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 3jwt_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 0.000 176.574 176.300 0.456 0.000 0.893 299 R CA 0.000 56.267 56.100 0.279 0.000 0.921 299 R CB 0.000 30.443 30.300 0.239 0.000 0.687 300 F N 3.145 123.152 119.950 0.095 0.000 2.504 300 F HA 0.412 4.343 4.527 -0.994 0.000 0.369 300 F C 0.052 175.915 175.800 0.105 0.000 1.082 300 F CA 0.108 58.179 58.000 0.118 0.000 1.216 300 F CB 0.293 39.325 39.000 0.053 0.000 1.108 300 F HN 0.118 nan 8.300 nan 0.000 0.554 301 L N 4.441 125.801 121.223 0.228 0.000 2.386 301 L HA 0.477 4.220 4.340 -0.994 0.000 0.271 301 L C -0.293 176.627 176.870 0.083 0.000 0.993 301 L CA -0.958 53.931 54.840 0.081 0.000 0.819 301 L CB 2.153 44.144 42.059 -0.114 0.000 1.294 301 L HN 0.451 nan 8.230 nan 0.000 0.414 302 K N 2.312 122.745 120.400 0.055 0.000 2.123 302 K HA 0.680 4.403 4.320 -0.994 0.000 0.259 302 K C -0.973 175.631 176.600 0.006 0.000 0.960 302 K CA -0.752 55.552 56.287 0.027 0.000 0.872 302 K CB 2.708 35.215 32.500 0.011 0.000 1.079 302 K HN 0.407 nan 8.250 nan 0.000 0.440 303 V N -0.820 119.067 119.914 -0.045 0.000 2.588 303 V HA 0.495 4.018 4.120 -0.994 0.000 0.304 303 V C -0.648 175.380 176.094 -0.110 0.000 1.042 303 V CA -1.022 61.251 62.300 -0.045 0.000 0.877 303 V CB 1.511 33.311 31.823 -0.038 0.000 0.996 303 V HN 0.712 nan 8.190 nan 0.000 0.425 304 K N 3.723 124.066 120.400 -0.094 0.000 2.159 304 K HA 0.411 4.135 4.320 -0.994 0.000 0.266 304 K C -0.412 176.083 176.600 -0.175 0.000 0.975 304 K CA -0.613 55.523 56.287 -0.252 0.000 0.865 304 K CB 1.242 33.420 32.500 -0.536 0.000 1.087 304 K HN 0.917 nan 8.250 nan 0.000 0.446 305 N N 3.913 122.509 118.700 -0.175 0.000 2.422 305 N HA 0.064 4.207 4.740 -0.994 0.000 0.266 305 N C -0.259 175.202 175.510 -0.081 0.000 1.007 305 N CA -0.231 52.813 53.050 -0.010 0.000 0.941 305 N CB 0.515 39.017 38.487 0.024 0.000 1.115 305 N HN 0.657 nan 8.380 nan 0.000 0.492 306 W N 2.122 123.501 121.300 0.131 0.000 3.047 306 W HA 0.137 4.201 4.660 -0.995 0.000 0.250 306 W C 2.023 178.598 176.519 0.093 0.000 1.314 306 W CA -0.135 57.283 57.345 0.121 0.000 1.540 306 W CB 0.372 29.927 29.460 0.159 0.000 1.127 306 W HN 0.683 nan 8.180 nan 0.000 0.679 307 E N -0.309 120.019 120.200 0.214 0.000 2.166 307 E HA -0.106 3.648 4.350 -0.994 0.000 0.192 307 E C 2.029 178.640 176.600 0.018 0.000 0.967 307 E CA 1.680 58.106 56.400 0.042 0.000 0.840 307 E CB 0.090 29.733 29.700 -0.095 0.000 0.795 307 E HN 0.142 nan 8.360 nan 0.000 0.470 308 T N -2.903 111.659 114.554 0.014 0.000 3.001 308 T HA 0.133 3.886 4.350 -0.994 0.000 0.251 308 T C 0.518 175.190 174.700 -0.046 0.000 1.040 308 T CA 0.388 62.480 62.100 -0.013 0.000 0.985 308 T CB 0.372 69.236 68.868 -0.006 0.000 1.011 308 T HN 0.047 nan 8.240 nan 0.000 0.509 309 D N 0.031 120.380 120.400 -0.085 0.000 2.946 309 D HA -0.129 3.915 4.640 -0.994 0.000 0.202 309 D C -0.077 176.128 176.300 -0.158 0.000 1.068 309 D CA 0.545 54.453 54.000 -0.154 0.000 1.011 309 D CB -1.766 38.966 40.800 -0.113 0.000 1.105 309 D HN 0.446 nan 8.370 nan 0.000 0.425 310 V N 1.132 120.974 119.914 -0.120 0.000 2.599 310 V HA 0.118 3.642 4.120 -0.994 0.000 0.300 310 V C 0.887 176.887 176.094 -0.157 0.000 1.034 310 V CA 0.124 62.355 62.300 -0.116 0.000 1.115 310 V CB 1.506 33.277 31.823 -0.087 0.000 0.934 310 V HN -0.034 nan 8.190 nan 0.000 0.485 311 V N 7.239 127.064 119.914 -0.148 0.000 2.417 311 V HA 0.502 4.025 4.120 -0.994 0.000 0.291 311 V C -0.095 175.906 176.094 -0.154 0.000 1.024 311 V CA -0.499 61.706 62.300 -0.159 0.000 0.861 311 V CB 1.603 33.344 31.823 -0.137 0.000 0.985 311 V HN 0.613 nan 8.190 nan 0.000 0.436 312 L N 3.481 124.573 121.223 -0.219 0.000 2.342 312 L HA 0.665 4.408 4.340 -0.994 0.000 0.271 312 L C 0.008 176.797 176.870 -0.137 0.000 1.008 312 L CA -0.436 54.235 54.840 -0.282 0.000 0.818 312 L CB 2.455 44.058 42.059 -0.760 0.000 1.296 312 L HN 0.535 nan 8.230 nan 0.000 0.427 313 T N 0.251 114.822 114.554 0.028 0.000 2.758 313 T HA 0.188 3.942 4.350 -0.994 0.000 0.285 313 T C -0.667 174.178 174.700 0.242 0.000 0.981 313 T CA -0.452 61.718 62.100 0.116 0.000 0.965 313 T CB 1.253 70.176 68.868 0.092 0.000 0.927 313 T HN 0.417 nan 8.240 nan 0.000 0.448 314 D N 2.331 122.879 120.400 0.247 0.000 2.232 314 D HA 0.215 4.258 4.640 -0.994 0.000 0.242 314 D C 0.785 177.069 176.300 -0.026 0.000 1.093 314 D CA -0.249 53.872 54.000 0.202 0.000 0.845 314 D CB 1.481 42.457 40.800 0.294 0.000 1.124 314 D HN 0.641 nan 8.370 nan 0.000 0.467 315 T N 0.925 115.325 114.554 -0.258 0.000 2.975 315 T HA -0.016 3.738 4.350 -0.994 0.000 0.257 315 T C 1.733 176.154 174.700 -0.465 0.000 1.003 315 T CA -0.286 61.513 62.100 -0.503 0.000 0.932 315 T CB 0.153 68.614 68.868 -0.678 0.000 1.087 315 T HN 0.241 nan 8.240 nan 0.000 0.512 316 L N 2.968 124.003 121.223 -0.313 0.000 2.201 316 L HA -0.003 3.741 4.340 -0.994 0.000 0.212 316 L C 2.550 179.203 176.870 -0.361 0.000 1.105 316 L CA 1.662 56.350 54.840 -0.253 0.000 0.775 316 L CB -0.801 41.185 42.059 -0.123 0.000 0.913 316 L HN 0.560 nan 8.230 nan 0.000 0.440 317 H N -1.151 117.535 119.070 -0.641 0.000 2.489 317 H HA -0.129 3.831 4.556 -0.995 0.000 0.293 317 H C 1.892 176.951 175.328 -0.449 0.000 1.066 317 H CA 1.486 56.916 56.048 -1.029 0.000 1.305 317 H CB -0.693 28.353 29.762 -1.192 0.000 1.386 317 H HN 0.433 nan 8.280 nan 0.000 0.551 318 L N 0.570 121.303 121.223 -0.817 0.000 2.191 318 L HA -0.099 3.644 4.340 -0.994 0.000 0.212 318 L C 2.024 178.757 176.870 -0.228 0.000 1.103 318 L CA 1.235 55.804 54.840 -0.452 0.000 0.769 318 L CB -0.292 41.515 42.059 -0.420 0.000 0.908 318 L HN 0.130 nan 8.230 nan 0.000 0.438 319 K N -0.178 120.097 120.400 -0.207 0.000 2.505 319 K HA 0.041 3.764 4.320 -0.994 0.000 0.192 319 K C 0.887 177.467 176.600 -0.033 0.000 1.025 319 K CA -0.143 56.085 56.287 -0.098 0.000 1.086 319 K CB 0.162 32.613 32.500 -0.082 0.000 0.840 319 K HN 0.135 nan 8.250 nan 0.000 0.514 320 S N -0.522 115.156 115.700 -0.038 0.000 2.592 320 S HA 0.078 3.951 4.470 -0.994 0.000 0.271 320 S C 0.943 175.566 174.600 0.039 0.000 1.326 320 S CA -0.071 58.160 58.200 0.051 0.000 1.024 320 S CB 1.410 64.663 63.200 0.089 0.000 0.921 320 S HN 0.177 nan 8.310 nan 0.000 0.527 321 T N 3.233 117.822 114.554 0.058 0.000 3.176 321 T HA 0.330 4.083 4.350 -0.994 0.000 0.259 321 T C 0.375 175.102 174.700 0.045 0.000 0.978 321 T CA -0.182 61.944 62.100 0.043 0.000 1.050 321 T CB -0.477 68.414 68.868 0.039 0.000 1.136 321 T HN 0.580 nan 8.240 nan 0.000 0.465 322 L N 2.508 123.762 121.223 0.052 0.000 2.464 322 L HA 0.427 4.171 4.340 -0.994 0.000 0.264 322 L C 0.249 177.149 176.870 0.050 0.000 1.199 322 L CA -0.404 54.463 54.840 0.045 0.000 0.818 322 L CB 0.422 42.505 42.059 0.039 0.000 1.102 322 L HN 0.321 nan 8.230 nan 0.000 0.473 323 E N -0.248 119.976 120.200 0.041 0.000 2.331 323 E HA 0.079 3.832 4.350 -0.994 0.000 0.272 323 E C 0.579 177.203 176.600 0.040 0.000 1.036 323 E CA -0.005 56.419 56.400 0.041 0.000 0.864 323 E CB 1.291 31.012 29.700 0.034 0.000 1.035 323 E HN 0.698 nan 8.360 nan 0.000 0.408 324 T N -0.414 114.166 114.554 0.044 0.000 3.014 324 T HA 0.127 3.881 4.350 -0.994 0.000 0.263 324 T C 1.430 176.146 174.700 0.028 0.000 1.078 324 T CA 0.530 62.654 62.100 0.039 0.000 1.135 324 T CB 0.076 68.973 68.868 0.049 0.000 0.895 324 T HN 0.766 nan 8.240 nan 0.000 0.480 325 G N 0.234 109.052 108.800 0.030 0.000 2.259 325 G HA2 -0.212 3.151 3.960 -0.994 0.000 0.217 325 G HA3 -0.212 3.151 3.960 -0.994 0.000 0.217 325 G C 0.299 175.218 174.900 0.031 0.000 1.001 325 G CA -0.249 44.868 45.100 0.028 0.000 0.627 325 G HN 0.755 nan 8.290 nan 0.000 0.501 326 C N 1.799 121.118 119.300 0.031 0.000 2.443 326 C HA 0.867 4.731 4.460 -0.994 0.000 0.369 326 C C 1.081 176.091 174.990 0.032 0.000 1.241 326 C CA 0.580 59.616 59.018 0.030 0.000 2.413 326 C CB 0.866 28.621 27.740 0.025 0.000 2.451 326 C HN 1.000 nan 8.230 nan 0.000 0.595 327 T N -1.476 113.099 114.554 0.034 0.000 2.831 327 T HA 0.388 4.141 4.350 -0.994 0.000 0.287 327 T C 0.350 175.048 174.700 -0.004 0.000 1.070 327 T CA -0.448 61.674 62.100 0.036 0.000 1.010 327 T CB 1.003 69.921 68.868 0.083 0.000 1.264 327 T HN 0.513 nan 8.240 nan 0.000 0.532 328 E N -0.355 119.809 120.200 -0.060 0.000 2.333 328 E HA -0.056 3.697 4.350 -0.994 0.000 0.198 328 E C 1.506 177.921 176.600 -0.307 0.000 1.007 328 E CA 1.191 57.467 56.400 -0.208 0.000 0.845 328 E CB -0.150 29.361 29.700 -0.315 0.000 0.766 328 E HN 0.582 nan 8.360 nan 0.000 0.507 329 H N -1.622 117.451 119.070 0.004 0.000 2.750 329 H HA 0.354 4.314 4.556 -0.994 0.000 0.263 329 H C 0.176 175.505 175.328 0.002 0.000 0.964 329 H CA 0.171 56.220 56.048 0.003 0.000 1.205 329 H CB 1.197 30.962 29.762 0.004 0.000 1.454 329 H HN 0.089 nan 8.280 nan 0.000 0.503 330 I N 0.637 121.265 120.570 0.097 0.000 2.644 330 I HA 0.199 3.772 4.170 -0.994 0.000 0.291 330 I C -1.177 174.960 176.117 0.033 0.000 1.180 330 I CA -0.712 60.624 61.300 0.060 0.000 1.040 330 I CB 2.165 40.203 38.000 0.063 0.000 1.255 330 I HN 0.024 nan 8.210 nan 0.000 0.422 331 C N 7.764 127.076 119.300 0.021 0.000 2.303 331 C HA 0.566 4.429 4.460 -0.994 0.000 0.326 331 C C 0.603 175.605 174.990 0.021 0.000 1.285 331 C CA -0.493 58.534 59.018 0.014 0.000 1.675 331 C CB 0.540 28.280 27.740 -0.000 0.000 2.289 331 C HN 0.861 nan 8.230 nan 0.000 0.512 332 M N 4.926 124.541 119.600 0.026 0.000 2.771 332 M HA 0.201 4.084 4.480 -0.994 0.000 0.341 332 M C 1.731 178.055 176.300 0.041 0.000 1.226 332 M CA -0.003 55.316 55.300 0.032 0.000 0.955 332 M CB 0.275 32.893 32.600 0.031 0.000 1.318 332 M HN 1.016 nan 8.290 nan 0.000 0.514 333 G N 0.970 109.795 108.800 0.042 0.000 2.501 333 G HA2 -0.191 3.172 3.960 -0.994 0.000 0.220 333 G HA3 -0.191 3.172 3.960 -0.994 0.000 0.220 333 G C 1.336 176.297 174.900 0.102 0.000 1.114 333 G CA 1.413 46.551 45.100 0.062 0.000 0.757 333 G HN 0.581 nan 8.290 nan 0.000 0.559 334 S N -0.409 115.346 115.700 0.091 0.000 2.578 334 S HA 0.367 4.241 4.470 -0.994 0.000 0.231 334 S C 0.538 175.203 174.600 0.108 0.000 0.994 334 S CA -0.660 57.611 58.200 0.118 0.000 0.956 334 S CB 0.226 63.478 63.200 0.087 0.000 0.870 334 S HN -0.004 nan 8.310 nan 0.000 0.494 335 I N 2.668 123.290 120.570 0.085 0.000 2.471 335 I HA 0.211 3.785 4.170 -0.994 0.000 0.286 335 I C 1.652 177.826 176.117 0.095 0.000 1.079 335 I CA -0.093 61.249 61.300 0.070 0.000 1.398 335 I CB -0.154 37.872 38.000 0.043 0.000 1.403 335 I HN 0.282 nan 8.210 nan 0.000 0.530 336 M N 5.473 125.130 119.600 0.095 0.000 2.159 336 M HA -0.055 3.828 4.480 -0.994 0.000 0.263 336 M C 0.408 176.715 176.300 0.012 0.000 1.063 336 M CA 1.752 57.126 55.300 0.123 0.000 1.110 336 M CB -0.025 32.628 32.600 0.089 0.000 1.374 336 M HN 0.396 nan 8.290 nan 0.000 0.411 337 L N 1.446 122.657 121.223 -0.019 0.000 2.457 337 L HA 0.341 4.084 4.340 -0.994 0.000 0.252 337 L C -2.028 174.842 176.870 -0.000 0.000 1.132 337 L CA -1.550 53.269 54.840 -0.035 0.000 0.938 337 L CB 0.146 42.173 42.059 -0.053 0.000 1.246 337 L HN 0.043 nan 8.230 nan 0.000 0.476 351 K N 0.329 120.750 120.400 0.035 0.000 2.097 351 K HA -0.108 3.615 4.320 -0.994 0.000 0.206 351 K C 1.137 177.773 176.600 0.061 0.000 1.049 351 K CA 2.003 58.315 56.287 0.041 0.000 0.933 351 K CB -0.227 32.281 32.500 0.012 0.000 0.717 351 K HN 0.476 nan 8.250 nan 0.000 0.442 352 D N 0.891 121.321 120.400 0.050 0.000 2.117 352 D HA -0.146 3.897 4.640 -0.994 0.000 0.198 352 D C 1.853 178.198 176.300 0.075 0.000 0.982 352 D CA 1.188 55.224 54.000 0.060 0.000 0.828 352 D CB -0.129 40.694 40.800 0.039 0.000 0.967 352 D HN 0.218 nan 8.370 nan 0.000 0.464 353 Q N -0.541 119.297 119.800 0.063 0.000 2.187 353 Q HA 0.024 3.768 4.340 -0.994 0.000 0.199 353 Q C 1.854 177.901 176.000 0.078 0.000 0.957 353 Q CA 0.331 56.169 55.803 0.059 0.000 0.857 353 Q CB 0.056 28.820 28.738 0.043 0.000 0.929 353 Q HN 0.174 nan 8.270 nan 0.000 0.453 354 L N -0.585 120.700 121.223 0.103 0.000 2.095 354 L HA -0.035 3.708 4.340 -0.994 0.000 0.204 354 L C 1.811 178.782 176.870 0.169 0.000 1.080 354 L CA 1.426 56.348 54.840 0.137 0.000 0.759 354 L CB -0.445 41.707 42.059 0.155 0.000 0.914 354 L HN 0.138 nan 8.230 nan 0.000 0.439 355 F N 1.268 121.214 119.950 -0.006 0.000 2.134 355 F HA -0.029 3.901 4.527 -0.995 0.000 0.299 355 F C -0.627 175.161 175.800 -0.020 0.000 1.097 355 F CA 0.829 58.803 58.000 -0.045 0.000 1.264 355 F CB -1.656 37.313 39.000 -0.052 0.000 1.001 355 F HN 0.166 nan 8.300 nan 0.000 0.479 356 P HA -0.142 nan 4.420 nan 0.000 0.217 356 P C 2.176 179.413 177.300 -0.104 0.000 1.150 356 P CA 1.538 64.545 63.100 -0.155 0.000 0.832 356 P CB -0.096 31.582 31.700 -0.036 0.000 0.787 357 L N -0.857 120.356 121.223 -0.017 0.000 2.017 357 L HA -0.184 3.560 4.340 -0.994 0.000 0.208 357 L C 2.516 179.431 176.870 0.075 0.000 1.073 357 L CA 1.761 56.627 54.840 0.043 0.000 0.745 357 L CB -1.312 40.790 42.059 0.071 0.000 0.894 357 L HN -0.042 nan 8.230 nan 0.000 0.432 358 A N 0.211 123.049 122.820 0.029 0.000 1.902 358 A HA -0.270 3.454 4.320 -0.994 0.000 0.217 358 A C 2.385 179.948 177.584 -0.036 0.000 1.181 358 A CA 2.127 54.177 52.037 0.021 0.000 0.623 358 A CB -0.465 18.377 19.000 -0.265 0.000 0.818 358 A HN 0.356 nan 8.150 nan 0.000 0.443 359 K N -0.154 120.067 120.400 -0.300 0.000 2.002 359 K HA -0.208 3.515 4.320 -0.994 0.000 0.209 359 K C 2.112 178.671 176.600 -0.069 0.000 1.048 359 K CA 1.657 57.759 56.287 -0.308 0.000 0.930 359 K CB -0.264 31.894 32.500 -0.570 0.000 0.714 359 K HN 0.575 nan 8.250 nan 0.000 0.438 360 E N -0.258 119.927 120.200 -0.025 0.000 2.086 360 E HA -0.257 3.496 4.350 -0.994 0.000 0.200 360 E C 1.885 178.563 176.600 0.130 0.000 1.012 360 E CA 1.665 58.099 56.400 0.057 0.000 0.812 360 E CB -0.248 29.490 29.700 0.065 0.000 0.743 360 E HN 0.433 nan 8.360 nan 0.000 0.453 361 F N 1.000 120.978 119.950 0.046 0.000 2.163 361 F HA -0.065 3.866 4.527 -0.993 0.000 0.297 361 F C 1.966 177.837 175.800 0.118 0.000 1.094 361 F CA 1.094 59.152 58.000 0.097 0.000 1.290 361 F CB -0.203 38.870 39.000 0.121 0.000 1.017 361 F HN -0.020 nan 8.300 nan 0.000 0.483 362 L N -0.008 121.175 121.223 -0.066 0.000 2.093 362 L HA -0.172 3.571 4.340 -0.994 0.000 0.208 362 L C 2.121 178.988 176.870 -0.004 0.000 1.085 362 L CA 1.134 55.945 54.840 -0.048 0.000 0.755 362 L CB -0.823 41.336 42.059 0.167 0.000 0.904 362 L HN 0.054 nan 8.230 nan 0.000 0.435 363 D N 0.121 120.549 120.400 0.048 0.000 2.104 363 D HA -0.237 3.807 4.640 -0.994 0.000 0.194 363 D C 2.257 178.575 176.300 0.030 0.000 0.994 363 D CA 1.625 55.682 54.000 0.096 0.000 0.830 363 D CB -0.207 40.743 40.800 0.251 0.000 0.959 363 D HN 0.545 nan 8.370 nan 0.000 0.452 364 Q N -0.599 119.164 119.800 -0.061 0.000 2.123 364 Q HA -0.194 3.549 4.340 -0.994 0.000 0.199 364 Q C 2.225 178.033 176.000 -0.319 0.000 0.966 364 Q CA 0.930 56.668 55.803 -0.109 0.000 0.845 364 Q CB -0.723 28.003 28.738 -0.019 0.000 0.907 364 Q HN 0.354 nan 8.270 nan 0.000 0.439 365 Y N 0.859 120.714 120.300 -0.741 0.000 2.097 365 Y HA -0.273 3.681 4.550 -0.993 0.000 0.282 365 Y C 1.644 177.079 175.900 -0.775 0.000 1.152 365 Y CA 1.600 59.006 58.100 -1.157 0.000 1.136 365 Y CB -0.540 37.142 38.460 -1.298 0.000 0.975 365 Y HN 0.083 nan 8.280 nan 0.000 0.498 366 Y N -0.768 119.117 120.300 -0.691 0.000 2.293 366 Y HA -0.189 3.765 4.550 -0.994 0.000 0.291 366 Y C 3.063 178.707 175.900 -0.426 0.000 1.137 366 Y CA 1.700 59.394 58.100 -0.676 0.000 1.202 366 Y CB -0.680 37.270 38.460 -0.850 0.000 0.990 366 Y HN 0.215 nan 8.280 nan 0.000 0.537 367 S N -0.542 115.074 115.700 -0.141 0.000 2.368 367 S HA -0.198 3.675 4.470 -0.994 0.000 0.224 367 S C 2.367 176.866 174.600 -0.167 0.000 1.029 367 S CA 1.482 59.646 58.200 -0.060 0.000 0.988 367 S CB -0.616 62.542 63.200 -0.070 0.000 0.838 367 S HN 0.610 nan 8.310 nan 0.000 0.462 368 S N 2.241 117.781 115.700 -0.266 0.000 2.382 368 S HA -0.085 3.788 4.470 -0.994 0.000 0.228 368 S C 1.701 176.166 174.600 -0.224 0.000 1.027 368 S CA 1.226 59.309 58.200 -0.195 0.000 0.991 368 S CB -1.032 62.086 63.200 -0.138 0.000 0.823 368 S HN 0.811 nan 8.310 nan 0.000 0.469 369 I N -1.878 118.450 120.570 -0.404 0.000 3.806 369 I HA 0.384 3.957 4.170 -0.994 0.000 0.321 369 I C -0.109 175.895 176.117 -0.189 0.000 1.315 369 I CA -0.518 60.589 61.300 -0.322 0.000 1.148 369 I CB -0.753 36.949 38.000 -0.496 0.000 1.028 369 I HN 0.030 nan 8.210 nan 0.000 0.415 370 K N 1.582 121.901 120.400 -0.135 0.000 3.077 370 K HA -0.194 3.529 4.320 -0.994 0.000 0.264 370 K C 0.314 176.907 176.600 -0.013 0.000 1.008 370 K CA 0.636 56.891 56.287 -0.054 0.000 0.740 370 K CB -1.443 31.033 32.500 -0.040 0.000 1.273 370 K HN 0.567 nan 8.250 nan 0.000 0.477 371 R N 0.206 120.707 120.500 0.002 0.000 2.659 371 R HA 0.176 3.919 4.340 -0.994 0.000 0.418 371 R C -0.373 176.000 176.300 0.120 0.000 1.076 371 R CA -0.502 55.645 56.100 0.078 0.000 1.093 371 R CB 0.351 30.725 30.300 0.123 0.000 1.400 371 R HN 0.202 nan 8.270 nan 0.000 0.583 372 F N 0.672 120.601 119.950 -0.035 0.000 2.578 372 F HA 0.207 4.137 4.527 -0.995 0.000 0.376 372 F C 1.460 177.330 175.800 0.117 0.000 1.085 372 F CA 1.688 59.677 58.000 -0.018 0.000 1.260 372 F CB 0.794 39.761 39.000 -0.055 0.000 1.095 372 F HN 0.418 nan 8.300 nan 0.000 0.573 373 G N 3.287 111.969 108.800 -0.197 0.000 2.168 373 G HA2 -0.311 3.053 3.960 -0.994 0.000 0.263 373 G HA3 -0.311 3.053 3.960 -0.994 0.000 0.263 373 G C 0.332 175.175 174.900 -0.094 0.000 0.977 373 G CA 0.450 45.429 45.100 -0.201 0.000 0.659 373 G HN 1.143 nan 8.290 nan 0.000 0.533 374 S N -0.953 114.728 115.700 -0.032 0.000 2.661 374 S HA 0.565 4.438 4.470 -0.994 0.000 0.265 374 S C 1.376 175.924 174.600 -0.086 0.000 1.225 374 S CA 0.490 58.673 58.200 -0.029 0.000 0.986 374 S CB 1.586 64.799 63.200 0.022 0.000 1.008 374 S HN 0.335 nan 8.310 nan 0.000 0.565 375 K N 0.216 120.580 120.400 -0.059 0.000 2.002 375 K HA -0.065 3.659 4.320 -0.994 0.000 0.209 375 K C 2.446 178.991 176.600 -0.091 0.000 1.048 375 K CA 1.228 57.470 56.287 -0.074 0.000 0.930 375 K CB -0.946 31.530 32.500 -0.041 0.000 0.714 375 K HN 0.734 nan 8.250 nan 0.000 0.438 376 A N 0.813 123.608 122.820 -0.043 0.000 1.917 376 A HA -0.280 3.444 4.320 -0.994 0.000 0.219 376 A C 2.023 179.456 177.584 -0.252 0.000 1.182 376 A CA 2.000 54.025 52.037 -0.021 0.000 0.633 376 A CB -1.092 17.992 19.000 0.141 0.000 0.819 376 A HN 0.603 nan 8.150 nan 0.000 0.448 377 H N -1.391 117.286 119.070 -0.656 0.000 2.290 377 H HA -0.154 3.805 4.556 -0.994 0.000 0.298 377 H C 2.101 177.047 175.328 -0.636 0.000 1.087 377 H CA 1.719 57.050 56.048 -1.195 0.000 1.291 377 H CB -0.090 29.140 29.762 -0.886 0.000 1.369 377 H HN 0.348 nan 8.280 nan 0.000 0.492 378 M N 0.871 120.178 119.600 -0.488 0.000 2.086 378 M HA -0.150 3.733 4.480 -0.994 0.000 0.261 378 M C 1.812 177.963 176.300 -0.248 0.000 1.067 378 M CA 1.113 56.159 55.300 -0.423 0.000 1.116 378 M CB -0.875 31.540 32.600 -0.307 0.000 1.348 378 M HN 0.329 nan 8.290 nan 0.000 0.407 379 D N 0.043 120.336 120.400 -0.178 0.000 2.106 379 D HA -0.208 3.836 4.640 -0.994 0.000 0.191 379 D C 2.043 178.302 176.300 -0.068 0.000 0.997 379 D CA 1.564 55.507 54.000 -0.097 0.000 0.834 379 D CB -0.397 40.369 40.800 -0.057 0.000 0.956 379 D HN 0.248 nan 8.370 nan 0.000 0.448 380 R N 0.314 120.769 120.500 -0.074 0.000 2.091 380 R HA -0.105 3.638 4.340 -0.994 0.000 0.238 380 R C 2.226 178.537 176.300 0.017 0.000 1.136 380 R CA 0.860 56.968 56.100 0.013 0.000 0.959 380 R CB -0.760 29.596 30.300 0.093 0.000 0.856 380 R HN 0.125 nan 8.270 nan 0.000 0.437 381 L N 0.659 121.851 121.223 -0.051 0.000 2.131 381 L HA -0.085 3.659 4.340 -0.994 0.000 0.210 381 L C 2.106 179.033 176.870 0.094 0.000 1.092 381 L CA 1.932 56.783 54.840 0.019 0.000 0.759 381 L CB -0.406 41.582 42.059 -0.119 0.000 0.903 381 L HN 0.312 nan 8.230 nan 0.000 0.435 382 E N -0.379 119.817 120.200 -0.006 0.000 2.072 382 E HA -0.240 3.514 4.350 -0.994 0.000 0.190 382 E C 2.141 178.716 176.600 -0.042 0.000 0.982 382 E CA 1.361 57.742 56.400 -0.033 0.000 0.803 382 E CB -0.142 29.524 29.700 -0.056 0.000 0.755 382 E HN 0.520 nan 8.360 nan 0.000 0.453 383 E N -0.490 119.703 120.200 -0.013 0.000 2.118 383 E HA -0.165 3.589 4.350 -0.994 0.000 0.195 383 E C 1.917 178.520 176.600 0.006 0.000 0.992 383 E CA 1.380 57.782 56.400 0.003 0.000 0.804 383 E CB 0.106 29.826 29.700 0.034 0.000 0.741 383 E HN 0.195 nan 8.360 nan 0.000 0.458 384 V N 1.744 121.670 119.914 0.021 0.000 2.379 384 V HA -0.236 3.287 4.120 -0.994 0.000 0.245 384 V C 2.377 178.408 176.094 -0.105 0.000 1.044 384 V CA 1.792 64.080 62.300 -0.020 0.000 1.036 384 V CB -0.737 31.041 31.823 -0.074 0.000 0.664 384 V HN 0.426 nan 8.190 nan 0.000 0.453 385 N N 0.474 119.055 118.700 -0.198 0.000 2.036 385 N HA -0.251 3.892 4.740 -0.994 0.000 0.195 385 N C 1.943 177.214 175.510 -0.398 0.000 1.037 385 N CA 1.770 54.375 53.050 -0.742 0.000 0.855 385 N CB -0.045 37.924 38.487 -0.863 0.000 1.033 385 N HN 0.476 nan 8.380 nan 0.000 0.423 386 K N 0.678 120.947 120.400 -0.219 0.000 2.032 386 K HA -0.191 3.532 4.320 -0.994 0.000 0.209 386 K C 2.037 178.584 176.600 -0.088 0.000 1.048 386 K CA 1.341 57.548 56.287 -0.135 0.000 0.927 386 K CB -0.224 32.227 32.500 -0.081 0.000 0.712 386 K HN 0.358 nan 8.250 nan 0.000 0.441 387 E N 0.980 121.151 120.200 -0.048 0.000 2.077 387 E HA -0.180 3.574 4.350 -0.994 0.000 0.193 387 E C 1.989 178.597 176.600 0.014 0.000 0.989 387 E CA 0.981 57.388 56.400 0.013 0.000 0.800 387 E CB 0.005 29.755 29.700 0.084 0.000 0.746 387 E HN 0.232 nan 8.360 nan 0.000 0.452 388 I N 1.073 121.631 120.570 -0.021 0.000 2.142 388 I HA -0.239 3.335 4.170 -0.994 0.000 0.240 388 I C 2.448 178.537 176.117 -0.048 0.000 1.078 388 I CA 0.988 62.283 61.300 -0.009 0.000 1.343 388 I CB -0.270 37.706 38.000 -0.040 0.000 1.046 388 I HN 0.104 nan 8.210 nan 0.000 0.405 389 E N 0.106 120.237 120.200 -0.114 0.000 2.171 389 E HA -0.227 3.526 4.350 -0.994 0.000 0.197 389 E C 2.221 178.787 176.600 -0.056 0.000 0.997 389 E CA 1.458 57.797 56.400 -0.100 0.000 0.810 389 E CB -0.111 29.505 29.700 -0.140 0.000 0.738 389 E HN 0.315 nan 8.360 nan 0.000 0.467 390 S N -1.140 114.534 115.700 -0.042 0.000 2.514 390 S HA -0.017 3.856 4.470 -0.994 0.000 0.223 390 S C 1.791 176.386 174.600 -0.008 0.000 1.046 390 S CA 0.958 59.144 58.200 -0.024 0.000 0.914 390 S CB 0.319 63.505 63.200 -0.022 0.000 0.807 390 S HN 0.432 nan 8.310 nan 0.000 0.497 391 T N -1.479 113.076 114.554 0.003 0.000 2.971 391 T HA 0.205 3.958 4.350 -0.994 0.000 0.252 391 T C 1.026 175.735 174.700 0.014 0.000 1.022 391 T CA 1.174 63.281 62.100 0.012 0.000 0.980 391 T CB 0.070 68.953 68.868 0.026 0.000 1.044 391 T HN 0.771 nan 8.240 nan 0.000 0.501 392 S N -0.985 114.726 115.700 0.019 0.000 2.857 392 S HA -0.186 3.688 4.470 -0.994 0.000 0.268 392 S C 0.269 174.901 174.600 0.054 0.000 1.297 392 S CA 1.320 59.535 58.200 0.026 0.000 1.280 392 S CB -2.699 60.508 63.200 0.010 0.000 1.562 392 S HN 1.124 nan 8.310 nan 0.000 0.661 393 T N -0.163 114.439 114.554 0.079 0.000 2.626 393 T HA 0.718 4.471 4.350 -0.994 0.000 0.299 393 T C -1.557 173.288 174.700 0.243 0.000 1.181 393 T CA 0.004 62.183 62.100 0.131 0.000 1.053 393 T CB 1.280 70.158 68.868 0.017 0.000 1.566 393 T HN 1.426 nan 8.240 nan 0.000 0.486 394 Y N -0.744 119.562 120.300 0.010 0.000 2.725 394 Y HA 0.814 4.769 4.550 -0.992 0.000 0.333 394 Y C -1.640 174.278 175.900 0.030 0.000 1.242 394 Y CA -1.241 56.877 58.100 0.030 0.000 1.059 394 Y CB 1.043 39.541 38.460 0.063 0.000 1.306 394 Y HN 0.385 nan 8.280 nan 0.000 0.454 395 Q N 2.166 121.979 119.800 0.022 0.000 2.340 395 Q HA 0.467 4.211 4.340 -0.994 0.000 0.268 395 Q C -1.106 174.915 176.000 0.035 0.000 1.031 395 Q CA -0.769 55.004 55.803 -0.051 0.000 0.804 395 Q CB 2.980 31.733 28.738 0.024 0.000 1.286 395 Q HN 0.775 nan 8.270 nan 0.000 0.448 396 L N 2.426 123.635 121.223 -0.023 0.000 2.380 396 L HA 0.215 3.959 4.340 -0.994 0.000 0.273 396 L C 0.818 177.719 176.870 0.053 0.000 1.138 396 L CA -0.443 54.434 54.840 0.062 0.000 0.832 396 L CB 0.327 42.401 42.059 0.024 0.000 1.124 396 L HN 0.215 nan 8.230 nan 0.000 0.454 397 K N 1.816 122.255 120.400 0.064 0.000 2.336 397 K HA -0.006 3.717 4.320 -0.994 0.000 0.262 397 K C 0.510 177.104 176.600 -0.011 0.000 0.992 397 K CA -0.251 56.052 56.287 0.027 0.000 0.927 397 K CB 0.575 33.089 32.500 0.024 0.000 0.956 397 K HN 0.466 nan 8.250 nan 0.000 0.495 398 D N 0.806 121.200 120.400 -0.010 0.000 2.149 398 D HA -0.152 3.892 4.640 -0.994 0.000 0.198 398 D C 1.727 178.012 176.300 -0.026 0.000 0.990 398 D CA 2.031 56.016 54.000 -0.025 0.000 0.839 398 D CB -0.254 40.538 40.800 -0.014 0.000 0.948 398 D HN 0.734 nan 8.370 nan 0.000 0.460 399 T N -1.003 113.538 114.554 -0.022 0.000 2.788 399 T HA -0.138 3.615 4.350 -0.994 0.000 0.268 399 T C 1.793 176.439 174.700 -0.090 0.000 1.044 399 T CA 1.128 63.222 62.100 -0.009 0.000 1.139 399 T CB -0.352 68.538 68.868 0.037 0.000 0.867 399 T HN 0.225 nan 8.240 nan 0.000 0.454 400 E N 0.807 120.874 120.200 -0.222 0.000 2.106 400 E HA 0.025 3.778 4.350 -0.994 0.000 0.192 400 E C 2.103 178.756 176.600 0.089 0.000 0.984 400 E CA 0.802 57.088 56.400 -0.190 0.000 0.806 400 E CB -0.289 29.365 29.700 -0.078 0.000 0.750 400 E HN 0.297 nan 8.360 nan 0.000 0.458 401 L N 1.059 122.276 121.223 -0.009 0.000 2.046 401 L HA -0.163 3.581 4.340 -0.994 0.000 0.208 401 L C 2.048 178.892 176.870 -0.042 0.000 1.077 401 L CA 1.526 56.316 54.840 -0.084 0.000 0.747 401 L CB -0.145 41.821 42.059 -0.155 0.000 0.896 401 L HN 0.110 nan 8.230 nan 0.000 0.432 402 I N -2.023 118.554 120.570 0.012 0.000 2.202 402 I HA -0.321 3.252 4.170 -0.994 0.000 0.242 402 I C 2.346 178.561 176.117 0.162 0.000 1.091 402 I CA 1.474 62.801 61.300 0.045 0.000 1.368 402 I CB -0.475 37.550 38.000 0.042 0.000 1.058 402 I HN 0.315 nan 8.210 nan 0.000 0.410 403 Y N 1.733 122.113 120.300 0.133 0.000 2.128 403 Y HA -0.224 3.729 4.550 -0.995 0.000 0.284 403 Y C 2.386 178.475 175.900 0.316 0.000 1.154 403 Y CA 1.787 60.047 58.100 0.267 0.000 1.149 403 Y CB -0.749 37.857 38.460 0.244 0.000 0.976 403 Y HN 0.086 nan 8.280 nan 0.000 0.505 404 G N -0.331 108.650 108.800 0.302 0.000 2.402 404 G HA2 -0.228 3.135 3.960 -0.994 0.000 0.216 404 G HA3 -0.228 3.135 3.960 -0.994 0.000 0.216 404 G C 1.801 176.682 174.900 -0.032 0.000 1.162 404 G CA 0.912 46.098 45.100 0.143 0.000 0.777 404 G HN 0.614 nan 8.290 nan 0.000 0.539 405 A N 0.830 123.624 122.820 -0.044 0.000 1.902 405 A HA 0.008 3.732 4.320 -0.994 0.000 0.217 405 A C 2.300 179.932 177.584 0.080 0.000 1.181 405 A CA 1.955 53.960 52.037 -0.053 0.000 0.623 405 A CB -0.343 18.631 19.000 -0.044 0.000 0.818 405 A HN 0.370 nan 8.150 nan 0.000 0.443 406 K N -1.457 119.031 120.400 0.146 0.000 2.097 406 K HA -0.137 3.586 4.320 -0.994 0.000 0.205 406 K C 1.925 178.595 176.600 0.116 0.000 1.050 406 K CA 1.622 58.068 56.287 0.264 0.000 0.938 406 K CB -0.262 32.420 32.500 0.303 0.000 0.718 406 K HN 0.644 nan 8.250 nan 0.000 0.442 407 H N -0.148 118.851 119.070 -0.118 0.000 2.428 407 H HA 0.058 4.017 4.556 -0.995 0.000 0.296 407 H C 1.881 177.092 175.328 -0.196 0.000 1.062 407 H CA 1.182 57.056 56.048 -0.291 0.000 1.350 407 H CB -0.033 29.441 29.762 -0.481 0.000 1.403 407 H HN 0.231 nan 8.280 nan 0.000 0.533 408 A N 0.368 123.122 122.820 -0.109 0.000 1.933 408 A HA -0.205 3.518 4.320 -0.994 0.000 0.218 408 A C 2.018 179.622 177.584 0.034 0.000 1.175 408 A CA 1.481 53.355 52.037 -0.270 0.000 0.628 408 A CB -0.904 17.577 19.000 -0.865 0.000 0.814 408 A HN 0.610 nan 8.150 nan 0.000 0.444 409 W N 0.837 122.147 121.300 0.016 0.000 2.379 409 W HA -0.079 3.987 4.660 -0.991 0.000 0.307 409 W C 2.307 178.799 176.519 -0.045 0.000 1.200 409 W CA 1.364 58.764 57.345 0.091 0.000 1.297 409 W CB -0.644 28.863 29.460 0.077 0.000 1.140 409 W HN 0.349 nan 8.180 nan 0.000 0.507 410 R N 0.338 120.740 120.500 -0.163 0.000 2.105 410 R HA -0.186 3.558 4.340 -0.994 0.000 0.239 410 R C 1.462 177.583 176.300 -0.300 0.000 1.135 410 R CA 1.792 57.569 56.100 -0.539 0.000 0.967 410 R CB -0.517 29.050 30.300 -1.223 0.000 0.861 410 R HN 0.089 nan 8.270 nan 0.000 0.442 411 N N 0.257 118.852 118.700 -0.174 0.000 2.461 411 N HA 0.015 4.159 4.740 -0.994 0.000 0.188 411 N C -0.379 175.102 175.510 -0.048 0.000 1.134 411 N CA 0.591 53.572 53.050 -0.114 0.000 0.878 411 N CB 0.477 38.913 38.487 -0.085 0.000 0.972 411 N HN 0.153 nan 8.380 nan 0.000 0.456 412 A N 1.038 123.885 122.820 0.045 0.000 2.545 412 A HA 0.165 3.888 4.320 -0.994 0.000 0.297 412 A C 1.447 179.042 177.584 0.018 0.000 1.340 412 A CA -0.164 51.921 52.037 0.080 0.000 1.016 412 A CB -0.236 18.887 19.000 0.206 0.000 1.122 412 A HN 0.278 nan 8.150 nan 0.000 0.537 413 S N 2.765 118.428 115.700 -0.061 0.000 2.447 413 S HA -0.159 3.714 4.470 -0.994 0.000 0.233 413 S C 1.501 176.054 174.600 -0.079 0.000 1.006 413 S CA 1.079 59.231 58.200 -0.079 0.000 0.957 413 S CB -0.217 62.895 63.200 -0.147 0.000 0.773 413 S HN 0.754 nan 8.310 nan 0.000 0.507 414 R N -0.170 120.245 120.500 -0.141 0.000 2.310 414 R HA 0.245 3.988 4.340 -0.994 0.000 0.202 414 R C 0.350 176.654 176.300 0.007 0.000 0.933 414 R CA 0.164 56.185 56.100 -0.132 0.000 1.054 414 R CB -0.235 29.764 30.300 -0.502 0.000 0.985 414 R HN 0.466 nan 8.270 nan 0.000 0.489 415 C N 0.348 119.654 119.300 0.010 0.000 2.265 415 C HA 0.236 4.100 4.460 -0.994 0.000 0.332 415 C C 1.931 176.897 174.990 -0.041 0.000 1.248 415 C CA -0.765 58.288 59.018 0.058 0.000 1.727 415 C CB 0.487 28.340 27.740 0.189 0.000 2.348 415 C HN 0.287 nan 8.230 nan 0.000 0.519 416 V N 5.897 125.734 119.914 -0.127 0.000 3.217 416 V HA 0.159 3.683 4.120 -0.994 0.000 0.264 416 V C 1.834 177.962 176.094 0.056 0.000 1.135 416 V CA 2.335 64.468 62.300 -0.278 0.000 1.142 416 V CB -0.214 31.472 31.823 -0.228 0.000 0.754 416 V HN 1.080 nan 8.190 nan 0.000 0.484 417 G N -0.768 108.103 108.800 0.117 0.000 3.448 417 G HA2 0.063 3.427 3.960 -0.994 0.000 0.261 417 G HA3 0.063 3.427 3.960 -0.994 0.000 0.261 417 G C 1.207 176.166 174.900 0.098 0.000 1.173 417 G CA -0.352 44.830 45.100 0.137 0.000 0.835 417 G HN 0.442 nan 8.290 nan 0.000 0.534 418 R N -0.159 120.340 120.500 -0.002 0.000 2.316 418 R HA 0.161 3.905 4.340 -0.994 0.000 0.202 418 R C 1.992 177.814 176.300 -0.797 0.000 1.029 418 R CA 0.018 55.843 56.100 -0.458 0.000 1.018 418 R CB -0.138 29.980 30.300 -0.303 0.000 0.888 418 R HN 0.438 nan 8.270 nan 0.000 0.471 419 I N 1.046 121.266 120.570 -0.584 0.000 2.530 419 I HA -0.275 3.299 4.170 -0.994 0.000 0.257 419 I C 1.316 177.257 176.117 -0.292 0.000 1.179 419 I CA 1.355 62.413 61.300 -0.403 0.000 1.440 419 I CB 0.172 38.144 38.000 -0.046 0.000 1.087 419 I HN 0.217 nan 8.210 nan 0.000 0.440 420 Q N 0.419 120.011 119.800 -0.347 0.000 2.403 420 Q HA -0.099 3.644 4.340 -0.994 0.000 0.203 420 Q C 1.653 177.197 176.000 -0.761 0.000 0.932 420 Q CA 0.460 56.065 55.803 -0.329 0.000 0.945 420 Q CB -0.194 28.530 28.738 -0.023 0.000 1.045 420 Q HN 0.792 nan 8.270 nan 0.000 0.511 421 W N 1.253 121.860 121.300 -1.154 0.000 2.308 421 W HA -0.218 3.844 4.660 -0.996 0.000 0.301 421 W C 1.297 177.449 176.519 -0.611 0.000 1.220 421 W CA 1.569 58.025 57.345 -1.481 0.000 1.240 421 W CB -1.244 27.538 29.460 -1.130 0.000 1.142 421 W HN 0.163 nan 8.180 nan 0.000 0.521 422 S N 0.669 115.503 115.700 -1.444 0.000 2.562 422 S HA 0.056 3.929 4.470 -0.994 0.000 0.221 422 S C 0.538 174.859 174.600 -0.466 0.000 0.975 422 S CA 0.156 57.646 58.200 -1.184 0.000 0.918 422 S CB -0.402 61.890 63.200 -1.514 0.000 0.772 422 S HN 0.241 nan 8.310 nan 0.000 0.531 423 K N 1.402 121.629 120.400 -0.288 0.000 2.423 423 K HA 0.527 4.250 4.320 -0.994 0.000 0.234 423 K C -1.405 175.280 176.600 0.142 0.000 1.051 423 K CA -0.336 55.917 56.287 -0.055 0.000 1.021 423 K CB 1.097 33.589 32.500 -0.014 0.000 1.474 423 K HN 0.201 nan 8.250 nan 0.000 0.474 424 L N 1.920 123.212 121.223 0.116 0.000 2.439 424 L HA 0.319 4.062 4.340 -0.994 0.000 0.270 424 L C -1.300 175.560 176.870 -0.017 0.000 0.972 424 L CA -0.575 54.362 54.840 0.163 0.000 0.836 424 L CB 1.890 44.125 42.059 0.293 0.000 1.255 424 L HN 0.329 nan 8.230 nan 0.000 0.404 425 Q N 3.228 122.963 119.800 -0.109 0.000 2.295 425 Q HA 0.528 4.272 4.340 -0.994 0.000 0.259 425 Q C -1.524 174.126 176.000 -0.583 0.000 0.976 425 Q CA -0.030 55.546 55.803 -0.378 0.000 0.923 425 Q CB 1.223 29.665 28.738 -0.494 0.000 1.185 425 Q HN 0.535 nan 8.270 nan 0.000 0.410 426 V N 6.070 125.650 119.914 -0.556 0.000 2.398 426 V HA 0.415 3.938 4.120 -0.994 0.000 0.286 426 V C -0.759 174.970 176.094 -0.608 0.000 1.026 426 V CA -0.548 61.477 62.300 -0.458 0.000 0.868 426 V CB 0.614 32.297 31.823 -0.235 0.000 0.982 426 V HN 0.644 nan 8.190 nan 0.000 0.443 427 F N 2.634 122.461 119.950 -0.206 0.000 2.361 427 F HA 0.353 4.287 4.527 -0.988 0.000 0.364 427 F C 0.529 176.158 175.800 -0.285 0.000 1.120 427 F CA -1.170 56.702 58.000 -0.213 0.000 1.102 427 F CB 0.958 39.851 39.000 -0.178 0.000 1.183 427 F HN 0.421 nan 8.300 nan 0.000 0.476 428 D N 3.360 123.713 120.400 -0.079 0.000 2.359 428 D HA 0.276 4.320 4.640 -0.994 0.000 0.250 428 D C 0.318 176.431 176.300 -0.312 0.000 1.264 428 D CA 0.249 54.132 54.000 -0.195 0.000 0.911 428 D CB 0.941 41.674 40.800 -0.112 0.000 1.056 428 D HN 0.618 nan 8.370 nan 0.000 0.499 429 A N 4.585 127.032 122.820 -0.622 0.000 2.610 429 A HA 0.150 3.873 4.320 -0.994 0.000 0.286 429 A C 1.629 178.892 177.584 -0.536 0.000 1.306 429 A CA -0.389 51.017 52.037 -1.051 0.000 0.942 429 A CB 0.020 17.854 19.000 -1.944 0.000 1.112 429 A HN 0.516 nan 8.150 nan 0.000 0.527 430 R N 0.527 120.848 120.500 -0.298 0.000 2.316 430 R HA -0.072 3.672 4.340 -0.994 0.000 0.202 430 R C 0.653 176.904 176.300 -0.082 0.000 1.029 430 R CA 1.140 57.143 56.100 -0.161 0.000 1.018 430 R CB 0.071 30.323 30.300 -0.081 0.000 0.888 430 R HN 0.665 nan 8.270 nan 0.000 0.471 431 D N -0.859 119.521 120.400 -0.033 0.000 2.339 431 D HA -0.053 3.991 4.640 -0.994 0.000 0.217 431 D C 0.269 176.653 176.300 0.140 0.000 1.050 431 D CA -0.288 53.750 54.000 0.064 0.000 0.856 431 D CB -0.487 40.371 40.800 0.098 0.000 0.922 431 D HN -0.016 nan 8.370 nan 0.000 0.518 432 C N 1.375 120.760 119.300 0.142 0.000 2.644 432 C HA 0.453 4.316 4.460 -0.994 0.000 0.417 432 C C 1.816 177.003 174.990 0.328 0.000 1.304 432 C CA 0.739 59.939 59.018 0.303 0.000 2.035 432 C CB 0.040 28.022 27.740 0.403 0.000 2.673 432 C HN 0.555 nan 8.230 nan 0.000 0.602 433 T N 0.196 114.976 114.554 0.377 0.000 2.986 433 T HA 0.269 4.022 4.350 -0.994 0.000 0.264 433 T C 0.302 175.189 174.700 0.311 0.000 0.964 433 T CA 0.571 62.909 62.100 0.396 0.000 0.895 433 T CB -0.129 68.890 68.868 0.251 0.000 1.163 433 T HN 0.890 nan 8.240 nan 0.000 0.517 434 T N -1.933 112.790 114.554 0.281 0.000 2.838 434 T HA 0.808 4.561 4.350 -0.994 0.000 0.292 434 T C 1.325 176.125 174.700 0.166 0.000 1.113 434 T CA -0.218 61.989 62.100 0.179 0.000 1.008 434 T CB 1.399 70.379 68.868 0.188 0.000 1.259 434 T HN 0.049 nan 8.240 nan 0.000 0.520 435 A N -0.213 122.685 122.820 0.130 0.000 1.968 435 A HA 0.033 3.757 4.320 -0.994 0.000 0.217 435 A C 1.977 179.556 177.584 -0.009 0.000 1.169 435 A CA 1.580 53.672 52.037 0.091 0.000 0.638 435 A CB -1.417 17.693 19.000 0.183 0.000 0.812 435 A HN 0.996 nan 8.150 nan 0.000 0.446 436 H N -0.599 118.537 119.070 0.111 0.000 2.353 436 H HA -0.040 5.353 4.556 1.395 0.000 0.300 436 H C 2.369 177.706 175.328 0.015 0.000 1.090 436 H CA 1.771 57.838 56.048 0.031 0.000 1.327 436 H CB -0.229 29.630 29.762 0.161 0.000 1.383 436 H HN 0.480 nan 8.280 nan 0.000 0.508 437 G N -0.143 108.784 108.800 0.211 0.000 2.422 437 G HA2 -0.257 3.107 3.960 -0.994 0.000 0.218 437 G HA3 -0.257 3.107 3.960 -0.994 0.000 0.218 437 G C 1.609 176.680 174.900 0.285 0.000 1.146 437 G CA 0.945 46.176 45.100 0.218 0.000 0.769 437 G HN 0.294 nan 8.290 nan 0.000 0.547 438 M N -0.543 119.176 119.600 0.199 0.000 2.117 438 M HA 0.043 3.926 4.480 -0.994 0.000 0.262 438 M C 2.302 178.652 176.300 0.084 0.000 1.065 438 M CA 1.242 56.604 55.300 0.103 0.000 1.114 438 M CB -0.401 32.053 32.600 -0.242 0.000 1.361 438 M HN 0.305 nan 8.290 nan 0.000 0.408 439 F N 1.256 121.007 119.950 -0.331 0.000 2.095 439 F HA -0.299 3.708 4.527 -0.867 0.000 0.298 439 F C 2.136 177.822 175.800 -0.190 0.000 1.104 439 F CA 1.893 59.620 58.000 -0.456 0.000 1.232 439 F CB -0.227 38.100 39.000 -1.122 0.000 0.987 439 F HN 0.166 nan 8.300 nan 0.000 0.475 440 N N -0.240 118.308 118.700 -0.253 0.000 2.043 440 N HA -0.277 3.866 4.740 -0.994 0.000 0.193 440 N C 1.807 177.161 175.510 -0.260 0.000 1.037 440 N CA 2.199 55.062 53.050 -0.313 0.000 0.851 440 N CB -0.843 37.522 38.487 -0.203 0.000 1.027 440 N HN 0.477 nan 8.380 nan 0.000 0.422 441 Y N 0.252 120.518 120.300 -0.056 0.000 2.193 441 Y HA -0.139 3.810 4.550 -1.000 0.000 0.285 441 Y C 2.184 178.061 175.900 -0.038 0.000 1.166 441 Y CA 1.181 59.269 58.100 -0.020 0.000 1.181 441 Y CB -0.102 38.456 38.460 0.164 0.000 0.976 441 Y HN 0.154 nan 8.280 nan 0.000 0.520 442 I N -1.855 118.798 120.570 0.138 0.000 2.286 442 I HA -0.299 3.274 4.170 -0.994 0.000 0.245 442 I C 2.293 178.355 176.117 -0.092 0.000 1.104 442 I CA 0.575 61.902 61.300 0.045 0.000 1.397 442 I CB -0.398 37.625 38.000 0.038 0.000 1.072 442 I HN 0.291 nan 8.210 nan 0.000 0.417 443 C N 0.922 120.048 119.300 -0.290 0.000 2.413 443 C HA -0.154 3.709 4.460 -0.994 0.000 0.276 443 C C 2.626 177.519 174.990 -0.163 0.000 1.236 443 C CA 1.006 59.838 59.018 -0.309 0.000 1.735 443 C CB -1.370 26.048 27.740 -0.536 0.000 2.031 443 C HN 0.549 nan 8.230 nan 0.000 0.474 444 N N -0.235 118.357 118.700 -0.181 0.000 2.166 444 N HA -0.131 4.012 4.740 -0.994 0.000 0.186 444 N C 1.433 176.866 175.510 -0.129 0.000 1.019 444 N CA 1.385 54.325 53.050 -0.182 0.000 0.856 444 N CB -0.838 37.472 38.487 -0.295 0.000 0.993 444 N HN 0.765 nan 8.380 nan 0.000 0.426 445 H N 0.234 119.187 119.070 -0.196 0.000 2.321 445 H HA -0.015 3.945 4.556 -0.994 0.000 0.300 445 H C 1.793 177.169 175.328 0.080 0.000 1.087 445 H CA 1.506 57.526 56.048 -0.047 0.000 1.319 445 H CB 0.121 29.907 29.762 0.041 0.000 1.379 445 H HN -0.093 nan 8.280 nan 0.000 0.501 446 V N 0.991 121.057 119.914 0.254 0.000 2.343 446 V HA -0.251 3.273 4.120 -0.994 0.000 0.247 446 V C 2.495 178.671 176.094 0.138 0.000 1.051 446 V CA 2.251 64.657 62.300 0.177 0.000 1.036 446 V CB -0.515 31.334 31.823 0.044 0.000 0.654 446 V HN 0.425 nan 8.190 nan 0.000 0.451 447 K N -0.956 119.494 120.400 0.083 0.000 2.057 447 K HA -0.217 3.506 4.320 -0.994 0.000 0.206 447 K C 2.276 178.926 176.600 0.084 0.000 1.050 447 K CA 1.730 58.050 56.287 0.056 0.000 0.935 447 K CB -0.328 32.182 32.500 0.016 0.000 0.715 447 K HN 0.513 nan 8.250 nan 0.000 0.439 448 Y N 0.864 121.176 120.300 0.021 0.000 2.128 448 Y HA -0.243 3.709 4.550 -0.996 0.000 0.284 448 Y C 1.990 177.951 175.900 0.101 0.000 1.154 448 Y CA 1.923 60.063 58.100 0.066 0.000 1.149 448 Y CB -0.402 38.128 38.460 0.117 0.000 0.976 448 Y HN 0.160 nan 8.280 nan 0.000 0.505 449 A N -0.808 122.151 122.820 0.231 0.000 1.930 449 A HA -0.148 3.575 4.320 -0.994 0.000 0.217 449 A C 2.197 179.828 177.584 0.077 0.000 1.175 449 A CA 2.156 54.297 52.037 0.174 0.000 0.627 449 A CB -1.259 17.919 19.000 0.297 0.000 0.815 449 A HN 0.523 nan 8.150 nan 0.000 0.443 450 T N -0.349 114.251 114.554 0.078 0.000 2.737 450 T HA -0.096 3.657 4.350 -0.994 0.000 0.265 450 T C 1.070 175.770 174.700 -0.000 0.000 1.038 450 T CA 1.286 63.423 62.100 0.062 0.000 1.144 450 T CB -0.400 68.507 68.868 0.064 0.000 0.866 450 T HN 0.635 nan 8.240 nan 0.000 0.434 451 N N 1.166 119.835 118.700 -0.052 0.000 2.725 451 N HA -0.219 3.924 4.740 -0.994 0.000 0.251 451 N C -0.374 175.106 175.510 -0.051 0.000 1.031 451 N CA 0.699 53.694 53.050 -0.092 0.000 0.720 451 N CB -1.569 36.821 38.487 -0.161 0.000 0.930 451 N HN 0.593 nan 8.380 nan 0.000 0.543 452 K N -2.429 117.954 120.400 -0.028 0.000 3.016 452 K HA -0.237 3.486 4.320 -0.994 0.000 0.262 452 K C 1.059 177.644 176.600 -0.024 0.000 1.043 452 K CA 1.014 57.288 56.287 -0.022 0.000 0.761 452 K CB -1.834 30.650 32.500 -0.027 0.000 1.230 452 K HN 0.970 nan 8.250 nan 0.000 0.485 453 G N 0.496 109.289 108.800 -0.012 0.000 2.238 453 G HA2 -0.315 3.048 3.960 -0.994 0.000 0.217 453 G HA3 -0.315 3.048 3.960 -0.994 0.000 0.217 453 G C -0.109 174.780 174.900 -0.019 0.000 0.996 453 G CA 0.110 45.205 45.100 -0.009 0.000 0.632 453 G HN 0.476 nan 8.290 nan 0.000 0.503 454 N N 1.454 120.130 118.700 -0.040 0.000 3.188 454 N HA 0.429 4.572 4.740 -0.994 0.000 0.279 454 N C 0.702 176.179 175.510 -0.054 0.000 1.213 454 N CA -0.479 52.530 53.050 -0.069 0.000 1.138 454 N CB -0.178 38.263 38.487 -0.076 0.000 1.417 454 N HN 0.342 nan 8.380 nan 0.000 0.526 455 L N 1.861 123.079 121.223 -0.008 0.000 2.514 455 L HA 0.145 3.889 4.340 -0.994 0.000 0.280 455 L C 0.601 177.577 176.870 0.177 0.000 1.223 455 L CA 0.421 55.329 54.840 0.114 0.000 0.864 455 L CB 0.289 42.513 42.059 0.274 0.000 1.118 455 L HN 0.344 nan 8.230 nan 0.000 0.494 456 R N 1.298 121.910 120.500 0.187 0.000 2.628 456 R HA 0.359 4.102 4.340 -0.994 0.000 0.288 456 R C -0.821 175.644 176.300 0.275 0.000 0.980 456 R CA -0.675 55.560 56.100 0.226 0.000 0.891 456 R CB 2.174 32.479 30.300 0.008 0.000 1.188 456 R HN 0.563 nan 8.270 nan 0.000 0.450 457 S N 1.358 117.226 115.700 0.280 0.000 2.549 457 S HA 0.487 4.361 4.470 -0.994 0.000 0.279 457 S C -0.353 174.301 174.600 0.090 0.000 1.321 457 S CA -0.283 57.984 58.200 0.111 0.000 1.054 457 S CB 1.230 64.474 63.200 0.073 0.000 0.899 457 S HN 0.674 nan 8.310 nan 0.000 0.497 458 A N 2.829 125.654 122.820 0.008 0.000 2.594 458 A HA 0.822 4.546 4.320 -0.994 0.000 0.295 458 A C -1.195 176.378 177.584 -0.018 0.000 1.071 458 A CA -0.656 51.309 52.037 -0.120 0.000 0.685 458 A CB 1.184 20.032 19.000 -0.252 0.000 1.285 458 A HN 0.805 nan 8.150 nan 0.000 0.405 459 I N 0.503 121.053 120.570 -0.032 0.000 2.686 459 I HA 0.661 4.234 4.170 -0.994 0.000 0.295 459 I C -1.040 175.172 176.117 0.158 0.000 1.114 459 I CA -0.138 61.279 61.300 0.195 0.000 1.038 459 I CB 2.435 40.514 38.000 0.133 0.000 1.238 459 I HN 0.591 nan 8.210 nan 0.000 0.420 460 T N 7.799 122.505 114.554 0.254 0.000 2.786 460 T HA 0.569 4.322 4.350 -0.994 0.000 0.283 460 T C -0.421 174.103 174.700 -0.293 0.000 0.992 460 T CA -0.230 61.878 62.100 0.014 0.000 0.954 460 T CB 0.859 69.780 68.868 0.088 0.000 0.934 460 T HN 0.294 nan 8.240 nan 0.000 0.440 461 I N 4.217 124.504 120.570 -0.471 0.000 2.354 461 I HA 0.410 3.984 4.170 -0.994 0.000 0.286 461 I C -0.482 175.285 176.117 -0.584 0.000 1.007 461 I CA -0.681 60.353 61.300 -0.444 0.000 1.167 461 I CB 0.738 38.455 38.000 -0.472 0.000 1.320 461 I HN 0.470 nan 8.210 nan 0.000 0.458 462 F N 6.637 126.501 119.950 -0.143 0.000 2.362 462 F HA 0.443 4.379 4.527 -0.986 0.000 0.311 462 F C -1.867 173.811 175.800 -0.203 0.000 1.161 462 F CA -2.254 55.594 58.000 -0.252 0.000 1.085 462 F CB -0.199 38.681 39.000 -0.200 0.000 1.311 462 F HN 0.216 nan 8.300 nan 0.000 0.524 463 P HA 0.008 nan 4.420 nan 0.000 0.267 463 P C -1.035 176.244 177.300 -0.036 0.000 1.200 463 P CA -0.240 62.728 63.100 -0.219 0.000 0.772 463 P CB 0.265 31.663 31.700 -0.502 0.000 0.855 464 Q N 2.684 122.441 119.800 -0.072 0.000 2.417 464 Q HA 0.174 3.918 4.340 -0.994 0.000 0.241 464 Q C 0.109 176.011 176.000 -0.164 0.000 1.008 464 Q CA -0.623 54.949 55.803 -0.386 0.000 0.901 464 Q CB 0.745 28.981 28.738 -0.837 0.000 1.259 464 Q HN 0.310 nan 8.270 nan 0.000 0.489 465 R N 0.488 120.887 120.500 -0.168 0.000 2.640 465 R HA -0.012 3.731 4.340 -0.994 0.000 0.270 465 R C 0.244 176.509 176.300 -0.059 0.000 1.024 465 R CA 1.129 57.200 56.100 -0.048 0.000 1.085 465 R CB 0.497 30.762 30.300 -0.058 0.000 0.963 465 R HN 0.977 nan 8.270 nan 0.000 0.426 466 T N -0.605 113.949 114.554 -0.001 0.000 3.166 466 T HA 0.016 3.769 4.350 -0.994 0.000 0.182 466 T C 0.921 175.602 174.700 -0.030 0.000 0.810 466 T CA 0.235 62.315 62.100 -0.033 0.000 1.441 466 T CB -0.373 68.464 68.868 -0.052 0.000 2.201 466 T HN 0.698 nan 8.240 nan 0.000 0.414 467 D N 0.651 121.028 120.400 -0.038 0.000 2.340 467 D HA 0.327 4.371 4.640 -0.994 0.000 0.220 467 D C 1.635 177.960 176.300 0.042 0.000 1.039 467 D CA 0.850 54.843 54.000 -0.012 0.000 0.866 467 D CB -0.303 40.471 40.800 -0.043 0.000 0.913 467 D HN 0.966 nan 8.370 nan 0.000 0.523 468 G N 0.711 109.555 108.800 0.072 0.000 2.279 468 G HA2 -0.310 3.054 3.960 -0.994 0.000 0.223 468 G HA3 -0.310 3.054 3.960 -0.994 0.000 0.223 468 G C 0.951 175.927 174.900 0.126 0.000 1.015 468 G CA 0.108 45.255 45.100 0.079 0.000 0.621 468 G HN 0.404 nan 8.290 nan 0.000 0.506 469 K N 0.303 120.830 120.400 0.211 0.000 2.446 469 K HA 0.344 4.068 4.320 -0.994 0.000 0.203 469 K C 0.445 177.133 176.600 0.147 0.000 1.027 469 K CA 0.100 56.501 56.287 0.190 0.000 1.166 469 K CB 0.152 32.745 32.500 0.155 0.000 0.869 469 K HN 0.521 nan 8.250 nan 0.000 0.504 470 H N -0.316 118.791 119.070 0.062 0.000 2.665 470 H HA 0.158 4.119 4.556 -0.993 0.000 0.248 470 H C -1.024 174.365 175.328 0.101 0.000 1.175 470 H CA -0.873 55.214 56.048 0.066 0.000 0.952 470 H CB 0.206 30.018 29.762 0.084 0.000 1.883 470 H HN 0.032 nan 8.280 nan 0.000 0.623 471 D N 0.402 120.904 120.400 0.169 0.000 2.424 471 D HA 0.029 4.073 4.640 -0.994 0.000 0.244 471 D C -0.020 176.364 176.300 0.140 0.000 1.134 471 D CA 0.376 54.489 54.000 0.187 0.000 0.881 471 D CB 0.503 41.376 40.800 0.121 0.000 1.191 471 D HN 0.076 nan 8.370 nan 0.000 0.445 472 F N 2.288 122.282 119.950 0.073 0.000 2.394 472 F HA 0.402 4.330 4.527 -0.998 0.000 0.340 472 F C 0.976 176.804 175.800 0.048 0.000 1.105 472 F CA -0.190 57.835 58.000 0.041 0.000 1.124 472 F CB 0.786 39.812 39.000 0.043 0.000 1.145 472 F HN -0.131 nan 8.300 nan 0.000 0.505 473 R N 1.857 122.460 120.500 0.172 0.000 2.584 473 R HA 0.466 4.209 4.340 -0.994 0.000 0.276 473 R C -1.713 174.707 176.300 0.201 0.000 1.046 473 R CA -0.912 55.297 56.100 0.181 0.000 0.906 473 R CB 1.889 32.306 30.300 0.195 0.000 1.215 473 R HN 0.360 nan 8.270 nan 0.000 0.449 474 V N 2.822 122.832 119.914 0.160 0.000 2.432 474 V HA 0.151 3.674 4.120 -0.994 0.000 0.275 474 V C 0.476 176.749 176.094 0.298 0.000 1.043 474 V CA -0.316 62.091 62.300 0.178 0.000 0.925 474 V CB 1.150 33.014 31.823 0.069 0.000 0.985 474 V HN 0.733 nan 8.190 nan 0.000 0.466 475 W N 2.037 123.389 121.300 0.086 0.000 2.523 475 W HA 0.075 4.155 4.660 -0.966 0.000 0.278 475 W C 1.072 177.650 176.519 0.098 0.000 1.236 475 W CA -0.361 57.118 57.345 0.225 0.000 1.306 475 W CB -0.589 29.160 29.460 0.482 0.000 1.101 475 W HN 0.540 nan 8.180 nan 0.000 0.577 476 N N 0.274 119.020 118.700 0.077 0.000 2.395 476 N HA -0.029 4.115 4.740 -0.994 0.000 0.246 476 N C 1.265 176.632 175.510 -0.239 0.000 1.246 476 N CA 1.012 53.800 53.050 -0.436 0.000 0.879 476 N CB 0.515 38.801 38.487 -0.336 0.000 1.098 476 N HN -0.074 nan 8.380 nan 0.000 0.444 477 S N 0.475 116.011 115.700 -0.273 0.000 2.446 477 S HA -0.010 3.864 4.470 -0.994 0.000 0.225 477 S C 0.283 174.781 174.600 -0.169 0.000 1.016 477 S CA 0.522 58.627 58.200 -0.157 0.000 0.943 477 S CB 0.057 63.217 63.200 -0.067 0.000 0.786 477 S HN 0.659 nan 8.310 nan 0.000 0.508 478 Q N -0.691 118.987 119.800 -0.203 0.000 2.456 478 Q HA 0.515 4.258 4.340 -0.994 0.000 0.283 478 Q C 0.144 175.996 176.000 -0.246 0.000 1.084 478 Q CA -0.574 55.101 55.803 -0.214 0.000 0.801 478 Q CB 1.931 30.579 28.738 -0.150 0.000 1.434 478 Q HN 0.078 nan 8.270 nan 0.000 0.419 479 L N 0.486 121.561 121.223 -0.247 0.000 2.083 479 L HA 0.008 3.751 4.340 -0.994 0.000 0.209 479 L C 0.468 177.179 176.870 -0.266 0.000 1.083 479 L CA 1.328 56.037 54.840 -0.218 0.000 0.752 479 L CB 0.004 41.938 42.059 -0.209 0.000 0.899 479 L HN 0.481 nan 8.230 nan 0.000 0.433 480 I N -0.155 120.168 120.570 -0.411 0.000 2.439 480 I HA 0.346 3.919 4.170 -0.994 0.000 0.285 480 I C -0.372 175.136 176.117 -1.016 0.000 1.021 480 I CA -0.292 60.611 61.300 -0.661 0.000 1.091 480 I CB 1.460 39.017 38.000 -0.738 0.000 1.242 480 I HN 0.041 nan 8.210 nan 0.000 0.439 481 R N 4.266 124.319 120.500 -0.745 0.000 2.764 481 R HA 0.527 4.270 4.340 -0.994 0.000 0.270 481 R C -1.645 174.405 176.300 -0.416 0.000 1.014 481 R CA -1.074 54.667 56.100 -0.599 0.000 0.904 481 R CB 2.448 32.608 30.300 -0.233 0.000 1.236 481 R HN 0.370 nan 8.270 nan 0.000 0.466 482 Y N 0.255 120.572 120.300 0.028 0.000 2.334 482 Y HA 0.448 4.401 4.550 -0.994 0.000 0.328 482 Y C 0.840 176.796 175.900 0.093 0.000 1.130 482 Y CA -0.839 57.335 58.100 0.124 0.000 1.163 482 Y CB 1.555 40.177 38.460 0.270 0.000 1.207 482 Y HN 0.634 nan 8.280 nan 0.000 0.471 483 A N 1.786 124.757 122.820 0.252 0.000 2.466 483 A HA 0.529 4.253 4.320 -0.994 0.000 0.238 483 A C 0.453 177.934 177.584 -0.172 0.000 1.074 483 A CA 0.357 52.382 52.037 -0.020 0.000 0.774 483 A CB -0.232 18.745 19.000 -0.039 0.000 1.015 483 A HN 0.894 nan 8.150 nan 0.000 0.498 484 G N -0.146 108.432 108.800 -0.370 0.000 2.643 484 G HA2 0.586 3.949 3.960 -0.994 0.000 0.305 484 G HA3 0.586 3.949 3.960 -0.994 0.000 0.305 484 G C -1.372 173.280 174.900 -0.412 0.000 1.387 484 G CA -0.309 44.617 45.100 -0.290 0.000 0.982 484 G HN 0.547 nan 8.290 nan 0.000 0.501 485 Y N 0.855 121.174 120.300 0.032 0.000 2.391 485 Y HA 0.442 4.394 4.550 -0.997 0.000 0.341 485 Y C 0.563 176.464 175.900 0.003 0.000 0.965 485 Y CA -1.071 57.043 58.100 0.024 0.000 1.067 485 Y CB 2.272 40.744 38.460 0.020 0.000 1.199 485 Y HN 0.275 nan 8.280 nan 0.000 0.450 486 K N 3.340 123.828 120.400 0.147 0.000 2.368 486 K HA 0.192 3.916 4.320 -0.994 0.000 0.282 486 K C -0.467 176.177 176.600 0.074 0.000 1.035 486 K CA -0.250 56.087 56.287 0.083 0.000 0.973 486 K CB 0.663 33.196 32.500 0.055 0.000 0.957 486 K HN 0.671 nan 8.250 nan 0.000 0.474 487 Q N 2.605 122.434 119.800 0.048 0.000 2.226 487 Q HA 0.155 3.899 4.340 -0.994 0.000 0.256 487 Q C -1.718 174.289 176.000 0.012 0.000 0.962 487 Q CA -2.127 53.691 55.803 0.026 0.000 0.887 487 Q CB 1.341 30.092 28.738 0.020 0.000 1.282 487 Q HN 0.299 nan 8.270 nan 0.000 0.449 488 P HA -0.248 nan 4.420 nan 0.000 0.218 488 P C 0.639 177.939 177.300 -0.001 0.000 1.152 488 P CA 1.605 64.702 63.100 -0.004 0.000 0.857 488 P CB 0.144 31.836 31.700 -0.012 0.000 0.787 489 D N -2.341 118.059 120.400 -0.001 0.000 2.355 489 D HA 0.009 4.052 4.640 -0.994 0.000 0.218 489 D C 1.431 177.734 176.300 0.004 0.000 1.004 489 D CA 1.095 55.095 54.000 0.000 0.000 0.880 489 D CB -0.269 40.530 40.800 -0.002 0.000 0.911 489 D HN 0.275 nan 8.370 nan 0.000 0.528 490 G N 0.544 109.349 108.800 0.008 0.000 2.259 490 G HA2 -0.291 3.072 3.960 -0.994 0.000 0.217 490 G HA3 -0.291 3.072 3.960 -0.994 0.000 0.217 490 G C 0.557 175.465 174.900 0.014 0.000 1.001 490 G CA 0.437 45.544 45.100 0.012 0.000 0.627 490 G HN 0.742 nan 8.290 nan 0.000 0.501 491 S N -0.245 115.462 115.700 0.012 0.000 2.625 491 S HA 0.704 4.577 4.470 -0.994 0.000 0.262 491 S C 0.102 174.712 174.600 0.016 0.000 1.223 491 S CA 0.805 59.012 58.200 0.012 0.000 0.993 491 S CB 1.508 64.713 63.200 0.009 0.000 1.051 491 S HN 0.724 nan 8.310 nan 0.000 0.562 492 T N 1.152 115.711 114.554 0.009 0.000 2.861 492 T HA 0.551 4.304 4.350 -0.994 0.000 0.287 492 T C -1.047 173.657 174.700 0.006 0.000 1.003 492 T CA -0.509 61.597 62.100 0.009 0.000 0.977 492 T CB 1.206 70.064 68.868 -0.017 0.000 0.996 492 T HN 0.597 nan 8.240 nan 0.000 0.448 493 L N 3.367 124.623 121.223 0.055 0.000 2.282 493 L HA 0.749 4.493 4.340 -0.994 0.000 0.288 493 L C 0.674 177.584 176.870 0.068 0.000 1.033 493 L CA 1.086 55.969 54.840 0.071 0.000 0.807 493 L CB 0.111 42.243 42.059 0.120 0.000 1.209 493 L HN 0.981 nan 8.230 nan 0.000 0.423 494 G N 3.910 112.681 108.800 -0.050 0.000 2.488 494 G HA2 -0.239 3.125 3.960 -0.994 0.000 0.237 494 G HA3 -0.239 3.125 3.960 -0.994 0.000 0.237 494 G C -0.698 173.906 174.900 -0.494 0.000 1.209 494 G CA 0.054 45.082 45.100 -0.119 0.000 0.929 494 G HN 0.824 nan 8.290 nan 0.000 0.578 495 D N 1.905 122.149 120.400 -0.261 0.000 2.380 495 D HA 0.536 4.580 4.640 -0.994 0.000 0.230 495 D C -1.020 175.198 176.300 -0.136 0.000 1.154 495 D CA -1.861 51.972 54.000 -0.278 0.000 0.859 495 D CB 1.392 42.327 40.800 0.224 0.000 1.045 495 D HN -0.002 nan 8.370 nan 0.000 0.495 496 P HA -0.047 nan 4.420 nan 0.000 0.222 496 P C 0.931 178.235 177.300 0.007 0.000 1.147 496 P CA 0.633 63.697 63.100 -0.061 0.000 0.790 496 P CB 0.261 31.928 31.700 -0.055 0.000 0.780 497 A N -0.111 122.735 122.820 0.043 0.000 2.070 497 A HA -0.136 3.587 4.320 -0.994 0.000 0.220 497 A C 1.643 179.286 177.584 0.097 0.000 1.159 497 A CA 1.407 53.497 52.037 0.088 0.000 0.656 497 A CB -0.887 18.190 19.000 0.128 0.000 0.800 497 A HN 0.159 nan 8.150 nan 0.000 0.453 498 N N -0.496 118.249 118.700 0.076 0.000 2.234 498 N HA 0.146 4.290 4.740 -0.994 0.000 0.227 498 N C 1.104 176.637 175.510 0.038 0.000 1.151 498 N CA 0.196 53.298 53.050 0.087 0.000 0.865 498 N CB 0.602 39.146 38.487 0.095 0.000 1.066 498 N HN 0.191 nan 8.380 nan 0.000 0.515 499 V N 1.131 121.049 119.914 0.007 0.000 2.252 499 V HA -0.296 3.227 4.120 -0.994 0.000 0.249 499 V C 2.598 178.674 176.094 -0.029 0.000 1.056 499 V CA 1.885 64.170 62.300 -0.025 0.000 1.022 499 V CB -0.413 31.409 31.823 -0.002 0.000 0.641 499 V HN 0.354 nan 8.190 nan 0.000 0.445 500 Q N -1.158 118.637 119.800 -0.009 0.000 2.061 500 Q HA -0.257 3.486 4.340 -0.994 0.000 0.204 500 Q C 2.132 178.002 176.000 -0.216 0.000 0.984 500 Q CA 2.364 58.117 55.803 -0.082 0.000 0.846 500 Q CB -0.233 28.486 28.738 -0.031 0.000 0.902 500 Q HN 0.636 nan 8.270 nan 0.000 0.421 501 F N 0.558 120.311 119.950 -0.330 0.000 2.134 501 F HA -0.179 3.747 4.527 -1.001 0.000 0.299 501 F C 2.142 177.791 175.800 -0.251 0.000 1.097 501 F CA 1.845 59.604 58.000 -0.400 0.000 1.264 501 F CB -0.472 38.389 39.000 -0.231 0.000 1.001 501 F HN 0.014 nan 8.300 nan 0.000 0.479 502 T N -0.135 114.338 114.554 -0.135 0.000 2.759 502 T HA -0.212 3.541 4.350 -0.994 0.000 0.269 502 T C 1.783 176.411 174.700 -0.121 0.000 1.042 502 T CA 1.778 63.783 62.100 -0.158 0.000 1.140 502 T CB -0.341 68.425 68.868 -0.169 0.000 0.864 502 T HN 0.394 nan 8.240 nan 0.000 0.455 503 E N 0.317 120.441 120.200 -0.128 0.000 2.106 503 E HA -0.026 3.727 4.350 -0.994 0.000 0.192 503 E C 2.157 178.660 176.600 -0.162 0.000 0.984 503 E CA 0.718 57.064 56.400 -0.090 0.000 0.806 503 E CB -0.197 29.461 29.700 -0.069 0.000 0.750 503 E HN 0.502 nan 8.360 nan 0.000 0.458 504 I N 0.549 120.945 120.570 -0.291 0.000 2.252 504 I HA -0.313 3.261 4.170 -0.994 0.000 0.245 504 I C 2.444 178.343 176.117 -0.362 0.000 1.102 504 I CA 0.548 61.649 61.300 -0.331 0.000 1.385 504 I CB -0.307 37.457 38.000 -0.392 0.000 1.064 504 I HN 0.248 nan 8.210 nan 0.000 0.414 505 C N 1.030 120.050 119.300 -0.466 0.000 2.413 505 C HA -0.177 3.687 4.460 -0.994 0.000 0.277 505 C C 2.737 177.694 174.990 -0.055 0.000 1.228 505 C CA 0.794 59.600 59.018 -0.354 0.000 1.731 505 C CB -0.899 26.551 27.740 -0.482 0.000 2.042 505 C HN 0.437 nan 8.230 nan 0.000 0.468 506 I N 0.326 120.923 120.570 0.045 0.000 2.226 506 I HA -0.276 3.298 4.170 -0.994 0.000 0.245 506 I C 2.689 178.773 176.117 -0.055 0.000 1.100 506 I CA 1.600 62.933 61.300 0.055 0.000 1.374 506 I CB -0.684 37.355 38.000 0.065 0.000 1.057 506 I HN 0.437 nan 8.210 nan 0.000 0.413 507 Q N 0.536 120.266 119.800 -0.117 0.000 2.096 507 Q HA -0.235 3.508 4.340 -0.994 0.000 0.204 507 Q C 1.965 177.838 176.000 -0.213 0.000 0.982 507 Q CA 1.450 57.150 55.803 -0.172 0.000 0.850 507 Q CB 0.120 28.725 28.738 -0.221 0.000 0.901 507 Q HN 0.461 nan 8.270 nan 0.000 0.422 508 Q N -1.552 118.107 119.800 -0.235 0.000 2.403 508 Q HA 0.114 3.857 4.340 -0.994 0.000 0.203 508 Q C 0.580 176.476 176.000 -0.173 0.000 0.932 508 Q CA 0.856 56.507 55.803 -0.252 0.000 0.945 508 Q CB 1.280 29.826 28.738 -0.320 0.000 1.045 508 Q HN 0.565 nan 8.270 nan 0.000 0.511 509 G N 0.620 109.357 108.800 -0.105 0.000 2.135 509 G HA2 -0.200 3.163 3.960 -0.994 0.000 0.183 509 G HA3 -0.200 3.163 3.960 -0.994 0.000 0.183 509 G C -0.653 174.254 174.900 0.011 0.000 1.004 509 G CA -0.326 44.735 45.100 -0.065 0.000 0.677 509 G HN 0.312 nan 8.290 nan 0.000 0.512 510 W N 2.817 124.023 121.300 -0.157 0.000 2.303 510 W HA 0.571 4.629 4.660 -1.002 0.000 0.318 510 W C 0.483 176.957 176.519 -0.076 0.000 1.362 510 W CA -0.734 56.539 57.345 -0.121 0.000 1.234 510 W CB 0.566 29.952 29.460 -0.123 0.000 1.248 510 W HN 0.070 nan 8.180 nan 0.000 0.546 511 K N 6.500 126.654 120.400 -0.410 0.000 2.262 511 K HA 0.388 4.111 4.320 -0.994 0.000 0.288 511 K C 0.083 176.086 176.600 -0.995 0.000 1.090 511 K CA -0.269 55.717 56.287 -0.501 0.000 0.918 511 K CB 0.217 32.535 32.500 -0.303 0.000 1.139 511 K HN 0.500 nan 8.250 nan 0.000 0.462 512 A N 4.637 126.878 122.820 -0.966 0.000 2.409 512 A HA 0.230 3.953 4.320 -0.994 0.000 0.267 512 A C -1.502 175.724 177.584 -0.596 0.000 1.127 512 A CA -1.161 50.189 52.037 -1.145 0.000 0.795 512 A CB 0.177 18.896 19.000 -0.467 0.000 1.061 512 A HN 0.452 nan 8.150 nan 0.000 0.502 513 P HA -0.032 nan 4.420 nan 0.000 0.226 513 P C 0.116 177.285 177.300 -0.218 0.000 1.153 513 P CA 0.215 63.183 63.100 -0.219 0.000 0.777 513 P CB 0.091 31.753 31.700 -0.064 0.000 0.794 514 R N -1.614 118.695 120.500 -0.319 0.000 3.423 514 R HA -0.102 3.641 4.340 -0.994 0.000 0.271 514 R C 0.686 176.809 176.300 -0.295 0.000 1.093 514 R CA 0.378 56.083 56.100 -0.659 0.000 0.730 514 R CB -2.361 27.560 30.300 -0.632 0.000 1.190 514 R HN 0.372 nan 8.270 nan 0.000 0.437 515 G N -0.749 108.041 108.800 -0.017 0.000 2.795 515 G HA2 0.419 3.783 3.960 -0.994 0.000 0.267 515 G HA3 0.419 3.783 3.960 -0.994 0.000 0.267 515 G C 0.321 175.323 174.900 0.169 0.000 1.362 515 G CA -0.370 44.772 45.100 0.070 0.000 1.048 515 G HN 0.159 nan 8.290 nan 0.000 0.547 516 R N -1.606 118.936 120.500 0.071 0.000 2.090 516 R HA 0.184 3.927 4.340 -0.994 0.000 0.219 516 R C 0.231 176.325 176.300 -0.344 0.000 1.100 516 R CA 0.598 56.625 56.100 -0.122 0.000 0.991 516 R CB -0.053 30.108 30.300 -0.232 0.000 0.893 516 R HN 0.357 nan 8.270 nan 0.000 0.443 517 F N 1.608 121.563 119.950 0.009 0.000 2.664 517 F HA 0.273 4.202 4.527 -0.996 0.000 0.322 517 F C -0.939 174.885 175.800 0.039 0.000 1.324 517 F CA -0.968 56.816 58.000 -0.360 0.000 1.154 517 F CB 0.840 39.439 39.000 -0.668 0.000 1.236 517 F HN -0.223 nan 8.300 nan 0.000 0.532 518 D N 1.601 122.239 120.400 0.397 0.000 2.339 518 D HA 0.150 4.193 4.640 -0.994 0.000 0.241 518 D C 0.162 176.794 176.300 0.553 0.000 1.183 518 D CA 0.087 54.377 54.000 0.482 0.000 0.859 518 D CB 1.743 42.869 40.800 0.543 0.000 1.067 518 D HN -0.039 nan 8.370 nan 0.000 0.484 519 V N 3.962 124.156 119.914 0.468 0.000 2.509 519 V HA -0.068 3.455 4.120 -0.994 0.000 0.297 519 V C 1.128 177.308 176.094 0.144 0.000 1.014 519 V CA -0.085 62.354 62.300 0.231 0.000 1.127 519 V CB -0.059 31.842 31.823 0.129 0.000 0.925 519 V HN 0.366 nan 8.190 nan 0.000 0.480 520 L N 8.503 129.702 121.223 -0.039 0.000 2.467 520 L HA 0.272 4.015 4.340 -0.994 0.000 0.270 520 L C -1.616 175.070 176.870 -0.307 0.000 1.205 520 L CA -1.291 53.380 54.840 -0.281 0.000 0.828 520 L CB 0.669 42.642 42.059 -0.144 0.000 1.101 520 L HN 0.485 nan 8.230 nan 0.000 0.479 521 P HA 0.193 nan 4.420 nan 0.000 0.276 521 P C -0.972 176.247 177.300 -0.135 0.000 1.261 521 P CA -0.464 62.414 63.100 -0.369 0.000 0.800 521 P CB 0.766 32.075 31.700 -0.652 0.000 1.066 522 L N 0.512 121.728 121.223 -0.012 0.000 2.334 522 L HA 0.393 4.136 4.340 -0.994 0.000 0.277 522 L C 0.407 177.330 176.870 0.088 0.000 1.075 522 L CA -0.636 54.263 54.840 0.099 0.000 0.804 522 L CB 0.421 42.580 42.059 0.166 0.000 1.174 522 L HN 0.200 nan 8.230 nan 0.000 0.438 523 L N 4.771 126.090 121.223 0.159 0.000 2.318 523 L HA 0.481 4.224 4.340 -0.994 0.000 0.277 523 L C -0.889 175.958 176.870 -0.038 0.000 1.008 523 L CA -0.229 54.608 54.840 -0.006 0.000 0.846 523 L CB 1.171 43.215 42.059 -0.024 0.000 1.220 523 L HN 0.445 nan 8.230 nan 0.000 0.423 524 L N 4.027 125.215 121.223 -0.059 0.000 2.313 524 L HA 0.486 4.229 4.340 -0.994 0.000 0.283 524 L C -0.276 176.505 176.870 -0.149 0.000 1.013 524 L CA -0.423 54.393 54.840 -0.041 0.000 0.816 524 L CB 1.873 43.954 42.059 0.036 0.000 1.236 524 L HN 0.569 nan 8.230 nan 0.000 0.419 525 Q N 3.021 122.741 119.800 -0.133 0.000 2.372 525 Q HA 0.643 4.386 4.340 -0.994 0.000 0.259 525 Q C -1.092 174.758 176.000 -0.251 0.000 0.993 525 Q CA -0.567 55.137 55.803 -0.165 0.000 0.854 525 Q CB 1.824 30.574 28.738 0.019 0.000 1.231 525 Q HN 0.773 nan 8.270 nan 0.000 0.462 526 A N 4.492 127.094 122.820 -0.363 0.000 2.288 526 A HA 0.326 4.049 4.320 -0.994 0.000 0.320 526 A C 0.242 177.340 177.584 -0.810 0.000 1.217 526 A CA -0.386 51.187 52.037 -0.772 0.000 0.840 526 A CB 0.548 19.321 19.000 -0.379 0.000 1.179 526 A HN 1.105 nan 8.150 nan 0.000 0.504 527 N N 1.263 119.105 118.700 -1.431 0.000 2.721 527 N HA -0.250 3.893 4.740 -0.994 0.000 0.249 527 N C 0.970 176.310 175.510 -0.283 0.000 1.072 527 N CA 1.426 54.124 53.050 -0.585 0.000 0.710 527 N CB -0.689 37.661 38.487 -0.229 0.000 0.993 527 N HN 2.185 nan 8.380 nan 0.000 0.547 528 G N -1.297 107.358 108.800 -0.242 0.000 2.179 528 G HA2 -0.303 3.060 3.960 -0.994 0.000 0.260 528 G HA3 -0.303 3.060 3.960 -0.994 0.000 0.260 528 G C 0.148 175.034 174.900 -0.022 0.000 0.977 528 G CA 0.492 45.528 45.100 -0.107 0.000 0.641 528 G HN 0.586 nan 8.290 nan 0.000 0.533 529 N N 1.069 119.712 118.700 -0.095 0.000 2.379 529 N HA 0.328 4.472 4.740 -0.994 0.000 0.260 529 N C -0.179 175.349 175.510 0.031 0.000 1.254 529 N CA -0.367 52.677 53.050 -0.011 0.000 0.958 529 N CB 0.351 38.803 38.487 -0.057 0.000 1.208 529 N HN 0.154 nan 8.380 nan 0.000 0.532 530 D N 1.308 121.787 120.400 0.131 0.000 2.443 530 D HA 0.126 4.169 4.640 -0.994 0.000 0.239 530 D C -1.816 174.400 176.300 -0.139 0.000 1.136 530 D CA -0.425 53.653 54.000 0.130 0.000 0.879 530 D CB 0.097 41.008 40.800 0.185 0.000 1.195 530 D HN 0.269 nan 8.370 nan 0.000 0.443 531 P HA 0.176 nan 4.420 nan 0.000 0.274 531 P C -0.676 176.387 177.300 -0.395 0.000 1.237 531 P CA -0.328 62.461 63.100 -0.518 0.000 0.793 531 P CB 1.138 32.147 31.700 -1.151 0.000 0.977 532 E N 0.617 120.620 120.200 -0.328 0.000 2.288 532 E HA 0.465 4.219 4.350 -0.994 0.000 0.268 532 E C -0.547 175.729 176.600 -0.540 0.000 0.885 532 E CA -0.986 55.169 56.400 -0.408 0.000 0.767 532 E CB 1.679 31.141 29.700 -0.396 0.000 1.220 532 E HN 0.316 nan 8.360 nan 0.000 0.427 533 L N 2.067 122.895 121.223 -0.658 0.000 2.395 533 L HA 0.467 4.210 4.340 -0.994 0.000 0.269 533 L C -0.796 175.468 176.870 -1.011 0.000 1.133 533 L CA -0.127 54.355 54.840 -0.597 0.000 0.812 533 L CB 0.252 42.074 42.059 -0.394 0.000 1.125 533 L HN 0.489 nan 8.230 nan 0.000 0.452 534 F N 0.538 120.270 119.950 -0.364 0.000 2.604 534 F HA 0.254 3.258 4.527 -2.538 0.000 0.316 534 F C -0.245 175.350 175.800 -0.341 0.000 1.136 534 F CA -0.740 56.922 58.000 -0.563 0.000 0.989 534 F CB 1.852 40.233 39.000 -1.031 0.000 1.258 534 F HN 0.291 nan 8.300 nan 0.000 0.451 535 Q N 3.191 122.957 119.800 -0.058 0.000 2.274 535 Q HA 0.549 4.293 4.340 -0.994 0.000 0.256 535 Q C -0.622 175.520 176.000 0.236 0.000 0.927 535 Q CA -0.239 55.619 55.803 0.091 0.000 0.939 535 Q CB 0.929 29.752 28.738 0.143 0.000 1.201 535 Q HN 0.555 nan 8.270 nan 0.000 0.426 536 I N 6.669 127.403 120.570 0.274 0.000 2.683 536 I HA 0.088 3.661 4.170 -0.994 0.000 0.286 536 I C -1.804 174.441 176.117 0.213 0.000 1.175 536 I CA -1.714 59.768 61.300 0.304 0.000 1.429 536 I CB 0.377 38.466 38.000 0.149 0.000 1.371 536 I HN 0.537 nan 8.210 nan 0.000 0.569 537 P HA -0.007 nan 4.420 nan 0.000 0.260 537 P C -1.998 175.362 177.300 0.099 0.000 1.185 537 P CA -0.766 62.417 63.100 0.138 0.000 0.763 537 P CB 0.026 31.787 31.700 0.101 0.000 0.776 538 P HA -0.224 nan 4.420 nan 0.000 0.216 538 P C 1.407 178.748 177.300 0.068 0.000 1.150 538 P CA 1.440 64.594 63.100 0.090 0.000 0.843 538 P CB -0.201 31.554 31.700 0.093 0.000 0.787 539 E N 0.013 120.248 120.200 0.059 0.000 2.333 539 E HA -0.142 3.612 4.350 -0.994 0.000 0.198 539 E C 1.612 178.233 176.600 0.035 0.000 1.007 539 E CA 1.004 57.429 56.400 0.043 0.000 0.845 539 E CB -1.031 28.691 29.700 0.036 0.000 0.766 539 E HN 0.330 nan 8.360 nan 0.000 0.507 540 L N 0.892 122.138 121.223 0.038 0.000 2.477 540 L HA 0.118 3.861 4.340 -0.994 0.000 0.220 540 L C 0.637 177.527 176.870 0.033 0.000 1.106 540 L CA -0.031 54.825 54.840 0.028 0.000 0.851 540 L CB 0.552 42.619 42.059 0.013 0.000 0.994 540 L HN -0.108 nan 8.230 nan 0.000 0.462 541 V N 2.433 122.371 119.914 0.041 0.000 2.322 541 V HA 0.109 3.632 4.120 -0.994 0.000 0.258 541 V C 0.118 176.247 176.094 0.058 0.000 1.074 541 V CA -0.490 61.834 62.300 0.041 0.000 0.909 541 V CB 0.941 32.785 31.823 0.037 0.000 1.090 541 V HN 0.062 nan 8.190 nan 0.000 0.486 542 L N 5.792 127.051 121.223 0.061 0.000 2.410 542 L HA 0.397 4.140 4.340 -0.994 0.000 0.273 542 L C 0.197 177.107 176.870 0.067 0.000 1.144 542 L CA 0.705 55.574 54.840 0.048 0.000 0.863 542 L CB 0.231 42.311 42.059 0.036 0.000 1.140 542 L HN 0.653 nan 8.230 nan 0.000 0.463 543 E N 3.462 123.685 120.200 0.037 0.000 2.277 543 E HA 0.580 4.333 4.350 -0.994 0.000 0.266 543 E C -1.403 175.157 176.600 -0.066 0.000 0.901 543 E CA -1.032 55.393 56.400 0.041 0.000 0.782 543 E CB 2.475 32.234 29.700 0.098 0.000 1.228 543 E HN 0.378 nan 8.360 nan 0.000 0.424 544 V N 3.138 122.986 119.914 -0.110 0.000 2.376 544 V HA 0.281 3.805 4.120 -0.994 0.000 0.287 544 V C -2.403 173.658 176.094 -0.054 0.000 1.015 544 V CA -2.100 60.077 62.300 -0.205 0.000 0.834 544 V CB 1.244 32.696 31.823 -0.618 0.000 1.001 544 V HN 0.526 nan 8.190 nan 0.000 0.428 545 P HA 0.196 nan 4.420 nan 0.000 0.267 545 P C -0.575 176.767 177.300 0.071 0.000 1.205 545 P CA -0.066 63.038 63.100 0.006 0.000 0.765 545 P CB 0.404 32.106 31.700 0.004 0.000 0.828 546 I N 4.882 125.534 120.570 0.137 0.000 2.297 546 I HA 0.260 3.833 4.170 -0.994 0.000 0.291 546 I C 1.047 177.366 176.117 0.336 0.000 1.033 546 I CA -0.288 61.166 61.300 0.257 0.000 1.253 546 I CB -0.049 38.170 38.000 0.365 0.000 1.396 546 I HN 0.401 nan 8.210 nan 0.000 0.476 547 R N 5.365 126.028 120.500 0.270 0.000 2.892 547 R HA 0.528 4.272 4.340 -0.994 0.000 0.265 547 R C -1.009 175.338 176.300 0.078 0.000 1.025 547 R CA -0.696 55.568 56.100 0.274 0.000 0.982 547 R CB 2.118 32.556 30.300 0.231 0.000 1.185 547 R HN 0.514 nan 8.270 nan 0.000 0.484 548 H N 1.877 120.825 119.070 -0.204 0.000 2.469 548 H HA 0.284 4.243 4.556 -0.995 0.000 0.342 548 H C -1.764 173.211 175.328 -0.589 0.000 1.115 548 H CA -2.074 53.658 56.048 -0.526 0.000 1.204 548 H CB 2.389 31.723 29.762 -0.714 0.000 1.492 548 H HN 0.335 nan 8.280 nan 0.000 0.499 549 P HA -0.074 nan 4.420 nan 0.000 0.222 549 P C 0.415 177.395 177.300 -0.534 0.000 1.147 549 P CA 1.198 63.604 63.100 -1.157 0.000 0.790 549 P CB 0.711 31.609 31.700 -1.336 0.000 0.780 550 K N -1.574 118.619 120.400 -0.344 0.000 2.403 550 K HA 0.169 3.892 4.320 -0.994 0.000 0.199 550 K C 0.622 176.998 176.600 -0.375 0.000 1.199 550 K CA 0.084 56.132 56.287 -0.398 0.000 0.924 550 K CB 0.172 32.320 32.500 -0.587 0.000 1.137 550 K HN 0.118 nan 8.250 nan 0.000 0.510 551 F N 3.183 122.957 119.950 -0.293 0.000 2.405 551 F HA 0.089 4.019 4.527 -0.995 0.000 0.358 551 F C 0.863 176.311 175.800 -0.587 0.000 1.151 551 F CA -0.834 56.735 58.000 -0.718 0.000 1.161 551 F CB 0.639 38.733 39.000 -1.511 0.000 1.245 551 F HN -0.070 nan 8.300 nan 0.000 0.545 552 D N 3.328 123.641 120.400 -0.145 0.000 2.172 552 D HA -0.235 3.809 4.640 -0.994 0.000 0.196 552 D C 2.061 178.387 176.300 0.043 0.000 0.999 552 D CA 1.550 55.541 54.000 -0.013 0.000 0.856 552 D CB -0.121 40.726 40.800 0.078 0.000 0.934 552 D HN 0.698 nan 8.370 nan 0.000 0.453 553 W N -0.376 121.028 121.300 0.173 0.000 2.595 553 W HA -0.021 4.042 4.660 -0.995 0.000 0.257 553 W C 1.760 178.360 176.519 0.135 0.000 1.267 553 W CA -0.340 57.071 57.345 0.111 0.000 1.300 553 W CB -1.308 28.176 29.460 0.039 0.000 1.120 553 W HN -0.115 nan 8.180 nan 0.000 0.618 554 F N 3.816 123.659 119.950 -0.178 0.000 2.095 554 F HA -0.291 3.639 4.527 -0.995 0.000 0.298 554 F C 2.808 178.673 175.800 0.108 0.000 1.104 554 F CA 3.390 61.367 58.000 -0.037 0.000 1.232 554 F CB -0.280 38.585 39.000 -0.225 0.000 0.987 554 F HN -0.154 nan 8.300 nan 0.000 0.475 555 K N -0.427 120.138 120.400 0.276 0.000 2.160 555 K HA -0.247 3.476 4.320 -0.994 0.000 0.206 555 K C 1.322 177.988 176.600 0.110 0.000 1.047 555 K CA 2.080 58.481 56.287 0.189 0.000 0.930 555 K CB -0.729 31.863 32.500 0.152 0.000 0.720 555 K HN 0.191 nan 8.250 nan 0.000 0.450 556 D N 1.144 121.617 120.400 0.121 0.000 2.350 556 D HA -0.035 4.008 4.640 -0.994 0.000 0.216 556 D C 1.705 178.031 176.300 0.045 0.000 0.968 556 D CA 0.633 54.687 54.000 0.091 0.000 0.894 556 D CB -0.048 40.825 40.800 0.122 0.000 0.909 556 D HN 0.285 nan 8.370 nan 0.000 0.520 557 L N -0.527 120.689 121.223 -0.011 0.000 2.465 557 L HA 0.081 3.824 4.340 -0.994 0.000 0.224 557 L C 1.454 178.320 176.870 -0.007 0.000 1.145 557 L CA 0.532 55.333 54.840 -0.065 0.000 0.834 557 L CB -0.388 41.529 42.059 -0.236 0.000 0.944 557 L HN 0.081 nan 8.230 nan 0.000 0.451 558 G N 0.860 109.670 108.800 0.017 0.000 2.225 558 G HA2 -0.263 3.100 3.960 -0.994 0.000 0.264 558 G HA3 -0.263 3.100 3.960 -0.994 0.000 0.264 558 G C -0.095 174.826 174.900 0.035 0.000 1.060 558 G CA -0.194 44.940 45.100 0.057 0.000 0.833 558 G HN 0.224 nan 8.290 nan 0.000 0.498 559 L N -0.276 120.914 121.223 -0.056 0.000 2.309 559 L HA 0.749 4.492 4.340 -0.994 0.000 0.282 559 L C 0.621 177.346 176.870 -0.242 0.000 1.036 559 L CA -0.779 53.952 54.840 -0.181 0.000 0.806 559 L CB 1.642 43.606 42.059 -0.159 0.000 1.220 559 L HN 0.467 nan 8.230 nan 0.000 0.429 560 K N 1.567 121.630 120.400 -0.561 0.000 2.509 560 K HA 0.574 4.297 4.320 -0.994 0.000 0.266 560 K C -1.769 174.890 176.600 0.100 0.000 0.987 560 K CA -1.018 55.139 56.287 -0.217 0.000 0.868 560 K CB 2.689 35.020 32.500 -0.282 0.000 1.421 560 K HN 0.521 nan 8.250 nan 0.000 0.444 561 W N 1.842 123.171 121.300 0.049 0.000 3.062 561 W HA 0.358 4.425 4.660 -0.989 0.000 0.336 561 W C -1.279 175.364 176.519 0.205 0.000 1.224 561 W CA -0.899 56.546 57.345 0.168 0.000 1.159 561 W CB 1.833 31.284 29.460 -0.015 0.000 1.454 561 W HN 0.715 nan 8.180 nan 0.000 0.569 562 Y N 0.205 120.460 120.300 -0.075 0.000 2.301 562 Y HA 0.562 4.520 4.550 -0.988 0.000 0.325 562 Y C 0.988 177.108 175.900 0.366 0.000 1.203 562 Y CA -0.122 57.993 58.100 0.025 0.000 1.255 562 Y CB 0.404 38.733 38.460 -0.219 0.000 1.232 562 Y HN 0.448 nan 8.280 nan 0.000 0.501 563 G N 1.638 110.680 108.800 0.405 0.000 2.464 563 G HA2 -0.033 3.330 3.960 -0.994 0.000 0.217 563 G HA3 -0.033 3.330 3.960 -0.994 0.000 0.217 563 G C -0.254 174.970 174.900 0.541 0.000 1.138 563 G CA 0.122 45.516 45.100 0.489 0.000 0.793 563 G HN 0.536 nan 8.290 nan 0.000 0.539 564 L N 2.498 123.991 121.223 0.450 0.000 2.277 564 L HA 0.480 4.224 4.340 -0.994 0.000 0.284 564 L C -2.326 174.671 176.870 0.212 0.000 1.028 564 L CA -2.699 52.302 54.840 0.268 0.000 0.835 564 L CB 1.742 43.908 42.059 0.177 0.000 1.215 564 L HN -0.174 nan 8.230 nan 0.000 0.425 565 P HA 0.359 nan 4.420 nan 0.000 0.287 565 P C -1.377 175.818 177.300 -0.176 0.000 1.294 565 P CA -0.341 62.605 63.100 -0.257 0.000 0.776 565 P CB 1.463 32.614 31.700 -0.916 0.000 0.889 566 A N 4.273 126.991 122.820 -0.171 0.000 2.651 566 A HA 0.397 4.121 4.320 -0.994 0.000 0.290 566 A C -0.479 176.861 177.584 -0.407 0.000 1.185 566 A CA -0.603 51.271 52.037 -0.272 0.000 0.746 566 A CB 0.673 19.544 19.000 -0.215 0.000 1.213 566 A HN 0.290 nan 8.150 nan 0.000 0.429 567 V N 2.764 122.264 119.914 -0.690 0.000 2.508 567 V HA 0.300 3.823 4.120 -0.994 0.000 0.281 567 V C 1.255 176.893 176.094 -0.759 0.000 1.041 567 V CA 1.116 62.965 62.300 -0.753 0.000 1.016 567 V CB 1.133 32.343 31.823 -1.021 0.000 0.984 567 V HN 1.097 nan 8.190 nan 0.000 0.478 568 S N 1.902 117.359 115.700 -0.406 0.000 2.733 568 S HA 0.041 3.915 4.470 -0.994 0.000 0.247 568 S C 0.818 175.333 174.600 -0.142 0.000 1.043 568 S CA 0.102 58.150 58.200 -0.253 0.000 1.066 568 S CB -0.355 62.736 63.200 -0.183 0.000 1.045 568 S HN 0.900 nan 8.310 nan 0.000 0.586 569 N N 0.384 118.986 118.700 -0.163 0.000 2.203 569 N HA 0.298 4.442 4.740 -0.994 0.000 0.207 569 N C 0.245 175.680 175.510 -0.125 0.000 1.130 569 N CA -0.474 52.488 53.050 -0.146 0.000 0.861 569 N CB 0.089 38.453 38.487 -0.204 0.000 1.005 569 N HN 0.277 nan 8.380 nan 0.000 0.507 570 M N 1.128 120.721 119.600 -0.012 0.000 2.283 570 M HA 0.303 4.187 4.480 -0.994 0.000 0.314 570 M C -0.594 175.820 176.300 0.191 0.000 1.153 570 M CA -0.820 54.549 55.300 0.115 0.000 1.084 570 M CB 1.992 34.756 32.600 0.274 0.000 1.468 570 M HN 0.110 nan 8.290 nan 0.000 0.474 571 L N 2.336 123.679 121.223 0.199 0.000 2.296 571 L HA 0.485 4.228 4.340 -0.994 0.000 0.286 571 L C -1.309 175.702 176.870 0.235 0.000 1.023 571 L CA -0.845 54.108 54.840 0.188 0.000 0.812 571 L CB 1.141 43.251 42.059 0.085 0.000 1.223 571 L HN 0.535 nan 8.230 nan 0.000 0.421 572 L N 5.162 126.524 121.223 0.232 0.000 2.265 572 L HA 0.418 4.161 4.340 -0.994 0.000 0.288 572 L C -0.400 176.513 176.870 0.072 0.000 1.058 572 L CA 0.320 55.188 54.840 0.046 0.000 0.809 572 L CB 1.134 43.227 42.059 0.056 0.000 1.179 572 L HN 0.707 nan 8.230 nan 0.000 0.429 573 E N 5.916 126.080 120.200 -0.060 0.000 2.129 573 E HA 0.462 4.215 4.350 -0.994 0.000 0.268 573 E C -1.436 175.107 176.600 -0.095 0.000 0.900 573 E CA -0.456 55.916 56.400 -0.046 0.000 0.755 573 E CB 0.860 30.530 29.700 -0.048 0.000 1.117 573 E HN 0.690 nan 8.360 nan 0.000 0.410 574 I N 3.313 123.832 120.570 -0.085 0.000 2.447 574 I HA 0.315 3.888 4.170 -0.994 0.000 0.287 574 I C 0.752 176.650 176.117 -0.365 0.000 1.023 574 I CA -0.643 60.483 61.300 -0.291 0.000 1.083 574 I CB 2.021 39.822 38.000 -0.332 0.000 1.245 574 I HN 0.833 nan 8.210 nan 0.000 0.434 575 G N 4.338 112.897 108.800 -0.402 0.000 2.390 575 G HA2 -0.118 3.246 3.960 -0.994 0.000 0.299 575 G HA3 -0.118 3.246 3.960 -0.994 0.000 0.299 575 G C 1.048 176.003 174.900 0.092 0.000 1.002 575 G CA 0.782 45.844 45.100 -0.063 0.000 0.979 575 G HN 1.563 nan 8.290 nan 0.000 0.513 576 G N -2.088 106.725 108.800 0.022 0.000 2.184 576 G HA2 -0.264 3.099 3.960 -0.994 0.000 0.264 576 G HA3 -0.264 3.099 3.960 -0.994 0.000 0.264 576 G C 0.473 175.350 174.900 -0.039 0.000 0.975 576 G CA 0.698 45.816 45.100 0.031 0.000 0.642 576 G HN 1.337 nan 8.290 nan 0.000 0.536 577 L N 0.472 121.613 121.223 -0.137 0.000 2.334 577 L HA 0.572 4.315 4.340 -0.994 0.000 0.277 577 L C 0.267 176.889 176.870 -0.413 0.000 1.075 577 L CA -0.592 54.044 54.840 -0.340 0.000 0.804 577 L CB 1.282 43.022 42.059 -0.533 0.000 1.174 577 L HN 0.132 nan 8.230 nan 0.000 0.438 578 E N 3.057 122.959 120.200 -0.497 0.000 2.145 578 E HA 0.312 4.065 4.350 -0.994 0.000 0.262 578 E C -1.420 174.904 176.600 -0.461 0.000 0.883 578 E CA -0.346 55.853 56.400 -0.335 0.000 0.748 578 E CB 1.359 30.958 29.700 -0.167 0.000 1.140 578 E HN 0.302 nan 8.360 nan 0.000 0.417 579 F N 2.054 121.985 119.950 -0.031 0.000 2.309 579 F HA 0.077 4.006 4.527 -0.997 0.000 0.366 579 F C 1.563 177.401 175.800 0.064 0.000 1.104 579 F CA -0.424 57.579 58.000 0.005 0.000 1.179 579 F CB 0.906 39.894 39.000 -0.021 0.000 1.437 579 F HN 0.402 nan 8.300 nan 0.000 0.528 580 S N 1.150 116.960 115.700 0.182 0.000 2.522 580 S HA 0.291 4.165 4.470 -0.994 0.000 0.227 580 S C 0.759 175.474 174.600 0.192 0.000 0.986 580 S CA 0.164 58.455 58.200 0.150 0.000 0.929 580 S CB 0.114 63.375 63.200 0.101 0.000 0.769 580 S HN 0.461 nan 8.310 nan 0.000 0.529 581 A N 1.042 124.030 122.820 0.281 0.000 2.363 581 A HA 0.601 4.325 4.320 -0.994 0.000 0.296 581 A C -0.136 177.700 177.584 0.420 0.000 1.237 581 A CA -0.669 51.560 52.037 0.319 0.000 0.773 581 A CB 0.341 19.533 19.000 0.319 0.000 1.153 581 A HN 1.009 nan 8.150 nan 0.000 0.473 582 C N 0.941 120.440 119.300 0.332 0.000 3.319 582 C HA 0.483 4.347 4.460 -0.994 0.000 0.200 582 C C -2.823 172.323 174.990 0.261 0.000 1.332 582 C CA -1.734 57.462 59.018 0.296 0.000 1.170 582 C CB -0.240 27.703 27.740 0.338 0.000 1.855 582 C HN 0.567 nan 8.230 nan 0.000 0.593 583 P HA 0.344 nan 4.420 nan 0.000 0.268 583 P C -0.571 176.749 177.300 0.034 0.000 1.204 583 P CA 0.864 63.934 63.100 -0.050 0.000 0.768 583 P CB 0.558 32.191 31.700 -0.112 0.000 0.842 584 F N -0.256 119.639 119.950 -0.093 0.000 2.620 584 F HA 0.813 4.745 4.527 -0.992 0.000 0.320 584 F C -0.531 175.202 175.800 -0.113 0.000 1.069 584 F CA -1.169 56.793 58.000 -0.063 0.000 0.953 584 F CB 1.557 40.390 39.000 -0.279 0.000 1.322 584 F HN 0.404 nan 8.300 nan 0.000 0.479 585 S N -0.433 115.359 115.700 0.154 0.000 2.570 585 S HA 0.911 4.784 4.470 -0.994 0.000 0.270 585 S C -0.712 173.849 174.600 -0.066 0.000 1.149 585 S CA -0.213 58.002 58.200 0.024 0.000 0.837 585 S CB 1.422 64.711 63.200 0.150 0.000 1.124 585 S HN 1.441 nan 8.310 nan 0.000 0.465 586 G N -0.087 108.623 108.800 -0.148 0.000 3.190 586 G HA2 0.719 4.083 3.960 -0.994 0.000 0.191 586 G HA3 0.719 4.083 3.960 -0.994 0.000 0.191 586 G C -1.421 173.487 174.900 0.013 0.000 1.523 586 G CA -0.108 44.846 45.100 -0.244 0.000 0.842 586 G HN 1.225 nan 8.290 nan 0.000 0.782 587 W N -1.479 119.818 121.300 -0.006 0.000 3.074 587 W HA 0.783 4.846 4.660 -0.996 0.000 0.332 587 W C -1.668 174.847 176.519 -0.005 0.000 1.253 587 W CA -2.233 55.122 57.345 0.016 0.000 1.180 587 W CB 0.396 29.913 29.460 0.094 0.000 1.445 587 W HN 0.420 nan 8.180 nan 0.000 0.573 588 Y N 2.619 123.112 120.300 0.323 0.000 2.336 588 Y HA 0.278 4.232 4.550 -0.995 0.000 0.331 588 Y C 1.026 176.993 175.900 0.111 0.000 1.211 588 Y CA -0.620 57.544 58.100 0.106 0.000 1.346 588 Y CB 1.255 39.677 38.460 -0.063 0.000 1.271 588 Y HN 0.411 nan 8.280 nan 0.000 0.538 589 M N 2.593 122.349 119.600 0.260 0.000 2.216 589 M HA 0.262 4.145 4.480 -0.994 0.000 0.356 589 M C 1.185 177.489 176.300 0.006 0.000 1.205 589 M CA 0.144 55.526 55.300 0.137 0.000 1.122 589 M CB 1.078 33.735 32.600 0.095 0.000 1.571 589 M HN 0.916 nan 8.290 nan 0.000 0.464 590 G N 1.345 110.105 108.800 -0.066 0.000 2.469 590 G HA2 -0.257 3.106 3.960 -0.994 0.000 0.220 590 G HA3 -0.257 3.106 3.960 -0.994 0.000 0.220 590 G C 1.179 175.935 174.900 -0.239 0.000 1.136 590 G CA 1.529 46.505 45.100 -0.207 0.000 0.759 590 G HN 0.878 nan 8.290 nan 0.000 0.562 591 T N -0.659 113.794 114.554 -0.167 0.000 2.833 591 T HA -0.050 3.703 4.350 -0.994 0.000 0.269 591 T C 1.928 176.474 174.700 -0.257 0.000 1.054 591 T CA 1.549 63.509 62.100 -0.233 0.000 1.135 591 T CB -0.294 68.403 68.868 -0.285 0.000 0.869 591 T HN 0.512 nan 8.240 nan 0.000 0.466 592 E N 1.032 121.100 120.200 -0.219 0.000 2.097 592 E HA -0.090 3.664 4.350 -0.994 0.000 0.196 592 E C 2.086 178.415 176.600 -0.452 0.000 1.000 592 E CA 1.538 57.813 56.400 -0.209 0.000 0.804 592 E CB -0.389 29.327 29.700 0.026 0.000 0.740 592 E HN 0.609 nan 8.360 nan 0.000 0.454 593 I N 0.153 120.278 120.570 -0.743 0.000 2.270 593 I HA -0.071 3.502 4.170 -0.994 0.000 0.239 593 I C 2.600 178.159 176.117 -0.929 0.000 1.080 593 I CA 1.053 61.640 61.300 -1.188 0.000 1.383 593 I CB -0.506 36.657 38.000 -1.395 0.000 1.097 593 I HN 0.106 nan 8.210 nan 0.000 0.420 594 G N 0.465 108.951 108.800 -0.523 0.000 2.403 594 G HA2 -0.089 3.274 3.960 -0.994 0.000 0.216 594 G HA3 -0.089 3.274 3.960 -0.994 0.000 0.216 594 G C 1.619 176.461 174.900 -0.097 0.000 1.154 594 G CA 0.810 45.804 45.100 -0.176 0.000 0.784 594 G HN 0.214 nan 8.290 nan 0.000 0.538 595 V N 0.447 120.254 119.914 -0.179 0.000 2.341 595 V HA 0.048 3.571 4.120 -0.994 0.000 0.240 595 V C 2.822 178.843 176.094 -0.121 0.000 1.035 595 V CA 1.056 63.277 62.300 -0.131 0.000 1.033 595 V CB -0.323 31.398 31.823 -0.171 0.000 0.678 595 V HN 0.118 nan 8.190 nan 0.000 0.464 596 R N 0.580 120.973 120.500 -0.178 0.000 2.055 596 R HA -0.015 3.729 4.340 -0.994 0.000 0.226 596 R C 1.947 178.182 176.300 -0.107 0.000 1.135 596 R CA 1.398 57.416 56.100 -0.136 0.000 0.959 596 R CB -1.002 29.211 30.300 -0.144 0.000 0.854 596 R HN 0.486 nan 8.270 nan 0.000 0.431 597 D N -0.020 120.224 120.400 -0.261 0.000 2.149 597 D HA -0.105 3.939 4.640 -0.994 0.000 0.201 597 D C 2.015 178.312 176.300 -0.006 0.000 0.972 597 D CA 1.158 55.011 54.000 -0.244 0.000 0.835 597 D CB -0.138 40.130 40.800 -0.887 0.000 0.966 597 D HN 0.340 nan 8.370 nan 0.000 0.476 598 Y N -0.260 119.958 120.300 -0.136 0.000 2.347 598 Y HA -0.039 3.915 4.550 -0.995 0.000 0.294 598 Y C 2.424 178.367 175.900 0.072 0.000 1.117 598 Y CA 0.241 58.340 58.100 -0.002 0.000 1.184 598 Y CB 0.333 38.763 38.460 -0.051 0.000 1.047 598 Y HN 0.017 nan 8.280 nan 0.000 0.546 599 C N -1.037 118.369 119.300 0.177 0.000 2.935 599 C HA 0.122 3.985 4.460 -0.994 0.000 0.308 599 C C 0.289 175.321 174.990 0.071 0.000 1.263 599 C CA -0.690 58.397 59.018 0.114 0.000 1.738 599 C CB -0.606 27.175 27.740 0.068 0.000 2.237 599 C HN 0.266 nan 8.230 nan 0.000 0.600 600 D N 1.725 122.156 120.400 0.051 0.000 2.548 600 D HA -0.038 4.005 4.640 -0.994 0.000 0.231 600 D C 0.750 177.085 176.300 0.057 0.000 1.142 600 D CA 0.687 54.707 54.000 0.033 0.000 0.866 600 D CB 0.308 41.123 40.800 0.026 0.000 1.190 600 D HN 0.323 nan 8.370 nan 0.000 0.469 601 N N -0.040 118.682 118.700 0.038 0.000 2.120 601 N HA -0.161 3.982 4.740 -0.994 0.000 0.188 601 N C 1.305 176.841 175.510 0.042 0.000 1.024 601 N CA 1.266 54.342 53.050 0.044 0.000 0.852 601 N CB 0.073 38.580 38.487 0.033 0.000 1.003 601 N HN 0.334 nan 8.380 nan 0.000 0.424 602 S N -0.195 115.527 115.700 0.036 0.000 2.701 602 S HA 0.221 4.094 4.470 -0.994 0.000 0.220 602 S C 0.893 175.515 174.600 0.038 0.000 0.954 602 S CA -0.087 58.132 58.200 0.033 0.000 0.936 602 S CB 0.180 63.399 63.200 0.032 0.000 0.777 602 S HN 0.068 nan 8.310 nan 0.000 0.518 603 R N 0.145 120.682 120.500 0.061 0.000 2.769 603 R HA 0.402 4.145 4.340 -0.994 0.000 0.117 603 R C 0.747 177.092 176.300 0.074 0.000 1.152 603 R CA -0.466 55.691 56.100 0.094 0.000 0.887 603 R CB -1.005 29.399 30.300 0.173 0.000 1.099 603 R HN 0.311 nan 8.270 nan 0.000 0.398 604 Y N 1.534 121.941 120.300 0.178 0.000 2.457 604 Y HA 0.056 4.009 4.550 -0.996 0.000 0.292 604 Y C 0.655 176.634 175.900 0.132 0.000 1.125 604 Y CA 0.976 59.189 58.100 0.188 0.000 1.254 604 Y CB -0.015 38.636 38.460 0.319 0.000 1.012 604 Y HN 0.536 nan 8.280 nan 0.000 0.555 605 N N 1.135 119.984 118.700 0.247 0.000 2.696 605 N HA -0.214 3.929 4.740 -0.994 0.000 0.256 605 N C 0.344 175.942 175.510 0.147 0.000 1.031 605 N CA 0.457 53.600 53.050 0.156 0.000 0.730 605 N CB -1.072 37.477 38.487 0.103 0.000 0.894 605 N HN 0.636 nan 8.380 nan 0.000 0.544 606 I N -2.577 118.086 120.570 0.155 0.000 3.928 606 I HA 0.106 3.679 4.170 -0.994 0.000 0.335 606 I C 1.668 177.849 176.117 0.106 0.000 1.325 606 I CA -0.488 60.874 61.300 0.104 0.000 1.107 606 I CB -0.010 38.012 38.000 0.036 0.000 1.014 606 I HN 0.171 nan 8.210 nan 0.000 0.400 607 L N 1.203 122.511 121.223 0.141 0.000 1.994 607 L HA -0.162 3.582 4.340 -0.994 0.000 0.208 607 L C 2.631 179.661 176.870 0.268 0.000 1.071 607 L CA 1.838 56.790 54.840 0.187 0.000 0.745 607 L CB -0.479 41.667 42.059 0.145 0.000 0.892 607 L HN 0.335 nan 8.230 nan 0.000 0.431 608 E N -0.058 120.298 120.200 0.261 0.000 2.086 608 E HA -0.297 3.456 4.350 -0.994 0.000 0.200 608 E C 2.012 178.644 176.600 0.053 0.000 1.012 608 E CA 2.002 58.516 56.400 0.191 0.000 0.812 608 E CB -0.086 29.680 29.700 0.110 0.000 0.743 608 E HN 0.531 nan 8.360 nan 0.000 0.453 609 E N 0.150 120.368 120.200 0.029 0.000 2.106 609 E HA -0.128 3.625 4.350 -0.994 0.000 0.192 609 E C 2.137 178.689 176.600 -0.079 0.000 0.984 609 E CA 0.824 57.198 56.400 -0.044 0.000 0.806 609 E CB -0.120 29.554 29.700 -0.042 0.000 0.750 609 E HN 0.051 nan 8.360 nan 0.000 0.458 610 V N 1.174 121.087 119.914 -0.001 0.000 2.358 610 V HA -0.230 3.293 4.120 -0.994 0.000 0.246 610 V C 2.259 178.356 176.094 0.006 0.000 1.047 610 V CA 1.714 64.037 62.300 0.039 0.000 1.035 610 V CB -0.821 31.116 31.823 0.191 0.000 0.658 610 V HN 0.363 nan 8.190 nan 0.000 0.452 611 A N -0.205 122.665 122.820 0.083 0.000 1.940 611 A HA -0.233 3.490 4.320 -0.994 0.000 0.219 611 A C 2.298 179.810 177.584 -0.119 0.000 1.176 611 A CA 1.871 53.956 52.037 0.080 0.000 0.631 611 A CB -0.388 18.784 19.000 0.287 0.000 0.814 611 A HN 0.553 nan 8.150 nan 0.000 0.446 612 K N -0.301 119.988 120.400 -0.186 0.000 2.002 612 K HA -0.111 3.613 4.320 -0.994 0.000 0.209 612 K C 1.959 178.337 176.600 -0.372 0.000 1.048 612 K CA 1.282 57.415 56.287 -0.257 0.000 0.930 612 K CB -0.217 32.147 32.500 -0.227 0.000 0.714 612 K HN 0.232 nan 8.250 nan 0.000 0.438 613 K N 0.687 120.762 120.400 -0.543 0.000 2.160 613 K HA -0.091 3.632 4.320 -0.994 0.000 0.206 613 K C 1.860 177.846 176.600 -1.023 0.000 1.047 613 K CA 1.296 56.963 56.287 -1.033 0.000 0.930 613 K CB -0.110 31.351 32.500 -1.732 0.000 0.720 613 K HN 0.255 nan 8.250 nan 0.000 0.450 614 M N 0.444 119.688 119.600 -0.592 0.000 2.618 614 M HA -0.045 3.838 4.480 -0.994 0.000 0.240 614 M C 0.016 176.190 176.300 -0.210 0.000 1.123 614 M CA 0.300 55.405 55.300 -0.326 0.000 1.060 614 M CB -0.037 32.483 32.600 -0.133 0.000 1.535 614 M HN 0.108 nan 8.290 nan 0.000 0.507 615 D N 2.391 122.648 120.400 -0.239 0.000 2.706 615 D HA -0.190 3.853 4.640 -0.994 0.000 0.230 615 D C -0.754 175.486 176.300 -0.100 0.000 1.184 615 D CA 0.505 54.406 54.000 -0.165 0.000 0.628 615 D CB -0.574 40.141 40.800 -0.142 0.000 1.019 615 D HN 0.352 nan 8.370 nan 0.000 0.415 616 L N 0.057 121.232 121.223 -0.081 0.000 2.456 616 L HA 0.222 3.965 4.340 -0.994 0.000 0.257 616 L C 1.069 177.897 176.870 -0.070 0.000 1.162 616 L CA -0.481 54.348 54.840 -0.018 0.000 0.808 616 L CB 0.352 42.461 42.059 0.083 0.000 1.136 616 L HN -0.068 nan 8.230 nan 0.000 0.466 617 D N 0.890 121.275 120.400 -0.024 0.000 2.359 617 D HA 0.122 4.165 4.640 -0.994 0.000 0.250 617 D C 0.610 176.810 176.300 -0.167 0.000 1.264 617 D CA 0.237 54.196 54.000 -0.067 0.000 0.911 617 D CB 0.511 41.309 40.800 -0.004 0.000 1.056 617 D HN 0.370 nan 8.370 nan 0.000 0.499 618 M N 2.574 121.939 119.600 -0.392 0.000 2.568 618 M HA 0.106 3.989 4.480 -0.994 0.000 0.226 618 M C 1.497 177.516 176.300 -0.468 0.000 1.148 618 M CA 0.091 54.884 55.300 -0.845 0.000 1.007 618 M CB 0.268 32.273 32.600 -0.991 0.000 1.651 618 M HN 0.344 nan 8.290 nan 0.000 0.488 619 R N 1.217 121.596 120.500 -0.201 0.000 2.093 619 R HA 0.005 3.749 4.340 -0.994 0.000 0.224 619 R C 0.126 176.432 176.300 0.009 0.000 1.101 619 R CA 0.870 56.918 56.100 -0.088 0.000 0.979 619 R CB -0.015 30.252 30.300 -0.055 0.000 0.877 619 R HN 0.349 nan 8.270 nan 0.000 0.441 620 K N -0.137 120.314 120.400 0.084 0.000 2.375 620 K HA 0.257 3.981 4.320 -0.994 0.000 0.249 620 K C 0.485 177.256 176.600 0.284 0.000 0.942 620 K CA -0.451 55.924 56.287 0.147 0.000 0.806 620 K CB 1.815 34.372 32.500 0.096 0.000 1.227 620 K HN -0.169 nan 8.250 nan 0.000 0.430 621 T N -2.441 112.253 114.554 0.232 0.000 2.915 621 T HA -0.187 3.567 4.350 -0.994 0.000 0.269 621 T C 1.799 176.555 174.700 0.094 0.000 1.071 621 T CA 1.530 63.740 62.100 0.184 0.000 1.132 621 T CB -0.441 68.476 68.868 0.081 0.000 0.878 621 T HN 0.618 nan 8.240 nan 0.000 0.479 622 S N 1.936 117.692 115.700 0.094 0.000 2.555 622 S HA -0.043 3.831 4.470 -0.994 0.000 0.230 622 S C 2.110 176.755 174.600 0.075 0.000 0.978 622 S CA 0.763 58.999 58.200 0.060 0.000 0.934 622 S CB -0.834 62.395 63.200 0.048 0.000 0.766 622 S HN 0.752 nan 8.310 nan 0.000 0.533 623 S N 1.907 117.688 115.700 0.134 0.000 2.555 623 S HA 0.159 4.032 4.470 -0.994 0.000 0.230 623 S C 1.005 175.683 174.600 0.130 0.000 0.978 623 S CA 0.278 58.566 58.200 0.147 0.000 0.934 623 S CB -1.090 62.234 63.200 0.206 0.000 0.766 623 S HN 0.674 nan 8.310 nan 0.000 0.533 624 L N 0.635 121.895 121.223 0.061 0.000 3.737 624 L HA -0.191 3.552 4.340 -0.994 0.000 0.418 624 L C 1.701 178.553 176.870 -0.030 0.000 1.216 624 L CA 0.743 55.555 54.840 -0.046 0.000 0.915 624 L CB -2.635 39.411 42.059 -0.021 0.000 1.834 624 L HN 0.732 nan 8.230 nan 0.000 0.943 625 W N 0.141 121.450 121.300 0.016 0.000 2.363 625 W HA -0.164 3.899 4.660 -0.995 0.000 0.296 625 W C 1.782 178.316 176.519 0.025 0.000 1.212 625 W CA 1.361 58.715 57.345 0.016 0.000 1.260 625 W CB -0.766 28.695 29.460 0.002 0.000 1.131 625 W HN 0.265 nan 8.180 nan 0.000 0.530 626 K N 1.044 120.917 120.400 -0.879 0.000 2.063 626 K HA -0.189 3.535 4.320 -0.994 0.000 0.208 626 K C 1.542 177.983 176.600 -0.265 0.000 1.048 626 K CA 2.518 58.368 56.287 -0.729 0.000 0.928 626 K CB -0.351 31.579 32.500 -0.949 0.000 0.713 626 K HN 0.090 nan 8.250 nan 0.000 0.442 627 D N 0.350 120.621 120.400 -0.215 0.000 2.117 627 D HA -0.136 3.908 4.640 -0.994 0.000 0.198 627 D C 2.005 178.302 176.300 -0.005 0.000 0.982 627 D CA 0.954 54.898 54.000 -0.093 0.000 0.828 627 D CB -0.010 40.742 40.800 -0.080 0.000 0.967 627 D HN 0.182 nan 8.370 nan 0.000 0.464 628 Q N 0.222 120.042 119.800 0.034 0.000 2.020 628 Q HA -0.134 3.609 4.340 -0.994 0.000 0.202 628 Q C 2.349 178.434 176.000 0.142 0.000 0.982 628 Q CA 1.387 57.250 55.803 0.100 0.000 0.838 628 Q CB -0.232 28.583 28.738 0.128 0.000 0.899 628 Q HN 0.304 nan 8.270 nan 0.000 0.423 629 A N 0.919 123.834 122.820 0.158 0.000 1.917 629 A HA -0.223 3.501 4.320 -0.994 0.000 0.219 629 A C 2.046 179.738 177.584 0.181 0.000 1.182 629 A CA 1.414 53.573 52.037 0.203 0.000 0.633 629 A CB -0.799 18.336 19.000 0.226 0.000 0.819 629 A HN 0.375 nan 8.150 nan 0.000 0.448 630 L N 0.021 121.305 121.223 0.101 0.000 2.013 630 L HA -0.169 3.575 4.340 -0.994 0.000 0.212 630 L C 2.446 179.372 176.870 0.094 0.000 1.073 630 L CA 2.205 57.090 54.840 0.075 0.000 0.753 630 L CB -0.590 41.470 42.059 0.001 0.000 0.890 630 L HN 0.191 nan 8.230 nan 0.000 0.432 631 V N -0.344 119.629 119.914 0.098 0.000 2.307 631 V HA -0.223 3.301 4.120 -0.994 0.000 0.245 631 V C 2.617 178.798 176.094 0.144 0.000 1.045 631 V CA 1.770 64.133 62.300 0.105 0.000 1.024 631 V CB -0.770 31.115 31.823 0.104 0.000 0.651 631 V HN 0.443 nan 8.190 nan 0.000 0.449 632 E N 0.133 120.463 120.200 0.217 0.000 2.085 632 E HA -0.207 3.546 4.350 -0.994 0.000 0.194 632 E C 2.165 178.916 176.600 0.253 0.000 0.994 632 E CA 1.468 58.062 56.400 0.323 0.000 0.801 632 E CB -0.432 29.537 29.700 0.448 0.000 0.743 632 E HN 0.579 nan 8.360 nan 0.000 0.453 633 I N 1.748 122.481 120.570 0.272 0.000 2.194 633 I HA -0.300 3.273 4.170 -0.994 0.000 0.246 633 I C 2.150 178.352 176.117 0.142 0.000 1.093 633 I CA 1.076 62.548 61.300 0.287 0.000 1.355 633 I CB -0.289 37.910 38.000 0.332 0.000 1.046 633 I HN 0.094 nan 8.210 nan 0.000 0.413 634 N N 0.592 119.349 118.700 0.095 0.000 2.270 634 N HA -0.052 4.091 4.740 -0.994 0.000 0.181 634 N C 1.976 177.489 175.510 0.004 0.000 1.016 634 N CA 1.132 54.203 53.050 0.035 0.000 0.870 634 N CB 0.033 38.531 38.487 0.018 0.000 0.979 634 N HN 0.359 nan 8.380 nan 0.000 0.431 635 I N 1.416 121.975 120.570 -0.019 0.000 2.208 635 I HA -0.248 3.325 4.170 -0.994 0.000 0.245 635 I C 2.445 178.438 176.117 -0.206 0.000 1.097 635 I CA 0.924 62.151 61.300 -0.122 0.000 1.363 635 I CB -0.245 37.634 38.000 -0.201 0.000 1.051 635 I HN 0.060 nan 8.210 nan 0.000 0.413 636 A N 0.191 122.849 122.820 -0.271 0.000 1.930 636 A HA -0.119 3.604 4.320 -0.994 0.000 0.217 636 A C 2.437 180.014 177.584 -0.013 0.000 1.175 636 A CA 1.460 53.312 52.037 -0.308 0.000 0.627 636 A CB -0.829 17.749 19.000 -0.703 0.000 0.815 636 A HN 0.229 nan 8.150 nan 0.000 0.443 637 V N 0.102 120.040 119.914 0.040 0.000 2.270 637 V HA -0.246 3.277 4.120 -0.994 0.000 0.245 637 V C 2.575 178.720 176.094 0.084 0.000 1.043 637 V CA 2.006 64.365 62.300 0.097 0.000 1.014 637 V CB -0.725 31.080 31.823 -0.029 0.000 0.645 637 V HN 0.577 nan 8.190 nan 0.000 0.447 638 L N -1.290 119.939 121.223 0.010 0.000 2.083 638 L HA -0.222 3.522 4.340 -0.994 0.000 0.209 638 L C 2.471 179.398 176.870 0.095 0.000 1.083 638 L CA 1.967 56.820 54.840 0.022 0.000 0.752 638 L CB -0.688 41.375 42.059 0.007 0.000 0.899 638 L HN 0.444 nan 8.230 nan 0.000 0.433 639 Y N 0.436 120.704 120.300 -0.054 0.000 2.200 639 Y HA -0.230 3.724 4.550 -0.994 0.000 0.290 639 Y C 2.738 178.636 175.900 -0.002 0.000 1.137 639 Y CA 1.663 59.719 58.100 -0.073 0.000 1.163 639 Y CB -0.209 38.136 38.460 -0.191 0.000 0.988 639 Y HN 0.061 nan 8.280 nan 0.000 0.518 640 S N 0.272 115.982 115.700 0.017 0.000 2.356 640 S HA -0.169 3.705 4.470 -0.994 0.000 0.223 640 S C 1.787 176.366 174.600 -0.036 0.000 1.032 640 S CA 1.529 59.699 58.200 -0.049 0.000 1.005 640 S CB -0.820 62.453 63.200 0.123 0.000 0.867 640 S HN 0.430 nan 8.310 nan 0.000 0.449 641 F N 2.050 121.954 119.950 -0.076 0.000 2.095 641 F HA -0.139 3.791 4.527 -0.995 0.000 0.298 641 F C 2.718 178.463 175.800 -0.090 0.000 1.104 641 F CA 1.280 59.252 58.000 -0.047 0.000 1.232 641 F CB -0.672 38.327 39.000 -0.001 0.000 0.987 641 F HN 0.225 nan 8.300 nan 0.000 0.475 642 Q N -0.743 119.099 119.800 0.071 0.000 2.079 642 Q HA -0.151 3.592 4.340 -0.994 0.000 0.200 642 Q C 2.338 178.260 176.000 -0.130 0.000 0.974 642 Q CA 1.747 57.532 55.803 -0.030 0.000 0.840 642 Q CB -0.383 28.337 28.738 -0.031 0.000 0.898 642 Q HN 0.259 nan 8.270 nan 0.000 0.430 643 S N 1.066 116.603 115.700 -0.271 0.000 2.399 643 S HA -0.120 3.754 4.470 -0.994 0.000 0.231 643 S C 0.856 175.341 174.600 -0.193 0.000 1.022 643 S CA 1.205 59.220 58.200 -0.310 0.000 0.983 643 S CB -0.059 62.804 63.200 -0.561 0.000 0.803 643 S HN 0.311 nan 8.310 nan 0.000 0.480 644 D N 0.229 120.527 120.400 -0.170 0.000 2.349 644 D HA 0.200 4.244 4.640 -0.994 0.000 0.214 644 D C 0.028 176.264 176.300 -0.107 0.000 1.063 644 D CA 0.121 54.038 54.000 -0.139 0.000 0.847 644 D CB 0.063 40.758 40.800 -0.175 0.000 0.933 644 D HN 0.029 nan 8.370 nan 0.000 0.513 645 K N -0.567 119.782 120.400 -0.086 0.000 3.096 645 K HA -0.123 3.600 4.320 -0.994 0.000 0.266 645 K C -1.026 175.546 176.600 -0.046 0.000 1.043 645 K CA 0.204 56.454 56.287 -0.061 0.000 0.758 645 K CB -1.669 30.794 32.500 -0.061 0.000 1.260 645 K HN 0.005 nan 8.250 nan 0.000 0.481 646 V N 1.094 120.995 119.914 -0.022 0.000 2.384 646 V HA 0.226 3.750 4.120 -0.994 0.000 0.287 646 V C 0.687 176.873 176.094 0.153 0.000 1.020 646 V CA -0.833 61.488 62.300 0.035 0.000 0.850 646 V CB 1.828 33.602 31.823 -0.081 0.000 0.987 646 V HN 0.334 nan 8.190 nan 0.000 0.436 647 T N 6.619 121.209 114.554 0.060 0.000 2.867 647 T HA 0.245 3.999 4.350 -0.994 0.000 0.290 647 T C -0.231 174.539 174.700 0.117 0.000 1.025 647 T CA 1.106 63.169 62.100 -0.061 0.000 1.146 647 T CB -0.055 68.624 68.868 -0.314 0.000 1.024 647 T HN 0.574 nan 8.240 nan 0.000 0.519 648 I N 2.515 123.096 120.570 0.019 0.000 2.908 648 I HA 0.609 4.182 4.170 -0.994 0.000 0.300 648 I C -1.412 174.737 176.117 0.053 0.000 1.385 648 I CA -1.005 60.343 61.300 0.079 0.000 1.004 648 I CB 2.000 39.964 38.000 -0.060 0.000 1.309 648 I HN 0.442 nan 8.210 nan 0.000 0.449 649 V N 5.033 125.045 119.914 0.164 0.000 2.604 649 V HA 0.487 4.011 4.120 -0.994 0.000 0.305 649 V C -1.090 175.060 176.094 0.093 0.000 1.043 649 V CA -0.288 62.100 62.300 0.146 0.000 0.888 649 V CB 2.205 34.197 31.823 0.281 0.000 0.995 649 V HN 0.869 nan 8.190 nan 0.000 0.429 650 D N 3.813 124.245 120.400 0.055 0.000 2.354 650 D HA 0.186 4.229 4.640 -0.994 0.000 0.247 650 D C 1.259 177.558 176.300 -0.002 0.000 1.138 650 D CA 0.127 54.143 54.000 0.026 0.000 0.958 650 D CB 0.496 41.281 40.800 -0.024 0.000 1.144 650 D HN 0.735 nan 8.370 nan 0.000 0.458 651 H N 0.129 119.144 119.070 -0.091 0.000 2.456 651 H HA -0.147 3.812 4.556 -0.995 0.000 0.296 651 H C 0.973 176.221 175.328 -0.134 0.000 1.079 651 H CA 1.316 57.277 56.048 -0.145 0.000 1.322 651 H CB -0.571 29.051 29.762 -0.233 0.000 1.388 651 H HN 0.528 nan 8.280 nan 0.000 0.538 652 H N 0.770 119.633 119.070 -0.346 0.000 2.307 652 H HA -0.075 3.884 4.556 -0.994 0.000 0.303 652 H C 2.513 177.819 175.328 -0.037 0.000 1.073 652 H CA 1.506 57.452 56.048 -0.170 0.000 1.338 652 H CB -0.189 29.445 29.762 -0.214 0.000 1.389 652 H HN 0.424 nan 8.280 nan 0.000 0.503 653 S N 0.644 116.398 115.700 0.090 0.000 2.368 653 S HA -0.108 3.766 4.470 -0.994 0.000 0.225 653 S C 2.416 177.088 174.600 0.120 0.000 1.030 653 S CA 1.135 59.391 58.200 0.093 0.000 0.999 653 S CB -0.268 62.977 63.200 0.075 0.000 0.844 653 S HN 0.448 nan 8.310 nan 0.000 0.459 654 A N 1.016 123.908 122.820 0.120 0.000 1.898 654 A HA -0.056 3.668 4.320 -0.994 0.000 0.216 654 A C 2.518 180.206 177.584 0.173 0.000 1.181 654 A CA 2.354 54.483 52.037 0.153 0.000 0.620 654 A CB -1.657 17.423 19.000 0.134 0.000 0.819 654 A HN 0.799 nan 8.150 nan 0.000 0.442 655 T N -2.142 112.499 114.554 0.145 0.000 2.812 655 T HA -0.138 3.616 4.350 -0.994 0.000 0.264 655 T C 1.769 176.603 174.700 0.222 0.000 1.042 655 T CA 1.366 63.574 62.100 0.181 0.000 1.140 655 T CB -0.404 68.540 68.868 0.127 0.000 0.870 655 T HN 0.584 nan 8.240 nan 0.000 0.445 656 E N 1.228 121.531 120.200 0.172 0.000 2.070 656 E HA -0.188 3.566 4.350 -0.994 0.000 0.197 656 E C 2.339 179.030 176.600 0.153 0.000 1.004 656 E CA 1.611 58.100 56.400 0.148 0.000 0.805 656 E CB -0.299 29.469 29.700 0.113 0.000 0.744 656 E HN 0.554 nan 8.360 nan 0.000 0.451 657 S N -0.013 115.788 115.700 0.168 0.000 2.382 657 S HA -0.134 3.740 4.470 -0.994 0.000 0.228 657 S C 1.470 176.195 174.600 0.210 0.000 1.027 657 S CA 1.002 59.303 58.200 0.168 0.000 0.991 657 S CB -0.398 62.904 63.200 0.171 0.000 0.823 657 S HN 0.368 nan 8.310 nan 0.000 0.469 658 F N 2.386 122.411 119.950 0.125 0.000 2.146 658 F HA -0.059 3.871 4.527 -0.994 0.000 0.298 658 F C 1.818 177.717 175.800 0.165 0.000 1.096 658 F CA 0.918 59.011 58.000 0.156 0.000 1.275 658 F CB -0.254 38.819 39.000 0.122 0.000 1.008 658 F HN 0.079 nan 8.300 nan 0.000 0.480 659 I N 0.736 121.378 120.570 0.120 0.000 2.208 659 I HA -0.302 3.271 4.170 -0.994 0.000 0.245 659 I C 2.453 178.542 176.117 -0.047 0.000 1.097 659 I CA 1.433 62.743 61.300 0.016 0.000 1.363 659 I CB -1.342 36.721 38.000 0.106 0.000 1.051 659 I HN 0.221 nan 8.210 nan 0.000 0.413 660 K N -0.040 120.368 120.400 0.014 0.000 2.057 660 K HA -0.261 3.462 4.320 -0.994 0.000 0.207 660 K C 2.297 178.897 176.600 -0.000 0.000 1.049 660 K CA 1.648 57.946 56.287 0.018 0.000 0.931 660 K CB -0.197 32.337 32.500 0.056 0.000 0.714 660 K HN 0.327 nan 8.250 nan 0.000 0.440 661 H N 0.494 119.491 119.070 -0.121 0.000 2.326 661 H HA -0.026 3.933 4.556 -0.994 0.000 0.301 661 H C 2.071 177.273 175.328 -0.211 0.000 1.081 661 H CA 2.134 58.092 56.048 -0.149 0.000 1.334 661 H CB -0.108 29.562 29.762 -0.153 0.000 1.385 661 H HN 0.092 nan 8.280 nan 0.000 0.504 662 M N 0.199 119.498 119.600 -0.501 0.000 2.082 662 M HA -0.208 3.675 4.480 -0.994 0.000 0.258 662 M C 2.098 178.345 176.300 -0.089 0.000 1.069 662 M CA 2.259 57.334 55.300 -0.375 0.000 1.102 662 M CB -0.177 32.237 32.600 -0.309 0.000 1.336 662 M HN 0.492 nan 8.290 nan 0.000 0.404 663 E N -0.287 119.857 120.200 -0.092 0.000 2.150 663 E HA -0.160 3.593 4.350 -0.994 0.000 0.193 663 E C 1.680 178.269 176.600 -0.018 0.000 0.985 663 E CA 0.837 57.220 56.400 -0.028 0.000 0.814 663 E CB -0.232 29.442 29.700 -0.044 0.000 0.752 663 E HN 0.518 nan 8.360 nan 0.000 0.466 664 N N 1.090 119.748 118.700 -0.070 0.000 2.084 664 N HA -0.140 4.003 4.740 -0.994 0.000 0.190 664 N C 1.672 177.128 175.510 -0.092 0.000 1.030 664 N CA 0.935 53.952 53.050 -0.055 0.000 0.849 664 N CB -0.104 38.369 38.487 -0.023 0.000 1.012 664 N HN 0.190 nan 8.380 nan 0.000 0.423 665 E N 0.069 120.138 120.200 -0.219 0.000 2.106 665 E HA -0.116 3.637 4.350 -0.994 0.000 0.192 665 E C 1.856 178.323 176.600 -0.222 0.000 0.984 665 E CA 0.626 56.860 56.400 -0.276 0.000 0.806 665 E CB -0.353 29.054 29.700 -0.489 0.000 0.750 665 E HN 0.480 nan 8.360 nan 0.000 0.458 666 Y N 1.541 121.744 120.300 -0.161 0.000 2.181 666 Y HA -0.205 3.748 4.550 -0.994 0.000 0.288 666 Y C 2.653 178.500 175.900 -0.090 0.000 1.146 666 Y CA 2.087 60.123 58.100 -0.108 0.000 1.164 666 Y CB -0.129 38.277 38.460 -0.089 0.000 0.982 666 Y HN 0.093 nan 8.280 nan 0.000 0.515 667 R N -1.731 118.805 120.500 0.061 0.000 2.119 667 R HA -0.021 3.723 4.340 -0.994 0.000 0.222 667 R C 1.784 178.075 176.300 -0.016 0.000 1.088 667 R CA 1.662 57.775 56.100 0.021 0.000 0.984 667 R CB -1.140 29.171 30.300 0.018 0.000 0.884 667 R HN 0.223 nan 8.270 nan 0.000 0.447 668 C N -0.385 118.895 119.300 -0.035 0.000 2.551 668 C HA 0.327 4.190 4.460 -0.994 0.000 0.277 668 C C 2.362 177.315 174.990 -0.061 0.000 1.349 668 C CA -0.009 58.989 59.018 -0.034 0.000 1.750 668 C CB -0.429 27.306 27.740 -0.008 0.000 2.058 668 C HN 0.540 nan 8.230 nan 0.000 0.518 669 R N -0.330 120.103 120.500 -0.111 0.000 2.419 669 R HA 0.248 3.992 4.340 -0.994 0.000 0.235 669 R C 1.333 177.523 176.300 -0.184 0.000 0.899 669 R CA 0.887 56.903 56.100 -0.141 0.000 1.048 669 R CB 0.453 30.644 30.300 -0.181 0.000 1.182 669 R HN 0.438 nan 8.270 nan 0.000 0.544 670 G N -0.087 108.588 108.800 -0.208 0.000 2.132 670 G HA2 -0.151 3.212 3.960 -0.994 0.000 0.234 670 G HA3 -0.151 3.212 3.960 -0.994 0.000 0.234 670 G C 0.128 174.775 174.900 -0.422 0.000 0.989 670 G CA 0.050 45.004 45.100 -0.243 0.000 0.676 670 G HN 0.794 nan 8.290 nan 0.000 0.522 671 G N -2.376 105.997 108.800 -0.711 0.000 2.337 671 G HA2 0.533 3.897 3.960 -0.994 0.000 0.298 671 G HA3 0.533 3.897 3.960 -0.994 0.000 0.298 671 G C -0.875 173.563 174.900 -0.771 0.000 1.335 671 G CA 0.398 44.787 45.100 -1.184 0.000 0.875 671 G HN 1.894 nan 8.290 nan 0.000 0.579 672 C N 2.192 121.169 119.300 -0.538 0.000 2.887 672 C HA 0.687 4.550 4.460 -0.994 0.000 0.379 672 C C -2.551 172.350 174.990 -0.148 0.000 1.064 672 C CA -1.114 57.753 59.018 -0.251 0.000 1.282 672 C CB 1.061 28.676 27.740 -0.208 0.000 1.749 672 C HN 0.709 nan 8.230 nan 0.000 0.489 673 P HA 0.431 nan 4.420 nan 0.000 0.271 673 P C -0.709 176.487 177.300 -0.173 0.000 1.220 673 P CA 0.489 63.196 63.100 -0.654 0.000 0.768 673 P CB 1.232 32.328 31.700 -1.007 0.000 0.848 674 A N 2.402 125.194 122.820 -0.046 0.000 2.488 674 A HA 0.397 4.121 4.320 -0.994 0.000 0.295 674 A C -1.179 176.465 177.584 0.099 0.000 1.045 674 A CA -0.538 51.571 52.037 0.120 0.000 0.703 674 A CB 1.218 20.439 19.000 0.369 0.000 1.271 674 A HN 0.445 nan 8.150 nan 0.000 0.400 675 D N 2.137 122.574 120.400 0.062 0.000 2.467 675 D HA 0.158 4.202 4.640 -0.994 0.000 0.220 675 D C 0.808 177.231 176.300 0.205 0.000 1.103 675 D CA -0.507 53.553 54.000 0.099 0.000 0.886 675 D CB 0.315 41.093 40.800 -0.037 0.000 1.025 675 D HN 0.596 nan 8.370 nan 0.000 0.514 676 W N 3.936 125.270 121.300 0.057 0.000 2.321 676 W HA -0.280 3.783 4.660 -0.994 0.000 0.306 676 W C 1.713 178.272 176.519 0.067 0.000 1.217 676 W CA 1.304 58.675 57.345 0.044 0.000 1.257 676 W CB -0.019 29.444 29.460 0.005 0.000 1.145 676 W HN 0.298 nan 8.180 nan 0.000 0.509 677 V N -0.342 119.890 119.914 0.529 0.000 2.380 677 V HA -0.337 3.186 4.120 -0.994 0.000 0.251 677 V C 1.592 177.822 176.094 0.228 0.000 1.063 677 V CA 2.252 64.804 62.300 0.421 0.000 1.055 677 V CB -0.978 31.095 31.823 0.417 0.000 0.657 677 V HN 0.327 nan 8.190 nan 0.000 0.455 678 W N -1.543 119.736 121.300 -0.034 0.000 2.630 678 W HA 0.238 4.300 4.660 -0.996 0.000 0.271 678 W C 2.198 178.608 176.519 -0.181 0.000 1.244 678 W CA -0.092 57.199 57.345 -0.090 0.000 1.353 678 W CB -0.202 29.221 29.460 -0.061 0.000 1.080 678 W HN 0.080 nan 8.180 nan 0.000 0.594 679 I N 0.012 120.561 120.570 -0.036 0.000 2.353 679 I HA -0.085 3.489 4.170 -0.994 0.000 0.248 679 I C 0.623 176.554 176.117 -0.310 0.000 1.119 679 I CA 0.803 61.953 61.300 -0.251 0.000 1.417 679 I CB -1.492 36.283 38.000 -0.374 0.000 1.078 679 I HN -0.406 nan 8.210 nan 0.000 0.421 680 V N 4.247 123.884 119.914 -0.461 0.000 2.485 680 V HA 0.051 3.574 4.120 -0.994 0.000 0.287 680 V C -1.875 174.051 176.094 -0.280 0.000 1.022 680 V CA -0.979 61.031 62.300 -0.483 0.000 1.067 680 V CB -0.193 31.085 31.823 -0.908 0.000 0.967 680 V HN 0.126 nan 8.190 nan 0.000 0.479 681 P HA 0.127 nan 4.420 nan 0.000 0.268 681 P C -1.868 175.312 177.300 -0.199 0.000 1.208 681 P CA -1.206 61.781 63.100 -0.188 0.000 0.777 681 P CB 0.003 31.594 31.700 -0.182 0.000 0.875 682 P HA 0.013 nan 4.420 nan 0.000 0.247 682 P C -0.014 177.178 177.300 -0.179 0.000 1.225 682 P CA 1.027 64.018 63.100 -0.182 0.000 0.768 682 P CB -0.018 31.569 31.700 -0.187 0.000 1.020 683 M N -5.056 114.404 119.600 -0.234 0.000 2.593 683 M HA 0.541 4.424 4.480 -0.994 0.000 0.290 683 M C -0.111 176.077 176.300 -0.188 0.000 1.244 683 M CA -0.700 54.475 55.300 -0.209 0.000 0.857 683 M CB 1.872 34.325 32.600 -0.246 0.000 1.738 683 M HN -0.394 nan 8.290 nan 0.000 0.461 684 S N 0.413 116.052 115.700 -0.101 0.000 3.533 684 S HA -0.188 3.686 4.470 -0.994 0.000 0.347 684 S C 1.139 175.713 174.600 -0.042 0.000 1.101 684 S CA 0.925 59.105 58.200 -0.034 0.000 1.009 684 S CB -1.916 61.324 63.200 0.067 0.000 0.916 684 S HN 1.209 nan 8.310 nan 0.000 0.496 685 G N 2.168 110.920 108.800 -0.080 0.000 2.681 685 G HA2 -0.368 2.996 3.960 -0.994 0.000 0.220 685 G HA3 -0.368 2.996 3.960 -0.994 0.000 0.220 685 G C 1.449 176.264 174.900 -0.141 0.000 1.210 685 G CA 1.724 46.796 45.100 -0.047 0.000 0.783 685 G HN 1.301 nan 8.290 nan 0.000 0.609 686 S N 0.681 116.046 115.700 -0.558 0.000 2.561 686 S HA 0.062 3.936 4.470 -0.994 0.000 0.225 686 S C 2.142 176.721 174.600 -0.035 0.000 0.977 686 S CA 0.923 58.641 58.200 -0.804 0.000 0.926 686 S CB -0.362 62.094 63.200 -1.239 0.000 0.769 686 S HN 0.773 nan 8.310 nan 0.000 0.533 687 I N 0.702 121.290 120.570 0.030 0.000 3.793 687 I HA 0.209 3.783 4.170 -0.994 0.000 0.315 687 I C 0.574 176.829 176.117 0.230 0.000 1.275 687 I CA -0.157 61.233 61.300 0.149 0.000 1.214 687 I CB -0.673 37.409 38.000 0.138 0.000 1.018 687 I HN 0.219 nan 8.210 nan 0.000 0.439 688 T N -1.297 113.390 114.554 0.221 0.000 2.907 688 T HA 0.442 4.195 4.350 -0.994 0.000 0.284 688 T C -1.536 173.348 174.700 0.306 0.000 1.004 688 T CA -1.867 60.374 62.100 0.235 0.000 1.063 688 T CB 1.626 70.583 68.868 0.148 0.000 0.992 688 T HN -0.073 nan 8.240 nan 0.000 0.483 689 P HA -0.042 nan 4.420 nan 0.000 0.221 689 P C 1.834 179.339 177.300 0.343 0.000 1.150 689 P CA 0.782 64.071 63.100 0.315 0.000 0.800 689 P CB -0.375 31.452 31.700 0.213 0.000 0.787 690 V N -3.413 116.651 119.914 0.250 0.000 2.594 690 V HA -0.225 3.299 4.120 -0.994 0.000 0.253 690 V C 2.333 178.515 176.094 0.147 0.000 1.069 690 V CA 1.323 63.731 62.300 0.180 0.000 1.082 690 V CB -2.301 29.552 31.823 0.050 0.000 0.680 690 V HN -0.109 nan 8.190 nan 0.000 0.469 691 F N 1.779 121.736 119.950 0.012 0.000 2.154 691 F HA -0.193 3.737 4.527 -0.995 0.000 0.301 691 F C 2.446 178.386 175.800 0.234 0.000 1.087 691 F CA 2.365 60.375 58.000 0.016 0.000 1.274 691 F CB -0.247 38.649 39.000 -0.174 0.000 1.009 691 F HN 0.295 nan 8.300 nan 0.000 0.485 692 H N -1.335 118.043 119.070 0.513 0.000 2.539 692 H HA 0.116 4.076 4.556 -0.994 0.000 0.269 692 H C 0.257 175.824 175.328 0.399 0.000 0.980 692 H CA 0.107 56.423 56.048 0.448 0.000 1.152 692 H CB -0.030 29.984 29.762 0.421 0.000 1.407 692 H HN 0.232 nan 8.280 nan 0.000 0.564 693 Q N 2.089 122.163 119.800 0.456 0.000 2.331 693 Q HA 0.145 3.888 4.340 -0.994 0.000 0.257 693 Q C -0.607 175.619 176.000 0.377 0.000 0.957 693 Q CA -0.363 55.654 55.803 0.357 0.000 0.923 693 Q CB 0.700 29.621 28.738 0.305 0.000 1.212 693 Q HN 0.224 nan 8.270 nan 0.000 0.443 694 E N 3.528 123.899 120.200 0.284 0.000 2.392 694 E HA 0.211 3.965 4.350 -0.994 0.000 0.264 694 E C -0.514 176.216 176.600 0.216 0.000 1.024 694 E CA 0.367 56.895 56.400 0.213 0.000 0.903 694 E CB 0.774 30.580 29.700 0.176 0.000 0.963 694 E HN 0.601 nan 8.360 nan 0.000 0.432 695 M N 2.564 122.302 119.600 0.230 0.000 2.572 695 M HA 0.408 4.292 4.480 -0.994 0.000 0.299 695 M C -1.080 175.342 176.300 0.203 0.000 1.205 695 M CA -0.704 54.752 55.300 0.259 0.000 0.876 695 M CB 1.735 34.538 32.600 0.339 0.000 1.728 695 M HN 0.247 nan 8.290 nan 0.000 0.458 696 L N 1.752 123.114 121.223 0.230 0.000 2.322 696 L HA 0.516 4.260 4.340 -0.994 0.000 0.281 696 L C -0.485 176.498 176.870 0.187 0.000 1.014 696 L CA -0.428 54.550 54.840 0.231 0.000 0.815 696 L CB 1.704 43.946 42.059 0.305 0.000 1.247 696 L HN 0.694 nan 8.230 nan 0.000 0.421 697 N N 2.874 121.665 118.700 0.152 0.000 2.392 697 N HA 0.535 4.678 4.740 -0.994 0.000 0.283 697 N C -1.762 173.825 175.510 0.128 0.000 1.003 697 N CA -0.383 52.683 53.050 0.027 0.000 0.892 697 N CB 1.339 39.844 38.487 0.030 0.000 1.193 697 N HN 0.499 nan 8.380 nan 0.000 0.487 698 Y N 0.217 120.532 120.300 0.024 0.000 2.656 698 Y HA 0.484 4.437 4.550 -0.994 0.000 0.334 698 Y C -1.323 174.583 175.900 0.011 0.000 1.179 698 Y CA -1.322 56.791 58.100 0.022 0.000 1.050 698 Y CB 0.854 39.340 38.460 0.044 0.000 1.308 698 Y HN 0.174 nan 8.280 nan 0.000 0.456 699 R N 2.777 123.375 120.500 0.164 0.000 2.246 699 R HA 0.563 4.307 4.340 -0.994 0.000 0.332 699 R C -1.390 174.971 176.300 0.102 0.000 0.974 699 R CA -0.579 55.562 56.100 0.069 0.000 0.837 699 R CB 1.209 31.538 30.300 0.049 0.000 1.145 699 R HN 0.703 nan 8.270 nan 0.000 0.467 700 L N 1.072 122.331 121.223 0.060 0.000 2.334 700 L HA 0.494 4.238 4.340 -0.994 0.000 0.272 700 L C 0.681 177.568 176.870 0.029 0.000 1.020 700 L CA -0.689 54.191 54.840 0.066 0.000 0.812 700 L CB 1.884 43.981 42.059 0.064 0.000 1.264 700 L HN 0.392 nan 8.230 nan 0.000 0.439 701 T N 1.388 115.969 114.554 0.046 0.000 2.918 701 T HA 0.537 4.290 4.350 -0.994 0.000 0.286 701 T C -2.564 172.184 174.700 0.080 0.000 1.026 701 T CA -1.826 60.295 62.100 0.036 0.000 1.031 701 T CB 1.695 70.587 68.868 0.041 0.000 1.046 701 T HN 0.250 nan 8.240 nan 0.000 0.479 702 P HA 0.260 nan 4.420 nan 0.000 0.268 702 P C -1.186 176.041 177.300 -0.121 0.000 1.208 702 P CA -0.195 62.876 63.100 -0.050 0.000 0.777 702 P CB 0.479 32.132 31.700 -0.078 0.000 0.875 703 S N 0.357 115.943 115.700 -0.190 0.000 2.588 703 S HA 0.682 4.555 4.470 -0.994 0.000 0.275 703 S C -1.133 173.272 174.600 -0.325 0.000 1.130 703 S CA -0.818 57.267 58.200 -0.192 0.000 0.855 703 S CB 0.847 64.010 63.200 -0.062 0.000 1.116 703 S HN 0.140 nan 8.310 nan 0.000 0.472 704 F N 1.218 121.151 119.950 -0.027 0.000 2.404 704 F HA 0.551 4.480 4.527 -0.996 0.000 0.339 704 F C 0.826 176.638 175.800 0.019 0.000 1.105 704 F CA -0.331 57.667 58.000 -0.004 0.000 1.087 704 F CB 1.302 40.277 39.000 -0.042 0.000 1.143 704 F HN 0.476 nan 8.300 nan 0.000 0.491 705 E N 2.336 122.672 120.200 0.227 0.000 2.266 705 E HA 0.123 3.876 4.350 -0.994 0.000 0.268 705 E C -1.477 175.231 176.600 0.180 0.000 0.879 705 E CA -0.985 55.511 56.400 0.160 0.000 0.762 705 E CB 2.622 32.379 29.700 0.095 0.000 1.199 705 E HN 0.581 nan 8.360 nan 0.000 0.422 706 Y N 2.668 122.998 120.300 0.050 0.000 2.411 706 Y HA 0.006 3.961 4.550 -0.992 0.000 0.333 706 Y C 0.137 176.042 175.900 0.009 0.000 1.186 706 Y CA 0.250 58.370 58.100 0.033 0.000 1.381 706 Y CB 0.678 39.150 38.460 0.020 0.000 1.273 706 Y HN 0.351 nan 8.280 nan 0.000 0.546 707 Q N 7.030 126.438 119.800 -0.654 0.000 2.377 707 Q HA 0.596 4.339 4.340 -0.994 0.000 0.271 707 Q C -2.936 172.637 176.000 -0.713 0.000 1.077 707 Q CA -2.532 52.990 55.803 -0.468 0.000 0.820 707 Q CB 2.242 30.823 28.738 -0.261 0.000 1.347 707 Q HN 0.402 nan 8.270 nan 0.000 0.444 708 P HA 0.030 nan 4.420 nan 0.000 0.272 708 P C -0.693 176.302 177.300 -0.508 0.000 1.223 708 P CA -0.180 62.726 63.100 -0.322 0.000 0.784 708 P CB 0.509 32.105 31.700 -0.174 0.000 0.923 709 D N 3.125 123.157 120.400 -0.612 0.000 2.531 709 D HA -0.036 4.007 4.640 -0.994 0.000 0.239 709 D C -0.998 174.632 176.300 -1.117 0.000 1.144 709 D CA -0.665 52.679 54.000 -1.093 0.000 0.869 709 D CB 0.141 39.985 40.800 -1.593 0.000 1.160 709 D HN 0.300 nan 8.370 nan 0.000 0.484 710 P HA -0.124 nan 4.420 nan 0.000 0.220 710 P C 1.309 178.084 177.300 -0.875 0.000 1.148 710 P CA 0.934 63.439 63.100 -0.992 0.000 0.803 710 P CB -0.150 30.709 31.700 -1.402 0.000 0.782 711 W N 0.431 121.271 121.300 -0.766 0.000 2.848 711 W HA 0.083 4.143 4.660 -1.000 0.000 0.241 711 W C 1.275 177.693 176.519 -0.169 0.000 1.289 711 W CA 0.117 57.250 57.345 -0.354 0.000 1.396 711 W CB -1.952 27.514 29.460 0.011 0.000 1.138 711 W HN -0.143 nan 8.180 nan 0.000 0.677 712 N N 0.546 119.097 118.700 -0.248 0.000 2.305 712 N HA -0.069 4.074 4.740 -0.994 0.000 0.179 712 N C 1.504 176.915 175.510 -0.165 0.000 1.019 712 N CA 1.945 54.909 53.050 -0.144 0.000 0.869 712 N CB -0.806 37.577 38.487 -0.174 0.000 1.000 712 N HN 0.140 nan 8.380 nan 0.000 0.431 713 T N 0.208 114.636 114.554 -0.210 0.000 2.777 713 T HA -0.109 3.644 4.350 -0.994 0.000 0.266 713 T C 0.743 175.378 174.700 -0.108 0.000 1.040 713 T CA 1.003 63.014 62.100 -0.148 0.000 1.141 713 T CB -0.276 68.500 68.868 -0.154 0.000 0.868 713 T HN 0.268 nan 8.240 nan 0.000 0.444 714 H N 1.166 120.101 119.070 -0.225 0.000 2.615 714 H HA 0.409 4.370 4.556 -0.991 0.000 0.363 714 H C -0.495 174.610 175.328 -0.372 0.000 1.148 714 H CA -0.588 55.347 56.048 -0.188 0.000 1.401 714 H CB 0.602 30.380 29.762 0.027 0.000 1.461 714 H HN 0.024 nan 8.280 nan 0.000 0.588 715 V N 2.644 122.052 119.914 -0.842 0.000 2.444 715 V HA 0.333 3.856 4.120 -0.994 0.000 0.294 715 V C -0.268 175.459 176.094 -0.611 0.000 1.022 715 V CA -1.125 60.771 62.300 -0.673 0.000 0.850 715 V CB 0.840 32.444 31.823 -0.366 0.000 0.992 715 V HN 0.608 nan 8.190 nan 0.000 0.426 716 W N 0.000 121.256 121.300 -0.073 0.000 2.388 716 W HA 0.000 4.063 4.660 -0.996 0.000 0.303 716 W CA 0.000 57.355 57.345 0.016 0.000 1.226 716 W CB 0.000 29.509 29.460 0.082 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535