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 3nlo_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 0.000 176.210 176.300 -0.151 0.000 0.893 299 R CA 0.000 56.005 56.100 -0.159 0.000 0.921 299 R CB 0.000 30.074 30.300 -0.377 0.000 0.687 300 F N 2.862 122.867 119.950 0.092 0.000 2.427 300 F HA 0.407 4.307 4.527 -1.045 0.000 0.352 300 F C 0.218 176.073 175.800 0.093 0.000 1.100 300 F CA -0.198 57.867 58.000 0.110 0.000 1.191 300 F CB 0.675 39.706 39.000 0.052 0.000 1.128 300 F HN -0.133 nan 8.300 nan 0.000 0.533 301 L N 3.825 125.213 121.223 0.275 0.000 2.365 301 L HA 0.497 4.209 4.340 -1.045 0.000 0.273 301 L C -0.571 176.387 176.870 0.147 0.000 1.000 301 L CA -0.994 53.920 54.840 0.125 0.000 0.819 301 L CB 2.129 44.160 42.059 -0.047 0.000 1.284 301 L HN 0.529 nan 8.230 nan 0.000 0.418 302 K N 1.957 122.412 120.400 0.092 0.000 2.130 302 K HA 0.627 4.320 4.320 -1.045 0.000 0.268 302 K C -0.819 175.801 176.600 0.033 0.000 0.983 302 K CA -0.608 55.713 56.287 0.056 0.000 0.893 302 K CB 2.117 34.627 32.500 0.016 0.000 1.066 302 K HN 0.403 nan 8.250 nan 0.000 0.450 303 V N -0.643 119.261 119.914 -0.016 0.000 2.715 303 V HA 0.595 4.088 4.120 -1.045 0.000 0.310 303 V C -0.659 175.368 176.094 -0.112 0.000 1.054 303 V CA -0.909 61.370 62.300 -0.035 0.000 0.928 303 V CB 1.574 33.371 31.823 -0.043 0.000 1.007 303 V HN 0.734 nan 8.190 nan 0.000 0.437 304 K N 2.820 123.158 120.400 -0.103 0.000 2.371 304 K HA 0.449 4.142 4.320 -1.045 0.000 0.251 304 K C -0.981 175.499 176.600 -0.200 0.000 0.934 304 K CA -0.706 55.421 56.287 -0.266 0.000 0.798 304 K CB 1.942 34.116 32.500 -0.543 0.000 1.204 304 K HN 0.901 nan 8.250 nan 0.000 0.427 305 N N 3.452 122.033 118.700 -0.198 0.000 2.426 305 N HA 0.121 4.234 4.740 -1.045 0.000 0.275 305 N C -0.377 175.061 175.510 -0.119 0.000 1.019 305 N CA -0.299 52.737 53.050 -0.024 0.000 0.941 305 N CB 0.558 39.056 38.487 0.019 0.000 1.123 305 N HN 0.664 nan 8.380 nan 0.000 0.486 306 W N 1.764 123.149 121.300 0.141 0.000 3.139 306 W HA 0.232 4.264 4.660 -1.046 0.000 0.260 306 W C 1.955 178.535 176.519 0.101 0.000 1.312 306 W CA -0.282 57.139 57.345 0.126 0.000 1.606 306 W CB 0.413 29.967 29.460 0.155 0.000 1.118 306 W HN 0.642 nan 8.180 nan 0.000 0.675 307 E N -0.220 120.109 120.200 0.215 0.000 2.166 307 E HA -0.096 3.626 4.350 -1.045 0.000 0.192 307 E C 1.790 178.400 176.600 0.017 0.000 0.967 307 E CA 1.659 58.080 56.400 0.035 0.000 0.840 307 E CB 0.228 29.856 29.700 -0.120 0.000 0.795 307 E HN 0.221 nan 8.360 nan 0.000 0.470 308 T N -2.851 111.710 114.554 0.012 0.000 3.010 308 T HA 0.116 3.839 4.350 -1.045 0.000 0.257 308 T C 0.267 174.936 174.700 -0.051 0.000 1.020 308 T CA 0.378 62.468 62.100 -0.017 0.000 0.938 308 T CB 0.345 69.205 68.868 -0.013 0.000 1.049 308 T HN -0.035 nan 8.240 nan 0.000 0.522 309 D N 0.208 120.552 120.400 -0.093 0.000 3.079 309 D HA -0.122 3.891 4.640 -1.045 0.000 0.214 309 D C -0.158 176.049 176.300 -0.155 0.000 1.145 309 D CA 0.516 54.420 54.000 -0.160 0.000 0.958 309 D CB -1.975 38.757 40.800 -0.114 0.000 1.117 309 D HN 0.465 nan 8.370 nan 0.000 0.416 310 V N 0.586 120.424 119.914 -0.125 0.000 2.655 310 V HA 0.233 3.726 4.120 -1.045 0.000 0.300 310 V C 0.906 176.900 176.094 -0.165 0.000 1.044 310 V CA -0.094 62.132 62.300 -0.122 0.000 1.095 310 V CB 1.689 33.457 31.823 -0.091 0.000 0.952 310 V HN -0.025 nan 8.190 nan 0.000 0.485 311 V N 6.919 126.740 119.914 -0.155 0.000 2.407 311 V HA 0.472 3.965 4.120 -1.045 0.000 0.291 311 V C -0.219 175.783 176.094 -0.154 0.000 1.018 311 V CA -0.432 61.770 62.300 -0.163 0.000 0.842 311 V CB 1.483 33.220 31.823 -0.143 0.000 0.996 311 V HN 0.625 nan 8.190 nan 0.000 0.426 312 L N 3.504 124.595 121.223 -0.219 0.000 2.331 312 L HA 0.670 4.383 4.340 -1.045 0.000 0.275 312 L C 0.200 177.030 176.870 -0.068 0.000 1.022 312 L CA -0.424 54.261 54.840 -0.257 0.000 0.812 312 L CB 2.161 43.740 42.059 -0.801 0.000 1.257 312 L HN 0.495 nan 8.230 nan 0.000 0.435 313 T N 0.367 115.004 114.554 0.138 0.000 2.756 313 T HA 0.145 3.867 4.350 -1.045 0.000 0.290 313 T C -0.544 174.403 174.700 0.411 0.000 0.985 313 T CA -0.408 61.823 62.100 0.219 0.000 0.955 313 T CB 0.890 69.822 68.868 0.107 0.000 0.930 313 T HN 0.428 nan 8.240 nan 0.000 0.451 314 D N 2.803 123.463 120.400 0.433 0.000 2.316 314 D HA 0.137 4.150 4.640 -1.045 0.000 0.245 314 D C 0.936 177.416 176.300 0.300 0.000 1.171 314 D CA -0.129 54.102 54.000 0.384 0.000 0.856 314 D CB 1.253 42.306 40.800 0.421 0.000 1.090 314 D HN 0.638 nan 8.370 nan 0.000 0.476 315 T N 1.028 115.657 114.554 0.125 0.000 3.003 315 T HA -0.015 3.708 4.350 -1.045 0.000 0.261 315 T C 1.682 176.236 174.700 -0.244 0.000 1.003 315 T CA -0.299 61.795 62.100 -0.009 0.000 0.917 315 T CB 0.145 69.072 68.868 0.098 0.000 1.084 315 T HN 0.231 nan 8.240 nan 0.000 0.522 316 L N 2.942 124.057 121.223 -0.181 0.000 2.141 316 L HA 0.022 3.735 4.340 -1.045 0.000 0.209 316 L C 2.532 179.170 176.870 -0.386 0.000 1.094 316 L CA 1.758 56.481 54.840 -0.195 0.000 0.763 316 L CB -0.854 41.169 42.059 -0.061 0.000 0.908 316 L HN 0.599 nan 8.230 nan 0.000 0.437 317 H N -1.364 117.298 119.070 -0.680 0.000 2.521 317 H HA -0.088 3.841 4.556 -1.046 0.000 0.286 317 H C 1.799 176.823 175.328 -0.507 0.000 1.034 317 H CA 1.202 56.562 56.048 -1.147 0.000 1.278 317 H CB -0.500 28.472 29.762 -1.316 0.000 1.386 317 H HN 0.421 nan 8.280 nan 0.000 0.567 318 L N 0.443 121.036 121.223 -1.050 0.000 2.478 318 L HA -0.007 3.705 4.340 -1.045 0.000 0.223 318 L C 1.242 177.922 176.870 -0.316 0.000 1.140 318 L CA 0.750 55.229 54.840 -0.602 0.000 0.842 318 L CB -0.006 41.691 42.059 -0.604 0.000 0.953 318 L HN 0.083 nan 8.230 nan 0.000 0.452 319 K N -0.415 119.821 120.400 -0.273 0.000 2.684 319 K HA 0.118 3.811 4.320 -1.045 0.000 0.215 319 K C 0.384 176.937 176.600 -0.078 0.000 1.073 319 K CA -0.153 56.049 56.287 -0.141 0.000 1.197 319 K CB 0.440 32.875 32.500 -0.108 0.000 0.955 319 K HN -0.026 nan 8.250 nan 0.000 0.473 320 S N -0.571 115.074 115.700 -0.090 0.000 2.578 320 S HA 0.244 4.087 4.470 -1.045 0.000 0.283 320 S C 0.663 175.273 174.600 0.018 0.000 1.195 320 S CA -0.394 57.811 58.200 0.007 0.000 1.050 320 S CB 1.490 64.702 63.200 0.020 0.000 1.012 320 S HN 0.209 nan 8.310 nan 0.000 0.511 321 T N 3.498 118.081 114.554 0.049 0.000 3.115 321 T HA 0.369 4.092 4.350 -1.045 0.000 0.256 321 T C 0.409 175.131 174.700 0.036 0.000 0.970 321 T CA -0.026 62.094 62.100 0.033 0.000 1.010 321 T CB -0.240 68.645 68.868 0.028 0.000 1.151 321 T HN 0.539 nan 8.240 nan 0.000 0.479 322 L N 1.554 122.805 121.223 0.046 0.000 2.490 322 L HA 0.529 4.242 4.340 -1.045 0.000 0.245 322 L C 0.128 177.027 176.870 0.049 0.000 1.185 322 L CA -0.608 54.257 54.840 0.040 0.000 0.813 322 L CB 0.444 42.523 42.059 0.033 0.000 1.233 322 L HN 0.143 nan 8.230 nan 0.000 0.489 323 E N -1.125 119.100 120.200 0.043 0.000 2.191 323 E HA 0.180 3.903 4.350 -1.045 0.000 0.274 323 E C 0.098 176.727 176.600 0.048 0.000 0.948 323 E CA -0.163 56.264 56.400 0.045 0.000 0.802 323 E CB 1.730 31.451 29.700 0.035 0.000 1.137 323 E HN 0.677 nan 8.360 nan 0.000 0.397 324 T N -0.567 114.020 114.554 0.054 0.000 3.067 324 T HA 0.138 3.861 4.350 -1.045 0.000 0.261 324 T C 1.444 176.173 174.700 0.048 0.000 1.110 324 T CA 0.494 62.628 62.100 0.056 0.000 1.113 324 T CB 0.044 68.952 68.868 0.067 0.000 0.917 324 T HN 0.789 nan 8.240 nan 0.000 0.499 325 G N 0.336 109.162 108.800 0.043 0.000 2.253 325 G HA2 -0.268 3.065 3.960 -1.045 0.000 0.251 325 G HA3 -0.268 3.065 3.960 -1.045 0.000 0.251 325 G C 0.302 175.226 174.900 0.041 0.000 0.998 325 G CA -0.094 45.030 45.100 0.041 0.000 0.621 325 G HN 0.750 nan 8.290 nan 0.000 0.524 326 C N 1.619 120.944 119.300 0.040 0.000 2.466 326 C HA 0.817 4.650 4.460 -1.045 0.000 0.379 326 C C 1.078 176.086 174.990 0.029 0.000 1.251 326 C CA 0.431 59.470 59.018 0.035 0.000 2.263 326 C CB 0.898 28.657 27.740 0.032 0.000 2.511 326 C HN 0.891 nan 8.230 nan 0.000 0.573 327 T N -0.762 113.810 114.554 0.029 0.000 2.940 327 T HA 0.361 4.084 4.350 -1.045 0.000 0.288 327 T C 0.605 175.288 174.700 -0.029 0.000 1.045 327 T CA -0.432 61.679 62.100 0.019 0.000 1.018 327 T CB 1.068 69.976 68.868 0.067 0.000 1.151 327 T HN 0.595 nan 8.240 nan 0.000 0.529 328 E N -0.110 120.024 120.200 -0.110 0.000 2.273 328 E HA -0.129 3.594 4.350 -1.045 0.000 0.198 328 E C 1.488 177.929 176.600 -0.264 0.000 1.002 328 E CA 1.439 57.704 56.400 -0.224 0.000 0.828 328 E CB -0.197 29.305 29.700 -0.330 0.000 0.747 328 E HN 0.598 nan 8.360 nan 0.000 0.491 329 H N -1.433 117.639 119.070 0.004 0.000 2.592 329 H HA 0.383 4.312 4.556 -1.045 0.000 0.265 329 H C 0.161 175.491 175.328 0.003 0.000 0.955 329 H CA 0.210 56.260 56.048 0.003 0.000 1.175 329 H CB 0.830 30.594 29.762 0.004 0.000 1.433 329 H HN 0.108 nan 8.280 nan 0.000 0.537 330 I N 0.197 120.823 120.570 0.093 0.000 2.743 330 I HA 0.184 3.727 4.170 -1.045 0.000 0.292 330 I C -1.435 174.704 176.117 0.038 0.000 1.343 330 I CA -0.666 60.672 61.300 0.062 0.000 1.038 330 I CB 1.833 39.873 38.000 0.066 0.000 1.311 330 I HN -0.016 nan 8.210 nan 0.000 0.426 331 C N 7.635 126.951 119.300 0.027 0.000 2.329 331 C HA 0.601 4.434 4.460 -1.045 0.000 0.329 331 C C 0.729 175.738 174.990 0.032 0.000 1.275 331 C CA -0.459 58.573 59.018 0.023 0.000 1.726 331 C CB 0.781 28.526 27.740 0.009 0.000 2.291 331 C HN 0.898 nan 8.230 nan 0.000 0.514 332 M N 4.462 124.087 119.600 0.041 0.000 2.412 332 M HA 0.194 4.047 4.480 -1.045 0.000 0.315 332 M C 1.915 178.256 176.300 0.068 0.000 1.092 332 M CA 0.165 55.495 55.300 0.051 0.000 0.974 332 M CB 0.207 32.837 32.600 0.049 0.000 1.437 332 M HN 1.011 nan 8.290 nan 0.000 0.524 333 G N 1.451 110.292 108.800 0.069 0.000 2.550 333 G HA2 -0.272 3.061 3.960 -1.045 0.000 0.222 333 G HA3 -0.272 3.061 3.960 -1.045 0.000 0.222 333 G C 1.427 176.415 174.900 0.146 0.000 1.113 333 G CA 1.732 46.892 45.100 0.100 0.000 0.748 333 G HN 0.585 nan 8.290 nan 0.000 0.585 334 S N -0.122 115.652 115.700 0.124 0.000 2.577 334 S HA 0.346 4.189 4.470 -1.045 0.000 0.219 334 S C 0.729 175.419 174.600 0.150 0.000 0.962 334 S CA -0.647 57.645 58.200 0.153 0.000 0.921 334 S CB 0.072 63.336 63.200 0.107 0.000 0.789 334 S HN 0.108 nan 8.310 nan 0.000 0.497 335 I N 2.542 123.187 120.570 0.125 0.000 2.533 335 I HA 0.145 3.688 4.170 -1.045 0.000 0.284 335 I C 1.706 177.909 176.117 0.143 0.000 1.109 335 I CA 0.010 61.374 61.300 0.107 0.000 1.412 335 I CB -0.205 37.836 38.000 0.068 0.000 1.396 335 I HN 0.273 nan 8.210 nan 0.000 0.543 336 M N 4.914 124.599 119.600 0.143 0.000 2.117 336 M HA -0.119 3.734 4.480 -1.045 0.000 0.262 336 M C 0.643 176.941 176.300 -0.003 0.000 1.065 336 M CA 1.920 57.316 55.300 0.161 0.000 1.114 336 M CB -0.041 32.639 32.600 0.132 0.000 1.361 336 M HN 0.437 nan 8.290 nan 0.000 0.408 337 L N 1.132 122.342 121.223 -0.022 0.000 2.470 337 L HA 0.331 4.043 4.340 -1.045 0.000 0.256 337 L C -2.082 174.790 176.870 0.004 0.000 1.357 337 L CA -1.248 53.564 54.840 -0.046 0.000 0.902 337 L CB 0.667 42.657 42.059 -0.115 0.000 1.121 337 L HN -0.020 nan 8.230 nan 0.000 0.507 351 K N 0.270 120.691 120.400 0.035 0.000 2.059 351 K HA -0.208 3.485 4.320 -1.045 0.000 0.212 351 K C 1.589 178.223 176.600 0.057 0.000 1.050 351 K CA 2.320 58.630 56.287 0.037 0.000 0.927 351 K CB -0.463 32.043 32.500 0.010 0.000 0.714 351 K HN 0.658 nan 8.250 nan 0.000 0.447 352 D N 0.126 120.555 120.400 0.048 0.000 2.182 352 D HA -0.146 3.867 4.640 -1.045 0.000 0.201 352 D C 1.809 178.157 176.300 0.079 0.000 0.986 352 D CA 1.278 55.313 54.000 0.058 0.000 0.847 352 D CB 0.266 41.089 40.800 0.038 0.000 0.942 352 D HN 0.261 nan 8.370 nan 0.000 0.467 353 Q N -1.120 118.722 119.800 0.070 0.000 2.390 353 Q HA 0.103 3.816 4.340 -1.045 0.000 0.216 353 Q C 1.655 177.702 176.000 0.079 0.000 0.916 353 Q CA 0.020 55.860 55.803 0.062 0.000 0.911 353 Q CB 0.249 29.012 28.738 0.042 0.000 1.035 353 Q HN 0.203 nan 8.270 nan 0.000 0.541 354 L N 0.323 121.608 121.223 0.103 0.000 2.465 354 L HA -0.001 3.712 4.340 -1.045 0.000 0.224 354 L C 1.470 178.448 176.870 0.180 0.000 1.145 354 L CA 1.168 56.087 54.840 0.132 0.000 0.834 354 L CB -0.237 41.906 42.059 0.139 0.000 0.944 354 L HN 0.099 nan 8.230 nan 0.000 0.451 355 F N 1.290 121.241 119.950 0.001 0.000 2.188 355 F HA 0.191 4.091 4.527 -1.046 0.000 0.289 355 F C -0.676 175.114 175.800 -0.017 0.000 1.082 355 F CA -0.031 57.948 58.000 -0.035 0.000 1.282 355 F CB -1.695 37.278 39.000 -0.044 0.000 1.060 355 F HN 0.072 nan 8.300 nan 0.000 0.493 356 P HA -0.171 nan 4.420 nan 0.000 0.216 356 P C 2.174 179.364 177.300 -0.184 0.000 1.150 356 P CA 1.768 64.687 63.100 -0.303 0.000 0.837 356 P CB -0.255 31.377 31.700 -0.113 0.000 0.786 357 L N -0.840 120.343 121.223 -0.066 0.000 2.042 357 L HA -0.187 3.526 4.340 -1.045 0.000 0.210 357 L C 2.616 179.516 176.870 0.049 0.000 1.076 357 L CA 1.789 56.636 54.840 0.013 0.000 0.749 357 L CB -1.284 40.804 42.059 0.049 0.000 0.893 357 L HN -0.042 nan 8.230 nan 0.000 0.432 358 A N 0.176 122.992 122.820 -0.008 0.000 1.898 358 A HA -0.226 3.467 4.320 -1.045 0.000 0.216 358 A C 2.403 179.979 177.584 -0.013 0.000 1.181 358 A CA 1.819 53.872 52.037 0.027 0.000 0.620 358 A CB -0.405 18.474 19.000 -0.203 0.000 0.819 358 A HN 0.354 nan 8.150 nan 0.000 0.442 359 K N 0.054 120.294 120.400 -0.267 0.000 2.026 359 K HA -0.212 3.481 4.320 -1.045 0.000 0.208 359 K C 2.087 178.655 176.600 -0.053 0.000 1.048 359 K CA 1.724 57.861 56.287 -0.250 0.000 0.929 359 K CB -0.219 31.975 32.500 -0.510 0.000 0.713 359 K HN 0.573 nan 8.250 nan 0.000 0.439 360 E N -0.066 120.119 120.200 -0.025 0.000 2.077 360 E HA -0.219 3.504 4.350 -1.045 0.000 0.193 360 E C 1.921 178.586 176.600 0.109 0.000 0.989 360 E CA 1.126 57.551 56.400 0.042 0.000 0.800 360 E CB -0.238 29.484 29.700 0.037 0.000 0.746 360 E HN 0.429 nan 8.360 nan 0.000 0.452 361 F N 1.457 121.434 119.950 0.045 0.000 2.134 361 F HA -0.114 3.787 4.527 -1.044 0.000 0.299 361 F C 1.998 177.872 175.800 0.124 0.000 1.097 361 F CA 1.253 59.311 58.000 0.096 0.000 1.264 361 F CB -0.181 38.891 39.000 0.119 0.000 1.001 361 F HN -0.021 nan 8.300 nan 0.000 0.479 362 L N -0.141 121.070 121.223 -0.020 0.000 2.109 362 L HA -0.155 3.557 4.340 -1.045 0.000 0.207 362 L C 2.098 178.943 176.870 -0.042 0.000 1.086 362 L CA 1.087 55.920 54.840 -0.012 0.000 0.760 362 L CB -0.876 41.305 42.059 0.202 0.000 0.910 362 L HN 0.039 nan 8.230 nan 0.000 0.437 363 D N 0.331 120.742 120.400 0.019 0.000 2.126 363 D HA -0.275 3.738 4.640 -1.045 0.000 0.190 363 D C 2.240 178.531 176.300 -0.015 0.000 1.001 363 D CA 1.836 55.866 54.000 0.050 0.000 0.841 363 D CB -0.268 40.637 40.800 0.174 0.000 0.949 363 D HN 0.510 nan 8.370 nan 0.000 0.446 364 Q N -0.739 119.014 119.800 -0.079 0.000 2.119 364 Q HA -0.218 3.495 4.340 -1.045 0.000 0.201 364 Q C 2.217 178.039 176.000 -0.296 0.000 0.972 364 Q CA 1.006 56.742 55.803 -0.113 0.000 0.847 364 Q CB -0.683 28.038 28.738 -0.028 0.000 0.903 364 Q HN 0.410 nan 8.270 nan 0.000 0.433 365 Y N 0.919 120.792 120.300 -0.712 0.000 2.070 365 Y HA -0.280 3.644 4.550 -1.044 0.000 0.280 365 Y C 1.707 177.161 175.900 -0.743 0.000 1.148 365 Y CA 1.677 59.108 58.100 -1.115 0.000 1.125 365 Y CB -0.732 36.991 38.460 -1.228 0.000 0.975 365 Y HN 0.093 nan 8.280 nan 0.000 0.492 366 Y N -0.469 119.369 120.300 -0.770 0.000 2.333 366 Y HA -0.193 3.730 4.550 -1.045 0.000 0.290 366 Y C 3.062 178.692 175.900 -0.450 0.000 1.144 366 Y CA 1.749 59.407 58.100 -0.738 0.000 1.228 366 Y CB -0.630 37.336 38.460 -0.824 0.000 0.985 366 Y HN 0.276 nan 8.280 nan 0.000 0.542 367 S N -0.676 114.937 115.700 -0.144 0.000 2.406 367 S HA -0.163 3.680 4.470 -1.045 0.000 0.228 367 S C 2.282 176.797 174.600 -0.142 0.000 1.020 367 S CA 1.236 59.423 58.200 -0.021 0.000 0.965 367 S CB -0.565 62.637 63.200 0.003 0.000 0.798 367 S HN 0.559 nan 8.310 nan 0.000 0.488 368 S N 2.267 117.816 115.700 -0.251 0.000 2.402 368 S HA -0.027 3.816 4.470 -1.045 0.000 0.229 368 S C 1.705 176.176 174.600 -0.215 0.000 1.021 368 S CA 0.985 59.077 58.200 -0.180 0.000 0.974 368 S CB -0.983 62.155 63.200 -0.103 0.000 0.800 368 S HN 0.833 nan 8.310 nan 0.000 0.484 369 I N -1.901 118.429 120.570 -0.401 0.000 3.855 369 I HA 0.385 3.927 4.170 -1.045 0.000 0.327 369 I C -0.169 175.836 176.117 -0.187 0.000 1.359 369 I CA -0.534 60.575 61.300 -0.318 0.000 1.142 369 I CB -0.610 37.099 38.000 -0.484 0.000 1.041 369 I HN 0.036 nan 8.210 nan 0.000 0.403 370 K N 1.791 122.114 120.400 -0.128 0.000 3.071 370 K HA -0.187 3.506 4.320 -1.045 0.000 0.265 370 K C -0.098 176.501 176.600 -0.002 0.000 1.060 370 K CA 0.833 57.094 56.287 -0.043 0.000 0.767 370 K CB -1.620 30.861 32.500 -0.032 0.000 1.241 370 K HN 0.654 nan 8.250 nan 0.000 0.486 371 R N 0.288 120.793 120.500 0.009 0.000 2.690 371 R HA 0.175 3.887 4.340 -1.045 0.000 0.419 371 R C -0.170 176.203 176.300 0.122 0.000 1.090 371 R CA -0.497 55.654 56.100 0.085 0.000 1.064 371 R CB 0.203 30.585 30.300 0.137 0.000 1.391 371 R HN 0.125 nan 8.270 nan 0.000 0.586 372 F N 1.410 121.347 119.950 -0.022 0.000 2.578 372 F HA 0.199 4.098 4.527 -1.046 0.000 0.376 372 F C 1.519 177.384 175.800 0.108 0.000 1.085 372 F CA 1.584 59.583 58.000 -0.001 0.000 1.260 372 F CB 0.740 39.715 39.000 -0.043 0.000 1.095 372 F HN 0.507 nan 8.300 nan 0.000 0.573 373 G N 3.400 111.950 108.800 -0.415 0.000 2.166 373 G HA2 -0.313 3.019 3.960 -1.045 0.000 0.260 373 G HA3 -0.313 3.019 3.960 -1.045 0.000 0.260 373 G C 0.280 175.110 174.900 -0.116 0.000 0.986 373 G CA 0.528 45.465 45.100 -0.272 0.000 0.683 373 G HN 1.155 nan 8.290 nan 0.000 0.527 374 S N -1.230 114.438 115.700 -0.053 0.000 2.681 374 S HA 0.597 4.440 4.470 -1.045 0.000 0.270 374 S C 1.364 175.904 174.600 -0.099 0.000 1.209 374 S CA 0.423 58.601 58.200 -0.037 0.000 0.988 374 S CB 1.846 65.061 63.200 0.023 0.000 1.006 374 S HN 0.403 nan 8.310 nan 0.000 0.558 375 K N 0.412 120.769 120.400 -0.071 0.000 2.025 375 K HA -0.014 3.679 4.320 -1.045 0.000 0.207 375 K C 2.350 178.886 176.600 -0.106 0.000 1.049 375 K CA 1.167 57.399 56.287 -0.092 0.000 0.933 375 K CB -0.986 31.481 32.500 -0.055 0.000 0.714 375 K HN 0.745 nan 8.250 nan 0.000 0.438 376 A N 1.160 123.950 122.820 -0.049 0.000 1.903 376 A HA -0.305 3.388 4.320 -1.045 0.000 0.219 376 A C 2.065 179.501 177.584 -0.247 0.000 1.191 376 A CA 2.133 54.156 52.037 -0.024 0.000 0.638 376 A CB -1.296 17.783 19.000 0.132 0.000 0.823 376 A HN 0.677 nan 8.150 nan 0.000 0.451 377 H N -1.050 117.619 119.070 -0.667 0.000 2.252 377 H HA -0.201 3.727 4.556 -1.045 0.000 0.292 377 H C 2.124 177.075 175.328 -0.628 0.000 1.082 377 H CA 1.952 57.268 56.048 -1.221 0.000 1.229 377 H CB -0.149 29.066 29.762 -0.911 0.000 1.353 377 H HN 0.376 nan 8.280 nan 0.000 0.488 378 M N 0.796 120.079 119.600 -0.528 0.000 2.149 378 M HA -0.163 3.689 4.480 -1.045 0.000 0.261 378 M C 1.674 177.820 176.300 -0.257 0.000 1.064 378 M CA 1.203 56.236 55.300 -0.445 0.000 1.102 378 M CB -0.787 31.617 32.600 -0.326 0.000 1.369 378 M HN 0.379 nan 8.290 nan 0.000 0.408 379 D N -0.234 120.052 120.400 -0.190 0.000 2.149 379 D HA -0.118 3.895 4.640 -1.045 0.000 0.201 379 D C 2.084 178.344 176.300 -0.067 0.000 0.972 379 D CA 1.023 54.962 54.000 -0.102 0.000 0.835 379 D CB -0.262 40.501 40.800 -0.062 0.000 0.966 379 D HN 0.304 nan 8.370 nan 0.000 0.476 380 R N 0.517 120.970 120.500 -0.077 0.000 2.066 380 R HA -0.089 3.624 4.340 -1.045 0.000 0.232 380 R C 2.152 178.452 176.300 -0.001 0.000 1.131 380 R CA 0.828 56.933 56.100 0.008 0.000 0.955 380 R CB -0.759 29.591 30.300 0.084 0.000 0.851 380 R HN 0.039 nan 8.270 nan 0.000 0.432 381 L N 0.989 122.172 121.223 -0.067 0.000 1.989 381 L HA -0.155 3.558 4.340 -1.045 0.000 0.211 381 L C 2.269 179.147 176.870 0.014 0.000 1.071 381 L CA 2.196 57.022 54.840 -0.024 0.000 0.749 381 L CB -0.645 41.337 42.059 -0.128 0.000 0.890 381 L HN 0.302 nan 8.230 nan 0.000 0.431 382 E N -0.631 119.545 120.200 -0.041 0.000 2.110 382 E HA -0.254 3.469 4.350 -1.045 0.000 0.193 382 E C 2.174 178.746 176.600 -0.045 0.000 0.988 382 E CA 1.301 57.673 56.400 -0.046 0.000 0.804 382 E CB -0.135 29.526 29.700 -0.064 0.000 0.745 382 E HN 0.506 nan 8.360 nan 0.000 0.458 383 E N -0.510 119.676 120.200 -0.024 0.000 2.153 383 E HA -0.159 3.564 4.350 -1.045 0.000 0.194 383 E C 1.816 178.414 176.600 -0.004 0.000 0.988 383 E CA 1.176 57.572 56.400 -0.007 0.000 0.811 383 E CB 0.190 29.903 29.700 0.020 0.000 0.746 383 E HN 0.174 nan 8.360 nan 0.000 0.466 384 V N 1.585 121.495 119.914 -0.007 0.000 2.346 384 V HA -0.225 3.268 4.120 -1.045 0.000 0.244 384 V C 2.386 178.417 176.094 -0.105 0.000 1.037 384 V CA 1.787 64.052 62.300 -0.058 0.000 1.029 384 V CB -0.756 30.976 31.823 -0.151 0.000 0.663 384 V HN 0.414 nan 8.190 nan 0.000 0.454 385 N N 0.215 118.843 118.700 -0.119 0.000 2.192 385 N HA -0.237 3.876 4.740 -1.045 0.000 0.188 385 N C 1.855 177.182 175.510 -0.304 0.000 1.013 385 N CA 1.386 54.170 53.050 -0.442 0.000 0.863 385 N CB 0.042 38.175 38.487 -0.589 0.000 0.990 385 N HN 0.517 nan 8.380 nan 0.000 0.430 386 K N 0.554 120.856 120.400 -0.163 0.000 2.076 386 K HA -0.115 3.578 4.320 -1.045 0.000 0.204 386 K C 1.904 178.460 176.600 -0.073 0.000 1.051 386 K CA 0.802 57.022 56.287 -0.112 0.000 0.949 386 K CB -0.100 32.357 32.500 -0.071 0.000 0.726 386 K HN 0.263 nan 8.250 nan 0.000 0.443 387 E N 1.254 121.432 120.200 -0.036 0.000 2.110 387 E HA -0.173 3.550 4.350 -1.045 0.000 0.193 387 E C 1.902 178.507 176.600 0.008 0.000 0.988 387 E CA 0.862 57.269 56.400 0.012 0.000 0.804 387 E CB 0.019 29.763 29.700 0.074 0.000 0.745 387 E HN 0.203 nan 8.360 nan 0.000 0.458 388 I N 1.283 121.836 120.570 -0.028 0.000 2.113 388 I HA -0.233 3.310 4.170 -1.045 0.000 0.238 388 I C 2.242 178.322 176.117 -0.063 0.000 1.070 388 I CA 1.137 62.419 61.300 -0.030 0.000 1.332 388 I CB -0.239 37.715 38.000 -0.078 0.000 1.044 388 I HN 0.078 nan 8.210 nan 0.000 0.402 389 E N 0.464 120.590 120.200 -0.122 0.000 2.501 389 E HA -0.165 3.557 4.350 -1.045 0.000 0.203 389 E C 1.768 178.329 176.600 -0.065 0.000 1.072 389 E CA 1.379 57.711 56.400 -0.112 0.000 0.885 389 E CB 0.014 29.626 29.700 -0.148 0.000 0.813 389 E HN 0.632 nan 8.360 nan 0.000 0.556 390 S N -1.757 113.917 115.700 -0.043 0.000 3.019 390 S HA -0.052 3.791 4.470 -1.045 0.000 0.258 390 S C 1.932 176.525 174.600 -0.011 0.000 1.082 390 S CA 0.428 58.613 58.200 -0.025 0.000 0.836 390 S CB 0.059 63.245 63.200 -0.023 0.000 0.834 390 S HN 0.152 nan 8.310 nan 0.000 0.457 391 T N 0.201 114.755 114.554 -0.000 0.000 3.067 391 T HA 0.232 3.954 4.350 -1.045 0.000 0.257 391 T C 1.350 176.058 174.700 0.013 0.000 1.105 391 T CA 1.437 63.544 62.100 0.010 0.000 1.104 391 T CB -0.179 68.703 68.868 0.023 0.000 0.925 391 T HN 1.568 nan 8.240 nan 0.000 0.498 392 S N -1.217 114.493 115.700 0.017 0.000 2.765 392 S HA -0.183 3.660 4.470 -1.045 0.000 0.266 392 S C 0.282 174.911 174.600 0.049 0.000 1.302 392 S CA 1.388 59.602 58.200 0.023 0.000 1.274 392 S CB -2.644 60.561 63.200 0.008 0.000 1.559 392 S HN 1.245 nan 8.310 nan 0.000 0.658 393 T N -0.246 114.355 114.554 0.077 0.000 2.665 393 T HA 0.681 4.404 4.350 -1.045 0.000 0.303 393 T C -1.484 173.358 174.700 0.237 0.000 1.334 393 T CA 0.042 62.216 62.100 0.124 0.000 1.011 393 T CB 1.302 70.180 68.868 0.017 0.000 1.573 393 T HN 1.536 nan 8.240 nan 0.000 0.492 394 Y N -0.620 119.679 120.300 -0.002 0.000 2.705 394 Y HA 0.816 4.740 4.550 -1.043 0.000 0.332 394 Y C -1.542 174.366 175.900 0.013 0.000 1.221 394 Y CA -1.278 56.831 58.100 0.015 0.000 1.059 394 Y CB 1.060 39.547 38.460 0.045 0.000 1.298 394 Y HN 0.408 nan 8.280 nan 0.000 0.459 395 Q N 2.312 122.111 119.800 -0.001 0.000 2.322 395 Q HA 0.453 4.165 4.340 -1.045 0.000 0.265 395 Q C -0.913 175.084 176.000 -0.006 0.000 0.985 395 Q CA -0.718 55.039 55.803 -0.077 0.000 0.849 395 Q CB 2.722 31.469 28.738 0.014 0.000 1.274 395 Q HN 0.756 nan 8.270 nan 0.000 0.449 396 L N 2.094 123.271 121.223 -0.077 0.000 2.426 396 L HA 0.198 3.911 4.340 -1.045 0.000 0.271 396 L C 0.949 177.838 176.870 0.032 0.000 1.169 396 L CA -0.133 54.721 54.840 0.024 0.000 0.836 396 L CB 0.319 42.365 42.059 -0.021 0.000 1.112 396 L HN 0.236 nan 8.230 nan 0.000 0.465 397 K N 1.598 122.028 120.400 0.049 0.000 2.168 397 K HA 0.045 3.738 4.320 -1.045 0.000 0.258 397 K C 0.308 176.891 176.600 -0.028 0.000 1.010 397 K CA -0.545 55.752 56.287 0.017 0.000 0.929 397 K CB 0.789 33.304 32.500 0.025 0.000 0.998 397 K HN 0.471 nan 8.250 nan 0.000 0.479 398 D N 0.735 121.118 120.400 -0.028 0.000 2.123 398 D HA -0.167 3.845 4.640 -1.045 0.000 0.196 398 D C 1.829 178.098 176.300 -0.052 0.000 0.992 398 D CA 2.066 56.038 54.000 -0.046 0.000 0.833 398 D CB -0.332 40.449 40.800 -0.032 0.000 0.954 398 D HN 0.743 nan 8.370 nan 0.000 0.455 399 T N -1.143 113.379 114.554 -0.053 0.000 2.746 399 T HA -0.155 3.568 4.350 -1.045 0.000 0.267 399 T C 1.783 176.392 174.700 -0.152 0.000 1.039 399 T CA 1.242 63.309 62.100 -0.055 0.000 1.142 399 T CB -0.390 68.468 68.868 -0.018 0.000 0.866 399 T HN 0.214 nan 8.240 nan 0.000 0.444 400 E N 0.888 120.919 120.200 -0.282 0.000 2.072 400 E HA 0.015 3.738 4.350 -1.045 0.000 0.191 400 E C 2.129 178.767 176.600 0.062 0.000 0.985 400 E CA 1.004 57.268 56.400 -0.227 0.000 0.801 400 E CB -0.318 29.338 29.700 -0.074 0.000 0.750 400 E HN 0.353 nan 8.360 nan 0.000 0.452 401 L N 1.057 122.258 121.223 -0.035 0.000 2.017 401 L HA -0.174 3.538 4.340 -1.045 0.000 0.208 401 L C 2.105 178.937 176.870 -0.062 0.000 1.073 401 L CA 1.563 56.341 54.840 -0.103 0.000 0.745 401 L CB -0.200 41.754 42.059 -0.174 0.000 0.894 401 L HN 0.093 nan 8.230 nan 0.000 0.432 402 I N -1.559 119.000 120.570 -0.019 0.000 2.179 402 I HA -0.346 3.197 4.170 -1.045 0.000 0.242 402 I C 2.379 178.584 176.117 0.146 0.000 1.088 402 I CA 1.853 63.167 61.300 0.024 0.000 1.357 402 I CB -0.487 37.526 38.000 0.023 0.000 1.051 402 I HN 0.393 nan 8.210 nan 0.000 0.409 403 Y N 1.419 121.770 120.300 0.085 0.000 2.181 403 Y HA -0.193 3.730 4.550 -1.046 0.000 0.288 403 Y C 2.352 178.400 175.900 0.247 0.000 1.146 403 Y CA 1.682 59.903 58.100 0.201 0.000 1.164 403 Y CB -0.685 37.871 38.460 0.160 0.000 0.982 403 Y HN 0.090 nan 8.280 nan 0.000 0.515 404 G N -0.220 108.748 108.800 0.281 0.000 2.422 404 G HA2 -0.192 3.141 3.960 -1.045 0.000 0.218 404 G HA3 -0.192 3.141 3.960 -1.045 0.000 0.218 404 G C 1.751 176.620 174.900 -0.050 0.000 1.140 404 G CA 0.756 45.937 45.100 0.136 0.000 0.775 404 G HN 0.608 nan 8.290 nan 0.000 0.545 405 A N 0.899 123.687 122.820 -0.054 0.000 1.873 405 A HA 0.047 3.740 4.320 -1.045 0.000 0.215 405 A C 2.283 179.902 177.584 0.059 0.000 1.186 405 A CA 1.864 53.857 52.037 -0.074 0.000 0.616 405 A CB -0.345 18.615 19.000 -0.067 0.000 0.823 405 A HN 0.335 nan 8.150 nan 0.000 0.442 406 K N -1.386 119.106 120.400 0.153 0.000 2.097 406 K HA -0.159 3.534 4.320 -1.045 0.000 0.206 406 K C 1.952 178.653 176.600 0.167 0.000 1.049 406 K CA 1.693 58.168 56.287 0.312 0.000 0.933 406 K CB -0.275 32.456 32.500 0.384 0.000 0.717 406 K HN 0.629 nan 8.250 nan 0.000 0.442 407 H N -0.188 118.792 119.070 -0.149 0.000 2.428 407 H HA 0.036 3.965 4.556 -1.046 0.000 0.296 407 H C 1.848 177.057 175.328 -0.199 0.000 1.062 407 H CA 1.151 57.010 56.048 -0.315 0.000 1.350 407 H CB -0.116 29.358 29.762 -0.481 0.000 1.403 407 H HN 0.242 nan 8.280 nan 0.000 0.533 408 A N 0.425 123.190 122.820 -0.091 0.000 1.908 408 A HA -0.214 3.479 4.320 -1.045 0.000 0.218 408 A C 2.063 179.694 177.584 0.078 0.000 1.181 408 A CA 1.524 53.413 52.037 -0.245 0.000 0.627 408 A CB -0.981 17.501 19.000 -0.863 0.000 0.818 408 A HN 0.590 nan 8.150 nan 0.000 0.445 409 W N 0.820 122.138 121.300 0.029 0.000 2.355 409 W HA -0.111 3.925 4.660 -1.041 0.000 0.309 409 W C 2.370 178.854 176.519 -0.057 0.000 1.206 409 W CA 1.486 58.872 57.345 0.068 0.000 1.284 409 W CB -0.701 28.792 29.460 0.055 0.000 1.145 409 W HN 0.357 nan 8.180 nan 0.000 0.502 410 R N 0.251 120.661 120.500 -0.149 0.000 2.139 410 R HA -0.183 3.530 4.340 -1.045 0.000 0.243 410 R C 1.259 177.373 176.300 -0.309 0.000 1.145 410 R CA 1.780 57.545 56.100 -0.557 0.000 0.976 410 R CB -0.497 29.029 30.300 -1.289 0.000 0.866 410 R HN 0.143 nan 8.270 nan 0.000 0.449 411 N N 0.053 118.651 118.700 -0.171 0.000 2.336 411 N HA 0.041 4.154 4.740 -1.045 0.000 0.189 411 N C -0.495 174.991 175.510 -0.041 0.000 1.113 411 N CA 0.394 53.378 53.050 -0.109 0.000 0.858 411 N CB 0.871 39.308 38.487 -0.084 0.000 0.970 411 N HN 0.114 nan 8.380 nan 0.000 0.471 412 A N 1.259 124.105 122.820 0.043 0.000 2.655 412 A HA 0.155 3.847 4.320 -1.045 0.000 0.297 412 A C 1.481 179.077 177.584 0.020 0.000 1.461 412 A CA -0.216 51.857 52.037 0.060 0.000 1.146 412 A CB -0.247 18.840 19.000 0.146 0.000 1.108 412 A HN 0.273 nan 8.150 nan 0.000 0.550 413 S N 2.660 118.335 115.700 -0.041 0.000 2.469 413 S HA -0.166 3.677 4.470 -1.045 0.000 0.238 413 S C 1.465 176.051 174.600 -0.024 0.000 0.998 413 S CA 1.155 59.331 58.200 -0.040 0.000 0.957 413 S CB -0.226 62.913 63.200 -0.102 0.000 0.764 413 S HN 0.766 nan 8.310 nan 0.000 0.514 414 R N -0.485 119.976 120.500 -0.065 0.000 2.300 414 R HA 0.267 3.979 4.340 -1.045 0.000 0.199 414 R C 0.251 176.574 176.300 0.038 0.000 0.920 414 R CA 0.062 56.142 56.100 -0.033 0.000 1.046 414 R CB -0.212 29.942 30.300 -0.243 0.000 0.984 414 R HN 0.415 nan 8.270 nan 0.000 0.493 415 C N 0.753 120.072 119.300 0.032 0.000 2.325 415 C HA 0.214 4.047 4.460 -1.045 0.000 0.347 415 C C 1.951 176.928 174.990 -0.022 0.000 1.263 415 C CA -0.642 58.415 59.018 0.065 0.000 1.806 415 C CB 0.607 28.456 27.740 0.181 0.000 2.405 415 C HN 0.271 nan 8.230 nan 0.000 0.537 416 V N 5.960 125.809 119.914 -0.109 0.000 3.217 416 V HA 0.161 3.654 4.120 -1.045 0.000 0.264 416 V C 1.856 177.995 176.094 0.075 0.000 1.135 416 V CA 2.246 64.392 62.300 -0.256 0.000 1.142 416 V CB -0.140 31.543 31.823 -0.233 0.000 0.754 416 V HN 1.080 nan 8.190 nan 0.000 0.484 417 G N -0.786 108.080 108.800 0.110 0.000 3.233 417 G HA2 0.024 3.357 3.960 -1.045 0.000 0.227 417 G HA3 0.024 3.357 3.960 -1.045 0.000 0.227 417 G C 1.310 176.233 174.900 0.038 0.000 1.175 417 G CA -0.287 44.879 45.100 0.110 0.000 0.781 417 G HN 0.443 nan 8.290 nan 0.000 0.542 418 R N -0.116 120.349 120.500 -0.057 0.000 2.280 418 R HA 0.153 3.865 4.340 -1.045 0.000 0.207 418 R C 2.075 177.871 176.300 -0.841 0.000 1.043 418 R CA 0.075 55.869 56.100 -0.510 0.000 1.006 418 R CB -0.200 29.906 30.300 -0.324 0.000 0.885 418 R HN 0.414 nan 8.270 nan 0.000 0.467 419 I N 1.181 121.338 120.570 -0.688 0.000 2.479 419 I HA -0.298 3.245 4.170 -1.045 0.000 0.258 419 I C 1.084 176.982 176.117 -0.365 0.000 1.165 419 I CA 1.449 62.429 61.300 -0.533 0.000 1.422 419 I CB 0.147 38.086 38.000 -0.101 0.000 1.087 419 I HN 0.235 nan 8.210 nan 0.000 0.441 420 Q N 0.422 119.960 119.800 -0.436 0.000 2.320 420 Q HA -0.072 3.641 4.340 -1.045 0.000 0.201 420 Q C 1.517 177.005 176.000 -0.853 0.000 0.910 420 Q CA 0.236 55.789 55.803 -0.416 0.000 0.946 420 Q CB -0.132 28.548 28.738 -0.097 0.000 1.062 420 Q HN 0.786 nan 8.270 nan 0.000 0.503 421 W N 0.719 121.340 121.300 -1.133 0.000 2.363 421 W HA -0.156 3.876 4.660 -1.047 0.000 0.296 421 W C 1.306 177.505 176.519 -0.534 0.000 1.212 421 W CA 1.423 57.934 57.345 -1.390 0.000 1.260 421 W CB -1.147 27.674 29.460 -1.065 0.000 1.131 421 W HN 0.169 nan 8.180 nan 0.000 0.530 422 S N 1.112 115.855 115.700 -1.595 0.000 2.522 422 S HA -0.029 3.814 4.470 -1.045 0.000 0.227 422 S C 1.137 175.447 174.600 -0.483 0.000 0.986 422 S CA 0.385 57.828 58.200 -1.263 0.000 0.929 422 S CB -0.485 61.771 63.200 -1.573 0.000 0.769 422 S HN 0.192 nan 8.310 nan 0.000 0.529 423 K N 1.578 121.794 120.400 -0.306 0.000 2.994 423 K HA 0.326 4.019 4.320 -1.045 0.000 0.231 423 K C -0.541 176.111 176.600 0.087 0.000 1.174 423 K CA -0.333 55.906 56.287 -0.079 0.000 1.221 423 K CB -0.185 32.305 32.500 -0.018 0.000 1.166 423 K HN 0.338 nan 8.250 nan 0.000 0.453 424 L N 1.488 122.786 121.223 0.126 0.000 2.326 424 L HA 0.174 3.886 4.340 -1.045 0.000 0.278 424 L C -0.238 176.627 176.870 -0.009 0.000 1.092 424 L CA -0.178 54.768 54.840 0.178 0.000 0.810 424 L CB 1.236 43.481 42.059 0.310 0.000 1.153 424 L HN 0.101 nan 8.230 nan 0.000 0.439 425 Q N 3.374 123.111 119.800 -0.104 0.000 2.303 425 Q HA 0.517 4.230 4.340 -1.045 0.000 0.257 425 Q C -1.628 174.010 176.000 -0.604 0.000 0.941 425 Q CA -0.296 55.284 55.803 -0.372 0.000 0.931 425 Q CB 1.360 29.831 28.738 -0.444 0.000 1.215 425 Q HN 0.543 nan 8.270 nan 0.000 0.437 426 V N 5.919 125.478 119.914 -0.592 0.000 2.357 426 V HA 0.458 3.951 4.120 -1.045 0.000 0.284 426 V C -0.905 174.828 176.094 -0.602 0.000 1.018 426 V CA -0.573 61.445 62.300 -0.470 0.000 0.841 426 V CB 0.621 32.290 31.823 -0.257 0.000 0.991 426 V HN 0.660 nan 8.190 nan 0.000 0.437 427 F N 2.762 122.560 119.950 -0.253 0.000 2.411 427 F HA 0.411 4.315 4.527 -1.038 0.000 0.352 427 F C 0.388 176.001 175.800 -0.312 0.000 1.123 427 F CA -1.082 56.767 58.000 -0.251 0.000 1.044 427 F CB 1.199 40.059 39.000 -0.234 0.000 1.135 427 F HN 0.429 nan 8.300 nan 0.000 0.461 428 D N 3.005 123.349 120.400 -0.093 0.000 2.339 428 D HA 0.395 4.408 4.640 -1.045 0.000 0.241 428 D C 0.100 176.202 176.300 -0.329 0.000 1.183 428 D CA -0.019 53.846 54.000 -0.224 0.000 0.859 428 D CB 1.423 42.135 40.800 -0.145 0.000 1.067 428 D HN 0.621 nan 8.370 nan 0.000 0.484 429 A N 4.582 127.029 122.820 -0.621 0.000 2.574 429 A HA 0.154 3.847 4.320 -1.045 0.000 0.283 429 A C 1.578 178.831 177.584 -0.551 0.000 1.270 429 A CA -0.376 51.048 52.037 -1.021 0.000 0.945 429 A CB 0.000 17.915 19.000 -1.808 0.000 1.127 429 A HN 0.577 nan 8.150 nan 0.000 0.522 430 R N 0.696 121.003 120.500 -0.322 0.000 2.328 430 R HA -0.088 3.625 4.340 -1.045 0.000 0.207 430 R C 0.767 177.008 176.300 -0.097 0.000 1.056 430 R CA 1.194 57.184 56.100 -0.183 0.000 1.016 430 R CB 0.004 30.241 30.300 -0.106 0.000 0.872 430 R HN 0.666 nan 8.270 nan 0.000 0.471 431 D N -0.547 119.824 120.400 -0.048 0.000 2.340 431 D HA -0.063 3.950 4.640 -1.045 0.000 0.220 431 D C 0.403 176.771 176.300 0.113 0.000 1.039 431 D CA -0.214 53.814 54.000 0.046 0.000 0.866 431 D CB -0.518 40.335 40.800 0.087 0.000 0.913 431 D HN -0.009 nan 8.370 nan 0.000 0.523 432 C N 1.481 120.844 119.300 0.105 0.000 2.657 432 C HA 0.300 4.133 4.460 -1.045 0.000 0.420 432 C C 1.897 177.034 174.990 0.246 0.000 1.323 432 C CA 1.092 60.261 59.018 0.251 0.000 1.894 432 C CB -0.103 27.832 27.740 0.325 0.000 2.681 432 C HN 0.595 nan 8.230 nan 0.000 0.613 433 T N -0.042 114.709 114.554 0.329 0.000 3.009 433 T HA 0.250 3.973 4.350 -1.045 0.000 0.267 433 T C 0.269 175.161 174.700 0.320 0.000 0.942 433 T CA 0.555 62.879 62.100 0.373 0.000 0.883 433 T CB -0.113 68.899 68.868 0.240 0.000 1.192 433 T HN 0.866 nan 8.240 nan 0.000 0.524 434 T N -1.716 113.008 114.554 0.283 0.000 2.864 434 T HA 0.814 4.537 4.350 -1.045 0.000 0.289 434 T C 1.408 176.217 174.700 0.181 0.000 1.082 434 T CA -0.197 62.023 62.100 0.201 0.000 1.009 434 T CB 1.436 70.421 68.868 0.195 0.000 1.234 434 T HN 0.082 nan 8.240 nan 0.000 0.526 435 A N -0.250 122.652 122.820 0.137 0.000 2.015 435 A HA 0.033 3.725 4.320 -1.045 0.000 0.219 435 A C 1.942 179.490 177.584 -0.060 0.000 1.163 435 A CA 1.486 53.561 52.037 0.063 0.000 0.646 435 A CB -1.324 17.758 19.000 0.137 0.000 0.806 435 A HN 0.981 nan 8.150 nan 0.000 0.448 436 H N -0.519 118.579 119.070 0.047 0.000 2.326 436 H HA 0.020 5.366 4.556 1.317 0.000 0.301 436 H C 2.430 177.765 175.328 0.013 0.000 1.081 436 H CA 1.576 57.619 56.048 -0.007 0.000 1.334 436 H CB -0.480 29.349 29.762 0.112 0.000 1.385 436 H HN 0.454 nan 8.280 nan 0.000 0.504 437 G N 0.598 109.524 108.800 0.210 0.000 2.599 437 G HA2 -0.365 2.968 3.960 -1.045 0.000 0.219 437 G HA3 -0.365 2.968 3.960 -1.045 0.000 0.219 437 G C 1.676 176.735 174.900 0.265 0.000 1.193 437 G CA 1.537 46.767 45.100 0.215 0.000 0.778 437 G HN 0.297 nan 8.290 nan 0.000 0.589 438 M N -0.609 119.105 119.600 0.191 0.000 2.106 438 M HA -0.023 3.830 4.480 -1.045 0.000 0.259 438 M C 2.346 178.670 176.300 0.041 0.000 1.068 438 M CA 1.526 56.868 55.300 0.070 0.000 1.100 438 M CB -0.433 32.004 32.600 -0.272 0.000 1.351 438 M HN 0.330 nan 8.290 nan 0.000 0.404 439 F N 1.143 120.885 119.950 -0.345 0.000 2.095 439 F HA -0.311 3.655 4.527 -0.935 0.000 0.298 439 F C 2.149 177.838 175.800 -0.185 0.000 1.104 439 F CA 1.978 59.697 58.000 -0.467 0.000 1.232 439 F CB -0.231 38.152 39.000 -1.028 0.000 0.987 439 F HN 0.181 nan 8.300 nan 0.000 0.475 440 N N -0.430 118.119 118.700 -0.251 0.000 2.120 440 N HA -0.247 3.866 4.740 -1.045 0.000 0.188 440 N C 1.770 177.112 175.510 -0.281 0.000 1.024 440 N CA 1.937 54.797 53.050 -0.317 0.000 0.852 440 N CB -0.726 37.634 38.487 -0.212 0.000 1.003 440 N HN 0.475 nan 8.380 nan 0.000 0.424 441 Y N 0.237 120.499 120.300 -0.064 0.000 2.207 441 Y HA -0.110 3.809 4.550 -1.051 0.000 0.287 441 Y C 2.151 178.021 175.900 -0.050 0.000 1.156 441 Y CA 1.057 59.141 58.100 -0.027 0.000 1.182 441 Y CB -0.092 38.472 38.460 0.174 0.000 0.979 441 Y HN 0.122 nan 8.280 nan 0.000 0.521 442 I N -1.420 119.213 120.570 0.105 0.000 2.163 442 I HA -0.334 3.209 4.170 -1.045 0.000 0.240 442 I C 2.296 178.334 176.117 -0.132 0.000 1.081 442 I CA 0.956 62.259 61.300 0.005 0.000 1.353 442 I CB -0.486 37.510 38.000 -0.006 0.000 1.054 442 I HN 0.273 nan 8.210 nan 0.000 0.407 443 C N 0.786 119.879 119.300 -0.344 0.000 2.413 443 C HA -0.159 3.674 4.460 -1.045 0.000 0.277 443 C C 2.591 177.479 174.990 -0.171 0.000 1.265 443 C CA 0.885 59.710 59.018 -0.322 0.000 1.752 443 C CB -1.525 25.906 27.740 -0.515 0.000 1.998 443 C HN 0.551 nan 8.230 nan 0.000 0.489 444 N N -0.223 118.364 118.700 -0.188 0.000 2.142 444 N HA -0.113 4.000 4.740 -1.045 0.000 0.186 444 N C 1.478 176.910 175.510 -0.129 0.000 1.023 444 N CA 1.336 54.274 53.050 -0.186 0.000 0.852 444 N CB -0.822 37.487 38.487 -0.296 0.000 0.998 444 N HN 0.757 nan 8.380 nan 0.000 0.424 445 H N 0.302 119.235 119.070 -0.228 0.000 2.290 445 H HA -0.045 3.884 4.556 -1.045 0.000 0.298 445 H C 1.840 177.209 175.328 0.068 0.000 1.087 445 H CA 1.559 57.555 56.048 -0.086 0.000 1.291 445 H CB 0.088 29.854 29.762 0.007 0.000 1.369 445 H HN -0.102 nan 8.280 nan 0.000 0.492 446 V N 1.014 121.058 119.914 0.218 0.000 2.324 446 V HA -0.287 3.206 4.120 -1.045 0.000 0.250 446 V C 2.508 178.691 176.094 0.148 0.000 1.060 446 V CA 2.343 64.730 62.300 0.145 0.000 1.042 446 V CB -0.527 31.304 31.823 0.013 0.000 0.650 446 V HN 0.448 nan 8.190 nan 0.000 0.450 447 K N -0.971 119.490 120.400 0.102 0.000 2.031 447 K HA -0.206 3.487 4.320 -1.045 0.000 0.205 447 K C 2.291 178.961 176.600 0.117 0.000 1.049 447 K CA 1.584 57.916 56.287 0.077 0.000 0.939 447 K CB -0.398 32.119 32.500 0.029 0.000 0.717 447 K HN 0.464 nan 8.250 nan 0.000 0.438 448 Y N 0.995 121.320 120.300 0.042 0.000 2.151 448 Y HA -0.284 3.638 4.550 -1.047 0.000 0.284 448 Y C 1.975 177.956 175.900 0.135 0.000 1.166 448 Y CA 2.008 60.164 58.100 0.093 0.000 1.163 448 Y CB -0.354 38.190 38.460 0.139 0.000 0.974 448 Y HN 0.213 nan 8.280 nan 0.000 0.511 449 A N -0.983 122.022 122.820 0.309 0.000 1.897 449 A HA -0.132 3.561 4.320 -1.045 0.000 0.215 449 A C 2.216 179.872 177.584 0.121 0.000 1.181 449 A CA 2.044 54.226 52.037 0.242 0.000 0.620 449 A CB -1.241 17.985 19.000 0.376 0.000 0.821 449 A HN 0.495 nan 8.150 nan 0.000 0.443 450 T N -0.102 114.520 114.554 0.113 0.000 2.708 450 T HA -0.125 3.598 4.350 -1.045 0.000 0.266 450 T C 1.077 175.789 174.700 0.020 0.000 1.037 450 T CA 1.388 63.538 62.100 0.083 0.000 1.146 450 T CB -0.439 68.476 68.868 0.078 0.000 0.865 450 T HN 0.656 nan 8.240 nan 0.000 0.435 451 N N 1.145 119.828 118.700 -0.028 0.000 2.714 451 N HA -0.226 3.887 4.740 -1.045 0.000 0.252 451 N C -0.375 175.110 175.510 -0.042 0.000 1.014 451 N CA 0.753 53.757 53.050 -0.077 0.000 0.735 451 N CB -1.609 36.785 38.487 -0.155 0.000 0.924 451 N HN 0.578 nan 8.380 nan 0.000 0.540 452 K N -1.964 118.425 120.400 -0.019 0.000 3.069 452 K HA -0.214 3.479 4.320 -1.045 0.000 0.267 452 K C 1.081 177.669 176.600 -0.020 0.000 1.082 452 K CA 1.132 57.409 56.287 -0.016 0.000 0.782 452 K CB -1.672 30.815 32.500 -0.022 0.000 1.230 452 K HN 0.987 nan 8.250 nan 0.000 0.488 453 G N 0.267 109.063 108.800 -0.007 0.000 2.232 453 G HA2 -0.349 2.983 3.960 -1.045 0.000 0.226 453 G HA3 -0.349 2.983 3.960 -1.045 0.000 0.226 453 G C -0.097 174.792 174.900 -0.018 0.000 0.996 453 G CA 0.148 45.244 45.100 -0.007 0.000 0.626 453 G HN 0.496 nan 8.290 nan 0.000 0.509 454 N N 1.444 120.121 118.700 -0.039 0.000 3.229 454 N HA 0.410 4.523 4.740 -1.045 0.000 0.275 454 N C 0.699 176.175 175.510 -0.057 0.000 1.225 454 N CA -0.468 52.540 53.050 -0.070 0.000 1.119 454 N CB -0.190 38.252 38.487 -0.076 0.000 1.392 454 N HN 0.366 nan 8.380 nan 0.000 0.520 455 L N 1.826 123.041 121.223 -0.015 0.000 2.483 455 L HA 0.167 3.880 4.340 -1.045 0.000 0.276 455 L C 0.514 177.483 176.870 0.165 0.000 1.213 455 L CA 0.335 55.239 54.840 0.107 0.000 0.843 455 L CB 0.263 42.479 42.059 0.262 0.000 1.107 455 L HN 0.329 nan 8.230 nan 0.000 0.487 456 R N 1.201 121.821 120.500 0.200 0.000 2.575 456 R HA 0.342 4.054 4.340 -1.045 0.000 0.293 456 R C -0.773 175.707 176.300 0.300 0.000 0.983 456 R CA -0.661 55.589 56.100 0.251 0.000 0.887 456 R CB 2.079 32.409 30.300 0.051 0.000 1.184 456 R HN 0.557 nan 8.270 nan 0.000 0.445 457 S N 1.366 117.247 115.700 0.302 0.000 2.558 457 S HA 0.414 4.257 4.470 -1.045 0.000 0.288 457 S C -0.211 174.450 174.600 0.102 0.000 1.318 457 S CA 0.006 58.277 58.200 0.120 0.000 1.056 457 S CB 1.002 64.242 63.200 0.067 0.000 0.853 457 S HN 0.688 nan 8.310 nan 0.000 0.505 458 A N 2.368 125.199 122.820 0.018 0.000 2.599 458 A HA 0.837 4.530 4.320 -1.045 0.000 0.290 458 A C -1.345 176.209 177.584 -0.050 0.000 1.101 458 A CA -0.687 51.277 52.037 -0.122 0.000 0.674 458 A CB 1.160 20.028 19.000 -0.221 0.000 1.277 458 A HN 0.801 nan 8.150 nan 0.000 0.419 459 I N 0.118 120.631 120.570 -0.095 0.000 2.692 459 I HA 0.638 4.180 4.170 -1.045 0.000 0.293 459 I C -1.172 174.986 176.117 0.069 0.000 1.200 459 I CA -0.015 61.368 61.300 0.139 0.000 1.036 459 I CB 2.383 40.438 38.000 0.093 0.000 1.258 459 I HN 0.607 nan 8.210 nan 0.000 0.421 460 T N 7.787 122.460 114.554 0.198 0.000 2.807 460 T HA 0.600 4.323 4.350 -1.045 0.000 0.279 460 T C -0.453 174.061 174.700 -0.310 0.000 0.993 460 T CA -0.269 61.811 62.100 -0.034 0.000 0.970 460 T CB 1.138 70.038 68.868 0.053 0.000 0.950 460 T HN 0.315 nan 8.240 nan 0.000 0.441 461 I N 3.874 124.126 120.570 -0.530 0.000 2.382 461 I HA 0.409 3.952 4.170 -1.045 0.000 0.285 461 I C -0.603 175.123 176.117 -0.652 0.000 1.007 461 I CA -0.671 60.333 61.300 -0.493 0.000 1.142 461 I CB 0.859 38.551 38.000 -0.515 0.000 1.289 461 I HN 0.479 nan 8.210 nan 0.000 0.453 462 F N 6.554 126.411 119.950 -0.156 0.000 2.362 462 F HA 0.450 4.356 4.527 -1.035 0.000 0.311 462 F C -1.865 173.790 175.800 -0.242 0.000 1.161 462 F CA -2.286 55.548 58.000 -0.276 0.000 1.085 462 F CB -0.157 38.706 39.000 -0.228 0.000 1.311 462 F HN 0.211 nan 8.300 nan 0.000 0.524 463 P HA -0.014 nan 4.420 nan 0.000 0.264 463 P C -0.953 176.343 177.300 -0.007 0.000 1.183 463 P CA -0.139 62.819 63.100 -0.236 0.000 0.763 463 P CB 0.197 31.595 31.700 -0.504 0.000 0.807 464 Q N 3.053 122.842 119.800 -0.018 0.000 2.474 464 Q HA 0.056 3.769 4.340 -1.045 0.000 0.256 464 Q C 0.223 176.150 176.000 -0.121 0.000 1.048 464 Q CA -0.360 55.245 55.803 -0.330 0.000 0.922 464 Q CB 0.593 28.872 28.738 -0.764 0.000 1.288 464 Q HN 0.335 nan 8.270 nan 0.000 0.484 465 R N 0.363 120.783 120.500 -0.134 0.000 2.697 465 R HA -0.052 3.660 4.340 -1.045 0.000 0.265 465 R C 0.329 176.599 176.300 -0.050 0.000 1.009 465 R CA 1.274 57.354 56.100 -0.035 0.000 1.099 465 R CB 0.451 30.717 30.300 -0.056 0.000 0.965 465 R HN 0.986 nan 8.270 nan 0.000 0.428 466 T N -1.111 113.446 114.554 0.005 0.000 3.330 466 T HA -0.000 3.723 4.350 -1.045 0.000 0.185 466 T C 0.989 175.678 174.700 -0.019 0.000 0.874 466 T CA 0.172 62.258 62.100 -0.023 0.000 1.268 466 T CB -0.329 68.515 68.868 -0.040 0.000 1.866 466 T HN 0.710 nan 8.240 nan 0.000 0.395 467 D N 1.232 121.623 120.400 -0.015 0.000 2.340 467 D HA 0.212 4.225 4.640 -1.045 0.000 0.220 467 D C 1.667 178.003 176.300 0.059 0.000 1.039 467 D CA 0.875 54.883 54.000 0.013 0.000 0.866 467 D CB -0.521 40.280 40.800 0.001 0.000 0.913 467 D HN 1.017 nan 8.370 nan 0.000 0.523 468 G N 1.021 109.867 108.800 0.076 0.000 2.184 468 G HA2 -0.367 2.966 3.960 -1.045 0.000 0.264 468 G HA3 -0.367 2.966 3.960 -1.045 0.000 0.264 468 G C 0.971 175.928 174.900 0.094 0.000 0.975 468 G CA 0.571 45.714 45.100 0.072 0.000 0.642 468 G HN 0.473 nan 8.290 nan 0.000 0.536 469 K N -0.602 119.898 120.400 0.167 0.000 2.373 469 K HA 0.342 4.034 4.320 -1.045 0.000 0.202 469 K C 0.643 177.271 176.600 0.047 0.000 1.025 469 K CA 0.030 56.392 56.287 0.125 0.000 1.115 469 K CB 0.364 32.929 32.500 0.108 0.000 0.858 469 K HN 0.479 nan 8.250 nan 0.000 0.525 470 H N -0.143 118.934 119.070 0.012 0.000 2.549 470 H HA 0.188 4.118 4.556 -1.044 0.000 0.253 470 H C -0.944 174.378 175.328 -0.011 0.000 1.170 470 H CA -0.832 55.208 56.048 -0.013 0.000 0.943 470 H CB 0.200 29.977 29.762 0.025 0.000 1.849 470 H HN 0.011 nan 8.280 nan 0.000 0.603 471 D N 0.243 120.693 120.400 0.084 0.000 2.399 471 D HA 0.020 4.032 4.640 -1.045 0.000 0.241 471 D C -0.052 176.263 176.300 0.026 0.000 1.133 471 D CA 0.439 54.512 54.000 0.121 0.000 0.890 471 D CB 0.581 41.433 40.800 0.086 0.000 1.201 471 D HN 0.082 nan 8.370 nan 0.000 0.432 472 F N 1.788 121.772 119.950 0.057 0.000 2.408 472 F HA 0.415 4.310 4.527 -1.054 0.000 0.344 472 F C 0.929 176.751 175.800 0.035 0.000 1.112 472 F CA -0.385 57.629 58.000 0.023 0.000 1.096 472 F CB 0.905 39.923 39.000 0.031 0.000 1.129 472 F HN -0.162 nan 8.300 nan 0.000 0.486 473 R N 1.935 122.527 120.500 0.154 0.000 2.651 473 R HA 0.534 4.247 4.340 -1.045 0.000 0.278 473 R C -1.673 174.749 176.300 0.204 0.000 1.010 473 R CA -0.961 55.244 56.100 0.175 0.000 0.896 473 R CB 2.157 32.562 30.300 0.175 0.000 1.211 473 R HN 0.367 nan 8.270 nan 0.000 0.456 474 V N 2.803 122.820 119.914 0.172 0.000 2.383 474 V HA 0.146 3.639 4.120 -1.045 0.000 0.275 474 V C 0.335 176.608 176.094 0.299 0.000 1.036 474 V CA -0.334 62.078 62.300 0.186 0.000 0.889 474 V CB 1.173 33.041 31.823 0.076 0.000 0.985 474 V HN 0.737 nan 8.190 nan 0.000 0.459 475 W N 2.214 123.550 121.300 0.060 0.000 2.476 475 W HA 0.062 4.111 4.660 -1.018 0.000 0.281 475 W C 1.121 177.587 176.519 -0.088 0.000 1.230 475 W CA -0.444 56.996 57.345 0.157 0.000 1.287 475 W CB -0.689 29.030 29.460 0.432 0.000 1.108 475 W HN 0.528 nan 8.180 nan 0.000 0.567 476 N N 0.283 118.954 118.700 -0.048 0.000 2.345 476 N HA -0.048 4.065 4.740 -1.045 0.000 0.243 476 N C 1.316 176.621 175.510 -0.342 0.000 1.246 476 N CA 1.114 53.814 53.050 -0.585 0.000 0.863 476 N CB 0.531 38.880 38.487 -0.229 0.000 1.096 476 N HN -0.070 nan 8.380 nan 0.000 0.446 477 S N 0.387 115.867 115.700 -0.366 0.000 2.470 477 S HA 0.005 3.848 4.470 -1.045 0.000 0.225 477 S C 0.273 174.765 174.600 -0.180 0.000 1.006 477 S CA 0.434 58.516 58.200 -0.196 0.000 0.934 477 S CB 0.101 63.232 63.200 -0.115 0.000 0.778 477 S HN 0.626 nan 8.310 nan 0.000 0.517 478 Q N -0.425 119.257 119.800 -0.197 0.000 2.423 478 Q HA 0.517 4.230 4.340 -1.045 0.000 0.278 478 Q C 0.275 176.147 176.000 -0.212 0.000 1.097 478 Q CA -0.602 55.084 55.803 -0.196 0.000 0.809 478 Q CB 1.920 30.580 28.738 -0.130 0.000 1.391 478 Q HN 0.082 nan 8.270 nan 0.000 0.428 479 L N 0.493 121.585 121.223 -0.219 0.000 2.079 479 L HA -0.020 3.692 4.340 -1.045 0.000 0.210 479 L C 0.523 177.258 176.870 -0.225 0.000 1.081 479 L CA 1.409 56.135 54.840 -0.190 0.000 0.752 479 L CB -0.016 41.922 42.059 -0.201 0.000 0.896 479 L HN 0.501 nan 8.230 nan 0.000 0.433 480 I N -0.506 119.852 120.570 -0.354 0.000 2.500 480 I HA 0.358 3.901 4.170 -1.045 0.000 0.286 480 I C -0.460 175.069 176.117 -0.980 0.000 1.063 480 I CA -0.384 60.563 61.300 -0.588 0.000 1.062 480 I CB 1.845 39.468 38.000 -0.629 0.000 1.223 480 I HN 0.039 nan 8.210 nan 0.000 0.435 481 R N 4.232 124.252 120.500 -0.801 0.000 2.692 481 R HA 0.477 4.190 4.340 -1.045 0.000 0.269 481 R C -1.775 174.267 176.300 -0.430 0.000 1.030 481 R CA -0.959 54.761 56.100 -0.633 0.000 0.882 481 R CB 2.731 32.898 30.300 -0.221 0.000 1.250 481 R HN 0.418 nan 8.270 nan 0.000 0.465 482 Y N 0.268 120.579 120.300 0.017 0.000 2.320 482 Y HA 0.454 4.377 4.550 -1.045 0.000 0.324 482 Y C 0.876 176.835 175.900 0.098 0.000 1.190 482 Y CA -0.794 57.374 58.100 0.114 0.000 1.215 482 Y CB 1.562 40.168 38.460 0.244 0.000 1.221 482 Y HN 0.625 nan 8.280 nan 0.000 0.486 483 A N 1.546 124.538 122.820 0.288 0.000 2.466 483 A HA 0.493 4.186 4.320 -1.045 0.000 0.238 483 A C 0.441 177.953 177.584 -0.121 0.000 1.074 483 A CA 0.303 52.353 52.037 0.021 0.000 0.774 483 A CB -0.268 18.759 19.000 0.046 0.000 1.015 483 A HN 0.895 nan 8.150 nan 0.000 0.498 484 G N 0.443 109.058 108.800 -0.308 0.000 2.574 484 G HA2 0.563 3.896 3.960 -1.045 0.000 0.306 484 G HA3 0.563 3.896 3.960 -1.045 0.000 0.306 484 G C -1.232 173.453 174.900 -0.358 0.000 1.334 484 G CA -0.255 44.705 45.100 -0.234 0.000 0.954 484 G HN 0.534 nan 8.290 nan 0.000 0.500 485 Y N 1.438 121.758 120.300 0.033 0.000 2.328 485 Y HA 0.462 4.384 4.550 -1.047 0.000 0.336 485 Y C 0.667 176.567 175.900 0.001 0.000 0.960 485 Y CA -0.984 57.129 58.100 0.022 0.000 1.134 485 Y CB 2.186 40.657 38.460 0.019 0.000 1.166 485 Y HN 0.412 nan 8.280 nan 0.000 0.464 486 K N 2.300 122.776 120.400 0.127 0.000 2.258 486 K HA 0.279 3.971 4.320 -1.045 0.000 0.264 486 K C -0.634 176.009 176.600 0.072 0.000 1.007 486 K CA -0.112 56.219 56.287 0.073 0.000 0.941 486 K CB 0.642 33.169 32.500 0.045 0.000 0.966 486 K HN 0.709 nan 8.250 nan 0.000 0.480 487 Q N 1.736 121.561 119.800 0.043 0.000 2.433 487 Q HA 0.282 3.995 4.340 -1.045 0.000 0.279 487 Q C -2.074 173.933 176.000 0.012 0.000 1.105 487 Q CA -2.105 53.713 55.803 0.025 0.000 0.815 487 Q CB 1.878 30.626 28.738 0.017 0.000 1.403 487 Q HN 0.349 nan 8.270 nan 0.000 0.435 488 P HA -0.101 nan 4.420 nan 0.000 0.261 488 P C -0.426 176.873 177.300 -0.002 0.000 1.297 488 P CA 1.091 64.190 63.100 -0.001 0.000 0.757 488 P CB -0.047 31.648 31.700 -0.008 0.000 1.149 489 D N -3.647 116.753 120.400 0.001 0.000 2.514 489 D HA 0.199 4.212 4.640 -1.045 0.000 0.225 489 D C 1.375 177.678 176.300 0.004 0.000 1.159 489 D CA 0.308 54.309 54.000 0.000 0.000 0.823 489 D CB -0.026 40.773 40.800 -0.002 0.000 1.097 489 D HN 0.005 nan 8.370 nan 0.000 0.519 490 G N 0.165 108.969 108.800 0.007 0.000 2.179 490 G HA2 -0.258 3.075 3.960 -1.045 0.000 0.220 490 G HA3 -0.258 3.075 3.960 -1.045 0.000 0.220 490 G C 0.496 175.403 174.900 0.013 0.000 0.990 490 G CA 0.276 45.382 45.100 0.010 0.000 0.646 490 G HN 0.846 nan 8.290 nan 0.000 0.517 491 S N -0.574 115.133 115.700 0.012 0.000 2.671 491 S HA 0.820 4.662 4.470 -1.045 0.000 0.272 491 S C 0.037 174.647 174.600 0.017 0.000 1.174 491 S CA 0.456 58.663 58.200 0.012 0.000 1.004 491 S CB 1.995 65.200 63.200 0.009 0.000 1.077 491 S HN 0.606 nan 8.310 nan 0.000 0.553 492 T N 0.849 115.410 114.554 0.011 0.000 2.893 492 T HA 0.628 4.351 4.350 -1.045 0.000 0.291 492 T C -1.240 173.466 174.700 0.010 0.000 1.028 492 T CA -0.528 61.580 62.100 0.014 0.000 0.995 492 T CB 1.280 70.144 68.868 -0.008 0.000 1.051 492 T HN 0.635 nan 8.240 nan 0.000 0.470 493 L N 2.176 123.432 121.223 0.054 0.000 2.356 493 L HA 0.755 4.467 4.340 -1.045 0.000 0.277 493 L C 0.526 177.445 176.870 0.082 0.000 0.996 493 L CA 0.861 55.737 54.840 0.061 0.000 0.822 493 L CB 0.731 42.840 42.059 0.084 0.000 1.256 493 L HN 0.943 nan 8.230 nan 0.000 0.413 494 G N 3.618 112.380 108.800 -0.063 0.000 2.603 494 G HA2 -0.219 3.114 3.960 -1.045 0.000 0.245 494 G HA3 -0.219 3.114 3.960 -1.045 0.000 0.245 494 G C -0.758 173.795 174.900 -0.578 0.000 1.195 494 G CA 0.182 45.194 45.100 -0.146 0.000 0.953 494 G HN 0.838 nan 8.290 nan 0.000 0.566 495 D N 1.838 122.078 120.400 -0.266 0.000 2.453 495 D HA 0.578 4.591 4.640 -1.045 0.000 0.238 495 D C -1.431 174.819 176.300 -0.083 0.000 1.088 495 D CA -1.805 52.052 54.000 -0.238 0.000 0.854 495 D CB 1.754 42.688 40.800 0.223 0.000 1.076 495 D HN 0.002 nan 8.370 nan 0.000 0.533 496 P HA -0.019 nan 4.420 nan 0.000 0.225 496 P C 0.985 178.304 177.300 0.031 0.000 1.148 496 P CA 0.525 63.610 63.100 -0.025 0.000 0.779 496 P CB 0.270 31.955 31.700 -0.024 0.000 0.780 497 A N -0.116 122.746 122.820 0.069 0.000 2.067 497 A HA -0.125 3.568 4.320 -1.045 0.000 0.219 497 A C 1.724 179.374 177.584 0.110 0.000 1.158 497 A CA 1.353 53.451 52.037 0.102 0.000 0.661 497 A CB -0.815 18.269 19.000 0.140 0.000 0.801 497 A HN 0.157 nan 8.150 nan 0.000 0.452 498 N N -0.666 118.094 118.700 0.100 0.000 2.204 498 N HA 0.129 4.242 4.740 -1.045 0.000 0.219 498 N C 1.142 176.692 175.510 0.067 0.000 1.151 498 N CA 0.238 53.360 53.050 0.120 0.000 0.867 498 N CB 0.680 39.247 38.487 0.134 0.000 1.043 498 N HN 0.187 nan 8.380 nan 0.000 0.516 499 V N 1.382 121.311 119.914 0.024 0.000 2.252 499 V HA -0.297 3.195 4.120 -1.045 0.000 0.249 499 V C 2.657 178.729 176.094 -0.036 0.000 1.056 499 V CA 1.952 64.237 62.300 -0.024 0.000 1.022 499 V CB -0.414 31.406 31.823 -0.005 0.000 0.641 499 V HN 0.368 nan 8.190 nan 0.000 0.445 500 Q N -0.982 118.809 119.800 -0.016 0.000 2.061 500 Q HA -0.261 3.451 4.340 -1.045 0.000 0.204 500 Q C 2.170 178.063 176.000 -0.177 0.000 0.984 500 Q CA 2.327 58.076 55.803 -0.090 0.000 0.846 500 Q CB -0.274 28.423 28.738 -0.068 0.000 0.902 500 Q HN 0.595 nan 8.270 nan 0.000 0.421 501 F N 1.044 120.828 119.950 -0.277 0.000 2.126 501 F HA -0.179 3.717 4.527 -1.052 0.000 0.299 501 F C 2.065 177.739 175.800 -0.210 0.000 1.096 501 F CA 2.000 59.812 58.000 -0.315 0.000 1.255 501 F CB -0.576 38.339 39.000 -0.142 0.000 0.997 501 F HN 0.054 nan 8.300 nan 0.000 0.479 502 T N 0.027 114.472 114.554 -0.181 0.000 2.881 502 T HA -0.164 3.558 4.350 -1.045 0.000 0.270 502 T C 1.675 176.276 174.700 -0.165 0.000 1.068 502 T CA 1.587 63.547 62.100 -0.232 0.000 1.131 502 T CB -0.311 68.424 68.868 -0.222 0.000 0.871 502 T HN 0.448 nan 8.240 nan 0.000 0.479 503 E N 0.806 120.910 120.200 -0.160 0.000 2.051 503 E HA 0.036 3.759 4.350 -1.045 0.000 0.189 503 E C 2.165 178.674 176.600 -0.152 0.000 0.979 503 E CA 0.677 57.014 56.400 -0.106 0.000 0.803 503 E CB -0.277 29.369 29.700 -0.090 0.000 0.761 503 E HN 0.443 nan 8.360 nan 0.000 0.451 504 I N 1.235 121.653 120.570 -0.255 0.000 2.248 504 I HA -0.337 3.205 4.170 -1.045 0.000 0.248 504 I C 2.394 178.351 176.117 -0.267 0.000 1.107 504 I CA 0.852 62.002 61.300 -0.251 0.000 1.373 504 I CB -0.279 37.539 38.000 -0.303 0.000 1.055 504 I HN 0.219 nan 8.210 nan 0.000 0.418 505 C N 0.389 119.449 119.300 -0.401 0.000 2.446 505 C HA -0.077 3.755 4.460 -1.045 0.000 0.277 505 C C 2.677 177.661 174.990 -0.011 0.000 1.275 505 C CA 0.424 59.253 59.018 -0.314 0.000 1.727 505 C CB -0.744 26.685 27.740 -0.517 0.000 2.010 505 C HN 0.441 nan 8.230 nan 0.000 0.486 506 I N 0.935 121.542 120.570 0.062 0.000 2.353 506 I HA -0.186 3.356 4.170 -1.045 0.000 0.248 506 I C 2.706 178.827 176.117 0.007 0.000 1.119 506 I CA 1.312 62.675 61.300 0.104 0.000 1.417 506 I CB -0.697 37.367 38.000 0.106 0.000 1.078 506 I HN 0.478 nan 8.210 nan 0.000 0.421 507 Q N 0.837 120.612 119.800 -0.042 0.000 2.444 507 Q HA -0.109 3.604 4.340 -1.045 0.000 0.206 507 Q C 1.264 177.210 176.000 -0.090 0.000 0.948 507 Q CA 0.735 56.494 55.803 -0.073 0.000 0.946 507 Q CB 0.335 29.018 28.738 -0.090 0.000 1.027 507 Q HN 0.493 nan 8.270 nan 0.000 0.513 508 Q N -0.842 118.912 119.800 -0.077 0.000 2.217 508 Q HA 0.195 3.907 4.340 -1.045 0.000 0.217 508 Q C 0.442 176.405 176.000 -0.062 0.000 0.844 508 Q CA 0.729 56.483 55.803 -0.082 0.000 0.957 508 Q CB 1.674 30.351 28.738 -0.103 0.000 1.127 508 Q HN 0.546 nan 8.270 nan 0.000 0.503 509 G N 0.586 109.373 108.800 -0.021 0.000 2.145 509 G HA2 -0.186 3.147 3.960 -1.045 0.000 0.145 509 G HA3 -0.186 3.147 3.960 -1.045 0.000 0.145 509 G C -0.698 174.233 174.900 0.052 0.000 1.017 509 G CA -0.380 44.715 45.100 -0.009 0.000 0.682 509 G HN 0.215 nan 8.290 nan 0.000 0.504 510 W N 2.663 123.893 121.300 -0.117 0.000 2.253 510 W HA 0.618 4.647 4.660 -1.052 0.000 0.322 510 W C 0.380 176.866 176.519 -0.055 0.000 1.342 510 W CA -0.633 56.654 57.345 -0.096 0.000 1.218 510 W CB 0.580 29.974 29.460 -0.110 0.000 1.205 510 W HN 0.055 nan 8.180 nan 0.000 0.551 511 K N 5.838 125.980 120.400 -0.429 0.000 2.284 511 K HA 0.488 4.181 4.320 -1.045 0.000 0.287 511 K C -0.185 175.802 176.600 -1.023 0.000 1.081 511 K CA -0.379 55.607 56.287 -0.503 0.000 0.910 511 K CB 0.618 32.941 32.500 -0.295 0.000 1.088 511 K HN 0.469 nan 8.250 nan 0.000 0.478 512 A N 4.606 126.851 122.820 -0.958 0.000 2.274 512 A HA 0.320 4.013 4.320 -1.045 0.000 0.309 512 A C -1.487 175.789 177.584 -0.514 0.000 1.226 512 A CA -1.344 50.007 52.037 -1.143 0.000 0.853 512 A CB 0.313 18.956 19.000 -0.595 0.000 1.146 512 A HN 0.525 nan 8.150 nan 0.000 0.518 513 P HA -0.058 nan 4.420 nan 0.000 0.237 513 P C 0.035 177.189 177.300 -0.242 0.000 1.178 513 P CA 0.095 63.071 63.100 -0.206 0.000 0.766 513 P CB 0.028 31.679 31.700 -0.081 0.000 0.876 514 R N -1.045 119.216 120.500 -0.399 0.000 3.422 514 R HA -0.107 3.606 4.340 -1.045 0.000 0.267 514 R C 0.720 176.732 176.300 -0.480 0.000 1.074 514 R CA 0.393 55.923 56.100 -0.951 0.000 0.718 514 R CB -2.321 27.508 30.300 -0.785 0.000 1.157 514 R HN 0.394 nan 8.270 nan 0.000 0.440 515 G N -0.830 107.894 108.800 -0.128 0.000 2.820 515 G HA2 0.407 3.740 3.960 -1.045 0.000 0.291 515 G HA3 0.407 3.740 3.960 -1.045 0.000 0.291 515 G C 0.296 175.270 174.900 0.123 0.000 1.323 515 G CA -0.581 44.529 45.100 0.015 0.000 1.055 515 G HN 0.169 nan 8.290 nan 0.000 0.520 516 R N -1.423 119.118 120.500 0.068 0.000 2.119 516 R HA 0.137 3.850 4.340 -1.045 0.000 0.222 516 R C 0.113 176.189 176.300 -0.375 0.000 1.088 516 R CA 0.854 56.891 56.100 -0.104 0.000 0.984 516 R CB -0.092 30.125 30.300 -0.138 0.000 0.884 516 R HN 0.373 nan 8.270 nan 0.000 0.447 517 F N 1.084 121.045 119.950 0.018 0.000 2.597 517 F HA 0.259 4.158 4.527 -1.047 0.000 0.336 517 F C -1.058 174.782 175.800 0.066 0.000 1.432 517 F CA -1.071 56.732 58.000 -0.329 0.000 1.120 517 F CB 0.877 39.535 39.000 -0.570 0.000 1.253 517 F HN -0.225 nan 8.300 nan 0.000 0.546 518 D N 1.553 122.192 120.400 0.399 0.000 2.339 518 D HA 0.157 4.170 4.640 -1.045 0.000 0.241 518 D C 0.219 176.845 176.300 0.542 0.000 1.183 518 D CA 0.050 54.338 54.000 0.480 0.000 0.859 518 D CB 1.882 43.010 40.800 0.546 0.000 1.067 518 D HN -0.052 nan 8.370 nan 0.000 0.484 519 V N 3.912 124.097 119.914 0.452 0.000 2.493 519 V HA -0.057 3.436 4.120 -1.045 0.000 0.292 519 V C 1.116 177.291 176.094 0.135 0.000 1.016 519 V CA -0.165 62.275 62.300 0.233 0.000 1.097 519 V CB 0.004 31.910 31.823 0.138 0.000 0.947 519 V HN 0.384 nan 8.190 nan 0.000 0.479 520 L N 8.559 129.756 121.223 -0.043 0.000 2.483 520 L HA 0.222 3.935 4.340 -1.045 0.000 0.275 520 L C -1.589 175.090 176.870 -0.318 0.000 1.220 520 L CA -1.206 53.451 54.840 -0.306 0.000 0.833 520 L CB 0.543 42.506 42.059 -0.159 0.000 1.102 520 L HN 0.482 nan 8.230 nan 0.000 0.490 521 P HA 0.141 nan 4.420 nan 0.000 0.274 521 P C -0.754 176.451 177.300 -0.158 0.000 1.231 521 P CA -0.384 62.477 63.100 -0.397 0.000 0.790 521 P CB 0.883 32.148 31.700 -0.725 0.000 0.951 522 L N 1.976 123.204 121.223 0.009 0.000 2.436 522 L HA 0.367 4.080 4.340 -1.045 0.000 0.265 522 L C 0.681 177.621 176.870 0.116 0.000 1.168 522 L CA -0.448 54.467 54.840 0.125 0.000 0.815 522 L CB 0.299 42.488 42.059 0.216 0.000 1.109 522 L HN 0.298 nan 8.230 nan 0.000 0.462 523 L N 4.304 125.625 121.223 0.164 0.000 2.504 523 L HA 0.498 4.210 4.340 -1.045 0.000 0.265 523 L C -1.354 175.511 176.870 -0.008 0.000 0.975 523 L CA -0.325 54.534 54.840 0.032 0.000 0.864 523 L CB 1.312 43.415 42.059 0.074 0.000 1.212 523 L HN 0.515 nan 8.230 nan 0.000 0.416 524 L N 4.084 125.283 121.223 -0.041 0.000 2.365 524 L HA 0.543 4.256 4.340 -1.045 0.000 0.273 524 L C -0.543 176.213 176.870 -0.190 0.000 1.000 524 L CA -0.538 54.271 54.840 -0.052 0.000 0.819 524 L CB 2.179 44.249 42.059 0.018 0.000 1.284 524 L HN 0.561 nan 8.230 nan 0.000 0.418 525 Q N 2.541 122.234 119.800 -0.178 0.000 2.333 525 Q HA 0.720 4.433 4.340 -1.045 0.000 0.268 525 Q C -1.418 174.433 176.000 -0.248 0.000 1.007 525 Q CA -0.601 55.061 55.803 -0.236 0.000 0.810 525 Q CB 2.109 30.762 28.738 -0.141 0.000 1.264 525 Q HN 0.783 nan 8.270 nan 0.000 0.452 526 A N 4.379 126.995 122.820 -0.341 0.000 2.303 526 A HA 0.373 4.066 4.320 -1.045 0.000 0.320 526 A C 0.005 177.111 177.584 -0.798 0.000 1.192 526 A CA -0.462 51.173 52.037 -0.669 0.000 0.821 526 A CB 0.532 19.365 19.000 -0.279 0.000 1.188 526 A HN 1.135 nan 8.150 nan 0.000 0.492 527 N N 1.079 118.926 118.700 -1.422 0.000 2.725 527 N HA -0.247 3.866 4.740 -1.045 0.000 0.251 527 N C 0.984 176.262 175.510 -0.387 0.000 1.031 527 N CA 1.158 53.775 53.050 -0.721 0.000 0.720 527 N CB -0.588 37.684 38.487 -0.358 0.000 0.930 527 N HN 2.060 nan 8.380 nan 0.000 0.543 528 G N -1.231 107.366 108.800 -0.338 0.000 2.179 528 G HA2 -0.305 3.028 3.960 -1.045 0.000 0.260 528 G HA3 -0.305 3.028 3.960 -1.045 0.000 0.260 528 G C 0.118 174.934 174.900 -0.141 0.000 0.977 528 G CA 0.463 45.435 45.100 -0.213 0.000 0.641 528 G HN 0.566 nan 8.290 nan 0.000 0.533 529 N N 1.222 119.794 118.700 -0.213 0.000 2.445 529 N HA 0.316 4.429 4.740 -1.045 0.000 0.264 529 N C -0.147 175.240 175.510 -0.204 0.000 1.227 529 N CA -0.489 52.476 53.050 -0.142 0.000 0.963 529 N CB 0.361 38.769 38.487 -0.131 0.000 1.188 529 N HN 0.136 nan 8.380 nan 0.000 0.491 530 D N 1.488 121.833 120.400 -0.092 0.000 2.601 530 D HA 0.010 4.023 4.640 -1.045 0.000 0.229 530 D C -1.816 174.301 176.300 -0.306 0.000 1.140 530 D CA 0.058 53.966 54.000 -0.154 0.000 0.862 530 D CB 0.167 41.003 40.800 0.059 0.000 1.192 530 D HN 0.299 nan 8.370 nan 0.000 0.480 531 P HA 0.325 nan 4.420 nan 0.000 0.280 531 P C -0.831 176.251 177.300 -0.363 0.000 1.272 531 P CA -0.526 62.250 63.100 -0.540 0.000 0.819 531 P CB 1.403 32.440 31.700 -1.106 0.000 1.122 532 E N -0.136 119.889 120.200 -0.292 0.000 2.340 532 E HA 0.437 4.160 4.350 -1.045 0.000 0.273 532 E C -0.691 175.573 176.600 -0.560 0.000 0.891 532 E CA -0.881 55.296 56.400 -0.371 0.000 0.757 532 E CB 1.806 31.294 29.700 -0.353 0.000 1.231 532 E HN 0.305 nan 8.360 nan 0.000 0.439 533 L N 2.151 122.954 121.223 -0.701 0.000 2.395 533 L HA 0.462 4.175 4.340 -1.045 0.000 0.269 533 L C -0.821 175.356 176.870 -1.155 0.000 1.133 533 L CA -0.044 54.409 54.840 -0.645 0.000 0.812 533 L CB 0.185 42.011 42.059 -0.388 0.000 1.125 533 L HN 0.472 nan 8.230 nan 0.000 0.452 534 F N 0.518 120.282 119.950 -0.311 0.000 2.651 534 F HA 0.203 3.239 4.527 -2.484 0.000 0.329 534 F C -0.142 175.493 175.800 -0.274 0.000 1.186 534 F CA -0.629 57.077 58.000 -0.490 0.000 1.046 534 F CB 1.387 39.777 39.000 -1.017 0.000 1.296 534 F HN 0.386 nan 8.300 nan 0.000 0.497 535 Q N 4.418 124.207 119.800 -0.019 0.000 2.286 535 Q HA 0.386 4.098 4.340 -1.045 0.000 0.267 535 Q C -0.376 175.767 176.000 0.239 0.000 1.028 535 Q CA -0.269 55.599 55.803 0.108 0.000 0.901 535 Q CB 0.677 29.498 28.738 0.137 0.000 1.183 535 Q HN 0.704 nan 8.270 nan 0.000 0.392 536 I N 7.504 128.240 120.570 0.275 0.000 2.683 536 I HA 0.021 3.564 4.170 -1.045 0.000 0.286 536 I C -1.889 174.358 176.117 0.217 0.000 1.175 536 I CA -1.702 59.780 61.300 0.304 0.000 1.429 536 I CB 0.315 38.407 38.000 0.154 0.000 1.371 536 I HN 0.531 nan 8.210 nan 0.000 0.569 537 P HA -0.001 nan 4.420 nan 0.000 0.260 537 P C -2.026 175.337 177.300 0.106 0.000 1.185 537 P CA -0.775 62.414 63.100 0.147 0.000 0.763 537 P CB 0.065 31.836 31.700 0.119 0.000 0.776 538 P HA -0.214 nan 4.420 nan 0.000 0.217 538 P C 1.306 178.650 177.300 0.072 0.000 1.148 538 P CA 1.379 64.534 63.100 0.093 0.000 0.828 538 P CB -0.213 31.543 31.700 0.094 0.000 0.783 539 E N -0.069 120.169 120.200 0.063 0.000 2.472 539 E HA -0.105 3.618 4.350 -1.045 0.000 0.200 539 E C 1.494 178.119 176.600 0.042 0.000 1.046 539 E CA 0.815 57.243 56.400 0.048 0.000 0.871 539 E CB -0.874 28.851 29.700 0.041 0.000 0.806 539 E HN 0.329 nan 8.360 nan 0.000 0.533 540 L N 0.832 122.082 121.223 0.046 0.000 2.529 540 L HA 0.136 3.848 4.340 -1.045 0.000 0.223 540 L C 0.556 177.451 176.870 0.041 0.000 1.113 540 L CA -0.024 54.838 54.840 0.036 0.000 0.861 540 L CB 0.664 42.737 42.059 0.023 0.000 1.012 540 L HN -0.097 nan 8.230 nan 0.000 0.461 541 V N 2.273 122.217 119.914 0.050 0.000 2.270 541 V HA 0.129 3.622 4.120 -1.045 0.000 0.263 541 V C 0.097 176.232 176.094 0.069 0.000 1.066 541 V CA -0.570 61.762 62.300 0.054 0.000 0.857 541 V CB 1.061 32.914 31.823 0.050 0.000 1.099 541 V HN 0.069 nan 8.190 nan 0.000 0.476 542 L N 5.427 126.692 121.223 0.071 0.000 2.500 542 L HA 0.313 4.025 4.340 -1.045 0.000 0.272 542 L C 0.258 177.172 176.870 0.074 0.000 1.149 542 L CA 0.880 55.753 54.840 0.055 0.000 0.897 542 L CB -0.051 42.033 42.059 0.043 0.000 1.178 542 L HN 0.627 nan 8.230 nan 0.000 0.473 543 E N 3.665 123.892 120.200 0.045 0.000 2.256 543 E HA 0.539 4.262 4.350 -1.045 0.000 0.267 543 E C -1.344 175.224 176.600 -0.054 0.000 0.892 543 E CA -1.000 55.435 56.400 0.057 0.000 0.775 543 E CB 2.500 32.264 29.700 0.106 0.000 1.207 543 E HN 0.377 nan 8.360 nan 0.000 0.420 544 V N 3.641 123.491 119.914 -0.106 0.000 2.350 544 V HA 0.279 3.772 4.120 -1.045 0.000 0.285 544 V C -2.401 173.653 176.094 -0.067 0.000 1.014 544 V CA -2.127 60.041 62.300 -0.220 0.000 0.831 544 V CB 1.351 32.765 31.823 -0.682 0.000 1.000 544 V HN 0.525 nan 8.190 nan 0.000 0.433 545 P HA 0.235 nan 4.420 nan 0.000 0.271 545 P C -0.637 176.692 177.300 0.048 0.000 1.220 545 P CA -0.152 62.941 63.100 -0.011 0.000 0.768 545 P CB 0.440 32.133 31.700 -0.011 0.000 0.848 546 I N 4.898 125.539 120.570 0.119 0.000 2.315 546 I HA 0.321 3.864 4.170 -1.045 0.000 0.291 546 I C 1.050 177.323 176.117 0.260 0.000 1.006 546 I CA -0.219 61.208 61.300 0.212 0.000 1.265 546 I CB 0.167 38.361 38.000 0.323 0.000 1.387 546 I HN 0.452 nan 8.210 nan 0.000 0.475 547 R N 5.414 126.018 120.500 0.173 0.000 2.855 547 R HA 0.522 4.235 4.340 -1.045 0.000 0.266 547 R C -1.253 175.025 176.300 -0.037 0.000 1.034 547 R CA -0.710 55.495 56.100 0.175 0.000 0.944 547 R CB 2.206 32.612 30.300 0.177 0.000 1.219 547 R HN 0.542 nan 8.270 nan 0.000 0.474 548 H N 1.250 120.191 119.070 -0.214 0.000 2.492 548 H HA 0.297 4.226 4.556 -1.045 0.000 0.345 548 H C -1.717 173.364 175.328 -0.411 0.000 1.136 548 H CA -1.967 53.821 56.048 -0.433 0.000 1.202 548 H CB 2.453 31.878 29.762 -0.562 0.000 1.524 548 H HN 0.339 nan 8.280 nan 0.000 0.506 549 P HA -0.109 nan 4.420 nan 0.000 0.216 549 P C 0.521 177.566 177.300 -0.425 0.000 1.150 549 P CA 1.405 63.915 63.100 -0.984 0.000 0.837 549 P CB 0.752 31.742 31.700 -1.184 0.000 0.786 550 K N -1.612 118.644 120.400 -0.241 0.000 2.329 550 K HA 0.155 3.848 4.320 -1.045 0.000 0.198 550 K C 0.712 177.081 176.600 -0.386 0.000 1.085 550 K CA 0.137 56.195 56.287 -0.382 0.000 0.961 550 K CB 0.116 32.231 32.500 -0.641 0.000 0.971 550 K HN 0.123 nan 8.250 nan 0.000 0.502 551 F N 2.866 122.673 119.950 -0.238 0.000 2.462 551 F HA 0.050 3.950 4.527 -1.046 0.000 0.354 551 F C 1.194 176.727 175.800 -0.444 0.000 1.192 551 F CA -0.783 56.856 58.000 -0.603 0.000 1.173 551 F CB 0.500 38.727 39.000 -1.289 0.000 1.402 551 F HN -0.006 nan 8.300 nan 0.000 0.595 552 D N 4.215 124.591 120.400 -0.041 0.000 2.170 552 D HA -0.260 3.753 4.640 -1.045 0.000 0.193 552 D C 2.086 178.444 176.300 0.096 0.000 1.004 552 D CA 1.829 55.860 54.000 0.051 0.000 0.860 552 D CB -0.048 40.815 40.800 0.106 0.000 0.931 552 D HN 0.673 nan 8.370 nan 0.000 0.448 553 W N -0.344 121.066 121.300 0.183 0.000 2.392 553 W HA -0.150 3.883 4.660 -1.046 0.000 0.279 553 W C 1.882 178.486 176.519 0.142 0.000 1.225 553 W CA -0.134 57.281 57.345 0.117 0.000 1.233 553 W CB -1.539 27.944 29.460 0.038 0.000 1.122 553 W HN -0.065 nan 8.180 nan 0.000 0.561 554 F N 3.549 123.293 119.950 -0.344 0.000 2.063 554 F HA -0.388 3.512 4.527 -1.046 0.000 0.298 554 F C 2.949 178.793 175.800 0.074 0.000 1.105 554 F CA 3.762 61.645 58.000 -0.195 0.000 1.215 554 F CB -0.522 38.321 39.000 -0.262 0.000 0.972 554 F HN -0.108 nan 8.300 nan 0.000 0.483 555 K N -0.143 120.439 120.400 0.304 0.000 2.127 555 K HA -0.305 3.387 4.320 -1.045 0.000 0.212 555 K C 1.431 178.115 176.600 0.141 0.000 1.050 555 K CA 2.306 58.722 56.287 0.214 0.000 0.929 555 K CB -0.702 31.896 32.500 0.163 0.000 0.715 555 K HN 0.225 nan 8.250 nan 0.000 0.457 556 D N 0.564 121.048 120.400 0.140 0.000 2.363 556 D HA 0.033 4.046 4.640 -1.045 0.000 0.226 556 D C 1.491 177.830 176.300 0.064 0.000 1.020 556 D CA 0.311 54.372 54.000 0.102 0.000 0.892 556 D CB 0.066 40.931 40.800 0.108 0.000 0.900 556 D HN 0.305 nan 8.370 nan 0.000 0.531 557 L N -0.727 120.512 121.223 0.025 0.000 2.465 557 L HA 0.069 3.782 4.340 -1.045 0.000 0.224 557 L C 1.700 178.594 176.870 0.040 0.000 1.145 557 L CA 0.673 55.500 54.840 -0.021 0.000 0.834 557 L CB -0.238 41.720 42.059 -0.167 0.000 0.944 557 L HN 0.099 nan 8.230 nan 0.000 0.451 558 G N 0.287 109.124 108.800 0.063 0.000 2.147 558 G HA2 -0.273 3.060 3.960 -1.045 0.000 0.244 558 G HA3 -0.273 3.060 3.960 -1.045 0.000 0.244 558 G C 0.103 175.066 174.900 0.103 0.000 1.005 558 G CA -0.064 45.095 45.100 0.099 0.000 0.713 558 G HN 0.244 nan 8.290 nan 0.000 0.515 559 L N -0.192 121.053 121.223 0.037 0.000 2.375 559 L HA 0.734 4.447 4.340 -1.045 0.000 0.271 559 L C 0.701 177.434 176.870 -0.228 0.000 1.107 559 L CA -0.382 54.425 54.840 -0.054 0.000 0.806 559 L CB 1.242 43.277 42.059 -0.040 0.000 1.146 559 L HN 0.453 nan 8.230 nan 0.000 0.447 560 K N 0.816 120.869 120.400 -0.579 0.000 2.522 560 K HA 0.563 4.256 4.320 -1.045 0.000 0.275 560 K C -1.872 174.818 176.600 0.150 0.000 1.006 560 K CA -1.059 55.086 56.287 -0.237 0.000 0.890 560 K CB 2.408 34.702 32.500 -0.344 0.000 1.475 560 K HN 0.561 nan 8.250 nan 0.000 0.441 561 W N 1.847 123.194 121.300 0.078 0.000 3.118 561 W HA 0.330 4.366 4.660 -1.040 0.000 0.328 561 W C -1.224 175.440 176.519 0.241 0.000 1.239 561 W CA -0.898 56.583 57.345 0.227 0.000 1.176 561 W CB 1.748 31.247 29.460 0.065 0.000 1.433 561 W HN 0.713 nan 8.180 nan 0.000 0.562 562 Y N 0.532 120.837 120.300 0.008 0.000 2.336 562 Y HA 0.486 4.413 4.550 -1.039 0.000 0.331 562 Y C 1.069 177.223 175.900 0.423 0.000 1.211 562 Y CA 0.302 58.447 58.100 0.076 0.000 1.346 562 Y CB 0.233 38.586 38.460 -0.177 0.000 1.271 562 Y HN 0.455 nan 8.280 nan 0.000 0.538 563 G N 2.162 111.217 108.800 0.424 0.000 2.511 563 G HA2 -0.039 3.294 3.960 -1.045 0.000 0.217 563 G HA3 -0.039 3.294 3.960 -1.045 0.000 0.217 563 G C -0.211 174.997 174.900 0.513 0.000 1.133 563 G CA 0.042 45.457 45.100 0.524 0.000 0.792 563 G HN 0.549 nan 8.290 nan 0.000 0.539 564 L N 2.422 123.907 121.223 0.437 0.000 2.277 564 L HA 0.476 4.189 4.340 -1.045 0.000 0.284 564 L C -2.321 174.651 176.870 0.170 0.000 1.028 564 L CA -2.515 52.474 54.840 0.247 0.000 0.835 564 L CB 1.857 44.015 42.059 0.165 0.000 1.215 564 L HN -0.171 nan 8.230 nan 0.000 0.425 565 P HA 0.416 nan 4.420 nan 0.000 0.293 565 P C -1.483 175.712 177.300 -0.174 0.000 1.300 565 P CA -0.450 62.490 63.100 -0.268 0.000 0.792 565 P CB 1.664 32.864 31.700 -0.834 0.000 0.925 566 A N 3.925 126.642 122.820 -0.173 0.000 2.679 566 A HA 0.396 4.089 4.320 -1.045 0.000 0.288 566 A C -0.536 176.803 177.584 -0.408 0.000 1.160 566 A CA -0.583 51.290 52.037 -0.272 0.000 0.763 566 A CB 0.640 19.501 19.000 -0.231 0.000 1.270 566 A HN 0.281 nan 8.150 nan 0.000 0.417 567 V N 2.679 122.177 119.914 -0.693 0.000 2.572 567 V HA 0.322 3.815 4.120 -1.045 0.000 0.291 567 V C 1.317 176.903 176.094 -0.846 0.000 1.039 567 V CA 1.245 63.063 62.300 -0.803 0.000 1.055 567 V CB 1.279 32.480 31.823 -1.037 0.000 0.969 567 V HN 1.175 nan 8.190 nan 0.000 0.482 568 S N 1.925 117.355 115.700 -0.449 0.000 2.787 568 S HA 0.065 3.908 4.470 -1.045 0.000 0.255 568 S C 0.728 175.245 174.600 -0.138 0.000 1.051 568 S CA 0.106 58.139 58.200 -0.277 0.000 1.124 568 S CB -0.346 62.737 63.200 -0.195 0.000 1.104 568 S HN 0.898 nan 8.310 nan 0.000 0.623 569 N N 0.396 119.015 118.700 -0.135 0.000 2.187 569 N HA 0.315 4.428 4.740 -1.045 0.000 0.212 569 N C 0.271 175.782 175.510 0.002 0.000 1.152 569 N CA -0.524 52.487 53.050 -0.065 0.000 0.872 569 N CB 0.135 38.565 38.487 -0.095 0.000 1.025 569 N HN 0.281 nan 8.380 nan 0.000 0.514 570 M N 1.193 120.815 119.600 0.038 0.000 2.283 570 M HA 0.309 4.162 4.480 -1.045 0.000 0.314 570 M C -0.575 175.845 176.300 0.199 0.000 1.153 570 M CA -0.728 54.651 55.300 0.131 0.000 1.084 570 M CB 2.012 34.725 32.600 0.189 0.000 1.468 570 M HN 0.118 nan 8.290 nan 0.000 0.474 571 L N 2.497 123.831 121.223 0.185 0.000 2.313 571 L HA 0.482 4.195 4.340 -1.045 0.000 0.283 571 L C -1.329 175.647 176.870 0.176 0.000 1.013 571 L CA -0.924 54.015 54.840 0.165 0.000 0.816 571 L CB 1.217 43.325 42.059 0.081 0.000 1.236 571 L HN 0.541 nan 8.230 nan 0.000 0.419 572 L N 5.149 126.483 121.223 0.184 0.000 2.265 572 L HA 0.402 4.115 4.340 -1.045 0.000 0.288 572 L C -0.369 176.521 176.870 0.033 0.000 1.058 572 L CA 0.382 55.215 54.840 -0.011 0.000 0.809 572 L CB 1.110 43.170 42.059 0.003 0.000 1.179 572 L HN 0.693 nan 8.230 nan 0.000 0.429 573 E N 6.077 126.216 120.200 -0.102 0.000 2.114 573 E HA 0.443 4.166 4.350 -1.045 0.000 0.266 573 E C -1.417 175.119 176.600 -0.106 0.000 0.896 573 E CA -0.447 55.909 56.400 -0.074 0.000 0.750 573 E CB 0.825 30.480 29.700 -0.075 0.000 1.121 573 E HN 0.693 nan 8.360 nan 0.000 0.413 574 I N 2.724 123.236 120.570 -0.096 0.000 2.465 574 I HA 0.319 3.862 4.170 -1.045 0.000 0.291 574 I C 0.831 176.752 176.117 -0.327 0.000 1.014 574 I CA -0.764 60.372 61.300 -0.273 0.000 1.093 574 I CB 2.072 39.870 38.000 -0.337 0.000 1.267 574 I HN 0.797 nan 8.210 nan 0.000 0.431 575 G N 4.313 112.906 108.800 -0.345 0.000 2.421 575 G HA2 -0.123 3.210 3.960 -1.045 0.000 0.300 575 G HA3 -0.123 3.210 3.960 -1.045 0.000 0.300 575 G C 1.074 176.020 174.900 0.076 0.000 0.974 575 G CA 0.854 45.928 45.100 -0.043 0.000 1.062 575 G HN 1.574 nan 8.290 nan 0.000 0.514 576 G N -1.991 106.817 108.800 0.012 0.000 2.196 576 G HA2 -0.287 3.046 3.960 -1.045 0.000 0.268 576 G HA3 -0.287 3.046 3.960 -1.045 0.000 0.268 576 G C 0.491 175.357 174.900 -0.057 0.000 0.975 576 G CA 0.792 45.900 45.100 0.013 0.000 0.648 576 G HN 1.305 nan 8.290 nan 0.000 0.538 577 L N 0.318 121.444 121.223 -0.161 0.000 2.334 577 L HA 0.549 4.262 4.340 -1.045 0.000 0.277 577 L C 0.318 176.919 176.870 -0.448 0.000 1.075 577 L CA -0.571 54.047 54.840 -0.370 0.000 0.804 577 L CB 1.271 42.986 42.059 -0.574 0.000 1.174 577 L HN 0.107 nan 8.230 nan 0.000 0.438 578 E N 3.218 123.103 120.200 -0.526 0.000 2.141 578 E HA 0.293 4.015 4.350 -1.045 0.000 0.259 578 E C -1.419 174.925 176.600 -0.426 0.000 0.883 578 E CA -0.353 55.839 56.400 -0.346 0.000 0.744 578 E CB 1.221 30.818 29.700 -0.173 0.000 1.150 578 E HN 0.298 nan 8.360 nan 0.000 0.420 579 F N 1.973 121.897 119.950 -0.043 0.000 2.334 579 F HA 0.064 3.962 4.527 -1.048 0.000 0.365 579 F C 1.697 177.532 175.800 0.058 0.000 1.124 579 F CA -0.420 57.578 58.000 -0.004 0.000 1.166 579 F CB 0.907 39.885 39.000 -0.038 0.000 1.355 579 F HN 0.382 nan 8.300 nan 0.000 0.532 580 S N 1.415 117.230 115.700 0.191 0.000 2.481 580 S HA 0.240 4.083 4.470 -1.045 0.000 0.231 580 S C 0.779 175.501 174.600 0.203 0.000 0.996 580 S CA 0.233 58.531 58.200 0.163 0.000 0.942 580 S CB 0.053 63.324 63.200 0.119 0.000 0.768 580 S HN 0.494 nan 8.310 nan 0.000 0.520 581 A N 0.823 123.815 122.820 0.287 0.000 2.332 581 A HA 0.613 4.306 4.320 -1.045 0.000 0.300 581 A C -0.110 177.720 177.584 0.411 0.000 1.153 581 A CA -0.604 51.629 52.037 0.326 0.000 0.764 581 A CB 0.530 19.731 19.000 0.335 0.000 1.174 581 A HN 1.046 nan 8.150 nan 0.000 0.467 582 C N 0.606 120.102 119.300 0.327 0.000 3.104 582 C HA 0.425 4.257 4.460 -1.045 0.000 0.206 582 C C -2.828 172.321 174.990 0.265 0.000 1.429 582 C CA -1.636 57.550 59.018 0.281 0.000 1.105 582 C CB -0.519 27.410 27.740 0.316 0.000 1.904 582 C HN 0.574 nan 8.230 nan 0.000 0.626 583 P HA 0.259 nan 4.420 nan 0.000 0.264 583 P C -0.545 176.791 177.300 0.059 0.000 1.183 583 P CA 1.120 64.195 63.100 -0.041 0.000 0.763 583 P CB 0.316 31.967 31.700 -0.080 0.000 0.807 584 F N -0.196 119.710 119.950 -0.072 0.000 2.603 584 F HA 0.791 4.692 4.527 -1.043 0.000 0.317 584 F C -0.579 175.138 175.800 -0.140 0.000 1.066 584 F CA -1.263 56.695 58.000 -0.069 0.000 0.941 584 F CB 1.600 40.437 39.000 -0.272 0.000 1.291 584 F HN 0.399 nan 8.300 nan 0.000 0.472 585 S N 0.095 115.882 115.700 0.144 0.000 2.556 585 S HA 0.937 4.780 4.470 -1.045 0.000 0.271 585 S C -0.763 173.811 174.600 -0.043 0.000 1.135 585 S CA -0.102 58.119 58.200 0.035 0.000 0.858 585 S CB 1.534 64.828 63.200 0.158 0.000 1.114 585 S HN 1.546 nan 8.310 nan 0.000 0.468 586 G N 0.224 108.960 108.800 -0.107 0.000 3.341 586 G HA2 0.713 4.046 3.960 -1.045 0.000 0.186 586 G HA3 0.713 4.046 3.960 -1.045 0.000 0.186 586 G C -1.409 173.511 174.900 0.035 0.000 1.430 586 G CA 0.005 44.969 45.100 -0.227 0.000 0.961 586 G HN 1.415 nan 8.290 nan 0.000 0.767 587 W N -1.497 119.803 121.300 0.001 0.000 3.059 587 W HA 0.747 4.779 4.660 -1.047 0.000 0.329 587 W C -1.853 174.673 176.519 0.013 0.000 1.246 587 W CA -2.295 55.059 57.345 0.015 0.000 1.190 587 W CB 0.208 29.725 29.460 0.094 0.000 1.423 587 W HN 0.459 nan 8.180 nan 0.000 0.571 588 Y N 2.742 123.252 120.300 0.350 0.000 2.336 588 Y HA 0.341 4.263 4.550 -1.045 0.000 0.331 588 Y C 1.038 177.014 175.900 0.127 0.000 1.211 588 Y CA -0.773 57.398 58.100 0.118 0.000 1.346 588 Y CB 1.323 39.746 38.460 -0.060 0.000 1.271 588 Y HN 0.448 nan 8.280 nan 0.000 0.538 589 M N 2.312 122.068 119.600 0.260 0.000 2.233 589 M HA 0.291 4.143 4.480 -1.045 0.000 0.355 589 M C 1.121 177.414 176.300 -0.012 0.000 1.191 589 M CA 0.052 55.430 55.300 0.130 0.000 1.101 589 M CB 1.193 33.853 32.600 0.100 0.000 1.592 589 M HN 0.902 nan 8.290 nan 0.000 0.461 590 G N 1.273 110.031 108.800 -0.070 0.000 2.475 590 G HA2 -0.250 3.083 3.960 -1.045 0.000 0.220 590 G HA3 -0.250 3.083 3.960 -1.045 0.000 0.220 590 G C 1.160 175.923 174.900 -0.228 0.000 1.125 590 G CA 1.533 46.513 45.100 -0.199 0.000 0.755 590 G HN 0.880 nan 8.290 nan 0.000 0.565 591 T N -0.764 113.699 114.554 -0.151 0.000 2.915 591 T HA -0.026 3.697 4.350 -1.045 0.000 0.269 591 T C 1.923 176.477 174.700 -0.245 0.000 1.071 591 T CA 1.530 63.505 62.100 -0.209 0.000 1.132 591 T CB -0.233 68.490 68.868 -0.243 0.000 0.878 591 T HN 0.515 nan 8.240 nan 0.000 0.479 592 E N 1.111 121.177 120.200 -0.224 0.000 2.058 592 E HA -0.056 3.666 4.350 -1.045 0.000 0.194 592 E C 2.115 178.439 176.600 -0.460 0.000 0.997 592 E CA 1.457 57.730 56.400 -0.212 0.000 0.801 592 E CB -0.392 29.316 29.700 0.014 0.000 0.746 592 E HN 0.552 nan 8.360 nan 0.000 0.450 593 I N 0.659 120.749 120.570 -0.800 0.000 2.193 593 I HA -0.138 3.404 4.170 -1.045 0.000 0.240 593 I C 2.567 178.114 176.117 -0.949 0.000 1.084 593 I CA 1.329 61.871 61.300 -1.264 0.000 1.365 593 I CB -0.448 36.689 38.000 -1.439 0.000 1.064 593 I HN 0.133 nan 8.210 nan 0.000 0.410 594 G N 0.076 108.562 108.800 -0.524 0.000 2.394 594 G HA2 -0.089 3.243 3.960 -1.045 0.000 0.215 594 G HA3 -0.089 3.243 3.960 -1.045 0.000 0.215 594 G C 1.615 176.464 174.900 -0.085 0.000 1.165 594 G CA 0.874 45.865 45.100 -0.181 0.000 0.784 594 G HN 0.235 nan 8.290 nan 0.000 0.535 595 V N 0.275 120.092 119.914 -0.162 0.000 2.374 595 V HA 0.079 3.571 4.120 -1.045 0.000 0.241 595 V C 2.792 178.827 176.094 -0.098 0.000 1.034 595 V CA 0.998 63.231 62.300 -0.113 0.000 1.037 595 V CB -0.266 31.464 31.823 -0.155 0.000 0.682 595 V HN 0.101 nan 8.190 nan 0.000 0.463 596 R N 0.504 120.913 120.500 -0.152 0.000 2.048 596 R HA 0.020 3.732 4.340 -1.045 0.000 0.224 596 R C 2.036 178.290 176.300 -0.077 0.000 1.163 596 R CA 1.294 57.330 56.100 -0.106 0.000 0.956 596 R CB -1.167 29.065 30.300 -0.112 0.000 0.849 596 R HN 0.426 nan 8.270 nan 0.000 0.435 597 D N 0.417 120.689 120.400 -0.214 0.000 2.116 597 D HA -0.182 3.831 4.640 -1.045 0.000 0.193 597 D C 2.087 178.386 176.300 -0.002 0.000 0.998 597 D CA 1.483 55.348 54.000 -0.226 0.000 0.836 597 D CB -0.352 39.938 40.800 -0.850 0.000 0.951 597 D HN 0.355 nan 8.370 nan 0.000 0.449 598 Y N -0.531 119.708 120.300 -0.101 0.000 2.314 598 Y HA -0.034 3.889 4.550 -1.045 0.000 0.294 598 Y C 2.407 178.369 175.900 0.103 0.000 1.119 598 Y CA 0.240 58.362 58.100 0.037 0.000 1.179 598 Y CB 0.299 38.745 38.460 -0.024 0.000 1.025 598 Y HN 0.039 nan 8.280 nan 0.000 0.541 599 C N -1.169 118.250 119.300 0.198 0.000 3.188 599 C HA 0.156 3.988 4.460 -1.045 0.000 0.315 599 C C 0.187 175.226 174.990 0.082 0.000 1.285 599 C CA -0.761 58.336 59.018 0.132 0.000 1.729 599 C CB -0.574 27.218 27.740 0.087 0.000 2.257 599 C HN 0.234 nan 8.230 nan 0.000 0.645 600 D N 2.036 122.476 120.400 0.066 0.000 2.533 600 D HA -0.031 3.981 4.640 -1.045 0.000 0.236 600 D C 1.155 177.495 176.300 0.067 0.000 1.137 600 D CA 0.504 54.531 54.000 0.045 0.000 0.867 600 D CB 0.388 41.211 40.800 0.039 0.000 1.170 600 D HN 0.235 nan 8.370 nan 0.000 0.474 601 N N 0.705 119.432 118.700 0.045 0.000 2.094 601 N HA -0.172 3.941 4.740 -1.045 0.000 0.191 601 N C 0.942 176.484 175.510 0.052 0.000 1.023 601 N CA 1.202 54.282 53.050 0.050 0.000 0.857 601 N CB 0.030 38.539 38.487 0.036 0.000 1.013 601 N HN 0.395 nan 8.380 nan 0.000 0.426 602 S N 0.118 115.846 115.700 0.047 0.000 2.602 602 S HA 0.311 4.154 4.470 -1.045 0.000 0.246 602 S C 0.803 175.434 174.600 0.053 0.000 1.009 602 S CA -0.551 57.675 58.200 0.043 0.000 1.052 602 S CB 0.619 63.842 63.200 0.038 0.000 0.778 602 S HN 0.063 nan 8.310 nan 0.000 0.455 603 R N 0.140 120.686 120.500 0.077 0.000 2.721 603 R HA 0.380 4.093 4.340 -1.045 0.000 0.104 603 R C 0.485 176.841 176.300 0.093 0.000 1.052 603 R CA -0.472 55.696 56.100 0.113 0.000 0.852 603 R CB -0.906 29.511 30.300 0.195 0.000 0.799 603 R HN 0.327 nan 8.270 nan 0.000 0.373 604 Y N 1.712 122.129 120.300 0.196 0.000 2.516 604 Y HA 0.060 3.982 4.550 -1.047 0.000 0.291 604 Y C 0.725 176.716 175.900 0.152 0.000 1.131 604 Y CA 0.880 59.106 58.100 0.210 0.000 1.281 604 Y CB -0.104 38.569 38.460 0.356 0.000 1.013 604 Y HN 0.524 nan 8.280 nan 0.000 0.554 605 N N 1.211 120.065 118.700 0.256 0.000 2.714 605 N HA -0.226 3.887 4.740 -1.045 0.000 0.252 605 N C 0.509 176.115 175.510 0.161 0.000 1.014 605 N CA 0.431 53.582 53.050 0.169 0.000 0.735 605 N CB -1.006 37.549 38.487 0.113 0.000 0.924 605 N HN 0.622 nan 8.380 nan 0.000 0.540 606 I N -3.063 117.613 120.570 0.176 0.000 3.793 606 I HA 0.030 3.573 4.170 -1.045 0.000 0.315 606 I C 1.873 178.062 176.117 0.120 0.000 1.275 606 I CA -0.309 61.063 61.300 0.121 0.000 1.214 606 I CB -0.070 37.965 38.000 0.058 0.000 1.018 606 I HN 0.156 nan 8.210 nan 0.000 0.439 607 L N 1.194 122.511 121.223 0.158 0.000 1.970 607 L HA -0.195 3.518 4.340 -1.045 0.000 0.212 607 L C 2.757 179.788 176.870 0.269 0.000 1.071 607 L CA 1.817 56.785 54.840 0.213 0.000 0.751 607 L CB -0.663 41.512 42.059 0.193 0.000 0.889 607 L HN 0.324 nan 8.230 nan 0.000 0.432 608 E N -0.036 120.315 120.200 0.251 0.000 2.108 608 E HA -0.309 3.414 4.350 -1.045 0.000 0.203 608 E C 2.012 178.631 176.600 0.031 0.000 1.022 608 E CA 2.191 58.682 56.400 0.153 0.000 0.823 608 E CB -0.149 29.604 29.700 0.089 0.000 0.744 608 E HN 0.556 nan 8.360 nan 0.000 0.456 609 E N 0.094 120.311 120.200 0.029 0.000 2.072 609 E HA -0.122 3.600 4.350 -1.045 0.000 0.191 609 E C 2.202 178.766 176.600 -0.061 0.000 0.985 609 E CA 0.814 57.194 56.400 -0.034 0.000 0.801 609 E CB -0.178 29.507 29.700 -0.026 0.000 0.750 609 E HN 0.041 nan 8.360 nan 0.000 0.452 610 V N 1.184 121.103 119.914 0.009 0.000 2.295 610 V HA -0.254 3.238 4.120 -1.045 0.000 0.246 610 V C 2.251 178.366 176.094 0.035 0.000 1.049 610 V CA 1.854 64.181 62.300 0.044 0.000 1.024 610 V CB -0.838 31.068 31.823 0.139 0.000 0.648 610 V HN 0.371 nan 8.190 nan 0.000 0.447 611 A N -0.668 122.203 122.820 0.085 0.000 1.972 611 A HA -0.213 3.479 4.320 -1.045 0.000 0.219 611 A C 2.286 179.805 177.584 -0.109 0.000 1.169 611 A CA 1.698 53.780 52.037 0.074 0.000 0.635 611 A CB -0.416 18.733 19.000 0.248 0.000 0.810 611 A HN 0.526 nan 8.150 nan 0.000 0.446 612 K N -0.249 120.047 120.400 -0.173 0.000 2.032 612 K HA -0.145 3.548 4.320 -1.045 0.000 0.209 612 K C 1.929 178.328 176.600 -0.336 0.000 1.048 612 K CA 1.438 57.578 56.287 -0.246 0.000 0.927 612 K CB -0.159 32.208 32.500 -0.223 0.000 0.712 612 K HN 0.246 nan 8.250 nan 0.000 0.441 613 K N 0.487 120.603 120.400 -0.475 0.000 2.148 613 K HA -0.034 3.659 4.320 -1.045 0.000 0.204 613 K C 1.869 177.960 176.600 -0.848 0.000 1.050 613 K CA 1.068 56.805 56.287 -0.917 0.000 0.942 613 K CB -0.043 31.472 32.500 -1.642 0.000 0.724 613 K HN 0.238 nan 8.250 nan 0.000 0.446 614 M N 0.203 119.544 119.600 -0.432 0.000 2.659 614 M HA -0.073 3.780 4.480 -1.045 0.000 0.243 614 M C -0.440 175.756 176.300 -0.174 0.000 1.111 614 M CA 0.358 55.521 55.300 -0.228 0.000 1.070 614 M CB -0.256 32.301 32.600 -0.071 0.000 1.525 614 M HN 0.050 nan 8.290 nan 0.000 0.517 615 D N 1.545 121.818 120.400 -0.211 0.000 2.697 615 D HA -0.163 3.850 4.640 -1.045 0.000 0.235 615 D C -0.797 175.447 176.300 -0.093 0.000 1.167 615 D CA 0.447 54.354 54.000 -0.155 0.000 0.656 615 D CB -0.566 40.153 40.800 -0.136 0.000 1.025 615 D HN 0.309 nan 8.370 nan 0.000 0.419 616 L N -0.322 120.853 121.223 -0.080 0.000 2.448 616 L HA 0.416 4.129 4.340 -1.045 0.000 0.258 616 L C 0.841 177.668 176.870 -0.072 0.000 1.104 616 L CA -0.803 54.025 54.840 -0.020 0.000 0.800 616 L CB 0.620 42.722 42.059 0.072 0.000 1.241 616 L HN -0.016 nan 8.230 nan 0.000 0.472 617 D N 0.602 120.989 120.400 -0.021 0.000 2.393 617 D HA 0.209 4.222 4.640 -1.045 0.000 0.232 617 D C 0.523 176.733 176.300 -0.149 0.000 1.192 617 D CA 0.084 54.046 54.000 -0.064 0.000 0.882 617 D CB 0.702 41.502 40.800 0.001 0.000 1.038 617 D HN 0.330 nan 8.370 nan 0.000 0.499 618 M N 2.345 121.700 119.600 -0.410 0.000 2.563 618 M HA 0.107 3.960 4.480 -1.045 0.000 0.231 618 M C 1.477 177.563 176.300 -0.357 0.000 1.136 618 M CA 0.115 54.900 55.300 -0.859 0.000 1.026 618 M CB 0.288 32.254 32.600 -1.057 0.000 1.597 618 M HN 0.279 nan 8.290 nan 0.000 0.495 619 R N 1.622 122.038 120.500 -0.141 0.000 2.307 619 R HA 0.010 3.722 4.340 -1.045 0.000 0.199 619 R C -0.198 176.130 176.300 0.046 0.000 1.000 619 R CA 0.727 56.800 56.100 -0.045 0.000 1.023 619 R CB 0.056 30.335 30.300 -0.035 0.000 0.908 619 R HN 0.401 nan 8.270 nan 0.000 0.473 620 K N -1.641 118.841 120.400 0.136 0.000 2.542 620 K HA 0.184 3.877 4.320 -1.045 0.000 0.259 620 K C 0.352 177.126 176.600 0.291 0.000 0.932 620 K CA -0.517 55.873 56.287 0.173 0.000 0.820 620 K CB 1.439 34.005 32.500 0.110 0.000 1.345 620 K HN -0.191 nan 8.250 nan 0.000 0.432 621 T N -2.218 112.457 114.554 0.202 0.000 2.833 621 T HA -0.200 3.523 4.350 -1.045 0.000 0.269 621 T C 1.782 176.512 174.700 0.051 0.000 1.054 621 T CA 1.654 63.822 62.100 0.113 0.000 1.135 621 T CB -0.455 68.431 68.868 0.029 0.000 0.869 621 T HN 0.640 nan 8.240 nan 0.000 0.466 622 S N 1.897 117.641 115.700 0.073 0.000 2.603 622 S HA 0.009 3.852 4.470 -1.045 0.000 0.229 622 S C 1.960 176.601 174.600 0.067 0.000 0.972 622 S CA 0.514 58.742 58.200 0.047 0.000 0.935 622 S CB -0.801 62.423 63.200 0.040 0.000 0.769 622 S HN 0.724 nan 8.310 nan 0.000 0.536 623 S N 1.562 117.338 115.700 0.128 0.000 2.603 623 S HA 0.259 4.102 4.470 -1.045 0.000 0.220 623 S C 0.925 175.594 174.600 0.114 0.000 0.967 623 S CA -0.007 58.275 58.200 0.137 0.000 0.920 623 S CB -0.980 62.333 63.200 0.188 0.000 0.773 623 S HN 0.625 nan 8.310 nan 0.000 0.529 624 L N 0.829 122.073 121.223 0.035 0.000 3.717 624 L HA -0.188 3.525 4.340 -1.045 0.000 0.414 624 L C 1.688 178.531 176.870 -0.046 0.000 1.228 624 L CA 0.757 55.556 54.840 -0.069 0.000 0.918 624 L CB -2.550 39.490 42.059 -0.031 0.000 1.865 624 L HN 0.750 nan 8.230 nan 0.000 0.922 625 W N 0.268 121.579 121.300 0.019 0.000 2.358 625 W HA -0.152 3.881 4.660 -1.046 0.000 0.303 625 W C 1.746 178.281 176.519 0.027 0.000 1.208 625 W CA 1.354 58.711 57.345 0.020 0.000 1.274 625 W CB -0.735 28.729 29.460 0.007 0.000 1.138 625 W HN 0.260 nan 8.180 nan 0.000 0.515 626 K N 1.090 120.929 120.400 -0.936 0.000 2.063 626 K HA -0.188 3.505 4.320 -1.045 0.000 0.208 626 K C 1.487 177.942 176.600 -0.242 0.000 1.048 626 K CA 2.489 58.350 56.287 -0.709 0.000 0.928 626 K CB -0.395 31.563 32.500 -0.903 0.000 0.713 626 K HN 0.121 nan 8.250 nan 0.000 0.442 627 D N 0.501 120.778 120.400 -0.204 0.000 2.144 627 D HA -0.127 3.886 4.640 -1.045 0.000 0.200 627 D C 1.986 178.291 176.300 0.008 0.000 0.978 627 D CA 0.865 54.815 54.000 -0.084 0.000 0.833 627 D CB 0.008 40.763 40.800 -0.076 0.000 0.961 627 D HN 0.177 nan 8.370 nan 0.000 0.470 628 Q N 0.076 119.907 119.800 0.053 0.000 2.046 628 Q HA -0.086 3.627 4.340 -1.045 0.000 0.200 628 Q C 2.283 178.374 176.000 0.153 0.000 0.975 628 Q CA 1.299 57.169 55.803 0.113 0.000 0.836 628 Q CB -0.146 28.677 28.738 0.141 0.000 0.896 628 Q HN 0.315 nan 8.270 nan 0.000 0.428 629 A N 0.809 123.732 122.820 0.172 0.000 1.902 629 A HA -0.180 3.513 4.320 -1.045 0.000 0.217 629 A C 2.020 179.718 177.584 0.189 0.000 1.181 629 A CA 1.164 53.329 52.037 0.213 0.000 0.623 629 A CB -0.638 18.510 19.000 0.247 0.000 0.818 629 A HN 0.389 nan 8.150 nan 0.000 0.443 630 L N -0.154 121.138 121.223 0.115 0.000 2.083 630 L HA -0.108 3.605 4.340 -1.045 0.000 0.209 630 L C 2.280 179.210 176.870 0.100 0.000 1.083 630 L CA 1.753 56.646 54.840 0.088 0.000 0.752 630 L CB -0.390 41.677 42.059 0.014 0.000 0.899 630 L HN 0.141 nan 8.230 nan 0.000 0.433 631 V N 0.027 120.005 119.914 0.105 0.000 2.237 631 V HA -0.234 3.259 4.120 -1.045 0.000 0.245 631 V C 2.630 178.820 176.094 0.160 0.000 1.046 631 V CA 1.987 64.356 62.300 0.115 0.000 1.007 631 V CB -0.712 31.178 31.823 0.112 0.000 0.638 631 V HN 0.477 nan 8.190 nan 0.000 0.445 632 E N 0.030 120.374 120.200 0.240 0.000 2.070 632 E HA -0.248 3.475 4.350 -1.045 0.000 0.197 632 E C 2.168 178.937 176.600 0.281 0.000 1.004 632 E CA 1.701 58.316 56.400 0.359 0.000 0.805 632 E CB -0.471 29.522 29.700 0.488 0.000 0.744 632 E HN 0.579 nan 8.360 nan 0.000 0.451 633 I N 1.692 122.448 120.570 0.309 0.000 2.194 633 I HA -0.297 3.246 4.170 -1.045 0.000 0.246 633 I C 2.184 178.391 176.117 0.149 0.000 1.093 633 I CA 1.099 62.590 61.300 0.317 0.000 1.355 633 I CB -0.311 37.885 38.000 0.326 0.000 1.046 633 I HN 0.101 nan 8.210 nan 0.000 0.413 634 N N 0.494 119.254 118.700 0.100 0.000 2.376 634 N HA 0.011 4.124 4.740 -1.045 0.000 0.177 634 N C 1.960 177.470 175.510 -0.000 0.000 1.024 634 N CA 0.922 53.993 53.050 0.036 0.000 0.893 634 N CB 0.169 38.670 38.487 0.023 0.000 0.980 634 N HN 0.344 nan 8.380 nan 0.000 0.439 635 I N 1.376 121.933 120.570 -0.020 0.000 2.286 635 I HA -0.232 3.311 4.170 -1.045 0.000 0.248 635 I C 2.394 178.375 176.117 -0.227 0.000 1.115 635 I CA 0.825 62.048 61.300 -0.129 0.000 1.392 635 I CB -0.174 37.700 38.000 -0.209 0.000 1.065 635 I HN 0.055 nan 8.210 nan 0.000 0.418 636 A N 0.072 122.718 122.820 -0.290 0.000 1.930 636 A HA -0.100 3.593 4.320 -1.045 0.000 0.217 636 A C 2.418 179.956 177.584 -0.077 0.000 1.175 636 A CA 1.331 53.146 52.037 -0.370 0.000 0.627 636 A CB -0.710 17.806 19.000 -0.806 0.000 0.815 636 A HN 0.227 nan 8.150 nan 0.000 0.443 637 V N 0.121 120.035 119.914 -0.000 0.000 2.283 637 V HA -0.216 3.277 4.120 -1.045 0.000 0.243 637 V C 2.567 178.713 176.094 0.087 0.000 1.039 637 V CA 1.880 64.228 62.300 0.081 0.000 1.016 637 V CB -0.751 31.049 31.823 -0.037 0.000 0.650 637 V HN 0.575 nan 8.190 nan 0.000 0.449 638 L N -1.078 120.145 121.223 -0.001 0.000 2.042 638 L HA -0.252 3.461 4.340 -1.045 0.000 0.210 638 L C 2.518 179.452 176.870 0.107 0.000 1.076 638 L CA 2.182 57.035 54.840 0.022 0.000 0.749 638 L CB -0.822 41.238 42.059 0.001 0.000 0.893 638 L HN 0.414 nan 8.230 nan 0.000 0.432 639 Y N 0.478 120.741 120.300 -0.062 0.000 2.224 639 Y HA -0.237 3.686 4.550 -1.045 0.000 0.289 639 Y C 2.740 178.633 175.900 -0.012 0.000 1.146 639 Y CA 1.542 59.594 58.100 -0.079 0.000 1.182 639 Y CB -0.213 38.129 38.460 -0.196 0.000 0.983 639 Y HN 0.070 nan 8.280 nan 0.000 0.524 640 S N 0.008 115.718 115.700 0.017 0.000 2.348 640 S HA -0.155 3.688 4.470 -1.045 0.000 0.221 640 S C 1.778 176.364 174.600 -0.023 0.000 1.033 640 S CA 1.516 59.688 58.200 -0.046 0.000 1.010 640 S CB -0.708 62.554 63.200 0.104 0.000 0.891 640 S HN 0.435 nan 8.310 nan 0.000 0.442 641 F N 2.013 121.917 119.950 -0.076 0.000 2.134 641 F HA -0.102 3.797 4.527 -1.046 0.000 0.299 641 F C 2.624 178.373 175.800 -0.086 0.000 1.097 641 F CA 1.045 59.018 58.000 -0.046 0.000 1.264 641 F CB -0.700 38.301 39.000 0.002 0.000 1.001 641 F HN 0.218 nan 8.300 nan 0.000 0.479 642 Q N -0.342 119.504 119.800 0.077 0.000 1.967 642 Q HA -0.174 3.538 4.340 -1.045 0.000 0.202 642 Q C 2.394 178.324 176.000 -0.117 0.000 0.985 642 Q CA 2.053 57.843 55.803 -0.021 0.000 0.839 642 Q CB -0.589 28.138 28.738 -0.019 0.000 0.906 642 Q HN 0.218 nan 8.270 nan 0.000 0.423 643 S N 1.303 116.845 115.700 -0.263 0.000 2.400 643 S HA -0.193 3.650 4.470 -1.045 0.000 0.234 643 S C 1.024 175.505 174.600 -0.198 0.000 1.049 643 S CA 1.681 59.691 58.200 -0.316 0.000 1.039 643 S CB -0.328 62.505 63.200 -0.610 0.000 0.856 643 S HN 0.323 nan 8.310 nan 0.000 0.465 644 D N 0.224 120.517 120.400 -0.178 0.000 2.319 644 D HA 0.199 4.212 4.640 -1.045 0.000 0.230 644 D C 0.296 176.531 176.300 -0.109 0.000 1.094 644 D CA 0.122 54.034 54.000 -0.146 0.000 0.856 644 D CB -0.123 40.566 40.800 -0.185 0.000 0.915 644 D HN 0.146 nan 8.370 nan 0.000 0.517 645 K N -0.926 119.422 120.400 -0.086 0.000 3.016 645 K HA -0.147 3.546 4.320 -1.045 0.000 0.262 645 K C -0.843 175.729 176.600 -0.047 0.000 1.043 645 K CA 0.279 56.529 56.287 -0.061 0.000 0.761 645 K CB -1.481 30.983 32.500 -0.060 0.000 1.230 645 K HN 0.037 nan 8.250 nan 0.000 0.485 646 V N 1.106 121.005 119.914 -0.025 0.000 2.398 646 V HA 0.198 3.691 4.120 -1.045 0.000 0.286 646 V C 0.719 176.891 176.094 0.129 0.000 1.026 646 V CA -0.781 61.538 62.300 0.031 0.000 0.868 646 V CB 1.850 33.644 31.823 -0.048 0.000 0.982 646 V HN 0.253 nan 8.190 nan 0.000 0.443 647 T N 6.525 121.107 114.554 0.046 0.000 2.905 647 T HA 0.362 4.085 4.350 -1.045 0.000 0.299 647 T C -0.245 174.510 174.700 0.092 0.000 1.024 647 T CA 0.844 62.891 62.100 -0.088 0.000 1.151 647 T CB 0.042 68.677 68.868 -0.387 0.000 0.987 647 T HN 0.574 nan 8.240 nan 0.000 0.535 648 I N 2.559 123.136 120.570 0.012 0.000 2.842 648 I HA 0.607 4.150 4.170 -1.045 0.000 0.297 648 I C -1.438 174.704 176.117 0.043 0.000 1.380 648 I CA -0.969 60.369 61.300 0.062 0.000 1.018 648 I CB 1.925 39.883 38.000 -0.070 0.000 1.311 648 I HN 0.452 nan 8.210 nan 0.000 0.439 649 V N 5.476 125.475 119.914 0.143 0.000 2.680 649 V HA 0.511 4.004 4.120 -1.045 0.000 0.309 649 V C -1.016 175.127 176.094 0.082 0.000 1.052 649 V CA -0.258 62.121 62.300 0.131 0.000 0.908 649 V CB 2.221 34.198 31.823 0.256 0.000 1.001 649 V HN 0.889 nan 8.190 nan 0.000 0.431 650 D N 3.568 123.995 120.400 0.045 0.000 2.383 650 D HA 0.194 4.207 4.640 -1.045 0.000 0.248 650 D C 1.188 177.475 176.300 -0.022 0.000 1.170 650 D CA 0.129 54.135 54.000 0.010 0.000 0.977 650 D CB 0.433 41.214 40.800 -0.031 0.000 1.120 650 D HN 0.728 nan 8.370 nan 0.000 0.481 651 H N -0.689 118.315 119.070 -0.109 0.000 2.495 651 H HA -0.083 3.846 4.556 -1.046 0.000 0.287 651 H C 0.942 176.173 175.328 -0.161 0.000 1.033 651 H CA 0.999 56.952 56.048 -0.159 0.000 1.307 651 H CB -0.442 29.177 29.762 -0.239 0.000 1.401 651 H HN 0.491 nan 8.280 nan 0.000 0.555 652 H N 0.853 119.695 119.070 -0.380 0.000 2.326 652 H HA -0.066 3.863 4.556 -1.045 0.000 0.301 652 H C 2.382 177.682 175.328 -0.046 0.000 1.081 652 H CA 1.559 57.495 56.048 -0.187 0.000 1.334 652 H CB -0.080 29.543 29.762 -0.232 0.000 1.385 652 H HN 0.406 nan 8.280 nan 0.000 0.504 653 S N 0.415 116.165 115.700 0.084 0.000 2.414 653 S HA -0.005 3.838 4.470 -1.045 0.000 0.227 653 S C 2.348 177.017 174.600 0.116 0.000 1.022 653 S CA 0.795 59.050 58.200 0.092 0.000 0.958 653 S CB -0.172 63.072 63.200 0.072 0.000 0.797 653 S HN 0.436 nan 8.310 nan 0.000 0.493 654 A N 1.057 123.946 122.820 0.116 0.000 1.930 654 A HA -0.050 3.643 4.320 -1.045 0.000 0.217 654 A C 2.436 180.121 177.584 0.169 0.000 1.175 654 A CA 2.216 54.342 52.037 0.148 0.000 0.627 654 A CB -1.483 17.594 19.000 0.129 0.000 0.815 654 A HN 0.766 nan 8.150 nan 0.000 0.443 655 T N -2.610 112.029 114.554 0.142 0.000 2.851 655 T HA -0.083 3.640 4.350 -1.045 0.000 0.262 655 T C 1.757 176.589 174.700 0.221 0.000 1.043 655 T CA 1.232 63.437 62.100 0.176 0.000 1.140 655 T CB -0.371 68.572 68.868 0.124 0.000 0.872 655 T HN 0.531 nan 8.240 nan 0.000 0.446 656 E N 1.080 121.382 120.200 0.171 0.000 2.097 656 E HA -0.170 3.553 4.350 -1.045 0.000 0.196 656 E C 2.363 179.055 176.600 0.153 0.000 1.000 656 E CA 1.478 57.966 56.400 0.148 0.000 0.804 656 E CB -0.233 29.534 29.700 0.112 0.000 0.740 656 E HN 0.533 nan 8.360 nan 0.000 0.454 657 S N -0.144 115.657 115.700 0.170 0.000 2.383 657 S HA -0.127 3.716 4.470 -1.045 0.000 0.227 657 S C 1.457 176.181 174.600 0.207 0.000 1.026 657 S CA 0.898 59.197 58.200 0.166 0.000 0.981 657 S CB -0.318 62.984 63.200 0.169 0.000 0.818 657 S HN 0.374 nan 8.310 nan 0.000 0.472 658 F N 2.126 122.147 119.950 0.118 0.000 2.259 658 F HA -0.018 3.882 4.527 -1.045 0.000 0.298 658 F C 1.730 177.628 175.800 0.163 0.000 1.088 658 F CA 0.776 58.867 58.000 0.152 0.000 1.358 658 F CB -0.148 38.922 39.000 0.117 0.000 1.040 658 F HN 0.074 nan 8.300 nan 0.000 0.505 659 I N 0.964 121.621 120.570 0.144 0.000 2.127 659 I HA -0.322 3.221 4.170 -1.045 0.000 0.241 659 I C 2.474 178.571 176.117 -0.033 0.000 1.075 659 I CA 1.539 62.864 61.300 0.042 0.000 1.334 659 I CB -1.421 36.648 38.000 0.115 0.000 1.040 659 I HN 0.202 nan 8.210 nan 0.000 0.405 660 K N -0.140 120.273 120.400 0.021 0.000 2.113 660 K HA -0.282 3.411 4.320 -1.045 0.000 0.208 660 K C 2.301 178.904 176.600 0.005 0.000 1.047 660 K CA 1.885 58.185 56.287 0.020 0.000 0.928 660 K CB -0.209 32.324 32.500 0.054 0.000 0.716 660 K HN 0.359 nan 8.250 nan 0.000 0.446 661 H N 0.034 119.030 119.070 -0.124 0.000 2.363 661 H HA 0.028 3.957 4.556 -1.045 0.000 0.301 661 H C 2.051 177.253 175.328 -0.210 0.000 1.074 661 H CA 1.849 57.805 56.048 -0.155 0.000 1.354 661 H CB -0.004 29.656 29.762 -0.170 0.000 1.397 661 H HN 0.098 nan 8.280 nan 0.000 0.516 662 M N 0.122 119.442 119.600 -0.466 0.000 2.080 662 M HA -0.193 3.660 4.480 -1.045 0.000 0.260 662 M C 2.146 178.396 176.300 -0.083 0.000 1.068 662 M CA 2.105 57.208 55.300 -0.328 0.000 1.109 662 M CB -0.124 32.305 32.600 -0.285 0.000 1.342 662 M HN 0.422 nan 8.290 nan 0.000 0.405 663 E N -0.020 120.121 120.200 -0.098 0.000 2.085 663 E HA -0.210 3.513 4.350 -1.045 0.000 0.194 663 E C 1.700 178.292 176.600 -0.014 0.000 0.994 663 E CA 1.262 57.638 56.400 -0.039 0.000 0.801 663 E CB -0.061 29.614 29.700 -0.042 0.000 0.743 663 E HN 0.458 nan 8.360 nan 0.000 0.453 664 N N 0.554 119.214 118.700 -0.067 0.000 2.106 664 N HA -0.139 3.973 4.740 -1.045 0.000 0.188 664 N C 1.591 177.053 175.510 -0.080 0.000 1.029 664 N CA 0.895 53.913 53.050 -0.054 0.000 0.848 664 N CB -0.118 38.350 38.487 -0.032 0.000 1.007 664 N HN 0.167 nan 8.380 nan 0.000 0.423 665 E N 0.025 120.104 120.200 -0.202 0.000 2.150 665 E HA -0.126 3.597 4.350 -1.045 0.000 0.193 665 E C 1.774 178.276 176.600 -0.164 0.000 0.985 665 E CA 0.645 56.899 56.400 -0.242 0.000 0.814 665 E CB -0.296 29.140 29.700 -0.440 0.000 0.752 665 E HN 0.488 nan 8.360 nan 0.000 0.466 666 Y N 1.447 121.669 120.300 -0.129 0.000 2.200 666 Y HA -0.167 3.756 4.550 -1.045 0.000 0.290 666 Y C 2.564 178.435 175.900 -0.048 0.000 1.137 666 Y CA 1.851 59.913 58.100 -0.064 0.000 1.163 666 Y CB -0.091 38.340 38.460 -0.048 0.000 0.988 666 Y HN 0.091 nan 8.280 nan 0.000 0.518 667 R N -2.011 118.538 120.500 0.082 0.000 2.161 667 R HA 0.008 3.721 4.340 -1.045 0.000 0.213 667 R C 1.763 178.064 176.300 0.001 0.000 1.055 667 R CA 1.480 57.601 56.100 0.035 0.000 0.996 667 R CB -1.105 29.209 30.300 0.024 0.000 0.901 667 R HN 0.210 nan 8.270 nan 0.000 0.456 668 C N -0.284 119.007 119.300 -0.016 0.000 2.551 668 C HA 0.318 4.151 4.460 -1.045 0.000 0.277 668 C C 2.316 177.285 174.990 -0.035 0.000 1.349 668 C CA -0.005 59.005 59.018 -0.015 0.000 1.750 668 C CB -0.403 27.342 27.740 0.007 0.000 2.058 668 C HN 0.529 nan 8.230 nan 0.000 0.518 669 R N -0.598 119.855 120.500 -0.077 0.000 2.435 669 R HA 0.249 3.962 4.340 -1.045 0.000 0.221 669 R C 1.342 177.566 176.300 -0.125 0.000 0.885 669 R CA 0.933 56.972 56.100 -0.101 0.000 1.018 669 R CB 0.577 30.790 30.300 -0.144 0.000 1.259 669 R HN 0.435 nan 8.270 nan 0.000 0.597 670 G N -0.061 108.649 108.800 -0.150 0.000 2.141 670 G HA2 -0.134 3.198 3.960 -1.045 0.000 0.231 670 G HA3 -0.134 3.198 3.960 -1.045 0.000 0.231 670 G C 0.128 174.800 174.900 -0.380 0.000 0.984 670 G CA -0.002 45.006 45.100 -0.153 0.000 0.660 670 G HN 0.794 nan 8.290 nan 0.000 0.525 671 G N -2.307 106.093 108.800 -0.667 0.000 2.341 671 G HA2 0.534 3.866 3.960 -1.045 0.000 0.293 671 G HA3 0.534 3.866 3.960 -1.045 0.000 0.293 671 G C -0.906 173.607 174.900 -0.645 0.000 1.298 671 G CA 0.437 44.812 45.100 -1.208 0.000 0.868 671 G HN 1.870 nan 8.290 nan 0.000 0.540 672 C N 2.205 121.262 119.300 -0.405 0.000 2.982 672 C HA 0.636 4.469 4.460 -1.045 0.000 0.372 672 C C -2.537 172.402 174.990 -0.085 0.000 1.061 672 C CA -1.089 57.833 59.018 -0.159 0.000 1.309 672 C CB 0.774 28.452 27.740 -0.104 0.000 1.766 672 C HN 0.706 nan 8.230 nan 0.000 0.504 673 P HA 0.391 nan 4.420 nan 0.000 0.267 673 P C -0.579 176.622 177.300 -0.164 0.000 1.205 673 P CA 0.686 63.387 63.100 -0.666 0.000 0.765 673 P CB 1.074 32.201 31.700 -0.956 0.000 0.828 674 A N 2.516 125.312 122.820 -0.040 0.000 2.488 674 A HA 0.455 4.148 4.320 -1.045 0.000 0.298 674 A C -1.294 176.370 177.584 0.134 0.000 1.044 674 A CA -0.520 51.605 52.037 0.147 0.000 0.693 674 A CB 1.397 20.616 19.000 0.366 0.000 1.272 674 A HN 0.450 nan 8.150 nan 0.000 0.402 675 D N 1.761 122.235 120.400 0.124 0.000 2.472 675 D HA 0.189 4.201 4.640 -1.045 0.000 0.234 675 D C 0.620 177.088 176.300 0.281 0.000 1.088 675 D CA -0.500 53.605 54.000 0.175 0.000 0.882 675 D CB 0.478 41.324 40.800 0.075 0.000 1.037 675 D HN 0.593 nan 8.370 nan 0.000 0.520 676 W N 3.857 125.219 121.300 0.104 0.000 2.342 676 W HA -0.210 3.823 4.660 -1.045 0.000 0.297 676 W C 1.554 178.123 176.519 0.085 0.000 1.213 676 W CA 0.994 58.383 57.345 0.073 0.000 1.251 676 W CB 0.180 29.659 29.460 0.033 0.000 1.136 676 W HN 0.302 nan 8.180 nan 0.000 0.526 677 V N -0.337 119.917 119.914 0.566 0.000 2.490 677 V HA -0.295 3.198 4.120 -1.045 0.000 0.250 677 V C 1.398 177.573 176.094 0.134 0.000 1.061 677 V CA 1.984 64.532 62.300 0.413 0.000 1.064 677 V CB -0.806 31.271 31.823 0.423 0.000 0.670 677 V HN 0.298 nan 8.190 nan 0.000 0.461 678 W N -1.629 119.677 121.300 0.010 0.000 2.683 678 W HA 0.260 4.292 4.660 -1.046 0.000 0.267 678 W C 2.105 178.537 176.519 -0.146 0.000 1.243 678 W CA -0.168 57.150 57.345 -0.045 0.000 1.380 678 W CB -0.185 29.273 29.460 -0.003 0.000 1.063 678 W HN 0.064 nan 8.180 nan 0.000 0.599 679 I N 0.125 120.680 120.570 -0.025 0.000 2.353 679 I HA -0.071 3.472 4.170 -1.045 0.000 0.248 679 I C 0.655 176.586 176.117 -0.310 0.000 1.119 679 I CA 0.756 61.909 61.300 -0.245 0.000 1.417 679 I CB -1.566 36.206 38.000 -0.380 0.000 1.078 679 I HN -0.391 nan 8.210 nan 0.000 0.421 680 V N 4.312 123.955 119.914 -0.451 0.000 2.485 680 V HA 0.058 3.551 4.120 -1.045 0.000 0.287 680 V C -1.905 174.020 176.094 -0.281 0.000 1.022 680 V CA -0.910 61.106 62.300 -0.473 0.000 1.067 680 V CB -0.112 31.178 31.823 -0.889 0.000 0.967 680 V HN 0.132 nan 8.190 nan 0.000 0.479 681 P HA 0.203 nan 4.420 nan 0.000 0.272 681 P C -1.989 175.183 177.300 -0.213 0.000 1.230 681 P CA -1.458 61.526 63.100 -0.193 0.000 0.788 681 P CB 0.115 31.707 31.700 -0.180 0.000 0.949 682 P HA 0.056 nan 4.420 nan 0.000 0.253 682 P C -0.137 177.045 177.300 -0.197 0.000 1.260 682 P CA 0.846 63.830 63.100 -0.193 0.000 0.800 682 P CB 0.022 31.609 31.700 -0.188 0.000 1.162 683 M N -4.259 115.180 119.600 -0.268 0.000 2.550 683 M HA 0.545 4.398 4.480 -1.045 0.000 0.292 683 M C -0.173 175.989 176.300 -0.230 0.000 1.221 683 M CA -0.581 54.571 55.300 -0.248 0.000 0.873 683 M CB 2.045 34.479 32.600 -0.277 0.000 1.727 683 M HN -0.361 nan 8.290 nan 0.000 0.459 684 S N 0.720 116.342 115.700 -0.131 0.000 3.521 684 S HA -0.184 3.659 4.470 -1.045 0.000 0.328 684 S C 1.135 175.686 174.600 -0.080 0.000 1.165 684 S CA 0.927 59.091 58.200 -0.060 0.000 0.941 684 S CB -2.015 61.219 63.200 0.056 0.000 0.951 684 S HN 1.250 nan 8.310 nan 0.000 0.539 685 G N 2.279 110.997 108.800 -0.137 0.000 2.732 685 G HA2 -0.397 2.935 3.960 -1.045 0.000 0.222 685 G HA3 -0.397 2.935 3.960 -1.045 0.000 0.222 685 G C 1.498 176.220 174.900 -0.296 0.000 1.203 685 G CA 1.962 46.981 45.100 -0.135 0.000 0.780 685 G HN 1.378 nan 8.290 nan 0.000 0.621 686 S N 0.740 115.969 115.700 -0.784 0.000 2.515 686 S HA 0.025 3.868 4.470 -1.045 0.000 0.231 686 S C 2.196 176.754 174.600 -0.069 0.000 0.987 686 S CA 1.112 58.735 58.200 -0.963 0.000 0.936 686 S CB -0.409 62.102 63.200 -1.147 0.000 0.766 686 S HN 0.829 nan 8.310 nan 0.000 0.528 687 I N 0.750 121.318 120.570 -0.003 0.000 3.793 687 I HA 0.245 3.788 4.170 -1.045 0.000 0.315 687 I C 0.500 176.751 176.117 0.223 0.000 1.275 687 I CA -0.193 61.188 61.300 0.136 0.000 1.214 687 I CB -0.571 37.508 38.000 0.132 0.000 1.018 687 I HN 0.232 nan 8.210 nan 0.000 0.439 688 T N -1.690 112.997 114.554 0.222 0.000 2.925 688 T HA 0.487 4.210 4.350 -1.045 0.000 0.285 688 T C -1.775 173.117 174.700 0.319 0.000 1.021 688 T CA -1.902 60.346 62.100 0.246 0.000 1.042 688 T CB 1.799 70.766 68.868 0.165 0.000 1.037 688 T HN -0.104 nan 8.240 nan 0.000 0.481 689 P HA 0.017 nan 4.420 nan 0.000 0.227 689 P C 1.804 179.320 177.300 0.361 0.000 1.161 689 P CA 0.501 63.801 63.100 0.333 0.000 0.788 689 P CB -0.367 31.459 31.700 0.211 0.000 0.822 690 V N -3.592 116.481 119.914 0.265 0.000 2.568 690 V HA -0.221 3.271 4.120 -1.045 0.000 0.253 690 V C 2.253 178.444 176.094 0.161 0.000 1.072 690 V CA 1.276 63.694 62.300 0.198 0.000 1.084 690 V CB -2.286 29.572 31.823 0.058 0.000 0.676 690 V HN -0.119 nan 8.190 nan 0.000 0.469 691 F N 1.850 121.822 119.950 0.036 0.000 2.161 691 F HA -0.167 3.732 4.527 -1.046 0.000 0.300 691 F C 2.353 178.281 175.800 0.213 0.000 1.089 691 F CA 2.214 60.221 58.000 0.011 0.000 1.282 691 F CB -0.261 38.653 39.000 -0.143 0.000 1.010 691 F HN 0.314 nan 8.300 nan 0.000 0.485 692 H N -1.089 118.268 119.070 0.477 0.000 2.519 692 H HA 0.148 4.076 4.556 -1.045 0.000 0.289 692 H C 0.054 175.621 175.328 0.399 0.000 1.040 692 H CA 0.031 56.332 56.048 0.422 0.000 1.165 692 H CB -0.046 29.961 29.762 0.408 0.000 1.462 692 H HN 0.233 nan 8.280 nan 0.000 0.555 693 Q N 1.933 122.013 119.800 0.467 0.000 2.368 693 Q HA 0.163 3.876 4.340 -1.045 0.000 0.263 693 Q C -0.666 175.572 176.000 0.395 0.000 1.009 693 Q CA -0.512 55.518 55.803 0.378 0.000 0.818 693 Q CB 0.867 29.801 28.738 0.326 0.000 1.239 693 Q HN 0.229 nan 8.270 nan 0.000 0.464 694 E N 3.759 124.135 120.200 0.293 0.000 2.414 694 E HA 0.161 3.884 4.350 -1.045 0.000 0.263 694 E C -0.539 176.193 176.600 0.221 0.000 1.000 694 E CA 0.519 57.048 56.400 0.215 0.000 0.914 694 E CB 0.680 30.490 29.700 0.184 0.000 0.948 694 E HN 0.590 nan 8.360 nan 0.000 0.444 695 M N 2.775 122.518 119.600 0.239 0.000 2.518 695 M HA 0.372 4.225 4.480 -1.045 0.000 0.300 695 M C -1.019 175.412 176.300 0.218 0.000 1.175 695 M CA -0.653 54.809 55.300 0.269 0.000 0.890 695 M CB 1.812 34.625 32.600 0.355 0.000 1.710 695 M HN 0.235 nan 8.290 nan 0.000 0.453 696 L N 2.045 123.417 121.223 0.248 0.000 2.296 696 L HA 0.487 4.200 4.340 -1.045 0.000 0.286 696 L C -0.352 176.625 176.870 0.180 0.000 1.023 696 L CA -0.322 54.672 54.840 0.256 0.000 0.812 696 L CB 1.283 43.571 42.059 0.381 0.000 1.223 696 L HN 0.703 nan 8.230 nan 0.000 0.421 697 N N 3.103 121.897 118.700 0.156 0.000 2.408 697 N HA 0.538 4.651 4.740 -1.045 0.000 0.280 697 N C -1.687 173.901 175.510 0.130 0.000 1.002 697 N CA -0.438 52.632 53.050 0.034 0.000 0.907 697 N CB 1.195 39.716 38.487 0.057 0.000 1.161 697 N HN 0.475 nan 8.380 nan 0.000 0.488 698 Y N 0.136 120.468 120.300 0.054 0.000 2.656 698 Y HA 0.477 4.400 4.550 -1.045 0.000 0.334 698 Y C -1.273 174.644 175.900 0.029 0.000 1.179 698 Y CA -1.314 56.812 58.100 0.043 0.000 1.050 698 Y CB 0.897 39.395 38.460 0.064 0.000 1.308 698 Y HN 0.159 nan 8.280 nan 0.000 0.456 699 R N 2.529 123.135 120.500 0.176 0.000 2.239 699 R HA 0.561 4.273 4.340 -1.045 0.000 0.332 699 R C -1.388 174.978 176.300 0.109 0.000 0.988 699 R CA -0.572 55.575 56.100 0.078 0.000 0.859 699 R CB 1.318 31.651 30.300 0.055 0.000 1.148 699 R HN 0.725 nan 8.270 nan 0.000 0.482 700 L N 1.003 122.269 121.223 0.072 0.000 2.334 700 L HA 0.482 4.195 4.340 -1.045 0.000 0.272 700 L C 0.498 177.386 176.870 0.030 0.000 1.020 700 L CA -0.599 54.287 54.840 0.077 0.000 0.812 700 L CB 2.212 44.318 42.059 0.077 0.000 1.264 700 L HN 0.387 nan 8.230 nan 0.000 0.439 701 T N 2.073 116.653 114.554 0.044 0.000 2.856 701 T HA 0.519 4.242 4.350 -1.045 0.000 0.283 701 T C -2.540 172.210 174.700 0.084 0.000 1.008 701 T CA -1.629 60.493 62.100 0.037 0.000 0.997 701 T CB 1.867 70.759 68.868 0.040 0.000 0.992 701 T HN 0.230 nan 8.240 nan 0.000 0.454 702 P HA 0.333 nan 4.420 nan 0.000 0.270 702 P C -1.197 176.029 177.300 -0.123 0.000 1.223 702 P CA -0.241 62.839 63.100 -0.035 0.000 0.785 702 P CB 0.549 32.221 31.700 -0.047 0.000 0.923 703 S N -0.567 114.999 115.700 -0.223 0.000 2.588 703 S HA 0.648 4.490 4.470 -1.045 0.000 0.269 703 S C -1.350 173.021 174.600 -0.381 0.000 1.157 703 S CA -0.828 57.227 58.200 -0.241 0.000 0.824 703 S CB 0.607 63.745 63.200 -0.105 0.000 1.126 703 S HN 0.138 nan 8.310 nan 0.000 0.464 704 F N 1.187 121.057 119.950 -0.134 0.000 2.421 704 F HA 0.664 4.563 4.527 -1.047 0.000 0.337 704 F C 0.820 176.492 175.800 -0.213 0.000 1.105 704 F CA -0.267 57.638 58.000 -0.158 0.000 1.049 704 F CB 1.356 40.227 39.000 -0.216 0.000 1.139 704 F HN 0.480 nan 8.300 nan 0.000 0.479 705 E N 1.704 121.893 120.200 -0.018 0.000 2.369 705 E HA 0.277 4.000 4.350 -1.045 0.000 0.270 705 E C -1.309 175.200 176.600 -0.152 0.000 0.909 705 E CA -0.902 55.428 56.400 -0.117 0.000 0.775 705 E CB 2.042 31.729 29.700 -0.022 0.000 1.270 705 E HN 0.456 nan 8.360 nan 0.000 0.445 706 Y N 0.913 121.229 120.300 0.027 0.000 2.299 706 Y HA 0.162 4.084 4.550 -1.047 0.000 0.335 706 Y C 1.053 176.944 175.900 -0.015 0.000 1.287 706 Y CA 0.016 58.118 58.100 0.002 0.000 1.424 706 Y CB 0.846 39.293 38.460 -0.022 0.000 1.326 706 Y HN 0.295 nan 8.280 nan 0.000 0.567 707 Q N 0.579 120.458 119.800 0.131 0.000 2.418 707 Q HA 0.548 4.261 4.340 -1.045 0.000 0.282 707 Q C -3.118 172.842 176.000 -0.067 0.000 1.044 707 Q CA -2.470 53.345 55.803 0.019 0.000 0.813 707 Q CB 1.719 30.456 28.738 -0.002 0.000 1.428 707 Q HN 0.273 nan 8.270 nan 0.000 0.402 708 P HA 0.039 nan 4.420 nan 0.000 0.266 708 P C -0.809 176.268 177.300 -0.372 0.000 1.195 708 P CA 0.049 63.025 63.100 -0.207 0.000 0.768 708 P CB 0.303 31.895 31.700 -0.181 0.000 0.838 709 D N 4.431 124.497 120.400 -0.556 0.000 2.581 709 D HA -0.056 3.957 4.640 -1.045 0.000 0.238 709 D C -1.023 174.620 176.300 -1.095 0.000 1.145 709 D CA -0.590 52.768 54.000 -1.069 0.000 0.866 709 D CB 0.279 40.032 40.800 -1.745 0.000 1.151 709 D HN 0.266 nan 8.370 nan 0.000 0.500 710 P HA -0.170 nan 4.420 nan 0.000 0.219 710 P C 1.224 178.028 177.300 -0.826 0.000 1.144 710 P CA 1.188 63.732 63.100 -0.927 0.000 0.806 710 P CB -0.131 30.712 31.700 -1.428 0.000 0.771 711 W N -0.234 120.672 121.300 -0.658 0.000 2.905 711 W HA 0.188 4.217 4.660 -1.051 0.000 0.251 711 W C 1.291 177.789 176.519 -0.035 0.000 1.305 711 W CA 0.067 57.221 57.345 -0.318 0.000 1.465 711 W CB -1.882 27.535 29.460 -0.072 0.000 1.122 711 W HN -0.178 nan 8.180 nan 0.000 0.659 712 N N 0.546 119.160 118.700 -0.143 0.000 2.376 712 N HA -0.042 4.071 4.740 -1.045 0.000 0.177 712 N C 1.282 176.779 175.510 -0.022 0.000 1.024 712 N CA 1.808 54.841 53.050 -0.028 0.000 0.893 712 N CB -0.479 37.933 38.487 -0.126 0.000 0.980 712 N HN 0.203 nan 8.380 nan 0.000 0.439 713 T N -0.506 113.993 114.554 -0.091 0.000 3.004 713 T HA -0.033 3.690 4.350 -1.045 0.000 0.243 713 T C 0.614 175.310 174.700 -0.007 0.000 1.020 713 T CA 0.109 62.173 62.100 -0.060 0.000 1.145 713 T CB -0.207 68.594 68.868 -0.112 0.000 0.876 713 T HN 0.253 nan 8.240 nan 0.000 0.449 714 H N 2.261 121.259 119.070 -0.119 0.000 2.998 714 H HA 0.246 4.178 4.556 -1.040 0.000 0.353 714 H C -0.632 174.620 175.328 -0.126 0.000 1.099 714 H CA -0.195 55.773 56.048 -0.134 0.000 1.393 714 H CB 0.301 29.978 29.762 -0.141 0.000 1.343 714 H HN 0.008 nan 8.280 nan 0.000 0.609 715 V N 3.323 122.635 119.914 -1.004 0.000 2.444 715 V HA 0.258 3.750 4.120 -1.045 0.000 0.294 715 V C -0.245 175.288 176.094 -0.935 0.000 1.022 715 V CA -1.187 60.701 62.300 -0.686 0.000 0.850 715 V CB 0.336 32.000 31.823 -0.265 0.000 0.992 715 V HN 0.691 nan 8.190 nan 0.000 0.426 716 W N 0.000 121.088 121.300 -0.353 0.000 2.388 716 W HA 0.000 4.028 4.660 -1.053 0.000 0.303 716 W CA 0.000 57.275 57.345 -0.116 0.000 1.226 716 W CB 0.000 29.463 29.460 0.005 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535