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 3nny_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 0.000 176.639 176.300 0.565 0.000 0.893 299 R CA 0.000 56.293 56.100 0.322 0.000 0.921 299 R CB 0.000 30.430 30.300 0.216 0.000 0.687 300 F N 3.222 123.237 119.950 0.109 0.000 2.350 300 F HA 0.498 4.660 4.527 -0.607 0.000 0.365 300 F C -0.329 175.525 175.800 0.090 0.000 1.122 300 F CA -0.810 57.261 58.000 0.119 0.000 1.139 300 F CB 1.065 40.097 39.000 0.054 0.000 1.220 300 F HN 0.017 nan 8.300 nan 0.000 0.499 301 L N 4.132 125.478 121.223 0.205 0.000 2.334 301 L HA 0.514 4.489 4.340 -0.608 0.000 0.275 301 L C 0.050 176.964 176.870 0.074 0.000 1.036 301 L CA -0.841 54.039 54.840 0.067 0.000 0.807 301 L CB 1.641 43.633 42.059 -0.112 0.000 1.231 301 L HN 0.397 nan 8.230 nan 0.000 0.438 302 K N 1.808 122.236 120.400 0.047 0.000 2.156 302 K HA 0.669 4.624 4.320 -0.608 0.000 0.254 302 K C -1.064 175.536 176.600 0.001 0.000 0.950 302 K CA -0.740 55.559 56.287 0.021 0.000 0.849 302 K CB 2.606 35.108 32.500 0.004 0.000 1.100 302 K HN 0.424 nan 8.250 nan 0.000 0.434 303 V N -0.795 119.088 119.914 -0.050 0.000 2.604 303 V HA 0.568 4.323 4.120 -0.608 0.000 0.305 303 V C -0.734 175.283 176.094 -0.128 0.000 1.043 303 V CA -0.954 61.311 62.300 -0.059 0.000 0.888 303 V CB 1.584 33.372 31.823 -0.059 0.000 0.995 303 V HN 0.742 nan 8.190 nan 0.000 0.429 304 K N 3.389 123.720 120.400 -0.115 0.000 2.270 304 K HA 0.437 4.392 4.320 -0.608 0.000 0.255 304 K C -0.791 175.682 176.600 -0.212 0.000 0.936 304 K CA -0.664 55.459 56.287 -0.273 0.000 0.809 304 K CB 1.705 33.882 32.500 -0.538 0.000 1.131 304 K HN 0.915 nan 8.250 nan 0.000 0.427 305 N N 3.811 122.394 118.700 -0.196 0.000 2.434 305 N HA 0.079 4.454 4.740 -0.608 0.000 0.272 305 N C -0.284 175.164 175.510 -0.103 0.000 1.040 305 N CA -0.228 52.805 53.050 -0.027 0.000 0.956 305 N CB 0.513 39.012 38.487 0.020 0.000 1.108 305 N HN 0.683 nan 8.380 nan 0.000 0.481 306 W N 1.993 123.372 121.300 0.132 0.000 3.139 306 W HA 0.188 4.483 4.660 -0.608 0.000 0.260 306 W C 2.030 178.599 176.519 0.084 0.000 1.312 306 W CA -0.231 57.184 57.345 0.117 0.000 1.606 306 W CB 0.411 29.963 29.460 0.155 0.000 1.118 306 W HN 0.667 nan 8.180 nan 0.000 0.675 307 E N -0.172 120.153 120.200 0.210 0.000 2.140 307 E HA -0.117 3.869 4.350 -0.608 0.000 0.191 307 E C 1.901 178.510 176.600 0.016 0.000 0.973 307 E CA 1.725 58.143 56.400 0.030 0.000 0.829 307 E CB 0.149 29.783 29.700 -0.110 0.000 0.781 307 E HN 0.206 nan 8.360 nan 0.000 0.466 308 T N -2.913 111.649 114.554 0.013 0.000 3.001 308 T HA 0.118 4.103 4.350 -0.608 0.000 0.251 308 T C 0.448 175.119 174.700 -0.048 0.000 1.040 308 T CA 0.457 62.548 62.100 -0.015 0.000 0.985 308 T CB 0.357 69.219 68.868 -0.010 0.000 1.011 308 T HN 0.015 nan 8.240 nan 0.000 0.509 309 D N 0.026 120.373 120.400 -0.089 0.000 2.946 309 D HA -0.128 4.147 4.640 -0.608 0.000 0.202 309 D C -0.059 176.145 176.300 -0.160 0.000 1.068 309 D CA 0.611 54.517 54.000 -0.157 0.000 1.011 309 D CB -1.922 38.811 40.800 -0.111 0.000 1.105 309 D HN 0.462 nan 8.370 nan 0.000 0.425 310 V N 0.907 120.748 119.914 -0.123 0.000 2.617 310 V HA 0.093 3.849 4.120 -0.608 0.000 0.304 310 V C 0.921 176.917 176.094 -0.165 0.000 1.040 310 V CA 0.210 62.438 62.300 -0.120 0.000 1.149 310 V CB 1.315 33.083 31.823 -0.092 0.000 0.914 310 V HN -0.003 nan 8.190 nan 0.000 0.487 311 V N 7.155 126.977 119.914 -0.154 0.000 2.448 311 V HA 0.508 4.264 4.120 -0.608 0.000 0.295 311 V C -0.127 175.871 176.094 -0.161 0.000 1.025 311 V CA -0.509 61.692 62.300 -0.166 0.000 0.859 311 V CB 1.583 33.321 31.823 -0.142 0.000 0.988 311 V HN 0.619 nan 8.190 nan 0.000 0.431 312 L N 3.543 124.630 121.223 -0.227 0.000 2.342 312 L HA 0.673 4.648 4.340 -0.608 0.000 0.271 312 L C 0.002 176.779 176.870 -0.154 0.000 1.008 312 L CA -0.421 54.245 54.840 -0.290 0.000 0.818 312 L CB 2.461 44.068 42.059 -0.753 0.000 1.296 312 L HN 0.542 nan 8.230 nan 0.000 0.427 313 T N 0.274 114.839 114.554 0.019 0.000 2.771 313 T HA 0.210 4.196 4.350 -0.608 0.000 0.281 313 T C -0.720 174.128 174.700 0.247 0.000 0.982 313 T CA -0.461 61.704 62.100 0.109 0.000 0.978 313 T CB 1.360 70.274 68.868 0.076 0.000 0.930 313 T HN 0.425 nan 8.240 nan 0.000 0.447 314 D N 2.205 122.747 120.400 0.237 0.000 2.233 314 D HA 0.252 4.528 4.640 -0.608 0.000 0.240 314 D C 0.737 177.037 176.300 0.000 0.000 1.074 314 D CA -0.333 53.792 54.000 0.207 0.000 0.838 314 D CB 1.601 42.589 40.800 0.313 0.000 1.124 314 D HN 0.643 nan 8.370 nan 0.000 0.475 315 T N 0.874 115.300 114.554 -0.213 0.000 2.975 315 T HA -0.021 3.965 4.350 -0.608 0.000 0.261 315 T C 1.753 176.187 174.700 -0.443 0.000 0.984 315 T CA -0.259 61.556 62.100 -0.475 0.000 0.911 315 T CB 0.114 68.578 68.868 -0.672 0.000 1.127 315 T HN 0.241 nan 8.240 nan 0.000 0.514 316 L N 3.024 124.073 121.223 -0.290 0.000 2.201 316 L HA -0.024 3.952 4.340 -0.608 0.000 0.212 316 L C 2.547 179.200 176.870 -0.362 0.000 1.105 316 L CA 1.767 56.460 54.840 -0.245 0.000 0.775 316 L CB -0.861 41.126 42.059 -0.121 0.000 0.913 316 L HN 0.581 nan 8.230 nan 0.000 0.440 317 H N -1.088 117.594 119.070 -0.646 0.000 2.489 317 H HA -0.138 4.053 4.556 -0.608 0.000 0.293 317 H C 1.865 176.913 175.328 -0.466 0.000 1.066 317 H CA 1.539 56.955 56.048 -1.054 0.000 1.305 317 H CB -0.650 28.423 29.762 -1.148 0.000 1.386 317 H HN 0.443 nan 8.280 nan 0.000 0.551 318 L N 0.658 121.333 121.223 -0.914 0.000 2.362 318 L HA -0.065 3.910 4.340 -0.608 0.000 0.219 318 L C 2.057 178.768 176.870 -0.265 0.000 1.134 318 L CA 0.960 55.480 54.840 -0.533 0.000 0.807 318 L CB -0.157 41.618 42.059 -0.473 0.000 0.927 318 L HN 0.185 nan 8.230 nan 0.000 0.447 319 K N -0.485 119.773 120.400 -0.236 0.000 2.444 319 K HA 0.072 4.027 4.320 -0.608 0.000 0.193 319 K C 0.947 177.512 176.600 -0.058 0.000 1.024 319 K CA -0.112 56.105 56.287 -0.117 0.000 1.077 319 K CB 0.306 32.751 32.500 -0.092 0.000 0.833 319 K HN 0.083 nan 8.250 nan 0.000 0.517 320 S N 0.363 116.017 115.700 -0.078 0.000 2.568 320 S HA -0.005 4.101 4.470 -0.608 0.000 0.282 320 S C 0.981 175.598 174.600 0.028 0.000 1.338 320 S CA 0.200 58.414 58.200 0.023 0.000 1.045 320 S CB 1.112 64.331 63.200 0.030 0.000 0.873 320 S HN 0.242 nan 8.310 nan 0.000 0.516 321 T N 3.780 118.368 114.554 0.056 0.000 3.272 321 T HA 0.340 4.326 4.350 -0.608 0.000 0.247 321 T C 0.492 175.220 174.700 0.047 0.000 0.990 321 T CA -0.127 61.998 62.100 0.042 0.000 1.213 321 T CB -0.525 68.367 68.868 0.039 0.000 1.124 321 T HN 0.562 nan 8.240 nan 0.000 0.401 322 L N 2.208 123.463 121.223 0.054 0.000 2.476 322 L HA 0.386 4.362 4.340 -0.608 0.000 0.255 322 L C 0.350 177.253 176.870 0.054 0.000 1.218 322 L CA -0.296 54.572 54.840 0.048 0.000 0.819 322 L CB 0.251 42.335 42.059 0.043 0.000 1.119 322 L HN 0.356 nan 8.230 nan 0.000 0.485 323 E N -0.664 119.562 120.200 0.045 0.000 2.277 323 E HA 0.122 4.108 4.350 -0.608 0.000 0.274 323 E C 0.440 177.066 176.600 0.045 0.000 1.022 323 E CA -0.009 56.418 56.400 0.045 0.000 0.853 323 E CB 1.381 31.103 29.700 0.037 0.000 1.086 323 E HN 0.701 nan 8.360 nan 0.000 0.397 324 T N -0.988 113.595 114.554 0.048 0.000 3.035 324 T HA 0.176 4.162 4.350 -0.608 0.000 0.259 324 T C 1.418 176.138 174.700 0.033 0.000 1.078 324 T CA 0.501 62.627 62.100 0.044 0.000 1.132 324 T CB 0.137 69.038 68.868 0.054 0.000 0.900 324 T HN 0.770 nan 8.240 nan 0.000 0.480 325 G N 0.413 109.233 108.800 0.033 0.000 2.313 325 G HA2 -0.236 3.360 3.960 -0.608 0.000 0.215 325 G HA3 -0.236 3.360 3.960 -0.608 0.000 0.215 325 G C 0.347 175.267 174.900 0.033 0.000 1.023 325 G CA -0.225 44.894 45.100 0.031 0.000 0.626 325 G HN 0.754 nan 8.290 nan 0.000 0.503 326 C N 2.005 121.325 119.300 0.034 0.000 2.520 326 C HA 0.817 4.912 4.460 -0.608 0.000 0.376 326 C C 1.166 176.175 174.990 0.032 0.000 1.268 326 C CA 0.646 59.684 59.018 0.032 0.000 2.414 326 C CB 0.810 28.567 27.740 0.029 0.000 2.521 326 C HN 1.016 nan 8.230 nan 0.000 0.618 327 T N -1.223 113.350 114.554 0.032 0.000 2.742 327 T HA 0.394 4.379 4.350 -0.608 0.000 0.282 327 T C 0.372 175.066 174.700 -0.010 0.000 1.025 327 T CA -0.485 61.630 62.100 0.025 0.000 1.020 327 T CB 0.928 69.833 68.868 0.060 0.000 1.317 327 T HN 0.538 nan 8.240 nan 0.000 0.538 328 E N -0.368 119.790 120.200 -0.070 0.000 2.338 328 E HA -0.023 3.962 4.350 -0.608 0.000 0.197 328 E C 1.582 178.042 176.600 -0.235 0.000 1.007 328 E CA 0.989 57.282 56.400 -0.178 0.000 0.849 328 E CB -0.141 29.390 29.700 -0.282 0.000 0.774 328 E HN 0.550 nan 8.360 nan 0.000 0.506 329 H N -1.163 117.911 119.070 0.006 0.000 2.639 329 H HA 0.361 4.553 4.556 -0.608 0.000 0.267 329 H C 0.160 175.490 175.328 0.003 0.000 0.958 329 H CA 0.290 56.341 56.048 0.004 0.000 1.221 329 H CB 1.013 30.778 29.762 0.005 0.000 1.446 329 H HN 0.097 nan 8.280 nan 0.000 0.512 330 I N 0.562 121.196 120.570 0.107 0.000 2.644 330 I HA 0.174 3.979 4.170 -0.608 0.000 0.291 330 I C -1.105 175.036 176.117 0.039 0.000 1.180 330 I CA -0.663 60.676 61.300 0.066 0.000 1.040 330 I CB 1.859 39.898 38.000 0.065 0.000 1.255 330 I HN 0.011 nan 8.210 nan 0.000 0.422 331 C N 7.682 126.998 119.300 0.026 0.000 2.307 331 C HA 0.529 4.624 4.460 -0.608 0.000 0.340 331 C C 0.840 175.845 174.990 0.024 0.000 1.275 331 C CA -0.445 58.584 59.018 0.019 0.000 1.811 331 C CB 0.403 28.145 27.740 0.005 0.000 2.372 331 C HN 0.878 nan 8.230 nan 0.000 0.531 332 M N 4.842 124.459 119.600 0.029 0.000 2.576 332 M HA 0.191 4.306 4.480 -0.608 0.000 0.322 332 M C 1.883 178.209 176.300 0.044 0.000 1.184 332 M CA 0.090 55.411 55.300 0.035 0.000 0.967 332 M CB 0.131 32.751 32.600 0.033 0.000 1.372 332 M HN 1.024 nan 8.290 nan 0.000 0.509 333 G N 1.308 110.134 108.800 0.045 0.000 2.550 333 G HA2 -0.265 3.331 3.960 -0.608 0.000 0.222 333 G HA3 -0.265 3.331 3.960 -0.608 0.000 0.222 333 G C 1.453 176.414 174.900 0.103 0.000 1.113 333 G CA 1.713 46.852 45.100 0.065 0.000 0.748 333 G HN 0.586 nan 8.290 nan 0.000 0.585 334 S N -0.475 115.279 115.700 0.089 0.000 2.540 334 S HA 0.363 4.469 4.470 -0.608 0.000 0.218 334 S C 0.671 175.335 174.600 0.107 0.000 0.977 334 S CA -0.650 57.618 58.200 0.113 0.000 0.918 334 S CB 0.174 63.422 63.200 0.081 0.000 0.806 334 S HN 0.043 nan 8.310 nan 0.000 0.496 335 I N 2.581 123.202 120.570 0.086 0.000 2.471 335 I HA 0.205 4.010 4.170 -0.608 0.000 0.286 335 I C 1.602 177.773 176.117 0.091 0.000 1.079 335 I CA -0.034 61.308 61.300 0.070 0.000 1.398 335 I CB 0.072 38.098 38.000 0.043 0.000 1.403 335 I HN 0.290 nan 8.210 nan 0.000 0.530 336 M N 5.626 125.279 119.600 0.090 0.000 2.175 336 M HA -0.021 4.095 4.480 -0.608 0.000 0.264 336 M C 0.330 176.622 176.300 -0.014 0.000 1.063 336 M CA 1.661 57.028 55.300 0.110 0.000 1.119 336 M CB 0.017 32.673 32.600 0.094 0.000 1.377 336 M HN 0.395 nan 8.290 nan 0.000 0.415 337 L N 1.490 122.688 121.223 -0.041 0.000 2.433 337 L HA 0.379 4.354 4.340 -0.608 0.000 0.256 337 L C -2.109 174.755 176.870 -0.010 0.000 1.063 337 L CA -1.537 53.266 54.840 -0.062 0.000 0.922 337 L CB -0.024 41.983 42.059 -0.088 0.000 1.238 337 L HN 0.034 nan 8.230 nan 0.000 0.466 351 K N 0.344 120.769 120.400 0.041 0.000 2.063 351 K HA -0.133 3.823 4.320 -0.608 0.000 0.208 351 K C 1.260 177.903 176.600 0.071 0.000 1.048 351 K CA 2.028 58.346 56.287 0.051 0.000 0.928 351 K CB -0.231 32.284 32.500 0.024 0.000 0.713 351 K HN 0.501 nan 8.250 nan 0.000 0.442 352 D N 0.802 121.236 120.400 0.056 0.000 2.178 352 D HA -0.154 4.122 4.640 -0.608 0.000 0.201 352 D C 1.887 178.237 176.300 0.082 0.000 0.980 352 D CA 1.198 55.237 54.000 0.066 0.000 0.842 352 D CB -0.207 40.620 40.800 0.044 0.000 0.948 352 D HN 0.341 nan 8.370 nan 0.000 0.472 353 Q N -0.433 119.409 119.800 0.069 0.000 2.137 353 Q HA 0.024 4.000 4.340 -0.608 0.000 0.198 353 Q C 2.062 178.108 176.000 0.077 0.000 0.960 353 Q CA 0.290 56.129 55.803 0.061 0.000 0.847 353 Q CB 0.018 28.783 28.738 0.044 0.000 0.915 353 Q HN 0.176 nan 8.270 nan 0.000 0.448 354 L N -0.013 121.271 121.223 0.102 0.000 2.156 354 L HA -0.054 3.922 4.340 -0.608 0.000 0.208 354 L C 1.923 178.884 176.870 0.151 0.000 1.095 354 L CA 1.372 56.291 54.840 0.131 0.000 0.770 354 L CB -0.400 41.753 42.059 0.158 0.000 0.914 354 L HN 0.079 nan 8.230 nan 0.000 0.439 355 F N 1.556 121.514 119.950 0.012 0.000 2.113 355 F HA 0.002 4.164 4.527 -0.608 0.000 0.297 355 F C -0.553 175.245 175.800 -0.003 0.000 1.103 355 F CA 0.904 58.891 58.000 -0.021 0.000 1.248 355 F CB -1.630 37.347 39.000 -0.038 0.000 0.999 355 F HN 0.144 nan 8.300 nan 0.000 0.475 356 P HA -0.215 nan 4.420 nan 0.000 0.216 356 P C 2.189 179.399 177.300 -0.149 0.000 1.153 356 P CA 1.837 64.840 63.100 -0.162 0.000 0.858 356 P CB -0.265 31.421 31.700 -0.024 0.000 0.789 357 L N -0.700 120.490 121.223 -0.055 0.000 2.042 357 L HA -0.185 3.790 4.340 -0.608 0.000 0.210 357 L C 2.756 179.643 176.870 0.028 0.000 1.076 357 L CA 1.797 56.642 54.840 0.008 0.000 0.749 357 L CB -1.303 40.782 42.059 0.044 0.000 0.893 357 L HN -0.048 nan 8.230 nan 0.000 0.432 358 A N 0.131 122.924 122.820 -0.045 0.000 1.877 358 A HA -0.256 3.699 4.320 -0.608 0.000 0.216 358 A C 2.391 179.913 177.584 -0.105 0.000 1.186 358 A CA 2.020 54.031 52.037 -0.044 0.000 0.620 358 A CB -0.460 18.351 19.000 -0.315 0.000 0.822 358 A HN 0.342 nan 8.150 nan 0.000 0.443 359 K N -0.209 119.946 120.400 -0.409 0.000 2.009 359 K HA -0.219 3.736 4.320 -0.608 0.000 0.210 359 K C 2.119 178.671 176.600 -0.079 0.000 1.049 359 K CA 1.729 57.806 56.287 -0.349 0.000 0.929 359 K CB -0.245 31.908 32.500 -0.578 0.000 0.714 359 K HN 0.571 nan 8.250 nan 0.000 0.440 360 E N -0.265 119.911 120.200 -0.040 0.000 2.070 360 E HA -0.249 3.736 4.350 -0.608 0.000 0.197 360 E C 1.916 178.592 176.600 0.126 0.000 1.004 360 E CA 1.684 58.115 56.400 0.052 0.000 0.805 360 E CB -0.242 29.491 29.700 0.054 0.000 0.744 360 E HN 0.397 nan 8.360 nan 0.000 0.451 361 F N 1.159 121.129 119.950 0.034 0.000 2.102 361 F HA -0.154 4.009 4.527 -0.606 0.000 0.298 361 F C 2.062 177.927 175.800 0.109 0.000 1.105 361 F CA 1.386 59.437 58.000 0.084 0.000 1.239 361 F CB -0.302 38.761 39.000 0.104 0.000 0.991 361 F HN -0.016 nan 8.300 nan 0.000 0.474 362 L N -0.114 121.091 121.223 -0.030 0.000 2.217 362 L HA -0.158 3.818 4.340 -0.608 0.000 0.211 362 L C 2.022 178.937 176.870 0.074 0.000 1.107 362 L CA 0.947 55.779 54.840 -0.013 0.000 0.783 362 L CB -0.792 41.377 42.059 0.184 0.000 0.919 362 L HN 0.072 nan 8.230 nan 0.000 0.442 363 D N 0.108 120.568 120.400 0.101 0.000 2.097 363 D HA -0.215 4.060 4.640 -0.608 0.000 0.195 363 D C 2.279 178.622 176.300 0.072 0.000 0.989 363 D CA 1.466 55.569 54.000 0.171 0.000 0.827 363 D CB -0.156 40.816 40.800 0.286 0.000 0.966 363 D HN 0.531 nan 8.370 nan 0.000 0.456 364 Q N -0.552 119.223 119.800 -0.042 0.000 2.123 364 Q HA -0.189 3.786 4.340 -0.608 0.000 0.199 364 Q C 2.201 178.016 176.000 -0.309 0.000 0.966 364 Q CA 0.861 56.603 55.803 -0.102 0.000 0.845 364 Q CB -0.728 27.996 28.738 -0.023 0.000 0.907 364 Q HN 0.345 nan 8.270 nan 0.000 0.439 365 Y N 0.937 120.798 120.300 -0.732 0.000 2.097 365 Y HA -0.295 3.891 4.550 -0.607 0.000 0.282 365 Y C 1.678 177.137 175.900 -0.735 0.000 1.152 365 Y CA 1.760 59.180 58.100 -1.134 0.000 1.136 365 Y CB -0.562 37.128 38.460 -1.284 0.000 0.975 365 Y HN 0.081 nan 8.280 nan 0.000 0.498 366 Y N -0.717 119.201 120.300 -0.637 0.000 2.293 366 Y HA -0.190 3.995 4.550 -0.608 0.000 0.291 366 Y C 3.067 178.713 175.900 -0.423 0.000 1.137 366 Y CA 1.684 59.400 58.100 -0.640 0.000 1.202 366 Y CB -0.700 37.274 38.460 -0.811 0.000 0.990 366 Y HN 0.241 nan 8.280 nan 0.000 0.537 367 S N -0.515 115.107 115.700 -0.129 0.000 2.368 367 S HA -0.209 3.897 4.470 -0.608 0.000 0.225 367 S C 2.381 176.881 174.600 -0.167 0.000 1.030 367 S CA 1.561 59.725 58.200 -0.061 0.000 0.999 367 S CB -0.662 62.493 63.200 -0.076 0.000 0.844 367 S HN 0.595 nan 8.310 nan 0.000 0.459 368 S N 2.118 117.658 115.700 -0.266 0.000 2.382 368 S HA -0.079 4.027 4.470 -0.608 0.000 0.228 368 S C 1.760 176.216 174.600 -0.240 0.000 1.027 368 S CA 1.172 59.253 58.200 -0.199 0.000 0.991 368 S CB -1.025 62.099 63.200 -0.128 0.000 0.823 368 S HN 0.824 nan 8.310 nan 0.000 0.469 369 I N -2.152 118.159 120.570 -0.432 0.000 3.812 369 I HA 0.389 4.194 4.170 -0.608 0.000 0.320 369 I C 0.059 176.053 176.117 -0.205 0.000 1.276 369 I CA -0.426 60.662 61.300 -0.354 0.000 1.164 369 I CB -0.585 37.080 38.000 -0.558 0.000 1.009 369 I HN 0.039 nan 8.210 nan 0.000 0.431 370 K N 1.586 121.896 120.400 -0.151 0.000 3.125 370 K HA -0.176 3.780 4.320 -0.608 0.000 0.268 370 K C 0.234 176.821 176.600 -0.021 0.000 1.078 370 K CA 0.571 56.819 56.287 -0.064 0.000 0.775 370 K CB -1.533 30.938 32.500 -0.048 0.000 1.253 370 K HN 0.550 nan 8.250 nan 0.000 0.486 371 R N 0.278 120.774 120.500 -0.006 0.000 2.668 371 R HA 0.179 4.155 4.340 -0.608 0.000 0.435 371 R C -0.440 175.913 176.300 0.088 0.000 1.059 371 R CA -0.481 55.661 56.100 0.071 0.000 1.073 371 R CB 0.332 30.713 30.300 0.134 0.000 1.401 371 R HN 0.169 nan 8.270 nan 0.000 0.590 372 F N 0.842 120.750 119.950 -0.071 0.000 2.578 372 F HA 0.186 4.349 4.527 -0.608 0.000 0.381 372 F C 1.453 177.303 175.800 0.083 0.000 1.069 372 F CA 1.629 59.585 58.000 -0.074 0.000 1.231 372 F CB 0.790 39.742 39.000 -0.080 0.000 1.086 372 F HN 0.449 nan 8.300 nan 0.000 0.564 373 G N 3.612 112.288 108.800 -0.206 0.000 2.179 373 G HA2 -0.273 3.323 3.960 -0.608 0.000 0.257 373 G HA3 -0.273 3.323 3.960 -0.608 0.000 0.257 373 G C 0.136 175.001 174.900 -0.058 0.000 1.010 373 G CA 0.410 45.417 45.100 -0.154 0.000 0.736 373 G HN 1.134 nan 8.290 nan 0.000 0.513 374 S N -1.519 114.170 115.700 -0.018 0.000 2.693 374 S HA 0.644 4.749 4.470 -0.608 0.000 0.276 374 S C 1.311 175.868 174.600 -0.072 0.000 1.192 374 S CA 0.247 58.435 58.200 -0.019 0.000 0.994 374 S CB 2.022 65.239 63.200 0.028 0.000 1.012 374 S HN 0.327 nan 8.310 nan 0.000 0.550 375 K N 0.488 120.855 120.400 -0.054 0.000 2.026 375 K HA -0.074 3.882 4.320 -0.608 0.000 0.208 375 K C 2.308 178.854 176.600 -0.090 0.000 1.048 375 K CA 1.343 57.586 56.287 -0.074 0.000 0.929 375 K CB -0.892 31.582 32.500 -0.043 0.000 0.713 375 K HN 0.765 nan 8.250 nan 0.000 0.439 376 A N 0.574 123.370 122.820 -0.041 0.000 1.940 376 A HA -0.259 3.696 4.320 -0.608 0.000 0.219 376 A C 2.032 179.472 177.584 -0.240 0.000 1.176 376 A CA 1.880 53.907 52.037 -0.018 0.000 0.631 376 A CB -0.983 18.100 19.000 0.138 0.000 0.814 376 A HN 0.605 nan 8.150 nan 0.000 0.446 377 H N -1.138 117.556 119.070 -0.626 0.000 2.267 377 H HA -0.143 4.048 4.556 -0.608 0.000 0.297 377 H C 2.070 177.017 175.328 -0.635 0.000 1.080 377 H CA 1.727 57.067 56.048 -1.179 0.000 1.278 377 H CB -0.099 29.147 29.762 -0.860 0.000 1.365 377 H HN 0.344 nan 8.280 nan 0.000 0.489 378 M N 0.877 120.172 119.600 -0.508 0.000 2.117 378 M HA -0.156 3.959 4.480 -0.608 0.000 0.262 378 M C 1.755 177.894 176.300 -0.269 0.000 1.065 378 M CA 1.123 56.160 55.300 -0.440 0.000 1.114 378 M CB -0.841 31.575 32.600 -0.306 0.000 1.361 378 M HN 0.337 nan 8.290 nan 0.000 0.408 379 D N 0.025 120.309 120.400 -0.193 0.000 2.123 379 D HA -0.188 4.087 4.640 -0.608 0.000 0.196 379 D C 2.074 178.324 176.300 -0.083 0.000 0.992 379 D CA 1.364 55.299 54.000 -0.109 0.000 0.833 379 D CB -0.346 40.416 40.800 -0.065 0.000 0.954 379 D HN 0.333 nan 8.370 nan 0.000 0.455 380 R N 0.227 120.666 120.500 -0.102 0.000 2.115 380 R HA -0.025 3.950 4.340 -0.608 0.000 0.226 380 R C 2.148 178.439 176.300 -0.015 0.000 1.100 380 R CA 0.595 56.688 56.100 -0.012 0.000 0.980 380 R CB -0.565 29.786 30.300 0.085 0.000 0.875 380 R HN 0.065 nan 8.270 nan 0.000 0.445 381 L N 0.952 122.122 121.223 -0.089 0.000 2.046 381 L HA -0.081 3.894 4.340 -0.608 0.000 0.208 381 L C 2.244 179.138 176.870 0.041 0.000 1.077 381 L CA 2.052 56.880 54.840 -0.021 0.000 0.747 381 L CB -0.511 41.469 42.059 -0.132 0.000 0.896 381 L HN 0.297 nan 8.230 nan 0.000 0.432 382 E N -0.286 119.889 120.200 -0.041 0.000 2.077 382 E HA -0.290 3.696 4.350 -0.608 0.000 0.193 382 E C 2.145 178.715 176.600 -0.051 0.000 0.989 382 E CA 1.730 58.094 56.400 -0.060 0.000 0.800 382 E CB -0.178 29.477 29.700 -0.076 0.000 0.746 382 E HN 0.540 nan 8.360 nan 0.000 0.452 383 E N -0.612 119.573 120.200 -0.025 0.000 2.077 383 E HA -0.166 3.820 4.350 -0.608 0.000 0.193 383 E C 1.990 178.592 176.600 0.002 0.000 0.989 383 E CA 1.480 57.877 56.400 -0.005 0.000 0.800 383 E CB 0.061 29.773 29.700 0.021 0.000 0.746 383 E HN 0.213 nan 8.360 nan 0.000 0.452 384 V N 1.987 121.904 119.914 0.006 0.000 2.427 384 V HA -0.224 3.531 4.120 -0.608 0.000 0.248 384 V C 2.410 178.477 176.094 -0.045 0.000 1.051 384 V CA 1.746 64.018 62.300 -0.046 0.000 1.048 384 V CB -0.695 31.023 31.823 -0.176 0.000 0.666 384 V HN 0.413 nan 8.190 nan 0.000 0.456 385 N N 0.551 119.226 118.700 -0.043 0.000 2.120 385 N HA -0.197 4.178 4.740 -0.608 0.000 0.188 385 N C 1.909 177.269 175.510 -0.250 0.000 1.024 385 N CA 1.505 54.334 53.050 -0.368 0.000 0.852 385 N CB -0.014 38.051 38.487 -0.703 0.000 1.003 385 N HN 0.483 nan 8.380 nan 0.000 0.424 386 K N 0.674 120.985 120.400 -0.147 0.000 2.057 386 K HA -0.159 3.796 4.320 -0.608 0.000 0.207 386 K C 1.936 178.504 176.600 -0.054 0.000 1.049 386 K CA 1.144 57.372 56.287 -0.098 0.000 0.931 386 K CB -0.118 32.344 32.500 -0.064 0.000 0.714 386 K HN 0.331 nan 8.250 nan 0.000 0.440 387 E N 0.983 121.172 120.200 -0.018 0.000 2.106 387 E HA -0.150 3.835 4.350 -0.608 0.000 0.192 387 E C 1.910 178.536 176.600 0.043 0.000 0.984 387 E CA 0.762 57.182 56.400 0.033 0.000 0.806 387 E CB 0.065 29.820 29.700 0.091 0.000 0.750 387 E HN 0.220 nan 8.360 nan 0.000 0.458 388 I N 1.061 121.648 120.570 0.028 0.000 2.133 388 I HA -0.230 3.575 4.170 -0.608 0.000 0.238 388 I C 2.478 178.593 176.117 -0.004 0.000 1.074 388 I CA 0.936 62.264 61.300 0.045 0.000 1.342 388 I CB -0.291 37.740 38.000 0.051 0.000 1.053 388 I HN 0.093 nan 8.210 nan 0.000 0.404 389 E N 0.346 120.509 120.200 -0.062 0.000 2.187 389 E HA -0.277 3.708 4.350 -0.608 0.000 0.199 389 E C 2.245 178.823 176.600 -0.036 0.000 1.004 389 E CA 1.956 58.316 56.400 -0.067 0.000 0.813 389 E CB -0.207 29.428 29.700 -0.109 0.000 0.736 389 E HN 0.449 nan 8.360 nan 0.000 0.468 390 S N -0.739 114.947 115.700 -0.023 0.000 2.452 390 S HA -0.050 4.056 4.470 -0.608 0.000 0.225 390 S C 2.021 176.622 174.600 0.001 0.000 1.057 390 S CA 1.425 59.618 58.200 -0.012 0.000 0.949 390 S CB -0.029 63.165 63.200 -0.010 0.000 0.836 390 S HN 0.337 nan 8.310 nan 0.000 0.518 391 T N -1.058 113.505 114.554 0.014 0.000 3.037 391 T HA 0.213 4.198 4.350 -0.608 0.000 0.251 391 T C 1.185 175.897 174.700 0.021 0.000 1.079 391 T CA 1.215 63.327 62.100 0.020 0.000 1.067 391 T CB -0.137 68.750 68.868 0.031 0.000 0.948 391 T HN 1.313 nan 8.240 nan 0.000 0.496 392 S N -1.090 114.628 115.700 0.030 0.000 3.018 392 S HA -0.181 3.924 4.470 -0.608 0.000 0.274 392 S C 0.233 174.868 174.600 0.058 0.000 1.300 392 S CA 1.281 59.502 58.200 0.035 0.000 1.179 392 S CB -2.698 60.512 63.200 0.016 0.000 1.427 392 S HN 1.160 nan 8.310 nan 0.000 0.668 393 T N -0.232 114.372 114.554 0.084 0.000 2.665 393 T HA 0.666 4.651 4.350 -0.608 0.000 0.303 393 T C -1.576 173.258 174.700 0.223 0.000 1.334 393 T CA -0.073 62.100 62.100 0.122 0.000 1.011 393 T CB 1.277 70.149 68.868 0.006 0.000 1.573 393 T HN 1.408 nan 8.240 nan 0.000 0.492 394 Y N -0.485 119.821 120.300 0.009 0.000 2.689 394 Y HA 0.847 5.034 4.550 -0.606 0.000 0.333 394 Y C -1.284 174.630 175.900 0.022 0.000 1.190 394 Y CA -1.236 56.880 58.100 0.027 0.000 1.063 394 Y CB 1.116 39.611 38.460 0.059 0.000 1.294 394 Y HN 0.383 nan 8.280 nan 0.000 0.466 395 Q N 2.072 121.897 119.800 0.042 0.000 2.312 395 Q HA 0.470 4.445 4.340 -0.608 0.000 0.263 395 Q C -1.077 174.954 176.000 0.051 0.000 0.995 395 Q CA -0.824 54.955 55.803 -0.039 0.000 0.853 395 Q CB 2.970 31.723 28.738 0.025 0.000 1.300 395 Q HN 0.786 nan 8.270 nan 0.000 0.448 396 L N 2.333 123.552 121.223 -0.007 0.000 2.349 396 L HA 0.218 4.193 4.340 -0.608 0.000 0.275 396 L C 0.773 177.674 176.870 0.052 0.000 1.115 396 L CA -0.539 54.340 54.840 0.066 0.000 0.820 396 L CB 0.369 42.443 42.059 0.024 0.000 1.135 396 L HN 0.217 nan 8.230 nan 0.000 0.445 397 K N 1.898 122.332 120.400 0.058 0.000 2.380 397 K HA -0.032 3.923 4.320 -0.608 0.000 0.267 397 K C 0.470 177.061 176.600 -0.015 0.000 0.990 397 K CA -0.151 56.147 56.287 0.019 0.000 0.946 397 K CB 0.576 33.079 32.500 0.005 0.000 0.937 397 K HN 0.476 nan 8.250 nan 0.000 0.491 398 D N 0.871 121.262 120.400 -0.014 0.000 2.133 398 D HA -0.171 4.104 4.640 -0.608 0.000 0.195 398 D C 1.758 178.044 176.300 -0.024 0.000 0.997 398 D CA 2.272 56.257 54.000 -0.025 0.000 0.840 398 D CB -0.311 40.480 40.800 -0.015 0.000 0.947 398 D HN 0.751 nan 8.370 nan 0.000 0.452 399 T N -0.931 113.610 114.554 -0.022 0.000 2.720 399 T HA -0.170 3.816 4.350 -0.608 0.000 0.268 399 T C 1.751 176.410 174.700 -0.068 0.000 1.037 399 T CA 1.291 63.389 62.100 -0.004 0.000 1.144 399 T CB -0.445 68.444 68.868 0.036 0.000 0.864 399 T HN 0.270 nan 8.240 nan 0.000 0.444 400 E N 0.857 120.923 120.200 -0.224 0.000 2.106 400 E HA 0.042 4.027 4.350 -0.608 0.000 0.192 400 E C 2.113 178.784 176.600 0.119 0.000 0.984 400 E CA 0.714 57.001 56.400 -0.188 0.000 0.806 400 E CB -0.286 29.348 29.700 -0.109 0.000 0.750 400 E HN 0.310 nan 8.360 nan 0.000 0.458 401 L N 1.134 122.362 121.223 0.008 0.000 1.994 401 L HA -0.157 3.818 4.340 -0.608 0.000 0.208 401 L C 2.115 178.975 176.870 -0.017 0.000 1.071 401 L CA 1.507 56.307 54.840 -0.065 0.000 0.745 401 L CB -0.203 41.770 42.059 -0.143 0.000 0.892 401 L HN 0.091 nan 8.230 nan 0.000 0.431 402 I N -1.658 118.926 120.570 0.023 0.000 2.127 402 I HA -0.379 3.426 4.170 -0.608 0.000 0.241 402 I C 2.403 178.626 176.117 0.177 0.000 1.075 402 I CA 1.976 63.310 61.300 0.057 0.000 1.334 402 I CB -0.555 37.475 38.000 0.049 0.000 1.040 402 I HN 0.358 nan 8.210 nan 0.000 0.405 403 Y N 1.610 121.997 120.300 0.145 0.000 2.128 403 Y HA -0.221 3.964 4.550 -0.608 0.000 0.284 403 Y C 2.420 178.504 175.900 0.307 0.000 1.154 403 Y CA 1.781 60.040 58.100 0.266 0.000 1.149 403 Y CB -0.759 37.857 38.460 0.261 0.000 0.976 403 Y HN 0.096 nan 8.280 nan 0.000 0.505 404 G N -0.214 108.818 108.800 0.387 0.000 2.418 404 G HA2 -0.272 3.323 3.960 -0.608 0.000 0.217 404 G HA3 -0.272 3.323 3.960 -0.608 0.000 0.217 404 G C 1.761 176.660 174.900 -0.003 0.000 1.158 404 G CA 0.970 46.196 45.100 0.210 0.000 0.771 404 G HN 0.614 nan 8.290 nan 0.000 0.545 405 A N 0.499 123.305 122.820 -0.023 0.000 1.929 405 A HA 0.097 4.053 4.320 -0.608 0.000 0.216 405 A C 2.289 179.924 177.584 0.086 0.000 1.176 405 A CA 1.803 53.809 52.037 -0.052 0.000 0.628 405 A CB -0.274 18.695 19.000 -0.052 0.000 0.816 405 A HN 0.359 nan 8.150 nan 0.000 0.444 406 K N -1.294 119.203 120.400 0.161 0.000 2.097 406 K HA -0.143 3.812 4.320 -0.608 0.000 0.205 406 K C 1.912 178.616 176.600 0.173 0.000 1.050 406 K CA 1.651 58.113 56.287 0.292 0.000 0.938 406 K CB -0.256 32.450 32.500 0.343 0.000 0.718 406 K HN 0.624 nan 8.250 nan 0.000 0.442 407 H N -0.169 118.833 119.070 -0.114 0.000 2.428 407 H HA 0.047 4.239 4.556 -0.608 0.000 0.296 407 H C 1.854 177.068 175.328 -0.189 0.000 1.062 407 H CA 1.140 57.016 56.048 -0.286 0.000 1.350 407 H CB -0.089 29.399 29.762 -0.455 0.000 1.403 407 H HN 0.237 nan 8.280 nan 0.000 0.533 408 A N 0.541 123.308 122.820 -0.089 0.000 1.908 408 A HA -0.226 3.730 4.320 -0.608 0.000 0.218 408 A C 2.072 179.679 177.584 0.039 0.000 1.181 408 A CA 1.619 53.505 52.037 -0.251 0.000 0.627 408 A CB -1.054 17.452 19.000 -0.823 0.000 0.818 408 A HN 0.614 nan 8.150 nan 0.000 0.445 409 W N 0.832 122.137 121.300 0.008 0.000 2.355 409 W HA -0.126 4.172 4.660 -0.604 0.000 0.309 409 W C 2.370 178.860 176.519 -0.048 0.000 1.206 409 W CA 1.543 58.933 57.345 0.076 0.000 1.284 409 W CB -0.678 28.822 29.460 0.067 0.000 1.145 409 W HN 0.366 nan 8.180 nan 0.000 0.502 410 R N 0.236 120.652 120.500 -0.141 0.000 2.105 410 R HA -0.184 3.792 4.340 -0.608 0.000 0.239 410 R C 1.467 177.587 176.300 -0.300 0.000 1.135 410 R CA 1.803 57.580 56.100 -0.538 0.000 0.967 410 R CB -0.533 29.036 30.300 -1.218 0.000 0.861 410 R HN 0.104 nan 8.270 nan 0.000 0.442 411 N N 0.186 118.784 118.700 -0.169 0.000 2.398 411 N HA 0.025 4.400 4.740 -0.608 0.000 0.188 411 N C -0.448 175.040 175.510 -0.038 0.000 1.122 411 N CA 0.522 53.507 53.050 -0.108 0.000 0.866 411 N CB 0.624 39.063 38.487 -0.080 0.000 0.970 411 N HN 0.145 nan 8.380 nan 0.000 0.462 412 A N 1.085 123.936 122.820 0.051 0.000 2.545 412 A HA 0.177 4.132 4.320 -0.608 0.000 0.297 412 A C 1.411 179.013 177.584 0.030 0.000 1.340 412 A CA -0.242 51.846 52.037 0.085 0.000 1.016 412 A CB -0.179 18.942 19.000 0.202 0.000 1.122 412 A HN 0.263 nan 8.150 nan 0.000 0.537 413 S N 2.672 118.344 115.700 -0.046 0.000 2.474 413 S HA -0.124 3.981 4.470 -0.608 0.000 0.235 413 S C 1.444 176.008 174.600 -0.061 0.000 0.997 413 S CA 0.886 59.049 58.200 -0.061 0.000 0.949 413 S CB -0.193 62.929 63.200 -0.130 0.000 0.766 413 S HN 0.752 nan 8.310 nan 0.000 0.517 414 R N -0.278 120.154 120.500 -0.114 0.000 2.310 414 R HA 0.251 4.226 4.340 -0.608 0.000 0.202 414 R C 0.182 176.490 176.300 0.014 0.000 0.933 414 R CA 0.075 56.107 56.100 -0.113 0.000 1.054 414 R CB -0.175 29.858 30.300 -0.445 0.000 0.985 414 R HN 0.433 nan 8.270 nan 0.000 0.489 415 C N 0.590 119.904 119.300 0.024 0.000 2.239 415 C HA 0.221 4.316 4.460 -0.608 0.000 0.325 415 C C 1.966 176.952 174.990 -0.006 0.000 1.231 415 C CA -0.738 58.326 59.018 0.076 0.000 1.652 415 C CB 0.387 28.252 27.740 0.208 0.000 2.284 415 C HN 0.289 nan 8.230 nan 0.000 0.499 416 V N 5.958 125.810 119.914 -0.103 0.000 2.970 416 V HA 0.116 3.871 4.120 -0.608 0.000 0.260 416 V C 1.877 178.028 176.094 0.096 0.000 1.100 416 V CA 2.483 64.638 62.300 -0.240 0.000 1.122 416 V CB -0.250 31.456 31.823 -0.195 0.000 0.721 416 V HN 1.069 nan 8.190 nan 0.000 0.483 417 G N -0.850 108.031 108.800 0.137 0.000 3.371 417 G HA2 0.034 3.630 3.960 -0.608 0.000 0.248 417 G HA3 0.034 3.630 3.960 -0.608 0.000 0.248 417 G C 1.270 176.217 174.900 0.078 0.000 1.161 417 G CA -0.310 44.877 45.100 0.143 0.000 0.796 417 G HN 0.455 nan 8.290 nan 0.000 0.539 418 R N -0.199 120.287 120.500 -0.023 0.000 2.316 418 R HA 0.138 4.113 4.340 -0.608 0.000 0.202 418 R C 2.057 177.835 176.300 -0.871 0.000 1.029 418 R CA 0.061 55.856 56.100 -0.508 0.000 1.018 418 R CB -0.187 29.914 30.300 -0.332 0.000 0.888 418 R HN 0.448 nan 8.270 nan 0.000 0.471 419 I N 1.064 121.255 120.570 -0.631 0.000 2.399 419 I HA -0.303 3.503 4.170 -0.608 0.000 0.254 419 I C 1.406 177.332 176.117 -0.318 0.000 1.146 419 I CA 1.457 62.505 61.300 -0.421 0.000 1.412 419 I CB 0.161 38.127 38.000 -0.058 0.000 1.076 419 I HN 0.204 nan 8.210 nan 0.000 0.432 420 Q N 0.426 120.002 119.800 -0.374 0.000 2.403 420 Q HA -0.100 3.875 4.340 -0.608 0.000 0.203 420 Q C 1.619 177.148 176.000 -0.785 0.000 0.932 420 Q CA 0.500 56.087 55.803 -0.359 0.000 0.945 420 Q CB -0.203 28.504 28.738 -0.052 0.000 1.045 420 Q HN 0.810 nan 8.270 nan 0.000 0.511 421 W N 1.142 121.725 121.300 -1.196 0.000 2.325 421 W HA -0.212 4.082 4.660 -0.609 0.000 0.299 421 W C 1.308 177.469 176.519 -0.595 0.000 1.215 421 W CA 1.574 58.027 57.345 -1.487 0.000 1.244 421 W CB -1.185 27.600 29.460 -1.126 0.000 1.140 421 W HN 0.166 nan 8.180 nan 0.000 0.523 422 S N 0.705 115.516 115.700 -1.480 0.000 2.527 422 S HA 0.046 4.151 4.470 -0.608 0.000 0.222 422 S C 0.729 175.038 174.600 -0.485 0.000 0.985 422 S CA 0.113 57.572 58.200 -1.235 0.000 0.921 422 S CB -0.421 61.811 63.200 -1.612 0.000 0.772 422 S HN 0.253 nan 8.310 nan 0.000 0.529 423 K N 1.518 121.735 120.400 -0.304 0.000 2.290 423 K HA 0.479 4.434 4.320 -0.608 0.000 0.250 423 K C -1.398 175.274 176.600 0.121 0.000 1.092 423 K CA -0.379 55.867 56.287 -0.068 0.000 1.006 423 K CB 0.739 33.226 32.500 -0.021 0.000 1.549 423 K HN 0.210 nan 8.250 nan 0.000 0.436 424 L N 2.053 123.338 121.223 0.104 0.000 2.439 424 L HA 0.241 4.216 4.340 -0.608 0.000 0.270 424 L C -1.107 175.757 176.870 -0.009 0.000 0.972 424 L CA -0.574 54.362 54.840 0.160 0.000 0.836 424 L CB 1.889 44.126 42.059 0.295 0.000 1.255 424 L HN 0.325 nan 8.230 nan 0.000 0.404 425 Q N 3.336 123.084 119.800 -0.086 0.000 2.307 425 Q HA 0.499 4.474 4.340 -0.608 0.000 0.259 425 Q C -1.496 174.179 176.000 -0.542 0.000 0.998 425 Q CA 0.004 55.597 55.803 -0.350 0.000 0.923 425 Q CB 1.082 29.562 28.738 -0.430 0.000 1.196 425 Q HN 0.539 nan 8.270 nan 0.000 0.416 426 V N 6.055 125.653 119.914 -0.526 0.000 2.394 426 V HA 0.419 4.174 4.120 -0.608 0.000 0.282 426 V C -0.688 175.052 176.094 -0.590 0.000 1.031 426 V CA -0.527 61.516 62.300 -0.428 0.000 0.881 426 V CB 0.614 32.302 31.823 -0.224 0.000 0.982 426 V HN 0.642 nan 8.190 nan 0.000 0.451 427 F N 2.621 122.442 119.950 -0.215 0.000 2.361 427 F HA 0.368 4.535 4.527 -0.600 0.000 0.364 427 F C 0.410 176.038 175.800 -0.286 0.000 1.117 427 F CA -1.135 56.731 58.000 -0.222 0.000 1.071 427 F CB 1.139 40.017 39.000 -0.203 0.000 1.188 427 F HN 0.425 nan 8.300 nan 0.000 0.464 428 D N 3.296 123.657 120.400 -0.065 0.000 2.374 428 D HA 0.341 4.616 4.640 -0.608 0.000 0.240 428 D C 0.223 176.347 176.300 -0.294 0.000 1.229 428 D CA 0.167 54.056 54.000 -0.184 0.000 0.895 428 D CB 1.082 41.819 40.800 -0.106 0.000 1.046 428 D HN 0.608 nan 8.370 nan 0.000 0.498 429 A N 4.591 127.051 122.820 -0.600 0.000 2.630 429 A HA 0.155 4.111 4.320 -0.608 0.000 0.290 429 A C 1.635 178.916 177.584 -0.506 0.000 1.267 429 A CA -0.386 51.047 52.037 -1.007 0.000 0.950 429 A CB 0.004 17.892 19.000 -1.853 0.000 1.144 429 A HN 0.533 nan 8.150 nan 0.000 0.527 430 R N 0.520 120.852 120.500 -0.281 0.000 2.285 430 R HA -0.087 3.888 4.340 -0.608 0.000 0.213 430 R C 0.745 176.996 176.300 -0.081 0.000 1.068 430 R CA 1.227 57.235 56.100 -0.154 0.000 1.004 430 R CB 0.049 30.305 30.300 -0.073 0.000 0.873 430 R HN 0.676 nan 8.270 nan 0.000 0.467 431 D N -0.804 119.578 120.400 -0.030 0.000 2.339 431 D HA -0.056 4.220 4.640 -0.608 0.000 0.217 431 D C 0.317 176.694 176.300 0.129 0.000 1.050 431 D CA -0.270 53.767 54.000 0.061 0.000 0.856 431 D CB -0.490 40.369 40.800 0.097 0.000 0.922 431 D HN -0.024 nan 8.370 nan 0.000 0.518 432 C N 1.392 120.766 119.300 0.122 0.000 2.662 432 C HA 0.380 4.476 4.460 -0.608 0.000 0.420 432 C C 1.867 177.024 174.990 0.280 0.000 1.314 432 C CA 0.910 60.084 59.018 0.260 0.000 1.963 432 C CB -0.073 27.861 27.740 0.323 0.000 2.686 432 C HN 0.581 nan 8.230 nan 0.000 0.609 433 T N 0.080 114.840 114.554 0.344 0.000 2.986 433 T HA 0.263 4.248 4.350 -0.608 0.000 0.264 433 T C 0.287 175.169 174.700 0.304 0.000 0.964 433 T CA 0.570 62.891 62.100 0.368 0.000 0.895 433 T CB -0.089 68.918 68.868 0.230 0.000 1.163 433 T HN 0.887 nan 8.240 nan 0.000 0.517 434 T N -1.865 112.857 114.554 0.280 0.000 2.865 434 T HA 0.804 4.789 4.350 -0.608 0.000 0.294 434 T C 1.373 176.183 174.700 0.183 0.000 1.119 434 T CA -0.193 62.024 62.100 0.195 0.000 1.007 434 T CB 1.462 70.453 68.868 0.205 0.000 1.225 434 T HN 0.069 nan 8.240 nan 0.000 0.515 435 A N 0.144 123.055 122.820 0.152 0.000 1.933 435 A HA -0.014 3.941 4.320 -0.608 0.000 0.218 435 A C 1.969 179.557 177.584 0.006 0.000 1.175 435 A CA 1.840 53.943 52.037 0.111 0.000 0.628 435 A CB -1.478 17.642 19.000 0.200 0.000 0.814 435 A HN 1.000 nan 8.150 nan 0.000 0.444 436 H N -0.559 118.594 119.070 0.139 0.000 2.353 436 H HA -0.032 5.223 4.556 1.164 0.000 0.300 436 H C 2.393 177.734 175.328 0.023 0.000 1.090 436 H CA 1.644 57.718 56.048 0.044 0.000 1.327 436 H CB -0.449 29.422 29.762 0.181 0.000 1.383 436 H HN 0.478 nan 8.280 nan 0.000 0.508 437 G N 0.248 109.178 108.800 0.216 0.000 2.476 437 G HA2 -0.308 3.287 3.960 -0.608 0.000 0.218 437 G HA3 -0.308 3.287 3.960 -0.608 0.000 0.218 437 G C 1.643 176.703 174.900 0.268 0.000 1.164 437 G CA 1.263 46.495 45.100 0.220 0.000 0.768 437 G HN 0.298 nan 8.290 nan 0.000 0.560 438 M N -0.559 119.140 119.600 0.165 0.000 2.108 438 M HA 0.021 4.137 4.480 -0.608 0.000 0.261 438 M C 2.326 178.646 176.300 0.033 0.000 1.066 438 M CA 1.367 56.684 55.300 0.028 0.000 1.107 438 M CB -0.416 32.002 32.600 -0.304 0.000 1.356 438 M HN 0.309 nan 8.290 nan 0.000 0.406 439 F N 1.206 120.944 119.950 -0.354 0.000 2.134 439 F HA -0.274 3.966 4.527 -0.477 0.000 0.299 439 F C 2.108 177.787 175.800 -0.201 0.000 1.097 439 F CA 1.895 59.604 58.000 -0.485 0.000 1.264 439 F CB -0.224 38.043 39.000 -1.222 0.000 1.001 439 F HN 0.169 nan 8.300 nan 0.000 0.479 440 N N -0.364 118.165 118.700 -0.285 0.000 2.084 440 N HA -0.251 4.125 4.740 -0.608 0.000 0.190 440 N C 1.824 177.173 175.510 -0.268 0.000 1.030 440 N CA 2.045 54.895 53.050 -0.332 0.000 0.849 440 N CB -0.796 37.573 38.487 -0.197 0.000 1.012 440 N HN 0.469 nan 8.380 nan 0.000 0.423 441 Y N 0.341 120.594 120.300 -0.078 0.000 2.207 441 Y HA -0.127 4.054 4.550 -0.615 0.000 0.287 441 Y C 2.159 178.026 175.900 -0.055 0.000 1.156 441 Y CA 1.174 59.251 58.100 -0.039 0.000 1.182 441 Y CB -0.103 38.452 38.460 0.159 0.000 0.979 441 Y HN 0.138 nan 8.280 nan 0.000 0.521 442 I N -1.563 119.082 120.570 0.125 0.000 2.202 442 I HA -0.331 3.474 4.170 -0.608 0.000 0.242 442 I C 2.315 178.374 176.117 -0.097 0.000 1.091 442 I CA 0.859 62.180 61.300 0.036 0.000 1.368 442 I CB -0.499 37.516 38.000 0.024 0.000 1.058 442 I HN 0.286 nan 8.210 nan 0.000 0.410 443 C N 0.911 120.030 119.300 -0.302 0.000 2.413 443 C HA -0.164 3.932 4.460 -0.608 0.000 0.276 443 C C 2.609 177.501 174.990 -0.162 0.000 1.248 443 C CA 0.957 59.798 59.018 -0.296 0.000 1.742 443 C CB -1.500 25.944 27.740 -0.493 0.000 2.017 443 C HN 0.555 nan 8.230 nan 0.000 0.481 444 N N -0.155 118.433 118.700 -0.187 0.000 2.166 444 N HA -0.134 4.242 4.740 -0.608 0.000 0.186 444 N C 1.429 176.850 175.510 -0.148 0.000 1.019 444 N CA 1.442 54.377 53.050 -0.191 0.000 0.856 444 N CB -0.830 37.477 38.487 -0.300 0.000 0.993 444 N HN 0.763 nan 8.380 nan 0.000 0.426 445 H N 0.288 119.227 119.070 -0.219 0.000 2.293 445 H HA -0.023 4.168 4.556 -0.608 0.000 0.300 445 H C 1.830 177.191 175.328 0.055 0.000 1.082 445 H CA 1.664 57.661 56.048 -0.085 0.000 1.308 445 H CB 0.051 29.811 29.762 -0.003 0.000 1.375 445 H HN -0.097 nan 8.280 nan 0.000 0.495 446 V N 1.020 121.074 119.914 0.234 0.000 2.332 446 V HA -0.282 3.474 4.120 -0.608 0.000 0.248 446 V C 2.486 178.656 176.094 0.127 0.000 1.055 446 V CA 2.325 64.717 62.300 0.154 0.000 1.038 446 V CB -0.536 31.303 31.823 0.027 0.000 0.651 446 V HN 0.442 nan 8.190 nan 0.000 0.450 447 K N -1.002 119.446 120.400 0.080 0.000 2.031 447 K HA -0.208 3.748 4.320 -0.608 0.000 0.205 447 K C 2.288 178.940 176.600 0.087 0.000 1.049 447 K CA 1.614 57.934 56.287 0.056 0.000 0.939 447 K CB -0.345 32.166 32.500 0.017 0.000 0.717 447 K HN 0.488 nan 8.250 nan 0.000 0.438 448 Y N 1.033 121.343 120.300 0.017 0.000 2.097 448 Y HA -0.265 3.919 4.550 -0.609 0.000 0.282 448 Y C 2.034 177.993 175.900 0.099 0.000 1.152 448 Y CA 2.039 60.176 58.100 0.062 0.000 1.136 448 Y CB -0.535 37.988 38.460 0.104 0.000 0.975 448 Y HN 0.173 nan 8.280 nan 0.000 0.498 449 A N -0.672 122.275 122.820 0.212 0.000 1.902 449 A HA -0.176 3.779 4.320 -0.608 0.000 0.217 449 A C 2.216 179.838 177.584 0.064 0.000 1.181 449 A CA 2.299 54.427 52.037 0.152 0.000 0.623 449 A CB -1.367 17.818 19.000 0.307 0.000 0.818 449 A HN 0.541 nan 8.150 nan 0.000 0.443 450 T N -0.263 114.335 114.554 0.074 0.000 2.674 450 T HA -0.140 3.845 4.350 -0.608 0.000 0.265 450 T C 1.123 175.821 174.700 -0.003 0.000 1.039 450 T CA 1.471 63.604 62.100 0.055 0.000 1.150 450 T CB -0.431 68.471 68.868 0.056 0.000 0.864 450 T HN 0.652 nan 8.240 nan 0.000 0.427 451 N N 0.984 119.655 118.700 -0.048 0.000 2.727 451 N HA -0.221 4.155 4.740 -0.608 0.000 0.249 451 N C -0.305 175.175 175.510 -0.050 0.000 1.048 451 N CA 0.842 53.840 53.050 -0.086 0.000 0.714 451 N CB -1.590 36.803 38.487 -0.155 0.000 0.959 451 N HN 0.629 nan 8.380 nan 0.000 0.544 452 K N -2.638 117.746 120.400 -0.027 0.000 3.088 452 K HA -0.225 3.730 4.320 -0.608 0.000 0.273 452 K C 1.037 177.621 176.600 -0.027 0.000 1.111 452 K CA 1.088 57.362 56.287 -0.023 0.000 0.803 452 K CB -1.748 30.736 32.500 -0.026 0.000 1.226 452 K HN 0.950 nan 8.250 nan 0.000 0.485 453 G N 0.485 109.274 108.800 -0.018 0.000 2.253 453 G HA2 -0.303 3.293 3.960 -0.608 0.000 0.209 453 G HA3 -0.303 3.293 3.960 -0.608 0.000 0.209 453 G C -0.163 174.722 174.900 -0.025 0.000 0.997 453 G CA 0.059 45.149 45.100 -0.018 0.000 0.640 453 G HN 0.451 nan 8.290 nan 0.000 0.496 454 N N 1.528 120.201 118.700 -0.044 0.000 3.229 454 N HA 0.416 4.791 4.740 -0.608 0.000 0.275 454 N C 0.602 176.075 175.510 -0.063 0.000 1.225 454 N CA -0.477 52.529 53.050 -0.074 0.000 1.119 454 N CB -0.168 38.272 38.487 -0.078 0.000 1.392 454 N HN 0.316 nan 8.380 nan 0.000 0.520 455 L N 2.059 123.269 121.223 -0.023 0.000 2.485 455 L HA 0.135 4.110 4.340 -0.608 0.000 0.275 455 L C 0.581 177.552 176.870 0.167 0.000 1.207 455 L CA 0.462 55.364 54.840 0.103 0.000 0.855 455 L CB 0.322 42.539 42.059 0.263 0.000 1.114 455 L HN 0.363 nan 8.230 nan 0.000 0.485 456 R N 1.507 122.110 120.500 0.172 0.000 2.561 456 R HA 0.336 4.311 4.340 -0.608 0.000 0.297 456 R C -0.702 175.759 176.300 0.268 0.000 0.969 456 R CA -0.629 55.595 56.100 0.205 0.000 0.879 456 R CB 2.103 32.384 30.300 -0.031 0.000 1.178 456 R HN 0.561 nan 8.270 nan 0.000 0.445 457 S N 1.435 117.305 115.700 0.283 0.000 2.549 457 S HA 0.448 4.553 4.470 -0.608 0.000 0.286 457 S C -0.267 174.403 174.600 0.117 0.000 1.314 457 S CA -0.140 58.135 58.200 0.125 0.000 1.062 457 S CB 1.134 64.375 63.200 0.069 0.000 0.865 457 S HN 0.692 nan 8.310 nan 0.000 0.498 458 A N 2.571 125.420 122.820 0.049 0.000 2.612 458 A HA 0.817 4.772 4.320 -0.608 0.000 0.293 458 A C -1.260 176.354 177.584 0.049 0.000 1.075 458 A CA -0.653 51.356 52.037 -0.047 0.000 0.680 458 A CB 1.160 20.072 19.000 -0.146 0.000 1.279 458 A HN 0.796 nan 8.150 nan 0.000 0.411 459 I N 0.304 120.888 120.570 0.022 0.000 2.802 459 I HA 0.695 4.501 4.170 -0.608 0.000 0.298 459 I C -1.120 175.099 176.117 0.171 0.000 1.176 459 I CA -0.142 61.298 61.300 0.233 0.000 1.025 459 I CB 2.474 40.561 38.000 0.145 0.000 1.243 459 I HN 0.617 nan 8.210 nan 0.000 0.424 460 T N 7.571 122.263 114.554 0.229 0.000 2.824 460 T HA 0.595 4.580 4.350 -0.608 0.000 0.282 460 T C -0.541 173.961 174.700 -0.330 0.000 0.993 460 T CA -0.251 61.829 62.100 -0.033 0.000 0.967 460 T CB 1.156 70.022 68.868 -0.003 0.000 0.960 460 T HN 0.311 nan 8.240 nan 0.000 0.441 461 I N 3.879 124.138 120.570 -0.518 0.000 2.420 461 I HA 0.406 4.212 4.170 -0.608 0.000 0.282 461 I C -0.548 175.215 176.117 -0.589 0.000 1.019 461 I CA -0.695 60.331 61.300 -0.456 0.000 1.130 461 I CB 0.756 38.481 38.000 -0.459 0.000 1.262 461 I HN 0.471 nan 8.210 nan 0.000 0.454 462 F N 6.440 126.295 119.950 -0.158 0.000 2.368 462 F HA 0.415 4.584 4.527 -0.597 0.000 0.308 462 F C -1.830 173.830 175.800 -0.233 0.000 1.198 462 F CA -2.165 55.659 58.000 -0.293 0.000 1.130 462 F CB -0.279 38.561 39.000 -0.267 0.000 1.300 462 F HN 0.209 nan 8.300 nan 0.000 0.537 463 P HA 0.003 nan 4.420 nan 0.000 0.267 463 P C -0.979 176.304 177.300 -0.027 0.000 1.200 463 P CA -0.251 62.725 63.100 -0.206 0.000 0.772 463 P CB 0.262 31.711 31.700 -0.419 0.000 0.855 464 Q N 2.690 122.439 119.800 -0.084 0.000 2.454 464 Q HA 0.134 4.109 4.340 -0.608 0.000 0.247 464 Q C 0.164 176.064 176.000 -0.167 0.000 1.028 464 Q CA -0.562 55.001 55.803 -0.400 0.000 0.910 464 Q CB 0.665 28.897 28.738 -0.843 0.000 1.276 464 Q HN 0.310 nan 8.270 nan 0.000 0.489 465 R N 0.356 120.750 120.500 -0.178 0.000 2.698 465 R HA -0.025 3.950 4.340 -0.608 0.000 0.266 465 R C 0.175 176.431 176.300 -0.074 0.000 1.026 465 R CA 1.233 57.295 56.100 -0.064 0.000 1.102 465 R CB 0.478 30.731 30.300 -0.077 0.000 0.978 465 R HN 0.977 nan 8.270 nan 0.000 0.436 466 T N -0.830 113.714 114.554 -0.017 0.000 3.330 466 T HA 0.029 4.014 4.350 -0.608 0.000 0.185 466 T C 0.814 175.497 174.700 -0.029 0.000 0.874 466 T CA 0.163 62.239 62.100 -0.041 0.000 1.268 466 T CB -0.336 68.492 68.868 -0.066 0.000 1.866 466 T HN 0.706 nan 8.240 nan 0.000 0.395 467 D N 0.946 121.335 120.400 -0.019 0.000 2.339 467 D HA 0.293 4.569 4.640 -0.608 0.000 0.217 467 D C 1.609 177.941 176.300 0.053 0.000 1.050 467 D CA 0.619 54.626 54.000 0.012 0.000 0.856 467 D CB -0.498 40.307 40.800 0.009 0.000 0.922 467 D HN 1.000 nan 8.370 nan 0.000 0.518 468 G N 0.821 109.661 108.800 0.067 0.000 2.184 468 G HA2 -0.379 3.216 3.960 -0.608 0.000 0.264 468 G HA3 -0.379 3.216 3.960 -0.608 0.000 0.264 468 G C 0.972 175.924 174.900 0.087 0.000 0.975 468 G CA 0.506 45.644 45.100 0.063 0.000 0.642 468 G HN 0.469 nan 8.290 nan 0.000 0.536 469 K N -0.634 119.867 120.400 0.168 0.000 2.358 469 K HA 0.252 4.207 4.320 -0.608 0.000 0.197 469 K C 0.656 177.256 176.600 0.001 0.000 1.025 469 K CA 0.265 56.620 56.287 0.113 0.000 1.104 469 K CB 0.284 32.868 32.500 0.140 0.000 0.855 469 K HN 0.516 nan 8.250 nan 0.000 0.531 470 H N -0.053 119.023 119.070 0.009 0.000 2.637 470 H HA 0.168 4.359 4.556 -0.608 0.000 0.245 470 H C -1.096 174.235 175.328 0.005 0.000 1.190 470 H CA -0.828 55.216 56.048 -0.006 0.000 0.934 470 H CB 0.241 30.018 29.762 0.025 0.000 1.950 470 H HN -0.007 nan 8.280 nan 0.000 0.614 471 D N 0.394 120.848 120.400 0.091 0.000 2.443 471 D HA 0.013 4.288 4.640 -0.608 0.000 0.239 471 D C -0.021 176.309 176.300 0.050 0.000 1.136 471 D CA 0.415 54.485 54.000 0.116 0.000 0.879 471 D CB 0.507 41.349 40.800 0.071 0.000 1.195 471 D HN 0.096 nan 8.370 nan 0.000 0.443 472 F N 2.262 122.239 119.950 0.045 0.000 2.410 472 F HA 0.378 4.536 4.527 -0.615 0.000 0.348 472 F C 1.014 176.828 175.800 0.023 0.000 1.106 472 F CA -0.197 57.813 58.000 0.016 0.000 1.163 472 F CB 0.758 39.774 39.000 0.027 0.000 1.129 472 F HN -0.146 nan 8.300 nan 0.000 0.516 473 R N 1.847 122.434 120.500 0.146 0.000 2.651 473 R HA 0.503 4.478 4.340 -0.608 0.000 0.278 473 R C -1.663 174.746 176.300 0.181 0.000 1.010 473 R CA -0.963 55.229 56.100 0.153 0.000 0.896 473 R CB 2.028 32.419 30.300 0.151 0.000 1.211 473 R HN 0.359 nan 8.270 nan 0.000 0.456 474 V N 3.196 123.199 119.914 0.149 0.000 2.364 474 V HA 0.139 3.894 4.120 -0.608 0.000 0.272 474 V C 0.478 176.737 176.094 0.275 0.000 1.036 474 V CA -0.395 62.003 62.300 0.164 0.000 0.880 474 V CB 1.127 32.989 31.823 0.066 0.000 0.991 474 V HN 0.729 nan 8.190 nan 0.000 0.460 475 W N 2.328 123.668 121.300 0.065 0.000 2.436 475 W HA 0.006 4.318 4.660 -0.580 0.000 0.284 475 W C 1.103 177.683 176.519 0.101 0.000 1.225 475 W CA -0.260 57.201 57.345 0.194 0.000 1.271 475 W CB -0.705 29.007 29.460 0.420 0.000 1.114 475 W HN 0.539 nan 8.180 nan 0.000 0.559 476 N N 0.193 118.972 118.700 0.131 0.000 2.395 476 N HA -0.026 4.349 4.740 -0.608 0.000 0.246 476 N C 1.328 176.686 175.510 -0.255 0.000 1.246 476 N CA 0.998 53.815 53.050 -0.389 0.000 0.879 476 N CB 0.528 38.855 38.487 -0.267 0.000 1.098 476 N HN -0.075 nan 8.380 nan 0.000 0.444 477 S N 0.619 116.131 115.700 -0.314 0.000 2.436 477 S HA -0.032 4.073 4.470 -0.608 0.000 0.228 477 S C 0.277 174.770 174.600 -0.178 0.000 1.014 477 S CA 0.614 58.707 58.200 -0.178 0.000 0.950 477 S CB 0.047 63.192 63.200 -0.092 0.000 0.784 477 S HN 0.661 nan 8.310 nan 0.000 0.504 478 Q N -0.660 119.015 119.800 -0.209 0.000 2.421 478 Q HA 0.512 4.487 4.340 -0.608 0.000 0.280 478 Q C 0.183 176.035 176.000 -0.245 0.000 1.085 478 Q CA -0.541 55.133 55.803 -0.216 0.000 0.807 478 Q CB 2.001 30.649 28.738 -0.149 0.000 1.405 478 Q HN 0.086 nan 8.270 nan 0.000 0.419 479 L N 0.650 121.724 121.223 -0.248 0.000 2.079 479 L HA -0.039 3.937 4.340 -0.608 0.000 0.210 479 L C 0.519 177.231 176.870 -0.263 0.000 1.081 479 L CA 1.405 56.114 54.840 -0.218 0.000 0.752 479 L CB -0.047 41.882 42.059 -0.217 0.000 0.896 479 L HN 0.495 nan 8.230 nan 0.000 0.433 480 I N -0.164 120.159 120.570 -0.412 0.000 2.439 480 I HA 0.354 4.160 4.170 -0.608 0.000 0.285 480 I C -0.385 175.138 176.117 -0.990 0.000 1.021 480 I CA -0.328 60.574 61.300 -0.663 0.000 1.091 480 I CB 1.476 39.015 38.000 -0.768 0.000 1.242 480 I HN 0.067 nan 8.210 nan 0.000 0.439 481 R N 4.460 124.532 120.500 -0.715 0.000 2.680 481 R HA 0.463 4.438 4.340 -0.608 0.000 0.269 481 R C -1.679 174.421 176.300 -0.333 0.000 1.026 481 R CA -1.016 54.770 56.100 -0.523 0.000 0.889 481 R CB 2.617 32.795 30.300 -0.203 0.000 1.241 481 R HN 0.398 nan 8.270 nan 0.000 0.463 482 Y N 0.519 120.864 120.300 0.075 0.000 2.310 482 Y HA 0.400 4.585 4.550 -0.607 0.000 0.326 482 Y C 0.999 176.984 175.900 0.141 0.000 1.151 482 Y CA -0.674 57.529 58.100 0.172 0.000 1.195 482 Y CB 1.344 40.001 38.460 0.328 0.000 1.210 482 Y HN 0.637 nan 8.280 nan 0.000 0.483 483 A N 1.946 124.950 122.820 0.307 0.000 2.492 483 A HA 0.498 4.454 4.320 -0.608 0.000 0.236 483 A C 0.508 178.030 177.584 -0.104 0.000 1.078 483 A CA 0.415 52.481 52.037 0.047 0.000 0.773 483 A CB -0.277 18.772 19.000 0.082 0.000 1.023 483 A HN 0.902 nan 8.150 nan 0.000 0.504 484 G N -0.276 108.313 108.800 -0.352 0.000 2.687 484 G HA2 0.583 4.178 3.960 -0.608 0.000 0.301 484 G HA3 0.583 4.178 3.960 -0.608 0.000 0.301 484 G C -1.432 173.213 174.900 -0.425 0.000 1.416 484 G CA -0.309 44.625 45.100 -0.277 0.000 1.005 484 G HN 0.544 nan 8.290 nan 0.000 0.509 485 Y N 1.059 121.382 120.300 0.038 0.000 2.361 485 Y HA 0.447 4.631 4.550 -0.610 0.000 0.337 485 Y C 0.584 176.487 175.900 0.005 0.000 0.965 485 Y CA -1.063 57.054 58.100 0.028 0.000 1.091 485 Y CB 2.220 40.696 38.460 0.027 0.000 1.182 485 Y HN 0.259 nan 8.280 nan 0.000 0.450 486 K N 3.359 123.842 120.400 0.139 0.000 2.270 486 K HA 0.291 4.247 4.320 -0.608 0.000 0.276 486 K C -0.630 176.015 176.600 0.076 0.000 1.023 486 K CA -0.362 55.973 56.287 0.080 0.000 0.955 486 K CB 0.807 33.336 32.500 0.049 0.000 0.975 486 K HN 0.714 nan 8.250 nan 0.000 0.471 487 Q N 2.115 121.942 119.800 0.046 0.000 2.387 487 Q HA 0.198 4.173 4.340 -0.608 0.000 0.273 487 Q C -1.852 174.155 176.000 0.012 0.000 1.089 487 Q CA -2.086 53.732 55.803 0.024 0.000 0.824 487 Q CB 1.565 30.312 28.738 0.015 0.000 1.367 487 Q HN 0.278 nan 8.270 nan 0.000 0.443 488 P HA -0.266 nan 4.420 nan 0.000 0.215 488 P C 0.709 178.008 177.300 -0.002 0.000 1.163 488 P CA 1.639 64.738 63.100 -0.002 0.000 0.894 488 P CB 0.176 31.871 31.700 -0.009 0.000 0.791 489 D N -1.607 118.791 120.400 -0.004 0.000 2.286 489 D HA -0.211 4.065 4.640 -0.608 0.000 0.195 489 D C 1.536 177.837 176.300 0.001 0.000 1.012 489 D CA 2.430 56.428 54.000 -0.003 0.000 0.901 489 D CB -0.761 40.037 40.800 -0.004 0.000 0.903 489 D HN 0.296 nan 8.370 nan 0.000 0.451 490 G N -1.675 107.128 108.800 0.005 0.000 2.284 490 G HA2 -0.267 3.329 3.960 -0.608 0.000 0.216 490 G HA3 -0.267 3.329 3.960 -0.608 0.000 0.216 490 G C 0.577 175.482 174.900 0.010 0.000 1.009 490 G CA 0.754 45.858 45.100 0.007 0.000 0.625 490 G HN 0.822 nan 8.290 nan 0.000 0.501 491 S N -0.338 115.367 115.700 0.009 0.000 2.607 491 S HA 0.766 4.871 4.470 -0.608 0.000 0.272 491 S C 0.036 174.645 174.600 0.014 0.000 1.166 491 S CA 0.620 58.825 58.200 0.009 0.000 1.021 491 S CB 1.601 64.805 63.200 0.006 0.000 1.113 491 S HN 0.678 nan 8.310 nan 0.000 0.531 492 T N 1.160 115.719 114.554 0.008 0.000 2.841 492 T HA 0.570 4.556 4.350 -0.608 0.000 0.283 492 T C -1.157 173.550 174.700 0.010 0.000 1.000 492 T CA -0.477 61.630 62.100 0.011 0.000 0.977 492 T CB 1.212 70.072 68.868 -0.014 0.000 0.979 492 T HN 0.570 nan 8.240 nan 0.000 0.446 493 L N 3.400 124.659 121.223 0.061 0.000 2.296 493 L HA 0.749 4.724 4.340 -0.608 0.000 0.286 493 L C 0.642 177.570 176.870 0.096 0.000 1.023 493 L CA 1.046 55.933 54.840 0.078 0.000 0.812 493 L CB 0.099 42.224 42.059 0.110 0.000 1.223 493 L HN 0.980 nan 8.230 nan 0.000 0.421 494 G N 3.927 112.712 108.800 -0.024 0.000 2.512 494 G HA2 -0.244 3.352 3.960 -0.608 0.000 0.240 494 G HA3 -0.244 3.352 3.960 -0.608 0.000 0.240 494 G C -0.668 173.952 174.900 -0.467 0.000 1.246 494 G CA 0.012 45.056 45.100 -0.095 0.000 0.919 494 G HN 0.842 nan 8.290 nan 0.000 0.577 495 D N 1.762 121.997 120.400 -0.274 0.000 2.365 495 D HA 0.496 4.771 4.640 -0.608 0.000 0.237 495 D C -0.947 175.273 176.300 -0.133 0.000 1.190 495 D CA -1.778 52.042 54.000 -0.300 0.000 0.867 495 D CB 1.266 42.206 40.800 0.233 0.000 1.050 495 D HN 0.011 nan 8.370 nan 0.000 0.491 496 P HA -0.024 nan 4.420 nan 0.000 0.226 496 P C 0.875 178.181 177.300 0.010 0.000 1.153 496 P CA 0.542 63.607 63.100 -0.058 0.000 0.777 496 P CB 0.256 31.923 31.700 -0.055 0.000 0.794 497 A N -0.228 122.620 122.820 0.048 0.000 2.121 497 A HA -0.128 3.828 4.320 -0.608 0.000 0.218 497 A C 1.730 179.377 177.584 0.105 0.000 1.154 497 A CA 1.399 53.492 52.037 0.094 0.000 0.679 497 A CB -0.795 18.287 19.000 0.136 0.000 0.795 497 A HN 0.152 nan 8.150 nan 0.000 0.458 498 N N -0.831 117.922 118.700 0.088 0.000 2.177 498 N HA 0.121 4.496 4.740 -0.608 0.000 0.218 498 N C 1.189 176.736 175.510 0.063 0.000 1.182 498 N CA 0.302 53.416 53.050 0.106 0.000 0.882 498 N CB 0.647 39.205 38.487 0.117 0.000 1.052 498 N HN 0.175 nan 8.380 nan 0.000 0.519 499 V N 1.393 121.316 119.914 0.016 0.000 2.250 499 V HA -0.308 3.447 4.120 -0.608 0.000 0.250 499 V C 2.607 178.679 176.094 -0.035 0.000 1.060 499 V CA 1.939 64.222 62.300 -0.029 0.000 1.030 499 V CB -0.443 31.376 31.823 -0.008 0.000 0.643 499 V HN 0.371 nan 8.190 nan 0.000 0.445 500 Q N -1.170 118.622 119.800 -0.013 0.000 2.061 500 Q HA -0.253 3.723 4.340 -0.608 0.000 0.204 500 Q C 2.153 178.022 176.000 -0.218 0.000 0.984 500 Q CA 2.350 58.097 55.803 -0.094 0.000 0.846 500 Q CB -0.213 28.497 28.738 -0.045 0.000 0.902 500 Q HN 0.648 nan 8.270 nan 0.000 0.421 501 F N 0.624 120.385 119.950 -0.315 0.000 2.146 501 F HA -0.158 4.001 4.527 -0.614 0.000 0.298 501 F C 2.144 177.811 175.800 -0.222 0.000 1.096 501 F CA 1.837 59.624 58.000 -0.355 0.000 1.275 501 F CB -0.472 38.426 39.000 -0.170 0.000 1.008 501 F HN -0.002 nan 8.300 nan 0.000 0.480 502 T N -0.078 114.409 114.554 -0.112 0.000 2.803 502 T HA -0.196 3.789 4.350 -0.608 0.000 0.269 502 T C 1.752 176.367 174.700 -0.142 0.000 1.052 502 T CA 1.734 63.732 62.100 -0.169 0.000 1.136 502 T CB -0.309 68.443 68.868 -0.194 0.000 0.864 502 T HN 0.417 nan 8.240 nan 0.000 0.467 503 E N 0.341 120.451 120.200 -0.151 0.000 2.072 503 E HA 0.025 4.011 4.350 -0.608 0.000 0.190 503 E C 2.174 178.673 176.600 -0.168 0.000 0.982 503 E CA 0.639 56.974 56.400 -0.110 0.000 0.803 503 E CB -0.148 29.493 29.700 -0.097 0.000 0.755 503 E HN 0.459 nan 8.360 nan 0.000 0.453 504 I N 0.781 121.181 120.570 -0.285 0.000 2.286 504 I HA -0.333 3.472 4.170 -0.608 0.000 0.248 504 I C 2.374 178.319 176.117 -0.287 0.000 1.115 504 I CA 0.641 61.769 61.300 -0.286 0.000 1.392 504 I CB -0.239 37.561 38.000 -0.334 0.000 1.065 504 I HN 0.271 nan 8.210 nan 0.000 0.418 505 C N 0.727 119.780 119.300 -0.413 0.000 2.432 505 C HA -0.142 3.954 4.460 -0.608 0.000 0.277 505 C C 2.702 177.670 174.990 -0.037 0.000 1.249 505 C CA 0.586 59.408 59.018 -0.327 0.000 1.725 505 C CB -0.822 26.600 27.740 -0.530 0.000 2.028 505 C HN 0.433 nan 8.230 nan 0.000 0.477 506 I N 0.505 121.110 120.570 0.058 0.000 2.286 506 I HA -0.262 3.543 4.170 -0.608 0.000 0.248 506 I C 2.734 178.846 176.117 -0.008 0.000 1.115 506 I CA 1.535 62.896 61.300 0.102 0.000 1.392 506 I CB -0.657 37.410 38.000 0.111 0.000 1.065 506 I HN 0.463 nan 8.210 nan 0.000 0.418 507 Q N 0.475 120.233 119.800 -0.070 0.000 2.291 507 Q HA -0.212 3.764 4.340 -0.608 0.000 0.206 507 Q C 1.838 177.755 176.000 -0.137 0.000 0.976 507 Q CA 1.113 56.846 55.803 -0.115 0.000 0.875 507 Q CB 0.211 28.855 28.738 -0.157 0.000 0.927 507 Q HN 0.469 nan 8.270 nan 0.000 0.450 508 Q N -1.577 118.148 119.800 -0.124 0.000 2.319 508 Q HA 0.131 4.106 4.340 -0.608 0.000 0.202 508 Q C 0.687 176.640 176.000 -0.078 0.000 0.896 508 Q CA 0.818 56.546 55.803 -0.124 0.000 0.942 508 Q CB 1.540 30.192 28.738 -0.144 0.000 1.083 508 Q HN 0.548 nan 8.270 nan 0.000 0.510 509 G N 0.249 109.029 108.800 -0.034 0.000 2.175 509 G HA2 -0.199 3.397 3.960 -0.608 0.000 0.182 509 G HA3 -0.199 3.397 3.960 -0.608 0.000 0.182 509 G C -0.574 174.359 174.900 0.055 0.000 1.003 509 G CA -0.321 44.771 45.100 -0.013 0.000 0.666 509 G HN 0.267 nan 8.290 nan 0.000 0.506 510 W N 2.918 124.151 121.300 -0.111 0.000 2.308 510 W HA 0.604 4.895 4.660 -0.616 0.000 0.324 510 W C 0.449 176.940 176.519 -0.046 0.000 1.387 510 W CA -0.484 56.810 57.345 -0.084 0.000 1.250 510 W CB 0.485 29.892 29.460 -0.088 0.000 1.257 510 W HN 0.072 nan 8.180 nan 0.000 0.554 511 K N 6.071 126.219 120.400 -0.420 0.000 2.250 511 K HA 0.442 4.397 4.320 -0.608 0.000 0.285 511 K C 0.169 176.181 176.600 -0.980 0.000 1.097 511 K CA -0.359 55.630 56.287 -0.498 0.000 0.913 511 K CB 0.295 32.612 32.500 -0.306 0.000 1.179 511 K HN 0.463 nan 8.250 nan 0.000 0.462 512 A N 4.282 126.548 122.820 -0.924 0.000 2.409 512 A HA 0.237 4.192 4.320 -0.608 0.000 0.262 512 A C -1.554 175.699 177.584 -0.552 0.000 1.113 512 A CA -1.209 50.178 52.037 -1.083 0.000 0.790 512 A CB 0.155 18.944 19.000 -0.352 0.000 1.046 512 A HN 0.507 nan 8.150 nan 0.000 0.496 513 P HA -0.016 nan 4.420 nan 0.000 0.229 513 P C -0.033 177.128 177.300 -0.231 0.000 1.160 513 P CA 0.134 63.105 63.100 -0.215 0.000 0.777 513 P CB 0.060 31.716 31.700 -0.074 0.000 0.814 514 R N -1.058 119.226 120.500 -0.359 0.000 3.267 514 R HA -0.105 3.871 4.340 -0.608 0.000 0.254 514 R C 0.627 176.716 176.300 -0.352 0.000 0.993 514 R CA 0.336 55.982 56.100 -0.757 0.000 0.670 514 R CB -2.283 27.610 30.300 -0.679 0.000 1.125 514 R HN 0.359 nan 8.270 nan 0.000 0.434 515 G N -0.762 107.993 108.800 -0.075 0.000 2.820 515 G HA2 0.406 4.001 3.960 -0.608 0.000 0.291 515 G HA3 0.406 4.001 3.960 -0.608 0.000 0.291 515 G C 0.258 175.235 174.900 0.128 0.000 1.323 515 G CA -0.570 44.551 45.100 0.035 0.000 1.055 515 G HN 0.212 nan 8.290 nan 0.000 0.520 516 R N -1.521 119.009 120.500 0.049 0.000 2.161 516 R HA 0.184 4.159 4.340 -0.608 0.000 0.213 516 R C 0.021 176.094 176.300 -0.379 0.000 1.055 516 R CA 0.711 56.727 56.100 -0.140 0.000 0.996 516 R CB -0.060 30.099 30.300 -0.235 0.000 0.901 516 R HN 0.375 nan 8.270 nan 0.000 0.456 517 F N 1.137 121.123 119.950 0.060 0.000 2.623 517 F HA 0.252 4.414 4.527 -0.610 0.000 0.361 517 F C -1.085 174.764 175.800 0.081 0.000 1.469 517 F CA -1.086 56.765 58.000 -0.249 0.000 1.126 517 F CB 0.953 39.639 39.000 -0.523 0.000 1.221 517 F HN -0.204 nan 8.300 nan 0.000 0.536 518 D N 1.741 122.408 120.400 0.446 0.000 2.339 518 D HA 0.153 4.428 4.640 -0.608 0.000 0.241 518 D C 0.276 176.928 176.300 0.587 0.000 1.183 518 D CA 0.073 54.385 54.000 0.519 0.000 0.859 518 D CB 1.873 43.019 40.800 0.577 0.000 1.067 518 D HN -0.061 nan 8.370 nan 0.000 0.484 519 V N 3.675 123.887 119.914 0.497 0.000 2.509 519 V HA -0.090 3.665 4.120 -0.608 0.000 0.297 519 V C 1.093 177.284 176.094 0.161 0.000 1.014 519 V CA 0.012 62.463 62.300 0.252 0.000 1.127 519 V CB -0.113 31.800 31.823 0.150 0.000 0.925 519 V HN 0.366 nan 8.190 nan 0.000 0.480 520 L N 8.545 129.756 121.223 -0.021 0.000 2.452 520 L HA 0.297 4.273 4.340 -0.608 0.000 0.267 520 L C -1.688 175.018 176.870 -0.273 0.000 1.188 520 L CA -1.350 53.337 54.840 -0.255 0.000 0.821 520 L CB 0.639 42.633 42.059 -0.107 0.000 1.102 520 L HN 0.478 nan 8.230 nan 0.000 0.470 521 P HA 0.170 nan 4.420 nan 0.000 0.276 521 P C -0.822 176.411 177.300 -0.110 0.000 1.244 521 P CA -0.440 62.459 63.100 -0.334 0.000 0.801 521 P CB 0.803 32.131 31.700 -0.620 0.000 1.006 522 L N 1.630 122.865 121.223 0.020 0.000 2.436 522 L HA 0.310 4.286 4.340 -0.608 0.000 0.265 522 L C 0.760 177.692 176.870 0.102 0.000 1.168 522 L CA -0.331 54.581 54.840 0.120 0.000 0.815 522 L CB 0.121 42.297 42.059 0.195 0.000 1.109 522 L HN 0.268 nan 8.230 nan 0.000 0.462 523 L N 4.446 125.759 121.223 0.151 0.000 2.442 523 L HA 0.456 4.432 4.340 -0.608 0.000 0.261 523 L C -1.060 175.786 176.870 -0.041 0.000 1.000 523 L CA -0.277 54.567 54.840 0.007 0.000 0.882 523 L CB 1.019 43.122 42.059 0.074 0.000 1.207 523 L HN 0.495 nan 8.230 nan 0.000 0.443 524 L N 3.752 124.947 121.223 -0.047 0.000 2.307 524 L HA 0.496 4.472 4.340 -0.608 0.000 0.284 524 L C -0.244 176.518 176.870 -0.181 0.000 1.023 524 L CA -0.389 54.424 54.840 -0.044 0.000 0.810 524 L CB 1.901 43.986 42.059 0.043 0.000 1.231 524 L HN 0.538 nan 8.230 nan 0.000 0.423 525 Q N 2.980 122.675 119.800 -0.175 0.000 2.348 525 Q HA 0.667 4.642 4.340 -0.608 0.000 0.265 525 Q C -1.287 174.555 176.000 -0.264 0.000 0.998 525 Q CA -0.609 55.054 55.803 -0.234 0.000 0.831 525 Q CB 1.948 30.607 28.738 -0.131 0.000 1.251 525 Q HN 0.773 nan 8.270 nan 0.000 0.456 526 A N 4.348 126.949 122.820 -0.365 0.000 2.304 526 A HA 0.359 4.315 4.320 -0.608 0.000 0.323 526 A C 0.274 177.357 177.584 -0.834 0.000 1.195 526 A CA -0.348 51.246 52.037 -0.737 0.000 0.826 526 A CB 0.617 19.430 19.000 -0.312 0.000 1.184 526 A HN 1.111 nan 8.150 nan 0.000 0.496 527 N N 1.022 118.835 118.700 -1.479 0.000 2.725 527 N HA -0.241 4.135 4.740 -0.608 0.000 0.249 527 N C 0.965 176.270 175.510 -0.341 0.000 1.103 527 N CA 1.459 54.108 53.050 -0.669 0.000 0.707 527 N CB -0.723 37.587 38.487 -0.295 0.000 1.043 527 N HN 2.210 nan 8.380 nan 0.000 0.553 528 G N -1.157 107.450 108.800 -0.321 0.000 2.168 528 G HA2 -0.327 3.269 3.960 -0.608 0.000 0.263 528 G HA3 -0.327 3.269 3.960 -0.608 0.000 0.263 528 G C 0.197 175.022 174.900 -0.125 0.000 0.977 528 G CA 0.596 45.589 45.100 -0.179 0.000 0.659 528 G HN 0.580 nan 8.290 nan 0.000 0.533 529 N N 1.113 119.694 118.700 -0.198 0.000 2.381 529 N HA 0.317 4.693 4.740 -0.608 0.000 0.254 529 N C 0.055 175.443 175.510 -0.204 0.000 1.264 529 N CA -0.373 52.593 53.050 -0.140 0.000 0.942 529 N CB 0.299 38.705 38.487 -0.136 0.000 1.190 529 N HN 0.167 nan 8.380 nan 0.000 0.495 530 D N 1.272 121.595 120.400 -0.129 0.000 2.488 530 D HA 0.078 4.353 4.640 -0.608 0.000 0.238 530 D C -1.834 174.246 176.300 -0.367 0.000 1.138 530 D CA -0.279 53.562 54.000 -0.265 0.000 0.873 530 D CB 0.059 40.861 40.800 0.003 0.000 1.183 530 D HN 0.287 nan 8.370 nan 0.000 0.458 531 P HA 0.209 nan 4.420 nan 0.000 0.276 531 P C -0.671 176.399 177.300 -0.383 0.000 1.244 531 P CA -0.379 62.351 63.100 -0.617 0.000 0.801 531 P CB 1.281 32.219 31.700 -1.270 0.000 1.006 532 E N 0.408 120.416 120.200 -0.319 0.000 2.312 532 E HA 0.506 4.491 4.350 -0.608 0.000 0.267 532 E C -0.619 175.688 176.600 -0.489 0.000 0.894 532 E CA -0.982 55.194 56.400 -0.373 0.000 0.773 532 E CB 1.710 31.171 29.700 -0.399 0.000 1.241 532 E HN 0.322 nan 8.360 nan 0.000 0.432 533 L N 1.954 122.803 121.223 -0.623 0.000 2.334 533 L HA 0.528 4.503 4.340 -0.608 0.000 0.277 533 L C -0.961 175.325 176.870 -0.974 0.000 1.075 533 L CA -0.425 54.081 54.840 -0.556 0.000 0.804 533 L CB 0.368 42.222 42.059 -0.342 0.000 1.174 533 L HN 0.465 nan 8.230 nan 0.000 0.438 534 F N 0.443 120.192 119.950 -0.334 0.000 2.588 534 F HA 0.279 3.659 4.527 -1.912 0.000 0.314 534 F C -0.184 175.433 175.800 -0.304 0.000 1.134 534 F CA -0.820 56.863 58.000 -0.529 0.000 0.961 534 F CB 1.797 40.128 39.000 -1.115 0.000 1.239 534 F HN 0.281 nan 8.300 nan 0.000 0.448 535 Q N 3.309 123.090 119.800 -0.031 0.000 2.294 535 Q HA 0.470 4.446 4.340 -0.608 0.000 0.257 535 Q C -0.498 175.648 176.000 0.243 0.000 0.955 535 Q CA -0.094 55.775 55.803 0.109 0.000 0.936 535 Q CB 0.671 29.502 28.738 0.155 0.000 1.188 535 Q HN 0.574 nan 8.270 nan 0.000 0.420 536 I N 6.883 127.631 120.570 0.297 0.000 2.752 536 I HA 0.007 3.812 4.170 -0.608 0.000 0.289 536 I C -1.764 174.488 176.117 0.226 0.000 1.197 536 I CA -1.490 60.001 61.300 0.319 0.000 1.432 536 I CB 0.233 38.328 38.000 0.159 0.000 1.359 536 I HN 0.537 nan 8.210 nan 0.000 0.571 537 P HA -0.005 nan 4.420 nan 0.000 0.260 537 P C -1.948 175.416 177.300 0.107 0.000 1.185 537 P CA -0.700 62.490 63.100 0.149 0.000 0.763 537 P CB 0.098 31.865 31.700 0.112 0.000 0.776 538 P HA -0.236 nan 4.420 nan 0.000 0.217 538 P C 1.397 178.739 177.300 0.070 0.000 1.151 538 P CA 1.466 64.622 63.100 0.092 0.000 0.849 538 P CB -0.223 31.534 31.700 0.094 0.000 0.787 539 E N -0.028 120.208 120.200 0.061 0.000 2.401 539 E HA -0.137 3.848 4.350 -0.608 0.000 0.199 539 E C 1.502 178.124 176.600 0.037 0.000 1.023 539 E CA 0.984 57.411 56.400 0.044 0.000 0.859 539 E CB -0.965 28.758 29.700 0.038 0.000 0.780 539 E HN 0.334 nan 8.360 nan 0.000 0.523 540 L N 0.734 121.981 121.223 0.040 0.000 2.554 540 L HA 0.140 4.115 4.340 -0.608 0.000 0.225 540 L C 0.641 177.530 176.870 0.032 0.000 1.104 540 L CA -0.066 54.791 54.840 0.029 0.000 0.866 540 L CB 0.589 42.658 42.059 0.017 0.000 1.047 540 L HN -0.117 nan 8.230 nan 0.000 0.468 541 V N 2.670 122.607 119.914 0.039 0.000 2.299 541 V HA 0.106 3.862 4.120 -0.608 0.000 0.255 541 V C 0.129 176.255 176.094 0.053 0.000 1.100 541 V CA -0.514 61.809 62.300 0.037 0.000 0.938 541 V CB 0.805 32.649 31.823 0.035 0.000 1.139 541 V HN 0.090 nan 8.190 nan 0.000 0.490 542 L N 5.333 126.588 121.223 0.052 0.000 2.477 542 L HA 0.356 4.331 4.340 -0.608 0.000 0.272 542 L C 0.180 177.085 176.870 0.058 0.000 1.157 542 L CA 0.795 55.659 54.840 0.040 0.000 0.889 542 L CB 0.023 42.098 42.059 0.026 0.000 1.158 542 L HN 0.633 nan 8.230 nan 0.000 0.473 543 E N 3.341 123.563 120.200 0.037 0.000 2.263 543 E HA 0.611 4.596 4.350 -0.608 0.000 0.264 543 E C -1.365 175.202 176.600 -0.054 0.000 0.923 543 E CA -1.050 55.378 56.400 0.046 0.000 0.802 543 E CB 2.409 32.169 29.700 0.101 0.000 1.228 543 E HN 0.421 nan 8.360 nan 0.000 0.417 544 V N 3.443 123.305 119.914 -0.086 0.000 2.376 544 V HA 0.292 4.047 4.120 -0.608 0.000 0.287 544 V C -2.314 173.764 176.094 -0.026 0.000 1.015 544 V CA -1.957 60.242 62.300 -0.168 0.000 0.834 544 V CB 1.281 32.784 31.823 -0.533 0.000 1.001 544 V HN 0.546 nan 8.190 nan 0.000 0.428 545 P HA 0.231 nan 4.420 nan 0.000 0.271 545 P C -0.774 176.582 177.300 0.094 0.000 1.216 545 P CA -0.087 63.027 63.100 0.024 0.000 0.771 545 P CB 0.859 32.570 31.700 0.018 0.000 0.864 546 I N 4.723 125.392 120.570 0.164 0.000 2.304 546 I HA 0.310 4.116 4.170 -0.608 0.000 0.291 546 I C 1.148 177.480 176.117 0.357 0.000 1.018 546 I CA -0.400 61.070 61.300 0.283 0.000 1.260 546 I CB 0.313 38.559 38.000 0.410 0.000 1.390 546 I HN 0.412 nan 8.210 nan 0.000 0.475 547 R N 5.146 125.824 120.500 0.296 0.000 2.888 547 R HA 0.529 4.504 4.340 -0.608 0.000 0.266 547 R C -1.037 175.319 176.300 0.093 0.000 1.020 547 R CA -0.696 55.579 56.100 0.292 0.000 0.963 547 R CB 2.029 32.475 30.300 0.245 0.000 1.197 547 R HN 0.550 nan 8.270 nan 0.000 0.481 548 H N 1.733 120.685 119.070 -0.197 0.000 2.457 548 H HA 0.293 4.484 4.556 -0.608 0.000 0.335 548 H C -1.729 173.264 175.328 -0.559 0.000 1.115 548 H CA -2.045 53.712 56.048 -0.486 0.000 1.219 548 H CB 2.390 31.769 29.762 -0.639 0.000 1.471 548 H HN 0.330 nan 8.280 nan 0.000 0.491 549 P HA -0.041 nan 4.420 nan 0.000 0.226 549 P C 0.321 177.342 177.300 -0.465 0.000 1.153 549 P CA 1.129 63.565 63.100 -1.107 0.000 0.777 549 P CB 0.725 31.637 31.700 -1.312 0.000 0.794 550 K N -1.761 118.513 120.400 -0.210 0.000 2.424 550 K HA 0.181 4.137 4.320 -0.608 0.000 0.198 550 K C 0.546 176.958 176.600 -0.314 0.000 1.190 550 K CA -0.005 56.115 56.287 -0.277 0.000 0.935 550 K CB 0.227 32.474 32.500 -0.421 0.000 1.087 550 K HN 0.071 nan 8.250 nan 0.000 0.524 551 F N 3.138 122.925 119.950 -0.273 0.000 2.405 551 F HA 0.066 4.228 4.527 -0.608 0.000 0.358 551 F C 0.976 176.457 175.800 -0.531 0.000 1.151 551 F CA -0.808 56.794 58.000 -0.664 0.000 1.161 551 F CB 0.642 38.832 39.000 -1.350 0.000 1.245 551 F HN -0.032 nan 8.300 nan 0.000 0.545 552 D N 3.888 124.218 120.400 -0.116 0.000 2.126 552 D HA -0.245 4.030 4.640 -0.608 0.000 0.190 552 D C 2.161 178.479 176.300 0.029 0.000 1.001 552 D CA 1.624 55.620 54.000 -0.005 0.000 0.841 552 D CB -0.225 40.627 40.800 0.087 0.000 0.949 552 D HN 0.703 nan 8.370 nan 0.000 0.446 553 W N 0.244 121.644 121.300 0.167 0.000 2.468 553 W HA -0.127 4.168 4.660 -0.608 0.000 0.262 553 W C 1.860 178.457 176.519 0.130 0.000 1.241 553 W CA -0.215 57.192 57.345 0.104 0.000 1.232 553 W CB -1.387 28.090 29.460 0.027 0.000 1.124 553 W HN -0.115 nan 8.180 nan 0.000 0.597 554 F N 3.786 123.581 119.950 -0.259 0.000 2.091 554 F HA -0.314 3.848 4.527 -0.608 0.000 0.299 554 F C 2.819 178.675 175.800 0.093 0.000 1.103 554 F CA 3.489 61.415 58.000 -0.122 0.000 1.228 554 F CB -0.360 38.473 39.000 -0.278 0.000 0.984 554 F HN -0.122 nan 8.300 nan 0.000 0.477 555 K N -0.375 120.179 120.400 0.257 0.000 2.160 555 K HA -0.231 3.724 4.320 -0.608 0.000 0.206 555 K C 1.386 178.049 176.600 0.105 0.000 1.047 555 K CA 1.997 58.394 56.287 0.183 0.000 0.930 555 K CB -0.694 31.902 32.500 0.159 0.000 0.720 555 K HN 0.195 nan 8.250 nan 0.000 0.450 556 D N 1.321 121.791 120.400 0.117 0.000 2.309 556 D HA -0.073 4.203 4.640 -0.608 0.000 0.212 556 D C 1.825 178.151 176.300 0.043 0.000 0.968 556 D CA 0.696 54.749 54.000 0.089 0.000 0.882 556 D CB -0.079 40.793 40.800 0.119 0.000 0.918 556 D HN 0.281 nan 8.370 nan 0.000 0.503 557 L N -0.335 120.882 121.223 -0.010 0.000 2.362 557 L HA -0.003 3.973 4.340 -0.608 0.000 0.219 557 L C 1.547 178.409 176.870 -0.014 0.000 1.134 557 L CA 0.722 55.520 54.840 -0.070 0.000 0.807 557 L CB -0.407 41.502 42.059 -0.250 0.000 0.927 557 L HN 0.136 nan 8.230 nan 0.000 0.447 558 G N 0.559 109.368 108.800 0.015 0.000 2.176 558 G HA2 -0.272 3.323 3.960 -0.608 0.000 0.252 558 G HA3 -0.272 3.323 3.960 -0.608 0.000 0.252 558 G C 0.056 174.989 174.900 0.055 0.000 1.024 558 G CA -0.174 44.962 45.100 0.060 0.000 0.755 558 G HN 0.240 nan 8.290 nan 0.000 0.507 559 L N -0.103 121.105 121.223 -0.024 0.000 2.326 559 L HA 0.676 4.652 4.340 -0.608 0.000 0.278 559 L C 0.683 177.450 176.870 -0.172 0.000 1.092 559 L CA -0.421 54.354 54.840 -0.107 0.000 0.810 559 L CB 1.283 43.248 42.059 -0.157 0.000 1.153 559 L HN 0.458 nan 8.230 nan 0.000 0.439 560 K N 2.078 122.188 120.400 -0.484 0.000 2.508 560 K HA 0.533 4.488 4.320 -0.608 0.000 0.260 560 K C -1.832 174.794 176.600 0.044 0.000 0.949 560 K CA -0.999 55.148 56.287 -0.233 0.000 0.834 560 K CB 2.556 34.856 32.500 -0.334 0.000 1.365 560 K HN 0.537 nan 8.250 nan 0.000 0.437 561 W N 2.692 124.011 121.300 0.032 0.000 3.029 561 W HA 0.374 4.673 4.660 -0.602 0.000 0.339 561 W C -1.090 175.550 176.519 0.202 0.000 1.198 561 W CA -0.953 56.482 57.345 0.151 0.000 1.148 561 W CB 1.819 31.263 29.460 -0.028 0.000 1.451 561 W HN 0.720 nan 8.180 nan 0.000 0.564 562 Y N 0.089 120.358 120.300 -0.052 0.000 2.307 562 Y HA 0.546 4.735 4.550 -0.601 0.000 0.324 562 Y C 0.972 177.096 175.900 0.374 0.000 1.238 562 Y CA -0.165 57.957 58.100 0.037 0.000 1.280 562 Y CB 0.344 38.680 38.460 -0.206 0.000 1.248 562 Y HN 0.454 nan 8.280 nan 0.000 0.508 563 G N 1.610 110.653 108.800 0.405 0.000 2.551 563 G HA2 -0.006 3.589 3.960 -0.608 0.000 0.216 563 G HA3 -0.006 3.589 3.960 -0.608 0.000 0.216 563 G C -0.299 174.911 174.900 0.516 0.000 1.137 563 G CA 0.057 45.435 45.100 0.465 0.000 0.798 563 G HN 0.534 nan 8.290 nan 0.000 0.536 564 L N 2.511 123.993 121.223 0.431 0.000 2.277 564 L HA 0.483 4.459 4.340 -0.608 0.000 0.284 564 L C -2.321 174.654 176.870 0.174 0.000 1.028 564 L CA -2.586 52.400 54.840 0.243 0.000 0.835 564 L CB 1.805 43.954 42.059 0.149 0.000 1.215 564 L HN -0.171 nan 8.230 nan 0.000 0.425 565 P HA 0.398 nan 4.420 nan 0.000 0.293 565 P C -1.454 175.736 177.300 -0.183 0.000 1.300 565 P CA -0.422 62.524 63.100 -0.256 0.000 0.792 565 P CB 1.612 32.833 31.700 -0.799 0.000 0.925 566 A N 3.958 126.664 122.820 -0.191 0.000 2.679 566 A HA 0.378 4.334 4.320 -0.608 0.000 0.288 566 A C -0.559 176.771 177.584 -0.424 0.000 1.160 566 A CA -0.576 51.282 52.037 -0.298 0.000 0.763 566 A CB 0.650 19.501 19.000 -0.249 0.000 1.270 566 A HN 0.279 nan 8.150 nan 0.000 0.417 567 V N 2.864 122.352 119.914 -0.710 0.000 2.470 567 V HA 0.277 4.033 4.120 -0.608 0.000 0.276 567 V C 1.264 176.911 176.094 -0.745 0.000 1.040 567 V CA 1.189 63.029 62.300 -0.766 0.000 1.008 567 V CB 1.051 32.268 31.823 -1.010 0.000 0.990 567 V HN 1.107 nan 8.190 nan 0.000 0.477 568 S N 2.042 117.503 115.700 -0.399 0.000 2.701 568 S HA 0.054 4.160 4.470 -0.608 0.000 0.242 568 S C 0.788 175.303 174.600 -0.143 0.000 1.025 568 S CA 0.074 58.127 58.200 -0.245 0.000 1.016 568 S CB -0.382 62.712 63.200 -0.177 0.000 0.977 568 S HN 0.905 nan 8.310 nan 0.000 0.546 569 N N 0.357 118.958 118.700 -0.165 0.000 2.203 569 N HA 0.308 4.683 4.740 -0.608 0.000 0.207 569 N C 0.215 175.644 175.510 -0.134 0.000 1.130 569 N CA -0.488 52.471 53.050 -0.152 0.000 0.861 569 N CB 0.130 38.498 38.487 -0.198 0.000 1.005 569 N HN 0.280 nan 8.380 nan 0.000 0.507 570 M N 1.058 120.639 119.600 -0.032 0.000 2.494 570 M HA 0.363 4.479 4.480 -0.608 0.000 0.300 570 M C -0.743 175.658 176.300 0.168 0.000 1.189 570 M CA -0.854 54.496 55.300 0.084 0.000 0.982 570 M CB 2.195 34.927 32.600 0.219 0.000 1.534 570 M HN 0.082 nan 8.290 nan 0.000 0.488 571 L N 2.341 123.682 121.223 0.196 0.000 2.325 571 L HA 0.501 4.476 4.340 -0.608 0.000 0.281 571 L C -1.474 175.533 176.870 0.229 0.000 1.004 571 L CA -0.957 53.992 54.840 0.181 0.000 0.823 571 L CB 1.298 43.402 42.059 0.076 0.000 1.236 571 L HN 0.541 nan 8.230 nan 0.000 0.415 572 L N 5.159 126.523 121.223 0.235 0.000 2.265 572 L HA 0.425 4.400 4.340 -0.608 0.000 0.288 572 L C -0.405 176.515 176.870 0.083 0.000 1.058 572 L CA 0.348 55.222 54.840 0.057 0.000 0.809 572 L CB 1.220 43.314 42.059 0.060 0.000 1.179 572 L HN 0.688 nan 8.230 nan 0.000 0.429 573 E N 5.998 126.167 120.200 -0.052 0.000 2.129 573 E HA 0.462 4.447 4.350 -0.608 0.000 0.268 573 E C -1.466 175.082 176.600 -0.086 0.000 0.900 573 E CA -0.499 55.881 56.400 -0.034 0.000 0.755 573 E CB 0.939 30.612 29.700 -0.045 0.000 1.117 573 E HN 0.714 nan 8.360 nan 0.000 0.410 574 I N 3.107 123.634 120.570 -0.071 0.000 2.466 574 I HA 0.311 4.116 4.170 -0.608 0.000 0.289 574 I C 0.813 176.709 176.117 -0.368 0.000 1.026 574 I CA -0.713 60.417 61.300 -0.283 0.000 1.078 574 I CB 2.050 39.858 38.000 -0.319 0.000 1.249 574 I HN 0.838 nan 8.210 nan 0.000 0.429 575 G N 4.349 112.870 108.800 -0.464 0.000 2.421 575 G HA2 -0.104 3.491 3.960 -0.608 0.000 0.300 575 G HA3 -0.104 3.491 3.960 -0.608 0.000 0.300 575 G C 1.058 175.984 174.900 0.043 0.000 0.974 575 G CA 0.935 45.950 45.100 -0.141 0.000 1.062 575 G HN 1.554 nan 8.290 nan 0.000 0.514 576 G N -2.034 106.761 108.800 -0.009 0.000 2.225 576 G HA2 -0.256 3.339 3.960 -0.608 0.000 0.254 576 G HA3 -0.256 3.339 3.960 -0.608 0.000 0.254 576 G C 0.511 175.376 174.900 -0.059 0.000 0.988 576 G CA 0.539 45.646 45.100 0.011 0.000 0.625 576 G HN 1.285 nan 8.290 nan 0.000 0.527 577 L N 0.766 121.895 121.223 -0.156 0.000 2.350 577 L HA 0.574 4.549 4.340 -0.608 0.000 0.275 577 L C 0.288 176.927 176.870 -0.386 0.000 1.099 577 L CA -0.488 54.147 54.840 -0.342 0.000 0.808 577 L CB 1.120 42.856 42.059 -0.538 0.000 1.149 577 L HN 0.143 nan 8.230 nan 0.000 0.442 578 E N 2.946 122.859 120.200 -0.478 0.000 2.145 578 E HA 0.321 4.306 4.350 -0.608 0.000 0.262 578 E C -1.441 174.890 176.600 -0.448 0.000 0.883 578 E CA -0.327 55.881 56.400 -0.320 0.000 0.748 578 E CB 1.333 30.934 29.700 -0.165 0.000 1.140 578 E HN 0.298 nan 8.360 nan 0.000 0.417 579 F N 1.994 121.922 119.950 -0.036 0.000 2.303 579 F HA 0.086 4.247 4.527 -0.611 0.000 0.368 579 F C 1.532 177.366 175.800 0.056 0.000 1.105 579 F CA -0.439 57.560 58.000 -0.001 0.000 1.153 579 F CB 1.034 40.017 39.000 -0.028 0.000 1.362 579 F HN 0.400 nan 8.300 nan 0.000 0.511 580 S N 1.201 117.010 115.700 0.181 0.000 2.527 580 S HA 0.326 4.431 4.470 -0.608 0.000 0.222 580 S C 0.744 175.453 174.600 0.180 0.000 0.985 580 S CA 0.137 58.423 58.200 0.143 0.000 0.921 580 S CB 0.150 63.404 63.200 0.089 0.000 0.772 580 S HN 0.457 nan 8.310 nan 0.000 0.529 581 A N 1.035 124.017 122.820 0.270 0.000 2.310 581 A HA 0.613 4.568 4.320 -0.608 0.000 0.304 581 A C -0.064 177.761 177.584 0.401 0.000 1.231 581 A CA -0.635 51.589 52.037 0.312 0.000 0.799 581 A CB 0.350 19.545 19.000 0.324 0.000 1.162 581 A HN 1.055 nan 8.150 nan 0.000 0.486 582 C N 0.704 120.190 119.300 0.311 0.000 3.104 582 C HA 0.441 4.536 4.460 -0.608 0.000 0.206 582 C C -2.863 172.272 174.990 0.242 0.000 1.429 582 C CA -1.677 57.500 59.018 0.265 0.000 1.105 582 C CB -0.446 27.480 27.740 0.310 0.000 1.904 582 C HN 0.560 nan 8.230 nan 0.000 0.626 583 P HA 0.303 nan 4.420 nan 0.000 0.265 583 P C -0.524 176.793 177.300 0.029 0.000 1.193 583 P CA 1.038 64.104 63.100 -0.055 0.000 0.765 583 P CB 0.368 32.005 31.700 -0.104 0.000 0.823 584 F N -0.300 119.576 119.950 -0.123 0.000 2.629 584 F HA 0.814 4.978 4.527 -0.606 0.000 0.316 584 F C -0.680 175.030 175.800 -0.150 0.000 1.081 584 F CA -1.229 56.714 58.000 -0.094 0.000 0.954 584 F CB 1.564 40.398 39.000 -0.277 0.000 1.337 584 F HN 0.420 nan 8.300 nan 0.000 0.474 585 S N -0.216 115.578 115.700 0.156 0.000 2.550 585 S HA 0.884 4.990 4.470 -0.608 0.000 0.270 585 S C -0.829 173.746 174.600 -0.041 0.000 1.145 585 S CA -0.132 58.085 58.200 0.027 0.000 0.852 585 S CB 1.388 64.659 63.200 0.118 0.000 1.119 585 S HN 1.546 nan 8.310 nan 0.000 0.465 586 G N 0.280 109.006 108.800 -0.124 0.000 3.190 586 G HA2 0.735 4.330 3.960 -0.608 0.000 0.191 586 G HA3 0.735 4.330 3.960 -0.608 0.000 0.191 586 G C -1.287 173.634 174.900 0.036 0.000 1.523 586 G CA -0.086 44.877 45.100 -0.229 0.000 0.842 586 G HN 1.314 nan 8.290 nan 0.000 0.782 587 W N -1.528 119.778 121.300 0.009 0.000 3.137 587 W HA 0.762 5.057 4.660 -0.609 0.000 0.324 587 W C -1.673 174.857 176.519 0.018 0.000 1.253 587 W CA -2.276 55.084 57.345 0.025 0.000 1.183 587 W CB 0.338 29.858 29.460 0.100 0.000 1.424 587 W HN 0.430 nan 8.180 nan 0.000 0.566 588 Y N 2.793 123.298 120.300 0.342 0.000 2.411 588 Y HA 0.231 4.417 4.550 -0.608 0.000 0.333 588 Y C 1.087 177.064 175.900 0.128 0.000 1.186 588 Y CA -0.518 57.659 58.100 0.128 0.000 1.381 588 Y CB 1.136 39.577 38.460 -0.030 0.000 1.273 588 Y HN 0.420 nan 8.280 nan 0.000 0.546 589 M N 2.896 122.658 119.600 0.269 0.000 2.216 589 M HA 0.255 4.370 4.480 -0.608 0.000 0.356 589 M C 1.207 177.509 176.300 0.003 0.000 1.205 589 M CA 0.160 55.544 55.300 0.139 0.000 1.122 589 M CB 1.076 33.735 32.600 0.098 0.000 1.571 589 M HN 0.913 nan 8.290 nan 0.000 0.464 590 G N 1.433 110.194 108.800 -0.066 0.000 2.469 590 G HA2 -0.280 3.315 3.960 -0.608 0.000 0.220 590 G HA3 -0.280 3.315 3.960 -0.608 0.000 0.220 590 G C 1.199 175.944 174.900 -0.257 0.000 1.136 590 G CA 1.607 46.581 45.100 -0.211 0.000 0.759 590 G HN 0.886 nan 8.290 nan 0.000 0.562 591 T N -0.641 113.804 114.554 -0.181 0.000 2.833 591 T HA -0.071 3.914 4.350 -0.608 0.000 0.269 591 T C 1.941 176.479 174.700 -0.270 0.000 1.054 591 T CA 1.643 63.597 62.100 -0.244 0.000 1.135 591 T CB -0.331 68.365 68.868 -0.286 0.000 0.869 591 T HN 0.529 nan 8.240 nan 0.000 0.466 592 E N 1.113 121.171 120.200 -0.235 0.000 2.070 592 E HA -0.098 3.887 4.350 -0.608 0.000 0.197 592 E C 2.145 178.465 176.600 -0.467 0.000 1.004 592 E CA 1.671 57.934 56.400 -0.229 0.000 0.805 592 E CB -0.423 29.268 29.700 -0.015 0.000 0.744 592 E HN 0.605 nan 8.360 nan 0.000 0.451 593 I N 0.354 120.465 120.570 -0.765 0.000 2.206 593 I HA -0.098 3.707 4.170 -0.608 0.000 0.239 593 I C 2.621 178.155 176.117 -0.972 0.000 1.078 593 I CA 1.181 61.757 61.300 -1.208 0.000 1.367 593 I CB -0.566 36.554 38.000 -1.467 0.000 1.078 593 I HN 0.121 nan 8.210 nan 0.000 0.413 594 G N 0.325 108.766 108.800 -0.598 0.000 2.421 594 G HA2 -0.079 3.516 3.960 -0.608 0.000 0.217 594 G HA3 -0.079 3.516 3.960 -0.608 0.000 0.217 594 G C 1.613 176.438 174.900 -0.125 0.000 1.143 594 G CA 0.758 45.702 45.100 -0.260 0.000 0.784 594 G HN 0.221 nan 8.290 nan 0.000 0.541 595 V N 0.292 120.088 119.914 -0.196 0.000 2.403 595 V HA 0.065 3.821 4.120 -0.608 0.000 0.239 595 V C 2.792 178.811 176.094 -0.125 0.000 1.041 595 V CA 0.982 63.199 62.300 -0.138 0.000 1.051 595 V CB -0.250 31.466 31.823 -0.178 0.000 0.704 595 V HN 0.118 nan 8.190 nan 0.000 0.472 596 R N 0.533 120.924 120.500 -0.181 0.000 2.052 596 R HA -0.006 3.969 4.340 -0.608 0.000 0.224 596 R C 1.972 178.209 176.300 -0.105 0.000 1.149 596 R CA 1.378 57.397 56.100 -0.136 0.000 0.962 596 R CB -1.087 29.127 30.300 -0.144 0.000 0.856 596 R HN 0.460 nan 8.270 nan 0.000 0.433 597 D N 0.201 120.451 120.400 -0.251 0.000 2.117 597 D HA -0.143 4.132 4.640 -0.608 0.000 0.197 597 D C 2.013 178.345 176.300 0.053 0.000 0.987 597 D CA 1.277 55.141 54.000 -0.227 0.000 0.829 597 D CB -0.184 40.087 40.800 -0.881 0.000 0.961 597 D HN 0.362 nan 8.370 nan 0.000 0.460 598 Y N -0.452 119.775 120.300 -0.122 0.000 2.347 598 Y HA -0.027 4.158 4.550 -0.608 0.000 0.294 598 Y C 2.362 178.306 175.900 0.073 0.000 1.117 598 Y CA 0.192 58.296 58.100 0.007 0.000 1.184 598 Y CB 0.386 38.820 38.460 -0.043 0.000 1.047 598 Y HN 0.025 nan 8.280 nan 0.000 0.546 599 C N -1.086 118.320 119.300 0.177 0.000 2.935 599 C HA 0.142 4.238 4.460 -0.608 0.000 0.308 599 C C 0.250 175.279 174.990 0.065 0.000 1.263 599 C CA -0.711 58.374 59.018 0.111 0.000 1.738 599 C CB -0.601 27.180 27.740 0.069 0.000 2.237 599 C HN 0.249 nan 8.230 nan 0.000 0.600 600 D N 1.948 122.377 120.400 0.048 0.000 2.571 600 D HA -0.041 4.234 4.640 -0.608 0.000 0.231 600 D C 1.097 177.428 176.300 0.051 0.000 1.133 600 D CA 0.542 54.560 54.000 0.030 0.000 0.862 600 D CB 0.361 41.176 40.800 0.025 0.000 1.179 600 D HN 0.282 nan 8.370 nan 0.000 0.474 601 N N 0.476 119.196 118.700 0.032 0.000 2.223 601 N HA -0.145 4.230 4.740 -0.608 0.000 0.185 601 N C 1.128 176.660 175.510 0.037 0.000 1.016 601 N CA 0.996 54.069 53.050 0.038 0.000 0.863 601 N CB 0.093 38.597 38.487 0.028 0.000 0.983 601 N HN 0.376 nan 8.380 nan 0.000 0.429 602 S N -0.168 115.552 115.700 0.032 0.000 2.634 602 S HA 0.253 4.359 4.470 -0.608 0.000 0.221 602 S C 1.015 175.634 174.600 0.031 0.000 0.952 602 S CA -0.395 57.822 58.200 0.028 0.000 0.930 602 S CB 0.574 63.791 63.200 0.027 0.000 0.780 602 S HN 0.054 nan 8.310 nan 0.000 0.498 603 R N 0.389 120.921 120.500 0.054 0.000 2.702 603 R HA 0.408 4.384 4.340 -0.608 0.000 0.166 603 R C 0.762 177.097 176.300 0.058 0.000 1.402 603 R CA -0.538 55.611 56.100 0.082 0.000 1.077 603 R CB -1.037 29.362 30.300 0.165 0.000 1.947 603 R HN 0.294 nan 8.270 nan 0.000 0.494 604 Y N 1.541 121.947 120.300 0.176 0.000 2.439 604 Y HA -0.028 4.156 4.550 -0.609 0.000 0.292 604 Y C 0.739 176.707 175.900 0.113 0.000 1.130 604 Y CA 1.223 59.428 58.100 0.174 0.000 1.254 604 Y CB -0.158 38.477 38.460 0.290 0.000 1.000 604 Y HN 0.555 nan 8.280 nan 0.000 0.554 605 N N 0.989 119.825 118.700 0.226 0.000 2.714 605 N HA -0.220 4.155 4.740 -0.608 0.000 0.253 605 N C 0.404 175.994 175.510 0.134 0.000 1.024 605 N CA 0.401 53.536 53.050 0.142 0.000 0.726 605 N CB -1.050 37.492 38.487 0.092 0.000 0.908 605 N HN 0.635 nan 8.380 nan 0.000 0.542 606 I N -2.850 117.805 120.570 0.142 0.000 3.883 606 I HA 0.082 3.887 4.170 -0.608 0.000 0.326 606 I C 1.773 177.952 176.117 0.103 0.000 1.283 606 I CA -0.407 60.949 61.300 0.093 0.000 1.161 606 I CB -0.021 37.991 38.000 0.019 0.000 1.012 606 I HN 0.156 nan 8.210 nan 0.000 0.421 607 L N 1.213 122.521 121.223 0.142 0.000 1.989 607 L HA -0.179 3.796 4.340 -0.608 0.000 0.211 607 L C 2.734 179.766 176.870 0.269 0.000 1.071 607 L CA 1.762 56.721 54.840 0.198 0.000 0.749 607 L CB -0.643 41.514 42.059 0.165 0.000 0.890 607 L HN 0.318 nan 8.230 nan 0.000 0.431 608 E N 0.027 120.378 120.200 0.251 0.000 2.086 608 E HA -0.297 3.688 4.350 -0.608 0.000 0.200 608 E C 2.031 178.649 176.600 0.030 0.000 1.012 608 E CA 2.127 58.622 56.400 0.159 0.000 0.812 608 E CB -0.138 29.619 29.700 0.095 0.000 0.743 608 E HN 0.578 nan 8.360 nan 0.000 0.453 609 E N 0.139 120.349 120.200 0.017 0.000 2.072 609 E HA -0.106 3.879 4.350 -0.608 0.000 0.190 609 E C 2.208 178.758 176.600 -0.084 0.000 0.982 609 E CA 0.703 57.072 56.400 -0.052 0.000 0.803 609 E CB -0.181 29.491 29.700 -0.047 0.000 0.755 609 E HN 0.035 nan 8.360 nan 0.000 0.453 610 V N 1.305 121.216 119.914 -0.004 0.000 2.343 610 V HA -0.252 3.504 4.120 -0.608 0.000 0.247 610 V C 2.276 178.372 176.094 0.004 0.000 1.051 610 V CA 1.799 64.126 62.300 0.044 0.000 1.036 610 V CB -0.871 31.065 31.823 0.189 0.000 0.654 610 V HN 0.364 nan 8.190 nan 0.000 0.451 611 A N -0.420 122.442 122.820 0.071 0.000 1.933 611 A HA -0.242 3.714 4.320 -0.608 0.000 0.218 611 A C 2.310 179.812 177.584 -0.137 0.000 1.175 611 A CA 1.936 54.010 52.037 0.061 0.000 0.628 611 A CB -0.432 18.699 19.000 0.219 0.000 0.814 611 A HN 0.535 nan 8.150 nan 0.000 0.444 612 K N -0.446 119.832 120.400 -0.203 0.000 2.097 612 K HA -0.093 3.862 4.320 -0.608 0.000 0.206 612 K C 1.903 178.278 176.600 -0.375 0.000 1.049 612 K CA 1.236 57.362 56.287 -0.268 0.000 0.933 612 K CB -0.085 32.275 32.500 -0.234 0.000 0.717 612 K HN 0.244 nan 8.250 nan 0.000 0.442 613 K N 0.357 120.431 120.400 -0.544 0.000 2.217 613 K HA 0.001 3.957 4.320 -0.608 0.000 0.202 613 K C 1.811 177.797 176.600 -1.024 0.000 1.051 613 K CA 0.973 56.651 56.287 -1.015 0.000 0.952 613 K CB 0.041 31.531 32.500 -1.683 0.000 0.736 613 K HN 0.230 nan 8.250 nan 0.000 0.453 614 M N 0.261 119.505 119.600 -0.593 0.000 2.618 614 M HA -0.062 4.054 4.480 -0.608 0.000 0.240 614 M C -0.362 175.823 176.300 -0.192 0.000 1.123 614 M CA 0.336 55.450 55.300 -0.310 0.000 1.060 614 M CB -0.215 32.322 32.600 -0.105 0.000 1.535 614 M HN 0.021 nan 8.290 nan 0.000 0.507 615 D N 1.696 121.958 120.400 -0.231 0.000 2.686 615 D HA -0.160 4.115 4.640 -0.608 0.000 0.235 615 D C -0.746 175.497 176.300 -0.095 0.000 1.160 615 D CA 0.465 54.369 54.000 -0.161 0.000 0.645 615 D CB -0.719 39.999 40.800 -0.137 0.000 1.039 615 D HN 0.304 nan 8.370 nan 0.000 0.423 616 L N -0.189 120.986 121.223 -0.081 0.000 2.456 616 L HA 0.300 4.275 4.340 -0.608 0.000 0.257 616 L C 0.957 177.774 176.870 -0.088 0.000 1.162 616 L CA -0.550 54.278 54.840 -0.020 0.000 0.808 616 L CB 0.493 42.602 42.059 0.082 0.000 1.136 616 L HN 0.036 nan 8.230 nan 0.000 0.466 617 D N 1.254 121.629 120.400 -0.040 0.000 2.374 617 D HA 0.175 4.451 4.640 -0.608 0.000 0.240 617 D C 0.460 176.645 176.300 -0.193 0.000 1.229 617 D CA 0.157 54.103 54.000 -0.089 0.000 0.895 617 D CB 0.693 41.482 40.800 -0.019 0.000 1.046 617 D HN 0.335 nan 8.370 nan 0.000 0.498 618 M N 2.647 121.978 119.600 -0.448 0.000 2.505 618 M HA 0.147 4.263 4.480 -0.608 0.000 0.230 618 M C 1.727 177.778 176.300 -0.416 0.000 1.153 618 M CA -0.107 54.635 55.300 -0.931 0.000 0.997 618 M CB 0.341 32.223 32.600 -1.198 0.000 1.606 618 M HN 0.315 nan 8.290 nan 0.000 0.481 619 R N 1.687 122.078 120.500 -0.181 0.000 2.073 619 R HA -0.066 3.909 4.340 -0.608 0.000 0.234 619 R C 0.080 176.397 176.300 0.028 0.000 1.134 619 R CA 1.142 57.201 56.100 -0.067 0.000 0.952 619 R CB 0.013 30.287 30.300 -0.042 0.000 0.850 619 R HN 0.370 nan 8.270 nan 0.000 0.433 620 K N -0.939 119.522 120.400 0.101 0.000 2.426 620 K HA 0.230 4.186 4.320 -0.608 0.000 0.251 620 K C 0.552 177.312 176.600 0.267 0.000 0.941 620 K CA -0.377 56.001 56.287 0.151 0.000 0.808 620 K CB 1.766 34.322 32.500 0.093 0.000 1.265 620 K HN -0.142 nan 8.250 nan 0.000 0.432 621 T N -2.343 112.337 114.554 0.210 0.000 2.833 621 T HA -0.208 3.778 4.350 -0.608 0.000 0.269 621 T C 1.733 176.477 174.700 0.073 0.000 1.054 621 T CA 1.627 63.812 62.100 0.142 0.000 1.135 621 T CB -0.487 68.413 68.868 0.053 0.000 0.869 621 T HN 0.612 nan 8.240 nan 0.000 0.466 622 S N 1.867 117.616 115.700 0.082 0.000 2.603 622 S HA -0.008 4.098 4.470 -0.608 0.000 0.229 622 S C 2.054 176.697 174.600 0.071 0.000 0.972 622 S CA 0.614 58.846 58.200 0.054 0.000 0.935 622 S CB -0.754 62.472 63.200 0.044 0.000 0.769 622 S HN 0.749 nan 8.310 nan 0.000 0.536 623 S N 1.871 117.648 115.700 0.128 0.000 2.561 623 S HA 0.183 4.289 4.470 -0.608 0.000 0.225 623 S C 0.967 175.643 174.600 0.125 0.000 0.977 623 S CA 0.120 58.405 58.200 0.141 0.000 0.926 623 S CB -1.062 62.255 63.200 0.196 0.000 0.769 623 S HN 0.641 nan 8.310 nan 0.000 0.533 624 L N 0.751 122.009 121.223 0.058 0.000 3.737 624 L HA -0.186 3.789 4.340 -0.608 0.000 0.418 624 L C 1.662 178.524 176.870 -0.013 0.000 1.216 624 L CA 0.753 55.572 54.840 -0.035 0.000 0.915 624 L CB -2.590 39.462 42.059 -0.012 0.000 1.834 624 L HN 0.746 nan 8.230 nan 0.000 0.943 625 W N 0.131 121.443 121.300 0.021 0.000 2.363 625 W HA -0.139 4.156 4.660 -0.608 0.000 0.296 625 W C 1.761 178.299 176.519 0.031 0.000 1.212 625 W CA 1.269 58.628 57.345 0.023 0.000 1.260 625 W CB -0.718 28.748 29.460 0.010 0.000 1.131 625 W HN 0.249 nan 8.180 nan 0.000 0.530 626 K N 1.010 120.895 120.400 -0.857 0.000 2.063 626 K HA -0.186 3.769 4.320 -0.608 0.000 0.208 626 K C 1.493 177.949 176.600 -0.240 0.000 1.048 626 K CA 2.465 58.335 56.287 -0.695 0.000 0.928 626 K CB -0.320 31.637 32.500 -0.905 0.000 0.713 626 K HN 0.082 nan 8.250 nan 0.000 0.442 627 D N 0.298 120.583 120.400 -0.191 0.000 2.149 627 D HA -0.115 4.161 4.640 -0.608 0.000 0.201 627 D C 1.981 178.285 176.300 0.008 0.000 0.972 627 D CA 0.865 54.818 54.000 -0.079 0.000 0.835 627 D CB 0.056 40.814 40.800 -0.069 0.000 0.966 627 D HN 0.190 nan 8.370 nan 0.000 0.476 628 Q N 0.391 120.222 119.800 0.051 0.000 2.016 628 Q HA -0.080 3.895 4.340 -0.608 0.000 0.200 628 Q C 2.380 178.474 176.000 0.156 0.000 0.978 628 Q CA 1.308 57.181 55.803 0.115 0.000 0.833 628 Q CB -0.252 28.574 28.738 0.147 0.000 0.895 628 Q HN 0.293 nan 8.270 nan 0.000 0.427 629 A N 1.247 124.174 122.820 0.178 0.000 1.917 629 A HA -0.217 3.739 4.320 -0.608 0.000 0.219 629 A C 2.111 179.809 177.584 0.189 0.000 1.182 629 A CA 1.454 53.622 52.037 0.219 0.000 0.633 629 A CB -0.787 18.360 19.000 0.246 0.000 0.819 629 A HN 0.348 nan 8.150 nan 0.000 0.448 630 L N -0.051 121.238 121.223 0.110 0.000 2.012 630 L HA -0.152 3.823 4.340 -0.608 0.000 0.210 630 L C 2.414 179.341 176.870 0.095 0.000 1.073 630 L CA 2.124 57.012 54.840 0.080 0.000 0.748 630 L CB -0.548 41.514 42.059 0.006 0.000 0.891 630 L HN 0.171 nan 8.230 nan 0.000 0.431 631 V N -0.051 119.921 119.914 0.096 0.000 2.261 631 V HA -0.255 3.500 4.120 -0.608 0.000 0.246 631 V C 2.651 178.830 176.094 0.141 0.000 1.047 631 V CA 1.975 64.337 62.300 0.103 0.000 1.015 631 V CB -0.759 31.124 31.823 0.101 0.000 0.642 631 V HN 0.485 nan 8.190 nan 0.000 0.446 632 E N -0.042 120.283 120.200 0.208 0.000 2.077 632 E HA -0.184 3.801 4.350 -0.608 0.000 0.193 632 E C 2.162 178.901 176.600 0.231 0.000 0.989 632 E CA 1.378 57.952 56.400 0.290 0.000 0.800 632 E CB -0.387 29.550 29.700 0.395 0.000 0.746 632 E HN 0.584 nan 8.360 nan 0.000 0.452 633 I N 1.796 122.528 120.570 0.269 0.000 2.208 633 I HA -0.279 3.526 4.170 -0.608 0.000 0.245 633 I C 2.132 178.352 176.117 0.172 0.000 1.097 633 I CA 0.996 62.486 61.300 0.316 0.000 1.363 633 I CB -0.296 37.924 38.000 0.367 0.000 1.051 633 I HN 0.078 nan 8.210 nan 0.000 0.413 634 N N 0.601 119.365 118.700 0.106 0.000 2.331 634 N HA -0.034 4.342 4.740 -0.608 0.000 0.180 634 N C 1.966 177.481 175.510 0.009 0.000 1.019 634 N CA 1.095 54.166 53.050 0.036 0.000 0.881 634 N CB 0.106 38.600 38.487 0.012 0.000 0.972 634 N HN 0.368 nan 8.380 nan 0.000 0.435 635 I N 1.237 121.804 120.570 -0.006 0.000 2.315 635 I HA -0.199 3.606 4.170 -0.608 0.000 0.248 635 I C 2.412 178.421 176.117 -0.180 0.000 1.117 635 I CA 0.598 61.841 61.300 -0.095 0.000 1.404 635 I CB -0.155 37.751 38.000 -0.157 0.000 1.071 635 I HN 0.045 nan 8.210 nan 0.000 0.419 636 A N 0.339 123.021 122.820 -0.231 0.000 1.873 636 A HA -0.139 3.816 4.320 -0.608 0.000 0.215 636 A C 2.422 180.011 177.584 0.009 0.000 1.186 636 A CA 1.559 53.438 52.037 -0.264 0.000 0.616 636 A CB -0.915 17.710 19.000 -0.625 0.000 0.823 636 A HN 0.212 nan 8.150 nan 0.000 0.442 637 V N 0.228 120.172 119.914 0.051 0.000 2.255 637 V HA -0.282 3.473 4.120 -0.608 0.000 0.247 637 V C 2.607 178.734 176.094 0.055 0.000 1.051 637 V CA 2.112 64.459 62.300 0.079 0.000 1.018 637 V CB -0.817 30.964 31.823 -0.070 0.000 0.641 637 V HN 0.574 nan 8.190 nan 0.000 0.445 638 L N -1.268 119.951 121.223 -0.007 0.000 2.046 638 L HA -0.231 3.744 4.340 -0.608 0.000 0.208 638 L C 2.509 179.431 176.870 0.086 0.000 1.077 638 L CA 2.206 57.050 54.840 0.008 0.000 0.747 638 L CB -0.778 41.282 42.059 0.001 0.000 0.896 638 L HN 0.444 nan 8.230 nan 0.000 0.432 639 Y N 0.493 120.764 120.300 -0.049 0.000 2.181 639 Y HA -0.261 3.925 4.550 -0.607 0.000 0.288 639 Y C 2.736 178.639 175.900 0.005 0.000 1.146 639 Y CA 1.780 59.842 58.100 -0.065 0.000 1.164 639 Y CB -0.239 38.113 38.460 -0.180 0.000 0.982 639 Y HN 0.059 nan 8.280 nan 0.000 0.515 640 S N 0.239 115.937 115.700 -0.004 0.000 2.356 640 S HA -0.161 3.944 4.470 -0.608 0.000 0.223 640 S C 1.755 176.343 174.600 -0.020 0.000 1.032 640 S CA 1.494 59.669 58.200 -0.043 0.000 1.005 640 S CB -0.759 62.532 63.200 0.150 0.000 0.867 640 S HN 0.450 nan 8.310 nan 0.000 0.449 641 F N 2.013 121.916 119.950 -0.079 0.000 2.126 641 F HA -0.134 4.028 4.527 -0.608 0.000 0.299 641 F C 2.684 178.428 175.800 -0.093 0.000 1.096 641 F CA 1.239 59.210 58.000 -0.049 0.000 1.255 641 F CB -0.680 38.318 39.000 -0.003 0.000 0.997 641 F HN 0.224 nan 8.300 nan 0.000 0.479 642 Q N -0.788 119.050 119.800 0.063 0.000 2.124 642 Q HA -0.160 3.816 4.340 -0.608 0.000 0.202 642 Q C 2.358 178.275 176.000 -0.139 0.000 0.977 642 Q CA 1.783 57.561 55.803 -0.041 0.000 0.850 642 Q CB -0.334 28.375 28.738 -0.049 0.000 0.901 642 Q HN 0.264 nan 8.270 nan 0.000 0.429 643 S N 0.893 116.427 115.700 -0.276 0.000 2.402 643 S HA -0.096 4.010 4.470 -0.608 0.000 0.229 643 S C 0.784 175.273 174.600 -0.185 0.000 1.021 643 S CA 1.063 59.079 58.200 -0.307 0.000 0.974 643 S CB -0.001 62.879 63.200 -0.534 0.000 0.800 643 S HN 0.318 nan 8.310 nan 0.000 0.484 644 D N 0.526 120.827 120.400 -0.165 0.000 2.325 644 D HA 0.196 4.471 4.640 -0.608 0.000 0.225 644 D C -0.016 176.219 176.300 -0.109 0.000 1.096 644 D CA 0.103 54.022 54.000 -0.135 0.000 0.844 644 D CB -0.017 40.683 40.800 -0.166 0.000 0.925 644 D HN 0.013 nan 8.370 nan 0.000 0.513 645 K N -0.436 119.911 120.400 -0.089 0.000 3.156 645 K HA -0.136 3.820 4.320 -0.608 0.000 0.266 645 K C -0.961 175.607 176.600 -0.053 0.000 0.966 645 K CA 0.226 56.475 56.287 -0.065 0.000 0.719 645 K CB -1.560 30.903 32.500 -0.062 0.000 1.333 645 K HN 0.026 nan 8.250 nan 0.000 0.468 646 V N 0.978 120.871 119.914 -0.035 0.000 2.370 646 V HA 0.223 3.978 4.120 -0.608 0.000 0.283 646 V C 0.716 176.892 176.094 0.137 0.000 1.023 646 V CA -0.863 61.445 62.300 0.013 0.000 0.857 646 V CB 1.897 33.648 31.823 -0.119 0.000 0.985 646 V HN 0.333 nan 8.190 nan 0.000 0.443 647 T N 6.517 121.104 114.554 0.056 0.000 2.891 647 T HA 0.292 4.277 4.350 -0.608 0.000 0.296 647 T C -0.239 174.538 174.700 0.128 0.000 1.025 647 T CA 1.024 63.088 62.100 -0.060 0.000 1.149 647 T CB -0.018 68.657 68.868 -0.322 0.000 1.007 647 T HN 0.572 nan 8.240 nan 0.000 0.528 648 I N 2.591 123.184 120.570 0.038 0.000 2.841 648 I HA 0.592 4.398 4.170 -0.608 0.000 0.298 648 I C -1.382 174.772 176.117 0.062 0.000 1.304 648 I CA -0.974 60.383 61.300 0.094 0.000 1.019 648 I CB 1.946 39.925 38.000 -0.035 0.000 1.282 648 I HN 0.428 nan 8.210 nan 0.000 0.432 649 V N 5.529 125.545 119.914 0.169 0.000 2.604 649 V HA 0.467 4.223 4.120 -0.608 0.000 0.305 649 V C -0.975 175.178 176.094 0.098 0.000 1.043 649 V CA -0.283 62.109 62.300 0.153 0.000 0.888 649 V CB 2.172 34.171 31.823 0.292 0.000 0.995 649 V HN 0.874 nan 8.190 nan 0.000 0.429 650 D N 3.893 124.329 120.400 0.060 0.000 2.358 650 D HA 0.162 4.438 4.640 -0.608 0.000 0.244 650 D C 1.241 177.542 176.300 0.002 0.000 1.163 650 D CA 0.147 54.166 54.000 0.032 0.000 0.945 650 D CB 0.502 41.297 40.800 -0.008 0.000 1.152 650 D HN 0.730 nan 8.370 nan 0.000 0.451 651 H N 0.151 119.158 119.070 -0.105 0.000 2.457 651 H HA -0.129 4.063 4.556 -0.608 0.000 0.294 651 H C 0.993 176.222 175.328 -0.165 0.000 1.064 651 H CA 1.239 57.190 56.048 -0.162 0.000 1.330 651 H CB -0.569 29.046 29.762 -0.246 0.000 1.395 651 H HN 0.526 nan 8.280 nan 0.000 0.541 652 H N 0.931 119.793 119.070 -0.346 0.000 2.299 652 H HA -0.095 4.097 4.556 -0.607 0.000 0.302 652 H C 2.516 177.823 175.328 -0.035 0.000 1.078 652 H CA 1.616 57.563 56.048 -0.168 0.000 1.323 652 H CB -0.272 29.363 29.762 -0.210 0.000 1.381 652 H HN 0.430 nan 8.280 nan 0.000 0.498 653 S N 0.700 116.456 115.700 0.093 0.000 2.368 653 S HA -0.102 4.003 4.470 -0.608 0.000 0.224 653 S C 2.442 177.113 174.600 0.119 0.000 1.029 653 S CA 1.147 59.404 58.200 0.095 0.000 0.988 653 S CB -0.318 62.928 63.200 0.078 0.000 0.838 653 S HN 0.451 nan 8.310 nan 0.000 0.462 654 A N 1.225 124.116 122.820 0.118 0.000 1.865 654 A HA -0.108 3.848 4.320 -0.608 0.000 0.217 654 A C 2.564 180.247 177.584 0.165 0.000 1.191 654 A CA 2.661 54.787 52.037 0.149 0.000 0.623 654 A CB -1.843 17.234 19.000 0.129 0.000 0.826 654 A HN 0.818 nan 8.150 nan 0.000 0.444 655 T N -2.331 112.304 114.554 0.134 0.000 2.777 655 T HA -0.136 3.850 4.350 -0.608 0.000 0.266 655 T C 1.774 176.604 174.700 0.215 0.000 1.040 655 T CA 1.388 63.588 62.100 0.167 0.000 1.141 655 T CB -0.393 68.540 68.868 0.109 0.000 0.868 655 T HN 0.564 nan 8.240 nan 0.000 0.444 656 E N 1.136 121.436 120.200 0.167 0.000 2.058 656 E HA -0.166 3.819 4.350 -0.608 0.000 0.194 656 E C 2.414 179.106 176.600 0.153 0.000 0.997 656 E CA 1.452 57.940 56.400 0.148 0.000 0.801 656 E CB -0.274 29.495 29.700 0.114 0.000 0.746 656 E HN 0.537 nan 8.360 nan 0.000 0.450 657 S N 0.106 115.905 115.700 0.166 0.000 2.370 657 S HA -0.161 3.944 4.470 -0.608 0.000 0.226 657 S C 1.505 176.234 174.600 0.214 0.000 1.033 657 S CA 1.147 59.449 58.200 0.169 0.000 1.011 657 S CB -0.421 62.884 63.200 0.174 0.000 0.852 657 S HN 0.372 nan 8.310 nan 0.000 0.457 658 F N 1.976 121.997 119.950 0.118 0.000 2.234 658 F HA -0.047 4.115 4.527 -0.608 0.000 0.299 658 F C 1.779 177.672 175.800 0.156 0.000 1.087 658 F CA 0.838 58.928 58.000 0.150 0.000 1.340 658 F CB -0.158 38.913 39.000 0.118 0.000 1.031 658 F HN 0.103 nan 8.300 nan 0.000 0.500 659 I N 0.613 121.271 120.570 0.146 0.000 2.226 659 I HA -0.278 3.528 4.170 -0.608 0.000 0.245 659 I C 2.431 178.527 176.117 -0.035 0.000 1.100 659 I CA 1.376 62.703 61.300 0.044 0.000 1.374 659 I CB -1.291 36.780 38.000 0.118 0.000 1.057 659 I HN 0.188 nan 8.210 nan 0.000 0.413 660 K N -0.044 120.367 120.400 0.017 0.000 2.057 660 K HA -0.273 3.682 4.320 -0.608 0.000 0.207 660 K C 2.326 178.920 176.600 -0.010 0.000 1.049 660 K CA 1.734 58.030 56.287 0.015 0.000 0.931 660 K CB -0.214 32.316 32.500 0.051 0.000 0.714 660 K HN 0.295 nan 8.250 nan 0.000 0.440 661 H N 0.448 119.442 119.070 -0.126 0.000 2.321 661 H HA -0.074 4.117 4.556 -0.607 0.000 0.300 661 H C 2.037 177.222 175.328 -0.238 0.000 1.087 661 H CA 2.292 58.238 56.048 -0.171 0.000 1.319 661 H CB -0.125 29.528 29.762 -0.183 0.000 1.379 661 H HN 0.120 nan 8.280 nan 0.000 0.501 662 M N 0.152 119.433 119.600 -0.532 0.000 2.073 662 M HA -0.228 3.887 4.480 -0.608 0.000 0.258 662 M C 2.199 178.443 176.300 -0.092 0.000 1.070 662 M CA 2.346 57.421 55.300 -0.376 0.000 1.103 662 M CB -0.202 32.224 32.600 -0.290 0.000 1.321 662 M HN 0.477 nan 8.290 nan 0.000 0.405 663 E N -0.182 119.964 120.200 -0.090 0.000 2.110 663 E HA -0.185 3.801 4.350 -0.608 0.000 0.193 663 E C 1.719 178.308 176.600 -0.019 0.000 0.988 663 E CA 1.098 57.481 56.400 -0.028 0.000 0.804 663 E CB -0.224 29.452 29.700 -0.039 0.000 0.745 663 E HN 0.499 nan 8.360 nan 0.000 0.458 664 N N 0.994 119.652 118.700 -0.070 0.000 2.084 664 N HA -0.160 4.216 4.740 -0.608 0.000 0.190 664 N C 1.661 177.112 175.510 -0.097 0.000 1.030 664 N CA 0.994 54.009 53.050 -0.059 0.000 0.849 664 N CB -0.177 38.293 38.487 -0.028 0.000 1.012 664 N HN 0.187 nan 8.380 nan 0.000 0.423 665 E N 0.082 120.147 120.200 -0.225 0.000 2.106 665 E HA -0.126 3.860 4.350 -0.608 0.000 0.192 665 E C 1.896 178.351 176.600 -0.241 0.000 0.984 665 E CA 0.632 56.859 56.400 -0.289 0.000 0.806 665 E CB -0.353 29.043 29.700 -0.505 0.000 0.750 665 E HN 0.494 nan 8.360 nan 0.000 0.458 666 Y N 1.632 121.832 120.300 -0.168 0.000 2.145 666 Y HA -0.202 3.983 4.550 -0.608 0.000 0.286 666 Y C 2.622 178.467 175.900 -0.091 0.000 1.145 666 Y CA 2.044 60.076 58.100 -0.112 0.000 1.148 666 Y CB -0.113 38.291 38.460 -0.093 0.000 0.981 666 Y HN 0.097 nan 8.280 nan 0.000 0.507 667 R N -1.854 118.676 120.500 0.050 0.000 2.090 667 R HA -0.055 3.921 4.340 -0.608 0.000 0.228 667 R C 2.049 178.334 176.300 -0.026 0.000 1.110 667 R CA 1.592 57.699 56.100 0.012 0.000 0.973 667 R CB -1.255 29.051 30.300 0.010 0.000 0.869 667 R HN 0.230 nan 8.270 nan 0.000 0.440 668 C N 0.065 119.338 119.300 -0.044 0.000 2.492 668 C HA 0.220 4.316 4.460 -0.608 0.000 0.279 668 C C 2.444 177.390 174.990 -0.073 0.000 1.335 668 C CA 0.237 59.228 59.018 -0.045 0.000 1.734 668 C CB -0.554 27.172 27.740 -0.022 0.000 2.027 668 C HN 0.514 nan 8.230 nan 0.000 0.496 669 R N -0.662 119.764 120.500 -0.124 0.000 2.419 669 R HA 0.234 4.209 4.340 -0.608 0.000 0.235 669 R C 1.358 177.542 176.300 -0.193 0.000 0.899 669 R CA 0.879 56.887 56.100 -0.152 0.000 1.048 669 R CB 0.467 30.652 30.300 -0.191 0.000 1.182 669 R HN 0.477 nan 8.270 nan 0.000 0.544 670 G N -0.109 108.561 108.800 -0.217 0.000 2.157 670 G HA2 -0.174 3.422 3.960 -0.608 0.000 0.248 670 G HA3 -0.174 3.422 3.960 -0.608 0.000 0.248 670 G C 0.151 174.789 174.900 -0.437 0.000 0.979 670 G CA 0.059 45.011 45.100 -0.245 0.000 0.650 670 G HN 0.792 nan 8.290 nan 0.000 0.529 671 G N -2.348 106.021 108.800 -0.719 0.000 2.337 671 G HA2 0.533 4.128 3.960 -0.608 0.000 0.298 671 G HA3 0.533 4.128 3.960 -0.608 0.000 0.298 671 G C -0.939 173.500 174.900 -0.769 0.000 1.335 671 G CA 0.401 44.758 45.100 -1.237 0.000 0.875 671 G HN 1.852 nan 8.290 nan 0.000 0.579 672 C N 2.148 121.126 119.300 -0.537 0.000 2.789 672 C HA 0.695 4.790 4.460 -0.608 0.000 0.367 672 C C -2.539 172.359 174.990 -0.153 0.000 1.062 672 C CA -1.194 57.669 59.018 -0.257 0.000 1.297 672 C CB 0.938 28.538 27.740 -0.233 0.000 1.794 672 C HN 0.685 nan 8.230 nan 0.000 0.474 673 P HA 0.425 nan 4.420 nan 0.000 0.271 673 P C -0.658 176.532 177.300 -0.183 0.000 1.220 673 P CA 0.544 63.255 63.100 -0.648 0.000 0.768 673 P CB 1.129 32.286 31.700 -0.905 0.000 0.848 674 A N 2.279 125.056 122.820 -0.071 0.000 2.517 674 A HA 0.429 4.385 4.320 -0.608 0.000 0.297 674 A C -1.276 176.358 177.584 0.085 0.000 1.050 674 A CA -0.524 51.571 52.037 0.095 0.000 0.694 674 A CB 1.317 20.506 19.000 0.314 0.000 1.277 674 A HN 0.445 nan 8.150 nan 0.000 0.400 675 D N 1.917 122.354 120.400 0.062 0.000 2.473 675 D HA 0.160 4.435 4.640 -0.608 0.000 0.226 675 D C 0.706 177.128 176.300 0.204 0.000 1.089 675 D CA -0.517 53.545 54.000 0.103 0.000 0.883 675 D CB 0.380 41.173 40.800 -0.011 0.000 1.029 675 D HN 0.601 nan 8.370 nan 0.000 0.517 676 W N 3.925 125.256 121.300 0.052 0.000 2.342 676 W HA -0.227 4.069 4.660 -0.607 0.000 0.297 676 W C 1.498 178.048 176.519 0.053 0.000 1.213 676 W CA 1.010 58.376 57.345 0.034 0.000 1.251 676 W CB 0.188 29.648 29.460 -0.000 0.000 1.136 676 W HN 0.297 nan 8.180 nan 0.000 0.526 677 V N -0.417 119.789 119.914 0.488 0.000 2.490 677 V HA -0.294 3.461 4.120 -0.608 0.000 0.250 677 V C 1.458 177.673 176.094 0.202 0.000 1.061 677 V CA 1.984 64.520 62.300 0.393 0.000 1.064 677 V CB -0.844 31.214 31.823 0.391 0.000 0.670 677 V HN 0.289 nan 8.190 nan 0.000 0.461 678 W N -1.437 119.842 121.300 -0.035 0.000 2.683 678 W HA 0.243 4.538 4.660 -0.609 0.000 0.267 678 W C 2.178 178.590 176.519 -0.178 0.000 1.243 678 W CA -0.119 57.173 57.345 -0.088 0.000 1.380 678 W CB -0.175 29.250 29.460 -0.058 0.000 1.063 678 W HN 0.065 nan 8.180 nan 0.000 0.599 679 I N 0.117 120.669 120.570 -0.031 0.000 2.252 679 I HA -0.107 3.698 4.170 -0.608 0.000 0.245 679 I C 0.667 176.591 176.117 -0.321 0.000 1.102 679 I CA 0.882 62.033 61.300 -0.248 0.000 1.385 679 I CB -1.583 36.186 38.000 -0.384 0.000 1.064 679 I HN -0.404 nan 8.210 nan 0.000 0.414 680 V N 4.074 123.700 119.914 -0.479 0.000 2.493 680 V HA 0.034 3.789 4.120 -0.608 0.000 0.292 680 V C -1.875 174.044 176.094 -0.291 0.000 1.016 680 V CA -0.908 61.095 62.300 -0.495 0.000 1.097 680 V CB -0.325 30.947 31.823 -0.918 0.000 0.947 680 V HN 0.138 nan 8.190 nan 0.000 0.479 681 P HA 0.104 nan 4.420 nan 0.000 0.268 681 P C -1.832 175.343 177.300 -0.208 0.000 1.208 681 P CA -1.006 61.975 63.100 -0.198 0.000 0.777 681 P CB 0.055 31.640 31.700 -0.192 0.000 0.875 682 P HA 0.026 nan 4.420 nan 0.000 0.245 682 P C -0.038 177.152 177.300 -0.184 0.000 1.212 682 P CA 1.019 64.005 63.100 -0.190 0.000 0.774 682 P CB 0.021 31.605 31.700 -0.195 0.000 0.999 683 M N -4.538 114.917 119.600 -0.242 0.000 2.550 683 M HA 0.551 4.666 4.480 -0.608 0.000 0.292 683 M C -0.222 175.961 176.300 -0.196 0.000 1.221 683 M CA -0.631 54.539 55.300 -0.216 0.000 0.873 683 M CB 2.041 34.490 32.600 -0.251 0.000 1.727 683 M HN -0.370 nan 8.290 nan 0.000 0.459 684 S N 0.639 116.277 115.700 -0.103 0.000 3.533 684 S HA -0.180 3.926 4.470 -0.608 0.000 0.347 684 S C 1.119 175.690 174.600 -0.048 0.000 1.101 684 S CA 0.881 59.059 58.200 -0.036 0.000 1.009 684 S CB -1.938 61.304 63.200 0.070 0.000 0.916 684 S HN 1.212 nan 8.310 nan 0.000 0.496 685 G N 2.134 110.884 108.800 -0.083 0.000 2.599 685 G HA2 -0.348 3.247 3.960 -0.608 0.000 0.219 685 G HA3 -0.348 3.247 3.960 -0.608 0.000 0.219 685 G C 1.456 176.265 174.900 -0.152 0.000 1.193 685 G CA 1.672 46.741 45.100 -0.052 0.000 0.778 685 G HN 1.294 nan 8.290 nan 0.000 0.589 686 S N 0.597 115.971 115.700 -0.544 0.000 2.561 686 S HA 0.068 4.173 4.470 -0.608 0.000 0.225 686 S C 2.125 176.671 174.600 -0.091 0.000 0.977 686 S CA 0.848 58.539 58.200 -0.849 0.000 0.926 686 S CB -0.348 62.084 63.200 -1.282 0.000 0.769 686 S HN 0.768 nan 8.310 nan 0.000 0.533 687 I N 0.765 121.337 120.570 0.003 0.000 3.793 687 I HA 0.244 4.049 4.170 -0.608 0.000 0.315 687 I C 0.451 176.693 176.117 0.209 0.000 1.275 687 I CA -0.219 61.159 61.300 0.130 0.000 1.214 687 I CB -0.569 37.505 38.000 0.122 0.000 1.018 687 I HN 0.233 nan 8.210 nan 0.000 0.439 688 T N -1.555 113.116 114.554 0.195 0.000 2.929 688 T HA 0.470 4.455 4.350 -0.608 0.000 0.284 688 T C -1.621 173.248 174.700 0.283 0.000 1.014 688 T CA -1.869 60.358 62.100 0.212 0.000 1.051 688 T CB 1.707 70.652 68.868 0.128 0.000 1.028 688 T HN -0.079 nan 8.240 nan 0.000 0.485 689 P HA -0.017 nan 4.420 nan 0.000 0.225 689 P C 1.774 179.278 177.300 0.339 0.000 1.156 689 P CA 0.636 63.929 63.100 0.321 0.000 0.787 689 P CB -0.326 31.505 31.700 0.217 0.000 0.802 690 V N -3.620 116.434 119.914 0.233 0.000 2.626 690 V HA -0.193 3.563 4.120 -0.608 0.000 0.252 690 V C 2.328 178.486 176.094 0.106 0.000 1.067 690 V CA 1.136 63.529 62.300 0.154 0.000 1.081 690 V CB -2.243 29.587 31.823 0.011 0.000 0.686 690 V HN -0.104 nan 8.190 nan 0.000 0.468 691 F N 1.778 121.702 119.950 -0.043 0.000 2.161 691 F HA -0.178 3.985 4.527 -0.608 0.000 0.300 691 F C 2.455 178.399 175.800 0.240 0.000 1.089 691 F CA 2.286 60.272 58.000 -0.023 0.000 1.282 691 F CB -0.220 38.656 39.000 -0.206 0.000 1.010 691 F HN 0.283 nan 8.300 nan 0.000 0.485 692 H N -1.179 118.220 119.070 0.548 0.000 2.539 692 H HA 0.101 4.293 4.556 -0.608 0.000 0.269 692 H C 0.316 175.892 175.328 0.413 0.000 0.980 692 H CA 0.156 56.488 56.048 0.472 0.000 1.152 692 H CB -0.102 29.916 29.762 0.428 0.000 1.407 692 H HN 0.246 nan 8.280 nan 0.000 0.564 693 Q N 2.134 122.215 119.800 0.468 0.000 2.331 693 Q HA 0.132 4.107 4.340 -0.608 0.000 0.257 693 Q C -0.549 175.684 176.000 0.390 0.000 0.957 693 Q CA -0.317 55.705 55.803 0.366 0.000 0.923 693 Q CB 0.670 29.593 28.738 0.309 0.000 1.212 693 Q HN 0.230 nan 8.270 nan 0.000 0.443 694 E N 3.542 123.914 120.200 0.287 0.000 2.392 694 E HA 0.205 4.191 4.350 -0.608 0.000 0.264 694 E C -0.536 176.195 176.600 0.217 0.000 1.024 694 E CA 0.362 56.891 56.400 0.216 0.000 0.903 694 E CB 0.758 30.565 29.700 0.178 0.000 0.963 694 E HN 0.600 nan 8.360 nan 0.000 0.432 695 M N 2.588 122.324 119.600 0.227 0.000 2.518 695 M HA 0.386 4.501 4.480 -0.608 0.000 0.300 695 M C -1.067 175.349 176.300 0.193 0.000 1.175 695 M CA -0.663 54.787 55.300 0.249 0.000 0.890 695 M CB 1.786 34.583 32.600 0.328 0.000 1.710 695 M HN 0.241 nan 8.290 nan 0.000 0.453 696 L N 1.919 123.272 121.223 0.217 0.000 2.307 696 L HA 0.505 4.481 4.340 -0.608 0.000 0.284 696 L C -0.418 176.551 176.870 0.164 0.000 1.023 696 L CA -0.387 54.585 54.840 0.220 0.000 0.810 696 L CB 1.546 43.789 42.059 0.308 0.000 1.231 696 L HN 0.700 nan 8.230 nan 0.000 0.423 697 N N 2.952 121.736 118.700 0.140 0.000 2.408 697 N HA 0.526 4.901 4.740 -0.608 0.000 0.280 697 N C -1.729 173.855 175.510 0.122 0.000 1.002 697 N CA -0.407 52.653 53.050 0.017 0.000 0.907 697 N CB 1.269 39.774 38.487 0.030 0.000 1.161 697 N HN 0.479 nan 8.380 nan 0.000 0.488 698 Y N 0.136 120.455 120.300 0.033 0.000 2.656 698 Y HA 0.485 4.670 4.550 -0.607 0.000 0.334 698 Y C -1.269 174.641 175.900 0.017 0.000 1.179 698 Y CA -1.350 56.767 58.100 0.029 0.000 1.050 698 Y CB 0.815 39.305 38.460 0.050 0.000 1.308 698 Y HN 0.178 nan 8.280 nan 0.000 0.456 699 R N 2.568 123.175 120.500 0.178 0.000 2.229 699 R HA 0.606 4.582 4.340 -0.608 0.000 0.332 699 R C -1.374 174.998 176.300 0.120 0.000 0.989 699 R CA -0.600 55.551 56.100 0.085 0.000 0.842 699 R CB 1.274 31.610 30.300 0.060 0.000 1.119 699 R HN 0.689 nan 8.270 nan 0.000 0.456 700 L N 1.742 123.010 121.223 0.076 0.000 2.330 700 L HA 0.508 4.483 4.340 -0.608 0.000 0.271 700 L C 0.654 177.546 176.870 0.037 0.000 1.013 700 L CA -0.879 54.007 54.840 0.076 0.000 0.816 700 L CB 2.160 44.264 42.059 0.074 0.000 1.287 700 L HN 0.619 nan 8.230 nan 0.000 0.435 701 T N -1.097 113.487 114.554 0.050 0.000 2.895 701 T HA 0.597 4.583 4.350 -0.608 0.000 0.283 701 T C -2.624 172.130 174.700 0.090 0.000 1.014 701 T CA -2.186 59.939 62.100 0.042 0.000 1.037 701 T CB 1.597 70.494 68.868 0.047 0.000 1.006 701 T HN 0.186 nan 8.240 nan 0.000 0.468 702 P HA 0.327 nan 4.420 nan 0.000 0.270 702 P C -0.596 176.636 177.300 -0.112 0.000 1.223 702 P CA -0.256 62.821 63.100 -0.037 0.000 0.785 702 P CB 0.502 32.168 31.700 -0.057 0.000 0.923 703 S N 0.002 115.588 115.700 -0.191 0.000 2.579 703 S HA 0.650 4.756 4.470 -0.608 0.000 0.272 703 S C -1.239 173.172 174.600 -0.315 0.000 1.141 703 S CA -0.828 57.257 58.200 -0.192 0.000 0.843 703 S CB 0.746 63.912 63.200 -0.057 0.000 1.122 703 S HN 0.132 nan 8.310 nan 0.000 0.468 704 F N 1.344 121.286 119.950 -0.013 0.000 2.408 704 F HA 0.564 4.726 4.527 -0.609 0.000 0.344 704 F C 0.884 176.701 175.800 0.028 0.000 1.112 704 F CA -0.278 57.728 58.000 0.010 0.000 1.096 704 F CB 1.259 40.250 39.000 -0.015 0.000 1.129 704 F HN 0.485 nan 8.300 nan 0.000 0.486 705 E N 2.171 122.511 120.200 0.233 0.000 2.312 705 E HA 0.152 4.138 4.350 -0.608 0.000 0.267 705 E C -1.468 175.236 176.600 0.174 0.000 0.894 705 E CA -1.000 55.495 56.400 0.158 0.000 0.773 705 E CB 2.601 32.358 29.700 0.094 0.000 1.241 705 E HN 0.522 nan 8.360 nan 0.000 0.432 706 Y N 2.291 122.613 120.300 0.036 0.000 2.397 706 Y HA 0.044 4.231 4.550 -0.605 0.000 0.335 706 Y C 0.171 176.070 175.900 -0.002 0.000 1.213 706 Y CA 0.308 58.418 58.100 0.016 0.000 1.391 706 Y CB 0.692 39.151 38.460 -0.001 0.000 1.293 706 Y HN 0.356 nan 8.280 nan 0.000 0.557 707 Q N 6.453 125.845 119.800 -0.681 0.000 2.389 707 Q HA 0.593 4.569 4.340 -0.608 0.000 0.277 707 Q C -3.085 172.494 176.000 -0.701 0.000 1.082 707 Q CA -2.446 53.079 55.803 -0.464 0.000 0.810 707 Q CB 2.520 31.099 28.738 -0.265 0.000 1.374 707 Q HN 0.360 nan 8.270 nan 0.000 0.422 708 P HA 0.075 nan 4.420 nan 0.000 0.274 708 P C -0.711 176.274 177.300 -0.524 0.000 1.231 708 P CA -0.147 62.738 63.100 -0.358 0.000 0.790 708 P CB 0.466 32.046 31.700 -0.199 0.000 0.951 709 D N 3.369 123.384 120.400 -0.641 0.000 2.586 709 D HA -0.049 4.227 4.640 -0.608 0.000 0.234 709 D C -1.026 174.600 176.300 -1.123 0.000 1.132 709 D CA -0.579 52.755 54.000 -1.110 0.000 0.860 709 D CB 0.124 39.907 40.800 -1.694 0.000 1.159 709 D HN 0.294 nan 8.370 nan 0.000 0.490 710 P HA -0.133 nan 4.420 nan 0.000 0.220 710 P C 1.436 178.248 177.300 -0.813 0.000 1.148 710 P CA 0.987 63.521 63.100 -0.943 0.000 0.803 710 P CB -0.109 30.804 31.700 -1.312 0.000 0.782 711 W N 0.931 121.790 121.300 -0.736 0.000 2.392 711 W HA -0.020 4.272 4.660 -0.613 0.000 0.279 711 W C 1.469 177.976 176.519 -0.020 0.000 1.225 711 W CA 0.594 57.762 57.345 -0.296 0.000 1.233 711 W CB -2.315 27.128 29.460 -0.028 0.000 1.122 711 W HN -0.165 nan 8.180 nan 0.000 0.561 712 N N 0.546 119.167 118.700 -0.131 0.000 2.244 712 N HA -0.104 4.271 4.740 -0.608 0.000 0.183 712 N C 1.387 176.886 175.510 -0.018 0.000 1.016 712 N CA 2.267 55.302 53.050 -0.025 0.000 0.866 712 N CB -0.690 37.717 38.487 -0.133 0.000 0.980 712 N HN 0.316 nan 8.380 nan 0.000 0.430 713 T N -1.009 113.490 114.554 -0.092 0.000 3.033 713 T HA -0.011 3.974 4.350 -0.608 0.000 0.248 713 T C 0.653 175.351 174.700 -0.003 0.000 1.040 713 T CA 0.037 62.100 62.100 -0.061 0.000 1.133 713 T CB -0.077 68.722 68.868 -0.116 0.000 0.895 713 T HN 0.245 nan 8.240 nan 0.000 0.465 714 H N 2.246 121.257 119.070 -0.099 0.000 2.790 714 H HA 0.376 4.570 4.556 -0.603 0.000 0.358 714 H C -0.395 174.896 175.328 -0.062 0.000 1.103 714 H CA -0.335 55.649 56.048 -0.106 0.000 1.426 714 H CB 0.490 30.171 29.762 -0.134 0.000 1.424 714 H HN 0.037 nan 8.280 nan 0.000 0.599 715 V N 2.330 121.784 119.914 -0.766 0.000 2.495 715 V HA 0.356 4.112 4.120 -0.608 0.000 0.298 715 V C -0.384 175.353 176.094 -0.594 0.000 1.031 715 V CA -1.147 60.892 62.300 -0.433 0.000 0.871 715 V CB 0.777 32.473 31.823 -0.212 0.000 0.988 715 V HN 0.682 nan 8.190 nan 0.000 0.432 716 W N 0.000 121.229 121.300 -0.119 0.000 2.388 716 W HA 0.000 4.289 4.660 -0.618 0.000 0.303 716 W CA 0.000 57.357 57.345 0.020 0.000 1.226 716 W CB 0.000 29.513 29.460 0.088 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535