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 3m6a_1_D DATA FIRST_RESID 246 DATA SEQUENCE TGEVQTLTEK IEEAGMPDHV KETALKELNR YEKIPSSSAE SSVIRNYIDW DATA SEQUENCE LVALPWTDET DDKLDLKEAG RLLDEEHHGL EKVKERILEY LAVQKLTKSL DATA SEQUENCE KGPILCLAGP PGVGKTSLAK SIAKSLGRKF VRISLGGXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXRII QGMKKAGKLN PVFLLDEIDK MSXXXXXXXX XAMLEVLDPE DATA SEQUENCE QNSSFSDHYI EETFDLSKVL FIATANNLAT IPGPLRDRME IINIAGYTEI DATA SEQUENCE EKLEIVKDHL LPKQIKEHGL KKSNLQLRDQ AILDIIRYYT REAGVRSLER DATA SEQUENCE QLAAICRKAA KAIVAEERKR ITVTEKNLQD FIGKRIFRYG QAETEDQVGV DATA SEQUENCE VTGLAYTTVG GDTLSIEVSL SPGKGKLILT GKLGDVMRES AQAAFSYVRS DATA SEQUENCE KTEELGIEPD FHEKYDIHIH VPEGAVPKDG PAAGITMATA LVSALTGRAV DATA SEQUENCE SREVGMTGEI TLRGRVLPIG GLKEKALGAH RAGLTTIIAP KDNEKDIEDI DATA SEQUENCE PESVREGLTF ILASHLDEVL EHALV 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 246 T HA 0.000 nan 4.350 nan 0.000 0.228 246 T C 0.000 174.707 174.700 0.012 0.000 1.109 246 T CA 0.000 62.106 62.100 0.011 0.000 1.349 246 T CB 0.000 68.874 68.868 0.010 0.000 0.612 247 G N 1.493 110.301 108.800 0.012 0.000 2.797 247 G HA2 -0.160 3.800 3.960 0.000 0.000 0.686 247 G HA3 -0.160 3.800 3.960 0.000 0.000 0.686 247 G C -0.163 174.746 174.900 0.016 0.000 1.452 247 G CA 0.134 45.243 45.100 0.014 0.000 0.986 247 G HN 0.653 nan 8.290 nan 0.000 0.595 248 E N 0.097 120.307 120.200 0.017 0.000 2.405 248 E HA 0.017 4.367 4.350 0.000 0.000 0.194 248 E C 2.271 178.884 176.600 0.022 0.000 1.149 248 E CA 0.596 57.008 56.400 0.019 0.000 0.933 248 E CB -0.147 29.565 29.700 0.019 0.000 1.028 248 E HN 0.871 nan 8.360 nan 0.000 0.487 249 V N -1.595 118.332 119.914 0.021 0.000 3.510 249 V HA -0.142 3.978 4.120 0.000 0.000 0.270 249 V C 1.578 177.686 176.094 0.023 0.000 1.201 249 V CA 1.276 63.590 62.300 0.023 0.000 1.166 249 V CB -0.604 31.232 31.823 0.021 0.000 0.825 249 V HN 0.305 nan 8.190 nan 0.000 0.484 250 Q N -1.278 118.535 119.800 0.022 0.000 2.459 250 Q HA 0.076 4.416 4.340 0.000 0.000 0.260 250 Q C 1.882 177.897 176.000 0.024 0.000 0.828 250 Q CA 0.700 56.516 55.803 0.022 0.000 0.987 250 Q CB -0.434 28.315 28.738 0.019 0.000 1.216 250 Q HN 0.328 nan 8.270 nan 0.000 0.558 251 T N 2.341 116.909 114.554 0.024 0.000 2.680 251 T HA -0.176 4.174 4.350 0.000 0.000 0.268 251 T C 1.697 176.415 174.700 0.030 0.000 1.033 251 T CA 1.941 64.056 62.100 0.025 0.000 1.152 251 T CB -0.209 68.674 68.868 0.024 0.000 0.859 251 T HN 0.206 nan 8.240 nan 0.000 0.452 252 L N 0.425 121.668 121.223 0.033 0.000 2.187 252 L HA 0.016 4.356 4.340 0.000 0.000 0.197 252 L C 3.142 180.036 176.870 0.039 0.000 1.090 252 L CA 1.354 56.218 54.840 0.040 0.000 0.781 252 L CB -1.526 40.559 42.059 0.044 0.000 0.956 252 L HN 0.323 nan 8.230 nan 0.000 0.463 253 T N -2.035 112.540 114.554 0.036 0.000 2.653 253 T HA -0.288 4.062 4.350 0.000 0.000 0.267 253 T C 1.704 176.422 174.700 0.029 0.000 1.037 253 T CA 1.701 63.821 62.100 0.033 0.000 1.159 253 T CB -0.518 68.367 68.868 0.029 0.000 0.859 253 T HN 0.219 nan 8.240 nan 0.000 0.449 254 E N 1.678 121.894 120.200 0.027 0.000 2.021 254 E HA -0.126 4.224 4.350 0.000 0.000 0.200 254 E C 2.236 178.853 176.600 0.027 0.000 1.015 254 E CA 1.499 57.914 56.400 0.025 0.000 0.824 254 E CB -0.372 29.342 29.700 0.023 0.000 0.762 254 E HN 0.648 nan 8.360 nan 0.000 0.454 255 K N 0.345 120.765 120.400 0.032 0.000 2.574 255 K HA -0.010 4.310 4.320 0.000 0.000 0.193 255 K C 2.075 178.700 176.600 0.041 0.000 1.035 255 K CA 0.231 56.540 56.287 0.037 0.000 0.982 255 K CB -0.043 32.481 32.500 0.041 0.000 0.795 255 K HN 0.176 nan 8.250 nan 0.000 0.491 256 I N 0.510 121.103 120.570 0.038 0.000 2.339 256 I HA -0.166 4.004 4.170 0.000 0.000 0.245 256 I C 2.371 178.499 176.117 0.019 0.000 1.096 256 I CA 0.831 62.154 61.300 0.037 0.000 1.408 256 I CB -0.113 37.910 38.000 0.037 0.000 1.092 256 I HN 0.163 nan 8.210 nan 0.000 0.423 257 E N 2.142 122.350 120.200 0.014 0.000 2.516 257 E HA -0.146 4.204 4.350 0.000 0.000 0.199 257 E C 0.795 177.398 176.600 0.006 0.000 1.069 257 E CA 0.014 56.415 56.400 0.002 0.000 0.876 257 E CB 0.042 29.746 29.700 0.007 0.000 0.843 257 E HN 0.444 nan 8.360 nan 0.000 0.530 258 E N -0.493 119.718 120.200 0.017 0.000 2.485 258 E HA -0.105 4.245 4.350 0.000 0.000 0.266 258 E C 0.948 177.560 176.600 0.021 0.000 1.090 258 E CA 0.413 56.828 56.400 0.023 0.000 0.987 258 E CB 0.707 30.427 29.700 0.034 0.000 0.974 258 E HN 0.108 nan 8.360 nan 0.000 0.455 259 A N 3.888 126.723 122.820 0.026 0.000 1.927 259 A HA -0.139 4.181 4.320 0.000 0.000 0.220 259 A C 1.298 178.905 177.584 0.039 0.000 1.185 259 A CA 1.760 53.814 52.037 0.028 0.000 0.639 259 A CB -1.225 17.795 19.000 0.033 0.000 0.820 259 A HN 0.683 nan 8.150 nan 0.000 0.451 260 G N -2.698 106.136 108.800 0.057 0.000 2.441 260 G HA2 0.399 4.359 3.960 0.000 0.000 0.243 260 G HA3 0.399 4.359 3.960 0.000 0.000 0.243 260 G C 0.116 175.062 174.900 0.076 0.000 1.281 260 G CA 0.247 45.404 45.100 0.096 0.000 0.854 260 G HN 0.734 nan 8.290 nan 0.000 0.560 261 M N 1.218 120.878 119.600 0.101 0.000 2.995 261 M HA -0.137 4.343 4.480 0.000 0.000 0.191 261 M C -2.249 173.946 176.300 -0.175 0.000 1.069 261 M CA -0.025 55.244 55.300 -0.052 0.000 0.748 261 M CB -1.103 31.479 32.600 -0.030 0.000 1.622 261 M HN 0.474 nan 8.290 nan 0.000 0.747 262 P HA 0.041 nan 4.420 nan 0.000 0.213 262 P C 0.160 177.253 177.300 -0.346 0.000 1.176 262 P CA 0.723 63.710 63.100 -0.189 0.000 0.894 262 P CB 0.168 31.844 31.700 -0.039 0.000 0.771 263 D N -0.817 119.415 120.400 -0.279 0.000 2.648 263 D HA -0.091 4.549 4.640 0.000 0.000 0.229 263 D C 0.805 176.941 176.300 -0.275 0.000 1.119 263 D CA 0.852 54.727 54.000 -0.209 0.000 0.850 263 D CB 0.167 40.783 40.800 -0.306 0.000 1.169 263 D HN 0.233 nan 8.370 nan 0.000 0.489 264 H N 1.229 120.222 119.070 -0.128 0.000 2.547 264 H HA 0.085 4.641 4.556 -0.000 0.000 0.272 264 H C 1.975 177.250 175.328 -0.088 0.000 0.971 264 H CA 0.097 56.089 56.048 -0.094 0.000 1.245 264 H CB 0.075 29.802 29.762 -0.058 0.000 1.440 264 H HN 0.213 nan 8.280 nan 0.000 0.540 265 V N 1.655 121.583 119.914 0.022 0.000 2.546 265 V HA -0.317 3.803 4.120 0.000 0.000 0.254 265 V C 2.094 178.168 176.094 -0.035 0.000 1.076 265 V CA 2.394 64.688 62.300 -0.009 0.000 1.087 265 V CB -0.472 31.336 31.823 -0.025 0.000 0.674 265 V HN 0.612 nan 8.190 nan 0.000 0.470 266 K N 0.295 120.631 120.400 -0.106 0.000 2.214 266 K HA 0.004 4.324 4.320 0.000 0.000 0.201 266 K C 2.037 178.598 176.600 -0.066 0.000 1.049 266 K CA 0.906 57.130 56.287 -0.106 0.000 0.978 266 K CB -0.412 31.930 32.500 -0.263 0.000 0.842 266 K HN 0.295 nan 8.250 nan 0.000 0.474 267 E N 0.976 121.113 120.200 -0.106 0.000 2.219 267 E HA -0.184 4.166 4.350 0.000 0.000 0.198 267 E C 1.125 177.718 176.600 -0.013 0.000 0.998 267 E CA 1.794 58.150 56.400 -0.074 0.000 0.818 267 E CB -0.112 29.511 29.700 -0.129 0.000 0.741 267 E HN 0.448 nan 8.360 nan 0.000 0.477 268 T N 0.388 114.945 114.554 0.005 0.000 2.555 268 T HA -0.223 4.127 4.350 0.000 0.000 0.264 268 T C 1.885 176.602 174.700 0.029 0.000 1.083 268 T CA 1.706 63.820 62.100 0.023 0.000 1.179 268 T CB -0.527 68.357 68.868 0.026 0.000 0.863 268 T HN 0.354 nan 8.240 nan 0.000 0.412 269 A N 0.874 123.716 122.820 0.037 0.000 2.139 269 A HA -0.019 4.301 4.320 0.000 0.000 0.221 269 A C 2.199 179.819 177.584 0.061 0.000 1.159 269 A CA 1.114 53.184 52.037 0.054 0.000 0.662 269 A CB -0.908 18.144 19.000 0.086 0.000 0.796 269 A HN 0.472 nan 8.150 nan 0.000 0.463 270 L N -0.980 120.274 121.223 0.052 0.000 1.947 270 L HA -0.134 4.206 4.340 0.000 0.000 0.211 270 L C 2.531 179.431 176.870 0.050 0.000 1.098 270 L CA 1.792 56.668 54.840 0.059 0.000 0.767 270 L CB -0.661 41.417 42.059 0.031 0.000 0.891 270 L HN 0.368 nan 8.230 nan 0.000 0.436 271 K N 0.209 120.630 120.400 0.036 0.000 2.218 271 K HA -0.218 4.102 4.320 0.000 0.000 0.205 271 K C 1.774 178.401 176.600 0.046 0.000 1.046 271 K CA 1.339 57.648 56.287 0.037 0.000 0.933 271 K CB 0.067 32.583 32.500 0.027 0.000 0.728 271 K HN 0.318 nan 8.250 nan 0.000 0.454 272 E N 0.578 120.805 120.200 0.044 0.000 2.007 272 E HA -0.210 4.140 4.350 0.000 0.000 0.203 272 E C 1.808 178.465 176.600 0.094 0.000 1.020 272 E CA 1.566 57.997 56.400 0.052 0.000 0.845 272 E CB -0.186 29.540 29.700 0.042 0.000 0.779 272 E HN 0.286 nan 8.360 nan 0.000 0.466 273 L N 1.626 122.891 121.223 0.072 0.000 2.642 273 L HA -0.132 4.208 4.340 0.000 0.000 0.236 273 L C 2.109 179.029 176.870 0.084 0.000 1.169 273 L CA 0.020 54.902 54.840 0.071 0.000 0.851 273 L CB -0.470 41.487 42.059 -0.170 0.000 0.968 273 L HN 0.223 nan 8.230 nan 0.000 0.453 274 N N 1.297 120.049 118.700 0.086 0.000 2.240 274 N HA -0.107 4.633 4.740 0.000 0.000 0.187 274 N C 1.494 177.064 175.510 0.100 0.000 1.042 274 N CA 0.986 54.083 53.050 0.079 0.000 0.861 274 N CB 0.049 38.571 38.487 0.059 0.000 1.026 274 N HN 0.081 nan 8.380 nan 0.000 0.441 275 R N 0.076 120.623 120.500 0.078 0.000 2.500 275 R HA -0.096 4.245 4.340 0.000 0.000 0.212 275 R C 0.522 176.861 176.300 0.066 0.000 1.330 275 R CA -0.047 56.087 56.100 0.056 0.000 1.262 275 R CB -0.477 29.838 30.300 0.026 0.000 0.998 275 R HN 0.372 nan 8.270 nan 0.000 0.484 276 Y N 0.789 121.079 120.300 -0.017 0.000 3.287 276 Y HA -0.109 4.441 4.550 0.000 0.000 0.222 276 Y C 0.693 176.582 175.900 -0.018 0.000 0.849 276 Y CA 1.106 59.191 58.100 -0.024 0.000 0.934 276 Y CB 0.423 38.861 38.460 -0.037 0.000 1.133 276 Y HN -0.024 nan 8.280 nan 0.000 0.522 277 E N 0.782 121.217 120.200 0.393 0.000 3.351 277 E HA 0.087 4.437 4.350 0.000 0.000 0.220 277 E C 0.488 177.174 176.600 0.144 0.000 1.150 277 E CA -0.200 56.319 56.400 0.198 0.000 1.359 277 E CB 0.824 30.679 29.700 0.258 0.000 1.365 277 E HN 0.207 nan 8.360 nan 0.000 0.434 278 K N 0.798 121.257 120.400 0.098 0.000 2.360 278 K HA -0.061 4.259 4.320 0.000 0.000 0.201 278 K C 0.283 176.910 176.600 0.044 0.000 1.046 278 K CA 0.784 57.107 56.287 0.060 0.000 0.940 278 K CB -0.037 32.490 32.500 0.045 0.000 0.748 278 K HN 0.334 nan 8.250 nan 0.000 0.465 279 I N 2.497 123.091 120.570 0.041 0.000 2.312 279 I HA 0.210 4.380 4.170 0.000 0.000 0.291 279 I C -1.959 174.180 176.117 0.038 0.000 1.031 279 I CA -2.146 59.170 61.300 0.027 0.000 1.293 279 I CB 1.134 39.140 38.000 0.010 0.000 1.403 279 I HN 0.035 nan 8.210 nan 0.000 0.484 280 P HA 0.384 nan 4.420 nan 0.000 0.340 280 P C -0.056 177.257 177.300 0.022 0.000 1.299 280 P CA -0.419 62.695 63.100 0.022 0.000 0.813 280 P CB 0.406 32.116 31.700 0.017 0.000 1.911 281 S N -0.570 115.139 115.700 0.016 0.000 2.647 281 S HA 0.013 4.483 4.470 0.000 0.000 0.251 281 S C 0.973 175.580 174.600 0.013 0.000 1.320 281 S CA -0.004 58.204 58.200 0.013 0.000 0.968 281 S CB -0.761 62.445 63.200 0.010 0.000 1.005 281 S HN 0.475 nan 8.310 nan 0.000 0.576 282 S N 1.360 117.065 115.700 0.008 0.000 4.053 282 S HA 0.147 4.617 4.470 0.000 0.000 0.184 282 S C 0.436 175.037 174.600 0.002 0.000 1.324 282 S CA -0.473 57.730 58.200 0.004 0.000 0.956 282 S CB -1.072 62.129 63.200 0.001 0.000 1.503 282 S HN 0.586 nan 8.310 nan 0.000 0.440 283 S N 2.209 117.913 115.700 0.006 0.000 2.592 283 S HA 0.334 4.804 4.470 0.000 0.000 0.256 283 S C 1.719 176.317 174.600 -0.003 0.000 1.369 283 S CA 0.086 58.289 58.200 0.004 0.000 0.984 283 S CB 0.313 63.520 63.200 0.011 0.000 0.919 283 S HN 0.827 nan 8.310 nan 0.000 0.576 284 A N 1.773 124.590 122.820 -0.004 0.000 2.024 284 A HA -0.100 4.220 4.320 0.000 0.000 0.220 284 A C 2.020 179.593 177.584 -0.017 0.000 1.164 284 A CA 1.702 53.732 52.037 -0.011 0.000 0.643 284 A CB -0.626 18.369 19.000 -0.009 0.000 0.806 284 A HN 0.866 nan 8.150 nan 0.000 0.451 285 E N -0.578 119.616 120.200 -0.010 0.000 2.051 285 E HA -0.083 4.267 4.350 0.000 0.000 0.189 285 E C 2.038 178.619 176.600 -0.032 0.000 0.979 285 E CA 1.124 57.515 56.400 -0.015 0.000 0.803 285 E CB -0.857 28.853 29.700 0.016 0.000 0.761 285 E HN 0.501 nan 8.360 nan 0.000 0.451 286 S N 0.608 116.301 115.700 -0.012 0.000 2.584 286 S HA -0.042 4.428 4.470 0.000 0.000 0.240 286 S C 1.619 176.199 174.600 -0.032 0.000 0.975 286 S CA 0.679 58.870 58.200 -0.015 0.000 0.949 286 S CB -0.085 63.120 63.200 0.007 0.000 0.761 286 S HN 0.071 nan 8.310 nan 0.000 0.536 287 S N -0.203 115.474 115.700 -0.039 0.000 2.492 287 S HA 0.138 4.608 4.470 0.000 0.000 0.218 287 S C 1.529 176.090 174.600 -0.066 0.000 1.016 287 S CA 0.249 58.423 58.200 -0.043 0.000 0.916 287 S CB 0.166 63.345 63.200 -0.034 0.000 0.791 287 S HN 0.370 nan 8.310 nan 0.000 0.513 288 V N 3.039 122.904 119.914 -0.082 0.000 2.270 288 V HA -0.111 4.009 4.120 0.000 0.000 0.218 288 V C 2.157 178.181 176.094 -0.116 0.000 0.997 288 V CA 1.129 63.367 62.300 -0.103 0.000 1.019 288 V CB -0.650 31.104 31.823 -0.115 0.000 0.657 288 V HN 0.345 nan 8.190 nan 0.000 0.470 289 I N 0.446 120.910 120.570 -0.176 0.000 2.479 289 I HA -0.277 3.893 4.170 0.000 0.000 0.258 289 I C 2.594 178.653 176.117 -0.096 0.000 1.165 289 I CA 1.677 62.861 61.300 -0.192 0.000 1.422 289 I CB -1.513 36.227 38.000 -0.434 0.000 1.087 289 I HN 0.501 nan 8.210 nan 0.000 0.441 290 R N 1.254 121.698 120.500 -0.093 0.000 2.159 290 R HA -0.278 4.062 4.340 0.000 0.000 0.252 290 R C 2.139 178.425 176.300 -0.023 0.000 1.144 290 R CA 2.423 58.495 56.100 -0.047 0.000 0.961 290 R CB -0.267 30.008 30.300 -0.041 0.000 0.877 290 R HN 0.344 nan 8.270 nan 0.000 0.444 291 N N -0.447 118.223 118.700 -0.050 0.000 2.336 291 N HA -0.142 4.598 4.740 0.000 0.000 0.177 291 N C 1.488 176.947 175.510 -0.085 0.000 1.018 291 N CA 0.908 53.909 53.050 -0.081 0.000 0.878 291 N CB -0.306 38.080 38.487 -0.167 0.000 0.997 291 N HN 0.339 nan 8.380 nan 0.000 0.433 292 Y N 1.346 121.516 120.300 -0.217 0.000 2.271 292 Y HA -0.233 4.317 4.550 0.000 0.000 0.284 292 Y C 2.263 178.141 175.900 -0.036 0.000 1.189 292 Y CA 1.364 59.359 58.100 -0.175 0.000 1.229 292 Y CB -0.100 38.274 38.460 -0.143 0.000 0.973 292 Y HN 0.131 nan 8.280 nan 0.000 0.537 293 I N -0.606 120.090 120.570 0.210 0.000 2.406 293 I HA -0.245 3.925 4.170 0.000 0.000 0.249 293 I C 1.538 177.752 176.117 0.163 0.000 1.122 293 I CA 1.831 63.247 61.300 0.194 0.000 1.431 293 I CB -0.196 37.878 38.000 0.124 0.000 1.087 293 I HN 0.176 nan 8.210 nan 0.000 0.424 294 D N 0.334 120.815 120.400 0.135 0.000 2.084 294 D HA -0.215 4.425 4.640 0.000 0.000 0.196 294 D C 1.708 178.164 176.300 0.261 0.000 0.985 294 D CA 1.360 55.460 54.000 0.167 0.000 0.826 294 D CB -0.294 40.594 40.800 0.146 0.000 0.978 294 D HN 0.368 nan 8.370 nan 0.000 0.456 295 W N 0.895 122.196 121.300 0.002 0.000 2.313 295 W HA -0.098 4.562 4.660 0.000 0.000 0.293 295 W C 2.045 178.572 176.519 0.014 0.000 1.216 295 W CA 0.507 57.840 57.345 -0.021 0.000 1.223 295 W CB -0.964 28.448 29.460 -0.081 0.000 1.138 295 W HN 0.084 nan 8.180 nan 0.000 0.535 296 L N -0.621 120.767 121.223 0.274 0.000 2.478 296 L HA -0.103 4.237 4.340 0.000 0.000 0.223 296 L C 1.794 178.817 176.870 0.255 0.000 1.140 296 L CA 0.343 55.336 54.840 0.256 0.000 0.842 296 L CB -0.135 42.068 42.059 0.240 0.000 0.953 296 L HN -0.245 nan 8.230 nan 0.000 0.452 297 V N -1.081 118.954 119.914 0.203 0.000 2.788 297 V HA -0.038 4.083 4.120 0.000 0.000 0.251 297 V C 2.391 178.580 176.094 0.158 0.000 1.068 297 V CA 1.305 63.708 62.300 0.172 0.000 1.090 297 V CB -0.238 31.663 31.823 0.130 0.000 0.710 297 V HN 0.451 nan 8.190 nan 0.000 0.467 298 A N -0.313 122.578 122.820 0.118 0.000 1.911 298 A HA 0.222 4.542 4.320 0.000 0.000 0.212 298 A C 1.185 178.768 177.584 -0.002 0.000 1.189 298 A CA 0.115 52.181 52.037 0.048 0.000 0.639 298 A CB -0.329 18.669 19.000 -0.002 0.000 0.839 298 A HN 0.422 nan 8.150 nan 0.000 0.449 299 L N 0.691 121.905 121.223 -0.015 0.000 2.677 299 L HA -0.046 4.294 4.340 0.000 0.000 0.320 299 L C -2.116 174.439 176.870 -0.526 0.000 1.275 299 L CA -0.455 54.238 54.840 -0.244 0.000 0.854 299 L CB -0.229 41.745 42.059 -0.142 0.000 1.086 299 L HN 0.259 nan 8.230 nan 0.000 0.533 300 P HA 0.273 nan 4.420 nan 0.000 0.290 300 P C -1.073 175.551 177.300 -1.125 0.000 1.283 300 P CA -0.298 62.396 63.100 -0.677 0.000 0.869 300 P CB 1.332 32.829 31.700 -0.337 0.000 1.100 301 W N -0.468 120.868 121.300 0.060 0.000 5.384 301 W HA 0.104 4.764 4.660 0.000 0.000 0.169 301 W C 0.683 177.205 176.519 0.005 0.000 2.358 301 W CA 0.187 57.547 57.345 0.025 0.000 2.043 301 W CB -0.211 29.261 29.460 0.018 0.000 0.884 301 W HN 0.041 nan 8.180 nan 0.000 1.055 302 T N 0.650 115.353 114.554 0.248 0.000 3.242 302 T HA 0.219 4.570 4.350 0.000 0.000 0.253 302 T C -0.950 173.801 174.700 0.084 0.000 0.946 302 T CA 0.176 62.356 62.100 0.134 0.000 0.944 302 T CB -0.275 68.662 68.868 0.116 0.000 1.122 302 T HN -0.128 nan 8.240 nan 0.000 0.546 303 D N 1.656 122.091 120.400 0.059 0.000 2.739 303 D HA 0.226 4.866 4.640 0.000 0.000 0.335 303 D C 0.472 176.780 176.300 0.013 0.000 1.216 303 D CA -0.326 53.692 54.000 0.031 0.000 0.808 303 D CB 0.681 41.494 40.800 0.022 0.000 1.121 303 D HN 0.333 nan 8.370 nan 0.000 0.499 304 E N -0.251 119.960 120.200 0.019 0.000 3.473 304 E HA 0.410 4.760 4.350 0.000 0.000 0.309 304 E C 0.086 176.694 176.600 0.014 0.000 1.502 304 E CA 0.000 56.409 56.400 0.015 0.000 1.525 304 E CB 0.558 30.269 29.700 0.019 0.000 1.183 304 E HN 0.260 nan 8.360 nan 0.000 0.757 305 T N -0.899 113.665 114.554 0.016 0.000 2.956 305 T HA 0.300 4.650 4.350 0.000 0.000 0.312 305 T C -1.513 173.198 174.700 0.019 0.000 1.151 305 T CA -1.104 61.006 62.100 0.017 0.000 1.024 305 T CB 1.204 70.083 68.868 0.019 0.000 1.140 305 T HN 0.153 nan 8.240 nan 0.000 0.473 306 D N 2.101 122.511 120.400 0.017 0.000 2.336 306 D HA 0.295 4.935 4.640 0.000 0.000 0.249 306 D C -0.474 175.837 176.300 0.018 0.000 1.213 306 D CA -0.390 53.620 54.000 0.016 0.000 0.870 306 D CB 0.390 41.198 40.800 0.014 0.000 1.076 306 D HN 0.371 nan 8.370 nan 0.000 0.483 307 D N 3.376 123.786 120.400 0.018 0.000 2.455 307 D HA -0.008 4.632 4.640 0.000 0.000 0.234 307 D C 0.192 176.502 176.300 0.016 0.000 1.224 307 D CA -0.041 53.971 54.000 0.020 0.000 0.999 307 D CB 0.345 41.155 40.800 0.017 0.000 1.072 307 D HN 0.088 nan 8.370 nan 0.000 0.514 308 K N 1.941 122.352 120.400 0.018 0.000 2.383 308 K HA 0.210 4.530 4.320 0.000 0.000 0.286 308 K C 0.391 177.001 176.600 0.017 0.000 1.051 308 K CA -0.152 56.145 56.287 0.015 0.000 0.974 308 K CB 1.048 33.558 32.500 0.015 0.000 0.968 308 K HN 0.396 nan 8.250 nan 0.000 0.475 309 L N 2.939 124.170 121.223 0.013 0.000 2.594 309 L HA 0.186 4.526 4.340 0.000 0.000 0.245 309 L C 0.003 176.879 176.870 0.011 0.000 1.460 309 L CA -0.521 54.327 54.840 0.013 0.000 0.865 309 L CB 0.659 42.721 42.059 0.006 0.000 1.131 309 L HN 0.366 nan 8.230 nan 0.000 0.506 310 D N 1.651 122.059 120.400 0.014 0.000 2.499 310 D HA 0.235 4.875 4.640 0.000 0.000 0.225 310 D C 1.242 177.551 176.300 0.014 0.000 1.124 310 D CA -0.290 53.717 54.000 0.012 0.000 0.938 310 D CB 0.928 41.734 40.800 0.011 0.000 1.014 310 D HN 0.288 nan 8.370 nan 0.000 0.517 311 L N 2.457 123.688 121.223 0.014 0.000 2.034 311 L HA -0.271 4.069 4.340 0.000 0.000 0.217 311 L C 2.353 179.233 176.870 0.016 0.000 1.077 311 L CA 1.217 56.067 54.840 0.017 0.000 0.769 311 L CB -0.513 41.555 42.059 0.014 0.000 0.890 311 L HN 0.297 nan 8.230 nan 0.000 0.435 312 K N 0.130 120.537 120.400 0.012 0.000 2.144 312 K HA -0.259 4.061 4.320 0.000 0.000 0.209 312 K C 1.650 178.258 176.600 0.012 0.000 1.047 312 K CA 1.798 58.092 56.287 0.011 0.000 0.927 312 K CB -0.033 32.472 32.500 0.008 0.000 0.716 312 K HN 0.327 nan 8.250 nan 0.000 0.454 313 E N -1.400 118.808 120.200 0.014 0.000 3.033 313 E HA 0.116 4.466 4.350 0.000 0.000 0.420 313 E C 1.387 178.000 176.600 0.022 0.000 0.478 313 E CA 1.057 57.466 56.400 0.016 0.000 2.555 313 E CB -0.388 29.321 29.700 0.015 0.000 1.927 313 E HN 0.165 nan 8.360 nan 0.000 0.499 314 A N -0.267 122.569 122.820 0.026 0.000 1.724 314 A HA -0.425 3.895 4.320 0.000 0.000 0.348 314 A C 2.343 179.950 177.584 0.038 0.000 4.921 314 A CA 3.641 55.699 52.037 0.035 0.000 1.023 314 A CB -2.532 16.490 19.000 0.037 0.000 0.540 314 A HN 0.730 nan 8.150 nan 0.000 0.472 315 G N -2.194 106.626 108.800 0.033 0.000 2.550 315 G HA2 -0.222 3.738 3.960 0.000 0.000 0.222 315 G HA3 -0.222 3.738 3.960 0.000 0.000 0.222 315 G C 1.256 176.175 174.900 0.031 0.000 1.113 315 G CA 1.775 46.893 45.100 0.030 0.000 0.748 315 G HN 0.598 nan 8.290 nan 0.000 0.585 316 R N -0.757 119.760 120.500 0.029 0.000 2.586 316 R HA 0.482 4.822 4.340 0.000 0.000 0.336 316 R C 1.535 177.855 176.300 0.032 0.000 1.060 316 R CA -0.164 55.953 56.100 0.028 0.000 1.079 316 R CB -0.166 30.145 30.300 0.018 0.000 1.317 316 R HN 0.440 nan 8.270 nan 0.000 0.568 317 L N -1.003 120.245 121.223 0.041 0.000 2.500 317 L HA 0.214 4.554 4.340 0.000 0.000 0.219 317 L C 1.107 178.025 176.870 0.081 0.000 1.057 317 L CA 0.463 55.331 54.840 0.045 0.000 0.854 317 L CB 0.182 42.264 42.059 0.038 0.000 1.078 317 L HN 0.160 nan 8.230 nan 0.000 0.480 318 L N 0.202 121.484 121.223 0.098 0.000 2.079 318 L HA -0.225 4.115 4.340 0.000 0.000 0.210 318 L C 1.291 178.265 176.870 0.173 0.000 1.081 318 L CA 1.381 56.318 54.840 0.160 0.000 0.752 318 L CB -0.785 41.327 42.059 0.089 0.000 0.896 318 L HN 0.320 nan 8.230 nan 0.000 0.433 319 D N -0.714 119.747 120.400 0.102 0.000 2.363 319 D HA -0.108 4.532 4.640 0.000 0.000 0.226 319 D C 1.870 178.237 176.300 0.111 0.000 1.020 319 D CA 0.436 54.490 54.000 0.091 0.000 0.892 319 D CB 0.218 41.042 40.800 0.041 0.000 0.900 319 D HN 0.379 nan 8.370 nan 0.000 0.531 320 E N 0.271 120.531 120.200 0.100 0.000 2.307 320 E HA 0.013 4.363 4.350 0.000 0.000 0.195 320 E C 0.590 177.234 176.600 0.073 0.000 0.975 320 E CA 0.377 56.810 56.400 0.055 0.000 0.878 320 E CB 0.403 30.108 29.700 0.009 0.000 0.845 320 E HN 0.152 nan 8.360 nan 0.000 0.488 321 E N -0.599 119.666 120.200 0.107 0.000 2.812 321 E HA 0.170 4.520 4.350 0.000 0.000 0.211 321 E C -1.164 175.272 176.600 -0.274 0.000 0.986 321 E CA -0.080 56.323 56.400 0.006 0.000 1.119 321 E CB 0.839 30.451 29.700 -0.146 0.000 1.046 321 E HN 0.165 nan 8.360 nan 0.000 0.474 322 H N -1.523 117.628 119.070 0.135 0.000 3.086 322 H HA 0.147 4.703 4.556 0.000 0.000 0.353 322 H C 0.073 175.387 175.328 -0.022 0.000 1.134 322 H CA -0.648 55.395 56.048 -0.008 0.000 1.248 322 H CB 1.250 31.031 29.762 0.032 0.000 1.878 322 H HN -0.016 nan 8.280 nan 0.000 0.527 323 H N 2.029 121.031 119.070 -0.113 0.000 2.320 323 H HA 0.037 4.593 4.556 -0.000 0.000 0.312 323 H C 1.455 176.816 175.328 0.055 0.000 1.051 323 H CA 1.603 57.610 56.048 -0.068 0.000 1.339 323 H CB -0.064 29.601 29.762 -0.161 0.000 1.437 323 H HN 0.727 nan 8.280 nan 0.000 0.538 324 G N 0.580 109.474 108.800 0.156 0.000 2.948 324 G HA2 0.074 4.034 3.960 0.000 0.000 0.174 324 G HA3 0.074 4.034 3.960 0.000 0.000 0.174 324 G C 0.620 175.555 174.900 0.057 0.000 1.839 324 G CA 0.483 45.629 45.100 0.076 0.000 0.908 324 G HN 0.628 nan 8.290 nan 0.000 0.419 325 L N 0.041 121.311 121.223 0.078 0.000 3.976 325 L HA -0.244 4.096 4.340 0.000 0.000 0.418 325 L C 1.915 178.778 176.870 -0.012 0.000 1.177 325 L CA 0.704 55.553 54.840 0.014 0.000 0.968 325 L CB -1.571 40.492 42.059 0.007 0.000 1.933 325 L HN 0.538 nan 8.230 nan 0.000 0.976 326 E N 0.798 120.991 120.200 -0.011 0.000 2.033 326 E HA -0.252 4.098 4.350 0.000 0.000 0.199 326 E C 1.895 178.485 176.600 -0.017 0.000 1.011 326 E CA 2.026 58.415 56.400 -0.018 0.000 0.815 326 E CB -0.124 29.564 29.700 -0.019 0.000 0.755 326 E HN 0.500 nan 8.360 nan 0.000 0.451 327 K N 0.431 120.821 120.400 -0.017 0.000 2.097 327 K HA -0.109 4.211 4.320 0.000 0.000 0.206 327 K C 1.951 178.538 176.600 -0.021 0.000 1.049 327 K CA 1.014 57.291 56.287 -0.017 0.000 0.933 327 K CB 0.020 32.509 32.500 -0.018 0.000 0.717 327 K HN -0.002 nan 8.250 nan 0.000 0.442 328 V N 1.188 121.084 119.914 -0.031 0.000 2.626 328 V HA -0.208 3.912 4.120 0.000 0.000 0.252 328 V C 1.848 177.918 176.094 -0.040 0.000 1.067 328 V CA 1.626 63.901 62.300 -0.042 0.000 1.081 328 V CB -0.305 31.481 31.823 -0.062 0.000 0.686 328 V HN 0.297 nan 8.190 nan 0.000 0.468 329 K N 0.212 120.592 120.400 -0.034 0.000 2.044 329 K HA -0.151 4.170 4.320 0.000 0.000 0.204 329 K C 2.156 178.756 176.600 -0.001 0.000 1.049 329 K CA 1.227 57.501 56.287 -0.022 0.000 0.945 329 K CB -0.215 32.276 32.500 -0.015 0.000 0.724 329 K HN 0.285 nan 8.250 nan 0.000 0.440 330 E N 1.081 121.281 120.200 -0.001 0.000 2.284 330 E HA -0.198 4.152 4.350 0.000 0.000 0.200 330 E C 1.513 178.124 176.600 0.017 0.000 1.008 330 E CA 1.290 57.694 56.400 0.007 0.000 0.829 330 E CB 0.114 29.816 29.700 0.002 0.000 0.744 330 E HN 0.057 nan 8.360 nan 0.000 0.491 331 R N -0.529 119.979 120.500 0.013 0.000 2.334 331 R HA 0.142 4.482 4.340 0.000 0.000 0.212 331 R C 1.307 177.636 176.300 0.049 0.000 0.897 331 R CA 0.106 56.222 56.100 0.026 0.000 1.056 331 R CB 0.362 30.666 30.300 0.007 0.000 1.046 331 R HN 0.291 nan 8.270 nan 0.000 0.513 332 I N 0.421 121.015 120.570 0.041 0.000 2.852 332 I HA -0.112 4.058 4.170 0.000 0.000 0.264 332 I C 2.041 178.231 176.117 0.122 0.000 1.179 332 I CA 0.829 62.172 61.300 0.072 0.000 1.480 332 I CB -0.437 37.581 38.000 0.030 0.000 1.111 332 I HN 0.082 nan 8.210 nan 0.000 0.441 333 L N 0.416 121.686 121.223 0.078 0.000 2.095 333 L HA -0.073 4.267 4.340 0.000 0.000 0.204 333 L C 2.429 179.340 176.870 0.069 0.000 1.080 333 L CA 0.926 55.806 54.840 0.067 0.000 0.759 333 L CB -0.578 41.505 42.059 0.040 0.000 0.914 333 L HN 0.172 nan 8.230 nan 0.000 0.439 334 E N -0.008 120.234 120.200 0.070 0.000 2.086 334 E HA -0.313 4.037 4.350 0.000 0.000 0.200 334 E C 1.811 178.466 176.600 0.091 0.000 1.012 334 E CA 1.832 58.272 56.400 0.066 0.000 0.812 334 E CB -0.259 29.480 29.700 0.066 0.000 0.743 334 E HN 0.422 nan 8.360 nan 0.000 0.453 335 Y N 0.404 120.710 120.300 0.009 0.000 2.688 335 Y HA -0.052 4.498 4.550 -0.000 0.000 0.311 335 Y C 1.244 177.155 175.900 0.018 0.000 1.185 335 Y CA 0.549 58.657 58.100 0.015 0.000 1.336 335 Y CB 0.154 38.625 38.460 0.018 0.000 1.015 335 Y HN -0.031 nan 8.280 nan 0.000 0.522 336 L N -2.367 118.858 121.223 0.002 0.000 2.638 336 L HA 0.238 4.578 4.340 0.000 0.000 0.195 336 L C 2.494 179.334 176.870 -0.050 0.000 1.065 336 L CA 0.669 55.483 54.840 -0.042 0.000 0.859 336 L CB -0.986 41.092 42.059 0.031 0.000 1.269 336 L HN -0.023 nan 8.230 nan 0.000 0.484 337 A N 0.129 122.939 122.820 -0.017 0.000 1.997 337 A HA -0.200 4.120 4.320 0.000 0.000 0.221 337 A C 2.264 179.826 177.584 -0.038 0.000 1.172 337 A CA 2.231 54.257 52.037 -0.018 0.000 0.645 337 A CB -0.871 18.127 19.000 -0.003 0.000 0.813 337 A HN 0.199 nan 8.150 nan 0.000 0.454 338 V N -0.455 119.425 119.914 -0.055 0.000 2.453 338 V HA -0.265 3.855 4.120 0.000 0.000 0.247 338 V C 2.693 178.715 176.094 -0.121 0.000 1.048 338 V CA 2.305 64.558 62.300 -0.078 0.000 1.049 338 V CB -0.528 31.245 31.823 -0.082 0.000 0.672 338 V HN 0.848 nan 8.190 nan 0.000 0.457 339 Q N 0.574 120.267 119.800 -0.177 0.000 2.020 339 Q HA -0.289 4.051 4.340 0.000 0.000 0.202 339 Q C 2.290 178.231 176.000 -0.099 0.000 0.982 339 Q CA 2.450 58.140 55.803 -0.187 0.000 0.838 339 Q CB -0.334 28.271 28.738 -0.222 0.000 0.899 339 Q HN 0.551 nan 8.270 nan 0.000 0.423 340 K N -0.152 120.207 120.400 -0.068 0.000 2.077 340 K HA -0.223 4.097 4.320 0.000 0.000 0.213 340 K C 2.025 178.603 176.600 -0.037 0.000 1.051 340 K CA 1.971 58.234 56.287 -0.040 0.000 0.929 340 K CB -0.268 32.216 32.500 -0.026 0.000 0.715 340 K HN 0.300 nan 8.250 nan 0.000 0.451 341 L N -0.013 121.187 121.223 -0.039 0.000 1.948 341 L HA -0.117 4.223 4.340 0.000 0.000 0.212 341 L C 1.228 178.078 176.870 -0.034 0.000 1.074 341 L CA 1.231 56.052 54.840 -0.031 0.000 0.753 341 L CB -0.822 41.220 42.059 -0.029 0.000 0.888 341 L HN 0.081 nan 8.230 nan 0.000 0.432 342 T N 2.017 116.544 114.554 -0.045 0.000 3.333 342 T HA -0.018 4.332 4.350 0.000 0.000 0.240 342 T C 1.226 175.900 174.700 -0.044 0.000 0.961 342 T CA -0.023 62.051 62.100 -0.044 0.000 1.215 342 T CB -0.051 68.784 68.868 -0.055 0.000 1.031 342 T HN 0.156 nan 8.240 nan 0.000 0.709 343 K N 1.245 121.626 120.400 -0.031 0.000 2.286 343 K HA -0.048 4.272 4.320 0.000 0.000 0.203 343 K C 0.735 177.322 176.600 -0.023 0.000 1.045 343 K CA 0.710 56.982 56.287 -0.025 0.000 0.935 343 K CB 0.076 32.567 32.500 -0.016 0.000 0.737 343 K HN 0.333 nan 8.250 nan 0.000 0.460 344 S N 1.008 116.694 115.700 -0.024 0.000 2.438 344 S HA 0.255 4.725 4.470 0.000 0.000 0.316 344 S C -0.149 174.434 174.600 -0.027 0.000 1.084 344 S CA -0.658 57.531 58.200 -0.019 0.000 1.107 344 S CB 1.357 64.549 63.200 -0.013 0.000 0.981 344 S HN 0.204 nan 8.310 nan 0.000 0.466 345 L N 5.019 126.228 121.223 -0.023 0.000 2.615 345 L HA 0.036 4.376 4.340 0.000 0.000 0.284 345 L C 0.415 177.275 176.870 -0.016 0.000 1.237 345 L CA 0.322 55.146 54.840 -0.027 0.000 0.905 345 L CB 0.251 42.318 42.059 0.014 0.000 1.149 345 L HN 0.606 nan 8.230 nan 0.000 0.499 346 K N 3.142 123.529 120.400 -0.021 0.000 2.123 346 K HA 0.487 4.807 4.320 0.000 0.000 0.248 346 K C 0.994 177.605 176.600 0.017 0.000 0.969 346 K CA -0.299 55.984 56.287 -0.007 0.000 0.882 346 K CB 1.226 33.718 32.500 -0.013 0.000 1.080 346 K HN 0.545 nan 8.250 nan 0.000 0.441 347 G N 1.304 110.106 108.800 0.002 0.000 2.732 347 G HA2 -0.213 3.747 3.960 0.000 0.000 0.222 347 G HA3 -0.213 3.747 3.960 0.000 0.000 0.222 347 G C -1.412 173.502 174.900 0.023 0.000 1.203 347 G CA 0.570 45.666 45.100 -0.007 0.000 0.780 347 G HN 0.575 nan 8.290 nan 0.000 0.621 348 P HA 0.209 nan 4.420 nan 0.000 0.256 348 P C -0.421 176.969 177.300 0.150 0.000 1.189 348 P CA 0.268 63.419 63.100 0.084 0.000 0.808 348 P CB -0.010 31.751 31.700 0.102 0.000 0.793 349 I N 1.907 122.531 120.570 0.090 0.000 2.530 349 I HA 0.509 4.679 4.170 0.000 0.000 0.297 349 I C -0.415 175.702 176.117 0.001 0.000 1.011 349 I CA -1.540 59.816 61.300 0.092 0.000 1.107 349 I CB 1.045 39.114 38.000 0.114 0.000 1.285 349 I HN -0.100 nan 8.210 nan 0.000 0.436 350 L N 3.888 125.042 121.223 -0.115 0.000 2.379 350 L HA 0.698 5.038 4.340 0.000 0.000 0.269 350 L C 0.078 176.911 176.870 -0.061 0.000 1.084 350 L CA -0.868 53.891 54.840 -0.136 0.000 0.802 350 L CB 0.617 42.499 42.059 -0.295 0.000 1.175 350 L HN 0.920 nan 8.230 nan 0.000 0.448 351 C N 3.128 122.404 119.300 -0.040 0.000 2.382 351 C HA 0.741 5.202 4.460 0.000 0.000 0.327 351 C C -0.021 174.952 174.990 -0.028 0.000 1.250 351 C CA -0.732 58.277 59.018 -0.015 0.000 1.707 351 C CB 0.010 27.752 27.740 0.004 0.000 2.272 351 C HN 0.783 nan 8.230 nan 0.000 0.506 352 L N 5.545 126.757 121.223 -0.018 0.000 2.292 352 L HA 0.668 5.008 4.340 0.000 0.000 0.284 352 L C 0.510 177.376 176.870 -0.007 0.000 1.065 352 L CA 0.029 54.857 54.840 -0.021 0.000 0.806 352 L CB 1.190 43.238 42.059 -0.018 0.000 1.175 352 L HN 0.889 nan 8.230 nan 0.000 0.431 353 A N 2.432 125.246 122.820 -0.010 0.000 2.393 353 A HA 0.966 5.286 4.320 0.000 0.000 0.306 353 A C -0.232 177.347 177.584 -0.008 0.000 1.050 353 A CA -0.021 52.015 52.037 -0.001 0.000 0.724 353 A CB 1.818 20.822 19.000 0.008 0.000 1.248 353 A HN 0.819 nan 8.150 nan 0.000 0.424 354 G N 0.966 109.760 108.800 -0.009 0.000 2.321 354 G HA2 0.499 4.459 3.960 0.000 0.000 0.298 354 G HA3 0.499 4.459 3.960 0.000 0.000 0.298 354 G C -3.599 171.280 174.900 -0.034 0.000 1.385 354 G CA -0.711 44.371 45.100 -0.030 0.000 0.856 354 G HN 0.554 nan 8.290 nan 0.000 0.584 355 P HA 0.202 nan 4.420 nan 0.000 0.266 355 P C -2.212 175.078 177.300 -0.017 0.000 1.193 355 P CA -0.572 62.496 63.100 -0.053 0.000 0.770 355 P CB 0.102 31.756 31.700 -0.077 0.000 0.836 356 P HA 0.027 nan 4.420 nan 0.000 0.269 356 P C 0.537 177.858 177.300 0.034 0.000 1.209 356 P CA 0.679 63.789 63.100 0.017 0.000 0.776 356 P CB 0.299 32.010 31.700 0.017 0.000 0.876 357 G N 1.432 110.264 108.800 0.053 0.000 2.142 357 G HA2 -0.185 3.775 3.960 0.000 0.000 0.225 357 G HA3 -0.185 3.775 3.960 0.000 0.000 0.225 357 G C 0.295 175.279 174.900 0.141 0.000 1.015 357 G CA 0.037 45.184 45.100 0.078 0.000 0.716 357 G HN 0.546 nan 8.290 nan 0.000 0.508 358 V N -3.808 116.188 119.914 0.137 0.000 3.645 358 V HA 0.707 4.827 4.120 0.000 0.000 0.275 358 V C 1.747 177.979 176.094 0.229 0.000 1.356 358 V CA 1.165 63.598 62.300 0.221 0.000 1.051 358 V CB 0.383 32.223 31.823 0.029 0.000 0.828 358 V HN 2.036 nan 8.190 nan 0.000 0.441 359 G N 0.618 109.511 108.800 0.155 0.000 2.273 359 G HA2 -0.200 3.760 3.960 0.000 0.000 0.162 359 G HA3 -0.200 3.760 3.960 0.000 0.000 0.162 359 G C 0.712 175.677 174.900 0.109 0.000 1.006 359 G CA 0.213 45.417 45.100 0.174 0.000 0.704 359 G HN 0.404 nan 8.290 nan 0.000 0.487 360 K N 0.411 120.848 120.400 0.063 0.000 2.000 360 K HA -0.135 4.185 4.320 0.000 0.000 0.218 360 K C 2.568 179.205 176.600 0.062 0.000 1.053 360 K CA 2.349 58.659 56.287 0.038 0.000 0.946 360 K CB -0.590 31.928 32.500 0.030 0.000 0.723 360 K HN 0.321 nan 8.250 nan 0.000 0.446 361 T N 0.490 115.088 114.554 0.074 0.000 2.699 361 T HA -0.218 4.132 4.350 0.000 0.000 0.268 361 T C 2.102 176.834 174.700 0.054 0.000 1.036 361 T CA 1.835 63.988 62.100 0.089 0.000 1.147 361 T CB -0.401 68.514 68.868 0.077 0.000 0.862 361 T HN 0.306 nan 8.240 nan 0.000 0.446 362 S N 0.608 116.356 115.700 0.080 0.000 2.368 362 S HA 0.015 4.485 4.470 0.000 0.000 0.224 362 S C 2.069 176.801 174.600 0.221 0.000 1.029 362 S CA 0.623 58.888 58.200 0.107 0.000 0.988 362 S CB -0.550 62.747 63.200 0.163 0.000 0.838 362 S HN 0.431 nan 8.310 nan 0.000 0.462 363 L N 1.173 122.522 121.223 0.211 0.000 1.997 363 L HA -0.197 4.143 4.340 0.000 0.000 0.216 363 L C 3.021 179.911 176.870 0.033 0.000 1.074 363 L CA 1.587 56.408 54.840 -0.032 0.000 0.763 363 L CB -0.990 40.956 42.059 -0.189 0.000 0.890 363 L HN 0.484 nan 8.230 nan 0.000 0.434 364 A N 0.022 122.875 122.820 0.054 0.000 1.849 364 A HA -0.295 4.025 4.320 0.000 0.000 0.217 364 A C 2.279 179.891 177.584 0.046 0.000 1.202 364 A CA 2.217 54.334 52.037 0.132 0.000 0.629 364 A CB -0.623 18.546 19.000 0.283 0.000 0.834 364 A HN 0.323 nan 8.150 nan 0.000 0.447 365 K N -0.736 119.469 120.400 -0.325 0.000 2.127 365 K HA -0.176 4.144 4.320 0.000 0.000 0.208 365 K C 2.373 178.830 176.600 -0.239 0.000 1.047 365 K CA 1.630 57.449 56.287 -0.780 0.000 0.927 365 K CB -0.193 31.803 32.500 -0.839 0.000 0.716 365 K HN 0.474 nan 8.250 nan 0.000 0.450 366 S N 0.051 115.712 115.700 -0.065 0.000 2.446 366 S HA 0.002 4.472 4.470 0.000 0.000 0.225 366 S C 1.776 176.410 174.600 0.057 0.000 1.016 366 S CA 0.260 58.480 58.200 0.033 0.000 0.943 366 S CB 0.008 63.317 63.200 0.181 0.000 0.786 366 S HN 0.123 nan 8.310 nan 0.000 0.508 367 I N 2.079 122.690 120.570 0.068 0.000 2.179 367 I HA -0.120 4.050 4.170 0.000 0.000 0.242 367 I C 2.518 178.696 176.117 0.101 0.000 1.088 367 I CA 1.465 62.819 61.300 0.090 0.000 1.357 367 I CB -0.516 37.551 38.000 0.111 0.000 1.051 367 I HN 0.353 nan 8.210 nan 0.000 0.409 368 A N -0.584 122.307 122.820 0.118 0.000 1.929 368 A HA -0.212 4.108 4.320 0.000 0.000 0.216 368 A C 2.347 179.978 177.584 0.080 0.000 1.176 368 A CA 1.519 53.636 52.037 0.134 0.000 0.628 368 A CB -0.530 18.614 19.000 0.240 0.000 0.816 368 A HN 0.328 nan 8.150 nan 0.000 0.444 369 K N -0.062 120.361 120.400 0.040 0.000 2.089 369 K HA -0.200 4.120 4.320 0.000 0.000 0.210 369 K C 2.370 178.990 176.600 0.033 0.000 1.048 369 K CA 1.766 58.065 56.287 0.020 0.000 0.926 369 K CB -0.225 32.272 32.500 -0.005 0.000 0.714 369 K HN 0.456 nan 8.250 nan 0.000 0.448 370 S N 0.067 115.793 115.700 0.043 0.000 2.368 370 S HA -0.112 4.358 4.470 0.000 0.000 0.225 370 S C 1.612 176.239 174.600 0.045 0.000 1.030 370 S CA 1.122 59.348 58.200 0.044 0.000 0.999 370 S CB -0.112 63.120 63.200 0.052 0.000 0.844 370 S HN 0.266 nan 8.310 nan 0.000 0.459 371 L N 1.560 122.817 121.223 0.058 0.000 2.599 371 L HA 0.343 4.683 4.340 0.000 0.000 0.230 371 L C 1.824 178.723 176.870 0.048 0.000 1.141 371 L CA 0.871 55.744 54.840 0.055 0.000 0.877 371 L CB -1.030 41.072 42.059 0.072 0.000 1.009 371 L HN 0.502 nan 8.230 nan 0.000 0.447 372 G N 0.227 109.054 108.800 0.045 0.000 2.233 372 G HA2 -0.362 3.598 3.960 0.000 0.000 0.270 372 G HA3 -0.362 3.598 3.960 0.000 0.000 0.270 372 G C 0.611 175.536 174.900 0.043 0.000 1.011 372 G CA 0.376 45.498 45.100 0.037 0.000 0.762 372 G HN 0.397 nan 8.290 nan 0.000 0.511 373 R N -0.312 120.223 120.500 0.059 0.000 2.500 373 R HA 0.512 4.852 4.340 0.000 0.000 0.275 373 R C 0.486 176.830 176.300 0.074 0.000 1.051 373 R CA -0.837 55.300 56.100 0.061 0.000 1.088 373 R CB 0.728 31.072 30.300 0.072 0.000 1.063 373 R HN -0.027 nan 8.270 nan 0.000 0.511 374 K N 1.426 121.859 120.400 0.056 0.000 2.219 374 K HA 0.134 4.454 4.320 0.000 0.000 0.258 374 K C -0.539 176.121 176.600 0.100 0.000 1.008 374 K CA 0.061 56.385 56.287 0.062 0.000 0.928 374 K CB 0.382 32.891 32.500 0.016 0.000 0.983 374 K HN 0.400 nan 8.250 nan 0.000 0.484 375 F N 0.884 120.800 119.950 -0.055 0.000 2.495 375 F HA 0.402 4.929 4.527 -0.000 0.000 0.327 375 F C -0.966 174.746 175.800 -0.146 0.000 1.103 375 F CA -0.798 57.156 58.000 -0.078 0.000 0.949 375 F CB 1.319 40.286 39.000 -0.055 0.000 1.142 375 F HN 0.066 nan 8.300 nan 0.000 0.457 376 V N 6.426 125.746 119.914 -0.991 0.000 2.569 376 V HA 0.413 4.533 4.120 0.000 0.000 0.301 376 V C -0.409 175.078 176.094 -1.012 0.000 1.044 376 V CA -0.967 60.835 62.300 -0.830 0.000 0.874 376 V CB 1.596 32.892 31.823 -0.879 0.000 1.002 376 V HN 0.808 nan 8.190 nan 0.000 0.424 377 R N 5.219 125.384 120.500 -0.558 0.000 2.438 377 R HA 0.554 4.894 4.340 0.000 0.000 0.287 377 R C -0.727 175.356 176.300 -0.362 0.000 1.077 377 R CA -0.244 55.653 56.100 -0.339 0.000 1.034 377 R CB 0.843 31.102 30.300 -0.068 0.000 0.993 377 R HN 0.807 nan 8.270 nan 0.000 0.459 378 I N 3.201 123.592 120.570 -0.299 0.000 2.542 378 I HA 0.148 4.318 4.170 0.000 0.000 0.278 378 I C -1.079 174.974 176.117 -0.106 0.000 1.069 378 I CA -0.348 60.811 61.300 -0.235 0.000 1.100 378 I CB 1.635 39.454 38.000 -0.302 0.000 1.204 378 I HN 0.585 nan 8.210 nan 0.000 0.470 379 S N 6.823 122.478 115.700 -0.074 0.000 2.549 379 S HA 0.443 4.913 4.470 0.000 0.000 0.279 379 S C 0.335 174.930 174.600 -0.009 0.000 1.321 379 S CA -0.358 57.824 58.200 -0.031 0.000 1.054 379 S CB 0.675 63.861 63.200 -0.023 0.000 0.899 379 S HN 0.726 nan 8.310 nan 0.000 0.497 380 L N 5.070 126.297 121.223 0.008 0.000 3.154 380 L HA 0.325 4.665 4.340 0.000 0.000 0.266 380 L C 1.838 178.723 176.870 0.024 0.000 1.300 380 L CA -0.313 54.541 54.840 0.023 0.000 1.028 380 L CB -0.244 41.837 42.059 0.037 0.000 1.412 380 L HN 0.905 nan 8.230 nan 0.000 0.564 381 G N -0.019 108.793 108.800 0.019 0.000 2.509 381 G HA2 -0.029 3.931 3.960 0.000 0.000 0.218 381 G HA3 -0.029 3.931 3.960 0.000 0.000 0.218 381 G C 0.871 175.785 174.900 0.023 0.000 1.124 381 G CA 0.488 45.600 45.100 0.020 0.000 0.776 381 G HN 0.481 nan 8.290 nan 0.000 0.547 404 I N 1.950 122.579 120.570 0.097 0.000 2.546 404 I HA -0.127 4.043 4.170 0.000 0.000 0.255 404 I C 2.210 178.315 176.117 -0.019 0.000 1.163 404 I CA 0.898 62.261 61.300 0.106 0.000 1.457 404 I CB -0.964 37.028 38.000 -0.014 0.000 1.092 404 I HN 0.231 nan 8.210 nan 0.000 0.434 405 I N 1.059 121.616 120.570 -0.022 0.000 2.419 405 I HA -0.495 3.675 4.170 0.000 0.000 0.229 405 I C 2.648 178.652 176.117 -0.189 0.000 0.948 405 I CA 2.013 63.270 61.300 -0.071 0.000 1.247 405 I CB -1.054 36.959 38.000 0.021 0.000 0.956 405 I HN 0.320 nan 8.210 nan 0.000 0.388 406 Q N 0.649 120.315 119.800 -0.222 0.000 1.948 406 Q HA -0.163 4.177 4.340 0.000 0.000 0.205 406 Q C 2.300 178.149 176.000 -0.251 0.000 0.992 406 Q CA 1.807 57.413 55.803 -0.328 0.000 0.849 406 Q CB -0.792 27.764 28.738 -0.302 0.000 0.918 406 Q HN 0.712 nan 8.270 nan 0.000 0.421 407 G N 1.482 110.169 108.800 -0.188 0.000 3.645 407 G HA2 -0.451 3.509 3.960 0.000 0.000 0.296 407 G HA3 -0.451 3.509 3.960 0.000 0.000 0.296 407 G C 1.201 176.028 174.900 -0.122 0.000 1.048 407 G CA 2.084 47.068 45.100 -0.193 0.000 0.970 407 G HN 0.248 nan 8.290 nan 0.000 1.298 408 M N 0.749 120.350 119.600 0.002 0.000 2.089 408 M HA -0.058 4.422 4.480 0.000 0.000 0.257 408 M C 2.383 178.576 176.300 -0.179 0.000 1.071 408 M CA 2.167 57.403 55.300 -0.106 0.000 1.096 408 M CB -0.575 31.871 32.600 -0.258 0.000 1.330 408 M HN 0.412 nan 8.290 nan 0.000 0.403 409 K N 0.582 120.845 120.400 -0.229 0.000 2.059 409 K HA -0.216 4.104 4.320 0.000 0.000 0.212 409 K C 1.467 177.948 176.600 -0.197 0.000 1.050 409 K CA 1.719 57.867 56.287 -0.232 0.000 0.927 409 K CB -0.357 31.955 32.500 -0.312 0.000 0.714 409 K HN 0.376 nan 8.250 nan 0.000 0.447 410 K N -0.422 119.848 120.400 -0.217 0.000 2.616 410 K HA -0.045 4.275 4.320 0.000 0.000 0.192 410 K C 0.839 177.343 176.600 -0.159 0.000 1.031 410 K CA 0.579 56.751 56.287 -0.192 0.000 1.004 410 K CB 0.108 32.471 32.500 -0.229 0.000 0.810 410 K HN 0.248 nan 8.250 nan 0.000 0.497 411 A N -0.428 122.306 122.820 -0.143 0.000 2.631 411 A HA 0.233 4.553 4.320 0.000 0.000 0.258 411 A C 0.987 178.517 177.584 -0.091 0.000 1.027 411 A CA 0.023 51.998 52.037 -0.104 0.000 1.015 411 A CB 0.115 19.055 19.000 -0.099 0.000 1.206 411 A HN 0.213 nan 8.150 nan 0.000 0.556 412 G N 1.310 110.040 108.800 -0.116 0.000 2.406 412 G HA2 -0.263 3.697 3.960 0.000 0.000 0.311 412 G HA3 -0.263 3.697 3.960 0.000 0.000 0.311 412 G C 0.131 174.969 174.900 -0.104 0.000 0.804 412 G CA 1.395 46.419 45.100 -0.125 0.000 0.875 412 G HN 0.516 nan 8.290 nan 0.000 0.495 413 K N -0.404 119.941 120.400 -0.090 0.000 2.690 413 K HA 0.172 4.492 4.320 0.000 0.000 0.264 413 K C 0.707 177.283 176.600 -0.041 0.000 1.040 413 K CA -0.811 55.443 56.287 -0.055 0.000 0.946 413 K CB 1.134 33.618 32.500 -0.028 0.000 1.268 413 K HN 0.132 nan 8.250 nan 0.000 0.473 414 L N -0.566 120.636 121.223 -0.036 0.000 2.633 414 L HA 0.078 4.418 4.340 0.000 0.000 0.235 414 L C 0.446 177.324 176.870 0.014 0.000 1.163 414 L CA 1.097 55.937 54.840 -0.000 0.000 0.859 414 L CB -0.708 41.370 42.059 0.032 0.000 0.973 414 L HN 0.386 nan 8.230 nan 0.000 0.451 415 N N 1.241 119.948 118.700 0.011 0.000 2.936 415 N HA 0.393 5.133 4.740 0.000 0.000 0.243 415 N C -2.759 172.768 175.510 0.028 0.000 1.149 415 N CA -2.098 50.965 53.050 0.023 0.000 0.914 415 N CB 0.846 39.347 38.487 0.024 0.000 1.179 415 N HN 0.171 nan 8.380 nan 0.000 0.502 416 P HA 0.447 nan 4.420 nan 0.000 0.342 416 P C -1.221 176.109 177.300 0.050 0.000 1.231 416 P CA -0.726 62.401 63.100 0.047 0.000 0.801 416 P CB 1.557 33.317 31.700 0.100 0.000 1.419 417 V N -0.031 119.898 119.914 0.024 0.000 2.445 417 V HA 0.304 4.424 4.120 0.000 0.000 0.283 417 V C -0.762 175.209 176.094 -0.204 0.000 1.014 417 V CA -0.230 62.057 62.300 -0.020 0.000 0.852 417 V CB 0.380 32.256 31.823 0.088 0.000 1.021 417 V HN 0.273 nan 8.190 nan 0.000 0.435 418 F N 4.448 124.057 119.950 -0.567 0.000 2.412 418 F HA 0.555 5.082 4.527 -0.000 0.000 0.348 418 F C 0.082 175.564 175.800 -0.531 0.000 1.102 418 F CA -0.876 56.719 58.000 -0.675 0.000 1.196 418 F CB 1.537 39.956 39.000 -0.967 0.000 1.144 418 F HN 0.360 nan 8.300 nan 0.000 0.541 419 L N 5.822 126.814 121.223 -0.385 0.000 2.356 419 L HA 0.401 4.741 4.340 0.000 0.000 0.264 419 L C -1.131 175.672 176.870 -0.113 0.000 1.029 419 L CA -0.516 54.212 54.840 -0.187 0.000 0.897 419 L CB 0.192 42.156 42.059 -0.159 0.000 1.256 419 L HN 0.248 nan 8.230 nan 0.000 0.444 420 L N 4.525 125.737 121.223 -0.017 0.000 2.652 420 L HA 0.021 4.361 4.340 0.000 0.000 0.284 420 L C 1.466 178.349 176.870 0.022 0.000 1.204 420 L CA 0.600 55.458 54.840 0.029 0.000 1.105 420 L CB -1.173 40.951 42.059 0.108 0.000 1.393 420 L HN 0.699 nan 8.230 nan 0.000 0.452 421 D N 2.990 123.389 120.400 -0.003 0.000 2.106 421 D HA -0.152 4.488 4.640 0.000 0.000 0.194 421 D C 0.215 176.530 176.300 0.025 0.000 0.988 421 D CA 1.417 55.426 54.000 0.014 0.000 0.845 421 D CB 0.537 41.341 40.800 0.008 0.000 0.990 421 D HN 0.581 nan 8.370 nan 0.000 0.448 422 E N 0.283 120.496 120.200 0.022 0.000 2.063 422 E HA 0.289 4.639 4.350 0.000 0.000 0.265 422 E C -0.502 176.117 176.600 0.031 0.000 0.919 422 E CA -0.237 56.179 56.400 0.026 0.000 0.756 422 E CB 1.344 31.058 29.700 0.022 0.000 1.120 422 E HN 0.328 nan 8.360 nan 0.000 0.414 423 I N 1.242 121.833 120.570 0.036 0.000 2.317 423 I HA 0.336 4.506 4.170 0.000 0.000 0.286 423 I C -0.459 175.678 176.117 0.033 0.000 1.119 423 I CA -0.325 60.999 61.300 0.040 0.000 1.228 423 I CB -0.146 37.883 38.000 0.048 0.000 1.476 423 I HN 0.391 nan 8.210 nan 0.000 0.514 424 D N 2.540 122.958 120.400 0.030 0.000 3.060 424 D HA -0.115 4.525 4.640 0.000 0.000 0.590 424 D C 0.269 176.584 176.300 0.025 0.000 0.629 424 D CA -0.240 53.776 54.000 0.027 0.000 1.082 424 D CB -0.406 40.409 40.800 0.025 0.000 1.508 424 D HN 0.432 nan 8.370 nan 0.000 0.290 425 K N 0.805 121.220 120.400 0.025 0.000 3.129 425 K HA 0.416 4.736 4.320 0.000 0.000 0.241 425 K C -0.042 176.573 176.600 0.025 0.000 1.239 425 K CA -0.056 56.245 56.287 0.024 0.000 1.239 425 K CB 0.338 32.852 32.500 0.022 0.000 1.347 425 K HN 0.129 nan 8.250 nan 0.000 0.435 426 M N 1.085 120.701 119.600 0.027 0.000 2.043 426 M HA 0.104 4.584 4.480 0.000 0.000 0.322 426 M C -0.209 176.106 176.300 0.026 0.000 0.962 426 M CA -0.122 55.195 55.300 0.028 0.000 0.927 426 M CB 1.625 34.244 32.600 0.032 0.000 1.466 426 M HN 0.300 nan 8.290 nan 0.000 0.412 438 M N 0.030 119.649 119.600 0.033 0.000 2.514 438 M HA 0.254 4.734 4.480 0.000 0.000 0.258 438 M C 1.338 177.656 176.300 0.029 0.000 1.119 438 M CA 0.526 55.851 55.300 0.042 0.000 1.111 438 M CB -0.294 32.351 32.600 0.075 0.000 1.390 438 M HN 0.122 nan 8.290 nan 0.000 0.475 439 L N 1.573 122.807 121.223 0.018 0.000 2.411 439 L HA -0.405 3.935 4.340 0.000 0.000 0.234 439 L C 2.365 179.232 176.870 -0.006 0.000 1.140 439 L CA 3.013 57.854 54.840 0.002 0.000 0.850 439 L CB -2.399 39.656 42.059 -0.006 0.000 0.970 439 L HN 0.683 nan 8.230 nan 0.000 0.441 440 E N -0.633 119.554 120.200 -0.023 0.000 2.301 440 E HA -0.324 4.027 4.350 0.000 0.000 0.224 440 E C 2.077 178.681 176.600 0.005 0.000 1.092 440 E CA 2.637 59.007 56.400 -0.051 0.000 0.913 440 E CB -0.237 29.385 29.700 -0.130 0.000 0.776 440 E HN 0.355 nan 8.360 nan 0.000 0.465 441 V N -0.242 119.729 119.914 0.094 0.000 2.970 441 V HA -0.119 4.001 4.120 0.000 0.000 0.260 441 V C 1.657 177.720 176.094 -0.052 0.000 1.100 441 V CA 1.623 64.085 62.300 0.270 0.000 1.122 441 V CB -0.026 32.010 31.823 0.356 0.000 0.721 441 V HN 0.318 nan 8.190 nan 0.000 0.483 442 L N -1.297 119.859 121.223 -0.111 0.000 2.717 442 L HA 0.373 4.713 4.340 0.000 0.000 0.239 442 L C 0.926 177.713 176.870 -0.138 0.000 1.086 442 L CA 0.060 54.758 54.840 -0.236 0.000 0.897 442 L CB -0.143 41.798 42.059 -0.197 0.000 1.214 442 L HN 0.064 nan 8.230 nan 0.000 0.508 443 D N 2.572 122.929 120.400 -0.072 0.000 2.479 443 D HA -0.046 4.594 4.640 0.000 0.000 0.257 443 D C -1.559 174.712 176.300 -0.047 0.000 1.230 443 D CA -0.903 53.068 54.000 -0.048 0.000 0.912 443 D CB 1.405 42.186 40.800 -0.032 0.000 1.130 443 D HN -0.049 nan 8.370 nan 0.000 0.515 444 P HA -0.194 nan 4.420 nan 0.000 0.218 444 P C 0.936 178.222 177.300 -0.024 0.000 1.154 444 P CA 1.397 64.475 63.100 -0.038 0.000 0.872 444 P CB 0.256 31.940 31.700 -0.026 0.000 0.790 445 E N -0.991 119.197 120.200 -0.019 0.000 2.072 445 E HA -0.211 4.139 4.350 0.000 0.000 0.191 445 E C 2.186 178.781 176.600 -0.008 0.000 0.985 445 E CA 0.943 57.335 56.400 -0.012 0.000 0.801 445 E CB -0.220 29.473 29.700 -0.012 0.000 0.750 445 E HN 0.366 nan 8.360 nan 0.000 0.452 446 Q N 0.631 120.425 119.800 -0.011 0.000 2.324 446 Q HA -0.103 4.237 4.340 0.000 0.000 0.207 446 Q C 1.800 177.814 176.000 0.024 0.000 0.928 446 Q CA 0.787 56.587 55.803 -0.004 0.000 0.890 446 Q CB 0.158 28.883 28.738 -0.022 0.000 1.001 446 Q HN 0.169 nan 8.270 nan 0.000 0.517 447 N N 0.884 119.596 118.700 0.020 0.000 2.182 447 N HA -0.278 4.462 4.740 0.000 0.000 0.192 447 N C 1.568 177.137 175.510 0.099 0.000 1.007 447 N CA 2.126 55.212 53.050 0.059 0.000 0.873 447 N CB -1.037 37.414 38.487 -0.061 0.000 0.998 447 N HN 0.328 nan 8.380 nan 0.000 0.436 448 S N -0.559 115.175 115.700 0.055 0.000 2.378 448 S HA -0.156 4.314 4.470 0.000 0.000 0.221 448 S C 1.213 175.880 174.600 0.111 0.000 1.037 448 S CA 1.091 59.328 58.200 0.062 0.000 1.069 448 S CB -1.038 62.181 63.200 0.030 0.000 1.006 448 S HN 0.413 nan 8.310 nan 0.000 0.423 449 S N 1.027 116.783 115.700 0.094 0.000 2.422 449 S HA 0.488 4.958 4.470 0.000 0.000 0.283 449 S C -0.990 173.705 174.600 0.158 0.000 1.163 449 S CA -0.833 57.434 58.200 0.111 0.000 1.054 449 S CB -0.705 62.526 63.200 0.050 0.000 0.967 449 S HN 0.364 nan 8.310 nan 0.000 0.499 450 F N 4.892 124.894 119.950 0.087 0.000 2.458 450 F HA 0.602 5.129 4.527 -0.000 0.000 0.336 450 F C 0.294 176.136 175.800 0.069 0.000 1.114 450 F CA -0.387 57.657 58.000 0.072 0.000 0.987 450 F CB 1.675 40.736 39.000 0.102 0.000 1.130 450 F HN 0.626 nan 8.300 nan 0.000 0.458 451 S N 3.092 118.510 115.700 -0.471 0.000 2.739 451 S HA 0.760 5.230 4.470 0.000 0.000 0.306 451 S C -1.432 172.944 174.600 -0.374 0.000 1.115 451 S CA -0.595 57.429 58.200 -0.294 0.000 0.985 451 S CB 2.056 65.063 63.200 -0.321 0.000 1.133 451 S HN 0.716 nan 8.310 nan 0.000 0.541 452 D N -0.692 119.567 120.400 -0.235 0.000 2.633 452 D HA 0.185 4.825 4.640 0.000 0.000 0.198 452 D C -0.782 175.373 176.300 -0.242 0.000 1.273 452 D CA -0.385 53.471 54.000 -0.240 0.000 0.830 452 D CB 0.591 41.418 40.800 0.046 0.000 1.771 452 D HN 0.648 nan 8.370 nan 0.000 0.547 453 H N 2.921 121.854 119.070 -0.229 0.000 2.935 453 H HA 0.010 4.566 4.556 -0.000 0.000 0.376 453 H C 0.384 175.545 175.328 -0.278 0.000 1.307 453 H CA 1.123 56.923 56.048 -0.413 0.000 1.442 453 H CB 0.166 29.379 29.762 -0.914 0.000 1.427 453 H HN 0.727 nan 8.280 nan 0.000 0.615 454 Y N -1.315 119.124 120.300 0.233 0.000 4.079 454 Y HA -0.209 4.341 4.550 0.000 0.000 0.223 454 Y C 1.151 177.161 175.900 0.183 0.000 1.155 454 Y CA 0.235 58.450 58.100 0.191 0.000 1.805 454 Y CB -1.037 37.520 38.460 0.161 0.000 1.571 454 Y HN 0.454 nan 8.280 nan 0.000 0.654 455 I N -0.856 119.879 120.570 0.276 0.000 3.578 455 I HA -0.075 4.095 4.170 0.000 0.000 0.394 455 I C 0.368 176.599 176.117 0.189 0.000 0.857 455 I CA 0.156 61.599 61.300 0.238 0.000 1.092 455 I CB -0.366 37.749 38.000 0.191 0.000 3.302 455 I HN 0.199 nan 8.210 nan 0.000 0.927 456 E N 3.026 123.306 120.200 0.134 0.000 3.580 456 E HA -0.139 4.211 4.350 0.000 0.000 0.260 456 E C 0.188 176.853 176.600 0.109 0.000 0.828 456 E CA 1.281 57.726 56.400 0.075 0.000 0.984 456 E CB -0.102 29.635 29.700 0.062 0.000 0.826 456 E HN 0.318 nan 8.360 nan 0.000 0.555 457 E N 2.113 122.385 120.200 0.120 0.000 2.597 457 E HA 0.032 4.382 4.350 0.000 0.000 0.310 457 E C -0.807 175.912 176.600 0.198 0.000 0.970 457 E CA -0.274 56.215 56.400 0.147 0.000 0.819 457 E CB 1.294 31.100 29.700 0.177 0.000 1.267 457 E HN 0.293 nan 8.360 nan 0.000 0.411 458 T N 2.644 117.289 114.554 0.152 0.000 2.854 458 T HA 0.191 4.541 4.350 0.000 0.000 0.336 458 T C -0.688 174.204 174.700 0.320 0.000 1.095 458 T CA 0.654 62.864 62.100 0.183 0.000 1.118 458 T CB 0.070 69.001 68.868 0.105 0.000 1.025 458 T HN 0.356 nan 8.240 nan 0.000 0.549 459 F N 2.090 122.151 119.950 0.186 0.000 2.628 459 F HA 0.367 4.894 4.527 -0.000 0.000 0.309 459 F C -1.096 174.795 175.800 0.151 0.000 1.108 459 F CA -1.135 56.982 58.000 0.195 0.000 0.971 459 F CB 1.874 41.004 39.000 0.217 0.000 1.279 459 F HN 0.525 nan 8.300 nan 0.000 0.441 460 D N 4.957 125.303 120.400 -0.089 0.000 2.280 460 D HA 0.368 5.008 4.640 0.000 0.000 0.243 460 D C -0.181 176.207 176.300 0.146 0.000 1.129 460 D CA 0.111 54.122 54.000 0.019 0.000 0.848 460 D CB 1.046 41.788 40.800 -0.096 0.000 1.107 460 D HN 0.589 nan 8.370 nan 0.000 0.471 461 L N 3.011 124.318 121.223 0.141 0.000 3.110 461 L HA 0.154 4.494 4.340 0.000 0.000 0.266 461 L C 1.691 178.587 176.870 0.043 0.000 1.257 461 L CA -0.264 54.627 54.840 0.086 0.000 1.038 461 L CB 0.118 42.173 42.059 -0.007 0.000 1.395 461 L HN 0.285 nan 8.230 nan 0.000 0.566 462 S N 0.840 116.561 115.700 0.035 0.000 2.404 462 S HA -0.201 4.269 4.470 0.000 0.000 0.230 462 S C 0.862 175.479 174.600 0.028 0.000 1.046 462 S CA 1.670 59.881 58.200 0.019 0.000 1.135 462 S CB -0.175 63.032 63.200 0.012 0.000 1.056 462 S HN 0.338 nan 8.310 nan 0.000 0.426 463 K N 1.861 122.282 120.400 0.033 0.000 2.142 463 K HA 0.389 4.709 4.320 0.000 0.000 0.250 463 K C -1.409 175.227 176.600 0.060 0.000 1.148 463 K CA 0.033 56.345 56.287 0.042 0.000 1.040 463 K CB 0.539 33.057 32.500 0.030 0.000 1.569 463 K HN 0.051 nan 8.250 nan 0.000 0.361 464 V N 3.057 123.033 119.914 0.103 0.000 2.538 464 V HA 0.093 4.213 4.120 0.000 0.000 0.265 464 V C -0.703 175.556 176.094 0.275 0.000 0.977 464 V CA -0.922 61.461 62.300 0.138 0.000 0.852 464 V CB 1.154 33.087 31.823 0.184 0.000 1.058 464 V HN 0.501 nan 8.190 nan 0.000 0.462 465 L N 4.778 126.111 121.223 0.182 0.000 2.698 465 L HA 0.302 4.642 4.340 0.000 0.000 0.272 465 L C -0.667 176.334 176.870 0.219 0.000 1.154 465 L CA 0.989 55.970 54.840 0.236 0.000 0.964 465 L CB -0.316 41.859 42.059 0.195 0.000 1.272 465 L HN 0.393 nan 8.230 nan 0.000 0.483 466 F N 5.932 125.913 119.950 0.051 0.000 2.399 466 F HA 0.547 5.074 4.527 0.000 0.000 0.334 466 F C 0.664 176.484 175.800 0.033 0.000 1.097 466 F CA -0.430 57.592 58.000 0.037 0.000 1.076 466 F CB 1.173 40.175 39.000 0.003 0.000 1.162 466 F HN 0.269 nan 8.300 nan 0.000 0.495 467 I N 2.010 122.663 120.570 0.140 0.000 2.802 467 I HA 0.648 4.818 4.170 0.000 0.000 0.298 467 I C -0.994 175.165 176.117 0.070 0.000 1.176 467 I CA -1.074 60.273 61.300 0.078 0.000 1.025 467 I CB 2.183 40.216 38.000 0.054 0.000 1.243 467 I HN 0.600 nan 8.210 nan 0.000 0.424 468 A N 3.221 126.072 122.820 0.052 0.000 2.355 468 A HA 0.848 5.168 4.320 0.000 0.000 0.317 468 A C -0.433 177.171 177.584 0.033 0.000 1.094 468 A CA -0.466 51.600 52.037 0.049 0.000 0.764 468 A CB 1.469 20.501 19.000 0.054 0.000 1.230 468 A HN 0.644 nan 8.150 nan 0.000 0.448 469 T N 0.860 115.435 114.554 0.035 0.000 2.927 469 T HA 0.815 5.165 4.350 0.000 0.000 0.281 469 T C 0.030 174.745 174.700 0.026 0.000 0.998 469 T CA 0.477 62.594 62.100 0.030 0.000 1.019 469 T CB 1.482 70.372 68.868 0.036 0.000 1.061 469 T HN 1.932 nan 8.240 nan 0.000 0.518 470 A N 1.213 124.045 122.820 0.021 0.000 2.571 470 A HA 0.574 4.894 4.320 0.000 0.000 0.296 470 A C -0.480 177.114 177.584 0.016 0.000 1.005 470 A CA -0.856 51.194 52.037 0.020 0.000 0.682 470 A CB 0.576 19.589 19.000 0.021 0.000 1.292 470 A HN 0.756 nan 8.150 nan 0.000 0.420 471 N N 0.630 119.341 118.700 0.018 0.000 3.048 471 N HA 0.167 4.907 4.740 0.000 0.000 0.225 471 N C 0.234 175.759 175.510 0.025 0.000 1.103 471 N CA -0.071 52.987 53.050 0.013 0.000 1.182 471 N CB -0.014 38.477 38.487 0.007 0.000 1.553 471 N HN 0.568 nan 8.380 nan 0.000 0.584 472 N N 1.761 120.477 118.700 0.027 0.000 2.466 472 N HA 0.104 4.844 4.740 0.000 0.000 0.263 472 N C 0.274 175.805 175.510 0.035 0.000 1.178 472 N CA 0.061 53.134 53.050 0.038 0.000 0.983 472 N CB -0.033 38.473 38.487 0.032 0.000 1.331 472 N HN 0.297 nan 8.380 nan 0.000 0.500 473 L N 1.949 123.197 121.223 0.041 0.000 2.450 473 L HA -0.211 4.129 4.340 0.000 0.000 0.225 473 L C 1.964 178.849 176.870 0.025 0.000 1.145 473 L CA 0.787 55.646 54.840 0.031 0.000 0.801 473 L CB -0.376 41.702 42.059 0.031 0.000 0.924 473 L HN 0.598 nan 8.230 nan 0.000 0.447 474 A N -0.141 122.695 122.820 0.026 0.000 1.836 474 A HA -0.296 4.024 4.320 0.000 0.000 0.212 474 A C 2.343 179.939 177.584 0.019 0.000 1.243 474 A CA 2.300 54.349 52.037 0.021 0.000 0.620 474 A CB -1.360 17.653 19.000 0.022 0.000 0.889 474 A HN 0.379 nan 8.150 nan 0.000 0.463 475 T N -0.533 114.033 114.554 0.021 0.000 2.814 475 T HA -0.219 4.131 4.350 0.000 0.000 0.264 475 T C 0.790 175.503 174.700 0.021 0.000 1.050 475 T CA 1.386 63.499 62.100 0.020 0.000 1.147 475 T CB -1.060 67.821 68.868 0.022 0.000 0.833 475 T HN 0.304 nan 8.240 nan 0.000 0.498 476 I N 2.537 123.120 120.570 0.021 0.000 2.845 476 I HA 0.060 4.230 4.170 0.000 0.000 0.296 476 I C -2.063 174.065 176.117 0.018 0.000 1.216 476 I CA -1.463 59.850 61.300 0.022 0.000 1.438 476 I CB 0.574 38.587 38.000 0.021 0.000 1.342 476 I HN 0.206 nan 8.210 nan 0.000 0.577 477 P HA 0.071 nan 4.420 nan 0.000 0.276 477 P C 0.835 178.142 177.300 0.013 0.000 1.253 477 P CA -0.087 63.022 63.100 0.016 0.000 0.766 477 P CB 1.072 32.782 31.700 0.018 0.000 0.845 478 G N 6.181 114.986 108.800 0.010 0.000 2.663 478 G HA2 -0.265 3.695 3.960 0.000 0.000 0.222 478 G HA3 -0.265 3.695 3.960 0.000 0.000 0.222 478 G C -0.962 173.942 174.900 0.006 0.000 1.146 478 G CA 1.007 46.112 45.100 0.007 0.000 0.764 478 G HN 0.406 nan 8.290 nan 0.000 0.608 479 P HA -0.118 nan 4.420 nan 0.000 0.217 479 P C 2.091 179.394 177.300 0.006 0.000 1.162 479 P CA 1.029 64.132 63.100 0.005 0.000 0.901 479 P CB -0.102 31.601 31.700 0.006 0.000 0.793 480 L N -1.063 120.166 121.223 0.010 0.000 2.005 480 L HA -0.081 4.259 4.340 0.000 0.000 0.207 480 L C 2.552 179.429 176.870 0.011 0.000 1.072 480 L CA 1.714 56.561 54.840 0.012 0.000 0.744 480 L CB -1.697 40.374 42.059 0.020 0.000 0.895 480 L HN 0.010 nan 8.230 nan 0.000 0.433 481 R N 0.154 120.661 120.500 0.011 0.000 2.276 481 R HA -0.201 4.139 4.340 0.000 0.000 0.243 481 R C 1.376 177.680 176.300 0.007 0.000 1.161 481 R CA 1.594 57.700 56.100 0.010 0.000 1.007 481 R CB 0.026 30.331 30.300 0.009 0.000 0.867 481 R HN 0.460 nan 8.270 nan 0.000 0.472 482 D N -0.514 119.889 120.400 0.005 0.000 2.277 482 D HA -0.027 4.613 4.640 0.000 0.000 0.209 482 D C 1.586 177.888 176.300 0.004 0.000 0.970 482 D CA 0.356 54.358 54.000 0.004 0.000 0.874 482 D CB -0.043 40.758 40.800 0.002 0.000 0.982 482 D HN 0.154 nan 8.370 nan 0.000 0.504 483 R N 0.612 121.113 120.500 0.002 0.000 2.280 483 R HA 0.058 4.398 4.340 0.000 0.000 0.207 483 R C 1.130 177.432 176.300 0.003 0.000 1.043 483 R CA 0.287 56.386 56.100 -0.001 0.000 1.006 483 R CB -0.202 30.093 30.300 -0.008 0.000 0.885 483 R HN 0.375 nan 8.270 nan 0.000 0.467 484 M N -1.047 118.558 119.600 0.008 0.000 2.464 484 M HA 0.407 4.887 4.480 0.000 0.000 0.308 484 M C -0.734 175.571 176.300 0.009 0.000 1.127 484 M CA -0.690 54.617 55.300 0.011 0.000 0.913 484 M CB 2.821 35.429 32.600 0.014 0.000 1.689 484 M HN -0.256 nan 8.290 nan 0.000 0.445 485 E N 3.072 123.275 120.200 0.006 0.000 2.249 485 E HA 0.517 4.867 4.350 0.000 0.000 0.280 485 E C -1.597 174.991 176.600 -0.021 0.000 1.016 485 E CA -0.604 55.797 56.400 0.002 0.000 0.830 485 E CB 1.314 31.026 29.700 0.020 0.000 1.081 485 E HN 0.798 nan 8.360 nan 0.000 0.395 486 I N 5.595 126.157 120.570 -0.015 0.000 2.412 486 I HA 0.348 4.518 4.170 0.000 0.000 0.296 486 I C -0.252 175.850 176.117 -0.025 0.000 0.987 486 I CA -0.834 60.454 61.300 -0.019 0.000 1.180 486 I CB 1.365 39.361 38.000 -0.008 0.000 1.340 486 I HN 0.482 nan 8.210 nan 0.000 0.455 487 I N 5.131 125.681 120.570 -0.034 0.000 2.498 487 I HA 0.317 4.487 4.170 0.000 0.000 0.290 487 I C -0.973 175.127 176.117 -0.028 0.000 1.032 487 I CA -0.779 60.500 61.300 -0.034 0.000 1.073 487 I CB 1.898 39.867 38.000 -0.052 0.000 1.251 487 I HN 0.484 nan 8.210 nan 0.000 0.426 488 N N 6.674 125.360 118.700 -0.023 0.000 2.437 488 N HA 0.464 5.204 4.740 0.000 0.000 0.259 488 N C -0.716 174.770 175.510 -0.040 0.000 0.983 488 N CA -0.558 52.480 53.050 -0.020 0.000 0.937 488 N CB 1.268 39.755 38.487 -0.001 0.000 1.122 488 N HN 0.381 nan 8.380 nan 0.000 0.499 489 I N 0.557 121.096 120.570 -0.052 0.000 2.440 489 I HA 0.356 4.526 4.170 0.000 0.000 0.294 489 I C 0.952 177.002 176.117 -0.113 0.000 0.995 489 I CA -0.490 60.758 61.300 -0.086 0.000 1.306 489 I CB 1.191 39.144 38.000 -0.078 0.000 1.407 489 I HN 0.550 nan 8.210 nan 0.000 0.501 490 A N 4.024 126.739 122.820 -0.174 0.000 1.993 490 A HA 0.622 4.942 4.320 0.000 0.000 0.207 490 A C 1.033 178.482 177.584 -0.225 0.000 1.224 490 A CA 0.701 52.640 52.037 -0.163 0.000 0.749 490 A CB 0.013 18.940 19.000 -0.123 0.000 0.884 490 A HN 1.184 nan 8.150 nan 0.000 0.467 491 G N -2.331 106.216 108.800 -0.422 0.000 2.316 491 G HA2 0.267 4.227 3.960 0.000 0.000 0.349 491 G HA3 0.267 4.227 3.960 0.000 0.000 0.349 491 G C -1.254 173.292 174.900 -0.590 0.000 1.274 491 G CA -0.456 44.402 45.100 -0.404 0.000 1.018 491 G HN 0.628 nan 8.290 nan 0.000 0.486 492 Y N -0.420 119.883 120.300 0.005 0.000 2.519 492 Y HA 0.583 5.134 4.550 0.000 0.000 0.336 492 Y C 0.736 176.655 175.900 0.031 0.000 1.089 492 Y CA -0.251 57.858 58.100 0.016 0.000 1.025 492 Y CB 1.932 40.395 38.460 0.004 0.000 1.318 492 Y HN 0.782 nan 8.280 nan 0.000 0.452 493 T N 0.040 114.713 114.554 0.198 0.000 2.868 493 T HA 0.103 4.453 4.350 0.000 0.000 0.292 493 T C 1.113 175.901 174.700 0.147 0.000 1.028 493 T CA -0.637 61.561 62.100 0.163 0.000 1.059 493 T CB 1.065 70.005 68.868 0.121 0.000 0.991 493 T HN 0.744 nan 8.240 nan 0.000 0.531 494 E N 0.106 120.407 120.200 0.167 0.000 2.086 494 E HA -0.182 4.168 4.350 0.000 0.000 0.200 494 E C 2.059 178.693 176.600 0.056 0.000 1.012 494 E CA 1.006 57.467 56.400 0.100 0.000 0.812 494 E CB -0.125 29.639 29.700 0.107 0.000 0.743 494 E HN 0.481 nan 8.360 nan 0.000 0.453 495 I N 1.558 122.171 120.570 0.072 0.000 2.087 495 I HA -0.319 3.851 4.170 0.000 0.000 0.240 495 I C 2.224 178.320 176.117 -0.035 0.000 1.054 495 I CA 1.592 62.907 61.300 0.025 0.000 1.311 495 I CB -1.176 36.850 38.000 0.043 0.000 1.024 495 I HN 0.195 nan 8.210 nan 0.000 0.402 496 E N 0.455 120.649 120.200 -0.009 0.000 2.013 496 E HA -0.272 4.078 4.350 0.000 0.000 0.202 496 E C 2.198 178.670 176.600 -0.215 0.000 1.018 496 E CA 1.734 58.081 56.400 -0.089 0.000 0.834 496 E CB -0.136 29.642 29.700 0.129 0.000 0.770 496 E HN 0.383 nan 8.360 nan 0.000 0.459 497 K N 0.366 120.677 120.400 -0.149 0.000 2.052 497 K HA -0.261 4.059 4.320 0.000 0.000 0.215 497 K C 2.228 178.718 176.600 -0.184 0.000 1.053 497 K CA 1.688 57.850 56.287 -0.208 0.000 0.934 497 K CB -0.442 32.005 32.500 -0.087 0.000 0.717 497 K HN 0.064 nan 8.250 nan 0.000 0.450 498 L N 1.696 122.846 121.223 -0.122 0.000 2.021 498 L HA -0.258 4.082 4.340 0.000 0.000 0.215 498 L C 1.987 178.778 176.870 -0.132 0.000 1.074 498 L CA 1.953 56.733 54.840 -0.101 0.000 0.760 498 L CB -0.390 41.630 42.059 -0.065 0.000 0.889 498 L HN 0.181 nan 8.230 nan 0.000 0.433 499 E N 0.012 120.096 120.200 -0.193 0.000 2.072 499 E HA -0.177 4.173 4.350 0.000 0.000 0.191 499 E C 2.358 178.831 176.600 -0.211 0.000 0.985 499 E CA 1.735 58.005 56.400 -0.217 0.000 0.801 499 E CB -0.293 29.186 29.700 -0.368 0.000 0.750 499 E HN 0.666 nan 8.360 nan 0.000 0.452 500 I N 0.962 121.340 120.570 -0.320 0.000 2.151 500 I HA -0.279 3.891 4.170 0.000 0.000 0.243 500 I C 2.523 178.553 176.117 -0.145 0.000 1.080 500 I CA 0.958 62.074 61.300 -0.308 0.000 1.339 500 I CB -0.788 36.961 38.000 -0.418 0.000 1.039 500 I HN -0.061 nan 8.210 nan 0.000 0.409 501 V N 1.216 121.051 119.914 -0.133 0.000 2.252 501 V HA -0.337 3.783 4.120 0.000 0.000 0.249 501 V C 2.523 178.593 176.094 -0.040 0.000 1.056 501 V CA 2.187 64.439 62.300 -0.080 0.000 1.022 501 V CB -0.767 31.006 31.823 -0.084 0.000 0.641 501 V HN 0.415 nan 8.190 nan 0.000 0.445 502 K N -0.445 119.932 120.400 -0.038 0.000 2.057 502 K HA -0.129 4.191 4.320 0.000 0.000 0.206 502 K C 1.672 178.280 176.600 0.013 0.000 1.050 502 K CA 1.608 57.882 56.287 -0.021 0.000 0.935 502 K CB -0.171 32.312 32.500 -0.029 0.000 0.715 502 K HN 0.447 nan 8.250 nan 0.000 0.439 503 D N -1.311 119.144 120.400 0.091 0.000 2.360 503 D HA 0.034 4.674 4.640 0.000 0.000 0.210 503 D C 0.865 177.169 176.300 0.006 0.000 1.047 503 D CA 0.743 54.798 54.000 0.091 0.000 0.854 503 D CB 0.488 41.389 40.800 0.170 0.000 0.936 503 D HN 0.274 nan 8.370 nan 0.000 0.514 504 H N -1.120 117.915 119.070 -0.058 0.000 1.985 504 H HA 0.293 4.849 4.556 0.000 0.000 0.159 504 H C 1.895 177.182 175.328 -0.069 0.000 1.010 504 H CA -0.315 55.694 56.048 -0.066 0.000 1.075 504 H CB 0.150 29.865 29.762 -0.079 0.000 0.963 504 H HN -0.194 nan 8.280 nan 0.000 0.330 505 L N 0.476 121.743 121.223 0.072 0.000 1.963 505 L HA -0.204 4.136 4.340 0.000 0.000 0.220 505 L C 2.228 179.093 176.870 -0.008 0.000 1.076 505 L CA 1.434 56.276 54.840 0.003 0.000 0.772 505 L CB -0.349 41.688 42.059 -0.036 0.000 0.892 505 L HN 0.207 nan 8.230 nan 0.000 0.435 506 L N 0.317 121.527 121.223 -0.022 0.000 1.943 506 L HA -0.127 4.213 4.340 0.000 0.000 0.215 506 L C -0.257 176.596 176.870 -0.028 0.000 1.074 506 L CA 2.298 57.115 54.840 -0.039 0.000 0.759 506 L CB -2.326 39.699 42.059 -0.056 0.000 0.888 506 L HN 0.028 nan 8.230 nan 0.000 0.433 507 P HA -0.257 nan 4.420 nan 0.000 0.218 507 P C 1.614 178.903 177.300 -0.019 0.000 1.154 507 P CA 2.052 65.133 63.100 -0.032 0.000 0.872 507 P CB -0.147 31.524 31.700 -0.048 0.000 0.790 508 K N -0.594 119.796 120.400 -0.015 0.000 2.063 508 K HA -0.235 4.085 4.320 0.000 0.000 0.208 508 K C 2.101 178.714 176.600 0.023 0.000 1.048 508 K CA 1.428 57.710 56.287 -0.007 0.000 0.928 508 K CB -0.220 32.275 32.500 -0.009 0.000 0.713 508 K HN 0.045 nan 8.250 nan 0.000 0.442 509 Q N 0.406 120.231 119.800 0.042 0.000 2.137 509 Q HA -0.036 4.304 4.340 0.000 0.000 0.198 509 Q C 2.219 178.320 176.000 0.167 0.000 0.960 509 Q CA 0.757 56.636 55.803 0.126 0.000 0.847 509 Q CB -0.026 28.754 28.738 0.070 0.000 0.915 509 Q HN 0.388 nan 8.270 nan 0.000 0.448 510 I N 1.237 121.836 120.570 0.048 0.000 2.069 510 I HA -0.314 3.856 4.170 0.000 0.000 0.237 510 I C 2.355 178.511 176.117 0.064 0.000 1.053 510 I CA 1.394 62.715 61.300 0.034 0.000 1.311 510 I CB -0.880 37.116 38.000 -0.007 0.000 1.030 510 I HN 0.234 nan 8.210 nan 0.000 0.398 511 K N 0.956 121.374 120.400 0.031 0.000 2.211 511 K HA -0.235 4.085 4.320 0.000 0.000 0.204 511 K C 1.920 178.528 176.600 0.014 0.000 1.047 511 K CA 1.599 57.894 56.287 0.013 0.000 0.935 511 K CB -0.038 32.458 32.500 -0.008 0.000 0.728 511 K HN 0.398 nan 8.250 nan 0.000 0.452 512 E N -0.867 119.351 120.200 0.031 0.000 2.170 512 E HA -0.094 4.256 4.350 0.000 0.000 0.191 512 E C 0.464 177.000 176.600 -0.107 0.000 0.981 512 E CA 0.400 56.778 56.400 -0.037 0.000 0.830 512 E CB 0.143 29.814 29.700 -0.049 0.000 0.775 512 E HN 0.365 nan 8.360 nan 0.000 0.470 513 H N -0.298 118.762 119.070 -0.017 0.000 2.669 513 H HA 0.243 4.799 4.556 -0.000 0.000 0.297 513 H C 0.180 175.502 175.328 -0.011 0.000 1.071 513 H CA 0.436 56.476 56.048 -0.012 0.000 1.182 513 H CB 0.034 29.790 29.762 -0.011 0.000 1.343 513 H HN 0.198 nan 8.280 nan 0.000 0.582 514 G N 1.936 110.762 108.800 0.044 0.000 2.130 514 G HA2 -0.177 3.784 3.960 0.000 0.000 0.234 514 G HA3 -0.177 3.784 3.960 0.000 0.000 0.234 514 G C -0.020 174.902 174.900 0.038 0.000 0.562 514 G CA 1.205 46.322 45.100 0.028 0.000 1.039 514 G HN 0.594 nan 8.290 nan 0.000 0.378 515 L N -2.360 118.883 121.223 0.033 0.000 2.892 515 L HA 0.783 5.123 4.340 0.000 0.000 0.269 515 L C -0.555 176.318 176.870 0.006 0.000 1.058 515 L CA -1.741 53.110 54.840 0.019 0.000 0.923 515 L CB 1.153 43.226 42.059 0.023 0.000 1.518 515 L HN -0.033 nan 8.230 nan 0.000 0.402 516 K N 0.964 121.363 120.400 -0.001 0.000 2.126 516 K HA 0.209 4.529 4.320 0.000 0.000 0.257 516 K C 0.290 176.880 176.600 -0.016 0.000 1.007 516 K CA -0.581 55.701 56.287 -0.009 0.000 0.928 516 K CB 1.829 34.324 32.500 -0.009 0.000 1.013 516 K HN 0.599 nan 8.250 nan 0.000 0.473 517 K N 1.208 121.596 120.400 -0.020 0.000 2.209 517 K HA -0.096 4.224 4.320 0.000 0.000 0.204 517 K C 1.290 177.874 176.600 -0.027 0.000 1.048 517 K CA 1.590 57.861 56.287 -0.027 0.000 0.940 517 K CB -0.305 32.178 32.500 -0.028 0.000 0.729 517 K HN 0.546 nan 8.250 nan 0.000 0.451 518 S N -1.060 114.628 115.700 -0.021 0.000 2.660 518 S HA 0.060 4.530 4.470 0.000 0.000 0.223 518 S C 1.231 175.821 174.600 -0.017 0.000 0.963 518 S CA 0.405 58.594 58.200 -0.019 0.000 0.932 518 S CB -0.347 62.844 63.200 -0.014 0.000 0.775 518 S HN 0.390 nan 8.310 nan 0.000 0.531 519 N N 0.263 118.951 118.700 -0.019 0.000 2.282 519 N HA 0.347 5.087 4.740 0.000 0.000 0.185 519 N C -0.687 174.808 175.510 -0.025 0.000 1.099 519 N CA 0.061 53.102 53.050 -0.016 0.000 0.878 519 N CB 0.532 39.013 38.487 -0.010 0.000 0.993 519 N HN 0.334 nan 8.380 nan 0.000 0.481 520 L N 0.560 121.759 121.223 -0.041 0.000 2.982 520 L HA 0.290 4.630 4.340 0.000 0.000 0.262 520 L C -2.168 174.653 176.870 -0.082 0.000 0.932 520 L CA -0.298 54.501 54.840 -0.068 0.000 1.058 520 L CB 1.362 43.370 42.059 -0.085 0.000 1.665 520 L HN -0.158 nan 8.230 nan 0.000 0.499 521 Q N 3.813 123.557 119.800 -0.092 0.000 2.372 521 Q HA 0.838 5.178 4.340 0.000 0.000 0.273 521 Q C -1.753 174.175 176.000 -0.121 0.000 1.078 521 Q CA -0.907 54.841 55.803 -0.091 0.000 0.806 521 Q CB 2.272 30.972 28.738 -0.064 0.000 1.332 521 Q HN 0.768 nan 8.270 nan 0.000 0.435 522 L N 0.707 121.854 121.223 -0.125 0.000 2.322 522 L HA 0.690 5.030 4.340 0.000 0.000 0.281 522 L C -0.171 176.641 176.870 -0.096 0.000 1.014 522 L CA -1.241 53.517 54.840 -0.137 0.000 0.815 522 L CB 1.394 43.347 42.059 -0.178 0.000 1.247 522 L HN 0.350 nan 8.230 nan 0.000 0.421 523 R N 1.181 121.631 120.500 -0.083 0.000 2.641 523 R HA 0.077 4.417 4.340 0.000 0.000 0.269 523 R C 0.167 176.434 176.300 -0.056 0.000 1.074 523 R CA -0.481 55.584 56.100 -0.059 0.000 1.133 523 R CB 0.930 31.202 30.300 -0.047 0.000 1.029 523 R HN 0.712 nan 8.270 nan 0.000 0.488 524 D N 1.480 121.854 120.400 -0.043 0.000 2.127 524 D HA -0.232 4.408 4.640 0.000 0.000 0.190 524 D C 1.689 177.968 176.300 -0.036 0.000 1.000 524 D CA 1.623 55.600 54.000 -0.039 0.000 0.839 524 D CB -0.041 40.742 40.800 -0.028 0.000 0.955 524 D HN 0.472 nan 8.370 nan 0.000 0.446 525 Q N 0.484 120.267 119.800 -0.029 0.000 2.197 525 Q HA -0.143 4.197 4.340 0.000 0.000 0.207 525 Q C 1.806 177.790 176.000 -0.025 0.000 0.984 525 Q CA 2.032 57.821 55.803 -0.022 0.000 0.869 525 Q CB -0.499 28.228 28.738 -0.018 0.000 0.906 525 Q HN 0.270 nan 8.270 nan 0.000 0.426 526 A N 0.055 122.849 122.820 -0.043 0.000 1.898 526 A HA -0.105 4.215 4.320 0.000 0.000 0.216 526 A C 2.107 179.653 177.584 -0.063 0.000 1.181 526 A CA 1.300 53.302 52.037 -0.057 0.000 0.620 526 A CB -0.638 18.310 19.000 -0.087 0.000 0.819 526 A HN 0.471 nan 8.150 nan 0.000 0.442 527 I N -0.158 120.371 120.570 -0.068 0.000 2.118 527 I HA -0.263 3.907 4.170 0.000 0.000 0.241 527 I C 2.450 178.548 176.117 -0.032 0.000 1.070 527 I CA 1.132 62.393 61.300 -0.066 0.000 1.327 527 I CB -0.527 37.434 38.000 -0.066 0.000 1.034 527 I HN 0.261 nan 8.210 nan 0.000 0.405 528 L N 0.613 121.824 121.223 -0.021 0.000 1.997 528 L HA -0.305 4.035 4.340 0.000 0.000 0.216 528 L C 2.298 179.192 176.870 0.040 0.000 1.074 528 L CA 2.270 57.107 54.840 -0.004 0.000 0.763 528 L CB -1.363 40.688 42.059 -0.013 0.000 0.890 528 L HN 0.301 nan 8.230 nan 0.000 0.434 529 D N -0.257 120.187 120.400 0.072 0.000 2.104 529 D HA -0.185 4.455 4.640 0.000 0.000 0.194 529 D C 2.272 178.734 176.300 0.270 0.000 0.994 529 D CA 0.979 55.108 54.000 0.216 0.000 0.830 529 D CB -0.181 40.688 40.800 0.116 0.000 0.959 529 D HN 0.294 nan 8.370 nan 0.000 0.452 530 I N 0.570 121.176 120.570 0.061 0.000 2.185 530 I HA -0.304 3.866 4.170 0.000 0.000 0.246 530 I C 2.296 178.529 176.117 0.193 0.000 1.088 530 I CA 0.958 62.237 61.300 -0.035 0.000 1.347 530 I CB -0.275 37.644 38.000 -0.135 0.000 1.041 530 I HN 0.061 nan 8.210 nan 0.000 0.415 531 I N 0.187 120.835 120.570 0.129 0.000 2.110 531 I HA -0.263 3.907 4.170 0.000 0.000 0.236 531 I C 2.758 178.961 176.117 0.143 0.000 1.068 531 I CA 1.388 62.758 61.300 0.116 0.000 1.333 531 I CB -0.399 37.626 38.000 0.042 0.000 1.054 531 I HN 0.087 nan 8.210 nan 0.000 0.402 532 R N -0.197 120.338 120.500 0.059 0.000 2.105 532 R HA -0.186 4.154 4.340 0.000 0.000 0.239 532 R C 1.821 178.040 176.300 -0.134 0.000 1.135 532 R CA 1.796 57.807 56.100 -0.148 0.000 0.967 532 R CB -0.245 29.670 30.300 -0.642 0.000 0.861 532 R HN 0.409 nan 8.270 nan 0.000 0.442 533 Y N -3.324 117.125 120.300 0.248 0.000 2.442 533 Y HA 0.135 4.685 4.550 0.000 0.000 0.250 533 Y C 0.481 176.429 175.900 0.079 0.000 1.113 533 Y CA 0.033 58.246 58.100 0.189 0.000 1.273 533 Y CB 0.675 39.182 38.460 0.077 0.000 1.138 533 Y HN 0.003 nan 8.280 nan 0.000 0.522 534 Y N -0.586 119.917 120.300 0.338 0.000 2.527 534 Y HA 0.292 4.842 4.550 -0.000 0.000 0.247 534 Y C 0.381 176.594 175.900 0.522 0.000 1.138 534 Y CA -0.649 57.600 58.100 0.248 0.000 1.228 534 Y CB 0.614 39.147 38.460 0.121 0.000 1.252 534 Y HN -0.134 nan 8.280 nan 0.000 0.531 535 T N -1.758 113.202 114.554 0.677 0.000 3.109 535 T HA 0.476 4.826 4.350 0.000 0.000 0.311 535 T C -0.892 173.739 174.700 -0.115 0.000 1.011 535 T CA -0.851 61.459 62.100 0.350 0.000 1.026 535 T CB 1.789 70.769 68.868 0.187 0.000 1.047 535 T HN 0.196 nan 8.240 nan 0.000 0.448 536 R N 2.906 123.006 120.500 -0.666 0.000 2.664 536 R HA 0.342 4.682 4.340 0.000 0.000 0.281 536 R C 0.102 176.216 176.300 -0.311 0.000 1.383 536 R CA -0.395 55.374 56.100 -0.552 0.000 1.563 536 R CB 0.306 30.128 30.300 -0.796 0.000 1.131 536 R HN 0.885 nan 8.270 nan 0.000 0.599 537 E N 0.361 120.474 120.200 -0.145 0.000 2.355 537 E HA 0.518 4.868 4.350 0.000 0.000 0.261 537 E C -0.568 176.007 176.600 -0.040 0.000 0.943 537 E CA -0.880 55.476 56.400 -0.074 0.000 0.806 537 E CB 1.726 31.416 29.700 -0.016 0.000 1.286 537 E HN 0.172 nan 8.360 nan 0.000 0.424 538 A N 1.120 123.926 122.820 -0.024 0.000 2.063 538 A HA 0.316 4.636 4.320 0.000 0.000 0.211 538 A C 1.140 178.771 177.584 0.078 0.000 1.177 538 A CA 0.813 52.849 52.037 -0.002 0.000 0.759 538 A CB -0.342 18.624 19.000 -0.057 0.000 0.857 538 A HN 0.615 nan 8.150 nan 0.000 0.468 539 G N -0.729 108.118 108.800 0.077 0.000 2.546 539 G HA2 0.365 4.325 3.960 0.000 0.000 0.239 539 G HA3 0.365 4.325 3.960 0.000 0.000 0.239 539 G C 0.511 175.497 174.900 0.144 0.000 1.476 539 G CA 0.834 46.025 45.100 0.151 0.000 1.064 539 G HN 0.916 nan 8.290 nan 0.000 0.561 540 V N -2.806 117.164 119.914 0.093 0.000 3.172 540 V HA 0.450 4.570 4.120 0.000 0.000 0.343 540 V C 1.610 177.719 176.094 0.025 0.000 1.429 540 V CA 0.039 62.355 62.300 0.026 0.000 1.149 540 V CB 0.033 31.820 31.823 -0.060 0.000 1.106 540 V HN 0.604 nan 8.190 nan 0.000 0.526 541 R N 0.846 121.372 120.500 0.042 0.000 2.062 541 R HA -0.069 4.271 4.340 0.000 0.000 0.231 541 R C 2.478 178.806 176.300 0.046 0.000 1.136 541 R CA 1.927 58.051 56.100 0.040 0.000 0.948 541 R CB -0.476 29.850 30.300 0.043 0.000 0.845 541 R HN 0.516 nan 8.270 nan 0.000 0.430 542 S N 0.432 116.168 115.700 0.060 0.000 2.374 542 S HA -0.150 4.320 4.470 0.000 0.000 0.227 542 S C 1.859 176.506 174.600 0.077 0.000 1.037 542 S CA 1.286 59.537 58.200 0.085 0.000 1.024 542 S CB -0.309 62.962 63.200 0.119 0.000 0.861 542 S HN 0.381 nan 8.310 nan 0.000 0.456 543 L N 0.886 122.143 121.223 0.056 0.000 2.042 543 L HA -0.141 4.199 4.340 0.000 0.000 0.210 543 L C 2.681 179.555 176.870 0.006 0.000 1.076 543 L CA 1.905 56.762 54.840 0.028 0.000 0.749 543 L CB -0.460 41.599 42.059 0.001 0.000 0.893 543 L HN 0.487 nan 8.230 nan 0.000 0.432 544 E N -0.363 119.842 120.200 0.009 0.000 2.072 544 E HA -0.238 4.112 4.350 0.000 0.000 0.191 544 E C 2.291 178.900 176.600 0.016 0.000 0.985 544 E CA 0.868 57.271 56.400 0.005 0.000 0.801 544 E CB 0.108 29.814 29.700 0.010 0.000 0.750 544 E HN 0.392 nan 8.360 nan 0.000 0.452 545 R N -0.010 120.509 120.500 0.031 0.000 2.081 545 R HA -0.116 4.224 4.340 0.000 0.000 0.235 545 R C 2.464 178.779 176.300 0.026 0.000 1.131 545 R CA 1.241 57.365 56.100 0.040 0.000 0.960 545 R CB 0.002 30.334 30.300 0.053 0.000 0.856 545 R HN 0.210 nan 8.270 nan 0.000 0.436 546 Q N 0.339 120.151 119.800 0.019 0.000 2.172 546 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 546 Q C 2.263 178.226 176.000 -0.061 0.000 0.964 546 Q CA 0.874 56.670 55.803 -0.012 0.000 0.855 546 Q CB -0.000 28.729 28.738 -0.015 0.000 0.918 546 Q HN 0.390 nan 8.270 nan 0.000 0.444 547 L N 0.276 121.462 121.223 -0.062 0.000 1.955 547 L HA -0.238 4.102 4.340 0.000 0.000 0.213 547 L C 2.531 179.329 176.870 -0.119 0.000 1.072 547 L CA 1.400 56.182 54.840 -0.097 0.000 0.755 547 L CB -0.772 41.243 42.059 -0.074 0.000 0.888 547 L HN 0.152 nan 8.230 nan 0.000 0.432 548 A N -0.104 122.671 122.820 -0.076 0.000 1.884 548 A HA -0.336 3.984 4.320 0.000 0.000 0.219 548 A C 2.509 179.998 177.584 -0.158 0.000 1.197 548 A CA 2.389 54.352 52.037 -0.125 0.000 0.637 548 A CB -1.101 17.961 19.000 0.103 0.000 0.827 548 A HN 0.505 nan 8.150 nan 0.000 0.450 549 A N -0.018 122.774 122.820 -0.047 0.000 1.916 549 A HA -0.310 4.010 4.320 0.000 0.000 0.224 549 A C 2.137 179.700 177.584 -0.035 0.000 1.366 549 A CA 2.344 54.370 52.037 -0.018 0.000 0.692 549 A CB -0.981 18.021 19.000 0.003 0.000 0.841 549 A HN 0.637 nan 8.150 nan 0.000 0.480 550 I N -1.389 119.132 120.570 -0.083 0.000 2.162 550 I HA -0.266 3.904 4.170 0.000 0.000 0.238 550 I C 2.598 178.618 176.117 -0.162 0.000 1.076 550 I CA 1.183 62.425 61.300 -0.096 0.000 1.353 550 I CB -1.000 36.845 38.000 -0.257 0.000 1.063 550 I HN 0.433 nan 8.210 nan 0.000 0.408 551 C N 0.808 119.928 119.300 -0.299 0.000 2.382 551 C HA -0.250 4.210 4.460 0.000 0.000 0.274 551 C C 3.046 177.819 174.990 -0.361 0.000 1.180 551 C CA 1.451 60.213 59.018 -0.426 0.000 1.799 551 C CB -1.307 25.949 27.740 -0.807 0.000 2.094 551 C HN 0.418 nan 8.230 nan 0.000 0.468 552 R N 0.448 120.756 120.500 -0.321 0.000 2.070 552 R HA -0.079 4.261 4.340 0.000 0.000 0.227 552 R C 2.524 178.833 176.300 0.015 0.000 1.147 552 R CA 1.174 57.237 56.100 -0.061 0.000 0.924 552 R CB -0.341 29.969 30.300 0.017 0.000 0.827 552 R HN 0.278 nan 8.270 nan 0.000 0.431 553 K N 0.416 120.845 120.400 0.048 0.000 2.097 553 K HA -0.263 4.057 4.320 0.000 0.000 0.214 553 K C 1.877 178.547 176.600 0.117 0.000 1.052 553 K CA 1.991 58.338 56.287 0.100 0.000 0.932 553 K CB -0.533 32.103 32.500 0.228 0.000 0.716 553 K HN 0.299 nan 8.250 nan 0.000 0.455 554 A N 0.726 123.620 122.820 0.123 0.000 1.859 554 A HA -0.214 4.106 4.320 0.000 0.000 0.217 554 A C 2.410 180.028 177.584 0.055 0.000 1.198 554 A CA 2.991 55.086 52.037 0.096 0.000 0.629 554 A CB -0.993 18.006 19.000 -0.002 0.000 0.830 554 A HN 0.456 nan 8.150 nan 0.000 0.446 555 A N -0.548 122.292 122.820 0.035 0.000 1.859 555 A HA -0.251 4.069 4.320 0.000 0.000 0.217 555 A C 2.181 179.787 177.584 0.036 0.000 1.198 555 A CA 2.300 54.361 52.037 0.039 0.000 0.629 555 A CB -0.631 18.405 19.000 0.059 0.000 0.830 555 A HN 0.445 nan 8.150 nan 0.000 0.446 556 K N -0.116 120.305 120.400 0.035 0.000 2.107 556 K HA -0.245 4.075 4.320 0.000 0.000 0.211 556 K C 2.156 178.766 176.600 0.016 0.000 1.049 556 K CA 1.724 58.025 56.287 0.022 0.000 0.927 556 K CB -0.564 31.945 32.500 0.015 0.000 0.714 556 K HN 0.436 nan 8.250 nan 0.000 0.452 557 A N 1.894 124.728 122.820 0.022 0.000 1.841 557 A HA -0.186 4.134 4.320 0.000 0.000 0.216 557 A C 2.062 179.656 177.584 0.017 0.000 1.199 557 A CA 1.861 53.909 52.037 0.019 0.000 0.621 557 A CB -0.632 18.389 19.000 0.035 0.000 0.835 557 A HN 0.327 nan 8.150 nan 0.000 0.445 558 I N 0.179 120.763 120.570 0.022 0.000 2.399 558 I HA -0.202 3.968 4.170 0.000 0.000 0.254 558 I C 2.298 178.422 176.117 0.012 0.000 1.146 558 I CA 1.294 62.604 61.300 0.016 0.000 1.412 558 I CB -1.617 36.393 38.000 0.017 0.000 1.076 558 I HN 0.161 nan 8.210 nan 0.000 0.432 559 V N 0.840 120.762 119.914 0.013 0.000 2.300 559 V HA -0.021 4.099 4.120 0.000 0.000 0.241 559 V C 2.523 178.621 176.094 0.006 0.000 1.034 559 V CA 1.380 63.686 62.300 0.010 0.000 1.021 559 V CB -0.995 30.834 31.823 0.011 0.000 0.662 559 V HN 0.415 nan 8.190 nan 0.000 0.458 560 A N 0.536 123.359 122.820 0.005 0.000 2.243 560 A HA -0.176 4.144 4.320 0.000 0.000 0.195 560 A C 1.970 179.555 177.584 0.001 0.000 1.405 560 A CA 1.520 53.558 52.037 0.001 0.000 0.651 560 A CB -1.022 17.977 19.000 -0.002 0.000 1.010 560 A HN 0.489 nan 8.150 nan 0.000 0.506 561 E N -1.118 119.081 120.200 -0.001 0.000 2.271 561 E HA -0.253 4.097 4.350 0.000 0.000 0.209 561 E C 0.774 177.375 176.600 0.002 0.000 1.046 561 E CA 1.648 58.048 56.400 -0.001 0.000 0.840 561 E CB -0.239 29.461 29.700 -0.001 0.000 0.738 561 E HN 0.682 nan 8.360 nan 0.000 0.470 562 E N -1.758 118.444 120.200 0.004 0.000 4.067 562 E HA -0.304 4.046 4.350 0.000 0.000 0.346 562 E C -0.358 176.245 176.600 0.005 0.000 0.613 562 E CA 0.888 57.290 56.400 0.004 0.000 1.252 562 E CB -1.239 28.463 29.700 0.002 0.000 1.731 562 E HN 0.450 nan 8.360 nan 0.000 0.406 563 R N 1.813 122.317 120.500 0.006 0.000 2.560 563 R HA -0.100 4.240 4.340 0.000 0.000 0.296 563 R C 0.641 176.945 176.300 0.007 0.000 0.873 563 R CA 1.017 57.121 56.100 0.006 0.000 1.140 563 R CB 0.086 30.392 30.300 0.010 0.000 0.875 563 R HN 0.113 nan 8.270 nan 0.000 0.419 564 K N 1.960 122.362 120.400 0.003 0.000 2.504 564 K HA -0.062 4.258 4.320 0.000 0.000 0.195 564 K C 0.353 176.954 176.600 0.000 0.000 1.036 564 K CA 0.499 56.787 56.287 0.001 0.000 0.984 564 K CB 0.218 32.717 32.500 -0.001 0.000 0.788 564 K HN 0.562 nan 8.250 nan 0.000 0.488 565 R N 0.628 121.130 120.500 0.003 0.000 2.725 565 R HA 0.367 4.707 4.340 0.000 0.000 0.277 565 R C -1.701 174.605 176.300 0.010 0.000 0.987 565 R CA -0.527 55.573 56.100 -0.000 0.000 0.901 565 R CB 1.276 31.573 30.300 -0.005 0.000 1.207 565 R HN 0.015 nan 8.270 nan 0.000 0.463 566 I N 2.614 123.186 120.570 0.004 0.000 2.529 566 I HA 0.179 4.349 4.170 0.000 0.000 0.284 566 I C -0.786 175.321 176.117 -0.017 0.000 1.088 566 I CA -0.509 60.806 61.300 0.025 0.000 1.062 566 I CB 2.632 40.660 38.000 0.046 0.000 1.218 566 I HN 0.529 nan 8.210 nan 0.000 0.442 567 T N 5.732 120.285 114.554 -0.002 0.000 2.874 567 T HA 0.204 4.554 4.350 0.000 0.000 0.321 567 T C -0.295 174.374 174.700 -0.052 0.000 1.075 567 T CA -0.246 61.829 62.100 -0.041 0.000 0.966 567 T CB 1.254 70.107 68.868 -0.023 0.000 1.001 567 T HN 0.335 nan 8.240 nan 0.000 0.476 568 V N 4.529 124.338 119.914 -0.175 0.000 2.488 568 V HA 0.655 4.775 4.120 0.000 0.000 0.277 568 V C 0.174 176.192 176.094 -0.127 0.000 1.046 568 V CA 0.481 62.641 62.300 -0.233 0.000 0.986 568 V CB 1.209 32.664 31.823 -0.613 0.000 0.989 568 V HN 0.829 nan 8.190 nan 0.000 0.475 569 T N 3.264 117.789 114.554 -0.048 0.000 2.858 569 T HA 0.377 4.727 4.350 0.000 0.000 0.285 569 T C 0.959 175.642 174.700 -0.028 0.000 1.052 569 T CA 0.114 62.192 62.100 -0.036 0.000 1.009 569 T CB 1.725 70.585 68.868 -0.012 0.000 1.241 569 T HN 0.883 nan 8.240 nan 0.000 0.542 570 E N 0.607 120.790 120.200 -0.028 0.000 2.401 570 E HA -0.093 4.257 4.350 0.000 0.000 0.199 570 E C 1.067 177.656 176.600 -0.019 0.000 1.023 570 E CA 0.764 57.147 56.400 -0.028 0.000 0.859 570 E CB 0.116 29.799 29.700 -0.029 0.000 0.780 570 E HN 0.233 nan 8.360 nan 0.000 0.523 571 K N 0.886 121.283 120.400 -0.004 0.000 2.287 571 K HA 0.109 4.429 4.320 0.000 0.000 0.199 571 K C 1.481 178.098 176.600 0.029 0.000 1.061 571 K CA 0.574 56.863 56.287 0.003 0.000 0.976 571 K CB -0.333 32.167 32.500 0.001 0.000 0.898 571 K HN 0.136 nan 8.250 nan 0.000 0.492 572 N N 1.492 120.227 118.700 0.059 0.000 2.223 572 N HA -0.150 4.590 4.740 0.000 0.000 0.185 572 N C 1.582 177.205 175.510 0.189 0.000 1.016 572 N CA 0.382 53.516 53.050 0.141 0.000 0.863 572 N CB -0.112 38.520 38.487 0.242 0.000 0.983 572 N HN -0.081 nan 8.380 nan 0.000 0.429 573 L N 1.744 123.033 121.223 0.110 0.000 2.051 573 L HA -0.294 4.046 4.340 0.000 0.000 0.214 573 L C 1.893 178.843 176.870 0.133 0.000 1.076 573 L CA 1.777 56.670 54.840 0.089 0.000 0.758 573 L CB -0.579 41.462 42.059 -0.029 0.000 0.890 573 L HN 0.280 nan 8.230 nan 0.000 0.433 574 Q N -1.191 118.670 119.800 0.101 0.000 2.226 574 Q HA -0.182 4.158 4.340 0.000 0.000 0.204 574 Q C 0.860 176.884 176.000 0.040 0.000 0.975 574 Q CA 1.351 57.207 55.803 0.089 0.000 0.866 574 Q CB -0.262 28.506 28.738 0.050 0.000 0.915 574 Q HN 0.528 nan 8.270 nan 0.000 0.440 575 D N -0.893 119.507 120.400 -0.001 0.000 2.323 575 D HA 0.038 4.678 4.640 0.000 0.000 0.239 575 D C 0.197 176.222 176.300 -0.458 0.000 1.129 575 D CA 0.542 54.418 54.000 -0.205 0.000 0.865 575 D CB 0.092 40.727 40.800 -0.274 0.000 0.913 575 D HN 0.221 nan 8.370 nan 0.000 0.517 576 F N -0.834 119.090 119.950 -0.042 0.000 2.244 576 F HA 0.209 4.736 4.527 0.000 0.000 0.272 576 F C 1.657 177.426 175.800 -0.052 0.000 0.882 576 F CA -0.245 57.721 58.000 -0.057 0.000 1.101 576 F CB 0.347 39.296 39.000 -0.085 0.000 1.097 576 F HN -0.155 nan 8.300 nan 0.000 0.762 577 I N -1.521 119.129 120.570 0.132 0.000 3.974 577 I HA 0.725 4.895 4.170 0.000 0.000 0.334 577 I C 0.736 176.953 176.117 0.166 0.000 1.437 577 I CA 0.296 61.639 61.300 0.072 0.000 1.113 577 I CB -0.002 37.932 38.000 -0.109 0.000 1.063 577 I HN 0.245 nan 8.210 nan 0.000 0.400 578 G N 2.536 111.423 108.800 0.146 0.000 2.512 578 G HA2 -0.173 3.787 3.960 0.000 0.000 0.210 578 G HA3 -0.173 3.787 3.960 0.000 0.000 0.210 578 G C -0.713 174.288 174.900 0.169 0.000 1.295 578 G CA -0.283 44.896 45.100 0.131 0.000 0.934 578 G HN 0.499 nan 8.290 nan 0.000 0.554 579 K N 0.638 121.082 120.400 0.073 0.000 2.148 579 K HA 0.798 5.118 4.320 0.000 0.000 0.239 579 K C 0.747 177.253 176.600 -0.157 0.000 1.018 579 K CA -0.914 55.374 56.287 0.002 0.000 0.923 579 K CB 0.415 32.888 32.500 -0.045 0.000 1.117 579 K HN 0.590 nan 8.250 nan 0.000 0.477 580 R N 0.443 120.789 120.500 -0.257 0.000 2.756 580 R HA 0.068 4.408 4.340 0.000 0.000 0.264 580 R C 0.646 176.648 176.300 -0.496 0.000 1.026 580 R CA 0.288 56.069 56.100 -0.532 0.000 1.121 580 R CB -0.082 30.062 30.300 -0.260 0.000 0.999 580 R HN 0.763 nan 8.270 nan 0.000 0.449 581 I N 0.022 120.204 120.570 -0.646 0.000 4.197 581 I HA 0.123 4.293 4.170 0.000 0.000 0.307 581 I C -0.208 175.510 176.117 -0.664 0.000 1.236 581 I CA 0.356 61.245 61.300 -0.685 0.000 1.321 581 I CB 0.476 37.940 38.000 -0.893 0.000 1.309 581 I HN 0.257 nan 8.210 nan 0.000 0.450 582 F N 0.258 120.166 119.950 -0.070 0.000 2.577 582 F HA 0.546 5.073 4.527 0.000 0.000 0.318 582 F C 0.178 175.993 175.800 0.025 0.000 1.065 582 F CA -0.898 57.090 58.000 -0.019 0.000 0.929 582 F CB 0.884 39.870 39.000 -0.022 0.000 1.237 582 F HN -0.348 nan 8.300 nan 0.000 0.468 583 R N 0.691 121.322 120.500 0.219 0.000 2.410 583 R HA 0.408 4.748 4.340 0.000 0.000 0.288 583 R C -1.580 174.783 176.300 0.106 0.000 1.051 583 R CA -0.395 55.796 56.100 0.153 0.000 1.021 583 R CB 0.614 30.970 30.300 0.092 0.000 1.032 583 R HN 0.631 nan 8.270 nan 0.000 0.481 584 Y N 1.526 121.783 120.300 -0.072 0.000 2.462 584 Y HA 0.554 5.104 4.550 0.000 0.000 0.346 584 Y C 0.377 176.222 175.900 -0.091 0.000 0.976 584 Y CA 0.153 58.133 58.100 -0.201 0.000 1.044 584 Y CB 1.679 39.797 38.460 -0.569 0.000 1.230 584 Y HN 0.828 nan 8.280 nan 0.000 0.455 585 G N 3.725 112.214 108.800 -0.519 0.000 2.693 585 G HA2 -0.121 3.839 3.960 0.000 0.000 0.226 585 G HA3 -0.121 3.839 3.960 0.000 0.000 0.226 585 G C -1.393 173.454 174.900 -0.089 0.000 1.354 585 G CA -0.570 44.367 45.100 -0.272 0.000 0.873 585 G HN 0.665 nan 8.290 nan 0.000 0.562 586 Q N 0.087 119.875 119.800 -0.021 0.000 2.506 586 Q HA 0.693 5.033 4.340 0.000 0.000 0.242 586 Q C 0.778 176.798 176.000 0.033 0.000 1.060 586 Q CA 0.409 56.209 55.803 -0.005 0.000 0.826 586 Q CB 0.658 29.384 28.738 -0.019 0.000 1.169 586 Q HN 1.896 nan 8.270 nan 0.000 0.521 587 A N 1.565 124.412 122.820 0.045 0.000 2.408 587 A HA 0.100 4.420 4.320 0.000 0.000 0.195 587 A C 0.671 178.289 177.584 0.057 0.000 2.215 587 A CA -0.083 51.988 52.037 0.058 0.000 1.224 587 A CB 0.297 19.350 19.000 0.087 0.000 0.924 587 A HN 0.422 nan 8.150 nan 0.000 0.450 588 E N -0.087 120.146 120.200 0.054 0.000 2.606 588 E HA 0.187 4.537 4.350 0.000 0.000 0.224 588 E C -0.561 176.057 176.600 0.030 0.000 0.930 588 E CA 0.669 57.099 56.400 0.050 0.000 1.125 588 E CB 1.238 30.982 29.700 0.073 0.000 1.123 588 E HN 0.461 nan 8.360 nan 0.000 0.522 589 T N 0.246 114.812 114.554 0.020 0.000 2.909 589 T HA 0.528 4.878 4.350 0.000 0.000 0.299 589 T C -0.787 173.916 174.700 0.005 0.000 1.073 589 T CA -0.824 61.282 62.100 0.010 0.000 0.999 589 T CB 2.577 71.448 68.868 0.004 0.000 1.098 589 T HN -0.184 nan 8.240 nan 0.000 0.477 590 E N 0.792 120.994 120.200 0.004 0.000 2.277 590 E HA 0.479 4.829 4.350 0.000 0.000 0.266 590 E C -1.081 175.519 176.600 -0.001 0.000 0.901 590 E CA -0.806 55.595 56.400 0.002 0.000 0.782 590 E CB 1.015 30.718 29.700 0.004 0.000 1.228 590 E HN 0.629 nan 8.360 nan 0.000 0.424 591 D N 1.392 121.791 120.400 -0.002 0.000 2.601 591 D HA 0.025 4.665 4.640 0.000 0.000 0.229 591 D C -0.143 176.156 176.300 -0.003 0.000 1.140 591 D CA 0.980 54.978 54.000 -0.004 0.000 0.862 591 D CB 0.446 41.244 40.800 -0.004 0.000 1.192 591 D HN 0.153 nan 8.370 nan 0.000 0.480 592 Q N 0.083 119.881 119.800 -0.003 0.000 2.873 592 Q HA 0.718 5.058 4.340 0.000 0.000 0.297 592 Q C -1.471 174.527 176.000 -0.002 0.000 1.064 592 Q CA -0.936 54.866 55.803 -0.002 0.000 0.816 592 Q CB 2.066 30.804 28.738 0.000 0.000 1.481 592 Q HN 0.333 nan 8.270 nan 0.000 0.488 593 V N 0.285 120.198 119.914 -0.002 0.000 2.604 593 V HA 0.603 4.723 4.120 0.000 0.000 0.305 593 V C 0.455 176.547 176.094 -0.003 0.000 1.043 593 V CA -0.310 61.988 62.300 -0.005 0.000 0.888 593 V CB 1.252 33.070 31.823 -0.008 0.000 0.995 593 V HN 0.961 nan 8.190 nan 0.000 0.429 594 G N 3.040 111.838 108.800 -0.004 0.000 2.379 594 G HA2 -0.168 3.792 3.960 0.000 0.000 0.297 594 G HA3 -0.168 3.792 3.960 0.000 0.000 0.297 594 G C -0.129 174.778 174.900 0.011 0.000 1.004 594 G CA 0.694 45.795 45.100 0.001 0.000 0.921 594 G HN 1.025 nan 8.290 nan 0.000 0.511 595 V N -0.323 119.595 119.914 0.008 0.000 2.559 595 V HA 0.458 4.578 4.120 0.000 0.000 0.289 595 V C 0.068 176.163 176.094 0.002 0.000 1.036 595 V CA -0.728 61.578 62.300 0.010 0.000 0.887 595 V CB 1.908 33.738 31.823 0.012 0.000 1.022 595 V HN 0.339 nan 8.190 nan 0.000 0.442 596 V N 2.780 122.694 119.914 -0.000 0.000 2.769 596 V HA 0.601 4.721 4.120 0.000 0.000 0.312 596 V C 0.332 176.417 176.094 -0.015 0.000 1.058 596 V CA -0.601 61.695 62.300 -0.007 0.000 0.952 596 V CB 2.308 34.128 31.823 -0.005 0.000 1.019 596 V HN 0.797 nan 8.190 nan 0.000 0.445 597 T N 2.421 116.962 114.554 -0.021 0.000 2.929 597 T HA 0.508 4.858 4.350 0.000 0.000 0.331 597 T C 0.364 175.047 174.700 -0.029 0.000 1.120 597 T CA -0.273 61.809 62.100 -0.029 0.000 0.973 597 T CB 0.735 69.580 68.868 -0.037 0.000 1.036 597 T HN 0.998 nan 8.240 nan 0.000 0.502 598 G N 3.311 112.094 108.800 -0.028 0.000 2.356 598 G HA2 0.532 4.492 3.960 0.000 0.000 0.298 598 G HA3 0.532 4.492 3.960 0.000 0.000 0.298 598 G C -0.348 174.539 174.900 -0.022 0.000 1.145 598 G CA -0.746 44.341 45.100 -0.022 0.000 0.850 598 G HN 0.527 nan 8.290 nan 0.000 0.487 599 L N 1.508 122.724 121.223 -0.012 0.000 2.319 599 L HA 0.578 4.918 4.340 0.000 0.000 0.280 599 L C 0.708 177.588 176.870 0.015 0.000 1.099 599 L CA -0.592 54.246 54.840 -0.004 0.000 0.828 599 L CB 0.108 42.172 42.059 0.007 0.000 1.150 599 L HN 0.620 nan 8.230 nan 0.000 0.442 600 A N 3.671 126.500 122.820 0.015 0.000 2.423 600 A HA 0.575 4.895 4.320 0.000 0.000 0.304 600 A C -1.413 176.216 177.584 0.076 0.000 1.104 600 A CA -0.519 51.544 52.037 0.044 0.000 0.757 600 A CB 1.154 20.164 19.000 0.018 0.000 1.313 600 A HN 0.554 nan 8.150 nan 0.000 0.423 601 Y N 1.725 122.012 120.300 -0.022 0.000 2.700 601 Y HA 0.425 4.976 4.550 0.001 0.000 0.333 601 Y C 0.253 176.140 175.900 -0.020 0.000 1.036 601 Y CA -0.015 58.073 58.100 -0.020 0.000 1.287 601 Y CB 0.318 38.767 38.460 -0.018 0.000 1.132 601 Y HN 0.615 nan 8.280 nan 0.000 0.510 602 T N 2.590 117.064 114.554 -0.133 0.000 2.913 602 T HA 0.002 4.353 4.350 0.000 0.000 0.297 602 T C 1.563 176.160 174.700 -0.171 0.000 1.029 602 T CA 0.414 62.458 62.100 -0.093 0.000 1.104 602 T CB 1.228 70.038 68.868 -0.096 0.000 0.964 602 T HN 0.759 nan 8.240 nan 0.000 0.532 603 T N -0.569 113.960 114.554 -0.041 0.000 2.932 603 T HA -0.157 4.193 4.350 0.000 0.000 0.269 603 T C 1.212 175.853 174.700 -0.097 0.000 1.131 603 T CA 1.573 63.653 62.100 -0.032 0.000 1.107 603 T CB -0.566 68.308 68.868 0.010 0.000 0.824 603 T HN 0.585 nan 8.240 nan 0.000 0.552 604 V N -2.828 117.009 119.914 -0.129 0.000 2.988 604 V HA 0.789 4.909 4.120 0.000 0.000 0.356 604 V C 0.612 176.606 176.094 -0.166 0.000 1.380 604 V CA -0.036 62.193 62.300 -0.120 0.000 1.184 604 V CB -0.500 31.280 31.823 -0.071 0.000 1.204 604 V HN 0.942 nan 8.190 nan 0.000 0.530 605 G N -0.330 108.303 108.800 -0.278 0.000 2.331 605 G HA2 0.343 4.303 3.960 0.000 0.000 0.479 605 G HA3 0.343 4.303 3.960 0.000 0.000 0.479 605 G C 0.064 174.788 174.900 -0.294 0.000 1.262 605 G CA -0.207 44.718 45.100 -0.292 0.000 1.029 605 G HN 1.384 nan 8.290 nan 0.000 0.487 606 G N -0.272 108.409 108.800 -0.197 0.000 2.398 606 G HA2 0.502 4.462 3.960 0.000 0.000 0.246 606 G HA3 0.502 4.462 3.960 0.000 0.000 0.246 606 G C -0.572 174.264 174.900 -0.105 0.000 1.289 606 G CA 1.093 46.120 45.100 -0.121 0.000 0.869 606 G HN 0.731 nan 8.290 nan 0.000 0.543 607 D N -0.855 119.496 120.400 -0.081 0.000 2.592 607 D HA 0.608 5.248 4.640 0.000 0.000 0.263 607 D C -0.338 175.925 176.300 -0.062 0.000 1.132 607 D CA -0.455 53.498 54.000 -0.079 0.000 0.996 607 D CB 1.857 42.612 40.800 -0.075 0.000 1.442 607 D HN 0.301 nan 8.370 nan 0.000 0.486 608 T N 0.485 114.999 114.554 -0.067 0.000 3.327 608 T HA 0.459 4.809 4.350 0.000 0.000 0.373 608 T C 0.065 174.734 174.700 -0.053 0.000 1.589 608 T CA -0.617 61.446 62.100 -0.061 0.000 1.497 608 T CB -0.477 68.344 68.868 -0.077 0.000 1.032 608 T HN 0.165 nan 8.240 nan 0.000 0.640 609 L N 1.558 122.752 121.223 -0.048 0.000 2.326 609 L HA 0.529 4.869 4.340 0.000 0.000 0.278 609 L C 0.306 177.143 176.870 -0.055 0.000 1.092 609 L CA -0.650 54.157 54.840 -0.054 0.000 0.810 609 L CB 0.846 42.868 42.059 -0.061 0.000 1.153 609 L HN 0.407 nan 8.230 nan 0.000 0.439 610 S N 3.950 119.617 115.700 -0.055 0.000 2.429 610 S HA 0.556 5.026 4.470 0.000 0.000 0.302 610 S C -0.058 174.507 174.600 -0.059 0.000 1.115 610 S CA -0.575 57.600 58.200 -0.042 0.000 1.095 610 S CB 1.051 64.240 63.200 -0.019 0.000 0.987 610 S HN 0.342 nan 8.310 nan 0.000 0.474 611 I N 3.068 123.611 120.570 -0.045 0.000 2.472 611 I HA 0.302 4.472 4.170 0.000 0.000 0.290 611 I C 0.436 176.562 176.117 0.015 0.000 1.016 611 I CA -0.209 61.069 61.300 -0.036 0.000 1.348 611 I CB 0.844 38.831 38.000 -0.023 0.000 1.417 611 I HN 0.576 nan 8.210 nan 0.000 0.521 612 E N 4.671 124.907 120.200 0.060 0.000 2.312 612 E HA 0.695 5.045 4.350 0.000 0.000 0.267 612 E C -1.496 175.159 176.600 0.093 0.000 0.894 612 E CA -0.864 55.585 56.400 0.081 0.000 0.773 612 E CB 3.043 32.809 29.700 0.110 0.000 1.241 612 E HN 0.239 nan 8.360 nan 0.000 0.432 613 V N 0.781 120.737 119.914 0.070 0.000 2.686 613 V HA 0.505 4.625 4.120 0.000 0.000 0.306 613 V C -0.624 175.505 176.094 0.059 0.000 1.065 613 V CA -0.789 61.558 62.300 0.077 0.000 0.894 613 V CB 1.820 33.681 31.823 0.063 0.000 1.004 613 V HN 0.611 nan 8.190 nan 0.000 0.424 614 S N 3.795 119.551 115.700 0.092 0.000 2.513 614 S HA 0.816 5.286 4.470 0.000 0.000 0.299 614 S C -1.080 173.559 174.600 0.066 0.000 1.087 614 S CA -0.571 57.668 58.200 0.066 0.000 1.012 614 S CB 1.265 64.502 63.200 0.061 0.000 1.044 614 S HN 0.631 nan 8.310 nan 0.000 0.485 615 L N 3.465 124.668 121.223 -0.033 0.000 2.294 615 L HA 0.559 4.899 4.340 0.000 0.000 0.283 615 L C -0.158 176.649 176.870 -0.105 0.000 1.015 615 L CA -0.425 54.319 54.840 -0.159 0.000 0.831 615 L CB 1.641 43.457 42.059 -0.406 0.000 1.217 615 L HN 0.592 nan 8.230 nan 0.000 0.420 616 S N 4.779 120.480 115.700 0.000 0.000 2.521 616 S HA 0.640 5.110 4.470 0.000 0.000 0.295 616 S C -2.574 172.103 174.600 0.129 0.000 1.098 616 S CA -1.511 56.732 58.200 0.072 0.000 0.999 616 S CB 1.879 65.173 63.200 0.156 0.000 1.034 616 S HN 0.193 nan 8.310 nan 0.000 0.483 617 P HA 0.353 nan 4.420 nan 0.000 0.269 617 P C 0.639 178.047 177.300 0.179 0.000 1.200 617 P CA 0.824 64.074 63.100 0.250 0.000 0.779 617 P CB 0.287 32.090 31.700 0.172 0.000 0.841 618 G N 0.321 109.219 108.800 0.163 0.000 2.384 618 G HA2 0.046 4.006 3.960 0.000 0.000 0.113 618 G HA3 0.046 4.006 3.960 0.000 0.000 0.113 618 G C -1.317 173.637 174.900 0.089 0.000 1.224 618 G CA -0.479 44.685 45.100 0.106 0.000 1.126 618 G HN 0.581 nan 8.290 nan 0.000 0.461 619 K N -0.166 120.280 120.400 0.076 0.000 2.295 619 K HA 0.559 4.879 4.320 0.000 0.000 0.239 619 K C 1.451 178.105 176.600 0.090 0.000 0.991 619 K CA -0.105 56.220 56.287 0.063 0.000 0.845 619 K CB 1.706 34.229 32.500 0.039 0.000 1.197 619 K HN 0.660 nan 8.250 nan 0.000 0.441 620 G N 1.155 110.018 108.800 0.104 0.000 2.516 620 G HA2 -0.223 3.737 3.960 0.000 0.000 0.221 620 G HA3 -0.223 3.737 3.960 0.000 0.000 0.221 620 G C 0.552 175.491 174.900 0.065 0.000 1.107 620 G CA 0.773 45.977 45.100 0.174 0.000 0.747 620 G HN 0.450 nan 8.290 nan 0.000 0.567 621 K N 0.446 120.844 120.400 -0.003 0.000 2.518 621 K HA 0.210 4.530 4.320 0.000 0.000 0.276 621 K C 0.070 176.585 176.600 -0.141 0.000 0.974 621 K CA 0.079 56.315 56.287 -0.085 0.000 0.986 621 K CB 0.152 32.621 32.500 -0.051 0.000 0.901 621 K HN 0.274 nan 8.250 nan 0.000 0.497 622 L N 3.531 124.620 121.223 -0.223 0.000 2.406 622 L HA 0.610 4.950 4.340 0.000 0.000 0.272 622 L C -1.000 175.768 176.870 -0.169 0.000 0.980 622 L CA -0.924 53.776 54.840 -0.232 0.000 0.831 622 L CB 1.456 43.316 42.059 -0.331 0.000 1.253 622 L HN 0.677 nan 8.230 nan 0.000 0.406 623 I N 5.152 125.624 120.570 -0.163 0.000 2.404 623 I HA 0.531 4.701 4.170 0.000 0.000 0.293 623 I C -1.157 174.978 176.117 0.029 0.000 0.992 623 I CA -0.924 60.347 61.300 -0.048 0.000 1.149 623 I CB 1.717 39.724 38.000 0.013 0.000 1.315 623 I HN 0.725 nan 8.210 nan 0.000 0.446 624 L N 5.413 126.665 121.223 0.047 0.000 2.333 624 L HA 0.785 5.125 4.340 0.000 0.000 0.269 624 L C 0.228 177.157 176.870 0.099 0.000 1.010 624 L CA -0.440 54.452 54.840 0.086 0.000 0.818 624 L CB 1.076 43.170 42.059 0.059 0.000 1.306 624 L HN 0.627 nan 8.230 nan 0.000 0.430 625 T N -2.096 112.539 114.554 0.134 0.000 2.870 625 T HA 0.914 5.264 4.350 0.000 0.000 0.277 625 T C 0.505 175.331 174.700 0.210 0.000 1.000 625 T CA -0.044 62.132 62.100 0.126 0.000 0.982 625 T CB 1.132 70.027 68.868 0.045 0.000 1.249 625 T HN 1.924 nan 8.240 nan 0.000 0.589 626 G N 1.269 110.190 108.800 0.201 0.000 2.512 626 G HA2 -0.185 3.775 3.960 0.000 0.000 0.254 626 G HA3 -0.185 3.775 3.960 0.000 0.000 0.254 626 G C -0.345 174.618 174.900 0.104 0.000 1.199 626 G CA 0.074 45.304 45.100 0.217 0.000 0.941 626 G HN 1.384 nan 8.290 nan 0.000 0.569 627 K N 1.383 121.825 120.400 0.070 0.000 2.491 627 K HA 0.363 4.683 4.320 0.000 0.000 0.279 627 K C 1.656 178.281 176.600 0.040 0.000 1.026 627 K CA 0.274 56.587 56.287 0.043 0.000 1.070 627 K CB 0.512 33.027 32.500 0.025 0.000 0.887 627 K HN 0.533 nan 8.250 nan 0.000 0.481 628 L N 2.742 123.985 121.223 0.033 0.000 2.089 628 L HA -0.180 4.160 4.340 0.000 0.000 0.213 628 L C 1.220 178.103 176.870 0.022 0.000 1.079 628 L CA 1.221 56.077 54.840 0.028 0.000 0.758 628 L CB -1.525 40.546 42.059 0.021 0.000 0.891 628 L HN 1.173 nan 8.230 nan 0.000 0.433 629 G N 0.930 109.741 108.800 0.019 0.000 2.344 629 G HA2 -0.299 3.661 3.960 0.000 0.000 0.204 629 G HA3 -0.299 3.661 3.960 0.000 0.000 0.204 629 G C 0.203 175.109 174.900 0.010 0.000 0.347 629 G CA 0.715 45.823 45.100 0.014 0.000 1.000 629 G HN 0.381 nan 8.290 nan 0.000 0.408 630 D N 0.777 121.182 120.400 0.007 0.000 2.305 630 D HA 0.039 4.679 4.640 0.000 0.000 0.206 630 D C 2.511 178.813 176.300 0.003 0.000 0.974 630 D CA 0.835 54.837 54.000 0.004 0.000 0.871 630 D CB 0.287 41.089 40.800 0.003 0.000 0.947 630 D HN 0.313 nan 8.370 nan 0.000 0.516 631 V N 0.632 120.548 119.914 0.004 0.000 2.515 631 V HA -0.183 3.937 4.120 0.000 0.000 0.250 631 V C 2.364 178.460 176.094 0.004 0.000 1.058 631 V CA 1.004 63.306 62.300 0.003 0.000 1.064 631 V CB -0.310 31.514 31.823 0.002 0.000 0.675 631 V HN 0.302 nan 8.190 nan 0.000 0.461 632 M N -0.492 119.112 119.600 0.006 0.000 2.123 632 M HA -0.085 4.395 4.480 0.000 0.000 0.263 632 M C 2.332 178.638 176.300 0.009 0.000 1.069 632 M CA 1.554 56.859 55.300 0.009 0.000 1.133 632 M CB -1.135 31.471 32.600 0.011 0.000 1.356 632 M HN 0.241 nan 8.290 nan 0.000 0.415 633 R N 0.601 121.103 120.500 0.003 0.000 2.112 633 R HA -0.253 4.087 4.340 0.000 0.000 0.242 633 R C 2.069 178.369 176.300 -0.001 0.000 1.137 633 R CA 2.399 58.495 56.100 -0.007 0.000 0.944 633 R CB -0.335 29.956 30.300 -0.016 0.000 0.857 633 R HN 0.454 nan 8.270 nan 0.000 0.435 634 E N -0.368 119.835 120.200 0.004 0.000 2.048 634 E HA -0.259 4.091 4.350 0.000 0.000 0.202 634 E C 1.927 178.542 176.600 0.026 0.000 1.021 634 E CA 2.112 58.519 56.400 0.012 0.000 0.825 634 E CB -0.239 29.467 29.700 0.010 0.000 0.756 634 E HN 0.263 nan 8.360 nan 0.000 0.454 635 S N -0.569 115.145 115.700 0.023 0.000 2.348 635 S HA -0.181 4.289 4.470 0.000 0.000 0.221 635 S C 1.878 176.510 174.600 0.053 0.000 1.033 635 S CA 1.159 59.378 58.200 0.032 0.000 1.010 635 S CB -0.506 62.706 63.200 0.020 0.000 0.891 635 S HN 0.514 nan 8.310 nan 0.000 0.442 636 A N 1.040 123.888 122.820 0.046 0.000 1.852 636 A HA -0.231 4.089 4.320 0.000 0.000 0.217 636 A C 1.813 179.463 177.584 0.109 0.000 1.215 636 A CA 1.882 53.959 52.037 0.066 0.000 0.641 636 A CB -1.012 18.006 19.000 0.030 0.000 0.838 636 A HN 0.634 nan 8.150 nan 0.000 0.450 637 Q N -0.484 119.347 119.800 0.052 0.000 2.294 637 Q HA 0.245 4.585 4.340 0.000 0.000 0.207 637 Q C 0.826 176.928 176.000 0.170 0.000 0.887 637 Q CA 0.357 56.204 55.803 0.074 0.000 0.987 637 Q CB -0.331 28.383 28.738 -0.041 0.000 1.101 637 Q HN 0.636 nan 8.270 nan 0.000 0.447 638 A N -1.096 121.836 122.820 0.186 0.000 1.853 638 A HA 0.338 4.658 4.320 0.000 0.000 0.204 638 A C 1.836 179.540 177.584 0.200 0.000 1.724 638 A CA 0.553 52.690 52.037 0.167 0.000 1.105 638 A CB -0.629 18.432 19.000 0.101 0.000 1.101 638 A HN 0.424 nan 8.150 nan 0.000 0.495 639 A N -0.545 122.377 122.820 0.170 0.000 1.978 639 A HA -0.043 4.277 4.320 0.000 0.000 0.220 639 A C 1.944 179.685 177.584 0.262 0.000 1.170 639 A CA 1.785 53.919 52.037 0.162 0.000 0.636 639 A CB -0.774 18.290 19.000 0.107 0.000 0.810 639 A HN 0.754 nan 8.150 nan 0.000 0.448 640 F N 1.357 121.388 119.950 0.135 0.000 2.051 640 F HA -0.146 4.381 4.527 -0.000 0.000 0.296 640 F C 2.398 178.291 175.800 0.154 0.000 1.122 640 F CA 2.126 60.221 58.000 0.159 0.000 1.201 640 F CB -0.392 38.675 39.000 0.113 0.000 0.978 640 F HN 0.167 nan 8.300 nan 0.000 0.472 641 S N -0.739 115.151 115.700 0.318 0.000 2.584 641 S HA -0.164 4.306 4.470 0.000 0.000 0.240 641 S C 1.312 175.964 174.600 0.086 0.000 0.975 641 S CA 0.793 59.083 58.200 0.148 0.000 0.949 641 S CB -0.812 62.492 63.200 0.173 0.000 0.761 641 S HN 0.634 nan 8.310 nan 0.000 0.536 642 Y N 1.870 122.181 120.300 0.018 0.000 2.190 642 Y HA -0.026 4.524 4.550 -0.001 0.000 0.290 642 Y C 2.142 178.038 175.900 -0.007 0.000 1.115 642 Y CA 0.918 59.027 58.100 0.014 0.000 1.107 642 Y CB -0.649 37.833 38.460 0.038 0.000 1.033 642 Y HN 0.011 nan 8.280 nan 0.000 0.502 643 V N 2.006 122.024 119.914 0.173 0.000 2.439 643 V HA -0.375 3.745 4.120 0.000 0.000 0.253 643 V C 2.547 178.621 176.094 -0.032 0.000 1.074 643 V CA 2.033 64.374 62.300 0.069 0.000 1.076 643 V CB -0.815 31.099 31.823 0.152 0.000 0.664 643 V HN 0.389 nan 8.190 nan 0.000 0.461 644 R N 0.848 121.253 120.500 -0.158 0.000 2.134 644 R HA -0.188 4.152 4.340 0.000 0.000 0.248 644 R C 2.434 178.630 176.300 -0.174 0.000 1.143 644 R CA 2.198 58.144 56.100 -0.257 0.000 0.957 644 R CB -0.898 29.203 30.300 -0.332 0.000 0.867 644 R HN 0.794 nan 8.270 nan 0.000 0.441 645 S N 0.709 116.280 115.700 -0.214 0.000 2.272 645 S HA -0.025 4.445 4.470 0.000 0.000 0.161 645 S C 0.321 174.794 174.600 -0.213 0.000 1.293 645 S CA -0.117 57.955 58.200 -0.214 0.000 2.027 645 S CB -0.396 62.649 63.200 -0.258 0.000 0.565 645 S HN -0.007 nan 8.310 nan 0.000 0.364 646 K N 2.582 122.784 120.400 -0.329 0.000 2.075 646 K HA 0.092 4.412 4.320 0.000 0.000 0.246 646 K C 0.575 177.103 176.600 -0.119 0.000 1.293 646 K CA 0.574 56.721 56.287 -0.233 0.000 1.342 646 K CB -1.035 31.279 32.500 -0.309 0.000 0.820 646 K HN 0.497 nan 8.250 nan 0.000 0.436 647 T N 1.012 115.539 114.554 -0.046 0.000 3.587 647 T HA -0.076 4.274 4.350 0.000 0.000 0.221 647 T C 1.480 176.195 174.700 0.025 0.000 0.921 647 T CA 0.328 62.441 62.100 0.022 0.000 1.426 647 T CB -0.103 68.805 68.868 0.066 0.000 1.340 647 T HN 0.699 nan 8.240 nan 0.000 0.423 648 E N 1.906 122.119 120.200 0.021 0.000 2.187 648 E HA -0.265 4.085 4.350 0.000 0.000 0.199 648 E C 1.839 178.445 176.600 0.011 0.000 1.004 648 E CA 1.619 58.029 56.400 0.016 0.000 0.813 648 E CB -0.347 29.359 29.700 0.009 0.000 0.736 648 E HN 0.583 nan 8.360 nan 0.000 0.468 649 E N -0.050 120.153 120.200 0.004 0.000 2.396 649 E HA -0.155 4.195 4.350 0.000 0.000 0.200 649 E C 1.385 177.996 176.600 0.018 0.000 1.023 649 E CA 0.594 56.998 56.400 0.006 0.000 0.857 649 E CB 0.144 29.841 29.700 -0.004 0.000 0.775 649 E HN 0.324 nan 8.360 nan 0.000 0.525 650 L N -1.174 120.063 121.223 0.023 0.000 2.878 650 L HA 0.338 4.678 4.340 0.000 0.000 0.253 650 L C 0.367 177.249 176.870 0.020 0.000 1.135 650 L CA 1.090 55.950 54.840 0.033 0.000 0.943 650 L CB 1.193 43.284 42.059 0.053 0.000 1.307 650 L HN 0.061 nan 8.230 nan 0.000 0.545 651 G N 1.843 110.652 108.800 0.015 0.000 2.799 651 G HA2 -0.095 3.865 3.960 0.000 0.000 0.271 651 G HA3 -0.095 3.865 3.960 0.000 0.000 0.271 651 G C -0.661 174.241 174.900 0.003 0.000 1.067 651 G CA 0.293 45.399 45.100 0.010 0.000 1.251 651 G HN 0.571 nan 8.290 nan 0.000 0.560 652 I N -0.556 120.021 120.570 0.011 0.000 2.744 652 I HA 0.392 4.562 4.170 0.000 0.000 0.285 652 I C -0.057 176.092 176.117 0.054 0.000 1.530 652 I CA -1.312 59.991 61.300 0.004 0.000 1.064 652 I CB 1.265 39.228 38.000 -0.061 0.000 1.429 652 I HN 0.553 nan 8.210 nan 0.000 0.425 653 E N 7.994 128.230 120.200 0.060 0.000 2.406 653 E HA 0.111 4.461 4.350 0.000 0.000 0.247 653 E C -2.021 174.657 176.600 0.131 0.000 1.160 653 E CA -1.192 55.248 56.400 0.066 0.000 0.950 653 E CB -0.071 29.645 29.700 0.028 0.000 0.993 653 E HN 0.428 nan 8.360 nan 0.000 0.472 654 P HA -0.189 nan 4.420 nan 0.000 0.222 654 P C 0.399 177.687 177.300 -0.020 0.000 1.142 654 P CA 1.182 64.341 63.100 0.097 0.000 0.788 654 P CB 0.116 31.837 31.700 0.035 0.000 0.767 655 D N -1.600 118.767 120.400 -0.055 0.000 2.663 655 D HA -0.012 4.628 4.640 0.000 0.000 0.243 655 D C 0.928 177.106 176.300 -0.203 0.000 1.218 655 D CA -0.212 53.685 54.000 -0.172 0.000 0.846 655 D CB -0.887 39.833 40.800 -0.134 0.000 1.014 655 D HN 0.172 nan 8.370 nan 0.000 0.476 656 F N -0.479 119.321 119.950 -0.249 0.000 2.298 656 F HA 0.098 4.625 4.527 -0.000 0.000 0.282 656 F C 2.019 177.767 175.800 -0.087 0.000 1.045 656 F CA 0.428 58.305 58.000 -0.205 0.000 1.280 656 F CB -0.745 38.252 39.000 -0.004 0.000 1.114 656 F HN 0.057 nan 8.300 nan 0.000 0.546 657 H N -0.455 117.856 119.070 -1.265 0.000 2.557 657 H HA 0.019 4.575 4.556 0.000 0.000 0.287 657 H C 1.559 176.758 175.328 -0.216 0.000 1.043 657 H CA 1.571 57.177 56.048 -0.736 0.000 1.226 657 H CB -0.763 28.479 29.762 -0.867 0.000 1.361 657 H HN 0.643 nan 8.280 nan 0.000 0.592 658 E N 0.070 119.950 120.200 -0.533 0.000 2.251 658 E HA 0.050 4.400 4.350 0.000 0.000 0.194 658 E C 0.419 176.938 176.600 -0.136 0.000 0.964 658 E CA 0.145 56.358 56.400 -0.313 0.000 0.868 658 E CB 0.495 29.952 29.700 -0.406 0.000 0.828 658 E HN 0.172 nan 8.360 nan 0.000 0.481 659 K N 0.026 120.343 120.400 -0.139 0.000 3.165 659 K HA 0.244 4.564 4.320 0.000 0.000 0.206 659 K C -1.381 175.212 176.600 -0.011 0.000 1.123 659 K CA -0.075 56.160 56.287 -0.087 0.000 0.978 659 K CB 0.762 33.169 32.500 -0.154 0.000 0.749 659 K HN 0.114 nan 8.250 nan 0.000 0.454 660 Y N -0.870 119.498 120.300 0.113 0.000 2.655 660 Y HA 0.312 4.862 4.550 -0.000 0.000 0.336 660 Y C -0.816 175.168 175.900 0.140 0.000 1.154 660 Y CA -1.209 56.984 58.100 0.154 0.000 1.055 660 Y CB 2.614 41.231 38.460 0.261 0.000 1.295 660 Y HN -0.086 nan 8.280 nan 0.000 0.465 661 D N 2.431 122.988 120.400 0.263 0.000 2.686 661 D HA 0.294 4.934 4.640 0.000 0.000 0.249 661 D C -1.081 175.203 176.300 -0.028 0.000 1.260 661 D CA -0.280 53.774 54.000 0.089 0.000 0.910 661 D CB 1.616 42.433 40.800 0.028 0.000 1.323 661 D HN 0.529 nan 8.370 nan 0.000 0.561 662 I N 0.721 121.274 120.570 -0.029 0.000 2.331 662 I HA 0.461 4.631 4.170 0.000 0.000 0.292 662 I C -0.775 175.227 176.117 -0.192 0.000 0.998 662 I CA -0.392 60.896 61.300 -0.021 0.000 1.267 662 I CB 1.233 39.341 38.000 0.181 0.000 1.386 662 I HN 0.163 nan 8.210 nan 0.000 0.476 663 H N 7.517 126.615 119.070 0.048 0.000 2.476 663 H HA 0.586 5.142 4.556 0.000 0.000 0.328 663 H C -0.544 174.815 175.328 0.051 0.000 1.073 663 H CA -0.435 55.635 56.048 0.036 0.000 1.229 663 H CB 2.244 32.016 29.762 0.017 0.000 1.432 663 H HN 0.596 nan 8.280 nan 0.000 0.477 664 I N 2.526 123.197 120.570 0.167 0.000 2.569 664 I HA 0.125 4.295 4.170 0.000 0.000 0.296 664 I C -0.295 175.937 176.117 0.190 0.000 1.028 664 I CA -0.729 60.658 61.300 0.145 0.000 1.082 664 I CB 2.050 40.110 38.000 0.099 0.000 1.264 664 I HN 0.498 nan 8.210 nan 0.000 0.429 665 H N 5.102 124.200 119.070 0.048 0.000 2.727 665 H HA 0.565 5.121 4.556 0.000 0.000 0.330 665 H C -1.605 173.738 175.328 0.025 0.000 0.986 665 H CA -0.753 55.315 56.048 0.033 0.000 1.251 665 H CB 1.419 31.196 29.762 0.025 0.000 1.493 665 H HN 0.222 nan 8.280 nan 0.000 0.515 666 V N 7.065 126.885 119.914 -0.157 0.000 2.284 666 V HA 0.336 4.456 4.120 0.000 0.000 0.274 666 V C -2.311 173.611 176.094 -0.286 0.000 1.023 666 V CA -1.888 60.285 62.300 -0.211 0.000 0.808 666 V CB 0.570 32.355 31.823 -0.063 0.000 1.035 666 V HN 0.719 nan 8.190 nan 0.000 0.445 667 P HA 0.090 nan 4.420 nan 0.000 0.266 667 P C 0.238 177.476 177.300 -0.103 0.000 1.195 667 P CA 0.206 63.144 63.100 -0.271 0.000 0.768 667 P CB 0.546 32.117 31.700 -0.215 0.000 0.838 668 E N 1.140 121.318 120.200 -0.036 0.000 2.404 668 E HA 0.329 4.679 4.350 0.000 0.000 0.261 668 E C 1.038 177.631 176.600 -0.012 0.000 1.074 668 E CA 0.331 56.725 56.400 -0.010 0.000 0.917 668 E CB 0.241 29.949 29.700 0.013 0.000 0.965 668 E HN 0.714 nan 8.360 nan 0.000 0.433 669 G N 1.052 109.850 108.800 -0.002 0.000 3.967 669 G HA2 -0.091 3.869 3.960 0.000 0.000 0.210 669 G HA3 -0.091 3.869 3.960 0.000 0.000 0.210 669 G C 0.143 175.053 174.900 0.016 0.000 1.127 669 G CA -0.221 44.879 45.100 0.000 0.000 0.887 669 G HN 0.756 nan 8.290 nan 0.000 0.367 670 A N 0.997 123.828 122.820 0.018 0.000 2.565 670 A HA 0.528 4.848 4.320 0.000 0.000 0.237 670 A C 0.617 178.234 177.584 0.055 0.000 1.053 670 A CA 0.648 52.712 52.037 0.045 0.000 0.755 670 A CB 0.621 19.637 19.000 0.027 0.000 0.980 670 A HN 1.238 nan 8.150 nan 0.000 0.506 671 V N 5.609 125.580 119.914 0.095 0.000 2.686 671 V HA 0.212 4.332 4.120 0.000 0.000 0.295 671 V C -1.026 175.087 176.094 0.033 0.000 1.057 671 V CA -1.314 61.033 62.300 0.078 0.000 1.012 671 V CB 1.232 33.137 31.823 0.137 0.000 1.006 671 V HN 0.934 nan 8.190 nan 0.000 0.477 672 P HA -0.345 nan 4.420 nan 0.000 0.216 672 P C 1.601 178.892 177.300 -0.015 0.000 1.062 672 P CA 2.253 65.353 63.100 0.001 0.000 0.995 672 P CB -0.167 31.534 31.700 0.000 0.000 0.762 673 K N -0.067 120.313 120.400 -0.034 0.000 2.189 673 K HA -0.252 4.068 4.320 0.000 0.000 0.207 673 K C 1.397 177.961 176.600 -0.059 0.000 1.046 673 K CA 2.477 58.729 56.287 -0.058 0.000 0.928 673 K CB -0.664 31.778 32.500 -0.096 0.000 0.720 673 K HN 0.057 nan 8.250 nan 0.000 0.458 674 D N -0.739 119.632 120.400 -0.049 0.000 2.349 674 D HA 0.123 4.763 4.640 0.000 0.000 0.214 674 D C 1.528 177.822 176.300 -0.010 0.000 1.063 674 D CA 0.588 54.567 54.000 -0.035 0.000 0.847 674 D CB 0.265 41.056 40.800 -0.014 0.000 0.933 674 D HN 0.377 nan 8.370 nan 0.000 0.513 675 G N 1.590 110.385 108.800 -0.008 0.000 2.553 675 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 675 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 675 G C -0.640 174.257 174.900 -0.005 0.000 1.195 675 G CA 0.660 45.758 45.100 -0.003 0.000 0.779 675 G HN 0.327 nan 8.290 nan 0.000 0.577 676 P HA 0.142 nan 4.420 nan 0.000 0.239 676 P C 1.305 178.597 177.300 -0.012 0.000 1.184 676 P CA 1.075 64.170 63.100 -0.009 0.000 0.760 676 P CB 0.002 31.694 31.700 -0.013 0.000 0.884 677 A N -0.297 122.515 122.820 -0.012 0.000 2.238 677 A HA 0.324 4.644 4.320 0.000 0.000 0.208 677 A C 1.834 179.413 177.584 -0.009 0.000 1.177 677 A CA 0.859 52.889 52.037 -0.012 0.000 0.804 677 A CB -0.762 18.233 19.000 -0.009 0.000 0.823 677 A HN 0.196 nan 8.150 nan 0.000 0.482 678 A N -1.028 121.788 122.820 -0.007 0.000 2.387 678 A HA 0.475 4.795 4.320 0.000 0.000 0.234 678 A C 1.872 179.452 177.584 -0.006 0.000 1.253 678 A CA 0.797 52.829 52.037 -0.007 0.000 0.894 678 A CB -0.581 18.414 19.000 -0.008 0.000 0.963 678 A HN 0.514 nan 8.150 nan 0.000 0.508 679 G N 1.929 110.723 108.800 -0.008 0.000 2.587 679 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 679 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 679 G C 1.537 176.425 174.900 -0.019 0.000 1.240 679 G CA 1.495 46.590 45.100 -0.009 0.000 0.794 679 G HN 0.911 nan 8.290 nan 0.000 0.580 680 I N -0.790 119.759 120.570 -0.034 0.000 2.399 680 I HA -0.132 4.038 4.170 0.000 0.000 0.254 680 I C 2.409 178.510 176.117 -0.027 0.000 1.146 680 I CA 1.995 63.267 61.300 -0.045 0.000 1.412 680 I CB -0.883 37.090 38.000 -0.046 0.000 1.076 680 I HN 0.083 nan 8.210 nan 0.000 0.432 681 T N 3.034 117.579 114.554 -0.016 0.000 2.590 681 T HA -0.129 4.221 4.350 0.000 0.000 0.257 681 T C 1.944 176.645 174.700 0.001 0.000 1.080 681 T CA 2.235 64.329 62.100 -0.009 0.000 1.180 681 T CB -0.518 68.344 68.868 -0.010 0.000 0.865 681 T HN 0.501 nan 8.240 nan 0.000 0.403 682 M N 1.931 121.537 119.600 0.010 0.000 2.116 682 M HA -0.153 4.327 4.480 0.000 0.000 0.255 682 M C 2.610 178.934 176.300 0.040 0.000 1.075 682 M CA 2.060 57.378 55.300 0.030 0.000 1.087 682 M CB -1.144 31.481 32.600 0.042 0.000 1.340 682 M HN 0.255 nan 8.290 nan 0.000 0.402 683 A N 1.072 123.907 122.820 0.025 0.000 1.842 683 A HA -0.189 4.131 4.320 0.000 0.000 0.217 683 A C 2.308 179.900 177.584 0.012 0.000 1.206 683 A CA 2.838 54.886 52.037 0.018 0.000 0.630 683 A CB -1.577 17.396 19.000 -0.046 0.000 0.839 683 A HN 0.583 nan 8.150 nan 0.000 0.447 684 T N 0.386 114.936 114.554 -0.006 0.000 2.635 684 T HA -0.294 4.056 4.350 0.000 0.000 0.265 684 T C 2.102 176.806 174.700 0.007 0.000 1.058 684 T CA 2.769 64.868 62.100 -0.001 0.000 1.162 684 T CB -0.832 68.034 68.868 -0.004 0.000 0.859 684 T HN 0.746 nan 8.240 nan 0.000 0.449 685 A N 1.623 124.451 122.820 0.012 0.000 1.835 685 A HA -0.017 4.303 4.320 0.000 0.000 0.215 685 A C 2.309 179.903 177.584 0.017 0.000 1.199 685 A CA 1.566 53.612 52.037 0.016 0.000 0.615 685 A CB -1.150 17.864 19.000 0.024 0.000 0.838 685 A HN 0.469 nan 8.150 nan 0.000 0.444 686 L N -0.039 121.206 121.223 0.037 0.000 2.123 686 L HA -0.232 4.108 4.340 0.000 0.000 0.217 686 L C 2.429 179.292 176.870 -0.012 0.000 1.081 686 L CA 2.361 57.225 54.840 0.041 0.000 0.772 686 L CB -0.546 41.573 42.059 0.100 0.000 0.890 686 L HN 0.294 nan 8.230 nan 0.000 0.437 687 V N -0.986 118.926 119.914 -0.004 0.000 2.255 687 V HA -0.225 3.895 4.120 0.000 0.000 0.243 687 V C 2.685 178.760 176.094 -0.033 0.000 1.038 687 V CA 1.731 64.017 62.300 -0.025 0.000 1.008 687 V CB -0.258 31.571 31.823 0.011 0.000 0.645 687 V HN 0.571 nan 8.190 nan 0.000 0.449 688 S N -0.091 115.601 115.700 -0.014 0.000 2.462 688 S HA -0.206 4.264 4.470 0.000 0.000 0.243 688 S C 1.852 176.437 174.600 -0.024 0.000 1.003 688 S CA 1.738 59.929 58.200 -0.015 0.000 0.970 688 S CB -0.238 62.958 63.200 -0.006 0.000 0.762 688 S HN 0.601 nan 8.310 nan 0.000 0.510 689 A N 0.609 123.409 122.820 -0.033 0.000 1.911 689 A HA 0.343 4.663 4.320 0.000 0.000 0.212 689 A C 2.145 179.682 177.584 -0.079 0.000 1.189 689 A CA 0.568 52.578 52.037 -0.045 0.000 0.639 689 A CB -0.496 18.485 19.000 -0.032 0.000 0.839 689 A HN 0.535 nan 8.150 nan 0.000 0.449 690 L N -0.022 121.136 121.223 -0.110 0.000 2.179 690 L HA -0.068 4.272 4.340 0.000 0.000 0.208 690 L C 2.445 179.261 176.870 -0.089 0.000 1.096 690 L CA 1.708 56.455 54.840 -0.155 0.000 0.779 690 L CB -0.145 41.724 42.059 -0.315 0.000 0.922 690 L HN 0.608 nan 8.230 nan 0.000 0.443 691 T N -3.813 110.701 114.554 -0.066 0.000 3.186 691 T HA 0.189 4.539 4.350 0.000 0.000 0.257 691 T C 1.395 176.083 174.700 -0.019 0.000 1.029 691 T CA 0.309 62.388 62.100 -0.035 0.000 0.916 691 T CB 0.301 69.152 68.868 -0.028 0.000 1.041 691 T HN 0.421 nan 8.240 nan 0.000 0.562 692 G N 1.937 110.723 108.800 -0.023 0.000 2.225 692 G HA2 -0.361 3.599 3.960 0.000 0.000 0.272 692 G HA3 -0.361 3.599 3.960 0.000 0.000 0.272 692 G C 0.806 175.699 174.900 -0.011 0.000 0.996 692 G CA 0.921 46.012 45.100 -0.015 0.000 0.710 692 G HN 0.625 nan 8.290 nan 0.000 0.522 693 R N 0.140 120.633 120.500 -0.012 0.000 1.451 693 R HA 0.539 4.879 4.340 0.000 0.000 0.066 693 R C 0.645 176.940 176.300 -0.007 0.000 0.461 693 R CA 0.801 56.896 56.100 -0.008 0.000 2.066 693 R CB -0.058 30.238 30.300 -0.007 0.000 0.491 693 R HN 1.138 nan 8.270 nan 0.000 0.765 694 A N -0.264 122.552 122.820 -0.006 0.000 2.549 694 A HA 0.258 4.578 4.320 0.000 0.000 0.306 694 A C -1.026 176.556 177.584 -0.004 0.000 1.053 694 A CA -0.728 51.306 52.037 -0.005 0.000 0.892 694 A CB 0.701 19.698 19.000 -0.005 0.000 1.329 694 A HN 0.230 nan 8.150 nan 0.000 0.388 695 V N 2.023 121.936 119.914 -0.003 0.000 2.655 695 V HA 0.286 4.406 4.120 0.000 0.000 0.300 695 V C 1.354 177.446 176.094 -0.004 0.000 1.044 695 V CA 0.609 62.908 62.300 -0.002 0.000 1.095 695 V CB 1.671 33.493 31.823 -0.002 0.000 0.952 695 V HN 1.111 nan 8.190 nan 0.000 0.485 696 S N 5.431 121.130 115.700 -0.003 0.000 2.443 696 S HA 0.075 4.545 4.470 0.000 0.000 0.284 696 S C 1.625 176.218 174.600 -0.011 0.000 1.206 696 S CA -0.366 57.831 58.200 -0.005 0.000 1.074 696 S CB -0.020 63.179 63.200 -0.001 0.000 0.963 696 S HN 0.805 nan 8.310 nan 0.000 0.501 697 R N 3.882 124.374 120.500 -0.013 0.000 2.226 697 R HA -0.190 4.150 4.340 0.000 0.000 0.246 697 R C 1.150 177.431 176.300 -0.033 0.000 1.161 697 R CA 2.087 58.175 56.100 -0.021 0.000 0.997 697 R CB -0.436 29.853 30.300 -0.018 0.000 0.870 697 R HN 0.684 nan 8.270 nan 0.000 0.465 698 E N 0.964 121.147 120.200 -0.029 0.000 2.208 698 E HA 0.005 4.355 4.350 0.000 0.000 0.193 698 E C 0.067 176.638 176.600 -0.048 0.000 0.988 698 E CA 0.674 57.049 56.400 -0.041 0.000 0.828 698 E CB 0.295 29.979 29.700 -0.028 0.000 0.763 698 E HN 0.132 nan 8.360 nan 0.000 0.478 699 V N 1.212 121.106 119.914 -0.033 0.000 2.498 699 V HA 0.363 4.483 4.120 0.000 0.000 0.279 699 V C 0.479 176.550 176.094 -0.040 0.000 1.048 699 V CA -0.526 61.754 62.300 -0.033 0.000 0.967 699 V CB 1.326 33.144 31.823 -0.008 0.000 0.988 699 V HN 0.083 nan 8.190 nan 0.000 0.473 700 G N 5.129 113.898 108.800 -0.051 0.000 2.415 700 G HA2 0.738 4.698 3.960 0.000 0.000 0.327 700 G HA3 0.738 4.698 3.960 0.000 0.000 0.327 700 G C -0.700 174.181 174.900 -0.032 0.000 1.182 700 G CA -0.768 44.305 45.100 -0.045 0.000 0.924 700 G HN 0.828 nan 8.290 nan 0.000 0.470 701 M N 0.658 120.246 119.600 -0.020 0.000 2.572 701 M HA 0.851 5.331 4.480 0.000 0.000 0.299 701 M C -1.094 175.204 176.300 -0.005 0.000 1.205 701 M CA -0.713 54.581 55.300 -0.011 0.000 0.876 701 M CB 2.745 35.339 32.600 -0.010 0.000 1.728 701 M HN 0.390 nan 8.290 nan 0.000 0.458 702 T N 0.902 115.458 114.554 0.003 0.000 2.993 702 T HA 0.863 5.213 4.350 0.000 0.000 0.312 702 T C -1.010 173.687 174.700 -0.004 0.000 1.115 702 T CA 0.103 62.205 62.100 0.003 0.000 1.027 702 T CB 1.736 70.614 68.868 0.016 0.000 1.116 702 T HN 1.342 nan 8.240 nan 0.000 0.464 703 G N 2.567 111.359 108.800 -0.013 0.000 2.402 703 G HA2 0.401 4.361 3.960 0.000 0.000 0.301 703 G HA3 0.401 4.361 3.960 0.000 0.000 0.301 703 G C -1.702 173.180 174.900 -0.030 0.000 1.615 703 G CA -0.758 44.327 45.100 -0.025 0.000 0.889 703 G HN 0.772 nan 8.290 nan 0.000 0.647 704 E N 0.092 120.272 120.200 -0.035 0.000 2.301 704 E HA 0.573 4.923 4.350 0.000 0.000 0.275 704 E C -0.629 175.947 176.600 -0.040 0.000 1.030 704 E CA -0.670 55.711 56.400 -0.032 0.000 0.852 704 E CB 1.181 30.863 29.700 -0.030 0.000 1.060 704 E HN 0.286 nan 8.360 nan 0.000 0.401 705 I N 2.447 123.000 120.570 -0.029 0.000 2.648 705 I HA 0.297 4.467 4.170 0.000 0.000 0.304 705 I C -0.060 176.052 176.117 -0.009 0.000 1.009 705 I CA -0.181 61.098 61.300 -0.034 0.000 1.114 705 I CB 1.947 39.929 38.000 -0.030 0.000 1.293 705 I HN 0.645 nan 8.210 nan 0.000 0.449 706 T N 3.413 117.968 114.554 0.001 0.000 2.916 706 T HA 0.459 4.809 4.350 0.000 0.000 0.292 706 T C 1.268 176.020 174.700 0.087 0.000 1.055 706 T CA -0.684 61.437 62.100 0.035 0.000 1.009 706 T CB 0.825 69.708 68.868 0.025 0.000 1.118 706 T HN 0.443 nan 8.240 nan 0.000 0.497 707 L N 0.723 122.004 121.223 0.097 0.000 2.011 707 L HA -0.219 4.121 4.340 0.000 0.000 0.225 707 L C 3.009 179.998 176.870 0.199 0.000 1.084 707 L CA 1.664 56.583 54.840 0.132 0.000 0.791 707 L CB -0.425 41.685 42.059 0.086 0.000 0.898 707 L HN 0.691 nan 8.230 nan 0.000 0.440 708 R N -0.288 120.312 120.500 0.167 0.000 2.241 708 R HA -0.064 4.276 4.340 0.000 0.000 0.224 708 R C 1.441 177.973 176.300 0.387 0.000 1.101 708 R CA 1.041 57.266 56.100 0.209 0.000 0.995 708 R CB -0.457 29.933 30.300 0.149 0.000 0.870 708 R HN 0.661 nan 8.270 nan 0.000 0.463 709 G N 0.832 109.825 108.800 0.323 0.000 2.168 709 G HA2 -0.244 3.716 3.960 0.000 0.000 0.197 709 G HA3 -0.244 3.716 3.960 0.000 0.000 0.197 709 G C -0.044 174.875 174.900 0.031 0.000 0.997 709 G CA -0.249 44.924 45.100 0.122 0.000 0.658 709 G HN 0.250 nan 8.290 nan 0.000 0.513 710 R N -0.398 120.121 120.500 0.030 0.000 2.643 710 R HA 0.476 4.816 4.340 0.000 0.000 0.270 710 R C 0.155 176.371 176.300 -0.140 0.000 1.061 710 R CA 0.074 56.100 56.100 -0.124 0.000 1.107 710 R CB 1.093 31.345 30.300 -0.080 0.000 0.999 710 R HN 0.074 nan 8.270 nan 0.000 0.460 711 V N 5.590 125.383 119.914 -0.201 0.000 2.275 711 V HA 0.220 4.340 4.120 0.000 0.000 0.272 711 V C 0.132 176.159 176.094 -0.112 0.000 1.028 711 V CA -0.438 61.782 62.300 -0.134 0.000 0.810 711 V CB 0.617 32.366 31.823 -0.123 0.000 1.043 711 V HN 0.560 nan 8.190 nan 0.000 0.453 712 L N 5.784 126.959 121.223 -0.080 0.000 2.468 712 L HA 0.444 4.784 4.340 0.000 0.000 0.254 712 L C -2.090 174.747 176.870 -0.054 0.000 1.171 712 L CA -1.799 53.003 54.840 -0.064 0.000 0.809 712 L CB 0.781 42.811 42.059 -0.048 0.000 1.155 712 L HN 0.341 nan 8.230 nan 0.000 0.473 713 P HA 0.172 nan 4.420 nan 0.000 0.271 713 P C -0.827 176.447 177.300 -0.042 0.000 1.218 713 P CA -0.037 63.035 63.100 -0.045 0.000 0.780 713 P CB 0.739 32.413 31.700 -0.044 0.000 0.901 714 I N 1.025 121.571 120.570 -0.040 0.000 2.910 714 I HA 0.577 4.747 4.170 0.000 0.000 0.310 714 I C 0.505 176.594 176.117 -0.047 0.000 1.043 714 I CA -0.745 60.533 61.300 -0.037 0.000 1.053 714 I CB 1.639 39.626 38.000 -0.022 0.000 1.242 714 I HN 0.345 nan 8.210 nan 0.000 0.452 715 G N 1.640 110.403 108.800 -0.062 0.000 2.377 715 G HA2 0.485 4.445 3.960 0.000 0.000 0.299 715 G HA3 0.485 4.445 3.960 0.000 0.000 0.299 715 G C 0.340 175.193 174.900 -0.078 0.000 1.150 715 G CA -0.141 44.898 45.100 -0.103 0.000 0.847 715 G HN 1.259 nan 8.290 nan 0.000 0.501 716 G N 0.873 109.625 108.800 -0.079 0.000 2.393 716 G HA2 -0.248 3.712 3.960 0.000 0.000 0.299 716 G HA3 -0.248 3.712 3.960 0.000 0.000 0.299 716 G C 1.026 175.976 174.900 0.082 0.000 0.990 716 G CA 0.388 45.499 45.100 0.018 0.000 1.118 716 G HN 0.759 nan 8.290 nan 0.000 0.513 717 L N -0.719 120.527 121.223 0.037 0.000 2.129 717 L HA -0.132 4.208 4.340 0.000 0.000 0.212 717 L C 2.852 179.767 176.870 0.076 0.000 1.087 717 L CA 2.648 57.520 54.840 0.054 0.000 0.757 717 L CB -0.298 41.769 42.059 0.014 0.000 0.896 717 L HN 0.667 nan 8.230 nan 0.000 0.434 718 K N 0.343 120.775 120.400 0.054 0.000 1.977 718 K HA -0.278 4.042 4.320 0.000 0.000 0.218 718 K C 1.759 178.400 176.600 0.067 0.000 1.051 718 K CA 2.313 58.631 56.287 0.051 0.000 0.953 718 K CB -0.100 32.418 32.500 0.029 0.000 0.727 718 K HN 0.202 nan 8.250 nan 0.000 0.445 719 E N 0.649 120.894 120.200 0.076 0.000 2.171 719 E HA -0.182 4.168 4.350 0.000 0.000 0.197 719 E C 1.945 178.563 176.600 0.030 0.000 0.997 719 E CA 1.512 57.931 56.400 0.030 0.000 0.810 719 E CB 0.009 29.706 29.700 -0.004 0.000 0.738 719 E HN 0.299 nan 8.360 nan 0.000 0.467 720 K N -0.194 120.253 120.400 0.079 0.000 2.025 720 K HA -0.023 4.297 4.320 0.000 0.000 0.207 720 K C 2.072 178.708 176.600 0.059 0.000 1.049 720 K CA 1.217 57.544 56.287 0.068 0.000 0.933 720 K CB -0.107 32.449 32.500 0.093 0.000 0.714 720 K HN 0.152 nan 8.250 nan 0.000 0.438 721 A N 0.638 123.519 122.820 0.101 0.000 2.016 721 A HA -0.067 4.253 4.320 0.000 0.000 0.217 721 A C 1.927 179.563 177.584 0.087 0.000 1.162 721 A CA 0.659 52.764 52.037 0.113 0.000 0.662 721 A CB -0.312 18.852 19.000 0.274 0.000 0.812 721 A HN 0.195 nan 8.150 nan 0.000 0.450 722 L N 0.138 121.407 121.223 0.077 0.000 2.012 722 L HA -0.073 4.267 4.340 0.000 0.000 0.210 722 L C 2.319 179.226 176.870 0.062 0.000 1.073 722 L CA 2.318 57.200 54.840 0.068 0.000 0.748 722 L CB -0.900 41.181 42.059 0.035 0.000 0.891 722 L HN 0.316 nan 8.230 nan 0.000 0.431 723 G N -2.255 106.554 108.800 0.014 0.000 2.813 723 G HA2 0.079 4.039 3.960 0.000 0.000 0.209 723 G HA3 0.079 4.039 3.960 0.000 0.000 0.209 723 G C 1.434 176.313 174.900 -0.035 0.000 1.150 723 G CA 0.543 45.629 45.100 -0.024 0.000 0.785 723 G HN 0.577 nan 8.290 nan 0.000 0.535 724 A N -0.164 122.651 122.820 -0.007 0.000 1.935 724 A HA 0.047 4.367 4.320 0.000 0.000 0.214 724 A C 1.960 179.521 177.584 -0.040 0.000 1.178 724 A CA 1.368 53.382 52.037 -0.038 0.000 0.640 724 A CB -0.626 18.353 19.000 -0.035 0.000 0.825 724 A HN 0.492 nan 8.150 nan 0.000 0.447 725 H N -0.596 118.420 119.070 -0.091 0.000 2.395 725 H HA 0.013 4.569 4.556 0.000 0.000 0.299 725 H C 2.315 177.592 175.328 -0.086 0.000 1.070 725 H CA 1.323 57.321 56.048 -0.084 0.000 1.356 725 H CB 0.054 29.796 29.762 -0.034 0.000 1.401 725 H HN 0.412 nan 8.280 nan 0.000 0.524 726 R N 0.218 120.656 120.500 -0.102 0.000 2.096 726 R HA -0.050 4.290 4.340 0.000 0.000 0.235 726 R C 2.151 178.324 176.300 -0.212 0.000 1.127 726 R CA 1.302 57.324 56.100 -0.131 0.000 0.968 726 R CB -0.087 30.174 30.300 -0.065 0.000 0.861 726 R HN 0.289 nan 8.270 nan 0.000 0.440 727 A N -0.498 122.161 122.820 -0.267 0.000 2.251 727 A HA 0.262 4.582 4.320 0.000 0.000 0.209 727 A C 0.790 177.989 177.584 -0.641 0.000 1.187 727 A CA 0.489 52.305 52.037 -0.368 0.000 0.823 727 A CB -0.061 18.793 19.000 -0.244 0.000 0.846 727 A HN 0.428 nan 8.150 nan 0.000 0.486 728 G N -0.374 108.036 108.800 -0.650 0.000 2.385 728 G HA2 -0.130 3.830 3.960 0.000 0.000 0.294 728 G HA3 -0.130 3.830 3.960 0.000 0.000 0.294 728 G C -0.377 174.274 174.900 -0.415 0.000 1.070 728 G CA 0.201 44.860 45.100 -0.734 0.000 1.172 728 G HN 0.311 nan 8.290 nan 0.000 0.516 729 L N -0.471 120.607 121.223 -0.242 0.000 2.387 729 L HA 0.745 5.085 4.340 0.000 0.000 0.266 729 L C 1.730 178.536 176.870 -0.106 0.000 1.059 729 L CA 0.342 55.086 54.840 -0.159 0.000 0.801 729 L CB 1.037 43.017 42.059 -0.132 0.000 1.223 729 L HN 0.252 nan 8.230 nan 0.000 0.456 730 T N -1.665 112.838 114.554 -0.086 0.000 2.898 730 T HA 0.083 4.433 4.350 0.000 0.000 0.241 730 T C 0.314 174.952 174.700 -0.104 0.000 1.024 730 T CA 0.633 62.693 62.100 -0.067 0.000 1.174 730 T CB 0.120 68.964 68.868 -0.039 0.000 0.873 730 T HN 0.658 nan 8.240 nan 0.000 0.422 731 T N 2.467 116.965 114.554 -0.093 0.000 2.859 731 T HA 0.648 4.998 4.350 0.000 0.000 0.281 731 T C -0.606 174.015 174.700 -0.131 0.000 1.005 731 T CA -0.547 61.490 62.100 -0.105 0.000 1.025 731 T CB 1.783 70.633 68.868 -0.030 0.000 0.977 731 T HN 0.182 nan 8.240 nan 0.000 0.458 732 I N 3.533 123.994 120.570 -0.182 0.000 2.714 732 I HA 0.336 4.506 4.170 0.000 0.000 0.276 732 I C -0.775 175.309 176.117 -0.055 0.000 1.196 732 I CA -0.832 60.380 61.300 -0.146 0.000 1.068 732 I CB 0.086 37.944 38.000 -0.237 0.000 1.291 732 I HN 0.709 nan 8.210 nan 0.000 0.530 733 I N 6.034 126.584 120.570 -0.034 0.000 2.742 733 I HA 0.122 4.292 4.170 0.000 0.000 0.287 733 I C 0.690 176.817 176.117 0.015 0.000 1.186 733 I CA 0.562 61.852 61.300 -0.017 0.000 1.417 733 I CB 0.384 38.372 38.000 -0.020 0.000 1.377 733 I HN 0.639 nan 8.210 nan 0.000 0.556 734 A N 8.276 131.116 122.820 0.033 0.000 2.564 734 A HA 0.789 5.109 4.320 0.000 0.000 0.288 734 A C -2.765 174.819 177.584 0.001 0.000 1.164 734 A CA -1.663 50.392 52.037 0.031 0.000 0.712 734 A CB 1.278 20.323 19.000 0.077 0.000 1.303 734 A HN 0.378 nan 8.150 nan 0.000 0.418 735 P HA 0.081 nan 4.420 nan 0.000 0.264 735 P C 0.382 177.660 177.300 -0.037 0.000 1.183 735 P CA 0.257 63.335 63.100 -0.036 0.000 0.763 735 P CB 0.691 32.367 31.700 -0.040 0.000 0.807 736 K N 3.186 123.559 120.400 -0.045 0.000 2.032 736 K HA -0.177 4.143 4.320 0.000 0.000 0.209 736 K C 0.570 177.143 176.600 -0.045 0.000 1.048 736 K CA 1.902 58.165 56.287 -0.040 0.000 0.927 736 K CB -0.825 31.653 32.500 -0.037 0.000 0.712 736 K HN 0.338 nan 8.250 nan 0.000 0.441 737 D N -0.224 120.147 120.400 -0.049 0.000 2.348 737 D HA -0.029 4.611 4.640 0.000 0.000 0.248 737 D C 0.201 176.471 176.300 -0.050 0.000 1.142 737 D CA 0.523 54.495 54.000 -0.047 0.000 0.904 737 D CB -0.300 40.471 40.800 -0.047 0.000 0.901 737 D HN 0.368 nan 8.370 nan 0.000 0.523 738 N N -0.433 118.234 118.700 -0.055 0.000 2.184 738 N HA -0.003 4.737 4.740 0.000 0.000 0.206 738 N C 1.442 176.900 175.510 -0.088 0.000 1.151 738 N CA -0.139 52.873 53.050 -0.063 0.000 0.878 738 N CB 0.735 39.191 38.487 -0.052 0.000 1.014 738 N HN 0.096 nan 8.380 nan 0.000 0.512 739 E N 1.228 121.376 120.200 -0.087 0.000 2.085 739 E HA -0.238 4.112 4.350 0.000 0.000 0.194 739 E C 1.463 177.993 176.600 -0.117 0.000 0.994 739 E CA 1.108 57.440 56.400 -0.113 0.000 0.801 739 E CB 0.156 29.807 29.700 -0.083 0.000 0.743 739 E HN -0.014 nan 8.360 nan 0.000 0.453 740 K N 0.682 121.030 120.400 -0.086 0.000 2.574 740 K HA -0.109 4.212 4.320 0.000 0.000 0.193 740 K C 0.584 177.133 176.600 -0.085 0.000 1.035 740 K CA 0.979 57.220 56.287 -0.076 0.000 0.982 740 K CB -0.007 32.459 32.500 -0.056 0.000 0.795 740 K HN 0.140 nan 8.250 nan 0.000 0.491 741 D N -0.904 119.433 120.400 -0.106 0.000 2.388 741 D HA 0.143 4.783 4.640 0.000 0.000 0.208 741 D C 1.243 177.453 176.300 -0.150 0.000 1.035 741 D CA 0.318 54.255 54.000 -0.105 0.000 0.875 741 D CB 0.244 40.991 40.800 -0.089 0.000 0.984 741 D HN 0.203 nan 8.370 nan 0.000 0.508 742 I N 0.536 120.970 120.570 -0.227 0.000 2.830 742 I HA -0.147 4.023 4.170 0.000 0.000 0.263 742 I C 2.092 178.080 176.117 -0.216 0.000 1.230 742 I CA 0.522 61.616 61.300 -0.343 0.000 1.480 742 I CB 0.074 37.748 38.000 -0.543 0.000 1.095 742 I HN -0.082 nan 8.210 nan 0.000 0.455 743 E N 1.637 121.750 120.200 -0.145 0.000 2.049 743 E HA -0.317 4.033 4.350 0.000 0.000 0.198 743 E C 1.605 178.161 176.600 -0.073 0.000 1.007 743 E CA 1.867 58.210 56.400 -0.094 0.000 0.809 743 E CB -0.113 29.545 29.700 -0.070 0.000 0.749 743 E HN 0.290 nan 8.360 nan 0.000 0.450 744 D N -0.822 119.538 120.400 -0.067 0.000 2.349 744 D HA 0.031 4.671 4.640 0.000 0.000 0.224 744 D C -0.166 176.112 176.300 -0.036 0.000 1.029 744 D CA -0.012 53.962 54.000 -0.044 0.000 0.879 744 D CB -0.025 40.753 40.800 -0.037 0.000 0.906 744 D HN 0.198 nan 8.370 nan 0.000 0.528 745 I N 2.112 122.652 120.570 -0.050 0.000 2.581 745 I HA 0.060 4.230 4.170 0.000 0.000 0.285 745 I C -1.838 174.277 176.117 -0.004 0.000 1.129 745 I CA -1.599 59.688 61.300 -0.021 0.000 1.397 745 I CB 0.622 38.608 38.000 -0.023 0.000 1.399 745 I HN -0.150 nan 8.210 nan 0.000 0.537 746 P HA -0.073 nan 4.420 nan 0.000 0.263 746 P C 0.297 177.601 177.300 0.006 0.000 1.175 746 P CA 0.132 63.238 63.100 0.010 0.000 0.761 746 P CB 0.494 32.206 31.700 0.021 0.000 0.794 747 E N 1.544 121.749 120.200 0.009 0.000 2.095 747 E HA -0.285 4.065 4.350 0.000 0.000 0.212 747 E C 1.761 178.357 176.600 -0.007 0.000 1.044 747 E CA 2.517 58.922 56.400 0.007 0.000 0.857 747 E CB -1.582 28.127 29.700 0.015 0.000 0.764 747 E HN 0.419 nan 8.360 nan 0.000 0.462 748 S N 0.371 116.065 115.700 -0.010 0.000 2.380 748 S HA -0.227 4.243 4.470 0.000 0.000 0.229 748 S C 2.161 176.669 174.600 -0.153 0.000 1.043 748 S CA 1.481 59.660 58.200 -0.036 0.000 1.038 748 S CB -0.758 62.444 63.200 0.003 0.000 0.872 748 S HN 0.255 nan 8.310 nan 0.000 0.456 749 V N 1.950 121.743 119.914 -0.203 0.000 2.500 749 V HA 0.113 4.233 4.120 0.000 0.000 0.243 749 V C 2.338 178.321 176.094 -0.184 0.000 1.039 749 V CA 1.275 63.319 62.300 -0.427 0.000 1.053 749 V CB -0.494 31.157 31.823 -0.286 0.000 0.695 749 V HN 0.440 nan 8.190 nan 0.000 0.463 750 R N 0.057 120.561 120.500 0.007 0.000 2.249 750 R HA -0.222 4.118 4.340 0.000 0.000 0.230 750 R C 2.125 178.482 176.300 0.095 0.000 1.121 750 R CA 2.119 58.327 56.100 0.179 0.000 0.997 750 R CB -0.228 30.150 30.300 0.130 0.000 0.867 750 R HN 0.772 nan 8.270 nan 0.000 0.465 751 E N -1.218 118.979 120.200 -0.004 0.000 2.318 751 E HA -0.020 4.330 4.350 0.000 0.000 0.193 751 E C 1.084 177.678 176.600 -0.010 0.000 0.998 751 E CA 0.711 57.112 56.400 0.001 0.000 0.859 751 E CB 0.221 29.919 29.700 -0.003 0.000 0.812 751 E HN 0.485 nan 8.360 nan 0.000 0.492 752 G N 0.560 109.323 108.800 -0.062 0.000 3.393 752 G HA2 0.253 4.213 3.960 0.000 0.000 0.255 752 G HA3 0.253 4.213 3.960 0.000 0.000 0.255 752 G C -0.001 174.883 174.900 -0.028 0.000 1.097 752 G CA -0.271 44.827 45.100 -0.002 0.000 0.780 752 G HN 0.007 nan 8.290 nan 0.000 0.540 753 L N 1.307 122.468 121.223 -0.104 0.000 2.408 753 L HA 0.405 4.745 4.340 0.000 0.000 0.268 753 L C -0.361 176.370 176.870 -0.231 0.000 0.986 753 L CA -0.866 53.822 54.840 -0.254 0.000 0.820 753 L CB 2.570 44.292 42.059 -0.560 0.000 1.303 753 L HN 0.051 nan 8.230 nan 0.000 0.411 754 T N -0.978 113.451 114.554 -0.209 0.000 2.832 754 T HA 0.445 4.795 4.350 0.000 0.000 0.313 754 T C -0.372 174.236 174.700 -0.152 0.000 1.035 754 T CA -0.369 61.674 62.100 -0.096 0.000 0.950 754 T CB -0.290 68.562 68.868 -0.028 0.000 0.984 754 T HN 0.129 nan 8.240 nan 0.000 0.486 755 F N 4.005 123.938 119.950 -0.029 0.000 2.468 755 F HA 0.283 4.811 4.527 0.001 0.000 0.356 755 F C 0.624 176.379 175.800 -0.075 0.000 1.167 755 F CA -1.239 56.734 58.000 -0.045 0.000 1.135 755 F CB 0.195 39.171 39.000 -0.039 0.000 1.197 755 F HN 0.399 nan 8.300 nan 0.000 0.569 756 I N 5.700 126.277 120.570 0.011 0.000 2.322 756 I HA 0.132 4.302 4.170 0.000 0.000 0.292 756 I C 0.076 176.154 176.117 -0.064 0.000 1.060 756 I CA -0.423 60.801 61.300 -0.126 0.000 1.309 756 I CB 0.141 37.932 38.000 -0.347 0.000 1.415 756 I HN 0.389 nan 8.210 nan 0.000 0.492 757 L N 5.849 127.043 121.223 -0.049 0.000 2.325 757 L HA 0.796 5.136 4.340 0.000 0.000 0.279 757 L C 0.229 177.073 176.870 -0.042 0.000 1.054 757 L CA -0.544 54.280 54.840 -0.027 0.000 0.804 757 L CB 1.666 43.715 42.059 -0.016 0.000 1.200 757 L HN 0.685 nan 8.230 nan 0.000 0.436 758 A N 1.199 123.999 122.820 -0.033 0.000 2.556 758 A HA 0.691 5.011 4.320 0.000 0.000 0.294 758 A C -0.033 177.527 177.584 -0.039 0.000 1.091 758 A CA -0.290 51.734 52.037 -0.021 0.000 0.704 758 A CB 1.890 20.878 19.000 -0.020 0.000 1.300 758 A HN 0.707 nan 8.150 nan 0.000 0.406 759 S N -0.394 115.286 115.700 -0.034 0.000 2.619 759 S HA 0.309 4.779 4.470 0.000 0.000 0.238 759 S C 0.403 174.758 174.600 -0.409 0.000 1.068 759 S CA 0.054 58.144 58.200 -0.184 0.000 0.926 759 S CB -0.046 63.062 63.200 -0.154 0.000 0.864 759 S HN 0.780 nan 8.310 nan 0.000 0.493 760 H N 0.117 119.177 119.070 -0.017 0.000 2.865 760 H HA 0.438 4.993 4.556 -0.001 0.000 0.372 760 H C 0.628 175.916 175.328 -0.067 0.000 1.173 760 H CA -0.831 55.199 56.048 -0.030 0.000 1.147 760 H CB 1.675 31.447 29.762 0.016 0.000 1.805 760 H HN -0.075 nan 8.280 nan 0.000 0.553 761 L N 0.561 121.754 121.223 -0.051 0.000 1.978 761 L HA -0.292 4.048 4.340 0.000 0.000 0.218 761 L C 2.005 178.863 176.870 -0.020 0.000 1.075 761 L CA 2.011 56.760 54.840 -0.151 0.000 0.767 761 L CB -0.509 41.252 42.059 -0.496 0.000 0.890 761 L HN 0.733 nan 8.230 nan 0.000 0.434 762 D N -0.436 119.995 120.400 0.052 0.000 2.170 762 D HA -0.291 4.349 4.640 0.000 0.000 0.193 762 D C 1.773 178.120 176.300 0.079 0.000 1.004 762 D CA 1.607 55.657 54.000 0.083 0.000 0.860 762 D CB -0.488 40.372 40.800 0.101 0.000 0.931 762 D HN 0.529 nan 8.370 nan 0.000 0.448 763 E N 0.438 120.693 120.200 0.091 0.000 2.038 763 E HA -0.138 4.212 4.350 0.000 0.000 0.195 763 E C 2.553 179.214 176.600 0.101 0.000 1.000 763 E CA 1.001 57.463 56.400 0.103 0.000 0.803 763 E CB 0.082 29.838 29.700 0.095 0.000 0.750 763 E HN 0.188 nan 8.360 nan 0.000 0.448 764 V N 1.622 121.567 119.914 0.052 0.000 2.261 764 V HA -0.281 3.839 4.120 0.000 0.000 0.246 764 V C 2.539 178.670 176.094 0.062 0.000 1.047 764 V CA 1.541 63.864 62.300 0.039 0.000 1.015 764 V CB -0.605 31.215 31.823 -0.004 0.000 0.642 764 V HN 0.271 nan 8.190 nan 0.000 0.446 765 L N -0.127 121.121 121.223 0.040 0.000 2.043 765 L HA -0.272 4.068 4.340 0.000 0.000 0.212 765 L C 2.673 179.572 176.870 0.049 0.000 1.075 765 L CA 2.180 57.043 54.840 0.038 0.000 0.752 765 L CB -0.567 41.514 42.059 0.036 0.000 0.891 765 L HN 0.466 nan 8.230 nan 0.000 0.432 766 E N -0.674 119.565 120.200 0.065 0.000 2.110 766 E HA -0.262 4.088 4.350 0.000 0.000 0.193 766 E C 1.942 178.543 176.600 0.002 0.000 0.988 766 E CA 1.454 57.876 56.400 0.036 0.000 0.804 766 E CB 0.057 29.787 29.700 0.049 0.000 0.745 766 E HN 0.556 nan 8.360 nan 0.000 0.458 767 H N -1.635 117.438 119.070 0.006 0.000 2.525 767 H HA 0.209 4.765 4.556 0.000 0.000 0.275 767 H C 1.340 176.665 175.328 -0.004 0.000 0.984 767 H CA 1.039 57.089 56.048 0.002 0.000 1.264 767 H CB 0.549 30.313 29.762 0.005 0.000 1.432 767 H HN 0.213 nan 8.280 nan 0.000 0.549 768 A N -0.260 122.620 122.820 0.101 0.000 2.197 768 A HA 0.253 4.573 4.320 0.000 0.000 0.210 768 A C 0.523 178.120 177.584 0.023 0.000 1.180 768 A CA -0.039 52.030 52.037 0.053 0.000 0.846 768 A CB 0.378 19.401 19.000 0.038 0.000 0.884 768 A HN 0.153 nan 8.150 nan 0.000 0.487 769 L N -0.730 120.503 121.223 0.016 0.000 2.332 769 L HA 0.673 5.013 4.340 0.000 0.000 0.269 769 L C -0.057 176.807 176.870 -0.010 0.000 1.016 769 L CA -0.675 54.167 54.840 0.002 0.000 0.809 769 L CB 1.813 43.874 42.059 0.004 0.000 1.280 769 L HN 0.096 nan 8.230 nan 0.000 0.447 770 V N 0.000 119.907 119.914 -0.011 0.000 2.409 770 V HA 0.000 4.120 4.120 0.000 0.000 0.244 770 V CA 0.000 62.290 62.300 -0.017 0.000 1.235 770 V CB 0.000 31.813 31.823 -0.016 0.000 1.184 770 V HN 0.000 nan 8.190 nan 0.000 0.556