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 3nlv_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 0.000 176.259 176.300 -0.069 0.000 0.893 299 R CA 0.000 56.071 56.100 -0.048 0.000 0.921 299 R CB 0.000 30.168 30.300 -0.221 0.000 0.687 300 F N 3.003 123.013 119.950 0.100 0.000 2.420 300 F HA 0.439 3.994 4.527 -1.621 0.000 0.352 300 F C 0.036 175.894 175.800 0.097 0.000 1.108 300 F CA -0.260 57.808 58.000 0.113 0.000 1.162 300 F CB 0.951 39.983 39.000 0.053 0.000 1.118 300 F HN -0.051 nan 8.300 nan 0.000 0.510 301 L N 4.565 125.950 121.223 0.269 0.000 2.346 301 L HA 0.510 3.877 4.340 -1.621 0.000 0.274 301 L C -0.385 176.562 176.870 0.129 0.000 1.007 301 L CA -1.167 53.740 54.840 0.111 0.000 0.818 301 L CB 1.703 43.713 42.059 -0.081 0.000 1.284 301 L HN 0.410 nan 8.230 nan 0.000 0.424 302 K N 2.684 123.128 120.400 0.073 0.000 2.159 302 K HA 0.585 3.933 4.320 -1.621 0.000 0.266 302 K C -0.765 175.846 176.600 0.018 0.000 0.975 302 K CA -0.567 55.742 56.287 0.036 0.000 0.865 302 K CB 2.483 34.985 32.500 0.003 0.000 1.087 302 K HN 0.416 nan 8.250 nan 0.000 0.446 303 V N -0.771 119.123 119.914 -0.034 0.000 2.555 303 V HA 0.568 3.716 4.120 -1.621 0.000 0.302 303 V C -0.287 175.741 176.094 -0.111 0.000 1.038 303 V CA -1.008 61.267 62.300 -0.042 0.000 0.887 303 V CB 1.729 33.526 31.823 -0.044 0.000 0.991 303 V HN 0.704 nan 8.190 nan 0.000 0.434 304 K N 3.433 123.777 120.400 -0.092 0.000 2.207 304 K HA 0.437 3.785 4.320 -1.621 0.000 0.255 304 K C -0.693 175.808 176.600 -0.165 0.000 0.941 304 K CA -0.676 55.464 56.287 -0.246 0.000 0.825 304 K CB 1.611 33.804 32.500 -0.512 0.000 1.119 304 K HN 0.904 nan 8.250 nan 0.000 0.430 305 N N 3.907 122.506 118.700 -0.169 0.000 2.422 305 N HA 0.092 3.859 4.740 -1.621 0.000 0.266 305 N C -0.318 175.152 175.510 -0.068 0.000 1.007 305 N CA -0.283 52.766 53.050 -0.002 0.000 0.941 305 N CB 0.522 39.029 38.487 0.033 0.000 1.115 305 N HN 0.678 nan 8.380 nan 0.000 0.492 306 W N 2.030 123.407 121.300 0.129 0.000 2.905 306 W HA 0.184 3.871 4.660 -1.622 0.000 0.251 306 W C 2.050 178.623 176.519 0.090 0.000 1.305 306 W CA -0.176 57.238 57.345 0.115 0.000 1.465 306 W CB 0.375 29.925 29.460 0.149 0.000 1.122 306 W HN 0.647 nan 8.180 nan 0.000 0.659 307 E N -0.127 120.215 120.200 0.236 0.000 2.086 307 E HA -0.136 3.241 4.350 -1.621 0.000 0.190 307 E C 1.881 178.498 176.600 0.029 0.000 0.975 307 E CA 1.784 58.213 56.400 0.048 0.000 0.813 307 E CB 0.110 29.770 29.700 -0.067 0.000 0.768 307 E HN 0.224 nan 8.360 nan 0.000 0.457 308 T N -2.960 111.609 114.554 0.025 0.000 3.023 308 T HA 0.110 3.487 4.350 -1.621 0.000 0.253 308 T C 0.362 175.034 174.700 -0.048 0.000 1.038 308 T CA 0.438 62.533 62.100 -0.009 0.000 0.962 308 T CB 0.357 69.224 68.868 -0.003 0.000 1.018 308 T HN 0.004 nan 8.240 nan 0.000 0.521 309 D N 0.050 120.395 120.400 -0.091 0.000 2.978 309 D HA -0.132 3.535 4.640 -1.621 0.000 0.205 309 D C -0.029 176.172 176.300 -0.166 0.000 1.093 309 D CA 0.687 54.586 54.000 -0.167 0.000 1.006 309 D CB -1.899 38.827 40.800 -0.124 0.000 1.116 309 D HN 0.469 nan 8.370 nan 0.000 0.419 310 V N 1.036 120.877 119.914 -0.122 0.000 2.540 310 V HA 0.090 3.237 4.120 -1.621 0.000 0.297 310 V C 0.883 176.881 176.094 -0.159 0.000 1.024 310 V CA 0.127 62.357 62.300 -0.117 0.000 1.105 310 V CB 1.296 33.068 31.823 -0.085 0.000 0.938 310 V HN -0.021 nan 8.190 nan 0.000 0.482 311 V N 7.381 127.202 119.914 -0.155 0.000 2.417 311 V HA 0.499 3.646 4.120 -1.621 0.000 0.291 311 V C -0.037 175.962 176.094 -0.158 0.000 1.024 311 V CA -0.500 61.701 62.300 -0.165 0.000 0.861 311 V CB 1.535 33.269 31.823 -0.148 0.000 0.985 311 V HN 0.614 nan 8.190 nan 0.000 0.436 312 L N 3.438 124.529 121.223 -0.220 0.000 2.333 312 L HA 0.671 4.038 4.340 -1.621 0.000 0.269 312 L C 0.051 176.846 176.870 -0.125 0.000 1.010 312 L CA -0.429 54.251 54.840 -0.267 0.000 0.818 312 L CB 2.419 44.047 42.059 -0.718 0.000 1.306 312 L HN 0.536 nan 8.230 nan 0.000 0.430 313 T N 0.176 114.769 114.554 0.066 0.000 2.771 313 T HA 0.198 3.575 4.350 -1.621 0.000 0.281 313 T C -0.749 174.205 174.700 0.423 0.000 0.982 313 T CA -0.443 61.776 62.100 0.199 0.000 0.978 313 T CB 1.282 70.236 68.868 0.143 0.000 0.930 313 T HN 0.428 nan 8.240 nan 0.000 0.447 314 D N 2.293 122.960 120.400 0.444 0.000 2.280 314 D HA 0.223 3.890 4.640 -1.621 0.000 0.236 314 D C 0.813 177.306 176.300 0.321 0.000 1.082 314 D CA -0.306 53.956 54.000 0.435 0.000 0.834 314 D CB 1.540 42.625 40.800 0.475 0.000 1.100 314 D HN 0.641 nan 8.370 nan 0.000 0.486 315 T N 0.952 115.582 114.554 0.127 0.000 2.975 315 T HA -0.025 3.352 4.350 -1.621 0.000 0.257 315 T C 1.826 176.334 174.700 -0.320 0.000 1.003 315 T CA -0.252 61.783 62.100 -0.109 0.000 0.932 315 T CB 0.122 68.956 68.868 -0.057 0.000 1.087 315 T HN 0.248 nan 8.240 nan 0.000 0.512 316 L N 3.151 124.262 121.223 -0.187 0.000 2.131 316 L HA -0.092 3.275 4.340 -1.621 0.000 0.210 316 L C 2.667 179.301 176.870 -0.394 0.000 1.092 316 L CA 2.021 56.740 54.840 -0.201 0.000 0.759 316 L CB -0.899 41.124 42.059 -0.060 0.000 0.903 316 L HN 0.584 nan 8.230 nan 0.000 0.435 317 H N -0.803 117.835 119.070 -0.721 0.000 2.460 317 H HA -0.213 3.370 4.556 -1.621 0.000 0.297 317 H C 1.944 176.970 175.328 -0.504 0.000 1.103 317 H CA 1.917 57.290 56.048 -1.124 0.000 1.292 317 H CB -0.878 28.223 29.762 -1.103 0.000 1.376 317 H HN 0.456 nan 8.280 nan 0.000 0.531 318 L N 0.591 121.250 121.223 -0.940 0.000 2.191 318 L HA -0.107 3.261 4.340 -1.621 0.000 0.212 318 L C 2.218 178.907 176.870 -0.301 0.000 1.103 318 L CA 1.269 55.773 54.840 -0.561 0.000 0.769 318 L CB -0.276 41.445 42.059 -0.564 0.000 0.908 318 L HN 0.186 nan 8.230 nan 0.000 0.438 319 K N -0.337 119.904 120.400 -0.266 0.000 2.505 319 K HA 0.036 3.384 4.320 -1.621 0.000 0.192 319 K C 0.877 177.430 176.600 -0.077 0.000 1.025 319 K CA -0.151 56.052 56.287 -0.140 0.000 1.086 319 K CB 0.137 32.573 32.500 -0.106 0.000 0.840 319 K HN 0.074 nan 8.250 nan 0.000 0.514 320 S N 0.003 115.645 115.700 -0.096 0.000 2.564 320 S HA 0.035 3.533 4.470 -1.621 0.000 0.278 320 S C 0.977 175.582 174.600 0.008 0.000 1.333 320 S CA -0.076 58.127 58.200 0.004 0.000 1.048 320 S CB 1.244 64.456 63.200 0.021 0.000 0.900 320 S HN 0.226 nan 8.310 nan 0.000 0.505 321 T N 3.956 118.532 114.554 0.037 0.000 3.174 321 T HA 0.353 3.730 4.350 -1.621 0.000 0.252 321 T C 0.464 175.182 174.700 0.029 0.000 0.984 321 T CA -0.060 62.054 62.100 0.023 0.000 1.113 321 T CB -0.363 68.518 68.868 0.022 0.000 1.088 321 T HN 0.555 nan 8.240 nan 0.000 0.442 322 L N 1.874 123.121 121.223 0.039 0.000 2.454 322 L HA 0.530 3.897 4.340 -1.621 0.000 0.256 322 L C 0.085 176.982 176.870 0.045 0.000 1.136 322 L CA -0.732 54.129 54.840 0.036 0.000 0.804 322 L CB 0.619 42.696 42.059 0.030 0.000 1.181 322 L HN 0.244 nan 8.230 nan 0.000 0.469 323 E N -0.812 119.411 120.200 0.039 0.000 2.231 323 E HA 0.136 3.513 4.350 -1.621 0.000 0.277 323 E C 0.356 176.983 176.600 0.046 0.000 0.999 323 E CA -0.134 56.290 56.400 0.041 0.000 0.827 323 E CB 1.552 31.272 29.700 0.033 0.000 1.101 323 E HN 0.687 nan 8.360 nan 0.000 0.393 324 T N -0.489 114.096 114.554 0.051 0.000 3.043 324 T HA 0.138 3.515 4.350 -1.621 0.000 0.263 324 T C 1.474 176.202 174.700 0.046 0.000 1.094 324 T CA 0.485 62.616 62.100 0.052 0.000 1.127 324 T CB 0.050 68.954 68.868 0.061 0.000 0.905 324 T HN 0.769 nan 8.240 nan 0.000 0.490 325 G N 0.383 109.208 108.800 0.042 0.000 2.241 325 G HA2 -0.266 2.722 3.960 -1.621 0.000 0.244 325 G HA3 -0.266 2.722 3.960 -1.621 0.000 0.244 325 G C 0.362 175.287 174.900 0.040 0.000 0.998 325 G CA -0.116 45.008 45.100 0.040 0.000 0.621 325 G HN 0.765 nan 8.290 nan 0.000 0.519 326 C N 1.676 121.000 119.300 0.040 0.000 2.520 326 C HA 0.812 4.299 4.460 -1.621 0.000 0.376 326 C C 1.175 176.183 174.990 0.031 0.000 1.268 326 C CA 0.580 59.620 59.018 0.036 0.000 2.414 326 C CB 0.855 28.614 27.740 0.032 0.000 2.521 326 C HN 0.972 nan 8.230 nan 0.000 0.618 327 T N -1.338 113.235 114.554 0.030 0.000 2.773 327 T HA 0.400 3.778 4.350 -1.621 0.000 0.278 327 T C 0.369 175.057 174.700 -0.020 0.000 1.011 327 T CA -0.521 61.591 62.100 0.019 0.000 1.014 327 T CB 0.955 69.857 68.868 0.057 0.000 1.293 327 T HN 0.541 nan 8.240 nan 0.000 0.554 328 E N -0.305 119.842 120.200 -0.089 0.000 2.338 328 E HA -0.055 3.322 4.350 -1.621 0.000 0.197 328 E C 1.612 178.065 176.600 -0.247 0.000 1.007 328 E CA 1.094 57.379 56.400 -0.193 0.000 0.849 328 E CB -0.196 29.326 29.700 -0.296 0.000 0.774 328 E HN 0.562 nan 8.360 nan 0.000 0.506 329 H N -1.060 118.013 119.070 0.005 0.000 2.553 329 H HA 0.349 3.932 4.556 -1.621 0.000 0.276 329 H C 0.274 175.604 175.328 0.004 0.000 0.979 329 H CA 0.325 56.375 56.048 0.004 0.000 1.268 329 H CB 0.890 30.655 29.762 0.005 0.000 1.450 329 H HN 0.114 nan 8.280 nan 0.000 0.527 330 I N 0.427 121.061 120.570 0.107 0.000 2.607 330 I HA 0.185 3.382 4.170 -1.621 0.000 0.290 330 I C -1.108 175.034 176.117 0.042 0.000 1.129 330 I CA -0.684 60.657 61.300 0.068 0.000 1.042 330 I CB 2.053 40.093 38.000 0.067 0.000 1.242 330 I HN 0.003 nan 8.210 nan 0.000 0.421 331 C N 7.729 127.047 119.300 0.030 0.000 2.295 331 C HA 0.517 4.004 4.460 -1.621 0.000 0.331 331 C C 0.842 175.851 174.990 0.033 0.000 1.280 331 C CA -0.484 58.549 59.018 0.025 0.000 1.746 331 C CB 0.365 28.111 27.740 0.011 0.000 2.328 331 C HN 0.862 nan 8.230 nan 0.000 0.521 332 M N 4.754 124.378 119.600 0.040 0.000 2.560 332 M HA 0.184 3.691 4.480 -1.621 0.000 0.297 332 M C 1.842 178.179 176.300 0.062 0.000 1.201 332 M CA 0.073 55.402 55.300 0.049 0.000 0.973 332 M CB 0.115 32.743 32.600 0.047 0.000 1.401 332 M HN 1.016 nan 8.290 nan 0.000 0.497 333 G N 1.015 109.852 108.800 0.061 0.000 2.479 333 G HA2 -0.211 2.776 3.960 -1.621 0.000 0.220 333 G HA3 -0.211 2.776 3.960 -1.621 0.000 0.220 333 G C 1.414 176.389 174.900 0.125 0.000 1.115 333 G CA 1.463 46.614 45.100 0.084 0.000 0.757 333 G HN 0.580 nan 8.290 nan 0.000 0.560 334 S N -0.352 115.414 115.700 0.111 0.000 2.540 334 S HA 0.358 3.856 4.470 -1.621 0.000 0.218 334 S C 0.643 175.324 174.600 0.135 0.000 0.977 334 S CA -0.645 57.638 58.200 0.139 0.000 0.918 334 S CB 0.141 63.404 63.200 0.104 0.000 0.806 334 S HN 0.030 nan 8.310 nan 0.000 0.496 335 I N 2.665 123.302 120.570 0.113 0.000 2.471 335 I HA 0.203 3.400 4.170 -1.621 0.000 0.286 335 I C 1.633 177.827 176.117 0.129 0.000 1.079 335 I CA -0.049 61.310 61.300 0.098 0.000 1.398 335 I CB 0.129 38.169 38.000 0.066 0.000 1.403 335 I HN 0.280 nan 8.210 nan 0.000 0.530 336 M N 5.675 125.354 119.600 0.132 0.000 2.117 336 M HA -0.060 3.448 4.480 -1.621 0.000 0.262 336 M C 0.379 176.702 176.300 0.038 0.000 1.065 336 M CA 1.819 57.215 55.300 0.160 0.000 1.114 336 M CB -0.084 32.600 32.600 0.140 0.000 1.361 336 M HN 0.402 nan 8.290 nan 0.000 0.408 337 L N 1.435 122.658 121.223 -0.001 0.000 2.457 337 L HA 0.364 3.732 4.340 -1.621 0.000 0.252 337 L C -2.049 174.832 176.870 0.020 0.000 1.132 337 L CA -1.515 53.310 54.840 -0.024 0.000 0.938 337 L CB 0.006 42.013 42.059 -0.086 0.000 1.246 337 L HN 0.046 nan 8.230 nan 0.000 0.476 351 K N 0.349 120.777 120.400 0.046 0.000 2.147 351 K HA -0.104 3.244 4.320 -1.621 0.000 0.205 351 K C 0.917 177.565 176.600 0.081 0.000 1.049 351 K CA 1.922 58.244 56.287 0.058 0.000 0.936 351 K CB -0.269 32.246 32.500 0.023 0.000 0.722 351 K HN 0.489 nan 8.250 nan 0.000 0.446 352 D N 0.986 121.423 120.400 0.063 0.000 2.183 352 D HA -0.112 3.556 4.640 -1.621 0.000 0.203 352 D C 1.881 178.231 176.300 0.084 0.000 0.969 352 D CA 1.030 55.074 54.000 0.073 0.000 0.842 352 D CB 0.056 40.884 40.800 0.046 0.000 0.957 352 D HN 0.284 nan 8.370 nan 0.000 0.484 353 Q N -0.429 119.413 119.800 0.070 0.000 2.163 353 Q HA 0.031 3.398 4.340 -1.621 0.000 0.198 353 Q C 1.848 177.895 176.000 0.078 0.000 0.954 353 Q CA 0.333 56.173 55.803 0.061 0.000 0.851 353 Q CB 0.034 28.799 28.738 0.044 0.000 0.928 353 Q HN 0.189 nan 8.270 nan 0.000 0.459 354 L N 0.125 121.411 121.223 0.105 0.000 2.109 354 L HA -0.078 3.290 4.340 -1.621 0.000 0.207 354 L C 1.949 178.917 176.870 0.163 0.000 1.086 354 L CA 1.478 56.400 54.840 0.137 0.000 0.760 354 L CB -0.499 41.657 42.059 0.161 0.000 0.910 354 L HN 0.114 nan 8.230 nan 0.000 0.437 355 F N 1.396 121.351 119.950 0.008 0.000 2.146 355 F HA -0.018 3.536 4.527 -1.622 0.000 0.298 355 F C -0.592 175.202 175.800 -0.009 0.000 1.096 355 F CA 0.850 58.834 58.000 -0.027 0.000 1.275 355 F CB -1.713 37.263 39.000 -0.040 0.000 1.008 355 F HN 0.152 nan 8.300 nan 0.000 0.480 356 P HA -0.183 nan 4.420 nan 0.000 0.215 356 P C 2.239 179.451 177.300 -0.145 0.000 1.153 356 P CA 1.768 64.746 63.100 -0.204 0.000 0.853 356 P CB -0.207 31.459 31.700 -0.057 0.000 0.788 357 L N -0.658 120.539 121.223 -0.042 0.000 2.012 357 L HA -0.201 3.167 4.340 -1.621 0.000 0.210 357 L C 2.665 179.568 176.870 0.054 0.000 1.073 357 L CA 1.872 56.725 54.840 0.022 0.000 0.748 357 L CB -1.395 40.696 42.059 0.053 0.000 0.891 357 L HN -0.060 nan 8.230 nan 0.000 0.431 358 A N -0.113 122.721 122.820 0.023 0.000 1.908 358 A HA -0.274 3.073 4.320 -1.621 0.000 0.218 358 A C 2.426 179.996 177.584 -0.024 0.000 1.181 358 A CA 2.122 54.175 52.037 0.027 0.000 0.627 358 A CB -0.519 18.341 19.000 -0.234 0.000 0.818 358 A HN 0.348 nan 8.150 nan 0.000 0.445 359 K N -0.391 119.844 120.400 -0.275 0.000 2.057 359 K HA -0.198 3.149 4.320 -1.621 0.000 0.207 359 K C 2.147 178.706 176.600 -0.068 0.000 1.049 359 K CA 1.588 57.700 56.287 -0.292 0.000 0.931 359 K CB -0.196 31.949 32.500 -0.592 0.000 0.714 359 K HN 0.638 nan 8.250 nan 0.000 0.440 360 E N -0.080 120.103 120.200 -0.027 0.000 2.051 360 E HA -0.224 3.154 4.350 -1.621 0.000 0.192 360 E C 1.948 178.623 176.600 0.126 0.000 0.991 360 E CA 1.251 57.681 56.400 0.049 0.000 0.799 360 E CB -0.244 29.483 29.700 0.045 0.000 0.748 360 E HN 0.334 nan 8.360 nan 0.000 0.449 361 F N 1.469 121.442 119.950 0.039 0.000 2.095 361 F HA -0.171 3.384 4.527 -1.620 0.000 0.298 361 F C 2.040 177.902 175.800 0.103 0.000 1.104 361 F CA 1.388 59.438 58.000 0.084 0.000 1.232 361 F CB -0.280 38.785 39.000 0.108 0.000 0.987 361 F HN -0.001 nan 8.300 nan 0.000 0.475 362 L N -0.207 121.002 121.223 -0.024 0.000 2.093 362 L HA -0.183 3.184 4.340 -1.621 0.000 0.208 362 L C 2.100 178.973 176.870 0.005 0.000 1.085 362 L CA 1.270 56.094 54.840 -0.026 0.000 0.755 362 L CB -0.828 41.325 42.059 0.156 0.000 0.904 362 L HN 0.058 nan 8.230 nan 0.000 0.435 363 D N 0.016 120.455 120.400 0.064 0.000 2.104 363 D HA -0.240 3.427 4.640 -1.621 0.000 0.194 363 D C 2.258 178.588 176.300 0.051 0.000 0.994 363 D CA 1.571 55.651 54.000 0.134 0.000 0.830 363 D CB -0.178 40.784 40.800 0.271 0.000 0.959 363 D HN 0.504 nan 8.370 nan 0.000 0.452 364 Q N -0.653 119.121 119.800 -0.044 0.000 2.079 364 Q HA -0.217 3.150 4.340 -1.621 0.000 0.200 364 Q C 2.195 178.005 176.000 -0.316 0.000 0.974 364 Q CA 1.003 56.745 55.803 -0.102 0.000 0.840 364 Q CB -0.756 27.969 28.738 -0.022 0.000 0.898 364 Q HN 0.386 nan 8.270 nan 0.000 0.430 365 Y N 0.795 120.655 120.300 -0.733 0.000 2.097 365 Y HA -0.294 3.284 4.550 -1.620 0.000 0.282 365 Y C 1.626 177.071 175.900 -0.759 0.000 1.152 365 Y CA 1.775 59.188 58.100 -1.146 0.000 1.136 365 Y CB -0.515 37.177 38.460 -1.280 0.000 0.975 365 Y HN 0.114 nan 8.280 nan 0.000 0.498 366 Y N -0.992 118.908 120.300 -0.667 0.000 2.373 366 Y HA -0.149 3.429 4.550 -1.621 0.000 0.293 366 Y C 2.999 178.653 175.900 -0.409 0.000 1.129 366 Y CA 1.562 59.270 58.100 -0.654 0.000 1.226 366 Y CB -0.650 37.318 38.460 -0.820 0.000 1.000 366 Y HN 0.143 nan 8.280 nan 0.000 0.549 367 S N -0.594 115.033 115.700 -0.120 0.000 2.368 367 S HA -0.209 3.289 4.470 -1.621 0.000 0.225 367 S C 2.388 176.892 174.600 -0.161 0.000 1.030 367 S CA 1.470 59.636 58.200 -0.056 0.000 0.999 367 S CB -0.590 62.573 63.200 -0.062 0.000 0.844 367 S HN 0.642 nan 8.310 nan 0.000 0.459 368 S N 2.040 117.584 115.700 -0.261 0.000 2.383 368 S HA -0.109 3.388 4.470 -1.621 0.000 0.229 368 S C 1.663 176.127 174.600 -0.227 0.000 1.030 368 S CA 1.312 59.400 58.200 -0.186 0.000 1.002 368 S CB -0.924 62.211 63.200 -0.107 0.000 0.829 368 S HN 0.767 nan 8.310 nan 0.000 0.467 369 I N -2.100 118.217 120.570 -0.421 0.000 3.810 369 I HA 0.397 3.594 4.170 -1.621 0.000 0.322 369 I C 0.077 176.074 176.117 -0.199 0.000 1.288 369 I CA -0.492 60.603 61.300 -0.343 0.000 1.143 369 I CB -0.600 37.074 38.000 -0.543 0.000 1.012 369 I HN 0.053 nan 8.210 nan 0.000 0.423 370 K N 1.326 121.641 120.400 -0.141 0.000 3.071 370 K HA -0.197 3.150 4.320 -1.621 0.000 0.265 370 K C 0.366 176.960 176.600 -0.011 0.000 1.060 370 K CA 0.707 56.961 56.287 -0.055 0.000 0.767 370 K CB -1.618 30.858 32.500 -0.041 0.000 1.241 370 K HN 0.552 nan 8.250 nan 0.000 0.486 371 R N 0.278 120.778 120.500 -0.000 0.000 2.690 371 R HA 0.190 3.558 4.340 -1.621 0.000 0.419 371 R C -0.388 175.990 176.300 0.131 0.000 1.090 371 R CA -0.488 55.660 56.100 0.080 0.000 1.064 371 R CB 0.313 30.680 30.300 0.110 0.000 1.391 371 R HN 0.168 nan 8.270 nan 0.000 0.586 372 F N 0.781 120.721 119.950 -0.017 0.000 2.578 372 F HA 0.191 3.745 4.527 -1.622 0.000 0.376 372 F C 1.432 177.313 175.800 0.135 0.000 1.085 372 F CA 1.497 59.510 58.000 0.022 0.000 1.260 372 F CB 0.782 39.772 39.000 -0.017 0.000 1.095 372 F HN 0.435 nan 8.300 nan 0.000 0.573 373 G N 3.726 112.395 108.800 -0.218 0.000 2.225 373 G HA2 -0.271 2.716 3.960 -1.621 0.000 0.267 373 G HA3 -0.271 2.716 3.960 -1.621 0.000 0.267 373 G C 0.124 174.973 174.900 -0.084 0.000 1.024 373 G CA 0.398 45.362 45.100 -0.225 0.000 0.784 373 G HN 1.122 nan 8.290 nan 0.000 0.507 374 S N -1.507 114.175 115.700 -0.029 0.000 2.707 374 S HA 0.629 4.126 4.470 -1.621 0.000 0.276 374 S C 1.375 175.930 174.600 -0.075 0.000 1.179 374 S CA 0.204 58.391 58.200 -0.021 0.000 0.992 374 S CB 1.975 65.196 63.200 0.035 0.000 1.030 374 S HN 0.292 nan 8.310 nan 0.000 0.554 375 K N 0.442 120.811 120.400 -0.052 0.000 2.009 375 K HA -0.123 3.224 4.320 -1.621 0.000 0.210 375 K C 2.423 178.976 176.600 -0.080 0.000 1.049 375 K CA 1.371 57.618 56.287 -0.068 0.000 0.929 375 K CB -1.005 31.473 32.500 -0.037 0.000 0.714 375 K HN 0.772 nan 8.250 nan 0.000 0.440 376 A N 0.881 123.687 122.820 -0.023 0.000 1.940 376 A HA -0.298 3.049 4.320 -1.621 0.000 0.221 376 A C 2.006 179.468 177.584 -0.205 0.000 1.190 376 A CA 2.145 54.191 52.037 0.016 0.000 0.647 376 A CB -1.095 18.012 19.000 0.178 0.000 0.821 376 A HN 0.623 nan 8.150 nan 0.000 0.457 377 H N -1.394 117.334 119.070 -0.570 0.000 2.270 377 H HA -0.103 3.480 4.556 -1.621 0.000 0.299 377 H C 2.105 177.075 175.328 -0.597 0.000 1.077 377 H CA 1.511 56.919 56.048 -1.068 0.000 1.294 377 H CB -0.097 29.180 29.762 -0.808 0.000 1.371 377 H HN 0.379 nan 8.280 nan 0.000 0.491 378 M N 0.829 120.176 119.600 -0.422 0.000 2.213 378 M HA -0.131 3.376 4.480 -1.621 0.000 0.263 378 M C 1.477 177.648 176.300 -0.215 0.000 1.062 378 M CA 0.962 56.039 55.300 -0.372 0.000 1.105 378 M CB -0.634 31.790 32.600 -0.294 0.000 1.385 378 M HN 0.335 nan 8.290 nan 0.000 0.417 379 D N 0.271 120.574 120.400 -0.161 0.000 2.097 379 D HA -0.154 3.513 4.640 -1.621 0.000 0.195 379 D C 2.069 178.330 176.300 -0.065 0.000 0.989 379 D CA 1.259 55.206 54.000 -0.089 0.000 0.827 379 D CB -0.302 40.468 40.800 -0.050 0.000 0.966 379 D HN 0.272 nan 8.370 nan 0.000 0.456 380 R N 0.266 120.723 120.500 -0.072 0.000 2.096 380 R HA -0.084 3.284 4.340 -1.621 0.000 0.235 380 R C 2.123 178.418 176.300 -0.009 0.000 1.127 380 R CA 0.787 56.888 56.100 0.001 0.000 0.968 380 R CB -0.647 29.698 30.300 0.075 0.000 0.861 380 R HN 0.084 nan 8.270 nan 0.000 0.440 381 L N 0.772 121.956 121.223 -0.064 0.000 2.017 381 L HA -0.094 3.273 4.340 -1.621 0.000 0.208 381 L C 2.174 179.059 176.870 0.025 0.000 1.073 381 L CA 2.033 56.865 54.840 -0.013 0.000 0.745 381 L CB -0.596 41.401 42.059 -0.102 0.000 0.894 381 L HN 0.256 nan 8.230 nan 0.000 0.432 382 E N -0.382 119.795 120.200 -0.038 0.000 2.106 382 E HA -0.260 3.118 4.350 -1.621 0.000 0.192 382 E C 2.128 178.697 176.600 -0.051 0.000 0.984 382 E CA 1.445 57.812 56.400 -0.054 0.000 0.806 382 E CB -0.142 29.518 29.700 -0.066 0.000 0.750 382 E HN 0.563 nan 8.360 nan 0.000 0.458 383 E N -0.462 119.722 120.200 -0.027 0.000 2.058 383 E HA -0.175 3.202 4.350 -1.621 0.000 0.194 383 E C 1.961 178.557 176.600 -0.008 0.000 0.997 383 E CA 1.663 58.057 56.400 -0.010 0.000 0.801 383 E CB 0.020 29.730 29.700 0.015 0.000 0.746 383 E HN 0.193 nan 8.360 nan 0.000 0.450 384 V N 2.206 122.115 119.914 -0.008 0.000 2.307 384 V HA -0.251 2.897 4.120 -1.621 0.000 0.245 384 V C 2.529 178.577 176.094 -0.078 0.000 1.045 384 V CA 1.829 64.097 62.300 -0.053 0.000 1.024 384 V CB -0.869 30.845 31.823 -0.182 0.000 0.651 384 V HN 0.424 nan 8.190 nan 0.000 0.449 385 N N 0.786 119.432 118.700 -0.090 0.000 2.060 385 N HA -0.250 3.517 4.740 -1.621 0.000 0.195 385 N C 1.872 177.234 175.510 -0.245 0.000 1.028 385 N CA 1.957 54.802 53.050 -0.341 0.000 0.861 385 N CB -0.124 38.088 38.487 -0.458 0.000 1.029 385 N HN 0.510 nan 8.380 nan 0.000 0.428 386 K N 0.460 120.775 120.400 -0.141 0.000 2.057 386 K HA -0.137 3.211 4.320 -1.621 0.000 0.207 386 K C 2.006 178.571 176.600 -0.058 0.000 1.049 386 K CA 1.077 57.307 56.287 -0.095 0.000 0.931 386 K CB -0.131 32.332 32.500 -0.062 0.000 0.714 386 K HN 0.376 nan 8.250 nan 0.000 0.440 387 E N 1.091 121.275 120.200 -0.027 0.000 2.072 387 E HA -0.144 3.234 4.350 -1.621 0.000 0.190 387 E C 1.984 178.602 176.600 0.031 0.000 0.982 387 E CA 0.755 57.167 56.400 0.021 0.000 0.803 387 E CB 0.053 29.796 29.700 0.073 0.000 0.755 387 E HN 0.204 nan 8.360 nan 0.000 0.453 388 I N 1.191 121.770 120.570 0.015 0.000 2.142 388 I HA -0.228 2.970 4.170 -1.621 0.000 0.240 388 I C 2.524 178.629 176.117 -0.020 0.000 1.078 388 I CA 0.965 62.281 61.300 0.027 0.000 1.343 388 I CB -0.234 37.780 38.000 0.022 0.000 1.046 388 I HN 0.103 nan 8.210 nan 0.000 0.405 389 E N 0.263 120.415 120.200 -0.080 0.000 2.209 389 E HA -0.223 3.155 4.350 -1.621 0.000 0.196 389 E C 2.251 178.823 176.600 -0.045 0.000 0.993 389 E CA 1.617 57.968 56.400 -0.082 0.000 0.819 389 E CB -0.068 29.556 29.700 -0.127 0.000 0.745 389 E HN 0.438 nan 8.360 nan 0.000 0.477 390 S N -0.771 114.911 115.700 -0.030 0.000 2.452 390 S HA -0.045 3.452 4.470 -1.621 0.000 0.225 390 S C 1.950 176.549 174.600 -0.002 0.000 1.057 390 S CA 1.322 59.513 58.200 -0.016 0.000 0.949 390 S CB 0.020 63.212 63.200 -0.014 0.000 0.836 390 S HN 0.283 nan 8.310 nan 0.000 0.518 391 T N -1.161 113.399 114.554 0.010 0.000 3.054 391 T HA 0.273 3.651 4.350 -1.621 0.000 0.255 391 T C 1.205 175.919 174.700 0.023 0.000 1.035 391 T CA 1.178 63.289 62.100 0.018 0.000 0.941 391 T CB -0.094 68.791 68.868 0.028 0.000 1.026 391 T HN 1.265 nan 8.240 nan 0.000 0.533 392 S N -0.947 114.770 115.700 0.028 0.000 2.608 392 S HA -0.237 3.261 4.470 -1.621 0.000 0.256 392 S C 0.386 175.023 174.600 0.063 0.000 1.270 392 S CA 1.621 59.843 58.200 0.036 0.000 1.465 392 S CB -2.626 60.587 63.200 0.020 0.000 1.833 392 S HN 1.043 nan 8.310 nan 0.000 0.641 393 T N 0.163 114.763 114.554 0.077 0.000 2.645 393 T HA 0.772 4.150 4.350 -1.621 0.000 0.273 393 T C -1.114 173.722 174.700 0.227 0.000 0.960 393 T CA -0.032 62.134 62.100 0.110 0.000 1.051 393 T CB 1.506 70.375 68.868 0.002 0.000 1.366 393 T HN 1.322 nan 8.240 nan 0.000 0.536 394 Y N -0.866 119.438 120.300 0.007 0.000 2.670 394 Y HA 0.774 4.353 4.550 -1.619 0.000 0.334 394 Y C -1.465 174.448 175.900 0.022 0.000 1.185 394 Y CA -1.293 56.822 58.100 0.024 0.000 1.053 394 Y CB 1.028 39.520 38.460 0.053 0.000 1.298 394 Y HN 0.344 nan 8.280 nan 0.000 0.459 395 Q N 2.277 122.104 119.800 0.045 0.000 2.312 395 Q HA 0.468 3.836 4.340 -1.621 0.000 0.263 395 Q C -0.964 175.066 176.000 0.050 0.000 0.995 395 Q CA -0.788 54.992 55.803 -0.038 0.000 0.853 395 Q CB 2.845 31.600 28.738 0.027 0.000 1.300 395 Q HN 0.792 nan 8.270 nan 0.000 0.448 396 L N 2.374 123.588 121.223 -0.016 0.000 2.397 396 L HA 0.196 3.564 4.340 -1.621 0.000 0.271 396 L C 0.804 177.708 176.870 0.056 0.000 1.148 396 L CA -0.421 54.461 54.840 0.071 0.000 0.825 396 L CB 0.350 42.429 42.059 0.033 0.000 1.117 396 L HN 0.220 nan 8.230 nan 0.000 0.456 397 K N 1.662 122.096 120.400 0.057 0.000 2.230 397 K HA 0.023 3.370 4.320 -1.621 0.000 0.253 397 K C 0.469 177.058 176.600 -0.018 0.000 1.008 397 K CA -0.323 55.973 56.287 0.015 0.000 0.910 397 K CB 0.559 33.059 32.500 -0.001 0.000 0.994 397 K HN 0.451 nan 8.250 nan 0.000 0.495 398 D N 0.765 121.155 120.400 -0.018 0.000 2.104 398 D HA -0.158 3.509 4.640 -1.621 0.000 0.194 398 D C 1.754 178.037 176.300 -0.028 0.000 0.994 398 D CA 2.197 56.180 54.000 -0.028 0.000 0.830 398 D CB -0.342 40.447 40.800 -0.018 0.000 0.959 398 D HN 0.749 nan 8.370 nan 0.000 0.452 399 T N -0.741 113.794 114.554 -0.031 0.000 2.720 399 T HA -0.184 3.193 4.350 -1.621 0.000 0.268 399 T C 1.789 176.445 174.700 -0.075 0.000 1.037 399 T CA 1.364 63.453 62.100 -0.018 0.000 1.144 399 T CB -0.483 68.386 68.868 0.002 0.000 0.864 399 T HN 0.248 nan 8.240 nan 0.000 0.444 400 E N 0.949 121.012 120.200 -0.229 0.000 2.072 400 E HA 0.003 3.380 4.350 -1.621 0.000 0.191 400 E C 2.160 178.848 176.600 0.147 0.000 0.985 400 E CA 0.964 57.263 56.400 -0.169 0.000 0.801 400 E CB -0.333 29.322 29.700 -0.074 0.000 0.750 400 E HN 0.346 nan 8.360 nan 0.000 0.452 401 L N 1.210 122.446 121.223 0.022 0.000 1.989 401 L HA -0.192 3.176 4.340 -1.621 0.000 0.211 401 L C 2.146 179.003 176.870 -0.021 0.000 1.071 401 L CA 1.592 56.395 54.840 -0.060 0.000 0.749 401 L CB -0.239 41.739 42.059 -0.135 0.000 0.890 401 L HN 0.098 nan 8.230 nan 0.000 0.431 402 I N -1.635 118.946 120.570 0.019 0.000 2.127 402 I HA -0.375 2.822 4.170 -1.621 0.000 0.241 402 I C 2.403 178.626 176.117 0.175 0.000 1.075 402 I CA 1.980 63.313 61.300 0.054 0.000 1.334 402 I CB -0.564 37.463 38.000 0.045 0.000 1.040 402 I HN 0.367 nan 8.210 nan 0.000 0.405 403 Y N 1.614 122.003 120.300 0.148 0.000 2.128 403 Y HA -0.234 3.343 4.550 -1.622 0.000 0.284 403 Y C 2.418 178.514 175.900 0.325 0.000 1.154 403 Y CA 1.808 60.074 58.100 0.277 0.000 1.149 403 Y CB -0.753 37.867 38.460 0.267 0.000 0.976 403 Y HN 0.101 nan 8.280 nan 0.000 0.505 404 G N -0.308 108.741 108.800 0.415 0.000 2.418 404 G HA2 -0.264 2.723 3.960 -1.621 0.000 0.217 404 G HA3 -0.264 2.723 3.960 -1.621 0.000 0.217 404 G C 1.795 176.694 174.900 -0.001 0.000 1.158 404 G CA 0.978 46.214 45.100 0.227 0.000 0.771 404 G HN 0.614 nan 8.290 nan 0.000 0.545 405 A N 0.796 123.599 122.820 -0.029 0.000 1.877 405 A HA 0.005 3.353 4.320 -1.621 0.000 0.216 405 A C 2.303 179.926 177.584 0.064 0.000 1.186 405 A CA 1.976 53.977 52.037 -0.060 0.000 0.620 405 A CB -0.372 18.598 19.000 -0.050 0.000 0.822 405 A HN 0.366 nan 8.150 nan 0.000 0.443 406 K N -1.401 119.090 120.400 0.151 0.000 2.057 406 K HA -0.172 3.175 4.320 -1.621 0.000 0.207 406 K C 1.964 178.660 176.600 0.160 0.000 1.049 406 K CA 1.781 58.235 56.287 0.277 0.000 0.931 406 K CB -0.298 32.389 32.500 0.311 0.000 0.714 406 K HN 0.651 nan 8.250 nan 0.000 0.440 407 H N -0.176 118.834 119.070 -0.100 0.000 2.428 407 H HA 0.034 3.617 4.556 -1.622 0.000 0.296 407 H C 1.890 177.091 175.328 -0.211 0.000 1.062 407 H CA 1.208 57.091 56.048 -0.274 0.000 1.350 407 H CB -0.096 29.411 29.762 -0.426 0.000 1.403 407 H HN 0.248 nan 8.280 nan 0.000 0.533 408 A N 0.518 123.250 122.820 -0.147 0.000 1.908 408 A HA -0.218 3.129 4.320 -1.621 0.000 0.218 408 A C 2.059 179.572 177.584 -0.118 0.000 1.181 408 A CA 1.547 53.361 52.037 -0.371 0.000 0.627 408 A CB -1.013 17.390 19.000 -0.995 0.000 0.818 408 A HN 0.602 nan 8.150 nan 0.000 0.445 409 W N 0.847 122.086 121.300 -0.102 0.000 2.354 409 W HA -0.145 3.544 4.660 -1.618 0.000 0.315 409 W C 2.380 178.860 176.519 -0.065 0.000 1.206 409 W CA 1.602 58.978 57.345 0.052 0.000 1.290 409 W CB -0.809 28.696 29.460 0.075 0.000 1.152 409 W HN 0.367 nan 8.180 nan 0.000 0.489 410 R N 0.183 120.609 120.500 -0.123 0.000 2.117 410 R HA -0.210 3.157 4.340 -1.621 0.000 0.243 410 R C 1.496 177.619 176.300 -0.294 0.000 1.143 410 R CA 1.905 57.688 56.100 -0.529 0.000 0.968 410 R CB -0.522 29.051 30.300 -1.211 0.000 0.863 410 R HN 0.122 nan 8.270 nan 0.000 0.444 411 N N -0.023 118.572 118.700 -0.174 0.000 2.398 411 N HA 0.039 3.806 4.740 -1.621 0.000 0.188 411 N C -0.493 174.983 175.510 -0.056 0.000 1.122 411 N CA 0.535 53.514 53.050 -0.118 0.000 0.866 411 N CB 0.666 39.094 38.487 -0.098 0.000 0.970 411 N HN 0.148 nan 8.380 nan 0.000 0.462 412 A N 1.092 123.931 122.820 0.031 0.000 2.545 412 A HA 0.158 3.505 4.320 -1.621 0.000 0.297 412 A C 1.424 179.022 177.584 0.024 0.000 1.340 412 A CA -0.175 51.900 52.037 0.063 0.000 1.016 412 A CB -0.233 18.883 19.000 0.193 0.000 1.122 412 A HN 0.274 nan 8.150 nan 0.000 0.537 413 S N 2.614 118.285 115.700 -0.048 0.000 2.474 413 S HA -0.124 3.373 4.470 -1.621 0.000 0.235 413 S C 1.450 176.029 174.600 -0.034 0.000 0.997 413 S CA 0.948 59.118 58.200 -0.050 0.000 0.949 413 S CB -0.171 62.962 63.200 -0.112 0.000 0.766 413 S HN 0.748 nan 8.310 nan 0.000 0.517 414 R N -0.381 120.072 120.500 -0.078 0.000 2.317 414 R HA 0.272 3.639 4.340 -1.621 0.000 0.208 414 R C 0.030 176.360 176.300 0.050 0.000 0.914 414 R CA -0.026 56.036 56.100 -0.062 0.000 1.060 414 R CB -0.058 30.030 30.300 -0.353 0.000 1.015 414 R HN 0.419 nan 8.270 nan 0.000 0.498 415 C N 0.529 119.857 119.300 0.047 0.000 2.265 415 C HA 0.218 3.705 4.460 -1.621 0.000 0.332 415 C C 1.937 176.928 174.990 0.003 0.000 1.248 415 C CA -0.700 58.373 59.018 0.090 0.000 1.727 415 C CB 0.492 28.366 27.740 0.223 0.000 2.348 415 C HN 0.277 nan 8.230 nan 0.000 0.519 416 V N 5.913 125.771 119.914 -0.092 0.000 3.041 416 V HA 0.140 3.287 4.120 -1.621 0.000 0.260 416 V C 1.872 178.021 176.094 0.093 0.000 1.105 416 V CA 2.381 64.540 62.300 -0.234 0.000 1.125 416 V CB -0.188 31.512 31.823 -0.205 0.000 0.730 416 V HN 1.068 nan 8.190 nan 0.000 0.479 417 G N -0.786 108.093 108.800 0.132 0.000 3.314 417 G HA2 0.037 3.024 3.960 -1.621 0.000 0.238 417 G HA3 0.037 3.024 3.960 -1.621 0.000 0.238 417 G C 1.247 176.196 174.900 0.081 0.000 1.184 417 G CA -0.331 44.850 45.100 0.136 0.000 0.806 417 G HN 0.445 nan 8.290 nan 0.000 0.536 418 R N -0.199 120.294 120.500 -0.011 0.000 2.316 418 R HA 0.161 3.528 4.340 -1.621 0.000 0.202 418 R C 2.014 177.796 176.300 -0.864 0.000 1.029 418 R CA -0.015 55.795 56.100 -0.484 0.000 1.018 418 R CB -0.153 29.962 30.300 -0.308 0.000 0.888 418 R HN 0.445 nan 8.270 nan 0.000 0.471 419 I N 1.095 121.283 120.570 -0.637 0.000 2.530 419 I HA -0.283 2.914 4.170 -1.621 0.000 0.257 419 I C 1.277 177.215 176.117 -0.298 0.000 1.179 419 I CA 1.392 62.440 61.300 -0.419 0.000 1.440 419 I CB 0.175 38.141 38.000 -0.057 0.000 1.087 419 I HN 0.201 nan 8.210 nan 0.000 0.440 420 Q N 0.438 120.009 119.800 -0.382 0.000 2.360 420 Q HA -0.088 3.280 4.340 -1.621 0.000 0.202 420 Q C 1.577 177.080 176.000 -0.829 0.000 0.915 420 Q CA 0.364 55.939 55.803 -0.381 0.000 0.943 420 Q CB -0.178 28.512 28.738 -0.079 0.000 1.064 420 Q HN 0.795 nan 8.270 nan 0.000 0.511 421 W N 1.103 121.695 121.300 -1.180 0.000 2.325 421 W HA -0.201 3.485 4.660 -1.622 0.000 0.299 421 W C 1.325 177.486 176.519 -0.596 0.000 1.215 421 W CA 1.559 58.030 57.345 -1.457 0.000 1.244 421 W CB -1.237 27.570 29.460 -1.088 0.000 1.140 421 W HN 0.167 nan 8.180 nan 0.000 0.523 422 S N 0.681 115.456 115.700 -1.542 0.000 2.561 422 S HA 0.043 3.540 4.470 -1.621 0.000 0.225 422 S C 0.694 174.990 174.600 -0.507 0.000 0.977 422 S CA 0.168 57.603 58.200 -1.274 0.000 0.926 422 S CB -0.446 61.759 63.200 -1.658 0.000 0.769 422 S HN 0.254 nan 8.310 nan 0.000 0.533 423 K N 1.379 121.587 120.400 -0.320 0.000 2.356 423 K HA 0.507 3.854 4.320 -1.621 0.000 0.243 423 K C -1.406 175.264 176.600 0.117 0.000 1.072 423 K CA -0.373 55.868 56.287 -0.077 0.000 1.014 423 K CB 0.862 33.345 32.500 -0.029 0.000 1.523 423 K HN 0.233 nan 8.250 nan 0.000 0.455 424 L N 1.849 123.128 121.223 0.093 0.000 2.470 424 L HA 0.256 3.624 4.340 -1.621 0.000 0.268 424 L C -1.322 175.537 176.870 -0.019 0.000 0.964 424 L CA -0.520 54.409 54.840 0.149 0.000 0.839 424 L CB 2.013 44.247 42.059 0.291 0.000 1.276 424 L HN 0.333 nan 8.230 nan 0.000 0.403 425 Q N 3.383 123.121 119.800 -0.104 0.000 2.294 425 Q HA 0.579 3.946 4.340 -1.621 0.000 0.257 425 Q C -1.637 174.042 176.000 -0.534 0.000 0.955 425 Q CA -0.205 55.377 55.803 -0.368 0.000 0.936 425 Q CB 1.395 29.828 28.738 -0.508 0.000 1.188 425 Q HN 0.542 nan 8.270 nan 0.000 0.420 426 V N 6.007 125.615 119.914 -0.510 0.000 2.370 426 V HA 0.411 3.558 4.120 -1.621 0.000 0.279 426 V C -0.735 175.027 176.094 -0.553 0.000 1.029 426 V CA -0.543 61.513 62.300 -0.407 0.000 0.870 426 V CB 0.469 32.164 31.823 -0.214 0.000 0.984 426 V HN 0.663 nan 8.190 nan 0.000 0.451 427 F N 2.732 122.558 119.950 -0.208 0.000 2.361 427 F HA 0.363 3.922 4.527 -1.614 0.000 0.364 427 F C 0.494 176.136 175.800 -0.263 0.000 1.120 427 F CA -1.031 56.846 58.000 -0.206 0.000 1.102 427 F CB 0.976 39.869 39.000 -0.178 0.000 1.183 427 F HN 0.435 nan 8.300 nan 0.000 0.476 428 D N 3.268 123.634 120.400 -0.057 0.000 2.352 428 D HA 0.346 4.013 4.640 -1.621 0.000 0.245 428 D C 0.164 176.297 176.300 -0.278 0.000 1.224 428 D CA 0.112 54.008 54.000 -0.174 0.000 0.879 428 D CB 1.128 41.865 40.800 -0.104 0.000 1.057 428 D HN 0.609 nan 8.370 nan 0.000 0.491 429 A N 4.646 127.120 122.820 -0.578 0.000 2.630 429 A HA 0.166 3.513 4.320 -1.621 0.000 0.290 429 A C 1.571 178.828 177.584 -0.545 0.000 1.267 429 A CA -0.408 51.019 52.037 -1.017 0.000 0.950 429 A CB 0.013 17.848 19.000 -1.942 0.000 1.144 429 A HN 0.557 nan 8.150 nan 0.000 0.527 430 R N 0.542 120.865 120.500 -0.295 0.000 2.280 430 R HA -0.073 3.294 4.340 -1.621 0.000 0.207 430 R C 0.710 176.950 176.300 -0.101 0.000 1.043 430 R CA 1.184 57.181 56.100 -0.172 0.000 1.006 430 R CB 0.060 30.309 30.300 -0.084 0.000 0.885 430 R HN 0.661 nan 8.270 nan 0.000 0.467 431 D N -0.648 119.724 120.400 -0.046 0.000 2.339 431 D HA -0.057 3.610 4.640 -1.621 0.000 0.217 431 D C 0.338 176.708 176.300 0.116 0.000 1.050 431 D CA -0.253 53.776 54.000 0.048 0.000 0.856 431 D CB -0.506 40.346 40.800 0.087 0.000 0.922 431 D HN -0.018 nan 8.370 nan 0.000 0.518 432 C N 1.453 120.815 119.300 0.104 0.000 2.662 432 C HA 0.384 3.871 4.460 -1.621 0.000 0.420 432 C C 1.883 177.042 174.990 0.282 0.000 1.314 432 C CA 0.872 60.043 59.018 0.255 0.000 1.963 432 C CB -0.053 27.883 27.740 0.327 0.000 2.686 432 C HN 0.573 nan 8.230 nan 0.000 0.609 433 T N 0.224 114.987 114.554 0.349 0.000 2.969 433 T HA 0.262 3.639 4.350 -1.621 0.000 0.258 433 T C 0.329 175.222 174.700 0.321 0.000 0.962 433 T CA 0.591 62.918 62.100 0.378 0.000 0.903 433 T CB -0.096 68.915 68.868 0.239 0.000 1.177 433 T HN 0.884 nan 8.240 nan 0.000 0.511 434 T N -1.890 112.839 114.554 0.292 0.000 2.838 434 T HA 0.812 4.190 4.350 -1.621 0.000 0.292 434 T C 1.329 176.147 174.700 0.197 0.000 1.113 434 T CA -0.203 62.022 62.100 0.208 0.000 1.008 434 T CB 1.438 70.431 68.868 0.208 0.000 1.259 434 T HN 0.067 nan 8.240 nan 0.000 0.520 435 A N -0.131 122.791 122.820 0.171 0.000 1.929 435 A HA 0.048 3.396 4.320 -1.621 0.000 0.216 435 A C 1.977 179.567 177.584 0.010 0.000 1.176 435 A CA 1.542 53.656 52.037 0.128 0.000 0.628 435 A CB -1.436 17.697 19.000 0.222 0.000 0.816 435 A HN 0.998 nan 8.150 nan 0.000 0.444 436 H N -0.411 118.754 119.070 0.159 0.000 2.352 436 H HA -0.052 5.120 4.556 1.026 0.000 0.299 436 H C 2.378 177.729 175.328 0.039 0.000 1.097 436 H CA 1.716 57.801 56.048 0.061 0.000 1.311 436 H CB -0.343 29.548 29.762 0.215 0.000 1.377 436 H HN 0.480 nan 8.280 nan 0.000 0.504 437 G N 0.260 109.198 108.800 0.230 0.000 2.491 437 G HA2 -0.316 2.671 3.960 -1.621 0.000 0.218 437 G HA3 -0.316 2.671 3.960 -1.621 0.000 0.218 437 G C 1.642 176.720 174.900 0.298 0.000 1.180 437 G CA 1.289 46.534 45.100 0.241 0.000 0.774 437 G HN 0.299 nan 8.290 nan 0.000 0.562 438 M N -0.514 119.217 119.600 0.218 0.000 2.108 438 M HA -0.008 3.499 4.480 -1.621 0.000 0.261 438 M C 2.338 178.699 176.300 0.100 0.000 1.066 438 M CA 1.472 56.849 55.300 0.128 0.000 1.107 438 M CB -0.447 31.983 32.600 -0.283 0.000 1.356 438 M HN 0.314 nan 8.290 nan 0.000 0.406 439 F N 1.205 120.960 119.950 -0.325 0.000 2.134 439 F HA -0.273 3.362 4.527 -1.487 0.000 0.299 439 F C 2.138 177.829 175.800 -0.182 0.000 1.097 439 F CA 1.904 59.629 58.000 -0.458 0.000 1.264 439 F CB -0.249 38.050 39.000 -1.169 0.000 1.001 439 F HN 0.165 nan 8.300 nan 0.000 0.479 440 N N -0.282 118.258 118.700 -0.266 0.000 2.043 440 N HA -0.272 3.496 4.740 -1.621 0.000 0.193 440 N C 1.819 177.161 175.510 -0.281 0.000 1.037 440 N CA 2.161 55.020 53.050 -0.318 0.000 0.851 440 N CB -0.820 37.557 38.487 -0.183 0.000 1.027 440 N HN 0.480 nan 8.380 nan 0.000 0.422 441 Y N 0.317 120.567 120.300 -0.083 0.000 2.151 441 Y HA -0.136 3.436 4.550 -1.629 0.000 0.284 441 Y C 2.207 178.050 175.900 -0.095 0.000 1.166 441 Y CA 1.301 59.360 58.100 -0.069 0.000 1.163 441 Y CB -0.135 38.380 38.460 0.093 0.000 0.974 441 Y HN 0.136 nan 8.280 nan 0.000 0.511 442 I N -1.542 119.093 120.570 0.107 0.000 2.252 442 I HA -0.328 2.869 4.170 -1.621 0.000 0.245 442 I C 2.273 178.315 176.117 -0.125 0.000 1.102 442 I CA 0.847 62.156 61.300 0.015 0.000 1.385 442 I CB -0.454 37.559 38.000 0.022 0.000 1.064 442 I HN 0.297 nan 8.210 nan 0.000 0.414 443 C N 0.829 119.933 119.300 -0.327 0.000 2.413 443 C HA -0.142 3.345 4.460 -1.621 0.000 0.277 443 C C 2.572 177.454 174.990 -0.181 0.000 1.265 443 C CA 0.824 59.652 59.018 -0.316 0.000 1.752 443 C CB -1.478 25.954 27.740 -0.514 0.000 1.998 443 C HN 0.552 nan 8.230 nan 0.000 0.489 444 N N -0.118 118.456 118.700 -0.209 0.000 2.188 444 N HA -0.123 3.644 4.740 -1.621 0.000 0.184 444 N C 1.439 176.838 175.510 -0.186 0.000 1.018 444 N CA 1.318 54.237 53.050 -0.219 0.000 0.858 444 N CB -0.785 37.502 38.487 -0.334 0.000 0.989 444 N HN 0.772 nan 8.380 nan 0.000 0.426 445 H N 0.275 119.189 119.070 -0.260 0.000 2.293 445 H HA -0.005 3.579 4.556 -1.621 0.000 0.300 445 H C 1.827 177.187 175.328 0.054 0.000 1.082 445 H CA 1.487 57.470 56.048 -0.108 0.000 1.308 445 H CB 0.086 29.837 29.762 -0.019 0.000 1.375 445 H HN -0.115 nan 8.280 nan 0.000 0.495 446 V N 1.174 121.227 119.914 0.232 0.000 2.282 446 V HA -0.305 2.842 4.120 -1.621 0.000 0.249 446 V C 2.522 178.693 176.094 0.128 0.000 1.057 446 V CA 2.388 64.779 62.300 0.152 0.000 1.032 446 V CB -0.597 31.238 31.823 0.019 0.000 0.645 446 V HN 0.448 nan 8.190 nan 0.000 0.447 447 K N -1.024 119.421 120.400 0.074 0.000 2.057 447 K HA -0.237 3.110 4.320 -1.621 0.000 0.206 447 K C 2.279 178.932 176.600 0.087 0.000 1.050 447 K CA 1.927 58.246 56.287 0.054 0.000 0.935 447 K CB -0.374 32.134 32.500 0.014 0.000 0.715 447 K HN 0.529 nan 8.250 nan 0.000 0.439 448 Y N 0.755 121.068 120.300 0.022 0.000 2.145 448 Y HA -0.211 3.365 4.550 -1.623 0.000 0.286 448 Y C 1.998 177.961 175.900 0.105 0.000 1.145 448 Y CA 1.869 60.013 58.100 0.073 0.000 1.148 448 Y CB -0.406 38.137 38.460 0.138 0.000 0.981 448 Y HN 0.167 nan 8.280 nan 0.000 0.507 449 A N -0.761 122.203 122.820 0.240 0.000 1.898 449 A HA -0.141 3.207 4.320 -1.621 0.000 0.216 449 A C 2.201 179.831 177.584 0.076 0.000 1.181 449 A CA 2.120 54.260 52.037 0.173 0.000 0.620 449 A CB -1.281 17.903 19.000 0.306 0.000 0.819 449 A HN 0.514 nan 8.150 nan 0.000 0.442 450 T N -0.188 114.415 114.554 0.081 0.000 2.708 450 T HA -0.125 3.252 4.350 -1.621 0.000 0.266 450 T C 1.122 175.822 174.700 0.000 0.000 1.037 450 T CA 1.401 63.537 62.100 0.061 0.000 1.146 450 T CB -0.415 68.490 68.868 0.062 0.000 0.865 450 T HN 0.649 nan 8.240 nan 0.000 0.435 451 N N 1.050 119.721 118.700 -0.049 0.000 2.727 451 N HA -0.226 3.541 4.740 -1.621 0.000 0.249 451 N C -0.349 175.130 175.510 -0.051 0.000 1.048 451 N CA 0.826 53.823 53.050 -0.089 0.000 0.714 451 N CB -1.596 36.795 38.487 -0.159 0.000 0.959 451 N HN 0.609 nan 8.380 nan 0.000 0.544 452 K N -2.546 117.837 120.400 -0.028 0.000 3.016 452 K HA -0.221 3.126 4.320 -1.621 0.000 0.262 452 K C 1.063 177.647 176.600 -0.026 0.000 1.043 452 K CA 1.080 57.353 56.287 -0.023 0.000 0.761 452 K CB -1.747 30.738 32.500 -0.026 0.000 1.230 452 K HN 0.924 nan 8.250 nan 0.000 0.485 453 G N 0.275 109.066 108.800 -0.016 0.000 2.238 453 G HA2 -0.316 2.671 3.960 -1.621 0.000 0.217 453 G HA3 -0.316 2.671 3.960 -1.621 0.000 0.217 453 G C -0.183 174.704 174.900 -0.022 0.000 0.996 453 G CA 0.043 45.136 45.100 -0.013 0.000 0.632 453 G HN 0.475 nan 8.290 nan 0.000 0.503 454 N N 1.358 120.031 118.700 -0.044 0.000 2.868 454 N HA 0.447 4.214 4.740 -1.621 0.000 0.252 454 N C 0.521 175.992 175.510 -0.063 0.000 1.130 454 N CA -0.451 52.553 53.050 -0.075 0.000 1.026 454 N CB -0.087 38.351 38.487 -0.082 0.000 1.335 454 N HN 0.314 nan 8.380 nan 0.000 0.516 455 L N 2.470 123.675 121.223 -0.029 0.000 2.456 455 L HA 0.260 3.627 4.340 -1.621 0.000 0.272 455 L C 0.567 177.539 176.870 0.171 0.000 1.189 455 L CA 0.106 55.009 54.840 0.105 0.000 0.846 455 L CB 0.585 42.807 42.059 0.271 0.000 1.111 455 L HN 0.374 nan 8.230 nan 0.000 0.475 456 R N 1.418 122.026 120.500 0.180 0.000 2.561 456 R HA 0.353 3.720 4.340 -1.621 0.000 0.297 456 R C -0.819 175.647 176.300 0.276 0.000 0.969 456 R CA -0.647 55.584 56.100 0.219 0.000 0.879 456 R CB 2.132 32.426 30.300 -0.010 0.000 1.178 456 R HN 0.550 nan 8.270 nan 0.000 0.445 457 S N 1.422 117.296 115.700 0.290 0.000 2.549 457 S HA 0.482 3.979 4.470 -1.621 0.000 0.283 457 S C -0.308 174.353 174.600 0.101 0.000 1.320 457 S CA -0.241 58.036 58.200 0.128 0.000 1.058 457 S CB 1.219 64.462 63.200 0.073 0.000 0.882 457 S HN 0.684 nan 8.310 nan 0.000 0.498 458 A N 2.691 125.524 122.820 0.022 0.000 2.606 458 A HA 0.835 4.182 4.320 -1.621 0.000 0.293 458 A C -1.217 176.368 177.584 0.002 0.000 1.082 458 A CA -0.672 51.303 52.037 -0.104 0.000 0.685 458 A CB 1.184 20.025 19.000 -0.264 0.000 1.284 458 A HN 0.804 nan 8.150 nan 0.000 0.408 459 I N 0.317 120.880 120.570 -0.010 0.000 2.686 459 I HA 0.661 3.858 4.170 -1.621 0.000 0.295 459 I C -1.047 175.168 176.117 0.163 0.000 1.114 459 I CA -0.112 61.304 61.300 0.193 0.000 1.038 459 I CB 2.436 40.506 38.000 0.117 0.000 1.238 459 I HN 0.587 nan 8.210 nan 0.000 0.420 460 T N 7.778 122.481 114.554 0.249 0.000 2.792 460 T HA 0.573 3.950 4.350 -1.621 0.000 0.280 460 T C -0.411 174.127 174.700 -0.270 0.000 0.990 460 T CA -0.226 61.879 62.100 0.009 0.000 0.960 460 T CB 0.903 69.793 68.868 0.035 0.000 0.939 460 T HN 0.303 nan 8.240 nan 0.000 0.439 461 I N 4.204 124.510 120.570 -0.440 0.000 2.359 461 I HA 0.392 3.589 4.170 -1.621 0.000 0.284 461 I C -0.467 175.321 176.117 -0.548 0.000 1.018 461 I CA -0.674 60.379 61.300 -0.412 0.000 1.173 461 I CB 0.647 38.386 38.000 -0.436 0.000 1.326 461 I HN 0.472 nan 8.210 nan 0.000 0.462 462 F N 6.694 126.557 119.950 -0.145 0.000 2.375 462 F HA 0.405 3.964 4.527 -1.613 0.000 0.313 462 F C -1.822 173.841 175.800 -0.229 0.000 1.176 462 F CA -2.193 55.644 58.000 -0.272 0.000 1.142 462 F CB -0.228 38.642 39.000 -0.218 0.000 1.275 462 F HN 0.219 nan 8.300 nan 0.000 0.544 463 P HA -0.005 nan 4.420 nan 0.000 0.267 463 P C -1.024 176.253 177.300 -0.040 0.000 1.200 463 P CA -0.221 62.728 63.100 -0.252 0.000 0.772 463 P CB 0.262 31.637 31.700 -0.542 0.000 0.855 464 Q N 2.704 122.457 119.800 -0.079 0.000 2.394 464 Q HA 0.155 3.522 4.340 -1.621 0.000 0.248 464 Q C 0.121 176.029 176.000 -0.153 0.000 0.992 464 Q CA -0.654 54.920 55.803 -0.381 0.000 0.888 464 Q CB 0.696 28.930 28.738 -0.840 0.000 1.257 464 Q HN 0.303 nan 8.270 nan 0.000 0.462 465 R N 0.883 121.289 120.500 -0.156 0.000 2.583 465 R HA -0.059 3.308 4.340 -1.621 0.000 0.274 465 R C 0.182 176.446 176.300 -0.060 0.000 0.998 465 R CA 1.263 57.334 56.100 -0.047 0.000 1.081 465 R CB 0.442 30.703 30.300 -0.065 0.000 0.940 465 R HN 0.965 nan 8.270 nan 0.000 0.413 466 T N -0.160 114.398 114.554 0.007 0.000 3.507 466 T HA 0.015 3.392 4.350 -1.621 0.000 0.197 466 T C 0.853 175.555 174.700 0.004 0.000 0.847 466 T CA 0.282 62.373 62.100 -0.014 0.000 1.531 466 T CB -0.315 68.535 68.868 -0.029 0.000 1.834 466 T HN 0.713 nan 8.240 nan 0.000 0.433 467 D N 0.552 120.973 120.400 0.035 0.000 2.339 467 D HA 0.331 3.998 4.640 -1.621 0.000 0.217 467 D C 1.581 177.925 176.300 0.073 0.000 1.050 467 D CA 0.576 54.608 54.000 0.052 0.000 0.856 467 D CB -0.412 40.426 40.800 0.065 0.000 0.922 467 D HN 0.954 nan 8.370 nan 0.000 0.518 468 G N 0.650 109.501 108.800 0.085 0.000 2.199 468 G HA2 -0.362 2.625 3.960 -1.621 0.000 0.254 468 G HA3 -0.362 2.625 3.960 -1.621 0.000 0.254 468 G C 1.013 175.954 174.900 0.068 0.000 0.982 468 G CA 0.351 45.489 45.100 0.063 0.000 0.632 468 G HN 0.438 nan 8.290 nan 0.000 0.529 469 K N -0.332 120.140 120.400 0.120 0.000 2.374 469 K HA 0.239 3.586 4.320 -1.621 0.000 0.196 469 K C 0.546 177.048 176.600 -0.163 0.000 1.023 469 K CA 0.247 56.540 56.287 0.009 0.000 1.103 469 K CB 0.204 32.701 32.500 -0.004 0.000 0.848 469 K HN 0.548 nan 8.250 nan 0.000 0.528 470 H N -0.102 118.970 119.070 0.004 0.000 2.562 470 H HA 0.168 3.751 4.556 -1.622 0.000 0.249 470 H C -1.115 174.201 175.328 -0.020 0.000 1.195 470 H CA -0.816 55.221 56.048 -0.019 0.000 0.938 470 H CB 0.196 29.969 29.762 0.019 0.000 1.891 470 H HN -0.017 nan 8.280 nan 0.000 0.595 471 D N 0.471 120.905 120.400 0.057 0.000 2.455 471 D HA 0.009 3.677 4.640 -1.621 0.000 0.241 471 D C -0.065 176.241 176.300 0.009 0.000 1.138 471 D CA 0.413 54.469 54.000 0.093 0.000 0.877 471 D CB 0.460 41.293 40.800 0.055 0.000 1.187 471 D HN 0.118 nan 8.370 nan 0.000 0.451 472 F N 2.479 122.459 119.950 0.050 0.000 2.410 472 F HA 0.395 3.945 4.527 -1.629 0.000 0.348 472 F C 1.014 176.832 175.800 0.029 0.000 1.106 472 F CA -0.196 57.816 58.000 0.020 0.000 1.163 472 F CB 0.754 39.774 39.000 0.034 0.000 1.129 472 F HN -0.133 nan 8.300 nan 0.000 0.516 473 R N 1.812 122.401 120.500 0.148 0.000 2.626 473 R HA 0.511 3.878 4.340 -1.621 0.000 0.274 473 R C -1.679 174.733 176.300 0.187 0.000 1.031 473 R CA -0.958 55.238 56.100 0.160 0.000 0.898 473 R CB 2.048 32.439 30.300 0.151 0.000 1.222 473 R HN 0.364 nan 8.270 nan 0.000 0.455 474 V N 2.897 122.908 119.914 0.163 0.000 2.383 474 V HA 0.157 3.305 4.120 -1.621 0.000 0.275 474 V C 0.432 176.710 176.094 0.306 0.000 1.036 474 V CA -0.380 62.030 62.300 0.184 0.000 0.889 474 V CB 1.266 33.136 31.823 0.079 0.000 0.985 474 V HN 0.733 nan 8.190 nan 0.000 0.459 475 W N 2.246 123.615 121.300 0.116 0.000 2.436 475 W HA 0.016 3.719 4.660 -1.594 0.000 0.284 475 W C 1.122 177.749 176.519 0.181 0.000 1.225 475 W CA -0.233 57.287 57.345 0.292 0.000 1.271 475 W CB -0.666 29.100 29.460 0.510 0.000 1.114 475 W HN 0.547 nan 8.180 nan 0.000 0.559 476 N N 0.237 118.996 118.700 0.098 0.000 2.345 476 N HA -0.038 3.729 4.740 -1.621 0.000 0.243 476 N C 1.318 176.668 175.510 -0.268 0.000 1.246 476 N CA 1.049 53.809 53.050 -0.484 0.000 0.863 476 N CB 0.497 38.785 38.487 -0.333 0.000 1.096 476 N HN -0.067 nan 8.380 nan 0.000 0.446 477 S N 0.634 116.145 115.700 -0.315 0.000 2.425 477 S HA -0.023 3.474 4.470 -1.621 0.000 0.225 477 S C 0.318 174.813 174.600 -0.175 0.000 1.024 477 S CA 0.567 58.670 58.200 -0.161 0.000 0.951 477 S CB 0.065 63.215 63.200 -0.083 0.000 0.796 477 S HN 0.647 nan 8.310 nan 0.000 0.498 478 Q N -0.517 119.155 119.800 -0.213 0.000 2.423 478 Q HA 0.535 3.902 4.340 -1.621 0.000 0.278 478 Q C 0.322 176.162 176.000 -0.266 0.000 1.097 478 Q CA -0.552 55.115 55.803 -0.227 0.000 0.809 478 Q CB 2.009 30.652 28.738 -0.158 0.000 1.391 478 Q HN 0.106 nan 8.270 nan 0.000 0.428 479 L N 0.507 121.568 121.223 -0.270 0.000 2.046 479 L HA -0.050 3.317 4.340 -1.621 0.000 0.208 479 L C 0.486 177.179 176.870 -0.295 0.000 1.077 479 L CA 1.359 56.054 54.840 -0.242 0.000 0.747 479 L CB -0.046 41.871 42.059 -0.236 0.000 0.896 479 L HN 0.505 nan 8.230 nan 0.000 0.432 480 I N -0.132 120.170 120.570 -0.447 0.000 2.411 480 I HA 0.322 3.519 4.170 -1.621 0.000 0.284 480 I C -0.242 175.255 176.117 -1.032 0.000 1.012 480 I CA -0.108 60.768 61.300 -0.707 0.000 1.119 480 I CB 1.269 38.773 38.000 -0.826 0.000 1.261 480 I HN 0.042 nan 8.210 nan 0.000 0.448 481 R N 4.310 124.370 120.500 -0.733 0.000 2.764 481 R HA 0.533 3.900 4.340 -1.621 0.000 0.270 481 R C -1.604 174.444 176.300 -0.419 0.000 1.014 481 R CA -1.095 54.684 56.100 -0.535 0.000 0.904 481 R CB 2.319 32.494 30.300 -0.208 0.000 1.236 481 R HN 0.339 nan 8.270 nan 0.000 0.466 482 Y N 0.148 120.487 120.300 0.064 0.000 2.352 482 Y HA 0.466 4.044 4.550 -1.620 0.000 0.326 482 Y C 0.797 176.774 175.900 0.130 0.000 1.166 482 Y CA -0.781 57.416 58.100 0.161 0.000 1.182 482 Y CB 1.501 40.163 38.460 0.336 0.000 1.216 482 Y HN 0.628 nan 8.280 nan 0.000 0.474 483 A N 1.495 124.495 122.820 0.300 0.000 2.425 483 A HA 0.565 3.912 4.320 -1.621 0.000 0.242 483 A C 0.405 177.914 177.584 -0.126 0.000 1.077 483 A CA 0.279 52.338 52.037 0.037 0.000 0.781 483 A CB -0.218 18.824 19.000 0.071 0.000 1.020 483 A HN 0.892 nan 8.150 nan 0.000 0.494 484 G N -0.040 108.558 108.800 -0.337 0.000 2.590 484 G HA2 0.579 3.566 3.960 -1.621 0.000 0.310 484 G HA3 0.579 3.566 3.960 -1.621 0.000 0.310 484 G C -1.362 173.278 174.900 -0.433 0.000 1.347 484 G CA -0.287 44.646 45.100 -0.279 0.000 0.963 484 G HN 0.538 nan 8.290 nan 0.000 0.494 485 Y N 0.996 121.319 120.300 0.038 0.000 2.350 485 Y HA 0.459 4.035 4.550 -1.623 0.000 0.338 485 Y C 0.572 176.474 175.900 0.004 0.000 0.961 485 Y CA -0.956 57.161 58.100 0.028 0.000 1.100 485 Y CB 2.399 40.874 38.460 0.025 0.000 1.179 485 Y HN 0.329 nan 8.280 nan 0.000 0.454 486 K N 3.013 123.495 120.400 0.137 0.000 2.298 486 K HA 0.265 3.613 4.320 -1.621 0.000 0.280 486 K C -0.552 176.093 176.600 0.076 0.000 1.032 486 K CA -0.214 56.120 56.287 0.079 0.000 0.958 486 K CB 0.651 33.179 32.500 0.048 0.000 0.978 486 K HN 0.672 nan 8.250 nan 0.000 0.472 487 Q N 2.720 122.548 119.800 0.047 0.000 2.348 487 Q HA 0.209 3.576 4.340 -1.621 0.000 0.271 487 Q C -1.784 174.223 176.000 0.011 0.000 1.067 487 Q CA -2.136 53.682 55.803 0.025 0.000 0.839 487 Q CB 1.529 30.276 28.738 0.016 0.000 1.354 487 Q HN 0.342 nan 8.270 nan 0.000 0.447 488 P HA -0.231 nan 4.420 nan 0.000 0.217 488 P C 0.549 177.847 177.300 -0.003 0.000 1.151 488 P CA 1.461 64.559 63.100 -0.004 0.000 0.849 488 P CB 0.265 31.958 31.700 -0.011 0.000 0.787 489 D N -1.732 118.665 120.400 -0.004 0.000 2.172 489 D HA -0.143 3.524 4.640 -1.621 0.000 0.196 489 D C 1.597 177.897 176.300 -0.000 0.000 0.999 489 D CA 2.228 56.226 54.000 -0.004 0.000 0.856 489 D CB -0.629 40.168 40.800 -0.005 0.000 0.934 489 D HN 0.221 nan 8.370 nan 0.000 0.453 490 G N -1.358 107.445 108.800 0.004 0.000 2.238 490 G HA2 -0.254 2.734 3.960 -1.621 0.000 0.217 490 G HA3 -0.254 2.734 3.960 -1.621 0.000 0.217 490 G C 0.507 175.412 174.900 0.008 0.000 0.996 490 G CA 0.586 45.690 45.100 0.007 0.000 0.632 490 G HN 0.697 nan 8.290 nan 0.000 0.503 491 S N -0.219 115.485 115.700 0.007 0.000 2.661 491 S HA 0.706 4.203 4.470 -1.621 0.000 0.265 491 S C 0.054 174.661 174.600 0.012 0.000 1.225 491 S CA 0.559 58.763 58.200 0.006 0.000 0.986 491 S CB 1.636 64.838 63.200 0.003 0.000 1.008 491 S HN 0.600 nan 8.310 nan 0.000 0.565 492 T N 1.315 115.872 114.554 0.005 0.000 2.807 492 T HA 0.518 3.895 4.350 -1.621 0.000 0.279 492 T C -0.789 173.914 174.700 0.006 0.000 0.993 492 T CA -0.496 61.609 62.100 0.009 0.000 0.970 492 T CB 1.041 69.900 68.868 -0.016 0.000 0.950 492 T HN 0.561 nan 8.240 nan 0.000 0.441 493 L N 3.683 124.942 121.223 0.060 0.000 2.289 493 L HA 0.717 4.084 4.340 -1.621 0.000 0.285 493 L C 0.715 177.637 176.870 0.087 0.000 1.049 493 L CA 1.100 55.983 54.840 0.072 0.000 0.804 493 L CB -0.012 42.110 42.059 0.106 0.000 1.195 493 L HN 0.966 nan 8.230 nan 0.000 0.428 494 G N 3.860 112.635 108.800 -0.042 0.000 2.499 494 G HA2 -0.238 2.749 3.960 -1.621 0.000 0.232 494 G HA3 -0.238 2.749 3.960 -1.621 0.000 0.232 494 G C -0.736 173.867 174.900 -0.496 0.000 1.251 494 G CA 0.000 45.030 45.100 -0.117 0.000 0.917 494 G HN 0.822 nan 8.290 nan 0.000 0.580 495 D N 1.710 121.931 120.400 -0.299 0.000 2.347 495 D HA 0.528 4.195 4.640 -1.621 0.000 0.235 495 D C -0.946 175.271 176.300 -0.137 0.000 1.149 495 D CA -1.885 51.917 54.000 -0.330 0.000 0.850 495 D CB 1.352 42.287 40.800 0.225 0.000 1.061 495 D HN -0.005 nan 8.370 nan 0.000 0.487 496 P HA -0.070 nan 4.420 nan 0.000 0.222 496 P C 0.949 178.254 177.300 0.009 0.000 1.147 496 P CA 0.768 63.835 63.100 -0.055 0.000 0.790 496 P CB 0.230 31.900 31.700 -0.050 0.000 0.780 497 A N -0.274 122.573 122.820 0.046 0.000 2.076 497 A HA -0.165 3.182 4.320 -1.621 0.000 0.220 497 A C 1.746 179.386 177.584 0.094 0.000 1.160 497 A CA 1.541 53.630 52.037 0.088 0.000 0.653 497 A CB -0.910 18.170 19.000 0.133 0.000 0.801 497 A HN 0.169 nan 8.150 nan 0.000 0.455 498 N N -0.756 117.990 118.700 0.076 0.000 2.204 498 N HA 0.131 3.898 4.740 -1.621 0.000 0.219 498 N C 1.206 176.742 175.510 0.044 0.000 1.151 498 N CA 0.313 53.415 53.050 0.088 0.000 0.867 498 N CB 0.569 39.115 38.487 0.099 0.000 1.043 498 N HN 0.202 nan 8.380 nan 0.000 0.516 499 V N 1.308 121.226 119.914 0.007 0.000 2.231 499 V HA -0.297 2.851 4.120 -1.621 0.000 0.248 499 V C 2.600 178.673 176.094 -0.034 0.000 1.054 499 V CA 1.913 64.196 62.300 -0.029 0.000 1.015 499 V CB -0.451 31.367 31.823 -0.008 0.000 0.638 499 V HN 0.359 nan 8.190 nan 0.000 0.444 500 Q N -1.119 118.671 119.800 -0.016 0.000 2.050 500 Q HA -0.252 3.116 4.340 -1.621 0.000 0.202 500 Q C 2.155 178.027 176.000 -0.215 0.000 0.980 500 Q CA 2.317 58.065 55.803 -0.091 0.000 0.840 500 Q CB -0.227 28.486 28.738 -0.041 0.000 0.898 500 Q HN 0.639 nan 8.270 nan 0.000 0.424 501 F N 0.745 120.518 119.950 -0.295 0.000 2.134 501 F HA -0.193 3.357 4.527 -1.629 0.000 0.299 501 F C 2.157 177.829 175.800 -0.214 0.000 1.097 501 F CA 1.918 59.711 58.000 -0.344 0.000 1.264 501 F CB -0.506 38.387 39.000 -0.179 0.000 1.001 501 F HN 0.024 nan 8.300 nan 0.000 0.479 502 T N 0.171 114.671 114.554 -0.092 0.000 2.699 502 T HA -0.247 3.130 4.350 -1.621 0.000 0.268 502 T C 1.743 176.365 174.700 -0.130 0.000 1.036 502 T CA 1.954 63.976 62.100 -0.131 0.000 1.147 502 T CB -0.415 68.363 68.868 -0.149 0.000 0.862 502 T HN 0.417 nan 8.240 nan 0.000 0.446 503 E N 0.404 120.523 120.200 -0.135 0.000 2.077 503 E HA -0.057 3.321 4.350 -1.621 0.000 0.193 503 E C 2.229 178.731 176.600 -0.165 0.000 0.989 503 E CA 0.880 57.219 56.400 -0.102 0.000 0.800 503 E CB -0.282 29.363 29.700 -0.091 0.000 0.746 503 E HN 0.481 nan 8.360 nan 0.000 0.452 504 I N 0.744 121.138 120.570 -0.294 0.000 2.286 504 I HA -0.326 2.871 4.170 -1.621 0.000 0.248 504 I C 2.414 178.350 176.117 -0.303 0.000 1.115 504 I CA 0.673 61.791 61.300 -0.304 0.000 1.392 504 I CB -0.240 37.519 38.000 -0.401 0.000 1.065 504 I HN 0.266 nan 8.210 nan 0.000 0.418 505 C N 0.702 119.748 119.300 -0.423 0.000 2.436 505 C HA -0.148 3.339 4.460 -1.621 0.000 0.277 505 C C 2.702 177.680 174.990 -0.020 0.000 1.241 505 C CA 0.591 59.429 59.018 -0.301 0.000 1.721 505 C CB -0.808 26.677 27.740 -0.424 0.000 2.043 505 C HN 0.426 nan 8.230 nan 0.000 0.472 506 I N 0.967 121.574 120.570 0.063 0.000 2.226 506 I HA -0.270 2.927 4.170 -1.621 0.000 0.245 506 I C 2.863 178.979 176.117 -0.002 0.000 1.100 506 I CA 1.815 63.176 61.300 0.102 0.000 1.374 506 I CB -0.720 37.340 38.000 0.099 0.000 1.057 506 I HN 0.509 nan 8.210 nan 0.000 0.413 507 Q N 0.677 120.441 119.800 -0.061 0.000 2.291 507 Q HA -0.211 3.156 4.340 -1.621 0.000 0.205 507 Q C 1.691 177.614 176.000 -0.128 0.000 0.970 507 Q CA 1.145 56.887 55.803 -0.101 0.000 0.876 507 Q CB 0.047 28.707 28.738 -0.130 0.000 0.935 507 Q HN 0.521 nan 8.270 nan 0.000 0.455 508 Q N -0.896 118.832 119.800 -0.121 0.000 2.360 508 Q HA 0.124 3.491 4.340 -1.621 0.000 0.202 508 Q C 0.760 176.710 176.000 -0.084 0.000 0.915 508 Q CA 0.900 56.627 55.803 -0.126 0.000 0.943 508 Q CB 1.323 29.977 28.738 -0.141 0.000 1.064 508 Q HN 0.642 nan 8.270 nan 0.000 0.511 509 G N -0.270 108.507 108.800 -0.039 0.000 2.318 509 G HA2 -0.188 2.800 3.960 -1.621 0.000 0.172 509 G HA3 -0.188 2.800 3.960 -1.621 0.000 0.172 509 G C -0.413 174.516 174.900 0.050 0.000 1.002 509 G CA -0.400 44.689 45.100 -0.018 0.000 0.697 509 G HN 0.249 nan 8.290 nan 0.000 0.483 510 W N 3.735 124.969 121.300 -0.110 0.000 2.231 510 W HA 0.500 4.182 4.660 -1.629 0.000 0.341 510 W C 0.925 177.417 176.519 -0.044 0.000 1.298 510 W CA 0.026 57.323 57.345 -0.080 0.000 1.266 510 W CB 0.641 30.055 29.460 -0.077 0.000 1.172 510 W HN 0.252 nan 8.180 nan 0.000 0.568 511 K N 5.226 125.257 120.400 -0.615 0.000 2.229 511 K HA 0.647 3.994 4.320 -1.621 0.000 0.247 511 K C -0.166 175.753 176.600 -1.135 0.000 1.117 511 K CA -0.540 55.367 56.287 -0.633 0.000 1.036 511 K CB 0.184 32.472 32.500 -0.353 0.000 1.654 511 K HN 0.395 nan 8.250 nan 0.000 0.405 512 A N 3.529 125.703 122.820 -1.077 0.000 2.492 512 A HA 0.210 3.557 4.320 -1.621 0.000 0.254 512 A C -1.457 175.785 177.584 -0.570 0.000 1.091 512 A CA -1.209 50.144 52.037 -1.142 0.000 0.768 512 A CB 0.072 18.867 19.000 -0.342 0.000 1.028 512 A HN 0.560 nan 8.150 nan 0.000 0.498 513 P HA -0.010 nan 4.420 nan 0.000 0.229 513 P C -0.004 177.153 177.300 -0.238 0.000 1.160 513 P CA 0.105 63.078 63.100 -0.212 0.000 0.777 513 P CB 0.084 31.750 31.700 -0.056 0.000 0.814 514 R N -1.090 119.178 120.500 -0.385 0.000 3.267 514 R HA -0.096 3.271 4.340 -1.621 0.000 0.254 514 R C 0.611 176.692 176.300 -0.364 0.000 0.993 514 R CA 0.308 55.912 56.100 -0.827 0.000 0.670 514 R CB -2.346 27.530 30.300 -0.707 0.000 1.125 514 R HN 0.358 nan 8.270 nan 0.000 0.434 515 G N -0.714 108.047 108.800 -0.065 0.000 2.820 515 G HA2 0.402 3.389 3.960 -1.621 0.000 0.291 515 G HA3 0.402 3.389 3.960 -1.621 0.000 0.291 515 G C 0.288 175.270 174.900 0.136 0.000 1.323 515 G CA -0.574 44.554 45.100 0.047 0.000 1.055 515 G HN 0.206 nan 8.290 nan 0.000 0.520 516 R N -1.470 119.056 120.500 0.043 0.000 2.153 516 R HA 0.167 3.534 4.340 -1.621 0.000 0.218 516 R C -0.003 176.064 176.300 -0.389 0.000 1.072 516 R CA 0.751 56.756 56.100 -0.160 0.000 0.990 516 R CB -0.071 30.067 30.300 -0.270 0.000 0.889 516 R HN 0.383 nan 8.270 nan 0.000 0.452 517 F N 1.179 121.176 119.950 0.078 0.000 2.566 517 F HA 0.256 3.809 4.527 -1.623 0.000 0.347 517 F C -1.089 174.793 175.800 0.137 0.000 1.515 517 F CA -1.104 56.766 58.000 -0.217 0.000 1.103 517 F CB 0.955 39.641 39.000 -0.523 0.000 1.385 517 F HN -0.205 nan 8.300 nan 0.000 0.560 518 D N 1.784 122.479 120.400 0.491 0.000 2.316 518 D HA 0.169 3.837 4.640 -1.621 0.000 0.245 518 D C 0.253 176.906 176.300 0.587 0.000 1.171 518 D CA 0.028 54.354 54.000 0.543 0.000 0.856 518 D CB 2.112 43.273 40.800 0.600 0.000 1.090 518 D HN -0.054 nan 8.370 nan 0.000 0.476 519 V N 3.615 123.815 119.914 0.477 0.000 2.509 519 V HA -0.077 3.070 4.120 -1.621 0.000 0.297 519 V C 1.121 177.280 176.094 0.107 0.000 1.014 519 V CA -0.089 62.335 62.300 0.207 0.000 1.127 519 V CB -0.076 31.817 31.823 0.116 0.000 0.925 519 V HN 0.366 nan 8.190 nan 0.000 0.480 520 L N 8.463 129.642 121.223 -0.072 0.000 2.461 520 L HA 0.260 3.627 4.340 -1.621 0.000 0.272 520 L C -1.597 175.089 176.870 -0.306 0.000 1.197 520 L CA -1.274 53.396 54.840 -0.284 0.000 0.836 520 L CB 0.627 42.604 42.059 -0.137 0.000 1.105 520 L HN 0.492 nan 8.230 nan 0.000 0.477 521 P HA 0.158 nan 4.420 nan 0.000 0.274 521 P C -0.843 176.388 177.300 -0.115 0.000 1.237 521 P CA -0.413 62.476 63.100 -0.352 0.000 0.793 521 P CB 0.786 32.100 31.700 -0.643 0.000 0.977 522 L N 1.458 122.689 121.223 0.013 0.000 2.395 522 L HA 0.357 3.725 4.340 -1.621 0.000 0.269 522 L C 0.649 177.595 176.870 0.127 0.000 1.133 522 L CA -0.501 54.408 54.840 0.116 0.000 0.812 522 L CB 0.249 42.417 42.059 0.182 0.000 1.125 522 L HN 0.259 nan 8.230 nan 0.000 0.452 523 L N 4.557 125.891 121.223 0.184 0.000 2.388 523 L HA 0.478 3.845 4.340 -1.621 0.000 0.267 523 L C -0.995 175.885 176.870 0.016 0.000 0.995 523 L CA -0.280 54.589 54.840 0.047 0.000 0.864 523 L CB 1.206 43.309 42.059 0.072 0.000 1.216 523 L HN 0.491 nan 8.230 nan 0.000 0.430 524 L N 4.025 125.246 121.223 -0.003 0.000 2.322 524 L HA 0.513 3.880 4.340 -1.621 0.000 0.281 524 L C -0.351 176.447 176.870 -0.121 0.000 1.014 524 L CA -0.432 54.405 54.840 -0.004 0.000 0.815 524 L CB 1.972 44.059 42.059 0.046 0.000 1.247 524 L HN 0.549 nan 8.230 nan 0.000 0.421 525 Q N 2.919 122.651 119.800 -0.114 0.000 2.333 525 Q HA 0.714 4.081 4.340 -1.621 0.000 0.268 525 Q C -1.420 174.446 176.000 -0.223 0.000 1.007 525 Q CA -0.600 55.096 55.803 -0.178 0.000 0.810 525 Q CB 2.107 30.804 28.738 -0.068 0.000 1.264 525 Q HN 0.770 nan 8.270 nan 0.000 0.452 526 A N 4.169 126.797 122.820 -0.321 0.000 2.330 526 A HA 0.391 3.738 4.320 -1.621 0.000 0.327 526 A C 0.152 177.253 177.584 -0.805 0.000 1.155 526 A CA -0.399 51.236 52.037 -0.671 0.000 0.803 526 A CB 0.755 19.606 19.000 -0.248 0.000 1.208 526 A HN 1.123 nan 8.150 nan 0.000 0.477 527 N N 0.845 118.630 118.700 -1.524 0.000 2.725 527 N HA -0.245 3.523 4.740 -1.621 0.000 0.249 527 N C 0.996 176.316 175.510 -0.315 0.000 1.103 527 N CA 1.337 53.985 53.050 -0.669 0.000 0.707 527 N CB -0.663 37.678 38.487 -0.243 0.000 1.043 527 N HN 2.205 nan 8.380 nan 0.000 0.553 528 G N -1.139 107.462 108.800 -0.331 0.000 2.175 528 G HA2 -0.345 2.642 3.960 -1.621 0.000 0.265 528 G HA3 -0.345 2.642 3.960 -1.621 0.000 0.265 528 G C 0.288 175.105 174.900 -0.138 0.000 0.979 528 G CA 0.695 45.676 45.100 -0.197 0.000 0.663 528 G HN 0.597 nan 8.290 nan 0.000 0.533 529 N N 0.966 119.562 118.700 -0.175 0.000 2.317 529 N HA 0.291 4.059 4.740 -1.621 0.000 0.245 529 N C 0.064 175.497 175.510 -0.127 0.000 1.294 529 N CA -0.287 52.703 53.050 -0.099 0.000 0.924 529 N CB 0.246 38.679 38.487 -0.091 0.000 1.186 529 N HN 0.157 nan 8.380 nan 0.000 0.495 530 D N 1.113 121.484 120.400 -0.049 0.000 2.443 530 D HA 0.133 3.801 4.640 -1.621 0.000 0.239 530 D C -1.857 174.279 176.300 -0.273 0.000 1.136 530 D CA -0.500 53.428 54.000 -0.119 0.000 0.879 530 D CB 0.135 41.010 40.800 0.125 0.000 1.195 530 D HN 0.274 nan 8.370 nan 0.000 0.443 531 P HA 0.178 nan 4.420 nan 0.000 0.274 531 P C -0.655 176.441 177.300 -0.340 0.000 1.237 531 P CA -0.313 62.449 63.100 -0.564 0.000 0.793 531 P CB 1.240 32.187 31.700 -1.254 0.000 0.977 532 E N 0.589 120.636 120.200 -0.256 0.000 2.277 532 E HA 0.478 3.856 4.350 -1.621 0.000 0.266 532 E C -0.568 175.784 176.600 -0.412 0.000 0.901 532 E CA -1.007 55.203 56.400 -0.316 0.000 0.782 532 E CB 1.623 31.116 29.700 -0.345 0.000 1.228 532 E HN 0.335 nan 8.360 nan 0.000 0.424 533 L N 2.164 123.054 121.223 -0.554 0.000 2.350 533 L HA 0.475 3.842 4.340 -1.621 0.000 0.275 533 L C -0.877 175.447 176.870 -0.910 0.000 1.099 533 L CA -0.263 54.281 54.840 -0.495 0.000 0.808 533 L CB 0.243 42.119 42.059 -0.304 0.000 1.149 533 L HN 0.427 nan 8.230 nan 0.000 0.442 534 F N 0.511 120.262 119.950 -0.333 0.000 2.591 534 F HA 0.322 3.181 4.527 -2.780 0.000 0.309 534 F C -0.114 175.498 175.800 -0.313 0.000 1.098 534 F CA -0.674 57.002 58.000 -0.539 0.000 0.937 534 F CB 1.789 40.109 39.000 -1.133 0.000 1.250 534 F HN 0.347 nan 8.300 nan 0.000 0.447 535 Q N 3.760 123.529 119.800 -0.052 0.000 2.360 535 Q HA 0.481 3.848 4.340 -1.621 0.000 0.254 535 Q C -0.548 175.597 176.000 0.242 0.000 0.975 535 Q CA -0.508 55.353 55.803 0.097 0.000 0.912 535 Q CB 0.787 29.607 28.738 0.135 0.000 1.212 535 Q HN 0.676 nan 8.270 nan 0.000 0.452 536 I N 6.915 127.661 120.570 0.293 0.000 2.821 536 I HA -0.032 3.165 4.170 -1.621 0.000 0.294 536 I C -1.873 174.375 176.117 0.219 0.000 1.210 536 I CA -1.420 60.070 61.300 0.316 0.000 1.430 536 I CB 0.082 38.171 38.000 0.148 0.000 1.356 536 I HN 0.469 nan 8.210 nan 0.000 0.563 537 P HA -0.015 nan 4.420 nan 0.000 0.258 537 P C -1.979 175.382 177.300 0.103 0.000 1.172 537 P CA -0.702 62.486 63.100 0.147 0.000 0.762 537 P CB 0.069 31.835 31.700 0.111 0.000 0.764 538 P HA -0.211 nan 4.420 nan 0.000 0.217 538 P C 1.360 178.699 177.300 0.066 0.000 1.148 538 P CA 1.326 64.478 63.100 0.087 0.000 0.828 538 P CB -0.188 31.568 31.700 0.092 0.000 0.783 539 E N 0.049 120.284 120.200 0.058 0.000 2.338 539 E HA -0.121 3.256 4.350 -1.621 0.000 0.197 539 E C 1.516 178.136 176.600 0.034 0.000 1.007 539 E CA 0.986 57.411 56.400 0.042 0.000 0.849 539 E CB -0.947 28.776 29.700 0.038 0.000 0.774 539 E HN 0.327 nan 8.360 nan 0.000 0.506 540 L N 0.874 122.118 121.223 0.036 0.000 2.554 540 L HA 0.145 3.512 4.340 -1.621 0.000 0.225 540 L C 0.589 177.475 176.870 0.027 0.000 1.104 540 L CA -0.091 54.763 54.840 0.024 0.000 0.866 540 L CB 0.631 42.696 42.059 0.010 0.000 1.047 540 L HN -0.123 nan 8.230 nan 0.000 0.468 541 V N 2.489 122.422 119.914 0.033 0.000 2.322 541 V HA 0.120 3.268 4.120 -1.621 0.000 0.258 541 V C 0.101 176.223 176.094 0.046 0.000 1.074 541 V CA -0.510 61.807 62.300 0.029 0.000 0.909 541 V CB 0.980 32.814 31.823 0.019 0.000 1.090 541 V HN 0.065 nan 8.190 nan 0.000 0.486 542 L N 5.715 126.967 121.223 0.049 0.000 2.418 542 L HA 0.379 3.746 4.340 -1.621 0.000 0.274 542 L C 0.201 177.102 176.870 0.052 0.000 1.135 542 L CA 0.737 55.599 54.840 0.037 0.000 0.870 542 L CB 0.120 42.195 42.059 0.028 0.000 1.154 542 L HN 0.655 nan 8.230 nan 0.000 0.462 543 E N 3.334 123.548 120.200 0.024 0.000 2.299 543 E HA 0.614 3.991 4.350 -1.621 0.000 0.265 543 E C -1.398 175.155 176.600 -0.079 0.000 0.911 543 E CA -1.034 55.382 56.400 0.026 0.000 0.789 543 E CB 2.429 32.178 29.700 0.081 0.000 1.246 543 E HN 0.393 nan 8.360 nan 0.000 0.427 544 V N 2.935 122.774 119.914 -0.124 0.000 2.376 544 V HA 0.288 3.435 4.120 -1.621 0.000 0.287 544 V C -2.435 173.629 176.094 -0.051 0.000 1.015 544 V CA -2.131 60.047 62.300 -0.203 0.000 0.834 544 V CB 1.265 32.743 31.823 -0.574 0.000 1.001 544 V HN 0.538 nan 8.190 nan 0.000 0.428 545 P HA 0.205 nan 4.420 nan 0.000 0.267 545 P C -0.589 176.759 177.300 0.080 0.000 1.205 545 P CA -0.041 63.071 63.100 0.020 0.000 0.765 545 P CB 0.366 32.075 31.700 0.016 0.000 0.828 546 I N 4.981 125.643 120.570 0.154 0.000 2.297 546 I HA 0.270 3.467 4.170 -1.621 0.000 0.291 546 I C 1.041 177.348 176.117 0.316 0.000 1.033 546 I CA -0.331 61.122 61.300 0.255 0.000 1.253 546 I CB 0.032 38.262 38.000 0.383 0.000 1.396 546 I HN 0.402 nan 8.210 nan 0.000 0.476 547 R N 5.343 125.983 120.500 0.233 0.000 2.888 547 R HA 0.514 3.882 4.340 -1.621 0.000 0.266 547 R C -0.972 175.365 176.300 0.060 0.000 1.020 547 R CA -0.702 55.537 56.100 0.232 0.000 0.963 547 R CB 2.015 32.440 30.300 0.208 0.000 1.197 547 R HN 0.522 nan 8.270 nan 0.000 0.481 548 H N 2.154 121.116 119.070 -0.179 0.000 2.457 548 H HA 0.267 3.850 4.556 -1.621 0.000 0.335 548 H C -1.675 173.364 175.328 -0.482 0.000 1.115 548 H CA -1.984 53.796 56.048 -0.447 0.000 1.219 548 H CB 2.337 31.747 29.762 -0.586 0.000 1.471 548 H HN 0.351 nan 8.280 nan 0.000 0.491 549 P HA -0.047 nan 4.420 nan 0.000 0.230 549 P C 0.496 177.501 177.300 -0.491 0.000 1.158 549 P CA 1.040 63.493 63.100 -1.079 0.000 0.769 549 P CB 0.700 31.509 31.700 -1.484 0.000 0.807 550 K N -1.453 118.778 120.400 -0.282 0.000 2.380 550 K HA 0.179 3.527 4.320 -1.621 0.000 0.200 550 K C 0.603 177.055 176.600 -0.247 0.000 1.201 550 K CA 0.110 56.218 56.287 -0.298 0.000 0.916 550 K CB 0.251 32.457 32.500 -0.490 0.000 1.187 550 K HN 0.121 nan 8.250 nan 0.000 0.498 551 F N 2.605 122.434 119.950 -0.201 0.000 2.368 551 F HA 0.052 3.606 4.527 -1.622 0.000 0.362 551 F C 1.183 176.695 175.800 -0.480 0.000 1.137 551 F CA -0.774 56.871 58.000 -0.591 0.000 1.161 551 F CB 0.838 39.054 39.000 -1.308 0.000 1.265 551 F HN 0.004 nan 8.300 nan 0.000 0.530 552 D N 4.622 124.983 120.400 -0.066 0.000 2.182 552 D HA -0.199 3.468 4.640 -1.621 0.000 0.201 552 D C 2.014 178.360 176.300 0.076 0.000 0.986 552 D CA 1.325 55.342 54.000 0.028 0.000 0.847 552 D CB 0.031 40.887 40.800 0.093 0.000 0.942 552 D HN 0.668 nan 8.370 nan 0.000 0.467 553 W N -0.552 120.854 121.300 0.176 0.000 2.525 553 W HA -0.081 3.606 4.660 -1.622 0.000 0.259 553 W C 1.580 178.180 176.519 0.134 0.000 1.253 553 W CA -0.344 57.066 57.345 0.107 0.000 1.262 553 W CB -1.399 28.075 29.460 0.024 0.000 1.122 553 W HN -0.097 nan 8.180 nan 0.000 0.607 554 F N 3.794 123.611 119.950 -0.221 0.000 2.120 554 F HA -0.294 3.259 4.527 -1.622 0.000 0.300 554 F C 2.721 178.592 175.800 0.118 0.000 1.095 554 F CA 3.349 61.295 58.000 -0.089 0.000 1.249 554 F CB -0.226 38.637 39.000 -0.229 0.000 0.995 554 F HN -0.108 nan 8.300 nan 0.000 0.480 555 K N -0.553 120.012 120.400 0.274 0.000 2.152 555 K HA -0.195 3.152 4.320 -1.621 0.000 0.206 555 K C 1.360 178.037 176.600 0.129 0.000 1.048 555 K CA 1.895 58.301 56.287 0.200 0.000 0.933 555 K CB -0.610 31.991 32.500 0.167 0.000 0.721 555 K HN 0.164 nan 8.250 nan 0.000 0.447 556 D N 1.337 121.820 120.400 0.139 0.000 2.310 556 D HA -0.084 3.583 4.640 -1.621 0.000 0.212 556 D C 1.773 178.107 176.300 0.057 0.000 0.965 556 D CA 0.733 54.795 54.000 0.103 0.000 0.879 556 D CB -0.077 40.797 40.800 0.124 0.000 0.921 556 D HN 0.267 nan 8.370 nan 0.000 0.510 557 L N -0.175 121.056 121.223 0.014 0.000 2.362 557 L HA -0.008 3.359 4.340 -1.621 0.000 0.219 557 L C 1.514 178.388 176.870 0.005 0.000 1.134 557 L CA 0.715 55.523 54.840 -0.053 0.000 0.807 557 L CB -0.392 41.526 42.059 -0.236 0.000 0.927 557 L HN 0.147 nan 8.230 nan 0.000 0.447 558 G N 0.454 109.281 108.800 0.044 0.000 2.160 558 G HA2 -0.272 2.715 3.960 -1.621 0.000 0.244 558 G HA3 -0.272 2.715 3.960 -1.621 0.000 0.244 558 G C 0.028 174.996 174.900 0.113 0.000 1.022 558 G CA -0.172 44.985 45.100 0.096 0.000 0.741 558 G HN 0.235 nan 8.290 nan 0.000 0.508 559 L N -0.053 121.188 121.223 0.030 0.000 2.312 559 L HA 0.723 4.090 4.340 -1.621 0.000 0.281 559 L C 0.641 177.433 176.870 -0.129 0.000 1.070 559 L CA -0.560 54.244 54.840 -0.061 0.000 0.805 559 L CB 1.493 43.480 42.059 -0.120 0.000 1.174 559 L HN 0.451 nan 8.230 nan 0.000 0.434 560 K N 1.835 121.979 120.400 -0.427 0.000 2.536 560 K HA 0.532 3.880 4.320 -1.621 0.000 0.269 560 K C -1.854 174.752 176.600 0.009 0.000 0.965 560 K CA -1.005 55.154 56.287 -0.213 0.000 0.860 560 K CB 2.567 34.883 32.500 -0.307 0.000 1.423 560 K HN 0.545 nan 8.250 nan 0.000 0.438 561 W N 2.120 123.402 121.300 -0.030 0.000 3.032 561 W HA 0.385 4.075 4.660 -1.616 0.000 0.341 561 W C -1.193 175.406 176.519 0.134 0.000 1.202 561 W CA -0.918 56.464 57.345 0.063 0.000 1.132 561 W CB 1.856 31.244 29.460 -0.119 0.000 1.465 561 W HN 0.709 nan 8.180 nan 0.000 0.576 562 Y N -0.090 120.188 120.300 -0.037 0.000 2.335 562 Y HA 0.580 4.161 4.550 -1.615 0.000 0.323 562 Y C 0.952 177.078 175.900 0.378 0.000 1.224 562 Y CA -0.288 57.839 58.100 0.045 0.000 1.241 562 Y CB 0.400 38.750 38.460 -0.184 0.000 1.235 562 Y HN 0.448 nan 8.280 nan 0.000 0.492 563 G N 1.365 110.412 108.800 0.411 0.000 2.511 563 G HA2 -0.030 2.957 3.960 -1.621 0.000 0.217 563 G HA3 -0.030 2.957 3.960 -1.621 0.000 0.217 563 G C -0.257 174.993 174.900 0.582 0.000 1.133 563 G CA 0.113 45.505 45.100 0.486 0.000 0.792 563 G HN 0.528 nan 8.290 nan 0.000 0.539 564 L N 2.542 124.062 121.223 0.495 0.000 2.277 564 L HA 0.474 3.841 4.340 -1.621 0.000 0.284 564 L C -2.308 174.699 176.870 0.229 0.000 1.028 564 L CA -2.633 52.383 54.840 0.293 0.000 0.835 564 L CB 1.723 43.885 42.059 0.172 0.000 1.215 564 L HN -0.167 nan 8.230 nan 0.000 0.425 565 P HA 0.380 nan 4.420 nan 0.000 0.287 565 P C -1.409 175.784 177.300 -0.178 0.000 1.294 565 P CA -0.379 62.578 63.100 -0.238 0.000 0.776 565 P CB 1.527 32.721 31.700 -0.844 0.000 0.889 566 A N 4.084 126.789 122.820 -0.190 0.000 2.679 566 A HA 0.390 3.737 4.320 -1.621 0.000 0.288 566 A C -0.541 176.781 177.584 -0.436 0.000 1.160 566 A CA -0.579 51.280 52.037 -0.298 0.000 0.763 566 A CB 0.648 19.500 19.000 -0.246 0.000 1.270 566 A HN 0.282 nan 8.150 nan 0.000 0.417 567 V N 2.716 122.188 119.914 -0.736 0.000 2.508 567 V HA 0.300 3.448 4.120 -1.621 0.000 0.281 567 V C 1.238 176.863 176.094 -0.781 0.000 1.041 567 V CA 1.117 62.946 62.300 -0.786 0.000 1.016 567 V CB 1.203 32.401 31.823 -1.041 0.000 0.984 567 V HN 1.097 nan 8.190 nan 0.000 0.478 568 S N 1.880 117.333 115.700 -0.412 0.000 2.701 568 S HA 0.060 3.557 4.470 -1.621 0.000 0.242 568 S C 0.749 175.280 174.600 -0.117 0.000 1.025 568 S CA 0.071 58.123 58.200 -0.247 0.000 1.016 568 S CB -0.403 62.689 63.200 -0.180 0.000 0.977 568 S HN 0.917 nan 8.310 nan 0.000 0.546 569 N N 0.349 118.980 118.700 -0.115 0.000 2.204 569 N HA 0.316 4.083 4.740 -1.621 0.000 0.219 569 N C 0.197 175.717 175.510 0.016 0.000 1.151 569 N CA -0.512 52.514 53.050 -0.040 0.000 0.867 569 N CB 0.163 38.618 38.487 -0.054 0.000 1.043 569 N HN 0.261 nan 8.380 nan 0.000 0.516 570 M N 0.995 120.622 119.600 0.045 0.000 2.369 570 M HA 0.363 3.870 4.480 -1.621 0.000 0.291 570 M C -0.632 175.778 176.300 0.185 0.000 1.178 570 M CA -0.846 54.526 55.300 0.119 0.000 0.996 570 M CB 2.030 34.722 32.600 0.153 0.000 1.472 570 M HN 0.089 nan 8.290 nan 0.000 0.496 571 L N 2.036 123.371 121.223 0.188 0.000 2.322 571 L HA 0.520 3.887 4.340 -1.621 0.000 0.281 571 L C -1.483 175.529 176.870 0.237 0.000 1.014 571 L CA -0.966 53.987 54.840 0.188 0.000 0.815 571 L CB 1.382 43.501 42.059 0.099 0.000 1.247 571 L HN 0.527 nan 8.230 nan 0.000 0.421 572 L N 5.022 126.402 121.223 0.261 0.000 2.272 572 L HA 0.438 3.805 4.340 -1.621 0.000 0.289 572 L C -0.485 176.458 176.870 0.123 0.000 1.032 572 L CA 0.247 55.156 54.840 0.115 0.000 0.810 572 L CB 1.316 43.450 42.059 0.125 0.000 1.205 572 L HN 0.680 nan 8.230 nan 0.000 0.422 573 E N 5.846 126.026 120.200 -0.034 0.000 2.129 573 E HA 0.486 3.863 4.350 -1.621 0.000 0.268 573 E C -1.454 175.094 176.600 -0.086 0.000 0.900 573 E CA -0.474 55.909 56.400 -0.029 0.000 0.755 573 E CB 0.946 30.615 29.700 -0.052 0.000 1.117 573 E HN 0.705 nan 8.360 nan 0.000 0.410 574 I N 3.203 123.732 120.570 -0.069 0.000 2.466 574 I HA 0.324 3.521 4.170 -1.621 0.000 0.289 574 I C 0.783 176.678 176.117 -0.369 0.000 1.026 574 I CA -0.620 60.501 61.300 -0.298 0.000 1.078 574 I CB 2.068 39.870 38.000 -0.330 0.000 1.249 574 I HN 0.848 nan 8.210 nan 0.000 0.429 575 G N 4.222 112.757 108.800 -0.442 0.000 2.341 575 G HA2 -0.133 2.854 3.960 -1.621 0.000 0.292 575 G HA3 -0.133 2.854 3.960 -1.621 0.000 0.292 575 G C 1.048 175.993 174.900 0.074 0.000 1.021 575 G CA 0.779 45.819 45.100 -0.099 0.000 0.905 575 G HN 1.582 nan 8.290 nan 0.000 0.508 576 G N -2.048 106.753 108.800 0.002 0.000 2.212 576 G HA2 -0.268 2.719 3.960 -1.621 0.000 0.266 576 G HA3 -0.268 2.719 3.960 -1.621 0.000 0.266 576 G C 0.514 175.380 174.900 -0.057 0.000 0.978 576 G CA 0.683 45.791 45.100 0.014 0.000 0.632 576 G HN 1.347 nan 8.290 nan 0.000 0.537 577 L N 0.695 121.827 121.223 -0.153 0.000 2.350 577 L HA 0.546 3.913 4.340 -1.621 0.000 0.275 577 L C 0.313 176.941 176.870 -0.404 0.000 1.099 577 L CA -0.475 54.155 54.840 -0.350 0.000 0.808 577 L CB 1.036 42.769 42.059 -0.542 0.000 1.149 577 L HN 0.150 nan 8.230 nan 0.000 0.442 578 E N 3.078 122.975 120.200 -0.505 0.000 2.155 578 E HA 0.347 3.724 4.350 -1.621 0.000 0.264 578 E C -1.467 174.848 176.600 -0.475 0.000 0.886 578 E CA -0.367 55.838 56.400 -0.326 0.000 0.752 578 E CB 1.614 31.215 29.700 -0.164 0.000 1.133 578 E HN 0.300 nan 8.360 nan 0.000 0.414 579 F N 1.814 121.754 119.950 -0.017 0.000 2.307 579 F HA 0.092 3.645 4.527 -1.624 0.000 0.369 579 F C 1.478 177.326 175.800 0.079 0.000 1.076 579 F CA -0.518 57.494 58.000 0.020 0.000 1.149 579 F CB 1.149 40.146 39.000 -0.004 0.000 1.410 579 F HN 0.395 nan 8.300 nan 0.000 0.481 580 S N 1.080 116.900 115.700 0.200 0.000 2.515 580 S HA 0.278 3.775 4.470 -1.621 0.000 0.231 580 S C 0.760 175.485 174.600 0.207 0.000 0.987 580 S CA 0.260 58.561 58.200 0.168 0.000 0.936 580 S CB 0.090 63.361 63.200 0.118 0.000 0.766 580 S HN 0.486 nan 8.310 nan 0.000 0.528 581 A N 0.947 123.942 122.820 0.291 0.000 2.522 581 A HA 0.582 3.930 4.320 -1.621 0.000 0.285 581 A C -0.185 177.647 177.584 0.414 0.000 1.198 581 A CA -0.657 51.576 52.037 0.327 0.000 0.742 581 A CB 0.260 19.452 19.000 0.321 0.000 1.176 581 A HN 0.970 nan 8.150 nan 0.000 0.444 582 C N 0.739 120.229 119.300 0.317 0.000 3.327 582 C HA 0.492 3.979 4.460 -1.621 0.000 0.192 582 C C -2.726 172.409 174.990 0.242 0.000 1.603 582 C CA -1.833 57.347 59.018 0.270 0.000 1.222 582 C CB -0.308 27.616 27.740 0.308 0.000 1.981 582 C HN 0.558 nan 8.230 nan 0.000 0.563 583 P HA 0.305 nan 4.420 nan 0.000 0.265 583 P C -0.594 176.725 177.300 0.030 0.000 1.193 583 P CA 0.993 64.057 63.100 -0.060 0.000 0.765 583 P CB 0.414 32.048 31.700 -0.111 0.000 0.823 584 F N -0.369 119.499 119.950 -0.137 0.000 2.613 584 F HA 0.789 4.344 4.527 -1.619 0.000 0.314 584 F C -0.721 174.987 175.800 -0.153 0.000 1.075 584 F CA -1.186 56.751 58.000 -0.105 0.000 0.945 584 F CB 1.619 40.425 39.000 -0.323 0.000 1.310 584 F HN 0.410 nan 8.300 nan 0.000 0.467 585 S N 0.102 115.885 115.700 0.138 0.000 2.550 585 S HA 0.917 4.414 4.470 -1.621 0.000 0.270 585 S C -0.787 173.778 174.600 -0.059 0.000 1.145 585 S CA -0.156 58.057 58.200 0.020 0.000 0.852 585 S CB 1.443 64.736 63.200 0.155 0.000 1.119 585 S HN 1.490 nan 8.310 nan 0.000 0.465 586 G N 0.229 108.945 108.800 -0.140 0.000 3.359 586 G HA2 0.756 3.743 3.960 -1.621 0.000 0.187 586 G HA3 0.756 3.743 3.960 -1.621 0.000 0.187 586 G C -1.356 173.565 174.900 0.036 0.000 1.294 586 G CA -0.253 44.710 45.100 -0.227 0.000 0.769 586 G HN 1.192 nan 8.290 nan 0.000 0.733 587 W N -1.639 119.668 121.300 0.011 0.000 3.075 587 W HA 0.790 4.476 4.660 -1.623 0.000 0.334 587 W C -1.597 174.930 176.519 0.013 0.000 1.243 587 W CA -2.187 55.178 57.345 0.034 0.000 1.170 587 W CB 0.456 29.980 29.460 0.107 0.000 1.452 587 W HN 0.439 nan 8.180 nan 0.000 0.572 588 Y N 2.599 123.097 120.300 0.329 0.000 2.336 588 Y HA 0.279 3.856 4.550 -1.622 0.000 0.331 588 Y C 0.978 176.946 175.900 0.113 0.000 1.211 588 Y CA -0.658 57.506 58.100 0.107 0.000 1.346 588 Y CB 1.279 39.703 38.460 -0.061 0.000 1.271 588 Y HN 0.421 nan 8.280 nan 0.000 0.538 589 M N 2.422 122.173 119.600 0.252 0.000 2.264 589 M HA 0.310 3.817 4.480 -1.621 0.000 0.352 589 M C 1.099 177.405 176.300 0.010 0.000 1.173 589 M CA 0.032 55.413 55.300 0.135 0.000 1.075 589 M CB 1.241 33.898 32.600 0.095 0.000 1.621 589 M HN 0.889 nan 8.290 nan 0.000 0.457 590 G N 1.351 110.112 108.800 -0.065 0.000 2.469 590 G HA2 -0.265 2.722 3.960 -1.621 0.000 0.220 590 G HA3 -0.265 2.722 3.960 -1.621 0.000 0.220 590 G C 1.178 175.926 174.900 -0.252 0.000 1.136 590 G CA 1.587 46.559 45.100 -0.213 0.000 0.759 590 G HN 0.893 nan 8.290 nan 0.000 0.562 591 T N -0.680 113.767 114.554 -0.178 0.000 2.881 591 T HA -0.065 3.312 4.350 -1.621 0.000 0.270 591 T C 1.936 176.480 174.700 -0.261 0.000 1.068 591 T CA 1.631 63.584 62.100 -0.244 0.000 1.131 591 T CB -0.302 68.384 68.868 -0.302 0.000 0.871 591 T HN 0.522 nan 8.240 nan 0.000 0.479 592 E N 0.982 121.050 120.200 -0.220 0.000 2.085 592 E HA -0.061 3.316 4.350 -1.621 0.000 0.194 592 E C 2.116 178.453 176.600 -0.438 0.000 0.994 592 E CA 1.490 57.769 56.400 -0.201 0.000 0.801 592 E CB -0.345 29.376 29.700 0.035 0.000 0.743 592 E HN 0.602 nan 8.360 nan 0.000 0.453 593 I N 0.203 120.340 120.570 -0.723 0.000 2.270 593 I HA -0.068 3.129 4.170 -1.621 0.000 0.239 593 I C 2.573 178.133 176.117 -0.929 0.000 1.080 593 I CA 1.051 61.648 61.300 -1.171 0.000 1.383 593 I CB -0.451 36.688 38.000 -1.436 0.000 1.097 593 I HN 0.110 nan 8.210 nan 0.000 0.420 594 G N 0.350 108.816 108.800 -0.558 0.000 2.421 594 G HA2 -0.072 2.915 3.960 -1.621 0.000 0.217 594 G HA3 -0.072 2.915 3.960 -1.621 0.000 0.217 594 G C 1.599 176.427 174.900 -0.120 0.000 1.143 594 G CA 0.705 45.664 45.100 -0.235 0.000 0.784 594 G HN 0.218 nan 8.290 nan 0.000 0.541 595 V N 0.162 119.962 119.914 -0.192 0.000 2.436 595 V HA 0.088 3.236 4.120 -1.621 0.000 0.240 595 V C 2.754 178.778 176.094 -0.118 0.000 1.040 595 V CA 0.925 63.144 62.300 -0.134 0.000 1.052 595 V CB -0.206 31.512 31.823 -0.175 0.000 0.707 595 V HN 0.108 nan 8.190 nan 0.000 0.469 596 R N 0.416 120.812 120.500 -0.173 0.000 2.055 596 R HA 0.029 3.396 4.340 -1.621 0.000 0.221 596 R C 1.971 178.215 176.300 -0.094 0.000 1.154 596 R CA 1.242 57.266 56.100 -0.126 0.000 0.975 596 R CB -1.014 29.205 30.300 -0.135 0.000 0.869 596 R HN 0.450 nan 8.270 nan 0.000 0.437 597 D N 0.196 120.452 120.400 -0.240 0.000 2.144 597 D HA -0.145 3.522 4.640 -1.621 0.000 0.199 597 D C 1.946 178.269 176.300 0.039 0.000 0.984 597 D CA 1.285 55.145 54.000 -0.234 0.000 0.834 597 D CB -0.117 40.116 40.800 -0.945 0.000 0.955 597 D HN 0.354 nan 8.370 nan 0.000 0.465 598 Y N -0.564 119.658 120.300 -0.130 0.000 2.397 598 Y HA -0.010 3.567 4.550 -1.622 0.000 0.292 598 Y C 2.297 178.243 175.900 0.076 0.000 1.115 598 Y CA 0.137 58.239 58.100 0.003 0.000 1.208 598 Y CB 0.470 38.906 38.460 -0.040 0.000 1.046 598 Y HN 0.018 nan 8.280 nan 0.000 0.552 599 C N -1.011 118.395 119.300 0.178 0.000 3.188 599 C HA 0.154 3.641 4.460 -1.621 0.000 0.315 599 C C 0.169 175.201 174.990 0.070 0.000 1.285 599 C CA -0.697 58.390 59.018 0.115 0.000 1.729 599 C CB -0.571 27.212 27.740 0.073 0.000 2.257 599 C HN 0.235 nan 8.230 nan 0.000 0.645 600 D N 2.021 122.454 120.400 0.055 0.000 2.583 600 D HA -0.036 3.631 4.640 -1.621 0.000 0.232 600 D C 1.110 177.445 176.300 0.058 0.000 1.128 600 D CA 0.526 54.548 54.000 0.037 0.000 0.859 600 D CB 0.366 41.186 40.800 0.033 0.000 1.169 600 D HN 0.278 nan 8.370 nan 0.000 0.481 601 N N 0.640 119.363 118.700 0.038 0.000 2.149 601 N HA -0.161 3.606 4.740 -1.621 0.000 0.188 601 N C 1.223 176.757 175.510 0.041 0.000 1.019 601 N CA 1.091 54.167 53.050 0.043 0.000 0.857 601 N CB 0.071 38.576 38.487 0.031 0.000 0.997 601 N HN 0.389 nan 8.380 nan 0.000 0.426 602 S N -0.012 115.709 115.700 0.036 0.000 2.671 602 S HA 0.219 3.716 4.470 -1.621 0.000 0.220 602 S C 0.981 175.602 174.600 0.035 0.000 0.951 602 S CA -0.334 57.885 58.200 0.031 0.000 0.932 602 S CB 0.487 63.705 63.200 0.029 0.000 0.777 602 S HN 0.064 nan 8.310 nan 0.000 0.508 603 R N 0.086 120.621 120.500 0.060 0.000 3.006 603 R HA 0.392 3.760 4.340 -1.621 0.000 0.150 603 R C 0.705 177.047 176.300 0.070 0.000 1.285 603 R CA -0.579 55.575 56.100 0.090 0.000 0.813 603 R CB -1.006 29.401 30.300 0.179 0.000 1.582 603 R HN 0.287 nan 8.270 nan 0.000 0.441 604 Y N 1.658 122.071 120.300 0.189 0.000 2.421 604 Y HA -0.068 3.509 4.550 -1.623 0.000 0.292 604 Y C 0.782 176.754 175.900 0.120 0.000 1.136 604 Y CA 1.358 59.569 58.100 0.185 0.000 1.255 604 Y CB -0.230 38.418 38.460 0.312 0.000 0.991 604 Y HN 0.566 nan 8.280 nan 0.000 0.552 605 N N 0.935 119.772 118.700 0.229 0.000 2.688 605 N HA -0.223 3.544 4.740 -1.621 0.000 0.258 605 N C 0.418 176.010 175.510 0.136 0.000 1.016 605 N CA 0.392 53.528 53.050 0.144 0.000 0.747 605 N CB -1.036 37.507 38.487 0.093 0.000 0.895 605 N HN 0.647 nan 8.380 nan 0.000 0.543 606 I N -2.652 118.006 120.570 0.146 0.000 3.883 606 I HA 0.090 3.287 4.170 -1.621 0.000 0.326 606 I C 1.717 177.899 176.117 0.109 0.000 1.283 606 I CA -0.396 60.964 61.300 0.101 0.000 1.161 606 I CB 0.002 38.024 38.000 0.036 0.000 1.012 606 I HN 0.184 nan 8.210 nan 0.000 0.421 607 L N 1.153 122.464 121.223 0.147 0.000 2.012 607 L HA -0.163 3.204 4.340 -1.621 0.000 0.210 607 L C 2.709 179.749 176.870 0.283 0.000 1.073 607 L CA 1.727 56.689 54.840 0.203 0.000 0.748 607 L CB -0.535 41.622 42.059 0.163 0.000 0.891 607 L HN 0.337 nan 8.230 nan 0.000 0.431 608 E N -0.038 120.315 120.200 0.256 0.000 2.049 608 E HA -0.289 3.088 4.350 -1.621 0.000 0.198 608 E C 2.040 178.659 176.600 0.031 0.000 1.007 608 E CA 1.863 58.359 56.400 0.160 0.000 0.809 608 E CB -0.132 29.623 29.700 0.091 0.000 0.749 608 E HN 0.581 nan 8.360 nan 0.000 0.450 609 E N 0.181 120.392 120.200 0.018 0.000 2.051 609 E HA -0.165 3.212 4.350 -1.621 0.000 0.192 609 E C 2.263 178.810 176.600 -0.088 0.000 0.991 609 E CA 1.277 57.645 56.400 -0.053 0.000 0.799 609 E CB -0.032 29.640 29.700 -0.047 0.000 0.748 609 E HN 0.061 nan 8.360 nan 0.000 0.449 610 V N 1.398 121.311 119.914 -0.002 0.000 2.358 610 V HA -0.259 2.888 4.120 -1.621 0.000 0.246 610 V C 2.337 178.441 176.094 0.018 0.000 1.047 610 V CA 1.800 64.130 62.300 0.051 0.000 1.035 610 V CB -0.739 31.211 31.823 0.211 0.000 0.658 610 V HN 0.330 nan 8.190 nan 0.000 0.452 611 A N -0.401 122.473 122.820 0.089 0.000 1.908 611 A HA -0.260 3.088 4.320 -1.621 0.000 0.218 611 A C 2.304 179.811 177.584 -0.127 0.000 1.181 611 A CA 2.048 54.135 52.037 0.082 0.000 0.627 611 A CB -0.467 18.685 19.000 0.254 0.000 0.818 611 A HN 0.527 nan 8.150 nan 0.000 0.445 612 K N -0.550 119.732 120.400 -0.197 0.000 2.097 612 K HA -0.118 3.229 4.320 -1.621 0.000 0.206 612 K C 1.991 178.370 176.600 -0.368 0.000 1.049 612 K CA 1.316 57.443 56.287 -0.266 0.000 0.933 612 K CB -0.086 32.273 32.500 -0.235 0.000 0.717 612 K HN 0.218 nan 8.250 nan 0.000 0.442 613 K N 0.377 120.462 120.400 -0.525 0.000 2.155 613 K HA 0.003 3.350 4.320 -1.621 0.000 0.203 613 K C 1.829 177.837 176.600 -0.987 0.000 1.052 613 K CA 1.040 56.734 56.287 -0.989 0.000 0.948 613 K CB 0.035 31.547 32.500 -1.647 0.000 0.728 613 K HN 0.224 nan 8.250 nan 0.000 0.448 614 M N 0.251 119.517 119.600 -0.557 0.000 2.619 614 M HA -0.074 3.433 4.480 -1.621 0.000 0.251 614 M C -0.265 175.912 176.300 -0.205 0.000 1.106 614 M CA 0.377 55.503 55.300 -0.290 0.000 1.086 614 M CB -0.161 32.398 32.600 -0.070 0.000 1.465 614 M HN 0.013 nan 8.290 nan 0.000 0.506 615 D N 1.608 121.863 120.400 -0.241 0.000 2.708 615 D HA -0.159 3.508 4.640 -1.621 0.000 0.236 615 D C -0.721 175.511 176.300 -0.112 0.000 1.146 615 D CA 0.481 54.375 54.000 -0.177 0.000 0.662 615 D CB -0.847 39.860 40.800 -0.155 0.000 1.059 615 D HN 0.295 nan 8.370 nan 0.000 0.428 616 L N -0.277 120.890 121.223 -0.094 0.000 2.466 616 L HA 0.294 3.662 4.340 -1.621 0.000 0.257 616 L C 1.002 177.808 176.870 -0.106 0.000 1.189 616 L CA -0.518 54.302 54.840 -0.033 0.000 0.813 616 L CB 0.394 42.503 42.059 0.084 0.000 1.118 616 L HN -0.004 nan 8.230 nan 0.000 0.471 617 D N 1.011 121.380 120.400 -0.051 0.000 2.374 617 D HA 0.184 3.851 4.640 -1.621 0.000 0.240 617 D C 0.453 176.626 176.300 -0.211 0.000 1.229 617 D CA 0.233 54.174 54.000 -0.097 0.000 0.895 617 D CB 0.696 41.486 40.800 -0.018 0.000 1.046 617 D HN 0.327 nan 8.370 nan 0.000 0.498 618 M N 2.495 121.816 119.600 -0.466 0.000 2.494 618 M HA 0.144 3.651 4.480 -1.621 0.000 0.232 618 M C 1.698 177.752 176.300 -0.410 0.000 1.137 618 M CA -0.063 54.665 55.300 -0.953 0.000 1.012 618 M CB 0.404 32.294 32.600 -1.183 0.000 1.567 618 M HN 0.271 nan 8.290 nan 0.000 0.486 619 R N 0.811 121.206 120.500 -0.174 0.000 2.092 619 R HA 0.045 3.412 4.340 -1.621 0.000 0.231 619 R C 0.388 176.712 176.300 0.040 0.000 1.119 619 R CA 0.993 57.057 56.100 -0.060 0.000 0.970 619 R CB 0.210 30.485 30.300 -0.042 0.000 0.864 619 R HN 0.252 nan 8.270 nan 0.000 0.440 620 K N -0.665 119.802 120.400 0.111 0.000 2.422 620 K HA 0.110 3.457 4.320 -1.621 0.000 0.251 620 K C 0.718 177.480 176.600 0.270 0.000 0.933 620 K CA -0.168 56.215 56.287 0.160 0.000 0.798 620 K CB 2.104 34.662 32.500 0.097 0.000 1.238 620 K HN -0.043 nan 8.250 nan 0.000 0.428 621 T N -2.256 112.423 114.554 0.209 0.000 2.803 621 T HA -0.187 3.190 4.350 -1.621 0.000 0.269 621 T C 1.635 176.377 174.700 0.069 0.000 1.052 621 T CA 1.897 64.074 62.100 0.129 0.000 1.136 621 T CB -0.260 68.637 68.868 0.047 0.000 0.864 621 T HN 0.540 nan 8.240 nan 0.000 0.467 622 S N 1.842 117.591 115.700 0.082 0.000 2.555 622 S HA -0.013 3.484 4.470 -1.621 0.000 0.230 622 S C 2.093 176.737 174.600 0.073 0.000 0.978 622 S CA 0.658 58.891 58.200 0.056 0.000 0.934 622 S CB -0.752 62.475 63.200 0.046 0.000 0.766 622 S HN 0.771 nan 8.310 nan 0.000 0.533 623 S N 1.985 117.763 115.700 0.129 0.000 2.555 623 S HA 0.152 3.649 4.470 -1.621 0.000 0.230 623 S C 0.982 175.656 174.600 0.125 0.000 0.978 623 S CA 0.238 58.524 58.200 0.143 0.000 0.934 623 S CB -1.092 62.233 63.200 0.207 0.000 0.766 623 S HN 0.655 nan 8.310 nan 0.000 0.533 624 L N 0.763 122.022 121.223 0.060 0.000 3.737 624 L HA -0.187 3.180 4.340 -1.621 0.000 0.418 624 L C 1.671 178.538 176.870 -0.005 0.000 1.216 624 L CA 0.708 55.530 54.840 -0.031 0.000 0.915 624 L CB -2.571 39.482 42.059 -0.011 0.000 1.834 624 L HN 0.737 nan 8.230 nan 0.000 0.943 625 W N 0.141 121.456 121.300 0.024 0.000 2.363 625 W HA -0.146 3.541 4.660 -1.622 0.000 0.296 625 W C 1.763 178.304 176.519 0.036 0.000 1.212 625 W CA 1.339 58.700 57.345 0.027 0.000 1.260 625 W CB -0.703 28.765 29.460 0.013 0.000 1.131 625 W HN 0.266 nan 8.180 nan 0.000 0.530 626 K N 1.067 120.925 120.400 -0.903 0.000 2.032 626 K HA -0.185 3.162 4.320 -1.621 0.000 0.209 626 K C 1.544 177.996 176.600 -0.247 0.000 1.048 626 K CA 2.495 58.347 56.287 -0.726 0.000 0.927 626 K CB -0.389 31.573 32.500 -0.896 0.000 0.712 626 K HN 0.078 nan 8.250 nan 0.000 0.441 627 D N 0.347 120.627 120.400 -0.199 0.000 2.117 627 D HA -0.167 3.500 4.640 -1.621 0.000 0.197 627 D C 2.018 178.321 176.300 0.006 0.000 0.987 627 D CA 1.024 54.976 54.000 -0.080 0.000 0.829 627 D CB 0.022 40.782 40.800 -0.067 0.000 0.961 627 D HN 0.182 nan 8.370 nan 0.000 0.460 628 Q N 0.088 119.916 119.800 0.047 0.000 2.016 628 Q HA -0.110 3.257 4.340 -1.621 0.000 0.200 628 Q C 2.180 178.276 176.000 0.161 0.000 0.978 628 Q CA 1.510 57.382 55.803 0.114 0.000 0.833 628 Q CB -0.156 28.669 28.738 0.144 0.000 0.895 628 Q HN 0.291 nan 8.270 nan 0.000 0.427 629 A N 0.444 123.377 122.820 0.188 0.000 1.940 629 A HA -0.204 3.143 4.320 -1.621 0.000 0.219 629 A C 1.980 179.685 177.584 0.202 0.000 1.176 629 A CA 1.379 53.558 52.037 0.238 0.000 0.631 629 A CB -0.793 18.369 19.000 0.271 0.000 0.814 629 A HN 0.477 nan 8.150 nan 0.000 0.446 630 L N 0.037 121.330 121.223 0.118 0.000 2.012 630 L HA -0.149 3.218 4.340 -1.621 0.000 0.210 630 L C 2.409 179.337 176.870 0.096 0.000 1.073 630 L CA 2.157 57.047 54.840 0.084 0.000 0.748 630 L CB -0.590 41.475 42.059 0.010 0.000 0.891 630 L HN 0.169 nan 8.230 nan 0.000 0.431 631 V N -0.050 119.921 119.914 0.096 0.000 2.287 631 V HA -0.273 2.874 4.120 -1.621 0.000 0.248 631 V C 2.678 178.853 176.094 0.135 0.000 1.053 631 V CA 1.946 64.307 62.300 0.101 0.000 1.027 631 V CB -0.823 31.060 31.823 0.101 0.000 0.646 631 V HN 0.480 nan 8.190 nan 0.000 0.447 632 E N 0.038 120.359 120.200 0.202 0.000 2.058 632 E HA -0.188 3.189 4.350 -1.621 0.000 0.194 632 E C 2.175 178.912 176.600 0.228 0.000 0.997 632 E CA 1.484 58.055 56.400 0.285 0.000 0.801 632 E CB -0.418 29.504 29.700 0.371 0.000 0.746 632 E HN 0.588 nan 8.360 nan 0.000 0.450 633 I N 1.757 122.486 120.570 0.265 0.000 2.194 633 I HA -0.295 2.903 4.170 -1.621 0.000 0.246 633 I C 2.132 178.329 176.117 0.133 0.000 1.093 633 I CA 1.046 62.520 61.300 0.290 0.000 1.355 633 I CB -0.318 37.901 38.000 0.365 0.000 1.046 633 I HN 0.082 nan 8.210 nan 0.000 0.413 634 N N 0.638 119.390 118.700 0.086 0.000 2.270 634 N HA -0.045 3.722 4.740 -1.621 0.000 0.181 634 N C 1.984 177.487 175.510 -0.012 0.000 1.016 634 N CA 1.098 54.159 53.050 0.018 0.000 0.870 634 N CB 0.053 38.542 38.487 0.004 0.000 0.979 634 N HN 0.361 nan 8.380 nan 0.000 0.431 635 I N 1.422 121.977 120.570 -0.025 0.000 2.179 635 I HA -0.256 2.941 4.170 -1.621 0.000 0.242 635 I C 2.436 178.426 176.117 -0.211 0.000 1.088 635 I CA 0.897 62.123 61.300 -0.123 0.000 1.357 635 I CB -0.235 37.651 38.000 -0.190 0.000 1.051 635 I HN 0.055 nan 8.210 nan 0.000 0.409 636 A N 0.283 122.936 122.820 -0.278 0.000 1.883 636 A HA -0.171 3.176 4.320 -1.621 0.000 0.217 636 A C 2.426 179.986 177.584 -0.041 0.000 1.186 636 A CA 1.844 53.692 52.037 -0.314 0.000 0.624 636 A CB -1.008 17.571 19.000 -0.701 0.000 0.822 636 A HN 0.241 nan 8.150 nan 0.000 0.444 637 V N 0.090 120.007 119.914 0.004 0.000 2.255 637 V HA -0.292 2.855 4.120 -1.621 0.000 0.247 637 V C 2.607 178.724 176.094 0.039 0.000 1.051 637 V CA 2.188 64.513 62.300 0.042 0.000 1.018 637 V CB -0.809 30.951 31.823 -0.105 0.000 0.641 637 V HN 0.584 nan 8.190 nan 0.000 0.445 638 L N -1.431 119.779 121.223 -0.021 0.000 2.046 638 L HA -0.218 3.150 4.340 -1.621 0.000 0.208 638 L C 2.484 179.403 176.870 0.082 0.000 1.077 638 L CA 2.022 56.864 54.840 0.003 0.000 0.747 638 L CB -0.736 41.320 42.059 -0.006 0.000 0.896 638 L HN 0.426 nan 8.230 nan 0.000 0.432 639 Y N 0.482 120.744 120.300 -0.063 0.000 2.181 639 Y HA -0.249 3.328 4.550 -1.621 0.000 0.288 639 Y C 2.747 178.641 175.900 -0.010 0.000 1.146 639 Y CA 1.698 59.752 58.100 -0.078 0.000 1.164 639 Y CB -0.219 38.126 38.460 -0.191 0.000 0.982 639 Y HN 0.063 nan 8.280 nan 0.000 0.515 640 S N 0.176 115.885 115.700 0.016 0.000 2.356 640 S HA -0.163 3.334 4.470 -1.621 0.000 0.223 640 S C 1.781 176.373 174.600 -0.014 0.000 1.032 640 S CA 1.512 59.695 58.200 -0.028 0.000 1.005 640 S CB -0.759 62.518 63.200 0.129 0.000 0.867 640 S HN 0.430 nan 8.310 nan 0.000 0.449 641 F N 1.992 121.893 119.950 -0.082 0.000 2.102 641 F HA -0.123 3.430 4.527 -1.622 0.000 0.298 641 F C 2.705 178.449 175.800 -0.095 0.000 1.105 641 F CA 1.251 59.218 58.000 -0.055 0.000 1.239 641 F CB -0.743 38.251 39.000 -0.011 0.000 0.991 641 F HN 0.208 nan 8.300 nan 0.000 0.474 642 Q N -0.680 119.161 119.800 0.069 0.000 2.124 642 Q HA -0.163 3.204 4.340 -1.621 0.000 0.202 642 Q C 2.316 178.234 176.000 -0.136 0.000 0.977 642 Q CA 1.823 57.604 55.803 -0.036 0.000 0.850 642 Q CB -0.354 28.358 28.738 -0.042 0.000 0.901 642 Q HN 0.274 nan 8.270 nan 0.000 0.429 643 S N 0.891 116.429 115.700 -0.270 0.000 2.402 643 S HA -0.093 3.404 4.470 -1.621 0.000 0.229 643 S C 0.860 175.344 174.600 -0.193 0.000 1.021 643 S CA 1.028 59.039 58.200 -0.315 0.000 0.974 643 S CB 0.002 62.866 63.200 -0.560 0.000 0.800 643 S HN 0.317 nan 8.310 nan 0.000 0.484 644 D N 0.452 120.751 120.400 -0.169 0.000 2.328 644 D HA 0.173 3.840 4.640 -1.621 0.000 0.221 644 D C 0.217 176.451 176.300 -0.109 0.000 1.072 644 D CA 0.162 54.080 54.000 -0.138 0.000 0.850 644 D CB -0.012 40.686 40.800 -0.170 0.000 0.922 644 D HN 0.019 nan 8.370 nan 0.000 0.516 645 K N -0.284 120.062 120.400 -0.090 0.000 3.096 645 K HA -0.138 3.209 4.320 -1.621 0.000 0.266 645 K C -1.168 175.402 176.600 -0.049 0.000 1.043 645 K CA 0.162 56.410 56.287 -0.064 0.000 0.758 645 K CB -1.558 30.904 32.500 -0.064 0.000 1.260 645 K HN -0.003 nan 8.250 nan 0.000 0.481 646 V N 1.422 121.321 119.914 -0.025 0.000 2.370 646 V HA 0.248 3.396 4.120 -1.621 0.000 0.283 646 V C 0.644 176.828 176.094 0.150 0.000 1.023 646 V CA -0.724 61.593 62.300 0.028 0.000 0.857 646 V CB 1.785 33.551 31.823 -0.095 0.000 0.985 646 V HN 0.330 nan 8.190 nan 0.000 0.443 647 T N 6.589 121.183 114.554 0.067 0.000 2.891 647 T HA 0.274 3.652 4.350 -1.621 0.000 0.296 647 T C -0.240 174.541 174.700 0.135 0.000 1.025 647 T CA 1.072 63.143 62.100 -0.048 0.000 1.149 647 T CB -0.051 68.643 68.868 -0.290 0.000 1.007 647 T HN 0.571 nan 8.240 nan 0.000 0.528 648 I N 2.669 123.267 120.570 0.047 0.000 2.918 648 I HA 0.621 3.818 4.170 -1.621 0.000 0.301 648 I C -1.371 174.793 176.117 0.079 0.000 1.312 648 I CA -0.985 60.381 61.300 0.110 0.000 1.007 648 I CB 1.975 39.964 38.000 -0.018 0.000 1.281 648 I HN 0.429 nan 8.210 nan 0.000 0.440 649 V N 5.261 125.286 119.914 0.184 0.000 2.604 649 V HA 0.478 3.625 4.120 -1.621 0.000 0.305 649 V C -1.024 175.129 176.094 0.099 0.000 1.043 649 V CA -0.292 62.105 62.300 0.162 0.000 0.888 649 V CB 2.168 34.173 31.823 0.302 0.000 0.995 649 V HN 0.879 nan 8.190 nan 0.000 0.429 650 D N 3.805 124.241 120.400 0.059 0.000 2.358 650 D HA 0.165 3.833 4.640 -1.621 0.000 0.244 650 D C 1.247 177.549 176.300 0.003 0.000 1.163 650 D CA 0.083 54.097 54.000 0.024 0.000 0.945 650 D CB 0.458 41.241 40.800 -0.028 0.000 1.152 650 D HN 0.734 nan 8.370 nan 0.000 0.451 651 H N -0.045 118.953 119.070 -0.121 0.000 2.491 651 H HA -0.133 3.450 4.556 -1.621 0.000 0.290 651 H C 0.956 176.185 175.328 -0.166 0.000 1.050 651 H CA 1.223 57.167 56.048 -0.172 0.000 1.309 651 H CB -0.532 29.074 29.762 -0.259 0.000 1.392 651 H HN 0.518 nan 8.280 nan 0.000 0.554 652 H N 0.835 119.728 119.070 -0.294 0.000 2.307 652 H HA -0.071 3.512 4.556 -1.621 0.000 0.303 652 H C 2.501 177.814 175.328 -0.025 0.000 1.073 652 H CA 1.510 57.467 56.048 -0.151 0.000 1.338 652 H CB -0.224 29.414 29.762 -0.207 0.000 1.389 652 H HN 0.416 nan 8.280 nan 0.000 0.503 653 S N 0.606 116.366 115.700 0.100 0.000 2.368 653 S HA -0.097 3.400 4.470 -1.621 0.000 0.224 653 S C 2.405 177.080 174.600 0.125 0.000 1.029 653 S CA 1.108 59.369 58.200 0.101 0.000 0.988 653 S CB -0.269 62.980 63.200 0.082 0.000 0.838 653 S HN 0.448 nan 8.310 nan 0.000 0.462 654 A N 0.989 123.885 122.820 0.125 0.000 1.902 654 A HA -0.058 3.289 4.320 -1.621 0.000 0.217 654 A C 2.506 180.195 177.584 0.176 0.000 1.181 654 A CA 2.337 54.467 52.037 0.156 0.000 0.623 654 A CB -1.625 17.456 19.000 0.135 0.000 0.818 654 A HN 0.794 nan 8.150 nan 0.000 0.443 655 T N -2.397 112.245 114.554 0.147 0.000 2.857 655 T HA -0.106 3.271 4.350 -1.621 0.000 0.266 655 T C 1.749 176.585 174.700 0.227 0.000 1.048 655 T CA 1.322 63.531 62.100 0.182 0.000 1.139 655 T CB -0.344 68.600 68.868 0.126 0.000 0.874 655 T HN 0.564 nan 8.240 nan 0.000 0.455 656 E N 1.560 121.866 120.200 0.177 0.000 2.085 656 E HA -0.202 3.175 4.350 -1.621 0.000 0.194 656 E C 2.440 179.135 176.600 0.159 0.000 0.994 656 E CA 1.694 58.188 56.400 0.156 0.000 0.801 656 E CB -0.193 29.578 29.700 0.119 0.000 0.743 656 E HN 0.774 nan 8.360 nan 0.000 0.453 657 S N -0.016 115.789 115.700 0.175 0.000 2.383 657 S HA -0.168 3.329 4.470 -1.621 0.000 0.227 657 S C 1.902 176.625 174.600 0.205 0.000 1.026 657 S CA 0.873 59.175 58.200 0.169 0.000 0.981 657 S CB -0.672 62.630 63.200 0.170 0.000 0.818 657 S HN 0.395 nan 8.310 nan 0.000 0.472 658 F N 2.504 122.528 119.950 0.125 0.000 2.186 658 F HA 0.060 3.615 4.527 -1.621 0.000 0.299 658 F C 1.966 177.868 175.800 0.170 0.000 1.090 658 F CA 0.848 58.942 58.000 0.157 0.000 1.307 658 F CB -0.236 38.837 39.000 0.121 0.000 1.019 658 F HN 0.089 nan 8.300 nan 0.000 0.489 659 I N 0.744 121.398 120.570 0.141 0.000 2.179 659 I HA -0.304 2.893 4.170 -1.621 0.000 0.242 659 I C 2.449 178.548 176.117 -0.030 0.000 1.088 659 I CA 1.469 62.793 61.300 0.040 0.000 1.357 659 I CB -1.379 36.695 38.000 0.123 0.000 1.051 659 I HN 0.210 nan 8.210 nan 0.000 0.409 660 K N -0.026 120.389 120.400 0.025 0.000 2.063 660 K HA -0.276 3.072 4.320 -1.621 0.000 0.208 660 K C 2.320 178.922 176.600 0.002 0.000 1.048 660 K CA 1.803 58.104 56.287 0.024 0.000 0.928 660 K CB -0.225 32.309 32.500 0.057 0.000 0.713 660 K HN 0.321 nan 8.250 nan 0.000 0.442 661 H N 0.337 119.337 119.070 -0.116 0.000 2.321 661 H HA -0.042 3.542 4.556 -1.621 0.000 0.300 661 H C 2.040 177.238 175.328 -0.217 0.000 1.087 661 H CA 2.150 58.106 56.048 -0.153 0.000 1.319 661 H CB -0.070 29.587 29.762 -0.175 0.000 1.379 661 H HN 0.117 nan 8.280 nan 0.000 0.501 662 M N 0.156 119.473 119.600 -0.472 0.000 2.073 662 M HA -0.207 3.301 4.480 -1.621 0.000 0.258 662 M C 2.195 178.460 176.300 -0.058 0.000 1.070 662 M CA 2.247 57.350 55.300 -0.327 0.000 1.103 662 M CB -0.183 32.272 32.600 -0.242 0.000 1.321 662 M HN 0.458 nan 8.290 nan 0.000 0.405 663 E N -0.000 120.161 120.200 -0.065 0.000 2.085 663 E HA -0.207 3.170 4.350 -1.621 0.000 0.194 663 E C 1.710 178.308 176.600 -0.002 0.000 0.994 663 E CA 1.275 57.671 56.400 -0.007 0.000 0.801 663 E CB -0.272 29.415 29.700 -0.023 0.000 0.743 663 E HN 0.511 nan 8.360 nan 0.000 0.453 664 N N 0.851 119.515 118.700 -0.060 0.000 2.120 664 N HA -0.152 3.615 4.740 -1.621 0.000 0.188 664 N C 1.649 177.104 175.510 -0.092 0.000 1.024 664 N CA 0.927 53.947 53.050 -0.051 0.000 0.852 664 N CB -0.162 38.311 38.487 -0.024 0.000 1.003 664 N HN 0.196 nan 8.380 nan 0.000 0.424 665 E N 0.239 120.304 120.200 -0.224 0.000 2.106 665 E HA -0.123 3.254 4.350 -1.621 0.000 0.192 665 E C 1.906 178.374 176.600 -0.221 0.000 0.984 665 E CA 0.702 56.930 56.400 -0.286 0.000 0.806 665 E CB -0.407 28.993 29.700 -0.500 0.000 0.750 665 E HN 0.488 nan 8.360 nan 0.000 0.458 666 Y N 1.189 121.411 120.300 -0.131 0.000 2.145 666 Y HA -0.187 3.390 4.550 -1.621 0.000 0.286 666 Y C 2.736 178.608 175.900 -0.046 0.000 1.145 666 Y CA 1.841 59.903 58.100 -0.063 0.000 1.148 666 Y CB -0.246 38.186 38.460 -0.047 0.000 0.981 666 Y HN -0.006 nan 8.280 nan 0.000 0.507 667 R N 0.123 120.672 120.500 0.082 0.000 2.073 667 R HA -0.177 3.190 4.340 -1.621 0.000 0.234 667 R C 2.159 178.462 176.300 0.005 0.000 1.134 667 R CA 2.024 58.146 56.100 0.038 0.000 0.952 667 R CB -0.737 29.577 30.300 0.023 0.000 0.850 667 R HN 0.556 nan 8.270 nan 0.000 0.433 668 C N -1.859 117.429 119.300 -0.019 0.000 2.912 668 C HA 0.443 3.930 4.460 -1.621 0.000 0.274 668 C C 2.032 176.996 174.990 -0.043 0.000 1.248 668 C CA -0.448 58.558 59.018 -0.020 0.000 1.694 668 C CB -0.163 27.578 27.740 0.001 0.000 2.024 668 C HN 0.501 nan 8.230 nan 0.000 0.605 669 R N -0.101 120.347 120.500 -0.087 0.000 2.544 669 R HA 0.304 3.672 4.340 -1.621 0.000 0.303 669 R C 1.531 177.750 176.300 -0.135 0.000 0.939 669 R CA 0.847 56.879 56.100 -0.113 0.000 1.102 669 R CB 0.498 30.701 30.300 -0.160 0.000 1.440 669 R HN 0.618 nan 8.270 nan 0.000 0.532 670 G N 0.102 108.820 108.800 -0.136 0.000 2.159 670 G HA2 -0.198 2.789 3.960 -1.621 0.000 0.256 670 G HA3 -0.198 2.789 3.960 -1.621 0.000 0.256 670 G C 0.147 174.863 174.900 -0.307 0.000 0.977 670 G CA 0.182 45.213 45.100 -0.116 0.000 0.652 670 G HN 0.780 nan 8.290 nan 0.000 0.531 671 G N -2.435 105.980 108.800 -0.643 0.000 2.320 671 G HA2 0.539 3.526 3.960 -1.621 0.000 0.297 671 G HA3 0.539 3.526 3.960 -1.621 0.000 0.297 671 G C -0.974 173.470 174.900 -0.760 0.000 1.344 671 G CA 0.344 44.746 45.100 -1.165 0.000 0.851 671 G HN 1.815 nan 8.290 nan 0.000 0.567 672 C N 2.226 121.203 119.300 -0.538 0.000 2.789 672 C HA 0.703 4.190 4.460 -1.621 0.000 0.367 672 C C -2.537 172.367 174.990 -0.142 0.000 1.062 672 C CA -1.218 57.654 59.018 -0.242 0.000 1.297 672 C CB 1.052 28.672 27.740 -0.200 0.000 1.794 672 C HN 0.678 nan 8.230 nan 0.000 0.474 673 P HA 0.438 nan 4.420 nan 0.000 0.271 673 P C -0.709 176.483 177.300 -0.180 0.000 1.220 673 P CA 0.482 63.185 63.100 -0.662 0.000 0.768 673 P CB 1.234 32.376 31.700 -0.930 0.000 0.848 674 A N 2.340 125.122 122.820 -0.062 0.000 2.488 674 A HA 0.399 3.747 4.320 -1.621 0.000 0.295 674 A C -1.221 176.430 177.584 0.111 0.000 1.045 674 A CA -0.532 51.576 52.037 0.119 0.000 0.703 674 A CB 1.252 20.463 19.000 0.351 0.000 1.271 674 A HN 0.441 nan 8.150 nan 0.000 0.400 675 D N 2.069 122.524 120.400 0.093 0.000 2.485 675 D HA 0.148 3.816 4.640 -1.621 0.000 0.229 675 D C 0.829 177.272 176.300 0.239 0.000 1.101 675 D CA -0.534 53.548 54.000 0.137 0.000 0.906 675 D CB 0.226 41.048 40.800 0.036 0.000 1.019 675 D HN 0.602 nan 8.370 nan 0.000 0.516 676 W N 3.835 125.181 121.300 0.077 0.000 2.305 676 W HA -0.287 3.400 4.660 -1.621 0.000 0.308 676 W C 1.583 178.149 176.519 0.079 0.000 1.226 676 W CA 1.270 58.650 57.345 0.059 0.000 1.253 676 W CB 0.066 29.540 29.460 0.022 0.000 1.146 676 W HN 0.282 nan 8.180 nan 0.000 0.507 677 V N -0.394 119.839 119.914 0.533 0.000 2.392 677 V HA -0.320 2.828 4.120 -1.621 0.000 0.249 677 V C 1.559 177.787 176.094 0.222 0.000 1.059 677 V CA 2.150 64.708 62.300 0.429 0.000 1.051 677 V CB -0.929 31.157 31.823 0.438 0.000 0.658 677 V HN 0.319 nan 8.190 nan 0.000 0.455 678 W N -1.423 119.877 121.300 -0.000 0.000 2.630 678 W HA 0.211 3.898 4.660 -1.623 0.000 0.271 678 W C 2.202 178.627 176.519 -0.157 0.000 1.244 678 W CA -0.044 57.267 57.345 -0.056 0.000 1.353 678 W CB -0.221 29.232 29.460 -0.012 0.000 1.080 678 W HN 0.078 nan 8.180 nan 0.000 0.594 679 I N 0.016 120.570 120.570 -0.026 0.000 2.252 679 I HA -0.101 3.096 4.170 -1.621 0.000 0.245 679 I C 0.651 176.577 176.117 -0.318 0.000 1.102 679 I CA 0.877 62.025 61.300 -0.252 0.000 1.385 679 I CB -1.552 36.212 38.000 -0.393 0.000 1.064 679 I HN -0.400 nan 8.210 nan 0.000 0.414 680 V N 3.977 123.610 119.914 -0.468 0.000 2.479 680 V HA 0.066 3.213 4.120 -1.621 0.000 0.281 680 V C -1.899 174.016 176.094 -0.298 0.000 1.031 680 V CA -1.027 60.977 62.300 -0.493 0.000 1.038 680 V CB -0.068 31.201 31.823 -0.924 0.000 0.981 680 V HN 0.128 nan 8.190 nan 0.000 0.478 681 P HA 0.095 nan 4.420 nan 0.000 0.268 681 P C -1.816 175.358 177.300 -0.210 0.000 1.208 681 P CA -0.960 62.020 63.100 -0.200 0.000 0.777 681 P CB 0.087 31.673 31.700 -0.189 0.000 0.875 682 P HA 0.006 nan 4.420 nan 0.000 0.242 682 P C 0.010 177.200 177.300 -0.183 0.000 1.197 682 P CA 1.108 64.094 63.100 -0.190 0.000 0.765 682 P CB 0.038 31.622 31.700 -0.195 0.000 0.936 683 M N -4.430 115.026 119.600 -0.240 0.000 2.550 683 M HA 0.542 4.049 4.480 -1.621 0.000 0.292 683 M C -0.284 175.909 176.300 -0.179 0.000 1.221 683 M CA -0.626 54.549 55.300 -0.209 0.000 0.873 683 M CB 2.110 34.563 32.600 -0.244 0.000 1.727 683 M HN -0.364 nan 8.290 nan 0.000 0.459 684 S N 0.776 116.423 115.700 -0.089 0.000 3.587 684 S HA -0.177 3.320 4.470 -1.621 0.000 0.337 684 S C 1.134 175.710 174.600 -0.040 0.000 1.119 684 S CA 0.827 59.014 58.200 -0.023 0.000 0.976 684 S CB -2.019 61.237 63.200 0.093 0.000 0.922 684 S HN 1.247 nan 8.310 nan 0.000 0.503 685 G N 2.320 111.071 108.800 -0.081 0.000 2.766 685 G HA2 -0.387 2.600 3.960 -1.621 0.000 0.222 685 G HA3 -0.387 2.600 3.960 -1.621 0.000 0.222 685 G C 1.449 176.246 174.900 -0.172 0.000 1.225 685 G CA 1.800 46.863 45.100 -0.062 0.000 0.784 685 G HN 1.382 nan 8.290 nan 0.000 0.631 686 S N 0.571 115.917 115.700 -0.590 0.000 2.561 686 S HA 0.094 3.591 4.470 -1.621 0.000 0.225 686 S C 2.074 176.639 174.600 -0.058 0.000 0.977 686 S CA 0.901 58.589 58.200 -0.853 0.000 0.926 686 S CB -0.316 62.105 63.200 -1.299 0.000 0.769 686 S HN 0.813 nan 8.310 nan 0.000 0.533 687 I N 0.609 121.189 120.570 0.016 0.000 3.812 687 I HA 0.263 3.461 4.170 -1.621 0.000 0.320 687 I C 0.404 176.652 176.117 0.218 0.000 1.276 687 I CA -0.310 61.071 61.300 0.135 0.000 1.164 687 I CB -0.426 37.642 38.000 0.114 0.000 1.009 687 I HN 0.197 nan 8.210 nan 0.000 0.431 688 T N -1.805 112.876 114.554 0.212 0.000 2.895 688 T HA 0.475 3.852 4.350 -1.621 0.000 0.283 688 T C -1.671 173.205 174.700 0.294 0.000 1.014 688 T CA -1.937 60.303 62.100 0.232 0.000 1.037 688 T CB 1.651 70.610 68.868 0.151 0.000 1.006 688 T HN -0.110 nan 8.240 nan 0.000 0.468 689 P HA -0.052 nan 4.420 nan 0.000 0.223 689 P C 1.780 179.289 177.300 0.349 0.000 1.151 689 P CA 0.754 64.047 63.100 0.323 0.000 0.787 689 P CB -0.341 31.494 31.700 0.225 0.000 0.788 690 V N -3.929 116.136 119.914 0.251 0.000 2.759 690 V HA -0.163 2.985 4.120 -1.621 0.000 0.256 690 V C 2.320 178.498 176.094 0.140 0.000 1.080 690 V CA 0.994 63.404 62.300 0.184 0.000 1.101 690 V CB -2.167 29.688 31.823 0.054 0.000 0.698 690 V HN -0.110 nan 8.190 nan 0.000 0.477 691 F N 1.912 121.853 119.950 -0.015 0.000 2.126 691 F HA -0.178 3.377 4.527 -1.622 0.000 0.299 691 F C 2.458 178.381 175.800 0.204 0.000 1.096 691 F CA 2.271 60.268 58.000 -0.005 0.000 1.255 691 F CB -0.240 38.646 39.000 -0.189 0.000 0.997 691 F HN 0.281 nan 8.300 nan 0.000 0.479 692 H N -1.054 118.335 119.070 0.530 0.000 2.539 692 H HA 0.097 3.680 4.556 -1.621 0.000 0.267 692 H C 0.254 175.820 175.328 0.396 0.000 0.982 692 H CA 0.180 56.496 56.048 0.447 0.000 1.146 692 H CB -0.138 29.876 29.762 0.420 0.000 1.382 692 H HN 0.254 nan 8.280 nan 0.000 0.577 693 Q N 2.070 122.142 119.800 0.453 0.000 2.340 693 Q HA 0.146 3.513 4.340 -1.621 0.000 0.259 693 Q C -0.593 175.636 176.000 0.382 0.000 0.964 693 Q CA -0.412 55.609 55.803 0.364 0.000 0.900 693 Q CB 0.715 29.642 28.738 0.315 0.000 1.228 693 Q HN 0.227 nan 8.270 nan 0.000 0.449 694 E N 3.498 123.874 120.200 0.294 0.000 2.413 694 E HA 0.167 3.544 4.350 -1.621 0.000 0.263 694 E C -0.508 176.229 176.600 0.229 0.000 1.015 694 E CA 0.492 57.025 56.400 0.222 0.000 0.916 694 E CB 0.699 30.511 29.700 0.186 0.000 0.947 694 E HN 0.597 nan 8.360 nan 0.000 0.440 695 M N 2.601 122.345 119.600 0.240 0.000 2.446 695 M HA 0.373 3.880 4.480 -1.621 0.000 0.294 695 M C -1.048 175.378 176.300 0.210 0.000 1.158 695 M CA -0.646 54.814 55.300 0.266 0.000 0.899 695 M CB 1.748 34.555 32.600 0.344 0.000 1.687 695 M HN 0.242 nan 8.290 nan 0.000 0.455 696 L N 2.021 123.385 121.223 0.235 0.000 2.307 696 L HA 0.500 3.867 4.340 -1.621 0.000 0.284 696 L C -0.341 176.623 176.870 0.158 0.000 1.023 696 L CA -0.390 54.590 54.840 0.234 0.000 0.810 696 L CB 1.495 43.762 42.059 0.346 0.000 1.231 696 L HN 0.710 nan 8.230 nan 0.000 0.423 697 N N 2.901 121.685 118.700 0.140 0.000 2.424 697 N HA 0.514 4.281 4.740 -1.621 0.000 0.271 697 N C -1.737 173.850 175.510 0.128 0.000 0.985 697 N CA -0.421 52.645 53.050 0.026 0.000 0.921 697 N CB 1.218 39.734 38.487 0.048 0.000 1.149 697 N HN 0.474 nan 8.380 nan 0.000 0.492 698 Y N 0.184 120.511 120.300 0.045 0.000 2.624 698 Y HA 0.487 4.064 4.550 -1.621 0.000 0.334 698 Y C -1.322 174.590 175.900 0.019 0.000 1.155 698 Y CA -1.337 56.784 58.100 0.035 0.000 1.046 698 Y CB 0.841 39.335 38.460 0.056 0.000 1.316 698 Y HN 0.181 nan 8.280 nan 0.000 0.457 699 R N 2.683 123.297 120.500 0.189 0.000 2.265 699 R HA 0.629 3.996 4.340 -1.621 0.000 0.328 699 R C -1.365 175.003 176.300 0.113 0.000 0.969 699 R CA -0.642 55.507 56.100 0.082 0.000 0.832 699 R CB 1.436 31.767 30.300 0.051 0.000 1.139 699 R HN 0.700 nan 8.270 nan 0.000 0.457 700 L N 1.474 122.738 121.223 0.069 0.000 2.330 700 L HA 0.546 3.913 4.340 -1.621 0.000 0.271 700 L C 0.231 177.112 176.870 0.018 0.000 1.013 700 L CA -0.806 54.074 54.840 0.066 0.000 0.816 700 L CB 2.249 44.351 42.059 0.072 0.000 1.287 700 L HN 0.476 nan 8.230 nan 0.000 0.435 701 T N 1.062 115.635 114.554 0.032 0.000 2.888 701 T HA 0.437 3.814 4.350 -1.621 0.000 0.284 701 T C -2.515 172.228 174.700 0.072 0.000 1.017 701 T CA -1.313 60.799 62.100 0.020 0.000 1.022 701 T CB 1.876 70.760 68.868 0.028 0.000 1.013 701 T HN 0.282 nan 8.240 nan 0.000 0.465 702 P HA 0.246 nan 4.420 nan 0.000 0.268 702 P C -0.814 176.392 177.300 -0.156 0.000 1.208 702 P CA -0.263 62.799 63.100 -0.063 0.000 0.777 702 P CB 0.442 32.099 31.700 -0.072 0.000 0.875 703 S N 0.307 115.866 115.700 -0.236 0.000 2.588 703 S HA 0.662 4.159 4.470 -1.621 0.000 0.275 703 S C -1.166 173.188 174.600 -0.411 0.000 1.130 703 S CA -0.842 57.196 58.200 -0.269 0.000 0.855 703 S CB 0.828 63.954 63.200 -0.123 0.000 1.116 703 S HN 0.146 nan 8.310 nan 0.000 0.472 704 F N 1.251 121.126 119.950 -0.124 0.000 2.408 704 F HA 0.588 4.142 4.527 -1.622 0.000 0.344 704 F C 0.874 176.556 175.800 -0.196 0.000 1.112 704 F CA -0.331 57.582 58.000 -0.144 0.000 1.096 704 F CB 1.208 40.089 39.000 -0.197 0.000 1.129 704 F HN 0.463 nan 8.300 nan 0.000 0.486 705 E N 2.207 122.415 120.200 0.013 0.000 2.277 705 E HA 0.274 3.652 4.350 -1.621 0.000 0.266 705 E C -1.173 175.345 176.600 -0.136 0.000 0.901 705 E CA -0.929 55.408 56.400 -0.106 0.000 0.782 705 E CB 1.952 31.642 29.700 -0.017 0.000 1.228 705 E HN 0.461 nan 8.360 nan 0.000 0.424 706 Y N 0.994 121.315 120.300 0.034 0.000 2.357 706 Y HA 0.114 3.690 4.550 -1.623 0.000 0.340 706 Y C 1.129 177.025 175.900 -0.007 0.000 1.260 706 Y CA 0.073 58.180 58.100 0.011 0.000 1.425 706 Y CB 0.784 39.239 38.460 -0.007 0.000 1.326 706 Y HN 0.280 nan 8.280 nan 0.000 0.580 707 Q N 0.934 120.826 119.800 0.155 0.000 2.418 707 Q HA 0.553 3.920 4.340 -1.621 0.000 0.282 707 Q C -3.121 172.846 176.000 -0.056 0.000 1.044 707 Q CA -2.528 53.295 55.803 0.033 0.000 0.813 707 Q CB 1.706 30.447 28.738 0.006 0.000 1.428 707 Q HN 0.294 nan 8.270 nan 0.000 0.402 708 P HA 0.055 nan 4.420 nan 0.000 0.265 708 P C -0.904 176.183 177.300 -0.355 0.000 1.193 708 P CA 0.061 63.041 63.100 -0.199 0.000 0.765 708 P CB 0.307 31.901 31.700 -0.175 0.000 0.823 709 D N 4.722 124.808 120.400 -0.524 0.000 2.586 709 D HA -0.065 3.602 4.640 -1.621 0.000 0.234 709 D C -1.027 174.624 176.300 -1.082 0.000 1.132 709 D CA -0.678 52.718 54.000 -1.007 0.000 0.860 709 D CB 0.292 40.182 40.800 -1.516 0.000 1.159 709 D HN 0.286 nan 8.370 nan 0.000 0.490 710 P HA -0.139 nan 4.420 nan 0.000 0.218 710 P C 1.475 178.276 177.300 -0.833 0.000 1.149 710 P CA 1.087 63.624 63.100 -0.939 0.000 0.817 710 P CB -0.137 30.777 31.700 -1.311 0.000 0.785 711 W N 1.021 121.835 121.300 -0.811 0.000 2.392 711 W HA -0.045 3.639 4.660 -1.627 0.000 0.279 711 W C 1.378 177.883 176.519 -0.023 0.000 1.225 711 W CA 0.667 57.828 57.345 -0.306 0.000 1.233 711 W CB -2.379 27.076 29.460 -0.008 0.000 1.122 711 W HN -0.161 nan 8.180 nan 0.000 0.561 712 N N 0.411 118.982 118.700 -0.215 0.000 2.364 712 N HA -0.090 3.677 4.740 -1.621 0.000 0.183 712 N C 1.135 176.626 175.510 -0.032 0.000 1.022 712 N CA 2.128 55.137 53.050 -0.069 0.000 0.883 712 N CB -0.549 37.822 38.487 -0.193 0.000 0.965 712 N HN 0.390 nan 8.380 nan 0.000 0.438 713 T N -2.266 112.240 114.554 -0.080 0.000 2.954 713 T HA 0.019 3.396 4.350 -1.621 0.000 0.252 713 T C 0.335 175.037 174.700 0.004 0.000 0.983 713 T CA -0.349 61.722 62.100 -0.048 0.000 0.941 713 T CB 0.126 68.936 68.868 -0.096 0.000 1.141 713 T HN 0.173 nan 8.240 nan 0.000 0.500 714 H N 3.562 122.567 119.070 -0.108 0.000 2.929 714 H HA 0.341 3.926 4.556 -1.618 0.000 0.317 714 H C -0.124 175.118 175.328 -0.144 0.000 1.031 714 H CA -0.680 55.273 56.048 -0.158 0.000 1.466 714 H CB 0.338 29.974 29.762 -0.210 0.000 1.482 714 H HN 0.057 nan 8.280 nan 0.000 0.561 715 V N 4.269 123.844 119.914 -0.566 0.000 2.353 715 V HA 0.196 3.343 4.120 -1.621 0.000 0.264 715 V C 0.222 175.894 176.094 -0.704 0.000 1.049 715 V CA -1.115 60.930 62.300 -0.425 0.000 0.896 715 V CB -0.673 31.033 31.823 -0.196 0.000 1.025 715 V HN 0.634 nan 8.190 nan 0.000 0.475 716 W N 0.000 121.082 121.300 -0.364 0.000 2.388 716 W HA 0.000 3.680 4.660 -1.633 0.000 0.303 716 W CA 0.000 57.214 57.345 -0.218 0.000 1.226 716 W CB 0.000 29.441 29.460 -0.032 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535