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 1sk6_1_A DATA FIRST_RESID 292 DATA SEQUENCE RIDVLKGEKA LKASGLVPEH ADAFKKIARE LNTYILFRPV NKLATNLIKS DATA SEQUENCE GVATKGLNVH GKSSDWGPVA GYIPFDQDLS KKHGQQLAVE KGNLENKKSI DATA SEQUENCE TEHEGEIGKI PLKLDHLRIE ELKENGIILK GKKEIDNGKK YYLLESNNQV DATA SEQUENCE YEFRISDENN EVQYKTKEGK ITVLGEKFNW RNIEVMAKNV EGVLKPLTAD DATA SEQUENCE YDLFALAPSL TEIKKQIPQK EWDKVVNTPN SLEKQKGVTN LLIKYGIERK DATA SEQUENCE PDSTKGTLSN WQKQMLDRLN EAVKYTGYTG GDVVNHGTEQ DNEEFPEKDN DATA SEQUENCE EIFIINPEGE FILTKNWEMT GRFIEKNITG KDYLYYFNRS YNKIAPGNKA DATA SEQUENCE YIEWTDPITK AKINTIPTSA EFIKNLSSIR RSXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXKKIAGYL SDYYNSANHI FSQEKKRKIS IFRGIQAYNE IENVLKSKQI DATA SEQUENCE APEYKNYFQY LKERITNQVQ LLLTHQXXXX XFKLLYKQLN FTENETDNFE DATA SEQUENCE VFQKIID 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 292 R HA 0.000 nan 4.340 nan 0.000 0.208 292 R C 0.000 176.298 176.300 -0.004 0.000 0.893 292 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 292 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 293 I N 0.356 120.933 120.570 0.012 0.000 2.730 293 I HA 0.335 4.506 4.170 0.001 0.000 0.298 293 I C -0.540 175.594 176.117 0.028 0.000 1.089 293 I CA -0.965 60.347 61.300 0.020 0.000 1.041 293 I CB 2.198 40.224 38.000 0.043 0.000 1.235 293 I HN 0.535 nan 8.210 nan 0.000 0.423 294 D N 4.541 124.952 120.400 0.019 0.000 2.545 294 D HA 0.228 4.869 4.640 0.001 0.000 0.227 294 D C -0.769 175.543 176.300 0.020 0.000 1.150 294 D CA 0.338 54.348 54.000 0.018 0.000 1.046 294 D CB 0.293 41.100 40.800 0.011 0.000 1.098 294 D HN 0.241 nan 8.370 nan 0.000 0.502 295 V N 3.427 123.359 119.914 0.031 0.000 2.881 295 V HA 0.468 4.589 4.120 0.001 0.000 0.316 295 V C -0.477 175.635 176.094 0.029 0.000 1.070 295 V CA -0.944 61.371 62.300 0.025 0.000 0.976 295 V CB 1.868 33.715 31.823 0.039 0.000 1.038 295 V HN 0.284 nan 8.190 nan 0.000 0.446 296 L N 5.445 126.682 121.223 0.024 0.000 2.292 296 L HA 0.540 4.881 4.340 0.001 0.000 0.284 296 L C 0.067 176.975 176.870 0.063 0.000 1.065 296 L CA -0.334 54.530 54.840 0.041 0.000 0.806 296 L CB 1.154 43.236 42.059 0.038 0.000 1.175 296 L HN 0.640 nan 8.230 nan 0.000 0.431 297 K N 1.365 121.811 120.400 0.077 0.000 2.306 297 K HA 0.724 5.045 4.320 0.001 0.000 0.236 297 K C 0.253 176.935 176.600 0.137 0.000 1.013 297 K CA -0.412 55.938 56.287 0.105 0.000 0.857 297 K CB 1.776 34.323 32.500 0.080 0.000 1.214 297 K HN 0.709 nan 8.250 nan 0.000 0.449 298 G N 1.196 110.108 108.800 0.187 0.000 2.668 298 G HA2 -0.373 3.588 3.960 0.001 0.000 0.266 298 G HA3 -0.373 3.588 3.960 0.001 0.000 0.266 298 G C 0.791 175.844 174.900 0.255 0.000 1.328 298 G CA 0.785 46.014 45.100 0.216 0.000 0.911 298 G HN 0.835 nan 8.290 nan 0.000 0.567 299 E N 0.011 120.334 120.200 0.206 0.000 2.200 299 E HA -0.261 4.090 4.350 0.001 0.000 0.211 299 E C 2.332 178.979 176.600 0.079 0.000 1.048 299 E CA 2.619 59.106 56.400 0.146 0.000 0.851 299 E CB -0.237 29.514 29.700 0.086 0.000 0.747 299 E HN 0.639 nan 8.360 nan 0.000 0.462 300 K N -0.691 119.750 120.400 0.069 0.000 2.360 300 K HA -0.128 4.193 4.320 0.001 0.000 0.201 300 K C 1.880 178.497 176.600 0.029 0.000 1.046 300 K CA 0.968 57.276 56.287 0.036 0.000 0.940 300 K CB -0.070 32.452 32.500 0.037 0.000 0.748 300 K HN 0.257 nan 8.250 nan 0.000 0.465 301 A N 1.295 124.158 122.820 0.071 0.000 1.909 301 A HA 0.044 4.365 4.320 0.001 0.000 0.209 301 A C 2.041 179.596 177.584 -0.048 0.000 1.247 301 A CA 0.103 52.187 52.037 0.078 0.000 0.660 301 A CB -0.501 18.617 19.000 0.196 0.000 0.910 301 A HN 0.258 nan 8.150 nan 0.000 0.465 302 L N 0.209 121.381 121.223 -0.084 0.000 2.051 302 L HA -0.250 4.091 4.340 0.001 0.000 0.214 302 L C 2.348 178.965 176.870 -0.421 0.000 1.076 302 L CA 2.725 57.266 54.840 -0.499 0.000 0.758 302 L CB -0.304 41.546 42.059 -0.348 0.000 0.890 302 L HN 0.478 nan 8.230 nan 0.000 0.433 303 K N 0.033 120.309 120.400 -0.206 0.000 2.147 303 K HA -0.153 4.168 4.320 0.001 0.000 0.205 303 K C 1.667 178.161 176.600 -0.177 0.000 1.049 303 K CA 1.323 57.509 56.287 -0.168 0.000 0.936 303 K CB -0.160 32.288 32.500 -0.087 0.000 0.722 303 K HN 0.526 nan 8.250 nan 0.000 0.446 304 A N 0.440 123.162 122.820 -0.163 0.000 2.275 304 A HA 0.023 4.344 4.320 0.001 0.000 0.212 304 A C 1.777 179.249 177.584 -0.186 0.000 1.201 304 A CA 0.737 52.696 52.037 -0.131 0.000 0.843 304 A CB -0.140 18.820 19.000 -0.065 0.000 0.873 304 A HN 0.474 nan 8.150 nan 0.000 0.492 305 S N -1.988 113.497 115.700 -0.360 0.000 2.458 305 S HA 0.348 4.819 4.470 0.001 0.000 0.223 305 S C 1.651 176.000 174.600 -0.418 0.000 1.019 305 S CA 1.289 59.192 58.200 -0.495 0.000 0.937 305 S CB -0.154 62.298 63.200 -1.247 0.000 0.788 305 S HN 1.728 nan 8.310 nan 0.000 0.511 306 G N 0.612 109.184 108.800 -0.379 0.000 2.225 306 G HA2 -0.228 3.733 3.960 0.001 0.000 0.254 306 G HA3 -0.228 3.733 3.960 0.001 0.000 0.254 306 G C -0.077 174.624 174.900 -0.332 0.000 0.988 306 G CA 0.259 45.195 45.100 -0.275 0.000 0.625 306 G HN 0.533 nan 8.290 nan 0.000 0.527 307 L N 1.475 122.360 121.223 -0.563 0.000 2.485 307 L HA 0.422 4.763 4.340 0.001 0.000 0.275 307 L C 1.337 177.917 176.870 -0.484 0.000 1.207 307 L CA 0.173 54.614 54.840 -0.664 0.000 0.855 307 L CB 1.145 42.570 42.059 -1.056 0.000 1.114 307 L HN 0.094 nan 8.230 nan 0.000 0.485 308 V N 7.179 126.871 119.914 -0.371 0.000 2.599 308 V HA -0.031 4.089 4.120 0.001 0.000 0.300 308 V C -1.334 174.510 176.094 -0.418 0.000 1.034 308 V CA -0.605 61.442 62.300 -0.422 0.000 1.115 308 V CB 0.629 32.008 31.823 -0.740 0.000 0.934 308 V HN 0.797 nan 8.190 nan 0.000 0.485 309 P HA -0.125 nan 4.420 nan 0.000 0.215 309 P C 1.425 178.642 177.300 -0.138 0.000 1.157 309 P CA 1.166 64.150 63.100 -0.194 0.000 0.863 309 P CB 0.152 31.775 31.700 -0.127 0.000 0.787 310 E N -1.500 118.603 120.200 -0.162 0.000 2.267 310 E HA -0.226 4.125 4.350 0.001 0.000 0.197 310 E C 1.748 178.359 176.600 0.017 0.000 0.998 310 E CA 1.050 57.416 56.400 -0.057 0.000 0.830 310 E CB -0.633 29.044 29.700 -0.038 0.000 0.751 310 E HN 0.604 nan 8.360 nan 0.000 0.491 311 H N 0.018 118.943 119.070 -0.242 0.000 2.399 311 H HA 0.183 4.740 4.556 0.001 0.000 0.300 311 H C 2.258 177.155 175.328 -0.719 0.000 1.048 311 H CA 0.297 56.048 56.048 -0.495 0.000 1.370 311 H CB 0.175 29.592 29.762 -0.575 0.000 1.428 311 H HN 0.156 nan 8.280 nan 0.000 0.534 312 A N 1.134 123.749 122.820 -0.342 0.000 2.024 312 A HA -0.199 4.122 4.320 0.001 0.000 0.220 312 A C 1.618 179.391 177.584 0.315 0.000 1.164 312 A CA 1.888 53.892 52.037 -0.056 0.000 0.643 312 A CB -0.233 18.707 19.000 -0.099 0.000 0.806 312 A HN 0.294 nan 8.150 nan 0.000 0.451 313 D N -0.155 120.352 120.400 0.178 0.000 2.103 313 D HA 0.033 4.674 4.640 0.001 0.000 0.199 313 D C 2.231 178.639 176.300 0.180 0.000 0.978 313 D CA 1.444 55.561 54.000 0.195 0.000 0.829 313 D CB -0.347 40.523 40.800 0.117 0.000 0.981 313 D HN 0.375 nan 8.370 nan 0.000 0.464 314 A N -0.253 122.646 122.820 0.131 0.000 2.067 314 A HA -0.092 4.229 4.320 0.001 0.000 0.219 314 A C 2.086 179.905 177.584 0.392 0.000 1.158 314 A CA 0.687 52.844 52.037 0.200 0.000 0.661 314 A CB -0.900 18.191 19.000 0.151 0.000 0.801 314 A HN 0.259 nan 8.150 nan 0.000 0.452 315 F N 0.177 120.257 119.950 0.216 0.000 2.234 315 F HA -0.125 4.403 4.527 0.001 0.000 0.296 315 F C 2.296 178.219 175.800 0.205 0.000 1.089 315 F CA 0.866 59.012 58.000 0.244 0.000 1.343 315 F CB -0.077 39.128 39.000 0.341 0.000 1.040 315 F HN 0.208 nan 8.300 nan 0.000 0.498 316 K N 0.726 121.349 120.400 0.372 0.000 2.044 316 K HA -0.247 4.074 4.320 0.001 0.000 0.210 316 K C 1.759 178.438 176.600 0.133 0.000 1.049 316 K CA 1.475 57.869 56.287 0.179 0.000 0.927 316 K CB -0.341 32.186 32.500 0.046 0.000 0.713 316 K HN 0.005 nan 8.250 nan 0.000 0.443 317 K N 1.111 121.601 120.400 0.149 0.000 2.032 317 K HA -0.195 4.126 4.320 0.001 0.000 0.218 317 K C 1.883 178.541 176.600 0.097 0.000 1.054 317 K CA 1.766 58.118 56.287 0.110 0.000 0.941 317 K CB -0.343 32.234 32.500 0.127 0.000 0.720 317 K HN 0.035 nan 8.250 nan 0.000 0.449 318 I N 0.082 120.731 120.570 0.132 0.000 2.676 318 I HA -0.109 4.062 4.170 0.001 0.000 0.259 318 I C 1.972 178.131 176.117 0.069 0.000 1.194 318 I CA 1.108 62.463 61.300 0.092 0.000 1.473 318 I CB -0.648 37.405 38.000 0.089 0.000 1.096 318 I HN 0.178 nan 8.210 nan 0.000 0.443 319 A N 0.435 123.304 122.820 0.081 0.000 1.897 319 A HA -0.123 4.198 4.320 0.001 0.000 0.215 319 A C 2.487 180.075 177.584 0.006 0.000 1.181 319 A CA 1.278 53.341 52.037 0.043 0.000 0.620 319 A CB -0.365 18.666 19.000 0.052 0.000 0.821 319 A HN 0.302 nan 8.150 nan 0.000 0.443 320 R N -0.898 119.606 120.500 0.006 0.000 2.100 320 R HA -0.019 4.322 4.340 0.001 0.000 0.220 320 R C 2.257 178.558 176.300 0.002 0.000 1.091 320 R CA 1.078 57.171 56.100 -0.012 0.000 0.986 320 R CB -0.232 30.058 30.300 -0.017 0.000 0.888 320 R HN 0.744 nan 8.270 nan 0.000 0.444 321 E N 1.086 121.296 120.200 0.016 0.000 2.058 321 E HA -0.171 4.180 4.350 0.001 0.000 0.194 321 E C 1.289 177.897 176.600 0.013 0.000 0.997 321 E CA 1.083 57.492 56.400 0.014 0.000 0.801 321 E CB 0.114 29.828 29.700 0.023 0.000 0.746 321 E HN 0.254 nan 8.360 nan 0.000 0.450 322 L N 0.742 121.980 121.223 0.025 0.000 2.628 322 L HA 0.113 4.454 4.340 0.001 0.000 0.229 322 L C 0.402 177.290 176.870 0.030 0.000 1.137 322 L CA -0.312 54.545 54.840 0.028 0.000 0.909 322 L CB -0.232 41.858 42.059 0.052 0.000 1.137 322 L HN 0.160 nan 8.230 nan 0.000 0.470 323 N N 1.977 120.694 118.700 0.028 0.000 2.669 323 N HA -0.188 4.553 4.740 0.001 0.000 0.266 323 N C -0.348 175.245 175.510 0.139 0.000 1.024 323 N CA 1.118 54.201 53.050 0.056 0.000 0.766 323 N CB -0.568 37.932 38.487 0.022 0.000 0.898 323 N HN 0.548 nan 8.380 nan 0.000 0.548 324 T N -1.160 113.468 114.554 0.123 0.000 2.952 324 T HA 0.476 4.827 4.350 0.001 0.000 0.305 324 T C -0.415 174.375 174.700 0.150 0.000 1.064 324 T CA -0.819 61.404 62.100 0.205 0.000 1.008 324 T CB 0.655 69.624 68.868 0.169 0.000 1.078 324 T HN 0.126 nan 8.240 nan 0.000 0.459 325 Y N 1.916 122.235 120.300 0.032 0.000 2.346 325 Y HA 0.544 5.095 4.550 0.001 0.000 0.330 325 Y C 0.621 176.518 175.900 -0.004 0.000 1.178 325 Y CA -0.972 57.118 58.100 -0.016 0.000 1.331 325 Y CB 0.659 39.075 38.460 -0.074 0.000 1.253 325 Y HN 0.567 nan 8.280 nan 0.000 0.529 326 I N 5.198 125.829 120.570 0.103 0.000 2.420 326 I HA 0.236 4.407 4.170 0.001 0.000 0.282 326 I C -1.401 174.631 176.117 -0.141 0.000 1.019 326 I CA -0.558 60.693 61.300 -0.081 0.000 1.130 326 I CB 0.732 38.660 38.000 -0.119 0.000 1.262 326 I HN 0.265 nan 8.210 nan 0.000 0.454 327 L N 6.982 128.115 121.223 -0.151 0.000 2.296 327 L HA 0.543 4.883 4.340 0.001 0.000 0.286 327 L C -0.597 176.211 176.870 -0.103 0.000 1.023 327 L CA -0.054 54.765 54.840 -0.035 0.000 0.812 327 L CB 0.671 42.795 42.059 0.108 0.000 1.223 327 L HN 0.257 nan 8.230 nan 0.000 0.421 328 F N 1.265 121.344 119.950 0.215 0.000 2.470 328 F HA 0.667 5.195 4.527 0.001 0.000 0.329 328 F C 0.927 176.861 175.800 0.224 0.000 1.072 328 F CA -0.828 57.315 58.000 0.237 0.000 0.989 328 F CB 1.196 40.324 39.000 0.214 0.000 1.193 328 F HN 0.356 nan 8.300 nan 0.000 0.481 329 R N 1.052 121.816 120.500 0.440 0.000 2.527 329 R HA 0.414 4.755 4.340 0.001 0.000 0.236 329 R C -2.215 174.228 176.300 0.237 0.000 1.257 329 R CA -1.432 54.868 56.100 0.334 0.000 1.088 329 R CB -0.274 30.245 30.300 0.366 0.000 1.396 329 R HN 0.311 nan 8.270 nan 0.000 0.571 330 P HA 0.100 nan 4.420 nan 0.000 0.288 330 P C -1.104 176.240 177.300 0.073 0.000 1.291 330 P CA -0.146 63.000 63.100 0.077 0.000 0.766 330 P CB 0.509 32.247 31.700 0.064 0.000 1.242 331 V N -0.036 119.888 119.914 0.017 0.000 2.737 331 V HA 0.152 4.273 4.120 0.001 0.000 0.298 331 V C -0.374 175.717 176.094 -0.005 0.000 1.163 331 V CA -0.800 61.518 62.300 0.030 0.000 0.925 331 V CB 1.461 33.288 31.823 0.008 0.000 1.037 331 V HN 0.554 nan 8.190 nan 0.000 0.433 332 N N 3.994 122.698 118.700 0.007 0.000 2.332 332 N HA -0.049 4.692 4.740 0.001 0.000 0.274 332 N C 1.127 176.611 175.510 -0.043 0.000 1.351 332 N CA 0.091 53.133 53.050 -0.014 0.000 0.875 332 N CB 0.548 39.025 38.487 -0.016 0.000 1.140 332 N HN 0.611 nan 8.380 nan 0.000 0.489 333 K N 3.086 123.455 120.400 -0.052 0.000 2.057 333 K HA -0.092 4.228 4.320 0.001 0.000 0.207 333 K C 1.336 177.885 176.600 -0.085 0.000 1.049 333 K CA 0.985 57.226 56.287 -0.076 0.000 0.931 333 K CB 0.078 32.534 32.500 -0.074 0.000 0.714 333 K HN 0.587 nan 8.250 nan 0.000 0.440 334 L N 0.183 121.359 121.223 -0.079 0.000 2.642 334 L HA -0.084 4.256 4.340 0.001 0.000 0.236 334 L C 1.915 178.698 176.870 -0.145 0.000 1.169 334 L CA 1.190 55.966 54.840 -0.107 0.000 0.851 334 L CB -1.388 40.609 42.059 -0.103 0.000 0.968 334 L HN 0.157 nan 8.230 nan 0.000 0.453 335 A N -1.227 121.519 122.820 -0.123 0.000 2.095 335 A HA 0.002 4.323 4.320 0.001 0.000 0.212 335 A C 2.226 179.738 177.584 -0.119 0.000 1.162 335 A CA 0.853 52.808 52.037 -0.137 0.000 0.753 335 A CB -0.269 18.677 19.000 -0.091 0.000 0.840 335 A HN 0.345 nan 8.150 nan 0.000 0.468 336 T N 1.772 116.262 114.554 -0.106 0.000 2.555 336 T HA -0.216 4.135 4.350 0.001 0.000 0.264 336 T C 1.654 176.283 174.700 -0.119 0.000 1.083 336 T CA 2.194 64.228 62.100 -0.110 0.000 1.179 336 T CB -0.611 68.178 68.868 -0.131 0.000 0.863 336 T HN 0.670 nan 8.240 nan 0.000 0.412 337 N N 1.103 119.732 118.700 -0.120 0.000 2.289 337 N HA 0.001 4.742 4.740 0.001 0.000 0.184 337 N C 1.543 176.998 175.510 -0.093 0.000 1.016 337 N CA 0.293 53.280 53.050 -0.105 0.000 0.872 337 N CB -0.394 38.034 38.487 -0.097 0.000 0.973 337 N HN 0.106 nan 8.380 nan 0.000 0.433 338 L N 0.777 121.925 121.223 -0.125 0.000 2.056 338 L HA 0.023 4.364 4.340 0.001 0.000 0.207 338 L C 1.743 178.588 176.870 -0.041 0.000 1.078 338 L CA 1.305 56.065 54.840 -0.133 0.000 0.749 338 L CB -0.354 41.540 42.059 -0.274 0.000 0.901 338 L HN 0.216 nan 8.230 nan 0.000 0.433 339 I N -0.966 119.581 120.570 -0.039 0.000 2.202 339 I HA -0.318 3.853 4.170 0.001 0.000 0.242 339 I C 2.508 178.693 176.117 0.112 0.000 1.091 339 I CA 1.234 62.556 61.300 0.036 0.000 1.368 339 I CB -0.418 37.539 38.000 -0.071 0.000 1.058 339 I HN 0.264 nan 8.210 nan 0.000 0.410 340 K N 0.752 121.146 120.400 -0.010 0.000 2.063 340 K HA -0.238 4.083 4.320 0.001 0.000 0.208 340 K C 2.355 179.001 176.600 0.078 0.000 1.048 340 K CA 1.847 58.130 56.287 -0.007 0.000 0.928 340 K CB -0.136 32.305 32.500 -0.099 0.000 0.713 340 K HN 0.169 nan 8.250 nan 0.000 0.442 341 S N -0.997 114.726 115.700 0.039 0.000 2.387 341 S HA -0.130 4.341 4.470 0.001 0.000 0.230 341 S C 1.240 175.877 174.600 0.062 0.000 1.035 341 S CA 1.972 60.192 58.200 0.033 0.000 1.014 341 S CB -0.274 62.929 63.200 0.006 0.000 0.836 341 S HN 0.664 nan 8.310 nan 0.000 0.466 342 G N -0.749 108.129 108.800 0.129 0.000 2.198 342 G HA2 -0.146 3.814 3.960 0.001 0.000 0.156 342 G HA3 -0.146 3.814 3.960 0.001 0.000 0.156 342 G C -0.060 174.859 174.900 0.032 0.000 1.012 342 G CA -0.127 45.011 45.100 0.064 0.000 0.692 342 G HN 0.598 nan 8.290 nan 0.000 0.492 343 V N 1.842 121.819 119.914 0.104 0.000 2.599 343 V HA 0.444 4.565 4.120 0.001 0.000 0.300 343 V C 1.447 177.611 176.094 0.117 0.000 1.034 343 V CA 0.345 62.703 62.300 0.097 0.000 1.115 343 V CB 0.721 32.609 31.823 0.108 0.000 0.934 343 V HN 1.183 nan 8.190 nan 0.000 0.485 344 A N 4.804 127.663 122.820 0.065 0.000 2.507 344 A HA 0.467 4.788 4.320 0.001 0.000 0.235 344 A C 0.726 178.355 177.584 0.075 0.000 1.070 344 A CA 0.332 52.406 52.037 0.061 0.000 0.768 344 A CB -0.014 18.995 19.000 0.016 0.000 1.011 344 A HN 1.073 nan 8.150 nan 0.000 0.502 345 T N -0.008 114.587 114.554 0.068 0.000 2.859 345 T HA 0.548 4.899 4.350 0.001 0.000 0.281 345 T C -0.125 174.574 174.700 -0.001 0.000 1.005 345 T CA -0.942 61.167 62.100 0.015 0.000 1.025 345 T CB 1.052 69.898 68.868 -0.037 0.000 0.977 345 T HN 0.817 nan 8.240 nan 0.000 0.458 346 K N 1.939 122.330 120.400 -0.015 0.000 2.489 346 K HA 0.404 4.724 4.320 0.001 0.000 0.278 346 K C 0.711 177.281 176.600 -0.050 0.000 1.000 346 K CA -0.553 55.717 56.287 -0.029 0.000 1.012 346 K CB 0.120 32.599 32.500 -0.035 0.000 0.903 346 K HN 0.724 nan 8.250 nan 0.000 0.485 347 G N 2.068 110.841 108.800 -0.045 0.000 3.182 347 G HA2 0.185 4.146 3.960 0.001 0.000 0.167 347 G HA3 0.185 4.146 3.960 0.001 0.000 0.167 347 G C 0.441 175.301 174.900 -0.066 0.000 1.537 347 G CA -0.752 44.322 45.100 -0.043 0.000 1.046 347 G HN 0.571 nan 8.290 nan 0.000 0.580 348 L N 0.632 121.852 121.223 -0.005 0.000 2.664 348 L HA 0.199 4.540 4.340 0.001 0.000 0.233 348 L C 1.937 178.942 176.870 0.224 0.000 1.113 348 L CA 0.207 55.092 54.840 0.075 0.000 0.896 348 L CB 0.117 42.254 42.059 0.130 0.000 1.163 348 L HN 0.632 nan 8.230 nan 0.000 0.497 349 N N -1.220 117.515 118.700 0.058 0.000 2.336 349 N HA 0.047 4.788 4.740 0.001 0.000 0.189 349 N C -0.185 175.345 175.510 0.033 0.000 1.113 349 N CA -0.166 52.861 53.050 -0.038 0.000 0.858 349 N CB 0.659 38.843 38.487 -0.505 0.000 0.970 349 N HN -0.028 nan 8.380 nan 0.000 0.471 350 V N 1.111 121.098 119.914 0.121 0.000 2.482 350 V HA 0.170 4.291 4.120 0.001 0.000 0.295 350 V C -0.519 175.683 176.094 0.181 0.000 1.026 350 V CA -0.669 61.695 62.300 0.107 0.000 0.856 350 V CB 1.299 33.138 31.823 0.027 0.000 1.001 350 V HN 0.324 nan 8.190 nan 0.000 0.424 351 H N 2.986 122.034 119.070 -0.036 0.000 2.567 351 H HA 0.274 4.830 4.556 0.001 0.000 0.267 351 H C 1.019 176.316 175.328 -0.052 0.000 1.148 351 H CA -0.055 55.958 56.048 -0.058 0.000 1.031 351 H CB 1.500 31.214 29.762 -0.080 0.000 1.691 351 H HN 0.751 nan 8.280 nan 0.000 0.588 352 G N 1.842 110.683 108.800 0.068 0.000 2.338 352 G HA2 0.076 4.037 3.960 0.001 0.000 0.295 352 G HA3 0.076 4.037 3.960 0.001 0.000 0.295 352 G C 0.178 175.085 174.900 0.013 0.000 1.132 352 G CA -0.573 44.545 45.100 0.030 0.000 0.922 352 G HN 0.056 nan 8.290 nan 0.000 0.427 353 K N 1.841 122.247 120.400 0.011 0.000 2.448 353 K HA 0.068 4.389 4.320 0.001 0.000 0.278 353 K C 1.211 177.820 176.600 0.015 0.000 1.009 353 K CA -0.030 56.265 56.287 0.012 0.000 0.995 353 K CB 1.109 33.625 32.500 0.028 0.000 0.917 353 K HN 0.664 nan 8.250 nan 0.000 0.481 354 S N 0.923 116.629 115.700 0.009 0.000 2.626 354 S HA 0.153 4.624 4.470 0.001 0.000 0.257 354 S C 0.311 174.910 174.600 -0.002 0.000 1.288 354 S CA -0.601 57.597 58.200 -0.002 0.000 0.980 354 S CB 1.181 64.373 63.200 -0.014 0.000 0.975 354 S HN 0.478 nan 8.310 nan 0.000 0.577 355 S N -0.251 115.420 115.700 -0.048 0.000 2.509 355 S HA 0.438 4.908 4.470 0.001 0.000 0.297 355 S C -0.326 174.246 174.600 -0.047 0.000 1.118 355 S CA -0.498 57.655 58.200 -0.079 0.000 1.074 355 S CB 0.866 63.888 63.200 -0.296 0.000 1.038 355 S HN 0.809 nan 8.310 nan 0.000 0.498 356 D N 2.336 122.785 120.400 0.080 0.000 2.431 356 D HA 0.160 4.801 4.640 0.001 0.000 0.213 356 D C 0.333 176.734 176.300 0.170 0.000 1.130 356 D CA -0.309 53.745 54.000 0.089 0.000 0.834 356 D CB -0.032 40.838 40.800 0.116 0.000 0.985 356 D HN 0.575 nan 8.370 nan 0.000 0.504 357 W N 0.262 121.535 121.300 -0.047 0.000 3.040 357 W HA 0.586 5.247 4.660 0.001 0.000 0.344 357 W C 0.287 176.739 176.519 -0.113 0.000 1.201 357 W CA -0.743 56.570 57.345 -0.054 0.000 1.119 357 W CB 0.400 29.855 29.460 -0.007 0.000 1.478 357 W HN 0.175 nan 8.180 nan 0.000 0.586 358 G N 1.283 110.083 108.800 -0.000 0.000 2.907 358 G HA2 -0.262 3.699 3.960 0.001 0.000 0.242 358 G HA3 -0.262 3.699 3.960 0.001 0.000 0.242 358 G C -1.250 173.333 174.900 -0.528 0.000 1.448 358 G CA -0.067 44.751 45.100 -0.469 0.000 0.911 358 G HN 0.510 nan 8.290 nan 0.000 0.553 359 P HA -0.033 nan 4.420 nan 0.000 0.222 359 P C 1.646 178.736 177.300 -0.351 0.000 1.147 359 P CA 1.531 64.355 63.100 -0.461 0.000 0.790 359 P CB 0.098 31.494 31.700 -0.508 0.000 0.780 360 V N -0.388 119.255 119.914 -0.451 0.000 3.573 360 V HA 0.236 4.356 4.120 0.001 0.000 0.270 360 V C 0.966 176.910 176.094 -0.251 0.000 1.221 360 V CA 0.189 62.316 62.300 -0.287 0.000 1.163 360 V CB -1.426 30.173 31.823 -0.372 0.000 0.847 360 V HN 0.031 nan 8.190 nan 0.000 0.468 361 A N -0.043 122.580 122.820 -0.328 0.000 2.567 361 A HA 0.456 4.777 4.320 0.001 0.000 0.240 361 A C 1.640 179.086 177.584 -0.229 0.000 1.053 361 A CA 0.891 52.775 52.037 -0.255 0.000 0.755 361 A CB -0.562 18.322 19.000 -0.193 0.000 0.978 361 A HN 1.549 nan 8.150 nan 0.000 0.507 362 G N 1.439 110.114 108.800 -0.207 0.000 2.475 362 G HA2 -0.239 3.722 3.960 0.001 0.000 0.209 362 G HA3 -0.239 3.722 3.960 0.001 0.000 0.209 362 G C 0.335 175.075 174.900 -0.267 0.000 1.127 362 G CA 0.291 45.221 45.100 -0.284 0.000 0.681 362 G HN 0.797 nan 8.290 nan 0.000 0.517 363 Y N 0.679 120.909 120.300 -0.117 0.000 2.344 363 Y HA 0.683 5.234 4.550 0.001 0.000 0.330 363 Y C 1.171 177.009 175.900 -0.103 0.000 1.330 363 Y CA -0.692 57.346 58.100 -0.102 0.000 1.479 363 Y CB 0.733 39.124 38.460 -0.115 0.000 1.428 363 Y HN 0.108 nan 8.280 nan 0.000 0.544 364 I N 4.144 124.786 120.570 0.120 0.000 2.330 364 I HA 0.220 4.391 4.170 0.001 0.000 0.286 364 I C -2.402 173.724 176.117 0.014 0.000 1.025 364 I CA -2.271 59.051 61.300 0.037 0.000 1.197 364 I CB 1.008 39.033 38.000 0.040 0.000 1.358 364 I HN 0.183 nan 8.210 nan 0.000 0.467 365 P HA -0.052 nan 4.420 nan 0.000 0.271 365 P C 0.489 177.809 177.300 0.032 0.000 1.216 365 P CA -0.053 63.012 63.100 -0.057 0.000 0.771 365 P CB 0.913 32.514 31.700 -0.166 0.000 0.864 366 F N 3.039 122.942 119.950 -0.080 0.000 2.216 366 F HA -0.097 4.430 4.527 0.001 0.000 0.300 366 F C 0.820 176.611 175.800 -0.016 0.000 1.085 366 F CA 1.116 59.092 58.000 -0.040 0.000 1.326 366 F CB -0.176 38.800 39.000 -0.040 0.000 1.027 366 F HN 0.179 nan 8.300 nan 0.000 0.497 367 D N 1.317 121.723 120.400 0.011 0.000 2.494 367 D HA 0.022 4.663 4.640 0.001 0.000 0.217 367 D C 0.524 176.801 176.300 -0.038 0.000 1.153 367 D CA -0.051 53.922 54.000 -0.044 0.000 0.954 367 D CB 0.169 41.036 40.800 0.112 0.000 1.034 367 D HN 0.301 nan 8.370 nan 0.000 0.518 368 Q N 1.657 121.415 119.800 -0.071 0.000 2.624 368 Q HA -0.142 4.199 4.340 0.001 0.000 0.219 368 Q C 0.114 176.174 176.000 0.099 0.000 0.973 368 Q CA 0.540 56.343 55.803 0.000 0.000 0.983 368 Q CB 0.107 28.835 28.738 -0.017 0.000 0.992 368 Q HN 0.476 nan 8.270 nan 0.000 0.574 369 D N -0.499 119.984 120.400 0.139 0.000 2.363 369 D HA 0.076 4.717 4.640 0.001 0.000 0.214 369 D C 0.890 177.375 176.300 0.307 0.000 1.093 369 D CA 0.113 54.288 54.000 0.292 0.000 0.837 369 D CB 0.275 41.296 40.800 0.368 0.000 0.948 369 D HN 0.195 nan 8.370 nan 0.000 0.507 370 L N -0.346 120.938 121.223 0.101 0.000 2.766 370 L HA 0.230 4.571 4.340 0.001 0.000 0.242 370 L C 1.007 177.779 176.870 -0.163 0.000 1.136 370 L CA -0.155 54.599 54.840 -0.144 0.000 0.933 370 L CB 0.361 42.138 42.059 -0.471 0.000 1.241 370 L HN -0.026 nan 8.230 nan 0.000 0.522 371 S N -0.422 115.353 115.700 0.126 0.000 2.713 371 S HA 0.153 4.624 4.470 0.001 0.000 0.277 371 S C 1.169 176.021 174.600 0.420 0.000 1.168 371 S CA -0.597 57.686 58.200 0.139 0.000 0.994 371 S CB 1.066 64.312 63.200 0.078 0.000 1.054 371 S HN 0.317 nan 8.310 nan 0.000 0.555 372 K N 0.030 120.610 120.400 0.300 0.000 2.442 372 K HA -0.028 4.293 4.320 0.001 0.000 0.199 372 K C 1.188 177.920 176.600 0.220 0.000 1.044 372 K CA 0.902 57.369 56.287 0.300 0.000 0.941 372 K CB -0.148 32.458 32.500 0.178 0.000 0.759 372 K HN 0.280 nan 8.250 nan 0.000 0.472 373 K N 1.188 121.711 120.400 0.206 0.000 2.400 373 K HA -0.053 4.268 4.320 0.001 0.000 0.194 373 K C -0.183 176.513 176.600 0.159 0.000 1.033 373 K CA 0.095 56.465 56.287 0.139 0.000 1.021 373 K CB -0.429 32.132 32.500 0.102 0.000 0.808 373 K HN 0.367 nan 8.250 nan 0.000 0.505 374 H N 0.568 119.746 119.070 0.181 0.000 3.156 374 H HA -0.109 4.448 4.556 0.001 0.000 0.213 374 H C 0.975 176.339 175.328 0.059 0.000 0.718 374 H CA 1.376 57.529 56.048 0.175 0.000 1.408 374 H CB -0.690 29.192 29.762 0.199 0.000 1.459 374 H HN 0.462 nan 8.280 nan 0.000 0.464 375 G N 3.415 112.112 108.800 -0.173 0.000 3.736 375 G HA2 -0.190 3.770 3.960 0.001 0.000 0.196 375 G HA3 -0.190 3.770 3.960 0.001 0.000 0.196 375 G C -0.296 174.554 174.900 -0.084 0.000 1.811 375 G CA -0.222 44.723 45.100 -0.259 0.000 1.175 375 G HN 0.615 nan 8.290 nan 0.000 0.429 376 Q N 1.730 121.504 119.800 -0.043 0.000 2.244 376 Q HA 0.450 4.791 4.340 0.001 0.000 0.278 376 Q C 1.310 177.318 176.000 0.014 0.000 1.093 376 Q CA 0.618 56.414 55.803 -0.011 0.000 0.916 376 Q CB 1.462 30.201 28.738 0.001 0.000 1.159 376 Q HN 0.668 nan 8.270 nan 0.000 0.384 377 Q N 2.761 122.569 119.800 0.014 0.000 1.993 377 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 377 Q C 1.256 177.274 176.000 0.029 0.000 0.984 377 Q CA 1.241 57.061 55.803 0.029 0.000 0.837 377 Q CB -0.005 28.748 28.738 0.025 0.000 0.902 377 Q HN 0.691 nan 8.270 nan 0.000 0.423 378 L N 0.657 121.894 121.223 0.023 0.000 2.189 378 L HA -0.149 4.192 4.340 0.001 0.000 0.214 378 L C 2.167 179.051 176.870 0.023 0.000 1.097 378 L CA 1.979 56.833 54.840 0.023 0.000 0.764 378 L CB -1.042 41.031 42.059 0.023 0.000 0.900 378 L HN 0.399 nan 8.230 nan 0.000 0.436 379 A N -1.454 121.382 122.820 0.026 0.000 1.840 379 A HA -0.112 4.208 4.320 0.001 0.000 0.214 379 A C 2.238 179.839 177.584 0.028 0.000 1.198 379 A CA 1.720 53.773 52.037 0.027 0.000 0.608 379 A CB -0.921 18.098 19.000 0.032 0.000 0.839 379 A HN 0.194 nan 8.150 nan 0.000 0.443 380 V N 0.216 120.156 119.914 0.044 0.000 2.332 380 V HA -0.291 3.829 4.120 0.001 0.000 0.248 380 V C 2.429 178.536 176.094 0.023 0.000 1.055 380 V CA 2.317 64.648 62.300 0.053 0.000 1.038 380 V CB -0.981 30.897 31.823 0.092 0.000 0.651 380 V HN 0.669 nan 8.190 nan 0.000 0.450 381 E N 0.113 120.327 120.200 0.023 0.000 2.085 381 E HA -0.285 4.066 4.350 0.001 0.000 0.194 381 E C 2.340 178.933 176.600 -0.011 0.000 0.994 381 E CA 1.563 57.968 56.400 0.008 0.000 0.801 381 E CB -0.074 29.636 29.700 0.016 0.000 0.743 381 E HN 0.569 nan 8.360 nan 0.000 0.453 382 K N -0.475 119.920 120.400 -0.008 0.000 2.155 382 K HA -0.068 4.253 4.320 0.001 0.000 0.203 382 K C 2.020 178.597 176.600 -0.039 0.000 1.052 382 K CA 0.936 57.209 56.287 -0.024 0.000 0.948 382 K CB -0.090 32.398 32.500 -0.020 0.000 0.728 382 K HN 0.157 nan 8.250 nan 0.000 0.448 383 G N 1.454 110.237 108.800 -0.029 0.000 2.459 383 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 383 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 383 G C 1.166 176.017 174.900 -0.081 0.000 1.183 383 G CA 0.997 46.076 45.100 -0.036 0.000 0.776 383 G HN 0.293 nan 8.290 nan 0.000 0.552 384 N N 0.697 119.330 118.700 -0.112 0.000 2.004 384 N HA -0.132 4.608 4.740 0.001 0.000 0.196 384 N C 2.044 177.463 175.510 -0.152 0.000 1.064 384 N CA 1.218 54.145 53.050 -0.206 0.000 0.855 384 N CB -1.183 37.192 38.487 -0.186 0.000 1.056 384 N HN 0.216 nan 8.380 nan 0.000 0.423 385 L N 1.822 122.990 121.223 -0.091 0.000 2.082 385 L HA -0.260 4.081 4.340 0.001 0.000 0.223 385 L C 1.977 178.813 176.870 -0.057 0.000 1.086 385 L CA 1.935 56.739 54.840 -0.060 0.000 0.793 385 L CB -0.692 41.342 42.059 -0.042 0.000 0.896 385 L HN 0.173 nan 8.230 nan 0.000 0.441 386 E N -0.349 119.811 120.200 -0.065 0.000 2.118 386 E HA -0.192 4.159 4.350 0.001 0.000 0.195 386 E C 2.050 178.638 176.600 -0.021 0.000 0.992 386 E CA 1.235 57.598 56.400 -0.061 0.000 0.804 386 E CB -0.394 29.274 29.700 -0.052 0.000 0.741 386 E HN 0.624 nan 8.360 nan 0.000 0.458 387 N N 0.559 119.238 118.700 -0.035 0.000 2.300 387 N HA -0.063 4.678 4.740 0.001 0.000 0.179 387 N C 1.634 177.203 175.510 0.099 0.000 1.016 387 N CA 0.685 53.748 53.050 0.021 0.000 0.876 387 N CB -0.028 38.407 38.487 -0.086 0.000 0.979 387 N HN 0.169 nan 8.380 nan 0.000 0.432 388 K N 0.977 121.396 120.400 0.032 0.000 2.057 388 K HA -0.004 4.317 4.320 0.001 0.000 0.206 388 K C 1.830 178.479 176.600 0.081 0.000 1.050 388 K CA 0.912 57.260 56.287 0.102 0.000 0.935 388 K CB 0.053 32.577 32.500 0.040 0.000 0.715 388 K HN 0.114 nan 8.250 nan 0.000 0.439 389 K N 0.472 120.894 120.400 0.037 0.000 2.147 389 K HA -0.068 4.253 4.320 0.001 0.000 0.205 389 K C 2.214 178.861 176.600 0.079 0.000 1.049 389 K CA 1.204 57.505 56.287 0.023 0.000 0.936 389 K CB 0.030 32.520 32.500 -0.017 0.000 0.722 389 K HN 0.031 nan 8.250 nan 0.000 0.446 390 S N 1.198 116.972 115.700 0.124 0.000 2.345 390 S HA -0.113 4.358 4.470 0.001 0.000 0.220 390 S C 1.925 176.641 174.600 0.193 0.000 1.031 390 S CA 1.051 59.374 58.200 0.206 0.000 0.996 390 S CB -0.146 63.139 63.200 0.142 0.000 0.882 390 S HN 0.107 nan 8.310 nan 0.000 0.445 391 I N 2.054 122.714 120.570 0.149 0.000 2.226 391 I HA -0.155 4.016 4.170 0.001 0.000 0.245 391 I C 2.701 178.865 176.117 0.079 0.000 1.100 391 I CA 1.580 62.946 61.300 0.110 0.000 1.374 391 I CB -0.979 37.084 38.000 0.106 0.000 1.057 391 I HN 0.454 nan 8.210 nan 0.000 0.413 392 T N -2.500 112.093 114.554 0.064 0.000 2.814 392 T HA -0.023 4.328 4.350 0.001 0.000 0.254 392 T C 1.676 176.362 174.700 -0.023 0.000 1.037 392 T CA 0.570 62.683 62.100 0.022 0.000 1.143 392 T CB -0.635 68.242 68.868 0.016 0.000 0.866 392 T HN 0.308 nan 8.240 nan 0.000 0.431 393 E N 0.773 120.932 120.200 -0.069 0.000 2.463 393 E HA -0.102 4.249 4.350 0.001 0.000 0.201 393 E C 0.780 177.117 176.600 -0.438 0.000 1.045 393 E CA 0.660 56.919 56.400 -0.235 0.000 0.872 393 E CB -0.056 29.472 29.700 -0.288 0.000 0.797 393 E HN 0.662 nan 8.360 nan 0.000 0.538 394 H N -0.289 118.786 119.070 0.007 0.000 2.885 394 H HA 0.084 4.641 4.556 0.001 0.000 0.254 394 H C -0.262 175.068 175.328 0.004 0.000 1.185 394 H CA -0.222 55.830 56.048 0.007 0.000 1.029 394 H CB 0.100 29.869 29.762 0.012 0.000 1.743 394 H HN 0.197 nan 8.280 nan 0.000 0.632 395 E N 1.018 121.261 120.200 0.071 0.000 3.131 395 E HA -0.063 4.288 4.350 0.001 0.000 0.258 395 E C 1.097 177.725 176.600 0.047 0.000 0.901 395 E CA 1.413 57.840 56.400 0.044 0.000 0.964 395 E CB 0.169 29.878 29.700 0.015 0.000 0.903 395 E HN 0.672 nan 8.360 nan 0.000 0.537 396 G N 4.220 113.041 108.800 0.035 0.000 3.211 396 G HA2 -0.383 3.578 3.960 0.001 0.000 0.206 396 G HA3 -0.383 3.578 3.960 0.001 0.000 0.206 396 G C 0.950 175.866 174.900 0.025 0.000 1.418 396 G CA 0.419 45.534 45.100 0.025 0.000 0.958 396 G HN 0.622 nan 8.290 nan 0.000 0.567 397 E N 0.496 120.724 120.200 0.046 0.000 2.046 397 E HA 0.127 4.478 4.350 0.001 0.000 0.190 397 E C 0.968 177.568 176.600 -0.001 0.000 0.982 397 E CA 1.142 57.553 56.400 0.019 0.000 0.800 397 E CB -0.019 29.693 29.700 0.020 0.000 0.756 397 E HN 0.443 nan 8.360 nan 0.000 0.449 398 I N -0.091 120.494 120.570 0.025 0.000 2.603 398 I HA 0.599 4.769 4.170 0.001 0.000 0.300 398 I C 0.711 176.840 176.117 0.020 0.000 1.017 398 I CA -0.397 60.912 61.300 0.014 0.000 1.098 398 I CB 1.063 39.075 38.000 0.021 0.000 1.279 398 I HN 0.238 nan 8.210 nan 0.000 0.437 399 G N 4.817 113.613 108.800 -0.005 0.000 2.793 399 G HA2 0.671 4.631 3.960 0.001 0.000 0.248 399 G HA3 0.671 4.631 3.960 0.001 0.000 0.248 399 G C -1.440 173.422 174.900 -0.064 0.000 1.198 399 G CA -0.572 44.508 45.100 -0.034 0.000 0.865 399 G HN 0.632 nan 8.290 nan 0.000 0.534 400 K N -0.797 119.535 120.400 -0.112 0.000 2.557 400 K HA 0.628 4.949 4.320 0.001 0.000 0.261 400 K C -1.009 175.502 176.600 -0.148 0.000 0.932 400 K CA -0.839 55.359 56.287 -0.148 0.000 0.829 400 K CB 2.080 34.419 32.500 -0.268 0.000 1.358 400 K HN 0.912 nan 8.250 nan 0.000 0.430 401 I N -2.323 118.161 120.570 -0.144 0.000 3.067 401 I HA 0.653 4.823 4.170 0.001 0.000 0.312 401 I C -2.862 173.168 176.117 -0.146 0.000 1.073 401 I CA -3.088 58.130 61.300 -0.137 0.000 1.016 401 I CB 2.237 40.154 38.000 -0.138 0.000 1.227 401 I HN 0.345 nan 8.210 nan 0.000 0.456 402 P HA 0.270 nan 4.420 nan 0.000 0.281 402 P C -0.919 176.292 177.300 -0.148 0.000 1.249 402 P CA -0.444 62.591 63.100 -0.108 0.000 0.810 402 P CB 0.860 32.521 31.700 -0.065 0.000 1.008 403 L N 3.417 124.551 121.223 -0.149 0.000 2.418 403 L HA 0.191 4.532 4.340 0.001 0.000 0.274 403 L C -0.238 176.551 176.870 -0.135 0.000 1.135 403 L CA 0.762 55.487 54.840 -0.192 0.000 0.870 403 L CB -0.615 41.339 42.059 -0.175 0.000 1.154 403 L HN 0.206 nan 8.230 nan 0.000 0.462 404 K N 6.922 127.230 120.400 -0.153 0.000 2.507 404 K HA 0.432 4.753 4.320 0.001 0.000 0.253 404 K C -1.278 175.272 176.600 -0.083 0.000 0.969 404 K CA -0.495 55.731 56.287 -0.103 0.000 0.908 404 K CB 1.262 33.703 32.500 -0.098 0.000 1.127 404 K HN 0.576 nan 8.250 nan 0.000 0.437 405 L N 4.376 125.552 121.223 -0.078 0.000 2.264 405 L HA 0.245 4.586 4.340 0.001 0.000 0.289 405 L C 0.334 177.114 176.870 -0.150 0.000 1.044 405 L CA -0.689 54.107 54.840 -0.074 0.000 0.807 405 L CB 0.793 42.808 42.059 -0.074 0.000 1.192 405 L HN 0.667 nan 8.230 nan 0.000 0.425 406 D N 1.636 121.929 120.400 -0.178 0.000 2.277 406 D HA 0.085 4.726 4.640 0.001 0.000 0.250 406 D C 0.943 177.051 176.300 -0.320 0.000 1.032 406 D CA -0.575 53.203 54.000 -0.369 0.000 0.947 406 D CB 0.817 41.445 40.800 -0.288 0.000 1.159 406 D HN 0.505 nan 8.370 nan 0.000 0.460 407 H N 0.361 119.412 119.070 -0.032 0.000 2.505 407 H HA -0.164 4.393 4.556 0.001 0.000 0.295 407 H C 1.673 176.977 175.328 -0.040 0.000 1.121 407 H CA 0.752 56.775 56.048 -0.043 0.000 1.217 407 H CB 0.019 29.757 29.762 -0.042 0.000 1.357 407 H HN 0.377 nan 8.280 nan 0.000 0.533 408 L N 0.223 121.458 121.223 0.020 0.000 2.298 408 L HA -0.002 4.339 4.340 0.001 0.000 0.209 408 L C 2.630 179.483 176.870 -0.028 0.000 1.084 408 L CA 0.339 55.183 54.840 0.007 0.000 0.816 408 L CB 0.136 42.203 42.059 0.013 0.000 0.967 408 L HN 0.011 nan 8.230 nan 0.000 0.460 409 R N 0.172 120.642 120.500 -0.051 0.000 2.173 409 R HA 0.006 4.347 4.340 0.001 0.000 0.208 409 R C 1.921 178.182 176.300 -0.066 0.000 1.035 409 R CA 1.083 57.147 56.100 -0.059 0.000 1.004 409 R CB -0.333 29.936 30.300 -0.052 0.000 0.917 409 R HN 0.196 nan 8.270 nan 0.000 0.462 410 I N 0.769 121.300 120.570 -0.065 0.000 2.179 410 I HA -0.218 3.953 4.170 0.001 0.000 0.242 410 I C 1.946 178.033 176.117 -0.050 0.000 1.088 410 I CA 1.430 62.693 61.300 -0.062 0.000 1.357 410 I CB -0.957 37.009 38.000 -0.057 0.000 1.051 410 I HN 0.243 nan 8.210 nan 0.000 0.409 411 E N 1.456 121.633 120.200 -0.038 0.000 2.012 411 E HA -0.230 4.121 4.350 0.001 0.000 0.197 411 E C 2.075 178.652 176.600 -0.039 0.000 1.007 411 E CA 1.689 58.071 56.400 -0.032 0.000 0.816 411 E CB -0.143 29.545 29.700 -0.021 0.000 0.762 411 E HN 0.375 nan 8.360 nan 0.000 0.451 412 E N -0.011 120.162 120.200 -0.046 0.000 2.068 412 E HA -0.266 4.085 4.350 0.001 0.000 0.207 412 E C 2.289 178.853 176.600 -0.060 0.000 1.032 412 E CA 1.664 58.031 56.400 -0.055 0.000 0.839 412 E CB -0.425 29.234 29.700 -0.068 0.000 0.758 412 E HN 0.314 nan 8.360 nan 0.000 0.457 413 L N 0.704 121.885 121.223 -0.068 0.000 2.079 413 L HA -0.216 4.125 4.340 0.001 0.000 0.210 413 L C 2.701 179.540 176.870 -0.050 0.000 1.081 413 L CA 1.237 56.034 54.840 -0.071 0.000 0.752 413 L CB -0.442 41.563 42.059 -0.089 0.000 0.896 413 L HN 0.126 nan 8.230 nan 0.000 0.433 414 K N 0.298 120.673 120.400 -0.043 0.000 2.057 414 K HA -0.261 4.060 4.320 0.001 0.000 0.207 414 K C 2.092 178.677 176.600 -0.024 0.000 1.049 414 K CA 1.698 57.968 56.287 -0.029 0.000 0.931 414 K CB 0.075 32.559 32.500 -0.026 0.000 0.714 414 K HN 0.058 nan 8.250 nan 0.000 0.440 415 E N 1.247 121.430 120.200 -0.028 0.000 2.047 415 E HA -0.147 4.204 4.350 0.001 0.000 0.191 415 E C 1.045 177.631 176.600 -0.024 0.000 0.987 415 E CA 1.850 58.235 56.400 -0.025 0.000 0.799 415 E CB -0.233 29.449 29.700 -0.029 0.000 0.752 415 E HN 0.416 nan 8.360 nan 0.000 0.449 416 N N -0.100 118.582 118.700 -0.031 0.000 2.609 416 N HA 0.067 4.808 4.740 0.001 0.000 0.190 416 N C 0.296 175.797 175.510 -0.015 0.000 1.157 416 N CA 0.594 53.627 53.050 -0.028 0.000 0.918 416 N CB 0.069 38.533 38.487 -0.038 0.000 0.978 416 N HN 0.275 nan 8.380 nan 0.000 0.448 417 G N 0.948 109.740 108.800 -0.013 0.000 2.370 417 G HA2 -0.230 3.731 3.960 0.001 0.000 0.293 417 G HA3 -0.230 3.731 3.960 0.001 0.000 0.293 417 G C 0.535 175.439 174.900 0.007 0.000 0.992 417 G CA -0.039 45.061 45.100 -0.001 0.000 1.247 417 G HN 0.244 nan 8.290 nan 0.000 0.505 418 I N -0.284 120.283 120.570 -0.004 0.000 3.194 418 I HA 0.309 4.480 4.170 0.001 0.000 0.271 418 I C 1.362 177.478 176.117 -0.003 0.000 1.150 418 I CA 1.304 62.605 61.300 0.002 0.000 1.440 418 I CB -0.283 37.696 38.000 -0.035 0.000 1.276 418 I HN 0.582 nan 8.210 nan 0.000 0.457 419 I N -1.128 119.424 120.570 -0.031 0.000 2.841 419 I HA 0.509 4.680 4.170 0.001 0.000 0.298 419 I C -1.395 174.711 176.117 -0.019 0.000 1.304 419 I CA -0.667 60.612 61.300 -0.036 0.000 1.019 419 I CB 2.370 40.298 38.000 -0.120 0.000 1.282 419 I HN -0.227 nan 8.210 nan 0.000 0.432 420 L N 3.196 124.425 121.223 0.009 0.000 2.362 420 L HA 0.586 4.927 4.340 0.001 0.000 0.271 420 L C -0.302 176.585 176.870 0.028 0.000 1.002 420 L CA -1.011 53.837 54.840 0.014 0.000 0.818 420 L CB 1.989 44.065 42.059 0.028 0.000 1.298 420 L HN 0.588 nan 8.230 nan 0.000 0.420 421 K N 1.458 121.865 120.400 0.011 0.000 2.378 421 K HA 0.377 4.697 4.320 0.001 0.000 0.288 421 K C 0.203 176.839 176.600 0.060 0.000 1.057 421 K CA 0.142 56.439 56.287 0.018 0.000 0.971 421 K CB 0.795 33.261 32.500 -0.056 0.000 0.975 421 K HN 0.658 nan 8.250 nan 0.000 0.475 422 G N 3.467 112.344 108.800 0.130 0.000 2.945 422 G HA2 0.178 4.139 3.960 0.001 0.000 0.156 422 G HA3 0.178 4.139 3.960 0.001 0.000 0.156 422 G C -0.629 174.412 174.900 0.236 0.000 1.375 422 G CA -0.535 44.658 45.100 0.156 0.000 1.039 422 G HN 0.741 nan 8.290 nan 0.000 0.586 423 K N -0.374 120.150 120.400 0.206 0.000 2.170 423 K HA 0.197 4.518 4.320 0.001 0.000 0.241 423 K C -0.084 176.663 176.600 0.245 0.000 1.071 423 K CA -0.037 56.373 56.287 0.204 0.000 0.822 423 K CB 0.404 32.983 32.500 0.132 0.000 1.097 423 K HN 0.309 nan 8.250 nan 0.000 0.522 424 K N 0.749 121.211 120.400 0.104 0.000 2.367 424 K HA 0.095 4.416 4.320 0.001 0.000 0.263 424 K C -1.289 175.276 176.600 -0.057 0.000 1.000 424 K CA -0.424 55.781 56.287 -0.137 0.000 0.891 424 K CB 1.214 33.654 32.500 -0.100 0.000 1.117 424 K HN 0.678 nan 8.250 nan 0.000 0.443 425 E N 5.053 125.232 120.200 -0.035 0.000 2.207 425 E HA 0.372 4.723 4.350 0.001 0.000 0.270 425 E C -1.076 175.577 176.600 0.088 0.000 0.927 425 E CA -0.814 55.632 56.400 0.078 0.000 0.799 425 E CB 1.163 30.987 29.700 0.205 0.000 1.172 425 E HN 0.570 nan 8.360 nan 0.000 0.404 426 I N 3.324 123.933 120.570 0.064 0.000 2.468 426 I HA 0.254 4.425 4.170 0.001 0.000 0.285 426 I C -1.061 175.068 176.117 0.019 0.000 1.039 426 I CA -0.749 60.589 61.300 0.063 0.000 1.074 426 I CB 1.745 39.754 38.000 0.014 0.000 1.228 426 I HN 0.397 nan 8.210 nan 0.000 0.436 427 D N 6.110 126.537 120.400 0.045 0.000 2.549 427 D HA 0.227 4.868 4.640 0.001 0.000 0.251 427 D C -0.183 176.104 176.300 -0.022 0.000 1.153 427 D CA -0.476 53.461 54.000 -0.106 0.000 0.861 427 D CB 1.077 41.614 40.800 -0.437 0.000 1.207 427 D HN 0.486 nan 8.370 nan 0.000 0.543 428 N N 3.002 121.674 118.700 -0.047 0.000 2.667 428 N HA -0.204 4.537 4.740 0.001 0.000 0.263 428 N C 0.984 176.506 175.510 0.019 0.000 1.038 428 N CA 1.613 54.651 53.050 -0.019 0.000 0.749 428 N CB -0.837 37.632 38.487 -0.030 0.000 0.892 428 N HN 0.818 nan 8.380 nan 0.000 0.546 429 G N -1.027 107.783 108.800 0.016 0.000 2.189 429 G HA2 -0.345 3.616 3.960 0.001 0.000 0.267 429 G HA3 -0.345 3.616 3.960 0.001 0.000 0.267 429 G C -0.048 174.866 174.900 0.023 0.000 0.975 429 G CA 1.005 46.115 45.100 0.017 0.000 0.644 429 G HN 0.465 nan 8.290 nan 0.000 0.537 430 K N 0.023 120.458 120.400 0.057 0.000 2.318 430 K HA 0.568 4.889 4.320 0.001 0.000 0.249 430 K C -0.146 176.464 176.600 0.016 0.000 0.942 430 K CA -0.887 55.408 56.287 0.014 0.000 0.808 430 K CB 2.186 34.709 32.500 0.038 0.000 1.189 430 K HN 0.304 nan 8.250 nan 0.000 0.428 431 K N 1.766 122.088 120.400 -0.132 0.000 2.110 431 K HA 0.429 4.750 4.320 0.001 0.000 0.263 431 K C -1.099 175.323 176.600 -0.296 0.000 0.975 431 K CA -0.292 55.921 56.287 -0.122 0.000 0.895 431 K CB 0.709 33.117 32.500 -0.153 0.000 1.060 431 K HN 0.415 nan 8.250 nan 0.000 0.448 432 Y N 1.143 121.398 120.300 -0.074 0.000 2.638 432 Y HA 0.389 4.940 4.550 0.001 0.000 0.339 432 Y C -1.298 174.466 175.900 -0.226 0.000 1.084 432 Y CA -0.719 57.387 58.100 0.010 0.000 1.068 432 Y CB 1.713 40.331 38.460 0.263 0.000 1.294 432 Y HN 0.420 nan 8.280 nan 0.000 0.480 433 Y N 1.099 121.570 120.300 0.285 0.000 2.327 433 Y HA 0.382 4.933 4.550 0.001 0.000 0.325 433 Y C -0.908 175.091 175.900 0.165 0.000 0.999 433 Y CA -0.844 57.366 58.100 0.183 0.000 1.195 433 Y CB 1.373 39.904 38.460 0.118 0.000 1.132 433 Y HN 0.365 nan 8.280 nan 0.000 0.455 434 L N 4.919 126.306 121.223 0.273 0.000 2.654 434 L HA 0.002 4.343 4.340 0.001 0.000 0.271 434 L C -0.363 176.625 176.870 0.196 0.000 1.169 434 L CA 0.801 55.763 54.840 0.204 0.000 0.947 434 L CB -0.152 42.015 42.059 0.181 0.000 1.232 434 L HN 0.518 nan 8.230 nan 0.000 0.486 435 L N 5.295 126.626 121.223 0.181 0.000 2.369 435 L HA 0.187 4.527 4.340 0.001 0.000 0.279 435 L C 0.472 177.450 176.870 0.180 0.000 1.108 435 L CA -0.500 54.420 54.840 0.133 0.000 0.852 435 L CB 0.340 42.426 42.059 0.046 0.000 1.169 435 L HN 0.509 nan 8.230 nan 0.000 0.452 436 E N 2.671 122.951 120.200 0.134 0.000 2.343 436 E HA 0.396 4.747 4.350 0.001 0.000 0.269 436 E C -0.306 176.381 176.600 0.146 0.000 1.047 436 E CA -0.086 56.406 56.400 0.153 0.000 0.874 436 E CB 1.837 31.603 29.700 0.111 0.000 1.033 436 E HN 0.606 nan 8.360 nan 0.000 0.409 437 S N 0.956 116.782 115.700 0.210 0.000 2.535 437 S HA 0.170 4.641 4.470 0.001 0.000 0.272 437 S C 0.289 175.015 174.600 0.210 0.000 1.149 437 S CA -0.986 57.348 58.200 0.222 0.000 0.888 437 S CB 0.769 64.181 63.200 0.354 0.000 1.110 437 S HN 0.483 nan 8.310 nan 0.000 0.463 438 N N 2.234 121.030 118.700 0.159 0.000 2.627 438 N HA -0.105 4.636 4.740 0.001 0.000 0.196 438 N C 0.015 175.588 175.510 0.105 0.000 1.268 438 N CA 0.076 53.191 53.050 0.109 0.000 0.904 438 N CB -0.681 37.850 38.487 0.074 0.000 1.016 438 N HN 0.758 nan 8.380 nan 0.000 0.448 439 N N 1.084 119.890 118.700 0.178 0.000 2.529 439 N HA -0.047 4.693 4.740 0.001 0.000 0.278 439 N C 0.714 176.291 175.510 0.112 0.000 1.146 439 N CA -0.319 52.815 53.050 0.141 0.000 0.980 439 N CB 0.612 39.279 38.487 0.300 0.000 1.124 439 N HN 0.186 nan 8.380 nan 0.000 0.458 440 Q N 3.496 123.336 119.800 0.066 0.000 2.220 440 Q HA 0.078 4.419 4.340 0.001 0.000 0.205 440 Q C -0.191 175.806 176.000 -0.006 0.000 0.865 440 Q CA 0.356 56.178 55.803 0.031 0.000 0.960 440 Q CB 0.402 29.148 28.738 0.012 0.000 1.097 440 Q HN 0.514 nan 8.270 nan 0.000 0.493 441 V N -0.829 119.084 119.914 -0.001 0.000 3.251 441 V HA 0.248 4.369 4.120 0.001 0.000 0.239 441 V C -0.033 175.789 176.094 -0.453 0.000 1.332 441 V CA 0.326 62.504 62.300 -0.204 0.000 1.224 441 V CB 0.115 31.833 31.823 -0.174 0.000 1.004 441 V HN 0.140 nan 8.190 nan 0.000 0.464 442 Y N 0.067 120.320 120.300 -0.079 0.000 2.621 442 Y HA 0.722 5.273 4.550 0.001 0.000 0.334 442 Y C 0.158 175.790 175.900 -0.446 0.000 1.074 442 Y CA -1.104 56.830 58.100 -0.276 0.000 1.149 442 Y CB 1.247 39.517 38.460 -0.317 0.000 1.302 442 Y HN -0.012 nan 8.280 nan 0.000 0.501 443 E N 0.942 120.880 120.200 -0.436 0.000 2.293 443 E HA 0.532 4.883 4.350 0.001 0.000 0.270 443 E C -1.801 174.481 176.600 -0.530 0.000 0.879 443 E CA -0.638 55.546 56.400 -0.360 0.000 0.756 443 E CB 2.138 31.765 29.700 -0.122 0.000 1.208 443 E HN 0.384 nan 8.360 nan 0.000 0.428 444 F N 0.977 120.933 119.950 0.010 0.000 2.640 444 F HA 0.644 5.172 4.527 0.001 0.000 0.324 444 F C 0.224 175.932 175.800 -0.153 0.000 1.077 444 F CA -1.078 56.874 58.000 -0.080 0.000 0.965 444 F CB 1.210 40.191 39.000 -0.032 0.000 1.351 444 F HN 0.282 nan 8.300 nan 0.000 0.487 445 R N 0.767 121.274 120.500 0.011 0.000 2.733 445 R HA 0.742 5.083 4.340 0.001 0.000 0.272 445 R C -2.069 174.298 176.300 0.112 0.000 1.029 445 R CA -0.710 55.397 56.100 0.012 0.000 0.888 445 R CB 2.154 32.335 30.300 -0.198 0.000 1.251 445 R HN 0.869 nan 8.270 nan 0.000 0.464 446 I N 0.480 121.200 120.570 0.250 0.000 2.647 446 I HA 0.374 4.545 4.170 0.001 0.000 0.295 446 I C -0.363 175.911 176.117 0.261 0.000 1.078 446 I CA -0.557 60.876 61.300 0.220 0.000 1.048 446 I CB 2.403 40.487 38.000 0.140 0.000 1.239 446 I HN 0.886 nan 8.210 nan 0.000 0.421 447 S N 3.405 119.165 115.700 0.100 0.000 2.562 447 S HA 0.199 4.670 4.470 0.001 0.000 0.275 447 S C 0.422 174.982 174.600 -0.067 0.000 1.281 447 S CA -0.432 57.635 58.200 -0.222 0.000 1.045 447 S CB 1.463 64.535 63.200 -0.213 0.000 0.962 447 S HN 0.753 nan 8.310 nan 0.000 0.503 448 D N 1.397 121.742 120.400 -0.092 0.000 2.348 448 D HA 0.004 4.645 4.640 0.001 0.000 0.216 448 D C 1.442 177.754 176.300 0.020 0.000 0.970 448 D CA 0.846 54.886 54.000 0.067 0.000 0.889 448 D CB 0.221 41.079 40.800 0.097 0.000 0.912 448 D HN 0.693 nan 8.370 nan 0.000 0.524 449 E N 0.112 120.282 120.200 -0.050 0.000 2.025 449 E HA -0.065 4.286 4.350 0.001 0.000 0.198 449 E C 1.536 178.135 176.600 -0.003 0.000 0.955 449 E CA 0.728 57.112 56.400 -0.026 0.000 0.862 449 E CB -0.197 29.474 29.700 -0.049 0.000 0.837 449 E HN 0.325 nan 8.360 nan 0.000 0.488 450 N N 0.587 119.278 118.700 -0.014 0.000 2.412 450 N HA -0.046 4.694 4.740 0.001 0.000 0.184 450 N C -0.016 175.485 175.510 -0.015 0.000 1.101 450 N CA 0.318 53.365 53.050 -0.006 0.000 0.881 450 N CB 0.003 38.487 38.487 -0.004 0.000 0.969 450 N HN 0.123 nan 8.380 nan 0.000 0.459 451 N N -0.195 118.498 118.700 -0.012 0.000 2.829 451 N HA -0.157 4.583 4.740 0.001 0.000 0.250 451 N C -1.386 174.113 175.510 -0.018 0.000 1.090 451 N CA 0.650 53.684 53.050 -0.026 0.000 0.781 451 N CB -1.359 37.076 38.487 -0.086 0.000 1.124 451 N HN 0.653 nan 8.380 nan 0.000 0.559 452 E N 0.498 120.706 120.200 0.014 0.000 2.259 452 E HA 0.390 4.741 4.350 0.001 0.000 0.281 452 E C 0.199 176.839 176.600 0.066 0.000 1.027 452 E CA -0.507 55.907 56.400 0.023 0.000 0.838 452 E CB 1.658 31.381 29.700 0.039 0.000 1.066 452 E HN -0.051 nan 8.360 nan 0.000 0.401 453 V N 3.224 123.153 119.914 0.025 0.000 2.649 453 V HA 0.118 4.239 4.120 0.001 0.000 0.292 453 V C 0.169 176.301 176.094 0.063 0.000 1.055 453 V CA -0.163 62.159 62.300 0.037 0.000 1.023 453 V CB 1.235 33.040 31.823 -0.030 0.000 0.992 453 V HN 0.708 nan 8.190 nan 0.000 0.480 454 Q N 2.054 121.882 119.800 0.048 0.000 2.496 454 Q HA 0.747 5.088 4.340 0.001 0.000 0.286 454 Q C -1.606 174.463 176.000 0.116 0.000 1.103 454 Q CA -0.753 55.081 55.803 0.053 0.000 0.813 454 Q CB 3.058 31.702 28.738 -0.157 0.000 1.444 454 Q HN 0.823 nan 8.270 nan 0.000 0.443 455 Y N -1.815 118.402 120.300 -0.137 0.000 2.604 455 Y HA 0.657 5.207 4.550 0.001 0.000 0.331 455 Y C -1.777 174.139 175.900 0.026 0.000 1.158 455 Y CA -1.245 56.764 58.100 -0.151 0.000 1.056 455 Y CB 1.251 39.677 38.460 -0.056 0.000 1.330 455 Y HN 0.585 nan 8.280 nan 0.000 0.457 456 K N 0.161 120.448 120.400 -0.188 0.000 2.509 456 K HA 0.669 4.990 4.320 0.001 0.000 0.266 456 K C -1.359 175.045 176.600 -0.327 0.000 0.987 456 K CA -0.741 55.429 56.287 -0.194 0.000 0.868 456 K CB 2.223 34.721 32.500 -0.004 0.000 1.421 456 K HN 0.809 nan 8.250 nan 0.000 0.444 457 T N -0.305 113.875 114.554 -0.623 0.000 2.869 457 T HA 0.254 4.605 4.350 0.001 0.000 0.295 457 T C -0.025 174.458 174.700 -0.362 0.000 0.987 457 T CA -0.787 60.920 62.100 -0.654 0.000 1.109 457 T CB 0.708 69.101 68.868 -0.792 0.000 0.932 457 T HN 0.504 nan 8.240 nan 0.000 0.518 458 K N 1.568 121.787 120.400 -0.302 0.000 2.336 458 K HA 0.073 4.393 4.320 0.001 0.000 0.262 458 K C 0.569 177.082 176.600 -0.147 0.000 0.992 458 K CA -0.350 55.834 56.287 -0.170 0.000 0.927 458 K CB 0.399 32.819 32.500 -0.133 0.000 0.956 458 K HN 0.757 nan 8.250 nan 0.000 0.495 459 E N 0.320 120.465 120.200 -0.090 0.000 2.465 459 E HA -0.015 4.336 4.350 0.001 0.000 0.260 459 E C 0.878 177.432 176.600 -0.078 0.000 0.980 459 E CA 1.495 57.850 56.400 -0.075 0.000 0.927 459 E CB 0.169 29.841 29.700 -0.046 0.000 0.934 459 E HN 0.648 nan 8.360 nan 0.000 0.459 460 G N 4.486 113.240 108.800 -0.078 0.000 2.900 460 G HA2 -0.290 3.671 3.960 0.001 0.000 0.223 460 G HA3 -0.290 3.671 3.960 0.001 0.000 0.223 460 G C -0.168 174.680 174.900 -0.087 0.000 1.293 460 G CA 0.258 45.317 45.100 -0.069 0.000 0.792 460 G HN 0.567 nan 8.290 nan 0.000 0.527 461 K N 1.184 121.518 120.400 -0.110 0.000 2.397 461 K HA 0.517 4.838 4.320 0.001 0.000 0.265 461 K C 0.251 176.753 176.600 -0.163 0.000 0.982 461 K CA 0.027 56.235 56.287 -0.132 0.000 0.931 461 K CB 1.152 33.555 32.500 -0.161 0.000 0.943 461 K HN 0.721 nan 8.250 nan 0.000 0.501 462 I N -0.112 120.371 120.570 -0.144 0.000 2.647 462 I HA 0.172 4.343 4.170 0.001 0.000 0.295 462 I C -0.349 175.694 176.117 -0.122 0.000 1.078 462 I CA -0.480 60.740 61.300 -0.133 0.000 1.048 462 I CB 2.257 40.213 38.000 -0.074 0.000 1.239 462 I HN 0.413 nan 8.210 nan 0.000 0.421 463 T N 4.822 119.312 114.554 -0.107 0.000 2.860 463 T HA 0.085 4.435 4.350 0.001 0.000 0.299 463 T C 1.455 176.192 174.700 0.062 0.000 1.045 463 T CA -0.446 61.653 62.100 -0.002 0.000 1.071 463 T CB 1.541 70.469 68.868 0.100 0.000 0.985 463 T HN 0.494 nan 8.240 nan 0.000 0.537 464 V N 2.609 122.598 119.914 0.124 0.000 2.363 464 V HA -0.231 3.890 4.120 0.001 0.000 0.254 464 V C 2.252 178.391 176.094 0.075 0.000 1.074 464 V CA 1.934 64.291 62.300 0.095 0.000 1.069 464 V CB -0.828 31.073 31.823 0.130 0.000 0.659 464 V HN 0.697 nan 8.190 nan 0.000 0.455 465 L N -0.524 120.759 121.223 0.099 0.000 2.341 465 L HA 0.327 4.668 4.340 0.001 0.000 0.214 465 L C 1.792 178.699 176.870 0.062 0.000 1.115 465 L CA 1.018 55.907 54.840 0.082 0.000 0.820 465 L CB -0.405 41.718 42.059 0.107 0.000 0.944 465 L HN 0.510 nan 8.230 nan 0.000 0.452 466 G N -0.218 108.616 108.800 0.056 0.000 2.183 466 G HA2 -0.167 3.794 3.960 0.001 0.000 0.168 466 G HA3 -0.167 3.794 3.960 0.001 0.000 0.168 466 G C -0.084 174.839 174.900 0.039 0.000 1.008 466 G CA -0.569 44.550 45.100 0.033 0.000 0.677 466 G HN 0.349 nan 8.290 nan 0.000 0.498 467 E N 0.562 120.806 120.200 0.073 0.000 2.313 467 E HA 0.564 4.915 4.350 0.001 0.000 0.272 467 E C 0.156 176.757 176.600 0.001 0.000 1.038 467 E CA -0.393 56.073 56.400 0.110 0.000 0.863 467 E CB 0.836 30.696 29.700 0.267 0.000 1.060 467 E HN 0.499 nan 8.360 nan 0.000 0.402 468 K N 2.179 122.574 120.400 -0.008 0.000 2.565 468 K HA 0.514 4.835 4.320 0.001 0.000 0.249 468 K C -1.187 175.381 176.600 -0.054 0.000 0.958 468 K CA -0.736 55.443 56.287 -0.180 0.000 0.806 468 K CB 0.893 33.319 32.500 -0.124 0.000 1.194 468 K HN 0.403 nan 8.250 nan 0.000 0.434 469 F N -0.431 119.486 119.950 -0.055 0.000 2.849 469 F HA 0.630 5.158 4.527 0.001 0.000 0.341 469 F C -1.029 174.739 175.800 -0.053 0.000 1.185 469 F CA -1.265 56.705 58.000 -0.050 0.000 1.007 469 F CB 1.000 39.967 39.000 -0.056 0.000 1.454 469 F HN 0.575 nan 8.300 nan 0.000 0.518 470 N N -2.071 116.830 118.700 0.334 0.000 2.469 470 N HA 0.395 5.136 4.740 0.001 0.000 0.286 470 N C -2.001 173.706 175.510 0.328 0.000 1.275 470 N CA -0.765 52.431 53.050 0.243 0.000 0.790 470 N CB 0.983 39.558 38.487 0.146 0.000 1.446 470 N HN 0.616 nan 8.380 nan 0.000 0.501 471 W N 2.322 123.621 121.300 -0.002 0.000 2.446 471 W HA -0.129 4.532 4.660 0.001 0.000 0.369 471 W C 0.536 177.049 176.519 -0.009 0.000 0.851 471 W CA 0.758 58.089 57.345 -0.024 0.000 0.887 471 W CB -0.549 28.861 29.460 -0.083 0.000 1.009 471 W HN 0.374 nan 8.180 nan 0.000 0.590 472 R N 2.007 122.578 120.500 0.119 0.000 2.799 472 R HA 0.594 4.935 4.340 0.001 0.000 0.270 472 R C -0.658 175.747 176.300 0.175 0.000 1.010 472 R CA -1.356 54.789 56.100 0.076 0.000 0.916 472 R CB 0.902 31.146 30.300 -0.094 0.000 1.228 472 R HN 0.095 nan 8.270 nan 0.000 0.469 473 N N 0.566 119.363 118.700 0.162 0.000 2.530 473 N HA 0.244 4.985 4.740 0.001 0.000 0.273 473 N C -0.521 175.117 175.510 0.213 0.000 1.173 473 N CA -0.291 52.861 53.050 0.170 0.000 0.967 473 N CB 0.735 39.269 38.487 0.078 0.000 1.109 473 N HN 0.425 nan 8.380 nan 0.000 0.453 474 I N 1.854 122.478 120.570 0.089 0.000 2.421 474 I HA 0.017 4.188 4.170 0.001 0.000 0.291 474 I C 0.557 176.619 176.117 -0.091 0.000 1.089 474 I CA 0.098 61.313 61.300 -0.142 0.000 1.354 474 I CB 0.113 37.940 38.000 -0.288 0.000 1.413 474 I HN 0.314 nan 8.210 nan 0.000 0.513 475 E N 5.985 126.156 120.200 -0.048 0.000 2.242 475 E HA 0.503 4.853 4.350 0.001 0.000 0.275 475 E C -0.742 175.823 176.600 -0.058 0.000 1.002 475 E CA -0.644 55.711 56.400 -0.075 0.000 0.841 475 E CB 2.608 32.234 29.700 -0.125 0.000 1.109 475 E HN 0.431 nan 8.360 nan 0.000 0.394 476 V N -0.861 118.989 119.914 -0.107 0.000 2.823 476 V HA 0.457 4.578 4.120 0.001 0.000 0.312 476 V C -0.130 175.925 176.094 -0.065 0.000 1.072 476 V CA -1.277 60.967 62.300 -0.092 0.000 0.937 476 V CB 1.791 33.481 31.823 -0.222 0.000 1.013 476 V HN 0.556 nan 8.190 nan 0.000 0.430 477 M N 3.139 122.741 119.600 0.003 0.000 2.238 477 M HA 0.579 5.060 4.480 0.001 0.000 0.350 477 M C 0.306 176.589 176.300 -0.029 0.000 1.321 477 M CA 0.622 55.934 55.300 0.019 0.000 1.097 477 M CB 0.460 33.095 32.600 0.058 0.000 1.713 477 M HN 1.143 nan 8.290 nan 0.000 0.455 478 A N 3.724 126.522 122.820 -0.037 0.000 2.344 478 A HA 0.888 5.209 4.320 0.001 0.000 0.307 478 A C -0.616 176.950 177.584 -0.030 0.000 1.151 478 A CA -0.680 51.328 52.037 -0.049 0.000 0.842 478 A CB 1.516 20.473 19.000 -0.071 0.000 1.350 478 A HN 0.693 nan 8.150 nan 0.000 0.459 479 K N 0.708 121.089 120.400 -0.032 0.000 2.427 479 K HA 0.329 4.650 4.320 0.001 0.000 0.252 479 K C -1.143 175.440 176.600 -0.029 0.000 0.931 479 K CA -0.460 55.810 56.287 -0.028 0.000 0.793 479 K CB 1.370 33.855 32.500 -0.024 0.000 1.211 479 K HN 0.593 nan 8.250 nan 0.000 0.426 480 N N 3.608 122.294 118.700 -0.024 0.000 2.411 480 N HA 0.217 4.958 4.740 0.001 0.000 0.259 480 N C -1.305 174.193 175.510 -0.021 0.000 1.103 480 N CA -0.180 52.856 53.050 -0.022 0.000 0.954 480 N CB 1.023 39.501 38.487 -0.014 0.000 1.085 480 N HN 0.493 nan 8.380 nan 0.000 0.485 481 V N 1.045 120.944 119.914 -0.025 0.000 2.398 481 V HA 0.451 4.572 4.120 0.001 0.000 0.282 481 V C 0.111 176.191 176.094 -0.023 0.000 1.014 481 V CA -0.634 61.651 62.300 -0.024 0.000 0.838 481 V CB 0.879 32.683 31.823 -0.031 0.000 1.018 481 V HN 0.784 nan 8.190 nan 0.000 0.432 482 E N 3.428 123.617 120.200 -0.018 0.000 2.553 482 E HA -0.238 4.112 4.350 0.001 0.000 0.264 482 E C 1.234 177.825 176.600 -0.016 0.000 1.068 482 E CA 0.964 57.354 56.400 -0.016 0.000 0.774 482 E CB -1.323 28.366 29.700 -0.018 0.000 1.349 482 E HN 2.056 nan 8.360 nan 0.000 0.404 483 G N -1.807 106.983 108.800 -0.016 0.000 2.253 483 G HA2 -0.352 3.609 3.960 0.001 0.000 0.251 483 G HA3 -0.352 3.609 3.960 0.001 0.000 0.251 483 G C 0.403 175.291 174.900 -0.020 0.000 0.998 483 G CA 0.287 45.377 45.100 -0.016 0.000 0.621 483 G HN 0.337 nan 8.290 nan 0.000 0.524 484 V N 1.128 121.027 119.914 -0.024 0.000 2.834 484 V HA 0.758 4.879 4.120 0.001 0.000 0.313 484 V C 0.171 176.245 176.094 -0.034 0.000 1.060 484 V CA -0.856 61.427 62.300 -0.029 0.000 0.989 484 V CB 1.808 33.613 31.823 -0.030 0.000 1.041 484 V HN 0.272 nan 8.190 nan 0.000 0.459 485 L N 4.461 125.659 121.223 -0.041 0.000 2.280 485 L HA 0.513 4.854 4.340 0.001 0.000 0.287 485 L C -0.050 176.786 176.870 -0.057 0.000 1.023 485 L CA -0.041 54.770 54.840 -0.048 0.000 0.819 485 L CB 0.872 42.899 42.059 -0.055 0.000 1.212 485 L HN 0.509 nan 8.230 nan 0.000 0.420 486 K N 6.060 126.429 120.400 -0.052 0.000 2.156 486 K HA 0.605 4.925 4.320 0.001 0.000 0.254 486 K C -2.609 173.955 176.600 -0.059 0.000 0.950 486 K CA -1.871 54.383 56.287 -0.054 0.000 0.849 486 K CB 1.692 34.168 32.500 -0.040 0.000 1.100 486 K HN 0.319 nan 8.250 nan 0.000 0.434 487 P HA 0.272 nan 4.420 nan 0.000 0.284 487 P C -0.395 176.922 177.300 0.028 0.000 1.253 487 P CA -0.381 62.667 63.100 -0.086 0.000 0.800 487 P CB 0.850 32.388 31.700 -0.270 0.000 0.961 488 L N 1.637 122.886 121.223 0.042 0.000 2.431 488 L HA 0.700 5.041 4.340 0.001 0.000 0.260 488 L C 1.169 178.126 176.870 0.146 0.000 1.098 488 L CA -0.125 54.760 54.840 0.074 0.000 0.800 488 L CB 1.032 43.112 42.059 0.035 0.000 1.210 488 L HN 0.450 nan 8.230 nan 0.000 0.465 489 T N -0.503 114.099 114.554 0.079 0.000 2.749 489 T HA 0.556 4.907 4.350 0.001 0.000 0.310 489 T C -1.245 173.450 174.700 -0.008 0.000 1.496 489 T CA -0.210 61.912 62.100 0.038 0.000 1.006 489 T CB 1.230 70.097 68.868 -0.000 0.000 1.457 489 T HN 0.758 nan 8.240 nan 0.000 0.497 490 A N 2.606 125.410 122.820 -0.027 0.000 2.587 490 A HA 0.429 4.750 4.320 0.001 0.000 0.235 490 A C 0.441 178.000 177.584 -0.042 0.000 1.044 490 A CA 0.625 52.649 52.037 -0.023 0.000 0.754 490 A CB -0.521 18.474 19.000 -0.008 0.000 0.968 490 A HN 0.831 nan 8.150 nan 0.000 0.509 491 D N 0.390 120.770 120.400 -0.034 0.000 2.530 491 D HA 0.453 5.094 4.640 0.001 0.000 0.282 491 D C -0.816 175.536 176.300 0.086 0.000 1.204 491 D CA -0.239 53.717 54.000 -0.073 0.000 1.093 491 D CB -0.014 40.761 40.800 -0.043 0.000 1.154 491 D HN 0.357 nan 8.370 nan 0.000 0.593 492 Y N -0.720 119.657 120.300 0.128 0.000 2.341 492 Y HA 0.382 4.933 4.550 0.001 0.000 0.337 492 Y C -0.403 175.668 175.900 0.285 0.000 1.014 492 Y CA -1.148 57.084 58.100 0.221 0.000 1.111 492 Y CB 1.234 39.893 38.460 0.332 0.000 1.194 492 Y HN 0.161 nan 8.280 nan 0.000 0.462 493 D N 3.313 123.995 120.400 0.470 0.000 2.427 493 D HA 0.229 4.870 4.640 0.001 0.000 0.226 493 D C -0.689 175.840 176.300 0.382 0.000 1.076 493 D CA -0.486 53.765 54.000 0.418 0.000 0.849 493 D CB 1.263 42.259 40.800 0.326 0.000 1.052 493 D HN 0.233 nan 8.370 nan 0.000 0.515 494 L N 2.580 123.952 121.223 0.248 0.000 2.455 494 L HA 0.073 4.413 4.340 0.001 0.000 0.272 494 L C 0.987 177.931 176.870 0.123 0.000 1.174 494 L CA 0.340 55.212 54.840 0.052 0.000 0.869 494 L CB 0.163 42.158 42.059 -0.107 0.000 1.130 494 L HN 0.390 nan 8.230 nan 0.000 0.474 495 F N 3.196 123.163 119.950 0.028 0.000 2.473 495 F HA 0.522 5.050 4.527 0.001 0.000 0.294 495 F C 0.758 176.583 175.800 0.041 0.000 1.103 495 F CA 0.538 58.592 58.000 0.089 0.000 1.442 495 F CB 0.368 39.458 39.000 0.149 0.000 1.097 495 F HN 0.516 nan 8.300 nan 0.000 0.547 496 A N 0.123 123.021 122.820 0.130 0.000 2.569 496 A HA 0.550 4.870 4.320 0.001 0.000 0.292 496 A C -2.037 175.585 177.584 0.065 0.000 1.032 496 A CA -0.660 51.410 52.037 0.055 0.000 0.669 496 A CB 0.358 19.556 19.000 0.329 0.000 1.290 496 A HN 0.095 nan 8.150 nan 0.000 0.422 497 L N 1.001 122.268 121.223 0.073 0.000 2.404 497 L HA 0.712 5.053 4.340 0.001 0.000 0.272 497 L C 0.050 177.173 176.870 0.422 0.000 0.980 497 L CA -0.565 54.405 54.840 0.217 0.000 0.836 497 L CB 1.983 44.141 42.059 0.166 0.000 1.238 497 L HN 1.055 nan 8.230 nan 0.000 0.408 498 A N 5.958 128.978 122.820 0.333 0.000 2.323 498 A HA 0.797 5.118 4.320 0.001 0.000 0.305 498 A C -2.638 175.093 177.584 0.244 0.000 1.275 498 A CA -1.362 50.840 52.037 0.276 0.000 0.804 498 A CB 0.720 19.845 19.000 0.207 0.000 1.152 498 A HN 0.310 nan 8.150 nan 0.000 0.487 499 P HA 0.290 nan 4.420 nan 0.000 0.281 499 P C 0.117 177.474 177.300 0.094 0.000 1.281 499 P CA -0.397 62.698 63.100 -0.008 0.000 0.811 499 P CB 1.473 32.926 31.700 -0.413 0.000 1.154 500 S N -0.209 115.469 115.700 -0.037 0.000 2.565 500 S HA 0.149 4.620 4.470 0.001 0.000 0.274 500 S C 1.658 176.102 174.600 -0.260 0.000 1.309 500 S CA -0.603 57.389 58.200 -0.346 0.000 1.043 500 S CB -0.549 62.408 63.200 -0.406 0.000 0.939 500 S HN 0.340 nan 8.310 nan 0.000 0.504 501 L N 3.500 124.571 121.223 -0.253 0.000 2.081 501 L HA -0.132 4.209 4.340 0.001 0.000 0.212 501 L C 2.897 179.651 176.870 -0.193 0.000 1.080 501 L CA 1.892 56.623 54.840 -0.182 0.000 0.754 501 L CB -1.017 40.965 42.059 -0.128 0.000 0.893 501 L HN 0.971 nan 8.230 nan 0.000 0.433 502 T N -3.772 110.661 114.554 -0.203 0.000 2.897 502 T HA -0.243 4.108 4.350 0.001 0.000 0.271 502 T C 1.601 176.191 174.700 -0.184 0.000 1.084 502 T CA 1.542 63.533 62.100 -0.181 0.000 1.123 502 T CB -0.163 68.607 68.868 -0.164 0.000 0.865 502 T HN 0.223 nan 8.240 nan 0.000 0.496 503 E N 0.741 120.826 120.200 -0.191 0.000 2.122 503 E HA 0.089 4.440 4.350 0.001 0.000 0.190 503 E C 1.932 178.412 176.600 -0.199 0.000 0.977 503 E CA 0.327 56.622 56.400 -0.175 0.000 0.820 503 E CB -0.330 29.272 29.700 -0.164 0.000 0.770 503 E HN 0.445 nan 8.360 nan 0.000 0.462 504 I N 1.209 121.636 120.570 -0.237 0.000 2.454 504 I HA -0.194 3.977 4.170 0.001 0.000 0.254 504 I C 2.050 178.038 176.117 -0.215 0.000 1.156 504 I CA 0.922 62.086 61.300 -0.227 0.000 1.433 504 I CB -1.043 36.828 38.000 -0.215 0.000 1.082 504 I HN 0.127 nan 8.210 nan 0.000 0.432 505 K N 2.415 122.659 120.400 -0.259 0.000 1.987 505 K HA -0.204 4.117 4.320 0.001 0.000 0.216 505 K C 1.879 178.286 176.600 -0.321 0.000 1.051 505 K CA 1.851 57.919 56.287 -0.365 0.000 0.942 505 K CB -0.437 31.828 32.500 -0.392 0.000 0.722 505 K HN 0.158 nan 8.250 nan 0.000 0.444 506 K N 0.008 120.266 120.400 -0.237 0.000 2.374 506 K HA -0.251 4.070 4.320 0.001 0.000 0.202 506 K C 2.223 178.719 176.600 -0.173 0.000 1.044 506 K CA 1.668 57.846 56.287 -0.181 0.000 0.933 506 K CB -0.135 32.291 32.500 -0.123 0.000 0.745 506 K HN 0.276 nan 8.250 nan 0.000 0.474 507 Q N 0.722 120.412 119.800 -0.183 0.000 2.212 507 Q HA 0.088 4.429 4.340 0.001 0.000 0.199 507 Q C 0.183 175.941 176.000 -0.404 0.000 0.950 507 Q CA 0.526 56.228 55.803 -0.169 0.000 0.863 507 Q CB 0.388 29.102 28.738 -0.040 0.000 0.944 507 Q HN 0.225 nan 8.270 nan 0.000 0.465 508 I N 3.539 123.839 120.570 -0.450 0.000 2.416 508 I HA 0.168 4.339 4.170 0.001 0.000 0.288 508 I C -1.970 173.905 176.117 -0.404 0.000 1.051 508 I CA -2.087 58.850 61.300 -0.606 0.000 1.375 508 I CB 0.862 38.629 38.000 -0.388 0.000 1.407 508 I HN 0.099 nan 8.210 nan 0.000 0.516 509 P HA -0.069 nan 4.420 nan 0.000 0.265 509 P C -0.404 176.882 177.300 -0.023 0.000 1.222 509 P CA -0.293 62.715 63.100 -0.152 0.000 0.767 509 P CB 0.691 32.330 31.700 -0.102 0.000 0.801 510 Q N 3.061 122.858 119.800 -0.004 0.000 2.417 510 Q HA -0.068 4.273 4.340 0.001 0.000 0.183 510 Q C 0.853 176.923 176.000 0.116 0.000 0.908 510 Q CA 0.999 56.860 55.803 0.097 0.000 0.994 510 Q CB -0.715 28.059 28.738 0.060 0.000 1.557 510 Q HN 0.510 nan 8.270 nan 0.000 0.382 511 K N -0.580 119.895 120.400 0.124 0.000 2.826 511 K HA 0.077 4.397 4.320 0.001 0.000 0.195 511 K C 1.059 177.721 176.600 0.103 0.000 1.516 511 K CA 0.637 56.978 56.287 0.090 0.000 1.213 511 K CB 0.356 32.890 32.500 0.057 0.000 1.762 511 K HN 0.275 nan 8.250 nan 0.000 0.583 512 E N -1.180 119.105 120.200 0.142 0.000 2.441 512 E HA -0.005 4.346 4.350 0.001 0.000 0.212 512 E C 1.201 177.919 176.600 0.197 0.000 0.840 512 E CA -0.198 56.281 56.400 0.131 0.000 1.143 512 E CB 0.098 29.882 29.700 0.141 0.000 1.153 512 E HN 0.301 nan 8.360 nan 0.000 0.539 513 W N 2.426 123.725 121.300 -0.001 0.000 2.501 513 W HA 0.078 4.739 4.660 0.001 0.000 0.309 513 W C 1.397 177.917 176.519 0.001 0.000 1.165 513 W CA 1.550 58.895 57.345 -0.000 0.000 1.381 513 W CB -0.205 29.242 29.460 -0.020 0.000 1.142 513 W HN 0.003 nan 8.180 nan 0.000 0.509 514 D N 0.647 121.029 120.400 -0.030 0.000 2.239 514 D HA -0.227 4.414 4.640 0.001 0.000 0.202 514 D C 1.807 177.996 176.300 -0.186 0.000 0.993 514 D CA 1.695 55.559 54.000 -0.227 0.000 0.874 514 D CB -0.193 40.562 40.800 -0.075 0.000 0.922 514 D HN 0.333 nan 8.370 nan 0.000 0.464 515 K N 0.401 120.752 120.400 -0.081 0.000 1.965 515 K HA -0.121 4.200 4.320 0.001 0.000 0.214 515 K C 2.373 178.922 176.600 -0.086 0.000 1.046 515 K CA 1.480 57.733 56.287 -0.058 0.000 0.944 515 K CB -0.423 32.075 32.500 -0.005 0.000 0.726 515 K HN 0.122 nan 8.250 nan 0.000 0.441 516 V N -0.747 119.125 119.914 -0.069 0.000 2.594 516 V HA -0.171 3.950 4.120 0.001 0.000 0.253 516 V C 2.080 178.088 176.094 -0.144 0.000 1.069 516 V CA 1.339 63.599 62.300 -0.066 0.000 1.082 516 V CB -0.702 31.119 31.823 -0.002 0.000 0.680 516 V HN 0.032 nan 8.190 nan 0.000 0.469 517 V N 1.780 121.516 119.914 -0.296 0.000 2.221 517 V HA -0.233 3.888 4.120 0.001 0.000 0.242 517 V C 2.244 178.188 176.094 -0.250 0.000 1.041 517 V CA 2.665 64.725 62.300 -0.400 0.000 0.995 517 V CB -1.170 30.167 31.823 -0.809 0.000 0.635 517 V HN 0.611 nan 8.190 nan 0.000 0.448 518 N N -0.194 118.368 118.700 -0.230 0.000 2.617 518 N HA -0.042 4.699 4.740 0.001 0.000 0.198 518 N C 0.023 175.475 175.510 -0.097 0.000 1.317 518 N CA -0.133 52.829 53.050 -0.147 0.000 0.892 518 N CB -0.137 38.274 38.487 -0.127 0.000 1.041 518 N HN 0.427 nan 8.380 nan 0.000 0.450 519 T N 1.726 116.225 114.554 -0.091 0.000 2.867 519 T HA 0.009 4.360 4.350 0.001 0.000 0.297 519 T C -1.319 173.354 174.700 -0.045 0.000 0.989 519 T CA -1.019 61.047 62.100 -0.057 0.000 1.159 519 T CB 1.206 70.046 68.868 -0.046 0.000 0.928 519 T HN 0.082 nan 8.240 nan 0.000 0.538 520 P HA -0.135 nan 4.420 nan 0.000 0.216 520 P C 0.966 178.256 177.300 -0.016 0.000 1.150 520 P CA 0.849 63.935 63.100 -0.023 0.000 0.843 520 P CB 0.094 31.784 31.700 -0.017 0.000 0.787 521 N N -1.137 117.556 118.700 -0.012 0.000 2.253 521 N HA -0.007 4.734 4.740 0.001 0.000 0.250 521 N C 0.138 175.646 175.510 -0.005 0.000 1.292 521 N CA 0.720 53.769 53.050 -0.003 0.000 0.871 521 N CB 0.110 38.596 38.487 -0.002 0.000 1.013 521 N HN -0.174 nan 8.380 nan 0.000 0.457 522 S N -1.016 114.687 115.700 0.005 0.000 2.752 522 S HA 0.087 4.558 4.470 0.001 0.000 0.242 522 S C 0.211 174.820 174.600 0.014 0.000 0.914 522 S CA -0.527 57.676 58.200 0.006 0.000 1.427 522 S CB 0.126 63.332 63.200 0.010 0.000 1.244 522 S HN 0.505 nan 8.310 nan 0.000 0.655 523 L N 2.289 123.520 121.223 0.014 0.000 2.738 523 L HA 0.543 4.884 4.340 0.001 0.000 0.178 523 L C 1.899 178.767 176.870 -0.003 0.000 1.281 523 L CA 1.452 56.298 54.840 0.010 0.000 0.864 523 L CB -0.707 41.357 42.059 0.008 0.000 1.224 523 L HN 0.199 nan 8.230 nan 0.000 0.520 524 E N -0.281 119.911 120.200 -0.013 0.000 2.333 524 E HA -0.240 4.111 4.350 0.001 0.000 0.198 524 E C 1.893 178.491 176.600 -0.004 0.000 1.007 524 E CA 0.582 56.974 56.400 -0.013 0.000 0.845 524 E CB -0.036 29.652 29.700 -0.019 0.000 0.766 524 E HN 0.296 nan 8.360 nan 0.000 0.507 525 K N 1.118 121.515 120.400 -0.005 0.000 2.152 525 K HA -0.247 4.074 4.320 0.001 0.000 0.206 525 K C 1.927 178.529 176.600 0.004 0.000 1.048 525 K CA 1.639 57.920 56.287 -0.009 0.000 0.933 525 K CB -0.107 32.382 32.500 -0.018 0.000 0.721 525 K HN 0.318 nan 8.250 nan 0.000 0.447 526 Q N 0.670 120.477 119.800 0.012 0.000 2.049 526 Q HA -0.163 4.177 4.340 0.001 0.000 0.198 526 Q C 2.172 178.191 176.000 0.032 0.000 0.971 526 Q CA 1.728 57.546 55.803 0.026 0.000 0.833 526 Q CB -0.048 28.706 28.738 0.026 0.000 0.896 526 Q HN 0.306 nan 8.270 nan 0.000 0.434 527 K N -0.456 119.956 120.400 0.021 0.000 2.044 527 K HA -0.165 4.156 4.320 0.001 0.000 0.210 527 K C 1.874 178.493 176.600 0.031 0.000 1.049 527 K CA 1.799 58.098 56.287 0.020 0.000 0.927 527 K CB -0.612 31.892 32.500 0.006 0.000 0.713 527 K HN 0.296 nan 8.250 nan 0.000 0.443 528 G N 0.188 109.006 108.800 0.031 0.000 2.443 528 G HA2 -0.145 3.815 3.960 0.001 0.000 0.219 528 G HA3 -0.145 3.815 3.960 0.001 0.000 0.219 528 G C 1.399 176.349 174.900 0.084 0.000 1.131 528 G CA 0.808 45.936 45.100 0.048 0.000 0.775 528 G HN 0.228 nan 8.290 nan 0.000 0.547 529 V N 0.653 120.617 119.914 0.084 0.000 2.346 529 V HA -0.116 4.004 4.120 0.001 0.000 0.244 529 V C 3.078 179.242 176.094 0.118 0.000 1.037 529 V CA 2.212 64.592 62.300 0.133 0.000 1.029 529 V CB -0.855 31.038 31.823 0.117 0.000 0.663 529 V HN 0.333 nan 8.190 nan 0.000 0.454 530 T N 0.206 114.808 114.554 0.080 0.000 2.746 530 T HA -0.184 4.167 4.350 0.001 0.000 0.267 530 T C 1.884 176.618 174.700 0.057 0.000 1.039 530 T CA 1.521 63.658 62.100 0.063 0.000 1.142 530 T CB -0.402 68.493 68.868 0.045 0.000 0.866 530 T HN 0.343 nan 8.240 nan 0.000 0.444 531 N N 0.836 119.568 118.700 0.053 0.000 2.453 531 N HA 0.066 4.806 4.740 0.001 0.000 0.183 531 N C 1.581 177.126 175.510 0.059 0.000 1.041 531 N CA 0.505 53.579 53.050 0.039 0.000 0.900 531 N CB -0.112 38.393 38.487 0.029 0.000 0.961 531 N HN 0.396 nan 8.380 nan 0.000 0.443 532 L N -0.084 121.206 121.223 0.111 0.000 2.307 532 L HA -0.036 4.304 4.340 0.001 0.000 0.211 532 L C 2.092 179.060 176.870 0.162 0.000 1.099 532 L CA 0.200 55.148 54.840 0.181 0.000 0.816 532 L CB -0.095 42.114 42.059 0.251 0.000 0.952 532 L HN 0.123 nan 8.230 nan 0.000 0.455 533 L N 0.223 121.510 121.223 0.107 0.000 2.072 533 L HA -0.126 4.215 4.340 0.001 0.000 0.205 533 L C 2.225 179.131 176.870 0.061 0.000 1.079 533 L CA 1.722 56.607 54.840 0.075 0.000 0.752 533 L CB -0.243 41.851 42.059 0.058 0.000 0.906 533 L HN 0.075 nan 8.230 nan 0.000 0.436 534 I N -0.515 120.078 120.570 0.038 0.000 2.315 534 I HA -0.265 3.905 4.170 0.001 0.000 0.248 534 I C 2.522 178.623 176.117 -0.027 0.000 1.117 534 I CA 1.394 62.697 61.300 0.004 0.000 1.404 534 I CB -0.330 37.661 38.000 -0.015 0.000 1.071 534 I HN 0.340 nan 8.210 nan 0.000 0.419 535 K N 0.753 121.114 120.400 -0.065 0.000 2.005 535 K HA -0.152 4.169 4.320 0.001 0.000 0.206 535 K C 1.809 178.253 176.600 -0.261 0.000 1.044 535 K CA 1.529 57.684 56.287 -0.220 0.000 0.942 535 K CB -0.087 32.185 32.500 -0.379 0.000 0.727 535 K HN 0.159 nan 8.250 nan 0.000 0.439 536 Y N -0.553 119.779 120.300 0.052 0.000 2.466 536 Y HA 0.203 4.754 4.550 0.001 0.000 0.272 536 Y C 1.841 177.804 175.900 0.105 0.000 1.169 536 Y CA 0.441 58.586 58.100 0.075 0.000 1.285 536 Y CB 0.691 39.169 38.460 0.029 0.000 1.078 536 Y HN 0.247 nan 8.280 nan 0.000 0.523 537 G N -0.838 108.069 108.800 0.179 0.000 2.727 537 G HA2 0.118 4.079 3.960 0.001 0.000 0.203 537 G HA3 0.118 4.079 3.960 0.001 0.000 0.203 537 G C 1.151 176.214 174.900 0.273 0.000 1.117 537 G CA 0.434 45.617 45.100 0.138 0.000 0.817 537 G HN 0.268 nan 8.290 nan 0.000 0.553 538 I N -0.438 120.228 120.570 0.161 0.000 4.083 538 I HA 0.248 4.419 4.170 0.001 0.000 0.240 538 I C 0.824 176.938 176.117 -0.005 0.000 1.088 538 I CA -0.252 61.115 61.300 0.111 0.000 1.651 538 I CB -0.203 37.799 38.000 0.003 0.000 1.573 538 I HN -0.016 nan 8.210 nan 0.000 0.451 539 E N 3.675 123.831 120.200 -0.073 0.000 2.244 539 E HA -0.101 4.249 4.350 0.001 0.000 0.243 539 E C -0.161 176.370 176.600 -0.115 0.000 1.250 539 E CA 0.143 56.471 56.400 -0.119 0.000 0.988 539 E CB -0.457 29.174 29.700 -0.116 0.000 1.095 539 E HN 0.084 nan 8.360 nan 0.000 0.454 540 R N 3.318 123.731 120.500 -0.145 0.000 2.566 540 R HA 0.051 4.392 4.340 0.001 0.000 0.273 540 R C 0.051 176.274 176.300 -0.128 0.000 0.981 540 R CA 0.906 56.915 56.100 -0.151 0.000 1.091 540 R CB 0.476 30.649 30.300 -0.211 0.000 0.924 540 R HN 0.441 nan 8.270 nan 0.000 0.411 541 K N 2.893 123.229 120.400 -0.107 0.000 2.495 541 K HA 0.413 4.734 4.320 0.001 0.000 0.268 541 K C -2.690 173.868 176.600 -0.069 0.000 1.008 541 K CA -2.072 54.165 56.287 -0.083 0.000 0.882 541 K CB 1.797 34.256 32.500 -0.069 0.000 1.443 541 K HN 0.242 nan 8.250 nan 0.000 0.447 542 P HA 0.025 nan 4.420 nan 0.000 0.271 542 P C -0.980 176.305 177.300 -0.025 0.000 1.220 542 P CA 0.283 63.364 63.100 -0.032 0.000 0.768 542 P CB 0.599 32.287 31.700 -0.021 0.000 0.848 543 D N 0.841 121.230 120.400 -0.018 0.000 2.627 543 D HA 0.252 4.893 4.640 0.001 0.000 0.259 543 D C 0.457 176.761 176.300 0.007 0.000 1.164 543 D CA -0.297 53.697 54.000 -0.010 0.000 1.087 543 D CB 1.490 42.279 40.800 -0.018 0.000 1.217 543 D HN 0.247 nan 8.370 nan 0.000 0.630 544 S N -1.890 113.821 115.700 0.018 0.000 2.554 544 S HA 0.007 4.478 4.470 0.001 0.000 0.227 544 S C 1.614 176.242 174.600 0.047 0.000 1.050 544 S CA 0.541 58.759 58.200 0.030 0.000 0.927 544 S CB 0.220 63.438 63.200 0.031 0.000 0.859 544 S HN 0.609 nan 8.310 nan 0.000 0.494 545 T N 0.725 115.305 114.554 0.042 0.000 3.021 545 T HA 0.267 4.618 4.350 0.001 0.000 0.245 545 T C 1.497 176.231 174.700 0.057 0.000 1.028 545 T CA 0.143 62.273 62.100 0.050 0.000 1.139 545 T CB -0.399 68.492 68.868 0.037 0.000 0.884 545 T HN 0.207 nan 8.240 nan 0.000 0.457 546 K N 1.389 121.812 120.400 0.039 0.000 2.486 546 K HA 0.396 4.717 4.320 0.001 0.000 0.194 546 K C 1.446 178.064 176.600 0.031 0.000 1.033 546 K CA 0.376 56.685 56.287 0.036 0.000 1.004 546 K CB -0.141 32.358 32.500 -0.002 0.000 0.798 546 K HN 0.630 nan 8.250 nan 0.000 0.495 547 G N 0.413 109.235 108.800 0.037 0.000 2.578 547 G HA2 -0.216 3.744 3.960 0.001 0.000 0.232 547 G HA3 -0.216 3.744 3.960 0.001 0.000 0.232 547 G C -0.606 174.282 174.900 -0.020 0.000 1.176 547 G CA -0.329 44.790 45.100 0.032 0.000 0.968 547 G HN 0.100 nan 8.290 nan 0.000 0.583 548 T N 1.953 116.472 114.554 -0.059 0.000 2.934 548 T HA 0.639 4.990 4.350 0.001 0.000 0.328 548 T C -0.383 174.238 174.700 -0.132 0.000 1.068 548 T CA 0.246 62.294 62.100 -0.086 0.000 1.018 548 T CB 0.828 69.648 68.868 -0.080 0.000 1.009 548 T HN 1.268 nan 8.240 nan 0.000 0.471 549 L N 0.506 121.642 121.223 -0.145 0.000 2.357 549 L HA 0.907 5.248 4.340 0.001 0.000 0.244 549 L C 0.554 177.300 176.870 -0.205 0.000 1.115 549 L CA -1.282 53.438 54.840 -0.200 0.000 0.919 549 L CB 0.131 42.044 42.059 -0.243 0.000 1.532 549 L HN 0.457 nan 8.230 nan 0.000 0.416 550 S N -1.143 114.374 115.700 -0.305 0.000 2.414 550 S HA 0.441 4.912 4.470 0.001 0.000 0.267 550 S C 0.372 174.844 174.600 -0.213 0.000 1.165 550 S CA -0.314 57.733 58.200 -0.255 0.000 1.028 550 S CB 0.283 63.273 63.200 -0.351 0.000 1.154 550 S HN 0.676 nan 8.310 nan 0.000 0.472 551 N N -0.048 118.591 118.700 -0.101 0.000 2.348 551 N HA 0.123 4.864 4.740 0.001 0.000 0.183 551 N C 1.300 176.840 175.510 0.050 0.000 1.094 551 N CA 0.420 53.467 53.050 -0.004 0.000 0.885 551 N CB 0.124 38.666 38.487 0.091 0.000 1.065 551 N HN 0.864 nan 8.380 nan 0.000 0.472 552 W N 0.943 122.267 121.300 0.040 0.000 3.139 552 W HA 0.217 4.877 4.660 0.001 0.000 0.260 552 W C 0.871 177.401 176.519 0.019 0.000 1.312 552 W CA -0.088 57.277 57.345 0.033 0.000 1.606 552 W CB -0.193 29.292 29.460 0.042 0.000 1.118 552 W HN 0.000 nan 8.180 nan 0.000 0.675 553 Q N 1.161 120.578 119.800 -0.639 0.000 2.324 553 Q HA -0.001 4.340 4.340 0.001 0.000 0.207 553 Q C 2.227 178.051 176.000 -0.293 0.000 0.928 553 Q CA 0.700 56.089 55.803 -0.691 0.000 0.890 553 Q CB 0.158 28.345 28.738 -0.919 0.000 1.001 553 Q HN 0.192 nan 8.270 nan 0.000 0.517 554 K N 0.726 121.003 120.400 -0.206 0.000 2.057 554 K HA -0.152 4.169 4.320 0.001 0.000 0.206 554 K C 2.045 178.619 176.600 -0.044 0.000 1.050 554 K CA 1.234 57.460 56.287 -0.102 0.000 0.935 554 K CB 0.059 32.518 32.500 -0.068 0.000 0.715 554 K HN 0.206 nan 8.250 nan 0.000 0.439 555 Q N 0.157 119.951 119.800 -0.010 0.000 2.119 555 Q HA -0.172 4.169 4.340 0.001 0.000 0.201 555 Q C 2.102 178.122 176.000 0.034 0.000 0.972 555 Q CA 1.327 57.149 55.803 0.032 0.000 0.847 555 Q CB -0.170 28.613 28.738 0.074 0.000 0.903 555 Q HN 0.223 nan 8.270 nan 0.000 0.433 556 M N 0.810 120.426 119.600 0.027 0.000 2.059 556 M HA -0.164 4.317 4.480 0.001 0.000 0.259 556 M C 1.799 178.095 176.300 -0.007 0.000 1.072 556 M CA 1.471 56.789 55.300 0.030 0.000 1.117 556 M CB -0.582 32.032 32.600 0.023 0.000 1.320 556 M HN 0.178 nan 8.290 nan 0.000 0.408 557 L N 0.893 122.093 121.223 -0.039 0.000 2.010 557 L HA -0.327 4.013 4.340 0.001 0.000 0.219 557 L C 1.958 178.841 176.870 0.022 0.000 1.077 557 L CA 2.375 57.204 54.840 -0.019 0.000 0.773 557 L CB -1.291 40.751 42.059 -0.028 0.000 0.892 557 L HN 0.402 nan 8.230 nan 0.000 0.436 558 D N -1.366 119.049 120.400 0.024 0.000 2.123 558 D HA -0.161 4.479 4.640 0.001 0.000 0.196 558 D C 2.295 178.629 176.300 0.056 0.000 0.992 558 D CA 0.879 54.905 54.000 0.043 0.000 0.833 558 D CB -0.183 40.639 40.800 0.036 0.000 0.954 558 D HN 0.241 nan 8.370 nan 0.000 0.455 559 R N 0.095 120.623 120.500 0.048 0.000 2.081 559 R HA -0.070 4.271 4.340 0.001 0.000 0.235 559 R C 2.463 178.813 176.300 0.082 0.000 1.131 559 R CA 0.503 56.637 56.100 0.057 0.000 0.960 559 R CB -1.023 29.306 30.300 0.048 0.000 0.856 559 R HN 0.276 nan 8.270 nan 0.000 0.436 560 L N 1.442 122.698 121.223 0.055 0.000 2.046 560 L HA -0.150 4.191 4.340 0.001 0.000 0.208 560 L C 2.052 179.065 176.870 0.239 0.000 1.077 560 L CA 1.435 56.320 54.840 0.074 0.000 0.747 560 L CB -0.498 41.495 42.059 -0.110 0.000 0.896 560 L HN 0.170 nan 8.230 nan 0.000 0.432 561 N N -0.675 118.125 118.700 0.166 0.000 2.300 561 N HA -0.133 4.607 4.740 0.001 0.000 0.179 561 N C 1.741 177.345 175.510 0.157 0.000 1.016 561 N CA 0.842 53.993 53.050 0.169 0.000 0.876 561 N CB -0.004 38.559 38.487 0.128 0.000 0.979 561 N HN 0.471 nan 8.380 nan 0.000 0.432 562 E N 1.220 121.501 120.200 0.134 0.000 2.077 562 E HA -0.116 4.235 4.350 0.001 0.000 0.193 562 E C 1.988 178.684 176.600 0.161 0.000 0.989 562 E CA 0.937 57.411 56.400 0.124 0.000 0.800 562 E CB -0.043 29.708 29.700 0.085 0.000 0.746 562 E HN 0.294 nan 8.360 nan 0.000 0.452 563 A N 1.249 124.179 122.820 0.184 0.000 1.859 563 A HA -0.250 4.071 4.320 0.001 0.000 0.218 563 A C 2.590 180.302 177.584 0.213 0.000 1.209 563 A CA 2.581 54.754 52.037 0.228 0.000 0.639 563 A CB -1.331 17.873 19.000 0.340 0.000 0.835 563 A HN 0.252 nan 8.150 nan 0.000 0.450 564 V N -2.027 117.975 119.914 0.146 0.000 2.332 564 V HA -0.281 3.839 4.120 0.001 0.000 0.248 564 V C 2.097 178.217 176.094 0.044 0.000 1.055 564 V CA 2.495 64.734 62.300 -0.102 0.000 1.038 564 V CB -1.121 30.456 31.823 -0.410 0.000 0.651 564 V HN 0.522 nan 8.190 nan 0.000 0.450 565 K N -0.655 119.834 120.400 0.149 0.000 2.152 565 K HA -0.192 4.129 4.320 0.001 0.000 0.206 565 K C 2.102 178.810 176.600 0.181 0.000 1.048 565 K CA 2.056 58.453 56.287 0.183 0.000 0.933 565 K CB -0.425 32.172 32.500 0.162 0.000 0.721 565 K HN 0.679 nan 8.250 nan 0.000 0.447 566 Y N 1.309 121.652 120.300 0.072 0.000 2.509 566 Y HA -0.104 4.447 4.550 0.001 0.000 0.293 566 Y C 1.377 177.318 175.900 0.067 0.000 1.133 566 Y CA 1.052 59.191 58.100 0.064 0.000 1.283 566 Y CB 0.145 38.644 38.460 0.065 0.000 1.001 566 Y HN -0.100 nan 8.280 nan 0.000 0.555 567 T N -0.344 114.257 114.554 0.079 0.000 3.219 567 T HA 0.246 4.597 4.350 0.001 0.000 0.249 567 T C 1.386 176.108 174.700 0.036 0.000 1.099 567 T CA 0.689 62.808 62.100 0.031 0.000 0.988 567 T CB -0.523 68.422 68.868 0.128 0.000 0.999 567 T HN 0.550 nan 8.240 nan 0.000 0.550 568 G N 1.444 110.258 108.800 0.024 0.000 2.157 568 G HA2 -0.297 3.664 3.960 0.001 0.000 0.248 568 G HA3 -0.297 3.664 3.960 0.001 0.000 0.248 568 G C -0.013 174.945 174.900 0.097 0.000 0.979 568 G CA -0.318 44.801 45.100 0.032 0.000 0.650 568 G HN 0.617 nan 8.290 nan 0.000 0.529 569 Y N 3.403 123.717 120.300 0.023 0.000 2.680 569 Y HA 0.427 4.978 4.550 0.001 0.000 0.356 569 Y C 1.189 177.096 175.900 0.011 0.000 1.122 569 Y CA 0.232 58.352 58.100 0.033 0.000 1.509 569 Y CB -0.038 38.428 38.460 0.010 0.000 1.245 569 Y HN 0.326 nan 8.280 nan 0.000 0.513 570 T N 2.506 116.838 114.554 -0.369 0.000 2.863 570 T HA 0.527 4.878 4.350 0.001 0.000 0.299 570 T C 0.809 175.146 174.700 -0.605 0.000 0.973 570 T CA -0.048 61.831 62.100 -0.368 0.000 0.994 570 T CB 0.330 69.085 68.868 -0.189 0.000 0.961 570 T HN 0.936 nan 8.240 nan 0.000 0.552 571 G N 0.712 109.084 108.800 -0.714 0.000 4.755 571 G HA2 0.508 4.469 3.960 0.001 0.000 0.220 571 G HA3 0.508 4.469 3.960 0.001 0.000 0.220 571 G C 0.545 175.276 174.900 -0.281 0.000 0.675 571 G CA 0.090 44.849 45.100 -0.568 0.000 1.040 571 G HN 1.358 nan 8.290 nan 0.000 0.727 572 G N 0.391 109.090 108.800 -0.169 0.000 2.562 572 G HA2 -0.200 3.761 3.960 0.001 0.000 0.250 572 G HA3 -0.200 3.761 3.960 0.001 0.000 0.250 572 G C -0.374 174.657 174.900 0.217 0.000 1.269 572 G CA -0.037 45.083 45.100 0.034 0.000 0.919 572 G HN 0.413 nan 8.290 nan 0.000 0.574 573 D N -0.341 120.152 120.400 0.155 0.000 2.399 573 D HA 0.281 4.922 4.640 0.001 0.000 0.241 573 D C 1.143 177.522 176.300 0.132 0.000 1.133 573 D CA 0.467 54.556 54.000 0.147 0.000 0.890 573 D CB 1.990 42.846 40.800 0.093 0.000 1.201 573 D HN 0.354 nan 8.370 nan 0.000 0.432 574 V N 2.219 122.152 119.914 0.031 0.000 2.911 574 V HA -0.022 4.099 4.120 0.001 0.000 0.237 574 V C 0.336 176.381 176.094 -0.083 0.000 1.156 574 V CA 0.515 62.692 62.300 -0.205 0.000 1.180 574 V CB 0.883 32.417 31.823 -0.483 0.000 0.932 574 V HN 0.286 nan 8.190 nan 0.000 0.483 575 V N 3.748 123.750 119.914 0.146 0.000 2.383 575 V HA 0.353 4.474 4.120 0.001 0.000 0.275 575 V C 0.376 176.563 176.094 0.156 0.000 1.036 575 V CA 0.377 62.823 62.300 0.243 0.000 0.889 575 V CB 0.704 32.704 31.823 0.295 0.000 0.985 575 V HN 0.782 nan 8.190 nan 0.000 0.459 576 N N 2.963 121.763 118.700 0.168 0.000 2.039 576 N HA 0.089 4.830 4.740 0.001 0.000 0.228 576 N C 0.119 175.745 175.510 0.193 0.000 1.369 576 N CA -0.435 52.693 53.050 0.131 0.000 0.806 576 N CB 0.433 38.969 38.487 0.082 0.000 1.190 576 N HN 0.900 nan 8.380 nan 0.000 0.506 577 H N -0.681 118.401 119.070 0.020 0.000 2.488 577 H HA 0.531 5.088 4.556 0.001 0.000 0.237 577 H C 0.440 175.755 175.328 -0.022 0.000 1.395 577 H CA -0.218 55.828 56.048 -0.003 0.000 1.491 577 H CB 0.469 30.230 29.762 -0.003 0.000 1.567 577 H HN 0.224 nan 8.280 nan 0.000 0.508 578 G N 1.326 109.982 108.800 -0.240 0.000 2.954 578 G HA2 -0.238 3.723 3.960 0.001 0.000 0.672 578 G HA3 -0.238 3.723 3.960 0.001 0.000 0.672 578 G C 0.032 174.596 174.900 -0.561 0.000 1.598 578 G CA -0.049 44.818 45.100 -0.388 0.000 1.063 578 G HN 0.965 nan 8.290 nan 0.000 0.584 579 T N -0.719 113.620 114.554 -0.357 0.000 2.874 579 T HA 0.447 4.798 4.350 0.001 0.000 0.281 579 T C 1.414 175.969 174.700 -0.241 0.000 0.994 579 T CA 0.431 62.364 62.100 -0.277 0.000 1.015 579 T CB 1.270 70.001 68.868 -0.228 0.000 1.028 579 T HN 0.551 nan 8.240 nan 0.000 0.523 580 E N 0.743 120.824 120.200 -0.199 0.000 2.333 580 E HA -0.095 4.256 4.350 0.001 0.000 0.198 580 E C 1.702 178.135 176.600 -0.277 0.000 1.007 580 E CA 0.793 57.076 56.400 -0.195 0.000 0.845 580 E CB 0.148 29.708 29.700 -0.234 0.000 0.766 580 E HN 0.556 nan 8.360 nan 0.000 0.507 581 Q N 0.016 119.628 119.800 -0.314 0.000 2.472 581 Q HA -0.050 4.290 4.340 0.001 0.000 0.208 581 Q C 0.578 176.490 176.000 -0.146 0.000 0.958 581 Q CA 0.623 56.251 55.803 -0.291 0.000 0.932 581 Q CB 0.314 28.863 28.738 -0.314 0.000 1.007 581 Q HN 0.344 nan 8.270 nan 0.000 0.508 582 D N -0.323 120.006 120.400 -0.118 0.000 2.398 582 D HA -0.020 4.621 4.640 0.001 0.000 0.210 582 D C 0.175 176.412 176.300 -0.105 0.000 1.094 582 D CA -0.032 53.891 54.000 -0.129 0.000 0.839 582 D CB 0.177 40.904 40.800 -0.121 0.000 0.963 582 D HN 0.038 nan 8.370 nan 0.000 0.506 583 N N 2.015 120.665 118.700 -0.083 0.000 3.188 583 N HA 0.001 4.742 4.740 0.001 0.000 0.279 583 N C 0.779 176.280 175.510 -0.015 0.000 1.213 583 N CA 0.074 53.123 53.050 -0.001 0.000 1.138 583 N CB 0.255 38.777 38.487 0.059 0.000 1.417 583 N HN 0.104 nan 8.380 nan 0.000 0.526 584 E N 0.621 120.785 120.200 -0.059 0.000 2.112 584 E HA -0.106 4.244 4.350 0.001 0.000 0.190 584 E C 0.919 177.452 176.600 -0.112 0.000 0.979 584 E CA 0.752 57.101 56.400 -0.086 0.000 0.814 584 E CB 0.257 29.889 29.700 -0.114 0.000 0.762 584 E HN 0.605 nan 8.360 nan 0.000 0.460 585 E N 0.245 120.344 120.200 -0.168 0.000 2.017 585 E HA -0.118 4.232 4.350 0.001 0.000 0.193 585 E C 0.090 176.265 176.600 -0.709 0.000 0.997 585 E CA 0.963 57.072 56.400 -0.484 0.000 0.804 585 E CB 0.048 29.399 29.700 -0.583 0.000 0.757 585 E HN 0.175 nan 8.360 nan 0.000 0.448 586 F N 0.919 120.900 119.950 0.052 0.000 2.471 586 F HA 0.291 4.819 4.527 0.001 0.000 0.318 586 F C -2.218 173.622 175.800 0.065 0.000 1.308 586 F CA -2.513 55.523 58.000 0.060 0.000 1.162 586 F CB 0.713 39.754 39.000 0.068 0.000 1.383 586 F HN -0.121 nan 8.300 nan 0.000 0.552 587 P HA 0.119 nan 4.420 nan 0.000 0.272 587 P C -0.574 176.816 177.300 0.151 0.000 1.223 587 P CA 0.082 63.279 63.100 0.162 0.000 0.784 587 P CB 1.513 33.327 31.700 0.191 0.000 0.923 588 E N 0.528 120.818 120.200 0.150 0.000 2.272 588 E HA 0.292 4.643 4.350 0.001 0.000 0.269 588 E C -0.647 175.985 176.600 0.055 0.000 0.877 588 E CA -0.896 55.563 56.400 0.098 0.000 0.755 588 E CB 2.273 32.050 29.700 0.128 0.000 1.192 588 E HN 0.314 nan 8.360 nan 0.000 0.422 589 K N 3.189 123.506 120.400 -0.139 0.000 2.293 589 K HA 0.257 4.578 4.320 0.001 0.000 0.267 589 K C -1.394 175.129 176.600 -0.129 0.000 1.010 589 K CA -0.383 55.657 56.287 -0.413 0.000 0.875 589 K CB 0.658 32.633 32.500 -0.876 0.000 1.106 589 K HN 0.432 nan 8.250 nan 0.000 0.450 590 D N 2.077 122.532 120.400 0.090 0.000 2.228 590 D HA 0.215 4.856 4.640 0.001 0.000 0.247 590 D C 0.655 177.051 176.300 0.161 0.000 0.995 590 D CA -0.743 53.330 54.000 0.121 0.000 0.903 590 D CB 1.216 42.115 40.800 0.166 0.000 1.205 590 D HN 0.393 nan 8.370 nan 0.000 0.459 591 N N 0.528 119.290 118.700 0.104 0.000 2.416 591 N HA -0.032 4.709 4.740 0.001 0.000 0.177 591 N C -0.502 175.061 175.510 0.087 0.000 1.036 591 N CA 0.682 53.799 53.050 0.112 0.000 0.901 591 N CB 0.363 38.889 38.487 0.065 0.000 0.976 591 N HN 0.549 nan 8.380 nan 0.000 0.444 592 E N 0.672 120.908 120.200 0.061 0.000 2.224 592 E HA 0.428 4.778 4.350 0.001 0.000 0.265 592 E C -0.770 175.832 176.600 0.003 0.000 0.878 592 E CA -0.531 55.882 56.400 0.021 0.000 0.759 592 E CB 2.405 32.116 29.700 0.018 0.000 1.164 592 E HN -0.094 nan 8.360 nan 0.000 0.414 593 I N 3.105 123.637 120.570 -0.063 0.000 2.410 593 I HA 0.253 4.424 4.170 0.001 0.000 0.286 593 I C -0.542 175.572 176.117 -0.005 0.000 1.009 593 I CA -0.876 60.367 61.300 -0.095 0.000 1.111 593 I CB 0.612 38.391 38.000 -0.369 0.000 1.262 593 I HN 0.557 nan 8.210 nan 0.000 0.443 594 F N 8.129 128.051 119.950 -0.047 0.000 2.443 594 F HA 0.493 5.020 4.527 0.001 0.000 0.353 594 F C -0.124 175.704 175.800 0.047 0.000 1.101 594 F CA -0.203 57.781 58.000 -0.027 0.000 1.226 594 F CB 0.514 39.502 39.000 -0.020 0.000 1.140 594 F HN 0.260 nan 8.300 nan 0.000 0.557 595 I N 7.525 127.805 120.570 -0.484 0.000 2.533 595 I HA 0.362 4.533 4.170 0.001 0.000 0.290 595 I C -0.955 174.949 176.117 -0.356 0.000 1.056 595 I CA -0.719 60.382 61.300 -0.331 0.000 1.057 595 I CB 2.164 39.980 38.000 -0.305 0.000 1.240 595 I HN 0.387 nan 8.210 nan 0.000 0.423 596 I N 6.042 126.547 120.570 -0.107 0.000 2.437 596 I HA 0.222 4.392 4.170 0.001 0.000 0.279 596 I C -0.278 175.826 176.117 -0.021 0.000 1.028 596 I CA -0.672 60.642 61.300 0.024 0.000 1.142 596 I CB 0.975 39.108 38.000 0.222 0.000 1.266 596 I HN 0.619 nan 8.210 nan 0.000 0.461 597 N N 8.066 126.695 118.700 -0.119 0.000 2.424 597 N HA 0.226 4.967 4.740 0.001 0.000 0.257 597 N C -2.071 173.187 175.510 -0.420 0.000 1.250 597 N CA -1.918 50.822 53.050 -0.515 0.000 0.946 597 N CB 0.107 38.319 38.487 -0.458 0.000 1.175 597 N HN 0.275 nan 8.380 nan 0.000 0.477 598 P HA -0.024 nan 4.420 nan 0.000 0.261 598 P C -0.137 177.073 177.300 -0.150 0.000 1.297 598 P CA 0.952 63.907 63.100 -0.242 0.000 0.757 598 P CB 0.153 31.758 31.700 -0.158 0.000 1.149 599 E N -1.154 118.946 120.200 -0.168 0.000 2.562 599 E HA 0.301 4.652 4.350 0.001 0.000 0.214 599 E C 1.433 177.966 176.600 -0.112 0.000 0.979 599 E CA 0.452 56.786 56.400 -0.111 0.000 1.002 599 E CB -0.176 29.465 29.700 -0.099 0.000 1.048 599 E HN 0.169 nan 8.360 nan 0.000 0.488 600 G N 1.137 109.863 108.800 -0.122 0.000 2.162 600 G HA2 -0.328 3.632 3.960 0.001 0.000 0.260 600 G HA3 -0.328 3.632 3.960 0.001 0.000 0.260 600 G C -0.011 174.709 174.900 -0.300 0.000 0.976 600 G CA 0.437 45.443 45.100 -0.157 0.000 0.655 600 G HN 0.311 nan 8.290 nan 0.000 0.533 601 E N -0.767 119.307 120.200 -0.210 0.000 2.349 601 E HA 0.570 4.921 4.350 0.001 0.000 0.265 601 E C -0.345 176.199 176.600 -0.094 0.000 1.064 601 E CA -0.464 55.816 56.400 -0.199 0.000 0.886 601 E CB 0.753 30.410 29.700 -0.071 0.000 1.036 601 E HN 0.281 nan 8.360 nan 0.000 0.413 602 F N 2.238 122.157 119.950 -0.052 0.000 2.375 602 F HA 0.342 4.870 4.527 0.001 0.000 0.361 602 F C -0.285 175.466 175.800 -0.081 0.000 1.117 602 F CA -1.063 56.870 58.000 -0.113 0.000 1.037 602 F CB 0.700 39.737 39.000 0.062 0.000 1.192 602 F HN 0.186 nan 8.300 nan 0.000 0.452 603 I N 3.668 124.246 120.570 0.014 0.000 2.910 603 I HA 0.536 4.707 4.170 0.001 0.000 0.310 603 I C -0.875 175.189 176.117 -0.088 0.000 1.043 603 I CA -1.108 60.167 61.300 -0.042 0.000 1.053 603 I CB 2.030 39.940 38.000 -0.150 0.000 1.242 603 I HN 0.442 nan 8.210 nan 0.000 0.452 604 L N 2.967 124.150 121.223 -0.067 0.000 2.549 604 L HA 0.383 4.724 4.340 0.001 0.000 0.260 604 L C -0.003 176.821 176.870 -0.077 0.000 1.109 604 L CA -0.212 54.607 54.840 -0.035 0.000 0.900 604 L CB 0.794 42.895 42.059 0.070 0.000 1.119 604 L HN 0.853 nan 8.230 nan 0.000 0.471 605 T N -0.580 113.873 114.554 -0.168 0.000 2.939 605 T HA 0.012 4.363 4.350 0.001 0.000 0.312 605 T C 0.854 175.522 174.700 -0.053 0.000 1.064 605 T CA 0.154 62.176 62.100 -0.130 0.000 1.136 605 T CB 0.830 69.585 68.868 -0.188 0.000 1.035 605 T HN 0.698 nan 8.240 nan 0.000 0.538 606 K N 1.651 122.037 120.400 -0.022 0.000 2.361 606 K HA 0.155 4.476 4.320 0.001 0.000 0.194 606 K C 0.684 177.300 176.600 0.026 0.000 1.032 606 K CA -0.015 56.275 56.287 0.004 0.000 1.048 606 K CB 0.177 32.681 32.500 0.007 0.000 0.842 606 K HN 0.860 nan 8.250 nan 0.000 0.526 607 N N -1.836 116.884 118.700 0.034 0.000 2.504 607 N HA -0.069 4.672 4.740 0.001 0.000 0.268 607 N C -0.208 175.381 175.510 0.132 0.000 1.184 607 N CA -0.729 52.373 53.050 0.088 0.000 0.875 607 N CB 0.085 38.615 38.487 0.071 0.000 1.630 607 N HN -0.015 nan 8.380 nan 0.000 0.486 608 W N 1.693 122.980 121.300 -0.023 0.000 2.308 608 W HA -0.246 4.415 4.660 0.001 0.000 0.301 608 W C 0.582 177.071 176.519 -0.050 0.000 1.220 608 W CA 2.170 59.512 57.345 -0.006 0.000 1.240 608 W CB 0.269 29.742 29.460 0.022 0.000 1.142 608 W HN 0.710 nan 8.180 nan 0.000 0.521 609 E N -0.296 119.962 120.200 0.097 0.000 2.153 609 E HA -0.248 4.103 4.350 0.001 0.000 0.194 609 E C 2.127 178.638 176.600 -0.148 0.000 0.988 609 E CA 1.872 58.237 56.400 -0.057 0.000 0.811 609 E CB -0.759 28.942 29.700 0.002 0.000 0.746 609 E HN 0.357 nan 8.360 nan 0.000 0.466 610 M N -0.386 119.159 119.600 -0.091 0.000 2.191 610 M HA -0.118 4.363 4.480 0.001 0.000 0.262 610 M C 1.712 177.926 176.300 -0.142 0.000 1.083 610 M CA 1.504 56.750 55.300 -0.090 0.000 1.154 610 M CB -0.099 32.477 32.600 -0.039 0.000 1.344 610 M HN 0.021 nan 8.290 nan 0.000 0.431 611 T N 0.298 114.741 114.554 -0.185 0.000 2.760 611 T HA -0.148 4.203 4.350 0.001 0.000 0.269 611 T C 1.527 176.050 174.700 -0.296 0.000 1.047 611 T CA 1.582 63.531 62.100 -0.251 0.000 1.139 611 T CB -0.860 67.823 68.868 -0.309 0.000 0.855 611 T HN 0.701 nan 8.240 nan 0.000 0.471 612 G N 0.824 109.298 108.800 -0.544 0.000 2.551 612 G HA2 -0.070 3.891 3.960 0.001 0.000 0.216 612 G HA3 -0.070 3.891 3.960 0.001 0.000 0.216 612 G C 1.554 176.116 174.900 -0.563 0.000 1.137 612 G CA 0.380 44.961 45.100 -0.865 0.000 0.798 612 G HN 0.451 nan 8.290 nan 0.000 0.536 613 R N -0.425 119.864 120.500 -0.351 0.000 2.153 613 R HA 0.172 4.513 4.340 0.001 0.000 0.218 613 R C 1.887 178.096 176.300 -0.152 0.000 1.072 613 R CA 0.675 56.632 56.100 -0.238 0.000 0.990 613 R CB -0.673 29.528 30.300 -0.165 0.000 0.889 613 R HN 0.272 nan 8.270 nan 0.000 0.452 614 F N 0.635 120.434 119.950 -0.252 0.000 2.060 614 F HA 0.019 4.547 4.527 0.001 0.000 0.295 614 F C 1.789 177.428 175.800 -0.269 0.000 1.120 614 F CA 1.680 59.551 58.000 -0.216 0.000 1.205 614 F CB -0.157 38.729 39.000 -0.190 0.000 0.986 614 F HN -0.047 nan 8.300 nan 0.000 0.470 615 I N 0.430 120.992 120.570 -0.013 0.000 2.335 615 I HA -0.316 3.855 4.170 0.001 0.000 0.251 615 I C 2.435 178.377 176.117 -0.291 0.000 1.129 615 I CA 1.873 63.034 61.300 -0.233 0.000 1.402 615 I CB -0.642 37.211 38.000 -0.246 0.000 1.069 615 I HN 0.362 nan 8.210 nan 0.000 0.424 616 E N 1.556 121.607 120.200 -0.249 0.000 2.051 616 E HA -0.293 4.058 4.350 0.001 0.000 0.192 616 E C 2.255 178.734 176.600 -0.201 0.000 0.991 616 E CA 1.477 57.753 56.400 -0.208 0.000 0.799 616 E CB 0.024 29.583 29.700 -0.235 0.000 0.748 616 E HN 0.381 nan 8.360 nan 0.000 0.449 617 K N -0.266 119.983 120.400 -0.253 0.000 2.098 617 K HA -0.057 4.264 4.320 0.001 0.000 0.203 617 K C 1.486 177.906 176.600 -0.299 0.000 1.051 617 K CA 1.489 57.627 56.287 -0.249 0.000 0.957 617 K CB 0.087 32.432 32.500 -0.258 0.000 0.738 617 K HN 0.037 nan 8.250 nan 0.000 0.447 618 N N -0.249 118.161 118.700 -0.483 0.000 2.405 618 N HA 0.138 4.879 4.740 0.001 0.000 0.175 618 N C 1.227 176.425 175.510 -0.520 0.000 1.051 618 N CA 0.628 53.371 53.050 -0.511 0.000 0.899 618 N CB 0.472 38.463 38.487 -0.827 0.000 1.000 618 N HN 0.184 nan 8.380 nan 0.000 0.451 619 I N -1.528 118.725 120.570 -0.529 0.000 3.534 619 I HA -0.023 4.147 4.170 0.001 0.000 0.251 619 I C 1.840 177.864 176.117 -0.156 0.000 1.136 619 I CA 0.605 61.589 61.300 -0.527 0.000 1.475 619 I CB -0.381 37.163 38.000 -0.759 0.000 1.526 619 I HN 0.057 nan 8.210 nan 0.000 0.454 620 T N -0.903 113.571 114.554 -0.133 0.000 3.163 620 T HA 0.037 4.387 4.350 0.001 0.000 0.260 620 T C 1.214 175.941 174.700 0.046 0.000 1.156 620 T CA 1.076 63.203 62.100 0.044 0.000 1.072 620 T CB -0.408 68.533 68.868 0.122 0.000 0.937 620 T HN 0.447 nan 8.240 nan 0.000 0.528 621 G N -0.084 108.715 108.800 -0.001 0.000 3.979 621 G HA2 0.369 4.330 3.960 0.001 0.000 0.287 621 G HA3 0.369 4.330 3.960 0.001 0.000 0.287 621 G C 0.541 175.459 174.900 0.030 0.000 1.011 621 G CA -0.550 44.556 45.100 0.010 0.000 0.818 621 G HN 0.369 nan 8.290 nan 0.000 0.470 622 K N 0.925 121.379 120.400 0.090 0.000 2.592 622 K HA 0.268 4.589 4.320 0.001 0.000 0.203 622 K C 0.050 176.771 176.600 0.200 0.000 1.070 622 K CA -0.256 56.126 56.287 0.158 0.000 1.062 622 K CB 0.521 33.146 32.500 0.208 0.000 0.814 622 K HN -0.027 nan 8.250 nan 0.000 0.502 623 D N -0.586 119.887 120.400 0.121 0.000 2.988 623 D HA -0.203 4.438 4.640 0.001 0.000 0.221 623 D C -1.051 175.179 176.300 -0.116 0.000 1.122 623 D CA 0.918 54.913 54.000 -0.009 0.000 0.821 623 D CB -1.471 39.272 40.800 -0.095 0.000 1.098 623 D HN 0.213 nan 8.370 nan 0.000 0.433 624 Y N -0.316 119.989 120.300 0.007 0.000 2.509 624 Y HA 0.570 5.121 4.550 0.001 0.000 0.341 624 Y C 0.666 176.575 175.900 0.016 0.000 1.038 624 Y CA -1.066 57.038 58.100 0.007 0.000 1.089 624 Y CB 1.282 39.759 38.460 0.029 0.000 1.241 624 Y HN 0.002 nan 8.280 nan 0.000 0.468 625 L N 3.508 124.807 121.223 0.126 0.000 2.281 625 L HA 0.404 4.745 4.340 0.001 0.000 0.285 625 L C -1.652 175.331 176.870 0.190 0.000 1.074 625 L CA -0.252 54.640 54.840 0.086 0.000 0.817 625 L CB 0.141 42.154 42.059 -0.076 0.000 1.168 625 L HN 0.711 nan 8.230 nan 0.000 0.434 626 Y N 5.423 125.765 120.300 0.071 0.000 2.482 626 Y HA 0.496 5.047 4.550 0.001 0.000 0.334 626 Y C -1.499 174.473 175.900 0.121 0.000 1.091 626 Y CA -0.933 57.186 58.100 0.032 0.000 1.027 626 Y CB 1.340 39.830 38.460 0.049 0.000 1.306 626 Y HN 0.561 nan 8.280 nan 0.000 0.446 627 Y N 4.442 124.407 120.300 -0.558 0.000 2.545 627 Y HA 0.814 5.364 4.550 0.001 0.000 0.348 627 Y C -1.680 173.835 175.900 -0.642 0.000 1.002 627 Y CA -2.531 55.323 58.100 -0.410 0.000 1.039 627 Y CB 0.961 39.247 38.460 -0.290 0.000 1.271 627 Y HN 0.497 nan 8.280 nan 0.000 0.467 628 F N 0.038 119.870 119.950 -0.197 0.000 2.556 628 F HA 0.602 5.129 4.527 0.001 0.000 0.327 628 F C -0.293 175.199 175.800 -0.513 0.000 1.059 628 F CA -1.722 56.005 58.000 -0.455 0.000 0.953 628 F CB 1.230 39.940 39.000 -0.482 0.000 1.227 628 F HN 0.698 nan 8.300 nan 0.000 0.478 629 N N 1.920 120.130 118.700 -0.817 0.000 2.359 629 N HA -0.010 4.731 4.740 0.001 0.000 0.261 629 N C 1.076 176.251 175.510 -0.558 0.000 1.267 629 N CA -0.138 52.419 53.050 -0.821 0.000 0.864 629 N CB 0.663 38.257 38.487 -1.488 0.000 1.063 629 N HN 0.583 nan 8.380 nan 0.000 0.474 630 R N 1.556 121.825 120.500 -0.385 0.000 2.139 630 R HA -0.104 4.237 4.340 0.001 0.000 0.243 630 R C 0.681 176.913 176.300 -0.113 0.000 1.145 630 R CA 1.002 56.944 56.100 -0.263 0.000 0.976 630 R CB -0.345 29.822 30.300 -0.221 0.000 0.866 630 R HN 0.468 nan 8.270 nan 0.000 0.449 631 S N 0.126 115.772 115.700 -0.091 0.000 2.679 631 S HA 0.157 4.628 4.470 0.001 0.000 0.233 631 S C -0.170 174.585 174.600 0.259 0.000 0.951 631 S CA -0.293 57.939 58.200 0.054 0.000 0.973 631 S CB -0.063 63.150 63.200 0.022 0.000 0.778 631 S HN 0.236 nan 8.310 nan 0.000 0.477 632 Y N 1.668 122.044 120.300 0.126 0.000 2.319 632 Y HA 0.161 4.712 4.550 0.001 0.000 0.328 632 Y C 1.135 177.153 175.900 0.196 0.000 1.133 632 Y CA -0.728 57.479 58.100 0.179 0.000 1.265 632 Y CB 0.511 39.148 38.460 0.295 0.000 1.218 632 Y HN 0.324 nan 8.280 nan 0.000 0.508 633 N N 0.250 119.086 118.700 0.226 0.000 2.980 633 N HA -0.196 4.544 4.740 0.001 0.000 0.213 633 N C -0.884 174.836 175.510 0.351 0.000 0.892 633 N CA 1.016 54.185 53.050 0.198 0.000 1.025 633 N CB -0.589 38.072 38.487 0.290 0.000 1.030 633 N HN 0.499 nan 8.380 nan 0.000 0.585 634 K N 0.347 120.933 120.400 0.310 0.000 2.393 634 K HA 0.604 4.925 4.320 0.001 0.000 0.241 634 K C -0.269 176.537 176.600 0.343 0.000 1.055 634 K CA -0.781 55.678 56.287 0.287 0.000 0.951 634 K CB 1.384 33.984 32.500 0.167 0.000 1.285 634 K HN -0.057 nan 8.250 nan 0.000 0.500 635 I N 2.347 123.039 120.570 0.202 0.000 2.313 635 I HA 0.133 4.304 4.170 0.001 0.000 0.286 635 I C -0.092 176.076 176.117 0.085 0.000 1.091 635 I CA -0.556 60.838 61.300 0.157 0.000 1.216 635 I CB 0.959 38.992 38.000 0.055 0.000 1.434 635 I HN 0.638 nan 8.210 nan 0.000 0.487 636 A N 9.906 132.780 122.820 0.090 0.000 2.584 636 A HA 0.075 4.396 4.320 0.001 0.000 0.239 636 A C -1.276 176.280 177.584 -0.047 0.000 1.043 636 A CA -0.542 51.500 52.037 0.009 0.000 0.756 636 A CB -0.250 18.757 19.000 0.011 0.000 0.963 636 A HN 0.534 nan 8.150 nan 0.000 0.511 637 P HA -0.135 nan 4.420 nan 0.000 0.213 637 P C 1.714 178.906 177.300 -0.179 0.000 1.170 637 P CA 1.811 64.840 63.100 -0.118 0.000 0.889 637 P CB -0.196 31.432 31.700 -0.121 0.000 0.782 638 G N 1.061 109.618 108.800 -0.406 0.000 2.529 638 G HA2 -0.285 3.676 3.960 0.001 0.000 0.219 638 G HA3 -0.285 3.676 3.960 0.001 0.000 0.219 638 G C 1.238 176.050 174.900 -0.147 0.000 1.177 638 G CA 1.374 46.101 45.100 -0.622 0.000 0.773 638 G HN 0.592 nan 8.290 nan 0.000 0.573 639 N N -1.653 117.000 118.700 -0.079 0.000 2.204 639 N HA 0.123 4.864 4.740 0.001 0.000 0.219 639 N C 0.255 175.811 175.510 0.077 0.000 1.151 639 N CA -0.130 53.006 53.050 0.144 0.000 0.867 639 N CB 0.370 39.017 38.487 0.265 0.000 1.043 639 N HN -0.106 nan 8.380 nan 0.000 0.516 640 K N -0.676 119.742 120.400 0.030 0.000 3.088 640 K HA -0.195 4.125 4.320 0.001 0.000 0.273 640 K C -0.181 176.461 176.600 0.070 0.000 1.111 640 K CA 0.817 57.127 56.287 0.039 0.000 0.803 640 K CB -2.411 30.111 32.500 0.037 0.000 1.226 640 K HN 0.566 nan 8.250 nan 0.000 0.485 641 A N 0.562 123.429 122.820 0.078 0.000 2.425 641 A HA 0.372 4.693 4.320 0.001 0.000 0.249 641 A C -0.314 177.375 177.584 0.174 0.000 1.084 641 A CA -0.071 52.026 52.037 0.100 0.000 0.781 641 A CB 0.162 19.209 19.000 0.079 0.000 1.019 641 A HN 0.311 nan 8.150 nan 0.000 0.490 642 Y N 3.008 123.312 120.300 0.007 0.000 2.748 642 Y HA 0.508 5.059 4.550 0.002 0.000 0.359 642 Y C -1.069 174.828 175.900 -0.004 0.000 1.030 642 Y CA -1.388 56.724 58.100 0.019 0.000 1.169 642 Y CB 0.167 38.636 38.460 0.016 0.000 1.127 642 Y HN 0.482 nan 8.280 nan 0.000 0.644 643 I N 3.447 123.841 120.570 -0.294 0.000 2.325 643 I HA 0.201 4.372 4.170 0.001 0.000 0.291 643 I C 0.211 176.093 176.117 -0.392 0.000 1.019 643 I CA -0.130 60.938 61.300 -0.386 0.000 1.302 643 I CB 1.094 38.857 38.000 -0.395 0.000 1.401 643 I HN 0.460 nan 8.210 nan 0.000 0.485 644 E N 5.349 125.384 120.200 -0.276 0.000 2.313 644 E HA 0.377 4.727 4.350 0.001 0.000 0.272 644 E C -1.338 175.402 176.600 0.234 0.000 1.038 644 E CA -0.341 56.005 56.400 -0.090 0.000 0.863 644 E CB 1.331 30.987 29.700 -0.074 0.000 1.060 644 E HN 0.509 nan 8.360 nan 0.000 0.402 645 W N 1.849 123.091 121.300 -0.097 0.000 3.419 645 W HA 0.110 4.771 4.660 0.001 0.000 0.298 645 W C -1.176 175.223 176.519 -0.199 0.000 1.260 645 W CA -0.662 56.569 57.345 -0.190 0.000 1.199 645 W CB 1.688 30.989 29.460 -0.264 0.000 1.349 645 W HN 0.541 nan 8.180 nan 0.000 0.557 646 T N 1.279 115.641 114.554 -0.320 0.000 2.761 646 T HA 0.168 4.519 4.350 0.001 0.000 0.296 646 T C -0.598 174.080 174.700 -0.038 0.000 0.934 646 T CA -0.156 61.848 62.100 -0.161 0.000 1.091 646 T CB 1.475 70.206 68.868 -0.228 0.000 0.896 646 T HN 0.244 nan 8.240 nan 0.000 0.515 647 D N 4.351 124.829 120.400 0.130 0.000 2.441 647 D HA 0.317 4.957 4.640 0.001 0.000 0.231 647 D C -1.050 175.382 176.300 0.220 0.000 1.073 647 D CA -2.605 51.583 54.000 0.313 0.000 0.850 647 D CB 1.648 42.717 40.800 0.447 0.000 1.062 647 D HN 0.215 nan 8.370 nan 0.000 0.524 648 P HA -0.173 nan 4.420 nan 0.000 0.217 648 P C 1.627 179.010 177.300 0.140 0.000 1.148 648 P CA 0.887 64.073 63.100 0.143 0.000 0.834 648 P CB 0.425 32.209 31.700 0.139 0.000 0.783 649 I N -0.648 120.020 120.570 0.163 0.000 2.567 649 I HA -0.153 4.018 4.170 0.001 0.000 0.257 649 I C 2.060 178.256 176.117 0.133 0.000 1.184 649 I CA 1.370 62.752 61.300 0.137 0.000 1.451 649 I CB -0.825 37.255 38.000 0.133 0.000 1.089 649 I HN 0.013 nan 8.210 nan 0.000 0.441 650 T N 0.131 114.774 114.554 0.149 0.000 2.976 650 T HA -0.027 4.324 4.350 0.001 0.000 0.257 650 T C 1.855 176.631 174.700 0.128 0.000 1.051 650 T CA 0.583 62.771 62.100 0.146 0.000 1.141 650 T CB 0.064 69.029 68.868 0.163 0.000 0.881 650 T HN 0.240 nan 8.240 nan 0.000 0.461 651 K N 1.869 122.336 120.400 0.112 0.000 2.015 651 K HA -0.040 4.281 4.320 0.001 0.000 0.216 651 K C 1.440 178.092 176.600 0.087 0.000 1.052 651 K CA 1.415 57.757 56.287 0.090 0.000 0.937 651 K CB -0.235 32.309 32.500 0.073 0.000 0.719 651 K HN 0.231 nan 8.250 nan 0.000 0.446 652 A N 1.590 124.461 122.820 0.085 0.000 3.063 652 A HA 0.043 4.363 4.320 0.001 0.000 0.263 652 A C 1.018 178.649 177.584 0.077 0.000 1.736 652 A CA 0.144 52.226 52.037 0.076 0.000 1.408 652 A CB -0.246 18.799 19.000 0.075 0.000 1.108 652 A HN 0.288 nan 8.150 nan 0.000 0.621 653 K N 0.967 121.413 120.400 0.078 0.000 2.443 653 K HA 0.264 4.585 4.320 0.001 0.000 0.200 653 K C 1.222 177.826 176.600 0.007 0.000 1.278 653 K CA 0.017 56.347 56.287 0.071 0.000 0.925 653 K CB 0.157 32.735 32.500 0.130 0.000 1.225 653 K HN 0.526 nan 8.250 nan 0.000 0.514 654 I N 1.842 122.422 120.570 0.018 0.000 3.241 654 I HA -0.091 4.080 4.170 0.001 0.000 0.280 654 I C 0.009 176.087 176.117 -0.065 0.000 1.320 654 I CA 0.837 62.103 61.300 -0.056 0.000 1.413 654 I CB 0.116 38.133 38.000 0.030 0.000 1.060 654 I HN 0.232 nan 8.210 nan 0.000 0.500 655 N N 0.369 119.052 118.700 -0.028 0.000 2.159 655 N HA 0.114 4.854 4.740 0.001 0.000 0.217 655 N C -0.247 175.251 175.510 -0.021 0.000 1.223 655 N CA 0.262 53.300 53.050 -0.019 0.000 0.896 655 N CB 0.852 39.349 38.487 0.016 0.000 1.064 655 N HN 0.257 nan 8.380 nan 0.000 0.518 656 T N 0.137 114.677 114.554 -0.023 0.000 2.824 656 T HA 0.586 4.936 4.350 0.001 0.000 0.282 656 T C 0.397 175.066 174.700 -0.052 0.000 0.993 656 T CA -0.891 61.208 62.100 -0.003 0.000 0.967 656 T CB 1.814 70.725 68.868 0.072 0.000 0.960 656 T HN 0.112 nan 8.240 nan 0.000 0.441 657 I N 0.899 121.402 120.570 -0.112 0.000 2.395 657 I HA 0.488 4.658 4.170 0.001 0.000 0.289 657 I C -2.292 173.814 176.117 -0.019 0.000 1.023 657 I CA -2.644 58.558 61.300 -0.163 0.000 1.350 657 I CB 0.868 38.647 38.000 -0.370 0.000 1.409 657 I HN 0.345 nan 8.210 nan 0.000 0.507 658 P HA -0.035 nan 4.420 nan 0.000 0.265 658 P C 0.080 177.362 177.300 -0.031 0.000 1.187 658 P CA 0.153 63.256 63.100 0.005 0.000 0.766 658 P CB 0.823 32.585 31.700 0.102 0.000 0.820 659 T N 0.674 115.139 114.554 -0.149 0.000 2.732 659 T HA 0.059 4.410 4.350 0.001 0.000 0.287 659 T C 1.609 176.318 174.700 0.016 0.000 0.993 659 T CA 0.221 62.213 62.100 -0.180 0.000 0.966 659 T CB 0.277 68.954 68.868 -0.317 0.000 1.047 659 T HN 0.418 nan 8.240 nan 0.000 0.527 660 S N 0.452 116.180 115.700 0.047 0.000 2.344 660 S HA -0.078 4.393 4.470 0.001 0.000 0.217 660 S C 2.379 177.081 174.600 0.171 0.000 1.033 660 S CA 1.778 60.053 58.200 0.125 0.000 1.017 660 S CB -1.181 62.077 63.200 0.097 0.000 0.941 660 S HN 0.836 nan 8.310 nan 0.000 0.430 661 A N 1.117 123.989 122.820 0.087 0.000 1.884 661 A HA -0.260 4.061 4.320 0.001 0.000 0.219 661 A C 2.052 179.685 177.584 0.082 0.000 1.197 661 A CA 2.361 54.438 52.037 0.066 0.000 0.637 661 A CB -1.255 17.758 19.000 0.021 0.000 0.827 661 A HN 0.794 nan 8.150 nan 0.000 0.450 662 E N -1.757 118.490 120.200 0.077 0.000 2.130 662 E HA -0.237 4.114 4.350 0.001 0.000 0.196 662 E C 1.678 178.393 176.600 0.192 0.000 0.998 662 E CA 1.478 57.936 56.400 0.096 0.000 0.806 662 E CB -0.246 29.495 29.700 0.068 0.000 0.738 662 E HN 0.631 nan 8.360 nan 0.000 0.459 663 F N 0.161 120.155 119.950 0.074 0.000 2.325 663 F HA -0.048 4.480 4.527 0.001 0.000 0.299 663 F C 1.632 177.500 175.800 0.114 0.000 1.090 663 F CA 0.578 58.664 58.000 0.144 0.000 1.392 663 F CB 0.077 39.154 39.000 0.129 0.000 1.053 663 F HN 0.051 nan 8.300 nan 0.000 0.521 664 I N 0.509 121.112 120.570 0.055 0.000 2.277 664 I HA -0.167 4.004 4.170 0.001 0.000 0.243 664 I C 2.223 178.280 176.117 -0.100 0.000 1.094 664 I CA 1.224 62.487 61.300 -0.062 0.000 1.393 664 I CB -0.836 37.175 38.000 0.018 0.000 1.078 664 I HN -0.060 nan 8.210 nan 0.000 0.417 665 K N 0.423 120.795 120.400 -0.047 0.000 2.074 665 K HA -0.204 4.117 4.320 0.001 0.000 0.209 665 K C 1.777 178.302 176.600 -0.126 0.000 1.048 665 K CA 2.018 58.267 56.287 -0.064 0.000 0.926 665 K CB -0.520 31.964 32.500 -0.027 0.000 0.713 665 K HN 0.448 nan 8.250 nan 0.000 0.444 666 N N 0.557 119.171 118.700 -0.143 0.000 2.364 666 N HA -0.103 4.638 4.740 0.001 0.000 0.183 666 N C 1.561 176.782 175.510 -0.482 0.000 1.022 666 N CA 0.504 53.380 53.050 -0.291 0.000 0.883 666 N CB 0.024 38.385 38.487 -0.209 0.000 0.965 666 N HN 0.115 nan 8.380 nan 0.000 0.438 667 L N -0.355 120.634 121.223 -0.390 0.000 2.307 667 L HA 0.006 4.347 4.340 0.001 0.000 0.211 667 L C 2.317 179.059 176.870 -0.214 0.000 1.099 667 L CA 0.179 54.813 54.840 -0.344 0.000 0.816 667 L CB -0.245 41.649 42.059 -0.275 0.000 0.952 667 L HN 0.164 nan 8.230 nan 0.000 0.455 668 S N 0.654 116.250 115.700 -0.174 0.000 2.412 668 S HA -0.152 4.319 4.470 0.001 0.000 0.199 668 S C 1.498 176.018 174.600 -0.133 0.000 1.099 668 S CA 1.153 59.284 58.200 -0.116 0.000 1.243 668 S CB -0.377 62.770 63.200 -0.088 0.000 0.996 668 S HN 0.451 nan 8.310 nan 0.000 0.402 669 S N 1.290 116.912 115.700 -0.130 0.000 3.597 669 S HA 0.140 4.610 4.470 0.001 0.000 0.208 669 S C 0.409 174.904 174.600 -0.175 0.000 1.091 669 S CA 0.303 58.427 58.200 -0.125 0.000 1.103 669 S CB -0.972 62.168 63.200 -0.101 0.000 1.369 669 S HN 0.623 nan 8.310 nan 0.000 0.447 670 I N -0.848 119.599 120.570 -0.205 0.000 4.162 670 I HA 0.313 4.484 4.170 0.001 0.000 0.360 670 I C 0.528 176.540 176.117 -0.175 0.000 1.252 670 I CA -0.364 60.775 61.300 -0.267 0.000 1.131 670 I CB 0.466 38.168 38.000 -0.497 0.000 2.092 670 I HN 0.218 nan 8.210 nan 0.000 0.713 671 R N 1.374 121.829 120.500 -0.074 0.000 3.907 671 R HA 0.203 4.544 4.340 0.001 0.000 0.241 671 R C 1.567 177.878 176.300 0.019 0.000 1.784 671 R CA 0.072 56.192 56.100 0.032 0.000 1.509 671 R CB -0.442 29.866 30.300 0.013 0.000 1.275 671 R HN 0.229 nan 8.270 nan 0.000 0.642 672 R N -0.484 120.020 120.500 0.006 0.000 2.097 672 R HA -0.099 4.242 4.340 0.001 0.000 0.236 672 R C 1.066 177.373 176.300 0.011 0.000 1.135 672 R CA 1.688 57.787 56.100 -0.002 0.000 0.934 672 R CB -1.213 29.081 30.300 -0.010 0.000 0.846 672 R HN 0.456 nan 8.270 nan 0.000 0.431 696 K N 1.841 122.228 120.400 -0.022 0.000 3.584 696 K HA -0.196 4.125 4.320 0.001 0.000 0.300 696 K C 0.310 176.743 176.600 -0.278 0.000 1.285 696 K CA 1.517 57.724 56.287 -0.133 0.000 1.008 696 K CB -1.077 31.320 32.500 -0.171 0.000 1.271 696 K HN 0.757 nan 8.250 nan 0.000 0.447 697 I N 0.292 120.736 120.570 -0.210 0.000 2.617 697 I HA -0.118 4.053 4.170 0.001 0.000 0.256 697 I C 2.326 178.263 176.117 -0.299 0.000 1.167 697 I CA 1.020 62.101 61.300 -0.365 0.000 1.469 697 I CB -0.247 37.511 38.000 -0.404 0.000 1.098 697 I HN 0.348 nan 8.210 nan 0.000 0.436 698 A N 1.151 123.930 122.820 -0.069 0.000 2.076 698 A HA -0.103 4.218 4.320 0.001 0.000 0.220 698 A C 2.352 179.941 177.584 0.007 0.000 1.160 698 A CA 1.766 53.827 52.037 0.039 0.000 0.653 698 A CB -1.095 18.023 19.000 0.197 0.000 0.801 698 A HN 0.460 nan 8.150 nan 0.000 0.455 699 G N -1.365 107.417 108.800 -0.030 0.000 2.454 699 G HA2 -0.183 3.778 3.960 0.001 0.000 0.214 699 G HA3 -0.183 3.778 3.960 0.001 0.000 0.214 699 G C 1.380 176.380 174.900 0.167 0.000 1.217 699 G CA 0.855 45.986 45.100 0.051 0.000 0.799 699 G HN 0.642 nan 8.290 nan 0.000 0.538 700 Y N 0.378 120.636 120.300 -0.071 0.000 2.639 700 Y HA -0.004 4.547 4.550 0.001 0.000 0.289 700 Y C 2.384 178.253 175.900 -0.051 0.000 1.155 700 Y CA -0.243 57.807 58.100 -0.084 0.000 1.379 700 Y CB -0.068 38.304 38.460 -0.148 0.000 0.967 700 Y HN 0.126 nan 8.280 nan 0.000 0.569 701 L N -2.018 119.268 121.223 0.105 0.000 2.470 701 L HA -0.033 4.308 4.340 0.001 0.000 0.219 701 L C 2.219 179.212 176.870 0.206 0.000 1.071 701 L CA 0.337 55.239 54.840 0.104 0.000 0.850 701 L CB -0.054 41.989 42.059 -0.027 0.000 1.040 701 L HN -0.072 nan 8.230 nan 0.000 0.475 702 S N -0.713 115.077 115.700 0.150 0.000 2.593 702 S HA -0.041 4.430 4.470 0.001 0.000 0.217 702 S C 1.065 175.750 174.600 0.141 0.000 0.966 702 S CA 0.344 58.632 58.200 0.146 0.000 0.914 702 S CB -0.007 63.250 63.200 0.095 0.000 0.776 702 S HN 0.306 nan 8.310 nan 0.000 0.523 703 D N -0.284 120.203 120.400 0.146 0.000 2.369 703 D HA 0.082 4.723 4.640 0.001 0.000 0.231 703 D C 1.338 177.687 176.300 0.081 0.000 0.967 703 D CA 0.599 54.650 54.000 0.085 0.000 0.905 703 D CB -0.502 40.329 40.800 0.051 0.000 1.044 703 D HN 0.450 nan 8.370 nan 0.000 0.487 704 Y N 0.672 120.961 120.300 -0.020 0.000 2.053 704 Y HA -0.258 4.293 4.550 0.001 0.000 0.277 704 Y C 0.571 176.368 175.900 -0.172 0.000 1.159 704 Y CA 1.559 59.584 58.100 -0.126 0.000 1.125 704 Y CB -0.263 38.097 38.460 -0.166 0.000 0.969 704 Y HN -0.056 nan 8.280 nan 0.000 0.492 705 Y N 1.397 121.841 120.300 0.240 0.000 2.830 705 Y HA 0.126 4.676 4.550 0.001 0.000 0.371 705 Y C 0.088 176.007 175.900 0.031 0.000 1.246 705 Y CA -0.539 57.637 58.100 0.126 0.000 1.890 705 Y CB -0.829 37.719 38.460 0.147 0.000 1.995 705 Y HN 0.081 nan 8.280 nan 0.000 0.430 706 N N 0.830 119.563 118.700 0.054 0.000 2.521 706 N HA -0.039 4.702 4.740 0.001 0.000 0.236 706 N C 1.199 176.696 175.510 -0.020 0.000 1.067 706 N CA 0.237 53.294 53.050 0.011 0.000 0.939 706 N CB 1.076 39.537 38.487 -0.043 0.000 1.201 706 N HN 0.330 nan 8.380 nan 0.000 0.511 707 S N 2.568 118.270 115.700 0.004 0.000 2.484 707 S HA -0.153 4.318 4.470 0.001 0.000 0.250 707 S C 1.015 175.578 174.600 -0.061 0.000 0.995 707 S CA 1.192 59.374 58.200 -0.030 0.000 0.967 707 S CB -0.083 63.089 63.200 -0.047 0.000 0.752 707 S HN 0.623 nan 8.310 nan 0.000 0.517 708 A N 0.715 123.503 122.820 -0.055 0.000 3.105 708 A HA 0.449 4.770 4.320 0.001 0.000 0.272 708 A C 0.782 178.248 177.584 -0.198 0.000 1.466 708 A CA -0.446 51.586 52.037 -0.008 0.000 1.101 708 A CB -0.371 18.605 19.000 -0.039 0.000 1.065 708 A HN 0.461 nan 8.150 nan 0.000 0.643 709 N N -0.131 118.450 118.700 -0.198 0.000 2.210 709 N HA -0.007 4.734 4.740 0.001 0.000 0.203 709 N C 1.427 176.785 175.510 -0.254 0.000 1.175 709 N CA 0.311 53.076 53.050 -0.475 0.000 0.894 709 N CB -0.129 38.208 38.487 -0.250 0.000 1.041 709 N HN 0.754 nan 8.380 nan 0.000 0.506 710 H N 0.885 119.830 119.070 -0.208 0.000 2.561 710 H HA -0.057 4.500 4.556 0.001 0.000 0.289 710 H C 1.202 176.492 175.328 -0.064 0.000 1.054 710 H CA 0.851 56.840 56.048 -0.100 0.000 1.210 710 H CB -0.402 29.318 29.762 -0.070 0.000 1.353 710 H HN 0.445 nan 8.280 nan 0.000 0.601 711 I N -4.492 115.818 120.570 -0.432 0.000 4.187 711 I HA 0.283 4.454 4.170 0.001 0.000 0.326 711 I C 0.395 176.585 176.117 0.121 0.000 1.302 711 I CA -0.510 60.625 61.300 -0.276 0.000 1.196 711 I CB -0.005 37.808 38.000 -0.312 0.000 1.095 711 I HN -0.144 nan 8.210 nan 0.000 0.411 712 F N 2.806 122.701 119.950 -0.091 0.000 2.378 712 F HA 0.365 4.893 4.527 0.001 0.000 0.319 712 F C 1.132 176.906 175.800 -0.044 0.000 1.155 712 F CA -1.146 56.821 58.000 -0.055 0.000 1.157 712 F CB 1.309 40.285 39.000 -0.040 0.000 1.252 712 F HN 0.083 nan 8.300 nan 0.000 0.550 713 S N 0.620 116.410 115.700 0.150 0.000 2.578 713 S HA 0.148 4.618 4.470 0.001 0.000 0.283 713 S C 0.557 175.188 174.600 0.053 0.000 1.195 713 S CA -0.987 57.250 58.200 0.061 0.000 1.050 713 S CB 1.853 65.058 63.200 0.009 0.000 1.012 713 S HN 0.542 nan 8.310 nan 0.000 0.511 714 Q N 1.769 121.587 119.800 0.030 0.000 2.082 714 Q HA -0.279 4.062 4.340 0.001 0.000 0.211 714 Q C 1.991 177.985 176.000 -0.009 0.000 1.002 714 Q CA 2.504 58.312 55.803 0.008 0.000 0.868 714 Q CB -1.104 27.634 28.738 -0.001 0.000 0.931 714 Q HN 1.055 nan 8.270 nan 0.000 0.414 715 E N 1.380 121.571 120.200 -0.015 0.000 2.068 715 E HA -0.282 4.069 4.350 0.001 0.000 0.207 715 E C 1.970 178.550 176.600 -0.033 0.000 1.032 715 E CA 2.368 58.750 56.400 -0.030 0.000 0.839 715 E CB -0.266 29.412 29.700 -0.038 0.000 0.758 715 E HN 0.365 nan 8.360 nan 0.000 0.457 716 K N 0.255 120.631 120.400 -0.041 0.000 2.002 716 K HA -0.183 4.138 4.320 0.001 0.000 0.209 716 K C 2.197 178.826 176.600 0.048 0.000 1.048 716 K CA 1.770 58.023 56.287 -0.057 0.000 0.930 716 K CB -0.094 32.267 32.500 -0.232 0.000 0.714 716 K HN 0.075 nan 8.250 nan 0.000 0.438 717 K N 0.410 120.868 120.400 0.097 0.000 2.015 717 K HA -0.219 4.102 4.320 0.001 0.000 0.220 717 K C 2.140 178.736 176.600 -0.007 0.000 1.055 717 K CA 2.317 58.652 56.287 0.081 0.000 0.951 717 K CB -0.270 32.250 32.500 0.033 0.000 0.725 717 K HN 0.173 nan 8.250 nan 0.000 0.449 718 R N 0.772 121.250 120.500 -0.036 0.000 2.211 718 R HA -0.130 4.211 4.340 0.001 0.000 0.240 718 R C 2.047 178.358 176.300 0.019 0.000 1.144 718 R CA 1.035 57.100 56.100 -0.059 0.000 0.992 718 R CB -0.088 30.150 30.300 -0.104 0.000 0.869 718 R HN 0.137 nan 8.270 nan 0.000 0.462 719 K N 0.949 121.394 120.400 0.075 0.000 2.025 719 K HA -0.019 4.302 4.320 0.001 0.000 0.211 719 K C 2.192 178.999 176.600 0.344 0.000 1.029 719 K CA 1.177 57.592 56.287 0.213 0.000 0.948 719 K CB -0.772 31.812 32.500 0.140 0.000 0.768 719 K HN 0.216 nan 8.250 nan 0.000 0.446 720 I N -0.021 120.744 120.570 0.325 0.000 2.290 720 I HA -0.295 3.876 4.170 0.001 0.000 0.253 720 I C 1.845 178.044 176.117 0.137 0.000 1.112 720 I CA 1.708 63.198 61.300 0.315 0.000 1.377 720 I CB -0.490 37.633 38.000 0.206 0.000 1.060 720 I HN -0.113 nan 8.210 nan 0.000 0.428 721 S N 1.359 117.052 115.700 -0.011 0.000 2.377 721 S HA 0.098 4.569 4.470 0.001 0.000 0.223 721 S C 2.016 176.587 174.600 -0.047 0.000 1.030 721 S CA 1.197 59.245 58.200 -0.252 0.000 0.970 721 S CB -0.318 62.561 63.200 -0.535 0.000 0.830 721 S HN 0.442 nan 8.310 nan 0.000 0.473 722 I N 0.578 121.178 120.570 0.051 0.000 2.335 722 I HA -0.199 3.972 4.170 0.001 0.000 0.251 722 I C 2.084 178.188 176.117 -0.022 0.000 1.129 722 I CA 1.204 62.542 61.300 0.064 0.000 1.402 722 I CB -0.216 37.885 38.000 0.168 0.000 1.069 722 I HN 0.226 nan 8.210 nan 0.000 0.424 723 F N 1.892 121.716 119.950 -0.210 0.000 2.037 723 F HA -0.136 4.392 4.527 0.001 0.000 0.291 723 F C 2.632 178.267 175.800 -0.274 0.000 1.137 723 F CA 1.473 59.194 58.000 -0.464 0.000 1.178 723 F CB -0.585 38.150 39.000 -0.442 0.000 0.995 723 F HN -0.209 nan 8.300 nan 0.000 0.472 724 R N -0.058 120.312 120.500 -0.217 0.000 2.204 724 R HA -0.197 4.144 4.340 0.001 0.000 0.253 724 R C 2.348 178.530 176.300 -0.198 0.000 1.172 724 R CA 1.180 57.109 56.100 -0.285 0.000 0.994 724 R CB -1.151 29.092 30.300 -0.095 0.000 0.874 724 R HN 0.541 nan 8.270 nan 0.000 0.462 725 G N 0.313 109.064 108.800 -0.081 0.000 2.408 725 G HA2 -0.136 3.825 3.960 0.001 0.000 0.215 725 G HA3 -0.136 3.825 3.960 0.001 0.000 0.215 725 G C 1.361 176.141 174.900 -0.200 0.000 1.156 725 G CA 0.238 45.300 45.100 -0.064 0.000 0.793 725 G HN 0.190 nan 8.290 nan 0.000 0.535 726 I N 0.014 120.397 120.570 -0.310 0.000 2.876 726 I HA -0.063 4.108 4.170 0.001 0.000 0.264 726 I C 2.807 178.745 176.117 -0.298 0.000 1.204 726 I CA 0.294 61.413 61.300 -0.302 0.000 1.485 726 I CB -0.086 37.712 38.000 -0.337 0.000 1.103 726 I HN 0.128 nan 8.210 nan 0.000 0.446 727 Q N 1.098 120.577 119.800 -0.535 0.000 2.045 727 Q HA -0.245 4.095 4.340 0.001 0.000 0.206 727 Q C 2.486 178.477 176.000 -0.015 0.000 0.991 727 Q CA 2.292 57.743 55.803 -0.585 0.000 0.851 727 Q CB -0.238 27.832 28.738 -1.113 0.000 0.911 727 Q HN 0.577 nan 8.270 nan 0.000 0.418 728 A N -0.105 122.756 122.820 0.068 0.000 1.898 728 A HA -0.195 4.126 4.320 0.001 0.000 0.216 728 A C 1.882 179.429 177.584 -0.061 0.000 1.181 728 A CA 1.246 53.349 52.037 0.111 0.000 0.620 728 A CB -0.998 17.980 19.000 -0.037 0.000 0.819 728 A HN 0.496 nan 8.150 nan 0.000 0.442 729 Y N 1.301 121.476 120.300 -0.207 0.000 2.538 729 Y HA -0.252 4.299 4.550 0.002 0.000 0.287 729 Y C 1.943 177.731 175.900 -0.186 0.000 1.157 729 Y CA 1.567 59.520 58.100 -0.245 0.000 1.338 729 Y CB -0.483 37.777 38.460 -0.333 0.000 0.970 729 Y HN 0.482 nan 8.280 nan 0.000 0.564 730 N N -0.311 118.303 118.700 -0.142 0.000 2.178 730 N HA -0.131 4.610 4.740 0.001 0.000 0.189 730 N C 1.789 177.194 175.510 -0.175 0.000 1.048 730 N CA 1.338 54.312 53.050 -0.126 0.000 0.855 730 N CB -0.269 38.221 38.487 0.006 0.000 1.028 730 N HN 0.115 nan 8.380 nan 0.000 0.441 731 E N 0.345 120.458 120.200 -0.144 0.000 2.233 731 E HA -0.134 4.217 4.350 0.001 0.000 0.199 731 E C 0.776 177.201 176.600 -0.292 0.000 1.004 731 E CA 0.773 57.044 56.400 -0.215 0.000 0.819 731 E CB -0.201 29.310 29.700 -0.315 0.000 0.738 731 E HN 0.544 nan 8.360 nan 0.000 0.478 732 I N 0.484 120.832 120.570 -0.370 0.000 3.784 732 I HA -0.009 4.162 4.170 0.001 0.000 0.314 732 I C 1.207 177.096 176.117 -0.380 0.000 1.401 732 I CA 0.232 61.239 61.300 -0.489 0.000 1.254 732 I CB 0.051 37.748 38.000 -0.506 0.000 1.165 732 I HN -0.081 nan 8.210 nan 0.000 0.420 733 E N 0.500 120.526 120.200 -0.290 0.000 2.652 733 E HA 0.035 4.386 4.350 0.001 0.000 0.197 733 E C 1.119 177.656 176.600 -0.104 0.000 0.936 733 E CA 0.297 56.561 56.400 -0.226 0.000 1.638 733 E CB 0.093 29.583 29.700 -0.351 0.000 1.884 733 E HN 0.124 nan 8.360 nan 0.000 1.005 734 N N -0.233 118.406 118.700 -0.101 0.000 2.571 734 N HA -0.013 4.728 4.740 0.001 0.000 0.189 734 N C 0.939 176.444 175.510 -0.008 0.000 1.154 734 N CA 0.887 53.910 53.050 -0.044 0.000 0.907 734 N CB 0.546 39.003 38.487 -0.049 0.000 0.977 734 N HN 0.059 nan 8.380 nan 0.000 0.449 735 V N -0.613 119.305 119.914 0.007 0.000 2.854 735 V HA 0.094 4.215 4.120 0.001 0.000 0.236 735 V C 1.772 177.943 176.094 0.128 0.000 1.157 735 V CA 0.250 62.610 62.300 0.100 0.000 1.187 735 V CB -0.076 31.874 31.823 0.212 0.000 0.949 735 V HN 0.201 nan 8.190 nan 0.000 0.488 736 L N 0.572 121.875 121.223 0.134 0.000 2.642 736 L HA -0.072 4.269 4.340 0.001 0.000 0.236 736 L C 1.863 178.775 176.870 0.070 0.000 1.169 736 L CA 1.530 56.443 54.840 0.122 0.000 0.851 736 L CB -0.637 41.487 42.059 0.110 0.000 0.968 736 L HN 0.323 nan 8.230 nan 0.000 0.453 737 K N -1.390 119.040 120.400 0.050 0.000 2.402 737 K HA 0.121 4.442 4.320 0.001 0.000 0.204 737 K C 0.912 177.535 176.600 0.038 0.000 1.056 737 K CA -0.053 56.257 56.287 0.039 0.000 1.069 737 K CB 0.521 33.037 32.500 0.028 0.000 0.888 737 K HN 0.015 nan 8.250 nan 0.000 0.546 738 S N -0.193 115.534 115.700 0.044 0.000 2.566 738 S HA 0.320 4.791 4.470 0.001 0.000 0.277 738 S C -0.431 174.189 174.600 0.034 0.000 1.150 738 S CA -0.567 57.656 58.200 0.038 0.000 1.032 738 S CB 0.372 63.597 63.200 0.042 0.000 1.157 738 S HN 0.125 nan 8.310 nan 0.000 0.507 739 K N 0.993 121.408 120.400 0.025 0.000 2.518 739 K HA 0.044 4.365 4.320 0.001 0.000 0.276 739 K C -0.913 175.697 176.600 0.017 0.000 0.974 739 K CA 0.756 57.052 56.287 0.016 0.000 0.986 739 K CB 0.074 32.577 32.500 0.006 0.000 0.901 739 K HN 0.375 nan 8.250 nan 0.000 0.497 740 Q N 3.373 123.180 119.800 0.011 0.000 2.279 740 Q HA 0.266 4.607 4.340 0.001 0.000 0.256 740 Q C 0.247 176.241 176.000 -0.010 0.000 0.937 740 Q CA -0.149 55.660 55.803 0.010 0.000 0.933 740 Q CB 1.136 29.878 28.738 0.006 0.000 1.189 740 Q HN 0.574 nan 8.270 nan 0.000 0.417 741 I N 0.240 120.794 120.570 -0.027 0.000 3.345 741 I HA 0.412 4.583 4.170 0.001 0.000 0.258 741 I C -0.077 175.991 176.117 -0.081 0.000 1.134 741 I CA 0.332 61.593 61.300 -0.066 0.000 1.457 741 I CB -0.068 37.879 38.000 -0.089 0.000 1.425 741 I HN 0.518 nan 8.210 nan 0.000 0.461 742 A N 1.093 123.863 122.820 -0.084 0.000 2.442 742 A HA 0.609 4.930 4.320 0.001 0.000 0.284 742 A C -2.267 175.330 177.584 0.022 0.000 1.058 742 A CA -0.735 51.274 52.037 -0.047 0.000 0.738 742 A CB 0.928 19.863 19.000 -0.108 0.000 1.242 742 A HN -0.013 nan 8.150 nan 0.000 0.421 743 P HA -0.098 nan 4.420 nan 0.000 0.231 743 P C 1.010 178.335 177.300 0.042 0.000 1.158 743 P CA 1.028 64.147 63.100 0.031 0.000 0.763 743 P CB 0.468 32.180 31.700 0.019 0.000 0.805 744 E N -1.701 118.548 120.200 0.081 0.000 2.086 744 E HA -0.086 4.265 4.350 0.001 0.000 0.190 744 E C 1.505 178.110 176.600 0.008 0.000 0.975 744 E CA 1.174 57.605 56.400 0.052 0.000 0.813 744 E CB -0.474 29.279 29.700 0.088 0.000 0.768 744 E HN 0.400 nan 8.360 nan 0.000 0.457 745 Y N 1.431 121.637 120.300 -0.157 0.000 2.365 745 Y HA -0.022 4.529 4.550 0.002 0.000 0.293 745 Y C 2.333 178.049 175.900 -0.307 0.000 1.119 745 Y CA 0.533 58.472 58.100 -0.269 0.000 1.203 745 Y CB -0.124 38.119 38.460 -0.361 0.000 1.026 745 Y HN -0.103 nan 8.280 nan 0.000 0.549 746 K N 1.248 121.634 120.400 -0.023 0.000 2.147 746 K HA -0.221 4.100 4.320 0.001 0.000 0.205 746 K C 1.185 177.820 176.600 0.059 0.000 1.049 746 K CA 1.355 57.642 56.287 0.001 0.000 0.936 746 K CB -0.612 31.912 32.500 0.040 0.000 0.722 746 K HN 0.466 nan 8.250 nan 0.000 0.446 747 N N -0.600 118.131 118.700 0.052 0.000 2.515 747 N HA -0.130 4.610 4.740 0.001 0.000 0.191 747 N C 0.973 176.564 175.510 0.135 0.000 1.182 747 N CA -0.004 53.088 53.050 0.070 0.000 0.879 747 N CB 0.135 38.637 38.487 0.025 0.000 0.984 747 N HN 0.204 nan 8.380 nan 0.000 0.453 748 Y N -0.473 119.822 120.300 -0.009 0.000 2.576 748 Y HA 0.246 4.796 4.550 0.001 0.000 0.282 748 Y C 1.281 177.374 175.900 0.322 0.000 1.139 748 Y CA 0.393 58.540 58.100 0.077 0.000 1.265 748 Y CB -0.529 37.885 38.460 -0.076 0.000 1.376 748 Y HN -0.032 nan 8.280 nan 0.000 0.511 749 F N 1.861 121.843 119.950 0.052 0.000 2.250 749 F HA -0.292 4.235 4.527 0.001 0.000 0.301 749 F C 2.480 178.265 175.800 -0.024 0.000 1.077 749 F CA 1.057 59.023 58.000 -0.055 0.000 1.348 749 F CB -0.132 38.902 39.000 0.056 0.000 1.040 749 F HN 0.330 nan 8.300 nan 0.000 0.509 750 Q N 0.166 120.106 119.800 0.233 0.000 2.050 750 Q HA -0.281 4.059 4.340 0.001 0.000 0.202 750 Q C 2.047 178.161 176.000 0.190 0.000 0.980 750 Q CA 1.769 57.678 55.803 0.178 0.000 0.840 750 Q CB -1.086 27.746 28.738 0.157 0.000 0.898 750 Q HN 0.434 nan 8.270 nan 0.000 0.424 751 Y N 1.665 121.985 120.300 0.033 0.000 2.049 751 Y HA -0.245 4.306 4.550 0.001 0.000 0.277 751 Y C 2.087 177.967 175.900 -0.034 0.000 1.143 751 Y CA 1.568 59.675 58.100 0.011 0.000 1.115 751 Y CB -0.662 37.818 38.460 0.033 0.000 0.975 751 Y HN 0.120 nan 8.280 nan 0.000 0.487 752 L N -0.002 121.181 121.223 -0.067 0.000 2.011 752 L HA -0.418 3.923 4.340 0.001 0.000 0.225 752 L C 2.532 179.339 176.870 -0.105 0.000 1.084 752 L CA 2.241 56.974 54.840 -0.178 0.000 0.791 752 L CB -0.805 41.129 42.059 -0.209 0.000 0.898 752 L HN 0.231 nan 8.230 nan 0.000 0.440 753 K N -0.123 120.277 120.400 0.000 0.000 1.981 753 K HA -0.334 3.987 4.320 0.001 0.000 0.228 753 K C 1.975 178.596 176.600 0.034 0.000 1.050 753 K CA 2.344 58.706 56.287 0.124 0.000 1.001 753 K CB -0.443 32.164 32.500 0.177 0.000 0.738 753 K HN 0.291 nan 8.250 nan 0.000 0.447 754 E N 0.543 120.757 120.200 0.023 0.000 2.169 754 E HA -0.284 4.066 4.350 0.001 0.000 0.202 754 E C 2.099 178.631 176.600 -0.114 0.000 1.016 754 E CA 1.457 57.844 56.400 -0.021 0.000 0.817 754 E CB 0.120 29.838 29.700 0.030 0.000 0.736 754 E HN 0.204 nan 8.360 nan 0.000 0.462 755 R N -0.114 120.259 120.500 -0.211 0.000 2.060 755 R HA -0.075 4.266 4.340 0.001 0.000 0.225 755 R C 2.498 178.683 176.300 -0.192 0.000 1.155 755 R CA 1.196 57.142 56.100 -0.257 0.000 0.930 755 R CB -0.440 29.628 30.300 -0.387 0.000 0.829 755 R HN 0.270 nan 8.270 nan 0.000 0.433 756 I N 1.116 121.574 120.570 -0.187 0.000 2.229 756 I HA -0.329 3.842 4.170 0.001 0.000 0.250 756 I C 2.192 178.173 176.117 -0.227 0.000 1.096 756 I CA 1.718 62.902 61.300 -0.192 0.000 1.358 756 I CB -1.244 36.684 38.000 -0.120 0.000 1.047 756 I HN 0.287 nan 8.210 nan 0.000 0.422 757 T N 0.706 115.124 114.554 -0.227 0.000 2.614 757 T HA -0.164 4.187 4.350 0.001 0.000 0.263 757 T C 1.718 176.325 174.700 -0.156 0.000 1.055 757 T CA 1.802 63.737 62.100 -0.275 0.000 1.162 757 T CB -0.411 68.330 68.868 -0.212 0.000 0.863 757 T HN 0.420 nan 8.240 nan 0.000 0.414 758 N N 0.422 119.061 118.700 -0.101 0.000 2.091 758 N HA -0.232 4.508 4.740 0.001 0.000 0.193 758 N C 2.099 177.583 175.510 -0.042 0.000 1.021 758 N CA 1.429 54.449 53.050 -0.051 0.000 0.862 758 N CB -0.143 38.316 38.487 -0.047 0.000 1.018 758 N HN 0.321 nan 8.380 nan 0.000 0.429 759 Q N 1.215 120.970 119.800 -0.075 0.000 2.016 759 Q HA -0.089 4.252 4.340 0.001 0.000 0.200 759 Q C 1.972 177.954 176.000 -0.029 0.000 0.978 759 Q CA 1.397 57.173 55.803 -0.045 0.000 0.833 759 Q CB -0.278 28.410 28.738 -0.083 0.000 0.895 759 Q HN 0.134 nan 8.270 nan 0.000 0.427 760 V N 0.860 120.723 119.914 -0.086 0.000 2.231 760 V HA -0.301 3.820 4.120 0.001 0.000 0.248 760 V C 2.306 178.362 176.094 -0.063 0.000 1.054 760 V CA 2.215 64.451 62.300 -0.106 0.000 1.015 760 V CB -0.987 30.684 31.823 -0.254 0.000 0.638 760 V HN 0.477 nan 8.190 nan 0.000 0.444 761 Q N -0.558 119.220 119.800 -0.036 0.000 2.576 761 Q HA -0.150 4.191 4.340 0.001 0.000 0.218 761 Q C 1.566 177.644 176.000 0.130 0.000 0.983 761 Q CA 1.355 57.239 55.803 0.136 0.000 0.920 761 Q CB -0.359 28.502 28.738 0.206 0.000 0.973 761 Q HN 0.662 nan 8.270 nan 0.000 0.528 762 L N -1.781 119.492 121.223 0.083 0.000 2.425 762 L HA 0.185 4.526 4.340 0.001 0.000 0.215 762 L C 1.531 178.485 176.870 0.141 0.000 1.065 762 L CA 0.418 55.322 54.840 0.106 0.000 0.842 762 L CB 0.106 42.209 42.059 0.075 0.000 1.033 762 L HN 0.239 nan 8.230 nan 0.000 0.474 763 L N -0.907 120.359 121.223 0.073 0.000 2.005 763 L HA -0.181 4.159 4.340 0.001 0.000 0.207 763 L C 2.251 179.168 176.870 0.079 0.000 1.072 763 L CA 1.248 56.086 54.840 -0.003 0.000 0.744 763 L CB -0.589 41.455 42.059 -0.026 0.000 0.895 763 L HN 0.199 nan 8.230 nan 0.000 0.433 764 L N -0.315 120.974 121.223 0.111 0.000 2.447 764 L HA -0.149 4.192 4.340 0.001 0.000 0.225 764 L C 1.569 178.571 176.870 0.220 0.000 1.148 764 L CA 0.722 55.660 54.840 0.164 0.000 0.808 764 L CB -0.733 41.442 42.059 0.192 0.000 0.928 764 L HN 0.258 nan 8.230 nan 0.000 0.448 765 T N -1.801 112.905 114.554 0.252 0.000 3.584 765 T HA -0.039 4.312 4.350 0.001 0.000 0.252 765 T C 0.690 175.489 174.700 0.165 0.000 1.103 765 T CA 0.462 62.677 62.100 0.192 0.000 0.977 765 T CB -0.401 68.553 68.868 0.144 0.000 1.044 765 T HN 0.365 nan 8.240 nan 0.000 0.589 766 H N -0.582 118.515 119.070 0.046 0.000 3.266 766 H HA 0.356 4.913 4.556 0.001 0.000 0.246 766 H C 0.810 176.153 175.328 0.025 0.000 0.998 766 H CA 0.096 56.162 56.048 0.030 0.000 1.152 766 H CB 0.614 30.391 29.762 0.025 0.000 1.466 766 H HN 0.236 nan 8.280 nan 0.000 0.481 774 K N 4.641 124.442 120.400 -0.998 0.000 2.618 774 K HA 0.420 4.741 4.320 0.001 0.000 0.205 774 K C -0.571 175.247 176.600 -1.303 0.000 1.445 774 K CA 0.269 55.696 56.287 -1.435 0.000 1.034 774 K CB 0.579 32.768 32.500 -0.519 0.000 1.209 774 K HN 0.705 nan 8.250 nan 0.000 0.627 775 L N 1.428 122.157 121.223 -0.823 0.000 3.664 775 L HA 0.264 4.605 4.340 0.001 0.000 0.341 775 L C -0.670 176.400 176.870 0.334 0.000 1.247 775 L CA -0.312 54.479 54.840 -0.082 0.000 1.133 775 L CB 0.959 42.997 42.059 -0.034 0.000 1.498 775 L HN -0.041 nan 8.230 nan 0.000 0.628 776 L N 1.023 122.607 121.223 0.602 0.000 2.400 776 L HA -0.017 4.324 4.340 0.001 0.000 0.262 776 L C 0.427 177.607 176.870 0.518 0.000 1.309 776 L CA 1.087 56.249 54.840 0.537 0.000 1.186 776 L CB -0.991 41.404 42.059 0.560 0.000 1.375 776 L HN 0.185 nan 8.230 nan 0.000 0.433 777 Y N -0.432 120.026 120.300 0.264 0.000 2.449 777 Y HA 0.155 4.706 4.550 0.001 0.000 0.283 777 Y C 1.451 177.434 175.900 0.139 0.000 1.079 777 Y CA 0.003 58.191 58.100 0.147 0.000 1.099 777 Y CB 0.585 39.113 38.460 0.114 0.000 1.354 777 Y HN 0.163 nan 8.280 nan 0.000 0.569 778 K N 2.141 122.625 120.400 0.141 0.000 2.591 778 K HA 0.024 4.345 4.320 0.001 0.000 0.197 778 K C 0.728 177.570 176.600 0.403 0.000 1.026 778 K CA 1.060 57.489 56.287 0.236 0.000 1.127 778 K CB 0.084 32.715 32.500 0.217 0.000 0.871 778 K HN 0.784 nan 8.250 nan 0.000 0.507 779 Q N -0.858 119.161 119.800 0.365 0.000 2.534 779 Q HA 0.061 4.402 4.340 0.001 0.000 0.207 779 Q C 0.689 176.892 176.000 0.338 0.000 0.735 779 Q CA -0.469 55.511 55.803 0.295 0.000 0.904 779 Q CB -0.752 28.094 28.738 0.180 0.000 1.294 779 Q HN 0.045 nan 8.270 nan 0.000 0.553 780 L N 2.089 123.480 121.223 0.279 0.000 2.510 780 L HA 0.102 4.443 4.340 0.001 0.000 0.300 780 L C -0.591 176.460 176.870 0.302 0.000 1.283 780 L CA -0.239 54.761 54.840 0.267 0.000 0.834 780 L CB -0.680 41.546 42.059 0.279 0.000 1.085 780 L HN 0.112 nan 8.230 nan 0.000 0.545 781 N N 1.087 119.948 118.700 0.269 0.000 2.182 781 N HA -0.074 4.667 4.740 0.001 0.000 0.283 781 N C 0.194 175.851 175.510 0.245 0.000 1.380 781 N CA 0.504 53.711 53.050 0.262 0.000 0.874 781 N CB -0.170 38.462 38.487 0.241 0.000 1.190 781 N HN 0.530 nan 8.380 nan 0.000 0.494 782 F N 0.444 120.405 119.950 0.018 0.000 2.084 782 F HA 0.048 4.576 4.527 0.001 0.000 0.283 782 F C 1.972 177.787 175.800 0.025 0.000 1.141 782 F CA 0.820 58.812 58.000 -0.014 0.000 1.146 782 F CB -0.409 38.567 39.000 -0.039 0.000 1.035 782 F HN 0.407 nan 8.300 nan 0.000 0.485 783 T N -1.599 113.110 114.554 0.258 0.000 3.585 783 T HA 0.480 4.831 4.350 0.001 0.000 0.252 783 T C -0.418 174.350 174.700 0.112 0.000 1.382 783 T CA -0.494 61.697 62.100 0.152 0.000 1.584 783 T CB 0.418 69.357 68.868 0.119 0.000 0.892 783 T HN 0.114 nan 8.240 nan 0.000 0.671 784 E N 1.230 121.498 120.200 0.114 0.000 2.476 784 E HA 0.680 5.031 4.350 0.001 0.000 0.246 784 E C -0.490 176.171 176.600 0.102 0.000 0.872 784 E CA -0.960 55.496 56.400 0.094 0.000 0.867 784 E CB 1.470 31.229 29.700 0.098 0.000 1.533 784 E HN 0.618 nan 8.360 nan 0.000 0.399 785 N N -1.213 117.545 118.700 0.095 0.000 3.587 785 N HA 0.228 4.968 4.740 0.001 0.000 0.339 785 N C -0.809 174.759 175.510 0.097 0.000 1.636 785 N CA -0.559 52.552 53.050 0.102 0.000 0.788 785 N CB 0.576 39.116 38.487 0.089 0.000 2.205 785 N HN 0.349 nan 8.380 nan 0.000 0.600 786 E N -1.528 118.725 120.200 0.089 0.000 3.431 786 E HA -0.243 4.108 4.350 0.001 0.000 0.294 786 E C 0.312 176.969 176.600 0.095 0.000 1.487 786 E CA 1.852 58.301 56.400 0.082 0.000 2.027 786 E CB -1.871 27.869 29.700 0.068 0.000 1.966 786 E HN 0.776 nan 8.360 nan 0.000 0.482 787 T N -0.033 114.572 114.554 0.085 0.000 3.037 787 T HA 0.002 4.353 4.350 0.001 0.000 0.251 787 T C 1.292 176.063 174.700 0.119 0.000 1.079 787 T CA 0.977 63.137 62.100 0.100 0.000 1.067 787 T CB -0.200 68.715 68.868 0.077 0.000 0.948 787 T HN 0.400 nan 8.240 nan 0.000 0.496 788 D N 1.828 122.284 120.400 0.093 0.000 2.178 788 D HA -0.056 4.585 4.640 0.001 0.000 0.202 788 D C 1.879 178.230 176.300 0.086 0.000 0.974 788 D CA 0.988 55.034 54.000 0.076 0.000 0.841 788 D CB -0.183 40.653 40.800 0.060 0.000 0.953 788 D HN 0.415 nan 8.370 nan 0.000 0.478 789 N N -0.746 118.029 118.700 0.126 0.000 2.069 789 N HA -0.206 4.535 4.740 0.001 0.000 0.191 789 N C 1.530 177.086 175.510 0.078 0.000 1.031 789 N CA 0.799 53.943 53.050 0.158 0.000 0.852 789 N CB -0.345 38.299 38.487 0.262 0.000 1.018 789 N HN 0.167 nan 8.380 nan 0.000 0.423 790 F N 2.618 122.459 119.950 -0.181 0.000 2.307 790 F HA -0.119 4.409 4.527 0.001 0.000 0.301 790 F C 2.128 177.812 175.800 -0.194 0.000 1.076 790 F CA 1.081 58.810 58.000 -0.452 0.000 1.383 790 F CB -0.034 38.763 39.000 -0.338 0.000 1.055 790 F HN 0.009 nan 8.300 nan 0.000 0.526 791 E N 0.015 120.154 120.200 -0.102 0.000 2.028 791 E HA -0.127 4.224 4.350 0.001 0.000 0.190 791 E C 2.560 179.073 176.600 -0.145 0.000 0.984 791 E CA 1.505 57.815 56.400 -0.150 0.000 0.800 791 E CB -1.005 28.669 29.700 -0.045 0.000 0.758 791 E HN 0.307 nan 8.360 nan 0.000 0.448 792 V N 1.879 121.765 119.914 -0.047 0.000 2.324 792 V HA -0.267 3.854 4.120 0.001 0.000 0.250 792 V C 2.261 178.352 176.094 -0.006 0.000 1.060 792 V CA 1.937 64.234 62.300 -0.004 0.000 1.042 792 V CB -0.732 31.132 31.823 0.068 0.000 0.650 792 V HN 0.118 nan 8.190 nan 0.000 0.450 793 F N 1.320 121.140 119.950 -0.217 0.000 2.161 793 F HA -0.210 4.318 4.527 0.001 0.000 0.300 793 F C 2.564 178.185 175.800 -0.299 0.000 1.089 793 F CA 1.691 59.540 58.000 -0.251 0.000 1.282 793 F CB -0.559 38.167 39.000 -0.457 0.000 1.010 793 F HN 0.166 nan 8.300 nan 0.000 0.485 794 Q N 0.394 119.913 119.800 -0.468 0.000 2.242 794 Q HA -0.253 4.088 4.340 0.001 0.000 0.211 794 Q C 1.978 177.746 176.000 -0.387 0.000 0.992 794 Q CA 2.058 57.555 55.803 -0.510 0.000 0.889 794 Q CB -0.393 28.113 28.738 -0.387 0.000 0.913 794 Q HN 0.535 nan 8.270 nan 0.000 0.422 795 K N -0.817 119.420 120.400 -0.271 0.000 2.350 795 K HA 0.133 4.454 4.320 0.001 0.000 0.196 795 K C 1.934 178.442 176.600 -0.153 0.000 1.084 795 K CA -0.204 55.971 56.287 -0.186 0.000 0.967 795 K CB 0.464 32.896 32.500 -0.114 0.000 0.950 795 K HN 0.045 nan 8.250 nan 0.000 0.512 796 I N 2.992 123.492 120.570 -0.117 0.000 2.502 796 I HA -0.275 3.896 4.170 0.001 0.000 0.258 796 I C 2.268 178.346 176.117 -0.064 0.000 1.172 796 I CA 1.420 62.708 61.300 -0.020 0.000 1.430 796 I CB -1.323 36.749 38.000 0.119 0.000 1.086 796 I HN 0.201 nan 8.210 nan 0.000 0.440 797 I N -0.611 119.813 120.570 -0.244 0.000 2.070 797 I HA -0.114 4.057 4.170 0.001 0.000 0.224 797 I C 0.924 176.973 176.117 -0.113 0.000 1.049 797 I CA 1.218 62.373 61.300 -0.242 0.000 1.334 797 I CB -0.685 37.041 38.000 -0.456 0.000 1.095 797 I HN 0.001 nan 8.210 nan 0.000 0.391 798 D N 0.000 120.322 120.400 -0.131 0.000 6.856 798 D HA 0.000 4.641 4.640 0.001 0.000 0.175 798 D CA 0.000 53.954 54.000 -0.076 0.000 0.868 798 D CB 0.000 40.752 40.800 -0.079 0.000 0.688 798 D HN 0.000 nan 8.370 nan 0.000 0.683