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 1k2t_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 0.000 176.498 176.300 0.330 0.000 0.893 299 R CA 0.000 56.246 56.100 0.244 0.000 0.921 299 R CB 0.000 30.403 30.300 0.171 0.000 0.687 300 F N 4.336 124.335 119.950 0.082 0.000 2.495 300 F HA 0.367 3.460 4.527 -2.390 0.000 0.365 300 F C 0.356 176.210 175.800 0.090 0.000 1.090 300 F CA -0.004 58.059 58.000 0.106 0.000 1.235 300 F CB 0.696 39.727 39.000 0.051 0.000 1.119 300 F HN 0.199 nan 8.300 nan 0.000 0.562 301 L N 4.109 125.457 121.223 0.209 0.000 2.365 301 L HA 0.476 3.382 4.340 -2.390 0.000 0.273 301 L C -0.394 176.532 176.870 0.093 0.000 1.000 301 L CA -0.879 53.999 54.840 0.063 0.000 0.819 301 L CB 2.031 43.987 42.059 -0.173 0.000 1.284 301 L HN 0.521 nan 8.230 nan 0.000 0.418 302 K N 2.170 122.608 120.400 0.064 0.000 2.164 302 K HA 0.685 3.571 4.320 -2.390 0.000 0.258 302 K C -1.255 175.351 176.600 0.011 0.000 0.951 302 K CA -0.740 55.573 56.287 0.043 0.000 0.844 302 K CB 2.720 35.234 32.500 0.023 0.000 1.099 302 K HN 0.196 nan 8.250 nan 0.000 0.435 303 V N 3.111 123.004 119.914 -0.035 0.000 2.483 303 V HA 0.266 2.952 4.120 -2.390 0.000 0.297 303 V C -0.584 175.427 176.094 -0.137 0.000 1.027 303 V CA -0.795 61.472 62.300 -0.056 0.000 0.855 303 V CB 1.603 33.395 31.823 -0.052 0.000 0.995 303 V HN 0.652 nan 8.190 nan 0.000 0.424 304 K N 4.407 124.719 120.400 -0.146 0.000 2.182 304 K HA 0.410 3.296 4.320 -2.390 0.000 0.262 304 K C -0.469 175.945 176.600 -0.310 0.000 0.957 304 K CA -0.650 55.447 56.287 -0.318 0.000 0.842 304 K CB 1.262 33.415 32.500 -0.578 0.000 1.099 304 K HN 0.693 nan 8.250 nan 0.000 0.438 305 N N 4.211 122.753 118.700 -0.263 0.000 2.426 305 N HA 0.069 3.375 4.740 -2.390 0.000 0.257 305 N C -0.237 175.174 175.510 -0.165 0.000 1.002 305 N CA -0.320 52.685 53.050 -0.074 0.000 0.942 305 N CB 0.466 38.949 38.487 -0.006 0.000 1.112 305 N HN 0.662 nan 8.380 nan 0.000 0.499 306 W N 2.104 123.474 121.300 0.117 0.000 2.937 306 W HA 0.139 3.364 4.660 -2.391 0.000 0.245 306 W C 1.965 178.537 176.519 0.089 0.000 1.306 306 W CA -0.193 57.217 57.345 0.108 0.000 1.470 306 W CB 0.307 29.851 29.460 0.139 0.000 1.132 306 W HN 0.634 nan 8.180 nan 0.000 0.675 307 E N -0.285 120.041 120.200 0.209 0.000 2.216 307 E HA -0.088 2.828 4.350 -2.390 0.000 0.192 307 E C 1.702 178.310 176.600 0.014 0.000 0.973 307 E CA 1.582 58.006 56.400 0.040 0.000 0.851 307 E CB 0.267 29.914 29.700 -0.089 0.000 0.804 307 E HN 0.258 nan 8.360 nan 0.000 0.477 308 T N -3.246 111.313 114.554 0.008 0.000 3.004 308 T HA 0.127 3.043 4.350 -2.390 0.000 0.266 308 T C 0.498 175.164 174.700 -0.057 0.000 0.986 308 T CA 0.217 62.305 62.100 -0.021 0.000 0.902 308 T CB 0.484 69.342 68.868 -0.016 0.000 1.118 308 T HN -0.003 nan 8.240 nan 0.000 0.522 309 D N 0.208 120.547 120.400 -0.102 0.000 2.880 309 D HA -0.137 3.068 4.640 -2.390 0.000 0.198 309 D C 0.063 176.253 176.300 -0.183 0.000 1.059 309 D CA 0.656 54.548 54.000 -0.180 0.000 1.019 309 D CB -1.610 39.115 40.800 -0.124 0.000 1.112 309 D HN 0.436 nan 8.370 nan 0.000 0.424 310 V N 1.481 121.313 119.914 -0.137 0.000 2.617 310 V HA 0.028 2.714 4.120 -2.390 0.000 0.304 310 V C 0.860 176.849 176.094 -0.174 0.000 1.040 310 V CA 0.367 62.590 62.300 -0.130 0.000 1.149 310 V CB 1.391 33.153 31.823 -0.103 0.000 0.914 310 V HN -0.032 nan 8.190 nan 0.000 0.487 311 V N 7.160 126.978 119.914 -0.160 0.000 2.409 311 V HA 0.482 3.168 4.120 -2.390 0.000 0.291 311 V C -0.063 175.935 176.094 -0.160 0.000 1.020 311 V CA -0.493 61.705 62.300 -0.170 0.000 0.848 311 V CB 1.475 33.213 31.823 -0.141 0.000 0.990 311 V HN 0.619 nan 8.190 nan 0.000 0.430 312 L N 3.449 124.530 121.223 -0.237 0.000 2.334 312 L HA 0.700 3.606 4.340 -2.390 0.000 0.272 312 L C 0.192 177.001 176.870 -0.101 0.000 1.020 312 L CA -0.403 54.268 54.840 -0.281 0.000 0.812 312 L CB 2.158 43.712 42.059 -0.841 0.000 1.264 312 L HN 0.534 nan 8.230 nan 0.000 0.439 313 T N -0.039 114.577 114.554 0.103 0.000 2.797 313 T HA 0.238 3.153 4.350 -2.390 0.000 0.279 313 T C -0.853 174.051 174.700 0.340 0.000 0.991 313 T CA -0.486 61.738 62.100 0.206 0.000 0.979 313 T CB 1.491 70.488 68.868 0.215 0.000 0.943 313 T HN 0.444 nan 8.240 nan 0.000 0.444 314 D N 1.812 122.388 120.400 0.294 0.000 2.256 314 D HA 0.320 3.526 4.640 -2.390 0.000 0.240 314 D C 0.642 176.982 176.300 0.067 0.000 1.062 314 D CA -0.363 53.765 54.000 0.214 0.000 0.832 314 D CB 1.783 42.758 40.800 0.292 0.000 1.135 314 D HN 0.666 nan 8.370 nan 0.000 0.484 315 T N 0.657 115.124 114.554 -0.146 0.000 2.966 315 T HA 0.041 2.957 4.350 -2.390 0.000 0.254 315 T C 2.054 176.477 174.700 -0.460 0.000 0.961 315 T CA -0.245 61.596 62.100 -0.432 0.000 0.915 315 T CB -0.126 68.375 68.868 -0.610 0.000 1.186 315 T HN 0.333 nan 8.240 nan 0.000 0.505 316 L N 2.347 123.399 121.223 -0.285 0.000 2.189 316 L HA -0.172 2.734 4.340 -2.390 0.000 0.214 316 L C 2.979 179.622 176.870 -0.378 0.000 1.097 316 L CA 2.043 56.735 54.840 -0.247 0.000 0.764 316 L CB -0.452 41.535 42.059 -0.120 0.000 0.900 316 L HN 0.578 nan 8.230 nan 0.000 0.436 317 H N -0.768 117.907 119.070 -0.659 0.000 2.489 317 H HA -0.177 2.944 4.556 -2.390 0.000 0.293 317 H C 2.022 177.027 175.328 -0.538 0.000 1.066 317 H CA 1.117 56.485 56.048 -1.134 0.000 1.305 317 H CB -0.761 28.306 29.762 -1.158 0.000 1.386 317 H HN 0.412 nan 8.280 nan 0.000 0.551 318 L N 0.683 121.323 121.223 -0.973 0.000 2.261 318 L HA -0.132 2.774 4.340 -2.390 0.000 0.216 318 L C 1.784 178.466 176.870 -0.314 0.000 1.114 318 L CA 1.343 55.824 54.840 -0.598 0.000 0.777 318 L CB -0.307 41.428 42.059 -0.539 0.000 0.910 318 L HN 0.192 nan 8.230 nan 0.000 0.440 319 K N -0.312 119.924 120.400 -0.274 0.000 2.520 319 K HA 0.096 2.982 4.320 -2.390 0.000 0.205 319 K C 0.646 177.200 176.600 -0.076 0.000 1.035 319 K CA -0.192 56.009 56.287 -0.143 0.000 1.188 319 K CB 0.321 32.754 32.500 -0.112 0.000 0.894 319 K HN 0.032 nan 8.250 nan 0.000 0.497 320 S N 0.751 116.396 115.700 -0.091 0.000 2.580 320 S HA 0.075 3.111 4.470 -2.390 0.000 0.274 320 S C 1.183 175.786 174.600 0.005 0.000 1.329 320 S CA -0.293 57.908 58.200 0.003 0.000 1.036 320 S CB 0.826 64.034 63.200 0.014 0.000 0.919 320 S HN 0.420 nan 8.310 nan 0.000 0.515 321 T N 3.562 118.132 114.554 0.028 0.000 3.286 321 T HA 0.339 3.255 4.350 -2.390 0.000 0.237 321 T C 1.101 175.812 174.700 0.018 0.000 0.969 321 T CA -0.303 61.806 62.100 0.016 0.000 1.298 321 T CB -0.666 68.212 68.868 0.017 0.000 1.053 321 T HN 0.483 nan 8.240 nan 0.000 0.402 322 L N 1.590 122.826 121.223 0.020 0.000 2.456 322 L HA 0.356 3.262 4.340 -2.390 0.000 0.246 322 L C 0.337 177.221 176.870 0.024 0.000 1.238 322 L CA -0.344 54.505 54.840 0.015 0.000 0.826 322 L CB 0.091 42.152 42.059 0.003 0.000 1.150 322 L HN 0.408 nan 8.230 nan 0.000 0.514 323 E N -1.004 119.207 120.200 0.019 0.000 2.191 323 E HA 0.145 3.061 4.350 -2.390 0.000 0.274 323 E C 0.439 177.052 176.600 0.023 0.000 0.948 323 E CA -0.147 56.268 56.400 0.024 0.000 0.802 323 E CB 1.658 31.371 29.700 0.021 0.000 1.137 323 E HN 0.669 nan 8.360 nan 0.000 0.397 324 T N -0.314 114.260 114.554 0.033 0.000 2.951 324 T HA 0.040 2.956 4.350 -2.390 0.000 0.268 324 T C 1.439 176.153 174.700 0.024 0.000 1.073 324 T CA 0.764 62.882 62.100 0.030 0.000 1.134 324 T CB -0.078 68.817 68.868 0.046 0.000 0.884 324 T HN 0.810 nan 8.240 nan 0.000 0.479 325 G N -0.027 108.789 108.800 0.027 0.000 2.232 325 G HA2 -0.219 2.307 3.960 -2.390 0.000 0.226 325 G HA3 -0.219 2.307 3.960 -2.390 0.000 0.226 325 G C 0.339 175.259 174.900 0.035 0.000 0.996 325 G CA -0.204 44.914 45.100 0.030 0.000 0.626 325 G HN 0.749 nan 8.290 nan 0.000 0.509 326 C N 1.305 120.626 119.300 0.034 0.000 2.403 326 C HA 0.941 3.967 4.460 -2.390 0.000 0.361 326 C C 1.048 176.058 174.990 0.034 0.000 1.274 326 C CA 0.650 59.689 59.018 0.034 0.000 2.433 326 C CB 1.036 28.794 27.740 0.030 0.000 2.323 326 C HN 1.054 nan 8.230 nan 0.000 0.614 327 T N -1.738 112.837 114.554 0.034 0.000 2.696 327 T HA 0.389 3.305 4.350 -2.390 0.000 0.291 327 T C 0.068 174.769 174.700 0.003 0.000 1.095 327 T CA -0.456 61.663 62.100 0.033 0.000 1.026 327 T CB 1.019 69.928 68.868 0.069 0.000 1.390 327 T HN 0.451 nan 8.240 nan 0.000 0.513 328 E N -0.361 119.814 120.200 -0.042 0.000 2.347 328 E HA 0.036 2.952 4.350 -2.390 0.000 0.196 328 E C 1.591 178.057 176.600 -0.224 0.000 1.008 328 E CA 0.976 57.290 56.400 -0.143 0.000 0.852 328 E CB -0.180 29.392 29.700 -0.213 0.000 0.783 328 E HN 0.571 nan 8.360 nan 0.000 0.505 329 H N -1.010 118.064 119.070 0.007 0.000 2.516 329 H HA 0.347 3.469 4.556 -2.390 0.000 0.284 329 H C 0.361 175.692 175.328 0.005 0.000 0.999 329 H CA 0.372 56.423 56.048 0.006 0.000 1.303 329 H CB 1.004 30.770 29.762 0.007 0.000 1.452 329 H HN 0.108 nan 8.280 nan 0.000 0.530 330 I N 0.496 121.137 120.570 0.119 0.000 2.619 330 I HA 0.198 2.934 4.170 -2.390 0.000 0.292 330 I C -0.991 175.153 176.117 0.045 0.000 1.100 330 I CA -0.721 60.622 61.300 0.072 0.000 1.043 330 I CB 2.279 40.321 38.000 0.069 0.000 1.239 330 I HN 0.054 nan 8.210 nan 0.000 0.420 331 C N 7.527 126.846 119.300 0.032 0.000 2.319 331 C HA 0.558 3.584 4.460 -2.390 0.000 0.335 331 C C 0.667 175.677 174.990 0.033 0.000 1.274 331 C CA -0.477 58.556 59.018 0.025 0.000 1.806 331 C CB 0.673 28.419 27.740 0.010 0.000 2.329 331 C HN 0.874 nan 8.230 nan 0.000 0.524 332 M N 4.715 124.338 119.600 0.039 0.000 2.589 332 M HA 0.208 3.254 4.480 -2.390 0.000 0.344 332 M C 1.802 178.137 176.300 0.060 0.000 1.168 332 M CA 0.019 55.348 55.300 0.048 0.000 0.956 332 M CB 0.228 32.857 32.600 0.049 0.000 1.370 332 M HN 0.985 nan 8.290 nan 0.000 0.518 333 G N 1.370 110.204 108.800 0.056 0.000 2.532 333 G HA2 -0.249 2.277 3.960 -2.390 0.000 0.222 333 G HA3 -0.249 2.277 3.960 -2.390 0.000 0.222 333 G C 1.409 176.378 174.900 0.114 0.000 1.102 333 G CA 1.679 46.824 45.100 0.075 0.000 0.742 333 G HN 0.587 nan 8.290 nan 0.000 0.577 334 S N -0.541 115.222 115.700 0.105 0.000 2.557 334 S HA 0.384 3.420 4.470 -2.390 0.000 0.223 334 S C 0.571 175.254 174.600 0.138 0.000 0.969 334 S CA -0.645 57.636 58.200 0.134 0.000 0.927 334 S CB 0.208 63.471 63.200 0.105 0.000 0.806 334 S HN 0.025 nan 8.310 nan 0.000 0.489 335 I N 2.507 123.150 120.570 0.121 0.000 2.396 335 I HA 0.235 2.971 4.170 -2.390 0.000 0.289 335 I C 1.498 177.711 176.117 0.159 0.000 1.056 335 I CA -0.172 61.199 61.300 0.118 0.000 1.365 335 I CB 0.484 38.537 38.000 0.088 0.000 1.407 335 I HN 0.302 nan 8.210 nan 0.000 0.509 336 M N 6.966 126.681 119.600 0.191 0.000 2.106 336 M HA -0.164 2.882 4.480 -2.390 0.000 0.259 336 M C -0.053 176.402 176.300 0.259 0.000 1.068 336 M CA 2.070 57.532 55.300 0.270 0.000 1.100 336 M CB 0.100 32.845 32.600 0.242 0.000 1.351 336 M HN 0.528 nan 8.290 nan 0.000 0.404 337 L N -2.234 119.104 121.223 0.192 0.000 2.628 337 L HA 0.566 3.472 4.340 -2.390 0.000 0.258 337 L C -2.452 174.484 176.870 0.109 0.000 1.027 337 L CA -1.671 53.278 54.840 0.182 0.000 0.910 337 L CB -1.221 41.009 42.059 0.285 0.000 1.157 337 L HN -0.142 nan 8.230 nan 0.000 0.452 351 K N 0.803 121.236 120.400 0.055 0.000 2.034 351 K HA -0.191 2.695 4.320 -2.390 0.000 0.214 351 K C 1.290 177.944 176.600 0.090 0.000 1.051 351 K CA 2.048 58.375 56.287 0.066 0.000 0.931 351 K CB -0.076 32.445 32.500 0.035 0.000 0.715 351 K HN 0.537 nan 8.250 nan 0.000 0.446 352 D N 0.572 121.014 120.400 0.070 0.000 2.219 352 D HA -0.140 3.066 4.640 -2.390 0.000 0.205 352 D C 1.977 178.328 176.300 0.086 0.000 0.970 352 D CA 1.156 55.204 54.000 0.080 0.000 0.851 352 D CB 0.031 40.863 40.800 0.053 0.000 0.943 352 D HN 0.377 nan 8.370 nan 0.000 0.488 353 Q N -0.234 119.610 119.800 0.073 0.000 2.163 353 Q HA -0.020 2.886 4.340 -2.390 0.000 0.198 353 Q C 2.160 178.207 176.000 0.078 0.000 0.954 353 Q CA 0.243 56.083 55.803 0.062 0.000 0.851 353 Q CB 0.107 28.873 28.738 0.047 0.000 0.928 353 Q HN 0.135 nan 8.270 nan 0.000 0.459 354 L N -0.081 121.206 121.223 0.107 0.000 2.109 354 L HA -0.086 2.820 4.340 -2.390 0.000 0.207 354 L C 1.941 178.911 176.870 0.167 0.000 1.086 354 L CA 1.468 56.394 54.840 0.144 0.000 0.760 354 L CB -0.432 41.729 42.059 0.171 0.000 0.910 354 L HN 0.103 nan 8.230 nan 0.000 0.437 355 F N 1.736 121.690 119.950 0.007 0.000 2.146 355 F HA 0.010 3.103 4.527 -2.391 0.000 0.298 355 F C -0.589 175.210 175.800 -0.001 0.000 1.096 355 F CA 0.859 58.842 58.000 -0.029 0.000 1.275 355 F CB -1.644 37.333 39.000 -0.039 0.000 1.008 355 F HN 0.167 nan 8.300 nan 0.000 0.480 356 P HA -0.205 nan 4.420 nan 0.000 0.215 356 P C 2.189 179.407 177.300 -0.138 0.000 1.157 356 P CA 1.815 64.809 63.100 -0.176 0.000 0.868 356 P CB -0.226 31.449 31.700 -0.042 0.000 0.788 357 L N -0.484 120.716 121.223 -0.037 0.000 2.042 357 L HA -0.177 2.729 4.340 -2.390 0.000 0.210 357 L C 2.895 179.800 176.870 0.058 0.000 1.076 357 L CA 1.755 56.609 54.840 0.024 0.000 0.749 357 L CB -1.319 40.773 42.059 0.054 0.000 0.893 357 L HN -0.041 nan 8.230 nan 0.000 0.432 358 A N 0.267 123.097 122.820 0.018 0.000 1.883 358 A HA -0.282 2.604 4.320 -2.390 0.000 0.217 358 A C 2.402 179.975 177.584 -0.018 0.000 1.186 358 A CA 2.165 54.230 52.037 0.047 0.000 0.624 358 A CB -0.537 18.364 19.000 -0.165 0.000 0.822 358 A HN 0.369 nan 8.150 nan 0.000 0.444 359 K N -0.071 120.149 120.400 -0.300 0.000 2.032 359 K HA -0.253 2.633 4.320 -2.390 0.000 0.209 359 K C 2.120 178.697 176.600 -0.039 0.000 1.048 359 K CA 1.890 58.011 56.287 -0.277 0.000 0.927 359 K CB -0.269 31.910 32.500 -0.535 0.000 0.712 359 K HN 0.637 nan 8.250 nan 0.000 0.441 360 E N -0.196 119.998 120.200 -0.010 0.000 2.049 360 E HA -0.257 2.659 4.350 -2.390 0.000 0.198 360 E C 1.954 178.643 176.600 0.148 0.000 1.007 360 E CA 1.579 58.020 56.400 0.068 0.000 0.809 360 E CB -0.330 29.409 29.700 0.065 0.000 0.749 360 E HN 0.395 nan 8.360 nan 0.000 0.450 361 F N 1.534 121.516 119.950 0.054 0.000 2.069 361 F HA -0.187 2.906 4.527 -2.389 0.000 0.298 361 F C 2.101 177.974 175.800 0.122 0.000 1.113 361 F CA 1.602 59.665 58.000 0.104 0.000 1.214 361 F CB -0.580 38.498 39.000 0.130 0.000 0.978 361 F HN 0.026 nan 8.300 nan 0.000 0.474 362 L N 0.076 121.264 121.223 -0.057 0.000 2.043 362 L HA -0.274 2.632 4.340 -2.390 0.000 0.212 362 L C 2.305 179.143 176.870 -0.053 0.000 1.075 362 L CA 1.663 56.459 54.840 -0.072 0.000 0.752 362 L CB -0.916 41.222 42.059 0.131 0.000 0.891 362 L HN 0.158 nan 8.230 nan 0.000 0.432 363 D N -0.414 120.014 120.400 0.047 0.000 2.117 363 D HA -0.194 3.012 4.640 -2.390 0.000 0.197 363 D C 2.269 178.599 176.300 0.050 0.000 0.987 363 D CA 1.183 55.282 54.000 0.166 0.000 0.829 363 D CB -0.164 40.847 40.800 0.352 0.000 0.961 363 D HN 0.482 nan 8.370 nan 0.000 0.460 364 Q N -0.342 119.429 119.800 -0.048 0.000 2.030 364 Q HA -0.206 2.700 4.340 -2.390 0.000 0.204 364 Q C 2.212 178.011 176.000 -0.335 0.000 0.986 364 Q CA 1.244 56.983 55.803 -0.107 0.000 0.843 364 Q CB -0.398 28.353 28.738 0.022 0.000 0.904 364 Q HN 0.354 nan 8.270 nan 0.000 0.420 365 Y N 0.403 120.249 120.300 -0.756 0.000 2.081 365 Y HA -0.321 2.795 4.550 -2.389 0.000 0.280 365 Y C 1.862 177.286 175.900 -0.793 0.000 1.163 365 Y CA 1.703 59.092 58.100 -1.186 0.000 1.135 365 Y CB -0.572 37.101 38.460 -1.311 0.000 0.970 365 Y HN 0.104 nan 8.280 nan 0.000 0.498 366 Y N -1.035 118.851 120.300 -0.690 0.000 2.293 366 Y HA -0.176 2.940 4.550 -2.390 0.000 0.291 366 Y C 3.051 178.739 175.900 -0.353 0.000 1.137 366 Y CA 1.678 59.413 58.100 -0.608 0.000 1.202 366 Y CB -0.704 37.348 38.460 -0.680 0.000 0.990 366 Y HN 0.201 nan 8.280 nan 0.000 0.537 367 S N -0.616 115.029 115.700 -0.091 0.000 2.406 367 S HA -0.166 2.870 4.470 -2.390 0.000 0.228 367 S C 2.287 176.780 174.600 -0.178 0.000 1.020 367 S CA 1.262 59.416 58.200 -0.076 0.000 0.965 367 S CB -0.549 62.522 63.200 -0.215 0.000 0.798 367 S HN 0.576 nan 8.310 nan 0.000 0.488 368 S N 1.913 117.439 115.700 -0.290 0.000 2.402 368 S HA -0.012 3.024 4.470 -2.390 0.000 0.229 368 S C 1.625 176.069 174.600 -0.259 0.000 1.021 368 S CA 0.901 58.962 58.200 -0.230 0.000 0.974 368 S CB -0.885 62.184 63.200 -0.219 0.000 0.800 368 S HN 0.802 nan 8.310 nan 0.000 0.484 369 I N -2.066 118.247 120.570 -0.428 0.000 3.855 369 I HA 0.419 3.155 4.170 -2.390 0.000 0.327 369 I C -0.172 175.831 176.117 -0.189 0.000 1.359 369 I CA -0.630 60.460 61.300 -0.350 0.000 1.142 369 I CB -0.632 37.028 38.000 -0.566 0.000 1.041 369 I HN -0.001 nan 8.210 nan 0.000 0.403 370 K N 1.820 122.145 120.400 -0.125 0.000 3.148 370 K HA -0.147 2.739 4.320 -2.390 0.000 0.267 370 K C -0.162 176.441 176.600 0.005 0.000 0.996 370 K CA 0.323 56.586 56.287 -0.041 0.000 0.737 370 K CB -0.948 31.531 32.500 -0.035 0.000 1.308 370 K HN 0.477 nan 8.250 nan 0.000 0.470 371 R N 0.241 120.766 120.500 0.041 0.000 2.599 371 R HA 0.117 3.023 4.340 -2.390 0.000 0.451 371 R C -0.604 175.809 176.300 0.188 0.000 0.988 371 R CA -0.488 55.679 56.100 0.111 0.000 1.085 371 R CB -0.083 30.303 30.300 0.144 0.000 1.452 371 R HN 0.176 nan 8.270 nan 0.000 0.596 372 F N 1.470 121.444 119.950 0.041 0.000 2.557 372 F HA 0.277 3.369 4.527 -2.391 0.000 0.384 372 F C 1.409 177.308 175.800 0.166 0.000 1.057 372 F CA 1.698 59.761 58.000 0.104 0.000 1.169 372 F CB 0.425 39.444 39.000 0.033 0.000 1.070 372 F HN 0.587 nan 8.300 nan 0.000 0.554 373 G N 3.006 111.696 108.800 -0.184 0.000 2.241 373 G HA2 -0.297 2.229 3.960 -2.390 0.000 0.244 373 G HA3 -0.297 2.229 3.960 -2.390 0.000 0.244 373 G C 0.535 175.291 174.900 -0.240 0.000 0.998 373 G CA 0.242 45.092 45.100 -0.416 0.000 0.621 373 G HN 1.246 nan 8.290 nan 0.000 0.519 374 S N 0.246 115.889 115.700 -0.095 0.000 2.564 374 S HA 0.156 3.192 4.470 -2.390 0.000 0.263 374 S C 1.430 175.958 174.600 -0.120 0.000 1.378 374 S CA 1.173 59.333 58.200 -0.066 0.000 0.996 374 S CB 0.962 64.168 63.200 0.010 0.000 0.881 374 S HN 0.643 nan 8.310 nan 0.000 0.555 375 K N 0.904 121.255 120.400 -0.081 0.000 2.097 375 K HA -0.130 2.755 4.320 -2.390 0.000 0.206 375 K C 2.371 178.916 176.600 -0.092 0.000 1.049 375 K CA 1.271 57.505 56.287 -0.089 0.000 0.933 375 K CB -0.926 31.544 32.500 -0.050 0.000 0.717 375 K HN 0.754 nan 8.250 nan 0.000 0.442 376 A N 0.809 123.601 122.820 -0.045 0.000 1.873 376 A HA -0.273 2.613 4.320 -2.390 0.000 0.218 376 A C 2.041 179.503 177.584 -0.203 0.000 1.193 376 A CA 2.019 54.056 52.037 -0.000 0.000 0.629 376 A CB -1.144 17.951 19.000 0.159 0.000 0.826 376 A HN 0.656 nan 8.150 nan 0.000 0.447 377 H N -1.274 117.393 119.070 -0.673 0.000 2.267 377 H HA -0.170 2.952 4.556 -2.390 0.000 0.297 377 H C 2.174 177.116 175.328 -0.643 0.000 1.080 377 H CA 1.712 56.965 56.048 -1.324 0.000 1.278 377 H CB -0.111 29.036 29.762 -1.024 0.000 1.365 377 H HN 0.343 nan 8.280 nan 0.000 0.489 378 M N 0.962 120.316 119.600 -0.411 0.000 2.080 378 M HA -0.181 2.865 4.480 -2.390 0.000 0.260 378 M C 1.796 177.986 176.300 -0.184 0.000 1.068 378 M CA 1.243 56.337 55.300 -0.343 0.000 1.109 378 M CB -0.841 31.592 32.600 -0.278 0.000 1.342 378 M HN 0.405 nan 8.290 nan 0.000 0.405 379 D N -0.101 120.220 120.400 -0.132 0.000 2.087 379 D HA -0.184 3.022 4.640 -2.390 0.000 0.192 379 D C 2.046 178.329 176.300 -0.029 0.000 0.993 379 D CA 1.425 55.387 54.000 -0.063 0.000 0.828 379 D CB -0.423 40.359 40.800 -0.030 0.000 0.968 379 D HN 0.159 nan 8.370 nan 0.000 0.448 380 R N 0.854 121.347 120.500 -0.011 0.000 2.096 380 R HA -0.155 2.751 4.340 -2.390 0.000 0.240 380 R C 2.222 178.559 176.300 0.062 0.000 1.139 380 R CA 0.933 57.072 56.100 0.065 0.000 0.952 380 R CB -1.088 29.312 30.300 0.167 0.000 0.854 380 R HN 0.181 nan 8.270 nan 0.000 0.436 381 L N 0.775 122.014 121.223 0.027 0.000 2.012 381 L HA -0.145 2.761 4.340 -2.390 0.000 0.210 381 L C 2.144 179.076 176.870 0.104 0.000 1.073 381 L CA 2.463 57.350 54.840 0.078 0.000 0.748 381 L CB -1.038 41.016 42.059 -0.008 0.000 0.891 381 L HN 0.359 nan 8.230 nan 0.000 0.431 382 E N -0.165 120.044 120.200 0.015 0.000 2.051 382 E HA -0.279 2.637 4.350 -2.390 0.000 0.192 382 E C 2.184 178.763 176.600 -0.036 0.000 0.991 382 E CA 1.750 58.135 56.400 -0.026 0.000 0.799 382 E CB -0.321 29.350 29.700 -0.048 0.000 0.748 382 E HN 0.625 nan 8.360 nan 0.000 0.449 383 E N -0.514 119.683 120.200 -0.005 0.000 2.070 383 E HA -0.200 2.716 4.350 -2.390 0.000 0.197 383 E C 2.006 178.608 176.600 0.005 0.000 1.004 383 E CA 1.831 58.234 56.400 0.007 0.000 0.805 383 E CB -0.011 29.712 29.700 0.038 0.000 0.744 383 E HN 0.222 nan 8.360 nan 0.000 0.451 384 V N 1.411 121.335 119.914 0.016 0.000 2.295 384 V HA -0.268 2.418 4.120 -2.390 0.000 0.246 384 V C 2.307 178.345 176.094 -0.093 0.000 1.049 384 V CA 2.006 64.280 62.300 -0.043 0.000 1.024 384 V CB -0.962 30.773 31.823 -0.147 0.000 0.648 384 V HN 0.378 nan 8.190 nan 0.000 0.447 385 N N 0.659 119.279 118.700 -0.134 0.000 2.018 385 N HA -0.232 3.074 4.740 -2.390 0.000 0.196 385 N C 1.835 177.140 175.510 -0.341 0.000 1.043 385 N CA 1.727 54.432 53.050 -0.576 0.000 0.856 385 N CB -0.219 37.772 38.487 -0.827 0.000 1.042 385 N HN 0.191 nan 8.380 nan 0.000 0.423 386 K N 0.712 120.988 120.400 -0.206 0.000 2.063 386 K HA -0.174 2.712 4.320 -2.390 0.000 0.208 386 K C 1.994 178.547 176.600 -0.078 0.000 1.048 386 K CA 1.154 57.363 56.287 -0.130 0.000 0.928 386 K CB -0.567 31.883 32.500 -0.083 0.000 0.713 386 K HN 0.530 nan 8.250 nan 0.000 0.442 387 E N 0.532 120.707 120.200 -0.041 0.000 2.058 387 E HA -0.145 2.771 4.350 -2.390 0.000 0.194 387 E C 2.072 178.688 176.600 0.027 0.000 0.997 387 E CA 0.984 57.395 56.400 0.019 0.000 0.801 387 E CB -0.026 29.723 29.700 0.083 0.000 0.746 387 E HN 0.236 nan 8.360 nan 0.000 0.450 388 I N 0.996 121.568 120.570 0.002 0.000 2.286 388 I HA -0.245 2.491 4.170 -2.390 0.000 0.248 388 I C 2.133 178.242 176.117 -0.014 0.000 1.115 388 I CA 1.204 62.521 61.300 0.028 0.000 1.392 388 I CB -0.331 37.680 38.000 0.018 0.000 1.065 388 I HN 0.154 nan 8.210 nan 0.000 0.418 389 E N 0.152 120.309 120.200 -0.072 0.000 2.150 389 E HA -0.190 2.726 4.350 -2.390 0.000 0.193 389 E C 2.208 178.786 176.600 -0.035 0.000 0.985 389 E CA 1.488 57.846 56.400 -0.069 0.000 0.814 389 E CB -0.085 29.550 29.700 -0.109 0.000 0.752 389 E HN 0.381 nan 8.360 nan 0.000 0.466 390 S N 0.526 116.212 115.700 -0.025 0.000 2.339 390 S HA -0.083 2.953 4.470 -2.390 0.000 0.213 390 S C 2.172 176.774 174.600 0.004 0.000 1.033 390 S CA 1.448 59.642 58.200 -0.010 0.000 0.950 390 S CB -0.212 62.983 63.200 -0.008 0.000 0.893 390 S HN 0.355 nan 8.310 nan 0.000 0.492 391 T N 0.021 114.586 114.554 0.018 0.000 3.129 391 T HA 0.175 3.091 4.350 -2.390 0.000 0.251 391 T C 0.945 175.663 174.700 0.032 0.000 1.117 391 T CA 1.043 63.159 62.100 0.026 0.000 1.034 391 T CB -0.557 68.335 68.868 0.040 0.000 0.968 391 T HN 1.129 nan 8.240 nan 0.000 0.526 392 S N -1.210 114.509 115.700 0.033 0.000 3.445 392 S HA -0.208 2.828 4.470 -2.390 0.000 0.319 392 S C 0.324 174.966 174.600 0.070 0.000 1.209 392 S CA 1.081 59.305 58.200 0.040 0.000 0.934 392 S CB -2.934 60.280 63.200 0.024 0.000 0.999 392 S HN 1.237 nan 8.310 nan 0.000 0.582 393 T N -0.679 113.942 114.554 0.111 0.000 2.660 393 T HA 0.562 3.478 4.350 -2.390 0.000 0.299 393 T C -1.682 173.194 174.700 0.293 0.000 1.763 393 T CA -0.091 62.117 62.100 0.180 0.000 0.959 393 T CB 0.557 69.457 68.868 0.053 0.000 1.935 393 T HN 1.591 nan 8.240 nan 0.000 0.470 394 Y N -0.681 119.630 120.300 0.018 0.000 2.750 394 Y HA 0.816 3.933 4.550 -2.388 0.000 0.335 394 Y C -1.684 174.236 175.900 0.033 0.000 1.252 394 Y CA -1.277 56.845 58.100 0.036 0.000 1.064 394 Y CB 0.911 39.414 38.460 0.072 0.000 1.321 394 Y HN 0.491 nan 8.280 nan 0.000 0.451 395 Q N 1.725 121.532 119.800 0.012 0.000 2.337 395 Q HA 0.424 3.330 4.340 -2.390 0.000 0.266 395 Q C -1.371 174.646 176.000 0.028 0.000 1.023 395 Q CA -0.996 54.766 55.803 -0.068 0.000 0.829 395 Q CB 2.975 31.722 28.738 0.016 0.000 1.306 395 Q HN 0.640 nan 8.270 nan 0.000 0.449 396 L N 1.585 122.801 121.223 -0.012 0.000 2.418 396 L HA 0.283 3.189 4.340 -2.390 0.000 0.265 396 L C 0.602 177.510 176.870 0.063 0.000 1.143 396 L CA 0.272 55.164 54.840 0.087 0.000 0.809 396 L CB 0.250 42.356 42.059 0.079 0.000 1.124 396 L HN 0.375 nan 8.230 nan 0.000 0.456 397 K N 1.383 121.815 120.400 0.052 0.000 2.118 397 K HA 0.116 3.002 4.320 -2.390 0.000 0.264 397 K C 0.424 177.005 176.600 -0.032 0.000 1.000 397 K CA -0.635 55.656 56.287 0.008 0.000 0.929 397 K CB 0.683 33.180 32.500 -0.006 0.000 1.021 397 K HN 0.451 nan 8.250 nan 0.000 0.463 398 D N 0.787 121.169 120.400 -0.030 0.000 2.192 398 D HA -0.270 2.936 4.640 -2.390 0.000 0.189 398 D C 1.867 178.133 176.300 -0.058 0.000 1.007 398 D CA 2.562 56.536 54.000 -0.043 0.000 0.859 398 D CB -0.453 40.330 40.800 -0.030 0.000 0.936 398 D HN 0.801 nan 8.370 nan 0.000 0.447 399 T N -1.070 113.439 114.554 -0.076 0.000 2.699 399 T HA -0.222 2.694 4.350 -2.390 0.000 0.268 399 T C 1.672 176.255 174.700 -0.194 0.000 1.036 399 T CA 1.583 63.625 62.100 -0.098 0.000 1.147 399 T CB -0.519 68.290 68.868 -0.099 0.000 0.862 399 T HN 0.336 nan 8.240 nan 0.000 0.446 400 E N 0.825 120.834 120.200 -0.318 0.000 2.152 400 E HA 0.071 2.987 4.350 -2.390 0.000 0.192 400 E C 2.141 178.820 176.600 0.131 0.000 0.983 400 E CA 0.635 56.897 56.400 -0.231 0.000 0.818 400 E CB -0.276 29.349 29.700 -0.126 0.000 0.758 400 E HN 0.345 nan 8.360 nan 0.000 0.467 401 L N 1.317 122.548 121.223 0.014 0.000 2.005 401 L HA -0.132 2.773 4.340 -2.390 0.000 0.207 401 L C 2.158 179.009 176.870 -0.032 0.000 1.072 401 L CA 1.474 56.280 54.840 -0.056 0.000 0.744 401 L CB -0.222 41.763 42.059 -0.124 0.000 0.895 401 L HN 0.079 nan 8.230 nan 0.000 0.433 402 I N -1.448 119.119 120.570 -0.005 0.000 2.118 402 I HA -0.391 2.345 4.170 -2.390 0.000 0.241 402 I C 2.457 178.657 176.117 0.138 0.000 1.070 402 I CA 2.053 63.368 61.300 0.025 0.000 1.327 402 I CB -0.602 37.413 38.000 0.025 0.000 1.034 402 I HN 0.384 nan 8.210 nan 0.000 0.405 403 Y N 1.746 122.107 120.300 0.102 0.000 2.128 403 Y HA -0.204 2.912 4.550 -2.390 0.000 0.284 403 Y C 2.405 178.481 175.900 0.294 0.000 1.154 403 Y CA 1.730 59.971 58.100 0.234 0.000 1.149 403 Y CB -0.813 37.772 38.460 0.208 0.000 0.976 403 Y HN 0.084 nan 8.280 nan 0.000 0.505 404 G N -0.083 108.882 108.800 0.275 0.000 2.421 404 G HA2 -0.273 2.253 3.960 -2.390 0.000 0.216 404 G HA3 -0.273 2.253 3.960 -2.390 0.000 0.216 404 G C 1.822 176.665 174.900 -0.095 0.000 1.171 404 G CA 1.104 46.242 45.100 0.063 0.000 0.775 404 G HN 0.636 nan 8.290 nan 0.000 0.543 405 A N 0.992 123.761 122.820 -0.085 0.000 1.865 405 A HA -0.060 2.826 4.320 -2.390 0.000 0.217 405 A C 2.306 179.911 177.584 0.035 0.000 1.191 405 A CA 2.087 54.069 52.037 -0.091 0.000 0.623 405 A CB -0.460 18.507 19.000 -0.055 0.000 0.826 405 A HN 0.371 nan 8.150 nan 0.000 0.444 406 K N -1.183 119.294 120.400 0.130 0.000 2.103 406 K HA -0.169 2.716 4.320 -2.390 0.000 0.207 406 K C 1.928 178.638 176.600 0.182 0.000 1.048 406 K CA 1.548 57.995 56.287 0.266 0.000 0.930 406 K CB -0.346 32.325 32.500 0.284 0.000 0.716 406 K HN 0.658 nan 8.250 nan 0.000 0.444 407 H N -0.539 118.483 119.070 -0.080 0.000 2.502 407 H HA 0.060 3.182 4.556 -2.391 0.000 0.283 407 H C 1.987 177.186 175.328 -0.216 0.000 1.015 407 H CA 0.831 56.730 56.048 -0.249 0.000 1.298 407 H CB 0.301 29.785 29.762 -0.464 0.000 1.411 407 H HN 0.245 nan 8.280 nan 0.000 0.556 408 A N 1.060 123.772 122.820 -0.180 0.000 1.930 408 A HA -0.172 2.714 4.320 -2.390 0.000 0.217 408 A C 2.168 179.702 177.584 -0.084 0.000 1.175 408 A CA 1.004 52.792 52.037 -0.415 0.000 0.627 408 A CB -0.735 17.558 19.000 -1.178 0.000 0.815 408 A HN 0.482 nan 8.150 nan 0.000 0.443 409 W N 1.012 122.274 121.300 -0.063 0.000 2.379 409 W HA -0.097 3.131 4.660 -2.387 0.000 0.307 409 W C 2.318 178.792 176.519 -0.075 0.000 1.200 409 W CA 1.442 58.822 57.345 0.057 0.000 1.297 409 W CB -0.750 28.747 29.460 0.061 0.000 1.140 409 W HN 0.359 nan 8.180 nan 0.000 0.507 410 R N 0.362 120.799 120.500 -0.106 0.000 2.139 410 R HA -0.196 2.710 4.340 -2.390 0.000 0.243 410 R C 1.524 177.638 176.300 -0.310 0.000 1.145 410 R CA 1.900 57.690 56.100 -0.518 0.000 0.976 410 R CB -0.495 29.113 30.300 -1.155 0.000 0.866 410 R HN 0.121 nan 8.270 nan 0.000 0.449 411 N N 0.102 118.689 118.700 -0.190 0.000 2.412 411 N HA 0.026 3.332 4.740 -2.390 0.000 0.184 411 N C -0.359 175.100 175.510 -0.085 0.000 1.101 411 N CA 0.591 53.553 53.050 -0.146 0.000 0.881 411 N CB 0.575 38.984 38.487 -0.130 0.000 0.969 411 N HN 0.143 nan 8.380 nan 0.000 0.459 412 A N 1.360 124.187 122.820 0.012 0.000 2.541 412 A HA 0.134 3.020 4.320 -2.390 0.000 0.293 412 A C 1.444 179.013 177.584 -0.024 0.000 1.307 412 A CA -0.146 51.904 52.037 0.022 0.000 0.978 412 A CB -0.272 18.806 19.000 0.130 0.000 1.111 412 A HN 0.282 nan 8.150 nan 0.000 0.535 413 S N 2.561 118.200 115.700 -0.102 0.000 2.469 413 S HA -0.163 2.873 4.470 -2.390 0.000 0.238 413 S C 1.485 176.024 174.600 -0.102 0.000 0.998 413 S CA 1.232 59.368 58.200 -0.107 0.000 0.957 413 S CB -0.195 62.905 63.200 -0.166 0.000 0.764 413 S HN 0.762 nan 8.310 nan 0.000 0.514 414 R N -0.604 119.808 120.500 -0.148 0.000 2.312 414 R HA 0.277 3.182 4.340 -2.390 0.000 0.205 414 R C 0.251 176.553 176.300 0.003 0.000 0.904 414 R CA 0.008 56.029 56.100 -0.133 0.000 1.052 414 R CB -0.005 29.991 30.300 -0.507 0.000 1.014 414 R HN 0.430 nan 8.270 nan 0.000 0.503 415 C N 0.570 119.867 119.300 -0.004 0.000 2.415 415 C HA 0.199 3.225 4.460 -2.390 0.000 0.369 415 C C 1.930 176.897 174.990 -0.040 0.000 1.279 415 C CA -0.591 58.457 59.018 0.050 0.000 1.886 415 C CB 0.686 28.525 27.740 0.166 0.000 2.468 415 C HN 0.256 nan 8.230 nan 0.000 0.553 416 V N 5.809 125.674 119.914 -0.081 0.000 3.235 416 V HA 0.215 2.901 4.120 -2.390 0.000 0.259 416 V C 1.775 177.921 176.094 0.087 0.000 1.133 416 V CA 2.033 64.207 62.300 -0.209 0.000 1.128 416 V CB -0.011 31.708 31.823 -0.173 0.000 0.757 416 V HN 1.073 nan 8.190 nan 0.000 0.469 417 G N -0.701 108.176 108.800 0.128 0.000 3.523 417 G HA2 0.070 2.596 3.960 -2.390 0.000 0.270 417 G HA3 0.070 2.596 3.960 -2.390 0.000 0.270 417 G C 1.141 176.095 174.900 0.091 0.000 1.134 417 G CA -0.375 44.813 45.100 0.146 0.000 0.825 417 G HN 0.411 nan 8.290 nan 0.000 0.534 418 R N -0.099 120.411 120.500 0.016 0.000 2.377 418 R HA 0.083 2.988 4.340 -2.390 0.000 0.207 418 R C 1.941 177.727 176.300 -0.856 0.000 1.075 418 R CA 0.173 56.011 56.100 -0.438 0.000 1.035 418 R CB -0.158 29.992 30.300 -0.250 0.000 0.857 418 R HN 0.459 nan 8.270 nan 0.000 0.475 419 I N 0.806 121.001 120.570 -0.625 0.000 2.614 419 I HA -0.234 2.502 4.170 -2.390 0.000 0.258 419 I C 1.116 177.065 176.117 -0.280 0.000 1.189 419 I CA 1.268 62.286 61.300 -0.469 0.000 1.462 419 I CB 0.177 38.130 38.000 -0.078 0.000 1.092 419 I HN 0.212 nan 8.210 nan 0.000 0.442 420 Q N 0.592 120.184 119.800 -0.347 0.000 2.360 420 Q HA -0.086 2.819 4.340 -2.390 0.000 0.202 420 Q C 1.590 177.073 176.000 -0.862 0.000 0.915 420 Q CA 0.239 55.832 55.803 -0.349 0.000 0.943 420 Q CB -0.218 28.504 28.738 -0.027 0.000 1.064 420 Q HN 0.765 nan 8.270 nan 0.000 0.511 421 W N 1.488 121.979 121.300 -1.348 0.000 2.290 421 W HA -0.286 2.939 4.660 -2.391 0.000 0.311 421 W C 1.392 177.513 176.519 -0.663 0.000 1.238 421 W CA 1.767 58.168 57.345 -1.573 0.000 1.255 421 W CB -1.362 27.434 29.460 -1.107 0.000 1.145 421 W HN 0.195 nan 8.180 nan 0.000 0.506 422 S N 0.889 115.650 115.700 -1.565 0.000 2.461 422 S HA -0.029 3.007 4.470 -2.390 0.000 0.228 422 S C 1.000 175.288 174.600 -0.521 0.000 1.005 422 S CA 0.530 57.962 58.200 -1.281 0.000 0.942 422 S CB -0.518 61.783 63.200 -1.498 0.000 0.776 422 S HN 0.288 nan 8.310 nan 0.000 0.514 423 K N 1.534 121.719 120.400 -0.359 0.000 2.333 423 K HA 0.407 3.293 4.320 -2.390 0.000 0.241 423 K C -1.172 175.488 176.600 0.100 0.000 1.193 423 K CA -0.267 55.962 56.287 -0.097 0.000 1.142 423 K CB 0.210 32.692 32.500 -0.030 0.000 1.731 423 K HN 0.263 nan 8.250 nan 0.000 0.344 424 L N 1.377 122.653 121.223 0.089 0.000 2.381 424 L HA 0.274 3.180 4.340 -2.390 0.000 0.274 424 L C -1.042 175.817 176.870 -0.018 0.000 0.988 424 L CA -0.607 54.329 54.840 0.160 0.000 0.824 424 L CB 1.909 44.148 42.059 0.300 0.000 1.263 424 L HN 0.205 nan 8.230 nan 0.000 0.410 425 Q N 3.289 123.030 119.800 -0.099 0.000 2.322 425 Q HA 0.532 3.438 4.340 -2.390 0.000 0.256 425 Q C -1.563 174.090 176.000 -0.578 0.000 0.960 425 Q CA -0.216 55.368 55.803 -0.366 0.000 0.934 425 Q CB 1.221 29.695 28.738 -0.441 0.000 1.200 425 Q HN 0.546 nan 8.270 nan 0.000 0.435 426 V N 5.803 125.391 119.914 -0.542 0.000 2.370 426 V HA 0.429 3.115 4.120 -2.390 0.000 0.279 426 V C -0.686 175.049 176.094 -0.598 0.000 1.029 426 V CA -0.546 61.479 62.300 -0.458 0.000 0.870 426 V CB 0.464 32.146 31.823 -0.235 0.000 0.984 426 V HN 0.627 nan 8.190 nan 0.000 0.451 427 F N 2.508 122.338 119.950 -0.199 0.000 2.361 427 F HA 0.370 3.467 4.527 -2.383 0.000 0.364 427 F C 0.466 176.097 175.800 -0.282 0.000 1.117 427 F CA -1.162 56.711 58.000 -0.211 0.000 1.071 427 F CB 1.080 39.968 39.000 -0.187 0.000 1.188 427 F HN 0.428 nan 8.300 nan 0.000 0.464 428 D N 3.157 123.514 120.400 -0.071 0.000 2.344 428 D HA 0.310 3.516 4.640 -2.390 0.000 0.253 428 D C 0.335 176.431 176.300 -0.341 0.000 1.255 428 D CA 0.264 54.149 54.000 -0.192 0.000 0.894 428 D CB 1.161 41.898 40.800 -0.105 0.000 1.067 428 D HN 0.637 nan 8.370 nan 0.000 0.492 429 A N 4.648 127.066 122.820 -0.670 0.000 2.574 429 A HA 0.130 3.016 4.320 -2.390 0.000 0.283 429 A C 1.705 178.924 177.584 -0.609 0.000 1.270 429 A CA -0.345 50.976 52.037 -1.192 0.000 0.945 429 A CB 0.058 17.773 19.000 -2.143 0.000 1.127 429 A HN 0.539 nan 8.150 nan 0.000 0.522 430 R N 0.661 120.964 120.500 -0.328 0.000 2.293 430 R HA -0.106 2.800 4.340 -2.390 0.000 0.219 430 R C 0.670 176.920 176.300 -0.083 0.000 1.091 430 R CA 1.291 57.290 56.100 -0.169 0.000 1.004 430 R CB 0.018 30.273 30.300 -0.075 0.000 0.865 430 R HN 0.686 nan 8.270 nan 0.000 0.469 431 D N -0.927 119.457 120.400 -0.028 0.000 2.349 431 D HA -0.046 3.160 4.640 -2.390 0.000 0.214 431 D C 0.499 176.887 176.300 0.146 0.000 1.063 431 D CA -0.297 53.745 54.000 0.069 0.000 0.847 431 D CB -0.542 40.318 40.800 0.100 0.000 0.933 431 D HN -0.014 nan 8.370 nan 0.000 0.513 432 C N 1.104 120.500 119.300 0.160 0.000 2.703 432 C HA 0.411 3.436 4.460 -2.390 0.000 0.411 432 C C 1.841 177.021 174.990 0.316 0.000 1.290 432 C CA 1.037 60.244 59.018 0.314 0.000 2.054 432 C CB 0.203 28.200 27.740 0.428 0.000 2.732 432 C HN 0.605 nan 8.230 nan 0.000 0.650 433 T N -0.702 114.075 114.554 0.371 0.000 3.073 433 T HA 0.247 3.162 4.350 -2.390 0.000 0.264 433 T C 0.181 175.061 174.700 0.300 0.000 0.893 433 T CA 0.611 62.936 62.100 0.375 0.000 0.863 433 T CB -0.263 68.747 68.868 0.236 0.000 1.247 433 T HN 0.934 nan 8.240 nan 0.000 0.546 434 T N -1.411 113.309 114.554 0.277 0.000 2.887 434 T HA 0.822 3.738 4.350 -2.390 0.000 0.292 434 T C 1.408 176.217 174.700 0.181 0.000 1.087 434 T CA -0.190 62.028 62.100 0.197 0.000 1.009 434 T CB 1.501 70.487 68.868 0.197 0.000 1.203 434 T HN 0.143 nan 8.240 nan 0.000 0.518 435 A N -0.018 122.887 122.820 0.142 0.000 1.969 435 A HA -0.016 2.870 4.320 -2.390 0.000 0.218 435 A C 1.961 179.535 177.584 -0.017 0.000 1.169 435 A CA 1.648 53.734 52.037 0.082 0.000 0.635 435 A CB -1.358 17.737 19.000 0.159 0.000 0.810 435 A HN 0.992 nan 8.150 nan 0.000 0.445 436 H N -0.725 118.419 119.070 0.123 0.000 2.389 436 H HA 0.020 5.067 4.556 0.818 0.000 0.299 436 H C 2.384 177.730 175.328 0.029 0.000 1.081 436 H CA 1.511 57.596 56.048 0.062 0.000 1.345 436 H CB -0.297 29.578 29.762 0.188 0.000 1.393 436 H HN 0.469 nan 8.280 nan 0.000 0.520 437 G N 0.076 109.005 108.800 0.214 0.000 2.421 437 G HA2 -0.276 2.250 3.960 -2.390 0.000 0.216 437 G HA3 -0.276 2.250 3.960 -2.390 0.000 0.216 437 G C 1.636 176.688 174.900 0.253 0.000 1.171 437 G CA 1.013 46.240 45.100 0.211 0.000 0.775 437 G HN 0.288 nan 8.290 nan 0.000 0.543 438 M N -0.519 119.185 119.600 0.173 0.000 2.108 438 M HA 0.016 3.061 4.480 -2.390 0.000 0.261 438 M C 2.296 178.611 176.300 0.025 0.000 1.066 438 M CA 1.331 56.662 55.300 0.051 0.000 1.107 438 M CB -0.383 32.015 32.600 -0.337 0.000 1.356 438 M HN 0.314 nan 8.290 nan 0.000 0.406 439 F N 1.160 120.887 119.950 -0.372 0.000 2.134 439 F HA -0.279 2.895 4.527 -2.256 0.000 0.299 439 F C 2.109 177.784 175.800 -0.208 0.000 1.097 439 F CA 1.918 59.617 58.000 -0.502 0.000 1.264 439 F CB -0.250 38.044 39.000 -1.178 0.000 1.001 439 F HN 0.172 nan 8.300 nan 0.000 0.479 440 N N -0.338 118.233 118.700 -0.216 0.000 2.058 440 N HA -0.259 3.047 4.740 -2.390 0.000 0.191 440 N C 1.840 177.200 175.510 -0.251 0.000 1.037 440 N CA 2.119 55.005 53.050 -0.273 0.000 0.848 440 N CB -0.822 37.574 38.487 -0.152 0.000 1.021 440 N HN 0.486 nan 8.380 nan 0.000 0.422 441 Y N 0.483 120.742 120.300 -0.068 0.000 2.165 441 Y HA -0.097 3.015 4.550 -2.396 0.000 0.286 441 Y C 2.246 178.101 175.900 -0.076 0.000 1.155 441 Y CA 1.191 59.264 58.100 -0.046 0.000 1.164 441 Y CB -0.101 38.439 38.460 0.133 0.000 0.978 441 Y HN 0.125 nan 8.280 nan 0.000 0.513 442 I N -1.400 119.240 120.570 0.117 0.000 2.179 442 I HA -0.379 2.357 4.170 -2.390 0.000 0.242 442 I C 2.372 178.405 176.117 -0.140 0.000 1.088 442 I CA 1.089 62.383 61.300 -0.010 0.000 1.357 442 I CB -0.592 37.371 38.000 -0.062 0.000 1.051 442 I HN 0.332 nan 8.210 nan 0.000 0.409 443 C N 0.960 120.047 119.300 -0.355 0.000 2.413 443 C HA -0.171 2.855 4.460 -2.390 0.000 0.276 443 C C 2.623 177.505 174.990 -0.180 0.000 1.236 443 C CA 1.019 59.826 59.018 -0.351 0.000 1.735 443 C CB -1.491 25.903 27.740 -0.576 0.000 2.031 443 C HN 0.562 nan 8.230 nan 0.000 0.474 444 N N -0.196 118.388 118.700 -0.192 0.000 2.166 444 N HA -0.142 3.164 4.740 -2.390 0.000 0.186 444 N C 1.419 176.848 175.510 -0.136 0.000 1.019 444 N CA 1.494 54.435 53.050 -0.181 0.000 0.856 444 N CB -0.852 37.468 38.487 -0.279 0.000 0.993 444 N HN 0.774 nan 8.380 nan 0.000 0.426 445 H N 0.371 119.304 119.070 -0.229 0.000 2.293 445 H HA -0.006 3.117 4.556 -2.390 0.000 0.300 445 H C 1.859 177.220 175.328 0.055 0.000 1.082 445 H CA 1.578 57.562 56.048 -0.107 0.000 1.308 445 H CB 0.065 29.811 29.762 -0.027 0.000 1.375 445 H HN -0.103 nan 8.280 nan 0.000 0.495 446 V N 0.984 121.048 119.914 0.251 0.000 2.332 446 V HA -0.266 2.420 4.120 -2.390 0.000 0.248 446 V C 2.490 178.656 176.094 0.120 0.000 1.055 446 V CA 2.291 64.691 62.300 0.166 0.000 1.038 446 V CB -0.533 31.305 31.823 0.026 0.000 0.651 446 V HN 0.436 nan 8.190 nan 0.000 0.450 447 K N -0.976 119.465 120.400 0.069 0.000 2.057 447 K HA -0.222 2.664 4.320 -2.390 0.000 0.206 447 K C 2.256 178.899 176.600 0.072 0.000 1.050 447 K CA 1.744 58.059 56.287 0.046 0.000 0.935 447 K CB -0.315 32.191 32.500 0.011 0.000 0.715 447 K HN 0.535 nan 8.250 nan 0.000 0.439 448 Y N 0.608 120.913 120.300 0.008 0.000 2.200 448 Y HA -0.139 2.976 4.550 -2.392 0.000 0.290 448 Y C 1.929 177.880 175.900 0.085 0.000 1.137 448 Y CA 1.640 59.770 58.100 0.049 0.000 1.163 448 Y CB -0.292 38.218 38.460 0.082 0.000 0.988 448 Y HN 0.143 nan 8.280 nan 0.000 0.518 449 A N -0.801 122.126 122.820 0.178 0.000 1.897 449 A HA -0.104 2.782 4.320 -2.390 0.000 0.215 449 A C 2.195 179.820 177.584 0.069 0.000 1.181 449 A CA 1.989 54.109 52.037 0.139 0.000 0.620 449 A CB -1.229 17.934 19.000 0.271 0.000 0.821 449 A HN 0.485 nan 8.150 nan 0.000 0.443 450 T N -0.309 114.289 114.554 0.074 0.000 2.737 450 T HA -0.134 2.782 4.350 -2.390 0.000 0.265 450 T C 1.051 175.750 174.700 -0.002 0.000 1.038 450 T CA 1.149 63.285 62.100 0.059 0.000 1.144 450 T CB -0.539 68.362 68.868 0.054 0.000 0.866 450 T HN 0.750 nan 8.240 nan 0.000 0.434 451 N N 0.994 119.665 118.700 -0.050 0.000 2.716 451 N HA -0.260 3.045 4.740 -2.390 0.000 0.250 451 N C -0.902 174.575 175.510 -0.055 0.000 1.033 451 N CA 0.414 53.409 53.050 -0.092 0.000 0.727 451 N CB -0.817 37.570 38.487 -0.166 0.000 0.950 451 N HN 0.481 nan 8.380 nan 0.000 0.541 452 K N -2.053 118.329 120.400 -0.031 0.000 3.096 452 K HA -0.247 2.639 4.320 -2.390 0.000 0.266 452 K C 1.019 177.599 176.600 -0.034 0.000 1.043 452 K CA 0.804 57.074 56.287 -0.029 0.000 0.758 452 K CB -1.848 30.632 32.500 -0.032 0.000 1.260 452 K HN 0.841 nan 8.250 nan 0.000 0.481 453 G N 0.558 109.344 108.800 -0.023 0.000 2.336 453 G HA2 -0.382 2.143 3.960 -2.390 0.000 0.233 453 G HA3 -0.382 2.143 3.960 -2.390 0.000 0.233 453 G C 0.002 174.884 174.900 -0.030 0.000 1.053 453 G CA 0.279 45.362 45.100 -0.027 0.000 0.625 453 G HN 0.541 nan 8.290 nan 0.000 0.511 454 N N 1.520 120.190 118.700 -0.050 0.000 2.968 454 N HA 0.443 3.749 4.740 -2.390 0.000 0.271 454 N C 0.769 176.242 175.510 -0.062 0.000 1.174 454 N CA -0.493 52.510 53.050 -0.079 0.000 1.096 454 N CB -0.237 38.200 38.487 -0.084 0.000 1.403 454 N HN 0.422 nan 8.380 nan 0.000 0.522 455 L N 1.836 123.051 121.223 -0.013 0.000 2.529 455 L HA 0.086 2.992 4.340 -2.390 0.000 0.287 455 L C 0.580 177.543 176.870 0.155 0.000 1.241 455 L CA 0.453 55.357 54.840 0.107 0.000 0.857 455 L CB 0.243 42.471 42.059 0.282 0.000 1.113 455 L HN 0.389 nan 8.230 nan 0.000 0.504 456 R N 1.177 121.796 120.500 0.200 0.000 2.538 456 R HA 0.313 3.219 4.340 -2.390 0.000 0.292 456 R C -0.887 175.587 176.300 0.291 0.000 1.008 456 R CA -0.610 55.636 56.100 0.243 0.000 0.896 456 R CB 2.087 32.387 30.300 -0.000 0.000 1.187 456 R HN 0.585 nan 8.270 nan 0.000 0.440 457 S N 1.476 117.363 115.700 0.311 0.000 2.560 457 S HA 0.453 3.489 4.470 -2.390 0.000 0.284 457 S C -0.149 174.517 174.600 0.109 0.000 1.327 457 S CA -0.023 58.249 58.200 0.120 0.000 1.055 457 S CB 1.128 64.364 63.200 0.061 0.000 0.868 457 S HN 0.708 nan 8.310 nan 0.000 0.506 458 A N 2.181 125.020 122.820 0.032 0.000 2.586 458 A HA 0.819 3.705 4.320 -2.390 0.000 0.290 458 A C -1.412 176.208 177.584 0.060 0.000 1.086 458 A CA -0.679 51.325 52.037 -0.056 0.000 0.665 458 A CB 1.109 20.026 19.000 -0.139 0.000 1.279 458 A HN 0.803 nan 8.150 nan 0.000 0.423 459 I N 0.186 120.786 120.570 0.049 0.000 2.722 459 I HA 0.619 3.355 4.170 -2.390 0.000 0.292 459 I C -1.326 174.921 176.117 0.217 0.000 1.267 459 I CA -0.079 61.378 61.300 0.262 0.000 1.036 459 I CB 2.381 40.476 38.000 0.158 0.000 1.281 459 I HN 0.621 nan 8.210 nan 0.000 0.423 460 T N 7.859 122.579 114.554 0.276 0.000 2.786 460 T HA 0.573 3.489 4.350 -2.390 0.000 0.283 460 T C -0.389 174.154 174.700 -0.262 0.000 0.992 460 T CA -0.249 61.864 62.100 0.021 0.000 0.954 460 T CB 0.991 69.897 68.868 0.064 0.000 0.934 460 T HN 0.303 nan 8.240 nan 0.000 0.440 461 I N 4.147 124.452 120.570 -0.441 0.000 2.328 461 I HA 0.400 3.135 4.170 -2.390 0.000 0.287 461 I C -0.377 175.398 176.117 -0.571 0.000 1.012 461 I CA -0.659 60.389 61.300 -0.420 0.000 1.195 461 I CB 0.583 38.313 38.000 -0.450 0.000 1.350 461 I HN 0.469 nan 8.210 nan 0.000 0.464 462 F N 6.546 126.397 119.950 -0.165 0.000 2.352 462 F HA 0.406 3.504 4.527 -2.380 0.000 0.304 462 F C -1.824 173.813 175.800 -0.271 0.000 1.215 462 F CA -2.189 55.624 58.000 -0.312 0.000 1.121 462 F CB -0.219 38.592 39.000 -0.315 0.000 1.329 462 F HN 0.229 nan 8.300 nan 0.000 0.528 463 P HA -0.031 nan 4.420 nan 0.000 0.264 463 P C -1.072 176.183 177.300 -0.076 0.000 1.183 463 P CA -0.018 62.905 63.100 -0.295 0.000 0.763 463 P CB 0.152 31.525 31.700 -0.544 0.000 0.807 464 Q N 3.209 122.942 119.800 -0.112 0.000 2.454 464 Q HA 0.118 3.024 4.340 -2.390 0.000 0.247 464 Q C 0.151 176.034 176.000 -0.195 0.000 1.028 464 Q CA -0.562 54.969 55.803 -0.454 0.000 0.910 464 Q CB 0.753 28.899 28.738 -0.986 0.000 1.276 464 Q HN 0.325 nan 8.270 nan 0.000 0.489 465 R N 0.607 120.991 120.500 -0.193 0.000 2.623 465 R HA 0.001 2.907 4.340 -2.390 0.000 0.271 465 R C 0.221 176.483 176.300 -0.064 0.000 1.043 465 R CA 1.069 57.137 56.100 -0.054 0.000 1.083 465 R CB 0.522 30.791 30.300 -0.051 0.000 0.974 465 R HN 0.987 nan 8.270 nan 0.000 0.436 466 T N -0.893 113.663 114.554 0.002 0.000 3.397 466 T HA -0.000 2.916 4.350 -2.390 0.000 0.233 466 T C 0.878 175.578 174.700 -0.000 0.000 0.969 466 T CA 0.289 62.379 62.100 -0.016 0.000 1.316 466 T CB -0.072 68.779 68.868 -0.029 0.000 1.175 466 T HN 0.737 nan 8.240 nan 0.000 0.381 467 D N 0.784 121.204 120.400 0.033 0.000 2.431 467 D HA 0.268 3.474 4.640 -2.390 0.000 0.213 467 D C 1.626 177.977 176.300 0.086 0.000 1.130 467 D CA 0.647 54.679 54.000 0.054 0.000 0.834 467 D CB 0.026 40.863 40.800 0.062 0.000 0.985 467 D HN 0.810 nan 8.370 nan 0.000 0.504 468 G N 1.678 110.532 108.800 0.089 0.000 2.284 468 G HA2 -0.391 2.135 3.960 -2.390 0.000 0.261 468 G HA3 -0.391 2.135 3.960 -2.390 0.000 0.261 468 G C 1.175 176.130 174.900 0.093 0.000 0.997 468 G CA 0.630 45.776 45.100 0.076 0.000 0.621 468 G HN 0.453 nan 8.290 nan 0.000 0.534 469 K N -0.346 120.145 120.400 0.151 0.000 2.379 469 K HA 0.169 3.055 4.320 -2.390 0.000 0.194 469 K C 0.415 176.981 176.600 -0.057 0.000 1.031 469 K CA 0.560 56.891 56.287 0.074 0.000 1.037 469 K CB 0.220 32.765 32.500 0.075 0.000 0.824 469 K HN 0.549 nan 8.250 nan 0.000 0.516 470 H N 0.531 119.608 119.070 0.012 0.000 2.500 470 H HA 0.225 3.346 4.556 -2.391 0.000 0.243 470 H C -1.308 174.017 175.328 -0.005 0.000 1.318 470 H CA -0.856 55.180 56.048 -0.019 0.000 1.077 470 H CB -0.012 29.756 29.762 0.009 0.000 1.748 470 H HN -0.040 nan 8.280 nan 0.000 0.556 471 D N 0.355 120.798 120.400 0.071 0.000 2.264 471 D HA 0.156 3.362 4.640 -2.390 0.000 0.250 471 D C -0.201 176.128 176.300 0.048 0.000 1.113 471 D CA -0.198 53.870 54.000 0.114 0.000 0.871 471 D CB 0.674 41.526 40.800 0.086 0.000 1.167 471 D HN 0.120 nan 8.370 nan 0.000 0.447 472 F N 2.529 122.510 119.950 0.052 0.000 2.396 472 F HA 0.446 3.534 4.527 -2.399 0.000 0.343 472 F C 0.931 176.745 175.800 0.024 0.000 1.104 472 F CA -0.161 57.852 58.000 0.022 0.000 1.161 472 F CB 0.735 39.758 39.000 0.039 0.000 1.146 472 F HN -0.098 nan 8.300 nan 0.000 0.522 473 R N 1.641 122.236 120.500 0.158 0.000 2.668 473 R HA 0.520 3.426 4.340 -2.390 0.000 0.272 473 R C -1.820 174.591 176.300 0.185 0.000 1.019 473 R CA -0.939 55.252 56.100 0.151 0.000 0.894 473 R CB 2.056 32.433 30.300 0.129 0.000 1.228 473 R HN 0.355 nan 8.270 nan 0.000 0.460 474 V N 2.920 122.922 119.914 0.145 0.000 2.313 474 V HA 0.166 2.852 4.120 -2.390 0.000 0.278 474 V C 0.314 176.546 176.094 0.230 0.000 1.017 474 V CA -0.543 61.843 62.300 0.143 0.000 0.823 474 V CB 1.136 32.972 31.823 0.021 0.000 1.010 474 V HN 0.735 nan 8.190 nan 0.000 0.443 475 W N 2.366 123.688 121.300 0.035 0.000 2.421 475 W HA -0.033 3.208 4.660 -2.365 0.000 0.270 475 W C 1.030 177.520 176.519 -0.047 0.000 1.233 475 W CA -0.148 57.293 57.345 0.160 0.000 1.226 475 W CB -0.767 28.955 29.460 0.437 0.000 1.121 475 W HN 0.515 nan 8.180 nan 0.000 0.579 476 N N -0.248 118.435 118.700 -0.028 0.000 2.482 476 N HA 0.030 3.336 4.740 -2.390 0.000 0.260 476 N C 1.368 176.658 175.510 -0.367 0.000 1.236 476 N CA 0.829 53.547 53.050 -0.552 0.000 0.938 476 N CB 0.716 39.051 38.487 -0.255 0.000 1.128 476 N HN -0.120 nan 8.380 nan 0.000 0.448 477 S N 0.306 115.763 115.700 -0.404 0.000 2.425 477 S HA 0.017 3.053 4.470 -2.390 0.000 0.225 477 S C 0.271 174.737 174.600 -0.224 0.000 1.024 477 S CA 0.543 58.599 58.200 -0.240 0.000 0.951 477 S CB 0.070 63.172 63.200 -0.164 0.000 0.796 477 S HN 0.639 nan 8.310 nan 0.000 0.498 478 Q N -0.530 119.128 119.800 -0.236 0.000 2.389 478 Q HA 0.519 3.425 4.340 -2.390 0.000 0.277 478 Q C 0.185 176.031 176.000 -0.257 0.000 1.082 478 Q CA -0.501 55.161 55.803 -0.235 0.000 0.810 478 Q CB 2.098 30.737 28.738 -0.165 0.000 1.374 478 Q HN 0.108 nan 8.270 nan 0.000 0.422 479 L N 0.745 121.812 121.223 -0.260 0.000 2.079 479 L HA -0.033 2.873 4.340 -2.390 0.000 0.210 479 L C 0.527 177.233 176.870 -0.274 0.000 1.081 479 L CA 1.368 56.071 54.840 -0.229 0.000 0.752 479 L CB -0.116 41.808 42.059 -0.225 0.000 0.896 479 L HN 0.496 nan 8.230 nan 0.000 0.433 480 I N 0.004 120.319 120.570 -0.424 0.000 2.439 480 I HA 0.356 3.092 4.170 -2.390 0.000 0.285 480 I C -0.414 175.081 176.117 -1.036 0.000 1.021 480 I CA -0.313 60.578 61.300 -0.681 0.000 1.091 480 I CB 1.400 38.925 38.000 -0.791 0.000 1.242 480 I HN 0.072 nan 8.210 nan 0.000 0.439 481 R N 4.505 124.575 120.500 -0.718 0.000 2.710 481 R HA 0.480 3.386 4.340 -2.390 0.000 0.270 481 R C -1.603 174.494 176.300 -0.338 0.000 1.021 481 R CA -1.051 54.740 56.100 -0.514 0.000 0.889 481 R CB 2.450 32.649 30.300 -0.168 0.000 1.243 481 R HN 0.375 nan 8.270 nan 0.000 0.464 482 Y N 0.314 120.651 120.300 0.062 0.000 2.307 482 Y HA 0.435 3.551 4.550 -2.390 0.000 0.324 482 Y C 0.988 176.937 175.900 0.082 0.000 1.238 482 Y CA -0.694 57.477 58.100 0.118 0.000 1.280 482 Y CB 1.128 39.724 38.460 0.225 0.000 1.248 482 Y HN 0.620 nan 8.280 nan 0.000 0.508 483 A N 1.219 124.179 122.820 0.233 0.000 2.366 483 A HA 0.621 3.507 4.320 -2.390 0.000 0.249 483 A C 0.312 177.753 177.584 -0.238 0.000 1.084 483 A CA 0.213 52.220 52.037 -0.050 0.000 0.794 483 A CB -0.128 18.853 19.000 -0.032 0.000 1.034 483 A HN 0.885 nan 8.150 nan 0.000 0.491 484 G N 0.021 108.545 108.800 -0.461 0.000 2.723 484 G HA2 0.584 3.110 3.960 -2.390 0.000 0.295 484 G HA3 0.584 3.110 3.960 -2.390 0.000 0.295 484 G C -1.380 173.261 174.900 -0.431 0.000 1.464 484 G CA -0.284 44.611 45.100 -0.340 0.000 1.012 484 G HN 0.542 nan 8.290 nan 0.000 0.522 485 Y N 0.554 120.868 120.300 0.024 0.000 2.462 485 Y HA 0.494 3.608 4.550 -2.392 0.000 0.346 485 Y C 0.369 176.263 175.900 -0.010 0.000 0.976 485 Y CA -1.249 56.860 58.100 0.014 0.000 1.044 485 Y CB 2.268 40.735 38.460 0.013 0.000 1.230 485 Y HN 0.298 nan 8.280 nan 0.000 0.455 486 K N 3.484 123.969 120.400 0.141 0.000 2.284 486 K HA 0.239 3.124 4.320 -2.390 0.000 0.287 486 K C -0.371 176.265 176.600 0.060 0.000 1.081 486 K CA -0.392 55.937 56.287 0.071 0.000 0.910 486 K CB 0.702 33.228 32.500 0.043 0.000 1.088 486 K HN 0.663 nan 8.250 nan 0.000 0.478 487 Q N 2.399 122.223 119.800 0.040 0.000 2.316 487 Q HA 0.084 2.990 4.340 -2.390 0.000 0.215 487 Q C -1.515 174.486 176.000 0.002 0.000 1.020 487 Q CA -1.849 53.962 55.803 0.013 0.000 0.970 487 Q CB 0.293 29.033 28.738 0.002 0.000 1.187 487 Q HN 0.283 nan 8.270 nan 0.000 0.546 488 P HA -0.240 nan 4.420 nan 0.000 0.214 488 P C 0.815 178.111 177.300 -0.006 0.000 1.163 488 P CA 1.384 64.478 63.100 -0.010 0.000 0.889 488 P CB 0.016 31.706 31.700 -0.016 0.000 0.790 489 D N -0.958 119.438 120.400 -0.006 0.000 2.280 489 D HA -0.190 3.016 4.640 -2.390 0.000 0.206 489 D C 1.452 177.752 176.300 -0.001 0.000 0.988 489 D CA 1.811 55.809 54.000 -0.004 0.000 0.886 489 D CB -0.609 40.188 40.800 -0.005 0.000 0.914 489 D HN 0.287 nan 8.370 nan 0.000 0.473 490 G N -0.258 108.543 108.800 0.002 0.000 2.194 490 G HA2 -0.299 2.227 3.960 -2.390 0.000 0.236 490 G HA3 -0.299 2.227 3.960 -2.390 0.000 0.236 490 G C 0.565 175.469 174.900 0.006 0.000 0.987 490 G CA 0.872 45.974 45.100 0.005 0.000 0.635 490 G HN 0.705 nan 8.290 nan 0.000 0.520 491 S N -0.599 115.104 115.700 0.004 0.000 2.596 491 S HA 0.721 3.756 4.470 -2.390 0.000 0.262 491 S C 0.121 174.723 174.600 0.004 0.000 1.218 491 S CA 0.706 58.907 58.200 0.002 0.000 0.998 491 S CB 1.431 64.630 63.200 -0.002 0.000 1.060 491 S HN 0.723 nan 8.310 nan 0.000 0.552 492 T N 1.598 116.148 114.554 -0.007 0.000 2.879 492 T HA 0.455 3.371 4.350 -2.390 0.000 0.290 492 T C -1.150 173.533 174.700 -0.027 0.000 0.993 492 T CA -0.621 61.473 62.100 -0.009 0.000 0.975 492 T CB 1.218 70.067 68.868 -0.030 0.000 0.981 492 T HN 0.586 nan 8.240 nan 0.000 0.439 493 L N 3.865 125.106 121.223 0.029 0.000 2.272 493 L HA 0.673 3.579 4.340 -2.390 0.000 0.289 493 L C 0.710 177.603 176.870 0.038 0.000 1.032 493 L CA 1.040 55.905 54.840 0.041 0.000 0.810 493 L CB -0.013 42.110 42.059 0.108 0.000 1.205 493 L HN 1.014 nan 8.230 nan 0.000 0.422 494 G N 5.427 114.136 108.800 -0.151 0.000 2.475 494 G HA2 -0.222 2.304 3.960 -2.390 0.000 0.223 494 G HA3 -0.222 2.304 3.960 -2.390 0.000 0.223 494 G C -0.637 173.918 174.900 -0.575 0.000 1.201 494 G CA -0.014 44.929 45.100 -0.262 0.000 0.962 494 G HN 0.695 nan 8.290 nan 0.000 0.586 495 D N 1.628 121.881 120.400 -0.245 0.000 2.359 495 D HA 0.549 3.755 4.640 -2.390 0.000 0.230 495 D C -1.043 175.233 176.300 -0.041 0.000 1.118 495 D CA -1.904 52.036 54.000 -0.101 0.000 0.844 495 D CB 1.482 42.521 40.800 0.399 0.000 1.059 495 D HN -0.021 nan 8.370 nan 0.000 0.493 496 P HA -0.093 nan 4.420 nan 0.000 0.218 496 P C 0.930 178.255 177.300 0.042 0.000 1.148 496 P CA 1.001 64.092 63.100 -0.014 0.000 0.822 496 P CB 0.248 31.940 31.700 -0.013 0.000 0.784 497 A N -0.646 122.230 122.820 0.092 0.000 2.125 497 A HA -0.141 2.744 4.320 -2.390 0.000 0.219 497 A C 1.747 179.394 177.584 0.106 0.000 1.156 497 A CA 1.448 53.552 52.037 0.112 0.000 0.671 497 A CB -0.827 18.268 19.000 0.158 0.000 0.794 497 A HN 0.180 nan 8.150 nan 0.000 0.459 498 N N -0.914 117.844 118.700 0.096 0.000 2.171 498 N HA 0.087 3.393 4.740 -2.390 0.000 0.212 498 N C 1.281 176.821 175.510 0.051 0.000 1.184 498 N CA 0.472 53.582 53.050 0.100 0.000 0.888 498 N CB 0.531 39.093 38.487 0.125 0.000 1.038 498 N HN 0.169 nan 8.380 nan 0.000 0.517 499 V N 1.909 121.827 119.914 0.007 0.000 2.277 499 V HA -0.353 2.333 4.120 -2.390 0.000 0.255 499 V C 2.679 178.752 176.094 -0.036 0.000 1.074 499 V CA 2.151 64.432 62.300 -0.031 0.000 1.058 499 V CB -0.549 31.268 31.823 -0.010 0.000 0.656 499 V HN 0.413 nan 8.190 nan 0.000 0.449 500 Q N -0.838 118.944 119.800 -0.030 0.000 1.967 500 Q HA -0.262 2.644 4.340 -2.390 0.000 0.202 500 Q C 2.220 178.115 176.000 -0.176 0.000 0.985 500 Q CA 2.425 58.163 55.803 -0.108 0.000 0.839 500 Q CB -0.352 28.311 28.738 -0.125 0.000 0.906 500 Q HN 0.551 nan 8.270 nan 0.000 0.423 501 F N 1.503 121.252 119.950 -0.334 0.000 2.087 501 F HA -0.273 2.816 4.527 -2.397 0.000 0.299 501 F C 2.221 177.914 175.800 -0.178 0.000 1.100 501 F CA 2.246 60.045 58.000 -0.335 0.000 1.226 501 F CB -0.822 38.065 39.000 -0.187 0.000 0.983 501 F HN 0.128 nan 8.300 nan 0.000 0.479 502 T N 0.052 114.538 114.554 -0.112 0.000 2.778 502 T HA -0.250 2.666 4.350 -2.390 0.000 0.269 502 T C 1.743 176.396 174.700 -0.079 0.000 1.050 502 T CA 1.889 63.904 62.100 -0.142 0.000 1.137 502 T CB -0.360 68.407 68.868 -0.169 0.000 0.860 502 T HN 0.461 nan 8.240 nan 0.000 0.468 503 E N 0.501 120.641 120.200 -0.100 0.000 2.016 503 E HA -0.017 2.899 4.350 -2.390 0.000 0.190 503 E C 2.266 178.803 176.600 -0.105 0.000 0.985 503 E CA 0.918 57.282 56.400 -0.059 0.000 0.802 503 E CB -0.263 29.396 29.700 -0.068 0.000 0.762 503 E HN 0.456 nan 8.360 nan 0.000 0.448 504 I N 1.121 121.569 120.570 -0.202 0.000 2.236 504 I HA -0.369 2.367 4.170 -2.390 0.000 0.249 504 I C 2.434 178.453 176.117 -0.164 0.000 1.102 504 I CA 0.735 61.937 61.300 -0.163 0.000 1.365 504 I CB -0.450 37.450 38.000 -0.166 0.000 1.051 504 I HN 0.276 nan 8.210 nan 0.000 0.420 505 C N 0.694 119.814 119.300 -0.301 0.000 2.446 505 C HA -0.106 2.920 4.460 -2.390 0.000 0.277 505 C C 2.739 177.772 174.990 0.073 0.000 1.275 505 C CA 0.520 59.413 59.018 -0.209 0.000 1.727 505 C CB -0.743 26.770 27.740 -0.380 0.000 2.010 505 C HN 0.442 nan 8.230 nan 0.000 0.486 506 I N 0.442 121.089 120.570 0.129 0.000 2.252 506 I HA -0.228 2.508 4.170 -2.390 0.000 0.245 506 I C 2.665 178.799 176.117 0.029 0.000 1.102 506 I CA 1.408 62.779 61.300 0.118 0.000 1.385 506 I CB -0.696 37.362 38.000 0.098 0.000 1.064 506 I HN 0.442 nan 8.210 nan 0.000 0.414 507 Q N 0.626 120.422 119.800 -0.007 0.000 2.541 507 Q HA -0.232 2.674 4.340 -2.390 0.000 0.215 507 Q C 1.806 177.788 176.000 -0.030 0.000 0.977 507 Q CA 1.056 56.837 55.803 -0.038 0.000 0.934 507 Q CB 0.216 28.915 28.738 -0.065 0.000 0.988 507 Q HN 0.446 nan 8.270 nan 0.000 0.521 508 Q N -1.987 117.812 119.800 -0.002 0.000 2.391 508 Q HA 0.185 3.091 4.340 -2.390 0.000 0.243 508 Q C 0.791 176.793 176.000 0.003 0.000 0.874 508 Q CA 1.029 56.839 55.803 0.011 0.000 0.950 508 Q CB 1.143 29.878 28.738 -0.003 0.000 1.103 508 Q HN 0.393 nan 8.270 nan 0.000 0.544 509 G N -1.230 107.584 108.800 0.023 0.000 2.935 509 G HA2 -0.184 2.341 3.960 -2.390 0.000 0.213 509 G HA3 -0.184 2.341 3.960 -2.390 0.000 0.213 509 G C -0.762 174.171 174.900 0.055 0.000 0.984 509 G CA -0.385 44.723 45.100 0.013 0.000 0.790 509 G HN 0.194 nan 8.290 nan 0.000 0.538 510 W N 3.862 125.106 121.300 -0.093 0.000 2.295 510 W HA 0.516 3.737 4.660 -2.397 0.000 0.335 510 W C 0.359 176.853 176.519 -0.041 0.000 1.351 510 W CA 0.032 57.331 57.345 -0.075 0.000 1.273 510 W CB 0.539 29.947 29.460 -0.086 0.000 1.214 510 W HN -0.002 nan 8.180 nan 0.000 0.563 511 K N 6.605 126.623 120.400 -0.637 0.000 2.206 511 K HA 0.430 3.316 4.320 -2.390 0.000 0.268 511 K C 0.151 176.091 176.600 -1.100 0.000 1.111 511 K CA -0.427 55.482 56.287 -0.631 0.000 0.955 511 K CB 0.112 32.398 32.500 -0.357 0.000 1.406 511 K HN 0.492 nan 8.250 nan 0.000 0.427 512 A N 3.826 125.981 122.820 -1.108 0.000 2.524 512 A HA 0.133 3.019 4.320 -2.390 0.000 0.250 512 A C -1.590 175.663 177.584 -0.552 0.000 1.078 512 A CA -0.917 50.470 52.037 -1.083 0.000 0.761 512 A CB 0.024 18.843 19.000 -0.301 0.000 1.012 512 A HN 0.465 nan 8.150 nan 0.000 0.500 513 P HA 0.006 nan 4.420 nan 0.000 0.241 513 P C -0.131 177.033 177.300 -0.227 0.000 1.191 513 P CA -0.100 62.884 63.100 -0.194 0.000 0.771 513 P CB 0.193 31.875 31.700 -0.030 0.000 0.929 514 R N -0.844 119.381 120.500 -0.457 0.000 3.205 514 R HA -0.118 2.788 4.340 -2.390 0.000 0.249 514 R C 0.461 176.614 176.300 -0.244 0.000 0.937 514 R CA 0.978 56.592 56.100 -0.812 0.000 0.641 514 R CB -2.785 27.149 30.300 -0.610 0.000 1.114 514 R HN 0.350 nan 8.270 nan 0.000 0.451 515 G N -0.832 108.014 108.800 0.077 0.000 2.600 515 G HA2 0.497 3.023 3.960 -2.390 0.000 0.303 515 G HA3 0.497 3.023 3.960 -2.390 0.000 0.303 515 G C 0.622 175.635 174.900 0.188 0.000 1.253 515 G CA -0.580 44.600 45.100 0.133 0.000 0.974 515 G HN 0.201 nan 8.290 nan 0.000 0.483 516 R N -0.869 119.689 120.500 0.096 0.000 2.115 516 R HA 0.088 2.994 4.340 -2.390 0.000 0.230 516 R C -0.004 176.074 176.300 -0.369 0.000 1.111 516 R CA 1.097 57.143 56.100 -0.090 0.000 0.976 516 R CB -0.130 30.139 30.300 -0.051 0.000 0.870 516 R HN 0.367 nan 8.270 nan 0.000 0.445 517 F N 1.173 121.143 119.950 0.033 0.000 2.564 517 F HA 0.281 3.372 4.527 -2.392 0.000 0.329 517 F C -1.104 174.726 175.800 0.051 0.000 1.458 517 F CA -1.120 56.703 58.000 -0.295 0.000 1.117 517 F CB 0.911 39.531 39.000 -0.634 0.000 1.383 517 F HN -0.204 nan 8.300 nan 0.000 0.571 518 D N 1.453 122.093 120.400 0.399 0.000 2.277 518 D HA 0.222 3.428 4.640 -2.390 0.000 0.249 518 D C 0.090 176.705 176.300 0.526 0.000 1.134 518 D CA -0.064 54.221 54.000 0.476 0.000 0.863 518 D CB 2.417 43.540 40.800 0.538 0.000 1.143 518 D HN -0.040 nan 8.370 nan 0.000 0.458 519 V N 3.840 124.008 119.914 0.423 0.000 2.446 519 V HA 0.035 2.721 4.120 -2.390 0.000 0.276 519 V C 1.077 177.216 176.094 0.076 0.000 1.030 519 V CA -0.359 62.065 62.300 0.206 0.000 1.033 519 V CB 0.128 32.028 31.823 0.129 0.000 0.993 519 V HN 0.359 nan 8.190 nan 0.000 0.477 520 L N 8.112 129.276 121.223 -0.099 0.000 2.474 520 L HA 0.305 3.211 4.340 -2.390 0.000 0.259 520 L C -1.688 174.951 176.870 -0.385 0.000 1.232 520 L CA -1.084 53.512 54.840 -0.407 0.000 0.821 520 L CB 0.692 42.626 42.059 -0.210 0.000 1.108 520 L HN 0.488 nan 8.230 nan 0.000 0.495 521 P HA 0.312 nan 4.420 nan 0.000 0.285 521 P C -1.291 175.936 177.300 -0.121 0.000 1.280 521 P CA -0.680 62.205 63.100 -0.358 0.000 0.862 521 P CB 1.336 32.684 31.700 -0.588 0.000 1.153 522 L N 1.328 122.567 121.223 0.028 0.000 2.371 522 L HA 0.359 3.265 4.340 -2.390 0.000 0.272 522 L C 0.684 177.633 176.870 0.131 0.000 1.124 522 L CA -0.510 54.408 54.840 0.130 0.000 0.816 522 L CB 0.326 42.497 42.059 0.187 0.000 1.129 522 L HN 0.238 nan 8.230 nan 0.000 0.448 523 L N 5.215 126.540 121.223 0.169 0.000 2.356 523 L HA 0.438 3.343 4.340 -2.390 0.000 0.264 523 L C -0.753 176.103 176.870 -0.024 0.000 1.029 523 L CA -0.342 54.511 54.840 0.022 0.000 0.897 523 L CB 0.747 42.861 42.059 0.092 0.000 1.256 523 L HN 0.509 nan 8.230 nan 0.000 0.444 524 L N 3.468 124.682 121.223 -0.015 0.000 2.289 524 L HA 0.460 3.366 4.340 -2.390 0.000 0.285 524 L C -0.100 176.674 176.870 -0.161 0.000 1.049 524 L CA -0.270 54.540 54.840 -0.049 0.000 0.804 524 L CB 1.553 43.593 42.059 -0.031 0.000 1.195 524 L HN 0.535 nan 8.230 nan 0.000 0.428 525 Q N 2.755 122.468 119.800 -0.145 0.000 2.333 525 Q HA 0.720 3.626 4.340 -2.390 0.000 0.268 525 Q C -1.473 174.386 176.000 -0.236 0.000 1.007 525 Q CA -0.619 55.059 55.803 -0.209 0.000 0.810 525 Q CB 2.158 30.835 28.738 -0.102 0.000 1.264 525 Q HN 0.788 nan 8.270 nan 0.000 0.452 526 A N 4.137 126.741 122.820 -0.360 0.000 2.343 526 A HA 0.482 3.368 4.320 -2.390 0.000 0.316 526 A C -0.226 176.872 177.584 -0.810 0.000 1.104 526 A CA -0.530 51.050 52.037 -0.762 0.000 0.768 526 A CB 0.926 19.731 19.000 -0.326 0.000 1.213 526 A HN 0.990 nan 8.150 nan 0.000 0.456 527 N N 0.774 118.674 118.700 -1.334 0.000 2.727 527 N HA -0.223 3.083 4.740 -2.390 0.000 0.249 527 N C 1.103 176.427 175.510 -0.310 0.000 1.048 527 N CA 2.184 54.909 53.050 -0.543 0.000 0.714 527 N CB -0.921 37.431 38.487 -0.225 0.000 0.959 527 N HN 2.133 nan 8.380 nan 0.000 0.544 528 G N -1.258 107.369 108.800 -0.287 0.000 2.228 528 G HA2 -0.385 2.141 3.960 -2.390 0.000 0.270 528 G HA3 -0.385 2.141 3.960 -2.390 0.000 0.270 528 G C 0.439 175.281 174.900 -0.097 0.000 0.976 528 G CA 0.695 45.700 45.100 -0.158 0.000 0.636 528 G HN 0.572 nan 8.290 nan 0.000 0.542 529 N N 1.306 119.897 118.700 -0.181 0.000 2.326 529 N HA 0.276 3.582 4.740 -2.390 0.000 0.239 529 N C -0.006 175.385 175.510 -0.198 0.000 1.301 529 N CA 0.169 53.138 53.050 -0.135 0.000 0.909 529 N CB 0.195 38.596 38.487 -0.144 0.000 1.156 529 N HN 0.304 nan 8.380 nan 0.000 0.462 530 D N 0.900 121.195 120.400 -0.176 0.000 2.399 530 D HA 0.148 3.354 4.640 -2.390 0.000 0.241 530 D C -1.916 174.084 176.300 -0.501 0.000 1.133 530 D CA -0.499 53.267 54.000 -0.391 0.000 0.890 530 D CB 0.270 40.913 40.800 -0.261 0.000 1.201 530 D HN 0.274 nan 8.370 nan 0.000 0.432 531 P HA 0.090 nan 4.420 nan 0.000 0.271 531 P C -0.836 176.189 177.300 -0.458 0.000 1.218 531 P CA -0.149 62.510 63.100 -0.736 0.000 0.780 531 P CB 0.935 31.789 31.700 -1.409 0.000 0.901 532 E N 1.288 121.307 120.200 -0.302 0.000 2.244 532 E HA 0.487 3.403 4.350 -2.390 0.000 0.266 532 E C -0.389 176.006 176.600 -0.342 0.000 0.914 532 E CA -1.018 55.199 56.400 -0.306 0.000 0.794 532 E CB 1.636 31.163 29.700 -0.289 0.000 1.210 532 E HN 0.372 nan 8.360 nan 0.000 0.414 533 L N 1.849 122.779 121.223 -0.488 0.000 2.399 533 L HA 0.557 3.463 4.340 -2.390 0.000 0.265 533 L C -0.826 175.554 176.870 -0.816 0.000 1.089 533 L CA -0.421 54.171 54.840 -0.415 0.000 0.802 533 L CB 0.453 42.353 42.059 -0.265 0.000 1.180 533 L HN 0.480 nan 8.230 nan 0.000 0.454 534 F N -0.215 119.573 119.950 -0.271 0.000 2.641 534 F HA 0.289 2.801 4.527 -3.358 0.000 0.308 534 F C -0.349 175.316 175.800 -0.224 0.000 1.105 534 F CA -0.647 57.096 58.000 -0.429 0.000 0.964 534 F CB 1.836 40.361 39.000 -0.792 0.000 1.294 534 F HN 0.308 nan 8.300 nan 0.000 0.442 535 Q N 3.573 123.375 119.800 0.002 0.000 2.347 535 Q HA 0.546 3.452 4.340 -2.390 0.000 0.262 535 Q C -0.861 175.302 176.000 0.272 0.000 0.980 535 Q CA -0.566 55.310 55.803 0.121 0.000 0.867 535 Q CB 1.075 29.885 28.738 0.119 0.000 1.242 535 Q HN 0.701 nan 8.270 nan 0.000 0.453 536 I N 6.568 127.305 120.570 0.278 0.000 2.668 536 I HA 0.033 2.769 4.170 -2.390 0.000 0.285 536 I C -1.916 174.319 176.117 0.196 0.000 1.168 536 I CA -1.648 59.815 61.300 0.272 0.000 1.424 536 I CB 0.319 38.389 38.000 0.116 0.000 1.377 536 I HN 0.478 nan 8.210 nan 0.000 0.560 537 P HA -0.032 nan 4.420 nan 0.000 0.256 537 P C -1.952 175.405 177.300 0.094 0.000 1.173 537 P CA -0.605 62.577 63.100 0.137 0.000 0.768 537 P CB 0.069 31.830 31.700 0.102 0.000 0.758 538 P HA -0.254 nan 4.420 nan 0.000 0.217 538 P C 1.403 178.740 177.300 0.062 0.000 1.148 538 P CA 1.431 64.580 63.100 0.082 0.000 0.834 538 P CB -0.188 31.564 31.700 0.086 0.000 0.783 539 E N -0.608 119.625 120.200 0.055 0.000 2.268 539 E HA -0.130 2.786 4.350 -2.390 0.000 0.195 539 E C 1.400 178.019 176.600 0.031 0.000 0.995 539 E CA 1.098 57.522 56.400 0.039 0.000 0.836 539 E CB -0.979 28.741 29.700 0.035 0.000 0.763 539 E HN 0.256 nan 8.360 nan 0.000 0.491 540 L N 0.962 122.204 121.223 0.033 0.000 2.558 540 L HA 0.059 2.964 4.340 -2.390 0.000 0.225 540 L C 0.629 177.513 176.870 0.023 0.000 1.128 540 L CA 0.403 55.256 54.840 0.021 0.000 0.868 540 L CB 0.497 42.560 42.059 0.006 0.000 1.006 540 L HN -0.115 nan 8.230 nan 0.000 0.454 541 V N 1.588 121.520 119.914 0.031 0.000 2.270 541 V HA 0.201 2.887 4.120 -2.390 0.000 0.263 541 V C -0.047 176.074 176.094 0.045 0.000 1.066 541 V CA -0.792 61.526 62.300 0.030 0.000 0.857 541 V CB 0.954 32.793 31.823 0.027 0.000 1.099 541 V HN -0.001 nan 8.190 nan 0.000 0.476 542 L N 5.297 126.548 121.223 0.046 0.000 2.418 542 L HA 0.402 3.308 4.340 -2.390 0.000 0.274 542 L C 0.166 177.065 176.870 0.048 0.000 1.135 542 L CA 0.808 55.667 54.840 0.032 0.000 0.870 542 L CB 0.147 42.218 42.059 0.020 0.000 1.154 542 L HN 0.640 nan 8.230 nan 0.000 0.462 543 E N 3.403 123.617 120.200 0.023 0.000 2.277 543 E HA 0.599 3.515 4.350 -2.390 0.000 0.266 543 E C -1.435 175.127 176.600 -0.065 0.000 0.901 543 E CA -0.996 55.424 56.400 0.033 0.000 0.782 543 E CB 2.512 32.268 29.700 0.094 0.000 1.228 543 E HN 0.397 nan 8.360 nan 0.000 0.424 544 V N 3.532 123.386 119.914 -0.100 0.000 2.444 544 V HA 0.345 3.031 4.120 -2.390 0.000 0.294 544 V C -2.276 173.796 176.094 -0.038 0.000 1.022 544 V CA -1.870 60.329 62.300 -0.168 0.000 0.850 544 V CB 1.579 33.110 31.823 -0.488 0.000 0.992 544 V HN 0.561 nan 8.190 nan 0.000 0.426 545 P HA 0.311 nan 4.420 nan 0.000 0.280 545 P C -0.957 176.382 177.300 0.065 0.000 1.244 545 P CA -0.230 62.870 63.100 -0.000 0.000 0.784 545 P CB 1.238 32.935 31.700 -0.005 0.000 0.913 546 I N 4.739 125.383 120.570 0.122 0.000 2.304 546 I HA 0.304 3.039 4.170 -2.390 0.000 0.291 546 I C 1.163 177.473 176.117 0.321 0.000 1.018 546 I CA -0.334 61.112 61.300 0.243 0.000 1.260 546 I CB 0.154 38.370 38.000 0.362 0.000 1.390 546 I HN 0.423 nan 8.210 nan 0.000 0.475 547 R N 4.565 125.230 120.500 0.275 0.000 2.807 547 R HA 0.507 3.413 4.340 -2.390 0.000 0.276 547 R C -1.342 175.026 176.300 0.113 0.000 0.979 547 R CA -0.870 55.401 56.100 0.285 0.000 0.928 547 R CB 1.645 32.078 30.300 0.222 0.000 1.191 547 R HN 0.526 nan 8.270 nan 0.000 0.471 548 H N 1.554 120.517 119.070 -0.179 0.000 2.467 548 H HA 0.335 3.457 4.556 -2.390 0.000 0.331 548 H C -1.712 173.298 175.328 -0.531 0.000 1.120 548 H CA -1.689 54.038 56.048 -0.535 0.000 1.270 548 H CB 1.977 31.274 29.762 -0.775 0.000 1.466 548 H HN 0.369 nan 8.280 nan 0.000 0.504 549 P HA 0.045 nan 4.420 nan 0.000 0.242 549 P C -0.274 176.819 177.300 -0.346 0.000 1.197 549 P CA 1.028 63.534 63.100 -0.991 0.000 0.765 549 P CB 0.399 31.353 31.700 -1.244 0.000 0.936 550 K N -2.966 117.400 120.400 -0.057 0.000 2.600 550 K HA 0.202 3.088 4.320 -2.390 0.000 0.210 550 K C -0.108 176.703 176.600 0.351 0.000 1.650 550 K CA -0.062 56.272 56.287 0.079 0.000 1.024 550 K CB 0.740 33.250 32.500 0.016 0.000 1.370 550 K HN 0.054 nan 8.250 nan 0.000 0.619 551 F N 2.345 122.222 119.950 -0.121 0.000 2.311 551 F HA 0.231 3.324 4.527 -2.390 0.000 0.371 551 F C 0.426 176.018 175.800 -0.347 0.000 1.083 551 F CA -0.905 56.873 58.000 -0.371 0.000 1.113 551 F CB 1.049 39.466 39.000 -0.971 0.000 1.349 551 F HN -0.075 nan 8.300 nan 0.000 0.470 552 D N 2.716 123.167 120.400 0.085 0.000 2.350 552 D HA -0.136 3.070 4.640 -2.390 0.000 0.216 552 D C 1.852 178.221 176.300 0.115 0.000 0.968 552 D CA 0.842 54.899 54.000 0.096 0.000 0.894 552 D CB 0.127 41.005 40.800 0.130 0.000 0.909 552 D HN 0.698 nan 8.370 nan 0.000 0.520 553 W N -0.348 121.056 121.300 0.173 0.000 2.770 553 W HA 0.030 3.256 4.660 -2.390 0.000 0.256 553 W C 1.503 178.112 176.519 0.151 0.000 1.291 553 W CA -0.439 56.971 57.345 0.109 0.000 1.396 553 W CB -1.226 28.250 29.460 0.027 0.000 1.114 553 W HN -0.198 nan 8.180 nan 0.000 0.637 554 F N 3.221 122.743 119.950 -0.713 0.000 2.161 554 F HA -0.182 2.911 4.527 -2.391 0.000 0.300 554 F C 2.303 178.030 175.800 -0.121 0.000 1.089 554 F CA 2.391 60.026 58.000 -0.607 0.000 1.282 554 F CB -0.199 38.464 39.000 -0.562 0.000 1.010 554 F HN -0.231 nan 8.300 nan 0.000 0.485 555 K N -0.362 120.088 120.400 0.084 0.000 2.281 555 K HA -0.189 2.697 4.320 -2.390 0.000 0.203 555 K C 1.339 177.958 176.600 0.030 0.000 1.046 555 K CA 1.426 57.760 56.287 0.078 0.000 0.938 555 K CB -0.313 32.245 32.500 0.097 0.000 0.737 555 K HN 0.326 nan 8.250 nan 0.000 0.458 556 D N 0.539 120.972 120.400 0.055 0.000 2.363 556 D HA -0.048 3.158 4.640 -2.390 0.000 0.220 556 D C 1.263 177.579 176.300 0.025 0.000 0.994 556 D CA 0.626 54.668 54.000 0.069 0.000 0.890 556 D CB 0.214 41.095 40.800 0.136 0.000 0.906 556 D HN 0.073 nan 8.370 nan 0.000 0.530 557 L N 0.118 121.296 121.223 -0.075 0.000 2.465 557 L HA 0.094 3.000 4.340 -2.390 0.000 0.224 557 L C 1.626 178.467 176.870 -0.049 0.000 1.145 557 L CA 0.548 55.318 54.840 -0.118 0.000 0.834 557 L CB -0.873 40.954 42.059 -0.387 0.000 0.944 557 L HN 0.042 nan 8.230 nan 0.000 0.451 558 G N 0.260 109.043 108.800 -0.029 0.000 2.314 558 G HA2 -0.274 2.252 3.960 -2.390 0.000 0.292 558 G HA3 -0.274 2.252 3.960 -2.390 0.000 0.292 558 G C 0.026 174.941 174.900 0.026 0.000 1.059 558 G CA 0.216 45.332 45.100 0.026 0.000 0.982 558 G HN 0.283 nan 8.290 nan 0.000 0.505 559 L N -0.696 120.475 121.223 -0.087 0.000 2.334 559 L HA 0.881 3.787 4.340 -2.390 0.000 0.272 559 L C 0.504 177.201 176.870 -0.288 0.000 1.020 559 L CA -0.879 53.836 54.840 -0.208 0.000 0.812 559 L CB 2.022 43.961 42.059 -0.199 0.000 1.264 559 L HN 0.517 nan 8.230 nan 0.000 0.439 560 K N 0.624 120.677 120.400 -0.577 0.000 2.607 560 K HA 0.498 3.384 4.320 -2.390 0.000 0.287 560 K C -2.129 174.463 176.600 -0.013 0.000 0.996 560 K CA -1.042 55.085 56.287 -0.267 0.000 0.876 560 K CB 2.339 34.631 32.500 -0.347 0.000 1.496 560 K HN 0.602 nan 8.250 nan 0.000 0.415 561 W N 1.970 123.268 121.300 -0.004 0.000 3.137 561 W HA 0.354 3.583 4.660 -2.385 0.000 0.324 561 W C -1.352 175.258 176.519 0.152 0.000 1.253 561 W CA -0.820 56.597 57.345 0.120 0.000 1.183 561 W CB 1.669 31.062 29.460 -0.112 0.000 1.424 561 W HN 0.701 nan 8.180 nan 0.000 0.566 562 Y N 0.313 120.546 120.300 -0.112 0.000 2.301 562 Y HA 0.567 3.686 4.550 -2.384 0.000 0.328 562 Y C 0.992 177.111 175.900 0.366 0.000 1.242 562 Y CA -0.016 58.092 58.100 0.013 0.000 1.323 562 Y CB 0.307 38.641 38.460 -0.210 0.000 1.266 562 Y HN 0.423 nan 8.280 nan 0.000 0.527 563 G N 1.370 110.428 108.800 0.429 0.000 2.777 563 G HA2 0.059 2.585 3.960 -2.390 0.000 0.211 563 G HA3 0.059 2.585 3.960 -2.390 0.000 0.211 563 G C -0.403 174.868 174.900 0.618 0.000 1.149 563 G CA -0.033 45.389 45.100 0.537 0.000 0.785 563 G HN 0.523 nan 8.290 nan 0.000 0.536 564 L N 2.560 124.088 121.223 0.509 0.000 2.277 564 L HA 0.490 3.396 4.340 -2.390 0.000 0.284 564 L C -2.361 174.658 176.870 0.247 0.000 1.028 564 L CA -2.695 52.336 54.840 0.318 0.000 0.835 564 L CB 1.664 43.831 42.059 0.180 0.000 1.215 564 L HN -0.190 nan 8.230 nan 0.000 0.425 565 P HA 0.363 nan 4.420 nan 0.000 0.292 565 P C -1.434 175.775 177.300 -0.152 0.000 1.326 565 P CA -0.359 62.620 63.100 -0.202 0.000 0.787 565 P CB 1.477 32.680 31.700 -0.828 0.000 0.903 566 A N 4.459 127.184 122.820 -0.158 0.000 2.466 566 A HA 0.421 3.307 4.320 -2.390 0.000 0.291 566 A C -0.306 177.051 177.584 -0.379 0.000 1.234 566 A CA -0.662 51.225 52.037 -0.250 0.000 0.752 566 A CB 0.856 19.725 19.000 -0.218 0.000 1.153 566 A HN 0.301 nan 8.150 nan 0.000 0.458 567 V N 2.928 122.477 119.914 -0.609 0.000 2.521 567 V HA 0.285 2.971 4.120 -2.390 0.000 0.286 567 V C 1.173 176.793 176.094 -0.791 0.000 1.034 567 V CA 1.146 63.000 62.300 -0.743 0.000 1.045 567 V CB 1.024 32.210 31.823 -1.062 0.000 0.974 567 V HN 1.116 nan 8.190 nan 0.000 0.480 568 S N 1.594 117.019 115.700 -0.458 0.000 2.847 568 S HA 0.063 3.099 4.470 -2.390 0.000 0.254 568 S C 0.778 175.263 174.600 -0.191 0.000 1.039 568 S CA -0.073 57.940 58.200 -0.311 0.000 1.113 568 S CB -0.097 62.967 63.200 -0.227 0.000 1.092 568 S HN 0.800 nan 8.310 nan 0.000 0.620 569 N N 1.104 119.687 118.700 -0.196 0.000 2.187 569 N HA 0.306 3.612 4.740 -2.390 0.000 0.212 569 N C 0.063 175.537 175.510 -0.060 0.000 1.152 569 N CA -0.302 52.667 53.050 -0.134 0.000 0.872 569 N CB -0.178 38.206 38.487 -0.172 0.000 1.025 569 N HN 0.381 nan 8.380 nan 0.000 0.514 570 M N 0.194 119.789 119.600 -0.007 0.000 2.513 570 M HA 0.353 3.399 4.480 -2.390 0.000 0.291 570 M C -0.795 175.625 176.300 0.200 0.000 1.190 570 M CA -1.087 54.298 55.300 0.143 0.000 0.960 570 M CB 1.333 34.087 32.600 0.256 0.000 1.517 570 M HN 0.005 nan 8.290 nan 0.000 0.499 571 L N 2.136 123.504 121.223 0.241 0.000 2.341 571 L HA 0.573 3.479 4.340 -2.390 0.000 0.278 571 L C -1.574 175.454 176.870 0.264 0.000 1.005 571 L CA -0.741 54.232 54.840 0.221 0.000 0.818 571 L CB 1.425 43.562 42.059 0.130 0.000 1.259 571 L HN 0.566 nan 8.230 nan 0.000 0.418 572 L N 4.666 126.051 121.223 0.269 0.000 2.264 572 L HA 0.530 3.436 4.340 -2.390 0.000 0.289 572 L C -0.410 176.534 176.870 0.123 0.000 1.044 572 L CA 0.252 55.161 54.840 0.115 0.000 0.807 572 L CB 0.983 43.093 42.059 0.086 0.000 1.192 572 L HN 0.839 nan 8.230 nan 0.000 0.425 573 E N 5.952 126.130 120.200 -0.037 0.000 2.145 573 E HA 0.520 3.436 4.350 -2.390 0.000 0.270 573 E C -1.485 175.043 176.600 -0.121 0.000 0.906 573 E CA -0.519 55.864 56.400 -0.028 0.000 0.761 573 E CB 1.038 30.706 29.700 -0.053 0.000 1.116 573 E HN 0.715 nan 8.360 nan 0.000 0.408 574 I N 3.193 123.700 120.570 -0.106 0.000 2.499 574 I HA 0.313 3.049 4.170 -2.390 0.000 0.288 574 I C 0.711 176.585 176.117 -0.405 0.000 1.048 574 I CA -0.785 60.286 61.300 -0.382 0.000 1.062 574 I CB 2.091 39.844 38.000 -0.412 0.000 1.238 574 I HN 0.866 nan 8.210 nan 0.000 0.426 575 G N 4.169 112.654 108.800 -0.526 0.000 2.379 575 G HA2 -0.120 2.406 3.960 -2.390 0.000 0.297 575 G HA3 -0.120 2.406 3.960 -2.390 0.000 0.297 575 G C 1.056 176.019 174.900 0.105 0.000 1.004 575 G CA 0.910 45.973 45.100 -0.062 0.000 0.921 575 G HN 1.587 nan 8.290 nan 0.000 0.511 576 G N -1.926 106.884 108.800 0.017 0.000 2.253 576 G HA2 -0.268 2.258 3.960 -2.390 0.000 0.251 576 G HA3 -0.268 2.258 3.960 -2.390 0.000 0.251 576 G C 0.569 175.458 174.900 -0.018 0.000 0.998 576 G CA 0.539 45.662 45.100 0.039 0.000 0.621 576 G HN 1.311 nan 8.290 nan 0.000 0.524 577 L N 1.190 122.359 121.223 -0.090 0.000 2.371 577 L HA 0.509 3.415 4.340 -2.390 0.000 0.272 577 L C 0.363 177.062 176.870 -0.284 0.000 1.124 577 L CA -0.276 54.404 54.840 -0.267 0.000 0.816 577 L CB 0.839 42.629 42.059 -0.449 0.000 1.129 577 L HN 0.232 nan 8.230 nan 0.000 0.448 578 E N 3.138 123.112 120.200 -0.377 0.000 2.176 578 E HA 0.392 3.308 4.350 -2.390 0.000 0.267 578 E C -1.493 174.886 176.600 -0.368 0.000 0.893 578 E CA -0.462 55.798 56.400 -0.232 0.000 0.761 578 E CB 1.677 31.315 29.700 -0.104 0.000 1.133 578 E HN 0.267 nan 8.360 nan 0.000 0.409 579 F N 1.684 121.625 119.950 -0.016 0.000 2.359 579 F HA 0.110 3.201 4.527 -2.393 0.000 0.369 579 F C 1.438 177.281 175.800 0.071 0.000 1.084 579 F CA -0.678 57.331 58.000 0.016 0.000 1.096 579 F CB 1.287 40.282 39.000 -0.009 0.000 1.335 579 F HN 0.420 nan 8.300 nan 0.000 0.457 580 S N 1.103 116.925 115.700 0.202 0.000 2.507 580 S HA 0.193 3.229 4.470 -2.390 0.000 0.235 580 S C 0.815 175.529 174.600 0.190 0.000 0.988 580 S CA 0.364 58.664 58.200 0.166 0.000 0.944 580 S CB -0.019 63.250 63.200 0.116 0.000 0.762 580 S HN 0.507 nan 8.310 nan 0.000 0.526 581 A N 0.932 123.910 122.820 0.262 0.000 2.409 581 A HA 0.585 3.470 4.320 -2.390 0.000 0.300 581 A C -0.072 177.725 177.584 0.356 0.000 1.273 581 A CA -0.631 51.574 52.037 0.280 0.000 0.774 581 A CB 0.158 19.331 19.000 0.289 0.000 1.144 581 A HN 0.993 nan 8.150 nan 0.000 0.472 582 C N 0.670 120.126 119.300 0.260 0.000 3.327 582 C HA 0.456 3.482 4.460 -2.390 0.000 0.192 582 C C -2.715 172.377 174.990 0.170 0.000 1.603 582 C CA -1.935 57.219 59.018 0.227 0.000 1.222 582 C CB -0.315 27.590 27.740 0.275 0.000 1.981 582 C HN 0.564 nan 8.230 nan 0.000 0.563 583 P HA 0.187 nan 4.420 nan 0.000 0.261 583 P C -0.594 176.666 177.300 -0.067 0.000 1.173 583 P CA 1.191 64.188 63.100 -0.173 0.000 0.760 583 P CB 0.226 31.806 31.700 -0.201 0.000 0.783 584 F N 0.154 120.023 119.950 -0.135 0.000 2.576 584 F HA 0.762 3.857 4.527 -2.387 0.000 0.313 584 F C -0.608 175.094 175.800 -0.164 0.000 1.078 584 F CA -1.372 56.562 58.000 -0.109 0.000 0.921 584 F CB 1.590 40.413 39.000 -0.295 0.000 1.232 584 F HN 0.381 nan 8.300 nan 0.000 0.459 585 S N 0.601 116.398 115.700 0.161 0.000 2.564 585 S HA 0.972 4.008 4.470 -2.390 0.000 0.274 585 S C -0.750 173.799 174.600 -0.084 0.000 1.124 585 S CA -0.144 58.073 58.200 0.028 0.000 0.869 585 S CB 1.575 64.855 63.200 0.133 0.000 1.105 585 S HN 1.506 nan 8.310 nan 0.000 0.472 586 G N -0.019 108.678 108.800 -0.172 0.000 3.310 586 G HA2 0.746 3.272 3.960 -2.390 0.000 0.174 586 G HA3 0.746 3.272 3.960 -2.390 0.000 0.174 586 G C -1.647 173.212 174.900 -0.068 0.000 1.097 586 G CA -0.380 44.529 45.100 -0.318 0.000 0.795 586 G HN 1.156 nan 8.290 nan 0.000 0.670 587 W N -1.463 119.845 121.300 0.013 0.000 3.083 587 W HA 0.787 4.012 4.660 -2.392 0.000 0.333 587 W C -1.427 175.107 176.519 0.024 0.000 1.217 587 W CA -2.236 55.138 57.345 0.048 0.000 1.170 587 W CB 0.391 29.924 29.460 0.120 0.000 1.437 587 W HN 0.482 nan 8.180 nan 0.000 0.557 588 Y N 2.659 123.151 120.300 0.320 0.000 2.480 588 Y HA 0.157 3.273 4.550 -2.391 0.000 0.338 588 Y C 0.982 176.936 175.900 0.090 0.000 1.220 588 Y CA -0.138 58.030 58.100 0.114 0.000 1.430 588 Y CB 0.927 39.364 38.460 -0.039 0.000 1.311 588 Y HN 0.417 nan 8.280 nan 0.000 0.575 589 M N 2.824 122.565 119.600 0.235 0.000 2.238 589 M HA 0.316 3.362 4.480 -2.390 0.000 0.350 589 M C 1.154 177.452 176.300 -0.003 0.000 1.138 589 M CA -0.015 55.356 55.300 0.119 0.000 1.040 589 M CB 1.243 33.890 32.600 0.078 0.000 1.639 589 M HN 0.884 nan 8.290 nan 0.000 0.451 590 G N 1.592 110.350 108.800 -0.069 0.000 2.599 590 G HA2 -0.340 2.186 3.960 -2.390 0.000 0.219 590 G HA3 -0.340 2.186 3.960 -2.390 0.000 0.219 590 G C 1.167 175.916 174.900 -0.251 0.000 1.193 590 G CA 1.944 46.923 45.100 -0.201 0.000 0.778 590 G HN 0.897 nan 8.290 nan 0.000 0.589 591 T N -0.572 113.872 114.554 -0.184 0.000 2.760 591 T HA -0.155 2.761 4.350 -2.390 0.000 0.269 591 T C 1.937 176.476 174.700 -0.268 0.000 1.047 591 T CA 1.859 63.807 62.100 -0.252 0.000 1.139 591 T CB -0.440 68.253 68.868 -0.291 0.000 0.855 591 T HN 0.569 nan 8.240 nan 0.000 0.471 592 E N 0.877 120.944 120.200 -0.221 0.000 2.097 592 E HA -0.095 2.821 4.350 -2.390 0.000 0.196 592 E C 2.111 178.454 176.600 -0.430 0.000 1.000 592 E CA 1.656 57.934 56.400 -0.203 0.000 0.804 592 E CB -0.345 29.377 29.700 0.035 0.000 0.740 592 E HN 0.641 nan 8.360 nan 0.000 0.454 593 I N -0.045 120.100 120.570 -0.709 0.000 2.364 593 I HA -0.036 2.700 4.170 -2.390 0.000 0.241 593 I C 2.635 178.183 176.117 -0.947 0.000 1.082 593 I CA 0.816 61.404 61.300 -1.188 0.000 1.401 593 I CB -0.650 36.427 38.000 -1.539 0.000 1.126 593 I HN 0.093 nan 8.210 nan 0.000 0.429 594 G N 0.840 109.279 108.800 -0.602 0.000 2.469 594 G HA2 -0.168 2.358 3.960 -2.390 0.000 0.219 594 G HA3 -0.168 2.358 3.960 -2.390 0.000 0.219 594 G C 1.604 176.429 174.900 -0.125 0.000 1.150 594 G CA 1.318 46.269 45.100 -0.247 0.000 0.763 594 G HN 0.243 nan 8.290 nan 0.000 0.561 595 V N -0.105 119.689 119.914 -0.199 0.000 2.521 595 V HA 0.091 2.777 4.120 -2.390 0.000 0.239 595 V C 2.791 178.809 176.094 -0.126 0.000 1.053 595 V CA 0.963 63.179 62.300 -0.141 0.000 1.073 595 V CB -0.178 31.535 31.823 -0.184 0.000 0.746 595 V HN 0.125 nan 8.190 nan 0.000 0.476 596 R N 0.587 120.977 120.500 -0.183 0.000 2.052 596 R HA -0.003 2.903 4.340 -2.390 0.000 0.224 596 R C 1.965 178.199 176.300 -0.109 0.000 1.149 596 R CA 1.419 57.434 56.100 -0.141 0.000 0.962 596 R CB -1.088 29.119 30.300 -0.157 0.000 0.856 596 R HN 0.461 nan 8.270 nan 0.000 0.433 597 D N 0.197 120.444 120.400 -0.254 0.000 2.117 597 D HA -0.144 3.062 4.640 -2.390 0.000 0.197 597 D C 2.094 178.398 176.300 0.007 0.000 0.987 597 D CA 1.278 55.132 54.000 -0.243 0.000 0.829 597 D CB -0.204 40.063 40.800 -0.887 0.000 0.961 597 D HN 0.349 nan 8.370 nan 0.000 0.460 598 Y N -0.111 120.075 120.300 -0.189 0.000 2.269 598 Y HA -0.070 3.046 4.550 -2.391 0.000 0.294 598 Y C 2.525 178.462 175.900 0.062 0.000 1.120 598 Y CA 0.276 58.351 58.100 -0.041 0.000 1.159 598 Y CB 0.226 38.639 38.460 -0.079 0.000 1.024 598 Y HN 0.024 nan 8.280 nan 0.000 0.532 599 C N -0.831 118.578 119.300 0.181 0.000 2.865 599 C HA 0.112 3.138 4.460 -2.390 0.000 0.280 599 C C 0.335 175.372 174.990 0.078 0.000 1.255 599 C CA -0.707 58.382 59.018 0.119 0.000 1.705 599 C CB -0.820 26.964 27.740 0.073 0.000 2.080 599 C HN 0.260 nan 8.230 nan 0.000 0.591 600 D N 1.582 122.020 120.400 0.063 0.000 2.533 600 D HA -0.023 3.183 4.640 -2.390 0.000 0.236 600 D C 0.991 177.333 176.300 0.069 0.000 1.137 600 D CA 0.534 54.560 54.000 0.044 0.000 0.867 600 D CB 0.362 41.186 40.800 0.039 0.000 1.170 600 D HN 0.199 nan 8.370 nan 0.000 0.474 601 N N 0.784 119.512 118.700 0.047 0.000 2.061 601 N HA -0.175 3.131 4.740 -2.390 0.000 0.193 601 N C 1.227 176.770 175.510 0.055 0.000 1.030 601 N CA 1.373 54.454 53.050 0.052 0.000 0.856 601 N CB 0.109 38.617 38.487 0.036 0.000 1.023 601 N HN 0.173 nan 8.380 nan 0.000 0.424 602 S N -0.053 115.677 115.700 0.051 0.000 2.603 602 S HA 0.102 3.137 4.470 -2.390 0.000 0.229 602 S C 0.892 175.532 174.600 0.067 0.000 0.972 602 S CA 0.248 58.479 58.200 0.050 0.000 0.935 602 S CB 0.081 63.309 63.200 0.046 0.000 0.769 602 S HN 0.231 nan 8.310 nan 0.000 0.536 603 R N -0.258 120.303 120.500 0.101 0.000 2.261 603 R HA 0.320 3.225 4.340 -2.390 0.000 0.116 603 R C 0.916 177.306 176.300 0.151 0.000 1.533 603 R CA -0.303 55.897 56.100 0.168 0.000 1.423 603 R CB -1.096 29.355 30.300 0.251 0.000 1.225 603 R HN 0.181 nan 8.270 nan 0.000 0.476 604 Y N 1.529 121.919 120.300 0.150 0.000 2.509 604 Y HA -0.064 3.051 4.550 -2.392 0.000 0.293 604 Y C 0.563 176.522 175.900 0.098 0.000 1.133 604 Y CA 0.625 58.808 58.100 0.138 0.000 1.283 604 Y CB -0.629 37.966 38.460 0.226 0.000 1.001 604 Y HN 0.490 nan 8.280 nan 0.000 0.555 605 N N 0.952 119.784 118.700 0.219 0.000 2.691 605 N HA -0.234 3.072 4.740 -2.390 0.000 0.277 605 N C 0.406 176.005 175.510 0.148 0.000 1.029 605 N CA 0.785 53.925 53.050 0.150 0.000 0.798 605 N CB -1.109 37.437 38.487 0.100 0.000 0.922 605 N HN 0.637 nan 8.380 nan 0.000 0.562 606 I N -2.667 118.001 120.570 0.164 0.000 3.883 606 I HA 0.091 2.827 4.170 -2.390 0.000 0.326 606 I C 1.521 177.731 176.117 0.156 0.000 1.283 606 I CA -0.362 61.017 61.300 0.132 0.000 1.161 606 I CB -0.103 37.938 38.000 0.070 0.000 1.012 606 I HN 0.198 nan 8.210 nan 0.000 0.421 607 L N 1.102 122.436 121.223 0.184 0.000 2.013 607 L HA -0.192 2.714 4.340 -2.390 0.000 0.212 607 L C 2.792 179.864 176.870 0.336 0.000 1.073 607 L CA 1.626 56.618 54.840 0.252 0.000 0.753 607 L CB -0.642 41.542 42.059 0.208 0.000 0.890 607 L HN 0.352 nan 8.230 nan 0.000 0.432 608 E N 0.198 120.567 120.200 0.282 0.000 2.035 608 E HA -0.283 2.632 4.350 -2.390 0.000 0.204 608 E C 1.988 178.639 176.600 0.084 0.000 1.025 608 E CA 1.901 58.410 56.400 0.182 0.000 0.835 608 E CB -0.276 29.490 29.700 0.109 0.000 0.764 608 E HN 0.579 nan 8.360 nan 0.000 0.457 609 E N 0.314 120.561 120.200 0.077 0.000 2.048 609 E HA -0.198 2.718 4.350 -2.390 0.000 0.202 609 E C 2.285 178.927 176.600 0.070 0.000 1.021 609 E CA 1.683 58.108 56.400 0.043 0.000 0.825 609 E CB -0.236 29.494 29.700 0.049 0.000 0.756 609 E HN 0.045 nan 8.360 nan 0.000 0.454 610 V N 1.390 121.406 119.914 0.170 0.000 2.380 610 V HA -0.327 2.359 4.120 -2.390 0.000 0.251 610 V C 2.295 178.536 176.094 0.245 0.000 1.063 610 V CA 1.903 64.390 62.300 0.312 0.000 1.055 610 V CB -0.882 31.176 31.823 0.392 0.000 0.657 610 V HN 0.369 nan 8.190 nan 0.000 0.455 611 A N -0.279 122.659 122.820 0.197 0.000 1.873 611 A HA -0.216 2.670 4.320 -2.390 0.000 0.215 611 A C 2.304 179.844 177.584 -0.073 0.000 1.186 611 A CA 1.908 54.023 52.037 0.131 0.000 0.616 611 A CB -0.422 18.646 19.000 0.114 0.000 0.823 611 A HN 0.540 nan 8.150 nan 0.000 0.442 612 K N 0.020 120.340 120.400 -0.132 0.000 2.001 612 K HA -0.169 2.717 4.320 -2.390 0.000 0.214 612 K C 1.906 178.336 176.600 -0.284 0.000 1.050 612 K CA 1.814 57.980 56.287 -0.202 0.000 0.934 612 K CB -0.269 32.130 32.500 -0.169 0.000 0.718 612 K HN 0.382 nan 8.250 nan 0.000 0.443 613 K N 0.299 120.474 120.400 -0.375 0.000 2.442 613 K HA -0.067 2.819 4.320 -2.390 0.000 0.198 613 K C 1.812 177.832 176.600 -0.966 0.000 1.044 613 K CA 0.911 56.713 56.287 -0.809 0.000 0.948 613 K CB -0.028 31.755 32.500 -1.194 0.000 0.762 613 K HN 0.234 nan 8.250 nan 0.000 0.472 614 M N 0.254 119.586 119.600 -0.448 0.000 2.502 614 M HA -0.033 3.013 4.480 -2.390 0.000 0.243 614 M C -0.463 175.704 176.300 -0.221 0.000 1.130 614 M CA 0.196 55.348 55.300 -0.247 0.000 1.055 614 M CB -0.005 32.650 32.600 0.091 0.000 1.457 614 M HN 0.040 nan 8.290 nan 0.000 0.488 615 D N 2.338 122.591 120.400 -0.246 0.000 3.278 615 D HA -0.142 3.064 4.640 -2.390 0.000 0.233 615 D C -1.671 174.558 176.300 -0.118 0.000 1.149 615 D CA 0.480 54.364 54.000 -0.192 0.000 0.957 615 D CB -0.447 40.231 40.800 -0.203 0.000 0.913 615 D HN 0.221 nan 8.370 nan 0.000 0.409 616 L N 0.136 121.293 121.223 -0.109 0.000 2.465 616 L HA 0.640 3.546 4.340 -2.390 0.000 0.257 616 L C -0.224 176.576 176.870 -0.116 0.000 0.988 616 L CA -1.292 53.514 54.840 -0.057 0.000 0.827 616 L CB 1.143 43.223 42.059 0.036 0.000 1.397 616 L HN -0.051 nan 8.230 nan 0.000 0.410 617 D N 1.682 122.041 120.400 -0.069 0.000 2.368 617 D HA 0.208 3.414 4.640 -2.390 0.000 0.268 617 D C 0.263 176.441 176.300 -0.203 0.000 1.298 617 D CA 0.657 54.596 54.000 -0.103 0.000 0.938 617 D CB 0.538 41.324 40.800 -0.024 0.000 1.101 617 D HN 0.657 nan 8.370 nan 0.000 0.509 618 M N 3.088 122.419 119.600 -0.448 0.000 2.549 618 M HA 0.188 3.234 4.480 -2.390 0.000 0.273 618 M C 1.530 177.628 176.300 -0.337 0.000 1.213 618 M CA -0.206 54.530 55.300 -0.940 0.000 0.976 618 M CB 0.436 32.251 32.600 -1.309 0.000 1.457 618 M HN 0.291 nan 8.290 nan 0.000 0.485 619 R N 1.692 122.118 120.500 -0.124 0.000 2.075 619 R HA 0.015 2.921 4.340 -2.390 0.000 0.226 619 R C 0.452 176.799 176.300 0.077 0.000 1.114 619 R CA 0.910 56.997 56.100 -0.022 0.000 0.972 619 R CB 0.123 30.410 30.300 -0.023 0.000 0.869 619 R HN 0.329 nan 8.270 nan 0.000 0.437 620 K N 0.287 120.766 120.400 0.131 0.000 2.345 620 K HA 0.233 3.119 4.320 -2.390 0.000 0.255 620 K C 0.490 177.239 176.600 0.248 0.000 0.934 620 K CA -0.320 56.062 56.287 0.158 0.000 0.801 620 K CB 1.969 34.528 32.500 0.098 0.000 1.137 620 K HN -0.127 nan 8.250 nan 0.000 0.424 621 T N -1.379 113.289 114.554 0.190 0.000 2.803 621 T HA -0.246 2.670 4.350 -2.390 0.000 0.269 621 T C 1.909 176.642 174.700 0.054 0.000 1.052 621 T CA 1.772 63.934 62.100 0.104 0.000 1.136 621 T CB -0.520 68.365 68.868 0.028 0.000 0.864 621 T HN 0.696 nan 8.240 nan 0.000 0.467 622 S N 1.936 117.678 115.700 0.070 0.000 2.537 622 S HA -0.102 2.934 4.470 -2.390 0.000 0.240 622 S C 2.113 176.753 174.600 0.067 0.000 0.981 622 S CA 1.065 59.294 58.200 0.050 0.000 0.948 622 S CB -0.979 62.249 63.200 0.046 0.000 0.759 622 S HN 0.820 nan 8.310 nan 0.000 0.531 623 S N 1.390 117.164 115.700 0.124 0.000 2.527 623 S HA 0.248 3.284 4.470 -2.390 0.000 0.222 623 S C 0.974 175.649 174.600 0.124 0.000 0.985 623 S CA 0.267 58.555 58.200 0.146 0.000 0.921 623 S CB -0.946 62.390 63.200 0.227 0.000 0.772 623 S HN 0.667 nan 8.310 nan 0.000 0.529 624 L N 1.126 122.379 121.223 0.051 0.000 3.634 624 L HA -0.162 2.744 4.340 -2.390 0.000 0.423 624 L C 1.501 178.368 176.870 -0.005 0.000 1.253 624 L CA 0.679 55.492 54.840 -0.045 0.000 0.885 624 L CB -2.303 39.749 42.059 -0.011 0.000 1.789 624 L HN 0.757 nan 8.230 nan 0.000 0.904 625 W N -0.381 120.938 121.300 0.031 0.000 2.425 625 W HA -0.084 3.141 4.660 -2.391 0.000 0.277 625 W C 1.678 178.227 176.519 0.051 0.000 1.231 625 W CA 0.987 58.356 57.345 0.040 0.000 1.248 625 W CB -0.561 28.917 29.460 0.031 0.000 1.117 625 W HN 0.273 nan 8.180 nan 0.000 0.568 626 K N 1.207 121.172 120.400 -0.724 0.000 2.057 626 K HA -0.146 2.740 4.320 -2.390 0.000 0.206 626 K C 1.501 177.984 176.600 -0.196 0.000 1.050 626 K CA 2.302 58.218 56.287 -0.619 0.000 0.935 626 K CB -0.322 31.651 32.500 -0.877 0.000 0.715 626 K HN 0.032 nan 8.250 nan 0.000 0.439 627 D N 0.709 121.005 120.400 -0.174 0.000 2.144 627 D HA -0.154 3.052 4.640 -2.390 0.000 0.199 627 D C 2.004 178.310 176.300 0.010 0.000 0.984 627 D CA 0.954 54.911 54.000 -0.072 0.000 0.834 627 D CB 0.004 40.764 40.800 -0.065 0.000 0.955 627 D HN 0.173 nan 8.370 nan 0.000 0.465 628 Q N 0.356 120.191 119.800 0.058 0.000 2.020 628 Q HA -0.144 2.762 4.340 -2.390 0.000 0.202 628 Q C 2.388 178.485 176.000 0.161 0.000 0.982 628 Q CA 1.451 57.328 55.803 0.123 0.000 0.838 628 Q CB -0.300 28.543 28.738 0.174 0.000 0.899 628 Q HN 0.341 nan 8.270 nan 0.000 0.423 629 A N 1.291 124.235 122.820 0.207 0.000 1.851 629 A HA -0.212 2.673 4.320 -2.390 0.000 0.216 629 A C 2.151 179.847 177.584 0.187 0.000 1.195 629 A CA 1.486 53.677 52.037 0.256 0.000 0.622 629 A CB -1.021 18.171 19.000 0.320 0.000 0.831 629 A HN 0.346 nan 8.150 nan 0.000 0.444 630 L N 0.141 121.433 121.223 0.114 0.000 2.054 630 L HA -0.254 2.652 4.340 -2.390 0.000 0.220 630 L C 2.411 179.316 176.870 0.059 0.000 1.081 630 L CA 2.532 57.412 54.840 0.067 0.000 0.780 630 L CB -0.676 41.381 42.059 -0.003 0.000 0.893 630 L HN 0.224 nan 8.230 nan 0.000 0.438 631 V N -0.458 119.489 119.914 0.056 0.000 2.220 631 V HA -0.285 2.401 4.120 -2.390 0.000 0.246 631 V C 2.603 178.725 176.094 0.048 0.000 1.049 631 V CA 2.006 64.333 62.300 0.045 0.000 1.003 631 V CB -0.885 30.969 31.823 0.052 0.000 0.634 631 V HN 0.458 nan 8.190 nan 0.000 0.444 632 E N 0.120 120.372 120.200 0.085 0.000 2.065 632 E HA -0.247 2.669 4.350 -2.390 0.000 0.201 632 E C 2.132 178.755 176.600 0.039 0.000 1.016 632 E CA 1.806 58.269 56.400 0.105 0.000 0.818 632 E CB -0.594 29.159 29.700 0.089 0.000 0.749 632 E HN 0.608 nan 8.360 nan 0.000 0.453 633 I N 1.116 121.755 120.570 0.114 0.000 2.185 633 I HA -0.338 2.398 4.170 -2.390 0.000 0.246 633 I C 1.701 177.843 176.117 0.042 0.000 1.088 633 I CA 1.514 62.907 61.300 0.154 0.000 1.347 633 I CB -0.385 37.784 38.000 0.282 0.000 1.041 633 I HN 0.096 nan 8.210 nan 0.000 0.415 634 N N 0.155 118.860 118.700 0.008 0.000 2.459 634 N HA -0.040 3.266 4.740 -2.390 0.000 0.181 634 N C 1.689 177.153 175.510 -0.077 0.000 1.046 634 N CA 0.620 53.645 53.050 -0.041 0.000 0.904 634 N CB 0.118 38.575 38.487 -0.048 0.000 0.964 634 N HN 0.246 nan 8.380 nan 0.000 0.444 635 I N 0.501 120.992 120.570 -0.132 0.000 2.286 635 I HA -0.079 2.657 4.170 -2.390 0.000 0.245 635 I C 2.161 178.087 176.117 -0.318 0.000 1.104 635 I CA 0.717 61.879 61.300 -0.230 0.000 1.397 635 I CB -1.129 36.656 38.000 -0.359 0.000 1.072 635 I HN 0.109 nan 8.210 nan 0.000 0.417 636 A N 0.420 122.986 122.820 -0.424 0.000 1.969 636 A HA -0.087 2.799 4.320 -2.390 0.000 0.218 636 A C 2.522 180.074 177.584 -0.053 0.000 1.169 636 A CA 1.197 52.992 52.037 -0.403 0.000 0.635 636 A CB -0.693 17.821 19.000 -0.809 0.000 0.810 636 A HN 0.221 nan 8.150 nan 0.000 0.445 637 V N 0.035 119.939 119.914 -0.016 0.000 2.244 637 V HA -0.233 2.453 4.120 -2.390 0.000 0.244 637 V C 2.568 178.675 176.094 0.022 0.000 1.042 637 V CA 1.972 64.287 62.300 0.024 0.000 1.006 637 V CB -0.781 30.959 31.823 -0.139 0.000 0.641 637 V HN 0.580 nan 8.190 nan 0.000 0.446 638 L N -1.191 120.002 121.223 -0.049 0.000 2.013 638 L HA -0.264 2.642 4.340 -2.390 0.000 0.212 638 L C 2.493 179.409 176.870 0.077 0.000 1.073 638 L CA 2.289 57.120 54.840 -0.014 0.000 0.753 638 L CB -0.840 41.207 42.059 -0.019 0.000 0.890 638 L HN 0.424 nan 8.230 nan 0.000 0.432 639 Y N 0.812 121.064 120.300 -0.079 0.000 2.053 639 Y HA -0.350 2.767 4.550 -2.390 0.000 0.277 639 Y C 2.833 178.727 175.900 -0.011 0.000 1.159 639 Y CA 1.845 59.892 58.100 -0.089 0.000 1.125 639 Y CB -0.534 37.800 38.460 -0.210 0.000 0.969 639 Y HN 0.105 nan 8.280 nan 0.000 0.492 640 S N 0.254 115.941 115.700 -0.023 0.000 2.359 640 S HA -0.223 2.813 4.470 -2.390 0.000 0.223 640 S C 1.837 176.415 174.600 -0.037 0.000 1.039 640 S CA 1.661 59.823 58.200 -0.064 0.000 1.042 640 S CB -0.946 62.327 63.200 0.120 0.000 0.915 640 S HN 0.441 nan 8.310 nan 0.000 0.439 641 F N 2.075 121.967 119.950 -0.097 0.000 2.095 641 F HA -0.159 2.934 4.527 -2.391 0.000 0.298 641 F C 2.720 178.460 175.800 -0.100 0.000 1.104 641 F CA 1.330 59.291 58.000 -0.064 0.000 1.232 641 F CB -0.805 38.181 39.000 -0.023 0.000 0.987 641 F HN 0.255 nan 8.300 nan 0.000 0.475 642 Q N -0.768 119.069 119.800 0.062 0.000 2.124 642 Q HA -0.161 2.745 4.340 -2.390 0.000 0.202 642 Q C 2.337 178.259 176.000 -0.131 0.000 0.977 642 Q CA 1.790 57.572 55.803 -0.035 0.000 0.850 642 Q CB -0.476 28.238 28.738 -0.039 0.000 0.901 642 Q HN 0.299 nan 8.270 nan 0.000 0.429 643 S N 1.252 116.795 115.700 -0.261 0.000 2.382 643 S HA -0.111 2.925 4.470 -2.390 0.000 0.228 643 S C 1.108 175.596 174.600 -0.187 0.000 1.027 643 S CA 1.218 59.237 58.200 -0.301 0.000 0.991 643 S CB -0.099 62.783 63.200 -0.531 0.000 0.823 643 S HN 0.333 nan 8.310 nan 0.000 0.469 644 D N 0.657 120.953 120.400 -0.173 0.000 2.340 644 D HA 0.135 3.341 4.640 -2.390 0.000 0.220 644 D C 0.108 176.338 176.300 -0.117 0.000 1.039 644 D CA 0.183 54.097 54.000 -0.143 0.000 0.866 644 D CB -0.033 40.663 40.800 -0.172 0.000 0.913 644 D HN 0.314 nan 8.370 nan 0.000 0.523 645 K N -0.523 119.817 120.400 -0.101 0.000 3.117 645 K HA -0.134 2.752 4.320 -2.390 0.000 0.269 645 K C -0.737 175.824 176.600 -0.065 0.000 1.098 645 K CA 0.077 56.319 56.287 -0.074 0.000 0.785 645 K CB -1.593 30.866 32.500 -0.069 0.000 1.242 645 K HN 0.027 nan 8.250 nan 0.000 0.491 646 V N 1.421 121.297 119.914 -0.063 0.000 2.394 646 V HA 0.120 2.806 4.120 -2.390 0.000 0.282 646 V C 0.931 177.092 176.094 0.111 0.000 1.031 646 V CA -0.589 61.692 62.300 -0.031 0.000 0.881 646 V CB 1.681 33.372 31.823 -0.219 0.000 0.982 646 V HN 0.204 nan 8.190 nan 0.000 0.451 647 T N 6.648 121.238 114.554 0.061 0.000 2.905 647 T HA 0.327 3.243 4.350 -2.390 0.000 0.299 647 T C -0.223 174.581 174.700 0.175 0.000 1.024 647 T CA 0.997 63.084 62.100 -0.021 0.000 1.151 647 T CB -0.049 68.669 68.868 -0.250 0.000 0.987 647 T HN 0.583 nan 8.240 nan 0.000 0.535 648 I N 2.428 123.045 120.570 0.077 0.000 2.828 648 I HA 0.548 3.284 4.170 -2.390 0.000 0.295 648 I C -1.526 174.640 176.117 0.082 0.000 1.459 648 I CA -0.855 60.531 61.300 0.143 0.000 1.015 648 I CB 1.815 39.844 38.000 0.048 0.000 1.345 648 I HN 0.438 nan 8.210 nan 0.000 0.449 649 V N 5.957 125.966 119.914 0.159 0.000 2.823 649 V HA 0.542 3.228 4.120 -2.390 0.000 0.312 649 V C -1.171 174.976 176.094 0.090 0.000 1.072 649 V CA -0.387 61.998 62.300 0.141 0.000 0.937 649 V CB 2.173 34.156 31.823 0.267 0.000 1.013 649 V HN 0.803 nan 8.190 nan 0.000 0.430 650 D N 4.534 124.969 120.400 0.058 0.000 2.294 650 D HA 0.180 3.386 4.640 -2.390 0.000 0.250 650 D C 1.007 177.313 176.300 0.010 0.000 1.058 650 D CA -0.245 53.778 54.000 0.038 0.000 0.950 650 D CB 0.856 41.648 40.800 -0.013 0.000 1.158 650 D HN 0.793 nan 8.370 nan 0.000 0.453 651 H N 0.319 119.323 119.070 -0.111 0.000 2.422 651 H HA -0.175 2.947 4.556 -2.390 0.000 0.298 651 H C 1.206 176.435 175.328 -0.165 0.000 1.098 651 H CA 1.298 57.243 56.048 -0.171 0.000 1.315 651 H CB -0.688 28.908 29.762 -0.277 0.000 1.382 651 H HN 0.511 nan 8.280 nan 0.000 0.523 652 H N 1.114 119.961 119.070 -0.373 0.000 2.326 652 H HA -0.004 3.118 4.556 -2.390 0.000 0.301 652 H C 2.400 177.697 175.328 -0.050 0.000 1.081 652 H CA 1.568 57.494 56.048 -0.202 0.000 1.334 652 H CB 0.049 29.652 29.762 -0.266 0.000 1.385 652 H HN 0.382 nan 8.280 nan 0.000 0.504 653 S N 0.758 116.503 115.700 0.076 0.000 2.371 653 S HA -0.045 2.991 4.470 -2.390 0.000 0.224 653 S C 2.473 177.142 174.600 0.114 0.000 1.029 653 S CA 0.744 58.996 58.200 0.088 0.000 0.978 653 S CB -0.227 63.018 63.200 0.075 0.000 0.833 653 S HN 0.504 nan 8.310 nan 0.000 0.466 654 A N 2.130 125.018 122.820 0.114 0.000 1.877 654 A HA -0.141 2.745 4.320 -2.390 0.000 0.216 654 A C 2.491 180.174 177.584 0.165 0.000 1.186 654 A CA 2.220 54.345 52.037 0.146 0.000 0.620 654 A CB -1.556 17.520 19.000 0.127 0.000 0.822 654 A HN 0.632 nan 8.150 nan 0.000 0.443 655 T N -1.916 112.717 114.554 0.131 0.000 2.777 655 T HA -0.175 2.741 4.350 -2.390 0.000 0.266 655 T C 1.785 176.613 174.700 0.213 0.000 1.040 655 T CA 1.525 63.724 62.100 0.164 0.000 1.141 655 T CB -0.424 68.508 68.868 0.106 0.000 0.868 655 T HN 0.622 nan 8.240 nan 0.000 0.444 656 E N 1.007 121.305 120.200 0.164 0.000 2.077 656 E HA -0.149 2.767 4.350 -2.390 0.000 0.193 656 E C 2.369 179.058 176.600 0.148 0.000 0.989 656 E CA 1.318 57.805 56.400 0.145 0.000 0.800 656 E CB -0.295 29.472 29.700 0.112 0.000 0.746 656 E HN 0.521 nan 8.360 nan 0.000 0.452 657 S N -0.021 115.775 115.700 0.161 0.000 2.382 657 S HA -0.140 2.896 4.470 -2.390 0.000 0.228 657 S C 1.428 176.146 174.600 0.196 0.000 1.027 657 S CA 1.023 59.319 58.200 0.159 0.000 0.991 657 S CB -0.396 62.903 63.200 0.165 0.000 0.823 657 S HN 0.401 nan 8.310 nan 0.000 0.469 658 F N 2.203 122.222 119.950 0.115 0.000 2.186 658 F HA -0.057 3.036 4.527 -2.390 0.000 0.299 658 F C 1.765 177.658 175.800 0.155 0.000 1.090 658 F CA 0.885 58.973 58.000 0.146 0.000 1.307 658 F CB -0.205 38.862 39.000 0.111 0.000 1.019 658 F HN 0.101 nan 8.300 nan 0.000 0.489 659 I N 0.761 121.383 120.570 0.087 0.000 2.179 659 I HA -0.303 2.433 4.170 -2.390 0.000 0.242 659 I C 2.451 178.524 176.117 -0.074 0.000 1.088 659 I CA 1.532 62.827 61.300 -0.007 0.000 1.357 659 I CB -1.370 36.683 38.000 0.088 0.000 1.051 659 I HN 0.205 nan 8.210 nan 0.000 0.409 660 K N 0.185 120.582 120.400 -0.004 0.000 2.032 660 K HA -0.289 2.597 4.320 -2.390 0.000 0.209 660 K C 2.374 178.957 176.600 -0.028 0.000 1.048 660 K CA 1.939 58.226 56.287 -0.000 0.000 0.927 660 K CB -0.294 32.231 32.500 0.043 0.000 0.712 660 K HN 0.293 nan 8.250 nan 0.000 0.441 661 H N 0.395 119.386 119.070 -0.132 0.000 2.319 661 H HA -0.111 3.011 4.556 -2.390 0.000 0.299 661 H C 2.076 177.259 175.328 -0.242 0.000 1.092 661 H CA 2.366 58.316 56.048 -0.163 0.000 1.302 661 H CB -0.162 29.495 29.762 -0.175 0.000 1.373 661 H HN 0.184 nan 8.280 nan 0.000 0.497 662 M N 0.067 119.343 119.600 -0.540 0.000 2.108 662 M HA -0.179 2.867 4.480 -2.390 0.000 0.261 662 M C 1.918 178.140 176.300 -0.130 0.000 1.066 662 M CA 2.066 57.093 55.300 -0.455 0.000 1.107 662 M CB -0.010 32.317 32.600 -0.455 0.000 1.356 662 M HN 0.467 nan 8.290 nan 0.000 0.406 663 E N -0.261 119.864 120.200 -0.125 0.000 2.106 663 E HA -0.172 2.744 4.350 -2.390 0.000 0.192 663 E C 1.628 178.211 176.600 -0.029 0.000 0.984 663 E CA 0.973 57.343 56.400 -0.050 0.000 0.806 663 E CB -0.172 29.494 29.700 -0.056 0.000 0.750 663 E HN 0.594 nan 8.360 nan 0.000 0.458 664 N N 0.923 119.571 118.700 -0.088 0.000 2.171 664 N HA -0.117 3.189 4.740 -2.390 0.000 0.184 664 N C 1.644 177.087 175.510 -0.112 0.000 1.021 664 N CA 0.745 53.753 53.050 -0.070 0.000 0.854 664 N CB -0.062 38.399 38.487 -0.043 0.000 0.994 664 N HN 0.150 nan 8.380 nan 0.000 0.426 665 E N 0.319 120.366 120.200 -0.255 0.000 2.153 665 E HA -0.148 2.768 4.350 -2.390 0.000 0.194 665 E C 1.657 178.109 176.600 -0.247 0.000 0.988 665 E CA 0.742 56.951 56.400 -0.319 0.000 0.811 665 E CB -0.254 29.124 29.700 -0.536 0.000 0.746 665 E HN 0.490 nan 8.360 nan 0.000 0.466 666 Y N 1.111 121.311 120.300 -0.167 0.000 2.220 666 Y HA -0.139 2.977 4.550 -2.390 0.000 0.291 666 Y C 2.547 178.401 175.900 -0.077 0.000 1.129 666 Y CA 1.770 59.809 58.100 -0.102 0.000 1.161 666 Y CB 0.013 38.423 38.460 -0.083 0.000 0.997 666 Y HN 0.069 nan 8.280 nan 0.000 0.522 667 R N -2.034 118.501 120.500 0.059 0.000 2.276 667 R HA 0.058 2.964 4.340 -2.390 0.000 0.196 667 R C 1.398 177.689 176.300 -0.015 0.000 0.961 667 R CA 1.334 57.448 56.100 0.024 0.000 1.024 667 R CB -0.881 29.433 30.300 0.023 0.000 0.940 667 R HN 0.216 nan 8.270 nan 0.000 0.480 668 C N -0.665 118.609 119.300 -0.043 0.000 2.820 668 C HA 0.372 3.397 4.460 -2.390 0.000 0.323 668 C C 2.286 177.233 174.990 -0.072 0.000 1.279 668 C CA -0.191 58.802 59.018 -0.042 0.000 1.790 668 C CB -0.162 27.566 27.740 -0.021 0.000 2.328 668 C HN 0.543 nan 8.230 nan 0.000 0.579 669 R N -0.125 120.299 120.500 -0.125 0.000 2.257 669 R HA 0.271 3.177 4.340 -2.390 0.000 0.195 669 R C 1.377 177.569 176.300 -0.181 0.000 0.921 669 R CA 1.039 57.045 56.100 -0.157 0.000 1.069 669 R CB 0.420 30.592 30.300 -0.215 0.000 1.115 669 R HN 0.419 nan 8.270 nan 0.000 0.571 670 G N -0.325 108.349 108.800 -0.210 0.000 2.134 670 G HA2 -0.095 2.431 3.960 -2.390 0.000 0.209 670 G HA3 -0.095 2.431 3.960 -2.390 0.000 0.209 670 G C 0.051 174.714 174.900 -0.395 0.000 0.993 670 G CA -0.109 44.863 45.100 -0.214 0.000 0.669 670 G HN 0.781 nan 8.290 nan 0.000 0.519 671 G N -2.275 106.126 108.800 -0.666 0.000 2.321 671 G HA2 0.558 3.084 3.960 -2.390 0.000 0.298 671 G HA3 0.558 3.084 3.960 -2.390 0.000 0.298 671 G C -1.004 173.479 174.900 -0.695 0.000 1.385 671 G CA 0.324 44.834 45.100 -0.983 0.000 0.856 671 G HN 1.798 nan 8.290 nan 0.000 0.584 672 C N 2.345 121.351 119.300 -0.491 0.000 2.887 672 C HA 0.659 3.685 4.460 -2.390 0.000 0.379 672 C C -2.506 172.390 174.990 -0.157 0.000 1.064 672 C CA -1.129 57.736 59.018 -0.253 0.000 1.282 672 C CB 0.975 28.589 27.740 -0.209 0.000 1.749 672 C HN 0.701 nan 8.230 nan 0.000 0.489 673 P HA 0.408 nan 4.420 nan 0.000 0.268 673 P C -0.687 176.492 177.300 -0.202 0.000 1.204 673 P CA 0.537 63.224 63.100 -0.689 0.000 0.768 673 P CB 1.160 32.272 31.700 -0.979 0.000 0.842 674 A N 2.296 125.064 122.820 -0.087 0.000 2.488 674 A HA 0.378 3.264 4.320 -2.390 0.000 0.295 674 A C -1.115 176.510 177.584 0.069 0.000 1.045 674 A CA -0.551 51.527 52.037 0.069 0.000 0.703 674 A CB 1.215 20.384 19.000 0.282 0.000 1.271 674 A HN 0.452 nan 8.150 nan 0.000 0.400 675 D N 2.156 122.583 120.400 0.044 0.000 2.467 675 D HA 0.143 3.349 4.640 -2.390 0.000 0.220 675 D C 0.864 177.283 176.300 0.198 0.000 1.103 675 D CA -0.497 53.566 54.000 0.105 0.000 0.886 675 D CB 0.229 41.044 40.800 0.025 0.000 1.025 675 D HN 0.594 nan 8.370 nan 0.000 0.514 676 W N 3.787 125.115 121.300 0.048 0.000 2.304 676 W HA -0.307 2.919 4.660 -2.390 0.000 0.315 676 W C 1.730 178.280 176.519 0.052 0.000 1.233 676 W CA 1.418 58.783 57.345 0.033 0.000 1.261 676 W CB -0.058 29.405 29.460 0.004 0.000 1.150 676 W HN 0.296 nan 8.180 nan 0.000 0.494 677 V N -0.659 119.547 119.914 0.487 0.000 2.380 677 V HA -0.323 2.363 4.120 -2.390 0.000 0.251 677 V C 1.575 177.776 176.094 0.179 0.000 1.063 677 V CA 2.142 64.668 62.300 0.378 0.000 1.055 677 V CB -0.945 31.102 31.823 0.372 0.000 0.657 677 V HN 0.327 nan 8.190 nan 0.000 0.455 678 W N -1.285 120.003 121.300 -0.020 0.000 2.630 678 W HA 0.213 3.438 4.660 -2.392 0.000 0.271 678 W C 2.198 178.617 176.519 -0.168 0.000 1.244 678 W CA 0.051 57.353 57.345 -0.071 0.000 1.353 678 W CB -0.031 29.405 29.460 -0.040 0.000 1.080 678 W HN 0.079 nan 8.180 nan 0.000 0.594 679 I N -0.065 120.482 120.570 -0.039 0.000 2.252 679 I HA -0.102 2.634 4.170 -2.390 0.000 0.245 679 I C 0.679 176.608 176.117 -0.313 0.000 1.102 679 I CA 0.851 62.004 61.300 -0.245 0.000 1.385 679 I CB -1.650 36.112 38.000 -0.397 0.000 1.064 679 I HN -0.415 nan 8.210 nan 0.000 0.414 680 V N 4.171 123.807 119.914 -0.463 0.000 2.450 680 V HA 0.046 2.732 4.120 -2.390 0.000 0.281 680 V C -1.891 174.029 176.094 -0.290 0.000 1.019 680 V CA -0.955 61.058 62.300 -0.478 0.000 1.062 680 V CB -0.225 31.081 31.823 -0.861 0.000 0.979 680 V HN 0.137 nan 8.190 nan 0.000 0.477 681 P HA 0.080 nan 4.420 nan 0.000 0.267 681 P C -1.787 175.385 177.300 -0.213 0.000 1.200 681 P CA -0.980 61.999 63.100 -0.203 0.000 0.772 681 P CB 0.055 31.644 31.700 -0.184 0.000 0.855 682 P HA -0.025 nan 4.420 nan 0.000 0.244 682 P C -0.080 177.107 177.300 -0.189 0.000 1.211 682 P CA 1.129 64.112 63.100 -0.196 0.000 0.760 682 P CB -0.108 31.470 31.700 -0.203 0.000 0.961 683 M N -4.632 114.825 119.600 -0.238 0.000 2.470 683 M HA 0.483 3.529 4.480 -2.390 0.000 0.285 683 M C -0.423 175.752 176.300 -0.208 0.000 1.213 683 M CA -0.549 54.615 55.300 -0.226 0.000 0.901 683 M CB 1.933 34.364 32.600 -0.280 0.000 1.718 683 M HN -0.335 nan 8.290 nan 0.000 0.469 684 S N 0.825 116.454 115.700 -0.117 0.000 3.533 684 S HA -0.189 2.846 4.470 -2.390 0.000 0.347 684 S C 1.132 175.692 174.600 -0.067 0.000 1.101 684 S CA 0.962 59.134 58.200 -0.048 0.000 1.009 684 S CB -2.054 61.190 63.200 0.073 0.000 0.916 684 S HN 1.267 nan 8.310 nan 0.000 0.496 685 G N 2.470 111.200 108.800 -0.117 0.000 2.719 685 G HA2 -0.376 2.149 3.960 -2.390 0.000 0.219 685 G HA3 -0.376 2.149 3.960 -2.390 0.000 0.219 685 G C 1.481 176.235 174.900 -0.244 0.000 1.234 685 G CA 1.788 46.822 45.100 -0.110 0.000 0.788 685 G HN 1.371 nan 8.290 nan 0.000 0.619 686 S N 0.769 116.022 115.700 -0.745 0.000 2.547 686 S HA -0.004 3.032 4.470 -2.390 0.000 0.235 686 S C 2.147 176.707 174.600 -0.067 0.000 0.980 686 S CA 1.166 58.811 58.200 -0.924 0.000 0.941 686 S CB -0.430 62.082 63.200 -1.146 0.000 0.763 686 S HN 0.843 nan 8.310 nan 0.000 0.532 687 I N 0.350 120.926 120.570 0.011 0.000 3.793 687 I HA 0.229 2.965 4.170 -2.390 0.000 0.315 687 I C 0.413 176.669 176.117 0.231 0.000 1.275 687 I CA -0.188 61.201 61.300 0.149 0.000 1.214 687 I CB -0.413 37.672 38.000 0.141 0.000 1.018 687 I HN 0.228 nan 8.210 nan 0.000 0.439 688 T N -1.957 112.723 114.554 0.211 0.000 2.902 688 T HA 0.492 3.408 4.350 -2.390 0.000 0.283 688 T C -1.892 172.984 174.700 0.293 0.000 1.009 688 T CA -1.832 60.400 62.100 0.219 0.000 1.051 688 T CB 1.696 70.635 68.868 0.118 0.000 0.999 688 T HN -0.158 nan 8.240 nan 0.000 0.474 689 P HA -0.095 nan 4.420 nan 0.000 0.216 689 P C 1.913 179.416 177.300 0.338 0.000 1.150 689 P CA 0.993 64.284 63.100 0.319 0.000 0.837 689 P CB -0.367 31.464 31.700 0.219 0.000 0.786 690 V N -3.413 116.643 119.914 0.236 0.000 2.688 690 V HA -0.245 2.441 4.120 -2.390 0.000 0.256 690 V C 2.096 178.259 176.094 0.116 0.000 1.084 690 V CA 1.488 63.888 62.300 0.167 0.000 1.103 690 V CB -2.104 29.738 31.823 0.031 0.000 0.688 690 V HN -0.036 nan 8.190 nan 0.000 0.480 691 F N 1.595 121.534 119.950 -0.019 0.000 2.216 691 F HA -0.120 2.973 4.527 -2.391 0.000 0.300 691 F C 2.388 178.281 175.800 0.154 0.000 1.085 691 F CA 2.087 60.076 58.000 -0.018 0.000 1.326 691 F CB -0.216 38.669 39.000 -0.192 0.000 1.027 691 F HN 0.289 nan 8.300 nan 0.000 0.497 692 H N -1.117 118.239 119.070 0.476 0.000 2.539 692 H HA 0.117 3.238 4.556 -2.390 0.000 0.269 692 H C 0.282 175.836 175.328 0.377 0.000 0.980 692 H CA 0.127 56.424 56.048 0.415 0.000 1.152 692 H CB -0.052 29.948 29.762 0.397 0.000 1.407 692 H HN 0.237 nan 8.280 nan 0.000 0.564 693 Q N 2.151 122.207 119.800 0.427 0.000 2.331 693 Q HA 0.135 3.041 4.340 -2.390 0.000 0.257 693 Q C -0.515 175.703 176.000 0.364 0.000 0.957 693 Q CA -0.353 55.655 55.803 0.340 0.000 0.923 693 Q CB 0.665 29.576 28.738 0.289 0.000 1.212 693 Q HN 0.236 nan 8.270 nan 0.000 0.443 694 E N 3.533 123.892 120.200 0.266 0.000 2.398 694 E HA 0.200 3.116 4.350 -2.390 0.000 0.263 694 E C -0.467 176.264 176.600 0.218 0.000 1.046 694 E CA 0.357 56.882 56.400 0.209 0.000 0.908 694 E CB 0.787 30.589 29.700 0.170 0.000 0.963 694 E HN 0.605 nan 8.360 nan 0.000 0.431 695 M N 2.165 121.900 119.600 0.226 0.000 2.619 695 M HA 0.427 3.472 4.480 -2.390 0.000 0.297 695 M C -1.059 175.357 176.300 0.194 0.000 1.229 695 M CA -0.682 54.769 55.300 0.253 0.000 0.860 695 M CB 1.850 34.651 32.600 0.335 0.000 1.741 695 M HN 0.236 nan 8.290 nan 0.000 0.462 696 L N 1.639 122.992 121.223 0.217 0.000 2.349 696 L HA 0.506 3.412 4.340 -2.390 0.000 0.278 696 L C -0.800 176.174 176.870 0.173 0.000 0.996 696 L CA -0.408 54.564 54.840 0.220 0.000 0.825 696 L CB 1.747 43.985 42.059 0.299 0.000 1.243 696 L HN 0.723 nan 8.230 nan 0.000 0.412 697 N N 3.040 121.826 118.700 0.144 0.000 2.399 697 N HA 0.622 3.928 4.740 -2.390 0.000 0.295 697 N C -1.750 173.845 175.510 0.142 0.000 1.048 697 N CA -0.378 52.682 53.050 0.018 0.000 0.886 697 N CB 1.486 39.991 38.487 0.031 0.000 1.185 697 N HN 0.473 nan 8.380 nan 0.000 0.487 698 Y N -0.625 119.680 120.300 0.008 0.000 2.662 698 Y HA 0.403 3.519 4.550 -2.390 0.000 0.334 698 Y C -1.462 174.426 175.900 -0.020 0.000 1.185 698 Y CA -1.352 56.748 58.100 0.001 0.000 1.074 698 Y CB 0.614 39.089 38.460 0.025 0.000 1.330 698 Y HN 0.252 nan 8.280 nan 0.000 0.458 699 R N 2.124 122.706 120.500 0.137 0.000 2.368 699 R HA 0.777 3.683 4.340 -2.390 0.000 0.302 699 R C -1.360 174.991 176.300 0.084 0.000 1.002 699 R CA -0.727 55.397 56.100 0.039 0.000 0.929 699 R CB 1.315 31.617 30.300 0.004 0.000 1.073 699 R HN 0.678 nan 8.270 nan 0.000 0.464 700 L N 1.859 123.094 121.223 0.020 0.000 2.431 700 L HA 0.459 3.365 4.340 -2.390 0.000 0.266 700 L C -0.018 176.842 176.870 -0.017 0.000 0.978 700 L CA -0.911 53.946 54.840 0.028 0.000 0.822 700 L CB 2.493 44.572 42.059 0.034 0.000 1.310 700 L HN 0.729 nan 8.230 nan 0.000 0.409 701 T N -0.557 113.997 114.554 0.001 0.000 2.925 701 T HA 0.614 3.530 4.350 -2.390 0.000 0.285 701 T C -2.654 172.062 174.700 0.027 0.000 1.021 701 T CA -2.248 59.839 62.100 -0.021 0.000 1.042 701 T CB 1.592 70.451 68.868 -0.014 0.000 1.037 701 T HN 0.181 nan 8.240 nan 0.000 0.481 702 P HA 0.270 nan 4.420 nan 0.000 0.268 702 P C -0.490 176.692 177.300 -0.197 0.000 1.208 702 P CA -0.112 62.905 63.100 -0.139 0.000 0.777 702 P CB 0.461 32.052 31.700 -0.182 0.000 0.875 703 S N 0.726 116.267 115.700 -0.266 0.000 2.638 703 S HA 0.671 3.706 4.470 -2.390 0.000 0.274 703 S C -1.386 172.983 174.600 -0.384 0.000 1.157 703 S CA -0.824 57.206 58.200 -0.283 0.000 0.826 703 S CB 0.841 63.956 63.200 -0.143 0.000 1.139 703 S HN 0.144 nan 8.310 nan 0.000 0.474 704 F N 1.145 121.037 119.950 -0.096 0.000 2.436 704 F HA 0.640 3.732 4.527 -2.391 0.000 0.340 704 F C 0.717 176.467 175.800 -0.083 0.000 1.113 704 F CA -0.362 57.599 58.000 -0.064 0.000 1.022 704 F CB 1.616 40.555 39.000 -0.101 0.000 1.128 704 F HN 0.521 nan 8.300 nan 0.000 0.466 705 E N 2.113 122.405 120.200 0.153 0.000 2.392 705 E HA 0.284 3.200 4.350 -2.390 0.000 0.269 705 E C -1.186 175.499 176.600 0.140 0.000 0.924 705 E CA -0.838 55.576 56.400 0.024 0.000 0.784 705 E CB 2.147 31.852 29.700 0.009 0.000 1.292 705 E HN 0.548 nan 8.360 nan 0.000 0.447 706 Y N 0.823 121.131 120.300 0.014 0.000 2.314 706 Y HA 0.147 3.263 4.550 -2.391 0.000 0.334 706 Y C 1.001 176.889 175.900 -0.021 0.000 1.266 706 Y CA -0.360 57.734 58.100 -0.009 0.000 1.391 706 Y CB 1.112 39.558 38.460 -0.023 0.000 1.306 706 Y HN 0.334 nan 8.280 nan 0.000 0.558 707 Q N 1.360 121.226 119.800 0.109 0.000 2.391 707 Q HA 0.460 3.366 4.340 -2.390 0.000 0.279 707 Q C -3.170 172.770 176.000 -0.101 0.000 1.028 707 Q CA -2.372 53.433 55.803 0.004 0.000 0.836 707 Q CB 1.724 30.459 28.738 -0.004 0.000 1.414 707 Q HN 0.307 nan 8.270 nan 0.000 0.397 708 P HA -0.004 nan 4.420 nan 0.000 0.263 708 P C -0.836 176.235 177.300 -0.381 0.000 1.175 708 P CA 0.256 63.230 63.100 -0.209 0.000 0.761 708 P CB 0.372 31.977 31.700 -0.159 0.000 0.794 709 D N 4.526 124.596 120.400 -0.549 0.000 2.488 709 D HA -0.053 3.153 4.640 -2.390 0.000 0.238 709 D C -0.968 174.673 176.300 -1.097 0.000 1.138 709 D CA -0.729 52.641 54.000 -1.050 0.000 0.873 709 D CB 0.487 40.347 40.800 -1.567 0.000 1.183 709 D HN 0.282 nan 8.370 nan 0.000 0.458 710 P HA -0.170 nan 4.420 nan 0.000 0.215 710 P C 1.507 178.195 177.300 -1.020 0.000 1.157 710 P CA 1.463 63.875 63.100 -1.147 0.000 0.868 710 P CB -0.224 30.401 31.700 -1.791 0.000 0.788 711 W N 0.980 121.713 121.300 -0.945 0.000 2.421 711 W HA -0.009 3.213 4.660 -2.397 0.000 0.270 711 W C 1.282 177.812 176.519 0.018 0.000 1.233 711 W CA 0.818 57.990 57.345 -0.290 0.000 1.226 711 W CB -2.564 26.923 29.460 0.045 0.000 1.121 711 W HN -0.055 nan 8.180 nan 0.000 0.579 712 N N -0.024 118.514 118.700 -0.270 0.000 2.398 712 N HA 0.003 3.309 4.740 -2.390 0.000 0.188 712 N C 0.792 176.283 175.510 -0.033 0.000 1.122 712 N CA 1.145 54.158 53.050 -0.061 0.000 0.866 712 N CB 0.066 38.444 38.487 -0.181 0.000 0.970 712 N HN 0.352 nan 8.380 nan 0.000 0.462 713 T N -4.688 109.844 114.554 -0.037 0.000 3.252 713 T HA 0.016 2.931 4.350 -2.390 0.000 0.295 713 T C -0.282 174.471 174.700 0.088 0.000 0.897 713 T CA -0.447 61.658 62.100 0.007 0.000 0.905 713 T CB -0.337 68.496 68.868 -0.058 0.000 1.202 713 T HN 0.063 nan 8.240 nan 0.000 0.592 714 H N 2.827 121.930 119.070 0.055 0.000 2.646 714 H HA 0.522 3.646 4.556 -2.387 0.000 0.325 714 H C 0.287 175.720 175.328 0.175 0.000 1.075 714 H CA -0.484 55.614 56.048 0.083 0.000 1.421 714 H CB 1.281 31.111 29.762 0.115 0.000 1.461 714 H HN 0.242 nan 8.280 nan 0.000 0.525 715 V N 3.994 123.614 119.914 -0.489 0.000 2.222 715 V HA 0.192 2.878 4.120 -2.390 0.000 0.253 715 V C 0.072 175.865 176.094 -0.503 0.000 1.210 715 V CA -1.095 61.023 62.300 -0.305 0.000 1.079 715 V CB -1.527 30.197 31.823 -0.166 0.000 1.265 715 V HN 0.584 nan 8.190 nan 0.000 0.494 716 W N 0.000 121.059 121.300 -0.402 0.000 2.388 716 W HA 0.000 3.227 4.660 -2.389 0.000 0.303 716 W CA 0.000 57.245 57.345 -0.167 0.000 1.226 716 W CB 0.000 29.477 29.460 0.027 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535