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 3hsn_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP XXXXXXXXXV DATA SEQUENCE RTKDQLFPLA 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 DPWNTHVWKG 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 0.000 176.300 176.300 -0.000 0.000 0.893 299 R CA 0.000 55.967 56.100 -0.222 0.000 0.921 299 R CB 0.000 29.980 30.300 -0.534 0.000 0.687 300 F N 3.430 123.448 119.950 0.113 0.000 2.444 300 F HA 0.431 4.534 4.527 -0.707 0.000 0.360 300 F C 0.254 176.106 175.800 0.087 0.000 1.106 300 F CA -0.440 57.639 58.000 0.132 0.000 1.170 300 F CB 0.315 39.356 39.000 0.068 0.000 1.113 300 F HN -0.063 nan 8.300 nan 0.000 0.521 301 L N 4.269 125.646 121.223 0.258 0.000 2.331 301 L HA 0.527 4.443 4.340 -0.706 0.000 0.275 301 L C -0.003 176.932 176.870 0.109 0.000 1.022 301 L CA -0.941 53.949 54.840 0.083 0.000 0.812 301 L CB 1.786 43.780 42.059 -0.108 0.000 1.257 301 L HN 0.490 nan 8.230 nan 0.000 0.435 302 K N 2.205 122.643 120.400 0.063 0.000 2.207 302 K HA 0.658 4.554 4.320 -0.706 0.000 0.255 302 K C -1.035 175.575 176.600 0.016 0.000 0.941 302 K CA -0.723 55.586 56.287 0.036 0.000 0.825 302 K CB 2.805 35.311 32.500 0.009 0.000 1.119 302 K HN 0.423 nan 8.250 nan 0.000 0.430 303 V N -0.828 119.069 119.914 -0.029 0.000 2.656 303 V HA 0.543 4.239 4.120 -0.706 0.000 0.307 303 V C -0.713 175.317 176.094 -0.106 0.000 1.051 303 V CA -0.963 61.318 62.300 -0.032 0.000 0.893 303 V CB 1.630 33.449 31.823 -0.007 0.000 0.999 303 V HN 0.765 nan 8.190 nan 0.000 0.426 304 K N 3.679 124.018 120.400 -0.101 0.000 2.182 304 K HA 0.429 4.325 4.320 -0.706 0.000 0.262 304 K C -0.533 175.965 176.600 -0.169 0.000 0.957 304 K CA -0.669 55.468 56.287 -0.250 0.000 0.842 304 K CB 1.541 33.719 32.500 -0.537 0.000 1.099 304 K HN 0.904 nan 8.250 nan 0.000 0.438 305 N N 3.944 122.554 118.700 -0.151 0.000 2.422 305 N HA 0.055 4.372 4.740 -0.706 0.000 0.264 305 N C -0.260 175.214 175.510 -0.060 0.000 1.063 305 N CA -0.185 52.869 53.050 0.006 0.000 0.959 305 N CB 0.452 38.961 38.487 0.036 0.000 1.087 305 N HN 0.674 nan 8.380 nan 0.000 0.483 306 W N 2.140 123.523 121.300 0.138 0.000 2.905 306 W HA 0.100 4.336 4.660 -0.707 0.000 0.251 306 W C 1.880 178.456 176.519 0.095 0.000 1.305 306 W CA -0.144 57.276 57.345 0.125 0.000 1.465 306 W CB 0.419 29.980 29.460 0.169 0.000 1.122 306 W HN 0.644 nan 8.180 nan 0.000 0.659 307 E N -0.577 119.757 120.200 0.225 0.000 2.307 307 E HA -0.062 3.865 4.350 -0.706 0.000 0.195 307 E C 2.067 178.680 176.600 0.021 0.000 0.975 307 E CA 1.613 58.040 56.400 0.045 0.000 0.878 307 E CB 0.059 29.666 29.700 -0.154 0.000 0.845 307 E HN 0.096 nan 8.360 nan 0.000 0.488 308 T N -3.324 111.243 114.554 0.021 0.000 3.010 308 T HA 0.179 4.105 4.350 -0.706 0.000 0.257 308 T C 0.270 174.944 174.700 -0.043 0.000 1.020 308 T CA 0.347 62.441 62.100 -0.010 0.000 0.938 308 T CB 0.176 69.040 68.868 -0.007 0.000 1.049 308 T HN -0.045 nan 8.240 nan 0.000 0.522 309 D N 0.257 120.610 120.400 -0.078 0.000 3.028 309 D HA -0.136 4.080 4.640 -0.706 0.000 0.211 309 D C 0.023 176.231 176.300 -0.154 0.000 1.136 309 D CA 0.706 54.615 54.000 -0.152 0.000 0.987 309 D CB -1.900 38.832 40.800 -0.114 0.000 1.128 309 D HN 0.474 nan 8.370 nan 0.000 0.406 310 V N 0.646 120.492 119.914 -0.114 0.000 2.617 310 V HA 0.095 3.791 4.120 -0.706 0.000 0.304 310 V C 0.892 176.894 176.094 -0.152 0.000 1.040 310 V CA 0.206 62.439 62.300 -0.112 0.000 1.149 310 V CB 1.347 33.120 31.823 -0.084 0.000 0.914 310 V HN -0.017 nan 8.190 nan 0.000 0.487 311 V N 7.014 126.839 119.914 -0.148 0.000 2.495 311 V HA 0.522 4.218 4.120 -0.706 0.000 0.298 311 V C -0.130 175.866 176.094 -0.163 0.000 1.031 311 V CA -0.534 61.669 62.300 -0.162 0.000 0.871 311 V CB 1.734 33.473 31.823 -0.140 0.000 0.988 311 V HN 0.630 nan 8.190 nan 0.000 0.432 312 L N 3.175 124.258 121.223 -0.233 0.000 2.333 312 L HA 0.688 4.604 4.340 -0.706 0.000 0.269 312 L C 0.021 176.811 176.870 -0.134 0.000 1.010 312 L CA -0.467 54.201 54.840 -0.286 0.000 0.818 312 L CB 2.351 43.947 42.059 -0.771 0.000 1.306 312 L HN 0.521 nan 8.230 nan 0.000 0.430 313 T N 0.035 114.616 114.554 0.044 0.000 2.771 313 T HA 0.198 4.124 4.350 -0.706 0.000 0.281 313 T C -0.769 174.137 174.700 0.344 0.000 0.982 313 T CA -0.424 61.766 62.100 0.150 0.000 0.978 313 T CB 1.257 70.171 68.868 0.075 0.000 0.930 313 T HN 0.430 nan 8.240 nan 0.000 0.447 314 D N 2.375 122.998 120.400 0.372 0.000 2.329 314 D HA 0.203 4.420 4.640 -0.706 0.000 0.232 314 D C 0.884 177.378 176.300 0.323 0.000 1.088 314 D CA -0.294 53.931 54.000 0.375 0.000 0.835 314 D CB 1.475 42.523 40.800 0.413 0.000 1.078 314 D HN 0.641 nan 8.370 nan 0.000 0.495 315 T N 0.971 115.610 114.554 0.142 0.000 2.985 315 T HA -0.022 3.904 4.350 -0.706 0.000 0.254 315 T C 1.753 176.374 174.700 -0.131 0.000 1.021 315 T CA -0.241 61.885 62.100 0.043 0.000 0.957 315 T CB 0.159 68.970 68.868 -0.094 0.000 1.047 315 T HN 0.251 nan 8.240 nan 0.000 0.511 316 L N 2.822 123.994 121.223 -0.085 0.000 2.217 316 L HA 0.021 3.937 4.340 -0.706 0.000 0.211 316 L C 2.544 179.231 176.870 -0.306 0.000 1.107 316 L CA 1.607 56.371 54.840 -0.126 0.000 0.783 316 L CB -0.825 41.219 42.059 -0.025 0.000 0.919 316 L HN 0.549 nan 8.230 nan 0.000 0.442 317 H N -0.902 117.797 119.070 -0.618 0.000 2.489 317 H HA -0.143 3.989 4.556 -0.707 0.000 0.293 317 H C 1.781 176.831 175.328 -0.462 0.000 1.066 317 H CA 1.480 56.834 56.048 -1.157 0.000 1.305 317 H CB -0.767 28.311 29.762 -1.141 0.000 1.386 317 H HN 0.437 nan 8.280 nan 0.000 0.551 318 L N 0.414 121.101 121.223 -0.893 0.000 2.549 318 L HA -0.039 3.877 4.340 -0.706 0.000 0.229 318 L C 1.919 178.648 176.870 -0.235 0.000 1.158 318 L CA 0.855 55.391 54.840 -0.507 0.000 0.842 318 L CB -0.094 41.711 42.059 -0.424 0.000 0.952 318 L HN 0.151 nan 8.230 nan 0.000 0.452 319 K N -0.476 119.807 120.400 -0.195 0.000 2.374 319 K HA 0.078 3.975 4.320 -0.706 0.000 0.196 319 K C 0.800 177.388 176.600 -0.019 0.000 1.023 319 K CA -0.101 56.140 56.287 -0.077 0.000 1.103 319 K CB 0.409 32.882 32.500 -0.045 0.000 0.848 319 K HN 0.214 nan 8.250 nan 0.000 0.528 320 S N 0.346 116.030 115.700 -0.027 0.000 2.528 320 S HA 0.058 4.104 4.470 -0.706 0.000 0.277 320 S C 0.987 175.610 174.600 0.039 0.000 1.297 320 S CA -0.487 57.746 58.200 0.055 0.000 1.052 320 S CB 1.303 64.572 63.200 0.115 0.000 0.917 320 S HN 0.194 nan 8.310 nan 0.000 0.492 321 T N 2.087 116.672 114.554 0.052 0.000 3.034 321 T HA 0.262 4.188 4.350 -0.706 0.000 0.248 321 T C 0.797 175.525 174.700 0.046 0.000 1.040 321 T CA -0.152 61.974 62.100 0.043 0.000 1.107 321 T CB -0.405 68.490 68.868 0.045 0.000 0.932 321 T HN 0.540 nan 8.240 nan 0.000 0.474 322 L N 1.284 122.540 121.223 0.055 0.000 2.456 322 L HA 0.465 4.381 4.340 -0.706 0.000 0.257 322 L C 0.399 177.304 176.870 0.059 0.000 1.162 322 L CA -0.605 54.265 54.840 0.050 0.000 0.808 322 L CB 0.528 42.613 42.059 0.043 0.000 1.136 322 L HN 0.176 nan 8.230 nan 0.000 0.466 323 E N -0.924 119.306 120.200 0.050 0.000 2.232 323 E HA 0.234 4.160 4.350 -0.706 0.000 0.264 323 E C 0.115 176.748 176.600 0.056 0.000 0.973 323 E CA -0.210 56.222 56.400 0.053 0.000 0.849 323 E CB 1.799 31.526 29.700 0.044 0.000 1.198 323 E HN 0.712 nan 8.360 nan 0.000 0.407 324 T N -2.183 112.406 114.554 0.059 0.000 3.015 324 T HA 0.260 4.186 4.350 -0.706 0.000 0.250 324 T C 1.365 176.097 174.700 0.054 0.000 1.057 324 T CA 0.471 62.608 62.100 0.061 0.000 1.066 324 T CB 0.355 69.265 68.868 0.071 0.000 0.959 324 T HN 0.764 nan 8.240 nan 0.000 0.488 325 G N 0.541 109.371 108.800 0.050 0.000 2.258 325 G HA2 -0.249 3.287 3.960 -0.706 0.000 0.233 325 G HA3 -0.249 3.287 3.960 -0.706 0.000 0.233 325 G C 0.364 175.292 174.900 0.047 0.000 1.006 325 G CA -0.193 44.936 45.100 0.048 0.000 0.620 325 G HN 0.747 nan 8.290 nan 0.000 0.511 326 C N 1.744 121.072 119.300 0.047 0.000 2.580 326 C HA 0.803 4.839 4.460 -0.706 0.000 0.371 326 C C 1.170 176.184 174.990 0.041 0.000 1.308 326 C CA 0.696 59.740 59.018 0.043 0.000 2.428 326 C CB 0.845 28.608 27.740 0.039 0.000 2.529 326 C HN 1.015 nan 8.230 nan 0.000 0.657 327 T N -1.511 113.068 114.554 0.041 0.000 2.831 327 T HA 0.384 4.311 4.350 -0.706 0.000 0.287 327 T C 0.377 175.082 174.700 0.009 0.000 1.070 327 T CA -0.500 61.624 62.100 0.041 0.000 1.010 327 T CB 1.030 69.943 68.868 0.076 0.000 1.264 327 T HN 0.540 nan 8.240 nan 0.000 0.532 328 E N -0.352 119.828 120.200 -0.033 0.000 2.265 328 E HA -0.093 3.833 4.350 -0.706 0.000 0.196 328 E C 1.556 177.999 176.600 -0.261 0.000 0.996 328 E CA 1.310 57.615 56.400 -0.159 0.000 0.832 328 E CB -0.150 29.409 29.700 -0.235 0.000 0.756 328 E HN 0.582 nan 8.360 nan 0.000 0.491 329 H N -1.490 117.583 119.070 0.006 0.000 2.654 329 H HA 0.348 4.480 4.556 -0.706 0.000 0.264 329 H C 0.180 175.511 175.328 0.005 0.000 0.954 329 H CA 0.232 56.283 56.048 0.004 0.000 1.199 329 H CB 1.137 30.902 29.762 0.005 0.000 1.446 329 H HN 0.093 nan 8.280 nan 0.000 0.516 330 I N 0.756 121.388 120.570 0.103 0.000 2.607 330 I HA 0.170 3.916 4.170 -0.706 0.000 0.290 330 I C -1.088 175.054 176.117 0.042 0.000 1.129 330 I CA -0.703 60.637 61.300 0.067 0.000 1.042 330 I CB 2.030 40.071 38.000 0.067 0.000 1.242 330 I HN 0.024 nan 8.210 nan 0.000 0.421 331 C N 7.781 127.099 119.300 0.030 0.000 2.295 331 C HA 0.546 4.582 4.460 -0.706 0.000 0.331 331 C C 0.701 175.711 174.990 0.033 0.000 1.280 331 C CA -0.478 58.555 59.018 0.025 0.000 1.746 331 C CB 0.411 28.157 27.740 0.009 0.000 2.328 331 C HN 0.865 nan 8.230 nan 0.000 0.521 332 M N 4.980 124.605 119.600 0.042 0.000 2.673 332 M HA 0.207 4.263 4.480 -0.706 0.000 0.334 332 M C 1.761 178.099 176.300 0.064 0.000 1.211 332 M CA 0.010 55.341 55.300 0.051 0.000 0.962 332 M CB 0.227 32.858 32.600 0.051 0.000 1.343 332 M HN 0.995 nan 8.290 nan 0.000 0.511 333 G N 1.009 109.846 108.800 0.061 0.000 2.479 333 G HA2 -0.203 3.333 3.960 -0.706 0.000 0.220 333 G HA3 -0.203 3.333 3.960 -0.706 0.000 0.220 333 G C 1.460 176.432 174.900 0.120 0.000 1.115 333 G CA 1.458 46.608 45.100 0.083 0.000 0.757 333 G HN 0.577 nan 8.290 nan 0.000 0.560 334 S N -0.495 115.270 115.700 0.107 0.000 2.540 334 S HA 0.342 4.388 4.470 -0.706 0.000 0.218 334 S C 0.717 175.396 174.600 0.133 0.000 0.977 334 S CA -0.603 57.676 58.200 0.132 0.000 0.918 334 S CB 0.136 63.395 63.200 0.100 0.000 0.806 334 S HN 0.010 nan 8.310 nan 0.000 0.496 335 I N 2.849 123.486 120.570 0.112 0.000 2.496 335 I HA 0.184 3.931 4.170 -0.706 0.000 0.285 335 I C 1.673 177.869 176.117 0.132 0.000 1.080 335 I CA -0.009 61.352 61.300 0.102 0.000 1.404 335 I CB 0.405 38.449 38.000 0.074 0.000 1.403 335 I HN 0.306 nan 8.210 nan 0.000 0.539 336 M N 5.893 125.573 119.600 0.134 0.000 2.086 336 M HA -0.063 3.993 4.480 -0.706 0.000 0.261 336 M C 0.339 176.694 176.300 0.093 0.000 1.067 336 M CA 1.787 57.186 55.300 0.164 0.000 1.116 336 M CB -0.114 32.567 32.600 0.136 0.000 1.348 336 M HN 0.394 nan 8.290 nan 0.000 0.407 337 L N 0.520 121.767 121.223 0.039 0.000 2.433 337 L HA 0.397 4.313 4.340 -0.706 0.000 0.256 337 L C -2.253 174.646 176.870 0.048 0.000 1.063 337 L CA -1.678 53.181 54.840 0.031 0.000 0.922 337 L CB 0.149 42.168 42.059 -0.066 0.000 1.238 337 L HN -0.019 nan 8.230 nan 0.000 0.466 349 R N 1.540 122.016 120.500 -0.039 0.000 2.537 349 R HA 0.503 4.419 4.340 -0.706 0.000 0.280 349 R C 0.611 176.887 176.300 -0.040 0.000 1.058 349 R CA 0.406 56.484 56.100 -0.036 0.000 1.057 349 R CB 1.043 31.318 30.300 -0.043 0.000 0.973 349 R HN 1.069 nan 8.270 nan 0.000 0.438 350 T N -0.881 113.657 114.554 -0.027 0.000 2.816 350 T HA 0.134 4.060 4.350 -0.706 0.000 0.282 350 T C 1.197 175.861 174.700 -0.059 0.000 0.993 350 T CA -0.721 61.364 62.100 -0.025 0.000 0.994 350 T CB 1.130 70.001 68.868 0.004 0.000 1.025 350 T HN 0.468 nan 8.240 nan 0.000 0.529 351 K N 0.743 121.103 120.400 -0.067 0.000 2.044 351 K HA -0.178 3.718 4.320 -0.706 0.000 0.210 351 K C 1.845 178.364 176.600 -0.135 0.000 1.049 351 K CA 2.307 58.478 56.287 -0.193 0.000 0.927 351 K CB -0.427 32.055 32.500 -0.031 0.000 0.713 351 K HN 0.663 nan 8.250 nan 0.000 0.443 352 D N 0.628 121.113 120.400 0.142 0.000 2.144 352 D HA -0.145 4.071 4.640 -0.706 0.000 0.199 352 D C 1.958 178.357 176.300 0.165 0.000 0.984 352 D CA 1.089 55.248 54.000 0.264 0.000 0.834 352 D CB -0.034 40.864 40.800 0.162 0.000 0.955 352 D HN 0.258 nan 8.370 nan 0.000 0.465 353 Q N -0.507 119.330 119.800 0.062 0.000 2.119 353 Q HA -0.086 3.830 4.340 -0.706 0.000 0.201 353 Q C 1.857 177.868 176.000 0.019 0.000 0.972 353 Q CA 0.577 56.402 55.803 0.038 0.000 0.847 353 Q CB -0.004 28.741 28.738 0.012 0.000 0.903 353 Q HN 0.229 nan 8.270 nan 0.000 0.433 354 L N -0.481 120.701 121.223 -0.068 0.000 2.095 354 L HA -0.039 3.877 4.340 -0.706 0.000 0.204 354 L C 1.684 178.499 176.870 -0.092 0.000 1.080 354 L CA 1.435 56.209 54.840 -0.110 0.000 0.759 354 L CB -0.457 41.483 42.059 -0.198 0.000 0.914 354 L HN 0.080 nan 8.230 nan 0.000 0.439 355 F N 0.439 120.386 119.950 -0.004 0.000 2.063 355 F HA -0.195 3.909 4.527 -0.705 0.000 0.298 355 F C -0.168 175.624 175.800 -0.014 0.000 1.109 355 F CA 1.970 59.949 58.000 -0.037 0.000 1.212 355 F CB -2.477 36.502 39.000 -0.034 0.000 0.973 355 F HN 0.204 nan 8.300 nan 0.000 0.480 356 P HA -0.125 nan 4.420 nan 0.000 0.217 356 P C 1.889 179.262 177.300 0.121 0.000 1.150 356 P CA 1.410 64.592 63.100 0.137 0.000 0.832 356 P CB -0.106 31.661 31.700 0.111 0.000 0.787 357 L N -0.955 120.334 121.223 0.110 0.000 2.056 357 L HA -0.138 3.778 4.340 -0.706 0.000 0.207 357 L C 2.539 179.513 176.870 0.172 0.000 1.078 357 L CA 1.597 56.510 54.840 0.121 0.000 0.749 357 L CB -1.242 40.870 42.059 0.089 0.000 0.901 357 L HN -0.057 nan 8.230 nan 0.000 0.433 358 A N 0.123 123.023 122.820 0.134 0.000 1.898 358 A HA -0.245 3.651 4.320 -0.706 0.000 0.216 358 A C 2.403 180.093 177.584 0.177 0.000 1.181 358 A CA 1.916 54.032 52.037 0.133 0.000 0.620 358 A CB -0.442 18.404 19.000 -0.258 0.000 0.819 358 A HN 0.321 nan 8.150 nan 0.000 0.442 359 K N -0.153 120.321 120.400 0.124 0.000 2.032 359 K HA -0.236 3.660 4.320 -0.706 0.000 0.209 359 K C 2.106 178.808 176.600 0.169 0.000 1.048 359 K CA 1.779 58.141 56.287 0.126 0.000 0.927 359 K CB -0.241 32.313 32.500 0.090 0.000 0.712 359 K HN 0.618 nan 8.250 nan 0.000 0.441 360 E N -0.276 120.029 120.200 0.175 0.000 2.049 360 E HA -0.258 3.668 4.350 -0.706 0.000 0.198 360 E C 1.920 178.654 176.600 0.223 0.000 1.007 360 E CA 1.699 58.209 56.400 0.183 0.000 0.809 360 E CB -0.280 29.518 29.700 0.165 0.000 0.749 360 E HN 0.393 nan 8.360 nan 0.000 0.450 361 F N 1.187 121.216 119.950 0.131 0.000 2.102 361 F HA -0.143 3.961 4.527 -0.705 0.000 0.298 361 F C 2.002 177.899 175.800 0.161 0.000 1.105 361 F CA 1.403 59.492 58.000 0.148 0.000 1.239 361 F CB -0.309 38.784 39.000 0.155 0.000 0.991 361 F HN 0.008 nan 8.300 nan 0.000 0.474 362 L N -0.033 121.208 121.223 0.030 0.000 2.083 362 L HA -0.218 3.698 4.340 -0.706 0.000 0.209 362 L C 2.177 179.086 176.870 0.064 0.000 1.083 362 L CA 1.390 56.243 54.840 0.022 0.000 0.752 362 L CB -0.911 41.289 42.059 0.234 0.000 0.899 362 L HN 0.083 nan 8.230 nan 0.000 0.433 363 D N 0.046 120.536 120.400 0.150 0.000 2.116 363 D HA -0.245 3.971 4.640 -0.706 0.000 0.193 363 D C 2.268 178.644 176.300 0.125 0.000 0.998 363 D CA 1.662 55.800 54.000 0.231 0.000 0.836 363 D CB -0.236 40.795 40.800 0.386 0.000 0.951 363 D HN 0.553 nan 8.370 nan 0.000 0.449 364 Q N -0.608 119.191 119.800 -0.002 0.000 2.079 364 Q HA -0.213 3.703 4.340 -0.706 0.000 0.200 364 Q C 2.232 178.044 176.000 -0.314 0.000 0.974 364 Q CA 1.018 56.774 55.803 -0.078 0.000 0.840 364 Q CB -0.771 27.971 28.738 0.007 0.000 0.898 364 Q HN 0.368 nan 8.270 nan 0.000 0.430 365 Y N 0.858 120.698 120.300 -0.767 0.000 2.097 365 Y HA -0.287 3.839 4.550 -0.705 0.000 0.282 365 Y C 1.720 177.143 175.900 -0.795 0.000 1.152 365 Y CA 1.647 59.024 58.100 -1.204 0.000 1.136 365 Y CB -0.586 37.087 38.460 -1.312 0.000 0.975 365 Y HN 0.091 nan 8.280 nan 0.000 0.498 366 Y N -0.761 119.130 120.300 -0.681 0.000 2.293 366 Y HA -0.186 3.940 4.550 -0.706 0.000 0.291 366 Y C 3.076 178.729 175.900 -0.411 0.000 1.137 366 Y CA 1.729 59.420 58.100 -0.680 0.000 1.202 366 Y CB -0.777 37.122 38.460 -0.934 0.000 0.990 366 Y HN 0.203 nan 8.280 nan 0.000 0.537 367 S N -0.544 115.101 115.700 -0.092 0.000 2.368 367 S HA -0.211 3.835 4.470 -0.706 0.000 0.225 367 S C 2.389 176.903 174.600 -0.143 0.000 1.030 367 S CA 1.551 59.737 58.200 -0.024 0.000 0.999 367 S CB -0.637 62.538 63.200 -0.041 0.000 0.844 367 S HN 0.627 nan 8.310 nan 0.000 0.459 368 S N 2.061 117.613 115.700 -0.247 0.000 2.382 368 S HA -0.103 3.943 4.470 -0.706 0.000 0.228 368 S C 1.675 176.147 174.600 -0.212 0.000 1.027 368 S CA 1.263 59.358 58.200 -0.176 0.000 0.991 368 S CB -1.007 62.119 63.200 -0.123 0.000 0.823 368 S HN 0.802 nan 8.310 nan 0.000 0.469 369 I N -2.054 118.277 120.570 -0.398 0.000 3.806 369 I HA 0.367 4.113 4.170 -0.706 0.000 0.321 369 I C -0.037 175.974 176.117 -0.178 0.000 1.315 369 I CA -0.504 60.605 61.300 -0.319 0.000 1.148 369 I CB -0.507 37.189 38.000 -0.507 0.000 1.028 369 I HN 0.007 nan 8.210 nan 0.000 0.415 370 K N 1.476 121.804 120.400 -0.120 0.000 3.071 370 K HA -0.159 3.737 4.320 -0.706 0.000 0.265 370 K C -0.223 176.377 176.600 -0.001 0.000 1.060 370 K CA 0.449 56.711 56.287 -0.041 0.000 0.767 370 K CB -1.389 31.091 32.500 -0.033 0.000 1.241 370 K HN 0.546 nan 8.250 nan 0.000 0.486 371 R N 0.163 120.673 120.500 0.016 0.000 2.690 371 R HA 0.177 4.093 4.340 -0.706 0.000 0.419 371 R C -0.096 176.274 176.300 0.117 0.000 1.090 371 R CA -0.435 55.714 56.100 0.082 0.000 1.064 371 R CB -0.203 30.177 30.300 0.134 0.000 1.391 371 R HN 0.135 nan 8.270 nan 0.000 0.586 372 F N 1.426 121.372 119.950 -0.008 0.000 2.578 372 F HA 0.249 4.352 4.527 -0.707 0.000 0.376 372 F C 1.499 177.392 175.800 0.156 0.000 1.085 372 F CA 1.737 59.771 58.000 0.057 0.000 1.260 372 F CB 0.732 39.738 39.000 0.009 0.000 1.095 372 F HN 0.598 nan 8.300 nan 0.000 0.573 373 G N 3.141 111.867 108.800 -0.123 0.000 2.168 373 G HA2 -0.300 3.236 3.960 -0.706 0.000 0.263 373 G HA3 -0.300 3.236 3.960 -0.706 0.000 0.263 373 G C 0.276 175.111 174.900 -0.109 0.000 0.977 373 G CA 0.410 45.402 45.100 -0.181 0.000 0.659 373 G HN 1.124 nan 8.290 nan 0.000 0.533 374 S N -0.849 114.819 115.700 -0.054 0.000 2.634 374 S HA 0.543 4.590 4.470 -0.706 0.000 0.261 374 S C 1.395 175.928 174.600 -0.113 0.000 1.271 374 S CA 0.461 58.629 58.200 -0.052 0.000 0.985 374 S CB 1.778 64.975 63.200 -0.005 0.000 0.968 374 S HN 0.420 nan 8.310 nan 0.000 0.568 375 K N 0.397 120.748 120.400 -0.082 0.000 2.057 375 K HA -0.104 3.792 4.320 -0.706 0.000 0.207 375 K C 2.266 178.801 176.600 -0.110 0.000 1.049 375 K CA 1.247 57.478 56.287 -0.095 0.000 0.931 375 K CB -0.921 31.544 32.500 -0.057 0.000 0.714 375 K HN 0.754 nan 8.250 nan 0.000 0.440 376 A N 0.790 123.567 122.820 -0.073 0.000 1.908 376 A HA -0.257 3.640 4.320 -0.706 0.000 0.218 376 A C 2.045 179.463 177.584 -0.277 0.000 1.181 376 A CA 1.911 53.915 52.037 -0.055 0.000 0.627 376 A CB -1.033 18.018 19.000 0.086 0.000 0.818 376 A HN 0.644 nan 8.150 nan 0.000 0.445 377 H N -1.441 117.212 119.070 -0.696 0.000 2.290 377 H HA -0.143 3.989 4.556 -0.706 0.000 0.298 377 H C 2.057 176.996 175.328 -0.650 0.000 1.087 377 H CA 1.630 56.940 56.048 -1.230 0.000 1.291 377 H CB -0.057 29.150 29.762 -0.925 0.000 1.369 377 H HN 0.342 nan 8.280 nan 0.000 0.492 378 M N 0.803 120.143 119.600 -0.434 0.000 2.132 378 M HA -0.129 3.928 4.480 -0.706 0.000 0.263 378 M C 1.722 177.884 176.300 -0.230 0.000 1.065 378 M CA 1.021 56.091 55.300 -0.383 0.000 1.122 378 M CB -0.832 31.585 32.600 -0.304 0.000 1.365 378 M HN 0.303 nan 8.290 nan 0.000 0.411 379 D N 0.126 120.424 120.400 -0.170 0.000 2.116 379 D HA -0.198 4.019 4.640 -0.706 0.000 0.193 379 D C 2.113 178.374 176.300 -0.066 0.000 0.998 379 D CA 1.399 55.342 54.000 -0.095 0.000 0.836 379 D CB -0.297 40.468 40.800 -0.058 0.000 0.951 379 D HN 0.154 nan 8.370 nan 0.000 0.449 380 R N 0.607 121.066 120.500 -0.069 0.000 2.075 380 R HA 0.007 3.924 4.340 -0.706 0.000 0.232 380 R C 2.325 178.626 176.300 0.001 0.000 1.126 380 R CA 0.889 57.000 56.100 0.018 0.000 0.963 380 R CB -0.776 29.603 30.300 0.131 0.000 0.858 380 R HN 0.206 nan 8.270 nan 0.000 0.435 381 L N 0.218 121.406 121.223 -0.058 0.000 2.012 381 L HA -0.169 3.747 4.340 -0.706 0.000 0.210 381 L C 2.445 179.281 176.870 -0.056 0.000 1.073 381 L CA 1.882 56.685 54.840 -0.061 0.000 0.748 381 L CB -0.606 41.373 42.059 -0.133 0.000 0.891 381 L HN 0.276 nan 8.230 nan 0.000 0.431 382 E N 0.674 120.831 120.200 -0.072 0.000 2.051 382 E HA -0.286 3.641 4.350 -0.706 0.000 0.192 382 E C 1.986 178.576 176.600 -0.017 0.000 0.991 382 E CA 1.742 58.111 56.400 -0.052 0.000 0.799 382 E CB -0.097 29.564 29.700 -0.064 0.000 0.748 382 E HN 0.418 nan 8.360 nan 0.000 0.449 383 E N -0.476 119.719 120.200 -0.008 0.000 2.058 383 E HA -0.188 3.738 4.350 -0.706 0.000 0.194 383 E C 2.010 178.625 176.600 0.026 0.000 0.997 383 E CA 1.770 58.180 56.400 0.017 0.000 0.801 383 E CB -0.041 29.678 29.700 0.033 0.000 0.746 383 E HN 0.227 nan 8.360 nan 0.000 0.450 384 V N 1.272 121.187 119.914 0.001 0.000 2.358 384 V HA -0.236 3.460 4.120 -0.706 0.000 0.246 384 V C 2.299 178.370 176.094 -0.039 0.000 1.047 384 V CA 1.985 64.247 62.300 -0.063 0.000 1.035 384 V CB -0.889 30.803 31.823 -0.218 0.000 0.658 384 V HN 0.387 nan 8.190 nan 0.000 0.452 385 N N 0.486 119.204 118.700 0.029 0.000 2.061 385 N HA -0.225 4.091 4.740 -0.706 0.000 0.193 385 N C 1.810 177.433 175.510 0.187 0.000 1.030 385 N CA 1.695 54.852 53.050 0.179 0.000 0.856 385 N CB -0.164 38.365 38.487 0.070 0.000 1.023 385 N HN 0.394 nan 8.380 nan 0.000 0.424 386 K N -0.018 120.433 120.400 0.085 0.000 2.148 386 K HA -0.146 3.750 4.320 -0.706 0.000 0.204 386 K C 1.856 178.504 176.600 0.081 0.000 1.050 386 K CA 1.010 57.341 56.287 0.074 0.000 0.942 386 K CB -0.096 32.426 32.500 0.038 0.000 0.724 386 K HN 0.451 nan 8.250 nan 0.000 0.446 387 E N 1.087 121.331 120.200 0.073 0.000 2.072 387 E HA -0.112 3.814 4.350 -0.706 0.000 0.190 387 E C 1.993 178.632 176.600 0.065 0.000 0.982 387 E CA 0.578 57.022 56.400 0.074 0.000 0.803 387 E CB 0.080 29.840 29.700 0.100 0.000 0.755 387 E HN 0.194 nan 8.360 nan 0.000 0.453 388 I N 0.848 121.441 120.570 0.037 0.000 2.179 388 I HA -0.240 3.507 4.170 -0.706 0.000 0.242 388 I C 2.490 178.604 176.117 -0.004 0.000 1.088 388 I CA 1.173 62.430 61.300 -0.072 0.000 1.357 388 I CB -0.262 37.493 38.000 -0.408 0.000 1.051 388 I HN 0.124 nan 8.210 nan 0.000 0.409 389 E N 0.626 120.928 120.200 0.171 0.000 2.086 389 E HA -0.269 3.657 4.350 -0.706 0.000 0.200 389 E C 2.290 178.950 176.600 0.099 0.000 1.012 389 E CA 2.056 58.582 56.400 0.210 0.000 0.812 389 E CB -0.162 29.660 29.700 0.203 0.000 0.743 389 E HN 0.332 nan 8.360 nan 0.000 0.453 390 S N -1.814 113.929 115.700 0.072 0.000 2.371 390 S HA -0.062 3.984 4.470 -0.706 0.000 0.221 390 S C 1.890 176.509 174.600 0.031 0.000 1.036 390 S CA 1.614 59.842 58.200 0.046 0.000 0.965 390 S CB -0.304 62.921 63.200 0.042 0.000 0.845 390 S HN 0.488 nan 8.310 nan 0.000 0.475 391 T N -2.413 112.157 114.554 0.026 0.000 3.054 391 T HA 0.356 4.282 4.350 -0.706 0.000 0.255 391 T C 0.716 175.413 174.700 -0.005 0.000 1.035 391 T CA 0.849 62.956 62.100 0.012 0.000 0.941 391 T CB -0.009 68.869 68.868 0.017 0.000 1.026 391 T HN 0.317 nan 8.240 nan 0.000 0.533 392 S N -0.490 115.202 115.700 -0.014 0.000 2.981 392 S HA -0.169 3.877 4.470 -0.706 0.000 0.274 392 S C 0.370 174.934 174.600 -0.060 0.000 1.297 392 S CA 1.502 59.673 58.200 -0.047 0.000 1.266 392 S CB -2.198 60.981 63.200 -0.035 0.000 1.542 392 S HN 0.984 nan 8.310 nan 0.000 0.674 393 T N -0.656 113.886 114.554 -0.020 0.000 2.645 393 T HA 0.686 4.612 4.350 -0.706 0.000 0.300 393 T C -2.003 172.777 174.700 0.133 0.000 1.210 393 T CA -0.050 62.057 62.100 0.011 0.000 1.034 393 T CB 1.435 70.265 68.868 -0.063 0.000 1.537 393 T HN 0.698 nan 8.240 nan 0.000 0.492 394 Y N -0.569 119.682 120.300 -0.081 0.000 2.670 394 Y HA 0.795 4.922 4.550 -0.704 0.000 0.334 394 Y C -1.627 174.256 175.900 -0.028 0.000 1.185 394 Y CA -1.182 56.893 58.100 -0.041 0.000 1.053 394 Y CB 0.922 39.368 38.460 -0.023 0.000 1.298 394 Y HN 0.396 nan 8.280 nan 0.000 0.459 395 Q N 2.266 122.059 119.800 -0.012 0.000 2.333 395 Q HA 0.487 4.404 4.340 -0.706 0.000 0.267 395 Q C -1.000 175.003 176.000 0.005 0.000 1.012 395 Q CA -0.784 54.970 55.803 -0.082 0.000 0.824 395 Q CB 2.936 31.672 28.738 -0.004 0.000 1.290 395 Q HN 0.831 nan 8.270 nan 0.000 0.449 396 L N 2.279 123.468 121.223 -0.057 0.000 2.397 396 L HA 0.205 4.122 4.340 -0.706 0.000 0.271 396 L C 0.841 177.729 176.870 0.029 0.000 1.148 396 L CA -0.414 54.446 54.840 0.032 0.000 0.825 396 L CB 0.249 42.302 42.059 -0.009 0.000 1.117 396 L HN 0.206 nan 8.230 nan 0.000 0.456 397 K N 1.701 122.122 120.400 0.035 0.000 2.276 397 K HA 0.003 3.899 4.320 -0.706 0.000 0.259 397 K C 0.463 177.045 176.600 -0.030 0.000 1.001 397 K CA -0.261 56.027 56.287 0.002 0.000 0.927 397 K CB 0.602 33.096 32.500 -0.009 0.000 0.969 397 K HN 0.467 nan 8.250 nan 0.000 0.490 398 D N 0.777 121.163 120.400 -0.024 0.000 2.123 398 D HA -0.152 4.064 4.640 -0.706 0.000 0.196 398 D C 1.707 177.988 176.300 -0.033 0.000 0.992 398 D CA 2.039 56.019 54.000 -0.033 0.000 0.833 398 D CB -0.277 40.512 40.800 -0.019 0.000 0.954 398 D HN 0.724 nan 8.370 nan 0.000 0.455 399 T N -0.949 113.585 114.554 -0.032 0.000 2.788 399 T HA -0.151 3.775 4.350 -0.706 0.000 0.268 399 T C 1.793 176.438 174.700 -0.092 0.000 1.044 399 T CA 1.175 63.266 62.100 -0.015 0.000 1.139 399 T CB -0.391 68.492 68.868 0.024 0.000 0.867 399 T HN 0.236 nan 8.240 nan 0.000 0.454 400 E N 0.833 120.884 120.200 -0.247 0.000 2.072 400 E HA 0.023 3.949 4.350 -0.706 0.000 0.191 400 E C 2.113 178.775 176.600 0.104 0.000 0.985 400 E CA 0.850 57.121 56.400 -0.215 0.000 0.801 400 E CB -0.289 29.331 29.700 -0.132 0.000 0.750 400 E HN 0.323 nan 8.360 nan 0.000 0.452 401 L N 1.109 122.328 121.223 -0.007 0.000 2.017 401 L HA -0.165 3.751 4.340 -0.706 0.000 0.208 401 L C 2.077 178.924 176.870 -0.038 0.000 1.073 401 L CA 1.534 56.324 54.840 -0.082 0.000 0.745 401 L CB -0.167 41.799 42.059 -0.155 0.000 0.894 401 L HN 0.104 nan 8.230 nan 0.000 0.432 402 I N -1.670 118.906 120.570 0.010 0.000 2.179 402 I HA -0.342 3.404 4.170 -0.706 0.000 0.242 402 I C 2.410 178.629 176.117 0.170 0.000 1.088 402 I CA 1.772 63.100 61.300 0.046 0.000 1.357 402 I CB -0.556 37.470 38.000 0.043 0.000 1.051 402 I HN 0.360 nan 8.210 nan 0.000 0.409 403 Y N 1.821 122.205 120.300 0.141 0.000 2.128 403 Y HA -0.225 3.901 4.550 -0.707 0.000 0.284 403 Y C 2.392 178.496 175.900 0.340 0.000 1.154 403 Y CA 1.709 59.979 58.100 0.283 0.000 1.149 403 Y CB -0.831 37.793 38.460 0.273 0.000 0.976 403 Y HN 0.090 nan 8.280 nan 0.000 0.505 404 G N -0.108 108.924 108.800 0.386 0.000 2.446 404 G HA2 -0.295 3.241 3.960 -0.706 0.000 0.217 404 G HA3 -0.295 3.241 3.960 -0.706 0.000 0.217 404 G C 1.807 176.700 174.900 -0.012 0.000 1.168 404 G CA 1.161 46.378 45.100 0.196 0.000 0.771 404 G HN 0.630 nan 8.290 nan 0.000 0.551 405 A N 0.585 123.379 122.820 -0.043 0.000 1.930 405 A HA 0.047 3.943 4.320 -0.706 0.000 0.217 405 A C 2.303 179.931 177.584 0.072 0.000 1.175 405 A CA 1.866 53.858 52.037 -0.074 0.000 0.627 405 A CB -0.306 18.649 19.000 -0.075 0.000 0.815 405 A HN 0.373 nan 8.150 nan 0.000 0.443 406 K N -1.385 119.102 120.400 0.146 0.000 2.148 406 K HA -0.148 3.748 4.320 -0.706 0.000 0.204 406 K C 1.867 178.555 176.600 0.146 0.000 1.050 406 K CA 1.623 58.077 56.287 0.278 0.000 0.942 406 K CB -0.253 32.441 32.500 0.322 0.000 0.724 406 K HN 0.643 nan 8.250 nan 0.000 0.446 407 H N -0.163 118.846 119.070 -0.101 0.000 2.436 407 H HA 0.080 4.212 4.556 -0.707 0.000 0.294 407 H C 1.867 177.082 175.328 -0.188 0.000 1.048 407 H CA 1.061 56.937 56.048 -0.288 0.000 1.353 407 H CB 0.052 29.541 29.762 -0.454 0.000 1.414 407 H HN 0.223 nan 8.280 nan 0.000 0.536 408 A N 0.345 123.116 122.820 -0.082 0.000 1.933 408 A HA -0.209 3.687 4.320 -0.706 0.000 0.218 408 A C 2.004 179.649 177.584 0.103 0.000 1.175 408 A CA 1.500 53.403 52.037 -0.223 0.000 0.628 408 A CB -0.863 17.653 19.000 -0.807 0.000 0.814 408 A HN 0.605 nan 8.150 nan 0.000 0.444 409 W N 0.723 122.046 121.300 0.038 0.000 2.407 409 W HA -0.068 4.170 4.660 -0.703 0.000 0.305 409 W C 2.325 178.795 176.519 -0.082 0.000 1.196 409 W CA 1.307 58.687 57.345 0.057 0.000 1.311 409 W CB -0.782 28.706 29.460 0.046 0.000 1.135 409 W HN 0.346 nan 8.180 nan 0.000 0.514 410 R N 0.272 120.659 120.500 -0.188 0.000 2.119 410 R HA -0.227 3.689 4.340 -0.706 0.000 0.246 410 R C 1.551 177.668 176.300 -0.306 0.000 1.146 410 R CA 2.001 57.747 56.100 -0.589 0.000 0.962 410 R CB -0.541 29.003 30.300 -1.259 0.000 0.863 410 R HN 0.111 nan 8.270 nan 0.000 0.442 411 N N -0.026 118.569 118.700 -0.174 0.000 2.461 411 N HA 0.021 4.337 4.740 -0.706 0.000 0.188 411 N C -0.458 175.022 175.510 -0.050 0.000 1.134 411 N CA 0.619 53.605 53.050 -0.108 0.000 0.878 411 N CB 0.501 38.942 38.487 -0.076 0.000 0.972 411 N HN 0.164 nan 8.380 nan 0.000 0.456 412 A N 0.490 123.327 122.820 0.029 0.000 2.655 412 A HA 0.203 4.099 4.320 -0.706 0.000 0.297 412 A C 1.258 178.839 177.584 -0.004 0.000 1.461 412 A CA -0.207 51.855 52.037 0.042 0.000 1.146 412 A CB -0.190 18.893 19.000 0.138 0.000 1.108 412 A HN 0.116 nan 8.150 nan 0.000 0.550 413 S N 1.729 117.388 115.700 -0.068 0.000 2.419 413 S HA -0.152 3.894 4.470 -0.706 0.000 0.235 413 S C 1.794 176.362 174.600 -0.055 0.000 1.019 413 S CA 1.431 59.590 58.200 -0.068 0.000 0.982 413 S CB -0.143 62.989 63.200 -0.113 0.000 0.789 413 S HN 0.801 nan 8.310 nan 0.000 0.490 414 R N -0.541 119.894 120.500 -0.108 0.000 2.317 414 R HA 0.200 4.116 4.340 -0.706 0.000 0.208 414 R C 0.141 176.455 176.300 0.024 0.000 0.914 414 R CA -0.086 55.965 56.100 -0.081 0.000 1.060 414 R CB 0.060 30.115 30.300 -0.408 0.000 1.015 414 R HN 0.262 nan 8.270 nan 0.000 0.498 415 C N 0.587 119.889 119.300 0.003 0.000 2.255 415 C HA 0.231 4.268 4.460 -0.706 0.000 0.326 415 C C 1.892 176.849 174.990 -0.055 0.000 1.258 415 C CA -0.667 58.379 59.018 0.046 0.000 1.676 415 C CB 0.610 28.451 27.740 0.169 0.000 2.314 415 C HN 0.260 nan 8.230 nan 0.000 0.509 416 V N 5.860 125.697 119.914 -0.129 0.000 3.217 416 V HA 0.166 3.862 4.120 -0.706 0.000 0.264 416 V C 1.834 177.955 176.094 0.046 0.000 1.135 416 V CA 2.211 64.345 62.300 -0.275 0.000 1.142 416 V CB -0.145 31.539 31.823 -0.230 0.000 0.754 416 V HN 1.075 nan 8.190 nan 0.000 0.484 417 G N -0.777 108.085 108.800 0.104 0.000 3.448 417 G HA2 0.048 3.585 3.960 -0.706 0.000 0.261 417 G HA3 0.048 3.585 3.960 -0.706 0.000 0.261 417 G C 1.235 176.170 174.900 0.057 0.000 1.173 417 G CA -0.344 44.829 45.100 0.123 0.000 0.835 417 G HN 0.426 nan 8.290 nan 0.000 0.534 418 R N -0.277 120.192 120.500 -0.052 0.000 2.307 418 R HA 0.185 4.102 4.340 -0.706 0.000 0.199 418 R C 2.037 177.821 176.300 -0.860 0.000 1.000 418 R CA -0.042 55.744 56.100 -0.523 0.000 1.023 418 R CB -0.119 29.985 30.300 -0.327 0.000 0.908 418 R HN 0.444 nan 8.270 nan 0.000 0.473 419 I N 1.076 121.262 120.570 -0.641 0.000 2.399 419 I HA -0.293 3.454 4.170 -0.706 0.000 0.254 419 I C 1.355 177.287 176.117 -0.309 0.000 1.146 419 I CA 1.423 62.463 61.300 -0.433 0.000 1.412 419 I CB 0.170 38.121 38.000 -0.081 0.000 1.076 419 I HN 0.191 nan 8.210 nan 0.000 0.432 420 Q N 0.559 120.147 119.800 -0.353 0.000 2.415 420 Q HA -0.108 3.808 4.340 -0.706 0.000 0.206 420 Q C 1.551 177.114 176.000 -0.728 0.000 0.946 420 Q CA 0.423 56.027 55.803 -0.330 0.000 0.951 420 Q CB -0.198 28.532 28.738 -0.013 0.000 1.026 420 Q HN 0.800 nan 8.270 nan 0.000 0.510 421 W N 0.878 121.536 121.300 -1.070 0.000 2.342 421 W HA -0.167 4.069 4.660 -0.708 0.000 0.297 421 W C 1.260 177.480 176.519 -0.498 0.000 1.213 421 W CA 1.459 58.018 57.345 -1.311 0.000 1.251 421 W CB -1.136 27.677 29.460 -1.079 0.000 1.136 421 W HN 0.148 nan 8.180 nan 0.000 0.526 422 S N 0.512 115.371 115.700 -1.402 0.000 2.562 422 S HA 0.019 4.065 4.470 -0.706 0.000 0.221 422 S C 1.350 175.660 174.600 -0.483 0.000 0.975 422 S CA 0.377 57.840 58.200 -1.229 0.000 0.918 422 S CB -0.254 62.068 63.200 -1.464 0.000 0.772 422 S HN 0.059 nan 8.310 nan 0.000 0.531 423 K N 0.961 121.179 120.400 -0.303 0.000 2.374 423 K HA 0.331 4.227 4.320 -0.706 0.000 0.196 423 K C 0.213 176.847 176.600 0.057 0.000 1.023 423 K CA -0.339 55.896 56.287 -0.087 0.000 1.103 423 K CB -0.501 31.984 32.500 -0.025 0.000 0.848 423 K HN 0.386 nan 8.250 nan 0.000 0.528 424 L N 2.472 123.786 121.223 0.150 0.000 2.578 424 L HA -0.080 3.836 4.340 -0.706 0.000 0.279 424 L C 0.141 177.007 176.870 -0.007 0.000 1.227 424 L CA 0.509 55.460 54.840 0.186 0.000 0.900 424 L CB 0.306 42.546 42.059 0.302 0.000 1.144 424 L HN 0.044 nan 8.230 nan 0.000 0.496 425 Q N 3.685 123.425 119.800 -0.101 0.000 2.294 425 Q HA 0.429 4.345 4.340 -0.706 0.000 0.257 425 Q C -1.372 174.293 176.000 -0.557 0.000 0.955 425 Q CA -0.203 55.378 55.803 -0.370 0.000 0.936 425 Q CB 1.071 29.506 28.738 -0.506 0.000 1.188 425 Q HN 0.518 nan 8.270 nan 0.000 0.420 426 V N 5.976 125.582 119.914 -0.514 0.000 2.370 426 V HA 0.420 4.116 4.120 -0.706 0.000 0.279 426 V C -0.738 175.041 176.094 -0.525 0.000 1.029 426 V CA -0.552 61.500 62.300 -0.412 0.000 0.870 426 V CB 0.498 32.194 31.823 -0.212 0.000 0.984 426 V HN 0.635 nan 8.190 nan 0.000 0.451 427 F N 2.632 122.466 119.950 -0.193 0.000 2.385 427 F HA 0.372 4.479 4.527 -0.700 0.000 0.360 427 F C 0.480 176.126 175.800 -0.258 0.000 1.122 427 F CA -1.225 56.657 58.000 -0.197 0.000 1.090 427 F CB 1.086 39.983 39.000 -0.171 0.000 1.150 427 F HN 0.426 nan 8.300 nan 0.000 0.472 428 D N 3.315 123.689 120.400 -0.043 0.000 2.374 428 D HA 0.315 4.531 4.640 -0.706 0.000 0.240 428 D C 0.305 176.433 176.300 -0.287 0.000 1.229 428 D CA 0.131 54.028 54.000 -0.172 0.000 0.895 428 D CB 1.012 41.753 40.800 -0.099 0.000 1.046 428 D HN 0.603 nan 8.370 nan 0.000 0.498 429 A N 4.580 127.041 122.820 -0.598 0.000 2.577 429 A HA 0.137 4.033 4.320 -0.706 0.000 0.280 429 A C 1.635 178.911 177.584 -0.513 0.000 1.331 429 A CA -0.359 51.067 52.037 -1.018 0.000 0.935 429 A CB -0.069 17.805 19.000 -1.878 0.000 1.082 429 A HN 0.525 nan 8.150 nan 0.000 0.525 430 R N 0.440 120.770 120.500 -0.283 0.000 2.316 430 R HA -0.073 3.844 4.340 -0.706 0.000 0.202 430 R C 0.602 176.852 176.300 -0.084 0.000 1.029 430 R CA 1.142 57.147 56.100 -0.159 0.000 1.018 430 R CB 0.057 30.309 30.300 -0.080 0.000 0.888 430 R HN 0.673 nan 8.270 nan 0.000 0.471 431 D N -0.845 119.536 120.400 -0.033 0.000 2.339 431 D HA -0.053 4.163 4.640 -0.706 0.000 0.217 431 D C 0.315 176.695 176.300 0.134 0.000 1.050 431 D CA -0.290 53.747 54.000 0.062 0.000 0.856 431 D CB -0.460 40.399 40.800 0.097 0.000 0.922 431 D HN -0.023 nan 8.370 nan 0.000 0.518 432 C N 1.481 120.857 119.300 0.127 0.000 2.637 432 C HA 0.433 4.469 4.460 -0.706 0.000 0.418 432 C C 1.885 177.053 174.990 0.297 0.000 1.319 432 C CA 0.795 59.976 59.018 0.271 0.000 1.949 432 C CB -0.081 27.861 27.740 0.336 0.000 2.639 432 C HN 0.567 nan 8.230 nan 0.000 0.594 433 T N 0.544 115.306 114.554 0.346 0.000 2.969 433 T HA 0.257 4.183 4.350 -0.706 0.000 0.258 433 T C 0.383 175.266 174.700 0.305 0.000 0.962 433 T CA 0.634 62.952 62.100 0.362 0.000 0.903 433 T CB -0.094 68.910 68.868 0.226 0.000 1.177 433 T HN 0.868 nan 8.240 nan 0.000 0.511 434 T N -1.754 112.965 114.554 0.275 0.000 2.887 434 T HA 0.811 4.737 4.350 -0.706 0.000 0.292 434 T C 1.371 176.180 174.700 0.181 0.000 1.087 434 T CA -0.237 61.976 62.100 0.189 0.000 1.009 434 T CB 1.488 70.471 68.868 0.191 0.000 1.203 434 T HN 0.083 nan 8.240 nan 0.000 0.518 435 A N -0.186 122.725 122.820 0.152 0.000 1.969 435 A HA -0.041 3.855 4.320 -0.706 0.000 0.218 435 A C 2.136 179.723 177.584 0.006 0.000 1.169 435 A CA 1.169 53.279 52.037 0.121 0.000 0.635 435 A CB -1.303 17.842 19.000 0.241 0.000 0.810 435 A HN 0.980 nan 8.150 nan 0.000 0.445 436 H N -0.746 118.415 119.070 0.152 0.000 2.389 436 H HA -0.099 5.010 4.556 0.921 0.000 0.299 436 H C 2.470 177.808 175.328 0.016 0.000 1.081 436 H CA 1.351 57.435 56.048 0.060 0.000 1.345 436 H CB -0.291 29.607 29.762 0.226 0.000 1.393 436 H HN 0.533 nan 8.280 nan 0.000 0.520 437 G N 0.672 109.596 108.800 0.206 0.000 2.418 437 G HA2 -0.241 3.295 3.960 -0.706 0.000 0.217 437 G HA3 -0.241 3.295 3.960 -0.706 0.000 0.217 437 G C 1.845 176.905 174.900 0.266 0.000 1.158 437 G CA 0.710 45.937 45.100 0.212 0.000 0.771 437 G HN 0.259 nan 8.290 nan 0.000 0.545 438 M N -0.492 119.217 119.600 0.181 0.000 2.108 438 M HA 0.001 4.057 4.480 -0.706 0.000 0.261 438 M C 2.324 178.672 176.300 0.080 0.000 1.066 438 M CA 1.302 56.664 55.300 0.103 0.000 1.107 438 M CB -0.424 32.024 32.600 -0.253 0.000 1.356 438 M HN 0.261 nan 8.290 nan 0.000 0.406 439 F N 1.484 121.221 119.950 -0.356 0.000 2.126 439 F HA -0.232 3.960 4.527 -0.559 0.000 0.299 439 F C 2.138 177.838 175.800 -0.166 0.000 1.096 439 F CA 1.838 59.568 58.000 -0.450 0.000 1.255 439 F CB -0.748 37.593 39.000 -1.098 0.000 0.997 439 F HN 0.247 nan 8.300 nan 0.000 0.479 440 N N -0.980 117.560 118.700 -0.268 0.000 2.084 440 N HA -0.269 4.047 4.740 -0.706 0.000 0.190 440 N C 2.056 177.417 175.510 -0.249 0.000 1.030 440 N CA 1.522 54.378 53.050 -0.323 0.000 0.849 440 N CB -0.469 37.902 38.487 -0.192 0.000 1.012 440 N HN 0.332 nan 8.380 nan 0.000 0.423 441 Y N 1.398 121.652 120.300 -0.077 0.000 2.165 441 Y HA -0.094 4.028 4.550 -0.713 0.000 0.286 441 Y C 2.289 178.150 175.900 -0.064 0.000 1.155 441 Y CA 1.155 59.224 58.100 -0.052 0.000 1.164 441 Y CB -0.194 38.325 38.460 0.098 0.000 0.978 441 Y HN 0.117 nan 8.280 nan 0.000 0.513 442 I N -1.845 118.803 120.570 0.130 0.000 2.353 442 I HA -0.309 3.437 4.170 -0.706 0.000 0.248 442 I C 2.231 178.309 176.117 -0.064 0.000 1.119 442 I CA 0.732 62.063 61.300 0.051 0.000 1.417 442 I CB -0.419 37.613 38.000 0.053 0.000 1.078 442 I HN 0.243 nan 8.210 nan 0.000 0.421 443 C N 0.708 119.864 119.300 -0.240 0.000 2.425 443 C HA -0.127 3.910 4.460 -0.706 0.000 0.277 443 C C 2.597 177.508 174.990 -0.132 0.000 1.280 443 C CA 0.801 59.673 59.018 -0.244 0.000 1.744 443 C CB -1.384 26.095 27.740 -0.435 0.000 1.989 443 C HN 0.545 nan 8.230 nan 0.000 0.491 444 N N -0.096 118.508 118.700 -0.161 0.000 2.188 444 N HA -0.121 4.195 4.740 -0.706 0.000 0.184 444 N C 1.443 176.874 175.510 -0.131 0.000 1.018 444 N CA 1.336 54.279 53.050 -0.179 0.000 0.858 444 N CB -0.760 37.549 38.487 -0.296 0.000 0.989 444 N HN 0.755 nan 8.380 nan 0.000 0.426 445 H N 0.302 119.256 119.070 -0.194 0.000 2.293 445 H HA -0.025 4.108 4.556 -0.706 0.000 0.300 445 H C 1.846 177.227 175.328 0.087 0.000 1.082 445 H CA 1.767 57.793 56.048 -0.037 0.000 1.308 445 H CB 0.033 29.813 29.762 0.031 0.000 1.375 445 H HN -0.104 nan 8.280 nan 0.000 0.495 446 V N 1.031 121.116 119.914 0.285 0.000 2.324 446 V HA -0.287 3.409 4.120 -0.706 0.000 0.250 446 V C 2.498 178.677 176.094 0.140 0.000 1.060 446 V CA 2.334 64.752 62.300 0.197 0.000 1.042 446 V CB -0.561 31.304 31.823 0.070 0.000 0.650 446 V HN 0.437 nan 8.190 nan 0.000 0.450 447 K N -1.029 119.423 120.400 0.087 0.000 2.057 447 K HA -0.218 3.678 4.320 -0.706 0.000 0.206 447 K C 2.279 178.931 176.600 0.086 0.000 1.050 447 K CA 1.776 58.098 56.287 0.059 0.000 0.935 447 K CB -0.314 32.197 32.500 0.018 0.000 0.715 447 K HN 0.534 nan 8.250 nan 0.000 0.439 448 Y N 0.751 121.057 120.300 0.010 0.000 2.145 448 Y HA -0.200 3.925 4.550 -0.708 0.000 0.286 448 Y C 1.950 177.900 175.900 0.084 0.000 1.145 448 Y CA 1.800 59.932 58.100 0.053 0.000 1.148 448 Y CB -0.352 38.170 38.460 0.104 0.000 0.981 448 Y HN 0.144 nan 8.280 nan 0.000 0.507 449 A N -0.758 122.179 122.820 0.195 0.000 1.897 449 A HA -0.119 3.777 4.320 -0.706 0.000 0.215 449 A C 2.199 179.818 177.584 0.059 0.000 1.181 449 A CA 2.047 54.164 52.037 0.132 0.000 0.620 449 A CB -1.266 17.878 19.000 0.239 0.000 0.821 449 A HN 0.503 nan 8.150 nan 0.000 0.443 450 T N -0.124 114.476 114.554 0.077 0.000 2.708 450 T HA -0.129 3.797 4.350 -0.706 0.000 0.266 450 T C 1.108 175.809 174.700 0.001 0.000 1.037 450 T CA 1.433 63.571 62.100 0.063 0.000 1.146 450 T CB -0.419 68.490 68.868 0.068 0.000 0.865 450 T HN 0.646 nan 8.240 nan 0.000 0.435 451 N N 1.080 119.753 118.700 -0.045 0.000 2.727 451 N HA -0.230 4.086 4.740 -0.706 0.000 0.249 451 N C -0.311 175.167 175.510 -0.052 0.000 1.048 451 N CA 0.878 53.875 53.050 -0.087 0.000 0.714 451 N CB -1.582 36.807 38.487 -0.164 0.000 0.959 451 N HN 0.635 nan 8.380 nan 0.000 0.544 452 K N -2.823 117.560 120.400 -0.028 0.000 3.160 452 K HA -0.213 3.683 4.320 -0.706 0.000 0.280 452 K C 1.015 177.599 176.600 -0.026 0.000 1.154 452 K CA 1.025 57.298 56.287 -0.024 0.000 0.822 452 K CB -1.803 30.680 32.500 -0.028 0.000 1.239 452 K HN 0.980 nan 8.250 nan 0.000 0.489 453 G N 0.289 109.080 108.800 -0.015 0.000 2.238 453 G HA2 -0.284 3.253 3.960 -0.706 0.000 0.217 453 G HA3 -0.284 3.253 3.960 -0.706 0.000 0.217 453 G C -0.149 174.739 174.900 -0.021 0.000 0.996 453 G CA 0.030 45.123 45.100 -0.012 0.000 0.632 453 G HN 0.308 nan 8.290 nan 0.000 0.503 454 N N 1.343 120.016 118.700 -0.045 0.000 3.034 454 N HA 0.488 4.805 4.740 -0.706 0.000 0.265 454 N C 0.280 175.749 175.510 -0.069 0.000 1.166 454 N CA -0.391 52.612 53.050 -0.077 0.000 1.081 454 N CB -0.188 38.248 38.487 -0.084 0.000 1.378 454 N HN 0.223 nan 8.380 nan 0.000 0.520 455 L N 2.068 123.272 121.223 -0.031 0.000 2.461 455 L HA 0.256 4.172 4.340 -0.706 0.000 0.272 455 L C 0.836 177.794 176.870 0.147 0.000 1.197 455 L CA 0.664 55.559 54.840 0.092 0.000 0.836 455 L CB 0.374 42.585 42.059 0.253 0.000 1.105 455 L HN 0.320 nan 8.230 nan 0.000 0.477 456 R N 0.796 121.402 120.500 0.176 0.000 2.575 456 R HA 0.437 4.353 4.340 -0.706 0.000 0.293 456 R C -0.589 175.874 176.300 0.271 0.000 0.983 456 R CA -0.695 55.531 56.100 0.211 0.000 0.887 456 R CB 1.811 32.083 30.300 -0.045 0.000 1.184 456 R HN 0.743 nan 8.270 nan 0.000 0.445 457 S N 1.431 117.307 115.700 0.294 0.000 2.560 457 S HA 0.556 4.602 4.470 -0.706 0.000 0.284 457 S C 0.009 174.658 174.600 0.081 0.000 1.327 457 S CA -0.427 57.836 58.200 0.105 0.000 1.055 457 S CB 1.329 64.564 63.200 0.059 0.000 0.868 457 S HN 0.731 nan 8.310 nan 0.000 0.506 458 A N 2.542 125.355 122.820 -0.012 0.000 2.604 458 A HA 0.783 4.679 4.320 -0.706 0.000 0.295 458 A C -1.155 176.430 177.584 0.003 0.000 1.067 458 A CA -0.841 51.125 52.037 -0.119 0.000 0.683 458 A CB 1.188 20.052 19.000 -0.227 0.000 1.281 458 A HN 1.226 nan 8.150 nan 0.000 0.407 459 I N 0.438 121.006 120.570 -0.003 0.000 2.686 459 I HA 0.697 4.443 4.170 -0.706 0.000 0.295 459 I C -1.041 175.177 176.117 0.168 0.000 1.114 459 I CA -0.126 61.292 61.300 0.197 0.000 1.038 459 I CB 2.458 40.520 38.000 0.103 0.000 1.238 459 I HN 0.606 nan 8.210 nan 0.000 0.420 460 T N 7.752 122.435 114.554 0.215 0.000 2.792 460 T HA 0.566 4.493 4.350 -0.706 0.000 0.280 460 T C -0.412 174.092 174.700 -0.327 0.000 0.990 460 T CA -0.223 61.853 62.100 -0.039 0.000 0.960 460 T CB 0.965 69.815 68.868 -0.029 0.000 0.939 460 T HN 0.302 nan 8.240 nan 0.000 0.439 461 I N 4.147 124.436 120.570 -0.468 0.000 2.359 461 I HA 0.389 4.135 4.170 -0.706 0.000 0.284 461 I C -0.463 175.323 176.117 -0.552 0.000 1.018 461 I CA -0.661 60.377 61.300 -0.437 0.000 1.173 461 I CB 0.562 38.274 38.000 -0.479 0.000 1.326 461 I HN 0.472 nan 8.210 nan 0.000 0.462 462 F N 6.704 126.547 119.950 -0.179 0.000 2.368 462 F HA 0.405 4.512 4.527 -0.699 0.000 0.308 462 F C -1.816 173.832 175.800 -0.253 0.000 1.198 462 F CA -2.237 55.578 58.000 -0.308 0.000 1.130 462 F CB -0.283 38.549 39.000 -0.280 0.000 1.300 462 F HN 0.225 nan 8.300 nan 0.000 0.537 463 P HA -0.005 nan 4.420 nan 0.000 0.265 463 P C -0.990 176.268 177.300 -0.070 0.000 1.187 463 P CA -0.190 62.755 63.100 -0.258 0.000 0.766 463 P CB 0.226 31.619 31.700 -0.511 0.000 0.820 464 Q N 2.879 122.595 119.800 -0.139 0.000 2.454 464 Q HA 0.132 4.048 4.340 -0.706 0.000 0.247 464 Q C 0.164 176.040 176.000 -0.207 0.000 1.028 464 Q CA -0.523 54.984 55.803 -0.493 0.000 0.910 464 Q CB 0.765 28.944 28.738 -0.931 0.000 1.276 464 Q HN 0.337 nan 8.270 nan 0.000 0.489 465 R N 0.444 120.820 120.500 -0.207 0.000 2.679 465 R HA 0.025 3.942 4.340 -0.706 0.000 0.268 465 R C 0.083 176.327 176.300 -0.094 0.000 1.044 465 R CA 1.014 57.069 56.100 -0.075 0.000 1.105 465 R CB 0.537 30.790 30.300 -0.078 0.000 0.989 465 R HN 0.980 nan 8.270 nan 0.000 0.447 466 T N -0.684 113.853 114.554 -0.027 0.000 3.479 466 T HA 0.008 3.934 4.350 -0.706 0.000 0.197 466 T C 0.863 175.544 174.700 -0.032 0.000 0.912 466 T CA 0.220 62.290 62.100 -0.050 0.000 1.281 466 T CB -0.301 68.532 68.868 -0.058 0.000 1.588 466 T HN 0.720 nan 8.240 nan 0.000 0.389 467 D N 0.899 121.300 120.400 0.001 0.000 2.349 467 D HA 0.311 4.527 4.640 -0.706 0.000 0.214 467 D C 1.616 177.949 176.300 0.056 0.000 1.063 467 D CA 0.660 54.674 54.000 0.024 0.000 0.847 467 D CB -0.276 40.542 40.800 0.030 0.000 0.933 467 D HN 0.915 nan 8.370 nan 0.000 0.513 468 G N 0.689 109.529 108.800 0.067 0.000 2.199 468 G HA2 -0.285 3.251 3.960 -0.706 0.000 0.254 468 G HA3 -0.285 3.251 3.960 -0.706 0.000 0.254 468 G C 1.029 175.971 174.900 0.070 0.000 0.982 468 G CA 0.243 45.373 45.100 0.051 0.000 0.632 468 G HN 0.316 nan 8.290 nan 0.000 0.529 469 K N 0.133 120.617 120.400 0.141 0.000 2.387 469 K HA 0.266 4.162 4.320 -0.706 0.000 0.203 469 K C 0.249 176.788 176.600 -0.101 0.000 1.030 469 K CA 0.152 56.475 56.287 0.060 0.000 1.099 469 K CB 0.347 32.878 32.500 0.052 0.000 0.863 469 K HN 0.579 nan 8.250 nan 0.000 0.529 470 H N -0.169 118.902 119.070 0.001 0.000 2.676 470 H HA 0.232 4.364 4.556 -0.707 0.000 0.238 470 H C -1.028 174.296 175.328 -0.006 0.000 1.276 470 H CA -0.922 55.115 56.048 -0.018 0.000 0.983 470 H CB 0.242 30.010 29.762 0.010 0.000 2.000 470 H HN -0.094 nan 8.280 nan 0.000 0.584 471 D N 0.519 120.958 120.400 0.066 0.000 2.389 471 D HA 0.067 4.283 4.640 -0.706 0.000 0.247 471 D C -0.003 176.320 176.300 0.037 0.000 1.128 471 D CA 0.144 54.205 54.000 0.103 0.000 0.884 471 D CB 0.517 41.352 40.800 0.058 0.000 1.194 471 D HN 0.097 nan 8.370 nan 0.000 0.441 472 F N 2.463 122.431 119.950 0.031 0.000 2.396 472 F HA 0.398 4.497 4.527 -0.713 0.000 0.343 472 F C 1.040 176.849 175.800 0.015 0.000 1.104 472 F CA -0.184 57.816 58.000 0.000 0.000 1.161 472 F CB 0.683 39.678 39.000 -0.008 0.000 1.146 472 F HN -0.131 nan 8.300 nan 0.000 0.522 473 R N 1.629 122.223 120.500 0.156 0.000 2.626 473 R HA 0.469 4.385 4.340 -0.706 0.000 0.274 473 R C -1.724 174.695 176.300 0.198 0.000 1.031 473 R CA -0.941 55.257 56.100 0.163 0.000 0.898 473 R CB 1.933 32.324 30.300 0.152 0.000 1.222 473 R HN 0.366 nan 8.270 nan 0.000 0.455 474 V N 3.204 123.217 119.914 0.165 0.000 2.385 474 V HA 0.125 3.821 4.120 -0.706 0.000 0.269 474 V C 0.546 176.810 176.094 0.283 0.000 1.043 474 V CA -0.400 62.009 62.300 0.182 0.000 0.906 474 V CB 0.965 32.837 31.823 0.080 0.000 0.995 474 V HN 0.724 nan 8.190 nan 0.000 0.467 475 W N 2.408 123.756 121.300 0.081 0.000 2.402 475 W HA -0.017 4.235 4.660 -0.681 0.000 0.286 475 W C 1.122 177.673 176.519 0.054 0.000 1.221 475 W CA -0.211 57.268 57.345 0.223 0.000 1.257 475 W CB -0.747 28.995 29.460 0.470 0.000 1.120 475 W HN 0.537 nan 8.180 nan 0.000 0.551 476 N N 0.078 118.788 118.700 0.016 0.000 2.395 476 N HA -0.017 4.299 4.740 -0.706 0.000 0.246 476 N C 1.359 176.674 175.510 -0.326 0.000 1.246 476 N CA 1.004 53.728 53.050 -0.544 0.000 0.879 476 N CB 0.593 38.899 38.487 -0.302 0.000 1.098 476 N HN -0.069 nan 8.380 nan 0.000 0.444 477 S N 0.691 116.168 115.700 -0.372 0.000 2.425 477 S HA 0.012 4.058 4.470 -0.706 0.000 0.225 477 S C 0.307 174.802 174.600 -0.176 0.000 1.024 477 S CA 0.475 58.560 58.200 -0.191 0.000 0.951 477 S CB 0.121 63.254 63.200 -0.111 0.000 0.796 477 S HN 0.647 nan 8.310 nan 0.000 0.498 478 Q N -0.570 119.107 119.800 -0.204 0.000 2.451 478 Q HA 0.538 4.454 4.340 -0.706 0.000 0.281 478 Q C 0.313 176.170 176.000 -0.239 0.000 1.099 478 Q CA -0.590 55.085 55.803 -0.213 0.000 0.806 478 Q CB 1.961 30.604 28.738 -0.158 0.000 1.419 478 Q HN 0.102 nan 8.270 nan 0.000 0.427 479 L N 0.409 121.490 121.223 -0.237 0.000 2.046 479 L HA -0.040 3.876 4.340 -0.706 0.000 0.208 479 L C 0.507 177.231 176.870 -0.243 0.000 1.077 479 L CA 1.345 56.064 54.840 -0.201 0.000 0.747 479 L CB -0.061 41.881 42.059 -0.195 0.000 0.896 479 L HN 0.493 nan 8.230 nan 0.000 0.432 480 I N -0.229 120.114 120.570 -0.377 0.000 2.382 480 I HA 0.347 4.094 4.170 -0.706 0.000 0.286 480 I C -0.161 175.395 176.117 -0.935 0.000 1.002 480 I CA -0.201 60.724 61.300 -0.625 0.000 1.135 480 I CB 1.417 38.984 38.000 -0.721 0.000 1.288 480 I HN 0.065 nan 8.210 nan 0.000 0.448 481 R N 3.885 123.970 120.500 -0.692 0.000 2.734 481 R HA 0.505 4.421 4.340 -0.706 0.000 0.271 481 R C -1.741 174.348 176.300 -0.352 0.000 1.021 481 R CA -1.018 54.747 56.100 -0.559 0.000 0.893 481 R CB 2.366 32.546 30.300 -0.201 0.000 1.244 481 R HN 0.270 nan 8.270 nan 0.000 0.464 482 Y N 0.333 120.659 120.300 0.044 0.000 2.310 482 Y HA 0.487 4.613 4.550 -0.707 0.000 0.326 482 Y C 0.748 176.723 175.900 0.125 0.000 1.151 482 Y CA -0.703 57.484 58.100 0.145 0.000 1.195 482 Y CB 1.300 39.939 38.460 0.297 0.000 1.210 482 Y HN 0.653 nan 8.280 nan 0.000 0.483 483 A N 1.427 124.417 122.820 0.284 0.000 2.366 483 A HA 0.631 4.528 4.320 -0.706 0.000 0.249 483 A C 0.490 177.982 177.584 -0.153 0.000 1.084 483 A CA 0.277 52.324 52.037 0.016 0.000 0.794 483 A CB -0.184 18.818 19.000 0.004 0.000 1.034 483 A HN 0.909 nan 8.150 nan 0.000 0.491 484 G N -0.539 108.059 108.800 -0.336 0.000 2.566 484 G HA2 0.583 4.119 3.960 -0.706 0.000 0.311 484 G HA3 0.583 4.119 3.960 -0.706 0.000 0.311 484 G C -1.541 173.097 174.900 -0.437 0.000 1.322 484 G CA -0.279 44.648 45.100 -0.288 0.000 0.969 484 G HN 0.520 nan 8.290 nan 0.000 0.490 485 Y N 1.747 122.066 120.300 0.032 0.000 2.329 485 Y HA 0.386 4.511 4.550 -0.709 0.000 0.328 485 Y C 0.472 176.370 175.900 -0.003 0.000 0.992 485 Y CA -1.228 56.883 58.100 0.019 0.000 1.151 485 Y CB 1.945 40.412 38.460 0.012 0.000 1.150 485 Y HN 0.154 nan 8.280 nan 0.000 0.450 486 K N 3.759 124.235 120.400 0.126 0.000 2.412 486 K HA 0.151 4.047 4.320 -0.706 0.000 0.281 486 K C -0.158 176.483 176.600 0.068 0.000 1.027 486 K CA -0.038 56.291 56.287 0.072 0.000 0.989 486 K CB 0.668 33.195 32.500 0.045 0.000 0.935 486 K HN 0.726 nan 8.250 nan 0.000 0.475 487 Q N 2.498 122.322 119.800 0.040 0.000 2.248 487 Q HA 0.228 4.144 4.340 -0.706 0.000 0.263 487 Q C -1.584 174.420 176.000 0.006 0.000 1.007 487 Q CA -1.861 53.954 55.803 0.019 0.000 0.877 487 Q CB 0.792 29.536 28.738 0.009 0.000 1.315 487 Q HN 0.230 nan 8.270 nan 0.000 0.454 488 P HA -0.186 nan 4.420 nan 0.000 0.216 488 P C 0.453 177.749 177.300 -0.006 0.000 1.150 488 P CA 1.486 64.581 63.100 -0.008 0.000 0.843 488 P CB 0.157 31.847 31.700 -0.016 0.000 0.787 489 D N -2.155 118.241 120.400 -0.007 0.000 2.319 489 D HA 0.108 4.324 4.640 -0.706 0.000 0.230 489 D C 1.402 177.700 176.300 -0.002 0.000 1.094 489 D CA 0.459 54.455 54.000 -0.006 0.000 0.856 489 D CB -0.757 40.038 40.800 -0.009 0.000 0.915 489 D HN 0.262 nan 8.370 nan 0.000 0.517 490 G N 0.104 108.905 108.800 0.001 0.000 2.268 490 G HA2 -0.311 3.225 3.960 -0.706 0.000 0.240 490 G HA3 -0.311 3.225 3.960 -0.706 0.000 0.240 490 G C 0.556 175.459 174.900 0.006 0.000 1.010 490 G CA 0.442 45.545 45.100 0.004 0.000 0.618 490 G HN 0.815 nan 8.290 nan 0.000 0.516 491 S N -0.286 115.417 115.700 0.004 0.000 2.661 491 S HA 0.703 4.749 4.470 -0.706 0.000 0.265 491 S C 0.030 174.635 174.600 0.007 0.000 1.225 491 S CA 0.582 58.784 58.200 0.003 0.000 0.986 491 S CB 1.764 64.962 63.200 -0.003 0.000 1.008 491 S HN 0.633 nan 8.310 nan 0.000 0.565 492 T N 1.535 116.088 114.554 -0.002 0.000 2.797 492 T HA 0.514 4.440 4.350 -0.706 0.000 0.279 492 T C -0.727 173.966 174.700 -0.013 0.000 0.991 492 T CA -0.491 61.608 62.100 -0.000 0.000 0.979 492 T CB 0.978 69.833 68.868 -0.022 0.000 0.943 492 T HN 0.575 nan 8.240 nan 0.000 0.444 493 L N 3.667 124.914 121.223 0.040 0.000 2.289 493 L HA 0.736 4.652 4.340 -0.706 0.000 0.285 493 L C 0.682 177.581 176.870 0.048 0.000 1.049 493 L CA 1.083 55.949 54.840 0.044 0.000 0.804 493 L CB 0.038 42.153 42.059 0.093 0.000 1.195 493 L HN 0.957 nan 8.230 nan 0.000 0.428 494 G N 3.862 112.599 108.800 -0.104 0.000 2.499 494 G HA2 -0.225 3.311 3.960 -0.706 0.000 0.232 494 G HA3 -0.225 3.311 3.960 -0.706 0.000 0.232 494 G C -0.828 173.760 174.900 -0.520 0.000 1.251 494 G CA 0.010 44.994 45.100 -0.193 0.000 0.917 494 G HN 0.845 nan 8.290 nan 0.000 0.580 495 D N 1.566 121.823 120.400 -0.239 0.000 2.359 495 D HA 0.565 4.781 4.640 -0.706 0.000 0.230 495 D C -1.034 175.236 176.300 -0.050 0.000 1.118 495 D CA -1.997 51.906 54.000 -0.161 0.000 0.844 495 D CB 1.463 42.487 40.800 0.374 0.000 1.059 495 D HN -0.007 nan 8.370 nan 0.000 0.493 496 P HA -0.049 nan 4.420 nan 0.000 0.222 496 P C 0.929 178.257 177.300 0.047 0.000 1.147 496 P CA 0.713 63.804 63.100 -0.014 0.000 0.790 496 P CB 0.244 31.935 31.700 -0.016 0.000 0.780 497 A N -0.242 122.635 122.820 0.095 0.000 2.070 497 A HA -0.147 3.749 4.320 -0.706 0.000 0.220 497 A C 1.645 179.303 177.584 0.124 0.000 1.159 497 A CA 1.459 53.571 52.037 0.124 0.000 0.656 497 A CB -0.874 18.230 19.000 0.172 0.000 0.800 497 A HN 0.165 nan 8.150 nan 0.000 0.453 498 N N -0.678 118.089 118.700 0.111 0.000 2.234 498 N HA 0.153 4.469 4.740 -0.706 0.000 0.227 498 N C 1.064 176.615 175.510 0.068 0.000 1.151 498 N CA 0.198 53.321 53.050 0.121 0.000 0.865 498 N CB 0.722 39.293 38.487 0.140 0.000 1.066 498 N HN 0.200 nan 8.380 nan 0.000 0.515 499 V N 1.045 120.979 119.914 0.032 0.000 2.261 499 V HA -0.258 3.438 4.120 -0.706 0.000 0.246 499 V C 2.603 178.685 176.094 -0.020 0.000 1.047 499 V CA 1.797 64.090 62.300 -0.013 0.000 1.015 499 V CB -0.389 31.434 31.823 0.001 0.000 0.642 499 V HN 0.346 nan 8.190 nan 0.000 0.446 500 Q N -0.914 118.888 119.800 0.002 0.000 2.061 500 Q HA -0.267 3.649 4.340 -0.706 0.000 0.204 500 Q C 2.162 178.032 176.000 -0.216 0.000 0.984 500 Q CA 2.414 58.169 55.803 -0.081 0.000 0.846 500 Q CB -0.242 28.484 28.738 -0.020 0.000 0.902 500 Q HN 0.636 nan 8.270 nan 0.000 0.421 501 F N 0.655 120.428 119.950 -0.296 0.000 2.186 501 F HA -0.156 3.943 4.527 -0.714 0.000 0.299 501 F C 2.088 177.762 175.800 -0.210 0.000 1.090 501 F CA 1.801 59.585 58.000 -0.361 0.000 1.307 501 F CB -0.441 38.471 39.000 -0.147 0.000 1.019 501 F HN 0.008 nan 8.300 nan 0.000 0.489 502 T N 0.268 114.725 114.554 -0.162 0.000 2.684 502 T HA -0.218 3.708 4.350 -0.706 0.000 0.267 502 T C 1.710 176.329 174.700 -0.136 0.000 1.036 502 T CA 1.893 63.887 62.100 -0.176 0.000 1.148 502 T CB -0.369 68.415 68.868 -0.140 0.000 0.863 502 T HN 0.401 nan 8.240 nan 0.000 0.436 503 E N 0.546 120.667 120.200 -0.130 0.000 2.118 503 E HA -0.078 3.848 4.350 -0.706 0.000 0.195 503 E C 2.173 178.678 176.600 -0.158 0.000 0.992 503 E CA 0.928 57.269 56.400 -0.098 0.000 0.804 503 E CB -0.283 29.362 29.700 -0.092 0.000 0.741 503 E HN 0.492 nan 8.360 nan 0.000 0.458 504 I N 0.608 121.006 120.570 -0.287 0.000 2.315 504 I HA -0.287 3.459 4.170 -0.706 0.000 0.248 504 I C 2.376 178.334 176.117 -0.264 0.000 1.117 504 I CA 0.565 61.699 61.300 -0.278 0.000 1.404 504 I CB -0.307 37.474 38.000 -0.364 0.000 1.071 504 I HN 0.269 nan 8.210 nan 0.000 0.419 505 C N 0.899 119.960 119.300 -0.399 0.000 2.432 505 C HA -0.143 3.893 4.460 -0.706 0.000 0.277 505 C C 2.739 177.719 174.990 -0.016 0.000 1.249 505 C CA 0.549 59.391 59.018 -0.293 0.000 1.725 505 C CB -0.781 26.689 27.740 -0.451 0.000 2.028 505 C HN 0.413 nan 8.230 nan 0.000 0.477 506 I N 1.490 122.099 120.570 0.065 0.000 2.127 506 I HA -0.316 3.430 4.170 -0.706 0.000 0.241 506 I C 2.910 179.025 176.117 -0.003 0.000 1.075 506 I CA 2.167 63.523 61.300 0.093 0.000 1.334 506 I CB -0.769 37.282 38.000 0.085 0.000 1.040 506 I HN 0.533 nan 8.210 nan 0.000 0.405 507 Q N 0.445 120.212 119.800 -0.054 0.000 2.364 507 Q HA -0.280 3.636 4.340 -0.706 0.000 0.209 507 Q C 1.903 177.834 176.000 -0.115 0.000 0.977 507 Q CA 1.360 57.107 55.803 -0.093 0.000 0.885 507 Q CB -0.322 28.343 28.738 -0.122 0.000 0.941 507 Q HN 0.431 nan 8.270 nan 0.000 0.464 508 Q N -0.088 119.654 119.800 -0.098 0.000 2.424 508 Q HA 0.144 4.061 4.340 -0.706 0.000 0.204 508 Q C 0.926 176.885 176.000 -0.067 0.000 0.933 508 Q CA 1.248 56.992 55.803 -0.099 0.000 0.929 508 Q CB 0.595 29.274 28.738 -0.097 0.000 1.037 508 Q HN 0.627 nan 8.270 nan 0.000 0.511 509 G N -1.672 107.112 108.800 -0.027 0.000 2.813 509 G HA2 -0.209 3.327 3.960 -0.706 0.000 0.194 509 G HA3 -0.209 3.327 3.960 -0.706 0.000 0.194 509 G C -0.584 174.352 174.900 0.060 0.000 1.010 509 G CA -0.378 44.717 45.100 -0.009 0.000 0.771 509 G HN 0.234 nan 8.290 nan 0.000 0.485 510 W N 4.644 125.878 121.300 -0.109 0.000 2.409 510 W HA 0.471 4.703 4.660 -0.713 0.000 0.338 510 W C 0.126 176.615 176.519 -0.051 0.000 1.273 510 W CA -0.163 57.132 57.345 -0.083 0.000 1.299 510 W CB 0.639 30.049 29.460 -0.083 0.000 1.192 510 W HN -0.078 nan 8.180 nan 0.000 0.565 511 K N 6.963 127.144 120.400 -0.366 0.000 2.206 511 K HA 0.363 4.259 4.320 -0.706 0.000 0.268 511 K C 0.107 176.102 176.600 -1.008 0.000 1.111 511 K CA -0.221 55.773 56.287 -0.490 0.000 0.955 511 K CB -0.044 32.282 32.500 -0.290 0.000 1.406 511 K HN 0.489 nan 8.250 nan 0.000 0.427 512 A N 4.326 126.506 122.820 -1.066 0.000 2.520 512 A HA 0.191 4.087 4.320 -0.706 0.000 0.245 512 A C -1.194 175.986 177.584 -0.673 0.000 1.072 512 A CA -0.787 50.472 52.037 -1.296 0.000 0.761 512 A CB 0.080 18.798 19.000 -0.470 0.000 1.004 512 A HN 0.360 nan 8.150 nan 0.000 0.499 513 P HA -0.046 nan 4.420 nan 0.000 0.223 513 P C 0.034 177.176 177.300 -0.264 0.000 1.151 513 P CA 0.349 63.302 63.100 -0.245 0.000 0.787 513 P CB 0.055 31.718 31.700 -0.063 0.000 0.788 514 R N -1.459 118.790 120.500 -0.418 0.000 3.332 514 R HA -0.102 3.814 4.340 -0.706 0.000 0.263 514 R C 0.668 176.779 176.300 -0.316 0.000 1.053 514 R CA 0.328 55.975 56.100 -0.755 0.000 0.705 514 R CB -2.477 27.413 30.300 -0.683 0.000 1.166 514 R HN 0.354 nan 8.270 nan 0.000 0.427 515 G N -0.640 108.134 108.800 -0.043 0.000 2.938 515 G HA2 0.417 3.954 3.960 -0.706 0.000 0.258 515 G HA3 0.417 3.954 3.960 -0.706 0.000 0.258 515 G C 0.253 175.236 174.900 0.140 0.000 1.356 515 G CA -0.526 44.603 45.100 0.049 0.000 1.052 515 G HN 0.181 nan 8.290 nan 0.000 0.550 516 R N -1.684 118.837 120.500 0.034 0.000 2.223 516 R HA 0.213 4.129 4.340 -0.706 0.000 0.198 516 R C -0.131 175.945 176.300 -0.375 0.000 0.984 516 R CA 0.405 56.409 56.100 -0.160 0.000 1.018 516 R CB 0.059 30.180 30.300 -0.298 0.000 0.945 516 R HN 0.320 nan 8.270 nan 0.000 0.479 517 F N 1.087 121.040 119.950 0.005 0.000 2.576 517 F HA 0.278 4.380 4.527 -0.709 0.000 0.365 517 F C -1.139 174.624 175.800 -0.062 0.000 1.506 517 F CA -1.255 56.479 58.000 -0.444 0.000 1.113 517 F CB 0.811 39.428 39.000 -0.638 0.000 1.293 517 F HN -0.254 nan 8.300 nan 0.000 0.540 518 D N 1.538 122.161 120.400 0.371 0.000 2.336 518 D HA 0.162 4.378 4.640 -0.706 0.000 0.249 518 D C 0.291 176.933 176.300 0.571 0.000 1.213 518 D CA 0.126 54.414 54.000 0.480 0.000 0.870 518 D CB 1.865 43.007 40.800 0.570 0.000 1.076 518 D HN -0.073 nan 8.370 nan 0.000 0.483 519 V N 4.044 124.253 119.914 0.492 0.000 2.475 519 V HA -0.087 3.609 4.120 -0.706 0.000 0.292 519 V C 1.129 177.309 176.094 0.144 0.000 1.003 519 V CA -0.045 62.415 62.300 0.267 0.000 1.120 519 V CB -0.204 31.715 31.823 0.160 0.000 0.937 519 V HN 0.364 nan 8.190 nan 0.000 0.476 520 L N 8.757 129.970 121.223 -0.018 0.000 2.483 520 L HA 0.239 4.155 4.340 -0.706 0.000 0.275 520 L C -1.548 175.153 176.870 -0.282 0.000 1.220 520 L CA -1.062 53.624 54.840 -0.257 0.000 0.833 520 L CB 0.404 42.405 42.059 -0.096 0.000 1.102 520 L HN 0.492 nan 8.230 nan 0.000 0.490 521 P HA 0.201 nan 4.420 nan 0.000 0.278 521 P C -1.016 176.211 177.300 -0.122 0.000 1.258 521 P CA -0.552 62.343 63.100 -0.342 0.000 0.811 521 P CB 0.942 32.268 31.700 -0.623 0.000 1.063 522 L N 1.445 122.667 121.223 -0.002 0.000 2.349 522 L HA 0.275 4.191 4.340 -0.706 0.000 0.275 522 L C 0.451 177.384 176.870 0.105 0.000 1.115 522 L CA -0.648 54.255 54.840 0.104 0.000 0.820 522 L CB 0.374 42.532 42.059 0.165 0.000 1.135 522 L HN 0.252 nan 8.230 nan 0.000 0.445 523 L N 5.444 126.768 121.223 0.167 0.000 2.345 523 L HA 0.514 4.430 4.340 -0.706 0.000 0.274 523 L C -0.874 175.999 176.870 0.006 0.000 0.999 523 L CA 0.013 54.878 54.840 0.042 0.000 0.849 523 L CB 0.992 43.097 42.059 0.076 0.000 1.220 523 L HN 0.378 nan 8.230 nan 0.000 0.422 524 L N 4.261 125.466 121.223 -0.029 0.000 2.346 524 L HA 0.587 4.503 4.340 -0.706 0.000 0.276 524 L C -0.363 176.417 176.870 -0.151 0.000 1.006 524 L CA -0.552 54.272 54.840 -0.027 0.000 0.817 524 L CB 1.924 44.006 42.059 0.037 0.000 1.272 524 L HN 0.568 nan 8.230 nan 0.000 0.421 525 Q N 2.839 122.555 119.800 -0.141 0.000 2.341 525 Q HA 0.700 4.616 4.340 -0.706 0.000 0.268 525 Q C -1.333 174.515 176.000 -0.253 0.000 1.013 525 Q CA -0.612 55.070 55.803 -0.201 0.000 0.798 525 Q CB 2.028 30.708 28.738 -0.098 0.000 1.253 525 Q HN 0.774 nan 8.270 nan 0.000 0.457 526 A N 4.153 126.758 122.820 -0.360 0.000 2.304 526 A HA 0.428 4.324 4.320 -0.706 0.000 0.323 526 A C 0.131 177.217 177.584 -0.829 0.000 1.195 526 A CA -0.346 51.233 52.037 -0.762 0.000 0.826 526 A CB 0.674 19.480 19.000 -0.323 0.000 1.184 526 A HN 1.056 nan 8.150 nan 0.000 0.496 527 N N 0.649 118.498 118.700 -1.418 0.000 2.725 527 N HA -0.186 4.130 4.740 -0.706 0.000 0.249 527 N C 0.943 176.281 175.510 -0.286 0.000 1.103 527 N CA 2.445 55.148 53.050 -0.578 0.000 0.707 527 N CB -1.119 37.230 38.487 -0.230 0.000 1.043 527 N HN 2.283 nan 8.380 nan 0.000 0.553 528 G N -2.191 106.431 108.800 -0.297 0.000 2.184 528 G HA2 -0.376 3.160 3.960 -0.706 0.000 0.264 528 G HA3 -0.376 3.160 3.960 -0.706 0.000 0.264 528 G C 0.192 175.009 174.900 -0.138 0.000 0.975 528 G CA 0.430 45.409 45.100 -0.202 0.000 0.642 528 G HN 0.731 nan 8.290 nan 0.000 0.536 529 N N 0.901 119.492 118.700 -0.181 0.000 2.354 529 N HA 0.416 4.732 4.740 -0.706 0.000 0.246 529 N C -0.244 175.198 175.510 -0.113 0.000 1.285 529 N CA -0.372 52.611 53.050 -0.113 0.000 0.925 529 N CB 0.401 38.819 38.487 -0.115 0.000 1.174 529 N HN 0.131 nan 8.380 nan 0.000 0.478 530 D N 1.116 121.486 120.400 -0.050 0.000 2.443 530 D HA 0.083 4.299 4.640 -0.706 0.000 0.239 530 D C -1.999 174.117 176.300 -0.306 0.000 1.136 530 D CA -0.704 53.212 54.000 -0.139 0.000 0.879 530 D CB 0.184 41.019 40.800 0.058 0.000 1.195 530 D HN 0.286 nan 8.370 nan 0.000 0.443 531 P HA 0.190 nan 4.420 nan 0.000 0.274 531 P C -0.676 176.404 177.300 -0.367 0.000 1.237 531 P CA -0.309 62.425 63.100 -0.610 0.000 0.793 531 P CB 1.178 32.087 31.700 -1.317 0.000 0.977 532 E N 0.345 120.378 120.200 -0.278 0.000 2.312 532 E HA 0.476 4.402 4.350 -0.706 0.000 0.267 532 E C -0.652 175.700 176.600 -0.413 0.000 0.894 532 E CA -0.991 55.215 56.400 -0.324 0.000 0.773 532 E CB 1.728 31.220 29.700 -0.347 0.000 1.241 532 E HN 0.340 nan 8.360 nan 0.000 0.432 533 L N 2.419 123.314 121.223 -0.547 0.000 2.334 533 L HA 0.497 4.414 4.340 -0.706 0.000 0.277 533 L C -1.011 175.346 176.870 -0.856 0.000 1.075 533 L CA -0.197 54.357 54.840 -0.476 0.000 0.804 533 L CB 0.391 42.269 42.059 -0.301 0.000 1.174 533 L HN 0.446 nan 8.230 nan 0.000 0.438 534 F N 0.680 120.429 119.950 -0.334 0.000 2.608 534 F HA 0.300 3.762 4.527 -1.774 0.000 0.309 534 F C -0.273 175.307 175.800 -0.367 0.000 1.103 534 F CA -0.660 57.010 58.000 -0.550 0.000 0.954 534 F CB 1.819 40.249 39.000 -0.949 0.000 1.267 534 F HN 0.323 nan 8.300 nan 0.000 0.444 535 Q N 3.942 123.672 119.800 -0.116 0.000 2.303 535 Q HA 0.532 4.448 4.340 -0.706 0.000 0.257 535 Q C -0.721 175.422 176.000 0.239 0.000 0.941 535 Q CA -0.562 55.277 55.803 0.060 0.000 0.931 535 Q CB 1.045 29.847 28.738 0.106 0.000 1.215 535 Q HN 0.721 nan 8.270 nan 0.000 0.437 536 I N 6.625 127.370 120.570 0.292 0.000 2.752 536 I HA 0.008 3.754 4.170 -0.706 0.000 0.289 536 I C -1.894 174.365 176.117 0.236 0.000 1.197 536 I CA -1.569 59.927 61.300 0.328 0.000 1.432 536 I CB 0.319 38.412 38.000 0.155 0.000 1.359 536 I HN 0.510 nan 8.210 nan 0.000 0.571 537 P HA -0.034 nan 4.420 nan 0.000 0.256 537 P C -1.924 175.444 177.300 0.113 0.000 1.173 537 P CA -0.663 62.530 63.100 0.155 0.000 0.768 537 P CB 0.034 31.797 31.700 0.105 0.000 0.758 538 P HA -0.255 nan 4.420 nan 0.000 0.218 538 P C 1.302 178.648 177.300 0.076 0.000 1.152 538 P CA 1.556 64.714 63.100 0.098 0.000 0.857 538 P CB -0.177 31.582 31.700 0.098 0.000 0.787 539 E N -0.407 119.832 120.200 0.066 0.000 2.482 539 E HA -0.070 3.856 4.350 -0.706 0.000 0.196 539 E C 1.554 178.178 176.600 0.040 0.000 1.047 539 E CA 0.700 57.129 56.400 0.049 0.000 0.869 539 E CB -0.849 28.877 29.700 0.042 0.000 0.836 539 E HN 0.322 nan 8.360 nan 0.000 0.520 540 L N 0.852 122.102 121.223 0.044 0.000 2.529 540 L HA 0.143 4.059 4.340 -0.706 0.000 0.223 540 L C 0.568 177.462 176.870 0.040 0.000 1.113 540 L CA -0.054 54.806 54.840 0.034 0.000 0.861 540 L CB 0.593 42.665 42.059 0.021 0.000 1.012 540 L HN -0.116 nan 8.230 nan 0.000 0.461 541 V N 2.383 122.325 119.914 0.046 0.000 2.299 541 V HA 0.102 3.798 4.120 -0.706 0.000 0.255 541 V C 0.151 176.280 176.094 0.059 0.000 1.100 541 V CA -0.504 61.824 62.300 0.047 0.000 0.938 541 V CB 0.868 32.716 31.823 0.043 0.000 1.139 541 V HN 0.070 nan 8.190 nan 0.000 0.490 542 L N 5.618 126.876 121.223 0.060 0.000 2.477 542 L HA 0.344 4.261 4.340 -0.706 0.000 0.272 542 L C 0.233 177.138 176.870 0.058 0.000 1.157 542 L CA 0.819 55.686 54.840 0.044 0.000 0.889 542 L CB 0.070 42.148 42.059 0.033 0.000 1.158 542 L HN 0.652 nan 8.230 nan 0.000 0.473 543 E N 3.181 123.396 120.200 0.025 0.000 2.299 543 E HA 0.652 4.578 4.350 -0.706 0.000 0.265 543 E C -1.434 175.112 176.600 -0.091 0.000 0.911 543 E CA -1.025 55.387 56.400 0.021 0.000 0.789 543 E CB 2.449 32.196 29.700 0.078 0.000 1.246 543 E HN 0.375 nan 8.360 nan 0.000 0.427 544 V N 2.900 122.730 119.914 -0.140 0.000 2.483 544 V HA 0.328 4.024 4.120 -0.706 0.000 0.297 544 V C -2.429 173.628 176.094 -0.060 0.000 1.027 544 V CA -1.992 60.179 62.300 -0.215 0.000 0.855 544 V CB 1.527 32.995 31.823 -0.592 0.000 0.995 544 V HN 0.545 nan 8.190 nan 0.000 0.424 545 P HA 0.321 nan 4.420 nan 0.000 0.276 545 P C -0.844 176.507 177.300 0.086 0.000 1.230 545 P CA -0.220 62.893 63.100 0.021 0.000 0.776 545 P CB 0.706 32.417 31.700 0.019 0.000 0.888 546 I N 4.364 125.035 120.570 0.169 0.000 2.304 546 I HA 0.340 4.086 4.170 -0.706 0.000 0.291 546 I C 1.097 177.423 176.117 0.348 0.000 1.018 546 I CA -0.378 61.088 61.300 0.276 0.000 1.260 546 I CB 0.250 38.500 38.000 0.416 0.000 1.390 546 I HN 0.444 nan 8.210 nan 0.000 0.475 547 R N 5.355 126.013 120.500 0.264 0.000 2.888 547 R HA 0.550 4.467 4.340 -0.706 0.000 0.264 547 R C -1.273 175.097 176.300 0.116 0.000 1.045 547 R CA -0.669 55.593 56.100 0.270 0.000 0.962 547 R CB 2.217 32.655 30.300 0.230 0.000 1.210 547 R HN 0.579 nan 8.270 nan 0.000 0.479 548 H N 1.166 120.157 119.070 -0.130 0.000 2.538 548 H HA 0.330 4.462 4.556 -0.707 0.000 0.353 548 H C -1.893 173.140 175.328 -0.492 0.000 1.109 548 H CA -2.057 53.740 56.048 -0.419 0.000 1.192 548 H CB 2.635 32.043 29.762 -0.589 0.000 1.555 548 H HN 0.336 nan 8.280 nan 0.000 0.518 549 P HA -0.062 nan 4.420 nan 0.000 0.223 549 P C 0.981 178.037 177.300 -0.406 0.000 1.151 549 P CA 1.006 63.528 63.100 -0.964 0.000 0.787 549 P CB 0.851 31.770 31.700 -1.303 0.000 0.788 550 K N -1.285 118.986 120.400 -0.214 0.000 2.344 550 K HA 0.096 3.993 4.320 -0.706 0.000 0.200 550 K C 0.059 176.536 176.600 -0.205 0.000 1.132 550 K CA 0.070 56.212 56.287 -0.242 0.000 0.935 550 K CB 0.350 32.609 32.500 -0.401 0.000 1.089 550 K HN -0.129 nan 8.250 nan 0.000 0.496 551 F N 2.614 122.415 119.950 -0.248 0.000 2.404 551 F HA 0.136 4.239 4.527 -0.707 0.000 0.359 551 F C 0.926 176.396 175.800 -0.550 0.000 1.134 551 F CA -1.075 56.537 58.000 -0.646 0.000 1.160 551 F CB 0.950 39.100 39.000 -1.417 0.000 1.186 551 F HN 0.102 nan 8.300 nan 0.000 0.526 552 D N 3.868 124.204 120.400 -0.106 0.000 2.264 552 D HA -0.167 4.049 4.640 -0.706 0.000 0.208 552 D C 1.999 178.326 176.300 0.045 0.000 0.966 552 D CA 1.008 55.008 54.000 0.000 0.000 0.864 552 D CB -0.017 40.829 40.800 0.078 0.000 0.933 552 D HN 0.631 nan 8.370 nan 0.000 0.499 553 W N -0.560 120.841 121.300 0.168 0.000 2.595 553 W HA -0.058 4.178 4.660 -0.707 0.000 0.257 553 W C 1.334 177.933 176.519 0.133 0.000 1.267 553 W CA -0.365 57.043 57.345 0.104 0.000 1.300 553 W CB -1.317 28.159 29.460 0.026 0.000 1.120 553 W HN -0.073 nan 8.180 nan 0.000 0.618 554 F N 3.836 123.599 119.950 -0.312 0.000 2.126 554 F HA -0.240 3.863 4.527 -0.707 0.000 0.299 554 F C 2.685 178.531 175.800 0.077 0.000 1.096 554 F CA 3.152 61.059 58.000 -0.154 0.000 1.255 554 F CB -0.262 38.550 39.000 -0.314 0.000 0.997 554 F HN -0.129 nan 8.300 nan 0.000 0.479 555 K N -0.670 119.881 120.400 0.251 0.000 2.211 555 K HA -0.188 3.708 4.320 -0.706 0.000 0.204 555 K C 1.217 177.888 176.600 0.119 0.000 1.047 555 K CA 1.861 58.262 56.287 0.191 0.000 0.935 555 K CB -0.586 32.010 32.500 0.160 0.000 0.728 555 K HN 0.218 nan 8.250 nan 0.000 0.452 556 D N 1.256 121.731 120.400 0.125 0.000 2.347 556 D HA -0.025 4.191 4.640 -0.706 0.000 0.215 556 D C 1.773 178.107 176.300 0.056 0.000 0.976 556 D CA 0.586 54.645 54.000 0.100 0.000 0.884 556 D CB 0.014 40.890 40.800 0.127 0.000 0.915 556 D HN 0.265 nan 8.370 nan 0.000 0.526 557 L N 0.113 121.335 121.223 -0.002 0.000 2.265 557 L HA -0.030 3.886 4.340 -0.706 0.000 0.215 557 L C 1.623 178.499 176.870 0.010 0.000 1.117 557 L CA 0.863 55.664 54.840 -0.064 0.000 0.782 557 L CB -0.495 41.395 42.059 -0.281 0.000 0.914 557 L HN 0.107 nan 8.230 nan 0.000 0.441 558 G N 0.408 109.237 108.800 0.047 0.000 2.176 558 G HA2 -0.271 3.265 3.960 -0.706 0.000 0.252 558 G HA3 -0.271 3.265 3.960 -0.706 0.000 0.252 558 G C 0.072 175.064 174.900 0.153 0.000 1.024 558 G CA -0.178 44.986 45.100 0.107 0.000 0.755 558 G HN 0.227 nan 8.290 nan 0.000 0.507 559 L N -0.051 121.215 121.223 0.071 0.000 2.350 559 L HA 0.668 4.584 4.340 -0.706 0.000 0.275 559 L C 0.768 177.571 176.870 -0.111 0.000 1.099 559 L CA -0.416 54.430 54.840 0.011 0.000 0.808 559 L CB 1.292 43.315 42.059 -0.060 0.000 1.149 559 L HN 0.474 nan 8.230 nan 0.000 0.442 560 K N 1.894 122.003 120.400 -0.485 0.000 2.495 560 K HA 0.551 4.448 4.320 -0.706 0.000 0.268 560 K C -1.790 174.813 176.600 0.005 0.000 1.008 560 K CA -1.010 55.128 56.287 -0.248 0.000 0.882 560 K CB 2.660 34.960 32.500 -0.333 0.000 1.443 560 K HN 0.537 nan 8.250 nan 0.000 0.447 561 W N 1.696 122.977 121.300 -0.032 0.000 3.075 561 W HA 0.353 4.593 4.660 -0.701 0.000 0.334 561 W C -1.337 175.250 176.519 0.113 0.000 1.243 561 W CA -0.849 56.537 57.345 0.069 0.000 1.170 561 W CB 1.910 31.309 29.460 -0.102 0.000 1.452 561 W HN 0.708 nan 8.180 nan 0.000 0.572 562 Y N -0.060 120.200 120.300 -0.067 0.000 2.335 562 Y HA 0.601 4.731 4.550 -0.700 0.000 0.323 562 Y C 0.927 177.035 175.900 0.347 0.000 1.224 562 Y CA -0.305 57.807 58.100 0.020 0.000 1.241 562 Y CB 0.507 38.843 38.460 -0.205 0.000 1.235 562 Y HN 0.439 nan 8.280 nan 0.000 0.492 563 G N 1.412 110.443 108.800 0.384 0.000 2.551 563 G HA2 0.003 3.539 3.960 -0.706 0.000 0.216 563 G HA3 0.003 3.539 3.960 -0.706 0.000 0.216 563 G C -0.336 174.892 174.900 0.547 0.000 1.137 563 G CA 0.111 45.489 45.100 0.463 0.000 0.798 563 G HN 0.537 nan 8.290 nan 0.000 0.536 564 L N 2.335 123.850 121.223 0.487 0.000 2.301 564 L HA 0.483 4.399 4.340 -0.706 0.000 0.278 564 L C -2.385 174.626 176.870 0.235 0.000 1.022 564 L CA -2.621 52.394 54.840 0.293 0.000 0.854 564 L CB 1.834 44.008 42.059 0.192 0.000 1.226 564 L HN -0.198 nan 8.230 nan 0.000 0.429 565 P HA 0.326 nan 4.420 nan 0.000 0.287 565 P C -1.196 175.998 177.300 -0.178 0.000 1.307 565 P CA -0.277 62.688 63.100 -0.225 0.000 0.777 565 P CB 1.401 32.587 31.700 -0.857 0.000 0.883 566 A N 4.465 127.183 122.820 -0.171 0.000 2.943 566 A HA 0.346 4.242 4.320 -0.706 0.000 0.327 566 A C -0.158 177.173 177.584 -0.423 0.000 1.141 566 A CA -0.626 51.239 52.037 -0.287 0.000 0.773 566 A CB 0.353 19.219 19.000 -0.223 0.000 1.143 566 A HN 0.296 nan 8.150 nan 0.000 0.463 567 V N 2.369 121.888 119.914 -0.658 0.000 2.557 567 V HA 0.109 3.805 4.120 -0.706 0.000 0.301 567 V C 1.351 177.024 176.094 -0.701 0.000 1.026 567 V CA 1.636 63.512 62.300 -0.705 0.000 1.137 567 V CB 0.871 32.163 31.823 -0.886 0.000 0.917 567 V HN 1.069 nan 8.190 nan 0.000 0.484 568 S N 1.603 117.084 115.700 -0.365 0.000 2.733 568 S HA 0.069 4.116 4.470 -0.706 0.000 0.247 568 S C 0.803 175.344 174.600 -0.097 0.000 1.043 568 S CA -0.018 58.051 58.200 -0.217 0.000 1.066 568 S CB -0.038 63.062 63.200 -0.166 0.000 1.045 568 S HN 0.817 nan 8.310 nan 0.000 0.586 569 N N 1.139 119.783 118.700 -0.093 0.000 2.203 569 N HA 0.303 4.619 4.740 -0.706 0.000 0.207 569 N C 0.108 175.635 175.510 0.027 0.000 1.130 569 N CA -0.275 52.750 53.050 -0.041 0.000 0.861 569 N CB -0.257 38.187 38.487 -0.071 0.000 1.005 569 N HN 0.390 nan 8.380 nan 0.000 0.507 570 M N 0.321 119.968 119.600 0.079 0.000 2.371 570 M HA 0.381 4.437 4.480 -0.706 0.000 0.301 570 M C -0.534 175.886 176.300 0.199 0.000 1.173 570 M CA -0.886 54.512 55.300 0.163 0.000 1.020 570 M CB 1.846 34.582 32.600 0.228 0.000 1.490 570 M HN 0.012 nan 8.290 nan 0.000 0.485 571 L N 2.030 123.367 121.223 0.191 0.000 2.333 571 L HA 0.526 4.442 4.340 -0.706 0.000 0.280 571 L C -1.550 175.409 176.870 0.149 0.000 1.004 571 L CA -0.988 53.946 54.840 0.157 0.000 0.820 571 L CB 1.456 43.561 42.059 0.077 0.000 1.247 571 L HN 0.556 nan 8.230 nan 0.000 0.416 572 L N 4.965 126.271 121.223 0.139 0.000 2.260 572 L HA 0.407 4.324 4.340 -0.706 0.000 0.289 572 L C -0.293 176.579 176.870 0.003 0.000 1.057 572 L CA 0.333 55.136 54.840 -0.063 0.000 0.811 572 L CB 1.144 43.142 42.059 -0.102 0.000 1.184 572 L HN 0.679 nan 8.230 nan 0.000 0.429 573 E N 5.917 126.049 120.200 -0.113 0.000 2.134 573 E HA 0.449 4.375 4.350 -0.706 0.000 0.278 573 E C -1.344 175.179 176.600 -0.128 0.000 0.959 573 E CA -0.438 55.913 56.400 -0.082 0.000 0.783 573 E CB 0.820 30.472 29.700 -0.080 0.000 1.095 573 E HN 0.693 nan 8.360 nan 0.000 0.399 574 I N 3.302 123.803 120.570 -0.115 0.000 2.478 574 I HA 0.293 4.039 4.170 -0.706 0.000 0.287 574 I C 0.725 176.615 176.117 -0.378 0.000 1.042 574 I CA -0.651 60.456 61.300 -0.321 0.000 1.067 574 I CB 2.011 39.787 38.000 -0.373 0.000 1.233 574 I HN 0.849 nan 8.210 nan 0.000 0.431 575 G N 4.199 112.760 108.800 -0.399 0.000 2.341 575 G HA2 -0.126 3.410 3.960 -0.706 0.000 0.292 575 G HA3 -0.126 3.410 3.960 -0.706 0.000 0.292 575 G C 1.045 175.999 174.900 0.090 0.000 1.021 575 G CA 0.775 45.837 45.100 -0.064 0.000 0.905 575 G HN 1.560 nan 8.290 nan 0.000 0.508 576 G N -1.915 106.889 108.800 0.006 0.000 2.253 576 G HA2 -0.259 3.277 3.960 -0.706 0.000 0.251 576 G HA3 -0.259 3.277 3.960 -0.706 0.000 0.251 576 G C 0.592 175.442 174.900 -0.084 0.000 0.998 576 G CA 0.562 45.663 45.100 0.000 0.000 0.621 576 G HN 1.344 nan 8.290 nan 0.000 0.524 577 L N 0.863 121.984 121.223 -0.170 0.000 2.417 577 L HA 0.523 4.439 4.340 -0.706 0.000 0.268 577 L C 0.432 177.075 176.870 -0.378 0.000 1.158 577 L CA -0.120 54.504 54.840 -0.360 0.000 0.819 577 L CB 0.774 42.503 42.059 -0.549 0.000 1.112 577 L HN 0.183 nan 8.230 nan 0.000 0.458 578 E N 2.591 122.499 120.200 -0.486 0.000 2.185 578 E HA 0.337 4.263 4.350 -0.706 0.000 0.261 578 E C -1.477 174.853 176.600 -0.450 0.000 0.879 578 E CA -0.394 55.814 56.400 -0.320 0.000 0.756 578 E CB 1.516 31.109 29.700 -0.178 0.000 1.152 578 E HN 0.272 nan 8.360 nan 0.000 0.416 579 F N 1.962 121.874 119.950 -0.063 0.000 2.293 579 F HA 0.097 4.198 4.527 -0.709 0.000 0.370 579 F C 1.460 177.280 175.800 0.034 0.000 1.090 579 F CA -0.451 57.532 58.000 -0.028 0.000 1.133 579 F CB 1.113 40.077 39.000 -0.061 0.000 1.360 579 F HN 0.389 nan 8.300 nan 0.000 0.489 580 S N 1.037 116.835 115.700 0.163 0.000 2.489 580 S HA 0.283 4.329 4.470 -0.706 0.000 0.228 580 S C 0.806 175.517 174.600 0.184 0.000 0.995 580 S CA 0.243 58.527 58.200 0.139 0.000 0.934 580 S CB 0.107 63.365 63.200 0.096 0.000 0.771 580 S HN 0.462 nan 8.310 nan 0.000 0.522 581 A N 1.039 124.018 122.820 0.264 0.000 2.363 581 A HA 0.599 4.495 4.320 -0.706 0.000 0.296 581 A C -0.109 177.704 177.584 0.382 0.000 1.237 581 A CA -0.661 51.562 52.037 0.310 0.000 0.773 581 A CB 0.341 19.531 19.000 0.315 0.000 1.153 581 A HN 0.993 nan 8.150 nan 0.000 0.473 582 C N 0.692 120.168 119.300 0.294 0.000 3.235 582 C HA 0.475 4.511 4.460 -0.706 0.000 0.198 582 C C -2.898 172.234 174.990 0.236 0.000 1.527 582 C CA -1.814 57.353 59.018 0.248 0.000 1.167 582 C CB -0.381 27.532 27.740 0.287 0.000 1.938 582 C HN 0.539 nan 8.230 nan 0.000 0.593 583 P HA 0.316 nan 4.420 nan 0.000 0.265 583 P C -0.572 176.734 177.300 0.010 0.000 1.193 583 P CA 0.952 64.014 63.100 -0.064 0.000 0.765 583 P CB 0.305 31.921 31.700 -0.139 0.000 0.823 584 F N -0.258 119.616 119.950 -0.126 0.000 2.588 584 F HA 0.784 4.888 4.527 -0.704 0.000 0.314 584 F C -0.660 175.050 175.800 -0.150 0.000 1.069 584 F CA -1.216 56.716 58.000 -0.113 0.000 0.931 584 F CB 1.602 40.414 39.000 -0.314 0.000 1.260 584 F HN 0.364 nan 8.300 nan 0.000 0.465 585 S N 0.395 116.176 115.700 0.135 0.000 2.564 585 S HA 0.937 4.983 4.470 -0.706 0.000 0.274 585 S C -0.654 173.896 174.600 -0.083 0.000 1.124 585 S CA -0.177 58.033 58.200 0.018 0.000 0.869 585 S CB 1.500 64.798 63.200 0.164 0.000 1.105 585 S HN 1.406 nan 8.310 nan 0.000 0.472 586 G N 0.211 108.907 108.800 -0.174 0.000 3.259 586 G HA2 0.749 4.285 3.960 -0.706 0.000 0.193 586 G HA3 0.749 4.285 3.960 -0.706 0.000 0.193 586 G C -1.336 173.540 174.900 -0.040 0.000 1.457 586 G CA -0.319 44.589 45.100 -0.321 0.000 0.771 586 G HN 1.084 nan 8.290 nan 0.000 0.765 587 W N -1.907 119.390 121.300 -0.005 0.000 3.042 587 W HA 0.785 5.021 4.660 -0.708 0.000 0.342 587 W C -1.804 174.705 176.519 -0.017 0.000 1.240 587 W CA -2.052 55.300 57.345 0.011 0.000 1.166 587 W CB 0.438 29.950 29.460 0.086 0.000 1.469 587 W HN 0.367 nan 8.180 nan 0.000 0.579 588 Y N 2.524 123.003 120.300 0.298 0.000 2.346 588 Y HA 0.296 4.422 4.550 -0.707 0.000 0.330 588 Y C 0.905 176.858 175.900 0.088 0.000 1.178 588 Y CA -0.532 57.617 58.100 0.082 0.000 1.331 588 Y CB 1.124 39.522 38.460 -0.103 0.000 1.253 588 Y HN 0.400 nan 8.280 nan 0.000 0.529 589 M N 2.416 122.157 119.600 0.234 0.000 2.233 589 M HA 0.304 4.360 4.480 -0.706 0.000 0.355 589 M C 1.222 177.515 176.300 -0.011 0.000 1.191 589 M CA 0.097 55.466 55.300 0.115 0.000 1.101 589 M CB 1.119 33.766 32.600 0.079 0.000 1.592 589 M HN 0.902 nan 8.290 nan 0.000 0.461 590 G N 1.330 110.089 108.800 -0.069 0.000 2.469 590 G HA2 -0.260 3.276 3.960 -0.706 0.000 0.219 590 G HA3 -0.260 3.276 3.960 -0.706 0.000 0.219 590 G C 1.170 175.922 174.900 -0.247 0.000 1.150 590 G CA 1.585 46.564 45.100 -0.201 0.000 0.763 590 G HN 0.871 nan 8.290 nan 0.000 0.561 591 T N -0.630 113.818 114.554 -0.177 0.000 2.833 591 T HA -0.051 3.875 4.350 -0.706 0.000 0.269 591 T C 1.917 176.459 174.700 -0.263 0.000 1.054 591 T CA 1.545 63.501 62.100 -0.240 0.000 1.135 591 T CB -0.308 68.385 68.868 -0.290 0.000 0.869 591 T HN 0.505 nan 8.240 nan 0.000 0.466 592 E N 1.005 121.071 120.200 -0.222 0.000 2.086 592 E HA -0.128 3.798 4.350 -0.706 0.000 0.200 592 E C 2.061 178.403 176.600 -0.431 0.000 1.012 592 E CA 1.716 57.991 56.400 -0.209 0.000 0.812 592 E CB -0.372 29.337 29.700 0.015 0.000 0.743 592 E HN 0.622 nan 8.360 nan 0.000 0.453 593 I N -0.221 119.928 120.570 -0.702 0.000 2.385 593 I HA -0.031 3.716 4.170 -0.706 0.000 0.244 593 I C 2.566 178.121 176.117 -0.936 0.000 1.089 593 I CA 0.868 61.471 61.300 -1.162 0.000 1.410 593 I CB -0.367 36.727 38.000 -1.509 0.000 1.117 593 I HN 0.083 nan 8.210 nan 0.000 0.429 594 G N 0.471 108.930 108.800 -0.567 0.000 2.422 594 G HA2 -0.090 3.447 3.960 -0.706 0.000 0.218 594 G HA3 -0.090 3.447 3.960 -0.706 0.000 0.218 594 G C 1.582 176.422 174.900 -0.100 0.000 1.140 594 G CA 0.817 45.782 45.100 -0.224 0.000 0.775 594 G HN 0.208 nan 8.290 nan 0.000 0.545 595 V N 0.125 119.932 119.914 -0.178 0.000 2.403 595 V HA 0.084 3.780 4.120 -0.706 0.000 0.239 595 V C 2.769 178.797 176.094 -0.110 0.000 1.041 595 V CA 0.894 63.119 62.300 -0.124 0.000 1.051 595 V CB -0.211 31.507 31.823 -0.174 0.000 0.704 595 V HN 0.106 nan 8.190 nan 0.000 0.472 596 R N 0.690 121.090 120.500 -0.167 0.000 2.051 596 R HA -0.018 3.899 4.340 -0.706 0.000 0.225 596 R C 1.966 178.210 176.300 -0.094 0.000 1.155 596 R CA 1.479 57.504 56.100 -0.125 0.000 0.945 596 R CB -1.173 29.040 30.300 -0.144 0.000 0.840 596 R HN 0.456 nan 8.270 nan 0.000 0.432 597 D N 0.158 120.416 120.400 -0.238 0.000 2.144 597 D HA -0.152 4.064 4.640 -0.706 0.000 0.199 597 D C 1.869 178.180 176.300 0.019 0.000 0.984 597 D CA 1.204 55.068 54.000 -0.228 0.000 0.834 597 D CB -0.141 40.168 40.800 -0.818 0.000 0.955 597 D HN 0.194 nan 8.370 nan 0.000 0.465 598 Y N -0.258 119.946 120.300 -0.160 0.000 2.347 598 Y HA 0.061 4.187 4.550 -0.707 0.000 0.294 598 Y C 2.366 178.309 175.900 0.072 0.000 1.117 598 Y CA -0.309 57.780 58.100 -0.018 0.000 1.184 598 Y CB -0.338 38.087 38.460 -0.058 0.000 1.047 598 Y HN 0.057 nan 8.280 nan 0.000 0.546 599 C N -1.125 118.282 119.300 0.178 0.000 3.230 599 C HA 0.223 4.259 4.460 -0.706 0.000 0.300 599 C C 0.186 175.222 174.990 0.077 0.000 1.292 599 C CA -0.860 58.230 59.018 0.120 0.000 1.707 599 C CB -0.442 27.346 27.740 0.081 0.000 2.181 599 C HN 0.179 nan 8.230 nan 0.000 0.655 600 D N 2.427 122.865 120.400 0.064 0.000 2.533 600 D HA -0.011 4.205 4.640 -0.706 0.000 0.236 600 D C 1.037 177.379 176.300 0.071 0.000 1.137 600 D CA 0.525 54.554 54.000 0.049 0.000 0.867 600 D CB 0.472 41.301 40.800 0.048 0.000 1.170 600 D HN 0.242 nan 8.370 nan 0.000 0.474 601 N N 0.586 119.316 118.700 0.051 0.000 2.205 601 N HA -0.151 4.166 4.740 -0.706 0.000 0.186 601 N C 1.317 176.860 175.510 0.055 0.000 1.015 601 N CA 0.880 53.962 53.050 0.055 0.000 0.862 601 N CB -0.102 38.410 38.487 0.042 0.000 0.986 601 N HN 0.394 nan 8.380 nan 0.000 0.429 602 S N -0.466 115.266 115.700 0.053 0.000 2.605 602 S HA 0.251 4.297 4.470 -0.706 0.000 0.217 602 S C 1.093 175.733 174.600 0.066 0.000 0.958 602 S CA -0.340 57.890 58.200 0.050 0.000 0.919 602 S CB 0.669 63.897 63.200 0.046 0.000 0.780 602 S HN 0.014 nan 8.310 nan 0.000 0.507 603 R N 0.342 120.901 120.500 0.098 0.000 2.647 603 R HA 0.395 4.311 4.340 -0.706 0.000 0.124 603 R C 0.769 177.156 176.300 0.145 0.000 1.294 603 R CA -0.477 55.718 56.100 0.158 0.000 1.060 603 R CB -1.062 29.380 30.300 0.236 0.000 1.282 603 R HN 0.291 nan 8.270 nan 0.000 0.430 604 Y N 1.454 121.873 120.300 0.199 0.000 2.509 604 Y HA -0.083 4.043 4.550 -0.708 0.000 0.293 604 Y C 0.625 176.596 175.900 0.119 0.000 1.133 604 Y CA 0.882 59.094 58.100 0.187 0.000 1.283 604 Y CB -0.383 38.258 38.460 0.302 0.000 1.001 604 Y HN 0.491 nan 8.280 nan 0.000 0.555 605 N N 0.600 119.439 118.700 0.231 0.000 2.688 605 N HA -0.229 4.087 4.740 -0.706 0.000 0.258 605 N C 0.329 175.921 175.510 0.137 0.000 1.016 605 N CA 0.839 53.977 53.050 0.146 0.000 0.747 605 N CB -1.331 37.214 38.487 0.096 0.000 0.895 605 N HN 0.659 nan 8.380 nan 0.000 0.543 606 I N -3.235 117.423 120.570 0.148 0.000 3.883 606 I HA 0.130 3.876 4.170 -0.706 0.000 0.326 606 I C 1.621 177.810 176.117 0.121 0.000 1.283 606 I CA -0.386 60.977 61.300 0.106 0.000 1.161 606 I CB -0.087 37.939 38.000 0.042 0.000 1.012 606 I HN 0.176 nan 8.210 nan 0.000 0.421 607 L N 1.375 122.689 121.223 0.152 0.000 2.012 607 L HA -0.211 3.706 4.340 -0.706 0.000 0.210 607 L C 2.692 179.727 176.870 0.275 0.000 1.073 607 L CA 2.046 57.006 54.840 0.200 0.000 0.748 607 L CB -0.398 41.756 42.059 0.159 0.000 0.891 607 L HN 0.436 nan 8.230 nan 0.000 0.431 608 E N -0.142 120.212 120.200 0.257 0.000 2.077 608 E HA -0.295 3.631 4.350 -0.706 0.000 0.193 608 E C 2.074 178.707 176.600 0.054 0.000 0.989 608 E CA 1.436 57.954 56.400 0.197 0.000 0.800 608 E CB 0.052 29.827 29.700 0.125 0.000 0.746 608 E HN 0.401 nan 8.360 nan 0.000 0.452 609 E N -0.335 119.888 120.200 0.038 0.000 2.077 609 E HA -0.177 3.750 4.350 -0.706 0.000 0.193 609 E C 2.064 178.635 176.600 -0.049 0.000 0.989 609 E CA 1.278 57.662 56.400 -0.027 0.000 0.800 609 E CB 0.200 29.887 29.700 -0.021 0.000 0.746 609 E HN 0.140 nan 8.360 nan 0.000 0.452 610 V N 1.006 120.946 119.914 0.043 0.000 2.358 610 V HA -0.241 3.456 4.120 -0.706 0.000 0.246 610 V C 2.394 178.521 176.094 0.054 0.000 1.047 610 V CA 1.725 64.093 62.300 0.114 0.000 1.035 610 V CB -0.701 31.292 31.823 0.284 0.000 0.658 610 V HN 0.392 nan 8.190 nan 0.000 0.452 611 A N -0.293 122.593 122.820 0.111 0.000 1.902 611 A HA -0.237 3.659 4.320 -0.706 0.000 0.217 611 A C 2.302 179.816 177.584 -0.118 0.000 1.181 611 A CA 1.927 54.023 52.037 0.097 0.000 0.623 611 A CB -0.433 18.743 19.000 0.294 0.000 0.818 611 A HN 0.531 nan 8.150 nan 0.000 0.443 612 K N -0.161 120.128 120.400 -0.184 0.000 2.057 612 K HA -0.141 3.755 4.320 -0.706 0.000 0.207 612 K C 1.941 178.323 176.600 -0.364 0.000 1.049 612 K CA 1.658 57.790 56.287 -0.258 0.000 0.931 612 K CB -0.192 32.173 32.500 -0.226 0.000 0.714 612 K HN 0.423 nan 8.250 nan 0.000 0.440 613 K N 0.226 120.315 120.400 -0.519 0.000 2.283 613 K HA -0.025 3.871 4.320 -0.706 0.000 0.202 613 K C 1.805 177.760 176.600 -1.074 0.000 1.048 613 K CA 0.974 56.672 56.287 -0.982 0.000 0.948 613 K CB 0.030 31.596 32.500 -1.557 0.000 0.742 613 K HN 0.177 nan 8.250 nan 0.000 0.458 614 M N 0.195 119.429 119.600 -0.609 0.000 2.556 614 M HA -0.014 4.043 4.480 -0.706 0.000 0.245 614 M C -0.173 175.983 176.300 -0.239 0.000 1.128 614 M CA 0.334 55.414 55.300 -0.367 0.000 1.069 614 M CB 0.051 32.573 32.600 -0.130 0.000 1.469 614 M HN 0.013 nan 8.290 nan 0.000 0.494 615 D N 1.682 121.928 120.400 -0.256 0.000 2.723 615 D HA -0.147 4.070 4.640 -0.706 0.000 0.236 615 D C -0.815 175.414 176.300 -0.118 0.000 1.138 615 D CA 0.433 54.322 54.000 -0.186 0.000 0.676 615 D CB -1.015 39.686 40.800 -0.164 0.000 1.069 615 D HN 0.302 nan 8.370 nan 0.000 0.430 616 L N -0.095 121.067 121.223 -0.101 0.000 2.453 616 L HA 0.298 4.214 4.340 -0.706 0.000 0.261 616 L C 1.024 177.827 176.870 -0.111 0.000 1.179 616 L CA -0.551 54.267 54.840 -0.037 0.000 0.813 616 L CB 0.410 42.520 42.059 0.085 0.000 1.110 616 L HN 0.071 nan 8.230 nan 0.000 0.466 617 D N 1.821 122.187 120.400 -0.057 0.000 2.352 617 D HA 0.161 4.377 4.640 -0.706 0.000 0.245 617 D C 0.169 176.343 176.300 -0.209 0.000 1.224 617 D CA 0.222 54.163 54.000 -0.099 0.000 0.879 617 D CB 0.762 41.551 40.800 -0.019 0.000 1.057 617 D HN 0.343 nan 8.370 nan 0.000 0.491 618 M N 3.002 122.338 119.600 -0.439 0.000 2.560 618 M HA 0.217 4.273 4.480 -0.706 0.000 0.297 618 M C 1.454 177.508 176.300 -0.410 0.000 1.201 618 M CA -0.195 54.558 55.300 -0.911 0.000 0.973 618 M CB 0.570 32.430 32.600 -1.233 0.000 1.401 618 M HN 0.218 nan 8.290 nan 0.000 0.497 619 R N 1.639 122.036 120.500 -0.172 0.000 2.200 619 R HA 0.044 3.960 4.340 -0.706 0.000 0.208 619 R C 0.185 176.504 176.300 0.031 0.000 1.033 619 R CA 0.774 56.836 56.100 -0.064 0.000 1.000 619 R CB 0.248 30.520 30.300 -0.048 0.000 0.906 619 R HN 0.317 nan 8.270 nan 0.000 0.462 620 K N -0.707 119.754 120.400 0.102 0.000 2.501 620 K HA 0.212 4.108 4.320 -0.706 0.000 0.252 620 K C 0.364 177.127 176.600 0.272 0.000 0.934 620 K CA -0.471 55.908 56.287 0.155 0.000 0.797 620 K CB 1.857 34.414 32.500 0.095 0.000 1.270 620 K HN -0.160 nan 8.250 nan 0.000 0.431 621 T N -1.509 113.177 114.554 0.220 0.000 2.803 621 T HA -0.217 3.710 4.350 -0.706 0.000 0.269 621 T C 1.744 176.493 174.700 0.082 0.000 1.052 621 T CA 1.758 63.947 62.100 0.149 0.000 1.136 621 T CB -0.528 68.374 68.868 0.057 0.000 0.864 621 T HN 0.656 nan 8.240 nan 0.000 0.467 622 S N 1.838 117.591 115.700 0.087 0.000 2.555 622 S HA -0.014 4.032 4.470 -0.706 0.000 0.230 622 S C 2.098 176.742 174.600 0.074 0.000 0.978 622 S CA 0.649 58.884 58.200 0.058 0.000 0.934 622 S CB -0.756 62.472 63.200 0.047 0.000 0.766 622 S HN 0.770 nan 8.310 nan 0.000 0.533 623 S N 1.919 117.696 115.700 0.129 0.000 2.515 623 S HA 0.156 4.202 4.470 -0.706 0.000 0.231 623 S C 1.011 175.686 174.600 0.125 0.000 0.987 623 S CA 0.320 58.605 58.200 0.141 0.000 0.936 623 S CB -1.040 62.280 63.200 0.200 0.000 0.766 623 S HN 0.649 nan 8.310 nan 0.000 0.528 624 L N 0.658 121.921 121.223 0.066 0.000 3.717 624 L HA -0.181 3.736 4.340 -0.706 0.000 0.414 624 L C 1.660 178.531 176.870 0.001 0.000 1.228 624 L CA 0.718 55.541 54.840 -0.029 0.000 0.918 624 L CB -2.583 39.471 42.059 -0.008 0.000 1.865 624 L HN 0.745 nan 8.230 nan 0.000 0.922 625 W N 0.167 121.483 121.300 0.026 0.000 2.363 625 W HA -0.162 4.074 4.660 -0.707 0.000 0.296 625 W C 1.734 178.277 176.519 0.039 0.000 1.212 625 W CA 1.373 58.736 57.345 0.030 0.000 1.260 625 W CB -0.711 28.758 29.460 0.015 0.000 1.131 625 W HN 0.270 nan 8.180 nan 0.000 0.530 626 K N 1.011 120.879 120.400 -0.887 0.000 2.063 626 K HA -0.180 3.716 4.320 -0.706 0.000 0.208 626 K C 1.531 177.980 176.600 -0.251 0.000 1.048 626 K CA 2.442 58.280 56.287 -0.748 0.000 0.928 626 K CB -0.338 31.585 32.500 -0.961 0.000 0.713 626 K HN 0.078 nan 8.250 nan 0.000 0.442 627 D N 0.449 120.733 120.400 -0.193 0.000 2.117 627 D HA -0.136 4.080 4.640 -0.706 0.000 0.198 627 D C 2.025 178.332 176.300 0.012 0.000 0.982 627 D CA 1.023 54.977 54.000 -0.076 0.000 0.828 627 D CB 0.027 40.789 40.800 -0.063 0.000 0.967 627 D HN 0.200 nan 8.370 nan 0.000 0.464 628 Q N 0.314 120.149 119.800 0.057 0.000 2.050 628 Q HA -0.095 3.821 4.340 -0.706 0.000 0.202 628 Q C 2.368 178.471 176.000 0.171 0.000 0.980 628 Q CA 1.308 57.186 55.803 0.124 0.000 0.840 628 Q CB -0.234 28.598 28.738 0.157 0.000 0.898 628 Q HN 0.290 nan 8.270 nan 0.000 0.424 629 A N 1.085 124.022 122.820 0.195 0.000 1.940 629 A HA -0.203 3.693 4.320 -0.706 0.000 0.219 629 A C 2.082 179.789 177.584 0.205 0.000 1.176 629 A CA 1.276 53.460 52.037 0.245 0.000 0.631 629 A CB -0.673 18.492 19.000 0.275 0.000 0.814 629 A HN 0.334 nan 8.150 nan 0.000 0.446 630 L N 0.010 121.304 121.223 0.119 0.000 2.012 630 L HA -0.139 3.777 4.340 -0.706 0.000 0.210 630 L C 2.431 179.356 176.870 0.091 0.000 1.073 630 L CA 2.088 56.978 54.840 0.083 0.000 0.748 630 L CB -0.542 41.523 42.059 0.010 0.000 0.891 630 L HN 0.176 nan 8.230 nan 0.000 0.431 631 V N -0.191 119.778 119.914 0.093 0.000 2.343 631 V HA -0.242 3.455 4.120 -0.706 0.000 0.247 631 V C 2.621 178.788 176.094 0.121 0.000 1.051 631 V CA 1.814 64.170 62.300 0.094 0.000 1.036 631 V CB -0.796 31.083 31.823 0.094 0.000 0.654 631 V HN 0.465 nan 8.190 nan 0.000 0.451 632 E N 0.001 120.317 120.200 0.194 0.000 2.106 632 E HA -0.135 3.791 4.350 -0.706 0.000 0.192 632 E C 2.165 178.882 176.600 0.196 0.000 0.984 632 E CA 1.221 57.785 56.400 0.272 0.000 0.806 632 E CB -0.298 29.654 29.700 0.420 0.000 0.750 632 E HN 0.584 nan 8.360 nan 0.000 0.458 633 I N 1.727 122.431 120.570 0.223 0.000 2.226 633 I HA -0.258 3.488 4.170 -0.706 0.000 0.245 633 I C 2.121 178.296 176.117 0.097 0.000 1.100 633 I CA 0.905 62.342 61.300 0.227 0.000 1.374 633 I CB -0.256 37.940 38.000 0.326 0.000 1.057 633 I HN 0.067 nan 8.210 nan 0.000 0.413 634 N N 0.726 119.465 118.700 0.064 0.000 2.270 634 N HA -0.069 4.247 4.740 -0.706 0.000 0.181 634 N C 2.023 177.517 175.510 -0.026 0.000 1.016 634 N CA 1.193 54.246 53.050 0.005 0.000 0.870 634 N CB 0.012 38.497 38.487 -0.003 0.000 0.979 634 N HN 0.338 nan 8.380 nan 0.000 0.431 635 I N 1.581 122.124 120.570 -0.045 0.000 2.163 635 I HA -0.272 3.474 4.170 -0.706 0.000 0.243 635 I C 2.480 178.461 176.117 -0.227 0.000 1.085 635 I CA 0.983 62.197 61.300 -0.143 0.000 1.347 635 I CB -0.253 37.612 38.000 -0.225 0.000 1.044 635 I HN 0.069 nan 8.210 nan 0.000 0.408 636 A N 0.241 122.883 122.820 -0.297 0.000 1.877 636 A HA -0.169 3.727 4.320 -0.706 0.000 0.216 636 A C 2.423 179.979 177.584 -0.047 0.000 1.186 636 A CA 1.870 53.716 52.037 -0.318 0.000 0.620 636 A CB -1.009 17.562 19.000 -0.714 0.000 0.822 636 A HN 0.243 nan 8.150 nan 0.000 0.443 637 V N 0.088 119.996 119.914 -0.010 0.000 2.255 637 V HA -0.289 3.407 4.120 -0.706 0.000 0.247 637 V C 2.600 178.714 176.094 0.033 0.000 1.051 637 V CA 2.134 64.456 62.300 0.037 0.000 1.018 637 V CB -0.809 30.956 31.823 -0.096 0.000 0.641 637 V HN 0.577 nan 8.190 nan 0.000 0.445 638 L N -1.314 119.896 121.223 -0.021 0.000 2.046 638 L HA -0.223 3.693 4.340 -0.706 0.000 0.208 638 L C 2.510 179.424 176.870 0.074 0.000 1.077 638 L CA 2.161 57.001 54.840 0.000 0.000 0.747 638 L CB -0.718 41.335 42.059 -0.009 0.000 0.896 638 L HN 0.457 nan 8.230 nan 0.000 0.432 639 Y N 0.387 120.646 120.300 -0.067 0.000 2.181 639 Y HA -0.255 3.871 4.550 -0.706 0.000 0.288 639 Y C 2.719 178.610 175.900 -0.015 0.000 1.146 639 Y CA 1.734 59.786 58.100 -0.079 0.000 1.164 639 Y CB -0.243 38.106 38.460 -0.186 0.000 0.982 639 Y HN 0.059 nan 8.280 nan 0.000 0.515 640 S N 0.276 115.941 115.700 -0.059 0.000 2.356 640 S HA -0.167 3.879 4.470 -0.706 0.000 0.223 640 S C 1.750 176.323 174.600 -0.044 0.000 1.032 640 S CA 1.595 59.743 58.200 -0.087 0.000 1.005 640 S CB -0.745 62.521 63.200 0.110 0.000 0.867 640 S HN 0.452 nan 8.310 nan 0.000 0.449 641 F N 1.969 121.859 119.950 -0.100 0.000 2.102 641 F HA -0.091 4.011 4.527 -0.707 0.000 0.298 641 F C 2.683 178.424 175.800 -0.099 0.000 1.105 641 F CA 1.115 59.076 58.000 -0.064 0.000 1.239 641 F CB -0.717 38.271 39.000 -0.020 0.000 0.991 641 F HN 0.214 nan 8.300 nan 0.000 0.474 642 Q N -0.706 119.131 119.800 0.062 0.000 2.124 642 Q HA -0.155 3.761 4.340 -0.706 0.000 0.202 642 Q C 2.278 178.203 176.000 -0.125 0.000 0.977 642 Q CA 1.775 57.559 55.803 -0.032 0.000 0.850 642 Q CB -0.363 28.356 28.738 -0.032 0.000 0.901 642 Q HN 0.273 nan 8.270 nan 0.000 0.429 643 S N 0.886 116.433 115.700 -0.255 0.000 2.428 643 S HA -0.082 3.964 4.470 -0.706 0.000 0.230 643 S C 0.811 175.298 174.600 -0.188 0.000 1.014 643 S CA 0.941 58.962 58.200 -0.298 0.000 0.957 643 S CB 0.042 62.904 63.200 -0.563 0.000 0.784 643 S HN 0.303 nan 8.310 nan 0.000 0.499 644 D N 0.849 121.148 120.400 -0.168 0.000 2.339 644 D HA 0.146 4.362 4.640 -0.706 0.000 0.217 644 D C -0.011 176.225 176.300 -0.106 0.000 1.050 644 D CA 0.113 54.030 54.000 -0.138 0.000 0.856 644 D CB 0.010 40.706 40.800 -0.174 0.000 0.922 644 D HN 0.263 nan 8.370 nan 0.000 0.518 645 K N -0.347 120.001 120.400 -0.087 0.000 3.096 645 K HA -0.131 3.765 4.320 -0.706 0.000 0.266 645 K C -0.809 175.763 176.600 -0.048 0.000 1.043 645 K CA 0.132 56.381 56.287 -0.062 0.000 0.758 645 K CB -1.844 30.619 32.500 -0.061 0.000 1.260 645 K HN 0.029 nan 8.250 nan 0.000 0.481 646 V N 1.307 121.207 119.914 -0.024 0.000 2.384 646 V HA 0.130 3.826 4.120 -0.706 0.000 0.287 646 V C 0.811 176.992 176.094 0.145 0.000 1.020 646 V CA -0.675 61.644 62.300 0.032 0.000 0.850 646 V CB 1.829 33.599 31.823 -0.089 0.000 0.987 646 V HN 0.246 nan 8.190 nan 0.000 0.436 647 T N 6.557 121.154 114.554 0.073 0.000 2.905 647 T HA 0.328 4.255 4.350 -0.706 0.000 0.299 647 T C -0.240 174.541 174.700 0.136 0.000 1.024 647 T CA 0.984 63.063 62.100 -0.034 0.000 1.151 647 T CB 0.009 68.724 68.868 -0.254 0.000 0.987 647 T HN 0.579 nan 8.240 nan 0.000 0.535 648 I N 2.571 123.169 120.570 0.047 0.000 2.842 648 I HA 0.574 4.321 4.170 -0.706 0.000 0.297 648 I C -1.430 174.725 176.117 0.064 0.000 1.380 648 I CA -0.967 60.391 61.300 0.097 0.000 1.018 648 I CB 1.898 39.879 38.000 -0.031 0.000 1.311 648 I HN 0.429 nan 8.210 nan 0.000 0.439 649 V N 5.698 125.707 119.914 0.158 0.000 2.555 649 V HA 0.464 4.161 4.120 -0.706 0.000 0.302 649 V C -0.870 175.273 176.094 0.082 0.000 1.038 649 V CA -0.234 62.149 62.300 0.138 0.000 0.887 649 V CB 2.103 34.087 31.823 0.268 0.000 0.991 649 V HN 0.877 nan 8.190 nan 0.000 0.434 650 D N 3.905 124.331 120.400 0.043 0.000 2.354 650 D HA 0.169 4.385 4.640 -0.706 0.000 0.247 650 D C 1.214 177.503 176.300 -0.018 0.000 1.138 650 D CA 0.095 54.101 54.000 0.010 0.000 0.958 650 D CB 0.485 41.263 40.800 -0.037 0.000 1.144 650 D HN 0.725 nan 8.370 nan 0.000 0.458 651 H N -0.324 118.674 119.070 -0.120 0.000 2.495 651 H HA -0.095 4.037 4.556 -0.707 0.000 0.287 651 H C 0.981 176.199 175.328 -0.184 0.000 1.033 651 H CA 1.085 57.025 56.048 -0.180 0.000 1.307 651 H CB -0.505 29.100 29.762 -0.262 0.000 1.401 651 H HN 0.510 nan 8.280 nan 0.000 0.555 652 H N 1.012 119.904 119.070 -0.297 0.000 2.307 652 H HA -0.085 4.048 4.556 -0.706 0.000 0.303 652 H C 2.506 177.816 175.328 -0.031 0.000 1.073 652 H CA 1.506 57.466 56.048 -0.146 0.000 1.338 652 H CB -0.262 29.380 29.762 -0.200 0.000 1.389 652 H HN 0.409 nan 8.280 nan 0.000 0.503 653 S N 0.745 116.500 115.700 0.092 0.000 2.370 653 S HA -0.144 3.902 4.470 -0.706 0.000 0.226 653 S C 2.405 177.071 174.600 0.111 0.000 1.033 653 S CA 1.297 59.550 58.200 0.088 0.000 1.011 653 S CB -0.299 62.941 63.200 0.067 0.000 0.852 653 S HN 0.459 nan 8.310 nan 0.000 0.457 654 A N 0.815 123.701 122.820 0.109 0.000 1.930 654 A HA -0.016 3.880 4.320 -0.706 0.000 0.217 654 A C 2.489 180.170 177.584 0.161 0.000 1.175 654 A CA 2.137 54.259 52.037 0.142 0.000 0.627 654 A CB -1.487 17.589 19.000 0.127 0.000 0.815 654 A HN 0.801 nan 8.150 nan 0.000 0.443 655 T N -2.206 112.429 114.554 0.134 0.000 2.857 655 T HA -0.098 3.828 4.350 -0.706 0.000 0.266 655 T C 1.741 176.570 174.700 0.215 0.000 1.048 655 T CA 1.295 63.497 62.100 0.170 0.000 1.139 655 T CB -0.298 68.639 68.868 0.115 0.000 0.874 655 T HN 0.589 nan 8.240 nan 0.000 0.455 656 E N 1.209 121.510 120.200 0.167 0.000 2.077 656 E HA -0.145 3.781 4.350 -0.706 0.000 0.193 656 E C 2.284 178.973 176.600 0.148 0.000 0.989 656 E CA 1.314 57.801 56.400 0.144 0.000 0.800 656 E CB -0.219 29.547 29.700 0.111 0.000 0.746 656 E HN 0.527 nan 8.360 nan 0.000 0.452 657 S N 0.125 115.923 115.700 0.163 0.000 2.382 657 S HA -0.135 3.911 4.470 -0.706 0.000 0.228 657 S C 1.471 176.193 174.600 0.203 0.000 1.027 657 S CA 1.008 59.304 58.200 0.161 0.000 0.991 657 S CB -0.395 62.904 63.200 0.164 0.000 0.823 657 S HN 0.370 nan 8.310 nan 0.000 0.469 658 F N 2.407 122.425 119.950 0.114 0.000 2.146 658 F HA -0.068 4.035 4.527 -0.706 0.000 0.298 658 F C 1.844 177.740 175.800 0.160 0.000 1.096 658 F CA 0.960 59.048 58.000 0.146 0.000 1.275 658 F CB -0.254 38.815 39.000 0.114 0.000 1.008 658 F HN 0.084 nan 8.300 nan 0.000 0.480 659 I N 0.850 121.495 120.570 0.125 0.000 2.208 659 I HA -0.315 3.431 4.170 -0.706 0.000 0.245 659 I C 2.432 178.527 176.117 -0.037 0.000 1.097 659 I CA 1.633 62.949 61.300 0.027 0.000 1.363 659 I CB -1.413 36.652 38.000 0.108 0.000 1.051 659 I HN 0.232 nan 8.210 nan 0.000 0.413 660 K N 0.275 120.686 120.400 0.018 0.000 2.063 660 K HA -0.281 3.615 4.320 -0.706 0.000 0.208 660 K C 2.354 178.953 176.600 -0.002 0.000 1.048 660 K CA 1.803 58.100 56.287 0.015 0.000 0.928 660 K CB -0.288 32.241 32.500 0.048 0.000 0.713 660 K HN 0.297 nan 8.250 nan 0.000 0.442 661 H N 0.443 119.441 119.070 -0.120 0.000 2.321 661 H HA -0.072 4.061 4.556 -0.706 0.000 0.300 661 H C 2.039 177.238 175.328 -0.216 0.000 1.087 661 H CA 2.359 58.314 56.048 -0.156 0.000 1.319 661 H CB -0.125 29.533 29.762 -0.173 0.000 1.379 661 H HN 0.159 nan 8.280 nan 0.000 0.501 662 M N 0.114 119.428 119.600 -0.476 0.000 2.073 662 M HA -0.209 3.847 4.480 -0.706 0.000 0.258 662 M C 2.188 178.444 176.300 -0.073 0.000 1.070 662 M CA 2.260 57.352 55.300 -0.346 0.000 1.103 662 M CB -0.155 32.282 32.600 -0.272 0.000 1.321 662 M HN 0.475 nan 8.290 nan 0.000 0.405 663 E N -0.153 120.001 120.200 -0.076 0.000 2.077 663 E HA -0.200 3.726 4.350 -0.706 0.000 0.193 663 E C 1.706 178.301 176.600 -0.008 0.000 0.989 663 E CA 1.172 57.561 56.400 -0.018 0.000 0.800 663 E CB -0.258 29.420 29.700 -0.036 0.000 0.746 663 E HN 0.494 nan 8.360 nan 0.000 0.452 664 N N 1.000 119.667 118.700 -0.054 0.000 2.036 664 N HA -0.182 4.134 4.740 -0.706 0.000 0.195 664 N C 1.684 177.148 175.510 -0.077 0.000 1.037 664 N CA 1.082 54.104 53.050 -0.047 0.000 0.855 664 N CB -0.245 38.228 38.487 -0.024 0.000 1.033 664 N HN 0.180 nan 8.380 nan 0.000 0.423 665 E N 0.004 120.086 120.200 -0.196 0.000 2.077 665 E HA -0.129 3.798 4.350 -0.706 0.000 0.193 665 E C 2.018 178.503 176.600 -0.191 0.000 0.989 665 E CA 0.715 56.963 56.400 -0.253 0.000 0.800 665 E CB -0.445 28.973 29.700 -0.471 0.000 0.746 665 E HN 0.504 nan 8.360 nan 0.000 0.452 666 Y N 1.096 121.312 120.300 -0.140 0.000 2.181 666 Y HA -0.178 3.949 4.550 -0.706 0.000 0.288 666 Y C 2.711 178.571 175.900 -0.067 0.000 1.146 666 Y CA 1.702 59.754 58.100 -0.081 0.000 1.164 666 Y CB -0.127 38.292 38.460 -0.067 0.000 0.982 666 Y HN -0.027 nan 8.280 nan 0.000 0.515 667 R N -0.005 120.538 120.500 0.072 0.000 2.066 667 R HA -0.172 3.744 4.340 -0.706 0.000 0.232 667 R C 2.250 178.545 176.300 -0.009 0.000 1.131 667 R CA 1.909 58.023 56.100 0.024 0.000 0.955 667 R CB -0.733 29.575 30.300 0.012 0.000 0.851 667 R HN 0.564 nan 8.270 nan 0.000 0.432 668 C N -1.639 117.647 119.300 -0.024 0.000 2.735 668 C HA 0.386 4.422 4.460 -0.706 0.000 0.271 668 C C 2.125 177.090 174.990 -0.041 0.000 1.281 668 C CA -0.320 58.684 59.018 -0.022 0.000 1.719 668 C CB -0.245 27.495 27.740 0.001 0.000 2.024 668 C HN 0.456 nan 8.230 nan 0.000 0.566 669 R N -0.159 120.293 120.500 -0.079 0.000 2.517 669 R HA 0.317 4.233 4.340 -0.706 0.000 0.265 669 R C 1.550 177.771 176.300 -0.131 0.000 0.921 669 R CA 0.904 56.943 56.100 -0.102 0.000 1.054 669 R CB 0.469 30.687 30.300 -0.137 0.000 1.340 669 R HN 0.618 nan 8.270 nan 0.000 0.551 670 G N -0.016 108.696 108.800 -0.147 0.000 2.157 670 G HA2 -0.172 3.364 3.960 -0.706 0.000 0.248 670 G HA3 -0.172 3.364 3.960 -0.706 0.000 0.248 670 G C 0.148 174.864 174.900 -0.307 0.000 0.979 670 G CA 0.105 45.115 45.100 -0.150 0.000 0.650 670 G HN 0.804 nan 8.290 nan 0.000 0.529 671 G N -2.386 106.058 108.800 -0.594 0.000 2.320 671 G HA2 0.537 4.074 3.960 -0.706 0.000 0.297 671 G HA3 0.537 4.074 3.960 -0.706 0.000 0.297 671 G C -0.986 173.474 174.900 -0.734 0.000 1.344 671 G CA 0.353 44.801 45.100 -1.088 0.000 0.851 671 G HN 1.808 nan 8.290 nan 0.000 0.567 672 C N 2.114 121.079 119.300 -0.558 0.000 2.789 672 C HA 0.691 4.727 4.460 -0.706 0.000 0.367 672 C C -2.555 172.344 174.990 -0.151 0.000 1.062 672 C CA -1.234 57.630 59.018 -0.256 0.000 1.297 672 C CB 0.986 28.598 27.740 -0.213 0.000 1.794 672 C HN 0.662 nan 8.230 nan 0.000 0.474 673 P HA 0.408 nan 4.420 nan 0.000 0.271 673 P C -0.664 176.541 177.300 -0.158 0.000 1.226 673 P CA 0.572 63.301 63.100 -0.618 0.000 0.765 673 P CB 1.039 32.183 31.700 -0.927 0.000 0.835 674 A N 2.554 125.355 122.820 -0.030 0.000 2.427 674 A HA 0.429 4.325 4.320 -0.706 0.000 0.298 674 A C -1.072 176.582 177.584 0.116 0.000 1.036 674 A CA -0.542 51.574 52.037 0.132 0.000 0.701 674 A CB 1.229 20.435 19.000 0.342 0.000 1.250 674 A HN 0.432 nan 8.150 nan 0.000 0.412 675 D N 2.006 122.463 120.400 0.095 0.000 2.428 675 D HA 0.150 4.366 4.640 -0.706 0.000 0.221 675 D C 0.704 177.147 176.300 0.237 0.000 1.123 675 D CA -0.451 53.637 54.000 0.146 0.000 0.869 675 D CB 0.444 41.285 40.800 0.069 0.000 1.032 675 D HN 0.607 nan 8.370 nan 0.000 0.506 676 W N 4.057 125.403 121.300 0.076 0.000 2.363 676 W HA -0.204 4.032 4.660 -0.706 0.000 0.296 676 W C 1.610 178.168 176.519 0.065 0.000 1.212 676 W CA 0.891 58.269 57.345 0.054 0.000 1.260 676 W CB 0.133 29.602 29.460 0.016 0.000 1.131 676 W HN 0.303 nan 8.180 nan 0.000 0.530 677 V N -0.317 119.896 119.914 0.499 0.000 2.392 677 V HA -0.316 3.380 4.120 -0.706 0.000 0.249 677 V C 1.573 177.790 176.094 0.204 0.000 1.059 677 V CA 2.080 64.616 62.300 0.393 0.000 1.051 677 V CB -0.935 31.120 31.823 0.387 0.000 0.658 677 V HN 0.293 nan 8.190 nan 0.000 0.455 678 W N -1.300 120.003 121.300 0.006 0.000 2.576 678 W HA 0.195 4.430 4.660 -0.708 0.000 0.275 678 W C 2.217 178.645 176.519 -0.152 0.000 1.241 678 W CA 0.112 57.425 57.345 -0.053 0.000 1.328 678 W CB -0.093 29.355 29.460 -0.020 0.000 1.092 678 W HN 0.080 nan 8.180 nan 0.000 0.586 679 I N -0.146 120.409 120.570 -0.025 0.000 2.406 679 I HA -0.078 3.668 4.170 -0.706 0.000 0.249 679 I C 0.572 176.507 176.117 -0.304 0.000 1.122 679 I CA 0.788 61.950 61.300 -0.230 0.000 1.431 679 I CB -1.416 36.373 38.000 -0.352 0.000 1.087 679 I HN -0.418 nan 8.210 nan 0.000 0.424 680 V N 4.282 123.924 119.914 -0.454 0.000 2.485 680 V HA 0.049 3.745 4.120 -0.706 0.000 0.287 680 V C -1.856 174.064 176.094 -0.291 0.000 1.022 680 V CA -0.962 61.049 62.300 -0.483 0.000 1.067 680 V CB -0.167 31.099 31.823 -0.928 0.000 0.967 680 V HN 0.128 nan 8.190 nan 0.000 0.479 681 P HA 0.118 nan 4.420 nan 0.000 0.269 681 P C -1.906 175.266 177.300 -0.213 0.000 1.217 681 P CA -1.108 61.868 63.100 -0.206 0.000 0.783 681 P CB 0.005 31.585 31.700 -0.200 0.000 0.898 682 P HA 0.038 nan 4.420 nan 0.000 0.249 682 P C -0.052 177.138 177.300 -0.183 0.000 1.241 682 P CA 0.991 63.975 63.100 -0.194 0.000 0.781 682 P CB -0.028 31.550 31.700 -0.202 0.000 1.088 683 M N -4.880 114.578 119.600 -0.237 0.000 2.575 683 M HA 0.522 4.578 4.480 -0.706 0.000 0.284 683 M C -0.302 175.885 176.300 -0.189 0.000 1.253 683 M CA -0.647 54.527 55.300 -0.209 0.000 0.861 683 M CB 1.893 34.343 32.600 -0.249 0.000 1.733 683 M HN -0.377 nan 8.290 nan 0.000 0.462 684 S N 0.570 116.214 115.700 -0.094 0.000 3.477 684 S HA -0.185 3.861 4.470 -0.706 0.000 0.357 684 S C 1.127 175.708 174.600 -0.031 0.000 1.083 684 S CA 0.942 59.127 58.200 -0.024 0.000 1.042 684 S CB -1.862 61.391 63.200 0.088 0.000 0.911 684 S HN 1.190 nan 8.310 nan 0.000 0.490 685 G N 2.024 110.785 108.800 -0.065 0.000 2.574 685 G HA2 -0.329 3.207 3.960 -0.706 0.000 0.220 685 G HA3 -0.329 3.207 3.960 -0.706 0.000 0.220 685 G C 1.428 176.257 174.900 -0.118 0.000 1.173 685 G CA 1.554 46.637 45.100 -0.028 0.000 0.772 685 G HN 1.235 nan 8.290 nan 0.000 0.585 686 S N 0.517 115.922 115.700 -0.491 0.000 2.562 686 S HA 0.086 4.132 4.470 -0.706 0.000 0.221 686 S C 2.015 176.580 174.600 -0.059 0.000 0.975 686 S CA 0.742 58.463 58.200 -0.798 0.000 0.918 686 S CB -0.324 62.101 63.200 -1.291 0.000 0.772 686 S HN 0.739 nan 8.310 nan 0.000 0.531 687 I N 0.884 121.466 120.570 0.020 0.000 3.810 687 I HA 0.284 4.030 4.170 -0.706 0.000 0.322 687 I C 0.343 176.594 176.117 0.224 0.000 1.288 687 I CA -0.362 61.020 61.300 0.138 0.000 1.143 687 I CB -0.515 37.559 38.000 0.124 0.000 1.012 687 I HN 0.206 nan 8.210 nan 0.000 0.423 688 T N -2.198 112.483 114.554 0.213 0.000 2.918 688 T HA 0.513 4.439 4.350 -0.706 0.000 0.286 688 T C -1.888 172.990 174.700 0.296 0.000 1.026 688 T CA -1.895 60.343 62.100 0.229 0.000 1.031 688 T CB 1.938 70.890 68.868 0.140 0.000 1.046 688 T HN -0.144 nan 8.240 nan 0.000 0.479 689 P HA -0.005 nan 4.420 nan 0.000 0.222 689 P C 1.842 179.351 177.300 0.348 0.000 1.153 689 P CA 0.643 63.932 63.100 0.316 0.000 0.798 689 P CB -0.406 31.421 31.700 0.212 0.000 0.796 690 V N -3.479 116.584 119.914 0.248 0.000 2.594 690 V HA -0.206 3.490 4.120 -0.706 0.000 0.253 690 V C 2.255 178.428 176.094 0.132 0.000 1.069 690 V CA 1.301 63.707 62.300 0.176 0.000 1.082 690 V CB -2.209 29.643 31.823 0.049 0.000 0.680 690 V HN -0.102 nan 8.190 nan 0.000 0.469 691 F N 1.809 121.753 119.950 -0.009 0.000 2.216 691 F HA -0.131 3.972 4.527 -0.707 0.000 0.300 691 F C 2.379 178.301 175.800 0.203 0.000 1.085 691 F CA 2.105 60.098 58.000 -0.011 0.000 1.326 691 F CB -0.317 38.578 39.000 -0.174 0.000 1.027 691 F HN 0.291 nan 8.300 nan 0.000 0.497 692 H N -1.180 118.222 119.070 0.553 0.000 2.539 692 H HA 0.121 4.253 4.556 -0.706 0.000 0.269 692 H C 0.289 175.873 175.328 0.426 0.000 0.980 692 H CA 0.144 56.484 56.048 0.486 0.000 1.152 692 H CB -0.005 30.014 29.762 0.427 0.000 1.407 692 H HN 0.230 nan 8.280 nan 0.000 0.564 693 Q N 2.124 122.210 119.800 0.476 0.000 2.331 693 Q HA 0.144 4.060 4.340 -0.706 0.000 0.257 693 Q C -0.599 175.641 176.000 0.401 0.000 0.957 693 Q CA -0.376 55.651 55.803 0.372 0.000 0.923 693 Q CB 0.727 29.649 28.738 0.308 0.000 1.212 693 Q HN 0.249 nan 8.270 nan 0.000 0.443 694 E N 3.570 123.953 120.200 0.305 0.000 2.398 694 E HA 0.260 4.187 4.350 -0.706 0.000 0.263 694 E C -0.464 176.277 176.600 0.235 0.000 1.046 694 E CA 0.295 56.834 56.400 0.232 0.000 0.908 694 E CB 0.811 30.623 29.700 0.187 0.000 0.963 694 E HN 0.588 nan 8.360 nan 0.000 0.431 695 M N 2.256 122.003 119.600 0.245 0.000 2.501 695 M HA 0.397 4.454 4.480 -0.706 0.000 0.293 695 M C -1.118 175.308 176.300 0.210 0.000 1.192 695 M CA -0.704 54.756 55.300 0.267 0.000 0.886 695 M CB 1.754 34.562 32.600 0.347 0.000 1.710 695 M HN 0.229 nan 8.290 nan 0.000 0.457 696 L N 1.964 123.327 121.223 0.234 0.000 2.313 696 L HA 0.487 4.403 4.340 -0.706 0.000 0.283 696 L C -0.501 176.469 176.870 0.167 0.000 1.013 696 L CA -0.699 54.282 54.840 0.235 0.000 0.816 696 L CB 1.394 43.654 42.059 0.336 0.000 1.236 696 L HN 0.602 nan 8.230 nan 0.000 0.419 697 N N 3.176 121.960 118.700 0.140 0.000 2.422 697 N HA 0.483 4.800 4.740 -0.706 0.000 0.266 697 N C -1.352 174.247 175.510 0.148 0.000 1.007 697 N CA -0.151 52.922 53.050 0.038 0.000 0.941 697 N CB 0.621 39.143 38.487 0.058 0.000 1.115 697 N HN 0.401 nan 8.380 nan 0.000 0.492 698 Y N -0.007 120.327 120.300 0.057 0.000 2.670 698 Y HA 0.536 4.662 4.550 -0.706 0.000 0.334 698 Y C -0.669 175.250 175.900 0.031 0.000 1.185 698 Y CA -1.423 56.708 58.100 0.051 0.000 1.053 698 Y CB 1.034 39.542 38.460 0.080 0.000 1.298 698 Y HN 0.325 nan 8.280 nan 0.000 0.459 699 R N 2.101 122.731 120.500 0.216 0.000 2.288 699 R HA 0.666 4.582 4.340 -0.706 0.000 0.326 699 R C -1.900 174.480 176.300 0.134 0.000 0.959 699 R CA -0.363 55.797 56.100 0.100 0.000 0.834 699 R CB 0.504 30.842 30.300 0.063 0.000 1.157 699 R HN 0.845 nan 8.270 nan 0.000 0.470 700 L N 3.202 124.483 121.223 0.096 0.000 2.334 700 L HA 0.568 4.484 4.340 -0.706 0.000 0.272 700 L C 0.327 177.221 176.870 0.040 0.000 1.020 700 L CA -0.989 53.906 54.840 0.091 0.000 0.812 700 L CB 2.081 44.197 42.059 0.095 0.000 1.264 700 L HN 0.713 nan 8.230 nan 0.000 0.439 701 T N -1.130 113.456 114.554 0.053 0.000 2.940 701 T HA 0.578 4.504 4.350 -0.706 0.000 0.288 701 T C -2.642 172.110 174.700 0.086 0.000 1.033 701 T CA -2.260 59.862 62.100 0.036 0.000 1.033 701 T CB 1.551 70.443 68.868 0.039 0.000 1.079 701 T HN 0.212 nan 8.240 nan 0.000 0.496 702 P HA 0.284 nan 4.420 nan 0.000 0.268 702 P C -0.537 176.681 177.300 -0.136 0.000 1.208 702 P CA -0.157 62.910 63.100 -0.056 0.000 0.777 702 P CB 0.419 32.070 31.700 -0.081 0.000 0.875 703 S N 0.488 116.054 115.700 -0.222 0.000 2.579 703 S HA 0.661 4.707 4.470 -0.706 0.000 0.272 703 S C -1.236 173.138 174.600 -0.377 0.000 1.141 703 S CA -0.806 57.253 58.200 -0.236 0.000 0.843 703 S CB 0.676 63.812 63.200 -0.107 0.000 1.122 703 S HN 0.065 nan 8.310 nan 0.000 0.468 704 F N 1.678 121.552 119.950 -0.127 0.000 2.411 704 F HA 0.581 4.684 4.527 -0.708 0.000 0.350 704 F C 0.937 176.624 175.800 -0.188 0.000 1.114 704 F CA -0.178 57.737 58.000 -0.142 0.000 1.135 704 F CB 1.117 40.000 39.000 -0.196 0.000 1.120 704 F HN 0.510 nan 8.300 nan 0.000 0.495 705 E N 2.124 122.336 120.200 0.020 0.000 2.277 705 E HA 0.269 4.195 4.350 -0.706 0.000 0.266 705 E C -1.184 175.374 176.600 -0.070 0.000 0.901 705 E CA -0.934 55.414 56.400 -0.086 0.000 0.782 705 E CB 1.818 31.504 29.700 -0.024 0.000 1.228 705 E HN 0.340 nan 8.360 nan 0.000 0.424 706 Y N 1.204 121.514 120.300 0.017 0.000 2.379 706 Y HA 0.124 4.249 4.550 -0.708 0.000 0.337 706 Y C 1.054 176.942 175.900 -0.020 0.000 1.238 706 Y CA 0.006 58.103 58.100 -0.005 0.000 1.405 706 Y CB 0.615 39.062 38.460 -0.023 0.000 1.310 706 Y HN 0.290 nan 8.280 nan 0.000 0.569 707 Q N 1.480 121.361 119.800 0.136 0.000 2.456 707 Q HA 0.658 4.575 4.340 -0.706 0.000 0.284 707 Q C -3.032 172.928 176.000 -0.067 0.000 1.061 707 Q CA -2.452 53.363 55.803 0.019 0.000 0.799 707 Q CB 1.656 30.392 28.738 -0.004 0.000 1.445 707 Q HN 0.291 nan 8.270 nan 0.000 0.411 708 P HA 0.092 nan 4.420 nan 0.000 0.269 708 P C -0.912 176.169 177.300 -0.365 0.000 1.209 708 P CA -0.056 62.917 63.100 -0.212 0.000 0.776 708 P CB 0.345 31.933 31.700 -0.186 0.000 0.876 709 D N 3.326 123.398 120.400 -0.547 0.000 2.488 709 D HA -0.017 4.199 4.640 -0.706 0.000 0.238 709 D C -1.199 174.475 176.300 -1.042 0.000 1.138 709 D CA -0.856 52.543 54.000 -1.001 0.000 0.873 709 D CB 0.333 40.163 40.800 -1.617 0.000 1.183 709 D HN 0.264 nan 8.370 nan 0.000 0.458 710 P HA -0.085 nan 4.420 nan 0.000 0.223 710 P C 1.283 178.089 177.300 -0.824 0.000 1.151 710 P CA 0.769 63.287 63.100 -0.970 0.000 0.787 710 P CB -0.115 30.770 31.700 -1.359 0.000 0.788 711 W N 0.335 121.205 121.300 -0.716 0.000 2.699 711 W HA 0.105 4.338 4.660 -0.712 0.000 0.249 711 W C 1.119 177.646 176.519 0.014 0.000 1.280 711 W CA 0.254 57.479 57.345 -0.201 0.000 1.345 711 W CB -2.004 27.496 29.460 0.068 0.000 1.128 711 W HN -0.171 nan 8.180 nan 0.000 0.642 712 N N 0.402 119.008 118.700 -0.156 0.000 2.424 712 N HA -0.040 4.277 4.740 -0.706 0.000 0.178 712 N C 1.488 176.986 175.510 -0.019 0.000 1.060 712 N CA 1.969 54.995 53.050 -0.039 0.000 0.901 712 N CB -0.249 38.149 38.487 -0.150 0.000 0.979 712 N HN 0.488 nan 8.380 nan 0.000 0.451 713 T N -3.874 110.641 114.554 -0.065 0.000 3.016 713 T HA 0.064 3.990 4.350 -0.706 0.000 0.271 713 T C 0.281 174.996 174.700 0.025 0.000 0.968 713 T CA -0.274 61.807 62.100 -0.032 0.000 0.891 713 T CB -0.220 68.600 68.868 -0.080 0.000 1.149 713 T HN 0.004 nan 8.240 nan 0.000 0.524 714 H N 3.217 122.238 119.070 -0.083 0.000 2.899 714 H HA 0.430 4.563 4.556 -0.704 0.000 0.303 714 H C 0.225 175.519 175.328 -0.056 0.000 1.042 714 H CA -0.610 55.373 56.048 -0.109 0.000 1.479 714 H CB 0.847 30.508 29.762 -0.169 0.000 1.493 714 H HN 0.267 nan 8.280 nan 0.000 0.534 715 V N 3.810 123.465 119.914 -0.432 0.000 2.338 715 V HA 0.118 3.814 4.120 -0.706 0.000 0.255 715 V C -0.104 175.636 176.094 -0.590 0.000 1.082 715 V CA -1.056 61.047 62.300 -0.330 0.000 0.951 715 V CB -0.813 30.916 31.823 -0.156 0.000 1.102 715 V HN 0.668 nan 8.190 nan 0.000 0.489 716 W N 4.563 125.638 121.300 -0.376 0.000 2.774 716 W HA 0.264 4.494 4.660 -0.716 0.000 0.353 716 W C 1.504 177.938 176.519 -0.142 0.000 1.373 716 W CA -0.012 57.193 57.345 -0.234 0.000 1.432 716 W CB 0.284 29.733 29.460 -0.018 0.000 1.545 716 W HN 0.589 nan 8.180 nan 0.000 0.531 717 K N 3.160 123.577 120.400 0.029 0.000 2.147 717 K HA -0.008 3.888 4.320 -0.706 0.000 0.205 717 K C 1.513 178.177 176.600 0.107 0.000 1.049 717 K CA 1.005 57.317 56.287 0.042 0.000 0.936 717 K CB -0.421 32.081 32.500 0.004 0.000 0.722 717 K HN 0.698 nan 8.250 nan 0.000 0.446 718 G N 0.000 108.919 108.800 0.198 0.000 5.446 718 G HA2 0.000 3.536 3.960 -0.706 0.000 0.244 718 G HA3 0.000 3.536 3.960 -0.706 0.000 0.244 718 G CA 0.000 45.190 45.100 0.151 0.000 0.502 718 G HN 0.000 nan 8.290 nan 0.000 0.925