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 1k2u_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 0.000 176.538 176.300 0.396 0.000 0.893 299 R CA 0.000 56.242 56.100 0.236 0.000 0.921 299 R CB 0.000 30.414 30.300 0.190 0.000 0.687 300 F N 1.980 122.004 119.950 0.123 0.000 2.941 300 F HA 0.545 3.779 4.527 -2.155 0.000 0.359 300 F C -1.262 174.591 175.800 0.089 0.000 1.231 300 F CA -0.538 57.534 58.000 0.119 0.000 1.089 300 F CB 1.837 40.869 39.000 0.053 0.000 1.407 300 F HN 0.161 nan 8.300 nan 0.000 0.538 301 L N 4.358 125.639 121.223 0.097 0.000 2.325 301 L HA 0.568 3.614 4.340 -2.155 0.000 0.278 301 L C -0.268 176.615 176.870 0.023 0.000 1.023 301 L CA -0.826 54.013 54.840 -0.001 0.000 0.811 301 L CB 1.854 43.789 42.059 -0.207 0.000 1.249 301 L HN 0.404 nan 8.230 nan 0.000 0.431 302 K N 1.677 122.093 120.400 0.027 0.000 2.208 302 K HA 0.730 3.756 4.320 -2.155 0.000 0.247 302 K C -1.327 175.264 176.600 -0.016 0.000 0.953 302 K CA -0.801 55.493 56.287 0.011 0.000 0.837 302 K CB 2.759 35.265 32.500 0.009 0.000 1.131 302 K HN 0.208 nan 8.250 nan 0.000 0.431 303 V N 2.481 122.355 119.914 -0.067 0.000 2.577 303 V HA 0.271 3.098 4.120 -2.155 0.000 0.303 303 V C -0.746 175.264 176.094 -0.139 0.000 1.042 303 V CA -0.822 61.433 62.300 -0.075 0.000 0.872 303 V CB 1.785 33.563 31.823 -0.075 0.000 0.998 303 V HN 0.657 nan 8.190 nan 0.000 0.423 304 K N 4.362 124.685 120.400 -0.128 0.000 2.182 304 K HA 0.427 3.454 4.320 -2.155 0.000 0.262 304 K C -0.519 175.953 176.600 -0.213 0.000 0.957 304 K CA -0.639 55.489 56.287 -0.265 0.000 0.842 304 K CB 1.310 33.503 32.500 -0.512 0.000 1.099 304 K HN 0.697 nan 8.250 nan 0.000 0.438 305 N N 4.260 122.850 118.700 -0.183 0.000 2.426 305 N HA 0.077 3.524 4.740 -2.155 0.000 0.257 305 N C -0.360 175.110 175.510 -0.066 0.000 1.002 305 N CA -0.357 52.695 53.050 0.003 0.000 0.942 305 N CB 0.471 38.979 38.487 0.034 0.000 1.112 305 N HN 0.667 nan 8.380 nan 0.000 0.499 306 W N 2.168 123.536 121.300 0.114 0.000 3.077 306 W HA 0.147 3.513 4.660 -2.156 0.000 0.245 306 W C 1.898 178.466 176.519 0.081 0.000 1.316 306 W CA -0.220 57.188 57.345 0.104 0.000 1.537 306 W CB 0.272 29.815 29.460 0.139 0.000 1.131 306 W HN 0.662 nan 8.180 nan 0.000 0.695 307 E N -0.353 119.970 120.200 0.206 0.000 2.290 307 E HA -0.077 2.980 4.350 -2.155 0.000 0.197 307 E C 1.712 178.324 176.600 0.020 0.000 0.948 307 E CA 1.534 57.959 56.400 0.042 0.000 0.895 307 E CB 0.259 29.918 29.700 -0.068 0.000 0.865 307 E HN 0.196 nan 8.360 nan 0.000 0.486 308 T N -2.835 111.729 114.554 0.017 0.000 3.040 308 T HA 0.161 3.217 4.350 -2.155 0.000 0.266 308 T C 0.544 175.215 174.700 -0.049 0.000 1.005 308 T CA 0.213 62.305 62.100 -0.013 0.000 0.906 308 T CB 0.505 69.369 68.868 -0.008 0.000 1.082 308 T HN 0.037 nan 8.240 nan 0.000 0.531 309 D N 0.211 120.559 120.400 -0.087 0.000 2.758 309 D HA -0.150 3.197 4.640 -2.155 0.000 0.191 309 D C 0.115 176.312 176.300 -0.172 0.000 1.036 309 D CA 0.817 54.719 54.000 -0.163 0.000 1.030 309 D CB -1.484 39.246 40.800 -0.116 0.000 1.109 309 D HN 0.439 nan 8.370 nan 0.000 0.430 310 V N 1.532 121.372 119.914 -0.123 0.000 2.584 310 V HA 0.012 2.839 4.120 -2.155 0.000 0.303 310 V C 0.892 176.889 176.094 -0.162 0.000 1.035 310 V CA 0.453 62.681 62.300 -0.120 0.000 1.172 310 V CB 1.230 32.997 31.823 -0.093 0.000 0.896 310 V HN -0.021 nan 8.190 nan 0.000 0.486 311 V N 6.883 126.704 119.914 -0.155 0.000 2.555 311 V HA 0.557 3.384 4.120 -2.155 0.000 0.302 311 V C -0.099 175.893 176.094 -0.169 0.000 1.038 311 V CA -0.543 61.656 62.300 -0.169 0.000 0.887 311 V CB 1.703 33.442 31.823 -0.139 0.000 0.991 311 V HN 0.655 nan 8.190 nan 0.000 0.434 312 L N 3.126 124.203 121.223 -0.245 0.000 2.354 312 L HA 0.701 3.748 4.340 -2.155 0.000 0.269 312 L C -0.075 176.700 176.870 -0.159 0.000 1.005 312 L CA -0.491 54.168 54.840 -0.301 0.000 0.819 312 L CB 2.452 44.020 42.059 -0.818 0.000 1.311 312 L HN 0.519 nan 8.230 nan 0.000 0.423 313 T N -0.110 114.459 114.554 0.025 0.000 2.824 313 T HA 0.263 3.320 4.350 -2.155 0.000 0.280 313 T C -0.884 173.941 174.700 0.207 0.000 0.995 313 T CA -0.454 61.700 62.100 0.089 0.000 1.009 313 T CB 1.609 70.527 68.868 0.084 0.000 0.955 313 T HN 0.460 nan 8.240 nan 0.000 0.452 314 D N 1.521 122.010 120.400 0.148 0.000 2.308 314 D HA 0.323 3.670 4.640 -2.155 0.000 0.242 314 D C 0.617 176.872 176.300 -0.073 0.000 1.059 314 D CA -0.388 53.684 54.000 0.121 0.000 0.830 314 D CB 1.815 42.761 40.800 0.244 0.000 1.161 314 D HN 0.667 nan 8.370 nan 0.000 0.494 315 T N 0.641 115.061 114.554 -0.223 0.000 2.966 315 T HA 0.052 3.109 4.350 -2.155 0.000 0.254 315 T C 2.077 176.528 174.700 -0.416 0.000 0.961 315 T CA -0.238 61.602 62.100 -0.433 0.000 0.915 315 T CB -0.072 68.487 68.868 -0.515 0.000 1.186 315 T HN 0.324 nan 8.240 nan 0.000 0.505 316 L N 2.351 123.412 121.223 -0.270 0.000 2.129 316 L HA -0.182 2.865 4.340 -2.155 0.000 0.212 316 L C 3.035 179.660 176.870 -0.409 0.000 1.087 316 L CA 2.089 56.787 54.840 -0.236 0.000 0.757 316 L CB -0.472 41.530 42.059 -0.094 0.000 0.896 316 L HN 0.571 nan 8.230 nan 0.000 0.434 317 H N -0.632 117.990 119.070 -0.746 0.000 2.489 317 H HA -0.195 3.068 4.556 -2.156 0.000 0.295 317 H C 1.958 176.957 175.328 -0.548 0.000 1.082 317 H CA 1.176 56.489 56.048 -1.224 0.000 1.295 317 H CB -0.825 28.229 29.762 -1.180 0.000 1.380 317 H HN 0.417 nan 8.280 nan 0.000 0.548 318 L N 0.543 121.212 121.223 -0.923 0.000 2.450 318 L HA -0.088 2.959 4.340 -2.155 0.000 0.224 318 L C 1.573 178.271 176.870 -0.288 0.000 1.149 318 L CA 1.099 55.602 54.840 -0.562 0.000 0.816 318 L CB -0.190 41.573 42.059 -0.493 0.000 0.932 318 L HN 0.206 nan 8.230 nan 0.000 0.449 319 K N -0.612 119.637 120.400 -0.252 0.000 2.493 319 K HA 0.117 3.143 4.320 -2.155 0.000 0.207 319 K C 0.600 177.159 176.600 -0.068 0.000 1.033 319 K CA -0.157 56.054 56.287 -0.127 0.000 1.161 319 K CB 0.592 33.035 32.500 -0.096 0.000 0.873 319 K HN -0.014 nan 8.250 nan 0.000 0.491 320 S N 1.201 116.850 115.700 -0.085 0.000 2.531 320 S HA 0.050 3.227 4.470 -2.155 0.000 0.279 320 S C 1.121 175.726 174.600 0.009 0.000 1.305 320 S CA -0.343 57.860 58.200 0.005 0.000 1.058 320 S CB 0.698 63.909 63.200 0.018 0.000 0.899 320 S HN 0.387 nan 8.310 nan 0.000 0.493 321 T N 4.694 119.265 114.554 0.029 0.000 3.115 321 T HA 0.301 3.358 4.350 -2.155 0.000 0.235 321 T C 1.041 175.755 174.700 0.023 0.000 0.999 321 T CA -0.232 61.880 62.100 0.019 0.000 1.276 321 T CB -0.625 68.254 68.868 0.018 0.000 0.967 321 T HN 0.516 nan 8.240 nan 0.000 0.420 322 L N 1.914 123.153 121.223 0.025 0.000 2.476 322 L HA 0.290 3.337 4.340 -2.155 0.000 0.264 322 L C 0.523 177.413 176.870 0.033 0.000 1.224 322 L CA -0.284 54.569 54.840 0.023 0.000 0.821 322 L CB 0.152 42.218 42.059 0.012 0.000 1.101 322 L HN 0.414 nan 8.230 nan 0.000 0.488 323 E N -0.669 119.548 120.200 0.029 0.000 2.283 323 E HA 0.135 3.192 4.350 -2.155 0.000 0.267 323 E C 0.431 177.053 176.600 0.035 0.000 1.045 323 E CA -0.067 56.354 56.400 0.034 0.000 0.884 323 E CB 1.206 30.924 29.700 0.030 0.000 1.106 323 E HN 0.694 nan 8.360 nan 0.000 0.408 324 T N -1.791 112.789 114.554 0.042 0.000 3.057 324 T HA 0.225 3.282 4.350 -2.155 0.000 0.254 324 T C 1.356 176.078 174.700 0.037 0.000 1.094 324 T CA 0.357 62.481 62.100 0.040 0.000 1.088 324 T CB 0.195 69.094 68.868 0.053 0.000 0.934 324 T HN 0.776 nan 8.240 nan 0.000 0.497 325 G N 0.263 109.085 108.800 0.037 0.000 2.213 325 G HA2 -0.215 2.451 3.960 -2.155 0.000 0.226 325 G HA3 -0.215 2.451 3.960 -2.155 0.000 0.226 325 G C 0.195 175.119 174.900 0.041 0.000 0.992 325 G CA -0.237 44.886 45.100 0.039 0.000 0.632 325 G HN 0.725 nan 8.290 nan 0.000 0.511 326 C N 1.908 121.232 119.300 0.041 0.000 2.370 326 C HA 0.879 4.046 4.460 -2.155 0.000 0.354 326 C C 1.080 176.092 174.990 0.037 0.000 1.218 326 C CA 0.450 59.491 59.018 0.039 0.000 2.154 326 C CB 0.858 28.620 27.740 0.036 0.000 2.391 326 C HN 0.860 nan 8.230 nan 0.000 0.540 327 T N -0.371 114.206 114.554 0.039 0.000 2.762 327 T HA 0.433 3.490 4.350 -2.155 0.000 0.272 327 T C 0.432 175.135 174.700 0.005 0.000 0.982 327 T CA -0.405 61.716 62.100 0.035 0.000 1.013 327 T CB 0.920 69.830 68.868 0.071 0.000 1.309 327 T HN 0.493 nan 8.240 nan 0.000 0.572 328 E N -0.518 119.655 120.200 -0.044 0.000 2.299 328 E HA 0.063 3.120 4.350 -2.155 0.000 0.193 328 E C 1.704 178.195 176.600 -0.182 0.000 0.998 328 E CA 0.696 57.016 56.400 -0.133 0.000 0.851 328 E CB -0.143 29.427 29.700 -0.217 0.000 0.795 328 E HN 0.564 nan 8.360 nan 0.000 0.492 329 H N -0.892 118.184 119.070 0.010 0.000 2.562 329 H HA 0.353 3.616 4.556 -2.156 0.000 0.267 329 H C 0.228 175.561 175.328 0.008 0.000 0.959 329 H CA 0.428 56.481 56.048 0.008 0.000 1.204 329 H CB 0.981 30.749 29.762 0.009 0.000 1.430 329 H HN 0.110 nan 8.280 nan 0.000 0.545 330 I N -0.007 120.628 120.570 0.109 0.000 2.775 330 I HA 0.145 3.022 4.170 -2.155 0.000 0.295 330 I C -1.221 174.923 176.117 0.045 0.000 1.287 330 I CA -0.708 60.634 61.300 0.070 0.000 1.029 330 I CB 2.433 40.475 38.000 0.070 0.000 1.282 330 I HN -0.033 nan 8.210 nan 0.000 0.426 331 C N 7.637 126.957 119.300 0.033 0.000 2.303 331 C HA 0.518 3.685 4.460 -2.155 0.000 0.326 331 C C 0.884 175.895 174.990 0.035 0.000 1.285 331 C CA -0.541 58.494 59.018 0.028 0.000 1.675 331 C CB 0.655 28.403 27.740 0.013 0.000 2.289 331 C HN 0.809 nan 8.230 nan 0.000 0.512 332 M N 4.611 124.236 119.600 0.042 0.000 2.404 332 M HA 0.168 3.355 4.480 -2.155 0.000 0.271 332 M C 1.946 178.283 176.300 0.062 0.000 1.128 332 M CA 0.320 55.650 55.300 0.050 0.000 0.982 332 M CB -0.463 32.167 32.600 0.050 0.000 1.445 332 M HN 1.046 nan 8.290 nan 0.000 0.495 333 G N 1.840 110.675 108.800 0.060 0.000 2.597 333 G HA2 -0.308 2.358 3.960 -2.155 0.000 0.222 333 G HA3 -0.308 2.358 3.960 -2.155 0.000 0.222 333 G C 1.440 176.410 174.900 0.117 0.000 1.135 333 G CA 1.826 46.974 45.100 0.080 0.000 0.759 333 G HN 0.596 nan 8.290 nan 0.000 0.595 334 S N -0.300 115.465 115.700 0.108 0.000 2.605 334 S HA 0.357 3.534 4.470 -2.155 0.000 0.217 334 S C 0.644 175.325 174.600 0.135 0.000 0.958 334 S CA -0.572 57.709 58.200 0.135 0.000 0.919 334 S CB 0.071 63.335 63.200 0.106 0.000 0.780 334 S HN 0.085 nan 8.310 nan 0.000 0.507 335 I N 2.396 123.037 120.570 0.118 0.000 2.379 335 I HA 0.245 3.121 4.170 -2.155 0.000 0.290 335 I C 1.451 177.657 176.117 0.148 0.000 1.063 335 I CA -0.242 61.124 61.300 0.111 0.000 1.351 335 I CB 0.284 38.334 38.000 0.082 0.000 1.410 335 I HN 0.309 nan 8.210 nan 0.000 0.505 336 M N 6.682 126.387 119.600 0.174 0.000 2.255 336 M HA -0.171 3.016 4.480 -2.155 0.000 0.259 336 M C -0.273 176.152 176.300 0.209 0.000 1.071 336 M CA 1.926 57.370 55.300 0.240 0.000 1.074 336 M CB 0.060 32.784 32.600 0.207 0.000 1.384 336 M HN 0.538 nan 8.290 nan 0.000 0.415 337 L N -2.685 118.625 121.223 0.144 0.000 2.727 337 L HA 0.543 3.590 4.340 -2.155 0.000 0.255 337 L C -2.679 174.248 176.870 0.094 0.000 0.983 337 L CA -1.595 53.333 54.840 0.148 0.000 0.945 337 L CB -1.064 41.090 42.059 0.159 0.000 1.242 337 L HN -0.197 nan 8.230 nan 0.000 0.449 351 K N 0.768 121.205 120.400 0.063 0.000 2.097 351 K HA -0.247 2.780 4.320 -2.155 0.000 0.214 351 K C 1.280 177.936 176.600 0.093 0.000 1.052 351 K CA 2.259 58.590 56.287 0.073 0.000 0.932 351 K CB -0.111 32.416 32.500 0.043 0.000 0.716 351 K HN 0.539 nan 8.250 nan 0.000 0.455 352 D N 0.553 120.996 120.400 0.072 0.000 2.117 352 D HA -0.139 3.208 4.640 -2.155 0.000 0.198 352 D C 2.119 178.471 176.300 0.087 0.000 0.982 352 D CA 1.245 55.292 54.000 0.079 0.000 0.828 352 D CB -0.117 40.715 40.800 0.052 0.000 0.967 352 D HN 0.396 nan 8.370 nan 0.000 0.464 353 Q N 0.046 119.888 119.800 0.070 0.000 2.049 353 Q HA -0.077 2.970 4.340 -2.155 0.000 0.198 353 Q C 2.293 178.335 176.000 0.069 0.000 0.971 353 Q CA 0.519 56.357 55.803 0.058 0.000 0.833 353 Q CB -0.110 28.654 28.738 0.045 0.000 0.896 353 Q HN 0.140 nan 8.270 nan 0.000 0.434 354 L N 0.265 121.544 121.223 0.094 0.000 2.046 354 L HA -0.136 2.911 4.340 -2.155 0.000 0.208 354 L C 2.067 179.008 176.870 0.119 0.000 1.077 354 L CA 1.575 56.486 54.840 0.118 0.000 0.747 354 L CB -0.578 41.572 42.059 0.151 0.000 0.896 354 L HN 0.125 nan 8.230 nan 0.000 0.432 355 F N 1.769 121.720 119.950 0.002 0.000 2.102 355 F HA -0.040 3.194 4.527 -2.156 0.000 0.298 355 F C -0.554 175.241 175.800 -0.008 0.000 1.105 355 F CA 1.299 59.278 58.000 -0.035 0.000 1.239 355 F CB -1.752 37.222 39.000 -0.042 0.000 0.991 355 F HN 0.179 nan 8.300 nan 0.000 0.474 356 P HA -0.224 nan 4.420 nan 0.000 0.215 356 P C 2.197 179.376 177.300 -0.202 0.000 1.157 356 P CA 1.923 64.884 63.100 -0.233 0.000 0.868 356 P CB -0.288 31.384 31.700 -0.047 0.000 0.788 357 L N -0.495 120.677 121.223 -0.085 0.000 2.042 357 L HA -0.195 2.852 4.340 -2.155 0.000 0.210 357 L C 2.891 179.767 176.870 0.011 0.000 1.076 357 L CA 1.825 56.657 54.840 -0.013 0.000 0.749 357 L CB -1.349 40.728 42.059 0.029 0.000 0.893 357 L HN -0.036 nan 8.230 nan 0.000 0.432 358 A N 0.178 122.964 122.820 -0.057 0.000 1.883 358 A HA -0.278 2.749 4.320 -2.155 0.000 0.217 358 A C 2.411 179.950 177.584 -0.075 0.000 1.186 358 A CA 2.153 54.177 52.037 -0.023 0.000 0.624 358 A CB -0.518 18.312 19.000 -0.284 0.000 0.822 358 A HN 0.376 nan 8.150 nan 0.000 0.444 359 K N -0.090 120.085 120.400 -0.377 0.000 2.032 359 K HA -0.236 2.790 4.320 -2.155 0.000 0.209 359 K C 2.113 178.684 176.600 -0.048 0.000 1.048 359 K CA 1.782 57.888 56.287 -0.301 0.000 0.927 359 K CB -0.250 31.924 32.500 -0.544 0.000 0.712 359 K HN 0.634 nan 8.250 nan 0.000 0.441 360 E N -0.189 119.997 120.200 -0.024 0.000 2.070 360 E HA -0.251 2.806 4.350 -2.155 0.000 0.197 360 E C 1.930 178.615 176.600 0.141 0.000 1.004 360 E CA 1.488 57.926 56.400 0.063 0.000 0.805 360 E CB -0.298 29.437 29.700 0.058 0.000 0.744 360 E HN 0.383 nan 8.360 nan 0.000 0.451 361 F N 1.583 121.558 119.950 0.041 0.000 2.051 361 F HA -0.168 3.067 4.527 -2.154 0.000 0.296 361 F C 2.090 177.960 175.800 0.116 0.000 1.122 361 F CA 1.616 59.671 58.000 0.090 0.000 1.201 361 F CB -0.617 38.448 39.000 0.108 0.000 0.978 361 F HN 0.008 nan 8.300 nan 0.000 0.472 362 L N 0.069 121.223 121.223 -0.115 0.000 2.081 362 L HA -0.266 2.781 4.340 -2.155 0.000 0.212 362 L C 2.126 178.970 176.870 -0.044 0.000 1.080 362 L CA 1.728 56.502 54.840 -0.111 0.000 0.754 362 L CB -1.021 41.108 42.059 0.116 0.000 0.893 362 L HN 0.129 nan 8.230 nan 0.000 0.433 363 D N -0.280 120.158 120.400 0.063 0.000 2.092 363 D HA -0.213 3.134 4.640 -2.155 0.000 0.193 363 D C 2.370 178.727 176.300 0.094 0.000 0.994 363 D CA 1.284 55.416 54.000 0.221 0.000 0.828 363 D CB -0.117 40.885 40.800 0.336 0.000 0.963 363 D HN 0.374 nan 8.370 nan 0.000 0.450 364 Q N -0.920 118.867 119.800 -0.023 0.000 2.061 364 Q HA -0.218 2.829 4.340 -2.155 0.000 0.204 364 Q C 2.050 177.878 176.000 -0.287 0.000 0.984 364 Q CA 1.279 57.027 55.803 -0.091 0.000 0.846 364 Q CB -0.371 28.373 28.738 0.011 0.000 0.902 364 Q HN 0.414 nan 8.270 nan 0.000 0.421 365 Y N 0.545 120.434 120.300 -0.685 0.000 2.053 365 Y HA -0.342 2.915 4.550 -2.154 0.000 0.277 365 Y C 1.903 177.355 175.900 -0.747 0.000 1.159 365 Y CA 1.738 59.167 58.100 -1.118 0.000 1.125 365 Y CB -0.730 36.970 38.460 -1.267 0.000 0.969 365 Y HN 0.091 nan 8.280 nan 0.000 0.492 366 Y N -0.636 119.241 120.300 -0.706 0.000 2.274 366 Y HA -0.230 3.027 4.550 -2.155 0.000 0.290 366 Y C 3.113 178.800 175.900 -0.355 0.000 1.145 366 Y CA 1.830 59.554 58.100 -0.627 0.000 1.203 366 Y CB -0.830 37.203 38.460 -0.711 0.000 0.984 366 Y HN 0.236 nan 8.280 nan 0.000 0.533 367 S N -0.511 115.137 115.700 -0.087 0.000 2.368 367 S HA -0.218 2.959 4.470 -2.155 0.000 0.225 367 S C 2.374 176.871 174.600 -0.171 0.000 1.030 367 S CA 1.604 59.752 58.200 -0.088 0.000 0.999 367 S CB -0.667 62.408 63.200 -0.208 0.000 0.844 367 S HN 0.610 nan 8.310 nan 0.000 0.459 368 S N 1.912 117.453 115.700 -0.265 0.000 2.399 368 S HA -0.054 3.123 4.470 -2.155 0.000 0.231 368 S C 1.699 176.152 174.600 -0.245 0.000 1.022 368 S CA 1.086 59.165 58.200 -0.202 0.000 0.983 368 S CB -0.949 62.156 63.200 -0.158 0.000 0.803 368 S HN 0.814 nan 8.310 nan 0.000 0.480 369 I N -2.131 118.182 120.570 -0.428 0.000 3.861 369 I HA 0.399 3.275 4.170 -2.155 0.000 0.329 369 I C -0.099 175.899 176.117 -0.198 0.000 1.321 369 I CA -0.548 60.531 61.300 -0.368 0.000 1.126 369 I CB -0.628 36.994 38.000 -0.630 0.000 1.018 369 I HN 0.021 nan 8.210 nan 0.000 0.407 370 K N 1.750 122.074 120.400 -0.126 0.000 3.077 370 K HA -0.145 2.882 4.320 -2.155 0.000 0.264 370 K C -0.179 176.429 176.600 0.013 0.000 1.008 370 K CA 0.331 56.596 56.287 -0.036 0.000 0.740 370 K CB -1.000 31.481 32.500 -0.032 0.000 1.273 370 K HN 0.466 nan 8.250 nan 0.000 0.477 371 R N 0.220 120.754 120.500 0.056 0.000 2.637 371 R HA 0.141 3.188 4.340 -2.155 0.000 0.446 371 R C -0.586 175.849 176.300 0.225 0.000 1.024 371 R CA -0.468 55.718 56.100 0.142 0.000 1.080 371 R CB -0.079 30.341 30.300 0.200 0.000 1.421 371 R HN 0.147 nan 8.270 nan 0.000 0.593 372 F N 1.130 121.124 119.950 0.073 0.000 2.541 372 F HA 0.304 3.537 4.527 -2.156 0.000 0.378 372 F C 1.450 177.357 175.800 0.179 0.000 1.068 372 F CA 1.745 59.842 58.000 0.162 0.000 1.199 372 F CB 0.573 39.615 39.000 0.070 0.000 1.091 372 F HN 0.573 nan 8.300 nan 0.000 0.555 373 G N 2.878 111.537 108.800 -0.235 0.000 2.358 373 G HA2 -0.301 2.366 3.960 -2.155 0.000 0.224 373 G HA3 -0.301 2.366 3.960 -2.155 0.000 0.224 373 G C 0.552 175.298 174.900 -0.256 0.000 1.073 373 G CA 0.185 45.033 45.100 -0.420 0.000 0.635 373 G HN 1.310 nan 8.290 nan 0.000 0.509 374 S N 0.673 116.313 115.700 -0.101 0.000 2.527 374 S HA 0.059 3.236 4.470 -2.155 0.000 0.274 374 S C 1.356 175.880 174.600 -0.126 0.000 1.349 374 S CA 1.372 59.529 58.200 -0.071 0.000 1.011 374 S CB 0.811 64.015 63.200 0.007 0.000 0.837 374 S HN 0.755 nan 8.310 nan 0.000 0.524 375 K N 1.235 121.584 120.400 -0.085 0.000 2.097 375 K HA -0.114 2.913 4.320 -2.155 0.000 0.206 375 K C 2.423 178.968 176.600 -0.091 0.000 1.049 375 K CA 1.236 57.469 56.287 -0.090 0.000 0.933 375 K CB -0.904 31.566 32.500 -0.051 0.000 0.717 375 K HN 0.764 nan 8.250 nan 0.000 0.442 376 A N 0.711 123.503 122.820 -0.045 0.000 1.873 376 A HA -0.277 2.749 4.320 -2.155 0.000 0.218 376 A C 2.010 179.475 177.584 -0.199 0.000 1.193 376 A CA 2.036 54.077 52.037 0.005 0.000 0.629 376 A CB -1.119 17.984 19.000 0.172 0.000 0.826 376 A HN 0.641 nan 8.150 nan 0.000 0.447 377 H N -1.355 117.286 119.070 -0.716 0.000 2.290 377 H HA -0.166 3.097 4.556 -2.155 0.000 0.298 377 H C 2.180 177.133 175.328 -0.624 0.000 1.087 377 H CA 1.683 56.928 56.048 -1.338 0.000 1.291 377 H CB -0.084 29.024 29.762 -1.089 0.000 1.369 377 H HN 0.352 nan 8.280 nan 0.000 0.492 378 M N 0.867 120.246 119.600 -0.369 0.000 2.086 378 M HA -0.170 3.017 4.480 -2.155 0.000 0.261 378 M C 1.837 178.045 176.300 -0.152 0.000 1.067 378 M CA 1.208 56.329 55.300 -0.299 0.000 1.116 378 M CB -0.866 31.579 32.600 -0.258 0.000 1.348 378 M HN 0.377 nan 8.290 nan 0.000 0.407 379 D N -0.045 120.289 120.400 -0.111 0.000 2.092 379 D HA -0.187 3.159 4.640 -2.155 0.000 0.193 379 D C 2.075 178.368 176.300 -0.011 0.000 0.994 379 D CA 1.386 55.357 54.000 -0.048 0.000 0.828 379 D CB -0.400 40.387 40.800 -0.022 0.000 0.963 379 D HN 0.154 nan 8.370 nan 0.000 0.450 380 R N 0.773 121.278 120.500 0.009 0.000 2.091 380 R HA -0.127 2.919 4.340 -2.155 0.000 0.238 380 R C 2.108 178.456 176.300 0.080 0.000 1.136 380 R CA 0.757 56.907 56.100 0.084 0.000 0.959 380 R CB -0.986 29.425 30.300 0.186 0.000 0.856 380 R HN 0.142 nan 8.270 nan 0.000 0.437 381 L N 0.821 122.072 121.223 0.048 0.000 2.017 381 L HA -0.103 2.944 4.340 -2.155 0.000 0.208 381 L C 2.082 179.019 176.870 0.111 0.000 1.073 381 L CA 2.322 57.223 54.840 0.101 0.000 0.745 381 L CB -1.136 40.943 42.059 0.034 0.000 0.894 381 L HN 0.334 nan 8.230 nan 0.000 0.432 382 E N -0.219 119.991 120.200 0.017 0.000 2.047 382 E HA -0.259 2.798 4.350 -2.155 0.000 0.191 382 E C 2.175 178.757 176.600 -0.030 0.000 0.987 382 E CA 1.643 58.023 56.400 -0.034 0.000 0.799 382 E CB -0.269 29.401 29.700 -0.051 0.000 0.752 382 E HN 0.564 nan 8.360 nan 0.000 0.449 383 E N -0.431 119.772 120.200 0.005 0.000 2.049 383 E HA -0.217 2.840 4.350 -2.155 0.000 0.198 383 E C 2.002 178.618 176.600 0.026 0.000 1.007 383 E CA 1.952 58.365 56.400 0.021 0.000 0.809 383 E CB -0.048 29.682 29.700 0.050 0.000 0.749 383 E HN 0.227 nan 8.360 nan 0.000 0.450 384 V N 1.345 121.284 119.914 0.041 0.000 2.307 384 V HA -0.259 2.568 4.120 -2.155 0.000 0.245 384 V C 2.315 178.391 176.094 -0.030 0.000 1.045 384 V CA 1.990 64.287 62.300 -0.006 0.000 1.024 384 V CB -0.955 30.803 31.823 -0.109 0.000 0.651 384 V HN 0.384 nan 8.190 nan 0.000 0.449 385 N N 0.659 119.339 118.700 -0.034 0.000 2.018 385 N HA -0.234 3.213 4.740 -2.155 0.000 0.196 385 N C 1.818 177.173 175.510 -0.259 0.000 1.043 385 N CA 1.728 54.542 53.050 -0.393 0.000 0.856 385 N CB -0.202 37.886 38.487 -0.665 0.000 1.042 385 N HN 0.190 nan 8.380 nan 0.000 0.423 386 K N 0.653 120.958 120.400 -0.158 0.000 2.097 386 K HA -0.142 2.885 4.320 -2.155 0.000 0.206 386 K C 1.951 178.522 176.600 -0.048 0.000 1.049 386 K CA 0.990 57.217 56.287 -0.100 0.000 0.933 386 K CB -0.462 31.998 32.500 -0.066 0.000 0.717 386 K HN 0.537 nan 8.250 nan 0.000 0.442 387 E N 0.551 120.744 120.200 -0.012 0.000 2.110 387 E HA -0.114 2.942 4.350 -2.155 0.000 0.193 387 E C 2.005 178.636 176.600 0.052 0.000 0.988 387 E CA 0.739 57.163 56.400 0.041 0.000 0.804 387 E CB 0.028 29.787 29.700 0.098 0.000 0.745 387 E HN 0.226 nan 8.360 nan 0.000 0.458 388 I N 0.703 121.292 120.570 0.031 0.000 2.252 388 I HA -0.199 2.678 4.170 -2.155 0.000 0.245 388 I C 2.457 178.584 176.117 0.016 0.000 1.102 388 I CA 1.002 62.335 61.300 0.055 0.000 1.385 388 I CB -0.209 37.824 38.000 0.056 0.000 1.064 388 I HN 0.115 nan 8.210 nan 0.000 0.414 389 E N 0.671 120.848 120.200 -0.038 0.000 2.153 389 E HA -0.206 2.850 4.350 -2.155 0.000 0.194 389 E C 2.152 178.743 176.600 -0.016 0.000 0.988 389 E CA 1.645 58.018 56.400 -0.044 0.000 0.811 389 E CB -0.033 29.616 29.700 -0.086 0.000 0.746 389 E HN 0.329 nan 8.360 nan 0.000 0.466 390 S N -1.523 114.175 115.700 -0.004 0.000 2.384 390 S HA -0.036 3.140 4.470 -2.155 0.000 0.217 390 S C 1.845 176.459 174.600 0.024 0.000 1.041 390 S CA 1.167 59.371 58.200 0.008 0.000 0.948 390 S CB -0.529 62.675 63.200 0.008 0.000 0.872 390 S HN 0.445 nan 8.310 nan 0.000 0.512 391 T N 0.109 114.687 114.554 0.039 0.000 3.169 391 T HA 0.186 3.242 4.350 -2.155 0.000 0.250 391 T C 0.958 175.693 174.700 0.059 0.000 1.111 391 T CA 1.046 63.176 62.100 0.050 0.000 1.010 391 T CB -0.543 68.364 68.868 0.064 0.000 0.984 391 T HN 1.100 nan 8.240 nan 0.000 0.537 392 S N -1.317 114.417 115.700 0.057 0.000 3.319 392 S HA -0.218 2.959 4.470 -2.155 0.000 0.319 392 S C 0.356 175.012 174.600 0.094 0.000 1.236 392 S CA 1.190 59.428 58.200 0.064 0.000 0.964 392 S CB -2.917 60.312 63.200 0.049 0.000 1.040 392 S HN 1.186 nan 8.310 nan 0.000 0.620 393 T N -0.651 113.983 114.554 0.133 0.000 2.660 393 T HA 0.568 3.624 4.350 -2.155 0.000 0.299 393 T C -1.724 173.165 174.700 0.316 0.000 1.763 393 T CA -0.110 62.112 62.100 0.203 0.000 0.959 393 T CB 0.631 69.551 68.868 0.088 0.000 1.935 393 T HN 1.537 nan 8.240 nan 0.000 0.470 394 Y N -0.679 119.641 120.300 0.033 0.000 2.750 394 Y HA 0.810 4.068 4.550 -2.153 0.000 0.335 394 Y C -1.713 174.213 175.900 0.043 0.000 1.252 394 Y CA -1.270 56.859 58.100 0.049 0.000 1.064 394 Y CB 0.899 39.408 38.460 0.082 0.000 1.321 394 Y HN 0.492 nan 8.280 nan 0.000 0.451 395 Q N 1.831 121.629 119.800 -0.002 0.000 2.342 395 Q HA 0.427 3.474 4.340 -2.155 0.000 0.267 395 Q C -1.324 174.673 176.000 -0.005 0.000 1.038 395 Q CA -1.032 54.720 55.803 -0.084 0.000 0.832 395 Q CB 2.969 31.715 28.738 0.013 0.000 1.323 395 Q HN 0.585 nan 8.270 nan 0.000 0.448 396 L N 1.703 122.906 121.223 -0.033 0.000 2.371 396 L HA 0.308 3.355 4.340 -2.155 0.000 0.272 396 L C 0.779 177.675 176.870 0.043 0.000 1.124 396 L CA 0.089 54.964 54.840 0.058 0.000 0.816 396 L CB 0.184 42.270 42.059 0.045 0.000 1.129 396 L HN 0.353 nan 8.230 nan 0.000 0.448 397 K N 1.823 122.248 120.400 0.041 0.000 2.219 397 K HA 0.051 3.078 4.320 -2.155 0.000 0.258 397 K C 0.476 177.056 176.600 -0.033 0.000 1.008 397 K CA -0.660 55.631 56.287 0.006 0.000 0.928 397 K CB 0.751 33.251 32.500 -0.002 0.000 0.983 397 K HN 0.394 nan 8.250 nan 0.000 0.484 398 D N 1.105 121.488 120.400 -0.029 0.000 2.126 398 D HA -0.207 3.140 4.640 -2.155 0.000 0.190 398 D C 1.860 178.128 176.300 -0.054 0.000 1.001 398 D CA 2.453 56.428 54.000 -0.041 0.000 0.841 398 D CB -0.550 40.234 40.800 -0.026 0.000 0.949 398 D HN 0.767 nan 8.370 nan 0.000 0.446 399 T N -0.754 113.762 114.554 -0.062 0.000 2.737 399 T HA -0.207 2.850 4.350 -2.155 0.000 0.269 399 T C 1.679 176.276 174.700 -0.172 0.000 1.040 399 T CA 1.499 63.558 62.100 -0.068 0.000 1.142 399 T CB -0.482 68.361 68.868 -0.041 0.000 0.861 399 T HN 0.340 nan 8.240 nan 0.000 0.456 400 E N 0.752 120.766 120.200 -0.310 0.000 2.208 400 E HA 0.094 3.151 4.350 -2.155 0.000 0.193 400 E C 2.099 178.754 176.600 0.092 0.000 0.988 400 E CA 0.519 56.755 56.400 -0.273 0.000 0.828 400 E CB -0.241 29.346 29.700 -0.189 0.000 0.763 400 E HN 0.334 nan 8.360 nan 0.000 0.478 401 L N 1.184 122.399 121.223 -0.014 0.000 2.023 401 L HA -0.097 2.950 4.340 -2.155 0.000 0.205 401 L C 2.118 178.953 176.870 -0.058 0.000 1.073 401 L CA 1.378 56.165 54.840 -0.087 0.000 0.745 401 L CB -0.157 41.811 42.059 -0.153 0.000 0.900 401 L HN 0.069 nan 8.230 nan 0.000 0.435 402 I N -1.468 119.090 120.570 -0.019 0.000 2.127 402 I HA -0.382 2.495 4.170 -2.155 0.000 0.241 402 I C 2.435 178.625 176.117 0.123 0.000 1.075 402 I CA 2.002 63.309 61.300 0.012 0.000 1.334 402 I CB -0.576 37.435 38.000 0.018 0.000 1.040 402 I HN 0.364 nan 8.210 nan 0.000 0.405 403 Y N 1.754 122.105 120.300 0.086 0.000 2.145 403 Y HA -0.203 3.053 4.550 -2.156 0.000 0.286 403 Y C 2.432 178.485 175.900 0.254 0.000 1.145 403 Y CA 1.716 59.947 58.100 0.218 0.000 1.148 403 Y CB -0.861 37.720 38.460 0.202 0.000 0.981 403 Y HN 0.090 nan 8.280 nan 0.000 0.507 404 G N -0.006 108.963 108.800 0.282 0.000 2.476 404 G HA2 -0.329 2.338 3.960 -2.155 0.000 0.218 404 G HA3 -0.329 2.338 3.960 -2.155 0.000 0.218 404 G C 1.804 176.630 174.900 -0.124 0.000 1.164 404 G CA 1.286 46.417 45.100 0.051 0.000 0.768 404 G HN 0.639 nan 8.290 nan 0.000 0.560 405 A N 0.638 123.385 122.820 -0.122 0.000 1.873 405 A HA 0.028 3.055 4.320 -2.155 0.000 0.215 405 A C 2.310 179.899 177.584 0.008 0.000 1.186 405 A CA 1.950 53.905 52.037 -0.136 0.000 0.616 405 A CB -0.363 18.573 19.000 -0.105 0.000 0.823 405 A HN 0.373 nan 8.150 nan 0.000 0.442 406 K N -1.106 119.354 120.400 0.100 0.000 2.097 406 K HA -0.147 2.879 4.320 -2.155 0.000 0.206 406 K C 1.884 178.588 176.600 0.174 0.000 1.049 406 K CA 1.428 57.861 56.287 0.245 0.000 0.933 406 K CB -0.294 32.365 32.500 0.265 0.000 0.717 406 K HN 0.630 nan 8.250 nan 0.000 0.442 407 H N -0.607 118.397 119.070 -0.110 0.000 2.502 407 H HA 0.064 3.326 4.556 -2.156 0.000 0.283 407 H C 1.925 177.110 175.328 -0.238 0.000 1.015 407 H CA 0.844 56.722 56.048 -0.282 0.000 1.298 407 H CB 0.367 29.829 29.762 -0.500 0.000 1.411 407 H HN 0.234 nan 8.280 nan 0.000 0.556 408 A N 0.948 123.653 122.820 -0.192 0.000 1.929 408 A HA -0.166 2.860 4.320 -2.155 0.000 0.216 408 A C 2.167 179.685 177.584 -0.111 0.000 1.176 408 A CA 0.927 52.704 52.037 -0.435 0.000 0.628 408 A CB -0.734 17.571 19.000 -1.158 0.000 0.816 408 A HN 0.491 nan 8.150 nan 0.000 0.444 409 W N 1.111 122.371 121.300 -0.067 0.000 2.379 409 W HA -0.113 3.255 4.660 -2.152 0.000 0.307 409 W C 2.285 178.762 176.519 -0.069 0.000 1.200 409 W CA 1.492 58.881 57.345 0.074 0.000 1.297 409 W CB -0.753 28.748 29.460 0.068 0.000 1.140 409 W HN 0.359 nan 8.180 nan 0.000 0.507 410 R N 0.389 120.839 120.500 -0.083 0.000 2.139 410 R HA -0.187 2.859 4.340 -2.155 0.000 0.243 410 R C 1.413 177.534 176.300 -0.298 0.000 1.145 410 R CA 1.859 57.670 56.100 -0.482 0.000 0.976 410 R CB -0.489 29.142 30.300 -1.116 0.000 0.866 410 R HN 0.126 nan 8.270 nan 0.000 0.449 411 N N 0.057 118.647 118.700 -0.184 0.000 2.336 411 N HA 0.034 3.481 4.740 -2.155 0.000 0.189 411 N C -0.459 174.999 175.510 -0.087 0.000 1.113 411 N CA 0.507 53.470 53.050 -0.145 0.000 0.858 411 N CB 0.828 39.236 38.487 -0.131 0.000 0.970 411 N HN 0.129 nan 8.380 nan 0.000 0.471 412 A N 1.377 124.201 122.820 0.006 0.000 2.785 412 A HA 0.135 3.162 4.320 -2.155 0.000 0.294 412 A C 1.437 179.003 177.584 -0.030 0.000 1.597 412 A CA -0.239 51.805 52.037 0.011 0.000 1.283 412 A CB -0.380 18.687 19.000 0.112 0.000 1.088 412 A HN 0.261 nan 8.150 nan 0.000 0.568 413 S N 2.201 117.839 115.700 -0.103 0.000 2.528 413 S HA -0.176 3.001 4.470 -2.155 0.000 0.244 413 S C 1.416 175.954 174.600 -0.102 0.000 0.982 413 S CA 1.354 59.492 58.200 -0.105 0.000 0.953 413 S CB -0.235 62.865 63.200 -0.166 0.000 0.754 413 S HN 0.763 nan 8.310 nan 0.000 0.529 414 R N -0.814 119.601 120.500 -0.142 0.000 2.334 414 R HA 0.287 3.333 4.340 -2.155 0.000 0.212 414 R C 0.243 176.538 176.300 -0.008 0.000 0.897 414 R CA -0.003 56.025 56.100 -0.120 0.000 1.056 414 R CB 0.094 30.130 30.300 -0.440 0.000 1.046 414 R HN 0.430 nan 8.270 nan 0.000 0.513 415 C N 0.931 120.222 119.300 -0.014 0.000 2.482 415 C HA 0.167 3.334 4.460 -2.155 0.000 0.378 415 C C 2.030 176.980 174.990 -0.067 0.000 1.284 415 C CA -0.520 58.520 59.018 0.036 0.000 1.826 415 C CB 0.528 28.367 27.740 0.165 0.000 2.473 415 C HN 0.274 nan 8.230 nan 0.000 0.562 416 V N 5.920 125.764 119.914 -0.116 0.000 3.129 416 V HA 0.198 3.025 4.120 -2.155 0.000 0.259 416 V C 1.758 177.887 176.094 0.057 0.000 1.116 416 V CA 2.117 64.252 62.300 -0.274 0.000 1.127 416 V CB -0.102 31.601 31.823 -0.200 0.000 0.742 416 V HN 1.065 nan 8.190 nan 0.000 0.474 417 G N -0.676 108.195 108.800 0.118 0.000 3.609 417 G HA2 0.100 2.767 3.960 -2.155 0.000 0.280 417 G HA3 0.100 2.767 3.960 -2.155 0.000 0.280 417 G C 1.109 176.068 174.900 0.100 0.000 1.155 417 G CA -0.383 44.805 45.100 0.147 0.000 0.876 417 G HN 0.412 nan 8.290 nan 0.000 0.535 418 R N -0.118 120.398 120.500 0.027 0.000 2.341 418 R HA 0.092 3.139 4.340 -2.155 0.000 0.213 418 R C 1.995 177.801 176.300 -0.825 0.000 1.082 418 R CA 0.178 56.024 56.100 -0.423 0.000 1.017 418 R CB -0.132 30.014 30.300 -0.256 0.000 0.860 418 R HN 0.470 nan 8.270 nan 0.000 0.473 419 I N 0.939 121.137 120.570 -0.620 0.000 2.700 419 I HA -0.249 2.627 4.170 -2.155 0.000 0.261 419 I C 1.108 177.056 176.117 -0.282 0.000 1.219 419 I CA 1.304 62.338 61.300 -0.443 0.000 1.463 419 I CB 0.161 38.127 38.000 -0.056 0.000 1.092 419 I HN 0.222 nan 8.210 nan 0.000 0.452 420 Q N 0.492 120.076 119.800 -0.361 0.000 2.360 420 Q HA -0.083 2.963 4.340 -2.155 0.000 0.202 420 Q C 1.596 177.056 176.000 -0.900 0.000 0.915 420 Q CA 0.299 55.872 55.803 -0.382 0.000 0.943 420 Q CB -0.192 28.496 28.738 -0.083 0.000 1.064 420 Q HN 0.772 nan 8.270 nan 0.000 0.511 421 W N 1.564 122.049 121.300 -1.358 0.000 2.275 421 W HA -0.316 3.050 4.660 -2.156 0.000 0.321 421 W C 1.438 177.526 176.519 -0.717 0.000 1.269 421 W CA 1.856 58.247 57.345 -1.591 0.000 1.274 421 W CB -1.402 27.401 29.460 -1.094 0.000 1.141 421 W HN 0.193 nan 8.180 nan 0.000 0.493 422 S N 0.779 115.513 115.700 -1.611 0.000 2.428 422 S HA -0.109 3.068 4.470 -2.155 0.000 0.230 422 S C 1.334 175.607 174.600 -0.545 0.000 1.014 422 S CA 1.016 58.418 58.200 -1.330 0.000 0.957 422 S CB -0.536 61.710 63.200 -1.590 0.000 0.784 422 S HN 0.345 nan 8.310 nan 0.000 0.499 423 K N 1.180 121.348 120.400 -0.387 0.000 2.307 423 K HA 0.336 3.362 4.320 -2.155 0.000 0.240 423 K C -1.187 175.451 176.600 0.063 0.000 1.214 423 K CA -0.414 55.799 56.287 -0.124 0.000 1.149 423 K CB -0.361 32.106 32.500 -0.055 0.000 1.668 423 K HN 0.322 nan 8.250 nan 0.000 0.314 424 L N 2.581 123.840 121.223 0.059 0.000 2.376 424 L HA 0.314 3.361 4.340 -2.155 0.000 0.275 424 L C -1.007 175.844 176.870 -0.032 0.000 0.987 424 L CA -0.484 54.438 54.840 0.137 0.000 0.828 424 L CB 1.814 44.038 42.059 0.276 0.000 1.249 424 L HN 0.310 nan 8.230 nan 0.000 0.409 425 Q N 3.141 122.876 119.800 -0.107 0.000 2.288 425 Q HA 0.535 3.582 4.340 -2.155 0.000 0.258 425 Q C -1.510 174.143 176.000 -0.579 0.000 0.957 425 Q CA -0.086 55.490 55.803 -0.378 0.000 0.919 425 Q CB 1.273 29.725 28.738 -0.476 0.000 1.185 425 Q HN 0.541 nan 8.270 nan 0.000 0.408 426 V N 5.600 125.156 119.914 -0.598 0.000 2.417 426 V HA 0.465 3.292 4.120 -2.155 0.000 0.291 426 V C -0.847 174.865 176.094 -0.636 0.000 1.024 426 V CA -0.636 61.362 62.300 -0.502 0.000 0.861 426 V CB 0.803 32.470 31.823 -0.261 0.000 0.985 426 V HN 0.632 nan 8.190 nan 0.000 0.436 427 F N 2.318 122.144 119.950 -0.206 0.000 2.402 427 F HA 0.383 3.621 4.527 -2.149 0.000 0.355 427 F C 0.476 176.105 175.800 -0.286 0.000 1.123 427 F CA -1.183 56.689 58.000 -0.214 0.000 1.021 427 F CB 1.163 40.048 39.000 -0.191 0.000 1.160 427 F HN 0.426 nan 8.300 nan 0.000 0.451 428 D N 3.260 123.624 120.400 -0.060 0.000 2.359 428 D HA 0.297 3.644 4.640 -2.155 0.000 0.250 428 D C 0.332 176.451 176.300 -0.302 0.000 1.264 428 D CA 0.296 54.190 54.000 -0.176 0.000 0.911 428 D CB 1.092 41.836 40.800 -0.092 0.000 1.056 428 D HN 0.642 nan 8.370 nan 0.000 0.499 429 A N 4.596 127.049 122.820 -0.613 0.000 2.545 429 A HA 0.126 3.153 4.320 -2.155 0.000 0.277 429 A C 1.719 178.996 177.584 -0.513 0.000 1.301 429 A CA -0.342 51.055 52.037 -1.067 0.000 0.935 429 A CB 0.042 17.917 19.000 -1.875 0.000 1.093 429 A HN 0.500 nan 8.150 nan 0.000 0.519 430 R N 0.606 120.938 120.500 -0.280 0.000 2.285 430 R HA -0.093 2.954 4.340 -2.155 0.000 0.213 430 R C 0.641 176.904 176.300 -0.062 0.000 1.068 430 R CA 1.261 57.273 56.100 -0.147 0.000 1.004 430 R CB 0.044 30.302 30.300 -0.070 0.000 0.873 430 R HN 0.683 nan 8.270 nan 0.000 0.467 431 D N -0.796 119.605 120.400 0.003 0.000 2.328 431 D HA -0.049 3.298 4.640 -2.155 0.000 0.221 431 D C 0.278 176.676 176.300 0.163 0.000 1.072 431 D CA -0.266 53.786 54.000 0.087 0.000 0.850 431 D CB -0.552 40.315 40.800 0.113 0.000 0.922 431 D HN -0.026 nan 8.370 nan 0.000 0.516 432 C N 1.317 120.724 119.300 0.179 0.000 2.644 432 C HA 0.430 3.596 4.460 -2.155 0.000 0.417 432 C C 1.885 177.075 174.990 0.334 0.000 1.304 432 C CA 0.791 60.000 59.018 0.318 0.000 2.035 432 C CB 0.111 28.093 27.740 0.403 0.000 2.673 432 C HN 0.576 nan 8.230 nan 0.000 0.602 433 T N 0.186 114.954 114.554 0.356 0.000 2.966 433 T HA 0.249 3.306 4.350 -2.155 0.000 0.254 433 T C 0.403 175.260 174.700 0.261 0.000 0.961 433 T CA 0.647 62.951 62.100 0.340 0.000 0.915 433 T CB -0.126 68.863 68.868 0.202 0.000 1.186 433 T HN 0.862 nan 8.240 nan 0.000 0.505 434 T N -1.701 113.000 114.554 0.246 0.000 2.864 434 T HA 0.819 3.876 4.350 -2.155 0.000 0.289 434 T C 1.408 176.209 174.700 0.168 0.000 1.082 434 T CA -0.178 62.025 62.100 0.171 0.000 1.009 434 T CB 1.399 70.372 68.868 0.175 0.000 1.234 434 T HN 0.110 nan 8.240 nan 0.000 0.526 435 A N -0.252 122.657 122.820 0.148 0.000 1.968 435 A HA 0.048 3.075 4.320 -2.155 0.000 0.217 435 A C 1.996 179.605 177.584 0.041 0.000 1.169 435 A CA 1.449 53.546 52.037 0.101 0.000 0.638 435 A CB -1.379 17.725 19.000 0.172 0.000 0.812 435 A HN 0.974 nan 8.150 nan 0.000 0.446 436 H N -0.535 118.630 119.070 0.157 0.000 2.389 436 H HA 0.015 4.912 4.556 0.568 0.000 0.299 436 H C 2.351 177.716 175.328 0.062 0.000 1.081 436 H CA 1.412 57.534 56.048 0.124 0.000 1.345 436 H CB -0.281 29.609 29.762 0.215 0.000 1.393 436 H HN 0.470 nan 8.280 nan 0.000 0.520 437 G N 0.099 109.029 108.800 0.216 0.000 2.421 437 G HA2 -0.268 2.399 3.960 -2.155 0.000 0.216 437 G HA3 -0.268 2.399 3.960 -2.155 0.000 0.216 437 G C 1.643 176.680 174.900 0.229 0.000 1.171 437 G CA 0.963 46.181 45.100 0.197 0.000 0.775 437 G HN 0.285 nan 8.290 nan 0.000 0.543 438 M N -0.469 119.219 119.600 0.145 0.000 2.108 438 M HA -0.011 3.175 4.480 -2.155 0.000 0.261 438 M C 2.305 178.604 176.300 -0.001 0.000 1.066 438 M CA 1.399 56.696 55.300 -0.006 0.000 1.107 438 M CB -0.403 31.967 32.600 -0.383 0.000 1.356 438 M HN 0.321 nan 8.290 nan 0.000 0.406 439 F N 1.156 120.875 119.950 -0.386 0.000 2.134 439 F HA -0.281 3.040 4.527 -2.009 0.000 0.299 439 F C 2.132 177.804 175.800 -0.213 0.000 1.097 439 F CA 1.917 59.601 58.000 -0.527 0.000 1.264 439 F CB -0.251 38.024 39.000 -1.208 0.000 1.001 439 F HN 0.172 nan 8.300 nan 0.000 0.479 440 N N -0.306 118.253 118.700 -0.235 0.000 2.084 440 N HA -0.261 3.185 4.740 -2.155 0.000 0.190 440 N C 1.831 177.189 175.510 -0.254 0.000 1.030 440 N CA 2.096 54.969 53.050 -0.295 0.000 0.849 440 N CB -0.822 37.564 38.487 -0.169 0.000 1.012 440 N HN 0.503 nan 8.380 nan 0.000 0.423 441 Y N 0.442 120.697 120.300 -0.075 0.000 2.165 441 Y HA -0.094 3.159 4.550 -2.161 0.000 0.286 441 Y C 2.237 178.100 175.900 -0.061 0.000 1.155 441 Y CA 1.140 59.220 58.100 -0.032 0.000 1.164 441 Y CB -0.076 38.496 38.460 0.188 0.000 0.978 441 Y HN 0.123 nan 8.280 nan 0.000 0.513 442 I N -1.430 119.216 120.570 0.127 0.000 2.179 442 I HA -0.362 2.515 4.170 -2.155 0.000 0.242 442 I C 2.322 178.370 176.117 -0.115 0.000 1.088 442 I CA 0.971 62.277 61.300 0.010 0.000 1.357 442 I CB -0.568 37.409 38.000 -0.038 0.000 1.051 442 I HN 0.337 nan 8.210 nan 0.000 0.409 443 C N 0.946 120.055 119.300 -0.318 0.000 2.413 443 C HA -0.155 3.012 4.460 -2.155 0.000 0.276 443 C C 2.591 177.484 174.990 -0.162 0.000 1.236 443 C CA 0.917 59.743 59.018 -0.320 0.000 1.735 443 C CB -1.464 25.950 27.740 -0.542 0.000 2.031 443 C HN 0.557 nan 8.230 nan 0.000 0.474 444 N N -0.240 118.354 118.700 -0.177 0.000 2.223 444 N HA -0.131 3.315 4.740 -2.155 0.000 0.185 444 N C 1.415 176.852 175.510 -0.122 0.000 1.016 444 N CA 1.334 54.283 53.050 -0.168 0.000 0.863 444 N CB -0.752 37.575 38.487 -0.266 0.000 0.983 444 N HN 0.780 nan 8.380 nan 0.000 0.429 445 H N 0.206 119.161 119.070 -0.192 0.000 2.307 445 H HA 0.041 3.304 4.556 -2.155 0.000 0.303 445 H C 1.848 177.216 175.328 0.066 0.000 1.073 445 H CA 1.332 57.342 56.048 -0.063 0.000 1.338 445 H CB 0.072 29.834 29.762 0.001 0.000 1.389 445 H HN -0.127 nan 8.280 nan 0.000 0.503 446 V N 1.132 121.205 119.914 0.265 0.000 2.380 446 V HA -0.281 2.546 4.120 -2.155 0.000 0.251 446 V C 2.474 178.643 176.094 0.125 0.000 1.063 446 V CA 2.320 64.722 62.300 0.169 0.000 1.055 446 V CB -0.527 31.312 31.823 0.026 0.000 0.657 446 V HN 0.437 nan 8.190 nan 0.000 0.455 447 K N -0.981 119.466 120.400 0.078 0.000 2.062 447 K HA -0.205 2.821 4.320 -2.155 0.000 0.205 447 K C 2.276 178.920 176.600 0.073 0.000 1.051 447 K CA 1.602 57.919 56.287 0.051 0.000 0.941 447 K CB -0.327 32.181 32.500 0.014 0.000 0.719 447 K HN 0.506 nan 8.250 nan 0.000 0.440 448 Y N 0.757 121.065 120.300 0.013 0.000 2.145 448 Y HA -0.172 3.084 4.550 -2.157 0.000 0.286 448 Y C 1.935 177.884 175.900 0.081 0.000 1.145 448 Y CA 1.807 59.937 58.100 0.051 0.000 1.148 448 Y CB -0.369 38.146 38.460 0.092 0.000 0.981 448 Y HN 0.150 nan 8.280 nan 0.000 0.507 449 A N -1.013 121.899 122.820 0.153 0.000 1.968 449 A HA -0.099 2.927 4.320 -2.155 0.000 0.217 449 A C 2.167 179.785 177.584 0.056 0.000 1.169 449 A CA 1.922 54.025 52.037 0.110 0.000 0.638 449 A CB -1.125 18.023 19.000 0.246 0.000 0.812 449 A HN 0.503 nan 8.150 nan 0.000 0.446 450 T N -0.307 114.282 114.554 0.059 0.000 2.857 450 T HA -0.079 2.977 4.350 -2.155 0.000 0.266 450 T C 1.006 175.701 174.700 -0.009 0.000 1.048 450 T CA 0.804 62.934 62.100 0.049 0.000 1.139 450 T CB -0.529 68.369 68.868 0.050 0.000 0.874 450 T HN 0.744 nan 8.240 nan 0.000 0.455 451 N N 1.278 119.941 118.700 -0.063 0.000 2.702 451 N HA -0.285 3.162 4.740 -2.155 0.000 0.255 451 N C -0.505 174.971 175.510 -0.057 0.000 0.983 451 N CA 0.452 53.445 53.050 -0.096 0.000 0.768 451 N CB -0.617 37.771 38.487 -0.166 0.000 0.918 451 N HN 0.469 nan 8.380 nan 0.000 0.540 452 K N -2.644 117.735 120.400 -0.034 0.000 3.274 452 K HA -0.269 2.758 4.320 -2.155 0.000 0.300 452 K C 0.983 177.563 176.600 -0.034 0.000 1.230 452 K CA 0.922 57.191 56.287 -0.030 0.000 0.884 452 K CB -1.752 30.728 32.500 -0.033 0.000 1.242 452 K HN 0.840 nan 8.250 nan 0.000 0.467 453 G N 0.686 109.472 108.800 -0.024 0.000 2.352 453 G HA2 -0.292 2.375 3.960 -2.155 0.000 0.204 453 G HA3 -0.292 2.375 3.960 -2.155 0.000 0.204 453 G C -0.100 174.783 174.900 -0.028 0.000 1.004 453 G CA 0.071 45.157 45.100 -0.025 0.000 0.648 453 G HN 0.404 nan 8.290 nan 0.000 0.491 454 N N 1.645 120.316 118.700 -0.049 0.000 3.298 454 N HA 0.439 3.885 4.740 -2.155 0.000 0.292 454 N C 0.759 176.233 175.510 -0.061 0.000 1.271 454 N CA -0.491 52.513 53.050 -0.078 0.000 1.184 454 N CB -0.264 38.173 38.487 -0.083 0.000 1.452 454 N HN 0.377 nan 8.380 nan 0.000 0.534 455 L N 1.538 122.758 121.223 -0.006 0.000 2.554 455 L HA -0.014 3.033 4.340 -2.155 0.000 0.293 455 L C 0.581 177.549 176.870 0.163 0.000 1.252 455 L CA 0.656 55.564 54.840 0.112 0.000 0.862 455 L CB 0.136 42.366 42.059 0.285 0.000 1.113 455 L HN 0.382 nan 8.230 nan 0.000 0.510 456 R N 1.451 122.058 120.500 0.179 0.000 2.575 456 R HA 0.342 3.389 4.340 -2.155 0.000 0.293 456 R C -0.801 175.659 176.300 0.267 0.000 0.983 456 R CA -0.636 55.593 56.100 0.215 0.000 0.887 456 R CB 2.103 32.386 30.300 -0.028 0.000 1.184 456 R HN 0.575 nan 8.270 nan 0.000 0.445 457 S N 1.396 117.268 115.700 0.288 0.000 2.562 457 S HA 0.513 3.689 4.470 -2.155 0.000 0.281 457 S C -0.245 174.417 174.600 0.104 0.000 1.333 457 S CA -0.124 58.148 58.200 0.120 0.000 1.052 457 S CB 1.227 64.466 63.200 0.066 0.000 0.884 457 S HN 0.706 nan 8.310 nan 0.000 0.506 458 A N 2.221 125.056 122.820 0.025 0.000 2.601 458 A HA 0.806 3.832 4.320 -2.155 0.000 0.291 458 A C -1.413 176.195 177.584 0.040 0.000 1.075 458 A CA -0.666 51.325 52.037 -0.077 0.000 0.671 458 A CB 1.097 19.998 19.000 -0.164 0.000 1.277 458 A HN 0.808 nan 8.150 nan 0.000 0.417 459 I N 0.276 120.855 120.570 0.016 0.000 2.752 459 I HA 0.648 3.524 4.170 -2.155 0.000 0.295 459 I C -1.304 174.914 176.117 0.168 0.000 1.219 459 I CA -0.105 61.327 61.300 0.221 0.000 1.030 459 I CB 2.392 40.464 38.000 0.120 0.000 1.259 459 I HN 0.617 nan 8.210 nan 0.000 0.423 460 T N 7.854 122.540 114.554 0.220 0.000 2.792 460 T HA 0.575 3.632 4.350 -2.155 0.000 0.280 460 T C -0.397 174.091 174.700 -0.353 0.000 0.990 460 T CA -0.259 61.817 62.100 -0.040 0.000 0.960 460 T CB 1.019 69.869 68.868 -0.030 0.000 0.939 460 T HN 0.314 nan 8.240 nan 0.000 0.439 461 I N 4.071 124.342 120.570 -0.497 0.000 2.354 461 I HA 0.403 3.280 4.170 -2.155 0.000 0.286 461 I C -0.368 175.384 176.117 -0.608 0.000 1.007 461 I CA -0.700 60.318 61.300 -0.470 0.000 1.167 461 I CB 0.571 38.291 38.000 -0.466 0.000 1.320 461 I HN 0.454 nan 8.210 nan 0.000 0.458 462 F N 6.475 126.325 119.950 -0.167 0.000 2.368 462 F HA 0.395 3.637 4.527 -2.142 0.000 0.308 462 F C -1.808 173.806 175.800 -0.311 0.000 1.198 462 F CA -2.176 55.625 58.000 -0.332 0.000 1.130 462 F CB -0.324 38.477 39.000 -0.331 0.000 1.300 462 F HN 0.224 nan 8.300 nan 0.000 0.537 463 P HA -0.025 nan 4.420 nan 0.000 0.265 463 P C -1.046 176.197 177.300 -0.096 0.000 1.187 463 P CA -0.042 62.866 63.100 -0.321 0.000 0.766 463 P CB 0.190 31.567 31.700 -0.538 0.000 0.820 464 Q N 2.881 122.614 119.800 -0.112 0.000 2.417 464 Q HA 0.164 3.211 4.340 -2.155 0.000 0.241 464 Q C 0.175 176.080 176.000 -0.158 0.000 1.008 464 Q CA -0.613 54.947 55.803 -0.405 0.000 0.901 464 Q CB 0.793 29.001 28.738 -0.884 0.000 1.259 464 Q HN 0.325 nan 8.270 nan 0.000 0.489 465 R N 0.296 120.698 120.500 -0.164 0.000 2.643 465 R HA 0.034 3.080 4.340 -2.155 0.000 0.270 465 R C 0.132 176.416 176.300 -0.027 0.000 1.061 465 R CA 1.017 57.100 56.100 -0.028 0.000 1.107 465 R CB 0.556 30.834 30.300 -0.036 0.000 0.999 465 R HN 1.001 nan 8.270 nan 0.000 0.460 466 T N -1.281 113.304 114.554 0.053 0.000 3.447 466 T HA 0.001 3.058 4.350 -2.155 0.000 0.218 466 T C 0.950 175.694 174.700 0.073 0.000 0.972 466 T CA 0.219 62.357 62.100 0.062 0.000 1.264 466 T CB -0.215 68.716 68.868 0.106 0.000 1.284 466 T HN 0.732 nan 8.240 nan 0.000 0.361 467 D N 1.026 121.500 120.400 0.123 0.000 2.379 467 D HA 0.257 3.604 4.640 -2.155 0.000 0.208 467 D C 1.681 177.999 176.300 0.029 0.000 1.065 467 D CA 0.865 54.915 54.000 0.084 0.000 0.848 467 D CB -0.026 40.851 40.800 0.128 0.000 0.949 467 D HN 0.885 nan 8.370 nan 0.000 0.509 468 G N 1.386 110.206 108.800 0.032 0.000 2.199 468 G HA2 -0.333 2.333 3.960 -2.155 0.000 0.254 468 G HA3 -0.333 2.333 3.960 -2.155 0.000 0.254 468 G C 1.068 175.943 174.900 -0.041 0.000 0.982 468 G CA 0.447 45.548 45.100 0.002 0.000 0.632 468 G HN 0.446 nan 8.290 nan 0.000 0.529 469 K N -0.444 119.874 120.400 -0.137 0.000 2.358 469 K HA 0.255 3.282 4.320 -2.155 0.000 0.197 469 K C 0.657 177.013 176.600 -0.407 0.000 1.025 469 K CA 0.311 56.434 56.287 -0.273 0.000 1.104 469 K CB 0.320 32.597 32.500 -0.370 0.000 0.855 469 K HN 0.591 nan 8.250 nan 0.000 0.531 470 H N 0.225 119.304 119.070 0.015 0.000 2.492 470 H HA 0.165 3.426 4.556 -2.158 0.000 0.264 470 H C -1.017 174.302 175.328 -0.016 0.000 1.150 470 H CA -0.718 55.317 56.048 -0.021 0.000 0.962 470 H CB 0.329 30.095 29.762 0.007 0.000 1.766 470 H HN -0.027 nan 8.280 nan 0.000 0.589 471 D N 0.671 121.115 120.400 0.073 0.000 2.424 471 D HA 0.024 3.371 4.640 -2.155 0.000 0.244 471 D C -0.175 176.177 176.300 0.087 0.000 1.134 471 D CA 0.306 54.380 54.000 0.123 0.000 0.881 471 D CB 0.485 41.331 40.800 0.078 0.000 1.191 471 D HN 0.135 nan 8.370 nan 0.000 0.445 472 F N 2.626 122.614 119.950 0.064 0.000 2.410 472 F HA 0.409 3.638 4.527 -2.163 0.000 0.348 472 F C 1.003 176.834 175.800 0.052 0.000 1.106 472 F CA -0.173 57.852 58.000 0.041 0.000 1.163 472 F CB 0.772 39.808 39.000 0.060 0.000 1.129 472 F HN -0.105 nan 8.300 nan 0.000 0.516 473 R N 1.671 122.286 120.500 0.192 0.000 2.668 473 R HA 0.571 3.618 4.340 -2.155 0.000 0.272 473 R C -1.799 174.639 176.300 0.230 0.000 1.019 473 R CA -0.972 55.247 56.100 0.197 0.000 0.894 473 R CB 2.098 32.511 30.300 0.188 0.000 1.228 473 R HN 0.353 nan 8.270 nan 0.000 0.460 474 V N 2.676 122.716 119.914 0.209 0.000 2.326 474 V HA 0.170 2.997 4.120 -2.155 0.000 0.281 474 V C 0.250 176.524 176.094 0.300 0.000 1.015 474 V CA -0.568 61.853 62.300 0.202 0.000 0.823 474 V CB 1.208 33.081 31.823 0.083 0.000 1.009 474 V HN 0.740 nan 8.190 nan 0.000 0.436 475 W N 2.322 123.683 121.300 0.102 0.000 2.421 475 W HA -0.034 3.348 4.660 -2.130 0.000 0.270 475 W C 1.081 177.652 176.519 0.086 0.000 1.233 475 W CA -0.101 57.403 57.345 0.265 0.000 1.226 475 W CB -0.721 29.045 29.460 0.510 0.000 1.121 475 W HN 0.524 nan 8.180 nan 0.000 0.579 476 N N -0.199 118.516 118.700 0.025 0.000 2.415 476 N HA 0.021 3.467 4.740 -2.155 0.000 0.248 476 N C 1.342 176.642 175.510 -0.349 0.000 1.271 476 N CA 0.904 53.590 53.050 -0.607 0.000 0.913 476 N CB 0.534 38.831 38.487 -0.317 0.000 1.129 476 N HN -0.110 nan 8.380 nan 0.000 0.444 477 S N -0.369 115.099 115.700 -0.387 0.000 2.458 477 S HA 0.063 3.240 4.470 -2.155 0.000 0.223 477 S C 0.276 174.755 174.600 -0.201 0.000 1.019 477 S CA 0.386 58.463 58.200 -0.206 0.000 0.937 477 S CB 0.123 63.246 63.200 -0.129 0.000 0.788 477 S HN 0.626 nan 8.310 nan 0.000 0.511 478 Q N -0.609 119.051 119.800 -0.235 0.000 2.416 478 Q HA 0.503 3.549 4.340 -2.155 0.000 0.281 478 Q C 0.092 175.933 176.000 -0.265 0.000 1.067 478 Q CA -0.550 55.109 55.803 -0.239 0.000 0.809 478 Q CB 1.989 30.621 28.738 -0.176 0.000 1.418 478 Q HN 0.098 nan 8.270 nan 0.000 0.411 479 L N 0.509 121.572 121.223 -0.267 0.000 2.131 479 L HA 0.028 3.075 4.340 -2.155 0.000 0.210 479 L C 0.522 177.221 176.870 -0.284 0.000 1.092 479 L CA 1.295 55.994 54.840 -0.234 0.000 0.759 479 L CB -0.034 41.889 42.059 -0.228 0.000 0.903 479 L HN 0.465 nan 8.230 nan 0.000 0.435 480 I N 0.009 120.316 120.570 -0.438 0.000 2.439 480 I HA 0.368 3.245 4.170 -2.155 0.000 0.285 480 I C -0.460 175.054 176.117 -1.006 0.000 1.021 480 I CA -0.356 60.532 61.300 -0.688 0.000 1.091 480 I CB 1.541 39.044 38.000 -0.829 0.000 1.242 480 I HN 0.060 nan 8.210 nan 0.000 0.439 481 R N 4.513 124.582 120.500 -0.718 0.000 2.680 481 R HA 0.451 3.497 4.340 -2.155 0.000 0.269 481 R C -1.643 174.445 176.300 -0.353 0.000 1.026 481 R CA -1.041 54.735 56.100 -0.541 0.000 0.889 481 R CB 2.510 32.686 30.300 -0.206 0.000 1.241 481 R HN 0.397 nan 8.270 nan 0.000 0.463 482 Y N 0.558 120.885 120.300 0.046 0.000 2.309 482 Y HA 0.372 3.629 4.550 -2.155 0.000 0.327 482 Y C 1.050 177.008 175.900 0.096 0.000 1.172 482 Y CA -0.611 57.568 58.100 0.132 0.000 1.280 482 Y CB 1.070 39.697 38.460 0.280 0.000 1.234 482 Y HN 0.617 nan 8.280 nan 0.000 0.512 483 A N 1.811 124.768 122.820 0.228 0.000 2.406 483 A HA 0.537 3.563 4.320 -2.155 0.000 0.243 483 A C 0.489 177.934 177.584 -0.232 0.000 1.082 483 A CA 0.225 52.227 52.037 -0.058 0.000 0.786 483 A CB -0.183 18.769 19.000 -0.081 0.000 1.029 483 A HN 0.907 nan 8.150 nan 0.000 0.495 484 G N 0.283 108.848 108.800 -0.393 0.000 2.644 484 G HA2 0.575 3.242 3.960 -2.155 0.000 0.300 484 G HA3 0.575 3.242 3.960 -2.155 0.000 0.300 484 G C -1.205 173.484 174.900 -0.352 0.000 1.395 484 G CA -0.259 44.674 45.100 -0.278 0.000 0.964 484 G HN 0.530 nan 8.290 nan 0.000 0.511 485 Y N 0.848 121.173 120.300 0.042 0.000 2.409 485 Y HA 0.497 3.753 4.550 -2.157 0.000 0.343 485 Y C 0.468 176.368 175.900 -0.001 0.000 0.973 485 Y CA -1.161 56.955 58.100 0.027 0.000 1.064 485 Y CB 2.203 40.679 38.460 0.027 0.000 1.207 485 Y HN 0.302 nan 8.280 nan 0.000 0.452 486 K N 3.108 123.597 120.400 0.148 0.000 2.234 486 K HA 0.329 3.355 4.320 -2.155 0.000 0.282 486 K C -0.515 176.125 176.600 0.066 0.000 1.039 486 K CA -0.631 55.702 56.287 0.076 0.000 0.928 486 K CB 1.036 33.565 32.500 0.049 0.000 1.039 486 K HN 0.650 nan 8.250 nan 0.000 0.470 487 Q N 2.184 122.007 119.800 0.038 0.000 2.180 487 Q HA 0.143 3.190 4.340 -2.155 0.000 0.241 487 Q C -1.645 174.358 176.000 0.005 0.000 0.970 487 Q CA -2.053 53.758 55.803 0.014 0.000 0.919 487 Q CB 0.628 29.368 28.738 0.002 0.000 1.222 487 Q HN 0.295 nan 8.270 nan 0.000 0.482 488 P HA -0.300 nan 4.420 nan 0.000 0.217 488 P C 0.871 178.169 177.300 -0.003 0.000 1.162 488 P CA 1.576 64.672 63.100 -0.007 0.000 0.901 488 P CB 0.057 31.750 31.700 -0.013 0.000 0.793 489 D N -0.978 119.419 120.400 -0.005 0.000 2.230 489 D HA -0.225 3.121 4.640 -2.155 0.000 0.189 489 D C 1.490 177.790 176.300 0.001 0.000 1.006 489 D CA 2.587 56.585 54.000 -0.003 0.000 0.853 489 D CB -0.719 40.079 40.800 -0.004 0.000 0.959 489 D HN 0.325 nan 8.370 nan 0.000 0.449 490 G N -0.885 107.917 108.800 0.004 0.000 2.559 490 G HA2 -0.132 2.535 3.960 -2.155 0.000 0.202 490 G HA3 -0.132 2.535 3.960 -2.155 0.000 0.202 490 G C 0.473 175.377 174.900 0.008 0.000 0.992 490 G CA 0.758 45.862 45.100 0.007 0.000 0.764 490 G HN 0.745 nan 8.290 nan 0.000 0.525 491 S N -0.266 115.438 115.700 0.006 0.000 2.546 491 S HA 0.786 3.963 4.470 -2.155 0.000 0.265 491 S C 0.041 174.645 174.600 0.005 0.000 1.190 491 S CA 0.453 58.655 58.200 0.003 0.000 1.014 491 S CB 1.485 64.684 63.200 -0.002 0.000 1.087 491 S HN 0.528 nan 8.310 nan 0.000 0.525 492 T N 1.505 116.055 114.554 -0.006 0.000 2.921 492 T HA 0.463 3.520 4.350 -2.155 0.000 0.297 492 T C -1.261 173.425 174.700 -0.023 0.000 1.013 492 T CA -0.617 61.480 62.100 -0.005 0.000 0.990 492 T CB 1.283 70.137 68.868 -0.023 0.000 1.023 492 T HN 0.580 nan 8.240 nan 0.000 0.447 493 L N 3.625 124.868 121.223 0.033 0.000 2.282 493 L HA 0.690 3.736 4.340 -2.155 0.000 0.288 493 L C 0.753 177.666 176.870 0.072 0.000 1.033 493 L CA 1.078 55.943 54.840 0.042 0.000 0.807 493 L CB 0.143 42.253 42.059 0.085 0.000 1.209 493 L HN 1.021 nan 8.230 nan 0.000 0.423 494 G N 5.471 114.207 108.800 -0.107 0.000 2.513 494 G HA2 -0.213 2.454 3.960 -2.155 0.000 0.227 494 G HA3 -0.213 2.454 3.960 -2.155 0.000 0.227 494 G C -0.604 174.014 174.900 -0.469 0.000 1.176 494 G CA -0.018 44.987 45.100 -0.159 0.000 0.967 494 G HN 0.655 nan 8.290 nan 0.000 0.587 495 D N 1.772 122.086 120.400 -0.142 0.000 2.392 495 D HA 0.558 3.905 4.640 -2.155 0.000 0.228 495 D C -1.271 175.019 176.300 -0.017 0.000 1.074 495 D CA -1.783 52.185 54.000 -0.052 0.000 0.838 495 D CB 1.672 42.718 40.800 0.410 0.000 1.067 495 D HN -0.034 nan 8.370 nan 0.000 0.511 496 P HA -0.100 nan 4.420 nan 0.000 0.219 496 P C 0.922 178.251 177.300 0.048 0.000 1.146 496 P CA 0.854 63.950 63.100 -0.006 0.000 0.808 496 P CB 0.315 32.008 31.700 -0.012 0.000 0.779 497 A N -0.584 122.295 122.820 0.097 0.000 2.121 497 A HA -0.118 2.909 4.320 -2.155 0.000 0.218 497 A C 1.688 179.340 177.584 0.115 0.000 1.154 497 A CA 1.349 53.458 52.037 0.119 0.000 0.679 497 A CB -0.747 18.352 19.000 0.166 0.000 0.795 497 A HN 0.180 nan 8.150 nan 0.000 0.458 498 N N -0.720 118.043 118.700 0.105 0.000 2.177 498 N HA 0.096 3.542 4.740 -2.155 0.000 0.218 498 N C 1.196 176.740 175.510 0.057 0.000 1.182 498 N CA 0.380 53.492 53.050 0.104 0.000 0.882 498 N CB 0.579 39.137 38.487 0.119 0.000 1.052 498 N HN 0.166 nan 8.380 nan 0.000 0.519 499 V N 1.725 121.650 119.914 0.018 0.000 2.277 499 V HA -0.333 2.494 4.120 -2.155 0.000 0.253 499 V C 2.689 178.765 176.094 -0.029 0.000 1.067 499 V CA 2.077 64.365 62.300 -0.021 0.000 1.047 499 V CB -0.479 31.344 31.823 -0.001 0.000 0.649 499 V HN 0.410 nan 8.190 nan 0.000 0.447 500 Q N -0.986 118.803 119.800 -0.018 0.000 2.016 500 Q HA -0.237 2.810 4.340 -2.155 0.000 0.200 500 Q C 2.206 178.095 176.000 -0.186 0.000 0.978 500 Q CA 2.211 57.959 55.803 -0.091 0.000 0.833 500 Q CB -0.258 28.435 28.738 -0.075 0.000 0.895 500 Q HN 0.598 nan 8.270 nan 0.000 0.427 501 F N 1.203 120.962 119.950 -0.319 0.000 2.126 501 F HA -0.180 3.050 4.527 -2.162 0.000 0.299 501 F C 2.110 177.789 175.800 -0.202 0.000 1.096 501 F CA 1.965 59.753 58.000 -0.354 0.000 1.255 501 F CB -0.516 38.356 39.000 -0.213 0.000 0.997 501 F HN 0.050 nan 8.300 nan 0.000 0.479 502 T N -0.075 114.426 114.554 -0.087 0.000 2.897 502 T HA -0.183 2.873 4.350 -2.155 0.000 0.271 502 T C 1.722 176.368 174.700 -0.090 0.000 1.084 502 T CA 1.678 63.697 62.100 -0.135 0.000 1.123 502 T CB -0.280 68.480 68.868 -0.181 0.000 0.865 502 T HN 0.443 nan 8.240 nan 0.000 0.496 503 E N 0.487 120.617 120.200 -0.118 0.000 2.060 503 E HA 0.069 3.126 4.350 -2.155 0.000 0.189 503 E C 2.111 178.638 176.600 -0.123 0.000 0.974 503 E CA 0.604 56.959 56.400 -0.075 0.000 0.808 503 E CB -0.111 29.544 29.700 -0.075 0.000 0.768 503 E HN 0.463 nan 8.360 nan 0.000 0.453 504 I N 0.916 121.344 120.570 -0.236 0.000 2.567 504 I HA -0.275 2.601 4.170 -2.155 0.000 0.257 504 I C 2.055 178.041 176.117 -0.217 0.000 1.184 504 I CA 0.448 61.618 61.300 -0.215 0.000 1.451 504 I CB -0.254 37.591 38.000 -0.258 0.000 1.089 504 I HN 0.248 nan 8.210 nan 0.000 0.441 505 C N 0.411 119.534 119.300 -0.296 0.000 2.492 505 C HA 0.036 3.203 4.460 -2.155 0.000 0.279 505 C C 2.664 177.707 174.990 0.088 0.000 1.335 505 C CA 0.115 59.020 59.018 -0.188 0.000 1.734 505 C CB -0.505 27.034 27.740 -0.335 0.000 2.027 505 C HN 0.427 nan 8.230 nan 0.000 0.496 506 I N 0.729 121.370 120.570 0.118 0.000 2.233 506 I HA -0.211 2.665 4.170 -2.155 0.000 0.243 506 I C 2.684 178.816 176.117 0.024 0.000 1.093 506 I CA 1.363 62.731 61.300 0.114 0.000 1.380 506 I CB -0.704 37.357 38.000 0.102 0.000 1.067 506 I HN 0.395 nan 8.210 nan 0.000 0.413 507 Q N 0.680 120.470 119.800 -0.017 0.000 2.561 507 Q HA -0.243 2.804 4.340 -2.155 0.000 0.217 507 Q C 1.777 177.746 176.000 -0.050 0.000 0.980 507 Q CA 1.145 56.917 55.803 -0.050 0.000 0.927 507 Q CB 0.192 28.882 28.738 -0.081 0.000 0.980 507 Q HN 0.380 nan 8.270 nan 0.000 0.525 508 Q N -1.873 117.913 119.800 -0.023 0.000 2.280 508 Q HA 0.194 3.240 4.340 -2.155 0.000 0.228 508 Q C 0.692 176.687 176.000 -0.008 0.000 0.857 508 Q CA 0.959 56.753 55.803 -0.015 0.000 0.939 508 Q CB 1.159 29.882 28.738 -0.025 0.000 1.114 508 Q HN 0.420 nan 8.270 nan 0.000 0.514 509 G N -0.946 107.864 108.800 0.017 0.000 2.797 509 G HA2 -0.220 2.446 3.960 -2.155 0.000 0.195 509 G HA3 -0.220 2.446 3.960 -2.155 0.000 0.195 509 G C -0.532 174.403 174.900 0.058 0.000 1.026 509 G CA -0.370 44.738 45.100 0.013 0.000 0.759 509 G HN 0.222 nan 8.290 nan 0.000 0.475 510 W N 4.209 125.456 121.300 -0.088 0.000 2.409 510 W HA 0.445 3.807 4.660 -2.164 0.000 0.338 510 W C 0.418 176.919 176.519 -0.031 0.000 1.273 510 W CA 0.416 57.722 57.345 -0.066 0.000 1.299 510 W CB 0.452 29.869 29.460 -0.072 0.000 1.192 510 W HN 0.107 nan 8.180 nan 0.000 0.565 511 K N 6.653 126.670 120.400 -0.639 0.000 2.244 511 K HA 0.448 3.474 4.320 -2.155 0.000 0.263 511 K C 0.154 176.110 176.600 -1.074 0.000 1.103 511 K CA -0.444 55.471 56.287 -0.620 0.000 0.966 511 K CB 0.131 32.415 32.500 -0.361 0.000 1.429 511 K HN 0.487 nan 8.250 nan 0.000 0.434 512 A N 4.334 126.512 122.820 -1.070 0.000 2.522 512 A HA 0.092 3.119 4.320 -2.155 0.000 0.256 512 A C -1.140 176.134 177.584 -0.518 0.000 1.086 512 A CA -0.902 50.522 52.037 -1.022 0.000 0.763 512 A CB -0.110 18.788 19.000 -0.172 0.000 1.024 512 A HN 0.522 nan 8.150 nan 0.000 0.502 513 P HA -0.042 nan 4.420 nan 0.000 0.245 513 P C -0.038 177.119 177.300 -0.238 0.000 1.212 513 P CA -0.134 62.841 63.100 -0.208 0.000 0.774 513 P CB 0.132 31.791 31.700 -0.068 0.000 0.999 514 R N -0.966 119.249 120.500 -0.475 0.000 3.516 514 R HA -0.130 2.917 4.340 -2.155 0.000 0.271 514 R C 0.721 176.804 176.300 -0.362 0.000 1.098 514 R CA 1.014 56.613 56.100 -0.834 0.000 0.732 514 R CB -2.762 27.198 30.300 -0.567 0.000 1.152 514 R HN 0.399 nan 8.270 nan 0.000 0.455 515 G N -0.497 108.273 108.800 -0.049 0.000 2.488 515 G HA2 0.393 3.060 3.960 -2.155 0.000 0.318 515 G HA3 0.393 3.060 3.960 -2.155 0.000 0.318 515 G C 0.813 175.814 174.900 0.169 0.000 1.188 515 G CA -0.248 44.900 45.100 0.080 0.000 0.944 515 G HN 0.185 nan 8.290 nan 0.000 0.495 516 R N -0.554 119.996 120.500 0.084 0.000 2.075 516 R HA 0.049 3.096 4.340 -2.155 0.000 0.232 516 R C 0.163 176.303 176.300 -0.266 0.000 1.126 516 R CA 1.283 57.333 56.100 -0.083 0.000 0.963 516 R CB -0.332 29.905 30.300 -0.106 0.000 0.858 516 R HN 0.352 nan 8.270 nan 0.000 0.435 517 F N 1.355 121.344 119.950 0.065 0.000 2.449 517 F HA 0.321 3.554 4.527 -2.158 0.000 0.329 517 F C -0.983 174.876 175.800 0.098 0.000 1.245 517 F CA -1.130 56.734 58.000 -0.227 0.000 1.193 517 F CB 0.918 39.547 39.000 -0.618 0.000 1.425 517 F HN -0.147 nan 8.300 nan 0.000 0.544 518 D N 1.761 122.442 120.400 0.469 0.000 2.317 518 D HA 0.208 3.555 4.640 -2.155 0.000 0.234 518 D C 0.017 176.645 176.300 0.546 0.000 1.112 518 D CA -0.139 54.176 54.000 0.524 0.000 0.840 518 D CB 2.309 43.476 40.800 0.612 0.000 1.078 518 D HN -0.000 nan 8.370 nan 0.000 0.486 519 V N 3.965 124.143 119.914 0.441 0.000 2.450 519 V HA -0.026 2.800 4.120 -2.155 0.000 0.281 519 V C 1.105 177.244 176.094 0.075 0.000 1.019 519 V CA -0.156 62.262 62.300 0.197 0.000 1.062 519 V CB -0.171 31.720 31.823 0.115 0.000 0.979 519 V HN 0.373 nan 8.190 nan 0.000 0.477 520 L N 8.579 129.744 121.223 -0.097 0.000 2.479 520 L HA 0.256 3.303 4.340 -2.155 0.000 0.270 520 L C -1.658 174.998 176.870 -0.358 0.000 1.236 520 L CA -1.032 53.583 54.840 -0.375 0.000 0.823 520 L CB 0.534 42.480 42.059 -0.188 0.000 1.098 520 L HN 0.478 nan 8.230 nan 0.000 0.500 521 P HA 0.258 nan 4.420 nan 0.000 0.285 521 P C -1.149 176.088 177.300 -0.105 0.000 1.269 521 P CA -0.618 62.276 63.100 -0.344 0.000 0.844 521 P CB 1.173 32.517 31.700 -0.593 0.000 1.094 522 L N 1.897 123.144 121.223 0.040 0.000 2.371 522 L HA 0.328 3.374 4.340 -2.155 0.000 0.272 522 L C 0.738 177.700 176.870 0.154 0.000 1.124 522 L CA -0.447 54.476 54.840 0.139 0.000 0.816 522 L CB 0.289 42.459 42.059 0.185 0.000 1.129 522 L HN 0.265 nan 8.230 nan 0.000 0.448 523 L N 5.285 126.623 121.223 0.193 0.000 2.384 523 L HA 0.448 3.495 4.340 -2.155 0.000 0.261 523 L C -0.743 176.138 176.870 0.018 0.000 1.024 523 L CA -0.344 54.531 54.840 0.059 0.000 0.899 523 L CB 0.800 42.914 42.059 0.092 0.000 1.243 523 L HN 0.519 nan 8.230 nan 0.000 0.449 524 L N 3.506 124.742 121.223 0.021 0.000 2.325 524 L HA 0.490 3.537 4.340 -2.155 0.000 0.279 524 L C -0.167 176.616 176.870 -0.146 0.000 1.054 524 L CA -0.351 54.471 54.840 -0.030 0.000 0.804 524 L CB 1.682 43.721 42.059 -0.034 0.000 1.200 524 L HN 0.534 nan 8.230 nan 0.000 0.436 525 Q N 2.483 122.203 119.800 -0.134 0.000 2.325 525 Q HA 0.715 3.762 4.340 -2.155 0.000 0.270 525 Q C -1.612 174.268 176.000 -0.201 0.000 1.020 525 Q CA -0.609 55.077 55.803 -0.195 0.000 0.785 525 Q CB 2.237 30.897 28.738 -0.129 0.000 1.259 525 Q HN 0.788 nan 8.270 nan 0.000 0.452 526 A N 4.025 126.657 122.820 -0.313 0.000 2.365 526 A HA 0.447 3.474 4.320 -2.155 0.000 0.318 526 A C -0.031 177.080 177.584 -0.789 0.000 1.091 526 A CA -0.517 51.105 52.037 -0.692 0.000 0.763 526 A CB 1.055 19.858 19.000 -0.328 0.000 1.248 526 A HN 0.996 nan 8.150 nan 0.000 0.442 527 N N 0.692 118.531 118.700 -1.435 0.000 2.699 527 N HA -0.232 3.214 4.740 -2.155 0.000 0.256 527 N C 1.093 176.498 175.510 -0.176 0.000 0.993 527 N CA 2.011 54.695 53.050 -0.610 0.000 0.759 527 N CB -0.857 37.438 38.487 -0.320 0.000 0.906 527 N HN 2.228 nan 8.380 nan 0.000 0.541 528 G N -0.914 107.779 108.800 -0.178 0.000 2.196 528 G HA2 -0.377 2.290 3.960 -2.155 0.000 0.268 528 G HA3 -0.377 2.290 3.960 -2.155 0.000 0.268 528 G C 0.515 175.405 174.900 -0.017 0.000 0.975 528 G CA 0.767 45.833 45.100 -0.058 0.000 0.648 528 G HN 0.649 nan 8.290 nan 0.000 0.538 529 N N 1.008 119.653 118.700 -0.092 0.000 2.285 529 N HA 0.319 3.766 4.740 -2.155 0.000 0.262 529 N C -0.192 175.223 175.510 -0.159 0.000 1.299 529 N CA 0.096 53.106 53.050 -0.066 0.000 0.930 529 N CB 0.123 38.562 38.487 -0.081 0.000 1.157 529 N HN 0.255 nan 8.380 nan 0.000 0.532 530 D N 0.806 121.118 120.400 -0.146 0.000 2.302 530 D HA 0.223 3.570 4.640 -2.155 0.000 0.248 530 D C -1.986 174.056 176.300 -0.430 0.000 1.094 530 D CA -0.808 52.995 54.000 -0.329 0.000 0.897 530 D CB 0.394 41.098 40.800 -0.161 0.000 1.200 530 D HN 0.249 nan 8.370 nan 0.000 0.429 531 P HA 0.040 nan 4.420 nan 0.000 0.268 531 P C -0.783 176.273 177.300 -0.406 0.000 1.205 531 P CA -0.015 62.672 63.100 -0.688 0.000 0.771 531 P CB 0.878 31.758 31.700 -1.367 0.000 0.858 532 E N 1.440 121.484 120.200 -0.259 0.000 2.256 532 E HA 0.446 3.503 4.350 -2.155 0.000 0.267 532 E C -0.380 176.030 176.600 -0.316 0.000 0.892 532 E CA -1.005 55.229 56.400 -0.276 0.000 0.775 532 E CB 1.685 31.226 29.700 -0.266 0.000 1.207 532 E HN 0.384 nan 8.360 nan 0.000 0.420 533 L N 2.396 123.344 121.223 -0.457 0.000 2.399 533 L HA 0.504 3.551 4.340 -2.155 0.000 0.266 533 L C -0.805 175.609 176.870 -0.760 0.000 1.114 533 L CA -0.223 54.388 54.840 -0.382 0.000 0.804 533 L CB 0.350 42.264 42.059 -0.242 0.000 1.146 533 L HN 0.475 nan 8.230 nan 0.000 0.451 534 F N 0.063 119.850 119.950 -0.272 0.000 2.628 534 F HA 0.297 3.093 4.527 -2.884 0.000 0.309 534 F C -0.351 175.320 175.800 -0.215 0.000 1.108 534 F CA -0.781 56.955 58.000 -0.439 0.000 0.971 534 F CB 1.850 40.329 39.000 -0.868 0.000 1.279 534 F HN 0.238 nan 8.300 nan 0.000 0.441 535 Q N 2.698 122.513 119.800 0.025 0.000 2.340 535 Q HA 0.558 3.605 4.340 -2.155 0.000 0.259 535 Q C -0.759 175.403 176.000 0.270 0.000 0.964 535 Q CA -0.242 55.643 55.803 0.136 0.000 0.900 535 Q CB 0.925 29.746 28.738 0.138 0.000 1.228 535 Q HN 0.550 nan 8.270 nan 0.000 0.449 536 I N 6.493 127.224 120.570 0.269 0.000 2.683 536 I HA 0.059 2.936 4.170 -2.155 0.000 0.286 536 I C -1.801 174.431 176.117 0.191 0.000 1.175 536 I CA -1.590 59.869 61.300 0.265 0.000 1.429 536 I CB 0.397 38.466 38.000 0.115 0.000 1.371 536 I HN 0.509 nan 8.210 nan 0.000 0.569 537 P HA -0.013 nan 4.420 nan 0.000 0.256 537 P C -1.964 175.391 177.300 0.091 0.000 1.173 537 P CA -0.650 62.529 63.100 0.132 0.000 0.768 537 P CB 0.094 31.853 31.700 0.099 0.000 0.758 538 P HA -0.252 nan 4.420 nan 0.000 0.217 538 P C 1.378 178.714 177.300 0.059 0.000 1.148 538 P CA 1.420 64.568 63.100 0.080 0.000 0.834 538 P CB -0.197 31.554 31.700 0.085 0.000 0.783 539 E N -0.231 120.001 120.200 0.053 0.000 2.338 539 E HA -0.129 2.927 4.350 -2.155 0.000 0.197 539 E C 1.557 178.174 176.600 0.029 0.000 1.007 539 E CA 0.999 57.422 56.400 0.038 0.000 0.849 539 E CB -1.013 28.708 29.700 0.034 0.000 0.774 539 E HN 0.350 nan 8.360 nan 0.000 0.506 540 L N 0.912 122.154 121.223 0.031 0.000 2.607 540 L HA 0.151 3.198 4.340 -2.155 0.000 0.228 540 L C 0.479 177.361 176.870 0.021 0.000 1.123 540 L CA -0.123 54.729 54.840 0.020 0.000 0.890 540 L CB 0.716 42.779 42.059 0.007 0.000 1.103 540 L HN -0.134 nan 8.230 nan 0.000 0.468 541 V N 2.313 122.244 119.914 0.028 0.000 2.270 541 V HA 0.144 2.971 4.120 -2.155 0.000 0.263 541 V C 0.037 176.155 176.094 0.039 0.000 1.066 541 V CA -0.551 61.764 62.300 0.025 0.000 0.857 541 V CB 1.167 33.005 31.823 0.023 0.000 1.099 541 V HN 0.066 nan 8.190 nan 0.000 0.476 542 L N 5.395 126.642 121.223 0.040 0.000 2.418 542 L HA 0.395 3.441 4.340 -2.155 0.000 0.274 542 L C 0.158 177.050 176.870 0.036 0.000 1.135 542 L CA 0.740 55.595 54.840 0.025 0.000 0.870 542 L CB 0.097 42.164 42.059 0.014 0.000 1.154 542 L HN 0.625 nan 8.230 nan 0.000 0.462 543 E N 3.470 123.674 120.200 0.006 0.000 2.288 543 E HA 0.588 3.645 4.350 -2.155 0.000 0.268 543 E C -1.420 175.126 176.600 -0.091 0.000 0.885 543 E CA -1.006 55.400 56.400 0.010 0.000 0.767 543 E CB 2.502 32.246 29.700 0.072 0.000 1.220 543 E HN 0.401 nan 8.360 nan 0.000 0.427 544 V N 3.386 123.219 119.914 -0.134 0.000 2.448 544 V HA 0.364 3.191 4.120 -2.155 0.000 0.295 544 V C -2.281 173.787 176.094 -0.044 0.000 1.025 544 V CA -1.844 60.341 62.300 -0.190 0.000 0.859 544 V CB 1.571 33.093 31.823 -0.500 0.000 0.988 544 V HN 0.556 nan 8.190 nan 0.000 0.431 545 P HA 0.347 nan 4.420 nan 0.000 0.287 545 P C -0.888 176.455 177.300 0.072 0.000 1.281 545 P CA -0.321 62.783 63.100 0.006 0.000 0.781 545 P CB 1.271 32.973 31.700 0.003 0.000 0.903 546 I N 5.167 125.813 120.570 0.126 0.000 2.337 546 I HA 0.241 3.118 4.170 -2.155 0.000 0.291 546 I C 1.279 177.597 176.117 0.335 0.000 1.046 546 I CA -0.090 61.358 61.300 0.246 0.000 1.324 546 I CB -0.301 37.904 38.000 0.341 0.000 1.409 546 I HN 0.418 nan 8.210 nan 0.000 0.494 547 R N 5.486 126.168 120.500 0.304 0.000 2.854 547 R HA 0.495 3.541 4.340 -2.155 0.000 0.271 547 R C -1.007 175.361 176.300 0.113 0.000 0.994 547 R CA -0.707 55.587 56.100 0.323 0.000 0.945 547 R CB 2.007 32.446 30.300 0.230 0.000 1.194 547 R HN 0.518 nan 8.270 nan 0.000 0.476 548 H N 1.808 120.754 119.070 -0.207 0.000 2.463 548 H HA 0.309 3.572 4.556 -2.155 0.000 0.332 548 H C -1.828 173.175 175.328 -0.542 0.000 1.127 548 H CA -1.968 53.717 56.048 -0.606 0.000 1.238 548 H CB 2.201 31.364 29.762 -0.997 0.000 1.478 548 H HN 0.308 nan 8.280 nan 0.000 0.499 549 P HA 0.030 nan 4.420 nan 0.000 0.234 549 P C 0.075 177.186 177.300 -0.315 0.000 1.167 549 P CA 1.156 63.676 63.100 -0.965 0.000 0.763 549 P CB 0.430 31.395 31.700 -1.226 0.000 0.835 550 K N -3.077 117.323 120.400 -0.000 0.000 2.608 550 K HA 0.206 3.233 4.320 -2.155 0.000 0.214 550 K C -0.082 176.691 176.600 0.288 0.000 1.469 550 K CA -0.068 56.258 56.287 0.065 0.000 1.012 550 K CB 0.761 33.278 32.500 0.028 0.000 1.211 550 K HN 0.068 nan 8.250 nan 0.000 0.627 551 F N 2.418 122.188 119.950 -0.300 0.000 2.307 551 F HA 0.215 3.449 4.527 -2.156 0.000 0.369 551 F C 0.290 175.828 175.800 -0.437 0.000 1.076 551 F CA -0.909 56.765 58.000 -0.544 0.000 1.149 551 F CB 0.970 39.234 39.000 -1.227 0.000 1.410 551 F HN -0.085 nan 8.300 nan 0.000 0.481 552 D N 2.172 122.593 120.400 0.034 0.000 2.403 552 D HA -0.147 3.200 4.640 -2.155 0.000 0.227 552 D C 1.745 178.124 176.300 0.131 0.000 0.995 552 D CA 0.738 54.786 54.000 0.079 0.000 0.928 552 D CB 0.081 40.946 40.800 0.108 0.000 0.887 552 D HN 0.695 nan 8.370 nan 0.000 0.529 553 W N -0.707 120.701 121.300 0.179 0.000 2.863 553 W HA 0.078 3.445 4.660 -2.156 0.000 0.258 553 W C 1.426 178.050 176.519 0.175 0.000 1.298 553 W CA -0.547 56.871 57.345 0.123 0.000 1.451 553 W CB -1.133 28.355 29.460 0.046 0.000 1.107 553 W HN -0.213 nan 8.180 nan 0.000 0.641 554 F N 3.322 122.988 119.950 -0.474 0.000 2.091 554 F HA -0.212 3.022 4.527 -2.156 0.000 0.299 554 F C 2.359 178.142 175.800 -0.028 0.000 1.103 554 F CA 2.655 60.411 58.000 -0.408 0.000 1.228 554 F CB -0.329 38.410 39.000 -0.434 0.000 0.984 554 F HN -0.235 nan 8.300 nan 0.000 0.477 555 K N -0.253 120.232 120.400 0.141 0.000 2.228 555 K HA -0.228 2.799 4.320 -2.155 0.000 0.205 555 K C 1.443 178.076 176.600 0.055 0.000 1.045 555 K CA 1.651 58.000 56.287 0.103 0.000 0.931 555 K CB -0.449 32.120 32.500 0.115 0.000 0.727 555 K HN 0.360 nan 8.250 nan 0.000 0.458 556 D N 0.636 121.089 120.400 0.089 0.000 2.348 556 D HA -0.083 3.263 4.640 -2.155 0.000 0.216 556 D C 1.460 177.788 176.300 0.047 0.000 0.970 556 D CA 0.732 54.787 54.000 0.091 0.000 0.889 556 D CB 0.058 40.949 40.800 0.151 0.000 0.912 556 D HN 0.091 nan 8.370 nan 0.000 0.524 557 L N 0.246 121.446 121.223 -0.039 0.000 2.362 557 L HA 0.071 3.118 4.340 -2.155 0.000 0.219 557 L C 1.708 178.558 176.870 -0.034 0.000 1.134 557 L CA 0.752 55.535 54.840 -0.095 0.000 0.807 557 L CB -0.955 40.886 42.059 -0.364 0.000 0.927 557 L HN 0.101 nan 8.230 nan 0.000 0.447 558 G N 0.103 108.895 108.800 -0.014 0.000 2.295 558 G HA2 -0.278 2.389 3.960 -2.155 0.000 0.287 558 G HA3 -0.278 2.389 3.960 -2.155 0.000 0.287 558 G C 0.078 175.020 174.900 0.070 0.000 1.055 558 G CA 0.176 45.304 45.100 0.047 0.000 0.922 558 G HN 0.279 nan 8.290 nan 0.000 0.503 559 L N -0.524 120.676 121.223 -0.038 0.000 2.334 559 L HA 0.816 3.863 4.340 -2.155 0.000 0.275 559 L C 0.557 177.295 176.870 -0.220 0.000 1.036 559 L CA -0.741 54.031 54.840 -0.114 0.000 0.807 559 L CB 1.815 43.759 42.059 -0.192 0.000 1.231 559 L HN 0.492 nan 8.230 nan 0.000 0.438 560 K N 1.423 121.484 120.400 -0.565 0.000 2.568 560 K HA 0.490 3.517 4.320 -2.155 0.000 0.273 560 K C -2.044 174.456 176.600 -0.167 0.000 0.951 560 K CA -0.995 55.094 56.287 -0.330 0.000 0.854 560 K CB 2.464 34.730 32.500 -0.390 0.000 1.424 560 K HN 0.599 nan 8.250 nan 0.000 0.427 561 W N 2.575 123.834 121.300 -0.067 0.000 3.047 561 W HA 0.397 3.767 4.660 -2.150 0.000 0.341 561 W C -1.270 175.344 176.519 0.158 0.000 1.225 561 W CA -0.879 56.517 57.345 0.085 0.000 1.150 561 W CB 1.737 31.111 29.460 -0.145 0.000 1.470 561 W HN 0.706 nan 8.180 nan 0.000 0.578 562 Y N -0.159 120.085 120.300 -0.094 0.000 2.354 562 Y HA 0.610 3.870 4.550 -2.149 0.000 0.322 562 Y C 0.953 177.067 175.900 0.357 0.000 1.253 562 Y CA -0.273 57.839 58.100 0.019 0.000 1.272 562 Y CB 0.431 38.776 38.460 -0.192 0.000 1.255 562 Y HN 0.425 nan 8.280 nan 0.000 0.500 563 G N 0.855 109.898 108.800 0.406 0.000 2.777 563 G HA2 0.082 2.749 3.960 -2.155 0.000 0.211 563 G HA3 0.082 2.749 3.960 -2.155 0.000 0.211 563 G C -0.493 174.760 174.900 0.589 0.000 1.149 563 G CA 0.037 45.435 45.100 0.497 0.000 0.785 563 G HN 0.493 nan 8.290 nan 0.000 0.536 564 L N 2.328 123.855 121.223 0.506 0.000 2.294 564 L HA 0.512 3.559 4.340 -2.155 0.000 0.283 564 L C -2.421 174.595 176.870 0.243 0.000 1.015 564 L CA -2.703 52.326 54.840 0.314 0.000 0.831 564 L CB 1.948 44.112 42.059 0.175 0.000 1.217 564 L HN -0.200 nan 8.230 nan 0.000 0.420 565 P HA 0.392 nan 4.420 nan 0.000 0.297 565 P C -1.471 175.717 177.300 -0.187 0.000 1.342 565 P CA -0.385 62.571 63.100 -0.241 0.000 0.801 565 P CB 1.517 32.711 31.700 -0.845 0.000 0.920 566 A N 4.416 127.120 122.820 -0.194 0.000 2.522 566 A HA 0.402 3.429 4.320 -2.155 0.000 0.285 566 A C -0.312 177.017 177.584 -0.425 0.000 1.198 566 A CA -0.642 51.220 52.037 -0.292 0.000 0.742 566 A CB 0.782 19.636 19.000 -0.244 0.000 1.176 566 A HN 0.293 nan 8.150 nan 0.000 0.444 567 V N 2.881 122.384 119.914 -0.686 0.000 2.521 567 V HA 0.255 3.082 4.120 -2.155 0.000 0.286 567 V C 1.239 176.837 176.094 -0.827 0.000 1.034 567 V CA 1.283 63.098 62.300 -0.807 0.000 1.045 567 V CB 0.976 32.104 31.823 -1.159 0.000 0.974 567 V HN 1.121 nan 8.190 nan 0.000 0.480 568 S N 1.696 117.127 115.700 -0.448 0.000 2.787 568 S HA 0.048 3.225 4.470 -2.155 0.000 0.255 568 S C 0.867 175.383 174.600 -0.140 0.000 1.051 568 S CA -0.032 58.002 58.200 -0.278 0.000 1.124 568 S CB -0.077 63.004 63.200 -0.198 0.000 1.104 568 S HN 0.787 nan 8.310 nan 0.000 0.623 569 N N 1.273 119.890 118.700 -0.137 0.000 2.230 569 N HA 0.285 3.732 4.740 -2.155 0.000 0.202 569 N C 0.149 175.662 175.510 0.005 0.000 1.119 569 N CA -0.229 52.780 53.050 -0.069 0.000 0.851 569 N CB -0.281 38.148 38.487 -0.095 0.000 0.990 569 N HN 0.404 nan 8.380 nan 0.000 0.497 570 M N 0.155 119.786 119.600 0.051 0.000 2.513 570 M HA 0.337 3.524 4.480 -2.155 0.000 0.291 570 M C -0.733 175.689 176.300 0.203 0.000 1.190 570 M CA -1.114 54.284 55.300 0.163 0.000 0.960 570 M CB 1.319 34.066 32.600 0.245 0.000 1.517 570 M HN 0.004 nan 8.290 nan 0.000 0.499 571 L N 2.354 123.705 121.223 0.213 0.000 2.333 571 L HA 0.568 3.614 4.340 -2.155 0.000 0.280 571 L C -1.634 175.367 176.870 0.218 0.000 1.004 571 L CA -0.851 54.107 54.840 0.196 0.000 0.820 571 L CB 1.309 43.434 42.059 0.110 0.000 1.247 571 L HN 0.575 nan 8.230 nan 0.000 0.416 572 L N 4.686 126.050 121.223 0.235 0.000 2.257 572 L HA 0.512 3.559 4.340 -2.155 0.000 0.290 572 L C -0.247 176.687 176.870 0.106 0.000 1.044 572 L CA 0.268 55.158 54.840 0.084 0.000 0.810 572 L CB 0.820 42.913 42.059 0.058 0.000 1.193 572 L HN 0.870 nan 8.230 nan 0.000 0.425 573 E N 6.043 126.209 120.200 -0.057 0.000 2.133 573 E HA 0.519 3.576 4.350 -2.155 0.000 0.274 573 E C -1.446 175.075 176.600 -0.130 0.000 0.930 573 E CA -0.508 55.865 56.400 -0.045 0.000 0.770 573 E CB 0.951 30.609 29.700 -0.070 0.000 1.104 573 E HN 0.718 nan 8.360 nan 0.000 0.403 574 I N 3.385 123.891 120.570 -0.106 0.000 2.499 574 I HA 0.315 3.191 4.170 -2.155 0.000 0.288 574 I C 0.685 176.564 176.117 -0.397 0.000 1.048 574 I CA -0.786 60.287 61.300 -0.378 0.000 1.062 574 I CB 2.105 39.849 38.000 -0.427 0.000 1.238 574 I HN 0.875 nan 8.210 nan 0.000 0.426 575 G N 4.160 112.655 108.800 -0.507 0.000 2.379 575 G HA2 -0.112 2.555 3.960 -2.155 0.000 0.297 575 G HA3 -0.112 2.555 3.960 -2.155 0.000 0.297 575 G C 1.053 176.016 174.900 0.105 0.000 1.004 575 G CA 0.908 45.975 45.100 -0.055 0.000 0.921 575 G HN 1.590 nan 8.290 nan 0.000 0.511 576 G N -1.907 106.900 108.800 0.012 0.000 2.284 576 G HA2 -0.264 2.402 3.960 -2.155 0.000 0.247 576 G HA3 -0.264 2.402 3.960 -2.155 0.000 0.247 576 G C 0.594 175.480 174.900 -0.024 0.000 1.012 576 G CA 0.527 45.647 45.100 0.034 0.000 0.618 576 G HN 1.314 nan 8.290 nan 0.000 0.521 577 L N 1.119 122.283 121.223 -0.098 0.000 2.417 577 L HA 0.495 3.542 4.340 -2.155 0.000 0.268 577 L C 0.355 177.030 176.870 -0.325 0.000 1.158 577 L CA -0.185 54.484 54.840 -0.285 0.000 0.819 577 L CB 0.744 42.518 42.059 -0.475 0.000 1.112 577 L HN 0.208 nan 8.230 nan 0.000 0.458 578 E N 3.078 123.022 120.200 -0.427 0.000 2.145 578 E HA 0.312 3.368 4.350 -2.155 0.000 0.262 578 E C -1.444 174.915 176.600 -0.403 0.000 0.883 578 E CA -0.376 55.854 56.400 -0.284 0.000 0.748 578 E CB 1.300 30.922 29.700 -0.131 0.000 1.140 578 E HN 0.279 nan 8.360 nan 0.000 0.417 579 F N 1.927 121.856 119.950 -0.034 0.000 2.309 579 F HA 0.086 3.318 4.527 -2.159 0.000 0.366 579 F C 1.600 177.435 175.800 0.058 0.000 1.104 579 F CA -0.572 57.427 58.000 -0.002 0.000 1.179 579 F CB 0.901 39.880 39.000 -0.036 0.000 1.437 579 F HN 0.385 nan 8.300 nan 0.000 0.528 580 S N 1.005 116.812 115.700 0.178 0.000 2.547 580 S HA 0.191 3.368 4.470 -2.155 0.000 0.235 580 S C 0.803 175.525 174.600 0.203 0.000 0.980 580 S CA 0.291 58.588 58.200 0.162 0.000 0.941 580 S CB -0.057 63.213 63.200 0.117 0.000 0.763 580 S HN 0.497 nan 8.310 nan 0.000 0.532 581 A N 0.888 123.875 122.820 0.278 0.000 2.410 581 A HA 0.588 3.615 4.320 -2.155 0.000 0.289 581 A C -0.109 177.688 177.584 0.355 0.000 1.200 581 A CA -0.644 51.589 52.037 0.326 0.000 0.751 581 A CB 0.299 19.537 19.000 0.396 0.000 1.161 581 A HN 0.988 nan 8.150 nan 0.000 0.459 582 C N 0.724 120.185 119.300 0.267 0.000 3.235 582 C HA 0.448 3.615 4.460 -2.155 0.000 0.198 582 C C -2.680 172.426 174.990 0.194 0.000 1.527 582 C CA -1.800 57.344 59.018 0.210 0.000 1.167 582 C CB -0.355 27.542 27.740 0.262 0.000 1.938 582 C HN 0.577 nan 8.230 nan 0.000 0.593 583 P HA 0.197 nan 4.420 nan 0.000 0.261 583 P C -0.595 176.689 177.300 -0.026 0.000 1.173 583 P CA 1.202 64.228 63.100 -0.124 0.000 0.760 583 P CB 0.256 31.855 31.700 -0.169 0.000 0.783 584 F N 0.138 119.997 119.950 -0.152 0.000 2.588 584 F HA 0.756 3.991 4.527 -2.153 0.000 0.310 584 F C -0.639 175.049 175.800 -0.187 0.000 1.082 584 F CA -1.213 56.704 58.000 -0.137 0.000 0.929 584 F CB 1.656 40.455 39.000 -0.335 0.000 1.254 584 F HN 0.396 nan 8.300 nan 0.000 0.455 585 S N 0.662 116.423 115.700 0.103 0.000 2.588 585 S HA 0.976 4.153 4.470 -2.155 0.000 0.275 585 S C -0.728 173.815 174.600 -0.095 0.000 1.130 585 S CA -0.168 58.024 58.200 -0.014 0.000 0.855 585 S CB 1.582 64.842 63.200 0.100 0.000 1.116 585 S HN 1.503 nan 8.310 nan 0.000 0.472 586 G N -0.134 108.565 108.800 -0.169 0.000 3.418 586 G HA2 0.712 3.379 3.960 -2.155 0.000 0.179 586 G HA3 0.712 3.379 3.960 -2.155 0.000 0.179 586 G C -1.701 173.185 174.900 -0.024 0.000 1.212 586 G CA -0.249 44.681 45.100 -0.283 0.000 0.935 586 G HN 1.209 nan 8.290 nan 0.000 0.716 587 W N -1.245 120.056 121.300 0.002 0.000 3.167 587 W HA 0.783 4.149 4.660 -2.157 0.000 0.324 587 W C -1.460 175.070 176.519 0.018 0.000 1.230 587 W CA -2.258 55.110 57.345 0.038 0.000 1.184 587 W CB 0.323 29.847 29.460 0.107 0.000 1.414 587 W HN 0.482 nan 8.180 nan 0.000 0.551 588 Y N 2.882 123.362 120.300 0.301 0.000 2.578 588 Y HA 0.137 3.393 4.550 -2.156 0.000 0.339 588 Y C 1.031 176.981 175.900 0.083 0.000 1.231 588 Y CA -0.106 58.051 58.100 0.095 0.000 1.461 588 Y CB 0.901 39.319 38.460 -0.071 0.000 1.323 588 Y HN 0.444 nan 8.280 nan 0.000 0.590 589 M N 3.116 122.854 119.600 0.229 0.000 2.180 589 M HA 0.312 3.499 4.480 -2.155 0.000 0.350 589 M C 1.152 177.451 176.300 -0.003 0.000 1.125 589 M CA -0.038 55.333 55.300 0.118 0.000 1.031 589 M CB 1.181 33.828 32.600 0.079 0.000 1.623 589 M HN 0.893 nan 8.290 nan 0.000 0.451 590 G N 1.984 110.746 108.800 -0.063 0.000 2.703 590 G HA2 -0.379 2.288 3.960 -2.155 0.000 0.222 590 G HA3 -0.379 2.288 3.960 -2.155 0.000 0.222 590 G C 1.153 175.912 174.900 -0.234 0.000 1.183 590 G CA 2.107 47.099 45.100 -0.181 0.000 0.775 590 G HN 0.905 nan 8.290 nan 0.000 0.615 591 T N -0.645 113.805 114.554 -0.173 0.000 2.760 591 T HA -0.162 2.895 4.350 -2.155 0.000 0.269 591 T C 1.935 176.476 174.700 -0.265 0.000 1.047 591 T CA 1.891 63.843 62.100 -0.246 0.000 1.139 591 T CB -0.458 68.234 68.868 -0.294 0.000 0.855 591 T HN 0.587 nan 8.240 nan 0.000 0.471 592 E N 0.881 120.947 120.200 -0.223 0.000 2.097 592 E HA -0.102 2.954 4.350 -2.155 0.000 0.196 592 E C 2.116 178.459 176.600 -0.428 0.000 1.000 592 E CA 1.688 57.963 56.400 -0.209 0.000 0.804 592 E CB -0.344 29.367 29.700 0.020 0.000 0.740 592 E HN 0.649 nan 8.360 nan 0.000 0.454 593 I N -0.154 119.996 120.570 -0.700 0.000 2.385 593 I HA -0.022 2.855 4.170 -2.155 0.000 0.244 593 I C 2.619 178.176 176.117 -0.933 0.000 1.089 593 I CA 0.776 61.373 61.300 -1.172 0.000 1.410 593 I CB -0.596 36.486 38.000 -1.531 0.000 1.117 593 I HN 0.084 nan 8.210 nan 0.000 0.429 594 G N 1.003 109.463 108.800 -0.567 0.000 2.440 594 G HA2 -0.163 2.504 3.960 -2.155 0.000 0.218 594 G HA3 -0.163 2.504 3.960 -2.155 0.000 0.218 594 G C 1.629 176.464 174.900 -0.108 0.000 1.154 594 G CA 1.271 46.246 45.100 -0.209 0.000 0.767 594 G HN 0.226 nan 8.290 nan 0.000 0.552 595 V N 0.165 119.966 119.914 -0.188 0.000 2.374 595 V HA 0.056 2.882 4.120 -2.155 0.000 0.241 595 V C 2.844 178.863 176.094 -0.126 0.000 1.034 595 V CA 1.153 63.370 62.300 -0.139 0.000 1.037 595 V CB -0.294 31.418 31.823 -0.185 0.000 0.682 595 V HN 0.130 nan 8.190 nan 0.000 0.463 596 R N 0.614 121.004 120.500 -0.183 0.000 2.051 596 R HA -0.016 3.031 4.340 -2.155 0.000 0.225 596 R C 2.009 178.239 176.300 -0.117 0.000 1.155 596 R CA 1.475 57.488 56.100 -0.144 0.000 0.945 596 R CB -1.213 28.991 30.300 -0.161 0.000 0.840 596 R HN 0.469 nan 8.270 nan 0.000 0.432 597 D N 0.263 120.504 120.400 -0.265 0.000 2.104 597 D HA -0.166 3.181 4.640 -2.155 0.000 0.194 597 D C 2.142 178.429 176.300 -0.021 0.000 0.994 597 D CA 1.341 55.180 54.000 -0.269 0.000 0.830 597 D CB -0.263 39.969 40.800 -0.947 0.000 0.959 597 D HN 0.348 nan 8.370 nan 0.000 0.452 598 Y N 0.104 120.284 120.300 -0.199 0.000 2.206 598 Y HA -0.109 3.147 4.550 -2.156 0.000 0.292 598 Y C 2.701 178.635 175.900 0.057 0.000 1.123 598 Y CA 0.401 58.473 58.100 -0.045 0.000 1.142 598 Y CB 0.090 38.496 38.460 -0.089 0.000 1.006 598 Y HN 0.033 nan 8.280 nan 0.000 0.518 599 C N -0.905 118.502 119.300 0.178 0.000 2.674 599 C HA 0.079 3.246 4.460 -2.155 0.000 0.276 599 C C 0.379 175.412 174.990 0.072 0.000 1.300 599 C CA -0.751 58.334 59.018 0.113 0.000 1.732 599 C CB -0.854 26.926 27.740 0.067 0.000 2.076 599 C HN 0.284 nan 8.230 nan 0.000 0.548 600 D N 1.685 122.116 120.400 0.052 0.000 2.583 600 D HA -0.044 3.302 4.640 -2.155 0.000 0.232 600 D C 0.997 177.332 176.300 0.059 0.000 1.128 600 D CA 0.548 54.568 54.000 0.033 0.000 0.859 600 D CB 0.306 41.122 40.800 0.028 0.000 1.169 600 D HN 0.204 nan 8.370 nan 0.000 0.481 601 N N 0.914 119.637 118.700 0.039 0.000 2.061 601 N HA -0.180 3.266 4.740 -2.155 0.000 0.193 601 N C 1.058 176.598 175.510 0.049 0.000 1.030 601 N CA 1.443 54.520 53.050 0.045 0.000 0.856 601 N CB 0.114 38.619 38.487 0.031 0.000 1.023 601 N HN 0.202 nan 8.380 nan 0.000 0.424 602 S N 0.002 115.729 115.700 0.044 0.000 2.607 602 S HA 0.119 3.295 4.470 -2.155 0.000 0.224 602 S C 0.965 175.601 174.600 0.060 0.000 0.969 602 S CA 0.209 58.436 58.200 0.044 0.000 0.927 602 S CB 0.190 63.414 63.200 0.040 0.000 0.772 602 S HN 0.229 nan 8.310 nan 0.000 0.533 603 R N 0.046 120.601 120.500 0.091 0.000 2.328 603 R HA 0.337 3.383 4.340 -2.155 0.000 0.114 603 R C 0.856 177.229 176.300 0.122 0.000 1.543 603 R CA -0.228 55.962 56.100 0.151 0.000 1.352 603 R CB -1.025 29.417 30.300 0.236 0.000 1.142 603 R HN 0.214 nan 8.270 nan 0.000 0.443 604 Y N 1.693 122.087 120.300 0.156 0.000 2.583 604 Y HA -0.009 3.246 4.550 -2.157 0.000 0.293 604 Y C 0.470 176.434 175.900 0.107 0.000 1.157 604 Y CA 0.254 58.446 58.100 0.154 0.000 1.315 604 Y CB -0.586 38.033 38.460 0.266 0.000 1.021 604 Y HN 0.446 nan 8.280 nan 0.000 0.536 605 N N 1.345 120.168 118.700 0.206 0.000 2.725 605 N HA -0.238 3.209 4.740 -2.155 0.000 0.280 605 N C 0.475 176.070 175.510 0.141 0.000 1.017 605 N CA 0.815 53.950 53.050 0.142 0.000 0.813 605 N CB -1.037 37.505 38.487 0.092 0.000 0.931 605 N HN 0.655 nan 8.380 nan 0.000 0.570 606 I N -2.515 118.149 120.570 0.157 0.000 3.883 606 I HA 0.083 2.959 4.170 -2.155 0.000 0.326 606 I C 1.543 177.749 176.117 0.148 0.000 1.283 606 I CA -0.327 61.048 61.300 0.126 0.000 1.161 606 I CB -0.097 37.944 38.000 0.068 0.000 1.012 606 I HN 0.185 nan 8.210 nan 0.000 0.421 607 L N 1.094 122.421 121.223 0.174 0.000 2.051 607 L HA -0.202 2.845 4.340 -2.155 0.000 0.214 607 L C 2.791 179.862 176.870 0.335 0.000 1.076 607 L CA 1.455 56.440 54.840 0.242 0.000 0.758 607 L CB -0.673 41.500 42.059 0.190 0.000 0.890 607 L HN 0.341 nan 8.230 nan 0.000 0.433 608 E N 0.399 120.764 120.200 0.274 0.000 2.048 608 E HA -0.265 2.791 4.350 -2.155 0.000 0.202 608 E C 1.996 178.649 176.600 0.090 0.000 1.021 608 E CA 2.072 58.590 56.400 0.196 0.000 0.825 608 E CB -0.181 29.592 29.700 0.121 0.000 0.756 608 E HN 0.660 nan 8.360 nan 0.000 0.454 609 E N 0.247 120.497 120.200 0.083 0.000 2.028 609 E HA -0.098 2.959 4.350 -2.155 0.000 0.190 609 E C 2.349 178.989 176.600 0.068 0.000 0.984 609 E CA 1.169 57.592 56.400 0.039 0.000 0.800 609 E CB -0.290 29.432 29.700 0.038 0.000 0.758 609 E HN 0.018 nan 8.360 nan 0.000 0.448 610 V N 2.001 122.014 119.914 0.165 0.000 2.370 610 V HA -0.340 2.487 4.120 -2.155 0.000 0.252 610 V C 2.439 178.697 176.094 0.274 0.000 1.068 610 V CA 1.993 64.477 62.300 0.307 0.000 1.061 610 V CB -0.950 31.090 31.823 0.362 0.000 0.656 610 V HN 0.378 nan 8.190 nan 0.000 0.455 611 A N -0.262 122.689 122.820 0.219 0.000 1.855 611 A HA -0.205 2.821 4.320 -2.155 0.000 0.215 611 A C 2.292 179.860 177.584 -0.028 0.000 1.191 611 A CA 1.884 54.025 52.037 0.173 0.000 0.613 611 A CB -0.455 18.668 19.000 0.206 0.000 0.829 611 A HN 0.529 nan 8.150 nan 0.000 0.442 612 K N 0.082 120.416 120.400 -0.109 0.000 2.015 612 K HA -0.212 2.815 4.320 -2.155 0.000 0.216 612 K C 1.937 178.376 176.600 -0.269 0.000 1.052 612 K CA 1.971 58.145 56.287 -0.188 0.000 0.937 612 K CB -0.297 32.102 32.500 -0.168 0.000 0.719 612 K HN 0.398 nan 8.250 nan 0.000 0.446 613 K N 0.251 120.426 120.400 -0.375 0.000 2.360 613 K HA -0.099 2.928 4.320 -2.155 0.000 0.201 613 K C 1.819 177.881 176.600 -0.898 0.000 1.046 613 K CA 1.063 56.854 56.287 -0.826 0.000 0.940 613 K CB -0.076 31.618 32.500 -1.343 0.000 0.748 613 K HN 0.260 nan 8.250 nan 0.000 0.465 614 M N 0.335 119.715 119.600 -0.366 0.000 2.495 614 M HA -0.026 3.161 4.480 -2.155 0.000 0.237 614 M C -0.429 175.778 176.300 -0.155 0.000 1.131 614 M CA 0.145 55.362 55.300 -0.138 0.000 1.032 614 M CB -0.047 32.668 32.600 0.191 0.000 1.513 614 M HN 0.033 nan 8.290 nan 0.000 0.488 615 D N 2.401 122.677 120.400 -0.205 0.000 3.038 615 D HA -0.143 3.204 4.640 -2.155 0.000 0.229 615 D C -1.590 174.654 176.300 -0.093 0.000 1.182 615 D CA 0.466 54.368 54.000 -0.163 0.000 0.852 615 D CB -0.507 40.188 40.800 -0.174 0.000 0.932 615 D HN 0.247 nan 8.370 nan 0.000 0.406 616 L N -0.233 120.941 121.223 -0.082 0.000 2.388 616 L HA 0.666 3.713 4.340 -2.155 0.000 0.264 616 L C -0.044 176.768 176.870 -0.096 0.000 0.998 616 L CA -1.307 53.514 54.840 -0.032 0.000 0.817 616 L CB 1.266 43.364 42.059 0.065 0.000 1.338 616 L HN -0.070 nan 8.230 nan 0.000 0.414 617 D N 1.888 122.255 120.400 -0.055 0.000 2.368 617 D HA 0.176 3.522 4.640 -2.155 0.000 0.268 617 D C 0.334 176.519 176.300 -0.192 0.000 1.298 617 D CA 0.662 54.607 54.000 -0.093 0.000 0.938 617 D CB 0.511 41.299 40.800 -0.019 0.000 1.101 617 D HN 0.654 nan 8.370 nan 0.000 0.509 618 M N 2.954 122.289 119.600 -0.441 0.000 2.493 618 M HA 0.172 3.359 4.480 -2.155 0.000 0.244 618 M C 1.609 177.680 176.300 -0.381 0.000 1.182 618 M CA -0.190 54.536 55.300 -0.956 0.000 0.981 618 M CB 0.406 32.234 32.600 -1.286 0.000 1.551 618 M HN 0.300 nan 8.290 nan 0.000 0.476 619 R N 1.791 122.201 120.500 -0.151 0.000 2.062 619 R HA -0.010 3.037 4.340 -2.155 0.000 0.229 619 R C 0.518 176.852 176.300 0.058 0.000 1.128 619 R CA 0.981 57.056 56.100 -0.042 0.000 0.960 619 R CB 0.076 30.358 30.300 -0.031 0.000 0.855 619 R HN 0.336 nan 8.270 nan 0.000 0.432 620 K N 0.332 120.801 120.400 0.115 0.000 2.292 620 K HA 0.217 3.244 4.320 -2.155 0.000 0.257 620 K C 0.519 177.271 176.600 0.253 0.000 0.940 620 K CA -0.261 56.117 56.287 0.152 0.000 0.811 620 K CB 1.966 34.523 32.500 0.096 0.000 1.120 620 K HN -0.110 nan 8.250 nan 0.000 0.428 621 T N -1.213 113.468 114.554 0.212 0.000 2.849 621 T HA -0.244 2.813 4.350 -2.155 0.000 0.270 621 T C 1.844 176.588 174.700 0.074 0.000 1.066 621 T CA 1.789 63.972 62.100 0.138 0.000 1.130 621 T CB -0.518 68.381 68.868 0.051 0.000 0.864 621 T HN 0.692 nan 8.240 nan 0.000 0.481 622 S N 1.719 117.468 115.700 0.083 0.000 2.595 622 S HA -0.054 3.123 4.470 -2.155 0.000 0.235 622 S C 2.041 176.686 174.600 0.075 0.000 0.974 622 S CA 0.858 59.092 58.200 0.057 0.000 0.942 622 S CB -0.891 62.338 63.200 0.050 0.000 0.766 622 S HN 0.803 nan 8.310 nan 0.000 0.536 623 S N 1.324 117.104 115.700 0.133 0.000 2.558 623 S HA 0.276 3.453 4.470 -2.155 0.000 0.217 623 S C 0.917 175.598 174.600 0.134 0.000 0.975 623 S CA 0.067 58.355 58.200 0.148 0.000 0.912 623 S CB -0.944 62.383 63.200 0.211 0.000 0.776 623 S HN 0.647 nan 8.310 nan 0.000 0.526 624 L N 1.157 122.419 121.223 0.065 0.000 3.737 624 L HA -0.176 2.870 4.340 -2.155 0.000 0.418 624 L C 1.602 178.479 176.870 0.011 0.000 1.216 624 L CA 0.711 55.532 54.840 -0.032 0.000 0.915 624 L CB -2.433 39.623 42.059 -0.006 0.000 1.834 624 L HN 0.747 nan 8.230 nan 0.000 0.943 625 W N -0.160 121.161 121.300 0.034 0.000 2.402 625 W HA -0.121 3.246 4.660 -2.156 0.000 0.286 625 W C 1.725 178.276 176.519 0.053 0.000 1.221 625 W CA 1.155 58.526 57.345 0.044 0.000 1.257 625 W CB -0.630 28.851 29.460 0.035 0.000 1.120 625 W HN 0.272 nan 8.180 nan 0.000 0.551 626 K N 1.070 121.038 120.400 -0.719 0.000 2.057 626 K HA -0.155 2.872 4.320 -2.155 0.000 0.206 626 K C 1.534 178.005 176.600 -0.214 0.000 1.050 626 K CA 2.330 58.224 56.287 -0.655 0.000 0.935 626 K CB -0.306 31.633 32.500 -0.935 0.000 0.715 626 K HN 0.029 nan 8.250 nan 0.000 0.439 627 D N 0.493 120.785 120.400 -0.179 0.000 2.097 627 D HA -0.181 3.165 4.640 -2.155 0.000 0.195 627 D C 1.980 178.284 176.300 0.007 0.000 0.989 627 D CA 1.042 54.997 54.000 -0.075 0.000 0.827 627 D CB -0.035 40.725 40.800 -0.065 0.000 0.966 627 D HN 0.147 nan 8.370 nan 0.000 0.456 628 Q N 0.233 120.065 119.800 0.055 0.000 2.030 628 Q HA -0.192 2.855 4.340 -2.155 0.000 0.204 628 Q C 2.079 178.171 176.000 0.153 0.000 0.986 628 Q CA 1.911 57.784 55.803 0.117 0.000 0.843 628 Q CB -0.202 28.636 28.738 0.166 0.000 0.904 628 Q HN 0.299 nan 8.270 nan 0.000 0.420 629 A N 0.349 123.287 122.820 0.197 0.000 1.851 629 A HA -0.215 2.811 4.320 -2.155 0.000 0.216 629 A C 2.019 179.709 177.584 0.177 0.000 1.195 629 A CA 1.539 53.723 52.037 0.245 0.000 0.622 629 A CB -1.153 18.030 19.000 0.306 0.000 0.831 629 A HN 0.497 nan 8.150 nan 0.000 0.444 630 L N 0.229 121.516 121.223 0.107 0.000 2.034 630 L HA -0.241 2.805 4.340 -2.155 0.000 0.217 630 L C 2.415 179.318 176.870 0.054 0.000 1.077 630 L CA 2.541 57.418 54.840 0.063 0.000 0.769 630 L CB -0.670 41.387 42.059 -0.004 0.000 0.890 630 L HN 0.221 nan 8.230 nan 0.000 0.435 631 V N -0.442 119.502 119.914 0.050 0.000 2.233 631 V HA -0.280 2.546 4.120 -2.155 0.000 0.247 631 V C 2.622 178.738 176.094 0.036 0.000 1.050 631 V CA 2.015 64.340 62.300 0.041 0.000 1.010 631 V CB -0.917 30.935 31.823 0.048 0.000 0.637 631 V HN 0.462 nan 8.190 nan 0.000 0.444 632 E N 0.090 120.330 120.200 0.066 0.000 2.097 632 E HA -0.214 2.843 4.350 -2.155 0.000 0.196 632 E C 2.160 178.765 176.600 0.008 0.000 1.000 632 E CA 1.618 58.051 56.400 0.056 0.000 0.804 632 E CB -0.465 29.274 29.700 0.065 0.000 0.740 632 E HN 0.608 nan 8.360 nan 0.000 0.454 633 I N 1.188 121.828 120.570 0.115 0.000 2.163 633 I HA -0.322 2.555 4.170 -2.155 0.000 0.243 633 I C 1.688 177.840 176.117 0.058 0.000 1.085 633 I CA 1.411 62.818 61.300 0.179 0.000 1.347 633 I CB -0.395 37.762 38.000 0.262 0.000 1.044 633 I HN 0.066 nan 8.210 nan 0.000 0.408 634 N N 0.364 119.075 118.700 0.018 0.000 2.520 634 N HA -0.077 3.369 4.740 -2.155 0.000 0.185 634 N C 1.641 177.108 175.510 -0.073 0.000 1.068 634 N CA 0.708 53.741 53.050 -0.029 0.000 0.911 634 N CB 0.054 38.521 38.487 -0.034 0.000 0.961 634 N HN 0.272 nan 8.380 nan 0.000 0.446 635 I N 0.366 120.849 120.570 -0.145 0.000 2.286 635 I HA -0.090 2.787 4.170 -2.155 0.000 0.245 635 I C 2.224 178.143 176.117 -0.331 0.000 1.104 635 I CA 0.704 61.853 61.300 -0.252 0.000 1.397 635 I CB -1.285 36.468 38.000 -0.412 0.000 1.072 635 I HN 0.101 nan 8.210 nan 0.000 0.417 636 A N 0.774 123.318 122.820 -0.460 0.000 1.902 636 A HA -0.126 2.901 4.320 -2.155 0.000 0.217 636 A C 2.555 180.115 177.584 -0.041 0.000 1.181 636 A CA 1.614 53.401 52.037 -0.418 0.000 0.623 636 A CB -0.913 17.630 19.000 -0.762 0.000 0.818 636 A HN 0.218 nan 8.150 nan 0.000 0.443 637 V N 0.154 120.076 119.914 0.013 0.000 2.237 637 V HA -0.280 2.547 4.120 -2.155 0.000 0.245 637 V C 2.603 178.717 176.094 0.034 0.000 1.046 637 V CA 2.121 64.455 62.300 0.057 0.000 1.007 637 V CB -0.840 30.931 31.823 -0.086 0.000 0.638 637 V HN 0.587 nan 8.190 nan 0.000 0.445 638 L N -1.305 119.891 121.223 -0.044 0.000 2.013 638 L HA -0.266 2.781 4.340 -2.155 0.000 0.212 638 L C 2.504 179.406 176.870 0.053 0.000 1.073 638 L CA 2.289 57.116 54.840 -0.022 0.000 0.753 638 L CB -0.809 41.234 42.059 -0.026 0.000 0.890 638 L HN 0.424 nan 8.230 nan 0.000 0.432 639 Y N 0.699 120.946 120.300 -0.090 0.000 2.128 639 Y HA -0.314 2.943 4.550 -2.155 0.000 0.284 639 Y C 2.807 178.697 175.900 -0.016 0.000 1.154 639 Y CA 1.788 59.830 58.100 -0.097 0.000 1.149 639 Y CB -0.378 37.950 38.460 -0.219 0.000 0.976 639 Y HN 0.102 nan 8.280 nan 0.000 0.505 640 S N 0.201 115.891 115.700 -0.017 0.000 2.351 640 S HA -0.202 2.975 4.470 -2.155 0.000 0.220 640 S C 1.818 176.399 174.600 -0.032 0.000 1.035 640 S CA 1.582 59.754 58.200 -0.047 0.000 1.031 640 S CB -0.940 62.337 63.200 0.129 0.000 0.928 640 S HN 0.436 nan 8.310 nan 0.000 0.433 641 F N 2.169 122.059 119.950 -0.100 0.000 2.091 641 F HA -0.192 3.041 4.527 -2.156 0.000 0.299 641 F C 2.700 178.434 175.800 -0.110 0.000 1.103 641 F CA 1.407 59.364 58.000 -0.070 0.000 1.228 641 F CB -0.793 38.189 39.000 -0.030 0.000 0.984 641 F HN 0.271 nan 8.300 nan 0.000 0.477 642 Q N -0.817 119.008 119.800 0.042 0.000 2.084 642 Q HA -0.162 2.885 4.340 -2.155 0.000 0.202 642 Q C 2.327 178.238 176.000 -0.149 0.000 0.978 642 Q CA 1.791 57.559 55.803 -0.057 0.000 0.844 642 Q CB -0.479 28.215 28.738 -0.074 0.000 0.898 642 Q HN 0.291 nan 8.270 nan 0.000 0.426 643 S N 1.242 116.775 115.700 -0.279 0.000 2.399 643 S HA -0.108 3.068 4.470 -2.155 0.000 0.231 643 S C 0.849 175.341 174.600 -0.180 0.000 1.022 643 S CA 1.237 59.258 58.200 -0.299 0.000 0.983 643 S CB -0.062 62.845 63.200 -0.489 0.000 0.803 643 S HN 0.332 nan 8.310 nan 0.000 0.480 644 D N 0.577 120.879 120.400 -0.163 0.000 2.342 644 D HA 0.177 3.524 4.640 -2.155 0.000 0.221 644 D C 0.098 176.331 176.300 -0.113 0.000 1.101 644 D CA 0.047 53.966 54.000 -0.136 0.000 0.837 644 D CB -0.065 40.635 40.800 -0.167 0.000 0.938 644 D HN 0.236 nan 8.370 nan 0.000 0.508 645 K N -0.237 120.105 120.400 -0.097 0.000 3.035 645 K HA -0.153 2.873 4.320 -2.155 0.000 0.262 645 K C -0.559 176.005 176.600 -0.060 0.000 1.024 645 K CA 0.147 56.391 56.287 -0.072 0.000 0.748 645 K CB -1.469 30.990 32.500 -0.068 0.000 1.247 645 K HN 0.079 nan 8.250 nan 0.000 0.482 646 V N 1.309 121.191 119.914 -0.054 0.000 2.509 646 V HA 0.093 2.920 4.120 -2.155 0.000 0.284 646 V C 0.983 177.146 176.094 0.115 0.000 1.047 646 V CA -0.499 61.791 62.300 -0.016 0.000 0.952 646 V CB 1.692 33.408 31.823 -0.179 0.000 0.988 646 V HN 0.182 nan 8.190 nan 0.000 0.469 647 T N 6.408 121.005 114.554 0.071 0.000 2.928 647 T HA 0.450 3.506 4.350 -2.155 0.000 0.305 647 T C -0.213 174.580 174.700 0.155 0.000 1.035 647 T CA 0.620 62.703 62.100 -0.028 0.000 1.145 647 T CB 0.176 68.889 68.868 -0.259 0.000 0.963 647 T HN 0.592 nan 8.240 nan 0.000 0.545 648 I N 2.029 122.620 120.570 0.035 0.000 2.842 648 I HA 0.550 3.427 4.170 -2.155 0.000 0.296 648 I C -1.654 174.491 176.117 0.046 0.000 1.538 648 I CA -0.898 60.456 61.300 0.091 0.000 0.994 648 I CB 1.858 39.837 38.000 -0.036 0.000 1.372 648 I HN 0.461 nan 8.210 nan 0.000 0.478 649 V N 5.118 125.112 119.914 0.134 0.000 2.735 649 V HA 0.499 3.326 4.120 -2.155 0.000 0.310 649 V C -1.186 174.958 176.094 0.083 0.000 1.061 649 V CA -0.265 62.111 62.300 0.127 0.000 0.913 649 V CB 2.384 34.363 31.823 0.260 0.000 1.005 649 V HN 0.876 nan 8.190 nan 0.000 0.428 650 D N 3.257 123.690 120.400 0.055 0.000 2.348 650 D HA 0.257 3.603 4.640 -2.155 0.000 0.249 650 D C 1.219 177.531 176.300 0.021 0.000 1.110 650 D CA -0.105 53.920 54.000 0.041 0.000 0.967 650 D CB 0.576 41.374 40.800 -0.003 0.000 1.139 650 D HN 0.724 nan 8.370 nan 0.000 0.466 651 H N 0.122 119.134 119.070 -0.097 0.000 2.456 651 H HA -0.164 3.099 4.556 -2.156 0.000 0.296 651 H C 1.022 176.252 175.328 -0.163 0.000 1.079 651 H CA 1.410 57.359 56.048 -0.165 0.000 1.322 651 H CB -0.672 28.928 29.762 -0.270 0.000 1.388 651 H HN 0.532 nan 8.280 nan 0.000 0.538 652 H N 1.001 119.858 119.070 -0.354 0.000 2.326 652 H HA 0.005 3.268 4.556 -2.155 0.000 0.301 652 H C 2.322 177.623 175.328 -0.046 0.000 1.081 652 H CA 1.481 57.417 56.048 -0.187 0.000 1.334 652 H CB 0.092 29.706 29.762 -0.248 0.000 1.385 652 H HN 0.357 nan 8.280 nan 0.000 0.504 653 S N 0.656 116.404 115.700 0.080 0.000 2.371 653 S HA -0.040 3.137 4.470 -2.155 0.000 0.224 653 S C 2.474 177.142 174.600 0.113 0.000 1.029 653 S CA 0.717 58.970 58.200 0.088 0.000 0.978 653 S CB -0.187 63.056 63.200 0.073 0.000 0.833 653 S HN 0.501 nan 8.310 nan 0.000 0.466 654 A N 2.030 124.918 122.820 0.113 0.000 1.865 654 A HA -0.161 2.865 4.320 -2.155 0.000 0.217 654 A C 2.477 180.161 177.584 0.166 0.000 1.191 654 A CA 2.320 54.444 52.037 0.145 0.000 0.623 654 A CB -1.594 17.479 19.000 0.122 0.000 0.826 654 A HN 0.631 nan 8.150 nan 0.000 0.444 655 T N -1.950 112.684 114.554 0.133 0.000 2.821 655 T HA -0.165 2.891 4.350 -2.155 0.000 0.267 655 T C 1.766 176.593 174.700 0.213 0.000 1.046 655 T CA 1.526 63.728 62.100 0.171 0.000 1.139 655 T CB -0.383 68.551 68.868 0.109 0.000 0.871 655 T HN 0.638 nan 8.240 nan 0.000 0.454 656 E N 1.081 121.379 120.200 0.163 0.000 2.077 656 E HA -0.142 2.914 4.350 -2.155 0.000 0.193 656 E C 2.345 179.032 176.600 0.145 0.000 0.989 656 E CA 1.294 57.779 56.400 0.143 0.000 0.800 656 E CB -0.256 29.510 29.700 0.110 0.000 0.746 656 E HN 0.532 nan 8.360 nan 0.000 0.452 657 S N 0.218 116.014 115.700 0.159 0.000 2.356 657 S HA -0.157 3.019 4.470 -2.155 0.000 0.223 657 S C 1.505 176.219 174.600 0.189 0.000 1.032 657 S CA 1.186 59.480 58.200 0.157 0.000 1.005 657 S CB -0.486 62.814 63.200 0.167 0.000 0.867 657 S HN 0.396 nan 8.310 nan 0.000 0.449 658 F N 2.353 122.372 119.950 0.114 0.000 2.161 658 F HA -0.122 3.112 4.527 -2.156 0.000 0.300 658 F C 1.846 177.741 175.800 0.159 0.000 1.089 658 F CA 0.980 59.067 58.000 0.145 0.000 1.282 658 F CB -0.272 38.793 39.000 0.109 0.000 1.010 658 F HN 0.103 nan 8.300 nan 0.000 0.485 659 I N 0.684 121.312 120.570 0.098 0.000 2.179 659 I HA -0.310 2.566 4.170 -2.155 0.000 0.242 659 I C 2.450 178.530 176.117 -0.062 0.000 1.088 659 I CA 1.575 62.881 61.300 0.010 0.000 1.357 659 I CB -1.360 36.701 38.000 0.101 0.000 1.051 659 I HN 0.218 nan 8.210 nan 0.000 0.409 660 K N 0.103 120.502 120.400 -0.002 0.000 2.057 660 K HA -0.277 2.749 4.320 -2.155 0.000 0.207 660 K C 2.356 178.937 176.600 -0.032 0.000 1.049 660 K CA 1.757 58.043 56.287 -0.001 0.000 0.931 660 K CB -0.266 32.257 32.500 0.039 0.000 0.714 660 K HN 0.294 nan 8.250 nan 0.000 0.440 661 H N 0.368 119.353 119.070 -0.142 0.000 2.352 661 H HA -0.079 3.184 4.556 -2.155 0.000 0.299 661 H C 2.000 177.185 175.328 -0.239 0.000 1.097 661 H CA 2.259 58.202 56.048 -0.174 0.000 1.311 661 H CB -0.084 29.556 29.762 -0.204 0.000 1.377 661 H HN 0.163 nan 8.280 nan 0.000 0.504 662 M N 0.067 119.369 119.600 -0.496 0.000 2.108 662 M HA -0.167 3.019 4.480 -2.155 0.000 0.261 662 M C 1.988 178.229 176.300 -0.098 0.000 1.066 662 M CA 2.029 57.101 55.300 -0.381 0.000 1.107 662 M CB -0.052 32.359 32.600 -0.314 0.000 1.356 662 M HN 0.487 nan 8.290 nan 0.000 0.406 663 E N -0.254 119.886 120.200 -0.101 0.000 2.150 663 E HA -0.165 2.891 4.350 -2.155 0.000 0.193 663 E C 1.604 178.188 176.600 -0.027 0.000 0.985 663 E CA 0.856 57.234 56.400 -0.036 0.000 0.814 663 E CB -0.210 29.463 29.700 -0.045 0.000 0.752 663 E HN 0.575 nan 8.360 nan 0.000 0.466 664 N N 1.021 119.668 118.700 -0.089 0.000 2.135 664 N HA -0.112 3.335 4.740 -2.155 0.000 0.186 664 N C 1.681 177.117 175.510 -0.124 0.000 1.027 664 N CA 0.755 53.758 53.050 -0.077 0.000 0.849 664 N CB -0.104 38.351 38.487 -0.053 0.000 1.002 664 N HN 0.142 nan 8.380 nan 0.000 0.425 665 E N 0.394 120.430 120.200 -0.275 0.000 2.160 665 E HA -0.150 2.906 4.350 -2.155 0.000 0.195 665 E C 1.697 178.133 176.600 -0.274 0.000 0.991 665 E CA 0.743 56.939 56.400 -0.340 0.000 0.810 665 E CB -0.289 29.075 29.700 -0.560 0.000 0.742 665 E HN 0.493 nan 8.360 nan 0.000 0.466 666 Y N 1.128 121.322 120.300 -0.176 0.000 2.263 666 Y HA -0.143 3.114 4.550 -2.155 0.000 0.292 666 Y C 2.556 178.402 175.900 -0.089 0.000 1.130 666 Y CA 1.766 59.797 58.100 -0.116 0.000 1.179 666 Y CB 0.073 38.474 38.460 -0.099 0.000 0.998 666 Y HN 0.079 nan 8.280 nan 0.000 0.532 667 R N -2.101 118.424 120.500 0.042 0.000 2.210 667 R HA 0.058 3.105 4.340 -2.155 0.000 0.203 667 R C 1.509 177.796 176.300 -0.022 0.000 1.010 667 R CA 1.319 57.428 56.100 0.015 0.000 1.008 667 R CB -0.948 29.362 30.300 0.017 0.000 0.923 667 R HN 0.206 nan 8.270 nan 0.000 0.469 668 C N -0.343 118.929 119.300 -0.047 0.000 2.674 668 C HA 0.360 3.527 4.460 -2.155 0.000 0.276 668 C C 2.189 177.134 174.990 -0.074 0.000 1.300 668 C CA -0.150 58.841 59.018 -0.045 0.000 1.732 668 C CB -0.343 27.382 27.740 -0.025 0.000 2.076 668 C HN 0.528 nan 8.230 nan 0.000 0.548 669 R N -0.193 120.230 120.500 -0.129 0.000 2.453 669 R HA 0.282 3.328 4.340 -2.155 0.000 0.233 669 R C 1.305 177.496 176.300 -0.182 0.000 0.895 669 R CA 0.907 56.915 56.100 -0.154 0.000 1.028 669 R CB 0.495 30.671 30.300 -0.206 0.000 1.255 669 R HN 0.386 nan 8.270 nan 0.000 0.571 670 G N -0.134 108.544 108.800 -0.204 0.000 2.137 670 G HA2 -0.118 2.549 3.960 -2.155 0.000 0.237 670 G HA3 -0.118 2.549 3.960 -2.155 0.000 0.237 670 G C 0.089 174.760 174.900 -0.382 0.000 1.002 670 G CA 0.049 45.021 45.100 -0.213 0.000 0.702 670 G HN 0.779 nan 8.290 nan 0.000 0.515 671 G N -2.441 105.953 108.800 -0.677 0.000 2.321 671 G HA2 0.546 3.213 3.960 -2.155 0.000 0.298 671 G HA3 0.546 3.213 3.960 -2.155 0.000 0.298 671 G C -0.894 173.545 174.900 -0.768 0.000 1.385 671 G CA 0.331 44.823 45.100 -1.014 0.000 0.856 671 G HN 1.849 nan 8.290 nan 0.000 0.584 672 C N 2.293 121.260 119.300 -0.554 0.000 3.044 672 C HA 0.612 3.779 4.460 -2.155 0.000 0.382 672 C C -2.512 172.385 174.990 -0.155 0.000 1.071 672 C CA -1.108 57.739 59.018 -0.284 0.000 1.296 672 C CB 0.836 28.427 27.740 -0.248 0.000 1.730 672 C HN 0.700 nan 8.230 nan 0.000 0.513 673 P HA 0.349 nan 4.420 nan 0.000 0.263 673 P C -0.578 176.614 177.300 -0.180 0.000 1.195 673 P CA 0.729 63.461 63.100 -0.613 0.000 0.762 673 P CB 0.921 32.098 31.700 -0.871 0.000 0.799 674 A N 2.878 125.659 122.820 -0.065 0.000 2.427 674 A HA 0.378 3.405 4.320 -2.155 0.000 0.298 674 A C -0.876 176.752 177.584 0.073 0.000 1.036 674 A CA -0.579 51.511 52.037 0.089 0.000 0.701 674 A CB 1.175 20.360 19.000 0.307 0.000 1.250 674 A HN 0.444 nan 8.150 nan 0.000 0.412 675 D N 2.294 122.719 120.400 0.041 0.000 2.456 675 D HA 0.122 3.469 4.640 -2.155 0.000 0.219 675 D C 0.822 177.231 176.300 0.182 0.000 1.126 675 D CA -0.463 53.594 54.000 0.095 0.000 0.890 675 D CB 0.301 41.108 40.800 0.012 0.000 1.025 675 D HN 0.607 nan 8.370 nan 0.000 0.511 676 W N 3.898 125.226 121.300 0.047 0.000 2.318 676 W HA -0.285 3.082 4.660 -2.155 0.000 0.313 676 W C 1.797 178.349 176.519 0.056 0.000 1.221 676 W CA 1.309 58.675 57.345 0.034 0.000 1.266 676 W CB -0.064 29.397 29.460 0.001 0.000 1.150 676 W HN 0.306 nan 8.180 nan 0.000 0.496 677 V N -0.509 119.686 119.914 0.468 0.000 2.324 677 V HA -0.337 2.490 4.120 -2.155 0.000 0.250 677 V C 1.656 177.855 176.094 0.175 0.000 1.060 677 V CA 2.231 64.751 62.300 0.366 0.000 1.042 677 V CB -1.018 31.032 31.823 0.377 0.000 0.650 677 V HN 0.313 nan 8.190 nan 0.000 0.450 678 W N -1.196 120.084 121.300 -0.035 0.000 2.576 678 W HA 0.163 3.529 4.660 -2.157 0.000 0.275 678 W C 2.246 178.653 176.519 -0.187 0.000 1.241 678 W CA 0.104 57.397 57.345 -0.087 0.000 1.328 678 W CB -0.245 29.184 29.460 -0.052 0.000 1.092 678 W HN 0.086 nan 8.180 nan 0.000 0.586 679 I N 0.054 120.592 120.570 -0.052 0.000 2.179 679 I HA -0.141 2.736 4.170 -2.155 0.000 0.242 679 I C 0.757 176.681 176.117 -0.322 0.000 1.088 679 I CA 0.912 62.055 61.300 -0.262 0.000 1.357 679 I CB -1.782 35.986 38.000 -0.386 0.000 1.051 679 I HN -0.405 nan 8.210 nan 0.000 0.409 680 V N 3.961 123.588 119.914 -0.478 0.000 2.450 680 V HA 0.035 2.862 4.120 -2.155 0.000 0.281 680 V C -1.844 174.074 176.094 -0.294 0.000 1.019 680 V CA -0.960 61.057 62.300 -0.472 0.000 1.062 680 V CB -0.281 31.036 31.823 -0.843 0.000 0.979 680 V HN 0.150 nan 8.190 nan 0.000 0.477 681 P HA 0.060 nan 4.420 nan 0.000 0.267 681 P C -1.794 175.374 177.300 -0.220 0.000 1.201 681 P CA -0.865 62.108 63.100 -0.210 0.000 0.775 681 P CB 0.058 31.639 31.700 -0.198 0.000 0.854 682 P HA 0.006 nan 4.420 nan 0.000 0.247 682 P C -0.112 177.073 177.300 -0.192 0.000 1.225 682 P CA 1.037 64.017 63.100 -0.200 0.000 0.768 682 P CB -0.066 31.510 31.700 -0.206 0.000 1.020 683 M N -4.448 115.007 119.600 -0.243 0.000 2.470 683 M HA 0.492 3.679 4.480 -2.155 0.000 0.285 683 M C -0.452 175.723 176.300 -0.208 0.000 1.213 683 M CA -0.531 54.633 55.300 -0.226 0.000 0.901 683 M CB 1.938 34.373 32.600 -0.276 0.000 1.718 683 M HN -0.338 nan 8.290 nan 0.000 0.469 684 S N 0.908 116.541 115.700 -0.112 0.000 3.533 684 S HA -0.183 2.994 4.470 -2.155 0.000 0.347 684 S C 1.116 175.677 174.600 -0.064 0.000 1.101 684 S CA 0.941 59.115 58.200 -0.042 0.000 1.009 684 S CB -1.994 61.252 63.200 0.078 0.000 0.916 684 S HN 1.254 nan 8.310 nan 0.000 0.496 685 G N 2.447 111.183 108.800 -0.106 0.000 2.719 685 G HA2 -0.368 2.299 3.960 -2.155 0.000 0.219 685 G HA3 -0.368 2.299 3.960 -2.155 0.000 0.219 685 G C 1.496 176.254 174.900 -0.237 0.000 1.234 685 G CA 1.770 46.815 45.100 -0.092 0.000 0.788 685 G HN 1.348 nan 8.290 nan 0.000 0.619 686 S N 0.850 116.120 115.700 -0.717 0.000 2.507 686 S HA -0.019 3.157 4.470 -2.155 0.000 0.235 686 S C 2.140 176.655 174.600 -0.142 0.000 0.988 686 S CA 1.173 58.735 58.200 -1.063 0.000 0.944 686 S CB -0.466 61.992 63.200 -1.236 0.000 0.762 686 S HN 0.808 nan 8.310 nan 0.000 0.526 687 I N 0.583 121.143 120.570 -0.017 0.000 3.812 687 I HA 0.235 3.112 4.170 -2.155 0.000 0.320 687 I C 0.364 176.609 176.117 0.214 0.000 1.276 687 I CA -0.263 61.117 61.300 0.134 0.000 1.164 687 I CB -0.628 37.453 38.000 0.134 0.000 1.009 687 I HN 0.211 nan 8.210 nan 0.000 0.431 688 T N -2.300 112.371 114.554 0.195 0.000 2.895 688 T HA 0.493 3.550 4.350 -2.155 0.000 0.283 688 T C -1.966 172.910 174.700 0.294 0.000 1.014 688 T CA -1.869 60.354 62.100 0.204 0.000 1.037 688 T CB 1.908 70.840 68.868 0.106 0.000 1.006 688 T HN -0.184 nan 8.240 nan 0.000 0.468 689 P HA -0.111 nan 4.420 nan 0.000 0.215 689 P C 1.914 179.417 177.300 0.339 0.000 1.153 689 P CA 1.060 64.348 63.100 0.313 0.000 0.853 689 P CB -0.324 31.506 31.700 0.216 0.000 0.788 690 V N -3.533 116.526 119.914 0.240 0.000 2.688 690 V HA -0.238 2.589 4.120 -2.155 0.000 0.256 690 V C 2.069 178.241 176.094 0.129 0.000 1.084 690 V CA 1.437 63.842 62.300 0.175 0.000 1.103 690 V CB -2.065 29.785 31.823 0.045 0.000 0.688 690 V HN -0.029 nan 8.190 nan 0.000 0.480 691 F N 1.751 121.708 119.950 0.010 0.000 2.171 691 F HA -0.118 3.115 4.527 -2.156 0.000 0.300 691 F C 2.412 178.319 175.800 0.178 0.000 1.090 691 F CA 2.136 60.141 58.000 0.008 0.000 1.293 691 F CB -0.230 38.652 39.000 -0.197 0.000 1.013 691 F HN 0.291 nan 8.300 nan 0.000 0.486 692 H N -1.034 118.320 119.070 0.475 0.000 2.539 692 H HA 0.115 3.378 4.556 -2.155 0.000 0.269 692 H C 0.243 175.794 175.328 0.373 0.000 0.980 692 H CA 0.102 56.391 56.048 0.402 0.000 1.152 692 H CB -0.089 29.922 29.762 0.416 0.000 1.407 692 H HN 0.242 nan 8.280 nan 0.000 0.564 693 Q N 2.222 122.280 119.800 0.430 0.000 2.331 693 Q HA 0.132 3.178 4.340 -2.155 0.000 0.257 693 Q C -0.529 175.692 176.000 0.368 0.000 0.957 693 Q CA -0.361 55.652 55.803 0.350 0.000 0.923 693 Q CB 0.639 29.556 28.738 0.298 0.000 1.212 693 Q HN 0.256 nan 8.270 nan 0.000 0.443 694 E N 3.632 123.997 120.200 0.275 0.000 2.392 694 E HA 0.224 3.281 4.350 -2.155 0.000 0.264 694 E C -0.505 176.223 176.600 0.213 0.000 1.024 694 E CA 0.303 56.825 56.400 0.203 0.000 0.903 694 E CB 0.810 30.614 29.700 0.173 0.000 0.963 694 E HN 0.595 nan 8.360 nan 0.000 0.432 695 M N 2.351 122.083 119.600 0.219 0.000 2.518 695 M HA 0.380 3.566 4.480 -2.155 0.000 0.300 695 M C -1.044 175.365 176.300 0.180 0.000 1.175 695 M CA -0.625 54.820 55.300 0.242 0.000 0.890 695 M CB 1.856 34.652 32.600 0.327 0.000 1.710 695 M HN 0.232 nan 8.290 nan 0.000 0.453 696 L N 2.013 123.355 121.223 0.199 0.000 2.296 696 L HA 0.506 3.553 4.340 -2.155 0.000 0.286 696 L C -0.494 176.467 176.870 0.151 0.000 1.023 696 L CA -0.358 54.600 54.840 0.197 0.000 0.812 696 L CB 1.402 43.620 42.059 0.266 0.000 1.223 696 L HN 0.714 nan 8.230 nan 0.000 0.421 697 N N 3.048 121.827 118.700 0.132 0.000 2.372 697 N HA 0.592 4.039 4.740 -2.155 0.000 0.291 697 N C -1.744 173.846 175.510 0.133 0.000 1.024 697 N CA -0.406 52.649 53.050 0.008 0.000 0.873 697 N CB 1.564 40.067 38.487 0.027 0.000 1.206 697 N HN 0.478 nan 8.380 nan 0.000 0.486 698 Y N -0.500 119.808 120.300 0.014 0.000 2.641 698 Y HA 0.436 3.693 4.550 -2.155 0.000 0.333 698 Y C -1.421 174.472 175.900 -0.012 0.000 1.174 698 Y CA -1.355 56.750 58.100 0.009 0.000 1.057 698 Y CB 0.650 39.131 38.460 0.034 0.000 1.322 698 Y HN 0.249 nan 8.280 nan 0.000 0.457 699 R N 2.029 122.618 120.500 0.149 0.000 2.428 699 R HA 0.817 3.864 4.340 -2.155 0.000 0.294 699 R C -1.332 175.024 176.300 0.094 0.000 1.000 699 R CA -0.769 55.360 56.100 0.047 0.000 0.960 699 R CB 1.492 31.800 30.300 0.013 0.000 1.076 699 R HN 0.676 nan 8.270 nan 0.000 0.475 700 L N 1.155 122.394 121.223 0.026 0.000 2.409 700 L HA 0.534 3.581 4.340 -2.155 0.000 0.262 700 L C -0.098 176.761 176.870 -0.019 0.000 0.992 700 L CA -0.986 53.873 54.840 0.032 0.000 0.817 700 L CB 2.538 44.622 42.059 0.041 0.000 1.350 700 L HN 0.735 nan 8.230 nan 0.000 0.411 701 T N -1.307 113.244 114.554 -0.004 0.000 2.918 701 T HA 0.650 3.706 4.350 -2.155 0.000 0.286 701 T C -2.719 171.987 174.700 0.010 0.000 1.026 701 T CA -2.259 59.822 62.100 -0.032 0.000 1.031 701 T CB 1.710 70.563 68.868 -0.025 0.000 1.046 701 T HN 0.191 nan 8.240 nan 0.000 0.479 702 P HA 0.298 nan 4.420 nan 0.000 0.268 702 P C -0.522 176.646 177.300 -0.221 0.000 1.208 702 P CA -0.143 62.861 63.100 -0.161 0.000 0.777 702 P CB 0.460 32.033 31.700 -0.212 0.000 0.875 703 S N 0.490 116.016 115.700 -0.291 0.000 2.638 703 S HA 0.676 3.853 4.470 -2.155 0.000 0.274 703 S C -1.387 172.962 174.600 -0.417 0.000 1.157 703 S CA -0.835 57.177 58.200 -0.313 0.000 0.826 703 S CB 0.856 63.959 63.200 -0.162 0.000 1.139 703 S HN 0.149 nan 8.310 nan 0.000 0.474 704 F N 1.161 121.020 119.950 -0.152 0.000 2.427 704 F HA 0.628 3.861 4.527 -2.156 0.000 0.346 704 F C 0.668 176.360 175.800 -0.179 0.000 1.120 704 F CA -0.378 57.533 58.000 -0.147 0.000 1.033 704 F CB 1.596 40.467 39.000 -0.215 0.000 1.126 704 F HN 0.507 nan 8.300 nan 0.000 0.462 705 E N 2.205 122.432 120.200 0.044 0.000 2.359 705 E HA 0.304 3.360 4.350 -2.155 0.000 0.266 705 E C -1.182 175.402 176.600 -0.026 0.000 0.920 705 E CA -0.890 55.459 56.400 -0.087 0.000 0.788 705 E CB 2.079 31.755 29.700 -0.040 0.000 1.279 705 E HN 0.509 nan 8.360 nan 0.000 0.438 706 Y N 0.747 121.053 120.300 0.010 0.000 2.299 706 Y HA 0.175 3.431 4.550 -2.157 0.000 0.335 706 Y C 1.016 176.902 175.900 -0.022 0.000 1.287 706 Y CA -0.263 57.831 58.100 -0.009 0.000 1.424 706 Y CB 1.018 39.463 38.460 -0.026 0.000 1.326 706 Y HN 0.311 nan 8.280 nan 0.000 0.567 707 Q N 0.337 120.217 119.800 0.133 0.000 2.435 707 Q HA 0.495 3.542 4.340 -2.155 0.000 0.282 707 Q C -3.166 172.785 176.000 -0.082 0.000 1.020 707 Q CA -2.415 53.398 55.803 0.016 0.000 0.820 707 Q CB 1.601 30.340 28.738 0.003 0.000 1.436 707 Q HN 0.287 nan 8.270 nan 0.000 0.395 708 P HA 0.040 nan 4.420 nan 0.000 0.264 708 P C -0.878 176.193 177.300 -0.381 0.000 1.183 708 P CA 0.130 63.101 63.100 -0.215 0.000 0.763 708 P CB 0.358 31.956 31.700 -0.170 0.000 0.807 709 D N 4.481 124.540 120.400 -0.568 0.000 2.525 709 D HA -0.056 3.290 4.640 -2.155 0.000 0.235 709 D C -0.968 174.700 176.300 -1.054 0.000 1.137 709 D CA -0.720 52.642 54.000 -1.064 0.000 0.868 709 D CB 0.459 40.220 40.800 -1.732 0.000 1.180 709 D HN 0.294 nan 8.370 nan 0.000 0.465 710 P HA -0.153 nan 4.420 nan 0.000 0.218 710 P C 1.410 178.128 177.300 -0.969 0.000 1.148 710 P CA 1.312 63.783 63.100 -1.049 0.000 0.822 710 P CB -0.104 30.654 31.700 -1.571 0.000 0.784 711 W N 0.851 121.610 121.300 -0.902 0.000 2.467 711 W HA 0.088 3.451 4.660 -2.161 0.000 0.275 711 W C 1.175 177.702 176.519 0.014 0.000 1.239 711 W CA 0.575 57.737 57.345 -0.304 0.000 1.266 711 W CB -2.367 27.105 29.460 0.020 0.000 1.112 711 W HN -0.119 nan 8.180 nan 0.000 0.576 712 N N 0.303 118.839 118.700 -0.274 0.000 2.421 712 N HA 0.036 3.483 4.740 -2.155 0.000 0.201 712 N C 0.534 176.008 175.510 -0.061 0.000 1.198 712 N CA 1.052 54.052 53.050 -0.083 0.000 0.838 712 N CB 0.063 38.425 38.487 -0.209 0.000 1.011 712 N HN 0.348 nan 8.380 nan 0.000 0.463 713 T N -5.246 109.284 114.554 -0.041 0.000 3.416 713 T HA -0.003 3.053 4.350 -2.155 0.000 0.298 713 T C -0.363 174.382 174.700 0.075 0.000 0.874 713 T CA -0.452 61.644 62.100 -0.007 0.000 0.901 713 T CB -0.390 68.431 68.868 -0.077 0.000 1.215 713 T HN 0.093 nan 8.240 nan 0.000 0.677 714 H N 2.574 121.665 119.070 0.035 0.000 2.502 714 H HA 0.587 3.852 4.556 -2.152 0.000 0.327 714 H C 0.096 175.504 175.328 0.134 0.000 1.099 714 H CA -0.481 55.596 56.048 0.048 0.000 1.323 714 H CB 1.527 31.316 29.762 0.044 0.000 1.450 714 H HN 0.258 nan 8.280 nan 0.000 0.502 715 V N 3.652 123.211 119.914 -0.591 0.000 2.284 715 V HA 0.241 3.067 4.120 -2.155 0.000 0.260 715 V C -0.054 175.690 176.094 -0.583 0.000 1.084 715 V CA -1.083 61.001 62.300 -0.359 0.000 0.894 715 V CB -1.297 30.416 31.823 -0.183 0.000 1.119 715 V HN 0.598 nan 8.190 nan 0.000 0.484 716 W N 0.000 121.065 121.300 -0.392 0.000 2.388 716 W HA 0.000 3.366 4.660 -2.157 0.000 0.303 716 W CA 0.000 57.264 57.345 -0.136 0.000 1.226 716 W CB 0.000 29.480 29.460 0.034 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535