.165 880 S CA 0.343 58.674 58.200 0.218 0.000 1.028 880 S CB 0.905 64.212 63.200 0.179 0.000 1.154 880 S HN 0.607 nan 8.310 nan 0.000 0.472 881 A N 0.476 123.457 122.820 0.269 0.000 2.583 881 A HA 0.642 4.873 4.320 -0.148 0.000 0.292 881 A C -3.163 174.455 177.584 0.057 0.000 1.045 881 A CA -1.119 50.995 52.037 0.130 0.000 0.672 881 A CB -0.093 18.936 19.000 0.049 0.000 1.283 881 A HN 0.558 nan 8.150 nan 0.000 0.419 882 P HA 0.169 nan 4.420 nan 0.000 0.266 882 P C -0.008 177.294 177.300 0.004 0.000 1.195 882 P CA 0.059 63.170 63.100 0.019 0.000 0.768 882 P CB 0.566 32.276 31.700 0.015 0.000 0.838 883 D N 2.087 122.500 120.400 0.022 0.000 2.133 883 D HA -0.217 4.334 4.640 -0.148 0.000 0.192 883 D C 1.803 178.145 176.300 0.071 0.000 1.001 883 D CA 1.408 55.432 54.000 0.041 0.000 0.844 883 D CB -0.331 40.495 40.800 0.043 0.000 0.944 883 D HN 0.549 nan 8.370 nan 0.000 0.447 884 Q N 1.216 121.048 119.800 0.054 0.000 2.439 884 Q HA -0.149 4.102 4.340 -0.148 0.000 0.211 884 Q C 1.351 177.357 176.000 0.011 0.000 0.978 884 Q CA 1.122 56.952 55.803 0.044 0.000 0.897 884 Q CB -0.397 28.359 28.738 0.030 0.000 0.956 884 Q HN 0.412 nan 8.270 nan 0.000 0.483 885 E N 0.403 120.594 120.200 -0.015 0.000 2.230 885 E HA -0.042 4.219 4.350 -0.148 0.000 0.192 885 E C 1.688 178.242 176.600 -0.078 0.000 0.987 885 E CA 1.167 57.538 56.400 -0.049 0.000 0.841 885 E CB 0.541 30.199 29.700 -0.069 0.000 0.783 885 E HN 0.408 nan 8.360 nan 0.000 0.481 886 V N -2.738 117.130 119.914 -0.076 0.000 3.502 886 V HA 0.332 4.364 4.120 -0.148 0.000 0.288 886 V C -0.148 176.053 176.094 0.178 0.000 1.461 886 V CA -0.497 61.781 62.300 -0.037 0.000 1.029 886 V CB 0.143 31.748 31.823 -0.364 0.000 0.843 886 V HN 0.018 nan 8.190 nan 0.000 0.438 887 F N 1.222 121.146 119.950 -0.044 0.000 2.578 887 F HA 0.791 5.230 4.527 -0.148 0.000 0.311 887 F C -0.805 174.946 175.800 -0.082 0.000 1.094 887 F CA -0.764 57.191 58.000 -0.076 0.000 0.923 887 F CB 1.894 40.828 39.000 -0.109 0.000 1.230 887 F HN -0.113 nan 8.300 nan 0.000 0.450 888 K N 6.091 125.977 120.400 -0.857 0.000 2.615 888 K HA 0.190 4.422 4.320 -0.148 0.000 0.249 888 K C -1.450 174.682 176.600 -0.782 0.000 0.977 888 K CA -0.631 55.305 56.287 -0.585 0.000 0.833 888 K CB 1.966 34.294 32.500 -0.286 0.000 1.208 888 K HN 0.870 nan 8.250 nan 0.000 0.443 889 K N 5.100 125.165 120.400 -0.557 0.000 2.326 889 K HA 0.230 4.461 4.320 -0.148 0.000 0.275 889 K C 0.011 176.509 176.600 -0.170 0.000 1.018 889 K CA -0.310 55.781 56.287 -0.327 0.000 0.962 889 K CB 0.624 33.135 32.500 0.019 0.000 0.953 889 K HN 0.532 nan 8.250 nan 0.000 0.475 890 L N 0.000 121.150 121.223 -0.122 0.000 2.949 890 L HA 0.000 4.251 4.340 -0.148 0.000 0.249 890 L CA 0.000 54.788 54.840 -0.087 0.000 0.813 890 L CB 0.000 41.997 42.059 -0.104 0.000 0.961 890 L HN 0.000 nan 8.230 nan 0.000 0.502