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 1k2s_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP XXXXXXXXXX DATA SEQUENCE XTKDQLFPLA KEFLDQYYSS IKRFGSKAHM DRLEEVNKEI ESTSTYQLKD DATA SEQUENCE TELIYGAKHA WRNASRCVGR IQWSKLQVFD ARDCTTAHGM FNYICNHVKY DATA SEQUENCE ATNKGNLRSA ITIFPQRTDG KHDFRVWNSQ LIRYAGYKQP DGSTLGDPAN DATA SEQUENCE VQFTEICIQQ GWKAPRGRFD VLPLLLQANG NDPELFQIPP ELVLEVPIRH DATA SEQUENCE PKFDWFKDLG LKWYGLPAVS NMLLEIGGLE FSACPFSGWY MGTEIGVRDY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEYQP DPWNTHVW 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 299 R HA 0.000 nan 4.340 nan 0.000 0.208 299 R C 0.000 176.280 176.300 -0.033 0.000 0.893 299 R CA 0.000 56.158 56.100 0.097 0.000 0.921 299 R CB 0.000 30.308 30.300 0.013 0.000 0.687 300 F N 3.928 123.942 119.950 0.108 0.000 2.557 300 F HA 0.558 4.035 4.527 -1.750 0.000 0.316 300 F C -0.768 175.087 175.800 0.092 0.000 1.141 300 F CA -0.586 57.483 58.000 0.115 0.000 0.922 300 F CB 1.998 41.032 39.000 0.058 0.000 1.194 300 F HN 0.195 nan 8.300 nan 0.000 0.443 301 L N 4.522 125.871 121.223 0.209 0.000 2.341 301 L HA 0.533 3.823 4.340 -1.751 0.000 0.278 301 L C -0.418 176.511 176.870 0.099 0.000 1.005 301 L CA -1.001 53.877 54.840 0.063 0.000 0.818 301 L CB 1.716 43.667 42.059 -0.180 0.000 1.259 301 L HN 0.423 nan 8.230 nan 0.000 0.418 302 K N 2.714 123.155 120.400 0.068 0.000 2.118 302 K HA 0.614 3.884 4.320 -1.751 0.000 0.267 302 K C -0.852 175.760 176.600 0.020 0.000 0.991 302 K CA -0.600 55.712 56.287 0.043 0.000 0.916 302 K CB 2.485 34.996 32.500 0.018 0.000 1.041 302 K HN 0.218 nan 8.250 nan 0.000 0.455 303 V N 2.568 122.466 119.914 -0.026 0.000 2.524 303 V HA 0.278 3.347 4.120 -1.751 0.000 0.297 303 V C -0.299 175.739 176.094 -0.093 0.000 1.035 303 V CA -0.914 61.364 62.300 -0.037 0.000 0.867 303 V CB 1.934 33.715 31.823 -0.071 0.000 1.004 303 V HN 0.655 nan 8.190 nan 0.000 0.426 304 K N 4.038 124.401 120.400 -0.062 0.000 2.203 304 K HA 0.473 3.743 4.320 -1.751 0.000 0.251 304 K C -0.642 175.895 176.600 -0.105 0.000 0.944 304 K CA -0.696 55.480 56.287 -0.185 0.000 0.829 304 K CB 1.553 33.800 32.500 -0.423 0.000 1.125 304 K HN 0.672 nan 8.250 nan 0.000 0.430 305 N N 4.080 122.704 118.700 -0.127 0.000 2.444 305 N HA 0.106 3.796 4.740 -1.751 0.000 0.262 305 N C -0.488 175.019 175.510 -0.004 0.000 0.974 305 N CA -0.408 52.676 53.050 0.057 0.000 0.933 305 N CB 0.476 39.000 38.487 0.062 0.000 1.137 305 N HN 0.650 nan 8.380 nan 0.000 0.498 306 W N 2.065 123.436 121.300 0.118 0.000 3.204 306 W HA 0.152 3.761 4.660 -1.751 0.000 0.249 306 W C 1.784 178.346 176.519 0.073 0.000 1.322 306 W CA -0.188 57.219 57.345 0.102 0.000 1.593 306 W CB 0.214 29.754 29.460 0.134 0.000 1.122 306 W HN 0.657 nan 8.180 nan 0.000 0.710 307 E N -0.405 119.915 120.200 0.200 0.000 2.413 307 E HA -0.048 3.251 4.350 -1.751 0.000 0.203 307 E C 1.576 178.185 176.600 0.015 0.000 0.957 307 E CA 1.377 57.796 56.400 0.032 0.000 0.950 307 E CB 0.369 30.002 29.700 -0.111 0.000 0.957 307 E HN 0.173 nan 8.360 nan 0.000 0.497 308 T N -3.234 111.331 114.554 0.018 0.000 3.087 308 T HA 0.153 3.452 4.350 -1.751 0.000 0.283 308 T C 0.482 175.153 174.700 -0.049 0.000 0.956 308 T CA 0.165 62.259 62.100 -0.011 0.000 0.894 308 T CB 0.428 69.295 68.868 -0.002 0.000 1.160 308 T HN 0.023 nan 8.240 nan 0.000 0.532 309 D N 0.459 120.807 120.400 -0.086 0.000 3.006 309 D HA -0.145 3.445 4.640 -1.751 0.000 0.208 309 D C 0.092 176.294 176.300 -0.163 0.000 1.116 309 D CA 0.780 54.679 54.000 -0.167 0.000 0.998 309 D CB -1.397 39.325 40.800 -0.131 0.000 1.124 309 D HN 0.457 nan 8.370 nan 0.000 0.413 310 V N 1.272 121.118 119.914 -0.114 0.000 2.617 310 V HA 0.076 3.145 4.120 -1.751 0.000 0.304 310 V C 0.922 176.930 176.094 -0.145 0.000 1.040 310 V CA 0.227 62.462 62.300 -0.109 0.000 1.149 310 V CB 1.493 33.267 31.823 -0.081 0.000 0.914 310 V HN -0.058 nan 8.190 nan 0.000 0.487 311 V N 6.619 126.450 119.914 -0.140 0.000 2.555 311 V HA 0.565 3.635 4.120 -1.751 0.000 0.302 311 V C -0.113 175.892 176.094 -0.149 0.000 1.038 311 V CA -0.546 61.664 62.300 -0.150 0.000 0.887 311 V CB 1.753 33.499 31.823 -0.128 0.000 0.991 311 V HN 0.652 nan 8.190 nan 0.000 0.434 312 L N 2.894 123.991 121.223 -0.210 0.000 2.354 312 L HA 0.693 3.983 4.340 -1.751 0.000 0.264 312 L C -0.176 176.636 176.870 -0.096 0.000 1.008 312 L CA -0.534 54.151 54.840 -0.259 0.000 0.819 312 L CB 2.571 44.178 42.059 -0.753 0.000 1.339 312 L HN 0.535 nan 8.230 nan 0.000 0.420 313 T N -0.278 114.339 114.554 0.105 0.000 2.794 313 T HA 0.246 3.545 4.350 -1.751 0.000 0.280 313 T C -0.818 174.117 174.700 0.391 0.000 0.987 313 T CA -0.465 61.777 62.100 0.236 0.000 0.993 313 T CB 1.633 70.668 68.868 0.278 0.000 0.939 313 T HN 0.450 nan 8.240 nan 0.000 0.449 314 D N 1.999 122.605 120.400 0.344 0.000 2.303 314 D HA 0.260 3.850 4.640 -1.751 0.000 0.236 314 D C 0.667 177.058 176.300 0.153 0.000 1.068 314 D CA -0.412 53.762 54.000 0.290 0.000 0.830 314 D CB 1.608 42.615 40.800 0.347 0.000 1.109 314 D HN 0.658 nan 8.370 nan 0.000 0.496 315 T N 0.814 115.337 114.554 -0.051 0.000 2.975 315 T HA 0.082 3.382 4.350 -1.751 0.000 0.257 315 T C 2.008 176.501 174.700 -0.345 0.000 1.003 315 T CA -0.238 61.690 62.100 -0.287 0.000 0.932 315 T CB 0.064 68.676 68.868 -0.427 0.000 1.087 315 T HN 0.328 nan 8.240 nan 0.000 0.512 316 L N 2.152 123.235 121.223 -0.233 0.000 2.141 316 L HA -0.094 3.196 4.340 -1.751 0.000 0.209 316 L C 3.019 179.602 176.870 -0.478 0.000 1.094 316 L CA 1.645 56.327 54.840 -0.262 0.000 0.763 316 L CB -0.445 41.538 42.059 -0.126 0.000 0.908 316 L HN 0.555 nan 8.230 nan 0.000 0.437 317 H N -0.599 118.033 119.070 -0.731 0.000 2.489 317 H HA -0.189 3.316 4.556 -1.751 0.000 0.295 317 H C 1.976 176.964 175.328 -0.566 0.000 1.082 317 H CA 1.069 56.432 56.048 -1.143 0.000 1.295 317 H CB -0.706 28.524 29.762 -0.886 0.000 1.380 317 H HN 0.395 nan 8.280 nan 0.000 0.548 318 L N 0.672 121.340 121.223 -0.925 0.000 2.191 318 L HA -0.117 3.172 4.340 -1.751 0.000 0.212 318 L C 2.042 178.706 176.870 -0.343 0.000 1.103 318 L CA 1.301 55.773 54.840 -0.613 0.000 0.769 318 L CB -0.253 41.477 42.059 -0.549 0.000 0.908 318 L HN 0.201 nan 8.230 nan 0.000 0.438 319 K N -0.281 119.934 120.400 -0.309 0.000 2.476 319 K HA 0.065 3.334 4.320 -1.751 0.000 0.196 319 K C 0.811 177.334 176.600 -0.127 0.000 1.025 319 K CA -0.134 56.045 56.287 -0.181 0.000 1.138 319 K CB 0.222 32.635 32.500 -0.146 0.000 0.860 319 K HN 0.073 nan 8.250 nan 0.000 0.515 320 S N 0.787 116.387 115.700 -0.165 0.000 2.562 320 S HA 0.036 3.456 4.470 -1.751 0.000 0.281 320 S C 0.858 175.439 174.600 -0.032 0.000 1.333 320 S CA -0.162 57.998 58.200 -0.067 0.000 1.052 320 S CB 0.779 63.936 63.200 -0.072 0.000 0.884 320 S HN 0.260 nan 8.310 nan 0.000 0.506 321 T N 4.965 119.521 114.554 0.004 0.000 3.391 321 T HA 0.273 3.573 4.350 -1.751 0.000 0.233 321 T C 0.706 175.411 174.700 0.008 0.000 0.960 321 T CA -0.283 61.818 62.100 0.001 0.000 1.342 321 T CB -0.501 68.370 68.868 0.006 0.000 1.124 321 T HN 0.471 nan 8.240 nan 0.000 0.396 322 L N 1.706 122.938 121.223 0.014 0.000 2.474 322 L HA 0.235 3.524 4.340 -1.751 0.000 0.259 322 L C 0.680 177.560 176.870 0.017 0.000 1.232 322 L CA -0.176 54.670 54.840 0.010 0.000 0.821 322 L CB 0.275 42.334 42.059 0.001 0.000 1.108 322 L HN 0.314 nan 8.230 nan 0.000 0.495 323 E N -0.872 119.335 120.200 0.011 0.000 2.342 323 E HA 0.120 3.419 4.350 -1.751 0.000 0.257 323 E C 0.343 176.951 176.600 0.013 0.000 1.150 323 E CA 0.334 56.743 56.400 0.015 0.000 0.926 323 E CB 0.788 30.495 29.700 0.012 0.000 1.074 323 E HN 0.730 nan 8.360 nan 0.000 0.449 324 T N -2.854 111.711 114.554 0.018 0.000 3.000 324 T HA 0.294 3.594 4.350 -1.751 0.000 0.248 324 T C 1.319 176.024 174.700 0.009 0.000 1.034 324 T CA 0.369 62.477 62.100 0.014 0.000 1.060 324 T CB 0.451 69.336 68.868 0.029 0.000 0.983 324 T HN 0.753 nan 8.240 nan 0.000 0.482 325 G N 0.356 109.166 108.800 0.016 0.000 2.253 325 G HA2 -0.183 2.726 3.960 -1.751 0.000 0.209 325 G HA3 -0.183 2.726 3.960 -1.751 0.000 0.209 325 G C 0.216 175.131 174.900 0.025 0.000 0.997 325 G CA -0.255 44.857 45.100 0.019 0.000 0.640 325 G HN 0.729 nan 8.290 nan 0.000 0.496 326 C N 1.536 120.850 119.300 0.024 0.000 2.382 326 C HA 0.936 4.346 4.460 -1.751 0.000 0.363 326 C C 1.084 176.087 174.990 0.021 0.000 1.213 326 C CA 0.616 59.648 59.018 0.024 0.000 2.363 326 C CB 1.075 28.828 27.740 0.021 0.000 2.397 326 C HN 0.955 nan 8.230 nan 0.000 0.573 327 T N -1.059 113.507 114.554 0.019 0.000 2.626 327 T HA 0.406 3.706 4.350 -1.751 0.000 0.279 327 T C 0.305 174.989 174.700 -0.028 0.000 0.983 327 T CA -0.411 61.694 62.100 0.008 0.000 1.059 327 T CB 0.948 69.840 68.868 0.040 0.000 1.396 327 T HN 0.531 nan 8.240 nan 0.000 0.519 328 E N -0.509 119.634 120.200 -0.095 0.000 2.299 328 E HA 0.070 3.370 4.350 -1.751 0.000 0.193 328 E C 1.460 177.913 176.600 -0.245 0.000 0.998 328 E CA 0.498 56.781 56.400 -0.196 0.000 0.851 328 E CB -0.014 29.504 29.700 -0.304 0.000 0.795 328 E HN 0.534 nan 8.360 nan 0.000 0.492 329 H N -0.908 118.166 119.070 0.007 0.000 2.551 329 H HA 0.378 3.883 4.556 -1.751 0.000 0.271 329 H C -0.004 175.328 175.328 0.005 0.000 0.984 329 H CA 0.304 56.356 56.048 0.006 0.000 1.164 329 H CB 0.994 30.760 29.762 0.007 0.000 1.437 329 H HN 0.088 nan 8.280 nan 0.000 0.550 330 I N 0.301 120.927 120.570 0.094 0.000 2.741 330 I HA 0.116 3.235 4.170 -1.751 0.000 0.288 330 I C -1.350 174.789 176.117 0.036 0.000 1.482 330 I CA -0.622 60.715 61.300 0.062 0.000 1.050 330 I CB 1.812 39.852 38.000 0.066 0.000 1.388 330 I HN -0.009 nan 8.210 nan 0.000 0.428 331 C N 7.474 126.789 119.300 0.025 0.000 2.319 331 C HA 0.588 3.998 4.460 -1.751 0.000 0.335 331 C C 0.647 175.652 174.990 0.026 0.000 1.274 331 C CA -0.382 58.647 59.018 0.019 0.000 1.806 331 C CB 0.691 28.433 27.740 0.005 0.000 2.329 331 C HN 0.880 nan 8.230 nan 0.000 0.524 332 M N 4.773 124.391 119.600 0.031 0.000 2.673 332 M HA 0.215 3.644 4.480 -1.751 0.000 0.334 332 M C 1.765 178.094 176.300 0.049 0.000 1.211 332 M CA 0.018 55.342 55.300 0.040 0.000 0.962 332 M CB 0.352 32.975 32.600 0.040 0.000 1.343 332 M HN 1.027 nan 8.290 nan 0.000 0.511 333 G N 0.744 109.571 108.800 0.046 0.000 2.475 333 G HA2 -0.233 2.676 3.960 -1.751 0.000 0.220 333 G HA3 -0.233 2.676 3.960 -1.751 0.000 0.220 333 G C 1.360 176.323 174.900 0.106 0.000 1.125 333 G CA 1.495 46.633 45.100 0.064 0.000 0.755 333 G HN 0.580 nan 8.290 nan 0.000 0.565 334 S N -0.288 115.474 115.700 0.103 0.000 2.614 334 S HA 0.400 3.820 4.470 -1.751 0.000 0.230 334 S C 0.475 175.160 174.600 0.141 0.000 0.952 334 S CA -0.645 57.638 58.200 0.138 0.000 0.949 334 S CB 0.051 63.316 63.200 0.109 0.000 0.786 334 S HN 0.033 nan 8.310 nan 0.000 0.478 335 I N 2.385 123.028 120.570 0.121 0.000 2.325 335 I HA 0.275 3.395 4.170 -1.751 0.000 0.291 335 I C 1.407 177.616 176.117 0.154 0.000 1.019 335 I CA -0.359 61.011 61.300 0.117 0.000 1.302 335 I CB 0.786 38.835 38.000 0.082 0.000 1.401 335 I HN 0.272 nan 8.210 nan 0.000 0.485 336 M N 7.295 127.011 119.600 0.193 0.000 2.108 336 M HA -0.175 3.254 4.480 -1.751 0.000 0.257 336 M C -0.015 176.429 176.300 0.239 0.000 1.071 336 M CA 2.152 57.612 55.300 0.267 0.000 1.093 336 M CB -0.070 32.673 32.600 0.239 0.000 1.345 336 M HN 0.512 nan 8.290 nan 0.000 0.403 337 L N -2.715 118.612 121.223 0.173 0.000 2.752 337 L HA 0.562 3.851 4.340 -1.751 0.000 0.257 337 L C -2.523 174.400 176.870 0.088 0.000 0.968 337 L CA -1.630 53.300 54.840 0.150 0.000 0.953 337 L CB -0.903 41.320 42.059 0.274 0.000 1.286 337 L HN -0.152 nan 8.230 nan 0.000 0.443 351 K N 1.106 121.535 120.400 0.049 0.000 2.001 351 K HA -0.186 3.083 4.320 -1.751 0.000 0.214 351 K C 1.763 178.414 176.600 0.085 0.000 1.050 351 K CA 2.290 58.614 56.287 0.062 0.000 0.934 351 K CB -0.218 32.303 32.500 0.035 0.000 0.718 351 K HN 0.747 nan 8.250 nan 0.000 0.443 352 D N 1.058 121.497 120.400 0.065 0.000 2.178 352 D HA -0.215 3.375 4.640 -1.751 0.000 0.201 352 D C 1.806 178.162 176.300 0.094 0.000 0.980 352 D CA 1.293 55.341 54.000 0.080 0.000 0.842 352 D CB -0.376 40.454 40.800 0.051 0.000 0.948 352 D HN 0.400 nan 8.370 nan 0.000 0.472 353 Q N -0.215 119.628 119.800 0.072 0.000 2.083 353 Q HA -0.043 3.247 4.340 -1.751 0.000 0.198 353 Q C 2.380 178.424 176.000 0.074 0.000 0.969 353 Q CA 0.501 56.340 55.803 0.061 0.000 0.838 353 Q CB -0.103 28.661 28.738 0.043 0.000 0.900 353 Q HN 0.183 nan 8.270 nan 0.000 0.436 354 L N 0.161 121.442 121.223 0.096 0.000 2.093 354 L HA -0.123 3.166 4.340 -1.751 0.000 0.208 354 L C 1.993 178.943 176.870 0.134 0.000 1.085 354 L CA 1.474 56.386 54.840 0.120 0.000 0.755 354 L CB -0.485 41.661 42.059 0.144 0.000 0.904 354 L HN 0.115 nan 8.230 nan 0.000 0.435 355 F N 1.762 121.716 119.950 0.008 0.000 2.113 355 F HA -0.026 3.451 4.527 -1.751 0.000 0.297 355 F C -0.534 175.265 175.800 -0.002 0.000 1.103 355 F CA 1.209 59.195 58.000 -0.025 0.000 1.248 355 F CB -1.721 37.261 39.000 -0.030 0.000 0.999 355 F HN 0.156 nan 8.300 nan 0.000 0.475 356 P HA -0.233 nan 4.420 nan 0.000 0.215 356 P C 2.194 179.391 177.300 -0.171 0.000 1.157 356 P CA 1.969 64.962 63.100 -0.178 0.000 0.874 356 P CB -0.298 31.391 31.700 -0.018 0.000 0.790 357 L N -0.591 120.590 121.223 -0.069 0.000 2.012 357 L HA -0.192 3.097 4.340 -1.751 0.000 0.210 357 L C 2.897 179.772 176.870 0.009 0.000 1.073 357 L CA 1.839 56.676 54.840 -0.006 0.000 0.748 357 L CB -1.369 40.709 42.059 0.032 0.000 0.891 357 L HN -0.031 nan 8.230 nan 0.000 0.431 358 A N 0.295 123.078 122.820 -0.063 0.000 1.865 358 A HA -0.288 2.982 4.320 -1.751 0.000 0.217 358 A C 2.396 179.911 177.584 -0.114 0.000 1.191 358 A CA 2.204 54.200 52.037 -0.068 0.000 0.623 358 A CB -0.574 18.212 19.000 -0.356 0.000 0.826 358 A HN 0.368 nan 8.150 nan 0.000 0.444 359 K N -0.188 119.963 120.400 -0.416 0.000 2.020 359 K HA -0.270 3.000 4.320 -1.751 0.000 0.212 359 K C 2.109 178.660 176.600 -0.083 0.000 1.050 359 K CA 1.998 58.079 56.287 -0.343 0.000 0.929 359 K CB -0.294 31.870 32.500 -0.559 0.000 0.714 359 K HN 0.620 nan 8.250 nan 0.000 0.443 360 E N -0.369 119.800 120.200 -0.052 0.000 2.065 360 E HA -0.262 3.038 4.350 -1.751 0.000 0.201 360 E C 1.932 178.585 176.600 0.089 0.000 1.016 360 E CA 1.771 58.190 56.400 0.032 0.000 0.818 360 E CB -0.306 29.417 29.700 0.038 0.000 0.749 360 E HN 0.402 nan 8.360 nan 0.000 0.453 361 F N 1.282 121.237 119.950 0.008 0.000 2.046 361 F HA -0.206 3.272 4.527 -1.750 0.000 0.297 361 F C 2.095 177.928 175.800 0.056 0.000 1.123 361 F CA 1.671 59.703 58.000 0.053 0.000 1.199 361 F CB -0.559 38.486 39.000 0.076 0.000 0.972 361 F HN 0.022 nan 8.300 nan 0.000 0.474 362 L N 0.107 121.268 121.223 -0.104 0.000 2.043 362 L HA -0.280 3.009 4.340 -1.751 0.000 0.212 362 L C 2.287 179.087 176.870 -0.116 0.000 1.075 362 L CA 1.642 56.402 54.840 -0.134 0.000 0.752 362 L CB -0.926 41.162 42.059 0.048 0.000 0.891 362 L HN 0.186 nan 8.230 nan 0.000 0.432 363 D N -0.420 119.979 120.400 -0.003 0.000 2.097 363 D HA -0.202 3.387 4.640 -1.751 0.000 0.195 363 D C 2.245 178.577 176.300 0.054 0.000 0.989 363 D CA 1.159 55.282 54.000 0.206 0.000 0.827 363 D CB -0.209 40.807 40.800 0.360 0.000 0.966 363 D HN 0.455 nan 8.370 nan 0.000 0.456 364 Q N -0.396 119.347 119.800 -0.095 0.000 2.045 364 Q HA -0.221 3.069 4.340 -1.751 0.000 0.206 364 Q C 2.200 177.978 176.000 -0.370 0.000 0.991 364 Q CA 1.410 57.114 55.803 -0.166 0.000 0.851 364 Q CB -0.362 28.319 28.738 -0.095 0.000 0.911 364 Q HN 0.357 nan 8.270 nan 0.000 0.418 365 Y N 0.293 120.103 120.300 -0.816 0.000 2.053 365 Y HA -0.335 3.165 4.550 -1.749 0.000 0.277 365 Y C 1.925 177.367 175.900 -0.764 0.000 1.159 365 Y CA 1.848 59.233 58.100 -1.191 0.000 1.125 365 Y CB -0.799 36.903 38.460 -1.264 0.000 0.969 365 Y HN 0.125 nan 8.280 nan 0.000 0.492 366 Y N -0.671 119.258 120.300 -0.620 0.000 2.256 366 Y HA -0.242 3.258 4.550 -1.750 0.000 0.288 366 Y C 3.104 178.853 175.900 -0.252 0.000 1.155 366 Y CA 1.808 59.601 58.100 -0.511 0.000 1.203 366 Y CB -0.732 37.443 38.460 -0.475 0.000 0.980 366 Y HN 0.238 nan 8.280 nan 0.000 0.530 367 S N -0.579 115.110 115.700 -0.018 0.000 2.382 367 S HA -0.205 3.215 4.470 -1.751 0.000 0.228 367 S C 2.345 176.853 174.600 -0.152 0.000 1.027 367 S CA 1.457 59.624 58.200 -0.055 0.000 0.991 367 S CB -0.619 62.442 63.200 -0.231 0.000 0.823 367 S HN 0.595 nan 8.310 nan 0.000 0.469 368 S N 1.957 117.497 115.700 -0.266 0.000 2.402 368 S HA -0.044 3.376 4.470 -1.751 0.000 0.229 368 S C 1.791 176.256 174.600 -0.225 0.000 1.021 368 S CA 1.053 59.131 58.200 -0.203 0.000 0.974 368 S CB -0.943 62.144 63.200 -0.189 0.000 0.800 368 S HN 0.798 nan 8.310 nan 0.000 0.484 369 I N -2.083 118.251 120.570 -0.394 0.000 3.684 369 I HA 0.374 3.494 4.170 -1.751 0.000 0.304 369 I C 0.057 176.082 176.117 -0.153 0.000 1.278 369 I CA -0.295 60.815 61.300 -0.317 0.000 1.272 369 I CB -0.599 37.080 38.000 -0.535 0.000 1.029 369 I HN 0.055 nan 8.210 nan 0.000 0.458 370 K N 1.850 122.194 120.400 -0.094 0.000 3.181 370 K HA -0.097 3.173 4.320 -1.751 0.000 0.269 370 K C -0.324 176.298 176.600 0.037 0.000 1.097 370 K CA 0.226 56.506 56.287 -0.012 0.000 0.783 370 K CB -1.088 31.402 32.500 -0.016 0.000 1.267 370 K HN 0.431 nan 8.250 nan 0.000 0.484 371 R N 0.317 120.874 120.500 0.096 0.000 2.599 371 R HA 0.126 3.416 4.340 -1.751 0.000 0.451 371 R C -0.557 175.898 176.300 0.257 0.000 0.988 371 R CA -0.470 55.723 56.100 0.154 0.000 1.085 371 R CB -0.048 30.370 30.300 0.196 0.000 1.452 371 R HN 0.159 nan 8.270 nan 0.000 0.596 372 F N 1.477 121.500 119.950 0.121 0.000 2.541 372 F HA 0.291 3.768 4.527 -1.751 0.000 0.378 372 F C 1.418 177.248 175.800 0.051 0.000 1.068 372 F CA 1.716 59.839 58.000 0.205 0.000 1.199 372 F CB 0.488 39.541 39.000 0.088 0.000 1.091 372 F HN 0.582 nan 8.300 nan 0.000 0.555 373 G N 2.949 111.331 108.800 -0.696 0.000 2.317 373 G HA2 -0.297 2.612 3.960 -1.751 0.000 0.227 373 G HA3 -0.297 2.612 3.960 -1.751 0.000 0.227 373 G C 0.577 175.220 174.900 -0.428 0.000 1.042 373 G CA 0.247 44.883 45.100 -0.774 0.000 0.623 373 G HN 1.300 nan 8.290 nan 0.000 0.509 374 S N 0.523 116.097 115.700 -0.209 0.000 2.548 374 S HA 0.070 3.489 4.470 -1.751 0.000 0.266 374 S C 1.413 175.914 174.600 -0.166 0.000 1.374 374 S CA 1.378 59.501 58.200 -0.129 0.000 0.997 374 S CB 0.771 63.945 63.200 -0.043 0.000 0.855 374 S HN 0.748 nan 8.310 nan 0.000 0.534 375 K N 1.014 121.348 120.400 -0.111 0.000 2.025 375 K HA -0.095 3.175 4.320 -1.751 0.000 0.207 375 K C 2.508 179.041 176.600 -0.112 0.000 1.049 375 K CA 1.218 57.443 56.287 -0.104 0.000 0.933 375 K CB -1.013 31.450 32.500 -0.062 0.000 0.714 375 K HN 0.756 nan 8.250 nan 0.000 0.438 376 A N 1.008 123.779 122.820 -0.082 0.000 1.881 376 A HA -0.324 2.946 4.320 -1.751 0.000 0.219 376 A C 1.989 179.394 177.584 -0.300 0.000 1.215 376 A CA 2.305 54.302 52.037 -0.066 0.000 0.648 376 A CB -1.350 17.692 19.000 0.071 0.000 0.832 376 A HN 0.699 nan 8.150 nan 0.000 0.455 377 H N -1.346 117.257 119.070 -0.779 0.000 2.265 377 H HA -0.205 3.301 4.556 -1.750 0.000 0.295 377 H C 2.218 177.182 175.328 -0.607 0.000 1.084 377 H CA 2.038 57.314 56.048 -1.287 0.000 1.261 377 H CB -0.104 29.104 29.762 -0.924 0.000 1.360 377 H HN 0.382 nan 8.280 nan 0.000 0.487 378 M N 0.901 120.383 119.600 -0.196 0.000 2.080 378 M HA -0.175 3.255 4.480 -1.751 0.000 0.260 378 M C 1.832 178.089 176.300 -0.072 0.000 1.068 378 M CA 1.223 56.437 55.300 -0.144 0.000 1.109 378 M CB -0.904 31.587 32.600 -0.182 0.000 1.342 378 M HN 0.404 nan 8.290 nan 0.000 0.405 379 D N 0.079 120.434 120.400 -0.075 0.000 2.108 379 D HA -0.207 3.383 4.640 -1.751 0.000 0.190 379 D C 2.084 178.386 176.300 0.004 0.000 0.995 379 D CA 1.618 55.601 54.000 -0.028 0.000 0.834 379 D CB -0.404 40.387 40.800 -0.015 0.000 0.967 379 D HN 0.172 nan 8.370 nan 0.000 0.446 380 R N 0.746 121.253 120.500 0.013 0.000 2.096 380 R HA -0.146 3.144 4.340 -1.751 0.000 0.240 380 R C 2.282 178.627 176.300 0.076 0.000 1.139 380 R CA 0.905 57.052 56.100 0.078 0.000 0.952 380 R CB -1.093 29.310 30.300 0.172 0.000 0.854 380 R HN 0.138 nan 8.270 nan 0.000 0.436 381 L N 0.970 122.229 121.223 0.060 0.000 2.013 381 L HA -0.175 3.114 4.340 -1.751 0.000 0.212 381 L C 2.311 179.263 176.870 0.137 0.000 1.073 381 L CA 2.469 57.375 54.840 0.110 0.000 0.753 381 L CB -0.773 41.354 42.059 0.112 0.000 0.890 381 L HN 0.484 nan 8.230 nan 0.000 0.432 382 E N -1.065 119.174 120.200 0.065 0.000 2.072 382 E HA -0.248 3.051 4.350 -1.751 0.000 0.190 382 E C 2.132 178.745 176.600 0.021 0.000 0.982 382 E CA 1.052 57.469 56.400 0.029 0.000 0.803 382 E CB -0.152 29.545 29.700 -0.005 0.000 0.755 382 E HN 0.584 nan 8.360 nan 0.000 0.453 383 E N -0.079 120.142 120.200 0.035 0.000 2.058 383 E HA -0.197 3.102 4.350 -1.751 0.000 0.194 383 E C 2.056 178.682 176.600 0.045 0.000 0.997 383 E CA 1.663 58.087 56.400 0.039 0.000 0.801 383 E CB 0.118 29.853 29.700 0.058 0.000 0.746 383 E HN 0.197 nan 8.360 nan 0.000 0.450 384 V N 1.448 121.392 119.914 0.051 0.000 2.295 384 V HA -0.266 2.803 4.120 -1.751 0.000 0.246 384 V C 2.289 178.392 176.094 0.014 0.000 1.049 384 V CA 1.998 64.295 62.300 -0.006 0.000 1.024 384 V CB -0.943 30.792 31.823 -0.147 0.000 0.648 384 V HN 0.356 nan 8.190 nan 0.000 0.447 385 N N 0.603 119.344 118.700 0.069 0.000 2.018 385 N HA -0.222 3.468 4.740 -1.751 0.000 0.196 385 N C 1.855 177.275 175.510 -0.150 0.000 1.043 385 N CA 1.681 54.634 53.050 -0.161 0.000 0.856 385 N CB -0.224 38.040 38.487 -0.372 0.000 1.042 385 N HN 0.187 nan 8.380 nan 0.000 0.423 386 K N 0.818 121.164 120.400 -0.090 0.000 2.020 386 K HA -0.197 3.073 4.320 -1.751 0.000 0.212 386 K C 2.009 178.595 176.600 -0.024 0.000 1.050 386 K CA 1.335 57.585 56.287 -0.061 0.000 0.929 386 K CB -0.736 31.745 32.500 -0.033 0.000 0.714 386 K HN 0.504 nan 8.250 nan 0.000 0.443 387 E N 0.430 120.638 120.200 0.013 0.000 2.070 387 E HA -0.175 3.124 4.350 -1.751 0.000 0.197 387 E C 2.080 178.717 176.600 0.063 0.000 1.004 387 E CA 1.230 57.662 56.400 0.054 0.000 0.805 387 E CB -0.072 29.692 29.700 0.107 0.000 0.744 387 E HN 0.263 nan 8.360 nan 0.000 0.451 388 I N 0.577 121.183 120.570 0.060 0.000 2.394 388 I HA -0.209 2.911 4.170 -1.751 0.000 0.251 388 I C 2.448 178.579 176.117 0.023 0.000 1.136 388 I CA 0.948 62.294 61.300 0.077 0.000 1.425 388 I CB -0.241 37.814 38.000 0.093 0.000 1.079 388 I HN 0.149 nan 8.210 nan 0.000 0.425 389 E N 1.433 121.619 120.200 -0.024 0.000 2.077 389 E HA -0.213 3.087 4.350 -1.751 0.000 0.193 389 E C 2.181 178.771 176.600 -0.017 0.000 0.989 389 E CA 2.082 58.456 56.400 -0.043 0.000 0.800 389 E CB -0.016 29.638 29.700 -0.077 0.000 0.746 389 E HN 0.507 nan 8.360 nan 0.000 0.452 390 S N -2.113 113.584 115.700 -0.004 0.000 2.492 390 S HA 0.005 3.425 4.470 -1.751 0.000 0.218 390 S C 1.848 176.456 174.600 0.012 0.000 1.016 390 S CA 0.655 58.856 58.200 0.002 0.000 0.916 390 S CB -0.002 63.199 63.200 0.002 0.000 0.791 390 S HN 0.328 nan 8.310 nan 0.000 0.513 391 T N -2.063 112.506 114.554 0.025 0.000 2.985 391 T HA 0.323 3.623 4.350 -1.751 0.000 0.254 391 T C 0.649 175.367 174.700 0.030 0.000 1.021 391 T CA 0.502 62.619 62.100 0.028 0.000 0.957 391 T CB -0.273 68.618 68.868 0.039 0.000 1.047 391 T HN 0.382 nan 8.240 nan 0.000 0.511 392 S N -0.013 115.711 115.700 0.039 0.000 3.482 392 S HA -0.124 3.295 4.470 -1.751 0.000 0.294 392 S C 0.237 174.875 174.600 0.064 0.000 1.244 392 S CA 1.032 59.258 58.200 0.042 0.000 0.911 392 S CB -2.490 60.722 63.200 0.021 0.000 1.070 392 S HN 1.181 nan 8.310 nan 0.000 0.614 393 T N -0.712 113.905 114.554 0.106 0.000 2.649 393 T HA 0.545 3.844 4.350 -1.751 0.000 0.287 393 T C -2.112 172.745 174.700 0.262 0.000 1.933 393 T CA -0.069 62.121 62.100 0.150 0.000 0.943 393 T CB 0.818 69.697 68.868 0.019 0.000 2.078 393 T HN 1.167 nan 8.240 nan 0.000 0.455 394 Y N -0.360 119.942 120.300 0.004 0.000 2.677 394 Y HA 0.776 4.277 4.550 -1.748 0.000 0.334 394 Y C -1.543 174.365 175.900 0.013 0.000 1.196 394 Y CA -1.272 56.842 58.100 0.022 0.000 1.059 394 Y CB 0.942 39.435 38.460 0.055 0.000 1.315 394 Y HN 0.506 nan 8.280 nan 0.000 0.455 395 Q N 2.254 122.046 119.800 -0.014 0.000 2.282 395 Q HA 0.430 3.719 4.340 -1.751 0.000 0.260 395 Q C -1.392 174.607 176.000 -0.002 0.000 0.964 395 Q CA -0.982 54.769 55.803 -0.087 0.000 0.880 395 Q CB 2.840 31.576 28.738 -0.003 0.000 1.286 395 Q HN 0.748 nan 8.270 nan 0.000 0.445 396 L N 2.209 123.400 121.223 -0.054 0.000 2.290 396 L HA 0.208 3.498 4.340 -1.751 0.000 0.284 396 L C 0.512 177.396 176.870 0.024 0.000 1.078 396 L CA 0.288 55.147 54.840 0.032 0.000 0.815 396 L CB 0.470 42.526 42.059 -0.005 0.000 1.162 396 L HN 0.320 nan 8.230 nan 0.000 0.435 397 K N 2.433 122.853 120.400 0.033 0.000 2.414 397 K HA -0.026 3.243 4.320 -1.751 0.000 0.272 397 K C 0.484 177.058 176.600 -0.044 0.000 0.993 397 K CA -0.274 56.011 56.287 -0.003 0.000 0.964 397 K CB 0.526 33.021 32.500 -0.008 0.000 0.925 397 K HN 0.526 nan 8.250 nan 0.000 0.487 398 D N 0.980 121.358 120.400 -0.037 0.000 2.154 398 D HA -0.247 3.342 4.640 -1.751 0.000 0.190 398 D C 1.891 178.152 176.300 -0.065 0.000 1.003 398 D CA 2.509 56.480 54.000 -0.049 0.000 0.849 398 D CB -0.361 40.421 40.800 -0.031 0.000 0.942 398 D HN 0.791 nan 8.370 nan 0.000 0.446 399 T N -1.059 113.450 114.554 -0.074 0.000 2.699 399 T HA -0.217 3.083 4.350 -1.751 0.000 0.268 399 T C 1.659 176.240 174.700 -0.198 0.000 1.036 399 T CA 1.531 63.578 62.100 -0.088 0.000 1.147 399 T CB -0.525 68.306 68.868 -0.062 0.000 0.862 399 T HN 0.339 nan 8.240 nan 0.000 0.446 400 E N 0.883 120.872 120.200 -0.350 0.000 2.208 400 E HA 0.075 3.374 4.350 -1.751 0.000 0.193 400 E C 2.123 178.755 176.600 0.052 0.000 0.988 400 E CA 0.589 56.783 56.400 -0.343 0.000 0.828 400 E CB -0.279 29.279 29.700 -0.235 0.000 0.763 400 E HN 0.340 nan 8.360 nan 0.000 0.478 401 L N 1.188 122.392 121.223 -0.031 0.000 2.056 401 L HA -0.100 3.190 4.340 -1.751 0.000 0.207 401 L C 2.067 178.904 176.870 -0.055 0.000 1.078 401 L CA 1.400 56.190 54.840 -0.082 0.000 0.749 401 L CB -0.116 41.857 42.059 -0.143 0.000 0.901 401 L HN 0.077 nan 8.230 nan 0.000 0.433 402 I N -1.664 118.897 120.570 -0.016 0.000 2.179 402 I HA -0.344 2.776 4.170 -1.751 0.000 0.242 402 I C 2.386 178.573 176.117 0.117 0.000 1.088 402 I CA 1.741 63.051 61.300 0.017 0.000 1.357 402 I CB -0.476 37.536 38.000 0.020 0.000 1.051 402 I HN 0.347 nan 8.210 nan 0.000 0.409 403 Y N 1.757 122.091 120.300 0.057 0.000 2.097 403 Y HA -0.221 3.279 4.550 -1.751 0.000 0.282 403 Y C 2.448 178.458 175.900 0.184 0.000 1.152 403 Y CA 1.741 59.925 58.100 0.139 0.000 1.136 403 Y CB -0.935 37.566 38.460 0.069 0.000 0.975 403 Y HN 0.103 nan 8.280 nan 0.000 0.498 404 G N 0.047 109.031 108.800 0.307 0.000 2.513 404 G HA2 -0.372 2.538 3.960 -1.751 0.000 0.219 404 G HA3 -0.372 2.538 3.960 -1.751 0.000 0.219 404 G C 1.789 176.664 174.900 -0.042 0.000 1.160 404 G CA 1.534 46.741 45.100 0.177 0.000 0.767 404 G HN 0.665 nan 8.290 nan 0.000 0.571 405 A N 0.733 123.513 122.820 -0.067 0.000 1.841 405 A HA 0.020 3.289 4.320 -1.751 0.000 0.214 405 A C 2.302 179.927 177.584 0.067 0.000 1.195 405 A CA 1.989 53.975 52.037 -0.083 0.000 0.611 405 A CB -0.444 18.513 19.000 -0.072 0.000 0.835 405 A HN 0.363 nan 8.150 nan 0.000 0.443 406 K N -0.989 119.509 120.400 0.162 0.000 2.160 406 K HA -0.191 3.078 4.320 -1.751 0.000 0.206 406 K C 1.884 178.658 176.600 0.290 0.000 1.047 406 K CA 1.600 58.081 56.287 0.324 0.000 0.930 406 K CB -0.339 32.358 32.500 0.328 0.000 0.720 406 K HN 0.667 nan 8.250 nan 0.000 0.450 407 H N -0.704 118.327 119.070 -0.066 0.000 2.482 407 H HA 0.077 3.582 4.556 -1.751 0.000 0.286 407 H C 2.047 177.269 175.328 -0.177 0.000 1.017 407 H CA 0.734 56.639 56.048 -0.239 0.000 1.322 407 H CB 0.323 29.792 29.762 -0.489 0.000 1.426 407 H HN 0.234 nan 8.280 nan 0.000 0.546 408 A N 1.204 123.952 122.820 -0.120 0.000 1.972 408 A HA -0.185 3.085 4.320 -1.751 0.000 0.219 408 A C 2.137 179.707 177.584 -0.023 0.000 1.169 408 A CA 1.072 52.900 52.037 -0.349 0.000 0.635 408 A CB -0.727 17.642 19.000 -1.053 0.000 0.810 408 A HN 0.503 nan 8.150 nan 0.000 0.446 409 W N 0.986 122.295 121.300 0.016 0.000 2.380 409 W HA -0.125 3.486 4.660 -1.747 0.000 0.317 409 W C 2.303 178.795 176.519 -0.045 0.000 1.196 409 W CA 1.490 58.916 57.345 0.134 0.000 1.307 409 W CB -0.920 28.602 29.460 0.104 0.000 1.157 409 W HN 0.371 nan 8.180 nan 0.000 0.483 410 R N 0.527 121.001 120.500 -0.043 0.000 2.185 410 R HA -0.216 3.074 4.340 -1.751 0.000 0.247 410 R C 1.374 177.505 176.300 -0.281 0.000 1.159 410 R CA 1.987 57.796 56.100 -0.484 0.000 0.988 410 R CB -0.481 29.104 30.300 -1.191 0.000 0.871 410 R HN 0.169 nan 8.270 nan 0.000 0.458 411 N N -0.104 118.513 118.700 -0.139 0.000 2.299 411 N HA 0.045 3.735 4.740 -1.751 0.000 0.187 411 N C -0.357 175.132 175.510 -0.036 0.000 1.099 411 N CA 0.603 53.592 53.050 -0.101 0.000 0.867 411 N CB 0.748 39.181 38.487 -0.090 0.000 0.974 411 N HN 0.139 nan 8.380 nan 0.000 0.477 412 A N 1.580 124.438 122.820 0.064 0.000 2.752 412 A HA 0.098 3.368 4.320 -1.751 0.000 0.292 412 A C 1.464 179.044 177.584 -0.008 0.000 1.597 412 A CA -0.083 51.988 52.037 0.057 0.000 1.241 412 A CB -0.474 18.605 19.000 0.132 0.000 1.061 412 A HN 0.288 nan 8.150 nan 0.000 0.576 413 S N 2.191 117.844 115.700 -0.079 0.000 2.488 413 S HA -0.181 3.239 4.470 -1.751 0.000 0.246 413 S C 1.391 175.933 174.600 -0.096 0.000 0.992 413 S CA 1.367 59.510 58.200 -0.094 0.000 0.963 413 S CB -0.216 62.891 63.200 -0.157 0.000 0.754 413 S HN 0.762 nan 8.310 nan 0.000 0.519 414 R N -0.733 119.690 120.500 -0.128 0.000 2.362 414 R HA 0.294 3.584 4.340 -1.751 0.000 0.227 414 R C -0.051 176.243 176.300 -0.009 0.000 0.905 414 R CA -0.086 55.951 56.100 -0.106 0.000 1.067 414 R CB 0.206 30.283 30.300 -0.371 0.000 1.078 414 R HN 0.419 nan 8.270 nan 0.000 0.516 415 C N 0.781 120.063 119.300 -0.030 0.000 2.303 415 C HA 0.210 3.619 4.460 -1.751 0.000 0.341 415 C C 1.971 176.883 174.990 -0.130 0.000 1.244 415 C CA -0.623 58.394 59.018 -0.001 0.000 1.765 415 C CB 0.507 28.319 27.740 0.120 0.000 2.379 415 C HN 0.288 nan 8.230 nan 0.000 0.530 416 V N 5.949 125.747 119.914 -0.193 0.000 2.951 416 V HA 0.179 3.248 4.120 -1.751 0.000 0.255 416 V C 1.806 177.874 176.094 -0.043 0.000 1.088 416 V CA 2.247 64.316 62.300 -0.384 0.000 1.109 416 V CB -0.165 31.500 31.823 -0.263 0.000 0.724 416 V HN 1.055 nan 8.190 nan 0.000 0.471 417 G N -0.611 108.213 108.800 0.040 0.000 3.518 417 G HA2 0.067 2.977 3.960 -1.751 0.000 0.273 417 G HA3 0.067 2.977 3.960 -1.751 0.000 0.273 417 G C 1.152 176.091 174.900 0.064 0.000 1.199 417 G CA -0.370 44.782 45.100 0.085 0.000 0.899 417 G HN 0.435 nan 8.290 nan 0.000 0.533 418 R N -0.139 120.358 120.500 -0.005 0.000 2.357 418 R HA 0.118 3.407 4.340 -1.751 0.000 0.202 418 R C 2.012 177.868 176.300 -0.741 0.000 1.047 418 R CA 0.083 55.966 56.100 -0.362 0.000 1.034 418 R CB -0.129 30.033 30.300 -0.230 0.000 0.875 418 R HN 0.490 nan 8.270 nan 0.000 0.473 419 I N 0.910 121.150 120.570 -0.549 0.000 2.567 419 I HA -0.253 2.867 4.170 -1.751 0.000 0.257 419 I C 1.111 177.100 176.117 -0.213 0.000 1.184 419 I CA 1.380 62.467 61.300 -0.355 0.000 1.451 419 I CB 0.164 38.155 38.000 -0.016 0.000 1.089 419 I HN 0.221 nan 8.210 nan 0.000 0.441 420 Q N 0.695 120.303 119.800 -0.320 0.000 2.320 420 Q HA -0.085 3.205 4.340 -1.751 0.000 0.201 420 Q C 1.582 177.039 176.000 -0.905 0.000 0.910 420 Q CA 0.275 55.845 55.803 -0.387 0.000 0.946 420 Q CB -0.180 28.478 28.738 -0.133 0.000 1.062 420 Q HN 0.785 nan 8.270 nan 0.000 0.503 421 W N 1.458 121.973 121.300 -1.309 0.000 2.290 421 W HA -0.298 3.311 4.660 -1.752 0.000 0.311 421 W C 1.408 177.488 176.519 -0.731 0.000 1.238 421 W CA 1.744 58.131 57.345 -1.596 0.000 1.255 421 W CB -1.294 27.530 29.460 -1.060 0.000 1.145 421 W HN 0.182 nan 8.180 nan 0.000 0.506 422 S N 0.666 115.453 115.700 -1.523 0.000 2.436 422 S HA -0.072 3.348 4.470 -1.751 0.000 0.228 422 S C 1.304 175.592 174.600 -0.520 0.000 1.014 422 S CA 0.743 58.195 58.200 -1.247 0.000 0.950 422 S CB -0.531 61.782 63.200 -1.478 0.000 0.784 422 S HN 0.279 nan 8.310 nan 0.000 0.504 423 K N 1.313 121.482 120.400 -0.385 0.000 2.278 423 K HA 0.302 3.571 4.320 -1.751 0.000 0.237 423 K C -1.289 175.340 176.600 0.047 0.000 1.229 423 K CA -0.319 55.891 56.287 -0.129 0.000 1.155 423 K CB -0.396 32.067 32.500 -0.062 0.000 1.590 423 K HN 0.328 nan 8.250 nan 0.000 0.290 424 L N 2.503 123.758 121.223 0.054 0.000 2.381 424 L HA 0.305 3.595 4.340 -1.751 0.000 0.274 424 L C -1.092 175.767 176.870 -0.018 0.000 0.988 424 L CA -0.496 54.431 54.840 0.145 0.000 0.824 424 L CB 1.928 44.163 42.059 0.294 0.000 1.263 424 L HN 0.273 nan 8.230 nan 0.000 0.410 425 Q N 3.081 122.821 119.800 -0.100 0.000 2.294 425 Q HA 0.564 3.853 4.340 -1.751 0.000 0.257 425 Q C -1.566 174.092 176.000 -0.572 0.000 0.955 425 Q CA -0.167 55.411 55.803 -0.375 0.000 0.936 425 Q CB 1.290 29.730 28.738 -0.496 0.000 1.188 425 Q HN 0.532 nan 8.270 nan 0.000 0.420 426 V N 5.736 125.322 119.914 -0.547 0.000 2.384 426 V HA 0.440 3.510 4.120 -1.751 0.000 0.287 426 V C -0.824 174.953 176.094 -0.529 0.000 1.020 426 V CA -0.634 61.397 62.300 -0.449 0.000 0.850 426 V CB 0.622 32.309 31.823 -0.226 0.000 0.987 426 V HN 0.622 nan 8.190 nan 0.000 0.436 427 F N 2.538 122.382 119.950 -0.177 0.000 2.361 427 F HA 0.368 3.849 4.527 -1.744 0.000 0.364 427 F C 0.559 176.192 175.800 -0.279 0.000 1.117 427 F CA -1.337 56.544 58.000 -0.198 0.000 1.071 427 F CB 1.044 39.945 39.000 -0.166 0.000 1.188 427 F HN 0.439 nan 8.300 nan 0.000 0.464 428 D N 3.404 123.767 120.400 -0.061 0.000 2.383 428 D HA 0.264 3.853 4.640 -1.751 0.000 0.245 428 D C 0.445 176.556 176.300 -0.316 0.000 1.263 428 D CA 0.217 54.109 54.000 -0.181 0.000 0.936 428 D CB 0.886 41.626 40.800 -0.100 0.000 1.053 428 D HN 0.612 nan 8.370 nan 0.000 0.507 429 A N 4.534 126.973 122.820 -0.635 0.000 2.507 429 A HA 0.120 3.390 4.320 -1.751 0.000 0.270 429 A C 1.801 179.018 177.584 -0.613 0.000 1.318 429 A CA -0.328 51.033 52.037 -1.126 0.000 0.924 429 A CB -0.033 17.706 19.000 -2.101 0.000 1.061 429 A HN 0.498 nan 8.150 nan 0.000 0.516 430 R N 0.696 121.000 120.500 -0.327 0.000 2.237 430 R HA -0.107 3.183 4.340 -1.751 0.000 0.219 430 R C 0.916 177.164 176.300 -0.087 0.000 1.080 430 R CA 1.325 57.318 56.100 -0.178 0.000 0.995 430 R CB -0.012 30.235 30.300 -0.089 0.000 0.875 430 R HN 0.724 nan 8.270 nan 0.000 0.462 431 D N -0.322 120.063 120.400 -0.024 0.000 2.340 431 D HA -0.067 3.523 4.640 -1.751 0.000 0.220 431 D C 0.545 176.935 176.300 0.150 0.000 1.039 431 D CA -0.138 53.904 54.000 0.069 0.000 0.866 431 D CB -0.511 40.344 40.800 0.093 0.000 0.913 431 D HN 0.011 nan 8.370 nan 0.000 0.523 432 C N 1.293 120.697 119.300 0.173 0.000 2.703 432 C HA 0.325 3.734 4.460 -1.751 0.000 0.411 432 C C 1.838 177.026 174.990 0.330 0.000 1.290 432 C CA 1.088 60.306 59.018 0.333 0.000 2.054 432 C CB 0.189 28.194 27.740 0.442 0.000 2.732 432 C HN 0.587 nan 8.230 nan 0.000 0.650 433 T N -0.725 114.059 114.554 0.383 0.000 3.191 433 T HA 0.258 3.558 4.350 -1.751 0.000 0.285 433 T C 0.084 174.966 174.700 0.304 0.000 0.887 433 T CA 0.576 62.906 62.100 0.382 0.000 0.881 433 T CB -0.308 68.705 68.868 0.241 0.000 1.217 433 T HN 0.992 nan 8.240 nan 0.000 0.591 434 T N -1.693 113.039 114.554 0.296 0.000 2.864 434 T HA 0.803 4.103 4.350 -1.751 0.000 0.299 434 T C 1.351 176.177 174.700 0.210 0.000 1.166 434 T CA -0.138 62.091 62.100 0.215 0.000 1.007 434 T CB 1.409 70.403 68.868 0.210 0.000 1.219 434 T HN 0.144 nan 8.240 nan 0.000 0.506 435 A N 0.078 123.004 122.820 0.176 0.000 1.969 435 A HA -0.006 3.264 4.320 -1.751 0.000 0.218 435 A C 1.945 179.539 177.584 0.016 0.000 1.169 435 A CA 1.742 53.847 52.037 0.115 0.000 0.635 435 A CB -1.373 17.761 19.000 0.223 0.000 0.810 435 A HN 0.989 nan 8.150 nan 0.000 0.445 436 H N -0.781 118.400 119.070 0.186 0.000 2.357 436 H HA 0.026 4.839 4.556 0.429 0.000 0.301 436 H C 2.387 177.764 175.328 0.082 0.000 1.082 436 H CA 1.545 57.693 56.048 0.167 0.000 1.342 436 H CB -0.281 29.633 29.762 0.253 0.000 1.389 436 H HN 0.468 nan 8.280 nan 0.000 0.511 437 G N 0.005 108.955 108.800 0.249 0.000 2.421 437 G HA2 -0.254 2.655 3.960 -1.751 0.000 0.216 437 G HA3 -0.254 2.655 3.960 -1.751 0.000 0.216 437 G C 1.619 176.687 174.900 0.280 0.000 1.171 437 G CA 0.889 46.123 45.100 0.224 0.000 0.775 437 G HN 0.288 nan 8.290 nan 0.000 0.543 438 M N -0.556 119.179 119.600 0.225 0.000 2.202 438 M HA 0.043 3.472 4.480 -1.751 0.000 0.262 438 M C 2.261 178.597 176.300 0.061 0.000 1.063 438 M CA 1.108 56.494 55.300 0.143 0.000 1.097 438 M CB -0.280 32.164 32.600 -0.259 0.000 1.382 438 M HN 0.329 nan 8.290 nan 0.000 0.413 439 F N 0.937 120.677 119.950 -0.351 0.000 2.206 439 F HA -0.196 3.367 4.527 -1.606 0.000 0.298 439 F C 2.077 177.759 175.800 -0.196 0.000 1.090 439 F CA 1.546 59.244 58.000 -0.502 0.000 1.323 439 F CB -0.157 38.115 39.000 -1.212 0.000 1.028 439 F HN 0.148 nan 8.300 nan 0.000 0.492 440 N N -0.276 118.290 118.700 -0.223 0.000 2.084 440 N HA -0.251 3.439 4.740 -1.751 0.000 0.190 440 N C 1.823 177.171 175.510 -0.270 0.000 1.030 440 N CA 2.055 54.931 53.050 -0.291 0.000 0.849 440 N CB -0.753 37.621 38.487 -0.189 0.000 1.012 440 N HN 0.469 nan 8.380 nan 0.000 0.423 441 Y N 0.572 120.818 120.300 -0.090 0.000 2.097 441 Y HA -0.123 3.373 4.550 -1.755 0.000 0.282 441 Y C 2.296 178.145 175.900 -0.085 0.000 1.152 441 Y CA 1.275 59.334 58.100 -0.070 0.000 1.136 441 Y CB -0.145 38.368 38.460 0.087 0.000 0.975 441 Y HN 0.114 nan 8.280 nan 0.000 0.498 442 I N -1.385 119.265 120.570 0.133 0.000 2.286 442 I HA -0.376 2.744 4.170 -1.751 0.000 0.248 442 I C 2.316 178.374 176.117 -0.099 0.000 1.115 442 I CA 1.002 62.315 61.300 0.021 0.000 1.392 442 I CB -0.508 37.477 38.000 -0.025 0.000 1.065 442 I HN 0.385 nan 8.210 nan 0.000 0.418 443 C N 0.771 119.894 119.300 -0.295 0.000 2.429 443 C HA -0.129 3.281 4.460 -1.751 0.000 0.277 443 C C 2.607 177.507 174.990 -0.150 0.000 1.262 443 C CA 0.781 59.617 59.018 -0.304 0.000 1.733 443 C CB -1.367 26.059 27.740 -0.522 0.000 2.010 443 C HN 0.554 nan 8.230 nan 0.000 0.483 444 N N -0.042 118.558 118.700 -0.166 0.000 2.166 444 N HA -0.150 3.539 4.740 -1.751 0.000 0.186 444 N C 1.447 176.893 175.510 -0.106 0.000 1.019 444 N CA 1.494 54.443 53.050 -0.169 0.000 0.856 444 N CB -0.778 37.538 38.487 -0.285 0.000 0.993 444 N HN 0.763 nan 8.380 nan 0.000 0.426 445 H N 0.446 119.421 119.070 -0.158 0.000 2.326 445 H HA 0.026 3.532 4.556 -1.750 0.000 0.301 445 H C 1.905 177.307 175.328 0.123 0.000 1.081 445 H CA 1.336 57.398 56.048 0.024 0.000 1.334 445 H CB 0.116 29.935 29.762 0.096 0.000 1.385 445 H HN -0.120 nan 8.280 nan 0.000 0.504 446 V N 1.045 121.133 119.914 0.289 0.000 2.332 446 V HA -0.267 2.802 4.120 -1.751 0.000 0.248 446 V C 2.489 178.667 176.094 0.139 0.000 1.055 446 V CA 2.277 64.697 62.300 0.199 0.000 1.038 446 V CB -0.521 31.337 31.823 0.059 0.000 0.651 446 V HN 0.428 nan 8.190 nan 0.000 0.450 447 K N -0.906 119.548 120.400 0.090 0.000 2.025 447 K HA -0.227 3.042 4.320 -1.751 0.000 0.207 447 K C 2.292 178.945 176.600 0.088 0.000 1.049 447 K CA 1.862 58.187 56.287 0.062 0.000 0.933 447 K CB -0.381 32.134 32.500 0.026 0.000 0.714 447 K HN 0.493 nan 8.250 nan 0.000 0.438 448 Y N 0.873 121.191 120.300 0.029 0.000 2.128 448 Y HA -0.263 3.236 4.550 -1.753 0.000 0.284 448 Y C 1.949 177.896 175.900 0.079 0.000 1.154 448 Y CA 1.916 60.058 58.100 0.070 0.000 1.149 448 Y CB -0.458 38.097 38.460 0.160 0.000 0.976 448 Y HN 0.177 nan 8.280 nan 0.000 0.505 449 A N -0.848 122.044 122.820 0.121 0.000 1.898 449 A HA -0.134 3.135 4.320 -1.751 0.000 0.216 449 A C 2.213 179.816 177.584 0.031 0.000 1.181 449 A CA 2.087 54.163 52.037 0.065 0.000 0.620 449 A CB -1.288 17.824 19.000 0.187 0.000 0.819 449 A HN 0.507 nan 8.150 nan 0.000 0.442 450 T N -0.269 114.318 114.554 0.055 0.000 2.746 450 T HA -0.151 3.148 4.350 -1.751 0.000 0.267 450 T C 1.022 175.717 174.700 -0.010 0.000 1.039 450 T CA 1.111 63.239 62.100 0.047 0.000 1.142 450 T CB -0.625 68.272 68.868 0.048 0.000 0.866 450 T HN 0.753 nan 8.240 nan 0.000 0.444 451 N N 1.061 119.727 118.700 -0.057 0.000 2.707 451 N HA -0.269 3.421 4.740 -1.751 0.000 0.253 451 N C -0.708 174.768 175.510 -0.057 0.000 0.998 451 N CA 0.332 53.328 53.050 -0.091 0.000 0.751 451 N CB -0.772 37.618 38.487 -0.163 0.000 0.920 451 N HN 0.466 nan 8.380 nan 0.000 0.539 452 K N -2.145 118.234 120.400 -0.035 0.000 3.069 452 K HA -0.261 3.009 4.320 -1.751 0.000 0.267 452 K C 1.016 177.592 176.600 -0.040 0.000 1.082 452 K CA 0.810 57.078 56.287 -0.033 0.000 0.782 452 K CB -1.798 30.682 32.500 -0.034 0.000 1.230 452 K HN 0.858 nan 8.250 nan 0.000 0.488 453 G N 0.602 109.382 108.800 -0.034 0.000 2.279 453 G HA2 -0.346 2.564 3.960 -1.751 0.000 0.223 453 G HA3 -0.346 2.564 3.960 -1.751 0.000 0.223 453 G C -0.109 174.768 174.900 -0.039 0.000 1.015 453 G CA 0.157 45.232 45.100 -0.041 0.000 0.621 453 G HN 0.503 nan 8.290 nan 0.000 0.506 454 N N 1.534 120.203 118.700 -0.053 0.000 2.719 454 N HA 0.475 4.165 4.740 -1.751 0.000 0.243 454 N C 0.684 176.160 175.510 -0.058 0.000 1.104 454 N CA -0.546 52.459 53.050 -0.075 0.000 0.981 454 N CB -0.097 38.341 38.487 -0.082 0.000 1.290 454 N HN 0.377 nan 8.380 nan 0.000 0.513 455 L N 2.280 123.494 121.223 -0.014 0.000 2.483 455 L HA 0.176 3.466 4.340 -1.751 0.000 0.276 455 L C 0.638 177.593 176.870 0.141 0.000 1.213 455 L CA 0.235 55.133 54.840 0.097 0.000 0.843 455 L CB 0.314 42.532 42.059 0.264 0.000 1.107 455 L HN 0.436 nan 8.230 nan 0.000 0.487 456 R N 1.144 121.735 120.500 0.153 0.000 2.628 456 R HA 0.365 3.655 4.340 -1.751 0.000 0.288 456 R C -0.903 175.539 176.300 0.238 0.000 0.980 456 R CA -0.657 55.547 56.100 0.173 0.000 0.891 456 R CB 2.198 32.440 30.300 -0.096 0.000 1.188 456 R HN 0.582 nan 8.270 nan 0.000 0.450 457 S N 1.255 117.118 115.700 0.272 0.000 2.564 457 S HA 0.582 4.001 4.470 -1.751 0.000 0.278 457 S C -0.264 174.400 174.600 0.107 0.000 1.333 457 S CA -0.235 58.053 58.200 0.147 0.000 1.048 457 S CB 1.371 64.664 63.200 0.155 0.000 0.900 457 S HN 0.711 nan 8.310 nan 0.000 0.505 458 A N 1.979 124.812 122.820 0.021 0.000 2.564 458 A HA 0.849 4.119 4.320 -1.751 0.000 0.291 458 A C -1.479 176.154 177.584 0.082 0.000 1.102 458 A CA -0.683 51.294 52.037 -0.101 0.000 0.660 458 A CB 1.118 19.931 19.000 -0.310 0.000 1.283 458 A HN 0.833 nan 8.150 nan 0.000 0.430 459 I N 0.160 120.778 120.570 0.080 0.000 2.731 459 I HA 0.508 3.628 4.170 -1.751 0.000 0.289 459 I C -1.412 174.845 176.117 0.234 0.000 1.399 459 I CA 0.061 61.543 61.300 0.304 0.000 1.048 459 I CB 2.176 40.267 38.000 0.151 0.000 1.345 459 I HN 0.620 nan 8.210 nan 0.000 0.425 460 T N 7.992 122.731 114.554 0.308 0.000 2.779 460 T HA 0.595 3.894 4.350 -1.751 0.000 0.280 460 T C -0.319 174.236 174.700 -0.241 0.000 0.987 460 T CA -0.255 61.870 62.100 0.042 0.000 0.966 460 T CB 0.981 69.854 68.868 0.008 0.000 0.933 460 T HN 0.304 nan 8.240 nan 0.000 0.442 461 I N 3.986 124.309 120.570 -0.412 0.000 2.330 461 I HA 0.421 3.541 4.170 -1.751 0.000 0.289 461 I C -0.471 175.305 176.117 -0.569 0.000 1.001 461 I CA -0.690 60.377 61.300 -0.389 0.000 1.193 461 I CB 0.831 38.577 38.000 -0.424 0.000 1.345 461 I HN 0.472 nan 8.210 nan 0.000 0.461 462 F N 6.235 126.085 119.950 -0.168 0.000 2.375 462 F HA 0.449 3.929 4.527 -1.744 0.000 0.317 462 F C -1.868 173.753 175.800 -0.299 0.000 1.124 462 F CA -2.317 55.488 58.000 -0.325 0.000 1.050 462 F CB -0.034 38.762 39.000 -0.340 0.000 1.314 462 F HN 0.226 nan 8.300 nan 0.000 0.511 463 P HA -0.080 nan 4.420 nan 0.000 0.263 463 P C -1.052 176.182 177.300 -0.109 0.000 1.168 463 P CA 0.167 63.069 63.100 -0.330 0.000 0.759 463 P CB 0.138 31.478 31.700 -0.600 0.000 0.782 464 Q N 3.251 122.976 119.800 -0.125 0.000 2.417 464 Q HA 0.183 3.473 4.340 -1.751 0.000 0.241 464 Q C 0.170 176.047 176.000 -0.205 0.000 1.008 464 Q CA -0.643 54.895 55.803 -0.442 0.000 0.901 464 Q CB 0.884 29.078 28.738 -0.906 0.000 1.259 464 Q HN 0.328 nan 8.270 nan 0.000 0.489 465 R N 0.200 120.572 120.500 -0.212 0.000 2.734 465 R HA 0.005 3.294 4.340 -1.751 0.000 0.266 465 R C 0.308 176.554 176.300 -0.090 0.000 1.044 465 R CA 1.159 57.216 56.100 -0.072 0.000 1.128 465 R CB 0.503 30.762 30.300 -0.069 0.000 1.010 465 R HN 1.022 nan 8.270 nan 0.000 0.461 466 T N -1.968 112.566 114.554 -0.033 0.000 3.321 466 T HA 0.000 3.300 4.350 -1.751 0.000 0.251 466 T C 0.813 175.488 174.700 -0.041 0.000 0.999 466 T CA 0.239 62.305 62.100 -0.058 0.000 1.186 466 T CB 0.026 68.840 68.868 -0.089 0.000 1.163 466 T HN 0.737 nan 8.240 nan 0.000 0.399 467 D N 0.839 121.228 120.400 -0.018 0.000 2.503 467 D HA 0.248 3.838 4.640 -1.751 0.000 0.218 467 D C 1.603 177.944 176.300 0.068 0.000 1.183 467 D CA 0.637 54.647 54.000 0.017 0.000 0.827 467 D CB 0.124 40.930 40.800 0.010 0.000 1.034 467 D HN 0.787 nan 8.370 nan 0.000 0.510 468 G N 1.774 110.618 108.800 0.074 0.000 2.220 468 G HA2 -0.389 2.520 3.960 -1.751 0.000 0.269 468 G HA3 -0.389 2.520 3.960 -1.751 0.000 0.269 468 G C 1.090 176.053 174.900 0.105 0.000 0.977 468 G CA 0.784 45.928 45.100 0.075 0.000 0.634 468 G HN 0.470 nan 8.290 nan 0.000 0.539 469 K N -0.518 119.994 120.400 0.187 0.000 2.367 469 K HA 0.220 3.490 4.320 -1.751 0.000 0.194 469 K C 0.587 177.203 176.600 0.026 0.000 1.027 469 K CA 0.445 56.806 56.287 0.124 0.000 1.075 469 K CB 0.286 32.856 32.500 0.117 0.000 0.845 469 K HN 0.524 nan 8.250 nan 0.000 0.529 470 H N 0.229 119.304 119.070 0.009 0.000 2.505 470 H HA 0.207 3.712 4.556 -1.751 0.000 0.260 470 H C -1.098 174.218 175.328 -0.020 0.000 1.168 470 H CA -0.990 55.047 56.048 -0.019 0.000 0.945 470 H CB -0.067 29.701 29.762 0.011 0.000 1.800 470 H HN -0.025 nan 8.280 nan 0.000 0.586 471 D N 0.369 120.825 120.400 0.093 0.000 2.424 471 D HA 0.057 3.647 4.640 -1.751 0.000 0.244 471 D C -0.181 176.143 176.300 0.041 0.000 1.134 471 D CA 0.249 54.316 54.000 0.112 0.000 0.881 471 D CB 0.488 41.339 40.800 0.084 0.000 1.191 471 D HN 0.114 nan 8.370 nan 0.000 0.445 472 F N 2.683 122.663 119.950 0.050 0.000 2.411 472 F HA 0.399 3.871 4.527 -1.759 0.000 0.350 472 F C 0.916 176.727 175.800 0.019 0.000 1.114 472 F CA -0.294 57.719 58.000 0.020 0.000 1.135 472 F CB 0.771 39.793 39.000 0.036 0.000 1.120 472 F HN -0.115 nan 8.300 nan 0.000 0.495 473 R N 1.929 122.519 120.500 0.150 0.000 2.725 473 R HA 0.627 3.916 4.340 -1.751 0.000 0.277 473 R C -1.685 174.733 176.300 0.197 0.000 0.987 473 R CA -1.026 55.166 56.100 0.153 0.000 0.901 473 R CB 2.228 32.603 30.300 0.125 0.000 1.207 473 R HN 0.339 nan 8.270 nan 0.000 0.463 474 V N 2.637 122.650 119.914 0.166 0.000 2.350 474 V HA 0.174 3.244 4.120 -1.751 0.000 0.285 474 V C 0.185 176.444 176.094 0.274 0.000 1.014 474 V CA -0.589 61.810 62.300 0.166 0.000 0.831 474 V CB 1.282 33.123 31.823 0.028 0.000 1.000 474 V HN 0.745 nan 8.190 nan 0.000 0.433 475 W N 2.243 123.584 121.300 0.069 0.000 2.465 475 W HA -0.000 3.625 4.660 -1.725 0.000 0.268 475 W C 1.020 177.598 176.519 0.098 0.000 1.242 475 W CA -0.260 57.228 57.345 0.238 0.000 1.248 475 W CB -0.756 28.991 29.460 0.479 0.000 1.118 475 W HN 0.513 nan 8.180 nan 0.000 0.587 476 N N -0.219 118.506 118.700 0.041 0.000 2.444 476 N HA 0.036 3.726 4.740 -1.751 0.000 0.255 476 N C 1.317 176.617 175.510 -0.351 0.000 1.255 476 N CA 0.826 53.537 53.050 -0.564 0.000 0.933 476 N CB 0.606 38.888 38.487 -0.342 0.000 1.143 476 N HN -0.142 nan 8.380 nan 0.000 0.453 477 S N -0.420 115.039 115.700 -0.402 0.000 2.458 477 S HA 0.061 3.481 4.470 -1.751 0.000 0.223 477 S C 0.231 174.686 174.600 -0.243 0.000 1.019 477 S CA 0.400 58.453 58.200 -0.246 0.000 0.937 477 S CB 0.077 63.168 63.200 -0.182 0.000 0.788 477 S HN 0.612 nan 8.310 nan 0.000 0.511 478 Q N -0.482 119.157 119.800 -0.269 0.000 2.421 478 Q HA 0.506 3.796 4.340 -1.751 0.000 0.280 478 Q C 0.110 175.939 176.000 -0.286 0.000 1.085 478 Q CA -0.524 55.119 55.803 -0.268 0.000 0.807 478 Q CB 2.027 30.637 28.738 -0.214 0.000 1.405 478 Q HN 0.076 nan 8.270 nan 0.000 0.419 479 L N 0.592 121.652 121.223 -0.273 0.000 2.131 479 L HA -0.009 3.281 4.340 -1.751 0.000 0.210 479 L C 0.528 177.228 176.870 -0.283 0.000 1.092 479 L CA 1.355 56.056 54.840 -0.232 0.000 0.759 479 L CB -0.084 41.850 42.059 -0.207 0.000 0.903 479 L HN 0.488 nan 8.230 nan 0.000 0.435 480 I N -0.246 120.062 120.570 -0.437 0.000 2.447 480 I HA 0.386 3.505 4.170 -1.751 0.000 0.287 480 I C -0.431 175.032 176.117 -1.090 0.000 1.023 480 I CA -0.370 60.517 61.300 -0.688 0.000 1.083 480 I CB 1.658 39.206 38.000 -0.752 0.000 1.245 480 I HN 0.054 nan 8.210 nan 0.000 0.434 481 R N 4.493 124.500 120.500 -0.822 0.000 2.634 481 R HA 0.393 3.682 4.340 -1.751 0.000 0.263 481 R C -1.714 174.356 176.300 -0.382 0.000 1.060 481 R CA -1.037 54.674 56.100 -0.648 0.000 0.898 481 R CB 2.196 32.331 30.300 -0.275 0.000 1.253 481 R HN 0.415 nan 8.270 nan 0.000 0.461 482 Y N 0.667 120.982 120.300 0.025 0.000 2.309 482 Y HA 0.379 3.878 4.550 -1.751 0.000 0.327 482 Y C 1.042 176.981 175.900 0.065 0.000 1.172 482 Y CA -0.642 57.521 58.100 0.105 0.000 1.280 482 Y CB 1.046 39.641 38.460 0.225 0.000 1.234 482 Y HN 0.603 nan 8.280 nan 0.000 0.512 483 A N 2.032 124.968 122.820 0.193 0.000 2.425 483 A HA 0.536 3.806 4.320 -1.751 0.000 0.242 483 A C 0.496 177.889 177.584 -0.318 0.000 1.077 483 A CA 0.179 52.164 52.037 -0.087 0.000 0.781 483 A CB -0.128 18.826 19.000 -0.077 0.000 1.020 483 A HN 0.901 nan 8.150 nan 0.000 0.494 484 G N 0.353 108.905 108.800 -0.413 0.000 2.487 484 G HA2 0.570 3.480 3.960 -1.751 0.000 0.314 484 G HA3 0.570 3.480 3.960 -1.751 0.000 0.314 484 G C -1.182 173.466 174.900 -0.421 0.000 1.267 484 G CA -0.280 44.620 45.100 -0.334 0.000 0.937 484 G HN 0.550 nan 8.290 nan 0.000 0.481 485 Y N 1.036 121.362 120.300 0.044 0.000 2.341 485 Y HA 0.468 3.966 4.550 -1.753 0.000 0.338 485 Y C 0.476 176.377 175.900 0.002 0.000 0.965 485 Y CA -1.010 57.108 58.100 0.030 0.000 1.108 485 Y CB 2.444 40.920 38.460 0.027 0.000 1.180 485 Y HN 0.401 nan 8.280 nan 0.000 0.458 486 K N 4.052 124.534 120.400 0.137 0.000 2.253 486 K HA 0.284 3.554 4.320 -1.751 0.000 0.277 486 K C -0.601 176.038 176.600 0.064 0.000 1.053 486 K CA -0.383 55.947 56.287 0.072 0.000 0.892 486 K CB 0.633 33.159 32.500 0.043 0.000 1.102 486 K HN 0.743 nan 8.250 nan 0.000 0.469 487 Q N 4.111 123.938 119.800 0.044 0.000 2.256 487 Q HA 0.145 3.435 4.340 -1.751 0.000 0.232 487 Q C -1.543 174.464 176.000 0.011 0.000 0.965 487 Q CA -1.961 53.855 55.803 0.022 0.000 0.908 487 Q CB 0.775 29.519 28.738 0.011 0.000 1.209 487 Q HN 0.499 nan 8.270 nan 0.000 0.489 488 P HA -0.224 nan 4.420 nan 0.000 0.220 488 P C 0.684 177.983 177.300 -0.000 0.000 1.148 488 P CA 1.257 64.357 63.100 -0.000 0.000 0.803 488 P CB 0.186 31.882 31.700 -0.006 0.000 0.782 489 D N 0.226 120.625 120.400 -0.001 0.000 2.228 489 D HA -0.165 3.425 4.640 -1.751 0.000 0.203 489 D C 1.646 177.947 176.300 0.001 0.000 0.988 489 D CA 2.067 56.066 54.000 -0.002 0.000 0.864 489 D CB -0.385 40.413 40.800 -0.003 0.000 0.928 489 D HN 0.294 nan 8.370 nan 0.000 0.469 490 G N -0.275 108.527 108.800 0.005 0.000 2.313 490 G HA2 -0.293 2.616 3.960 -1.751 0.000 0.215 490 G HA3 -0.293 2.616 3.960 -1.751 0.000 0.215 490 G C 0.644 175.548 174.900 0.007 0.000 1.023 490 G CA 0.771 45.875 45.100 0.007 0.000 0.626 490 G HN 0.687 nan 8.290 nan 0.000 0.503 491 S N -0.172 115.531 115.700 0.005 0.000 2.618 491 S HA 0.622 4.042 4.470 -1.751 0.000 0.254 491 S C 0.100 174.702 174.600 0.004 0.000 1.284 491 S CA 1.087 59.288 58.200 0.002 0.000 0.975 491 S CB 1.206 64.404 63.200 -0.003 0.000 1.022 491 S HN 0.970 nan 8.310 nan 0.000 0.571 492 T N 1.090 115.641 114.554 -0.006 0.000 2.991 492 T HA 0.490 3.790 4.350 -1.751 0.000 0.303 492 T C -1.350 173.333 174.700 -0.028 0.000 1.015 492 T CA -0.541 61.556 62.100 -0.005 0.000 1.007 492 T CB 1.279 70.136 68.868 -0.019 0.000 1.034 492 T HN 0.579 nan 8.240 nan 0.000 0.446 493 L N 3.514 124.752 121.223 0.025 0.000 2.307 493 L HA 0.811 4.101 4.340 -1.751 0.000 0.282 493 L C 0.816 177.692 176.870 0.010 0.000 1.051 493 L CA 1.352 56.207 54.840 0.026 0.000 0.804 493 L CB 0.144 42.267 42.059 0.107 0.000 1.197 493 L HN 1.003 nan 8.230 nan 0.000 0.431 494 G N 4.135 112.833 108.800 -0.171 0.000 2.520 494 G HA2 -0.227 2.683 3.960 -1.751 0.000 0.248 494 G HA3 -0.227 2.683 3.960 -1.751 0.000 0.248 494 G C -0.557 174.032 174.900 -0.518 0.000 1.161 494 G CA 0.113 45.054 45.100 -0.264 0.000 0.946 494 G HN 0.770 nan 8.290 nan 0.000 0.565 495 D N 2.044 122.356 120.400 -0.147 0.000 2.412 495 D HA 0.544 4.134 4.640 -1.751 0.000 0.224 495 D C -1.125 175.176 176.300 0.001 0.000 1.093 495 D CA -1.725 52.286 54.000 0.017 0.000 0.850 495 D CB 1.558 42.593 40.800 0.392 0.000 1.046 495 D HN -0.036 nan 8.370 nan 0.000 0.507 496 P HA -0.149 nan 4.420 nan 0.000 0.216 496 P C 1.046 178.375 177.300 0.049 0.000 1.150 496 P CA 1.168 64.268 63.100 0.001 0.000 0.843 496 P CB 0.272 31.973 31.700 0.001 0.000 0.787 497 A N -0.539 122.339 122.820 0.097 0.000 2.076 497 A HA -0.185 3.085 4.320 -1.751 0.000 0.220 497 A C 1.716 179.362 177.584 0.102 0.000 1.160 497 A CA 1.652 53.756 52.037 0.111 0.000 0.653 497 A CB -0.960 18.131 19.000 0.151 0.000 0.801 497 A HN 0.209 nan 8.150 nan 0.000 0.455 498 N N -0.786 117.971 118.700 0.094 0.000 2.184 498 N HA 0.101 3.791 4.740 -1.751 0.000 0.206 498 N C 1.259 176.804 175.510 0.057 0.000 1.151 498 N CA 0.473 53.580 53.050 0.094 0.000 0.878 498 N CB 0.413 38.962 38.487 0.103 0.000 1.014 498 N HN 0.189 nan 8.380 nan 0.000 0.512 499 V N 1.874 121.800 119.914 0.019 0.000 2.250 499 V HA -0.355 2.715 4.120 -1.751 0.000 0.253 499 V C 2.713 178.791 176.094 -0.026 0.000 1.065 499 V CA 2.186 64.478 62.300 -0.013 0.000 1.039 499 V CB -0.537 31.288 31.823 0.002 0.000 0.647 499 V HN 0.406 nan 8.190 nan 0.000 0.446 500 Q N -0.907 118.877 119.800 -0.027 0.000 1.993 500 Q HA -0.260 3.030 4.340 -1.751 0.000 0.202 500 Q C 2.194 178.067 176.000 -0.212 0.000 0.984 500 Q CA 2.428 58.161 55.803 -0.117 0.000 0.837 500 Q CB -0.345 28.322 28.738 -0.120 0.000 0.902 500 Q HN 0.580 nan 8.270 nan 0.000 0.423 501 F N 1.333 121.082 119.950 -0.336 0.000 2.091 501 F HA -0.252 3.221 4.527 -1.757 0.000 0.299 501 F C 2.168 177.854 175.800 -0.190 0.000 1.103 501 F CA 2.230 60.023 58.000 -0.347 0.000 1.228 501 F CB -0.729 38.166 39.000 -0.175 0.000 0.984 501 F HN 0.101 nan 8.300 nan 0.000 0.477 502 T N 0.049 114.545 114.554 -0.098 0.000 2.759 502 T HA -0.231 3.069 4.350 -1.751 0.000 0.269 502 T C 1.743 176.393 174.700 -0.084 0.000 1.042 502 T CA 1.801 63.828 62.100 -0.122 0.000 1.140 502 T CB -0.388 68.416 68.868 -0.106 0.000 0.864 502 T HN 0.438 nan 8.240 nan 0.000 0.455 503 E N 0.587 120.727 120.200 -0.101 0.000 2.051 503 E HA -0.056 3.243 4.350 -1.751 0.000 0.192 503 E C 2.172 178.704 176.600 -0.113 0.000 0.991 503 E CA 0.965 57.326 56.400 -0.065 0.000 0.799 503 E CB -0.265 29.388 29.700 -0.078 0.000 0.748 503 E HN 0.495 nan 8.360 nan 0.000 0.449 504 I N 0.751 121.180 120.570 -0.236 0.000 2.567 504 I HA -0.274 2.845 4.170 -1.751 0.000 0.257 504 I C 2.208 178.196 176.117 -0.216 0.000 1.184 504 I CA 0.418 61.588 61.300 -0.216 0.000 1.451 504 I CB -0.296 37.544 38.000 -0.267 0.000 1.089 504 I HN 0.263 nan 8.210 nan 0.000 0.441 505 C N 0.642 119.763 119.300 -0.299 0.000 2.486 505 C HA -0.027 3.382 4.460 -1.751 0.000 0.279 505 C C 2.721 177.770 174.990 0.097 0.000 1.302 505 C CA 0.233 59.136 59.018 -0.193 0.000 1.720 505 C CB -0.548 26.990 27.740 -0.337 0.000 2.030 505 C HN 0.416 nan 8.230 nan 0.000 0.490 506 I N 0.732 121.399 120.570 0.162 0.000 2.179 506 I HA -0.275 2.844 4.170 -1.751 0.000 0.242 506 I C 2.780 178.923 176.117 0.045 0.000 1.088 506 I CA 1.639 63.028 61.300 0.147 0.000 1.357 506 I CB -0.720 37.352 38.000 0.120 0.000 1.051 506 I HN 0.458 nan 8.210 nan 0.000 0.409 507 Q N 0.532 120.334 119.800 0.002 0.000 2.297 507 Q HA -0.278 3.012 4.340 -1.751 0.000 0.208 507 Q C 1.928 177.912 176.000 -0.027 0.000 0.981 507 Q CA 1.469 57.254 55.803 -0.029 0.000 0.876 507 Q CB 0.116 28.823 28.738 -0.052 0.000 0.921 507 Q HN 0.374 nan 8.270 nan 0.000 0.446 508 Q N -1.703 118.090 119.800 -0.012 0.000 2.319 508 Q HA 0.151 3.441 4.340 -1.751 0.000 0.202 508 Q C 0.639 176.634 176.000 -0.008 0.000 0.896 508 Q CA 0.873 56.669 55.803 -0.011 0.000 0.942 508 Q CB 0.929 29.646 28.738 -0.036 0.000 1.083 508 Q HN 0.522 nan 8.270 nan 0.000 0.510 509 G N -1.261 107.549 108.800 0.017 0.000 2.545 509 G HA2 -0.228 2.682 3.960 -1.751 0.000 0.195 509 G HA3 -0.228 2.682 3.960 -1.751 0.000 0.195 509 G C -0.373 174.567 174.900 0.066 0.000 1.009 509 G CA -0.364 44.745 45.100 0.015 0.000 0.703 509 G HN 0.265 nan 8.290 nan 0.000 0.479 510 W N 3.694 124.941 121.300 -0.088 0.000 2.377 510 W HA 0.466 4.070 4.660 -1.759 0.000 0.341 510 W C 0.362 176.860 176.519 -0.035 0.000 1.240 510 W CA 0.513 57.819 57.345 -0.066 0.000 1.311 510 W CB 0.483 29.904 29.460 -0.065 0.000 1.175 510 W HN 0.091 nan 8.180 nan 0.000 0.571 511 K N 6.150 126.140 120.400 -0.683 0.000 2.419 511 K HA 0.508 3.777 4.320 -1.751 0.000 0.244 511 K C -0.136 175.774 176.600 -1.149 0.000 1.045 511 K CA -0.630 55.264 56.287 -0.656 0.000 1.004 511 K CB 0.599 32.875 32.500 -0.373 0.000 1.376 511 K HN 0.476 nan 8.250 nan 0.000 0.460 512 A N 3.820 125.965 122.820 -1.125 0.000 2.522 512 A HA 0.157 3.427 4.320 -1.751 0.000 0.256 512 A C -1.622 175.619 177.584 -0.571 0.000 1.086 512 A CA -0.893 50.490 52.037 -1.089 0.000 0.763 512 A CB -0.085 18.748 19.000 -0.279 0.000 1.024 512 A HN 0.460 nan 8.150 nan 0.000 0.502 513 P HA -0.011 nan 4.420 nan 0.000 0.242 513 P C 0.028 177.183 177.300 -0.241 0.000 1.197 513 P CA -0.035 62.942 63.100 -0.204 0.000 0.765 513 P CB -0.005 31.677 31.700 -0.031 0.000 0.936 514 R N -0.698 119.489 120.500 -0.521 0.000 3.109 514 R HA -0.147 3.143 4.340 -1.751 0.000 0.241 514 R C 0.731 176.826 176.300 -0.341 0.000 0.882 514 R CA 0.429 55.968 56.100 -0.935 0.000 0.604 514 R CB -2.129 27.742 30.300 -0.715 0.000 1.040 514 R HN 0.323 nan 8.270 nan 0.000 0.480 515 G N -0.769 108.029 108.800 -0.002 0.000 2.667 515 G HA2 0.372 3.281 3.960 -1.751 0.000 0.310 515 G HA3 0.372 3.281 3.960 -1.751 0.000 0.310 515 G C 0.343 175.373 174.900 0.216 0.000 1.259 515 G CA -0.598 44.571 45.100 0.115 0.000 1.019 515 G HN 0.243 nan 8.290 nan 0.000 0.496 516 R N -1.304 119.280 120.500 0.140 0.000 2.093 516 R HA 0.125 3.415 4.340 -1.751 0.000 0.224 516 R C 0.030 176.190 176.300 -0.233 0.000 1.101 516 R CA 0.804 56.883 56.100 -0.036 0.000 0.979 516 R CB -0.098 30.162 30.300 -0.067 0.000 0.877 516 R HN 0.351 nan 8.270 nan 0.000 0.441 517 F N 1.683 121.668 119.950 0.058 0.000 2.471 517 F HA 0.291 3.766 4.527 -1.753 0.000 0.318 517 F C -1.069 174.764 175.800 0.055 0.000 1.308 517 F CA -1.089 56.755 58.000 -0.261 0.000 1.162 517 F CB 0.908 39.531 39.000 -0.628 0.000 1.383 517 F HN -0.211 nan 8.300 nan 0.000 0.552 518 D N 1.380 122.033 120.400 0.422 0.000 2.280 518 D HA 0.204 3.794 4.640 -1.751 0.000 0.243 518 D C 0.044 176.657 176.300 0.522 0.000 1.129 518 D CA -0.167 54.128 54.000 0.491 0.000 0.848 518 D CB 2.372 43.526 40.800 0.590 0.000 1.107 518 D HN -0.023 nan 8.370 nan 0.000 0.471 519 V N 4.224 124.396 119.914 0.430 0.000 2.390 519 V HA -0.007 3.062 4.120 -1.751 0.000 0.260 519 V C 1.192 177.343 176.094 0.094 0.000 1.043 519 V CA -0.283 62.149 62.300 0.221 0.000 1.047 519 V CB -0.498 31.413 31.823 0.147 0.000 1.066 519 V HN 0.400 nan 8.190 nan 0.000 0.481 520 L N 8.200 129.391 121.223 -0.054 0.000 2.498 520 L HA 0.116 3.406 4.340 -1.751 0.000 0.293 520 L C -1.567 175.103 176.870 -0.333 0.000 1.271 520 L CA -0.596 54.046 54.840 -0.329 0.000 0.831 520 L CB 0.335 42.296 42.059 -0.163 0.000 1.091 520 L HN 0.460 nan 8.230 nan 0.000 0.535 521 P HA 0.287 nan 4.420 nan 0.000 0.290 521 P C -1.156 176.074 177.300 -0.117 0.000 1.283 521 P CA -0.676 62.214 63.100 -0.350 0.000 0.869 521 P CB 1.282 32.598 31.700 -0.639 0.000 1.100 522 L N 1.991 123.228 121.223 0.023 0.000 2.397 522 L HA 0.325 3.615 4.340 -1.751 0.000 0.271 522 L C 0.756 177.700 176.870 0.122 0.000 1.148 522 L CA -0.404 54.504 54.840 0.114 0.000 0.825 522 L CB 0.267 42.425 42.059 0.165 0.000 1.117 522 L HN 0.266 nan 8.230 nan 0.000 0.456 523 L N 5.128 126.443 121.223 0.153 0.000 2.366 523 L HA 0.459 3.749 4.340 -1.751 0.000 0.266 523 L C -0.942 175.907 176.870 -0.036 0.000 1.010 523 L CA -0.391 54.453 54.840 0.006 0.000 0.879 523 L CB 0.894 42.957 42.059 0.008 0.000 1.228 523 L HN 0.529 nan 8.230 nan 0.000 0.439 524 L N 3.835 125.046 121.223 -0.020 0.000 2.309 524 L HA 0.481 3.771 4.340 -1.751 0.000 0.282 524 L C -0.132 176.640 176.870 -0.163 0.000 1.036 524 L CA -0.279 54.526 54.840 -0.059 0.000 0.806 524 L CB 1.716 43.740 42.059 -0.058 0.000 1.220 524 L HN 0.529 nan 8.230 nan 0.000 0.429 525 Q N 2.719 122.426 119.800 -0.156 0.000 2.331 525 Q HA 0.735 4.025 4.340 -1.751 0.000 0.267 525 Q C -1.437 174.423 176.000 -0.233 0.000 1.006 525 Q CA -0.622 55.051 55.803 -0.217 0.000 0.818 525 Q CB 2.125 30.797 28.738 -0.110 0.000 1.276 525 Q HN 0.785 nan 8.270 nan 0.000 0.450 526 A N 3.944 126.562 122.820 -0.336 0.000 2.365 526 A HA 0.423 3.692 4.320 -1.751 0.000 0.318 526 A C 0.157 177.261 177.584 -0.801 0.000 1.091 526 A CA -0.507 51.121 52.037 -0.681 0.000 0.763 526 A CB 1.051 19.886 19.000 -0.275 0.000 1.248 526 A HN 1.016 nan 8.150 nan 0.000 0.442 527 N N 0.214 118.017 118.700 -1.496 0.000 2.678 527 N HA -0.253 3.436 4.740 -1.751 0.000 0.249 527 N C 1.057 176.378 175.510 -0.316 0.000 1.119 527 N CA 2.469 55.133 53.050 -0.644 0.000 0.718 527 N CB -0.770 37.574 38.487 -0.238 0.000 1.060 527 N HN 2.170 nan 8.380 nan 0.000 0.552 528 G N -1.824 106.783 108.800 -0.321 0.000 2.176 528 G HA2 -0.312 2.598 3.960 -1.751 0.000 0.253 528 G HA3 -0.312 2.598 3.960 -1.751 0.000 0.253 528 G C 0.238 175.087 174.900 -0.086 0.000 0.979 528 G CA 0.411 45.418 45.100 -0.155 0.000 0.641 528 G HN 0.529 nan 8.290 nan 0.000 0.530 529 N N 1.108 119.710 118.700 -0.163 0.000 2.347 529 N HA 0.351 4.041 4.740 -1.751 0.000 0.253 529 N C -0.183 175.217 175.510 -0.183 0.000 1.274 529 N CA -0.304 52.680 53.050 -0.110 0.000 0.941 529 N CB 0.241 38.661 38.487 -0.111 0.000 1.200 529 N HN 0.170 nan 8.380 nan 0.000 0.514 530 D N 1.218 121.531 120.400 -0.144 0.000 2.472 530 D HA 0.084 3.673 4.640 -1.751 0.000 0.237 530 D C -1.871 174.169 176.300 -0.433 0.000 1.141 530 D CA -0.289 53.514 54.000 -0.328 0.000 0.875 530 D CB 0.076 40.800 40.800 -0.127 0.000 1.192 530 D HN 0.270 nan 8.370 nan 0.000 0.450 531 P HA 0.116 nan 4.420 nan 0.000 0.275 531 P C -0.690 176.360 177.300 -0.417 0.000 1.228 531 P CA -0.209 62.484 63.100 -0.678 0.000 0.786 531 P CB 1.082 31.973 31.700 -1.348 0.000 0.927 532 E N 1.077 121.118 120.200 -0.264 0.000 2.263 532 E HA 0.503 3.803 4.350 -1.751 0.000 0.264 532 E C -0.494 175.929 176.600 -0.295 0.000 0.923 532 E CA -1.038 55.204 56.400 -0.262 0.000 0.802 532 E CB 1.628 31.191 29.700 -0.229 0.000 1.228 532 E HN 0.373 nan 8.360 nan 0.000 0.417 533 L N 1.856 122.782 121.223 -0.496 0.000 2.343 533 L HA 0.560 3.850 4.340 -1.751 0.000 0.275 533 L C -0.956 175.397 176.870 -0.863 0.000 1.056 533 L CA -0.465 54.118 54.840 -0.427 0.000 0.804 533 L CB 0.509 42.406 42.059 -0.270 0.000 1.203 533 L HN 0.454 nan 8.230 nan 0.000 0.440 534 F N 0.051 119.805 119.950 -0.327 0.000 2.641 534 F HA 0.331 3.458 4.527 -2.333 0.000 0.308 534 F C -0.323 175.308 175.800 -0.282 0.000 1.105 534 F CA -0.663 57.016 58.000 -0.534 0.000 0.964 534 F CB 1.806 40.144 39.000 -1.104 0.000 1.294 534 F HN 0.305 nan 8.300 nan 0.000 0.442 535 Q N 3.149 122.936 119.800 -0.021 0.000 2.314 535 Q HA 0.538 3.827 4.340 -1.751 0.000 0.259 535 Q C -0.687 175.487 176.000 0.289 0.000 0.951 535 Q CA -0.598 55.281 55.803 0.128 0.000 0.909 535 Q CB 1.271 30.090 28.738 0.136 0.000 1.236 535 Q HN 0.711 nan 8.270 nan 0.000 0.444 536 I N 6.159 126.896 120.570 0.278 0.000 2.710 536 I HA 0.004 3.123 4.170 -1.751 0.000 0.286 536 I C -1.953 174.289 176.117 0.208 0.000 1.181 536 I CA -1.573 59.891 61.300 0.274 0.000 1.430 536 I CB 0.433 38.507 38.000 0.122 0.000 1.367 536 I HN 0.451 nan 8.210 nan 0.000 0.577 537 P HA 0.032 nan 4.420 nan 0.000 0.260 537 P C -1.977 175.380 177.300 0.096 0.000 1.207 537 P CA -0.778 62.404 63.100 0.137 0.000 0.780 537 P CB 0.204 31.962 31.700 0.096 0.000 0.789 538 P HA -0.266 nan 4.420 nan 0.000 0.219 538 P C 1.285 178.623 177.300 0.064 0.000 1.153 538 P CA 1.512 64.663 63.100 0.086 0.000 0.865 538 P CB -0.215 31.538 31.700 0.088 0.000 0.788 539 E N -1.140 119.094 120.200 0.056 0.000 2.516 539 E HA -0.095 3.204 4.350 -1.751 0.000 0.199 539 E C 1.177 177.796 176.600 0.032 0.000 1.069 539 E CA 0.785 57.208 56.400 0.040 0.000 0.876 539 E CB -0.640 29.080 29.700 0.034 0.000 0.843 539 E HN 0.237 nan 8.360 nan 0.000 0.530 540 L N 0.668 121.913 121.223 0.036 0.000 2.616 540 L HA 0.157 3.447 4.340 -1.751 0.000 0.229 540 L C 0.392 177.279 176.870 0.028 0.000 1.110 540 L CA 0.131 54.986 54.840 0.026 0.000 0.884 540 L CB 0.865 42.934 42.059 0.015 0.000 1.115 540 L HN -0.130 nan 8.230 nan 0.000 0.481 541 V N 1.906 121.841 119.914 0.036 0.000 2.270 541 V HA 0.209 3.279 4.120 -1.751 0.000 0.263 541 V C -0.010 176.111 176.094 0.045 0.000 1.066 541 V CA -0.816 61.505 62.300 0.035 0.000 0.857 541 V CB 1.013 32.858 31.823 0.037 0.000 1.099 541 V HN 0.025 nan 8.190 nan 0.000 0.476 542 L N 5.309 126.556 121.223 0.041 0.000 2.418 542 L HA 0.411 3.701 4.340 -1.751 0.000 0.274 542 L C 0.130 177.019 176.870 0.032 0.000 1.135 542 L CA 0.699 55.552 54.840 0.022 0.000 0.870 542 L CB 0.140 42.202 42.059 0.005 0.000 1.154 542 L HN 0.624 nan 8.230 nan 0.000 0.462 543 E N 3.577 123.782 120.200 0.010 0.000 2.288 543 E HA 0.576 3.875 4.350 -1.751 0.000 0.268 543 E C -1.403 175.151 176.600 -0.077 0.000 0.885 543 E CA -1.012 55.400 56.400 0.020 0.000 0.767 543 E CB 2.500 32.252 29.700 0.088 0.000 1.220 543 E HN 0.418 nan 8.360 nan 0.000 0.427 544 V N 3.602 123.448 119.914 -0.114 0.000 2.409 544 V HA 0.334 3.404 4.120 -1.751 0.000 0.291 544 V C -2.250 173.839 176.094 -0.008 0.000 1.020 544 V CA -1.873 60.325 62.300 -0.171 0.000 0.848 544 V CB 1.472 32.987 31.823 -0.514 0.000 0.990 544 V HN 0.554 nan 8.190 nan 0.000 0.430 545 P HA 0.297 nan 4.420 nan 0.000 0.282 545 P C -0.769 176.584 177.300 0.088 0.000 1.262 545 P CA -0.272 62.838 63.100 0.017 0.000 0.773 545 P CB 1.095 32.794 31.700 -0.003 0.000 0.879 546 I N 5.197 125.857 120.570 0.150 0.000 2.379 546 I HA 0.233 3.353 4.170 -1.751 0.000 0.290 546 I C 1.282 177.609 176.117 0.351 0.000 1.063 546 I CA -0.015 61.448 61.300 0.272 0.000 1.351 546 I CB -0.574 37.657 38.000 0.387 0.000 1.410 546 I HN 0.431 nan 8.210 nan 0.000 0.505 547 R N 4.660 125.349 120.500 0.314 0.000 2.744 547 R HA 0.461 3.751 4.340 -1.751 0.000 0.279 547 R C -1.279 175.082 176.300 0.102 0.000 0.977 547 R CA -0.898 55.402 56.100 0.333 0.000 0.906 547 R CB 1.470 31.906 30.300 0.226 0.000 1.197 547 R HN 0.541 nan 8.270 nan 0.000 0.463 548 H N 2.246 121.155 119.070 -0.269 0.000 2.525 548 H HA 0.308 3.814 4.556 -1.751 0.000 0.339 548 H C -1.653 173.366 175.328 -0.514 0.000 1.109 548 H CA -1.466 54.191 56.048 -0.651 0.000 1.352 548 H CB 1.782 30.943 29.762 -1.001 0.000 1.461 548 H HN 0.378 nan 8.280 nan 0.000 0.533 549 P HA 0.005 nan 4.420 nan 0.000 0.239 549 P C -0.198 176.849 177.300 -0.423 0.000 1.184 549 P CA 1.206 63.686 63.100 -1.032 0.000 0.760 549 P CB 0.399 31.305 31.700 -1.323 0.000 0.884 550 K N -3.103 117.221 120.400 -0.127 0.000 2.603 550 K HA 0.197 3.467 4.320 -1.751 0.000 0.216 550 K C -0.052 176.762 176.600 0.357 0.000 1.562 550 K CA -0.076 56.258 56.287 0.077 0.000 1.012 550 K CB 0.698 33.221 32.500 0.039 0.000 1.280 550 K HN 0.063 nan 8.250 nan 0.000 0.620 551 F N 2.245 122.167 119.950 -0.046 0.000 2.291 551 F HA 0.161 3.637 4.527 -1.751 0.000 0.368 551 F C 0.763 176.324 175.800 -0.398 0.000 1.085 551 F CA -0.818 56.963 58.000 -0.364 0.000 1.165 551 F CB 0.935 39.370 39.000 -0.942 0.000 1.429 551 F HN -0.062 nan 8.300 nan 0.000 0.503 552 D N 3.258 123.701 120.400 0.071 0.000 2.384 552 D HA -0.144 3.446 4.640 -1.751 0.000 0.222 552 D C 1.733 178.095 176.300 0.103 0.000 0.976 552 D CA 0.882 54.933 54.000 0.085 0.000 0.915 552 D CB 0.169 41.046 40.800 0.129 0.000 0.896 552 D HN 0.657 nan 8.370 nan 0.000 0.523 553 W N -1.073 120.344 121.300 0.194 0.000 2.863 553 W HA 0.043 3.653 4.660 -1.751 0.000 0.258 553 W C 1.463 178.075 176.519 0.156 0.000 1.298 553 W CA -0.505 56.914 57.345 0.124 0.000 1.451 553 W CB -1.353 28.137 29.460 0.050 0.000 1.107 553 W HN -0.172 nan 8.180 nan 0.000 0.641 554 F N 3.989 123.520 119.950 -0.698 0.000 2.043 554 F HA -0.284 3.193 4.527 -1.751 0.000 0.297 554 F C 2.721 178.449 175.800 -0.119 0.000 1.121 554 F CA 3.496 61.139 58.000 -0.595 0.000 1.199 554 F CB -0.417 38.253 39.000 -0.550 0.000 0.968 554 F HN -0.122 nan 8.300 nan 0.000 0.478 555 K N -0.598 119.853 120.400 0.086 0.000 2.366 555 K HA -0.219 3.051 4.320 -1.751 0.000 0.202 555 K C 1.105 177.716 176.600 0.018 0.000 1.045 555 K CA 1.957 58.286 56.287 0.070 0.000 0.934 555 K CB -0.651 31.907 32.500 0.097 0.000 0.746 555 K HN 0.285 nan 8.250 nan 0.000 0.470 556 D N 0.856 121.281 120.400 0.041 0.000 2.349 556 D HA 0.017 3.606 4.640 -1.751 0.000 0.224 556 D C 1.548 177.864 176.300 0.027 0.000 1.029 556 D CA 0.444 54.482 54.000 0.063 0.000 0.879 556 D CB 0.150 41.027 40.800 0.129 0.000 0.906 556 D HN 0.287 nan 8.370 nan 0.000 0.528 557 L N -0.081 121.100 121.223 -0.070 0.000 2.313 557 L HA 0.048 3.337 4.340 -1.751 0.000 0.214 557 L C 1.411 178.254 176.870 -0.045 0.000 1.119 557 L CA 0.581 55.354 54.840 -0.111 0.000 0.809 557 L CB -0.176 41.654 42.059 -0.381 0.000 0.933 557 L HN 0.084 nan 8.230 nan 0.000 0.449 558 G N 0.888 109.668 108.800 -0.034 0.000 2.256 558 G HA2 -0.258 2.652 3.960 -1.751 0.000 0.272 558 G HA3 -0.258 2.652 3.960 -1.751 0.000 0.272 558 G C -0.148 174.748 174.900 -0.006 0.000 1.076 558 G CA -0.205 44.905 45.100 0.017 0.000 0.882 558 G HN 0.198 nan 8.290 nan 0.000 0.497 559 L N -0.197 120.965 121.223 -0.102 0.000 2.317 559 L HA 0.777 4.067 4.340 -1.751 0.000 0.281 559 L C 0.494 177.238 176.870 -0.209 0.000 1.024 559 L CA -0.820 53.916 54.840 -0.174 0.000 0.810 559 L CB 1.865 43.820 42.059 -0.174 0.000 1.240 559 L HN 0.489 nan 8.230 nan 0.000 0.427 560 K N 2.127 122.239 120.400 -0.479 0.000 2.533 560 K HA 0.560 3.830 4.320 -1.751 0.000 0.272 560 K C -1.951 174.699 176.600 0.083 0.000 0.985 560 K CA -0.990 55.169 56.287 -0.213 0.000 0.876 560 K CB 2.779 35.071 32.500 -0.347 0.000 1.452 560 K HN 0.573 nan 8.250 nan 0.000 0.439 561 W N 2.131 123.471 121.300 0.068 0.000 3.075 561 W HA 0.361 3.974 4.660 -1.745 0.000 0.334 561 W C -1.356 175.305 176.519 0.237 0.000 1.243 561 W CA -0.897 56.571 57.345 0.206 0.000 1.170 561 W CB 1.756 31.189 29.460 -0.044 0.000 1.452 561 W HN 0.708 nan 8.180 nan 0.000 0.572 562 Y N 0.139 120.301 120.300 -0.229 0.000 2.301 562 Y HA 0.588 4.092 4.550 -1.744 0.000 0.325 562 Y C 0.916 176.998 175.900 0.303 0.000 1.203 562 Y CA -0.179 57.888 58.100 -0.055 0.000 1.255 562 Y CB 0.526 38.816 38.460 -0.283 0.000 1.232 562 Y HN 0.424 nan 8.280 nan 0.000 0.501 563 G N 1.597 110.630 108.800 0.388 0.000 2.683 563 G HA2 0.038 2.947 3.960 -1.751 0.000 0.213 563 G HA3 0.038 2.947 3.960 -1.751 0.000 0.213 563 G C -0.365 174.890 174.900 0.591 0.000 1.142 563 G CA -0.001 45.398 45.100 0.500 0.000 0.793 563 G HN 0.502 nan 8.290 nan 0.000 0.534 564 L N 2.649 124.158 121.223 0.476 0.000 2.262 564 L HA 0.480 3.770 4.340 -1.751 0.000 0.288 564 L C -2.307 174.718 176.870 0.257 0.000 1.035 564 L CA -2.835 52.189 54.840 0.307 0.000 0.820 564 L CB 1.636 43.802 42.059 0.178 0.000 1.204 564 L HN -0.163 nan 8.230 nan 0.000 0.424 565 P HA 0.373 nan 4.420 nan 0.000 0.293 565 P C -1.456 175.744 177.300 -0.168 0.000 1.313 565 P CA -0.445 62.524 63.100 -0.218 0.000 0.787 565 P CB 1.557 32.713 31.700 -0.906 0.000 0.910 566 A N 4.384 127.098 122.820 -0.177 0.000 2.702 566 A HA 0.379 3.649 4.320 -1.751 0.000 0.305 566 A C -0.262 177.067 177.584 -0.425 0.000 1.213 566 A CA -0.620 51.247 52.037 -0.283 0.000 0.745 566 A CB 0.570 19.439 19.000 -0.217 0.000 1.161 566 A HN 0.292 nan 8.150 nan 0.000 0.445 567 V N 2.636 122.151 119.914 -0.664 0.000 2.540 567 V HA 0.188 3.257 4.120 -1.751 0.000 0.297 567 V C 1.309 176.936 176.094 -0.778 0.000 1.024 567 V CA 1.414 63.272 62.300 -0.738 0.000 1.105 567 V CB 0.901 32.135 31.823 -0.981 0.000 0.938 567 V HN 1.089 nan 8.190 nan 0.000 0.482 568 S N 1.729 117.166 115.700 -0.438 0.000 2.687 568 S HA 0.033 3.452 4.470 -1.751 0.000 0.247 568 S C 0.958 175.461 174.600 -0.163 0.000 1.050 568 S CA 0.045 58.071 58.200 -0.290 0.000 1.063 568 S CB -0.095 62.974 63.200 -0.218 0.000 1.039 568 S HN 0.800 nan 8.310 nan 0.000 0.580 569 N N 1.303 119.903 118.700 -0.166 0.000 2.322 569 N HA 0.262 3.952 4.740 -1.751 0.000 0.194 569 N C 0.192 175.678 175.510 -0.040 0.000 1.126 569 N CA -0.136 52.846 53.050 -0.113 0.000 0.845 569 N CB -0.377 38.015 38.487 -0.159 0.000 0.976 569 N HN 0.401 nan 8.380 nan 0.000 0.475 570 M N 0.027 119.643 119.600 0.026 0.000 2.371 570 M HA 0.310 3.740 4.480 -1.751 0.000 0.301 570 M C -0.753 175.672 176.300 0.208 0.000 1.173 570 M CA -1.096 54.304 55.300 0.166 0.000 1.020 570 M CB 1.237 34.010 32.600 0.289 0.000 1.490 570 M HN 0.033 nan 8.290 nan 0.000 0.485 571 L N 2.489 123.852 121.223 0.233 0.000 2.333 571 L HA 0.560 3.850 4.340 -1.751 0.000 0.280 571 L C -1.604 175.403 176.870 0.229 0.000 1.004 571 L CA -0.777 54.185 54.840 0.204 0.000 0.820 571 L CB 1.285 43.415 42.059 0.119 0.000 1.247 571 L HN 0.576 nan 8.230 nan 0.000 0.416 572 L N 4.700 126.065 121.223 0.235 0.000 2.275 572 L HA 0.526 3.815 4.340 -1.751 0.000 0.288 572 L C -0.312 176.633 176.870 0.124 0.000 1.046 572 L CA 0.247 55.136 54.840 0.081 0.000 0.805 572 L CB 1.019 43.089 42.059 0.019 0.000 1.193 572 L HN 0.848 nan 8.230 nan 0.000 0.426 573 E N 5.942 126.122 120.200 -0.033 0.000 2.145 573 E HA 0.535 3.834 4.350 -1.751 0.000 0.270 573 E C -1.492 175.054 176.600 -0.091 0.000 0.906 573 E CA -0.520 55.869 56.400 -0.018 0.000 0.761 573 E CB 1.038 30.708 29.700 -0.049 0.000 1.116 573 E HN 0.697 nan 8.360 nan 0.000 0.408 574 I N 3.149 123.670 120.570 -0.082 0.000 2.533 574 I HA 0.316 3.436 4.170 -1.751 0.000 0.290 574 I C 0.718 176.568 176.117 -0.446 0.000 1.056 574 I CA -0.839 60.251 61.300 -0.351 0.000 1.057 574 I CB 2.125 39.885 38.000 -0.400 0.000 1.240 574 I HN 0.874 nan 8.210 nan 0.000 0.423 575 G N 4.084 112.511 108.800 -0.621 0.000 2.416 575 G HA2 -0.129 2.781 3.960 -1.751 0.000 0.301 575 G HA3 -0.129 2.781 3.960 -1.751 0.000 0.301 575 G C 1.058 175.982 174.900 0.039 0.000 0.985 575 G CA 0.965 45.955 45.100 -0.183 0.000 0.934 575 G HN 1.617 nan 8.290 nan 0.000 0.513 576 G N -2.085 106.703 108.800 -0.020 0.000 2.234 576 G HA2 -0.265 2.644 3.960 -1.751 0.000 0.260 576 G HA3 -0.265 2.644 3.960 -1.751 0.000 0.260 576 G C 0.557 175.427 174.900 -0.050 0.000 0.987 576 G CA 0.614 45.719 45.100 0.008 0.000 0.625 576 G HN 1.271 nan 8.290 nan 0.000 0.532 577 L N 0.692 121.835 121.223 -0.134 0.000 2.418 577 L HA 0.587 3.877 4.340 -1.751 0.000 0.265 577 L C 0.491 177.170 176.870 -0.319 0.000 1.143 577 L CA -0.426 54.233 54.840 -0.302 0.000 0.809 577 L CB 0.853 42.621 42.059 -0.486 0.000 1.124 577 L HN 0.193 nan 8.230 nan 0.000 0.456 578 E N 1.813 121.743 120.200 -0.450 0.000 2.187 578 E HA 0.412 3.712 4.350 -1.751 0.000 0.268 578 E C -1.550 174.750 176.600 -0.500 0.000 0.896 578 E CA -0.459 55.759 56.400 -0.304 0.000 0.766 578 E CB 1.938 31.549 29.700 -0.149 0.000 1.142 578 E HN 0.266 nan 8.360 nan 0.000 0.408 579 F N 1.605 121.537 119.950 -0.030 0.000 2.443 579 F HA 0.104 3.578 4.527 -1.754 0.000 0.369 579 F C 1.344 177.179 175.800 0.059 0.000 1.090 579 F CA -0.606 57.395 58.000 0.003 0.000 1.129 579 F CB 1.224 40.210 39.000 -0.024 0.000 1.367 579 F HN 0.415 nan 8.300 nan 0.000 0.465 580 S N 0.871 116.674 115.700 0.171 0.000 2.537 580 S HA 0.159 3.579 4.470 -1.751 0.000 0.240 580 S C 0.788 175.497 174.600 0.181 0.000 0.981 580 S CA 0.441 58.730 58.200 0.148 0.000 0.948 580 S CB -0.050 63.214 63.200 0.107 0.000 0.759 580 S HN 0.496 nan 8.310 nan 0.000 0.531 581 A N 0.735 123.708 122.820 0.254 0.000 2.522 581 A HA 0.580 3.849 4.320 -1.751 0.000 0.285 581 A C -0.154 177.643 177.584 0.354 0.000 1.198 581 A CA -0.587 51.611 52.037 0.269 0.000 0.742 581 A CB 0.302 19.457 19.000 0.259 0.000 1.176 581 A HN 1.005 nan 8.150 nan 0.000 0.444 582 C N 0.732 120.195 119.300 0.273 0.000 3.327 582 C HA 0.466 3.876 4.460 -1.751 0.000 0.192 582 C C -2.635 172.478 174.990 0.205 0.000 1.603 582 C CA -1.832 57.332 59.018 0.243 0.000 1.222 582 C CB -0.359 27.537 27.740 0.260 0.000 1.981 582 C HN 0.575 nan 8.230 nan 0.000 0.563 583 P HA 0.197 nan 4.420 nan 0.000 0.263 583 P C -0.605 176.669 177.300 -0.042 0.000 1.175 583 P CA 1.157 64.184 63.100 -0.122 0.000 0.761 583 P CB 0.295 31.883 31.700 -0.186 0.000 0.794 584 F N 0.040 119.907 119.950 -0.139 0.000 2.588 584 F HA 0.737 4.215 4.527 -1.748 0.000 0.310 584 F C -0.580 175.138 175.800 -0.135 0.000 1.082 584 F CA -1.250 56.690 58.000 -0.100 0.000 0.929 584 F CB 1.636 40.474 39.000 -0.270 0.000 1.254 584 F HN 0.389 nan 8.300 nan 0.000 0.455 585 S N 1.027 116.845 115.700 0.196 0.000 2.595 585 S HA 0.989 4.409 4.470 -1.751 0.000 0.281 585 S C -0.663 173.931 174.600 -0.011 0.000 1.117 585 S CA -0.075 58.168 58.200 0.071 0.000 0.873 585 S CB 1.687 65.005 63.200 0.197 0.000 1.108 585 S HN 1.561 nan 8.310 nan 0.000 0.477 586 G N 0.039 108.792 108.800 -0.079 0.000 3.551 586 G HA2 0.645 3.554 3.960 -1.751 0.000 0.174 586 G HA3 0.645 3.554 3.960 -1.751 0.000 0.174 586 G C -1.528 173.412 174.900 0.067 0.000 1.280 586 G CA 0.012 45.012 45.100 -0.165 0.000 1.236 586 G HN 1.367 nan 8.290 nan 0.000 0.731 587 W N -1.207 120.096 121.300 0.004 0.000 3.146 587 W HA 0.780 4.388 4.660 -1.752 0.000 0.319 587 W C -1.729 174.794 176.519 0.006 0.000 1.258 587 W CA -2.293 55.072 57.345 0.033 0.000 1.189 587 W CB 0.188 29.717 29.460 0.115 0.000 1.412 587 W HN 0.467 nan 8.180 nan 0.000 0.567 588 Y N 2.627 123.145 120.300 0.363 0.000 2.379 588 Y HA 0.342 3.842 4.550 -1.751 0.000 0.337 588 Y C 0.929 176.914 175.900 0.142 0.000 1.238 588 Y CA -0.497 57.695 58.100 0.153 0.000 1.405 588 Y CB 1.159 39.617 38.460 -0.005 0.000 1.310 588 Y HN 0.424 nan 8.280 nan 0.000 0.569 589 M N 2.270 122.032 119.600 0.270 0.000 2.205 589 M HA 0.329 3.759 4.480 -1.751 0.000 0.344 589 M C 1.049 177.357 176.300 0.013 0.000 1.085 589 M CA -0.171 55.212 55.300 0.138 0.000 1.001 589 M CB 1.269 33.924 32.600 0.093 0.000 1.626 589 M HN 0.904 nan 8.290 nan 0.000 0.442 590 G N 1.957 110.728 108.800 -0.048 0.000 2.766 590 G HA2 -0.401 2.508 3.960 -1.751 0.000 0.222 590 G HA3 -0.401 2.508 3.960 -1.751 0.000 0.222 590 G C 1.164 175.934 174.900 -0.218 0.000 1.225 590 G CA 2.332 47.335 45.100 -0.162 0.000 0.784 590 G HN 0.918 nan 8.290 nan 0.000 0.631 591 T N -0.716 113.750 114.554 -0.148 0.000 2.751 591 T HA -0.227 3.072 4.350 -1.751 0.000 0.268 591 T C 1.931 176.481 174.700 -0.251 0.000 1.045 591 T CA 2.096 64.064 62.100 -0.219 0.000 1.142 591 T CB -0.556 68.158 68.868 -0.257 0.000 0.851 591 T HN 0.613 nan 8.240 nan 0.000 0.474 592 E N 0.829 120.903 120.200 -0.211 0.000 2.070 592 E HA -0.115 3.184 4.350 -1.751 0.000 0.197 592 E C 2.177 178.533 176.600 -0.408 0.000 1.004 592 E CA 1.840 58.121 56.400 -0.198 0.000 0.805 592 E CB -0.341 29.373 29.700 0.023 0.000 0.744 592 E HN 0.658 nan 8.360 nan 0.000 0.451 593 I N -0.109 120.058 120.570 -0.672 0.000 2.364 593 I HA -0.043 3.077 4.170 -1.751 0.000 0.241 593 I C 2.608 178.151 176.117 -0.955 0.000 1.082 593 I CA 0.903 61.518 61.300 -1.141 0.000 1.401 593 I CB -0.533 36.584 38.000 -1.472 0.000 1.126 593 I HN 0.091 nan 8.210 nan 0.000 0.429 594 G N 0.527 108.971 108.800 -0.594 0.000 2.448 594 G HA2 -0.100 2.810 3.960 -1.751 0.000 0.219 594 G HA3 -0.100 2.810 3.960 -1.751 0.000 0.219 594 G C 1.556 176.386 174.900 -0.117 0.000 1.127 594 G CA 0.930 45.888 45.100 -0.236 0.000 0.766 594 G HN 0.233 nan 8.290 nan 0.000 0.552 595 V N -0.206 119.590 119.914 -0.196 0.000 2.599 595 V HA 0.119 3.189 4.120 -1.751 0.000 0.237 595 V C 2.708 178.724 176.094 -0.130 0.000 1.081 595 V CA 0.703 62.919 62.300 -0.140 0.000 1.107 595 V CB -0.144 31.570 31.823 -0.182 0.000 0.808 595 V HN 0.091 nan 8.190 nan 0.000 0.486 596 R N 0.582 120.971 120.500 -0.185 0.000 2.057 596 R HA 0.002 3.292 4.340 -1.751 0.000 0.224 596 R C 1.914 178.138 176.300 -0.126 0.000 1.136 596 R CA 1.361 57.371 56.100 -0.149 0.000 0.968 596 R CB -0.887 29.313 30.300 -0.167 0.000 0.863 596 R HN 0.496 nan 8.270 nan 0.000 0.433 597 D N -0.087 120.152 120.400 -0.268 0.000 2.149 597 D HA -0.120 3.469 4.640 -1.751 0.000 0.201 597 D C 1.964 178.214 176.300 -0.082 0.000 0.972 597 D CA 1.152 54.973 54.000 -0.298 0.000 0.835 597 D CB -0.076 40.201 40.800 -0.871 0.000 0.966 597 D HN 0.344 nan 8.370 nan 0.000 0.476 598 Y N -0.186 119.976 120.300 -0.230 0.000 2.347 598 Y HA -0.046 3.453 4.550 -1.751 0.000 0.294 598 Y C 2.409 178.330 175.900 0.035 0.000 1.117 598 Y CA 0.202 58.254 58.100 -0.079 0.000 1.184 598 Y CB 0.395 38.789 38.460 -0.111 0.000 1.047 598 Y HN 0.024 nan 8.280 nan 0.000 0.546 599 C N -0.987 118.408 119.300 0.158 0.000 2.935 599 C HA 0.130 3.539 4.460 -1.751 0.000 0.308 599 C C 0.298 175.326 174.990 0.064 0.000 1.263 599 C CA -0.678 58.402 59.018 0.102 0.000 1.738 599 C CB -0.681 27.095 27.740 0.060 0.000 2.237 599 C HN 0.252 nan 8.230 nan 0.000 0.600 600 D N 1.735 122.161 120.400 0.044 0.000 2.525 600 D HA -0.023 3.566 4.640 -1.751 0.000 0.235 600 D C 0.916 177.249 176.300 0.055 0.000 1.137 600 D CA 0.608 54.625 54.000 0.029 0.000 0.868 600 D CB 0.350 41.164 40.800 0.022 0.000 1.180 600 D HN 0.161 nan 8.370 nan 0.000 0.465 601 N N 0.310 119.033 118.700 0.039 0.000 2.149 601 N HA -0.136 3.553 4.740 -1.751 0.000 0.188 601 N C 0.926 176.466 175.510 0.050 0.000 1.019 601 N CA 0.930 54.008 53.050 0.046 0.000 0.857 601 N CB 0.172 38.679 38.487 0.034 0.000 0.997 601 N HN 0.167 nan 8.380 nan 0.000 0.426 602 S N 0.046 115.774 115.700 0.048 0.000 2.701 602 S HA 0.163 3.583 4.470 -1.751 0.000 0.220 602 S C 0.752 175.395 174.600 0.072 0.000 0.954 602 S CA 0.173 58.403 58.200 0.050 0.000 0.936 602 S CB 0.274 63.501 63.200 0.045 0.000 0.777 602 S HN 0.194 nan 8.310 nan 0.000 0.518 603 R N -0.216 120.345 120.500 0.102 0.000 2.721 603 R HA 0.348 3.638 4.340 -1.751 0.000 0.104 603 R C 0.573 176.970 176.300 0.163 0.000 1.052 603 R CA -0.472 55.735 56.100 0.178 0.000 0.852 603 R CB -0.969 29.481 30.300 0.251 0.000 0.799 603 R HN 0.163 nan 8.270 nan 0.000 0.373 604 Y N 1.658 122.039 120.300 0.135 0.000 2.616 604 Y HA -0.005 3.494 4.550 -1.752 0.000 0.296 604 Y C 0.441 176.393 175.900 0.087 0.000 1.154 604 Y CA 0.378 58.555 58.100 0.128 0.000 1.325 604 Y CB -0.793 37.802 38.460 0.226 0.000 1.007 604 Y HN 0.505 nan 8.280 nan 0.000 0.542 605 N N 1.059 119.877 118.700 0.196 0.000 2.725 605 N HA -0.235 3.455 4.740 -1.751 0.000 0.280 605 N C 0.521 176.110 175.510 0.131 0.000 1.017 605 N CA 0.705 53.835 53.050 0.133 0.000 0.813 605 N CB -0.954 37.585 38.487 0.087 0.000 0.931 605 N HN 0.621 nan 8.380 nan 0.000 0.570 606 I N -2.308 118.348 120.570 0.144 0.000 3.883 606 I HA 0.112 3.232 4.170 -1.751 0.000 0.326 606 I C 1.285 177.486 176.117 0.140 0.000 1.283 606 I CA -0.346 61.021 61.300 0.112 0.000 1.161 606 I CB -0.047 37.979 38.000 0.042 0.000 1.012 606 I HN 0.231 nan 8.210 nan 0.000 0.421 607 L N 0.932 122.257 121.223 0.169 0.000 2.012 607 L HA -0.153 3.136 4.340 -1.751 0.000 0.210 607 L C 2.756 179.819 176.870 0.321 0.000 1.073 607 L CA 1.520 56.504 54.840 0.241 0.000 0.748 607 L CB -0.645 41.536 42.059 0.203 0.000 0.891 607 L HN 0.321 nan 8.230 nan 0.000 0.431 608 E N 0.215 120.575 120.200 0.266 0.000 2.035 608 E HA -0.288 3.011 4.350 -1.751 0.000 0.204 608 E C 1.977 178.620 176.600 0.072 0.000 1.025 608 E CA 1.806 58.300 56.400 0.158 0.000 0.835 608 E CB -0.311 29.442 29.700 0.089 0.000 0.764 608 E HN 0.546 nan 8.360 nan 0.000 0.457 609 E N 0.253 120.493 120.200 0.066 0.000 2.026 609 E HA -0.204 3.096 4.350 -1.751 0.000 0.206 609 E C 2.308 178.945 176.600 0.062 0.000 1.028 609 E CA 1.784 58.205 56.400 0.036 0.000 0.845 609 E CB -0.294 29.433 29.700 0.045 0.000 0.772 609 E HN 0.053 nan 8.360 nan 0.000 0.462 610 V N 1.516 121.525 119.914 0.159 0.000 2.317 610 V HA -0.353 2.717 4.120 -1.751 0.000 0.251 610 V C 2.319 178.555 176.094 0.237 0.000 1.065 610 V CA 2.065 64.545 62.300 0.300 0.000 1.049 610 V CB -1.000 31.038 31.823 0.359 0.000 0.651 610 V HN 0.370 nan 8.190 nan 0.000 0.450 611 A N -0.218 122.718 122.820 0.194 0.000 1.841 611 A HA -0.215 3.055 4.320 -1.751 0.000 0.214 611 A C 2.281 179.831 177.584 -0.056 0.000 1.195 611 A CA 1.983 54.108 52.037 0.147 0.000 0.611 611 A CB -0.516 18.612 19.000 0.213 0.000 0.835 611 A HN 0.527 nan 8.150 nan 0.000 0.443 612 K N 0.002 120.325 120.400 -0.127 0.000 2.032 612 K HA -0.217 3.052 4.320 -1.751 0.000 0.218 612 K C 1.891 178.318 176.600 -0.287 0.000 1.054 612 K CA 1.983 58.148 56.287 -0.203 0.000 0.941 612 K CB -0.307 32.088 32.500 -0.174 0.000 0.720 612 K HN 0.373 nan 8.250 nan 0.000 0.449 613 K N 0.191 120.365 120.400 -0.377 0.000 2.520 613 K HA -0.082 3.188 4.320 -1.751 0.000 0.197 613 K C 1.815 177.823 176.600 -0.986 0.000 1.043 613 K CA 0.910 56.709 56.287 -0.812 0.000 0.944 613 K CB -0.029 31.774 32.500 -1.162 0.000 0.770 613 K HN 0.272 nan 8.250 nan 0.000 0.480 614 M N -0.168 119.155 119.600 -0.462 0.000 2.492 614 M HA -0.029 3.401 4.480 -1.751 0.000 0.255 614 M C -0.419 175.739 176.300 -0.236 0.000 1.139 614 M CA 0.175 55.308 55.300 -0.278 0.000 1.096 614 M CB 0.205 32.833 32.600 0.046 0.000 1.360 614 M HN 0.008 nan 8.290 nan 0.000 0.480 615 D N 1.925 122.182 120.400 -0.238 0.000 3.133 615 D HA -0.143 3.447 4.640 -1.751 0.000 0.239 615 D C -1.594 174.636 176.300 -0.116 0.000 1.136 615 D CA 0.497 54.384 54.000 -0.188 0.000 0.898 615 D CB -0.761 39.921 40.800 -0.198 0.000 0.959 615 D HN 0.196 nan 8.370 nan 0.000 0.415 616 L N 0.859 122.020 121.223 -0.102 0.000 2.323 616 L HA 0.493 3.782 4.340 -1.751 0.000 0.265 616 L C 0.516 177.325 176.870 -0.101 0.000 1.012 616 L CA -1.246 53.569 54.840 -0.042 0.000 0.820 616 L CB 1.240 43.336 42.059 0.061 0.000 1.334 616 L HN -0.021 nan 8.230 nan 0.000 0.427 617 D N 1.915 122.288 120.400 -0.045 0.000 2.385 617 D HA 0.071 3.661 4.640 -1.751 0.000 0.260 617 D C 0.272 176.477 176.300 -0.159 0.000 1.326 617 D CA 0.443 54.400 54.000 -0.071 0.000 1.023 617 D CB 0.620 41.421 40.800 0.002 0.000 1.083 617 D HN 0.447 nan 8.370 nan 0.000 0.517 618 M N 2.930 122.289 119.600 -0.402 0.000 2.530 618 M HA 0.128 3.558 4.480 -1.751 0.000 0.231 618 M C 1.625 177.694 176.300 -0.385 0.000 1.180 618 M CA -0.129 54.646 55.300 -0.876 0.000 0.985 618 M CB 0.437 32.356 32.600 -1.134 0.000 1.623 618 M HN 0.184 nan 8.290 nan 0.000 0.475 619 R N 1.449 121.857 120.500 -0.153 0.000 2.075 619 R HA 0.010 3.300 4.340 -1.751 0.000 0.226 619 R C 0.399 176.725 176.300 0.044 0.000 1.114 619 R CA 0.896 56.966 56.100 -0.051 0.000 0.972 619 R CB 0.069 30.347 30.300 -0.036 0.000 0.869 619 R HN 0.314 nan 8.270 nan 0.000 0.437 620 K N 0.125 120.588 120.400 0.105 0.000 2.378 620 K HA 0.256 3.525 4.320 -1.751 0.000 0.252 620 K C 0.423 177.170 176.600 0.244 0.000 0.931 620 K CA -0.406 55.968 56.287 0.146 0.000 0.794 620 K CB 1.972 34.526 32.500 0.090 0.000 1.181 620 K HN -0.135 nan 8.250 nan 0.000 0.425 621 T N -1.688 112.988 114.554 0.203 0.000 2.849 621 T HA -0.220 3.079 4.350 -1.751 0.000 0.270 621 T C 1.785 176.529 174.700 0.074 0.000 1.066 621 T CA 1.655 63.838 62.100 0.138 0.000 1.130 621 T CB -0.554 68.346 68.868 0.053 0.000 0.864 621 T HN 0.677 nan 8.240 nan 0.000 0.481 622 S N 1.774 117.520 115.700 0.078 0.000 2.595 622 S HA -0.032 3.388 4.470 -1.751 0.000 0.235 622 S C 2.000 176.642 174.600 0.069 0.000 0.974 622 S CA 0.692 58.923 58.200 0.053 0.000 0.942 622 S CB -0.869 62.358 63.200 0.045 0.000 0.766 622 S HN 0.787 nan 8.310 nan 0.000 0.536 623 S N 1.381 117.155 115.700 0.123 0.000 2.501 623 S HA 0.275 3.695 4.470 -1.751 0.000 0.220 623 S C 0.923 175.597 174.600 0.125 0.000 0.997 623 S CA 0.089 58.375 58.200 0.143 0.000 0.919 623 S CB -0.871 62.461 63.200 0.219 0.000 0.778 623 S HN 0.625 nan 8.310 nan 0.000 0.523 624 L N 1.320 122.580 121.223 0.061 0.000 3.608 624 L HA -0.158 3.132 4.340 -1.751 0.000 0.422 624 L C 1.510 178.382 176.870 0.003 0.000 1.260 624 L CA 0.615 55.432 54.840 -0.038 0.000 0.889 624 L CB -2.414 39.640 42.059 -0.009 0.000 1.821 624 L HN 0.733 nan 8.230 nan 0.000 0.884 625 W N -0.119 121.197 121.300 0.027 0.000 2.388 625 W HA -0.114 3.495 4.660 -1.751 0.000 0.294 625 W C 1.693 178.239 176.519 0.045 0.000 1.212 625 W CA 1.211 58.576 57.345 0.034 0.000 1.271 625 W CB -0.683 28.791 29.460 0.024 0.000 1.126 625 W HN 0.281 nan 8.180 nan 0.000 0.535 626 K N 0.996 120.992 120.400 -0.672 0.000 2.097 626 K HA -0.144 3.125 4.320 -1.751 0.000 0.205 626 K C 1.478 177.960 176.600 -0.197 0.000 1.050 626 K CA 2.200 58.144 56.287 -0.571 0.000 0.938 626 K CB -0.288 31.689 32.500 -0.872 0.000 0.718 626 K HN 0.039 nan 8.250 nan 0.000 0.442 627 D N 0.714 121.012 120.400 -0.169 0.000 2.117 627 D HA -0.131 3.458 4.640 -1.751 0.000 0.198 627 D C 1.940 178.245 176.300 0.009 0.000 0.982 627 D CA 1.004 54.961 54.000 -0.072 0.000 0.828 627 D CB 0.030 40.791 40.800 -0.065 0.000 0.967 627 D HN 0.175 nan 8.370 nan 0.000 0.464 628 Q N 0.040 119.875 119.800 0.058 0.000 2.079 628 Q HA -0.056 3.234 4.340 -1.751 0.000 0.200 628 Q C 2.239 178.331 176.000 0.154 0.000 0.974 628 Q CA 1.243 57.115 55.803 0.115 0.000 0.840 628 Q CB -0.111 28.718 28.738 0.151 0.000 0.898 628 Q HN 0.290 nan 8.270 nan 0.000 0.430 629 A N 0.826 123.758 122.820 0.187 0.000 1.873 629 A HA -0.181 3.088 4.320 -1.751 0.000 0.215 629 A C 2.034 179.726 177.584 0.179 0.000 1.186 629 A CA 1.109 53.288 52.037 0.237 0.000 0.616 629 A CB -0.732 18.442 19.000 0.291 0.000 0.823 629 A HN 0.354 nan 8.150 nan 0.000 0.442 630 L N 0.137 121.423 121.223 0.105 0.000 2.043 630 L HA -0.166 3.123 4.340 -1.751 0.000 0.212 630 L C 2.378 179.284 176.870 0.060 0.000 1.075 630 L CA 2.013 56.892 54.840 0.064 0.000 0.752 630 L CB -0.423 41.633 42.059 -0.004 0.000 0.891 630 L HN 0.183 nan 8.230 nan 0.000 0.432 631 V N -0.595 119.356 119.914 0.062 0.000 2.358 631 V HA -0.204 2.866 4.120 -1.751 0.000 0.246 631 V C 2.599 178.732 176.094 0.066 0.000 1.047 631 V CA 1.651 63.985 62.300 0.057 0.000 1.035 631 V CB -0.713 31.146 31.823 0.060 0.000 0.658 631 V HN 0.429 nan 8.190 nan 0.000 0.452 632 E N 0.325 120.586 120.200 0.102 0.000 2.051 632 E HA -0.153 3.146 4.350 -1.751 0.000 0.192 632 E C 2.181 178.828 176.600 0.078 0.000 0.991 632 E CA 1.374 57.837 56.400 0.106 0.000 0.799 632 E CB -0.416 29.352 29.700 0.115 0.000 0.748 632 E HN 0.568 nan 8.360 nan 0.000 0.449 633 I N 1.210 121.878 120.570 0.164 0.000 2.315 633 I HA -0.307 2.812 4.170 -1.751 0.000 0.251 633 I C 1.624 177.813 176.117 0.120 0.000 1.125 633 I CA 1.248 62.686 61.300 0.230 0.000 1.392 633 I CB -0.398 37.774 38.000 0.286 0.000 1.065 633 I HN 0.073 nan 8.210 nan 0.000 0.424 634 N N 0.309 119.040 118.700 0.052 0.000 2.354 634 N HA -0.027 3.662 4.740 -1.751 0.000 0.179 634 N C 1.804 177.293 175.510 -0.034 0.000 1.021 634 N CA 0.618 53.669 53.050 0.001 0.000 0.887 634 N CB 0.130 38.614 38.487 -0.005 0.000 0.974 634 N HN 0.165 nan 8.380 nan 0.000 0.437 635 I N 1.139 121.665 120.570 -0.073 0.000 2.179 635 I HA -0.212 2.908 4.170 -1.751 0.000 0.242 635 I C 2.332 178.320 176.117 -0.215 0.000 1.088 635 I CA 0.979 62.179 61.300 -0.166 0.000 1.357 635 I CB -1.463 36.356 38.000 -0.301 0.000 1.051 635 I HN 0.108 nan 8.210 nan 0.000 0.409 636 A N 0.923 123.560 122.820 -0.306 0.000 1.873 636 A HA -0.190 3.080 4.320 -1.751 0.000 0.218 636 A C 2.580 180.166 177.584 0.004 0.000 1.193 636 A CA 2.327 54.192 52.037 -0.287 0.000 0.629 636 A CB -1.142 17.517 19.000 -0.568 0.000 0.826 636 A HN 0.238 nan 8.150 nan 0.000 0.447 637 V N 0.111 120.047 119.914 0.037 0.000 2.231 637 V HA -0.310 2.760 4.120 -1.751 0.000 0.248 637 V C 2.618 178.714 176.094 0.004 0.000 1.054 637 V CA 2.231 64.554 62.300 0.038 0.000 1.015 637 V CB -0.849 30.906 31.823 -0.113 0.000 0.638 637 V HN 0.591 nan 8.190 nan 0.000 0.444 638 L N -1.478 119.717 121.223 -0.048 0.000 2.042 638 L HA -0.243 3.046 4.340 -1.751 0.000 0.210 638 L C 2.476 179.382 176.870 0.060 0.000 1.076 638 L CA 2.072 56.897 54.840 -0.026 0.000 0.749 638 L CB -0.742 41.303 42.059 -0.024 0.000 0.893 638 L HN 0.436 nan 8.230 nan 0.000 0.432 639 Y N 0.783 121.037 120.300 -0.075 0.000 2.089 639 Y HA -0.289 3.211 4.550 -1.750 0.000 0.282 639 Y C 2.811 178.708 175.900 -0.005 0.000 1.139 639 Y CA 1.625 59.674 58.100 -0.086 0.000 1.123 639 Y CB -0.509 37.829 38.460 -0.203 0.000 0.980 639 Y HN 0.082 nan 8.280 nan 0.000 0.493 640 S N 0.592 116.263 115.700 -0.048 0.000 2.392 640 S HA -0.258 3.162 4.470 -1.751 0.000 0.225 640 S C 1.818 176.402 174.600 -0.027 0.000 1.041 640 S CA 1.796 59.955 58.200 -0.067 0.000 1.100 640 S CB -1.177 62.110 63.200 0.144 0.000 1.029 640 S HN 0.455 nan 8.310 nan 0.000 0.424 641 F N 2.066 121.957 119.950 -0.097 0.000 2.085 641 F HA -0.247 3.229 4.527 -1.751 0.000 0.299 641 F C 2.715 178.451 175.800 -0.107 0.000 1.096 641 F CA 1.647 59.606 58.000 -0.069 0.000 1.227 641 F CB -0.853 38.131 39.000 -0.027 0.000 0.983 641 F HN 0.313 nan 8.300 nan 0.000 0.482 642 Q N -1.052 118.779 119.800 0.052 0.000 2.167 642 Q HA -0.130 3.159 4.340 -1.751 0.000 0.202 642 Q C 2.281 178.200 176.000 -0.135 0.000 0.970 642 Q CA 1.583 57.361 55.803 -0.043 0.000 0.855 642 Q CB -0.330 28.380 28.738 -0.045 0.000 0.911 642 Q HN 0.309 nan 8.270 nan 0.000 0.438 643 S N 1.064 116.611 115.700 -0.255 0.000 2.428 643 S HA -0.073 3.346 4.470 -1.751 0.000 0.230 643 S C 0.707 175.197 174.600 -0.182 0.000 1.014 643 S CA 0.973 58.999 58.200 -0.290 0.000 0.957 643 S CB 0.063 62.955 63.200 -0.515 0.000 0.784 643 S HN 0.318 nan 8.310 nan 0.000 0.499 644 D N 0.844 121.145 120.400 -0.165 0.000 2.342 644 D HA 0.180 3.770 4.640 -1.751 0.000 0.221 644 D C -0.068 176.161 176.300 -0.119 0.000 1.101 644 D CA 0.036 53.952 54.000 -0.140 0.000 0.837 644 D CB -0.056 40.641 40.800 -0.171 0.000 0.938 644 D HN 0.212 nan 8.370 nan 0.000 0.508 645 K N -0.187 120.152 120.400 -0.102 0.000 3.077 645 K HA -0.144 3.125 4.320 -1.751 0.000 0.264 645 K C -0.698 175.859 176.600 -0.072 0.000 1.008 645 K CA 0.165 56.405 56.287 -0.078 0.000 0.740 645 K CB -1.600 30.857 32.500 -0.071 0.000 1.273 645 K HN 0.069 nan 8.250 nan 0.000 0.477 646 V N 1.222 121.096 119.914 -0.068 0.000 2.427 646 V HA 0.126 3.196 4.120 -1.751 0.000 0.286 646 V C 0.902 177.050 176.094 0.090 0.000 1.034 646 V CA -0.630 61.645 62.300 -0.043 0.000 0.893 646 V CB 1.829 33.513 31.823 -0.232 0.000 0.982 646 V HN 0.223 nan 8.190 nan 0.000 0.452 647 T N 6.274 120.855 114.554 0.045 0.000 2.934 647 T HA 0.438 3.738 4.350 -1.751 0.000 0.306 647 T C -0.223 174.559 174.700 0.137 0.000 1.042 647 T CA 0.706 62.775 62.100 -0.051 0.000 1.145 647 T CB 0.137 68.832 68.868 -0.289 0.000 0.982 647 T HN 0.601 nan 8.240 nan 0.000 0.544 648 I N 2.136 122.712 120.570 0.010 0.000 2.746 648 I HA 0.452 3.572 4.170 -1.751 0.000 0.290 648 I C -1.603 174.536 176.117 0.037 0.000 1.600 648 I CA -0.791 60.569 61.300 0.100 0.000 1.019 648 I CB 1.544 39.553 38.000 0.016 0.000 1.426 648 I HN 0.470 nan 8.210 nan 0.000 0.460 649 V N 6.761 126.762 119.914 0.144 0.000 2.680 649 V HA 0.532 3.602 4.120 -1.751 0.000 0.309 649 V C -0.825 175.322 176.094 0.088 0.000 1.052 649 V CA -0.338 62.039 62.300 0.128 0.000 0.908 649 V CB 2.050 34.028 31.823 0.258 0.000 1.001 649 V HN 0.808 nan 8.190 nan 0.000 0.431 650 D N 4.900 125.326 120.400 0.042 0.000 2.387 650 D HA 0.128 3.718 4.640 -1.751 0.000 0.251 650 D C 0.918 177.211 176.300 -0.012 0.000 1.141 650 D CA -0.226 53.778 54.000 0.006 0.000 0.987 650 D CB 0.668 41.430 40.800 -0.063 0.000 1.116 650 D HN 0.802 nan 8.370 nan 0.000 0.491 651 H N -0.449 118.562 119.070 -0.099 0.000 2.491 651 H HA -0.119 3.386 4.556 -1.751 0.000 0.290 651 H C 1.228 176.455 175.328 -0.169 0.000 1.050 651 H CA 1.087 57.034 56.048 -0.168 0.000 1.309 651 H CB -0.536 29.063 29.762 -0.272 0.000 1.392 651 H HN 0.495 nan 8.280 nan 0.000 0.554 652 H N 1.034 119.933 119.070 -0.286 0.000 2.343 652 H HA 0.037 3.543 4.556 -1.750 0.000 0.303 652 H C 2.295 177.608 175.328 -0.025 0.000 1.068 652 H CA 1.327 57.294 56.048 -0.136 0.000 1.359 652 H CB 0.218 29.859 29.762 -0.202 0.000 1.402 652 H HN 0.347 nan 8.280 nan 0.000 0.515 653 S N 1.000 116.757 115.700 0.094 0.000 2.345 653 S HA -0.082 3.338 4.470 -1.751 0.000 0.220 653 S C 2.525 177.197 174.600 0.120 0.000 1.031 653 S CA 0.840 59.098 58.200 0.095 0.000 0.996 653 S CB -0.395 62.850 63.200 0.076 0.000 0.882 653 S HN 0.501 nan 8.310 nan 0.000 0.445 654 A N 2.142 125.035 122.820 0.121 0.000 1.873 654 A HA -0.217 3.053 4.320 -1.751 0.000 0.218 654 A C 2.493 180.178 177.584 0.168 0.000 1.193 654 A CA 2.642 54.768 52.037 0.149 0.000 0.629 654 A CB -1.769 17.307 19.000 0.126 0.000 0.826 654 A HN 0.660 nan 8.150 nan 0.000 0.447 655 T N -1.877 112.761 114.554 0.140 0.000 2.746 655 T HA -0.190 3.110 4.350 -1.751 0.000 0.267 655 T C 1.787 176.620 174.700 0.222 0.000 1.039 655 T CA 1.569 63.776 62.100 0.179 0.000 1.142 655 T CB -0.462 68.480 68.868 0.124 0.000 0.866 655 T HN 0.659 nan 8.240 nan 0.000 0.444 656 E N 1.247 121.550 120.200 0.173 0.000 2.058 656 E HA -0.175 3.125 4.350 -1.751 0.000 0.194 656 E C 2.350 179.042 176.600 0.154 0.000 0.997 656 E CA 1.495 57.986 56.400 0.151 0.000 0.801 656 E CB -0.308 29.463 29.700 0.119 0.000 0.746 656 E HN 0.552 nan 8.360 nan 0.000 0.450 657 S N 0.391 116.191 115.700 0.167 0.000 2.359 657 S HA -0.201 3.218 4.470 -1.751 0.000 0.222 657 S C 1.574 176.299 174.600 0.208 0.000 1.038 657 S CA 1.390 59.693 58.200 0.171 0.000 1.051 657 S CB -0.655 62.654 63.200 0.181 0.000 0.944 657 S HN 0.423 nan 8.310 nan 0.000 0.433 658 F N 2.282 122.304 119.950 0.119 0.000 2.154 658 F HA -0.157 3.320 4.527 -1.750 0.000 0.301 658 F C 1.856 177.761 175.800 0.175 0.000 1.087 658 F CA 0.943 59.032 58.000 0.149 0.000 1.274 658 F CB -0.305 38.761 39.000 0.110 0.000 1.009 658 F HN 0.107 nan 8.300 nan 0.000 0.485 659 I N 0.438 121.049 120.570 0.069 0.000 2.179 659 I HA -0.281 2.839 4.170 -1.751 0.000 0.242 659 I C 2.268 178.348 176.117 -0.062 0.000 1.088 659 I CA 1.454 62.740 61.300 -0.023 0.000 1.357 659 I CB -1.229 36.821 38.000 0.083 0.000 1.051 659 I HN 0.198 nan 8.210 nan 0.000 0.409 660 K N -0.296 120.109 120.400 0.009 0.000 2.009 660 K HA -0.266 3.003 4.320 -1.751 0.000 0.210 660 K C 2.178 178.769 176.600 -0.015 0.000 1.049 660 K CA 1.868 58.162 56.287 0.011 0.000 0.929 660 K CB -0.573 31.957 32.500 0.051 0.000 0.714 660 K HN 0.324 nan 8.250 nan 0.000 0.440 661 H N 1.084 120.101 119.070 -0.088 0.000 2.289 661 H HA -0.153 3.353 4.556 -1.750 0.000 0.296 661 H C 2.113 177.333 175.328 -0.180 0.000 1.091 661 H CA 2.370 58.355 56.048 -0.104 0.000 1.274 661 H CB -0.198 29.509 29.762 -0.091 0.000 1.364 661 H HN 0.102 nan 8.280 nan 0.000 0.490 662 M N 0.122 119.447 119.600 -0.458 0.000 2.106 662 M HA -0.206 3.223 4.480 -1.751 0.000 0.259 662 M C 1.982 178.206 176.300 -0.126 0.000 1.068 662 M CA 2.227 57.270 55.300 -0.428 0.000 1.100 662 M CB -0.070 32.229 32.600 -0.502 0.000 1.351 662 M HN 0.505 nan 8.290 nan 0.000 0.404 663 E N -0.247 119.886 120.200 -0.112 0.000 2.077 663 E HA -0.195 3.105 4.350 -1.751 0.000 0.193 663 E C 1.802 178.393 176.600 -0.016 0.000 0.989 663 E CA 1.043 57.420 56.400 -0.038 0.000 0.800 663 E CB -0.289 29.384 29.700 -0.045 0.000 0.746 663 E HN 0.605 nan 8.360 nan 0.000 0.452 664 N N 0.702 119.353 118.700 -0.081 0.000 2.142 664 N HA -0.152 3.538 4.740 -1.751 0.000 0.186 664 N C 1.694 177.135 175.510 -0.114 0.000 1.023 664 N CA 0.828 53.833 53.050 -0.075 0.000 0.852 664 N CB 0.089 38.536 38.487 -0.066 0.000 0.998 664 N HN 0.138 nan 8.380 nan 0.000 0.424 665 E N 0.133 120.178 120.200 -0.259 0.000 2.160 665 E HA -0.178 3.121 4.350 -1.751 0.000 0.195 665 E C 1.724 178.179 176.600 -0.241 0.000 0.991 665 E CA 0.866 57.075 56.400 -0.319 0.000 0.810 665 E CB -0.331 29.059 29.700 -0.517 0.000 0.742 665 E HN 0.512 nan 8.360 nan 0.000 0.466 666 Y N 1.136 121.346 120.300 -0.150 0.000 2.184 666 Y HA -0.152 3.348 4.550 -1.751 0.000 0.290 666 Y C 2.675 178.539 175.900 -0.061 0.000 1.129 666 Y CA 1.845 59.896 58.100 -0.083 0.000 1.144 666 Y CB -0.136 38.287 38.460 -0.062 0.000 0.995 666 Y HN 0.065 nan 8.280 nan 0.000 0.513 667 R N -0.951 119.595 120.500 0.077 0.000 2.075 667 R HA -0.112 3.178 4.340 -1.751 0.000 0.232 667 R C 1.936 178.234 176.300 -0.005 0.000 1.126 667 R CA 1.880 58.002 56.100 0.037 0.000 0.963 667 R CB -1.288 29.029 30.300 0.028 0.000 0.858 667 R HN 0.294 nan 8.270 nan 0.000 0.435 668 C N 0.094 119.376 119.300 -0.030 0.000 2.522 668 C HA 0.210 3.619 4.460 -1.751 0.000 0.280 668 C C 2.710 177.662 174.990 -0.063 0.000 1.303 668 C CA 0.424 59.421 59.018 -0.035 0.000 1.709 668 C CB -0.686 27.042 27.740 -0.020 0.000 2.071 668 C HN 0.540 nan 8.230 nan 0.000 0.492 669 R N -0.290 120.141 120.500 -0.116 0.000 2.282 669 R HA 0.214 3.504 4.340 -1.751 0.000 0.195 669 R C 1.338 177.537 176.300 -0.169 0.000 0.909 669 R CA 0.858 56.871 56.100 -0.145 0.000 1.039 669 R CB 0.262 30.442 30.300 -0.200 0.000 1.015 669 R HN 0.555 nan 8.270 nan 0.000 0.513 670 G N -0.324 108.365 108.800 -0.185 0.000 2.132 670 G HA2 -0.145 2.764 3.960 -1.751 0.000 0.234 670 G HA3 -0.145 2.764 3.960 -1.751 0.000 0.234 670 G C 0.085 174.765 174.900 -0.367 0.000 0.989 670 G CA -0.026 44.962 45.100 -0.186 0.000 0.676 670 G HN 0.771 nan 8.290 nan 0.000 0.522 671 G N -2.408 105.983 108.800 -0.681 0.000 2.336 671 G HA2 0.539 3.448 3.960 -1.751 0.000 0.300 671 G HA3 0.539 3.448 3.960 -1.751 0.000 0.300 671 G C -0.910 173.563 174.900 -0.710 0.000 1.375 671 G CA 0.335 44.805 45.100 -1.049 0.000 0.885 671 G HN 1.814 nan 8.290 nan 0.000 0.599 672 C N 2.337 121.349 119.300 -0.481 0.000 3.140 672 C HA 0.603 4.013 4.460 -1.751 0.000 0.374 672 C C -2.486 172.412 174.990 -0.153 0.000 1.055 672 C CA -1.065 57.818 59.018 -0.226 0.000 1.315 672 C CB 0.700 28.341 27.740 -0.164 0.000 1.732 672 C HN 0.705 nan 8.230 nan 0.000 0.532 673 P HA 0.370 nan 4.420 nan 0.000 0.264 673 P C -0.620 176.560 177.300 -0.199 0.000 1.193 673 P CA 0.667 63.353 63.100 -0.690 0.000 0.763 673 P CB 1.019 32.108 31.700 -1.018 0.000 0.810 674 A N 2.514 125.282 122.820 -0.086 0.000 2.459 674 A HA 0.375 3.644 4.320 -1.751 0.000 0.296 674 A C -0.996 176.631 177.584 0.072 0.000 1.039 674 A CA -0.580 51.505 52.037 0.080 0.000 0.698 674 A CB 1.191 20.378 19.000 0.311 0.000 1.261 674 A HN 0.462 nan 8.150 nan 0.000 0.405 675 D N 2.160 122.589 120.400 0.047 0.000 2.396 675 D HA 0.132 3.721 4.640 -1.751 0.000 0.225 675 D C 0.766 177.190 176.300 0.208 0.000 1.121 675 D CA -0.395 53.664 54.000 0.098 0.000 0.853 675 D CB 0.453 41.251 40.800 -0.003 0.000 1.043 675 D HN 0.622 nan 8.370 nan 0.000 0.500 676 W N 3.984 125.319 121.300 0.058 0.000 2.338 676 W HA -0.228 3.381 4.660 -1.750 0.000 0.304 676 W C 1.761 178.324 176.519 0.073 0.000 1.212 676 W CA 0.952 58.328 57.345 0.050 0.000 1.264 676 W CB 0.032 29.498 29.460 0.010 0.000 1.142 676 W HN 0.306 nan 8.180 nan 0.000 0.512 677 V N -0.213 120.022 119.914 0.534 0.000 2.546 677 V HA -0.314 2.755 4.120 -1.751 0.000 0.254 677 V C 1.428 177.669 176.094 0.245 0.000 1.076 677 V CA 2.048 64.607 62.300 0.432 0.000 1.087 677 V CB -0.826 31.244 31.823 0.412 0.000 0.674 677 V HN 0.334 nan 8.190 nan 0.000 0.470 678 W N -1.734 119.558 121.300 -0.013 0.000 2.735 678 W HA 0.273 3.882 4.660 -1.752 0.000 0.264 678 W C 2.154 178.568 176.519 -0.175 0.000 1.233 678 W CA -0.191 57.109 57.345 -0.075 0.000 1.408 678 W CB -0.095 29.340 29.460 -0.042 0.000 1.038 678 W HN 0.042 nan 8.180 nan 0.000 0.603 679 I N 0.286 120.836 120.570 -0.034 0.000 2.179 679 I HA -0.126 2.994 4.170 -1.751 0.000 0.242 679 I C 0.703 176.641 176.117 -0.298 0.000 1.088 679 I CA 0.968 62.125 61.300 -0.237 0.000 1.357 679 I CB -1.666 36.134 38.000 -0.334 0.000 1.051 679 I HN -0.412 nan 8.210 nan 0.000 0.409 680 V N 3.884 123.520 119.914 -0.463 0.000 2.485 680 V HA 0.035 3.105 4.120 -1.751 0.000 0.287 680 V C -1.896 174.013 176.094 -0.308 0.000 1.022 680 V CA -0.944 61.064 62.300 -0.487 0.000 1.067 680 V CB -0.243 31.026 31.823 -0.923 0.000 0.967 680 V HN 0.152 nan 8.190 nan 0.000 0.479 681 P HA 0.117 nan 4.420 nan 0.000 0.268 681 P C -1.927 175.233 177.300 -0.234 0.000 1.208 681 P CA -1.101 61.867 63.100 -0.221 0.000 0.777 681 P CB 0.018 31.590 31.700 -0.214 0.000 0.875 682 P HA 0.036 nan 4.420 nan 0.000 0.253 682 P C -0.198 176.981 177.300 -0.202 0.000 1.281 682 P CA 0.878 63.855 63.100 -0.206 0.000 0.792 682 P CB -0.134 31.442 31.700 -0.206 0.000 1.193 683 M N -4.671 114.773 119.600 -0.259 0.000 2.465 683 M HA 0.472 3.901 4.480 -1.751 0.000 0.284 683 M C -0.328 175.819 176.300 -0.255 0.000 1.212 683 M CA -0.520 54.628 55.300 -0.253 0.000 0.910 683 M CB 1.778 34.195 32.600 -0.305 0.000 1.725 683 M HN -0.348 nan 8.290 nan 0.000 0.477 684 S N 0.841 116.452 115.700 -0.149 0.000 3.473 684 S HA -0.202 3.218 4.470 -1.751 0.000 0.339 684 S C 1.161 175.703 174.600 -0.097 0.000 1.148 684 S CA 1.138 59.293 58.200 -0.075 0.000 0.969 684 S CB -1.955 61.266 63.200 0.035 0.000 0.936 684 S HN 1.270 nan 8.310 nan 0.000 0.530 685 G N 2.374 111.093 108.800 -0.135 0.000 2.766 685 G HA2 -0.389 2.520 3.960 -1.751 0.000 0.222 685 G HA3 -0.389 2.520 3.960 -1.751 0.000 0.222 685 G C 1.421 176.172 174.900 -0.247 0.000 1.225 685 G CA 1.832 46.861 45.100 -0.119 0.000 0.784 685 G HN 1.387 nan 8.290 nan 0.000 0.631 686 S N 0.717 115.987 115.700 -0.717 0.000 2.584 686 S HA 0.003 3.423 4.470 -1.751 0.000 0.240 686 S C 1.933 176.393 174.600 -0.233 0.000 0.975 686 S CA 1.174 58.684 58.200 -1.150 0.000 0.949 686 S CB -0.472 61.924 63.200 -1.341 0.000 0.761 686 S HN 0.890 nan 8.310 nan 0.000 0.536 687 I N -0.157 120.381 120.570 -0.054 0.000 3.941 687 I HA 0.304 3.424 4.170 -1.751 0.000 0.335 687 I C 0.099 176.341 176.117 0.208 0.000 1.402 687 I CA -0.496 60.874 61.300 0.118 0.000 1.112 687 I CB -0.067 38.013 38.000 0.132 0.000 1.043 687 I HN 0.187 nan 8.210 nan 0.000 0.395 688 T N -1.633 113.027 114.554 0.176 0.000 2.888 688 T HA 0.482 3.782 4.350 -1.751 0.000 0.284 688 T C -1.598 173.268 174.700 0.277 0.000 1.017 688 T CA -1.875 60.343 62.100 0.198 0.000 1.022 688 T CB 1.822 70.752 68.868 0.103 0.000 1.013 688 T HN -0.085 nan 8.240 nan 0.000 0.465 689 P HA -0.090 nan 4.420 nan 0.000 0.218 689 P C 1.790 179.296 177.300 0.343 0.000 1.149 689 P CA 1.029 64.328 63.100 0.332 0.000 0.817 689 P CB -0.313 31.524 31.700 0.228 0.000 0.785 690 V N -3.915 116.150 119.914 0.251 0.000 2.867 690 V HA -0.193 2.877 4.120 -1.751 0.000 0.260 690 V C 2.315 178.503 176.094 0.158 0.000 1.099 690 V CA 1.201 63.623 62.300 0.204 0.000 1.122 690 V CB -2.258 29.634 31.823 0.115 0.000 0.708 690 V HN -0.110 nan 8.190 nan 0.000 0.490 691 F N 1.738 121.685 119.950 -0.004 0.000 2.146 691 F HA -0.100 3.376 4.527 -1.751 0.000 0.298 691 F C 2.462 178.349 175.800 0.146 0.000 1.096 691 F CA 2.095 60.078 58.000 -0.029 0.000 1.275 691 F CB -0.224 38.626 39.000 -0.249 0.000 1.008 691 F HN 0.272 nan 8.300 nan 0.000 0.480 692 H N -0.869 118.509 119.070 0.513 0.000 2.539 692 H HA 0.091 3.596 4.556 -1.751 0.000 0.267 692 H C 0.285 175.834 175.328 0.368 0.000 0.982 692 H CA 0.175 56.473 56.048 0.416 0.000 1.146 692 H CB -0.203 29.807 29.762 0.414 0.000 1.382 692 H HN 0.249 nan 8.280 nan 0.000 0.577 693 Q N 2.138 122.189 119.800 0.419 0.000 2.303 693 Q HA 0.135 3.425 4.340 -1.751 0.000 0.257 693 Q C -0.466 175.745 176.000 0.351 0.000 0.941 693 Q CA -0.323 55.685 55.803 0.341 0.000 0.931 693 Q CB 0.689 29.603 28.738 0.292 0.000 1.215 693 Q HN 0.258 nan 8.270 nan 0.000 0.437 694 E N 3.487 123.847 120.200 0.266 0.000 2.390 694 E HA 0.344 3.643 4.350 -1.751 0.000 0.261 694 E C -0.519 176.206 176.600 0.208 0.000 1.076 694 E CA 0.130 56.651 56.400 0.203 0.000 0.905 694 E CB 0.864 30.669 29.700 0.174 0.000 0.984 694 E HN 0.604 nan 8.360 nan 0.000 0.427 695 M N 2.031 121.753 119.600 0.205 0.000 2.470 695 M HA 0.374 3.803 4.480 -1.751 0.000 0.285 695 M C -1.206 175.196 176.300 0.170 0.000 1.213 695 M CA -0.574 54.863 55.300 0.229 0.000 0.901 695 M CB 1.826 34.611 32.600 0.307 0.000 1.718 695 M HN 0.213 nan 8.290 nan 0.000 0.469 696 L N 1.729 123.061 121.223 0.181 0.000 2.307 696 L HA 0.540 3.829 4.340 -1.751 0.000 0.284 696 L C -0.496 176.420 176.870 0.076 0.000 1.023 696 L CA -0.401 54.540 54.840 0.167 0.000 0.810 696 L CB 1.615 43.831 42.059 0.262 0.000 1.231 696 L HN 0.717 nan 8.230 nan 0.000 0.423 697 N N 2.487 121.231 118.700 0.074 0.000 2.372 697 N HA 0.585 4.275 4.740 -1.751 0.000 0.291 697 N C -1.773 173.778 175.510 0.068 0.000 1.024 697 N CA -0.448 52.572 53.050 -0.049 0.000 0.873 697 N CB 1.470 39.952 38.487 -0.008 0.000 1.206 697 N HN 0.473 nan 8.380 nan 0.000 0.486 698 Y N -0.358 119.948 120.300 0.011 0.000 2.641 698 Y HA 0.452 3.952 4.550 -1.750 0.000 0.333 698 Y C -1.364 174.525 175.900 -0.019 0.000 1.174 698 Y CA -1.351 56.751 58.100 0.002 0.000 1.057 698 Y CB 0.702 39.178 38.460 0.027 0.000 1.322 698 Y HN 0.230 nan 8.280 nan 0.000 0.457 699 R N 2.284 122.885 120.500 0.168 0.000 2.294 699 R HA 0.742 4.032 4.340 -1.751 0.000 0.319 699 R C -1.325 175.039 176.300 0.107 0.000 0.984 699 R CA -0.671 55.468 56.100 0.066 0.000 0.861 699 R CB 1.317 31.625 30.300 0.012 0.000 1.104 699 R HN 0.654 nan 8.270 nan 0.000 0.451 700 L N 1.955 123.215 121.223 0.062 0.000 2.381 700 L HA 0.535 3.825 4.340 -1.751 0.000 0.268 700 L C 0.155 177.032 176.870 0.012 0.000 0.997 700 L CA -0.984 53.891 54.840 0.057 0.000 0.818 700 L CB 2.351 44.453 42.059 0.072 0.000 1.310 700 L HN 0.693 nan 8.230 nan 0.000 0.416 701 T N -0.748 113.822 114.554 0.026 0.000 2.925 701 T HA 0.597 3.896 4.350 -1.751 0.000 0.285 701 T C -2.609 172.138 174.700 0.078 0.000 1.021 701 T CA -2.190 59.922 62.100 0.019 0.000 1.042 701 T CB 1.601 70.485 68.868 0.027 0.000 1.037 701 T HN 0.208 nan 8.240 nan 0.000 0.481 702 P HA 0.298 nan 4.420 nan 0.000 0.270 702 P C -0.506 176.711 177.300 -0.138 0.000 1.227 702 P CA -0.193 62.879 63.100 -0.047 0.000 0.788 702 P CB 0.418 32.081 31.700 -0.062 0.000 0.926 703 S N -0.268 115.297 115.700 -0.225 0.000 2.596 703 S HA 0.638 4.058 4.470 -1.751 0.000 0.270 703 S C -1.472 172.919 174.600 -0.347 0.000 1.155 703 S CA -0.845 57.204 58.200 -0.252 0.000 0.827 703 S CB 0.653 63.784 63.200 -0.115 0.000 1.130 703 S HN 0.130 nan 8.310 nan 0.000 0.467 704 F N 1.373 121.275 119.950 -0.080 0.000 2.415 704 F HA 0.624 4.099 4.527 -1.752 0.000 0.348 704 F C 0.778 176.529 175.800 -0.081 0.000 1.119 704 F CA -0.307 57.658 58.000 -0.059 0.000 1.069 704 F CB 1.443 40.386 39.000 -0.095 0.000 1.124 704 F HN 0.505 nan 8.300 nan 0.000 0.472 705 E N 2.415 122.701 120.200 0.144 0.000 2.320 705 E HA 0.316 3.615 4.350 -1.751 0.000 0.264 705 E C -0.977 175.710 176.600 0.144 0.000 0.923 705 E CA -0.811 55.599 56.400 0.018 0.000 0.796 705 E CB 2.040 31.741 29.700 0.001 0.000 1.262 705 E HN 0.539 nan 8.360 nan 0.000 0.428 706 Y N 0.595 120.902 120.300 0.012 0.000 2.295 706 Y HA 0.199 3.699 4.550 -1.751 0.000 0.331 706 Y C 1.037 176.923 175.900 -0.022 0.000 1.311 706 Y CA -0.479 57.615 58.100 -0.010 0.000 1.430 706 Y CB 1.117 39.561 38.460 -0.027 0.000 1.339 706 Y HN 0.348 nan 8.280 nan 0.000 0.552 707 Q N 0.057 119.927 119.800 0.117 0.000 2.522 707 Q HA 0.457 3.747 4.340 -1.751 0.000 0.285 707 Q C -3.200 172.746 176.000 -0.090 0.000 0.982 707 Q CA -2.290 53.518 55.803 0.009 0.000 0.805 707 Q CB 1.536 30.270 28.738 -0.005 0.000 1.457 707 Q HN 0.276 nan 8.270 nan 0.000 0.394 708 P HA 0.053 nan 4.420 nan 0.000 0.266 708 P C -0.881 176.189 177.300 -0.383 0.000 1.195 708 P CA 0.107 63.082 63.100 -0.209 0.000 0.768 708 P CB 0.365 31.966 31.700 -0.165 0.000 0.838 709 D N 3.910 123.972 120.400 -0.564 0.000 2.488 709 D HA -0.041 3.548 4.640 -1.751 0.000 0.238 709 D C -1.013 174.636 176.300 -1.084 0.000 1.138 709 D CA -0.811 52.549 54.000 -1.066 0.000 0.873 709 D CB 0.508 40.276 40.800 -1.720 0.000 1.183 709 D HN 0.277 nan 8.370 nan 0.000 0.458 710 P HA -0.157 nan 4.420 nan 0.000 0.215 710 P C 1.472 178.186 177.300 -0.978 0.000 1.153 710 P CA 1.357 63.794 63.100 -1.104 0.000 0.853 710 P CB -0.184 30.491 31.700 -1.709 0.000 0.788 711 W N 1.025 121.803 121.300 -0.871 0.000 2.421 711 W HA 0.013 3.619 4.660 -1.757 0.000 0.270 711 W C 1.199 177.726 176.519 0.013 0.000 1.233 711 W CA 0.713 57.896 57.345 -0.269 0.000 1.226 711 W CB -2.511 26.976 29.460 0.045 0.000 1.121 711 W HN -0.068 nan 8.180 nan 0.000 0.579 712 N N 0.068 118.623 118.700 -0.242 0.000 2.383 712 N HA 0.018 3.708 4.740 -1.751 0.000 0.192 712 N C 0.890 176.380 175.510 -0.034 0.000 1.141 712 N CA 1.075 54.095 53.050 -0.049 0.000 0.851 712 N CB 0.111 38.500 38.487 -0.164 0.000 0.976 712 N HN 0.377 nan 8.380 nan 0.000 0.465 713 T N -4.846 109.684 114.554 -0.040 0.000 3.147 713 T HA -0.007 3.293 4.350 -1.751 0.000 0.275 713 T C 0.030 174.772 174.700 0.071 0.000 0.879 713 T CA -0.373 61.724 62.100 -0.004 0.000 0.863 713 T CB -0.203 68.620 68.868 -0.076 0.000 1.236 713 T HN 0.059 nan 8.240 nan 0.000 0.582 714 H N 2.207 121.283 119.070 0.011 0.000 2.886 714 H HA 0.478 3.986 4.556 -1.746 0.000 0.329 714 H C -0.203 175.191 175.328 0.109 0.000 1.044 714 H CA -0.190 55.866 56.048 0.013 0.000 1.456 714 H CB 0.724 30.465 29.762 -0.035 0.000 1.464 714 H HN 0.098 nan 8.280 nan 0.000 0.573 715 V N 7.448 127.048 119.914 -0.523 0.000 2.267 715 V HA 0.017 3.086 4.120 -1.751 0.000 0.254 715 V C 0.100 175.883 176.094 -0.518 0.000 1.144 715 V CA -0.661 61.455 62.300 -0.307 0.000 0.992 715 V CB -1.553 30.163 31.823 -0.178 0.000 1.199 715 V HN 0.702 nan 8.190 nan 0.000 0.493 716 W N 0.000 121.065 121.300 -0.391 0.000 2.388 716 W HA 0.000 3.609 4.660 -1.752 0.000 0.303 716 W CA 0.000 57.252 57.345 -0.155 0.000 1.226 716 W CB 0.000 29.486 29.460 0.043 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535