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 3n5v_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP XXXXXXXXXX DATA SEQUENCE XTKDQLFPLA KEFLDQYYSS IKRFGSKAHM DRLEEVNKEI ESTSTYQLKD DATA SEQUENCE TELIYGAKHA WRNASRCVGR IQWSKLQVFD ARDCTTAHGM FNYICNHVKY DATA SEQUENCE ATNKGNLRSA ITIFPQRTDG KHDFRVWNSQ LIRYAGYKQP DGSTLGDPAN DATA SEQUENCE VQFTEICIQQ GWKAPRGRFD VLPLLLQANG NDPELFQIPP ELVLEVPIRH DATA SEQUENCE PKFDWFKDLG LKWYGLPAVS NMLLEIGGLE FSACPFSGWY MGTEIGVRDY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEYQP DPWNTHVW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 299 R HA 0.000 nan 4.340 nan 0.000 0.208 299 R C 0.000 176.514 176.300 0.356 0.000 0.893 299 R CA 0.000 56.247 56.100 0.245 0.000 0.921 299 R CB 0.000 30.430 30.300 0.217 0.000 0.687 300 F N 2.849 122.854 119.950 0.093 0.000 2.443 300 F HA 0.465 4.340 4.527 -1.087 0.000 0.353 300 F C 0.077 175.930 175.800 0.089 0.000 1.101 300 F CA 0.088 58.150 58.000 0.105 0.000 1.226 300 F CB 0.955 39.984 39.000 0.048 0.000 1.140 300 F HN 0.026 nan 8.300 nan 0.000 0.557 301 L N 3.787 125.131 121.223 0.203 0.000 2.381 301 L HA 0.473 4.161 4.340 -1.087 0.000 0.268 301 L C -0.560 176.374 176.870 0.107 0.000 0.997 301 L CA -0.996 53.898 54.840 0.089 0.000 0.818 301 L CB 2.303 44.313 42.059 -0.081 0.000 1.310 301 L HN 0.476 nan 8.230 nan 0.000 0.416 302 K N 2.253 122.697 120.400 0.073 0.000 2.159 302 K HA 0.623 4.291 4.320 -1.087 0.000 0.266 302 K C -0.936 175.679 176.600 0.025 0.000 0.975 302 K CA -0.646 55.670 56.287 0.048 0.000 0.865 302 K CB 2.375 34.890 32.500 0.025 0.000 1.087 302 K HN 0.400 nan 8.250 nan 0.000 0.446 303 V N -0.272 119.631 119.914 -0.019 0.000 2.540 303 V HA 0.547 4.015 4.120 -1.087 0.000 0.302 303 V C -0.687 175.348 176.094 -0.097 0.000 1.035 303 V CA -0.944 61.336 62.300 -0.034 0.000 0.873 303 V CB 1.504 33.307 31.823 -0.034 0.000 0.992 303 V HN 0.733 nan 8.190 nan 0.000 0.428 304 K N 3.507 123.859 120.400 -0.080 0.000 2.259 304 K HA 0.449 4.116 4.320 -1.087 0.000 0.252 304 K C -0.796 175.719 176.600 -0.141 0.000 0.936 304 K CA -0.703 55.458 56.287 -0.211 0.000 0.810 304 K CB 1.745 33.978 32.500 -0.445 0.000 1.143 304 K HN 0.890 nan 8.250 nan 0.000 0.427 305 N N 3.760 122.371 118.700 -0.148 0.000 2.422 305 N HA 0.102 4.190 4.740 -1.087 0.000 0.266 305 N C -0.374 175.105 175.510 -0.052 0.000 1.007 305 N CA -0.291 52.766 53.050 0.011 0.000 0.941 305 N CB 0.530 39.036 38.487 0.032 0.000 1.115 305 N HN 0.668 nan 8.380 nan 0.000 0.492 306 W N 2.086 123.463 121.300 0.128 0.000 3.139 306 W HA 0.138 4.146 4.660 -1.087 0.000 0.260 306 W C 1.813 178.371 176.519 0.066 0.000 1.312 306 W CA -0.209 57.205 57.345 0.114 0.000 1.606 306 W CB 0.482 30.041 29.460 0.165 0.000 1.118 306 W HN 0.648 nan 8.180 nan 0.000 0.675 307 E N -0.479 119.832 120.200 0.185 0.000 2.201 307 E HA -0.064 3.634 4.350 -1.087 0.000 0.193 307 E C 2.143 178.748 176.600 0.008 0.000 0.957 307 E CA 1.700 58.097 56.400 -0.005 0.000 0.858 307 E CB -0.030 29.586 29.700 -0.140 0.000 0.816 307 E HN 0.067 nan 8.360 nan 0.000 0.475 308 T N -2.800 111.765 114.554 0.018 0.000 3.054 308 T HA 0.169 3.867 4.350 -1.087 0.000 0.255 308 T C 0.101 174.778 174.700 -0.039 0.000 1.035 308 T CA 0.320 62.416 62.100 -0.007 0.000 0.941 308 T CB 0.138 69.006 68.868 0.001 0.000 1.026 308 T HN -0.033 nan 8.240 nan 0.000 0.533 309 D N 0.259 120.616 120.400 -0.071 0.000 3.039 309 D HA -0.121 3.867 4.640 -1.087 0.000 0.222 309 D C -0.323 175.887 176.300 -0.151 0.000 1.179 309 D CA 0.510 54.423 54.000 -0.144 0.000 0.880 309 D CB -1.797 38.939 40.800 -0.106 0.000 1.115 309 D HN 0.457 nan 8.370 nan 0.000 0.416 310 V N 0.644 120.486 119.914 -0.120 0.000 2.498 310 V HA 0.371 3.839 4.120 -1.087 0.000 0.279 310 V C 0.742 176.750 176.094 -0.143 0.000 1.048 310 V CA -0.558 61.676 62.300 -0.110 0.000 0.967 310 V CB 1.961 33.739 31.823 -0.075 0.000 0.988 310 V HN -0.064 nan 8.190 nan 0.000 0.473 311 V N 6.968 126.801 119.914 -0.135 0.000 2.384 311 V HA 0.509 3.977 4.120 -1.087 0.000 0.287 311 V C -0.154 175.859 176.094 -0.135 0.000 1.020 311 V CA -0.472 61.743 62.300 -0.142 0.000 0.850 311 V CB 1.418 33.168 31.823 -0.122 0.000 0.987 311 V HN 0.622 nan 8.190 nan 0.000 0.436 312 L N 3.488 124.593 121.223 -0.197 0.000 2.330 312 L HA 0.709 4.397 4.340 -1.087 0.000 0.271 312 L C 0.144 176.967 176.870 -0.079 0.000 1.013 312 L CA -0.414 54.285 54.840 -0.235 0.000 0.816 312 L CB 2.299 43.936 42.059 -0.703 0.000 1.287 312 L HN 0.547 nan 8.230 nan 0.000 0.435 313 T N -0.135 114.476 114.554 0.095 0.000 2.779 313 T HA 0.227 3.925 4.350 -1.087 0.000 0.280 313 T C -0.830 174.051 174.700 0.302 0.000 0.987 313 T CA -0.502 61.711 62.100 0.188 0.000 0.966 313 T CB 1.408 70.392 68.868 0.194 0.000 0.933 313 T HN 0.445 nan 8.240 nan 0.000 0.442 314 D N 2.132 122.690 120.400 0.265 0.000 2.233 314 D HA 0.271 4.259 4.640 -1.087 0.000 0.240 314 D C 0.606 176.897 176.300 -0.016 0.000 1.074 314 D CA -0.392 53.732 54.000 0.207 0.000 0.838 314 D CB 1.610 42.598 40.800 0.313 0.000 1.124 314 D HN 0.636 nan 8.370 nan 0.000 0.475 315 T N 1.022 115.457 114.554 -0.199 0.000 2.975 315 T HA -0.009 3.689 4.350 -1.087 0.000 0.261 315 T C 1.758 176.208 174.700 -0.417 0.000 0.984 315 T CA -0.272 61.573 62.100 -0.426 0.000 0.911 315 T CB 0.231 68.754 68.868 -0.576 0.000 1.127 315 T HN 0.227 nan 8.240 nan 0.000 0.514 316 L N 3.109 124.160 121.223 -0.287 0.000 2.131 316 L HA -0.052 3.636 4.340 -1.087 0.000 0.210 316 L C 2.628 179.249 176.870 -0.415 0.000 1.092 316 L CA 1.813 56.503 54.840 -0.250 0.000 0.759 316 L CB -0.845 41.158 42.059 -0.093 0.000 0.903 316 L HN 0.575 nan 8.230 nan 0.000 0.435 317 H N -1.054 117.559 119.070 -0.762 0.000 2.489 317 H HA -0.171 3.732 4.556 -1.087 0.000 0.295 317 H C 1.883 176.898 175.328 -0.522 0.000 1.082 317 H CA 1.650 57.005 56.048 -1.155 0.000 1.295 317 H CB -0.557 28.496 29.762 -1.181 0.000 1.380 317 H HN 0.439 nan 8.280 nan 0.000 0.548 318 L N 0.665 121.293 121.223 -0.992 0.000 2.156 318 L HA -0.075 3.613 4.340 -1.087 0.000 0.208 318 L C 2.011 178.693 176.870 -0.313 0.000 1.095 318 L CA 1.103 55.581 54.840 -0.602 0.000 0.770 318 L CB -0.243 41.492 42.059 -0.541 0.000 0.914 318 L HN 0.134 nan 8.230 nan 0.000 0.439 319 K N 0.111 120.344 120.400 -0.278 0.000 2.630 319 K HA 0.053 3.721 4.320 -1.087 0.000 0.204 319 K C 0.704 177.248 176.600 -0.093 0.000 1.024 319 K CA -0.172 56.024 56.287 -0.152 0.000 1.157 319 K CB 0.047 32.472 32.500 -0.126 0.000 0.899 319 K HN 0.077 nan 8.250 nan 0.000 0.501 320 S N -0.147 115.484 115.700 -0.116 0.000 2.580 320 S HA 0.099 3.917 4.470 -1.087 0.000 0.274 320 S C 0.889 175.488 174.600 -0.001 0.000 1.329 320 S CA -0.085 58.103 58.200 -0.019 0.000 1.036 320 S CB 1.360 64.543 63.200 -0.028 0.000 0.919 320 S HN 0.232 nan 8.310 nan 0.000 0.515 321 T N 3.236 117.808 114.554 0.030 0.000 3.168 321 T HA 0.357 4.055 4.350 -1.087 0.000 0.261 321 T C 0.214 174.925 174.700 0.019 0.000 0.931 321 T CA -0.090 62.021 62.100 0.018 0.000 0.949 321 T CB -0.277 68.602 68.868 0.017 0.000 1.229 321 T HN 0.530 nan 8.240 nan 0.000 0.504 322 L N 1.524 122.762 121.223 0.025 0.000 2.440 322 L HA 0.628 4.316 4.340 -1.087 0.000 0.262 322 L C -0.102 176.781 176.870 0.022 0.000 1.072 322 L CA -0.994 53.855 54.840 0.015 0.000 0.798 322 L CB 0.848 42.907 42.059 -0.000 0.000 1.307 322 L HN 0.131 nan 8.230 nan 0.000 0.475 323 E N -1.057 119.151 120.200 0.012 0.000 2.214 323 E HA 0.194 3.892 4.350 -1.087 0.000 0.274 323 E C 0.128 176.736 176.600 0.013 0.000 0.977 323 E CA -0.190 56.219 56.400 0.016 0.000 0.827 323 E CB 1.649 31.357 29.700 0.013 0.000 1.130 323 E HN 0.672 nan 8.360 nan 0.000 0.394 324 T N -0.756 113.811 114.554 0.022 0.000 3.043 324 T HA 0.165 3.863 4.350 -1.087 0.000 0.263 324 T C 1.464 176.171 174.700 0.013 0.000 1.094 324 T CA 0.448 62.559 62.100 0.019 0.000 1.127 324 T CB 0.081 68.971 68.868 0.037 0.000 0.905 324 T HN 0.777 nan 8.240 nan 0.000 0.490 325 G N 0.478 109.289 108.800 0.017 0.000 2.317 325 G HA2 -0.269 3.039 3.960 -1.087 0.000 0.227 325 G HA3 -0.269 3.039 3.960 -1.087 0.000 0.227 325 G C 0.425 175.342 174.900 0.028 0.000 1.042 325 G CA -0.189 44.924 45.100 0.021 0.000 0.623 325 G HN 0.750 nan 8.290 nan 0.000 0.509 326 C N 1.771 121.088 119.300 0.029 0.000 2.580 326 C HA 0.775 4.583 4.460 -1.087 0.000 0.371 326 C C 1.191 176.199 174.990 0.030 0.000 1.308 326 C CA 0.740 59.776 59.018 0.030 0.000 2.428 326 C CB 0.797 28.553 27.740 0.026 0.000 2.529 326 C HN 1.091 nan 8.230 nan 0.000 0.657 327 T N -1.516 113.058 114.554 0.033 0.000 2.804 327 T HA 0.404 4.102 4.350 -1.087 0.000 0.290 327 T C 0.252 174.953 174.700 0.001 0.000 1.099 327 T CA -0.522 61.595 62.100 0.029 0.000 1.011 327 T CB 1.073 69.980 68.868 0.065 0.000 1.291 327 T HN 0.553 nan 8.240 nan 0.000 0.523 328 E N -0.384 119.785 120.200 -0.053 0.000 2.347 328 E HA 0.001 3.699 4.350 -1.087 0.000 0.196 328 E C 1.613 178.115 176.600 -0.164 0.000 1.008 328 E CA 0.940 57.263 56.400 -0.128 0.000 0.852 328 E CB -0.199 29.381 29.700 -0.201 0.000 0.783 328 E HN 0.566 nan 8.360 nan 0.000 0.505 329 H N -0.569 118.504 119.070 0.005 0.000 2.465 329 H HA 0.321 4.225 4.556 -1.087 0.000 0.289 329 H C 0.430 175.760 175.328 0.004 0.000 1.022 329 H CA 0.553 56.603 56.048 0.004 0.000 1.340 329 H CB 0.737 30.502 29.762 0.005 0.000 1.437 329 H HN 0.159 nan 8.280 nan 0.000 0.539 330 I N 0.013 120.653 120.570 0.118 0.000 2.644 330 I HA 0.205 3.723 4.170 -1.087 0.000 0.291 330 I C -1.140 175.004 176.117 0.044 0.000 1.180 330 I CA -0.738 60.605 61.300 0.071 0.000 1.040 330 I CB 1.917 39.957 38.000 0.067 0.000 1.255 330 I HN -0.029 nan 8.210 nan 0.000 0.422 331 C N 7.769 127.087 119.300 0.030 0.000 2.347 331 C HA 0.532 4.340 4.460 -1.087 0.000 0.353 331 C C 0.833 175.842 174.990 0.032 0.000 1.273 331 C CA -0.419 58.613 59.018 0.024 0.000 1.861 331 C CB 0.266 28.012 27.740 0.009 0.000 2.420 331 C HN 0.915 nan 8.230 nan 0.000 0.542 332 M N 4.868 124.490 119.600 0.037 0.000 2.589 332 M HA 0.194 4.021 4.480 -1.087 0.000 0.344 332 M C 1.823 178.158 176.300 0.058 0.000 1.168 332 M CA 0.045 55.373 55.300 0.047 0.000 0.956 332 M CB 0.210 32.837 32.600 0.044 0.000 1.370 332 M HN 1.001 nan 8.290 nan 0.000 0.518 333 G N 1.060 109.895 108.800 0.058 0.000 2.499 333 G HA2 -0.222 3.085 3.960 -1.087 0.000 0.221 333 G HA3 -0.222 3.085 3.960 -1.087 0.000 0.221 333 G C 1.486 176.462 174.900 0.127 0.000 1.109 333 G CA 1.559 46.708 45.100 0.081 0.000 0.749 333 G HN 0.577 nan 8.290 nan 0.000 0.568 334 S N -0.313 115.457 115.700 0.115 0.000 2.535 334 S HA 0.307 4.125 4.470 -1.087 0.000 0.214 334 S C 0.892 175.588 174.600 0.160 0.000 0.980 334 S CA -0.576 57.712 58.200 0.147 0.000 0.907 334 S CB 0.076 63.340 63.200 0.106 0.000 0.790 334 S HN 0.102 nan 8.310 nan 0.000 0.510 335 I N 2.577 123.227 120.570 0.133 0.000 2.533 335 I HA 0.124 3.642 4.170 -1.087 0.000 0.284 335 I C 1.670 177.895 176.117 0.181 0.000 1.109 335 I CA 0.088 61.468 61.300 0.132 0.000 1.412 335 I CB 0.184 38.239 38.000 0.092 0.000 1.396 335 I HN 0.290 nan 8.210 nan 0.000 0.543 336 M N 5.855 125.587 119.600 0.220 0.000 2.117 336 M HA -0.048 3.780 4.480 -1.087 0.000 0.262 336 M C 0.306 176.758 176.300 0.255 0.000 1.065 336 M CA 1.703 57.188 55.300 0.308 0.000 1.114 336 M CB -0.044 32.749 32.600 0.322 0.000 1.361 336 M HN 0.439 nan 8.290 nan 0.000 0.408 337 L N 0.539 121.877 121.223 0.191 0.000 2.427 337 L HA 0.488 4.175 4.340 -1.087 0.000 0.264 337 L C -2.506 174.415 176.870 0.085 0.000 0.989 337 L CA -1.508 53.428 54.840 0.159 0.000 0.865 337 L CB 0.406 42.589 42.059 0.208 0.000 1.209 337 L HN -0.018 nan 8.230 nan 0.000 0.430 351 K N 0.310 120.732 120.400 0.037 0.000 2.160 351 K HA -0.162 3.506 4.320 -1.087 0.000 0.206 351 K C 1.046 177.682 176.600 0.059 0.000 1.047 351 K CA 1.745 58.056 56.287 0.040 0.000 0.930 351 K CB -0.080 32.426 32.500 0.010 0.000 0.720 351 K HN 0.439 nan 8.250 nan 0.000 0.450 352 D N 0.494 120.924 120.400 0.051 0.000 2.234 352 D HA -0.076 3.911 4.640 -1.087 0.000 0.205 352 D C 1.836 178.181 176.300 0.074 0.000 0.962 352 D CA 0.970 55.007 54.000 0.063 0.000 0.855 352 D CB 0.134 40.958 40.800 0.041 0.000 0.951 352 D HN 0.277 nan 8.370 nan 0.000 0.500 353 Q N -0.366 119.472 119.800 0.063 0.000 2.163 353 Q HA 0.011 3.698 4.340 -1.087 0.000 0.198 353 Q C 1.903 177.947 176.000 0.073 0.000 0.954 353 Q CA 0.296 56.133 55.803 0.056 0.000 0.851 353 Q CB 0.187 28.949 28.738 0.039 0.000 0.928 353 Q HN 0.137 nan 8.270 nan 0.000 0.459 354 L N -0.117 121.165 121.223 0.099 0.000 2.072 354 L HA -0.067 3.621 4.340 -1.087 0.000 0.205 354 L C 1.922 178.890 176.870 0.164 0.000 1.079 354 L CA 1.480 56.399 54.840 0.132 0.000 0.752 354 L CB -0.520 41.630 42.059 0.152 0.000 0.906 354 L HN 0.110 nan 8.230 nan 0.000 0.436 355 F N 1.196 121.143 119.950 -0.006 0.000 2.102 355 F HA -0.056 3.818 4.527 -1.088 0.000 0.298 355 F C -0.550 175.240 175.800 -0.017 0.000 1.105 355 F CA 1.055 59.031 58.000 -0.040 0.000 1.239 355 F CB -1.784 37.187 39.000 -0.050 0.000 0.991 355 F HN 0.150 nan 8.300 nan 0.000 0.474 356 P HA -0.191 nan 4.420 nan 0.000 0.215 356 P C 2.238 179.459 177.300 -0.131 0.000 1.157 356 P CA 1.822 64.817 63.100 -0.176 0.000 0.868 356 P CB -0.172 31.500 31.700 -0.047 0.000 0.788 357 L N -0.982 120.222 121.223 -0.032 0.000 2.013 357 L HA -0.249 3.439 4.340 -1.087 0.000 0.212 357 L C 2.533 179.440 176.870 0.061 0.000 1.073 357 L CA 1.917 56.773 54.840 0.027 0.000 0.753 357 L CB -1.359 40.732 42.059 0.053 0.000 0.890 357 L HN -0.032 nan 8.230 nan 0.000 0.432 358 A N 0.073 122.906 122.820 0.023 0.000 1.858 358 A HA -0.275 3.393 4.320 -1.087 0.000 0.216 358 A C 2.390 179.962 177.584 -0.020 0.000 1.190 358 A CA 2.107 54.167 52.037 0.040 0.000 0.617 358 A CB -0.550 18.349 19.000 -0.168 0.000 0.827 358 A HN 0.335 nan 8.150 nan 0.000 0.443 359 K N -0.323 119.890 120.400 -0.312 0.000 2.044 359 K HA -0.252 3.416 4.320 -1.087 0.000 0.210 359 K C 2.173 178.726 176.600 -0.078 0.000 1.049 359 K CA 1.907 58.002 56.287 -0.320 0.000 0.927 359 K CB -0.207 31.941 32.500 -0.588 0.000 0.713 359 K HN 0.627 nan 8.250 nan 0.000 0.443 360 E N -0.188 119.992 120.200 -0.033 0.000 2.038 360 E HA -0.234 3.463 4.350 -1.087 0.000 0.195 360 E C 1.967 178.644 176.600 0.127 0.000 1.000 360 E CA 1.546 57.974 56.400 0.046 0.000 0.803 360 E CB -0.269 29.458 29.700 0.045 0.000 0.750 360 E HN 0.382 nan 8.360 nan 0.000 0.448 361 F N 1.507 121.486 119.950 0.047 0.000 2.095 361 F HA -0.180 3.696 4.527 -1.086 0.000 0.298 361 F C 2.138 178.021 175.800 0.139 0.000 1.104 361 F CA 1.458 59.521 58.000 0.104 0.000 1.232 361 F CB -0.379 38.697 39.000 0.126 0.000 0.987 361 F HN -0.003 nan 8.300 nan 0.000 0.475 362 L N 0.000 121.227 121.223 0.005 0.000 2.083 362 L HA -0.221 3.466 4.340 -1.087 0.000 0.209 362 L C 2.134 179.006 176.870 0.003 0.000 1.083 362 L CA 1.431 56.266 54.840 -0.008 0.000 0.752 362 L CB -0.901 41.264 42.059 0.176 0.000 0.899 362 L HN 0.101 nan 8.230 nan 0.000 0.433 363 D N -0.109 120.324 120.400 0.055 0.000 2.104 363 D HA -0.240 3.748 4.640 -1.087 0.000 0.194 363 D C 2.253 178.587 176.300 0.058 0.000 0.994 363 D CA 1.593 55.658 54.000 0.109 0.000 0.830 363 D CB -0.206 40.739 40.800 0.242 0.000 0.959 363 D HN 0.522 nan 8.370 nan 0.000 0.452 364 Q N -0.589 119.195 119.800 -0.027 0.000 2.079 364 Q HA -0.227 3.461 4.340 -1.087 0.000 0.200 364 Q C 2.221 178.058 176.000 -0.271 0.000 0.974 364 Q CA 1.007 56.763 55.803 -0.079 0.000 0.840 364 Q CB -0.768 27.960 28.738 -0.017 0.000 0.898 364 Q HN 0.368 nan 8.270 nan 0.000 0.430 365 Y N 0.833 120.733 120.300 -0.667 0.000 2.053 365 Y HA -0.313 3.585 4.550 -1.086 0.000 0.277 365 Y C 1.744 177.206 175.900 -0.731 0.000 1.159 365 Y CA 1.876 59.324 58.100 -1.087 0.000 1.125 365 Y CB -0.714 37.014 38.460 -1.219 0.000 0.969 365 Y HN 0.140 nan 8.280 nan 0.000 0.492 366 Y N -0.673 119.183 120.300 -0.740 0.000 2.352 366 Y HA -0.186 3.711 4.550 -1.087 0.000 0.292 366 Y C 3.064 178.686 175.900 -0.463 0.000 1.136 366 Y CA 1.681 59.342 58.100 -0.732 0.000 1.227 366 Y CB -0.680 37.234 38.460 -0.910 0.000 0.991 366 Y HN 0.235 nan 8.280 nan 0.000 0.545 367 S N -0.557 115.061 115.700 -0.137 0.000 2.368 367 S HA -0.201 3.616 4.470 -1.087 0.000 0.225 367 S C 2.361 176.863 174.600 -0.162 0.000 1.030 367 S CA 1.568 59.751 58.200 -0.028 0.000 0.999 367 S CB -0.619 62.579 63.200 -0.003 0.000 0.844 367 S HN 0.601 nan 8.310 nan 0.000 0.459 368 S N 1.918 117.457 115.700 -0.269 0.000 2.423 368 S HA -0.053 3.765 4.470 -1.087 0.000 0.231 368 S C 1.667 176.125 174.600 -0.236 0.000 1.014 368 S CA 1.054 59.136 58.200 -0.197 0.000 0.965 368 S CB -0.993 62.146 63.200 -0.102 0.000 0.785 368 S HN 0.807 nan 8.310 nan 0.000 0.495 369 I N -2.227 118.089 120.570 -0.423 0.000 3.810 369 I HA 0.397 3.915 4.170 -1.087 0.000 0.322 369 I C 0.274 176.271 176.117 -0.199 0.000 1.288 369 I CA -0.427 60.670 61.300 -0.339 0.000 1.143 369 I CB -0.554 37.135 38.000 -0.518 0.000 1.012 369 I HN 0.018 nan 8.210 nan 0.000 0.423 370 K N 1.371 121.684 120.400 -0.144 0.000 3.160 370 K HA -0.191 3.477 4.320 -1.087 0.000 0.280 370 K C 0.654 177.241 176.600 -0.021 0.000 1.154 370 K CA 0.712 56.962 56.287 -0.062 0.000 0.822 370 K CB -1.344 31.129 32.500 -0.045 0.000 1.239 370 K HN 0.563 nan 8.250 nan 0.000 0.489 371 R N 0.134 120.619 120.500 -0.024 0.000 2.577 371 R HA 0.161 3.849 4.340 -1.087 0.000 0.344 371 R C -0.005 176.356 176.300 0.102 0.000 1.037 371 R CA -0.450 55.684 56.100 0.057 0.000 1.102 371 R CB 0.252 30.612 30.300 0.100 0.000 1.313 371 R HN 0.101 nan 8.270 nan 0.000 0.561 372 F N 0.911 120.832 119.950 -0.048 0.000 2.607 372 F HA 0.053 3.928 4.527 -1.087 0.000 0.374 372 F C 1.480 177.349 175.800 0.114 0.000 1.104 372 F CA 1.834 59.823 58.000 -0.018 0.000 1.296 372 F CB 0.711 39.686 39.000 -0.042 0.000 1.085 372 F HN 0.416 nan 8.300 nan 0.000 0.584 373 G N 3.487 112.193 108.800 -0.157 0.000 2.203 373 G HA2 -0.291 3.017 3.960 -1.087 0.000 0.263 373 G HA3 -0.291 3.017 3.960 -1.087 0.000 0.263 373 G C 0.183 175.054 174.900 -0.049 0.000 1.012 373 G CA 0.462 45.490 45.100 -0.121 0.000 0.749 373 G HN 1.130 nan 8.290 nan 0.000 0.512 374 S N -1.496 114.197 115.700 -0.011 0.000 2.707 374 S HA 0.617 4.435 4.470 -1.087 0.000 0.276 374 S C 1.329 175.888 174.600 -0.067 0.000 1.179 374 S CA 0.257 58.448 58.200 -0.014 0.000 0.992 374 S CB 1.914 65.134 63.200 0.033 0.000 1.030 374 S HN 0.324 nan 8.310 nan 0.000 0.554 375 K N 0.320 120.691 120.400 -0.048 0.000 2.057 375 K HA -0.089 3.579 4.320 -1.087 0.000 0.207 375 K C 2.291 178.845 176.600 -0.076 0.000 1.049 375 K CA 1.288 57.536 56.287 -0.065 0.000 0.931 375 K CB -0.885 31.593 32.500 -0.037 0.000 0.714 375 K HN 0.751 nan 8.250 nan 0.000 0.440 376 A N 0.581 123.383 122.820 -0.029 0.000 1.908 376 A HA -0.257 3.411 4.320 -1.087 0.000 0.218 376 A C 2.008 179.463 177.584 -0.215 0.000 1.181 376 A CA 1.884 53.919 52.037 -0.004 0.000 0.627 376 A CB -1.000 18.087 19.000 0.146 0.000 0.818 376 A HN 0.608 nan 8.150 nan 0.000 0.445 377 H N -1.075 117.641 119.070 -0.590 0.000 2.267 377 H HA -0.158 3.745 4.556 -1.087 0.000 0.297 377 H C 2.083 177.035 175.328 -0.626 0.000 1.080 377 H CA 1.745 57.118 56.048 -1.126 0.000 1.278 377 H CB -0.096 29.175 29.762 -0.818 0.000 1.365 377 H HN 0.353 nan 8.280 nan 0.000 0.489 378 M N 0.765 120.101 119.600 -0.441 0.000 2.159 378 M HA -0.149 3.679 4.480 -1.087 0.000 0.263 378 M C 1.631 177.790 176.300 -0.234 0.000 1.063 378 M CA 1.083 56.145 55.300 -0.396 0.000 1.110 378 M CB -0.685 31.742 32.600 -0.288 0.000 1.374 378 M HN 0.364 nan 8.290 nan 0.000 0.411 379 D N -0.027 120.271 120.400 -0.169 0.000 2.117 379 D HA -0.144 3.844 4.640 -1.087 0.000 0.198 379 D C 2.079 178.339 176.300 -0.067 0.000 0.982 379 D CA 1.132 55.076 54.000 -0.094 0.000 0.828 379 D CB -0.308 40.458 40.800 -0.055 0.000 0.967 379 D HN 0.278 nan 8.370 nan 0.000 0.464 380 R N 0.381 120.834 120.500 -0.079 0.000 2.096 380 R HA -0.079 3.608 4.340 -1.087 0.000 0.235 380 R C 2.138 178.436 176.300 -0.004 0.000 1.127 380 R CA 0.730 56.826 56.100 -0.006 0.000 0.968 380 R CB -0.581 29.744 30.300 0.042 0.000 0.861 380 R HN 0.051 nan 8.270 nan 0.000 0.440 381 L N 0.717 121.898 121.223 -0.070 0.000 2.046 381 L HA -0.083 3.605 4.340 -1.087 0.000 0.208 381 L C 2.236 179.137 176.870 0.052 0.000 1.077 381 L CA 2.025 56.856 54.840 -0.015 0.000 0.747 381 L CB -0.555 41.419 42.059 -0.142 0.000 0.896 381 L HN 0.273 nan 8.230 nan 0.000 0.432 382 E N -0.442 119.744 120.200 -0.023 0.000 2.077 382 E HA -0.268 3.430 4.350 -1.087 0.000 0.193 382 E C 2.156 178.729 176.600 -0.044 0.000 0.989 382 E CA 1.468 57.844 56.400 -0.041 0.000 0.800 382 E CB -0.124 29.541 29.700 -0.059 0.000 0.746 382 E HN 0.505 nan 8.360 nan 0.000 0.452 383 E N -0.577 119.611 120.200 -0.020 0.000 2.085 383 E HA -0.181 3.517 4.350 -1.087 0.000 0.194 383 E C 1.919 178.518 176.600 -0.002 0.000 0.994 383 E CA 1.510 57.908 56.400 -0.003 0.000 0.801 383 E CB 0.080 29.795 29.700 0.026 0.000 0.743 383 E HN 0.199 nan 8.360 nan 0.000 0.453 384 V N 1.823 121.738 119.914 0.001 0.000 2.453 384 V HA -0.214 3.254 4.120 -1.087 0.000 0.247 384 V C 2.395 178.424 176.094 -0.109 0.000 1.048 384 V CA 1.733 63.998 62.300 -0.058 0.000 1.049 384 V CB -0.711 31.017 31.823 -0.158 0.000 0.672 384 V HN 0.423 nan 8.190 nan 0.000 0.457 385 N N 0.671 119.297 118.700 -0.123 0.000 2.120 385 N HA -0.209 3.878 4.740 -1.087 0.000 0.188 385 N C 1.840 177.163 175.510 -0.312 0.000 1.024 385 N CA 1.429 54.200 53.050 -0.465 0.000 0.852 385 N CB -0.017 38.083 38.487 -0.644 0.000 1.003 385 N HN 0.473 nan 8.380 nan 0.000 0.424 386 K N 0.511 120.806 120.400 -0.175 0.000 2.283 386 K HA -0.129 3.539 4.320 -1.087 0.000 0.202 386 K C 1.768 178.322 176.600 -0.076 0.000 1.048 386 K CA 0.764 56.981 56.287 -0.117 0.000 0.948 386 K CB 0.007 32.462 32.500 -0.074 0.000 0.742 386 K HN 0.391 nan 8.250 nan 0.000 0.458 387 E N 1.063 121.233 120.200 -0.051 0.000 2.122 387 E HA -0.060 3.638 4.350 -1.087 0.000 0.190 387 E C 1.894 178.502 176.600 0.013 0.000 0.977 387 E CA 0.311 56.715 56.400 0.007 0.000 0.820 387 E CB 0.146 29.887 29.700 0.067 0.000 0.770 387 E HN 0.166 nan 8.360 nan 0.000 0.462 388 I N 1.307 121.862 120.570 -0.025 0.000 2.133 388 I HA -0.220 3.298 4.170 -1.087 0.000 0.238 388 I C 2.416 178.509 176.117 -0.040 0.000 1.074 388 I CA 0.982 62.275 61.300 -0.011 0.000 1.342 388 I CB -0.192 37.780 38.000 -0.047 0.000 1.053 388 I HN 0.082 nan 8.210 nan 0.000 0.404 389 E N 0.215 120.354 120.200 -0.102 0.000 2.273 389 E HA -0.227 3.471 4.350 -1.087 0.000 0.198 389 E C 2.163 178.733 176.600 -0.050 0.000 1.002 389 E CA 1.512 57.859 56.400 -0.089 0.000 0.828 389 E CB -0.100 29.523 29.700 -0.128 0.000 0.747 389 E HN 0.428 nan 8.360 nan 0.000 0.491 390 S N -0.737 114.941 115.700 -0.037 0.000 2.517 390 S HA -0.048 3.770 4.470 -1.087 0.000 0.228 390 S C 1.954 176.552 174.600 -0.003 0.000 1.060 390 S CA 1.227 59.416 58.200 -0.019 0.000 0.937 390 S CB -0.024 63.166 63.200 -0.018 0.000 0.840 390 S HN 0.295 nan 8.310 nan 0.000 0.546 391 T N -0.659 113.901 114.554 0.010 0.000 3.086 391 T HA 0.251 3.949 4.350 -1.087 0.000 0.250 391 T C 0.999 175.714 174.700 0.025 0.000 1.074 391 T CA 1.116 63.228 62.100 0.020 0.000 0.988 391 T CB -0.336 68.550 68.868 0.031 0.000 0.988 391 T HN 1.014 nan 8.240 nan 0.000 0.530 392 S N -1.250 114.466 115.700 0.026 0.000 2.981 392 S HA -0.220 3.598 4.470 -1.087 0.000 0.274 392 S C 0.434 175.067 174.600 0.056 0.000 1.297 392 S CA 1.417 59.636 58.200 0.033 0.000 1.266 392 S CB -2.874 60.339 63.200 0.021 0.000 1.542 392 S HN 1.042 nan 8.310 nan 0.000 0.674 393 T N -0.206 114.397 114.554 0.080 0.000 2.612 393 T HA 0.698 4.395 4.350 -1.087 0.000 0.296 393 T C -1.650 173.191 174.700 0.235 0.000 1.148 393 T CA 0.035 62.208 62.100 0.121 0.000 1.077 393 T CB 1.215 70.093 68.868 0.018 0.000 1.591 393 T HN 1.328 nan 8.240 nan 0.000 0.479 394 Y N -0.757 119.544 120.300 0.002 0.000 2.779 394 Y HA 0.761 4.660 4.550 -1.085 0.000 0.340 394 Y C -1.996 173.917 175.900 0.022 0.000 1.252 394 Y CA -1.210 56.903 58.100 0.022 0.000 1.072 394 Y CB 0.863 39.353 38.460 0.051 0.000 1.343 394 Y HN 0.454 nan 8.280 nan 0.000 0.450 395 Q N 2.175 121.980 119.800 0.007 0.000 2.353 395 Q HA 0.496 4.184 4.340 -1.087 0.000 0.268 395 Q C -1.224 174.787 176.000 0.017 0.000 1.045 395 Q CA -0.818 54.943 55.803 -0.070 0.000 0.811 395 Q CB 3.055 31.805 28.738 0.019 0.000 1.305 395 Q HN 0.795 nan 8.270 nan 0.000 0.447 396 L N 2.261 123.461 121.223 -0.037 0.000 2.349 396 L HA 0.248 3.936 4.340 -1.087 0.000 0.275 396 L C 0.725 177.625 176.870 0.051 0.000 1.115 396 L CA -0.567 54.307 54.840 0.056 0.000 0.820 396 L CB 0.370 42.447 42.059 0.029 0.000 1.135 396 L HN 0.187 nan 8.230 nan 0.000 0.445 397 K N 1.876 122.312 120.400 0.061 0.000 2.380 397 K HA -0.004 3.664 4.320 -1.087 0.000 0.267 397 K C 0.596 177.187 176.600 -0.016 0.000 0.990 397 K CA -0.180 56.120 56.287 0.022 0.000 0.946 397 K CB 0.552 33.060 32.500 0.013 0.000 0.937 397 K HN 0.495 nan 8.250 nan 0.000 0.491 398 D N 1.021 121.411 120.400 -0.018 0.000 2.116 398 D HA -0.177 3.811 4.640 -1.087 0.000 0.193 398 D C 1.709 177.988 176.300 -0.035 0.000 0.998 398 D CA 2.309 56.291 54.000 -0.032 0.000 0.836 398 D CB -0.228 40.560 40.800 -0.021 0.000 0.951 398 D HN 0.741 nan 8.370 nan 0.000 0.449 399 T N -0.576 113.955 114.554 -0.038 0.000 2.720 399 T HA -0.184 3.514 4.350 -1.087 0.000 0.268 399 T C 1.824 176.454 174.700 -0.116 0.000 1.037 399 T CA 1.367 63.444 62.100 -0.038 0.000 1.144 399 T CB -0.438 68.420 68.868 -0.018 0.000 0.864 399 T HN 0.255 nan 8.240 nan 0.000 0.444 400 E N 0.925 120.974 120.200 -0.253 0.000 2.106 400 E HA 0.050 3.748 4.350 -1.087 0.000 0.192 400 E C 2.146 178.818 176.600 0.120 0.000 0.984 400 E CA 0.832 57.109 56.400 -0.205 0.000 0.806 400 E CB -0.319 29.330 29.700 -0.085 0.000 0.750 400 E HN 0.344 nan 8.360 nan 0.000 0.458 401 L N 1.163 122.392 121.223 0.010 0.000 2.012 401 L HA -0.190 3.498 4.340 -1.087 0.000 0.210 401 L C 2.106 178.961 176.870 -0.025 0.000 1.073 401 L CA 1.601 56.405 54.840 -0.061 0.000 0.748 401 L CB -0.176 41.805 42.059 -0.130 0.000 0.891 401 L HN 0.105 nan 8.230 nan 0.000 0.431 402 I N -1.753 118.829 120.570 0.019 0.000 2.179 402 I HA -0.337 3.180 4.170 -1.087 0.000 0.242 402 I C 2.379 178.601 176.117 0.173 0.000 1.088 402 I CA 1.711 63.041 61.300 0.051 0.000 1.357 402 I CB -0.461 37.566 38.000 0.045 0.000 1.051 402 I HN 0.370 nan 8.210 nan 0.000 0.409 403 Y N 1.632 122.014 120.300 0.137 0.000 2.165 403 Y HA -0.222 3.676 4.550 -1.087 0.000 0.286 403 Y C 2.371 178.475 175.900 0.340 0.000 1.155 403 Y CA 1.745 60.017 58.100 0.287 0.000 1.164 403 Y CB -0.759 37.865 38.460 0.274 0.000 0.978 403 Y HN 0.096 nan 8.280 nan 0.000 0.513 404 G N -0.289 108.706 108.800 0.325 0.000 2.422 404 G HA2 -0.241 3.067 3.960 -1.087 0.000 0.218 404 G HA3 -0.241 3.067 3.960 -1.087 0.000 0.218 404 G C 1.769 176.644 174.900 -0.043 0.000 1.146 404 G CA 0.891 46.072 45.100 0.135 0.000 0.769 404 G HN 0.611 nan 8.290 nan 0.000 0.547 405 A N 0.575 123.368 122.820 -0.045 0.000 1.929 405 A HA 0.092 3.760 4.320 -1.087 0.000 0.216 405 A C 2.289 179.909 177.584 0.060 0.000 1.176 405 A CA 1.766 53.763 52.037 -0.068 0.000 0.628 405 A CB -0.266 18.703 19.000 -0.053 0.000 0.816 405 A HN 0.348 nan 8.150 nan 0.000 0.444 406 K N -1.366 119.114 120.400 0.134 0.000 2.097 406 K HA -0.121 3.547 4.320 -1.087 0.000 0.205 406 K C 1.860 178.521 176.600 0.102 0.000 1.050 406 K CA 1.546 57.990 56.287 0.262 0.000 0.938 406 K CB -0.235 32.456 32.500 0.319 0.000 0.718 406 K HN 0.639 nan 8.250 nan 0.000 0.442 407 H N -0.201 118.797 119.070 -0.121 0.000 2.470 407 H HA 0.064 3.968 4.556 -1.088 0.000 0.289 407 H C 1.832 177.033 175.328 -0.212 0.000 1.033 407 H CA 1.041 56.909 56.048 -0.300 0.000 1.331 407 H CB 0.052 29.529 29.762 -0.475 0.000 1.414 407 H HN 0.226 nan 8.280 nan 0.000 0.545 408 A N 0.387 123.128 122.820 -0.132 0.000 1.933 408 A HA -0.208 3.460 4.320 -1.087 0.000 0.218 408 A C 2.008 179.596 177.584 0.008 0.000 1.175 408 A CA 1.504 53.348 52.037 -0.321 0.000 0.628 408 A CB -0.857 17.548 19.000 -0.992 0.000 0.814 408 A HN 0.603 nan 8.150 nan 0.000 0.444 409 W N 0.729 122.024 121.300 -0.008 0.000 2.407 409 W HA -0.061 3.949 4.660 -1.083 0.000 0.305 409 W C 2.335 178.825 176.519 -0.048 0.000 1.196 409 W CA 1.314 58.707 57.345 0.080 0.000 1.311 409 W CB -0.735 28.770 29.460 0.074 0.000 1.135 409 W HN 0.342 nan 8.180 nan 0.000 0.514 410 R N 0.318 120.730 120.500 -0.146 0.000 2.133 410 R HA -0.211 3.477 4.340 -1.087 0.000 0.247 410 R C 1.445 177.567 176.300 -0.297 0.000 1.151 410 R CA 1.920 57.695 56.100 -0.540 0.000 0.971 410 R CB -0.537 29.045 30.300 -1.197 0.000 0.866 410 R HN 0.139 nan 8.270 nan 0.000 0.447 411 N N 0.024 118.621 118.700 -0.171 0.000 2.398 411 N HA 0.025 4.113 4.740 -1.087 0.000 0.188 411 N C -0.404 175.077 175.510 -0.049 0.000 1.122 411 N CA 0.549 53.531 53.050 -0.115 0.000 0.866 411 N CB 0.576 39.006 38.487 -0.095 0.000 0.970 411 N HN 0.145 nan 8.380 nan 0.000 0.462 412 A N 1.170 124.018 122.820 0.047 0.000 2.545 412 A HA 0.165 3.833 4.320 -1.087 0.000 0.297 412 A C 1.408 179.006 177.584 0.023 0.000 1.340 412 A CA -0.219 51.862 52.037 0.073 0.000 1.016 412 A CB -0.180 18.936 19.000 0.193 0.000 1.122 412 A HN 0.264 nan 8.150 nan 0.000 0.537 413 S N 2.625 118.292 115.700 -0.055 0.000 2.507 413 S HA -0.112 3.706 4.470 -1.087 0.000 0.235 413 S C 1.436 176.009 174.600 -0.045 0.000 0.988 413 S CA 0.896 59.059 58.200 -0.062 0.000 0.944 413 S CB -0.176 62.942 63.200 -0.136 0.000 0.762 413 S HN 0.755 nan 8.310 nan 0.000 0.526 414 R N -0.415 120.037 120.500 -0.081 0.000 2.317 414 R HA 0.262 3.950 4.340 -1.087 0.000 0.208 414 R C 0.206 176.527 176.300 0.035 0.000 0.914 414 R CA 0.043 56.109 56.100 -0.058 0.000 1.060 414 R CB -0.064 30.056 30.300 -0.300 0.000 1.015 414 R HN 0.437 nan 8.270 nan 0.000 0.498 415 C N 0.630 119.952 119.300 0.037 0.000 2.265 415 C HA 0.226 4.034 4.460 -1.087 0.000 0.332 415 C C 1.909 176.893 174.990 -0.011 0.000 1.248 415 C CA -0.665 58.402 59.018 0.082 0.000 1.727 415 C CB 0.591 28.463 27.740 0.219 0.000 2.348 415 C HN 0.263 nan 8.230 nan 0.000 0.519 416 V N 6.000 125.860 119.914 -0.089 0.000 3.306 416 V HA 0.180 3.647 4.120 -1.087 0.000 0.264 416 V C 1.848 177.986 176.094 0.074 0.000 1.149 416 V CA 2.238 64.402 62.300 -0.228 0.000 1.143 416 V CB -0.121 31.572 31.823 -0.216 0.000 0.767 416 V HN 1.082 nan 8.190 nan 0.000 0.476 417 G N -0.766 108.108 108.800 0.123 0.000 3.141 417 G HA2 0.010 3.318 3.960 -1.087 0.000 0.218 417 G HA3 0.010 3.318 3.960 -1.087 0.000 0.218 417 G C 1.303 176.246 174.900 0.072 0.000 1.170 417 G CA -0.288 44.893 45.100 0.134 0.000 0.769 417 G HN 0.441 nan 8.290 nan 0.000 0.546 418 R N -0.144 120.348 120.500 -0.013 0.000 2.341 418 R HA 0.062 3.750 4.340 -1.087 0.000 0.213 418 R C 2.046 177.867 176.300 -0.798 0.000 1.082 418 R CA 0.237 56.062 56.100 -0.459 0.000 1.017 418 R CB -0.243 29.908 30.300 -0.247 0.000 0.860 418 R HN 0.474 nan 8.270 nan 0.000 0.473 419 I N 0.882 121.098 120.570 -0.589 0.000 2.700 419 I HA -0.254 3.264 4.170 -1.087 0.000 0.261 419 I C 1.271 177.192 176.117 -0.328 0.000 1.219 419 I CA 1.362 62.373 61.300 -0.482 0.000 1.463 419 I CB 0.170 38.119 38.000 -0.086 0.000 1.092 419 I HN 0.165 nan 8.210 nan 0.000 0.452 420 Q N 0.466 120.028 119.800 -0.396 0.000 2.360 420 Q HA -0.065 3.622 4.340 -1.087 0.000 0.202 420 Q C 1.551 177.063 176.000 -0.814 0.000 0.915 420 Q CA 0.295 55.870 55.803 -0.381 0.000 0.943 420 Q CB -0.181 28.513 28.738 -0.074 0.000 1.064 420 Q HN 0.804 nan 8.270 nan 0.000 0.511 421 W N 1.172 121.765 121.300 -1.177 0.000 2.308 421 W HA -0.226 3.781 4.660 -1.088 0.000 0.301 421 W C 1.313 177.493 176.519 -0.564 0.000 1.220 421 W CA 1.618 58.125 57.345 -1.398 0.000 1.240 421 W CB -1.224 27.627 29.460 -1.014 0.000 1.142 421 W HN 0.174 nan 8.180 nan 0.000 0.521 422 S N 0.701 115.551 115.700 -1.417 0.000 2.562 422 S HA 0.032 3.849 4.470 -1.087 0.000 0.221 422 S C 1.190 175.493 174.600 -0.495 0.000 0.975 422 S CA 0.323 57.773 58.200 -1.250 0.000 0.918 422 S CB -0.444 61.742 63.200 -1.691 0.000 0.772 422 S HN 0.319 nan 8.310 nan 0.000 0.531 423 K N 1.238 121.459 120.400 -0.299 0.000 2.684 423 K HA 0.316 3.984 4.320 -1.087 0.000 0.215 423 K C -0.614 176.038 176.600 0.086 0.000 1.073 423 K CA -0.331 55.912 56.287 -0.073 0.000 1.197 423 K CB 0.005 32.496 32.500 -0.015 0.000 0.955 423 K HN 0.292 nan 8.250 nan 0.000 0.473 424 L N 1.720 123.018 121.223 0.126 0.000 2.319 424 L HA 0.123 3.811 4.340 -1.087 0.000 0.280 424 L C -0.196 176.677 176.870 0.005 0.000 1.099 424 L CA -0.159 54.789 54.840 0.182 0.000 0.828 424 L CB 0.862 43.106 42.059 0.309 0.000 1.150 424 L HN 0.058 nan 8.230 nan 0.000 0.442 425 Q N 3.618 123.378 119.800 -0.065 0.000 2.295 425 Q HA 0.408 4.096 4.340 -1.087 0.000 0.259 425 Q C -1.400 174.307 176.000 -0.489 0.000 0.976 425 Q CA -0.036 55.582 55.803 -0.307 0.000 0.923 425 Q CB 1.022 29.539 28.738 -0.369 0.000 1.185 425 Q HN 0.547 nan 8.270 nan 0.000 0.410 426 V N 6.132 125.744 119.914 -0.504 0.000 2.370 426 V HA 0.435 3.903 4.120 -1.087 0.000 0.283 426 V C -0.775 174.975 176.094 -0.574 0.000 1.023 426 V CA -0.566 61.485 62.300 -0.415 0.000 0.857 426 V CB 0.603 32.296 31.823 -0.216 0.000 0.985 426 V HN 0.640 nan 8.190 nan 0.000 0.443 427 F N 2.554 122.389 119.950 -0.192 0.000 2.411 427 F HA 0.402 4.281 4.527 -1.080 0.000 0.352 427 F C 0.393 176.035 175.800 -0.263 0.000 1.123 427 F CA -0.980 56.900 58.000 -0.200 0.000 1.044 427 F CB 1.200 40.095 39.000 -0.175 0.000 1.135 427 F HN 0.414 nan 8.300 nan 0.000 0.461 428 D N 3.043 123.409 120.400 -0.056 0.000 2.365 428 D HA 0.381 4.368 4.640 -1.087 0.000 0.237 428 D C 0.208 176.329 176.300 -0.299 0.000 1.190 428 D CA 0.049 53.941 54.000 -0.181 0.000 0.867 428 D CB 1.247 41.983 40.800 -0.107 0.000 1.050 428 D HN 0.618 nan 8.370 nan 0.000 0.491 429 A N 4.517 126.974 122.820 -0.605 0.000 2.545 429 A HA 0.141 3.808 4.320 -1.087 0.000 0.277 429 A C 1.690 178.956 177.584 -0.530 0.000 1.301 429 A CA -0.338 51.076 52.037 -1.039 0.000 0.935 429 A CB -0.024 17.902 19.000 -1.790 0.000 1.093 429 A HN 0.555 nan 8.150 nan 0.000 0.519 430 R N 0.655 120.979 120.500 -0.294 0.000 2.241 430 R HA -0.117 3.571 4.340 -1.087 0.000 0.224 430 R C 0.752 177.008 176.300 -0.075 0.000 1.101 430 R CA 1.310 57.315 56.100 -0.158 0.000 0.995 430 R CB -0.086 30.165 30.300 -0.081 0.000 0.870 430 R HN 0.670 nan 8.270 nan 0.000 0.463 431 D N -0.550 119.837 120.400 -0.021 0.000 2.349 431 D HA -0.067 3.921 4.640 -1.087 0.000 0.224 431 D C 0.295 176.686 176.300 0.152 0.000 1.029 431 D CA -0.154 53.892 54.000 0.076 0.000 0.879 431 D CB -0.521 40.347 40.800 0.115 0.000 0.906 431 D HN 0.010 nan 8.370 nan 0.000 0.528 432 C N 1.368 120.756 119.300 0.146 0.000 2.653 432 C HA 0.377 4.185 4.460 -1.087 0.000 0.421 432 C C 1.865 177.058 174.990 0.339 0.000 1.334 432 C CA 0.816 60.018 59.018 0.306 0.000 1.885 432 C CB -0.180 27.796 27.740 0.394 0.000 2.645 432 C HN 0.586 nan 8.230 nan 0.000 0.601 433 T N 0.431 115.205 114.554 0.367 0.000 2.969 433 T HA 0.256 3.954 4.350 -1.087 0.000 0.258 433 T C 0.322 175.195 174.700 0.289 0.000 0.962 433 T CA 0.566 62.888 62.100 0.369 0.000 0.903 433 T CB -0.068 68.942 68.868 0.236 0.000 1.177 433 T HN 0.825 nan 8.240 nan 0.000 0.511 434 T N -1.599 113.116 114.554 0.268 0.000 2.887 434 T HA 0.822 4.520 4.350 -1.087 0.000 0.292 434 T C 1.347 176.156 174.700 0.182 0.000 1.087 434 T CA -0.285 61.929 62.100 0.190 0.000 1.009 434 T CB 1.456 70.443 68.868 0.199 0.000 1.203 434 T HN 0.054 nan 8.240 nan 0.000 0.518 435 A N -0.255 122.660 122.820 0.158 0.000 1.929 435 A HA 0.026 3.694 4.320 -1.087 0.000 0.216 435 A C 1.968 179.567 177.584 0.025 0.000 1.176 435 A CA 1.473 53.580 52.037 0.116 0.000 0.628 435 A CB -1.381 17.741 19.000 0.204 0.000 0.816 435 A HN 1.000 nan 8.150 nan 0.000 0.444 436 H N -0.449 118.703 119.070 0.136 0.000 2.352 436 H HA -0.064 5.279 4.556 1.312 0.000 0.299 436 H C 2.386 177.734 175.328 0.034 0.000 1.097 436 H CA 1.806 57.881 56.048 0.046 0.000 1.311 436 H CB -0.312 29.554 29.762 0.174 0.000 1.377 436 H HN 0.481 nan 8.280 nan 0.000 0.504 437 G N 0.222 109.159 108.800 0.227 0.000 2.491 437 G HA2 -0.317 2.991 3.960 -1.087 0.000 0.218 437 G HA3 -0.317 2.991 3.960 -1.087 0.000 0.218 437 G C 1.640 176.711 174.900 0.285 0.000 1.180 437 G CA 1.281 46.519 45.100 0.230 0.000 0.774 437 G HN 0.298 nan 8.290 nan 0.000 0.562 438 M N -0.475 119.250 119.600 0.208 0.000 2.106 438 M HA -0.040 3.788 4.480 -1.087 0.000 0.259 438 M C 2.342 178.691 176.300 0.081 0.000 1.068 438 M CA 1.594 56.948 55.300 0.089 0.000 1.100 438 M CB -0.497 31.922 32.600 -0.301 0.000 1.351 438 M HN 0.316 nan 8.290 nan 0.000 0.404 439 F N 1.234 120.996 119.950 -0.313 0.000 2.095 439 F HA -0.290 3.667 4.527 -0.950 0.000 0.298 439 F C 2.146 177.837 175.800 -0.181 0.000 1.104 439 F CA 1.988 59.722 58.000 -0.444 0.000 1.232 439 F CB -0.282 38.063 39.000 -1.090 0.000 0.987 439 F HN 0.163 nan 8.300 nan 0.000 0.475 440 N N -0.263 118.277 118.700 -0.268 0.000 2.043 440 N HA -0.280 3.808 4.740 -1.087 0.000 0.193 440 N C 1.817 177.165 175.510 -0.270 0.000 1.037 440 N CA 2.214 55.068 53.050 -0.326 0.000 0.851 440 N CB -0.839 37.533 38.487 -0.192 0.000 1.027 440 N HN 0.494 nan 8.380 nan 0.000 0.422 441 Y N 0.219 120.477 120.300 -0.070 0.000 2.193 441 Y HA -0.132 3.762 4.550 -1.093 0.000 0.285 441 Y C 2.196 178.050 175.900 -0.077 0.000 1.166 441 Y CA 1.145 59.219 58.100 -0.042 0.000 1.181 441 Y CB -0.109 38.430 38.460 0.132 0.000 0.976 441 Y HN 0.147 nan 8.280 nan 0.000 0.520 442 I N -1.651 118.979 120.570 0.098 0.000 2.286 442 I HA -0.317 3.200 4.170 -1.087 0.000 0.245 442 I C 2.273 178.314 176.117 -0.126 0.000 1.104 442 I CA 0.761 62.060 61.300 -0.001 0.000 1.397 442 I CB -0.409 37.586 38.000 -0.008 0.000 1.072 442 I HN 0.286 nan 8.210 nan 0.000 0.417 443 C N 0.779 119.883 119.300 -0.326 0.000 2.413 443 C HA -0.144 3.664 4.460 -1.087 0.000 0.277 443 C C 2.596 177.482 174.990 -0.174 0.000 1.265 443 C CA 0.852 59.680 59.018 -0.318 0.000 1.752 443 C CB -1.435 25.983 27.740 -0.537 0.000 1.998 443 C HN 0.547 nan 8.230 nan 0.000 0.489 444 N N -0.142 118.443 118.700 -0.192 0.000 2.188 444 N HA -0.129 3.959 4.740 -1.087 0.000 0.184 444 N C 1.444 176.865 175.510 -0.147 0.000 1.018 444 N CA 1.383 54.321 53.050 -0.187 0.000 0.858 444 N CB -0.785 37.532 38.487 -0.283 0.000 0.989 444 N HN 0.767 nan 8.380 nan 0.000 0.426 445 H N 0.308 119.232 119.070 -0.244 0.000 2.293 445 H HA -0.018 3.886 4.556 -1.086 0.000 0.300 445 H C 1.873 177.227 175.328 0.042 0.000 1.082 445 H CA 1.619 57.593 56.048 -0.123 0.000 1.308 445 H CB 0.054 29.786 29.762 -0.049 0.000 1.375 445 H HN -0.110 nan 8.280 nan 0.000 0.495 446 V N 1.152 121.219 119.914 0.255 0.000 2.282 446 V HA -0.300 3.168 4.120 -1.087 0.000 0.249 446 V C 2.527 178.701 176.094 0.134 0.000 1.057 446 V CA 2.369 64.776 62.300 0.178 0.000 1.032 446 V CB -0.591 31.257 31.823 0.042 0.000 0.645 446 V HN 0.460 nan 8.190 nan 0.000 0.447 447 K N -0.925 119.523 120.400 0.079 0.000 2.057 447 K HA -0.240 3.428 4.320 -1.087 0.000 0.206 447 K C 2.289 178.939 176.600 0.083 0.000 1.050 447 K CA 1.937 58.258 56.287 0.056 0.000 0.935 447 K CB -0.383 32.128 32.500 0.019 0.000 0.715 447 K HN 0.529 nan 8.250 nan 0.000 0.439 448 Y N 0.783 121.087 120.300 0.007 0.000 2.181 448 Y HA -0.204 3.693 4.550 -1.089 0.000 0.288 448 Y C 1.979 177.925 175.900 0.077 0.000 1.146 448 Y CA 1.834 59.961 58.100 0.044 0.000 1.164 448 Y CB -0.362 38.140 38.460 0.069 0.000 0.982 448 Y HN 0.174 nan 8.280 nan 0.000 0.515 449 A N -0.720 122.211 122.820 0.186 0.000 1.897 449 A HA -0.116 3.551 4.320 -1.087 0.000 0.215 449 A C 2.198 179.821 177.584 0.065 0.000 1.181 449 A CA 2.024 54.140 52.037 0.132 0.000 0.620 449 A CB -1.267 17.879 19.000 0.243 0.000 0.821 449 A HN 0.504 nan 8.150 nan 0.000 0.443 450 T N -0.095 114.505 114.554 0.076 0.000 2.674 450 T HA -0.137 3.561 4.350 -1.087 0.000 0.265 450 T C 1.100 175.804 174.700 0.006 0.000 1.039 450 T CA 1.480 63.618 62.100 0.062 0.000 1.150 450 T CB -0.431 68.476 68.868 0.064 0.000 0.864 450 T HN 0.638 nan 8.240 nan 0.000 0.427 451 N N 1.093 119.769 118.700 -0.040 0.000 2.725 451 N HA -0.218 3.870 4.740 -1.087 0.000 0.251 451 N C -0.442 175.041 175.510 -0.045 0.000 1.031 451 N CA 0.760 53.762 53.050 -0.080 0.000 0.720 451 N CB -1.622 36.773 38.487 -0.153 0.000 0.930 451 N HN 0.620 nan 8.380 nan 0.000 0.543 452 K N -2.201 118.185 120.400 -0.023 0.000 3.016 452 K HA -0.221 3.446 4.320 -1.087 0.000 0.262 452 K C 1.070 177.658 176.600 -0.020 0.000 1.043 452 K CA 1.054 57.330 56.287 -0.018 0.000 0.761 452 K CB -1.775 30.711 32.500 -0.023 0.000 1.230 452 K HN 0.958 nan 8.250 nan 0.000 0.485 453 G N 0.366 109.161 108.800 -0.008 0.000 2.232 453 G HA2 -0.346 2.962 3.960 -1.087 0.000 0.226 453 G HA3 -0.346 2.962 3.960 -1.087 0.000 0.226 453 G C -0.076 174.817 174.900 -0.013 0.000 0.996 453 G CA 0.141 45.239 45.100 -0.004 0.000 0.626 453 G HN 0.512 nan 8.290 nan 0.000 0.509 454 N N 1.378 120.057 118.700 -0.035 0.000 3.188 454 N HA 0.430 4.518 4.740 -1.087 0.000 0.279 454 N C 0.739 176.220 175.510 -0.047 0.000 1.213 454 N CA -0.485 52.528 53.050 -0.063 0.000 1.138 454 N CB -0.210 38.233 38.487 -0.072 0.000 1.417 454 N HN 0.383 nan 8.380 nan 0.000 0.526 455 L N 1.793 123.017 121.223 0.001 0.000 2.506 455 L HA 0.117 3.805 4.340 -1.087 0.000 0.281 455 L C 0.594 177.573 176.870 0.182 0.000 1.228 455 L CA 0.402 55.317 54.840 0.125 0.000 0.850 455 L CB 0.282 42.512 42.059 0.285 0.000 1.110 455 L HN 0.345 nan 8.230 nan 0.000 0.496 456 R N 1.088 121.702 120.500 0.191 0.000 2.575 456 R HA 0.293 3.981 4.340 -1.087 0.000 0.293 456 R C -0.520 175.939 176.300 0.266 0.000 0.983 456 R CA -0.607 55.632 56.100 0.231 0.000 0.887 456 R CB 2.131 32.445 30.300 0.023 0.000 1.184 456 R HN 0.780 nan 8.270 nan 0.000 0.445 457 S N 1.467 117.334 115.700 0.278 0.000 2.560 457 S HA 0.537 4.355 4.470 -1.087 0.000 0.284 457 S C 0.022 174.682 174.600 0.100 0.000 1.327 457 S CA -0.368 57.897 58.200 0.108 0.000 1.055 457 S CB 1.283 64.523 63.200 0.066 0.000 0.868 457 S HN 0.734 nan 8.310 nan 0.000 0.506 458 A N 2.422 125.253 122.820 0.018 0.000 2.608 458 A HA 0.763 4.431 4.320 -1.087 0.000 0.292 458 A C -1.180 176.431 177.584 0.046 0.000 1.066 458 A CA -0.826 51.175 52.037 -0.059 0.000 0.676 458 A CB 1.109 20.015 19.000 -0.157 0.000 1.277 458 A HN 1.230 nan 8.150 nan 0.000 0.413 459 I N 0.515 121.114 120.570 0.049 0.000 2.686 459 I HA 0.686 4.204 4.170 -1.087 0.000 0.295 459 I C -0.977 175.266 176.117 0.210 0.000 1.114 459 I CA -0.133 61.304 61.300 0.229 0.000 1.038 459 I CB 2.418 40.498 38.000 0.133 0.000 1.238 459 I HN 0.624 nan 8.210 nan 0.000 0.420 460 T N 7.681 122.391 114.554 0.260 0.000 2.807 460 T HA 0.574 4.272 4.350 -1.087 0.000 0.279 460 T C -0.424 174.111 174.700 -0.276 0.000 0.993 460 T CA -0.234 61.868 62.100 0.004 0.000 0.970 460 T CB 1.129 69.999 68.868 0.005 0.000 0.950 460 T HN 0.311 nan 8.240 nan 0.000 0.441 461 I N 4.009 124.303 120.570 -0.460 0.000 2.390 461 I HA 0.375 3.892 4.170 -1.087 0.000 0.283 461 I C -0.481 175.289 176.117 -0.580 0.000 1.016 461 I CA -0.612 60.420 61.300 -0.446 0.000 1.151 461 I CB 0.557 38.272 38.000 -0.475 0.000 1.293 461 I HN 0.486 nan 8.210 nan 0.000 0.458 462 F N 6.872 126.728 119.950 -0.156 0.000 2.390 462 F HA 0.378 4.259 4.527 -1.077 0.000 0.307 462 F C -1.806 173.840 175.800 -0.257 0.000 1.227 462 F CA -2.119 55.713 58.000 -0.280 0.000 1.179 462 F CB -0.299 38.565 39.000 -0.228 0.000 1.280 462 F HN 0.220 nan 8.300 nan 0.000 0.548 463 P HA 0.023 nan 4.420 nan 0.000 0.268 463 P C -1.053 176.208 177.300 -0.066 0.000 1.205 463 P CA -0.287 62.655 63.100 -0.263 0.000 0.771 463 P CB 0.268 31.669 31.700 -0.499 0.000 0.858 464 Q N 2.970 122.728 119.800 -0.069 0.000 2.421 464 Q HA 0.085 3.772 4.340 -1.087 0.000 0.255 464 Q C 0.211 176.122 176.000 -0.148 0.000 1.013 464 Q CA -0.509 55.074 55.803 -0.367 0.000 0.895 464 Q CB 0.662 28.911 28.738 -0.814 0.000 1.271 464 Q HN 0.331 nan 8.270 nan 0.000 0.460 465 R N 0.862 121.280 120.500 -0.135 0.000 2.619 465 R HA -0.072 3.616 4.340 -1.087 0.000 0.268 465 R C 0.080 176.356 176.300 -0.039 0.000 0.990 465 R CA 1.353 57.436 56.100 -0.029 0.000 1.092 465 R CB 0.448 30.718 30.300 -0.052 0.000 0.935 465 R HN 0.982 nan 8.270 nan 0.000 0.415 466 T N -0.493 114.080 114.554 0.031 0.000 3.479 466 T HA 0.040 3.738 4.350 -1.087 0.000 0.197 466 T C 0.782 175.505 174.700 0.038 0.000 0.912 466 T CA 0.210 62.322 62.100 0.020 0.000 1.281 466 T CB -0.301 68.581 68.868 0.023 0.000 1.588 466 T HN 0.713 nan 8.240 nan 0.000 0.389 467 D N 0.765 121.217 120.400 0.086 0.000 2.349 467 D HA 0.341 4.328 4.640 -1.087 0.000 0.214 467 D C 1.597 177.946 176.300 0.082 0.000 1.063 467 D CA 0.560 54.612 54.000 0.087 0.000 0.847 467 D CB -0.467 40.404 40.800 0.117 0.000 0.933 467 D HN 0.949 nan 8.370 nan 0.000 0.513 468 G N 0.658 109.512 108.800 0.089 0.000 2.162 468 G HA2 -0.380 2.927 3.960 -1.087 0.000 0.260 468 G HA3 -0.380 2.927 3.960 -1.087 0.000 0.260 468 G C 0.965 175.888 174.900 0.038 0.000 0.976 468 G CA 0.476 45.608 45.100 0.054 0.000 0.655 468 G HN 0.450 nan 8.290 nan 0.000 0.533 469 K N -0.792 119.643 120.400 0.057 0.000 2.358 469 K HA 0.258 3.926 4.320 -1.087 0.000 0.197 469 K C 0.706 177.131 176.600 -0.291 0.000 1.025 469 K CA 0.346 56.576 56.287 -0.094 0.000 1.104 469 K CB 0.318 32.745 32.500 -0.122 0.000 0.855 469 K HN 0.554 nan 8.250 nan 0.000 0.531 470 H N -0.055 119.035 119.070 0.033 0.000 2.750 470 H HA 0.168 4.070 4.556 -1.089 0.000 0.239 470 H C -1.197 174.159 175.328 0.047 0.000 1.210 470 H CA -0.736 55.326 56.048 0.022 0.000 0.936 470 H CB 0.362 30.154 29.762 0.049 0.000 2.074 470 H HN -0.023 nan 8.280 nan 0.000 0.622 471 D N 0.478 120.947 120.400 0.114 0.000 2.414 471 D HA 0.036 4.024 4.640 -1.087 0.000 0.242 471 D C -0.101 176.272 176.300 0.122 0.000 1.129 471 D CA 0.388 54.483 54.000 0.158 0.000 0.885 471 D CB 0.516 41.371 40.800 0.091 0.000 1.198 471 D HN 0.104 nan 8.370 nan 0.000 0.437 472 F N 2.264 122.259 119.950 0.074 0.000 2.394 472 F HA 0.449 4.320 4.527 -1.093 0.000 0.340 472 F C 0.940 176.774 175.800 0.057 0.000 1.105 472 F CA -0.284 57.746 58.000 0.051 0.000 1.124 472 F CB 0.807 39.840 39.000 0.054 0.000 1.145 472 F HN -0.131 nan 8.300 nan 0.000 0.505 473 R N 1.597 122.218 120.500 0.202 0.000 2.584 473 R HA 0.457 4.145 4.340 -1.087 0.000 0.276 473 R C -1.787 174.645 176.300 0.219 0.000 1.046 473 R CA -0.893 55.319 56.100 0.185 0.000 0.906 473 R CB 1.981 32.372 30.300 0.152 0.000 1.215 473 R HN 0.376 nan 8.270 nan 0.000 0.449 474 V N 3.382 123.400 119.914 0.172 0.000 2.348 474 V HA 0.136 3.604 4.120 -1.087 0.000 0.270 474 V C 0.500 176.753 176.094 0.264 0.000 1.037 474 V CA -0.410 61.997 62.300 0.178 0.000 0.872 474 V CB 0.997 32.864 31.823 0.072 0.000 1.002 474 V HN 0.726 nan 8.190 nan 0.000 0.464 475 W N 2.352 123.693 121.300 0.067 0.000 2.425 475 W HA -0.022 4.001 4.660 -1.061 0.000 0.277 475 W C 1.111 177.606 176.519 -0.040 0.000 1.231 475 W CA -0.175 57.272 57.345 0.170 0.000 1.248 475 W CB -0.713 29.004 29.460 0.428 0.000 1.117 475 W HN 0.528 nan 8.180 nan 0.000 0.568 476 N N 0.152 118.841 118.700 -0.018 0.000 2.395 476 N HA -0.029 4.059 4.740 -1.087 0.000 0.246 476 N C 1.358 176.657 175.510 -0.352 0.000 1.246 476 N CA 0.983 53.687 53.050 -0.576 0.000 0.879 476 N CB 0.574 38.889 38.487 -0.286 0.000 1.098 476 N HN -0.054 nan 8.380 nan 0.000 0.444 477 S N 0.809 116.265 115.700 -0.407 0.000 2.436 477 S HA -0.013 3.805 4.470 -1.087 0.000 0.228 477 S C 0.317 174.787 174.600 -0.216 0.000 1.014 477 S CA 0.571 58.629 58.200 -0.238 0.000 0.950 477 S CB 0.100 63.197 63.200 -0.171 0.000 0.784 477 S HN 0.655 nan 8.310 nan 0.000 0.504 478 Q N -0.672 118.990 119.800 -0.230 0.000 2.456 478 Q HA 0.522 4.210 4.340 -1.087 0.000 0.283 478 Q C 0.223 176.079 176.000 -0.240 0.000 1.084 478 Q CA -0.577 55.093 55.803 -0.222 0.000 0.801 478 Q CB 1.985 30.630 28.738 -0.154 0.000 1.434 478 Q HN 0.114 nan 8.270 nan 0.000 0.419 479 L N 0.406 121.487 121.223 -0.238 0.000 2.093 479 L HA 0.027 3.715 4.340 -1.087 0.000 0.208 479 L C 0.547 177.269 176.870 -0.247 0.000 1.085 479 L CA 1.272 55.990 54.840 -0.204 0.000 0.755 479 L CB 0.019 41.959 42.059 -0.197 0.000 0.904 479 L HN 0.485 nan 8.230 nan 0.000 0.435 480 I N 0.115 120.452 120.570 -0.388 0.000 2.390 480 I HA 0.326 3.844 4.170 -1.087 0.000 0.283 480 I C -0.218 175.288 176.117 -1.017 0.000 1.016 480 I CA -0.160 60.752 61.300 -0.646 0.000 1.151 480 I CB 1.213 38.786 38.000 -0.712 0.000 1.293 480 I HN 0.073 nan 8.210 nan 0.000 0.458 481 R N 4.328 124.400 120.500 -0.712 0.000 2.739 481 R HA 0.498 4.186 4.340 -1.087 0.000 0.271 481 R C -1.595 174.489 176.300 -0.359 0.000 1.010 481 R CA -0.992 54.778 56.100 -0.550 0.000 0.897 481 R CB 2.680 32.858 30.300 -0.204 0.000 1.236 481 R HN 0.373 nan 8.270 nan 0.000 0.466 482 Y N 0.416 120.746 120.300 0.050 0.000 2.299 482 Y HA 0.402 4.300 4.550 -1.087 0.000 0.326 482 Y C 0.955 176.921 175.900 0.109 0.000 1.164 482 Y CA -0.696 57.487 58.100 0.138 0.000 1.234 482 Y CB 1.345 39.968 38.460 0.271 0.000 1.219 482 Y HN 0.609 nan 8.280 nan 0.000 0.497 483 A N 1.779 124.759 122.820 0.265 0.000 2.386 483 A HA 0.578 4.245 4.320 -1.087 0.000 0.246 483 A C 0.441 177.940 177.584 -0.142 0.000 1.089 483 A CA 0.274 52.315 52.037 0.007 0.000 0.790 483 A CB -0.193 18.801 19.000 -0.009 0.000 1.042 483 A HN 0.900 nan 8.150 nan 0.000 0.497 484 G N -0.445 108.130 108.800 -0.375 0.000 2.723 484 G HA2 0.569 3.877 3.960 -1.087 0.000 0.295 484 G HA3 0.569 3.877 3.960 -1.087 0.000 0.295 484 G C -1.424 173.215 174.900 -0.435 0.000 1.464 484 G CA -0.270 44.648 45.100 -0.304 0.000 1.012 484 G HN 0.518 nan 8.290 nan 0.000 0.522 485 Y N 1.170 121.482 120.300 0.021 0.000 2.331 485 Y HA 0.483 4.380 4.550 -1.089 0.000 0.334 485 Y C 0.571 176.467 175.900 -0.008 0.000 0.960 485 Y CA -0.999 57.108 58.100 0.012 0.000 1.130 485 Y CB 2.269 40.735 38.460 0.010 0.000 1.164 485 Y HN 0.318 nan 8.280 nan 0.000 0.458 486 K N 3.192 123.663 120.400 0.118 0.000 2.249 486 K HA 0.310 3.978 4.320 -1.087 0.000 0.280 486 K C -0.571 176.069 176.600 0.066 0.000 1.033 486 K CA -0.209 56.118 56.287 0.067 0.000 0.946 486 K CB 0.674 33.197 32.500 0.038 0.000 1.005 486 K HN 0.667 nan 8.250 nan 0.000 0.469 487 Q N 2.616 122.440 119.800 0.041 0.000 2.359 487 Q HA 0.249 3.937 4.340 -1.087 0.000 0.275 487 Q C -1.834 174.172 176.000 0.010 0.000 1.082 487 Q CA -2.100 53.715 55.803 0.021 0.000 0.849 487 Q CB 1.321 30.065 28.738 0.011 0.000 1.377 487 Q HN 0.313 nan 8.270 nan 0.000 0.452 488 P HA -0.178 nan 4.420 nan 0.000 0.221 488 P C 0.330 177.629 177.300 -0.002 0.000 1.145 488 P CA 1.223 64.322 63.100 -0.002 0.000 0.795 488 P CB 0.269 31.964 31.700 -0.007 0.000 0.775 489 D N -1.534 118.864 120.400 -0.003 0.000 2.221 489 D HA -0.098 3.890 4.640 -1.087 0.000 0.204 489 D C 1.716 178.016 176.300 -0.000 0.000 0.982 489 D CA 1.982 55.980 54.000 -0.003 0.000 0.857 489 D CB -0.451 40.347 40.800 -0.005 0.000 0.934 489 D HN 0.184 nan 8.370 nan 0.000 0.475 490 G N -1.009 107.793 108.800 0.003 0.000 2.349 490 G HA2 -0.273 3.035 3.960 -1.087 0.000 0.213 490 G HA3 -0.273 3.035 3.960 -1.087 0.000 0.213 490 G C 0.574 175.478 174.900 0.006 0.000 1.044 490 G CA 0.473 45.576 45.100 0.005 0.000 0.633 490 G HN 0.672 nan 8.290 nan 0.000 0.506 491 S N 0.105 115.807 115.700 0.004 0.000 2.626 491 S HA 0.644 4.462 4.470 -1.087 0.000 0.257 491 S C 0.067 174.670 174.600 0.005 0.000 1.288 491 S CA 0.840 59.042 58.200 0.003 0.000 0.980 491 S CB 1.580 64.780 63.200 0.000 0.000 0.975 491 S HN 0.706 nan 8.310 nan 0.000 0.577 492 T N 1.154 115.706 114.554 -0.004 0.000 2.829 492 T HA 0.531 4.229 4.350 -1.087 0.000 0.280 492 T C -0.888 173.807 174.700 -0.009 0.000 0.999 492 T CA -0.482 61.616 62.100 -0.005 0.000 0.983 492 T CB 1.004 69.853 68.868 -0.031 0.000 0.968 492 T HN 0.541 nan 8.240 nan 0.000 0.446 493 L N 3.721 124.970 121.223 0.044 0.000 2.295 493 L HA 0.717 4.405 4.340 -1.087 0.000 0.285 493 L C 0.750 177.670 176.870 0.083 0.000 1.035 493 L CA 1.128 56.005 54.840 0.062 0.000 0.806 493 L CB 0.134 42.249 42.059 0.094 0.000 1.214 493 L HN 0.949 nan 8.230 nan 0.000 0.426 494 G N 3.885 112.660 108.800 -0.042 0.000 2.496 494 G HA2 -0.230 3.078 3.960 -1.087 0.000 0.243 494 G HA3 -0.230 3.078 3.960 -1.087 0.000 0.243 494 G C -0.722 173.875 174.900 -0.504 0.000 1.176 494 G CA 0.046 45.078 45.100 -0.112 0.000 0.940 494 G HN 0.789 nan 8.290 nan 0.000 0.573 495 D N 1.665 121.902 120.400 -0.272 0.000 2.373 495 D HA 0.562 4.549 4.640 -1.087 0.000 0.227 495 D C -1.133 175.088 176.300 -0.132 0.000 1.091 495 D CA -1.900 51.922 54.000 -0.297 0.000 0.840 495 D CB 1.554 42.494 40.800 0.234 0.000 1.060 495 D HN -0.017 nan 8.370 nan 0.000 0.502 496 P HA -0.059 nan 4.420 nan 0.000 0.222 496 P C 0.936 178.241 177.300 0.009 0.000 1.147 496 P CA 0.740 63.805 63.100 -0.058 0.000 0.790 496 P CB 0.246 31.914 31.700 -0.053 0.000 0.780 497 A N -0.492 122.359 122.820 0.052 0.000 2.125 497 A HA -0.139 3.529 4.320 -1.087 0.000 0.219 497 A C 1.676 179.312 177.584 0.088 0.000 1.156 497 A CA 1.433 53.521 52.037 0.087 0.000 0.671 497 A CB -0.829 18.250 19.000 0.131 0.000 0.794 497 A HN 0.161 nan 8.150 nan 0.000 0.459 498 N N -0.875 117.869 118.700 0.073 0.000 2.200 498 N HA 0.132 4.219 4.740 -1.087 0.000 0.224 498 N C 1.075 176.607 175.510 0.037 0.000 1.179 498 N CA 0.253 53.355 53.050 0.088 0.000 0.877 498 N CB 0.781 39.334 38.487 0.110 0.000 1.072 498 N HN 0.183 nan 8.380 nan 0.000 0.519 499 V N 1.035 120.949 119.914 -0.000 0.000 2.332 499 V HA -0.250 3.218 4.120 -1.087 0.000 0.248 499 V C 2.555 178.618 176.094 -0.051 0.000 1.055 499 V CA 1.816 64.089 62.300 -0.045 0.000 1.038 499 V CB -0.324 31.485 31.823 -0.023 0.000 0.651 499 V HN 0.366 nan 8.190 nan 0.000 0.450 500 Q N -0.971 118.812 119.800 -0.029 0.000 2.049 500 Q HA -0.194 3.493 4.340 -1.087 0.000 0.198 500 Q C 2.193 178.060 176.000 -0.222 0.000 0.971 500 Q CA 1.814 57.554 55.803 -0.106 0.000 0.833 500 Q CB -0.180 28.517 28.738 -0.068 0.000 0.896 500 Q HN 0.593 nan 8.270 nan 0.000 0.434 501 F N 1.144 120.891 119.950 -0.338 0.000 2.126 501 F HA -0.193 3.677 4.527 -1.094 0.000 0.299 501 F C 2.053 177.723 175.800 -0.217 0.000 1.096 501 F CA 1.951 59.737 58.000 -0.356 0.000 1.255 501 F CB -0.506 38.387 39.000 -0.179 0.000 0.997 501 F HN 0.029 nan 8.300 nan 0.000 0.479 502 T N -0.279 114.165 114.554 -0.184 0.000 2.833 502 T HA -0.201 3.496 4.350 -1.087 0.000 0.269 502 T C 1.707 176.310 174.700 -0.161 0.000 1.054 502 T CA 1.700 63.668 62.100 -0.219 0.000 1.135 502 T CB -0.328 68.413 68.868 -0.212 0.000 0.869 502 T HN 0.395 nan 8.240 nan 0.000 0.466 503 E N 0.387 120.492 120.200 -0.158 0.000 2.106 503 E HA 0.007 3.704 4.350 -1.087 0.000 0.192 503 E C 2.016 178.530 176.600 -0.144 0.000 0.984 503 E CA 0.708 57.043 56.400 -0.109 0.000 0.806 503 E CB -0.186 29.456 29.700 -0.095 0.000 0.750 503 E HN 0.489 nan 8.360 nan 0.000 0.458 504 I N 0.254 120.675 120.570 -0.248 0.000 2.353 504 I HA -0.271 3.247 4.170 -1.087 0.000 0.248 504 I C 2.197 178.163 176.117 -0.251 0.000 1.119 504 I CA 0.418 61.584 61.300 -0.223 0.000 1.417 504 I CB -0.122 37.741 38.000 -0.228 0.000 1.078 504 I HN 0.244 nan 8.210 nan 0.000 0.421 505 C N 0.786 119.854 119.300 -0.387 0.000 2.432 505 C HA -0.134 3.673 4.460 -1.087 0.000 0.277 505 C C 2.719 177.706 174.990 -0.004 0.000 1.249 505 C CA 0.656 59.496 59.018 -0.297 0.000 1.725 505 C CB -0.796 26.661 27.740 -0.471 0.000 2.028 505 C HN 0.431 nan 8.230 nan 0.000 0.477 506 I N 0.452 121.063 120.570 0.069 0.000 2.361 506 I HA -0.225 3.293 4.170 -1.087 0.000 0.251 506 I C 2.774 178.885 176.117 -0.010 0.000 1.133 506 I CA 1.371 62.723 61.300 0.087 0.000 1.413 506 I CB -0.609 37.446 38.000 0.090 0.000 1.073 506 I HN 0.481 nan 8.210 nan 0.000 0.424 507 Q N 0.455 120.220 119.800 -0.058 0.000 2.389 507 Q HA -0.131 3.557 4.340 -1.087 0.000 0.204 507 Q C 1.713 177.635 176.000 -0.130 0.000 0.944 507 Q CA 0.830 56.577 55.803 -0.094 0.000 0.908 507 Q CB 0.320 28.997 28.738 -0.102 0.000 1.002 507 Q HN 0.513 nan 8.270 nan 0.000 0.493 508 Q N -1.509 118.216 119.800 -0.124 0.000 2.356 508 Q HA 0.125 3.813 4.340 -1.087 0.000 0.205 508 Q C 0.789 176.724 176.000 -0.110 0.000 0.901 508 Q CA 0.906 56.621 55.803 -0.147 0.000 0.938 508 Q CB 1.566 30.201 28.738 -0.172 0.000 1.081 508 Q HN 0.541 nan 8.270 nan 0.000 0.517 509 G N -0.218 108.548 108.800 -0.057 0.000 2.425 509 G HA2 -0.180 3.127 3.960 -1.087 0.000 0.177 509 G HA3 -0.180 3.127 3.960 -1.087 0.000 0.177 509 G C -0.522 174.395 174.900 0.029 0.000 0.999 509 G CA -0.474 44.603 45.100 -0.038 0.000 0.723 509 G HN 0.228 nan 8.290 nan 0.000 0.491 510 W N 3.549 124.768 121.300 -0.134 0.000 2.295 510 W HA 0.548 4.551 4.660 -1.094 0.000 0.335 510 W C 0.406 176.885 176.519 -0.067 0.000 1.351 510 W CA -0.030 57.251 57.345 -0.107 0.000 1.273 510 W CB 0.479 29.870 29.460 -0.116 0.000 1.214 510 W HN 0.051 nan 8.180 nan 0.000 0.563 511 K N 5.750 125.851 120.400 -0.499 0.000 2.284 511 K HA 0.481 4.148 4.320 -1.087 0.000 0.287 511 K C 0.018 175.943 176.600 -1.126 0.000 1.081 511 K CA -0.401 55.542 56.287 -0.572 0.000 0.910 511 K CB 0.530 32.820 32.500 -0.349 0.000 1.088 511 K HN 0.453 nan 8.250 nan 0.000 0.478 512 A N 4.659 126.917 122.820 -0.936 0.000 2.320 512 A HA 0.293 3.961 4.320 -1.087 0.000 0.287 512 A C -1.687 175.557 177.584 -0.566 0.000 1.181 512 A CA -1.327 50.073 52.037 -1.061 0.000 0.831 512 A CB 0.254 19.057 19.000 -0.330 0.000 1.102 512 A HN 0.529 nan 8.150 nan 0.000 0.513 513 P HA -0.037 nan 4.420 nan 0.000 0.226 513 P C -0.024 177.121 177.300 -0.259 0.000 1.153 513 P CA 0.186 63.148 63.100 -0.230 0.000 0.777 513 P CB 0.060 31.715 31.700 -0.075 0.000 0.794 514 R N -1.225 119.018 120.500 -0.429 0.000 3.267 514 R HA -0.104 3.584 4.340 -1.087 0.000 0.254 514 R C 0.573 176.608 176.300 -0.441 0.000 0.993 514 R CA 0.401 55.980 56.100 -0.868 0.000 0.670 514 R CB -2.364 27.531 30.300 -0.676 0.000 1.125 514 R HN 0.364 nan 8.270 nan 0.000 0.434 515 G N -0.902 107.808 108.800 -0.150 0.000 2.735 515 G HA2 0.419 3.726 3.960 -1.087 0.000 0.301 515 G HA3 0.419 3.726 3.960 -1.087 0.000 0.301 515 G C 0.311 175.280 174.900 0.115 0.000 1.279 515 G CA -0.677 44.425 45.100 0.004 0.000 1.019 515 G HN 0.162 nan 8.290 nan 0.000 0.497 516 R N -1.289 119.236 120.500 0.042 0.000 2.090 516 R HA 0.083 3.771 4.340 -1.087 0.000 0.228 516 R C 0.186 176.264 176.300 -0.370 0.000 1.110 516 R CA 1.024 57.040 56.100 -0.141 0.000 0.973 516 R CB -0.132 30.041 30.300 -0.212 0.000 0.869 516 R HN 0.396 nan 8.270 nan 0.000 0.440 517 F N 0.969 120.938 119.950 0.031 0.000 2.597 517 F HA 0.236 4.110 4.527 -1.089 0.000 0.336 517 F C -1.020 174.820 175.800 0.066 0.000 1.432 517 F CA -1.015 56.813 58.000 -0.287 0.000 1.120 517 F CB 0.877 39.553 39.000 -0.539 0.000 1.253 517 F HN -0.235 nan 8.300 nan 0.000 0.546 518 D N 1.500 122.152 120.400 0.420 0.000 2.347 518 D HA 0.184 4.172 4.640 -1.087 0.000 0.235 518 D C 0.152 176.779 176.300 0.546 0.000 1.149 518 D CA -0.022 54.276 54.000 0.496 0.000 0.850 518 D CB 1.855 42.993 40.800 0.563 0.000 1.061 518 D HN -0.069 nan 8.370 nan 0.000 0.487 519 V N 3.708 123.894 119.914 0.453 0.000 2.493 519 V HA -0.060 3.408 4.120 -1.087 0.000 0.292 519 V C 1.141 177.301 176.094 0.111 0.000 1.016 519 V CA -0.192 62.245 62.300 0.228 0.000 1.097 519 V CB -0.154 31.749 31.823 0.133 0.000 0.947 519 V HN 0.388 nan 8.190 nan 0.000 0.479 520 L N 8.528 129.719 121.223 -0.054 0.000 2.483 520 L HA 0.221 3.909 4.340 -1.087 0.000 0.275 520 L C -1.578 175.099 176.870 -0.322 0.000 1.220 520 L CA -1.122 53.536 54.840 -0.303 0.000 0.833 520 L CB 0.585 42.582 42.059 -0.103 0.000 1.102 520 L HN 0.487 nan 8.230 nan 0.000 0.490 521 P HA 0.179 nan 4.420 nan 0.000 0.276 521 P C -0.922 176.285 177.300 -0.155 0.000 1.244 521 P CA -0.471 62.395 63.100 -0.390 0.000 0.801 521 P CB 0.934 32.213 31.700 -0.700 0.000 1.006 522 L N 1.733 122.955 121.223 -0.001 0.000 2.395 522 L HA 0.359 4.046 4.340 -1.087 0.000 0.269 522 L C 0.674 177.610 176.870 0.110 0.000 1.133 522 L CA -0.508 54.401 54.840 0.115 0.000 0.812 522 L CB 0.357 42.526 42.059 0.184 0.000 1.125 522 L HN 0.264 nan 8.230 nan 0.000 0.452 523 L N 4.852 126.174 121.223 0.165 0.000 2.388 523 L HA 0.484 4.172 4.340 -1.087 0.000 0.267 523 L C -1.075 175.790 176.870 -0.009 0.000 0.995 523 L CA -0.328 54.525 54.840 0.022 0.000 0.864 523 L CB 1.054 43.165 42.059 0.087 0.000 1.216 523 L HN 0.511 nan 8.230 nan 0.000 0.430 524 L N 4.256 125.465 121.223 -0.023 0.000 2.322 524 L HA 0.501 4.189 4.340 -1.087 0.000 0.281 524 L C -0.347 176.464 176.870 -0.099 0.000 1.014 524 L CA -0.398 54.445 54.840 0.004 0.000 0.815 524 L CB 1.967 44.077 42.059 0.086 0.000 1.247 524 L HN 0.547 nan 8.230 nan 0.000 0.421 525 Q N 3.078 122.833 119.800 -0.074 0.000 2.341 525 Q HA 0.687 4.374 4.340 -1.087 0.000 0.268 525 Q C -1.361 174.525 176.000 -0.190 0.000 1.013 525 Q CA -0.605 55.126 55.803 -0.119 0.000 0.798 525 Q CB 2.053 30.803 28.738 0.020 0.000 1.253 525 Q HN 0.769 nan 8.270 nan 0.000 0.457 526 A N 4.304 126.945 122.820 -0.298 0.000 2.304 526 A HA 0.362 4.030 4.320 -1.087 0.000 0.323 526 A C 0.213 177.327 177.584 -0.783 0.000 1.195 526 A CA -0.337 51.287 52.037 -0.689 0.000 0.826 526 A CB 0.561 19.384 19.000 -0.295 0.000 1.184 526 A HN 1.125 nan 8.150 nan 0.000 0.496 527 N N 1.140 118.977 118.700 -1.438 0.000 2.735 527 N HA -0.244 3.843 4.740 -1.087 0.000 0.248 527 N C 0.980 176.370 175.510 -0.201 0.000 1.083 527 N CA 1.252 53.941 53.050 -0.602 0.000 0.703 527 N CB -0.701 37.636 38.487 -0.250 0.000 1.005 527 N HN 2.195 nan 8.380 nan 0.000 0.550 528 G N -1.260 107.410 108.800 -0.216 0.000 2.184 528 G HA2 -0.325 2.982 3.960 -1.087 0.000 0.264 528 G HA3 -0.325 2.982 3.960 -1.087 0.000 0.264 528 G C 0.177 175.053 174.900 -0.040 0.000 0.975 528 G CA 0.568 45.604 45.100 -0.106 0.000 0.642 528 G HN 0.581 nan 8.290 nan 0.000 0.536 529 N N 1.171 119.819 118.700 -0.086 0.000 2.381 529 N HA 0.311 4.399 4.740 -1.087 0.000 0.254 529 N C 0.055 175.534 175.510 -0.051 0.000 1.264 529 N CA -0.397 52.644 53.050 -0.016 0.000 0.942 529 N CB 0.301 38.770 38.487 -0.030 0.000 1.190 529 N HN 0.161 nan 8.380 nan 0.000 0.495 530 D N 1.246 121.678 120.400 0.053 0.000 2.506 530 D HA 0.061 4.049 4.640 -1.087 0.000 0.234 530 D C -1.820 174.395 176.300 -0.142 0.000 1.143 530 D CA -0.178 53.849 54.000 0.045 0.000 0.871 530 D CB 0.130 41.054 40.800 0.205 0.000 1.190 530 D HN 0.294 nan 8.370 nan 0.000 0.459 531 P HA 0.239 nan 4.420 nan 0.000 0.278 531 P C -0.666 176.453 177.300 -0.301 0.000 1.258 531 P CA -0.396 62.440 63.100 -0.439 0.000 0.811 531 P CB 1.350 32.422 31.700 -1.047 0.000 1.063 532 E N 0.145 120.188 120.200 -0.261 0.000 2.336 532 E HA 0.499 4.197 4.350 -1.087 0.000 0.267 532 E C -0.653 175.667 176.600 -0.467 0.000 0.906 532 E CA -0.957 55.234 56.400 -0.349 0.000 0.781 532 E CB 1.592 31.066 29.700 -0.377 0.000 1.261 532 E HN 0.321 nan 8.360 nan 0.000 0.436 533 L N 1.871 122.715 121.223 -0.632 0.000 2.357 533 L HA 0.546 4.234 4.340 -1.087 0.000 0.273 533 L C -0.868 175.412 176.870 -0.983 0.000 1.080 533 L CA -0.380 54.123 54.840 -0.563 0.000 0.803 533 L CB 0.360 42.203 42.059 -0.360 0.000 1.174 533 L HN 0.426 nan 8.230 nan 0.000 0.443 534 F N 0.195 119.951 119.950 -0.324 0.000 2.596 534 F HA 0.316 3.317 4.527 -2.543 0.000 0.311 534 F C -0.272 175.348 175.800 -0.301 0.000 1.116 534 F CA -0.748 56.952 58.000 -0.499 0.000 0.957 534 F CB 1.945 40.351 39.000 -0.990 0.000 1.250 534 F HN 0.283 nan 8.300 nan 0.000 0.444 535 Q N 2.919 122.694 119.800 -0.042 0.000 2.322 535 Q HA 0.544 4.231 4.340 -1.087 0.000 0.256 535 Q C -0.681 175.451 176.000 0.220 0.000 0.960 535 Q CA -0.233 55.623 55.803 0.087 0.000 0.934 535 Q CB 0.775 29.587 28.738 0.124 0.000 1.200 535 Q HN 0.558 nan 8.270 nan 0.000 0.435 536 I N 6.908 127.638 120.570 0.268 0.000 2.741 536 I HA 0.022 3.540 4.170 -1.087 0.000 0.288 536 I C -1.799 174.443 176.117 0.209 0.000 1.192 536 I CA -1.435 60.044 61.300 0.297 0.000 1.426 536 I CB 0.204 38.295 38.000 0.152 0.000 1.367 536 I HN 0.540 nan 8.210 nan 0.000 0.563 537 P HA -0.002 nan 4.420 nan 0.000 0.261 537 P C -1.992 175.370 177.300 0.103 0.000 1.183 537 P CA -0.762 62.424 63.100 0.143 0.000 0.761 537 P CB 0.080 31.848 31.700 0.114 0.000 0.785 538 P HA -0.216 nan 4.420 nan 0.000 0.217 538 P C 1.371 178.711 177.300 0.067 0.000 1.148 538 P CA 1.359 64.511 63.100 0.087 0.000 0.828 538 P CB -0.206 31.547 31.700 0.087 0.000 0.783 539 E N 0.118 120.353 120.200 0.059 0.000 2.333 539 E HA -0.135 3.562 4.350 -1.087 0.000 0.198 539 E C 1.536 178.159 176.600 0.038 0.000 1.007 539 E CA 1.023 57.449 56.400 0.044 0.000 0.845 539 E CB -1.004 28.719 29.700 0.038 0.000 0.766 539 E HN 0.329 nan 8.360 nan 0.000 0.507 540 L N 0.775 122.022 121.223 0.041 0.000 2.477 540 L HA 0.132 3.820 4.340 -1.087 0.000 0.220 540 L C 0.707 177.598 176.870 0.036 0.000 1.106 540 L CA -0.062 54.797 54.840 0.031 0.000 0.851 540 L CB 0.520 42.590 42.059 0.019 0.000 0.994 540 L HN -0.127 nan 8.230 nan 0.000 0.462 541 V N 2.585 122.524 119.914 0.042 0.000 2.299 541 V HA 0.112 3.580 4.120 -1.087 0.000 0.255 541 V C 0.093 176.221 176.094 0.058 0.000 1.100 541 V CA -0.461 61.864 62.300 0.042 0.000 0.938 541 V CB 0.896 32.740 31.823 0.035 0.000 1.139 541 V HN 0.076 nan 8.190 nan 0.000 0.490 542 L N 5.633 126.893 121.223 0.061 0.000 2.418 542 L HA 0.363 4.051 4.340 -1.087 0.000 0.274 542 L C 0.219 177.131 176.870 0.070 0.000 1.135 542 L CA 0.838 55.708 54.840 0.050 0.000 0.870 542 L CB 0.131 42.213 42.059 0.039 0.000 1.154 542 L HN 0.639 nan 8.230 nan 0.000 0.462 543 E N 3.312 123.537 120.200 0.043 0.000 2.277 543 E HA 0.632 4.330 4.350 -1.087 0.000 0.266 543 E C -1.428 175.142 176.600 -0.050 0.000 0.901 543 E CA -1.008 55.424 56.400 0.053 0.000 0.782 543 E CB 2.466 32.228 29.700 0.104 0.000 1.228 543 E HN 0.379 nan 8.360 nan 0.000 0.424 544 V N 3.123 122.986 119.914 -0.084 0.000 2.443 544 V HA 0.330 3.798 4.120 -1.087 0.000 0.293 544 V C -2.358 173.718 176.094 -0.030 0.000 1.021 544 V CA -1.953 60.250 62.300 -0.162 0.000 0.848 544 V CB 1.447 32.976 31.823 -0.489 0.000 0.998 544 V HN 0.557 nan 8.190 nan 0.000 0.424 545 P HA 0.299 nan 4.420 nan 0.000 0.276 545 P C -0.834 176.518 177.300 0.087 0.000 1.230 545 P CA -0.198 62.911 63.100 0.015 0.000 0.776 545 P CB 1.019 32.723 31.700 0.008 0.000 0.888 546 I N 4.590 125.254 120.570 0.157 0.000 2.297 546 I HA 0.265 3.782 4.170 -1.087 0.000 0.291 546 I C 1.205 177.535 176.117 0.355 0.000 1.033 546 I CA -0.355 61.115 61.300 0.283 0.000 1.253 546 I CB 0.072 38.319 38.000 0.411 0.000 1.396 546 I HN 0.408 nan 8.210 nan 0.000 0.476 547 R N 5.548 126.220 120.500 0.287 0.000 2.939 547 R HA 0.543 4.231 4.340 -1.087 0.000 0.254 547 R C -1.022 175.353 176.300 0.125 0.000 1.123 547 R CA -0.657 55.613 56.100 0.284 0.000 1.020 547 R CB 1.929 32.362 30.300 0.221 0.000 1.206 547 R HN 0.540 nan 8.270 nan 0.000 0.491 548 H N 0.959 119.939 119.070 -0.150 0.000 2.524 548 H HA 0.300 4.204 4.556 -1.087 0.000 0.353 548 H C -1.777 173.237 175.328 -0.524 0.000 1.136 548 H CA -2.051 53.728 56.048 -0.449 0.000 1.193 548 H CB 2.567 31.943 29.762 -0.643 0.000 1.558 548 H HN 0.322 nan 8.280 nan 0.000 0.515 549 P HA -0.034 nan 4.420 nan 0.000 0.223 549 P C 0.546 177.533 177.300 -0.521 0.000 1.151 549 P CA 1.118 63.530 63.100 -1.146 0.000 0.787 549 P CB 0.728 31.602 31.700 -1.377 0.000 0.788 550 K N -2.150 118.048 120.400 -0.337 0.000 2.436 550 K HA 0.209 3.877 4.320 -1.087 0.000 0.198 550 K C 0.328 176.739 176.600 -0.315 0.000 1.174 550 K CA -0.034 56.056 56.287 -0.328 0.000 0.951 550 K CB 0.405 32.602 32.500 -0.506 0.000 1.040 550 K HN 0.044 nan 8.250 nan 0.000 0.536 551 F N 1.417 121.274 119.950 -0.156 0.000 2.313 551 F HA 0.096 3.970 4.527 -1.087 0.000 0.369 551 F C 0.949 176.424 175.800 -0.542 0.000 1.109 551 F CA -0.840 56.785 58.000 -0.625 0.000 1.132 551 F CB 1.186 39.374 39.000 -1.354 0.000 1.291 551 F HN -0.047 nan 8.300 nan 0.000 0.496 552 D N 4.336 124.654 120.400 -0.137 0.000 2.144 552 D HA -0.183 3.805 4.640 -1.087 0.000 0.199 552 D C 2.060 178.372 176.300 0.019 0.000 0.984 552 D CA 1.312 55.300 54.000 -0.020 0.000 0.834 552 D CB 0.038 40.877 40.800 0.064 0.000 0.955 552 D HN 0.653 nan 8.370 nan 0.000 0.465 553 W N -0.373 121.032 121.300 0.175 0.000 2.468 553 W HA -0.124 3.884 4.660 -1.087 0.000 0.262 553 W C 1.575 178.171 176.519 0.129 0.000 1.241 553 W CA -0.262 57.147 57.345 0.107 0.000 1.232 553 W CB -1.442 28.037 29.460 0.031 0.000 1.124 553 W HN -0.078 nan 8.180 nan 0.000 0.597 554 F N 3.721 123.525 119.950 -0.243 0.000 2.161 554 F HA -0.253 3.621 4.527 -1.088 0.000 0.300 554 F C 2.651 178.500 175.800 0.081 0.000 1.089 554 F CA 3.095 61.030 58.000 -0.108 0.000 1.282 554 F CB -0.167 38.646 39.000 -0.312 0.000 1.010 554 F HN -0.122 nan 8.300 nan 0.000 0.485 555 K N -0.633 119.902 120.400 0.224 0.000 2.097 555 K HA -0.194 3.474 4.320 -1.087 0.000 0.206 555 K C 1.341 177.993 176.600 0.087 0.000 1.049 555 K CA 1.838 58.218 56.287 0.156 0.000 0.933 555 K CB -0.734 31.849 32.500 0.138 0.000 0.717 555 K HN 0.125 nan 8.250 nan 0.000 0.442 556 D N 1.327 121.788 120.400 0.103 0.000 2.389 556 D HA -0.095 3.893 4.640 -1.087 0.000 0.221 556 D C 1.742 178.061 176.300 0.031 0.000 0.974 556 D CA 0.735 54.780 54.000 0.076 0.000 0.923 556 D CB -0.085 40.777 40.800 0.104 0.000 0.892 556 D HN 0.300 nan 8.370 nan 0.000 0.518 557 L N -0.301 120.907 121.223 -0.024 0.000 2.217 557 L HA 0.029 3.717 4.340 -1.087 0.000 0.211 557 L C 1.437 178.296 176.870 -0.017 0.000 1.107 557 L CA 0.593 55.387 54.840 -0.078 0.000 0.783 557 L CB -0.521 41.385 42.059 -0.255 0.000 0.919 557 L HN 0.095 nan 8.230 nan 0.000 0.442 558 G N 1.319 110.118 108.800 -0.001 0.000 2.298 558 G HA2 -0.266 3.042 3.960 -1.087 0.000 0.287 558 G HA3 -0.266 3.042 3.960 -1.087 0.000 0.287 558 G C -0.167 174.735 174.900 0.002 0.000 1.075 558 G CA -0.153 44.964 45.100 0.028 0.000 0.960 558 G HN 0.213 nan 8.290 nan 0.000 0.502 559 L N -0.244 120.940 121.223 -0.066 0.000 2.325 559 L HA 0.754 4.442 4.340 -1.087 0.000 0.279 559 L C 0.633 177.376 176.870 -0.211 0.000 1.054 559 L CA -0.675 54.071 54.840 -0.158 0.000 0.804 559 L CB 1.601 43.568 42.059 -0.154 0.000 1.200 559 L HN 0.517 nan 8.230 nan 0.000 0.436 560 K N 1.691 121.785 120.400 -0.509 0.000 2.512 560 K HA 0.567 4.234 4.320 -1.087 0.000 0.263 560 K C -1.851 174.814 176.600 0.109 0.000 0.966 560 K CA -0.995 55.145 56.287 -0.244 0.000 0.851 560 K CB 2.645 34.922 32.500 -0.373 0.000 1.395 560 K HN 0.548 nan 8.250 nan 0.000 0.440 561 W N 2.254 123.588 121.300 0.057 0.000 3.075 561 W HA 0.356 4.367 4.660 -1.082 0.000 0.334 561 W C -1.282 175.364 176.519 0.211 0.000 1.243 561 W CA -0.902 56.554 57.345 0.185 0.000 1.170 561 W CB 1.829 31.302 29.460 0.022 0.000 1.452 561 W HN 0.719 nan 8.180 nan 0.000 0.572 562 Y N 0.002 120.305 120.300 0.005 0.000 2.307 562 Y HA 0.577 4.478 4.550 -1.081 0.000 0.324 562 Y C 0.985 177.136 175.900 0.417 0.000 1.238 562 Y CA -0.189 57.959 58.100 0.080 0.000 1.280 562 Y CB 0.425 38.790 38.460 -0.158 0.000 1.248 562 Y HN 0.445 nan 8.280 nan 0.000 0.508 563 G N 1.480 110.536 108.800 0.427 0.000 2.572 563 G HA2 0.011 3.319 3.960 -1.087 0.000 0.216 563 G HA3 0.011 3.319 3.960 -1.087 0.000 0.216 563 G C -0.355 174.865 174.900 0.533 0.000 1.133 563 G CA 0.091 45.480 45.100 0.481 0.000 0.791 563 G HN 0.532 nan 8.290 nan 0.000 0.538 564 L N 2.178 123.685 121.223 0.475 0.000 2.318 564 L HA 0.489 4.177 4.340 -1.087 0.000 0.277 564 L C -2.387 174.592 176.870 0.181 0.000 1.008 564 L CA -2.486 52.514 54.840 0.267 0.000 0.846 564 L CB 2.073 44.235 42.059 0.171 0.000 1.220 564 L HN -0.194 nan 8.230 nan 0.000 0.423 565 P HA 0.419 nan 4.420 nan 0.000 0.287 565 P C -1.441 175.750 177.300 -0.181 0.000 1.281 565 P CA -0.379 62.549 63.100 -0.287 0.000 0.781 565 P CB 1.583 32.764 31.700 -0.865 0.000 0.903 566 A N 3.889 126.603 122.820 -0.176 0.000 2.569 566 A HA 0.415 4.083 4.320 -1.087 0.000 0.282 566 A C -0.648 176.694 177.584 -0.403 0.000 1.165 566 A CA -0.595 51.280 52.037 -0.271 0.000 0.747 566 A CB 0.757 19.633 19.000 -0.206 0.000 1.215 566 A HN 0.286 nan 8.150 nan 0.000 0.431 567 V N 2.854 122.354 119.914 -0.689 0.000 2.488 567 V HA 0.334 3.801 4.120 -1.087 0.000 0.277 567 V C 1.210 176.857 176.094 -0.745 0.000 1.046 567 V CA 1.030 62.883 62.300 -0.744 0.000 0.986 567 V CB 1.275 32.528 31.823 -0.951 0.000 0.989 567 V HN 1.119 nan 8.190 nan 0.000 0.475 568 S N 1.925 117.384 115.700 -0.403 0.000 2.701 568 S HA 0.057 3.875 4.470 -1.087 0.000 0.242 568 S C 0.755 175.277 174.600 -0.131 0.000 1.025 568 S CA 0.068 58.120 58.200 -0.247 0.000 1.016 568 S CB -0.386 62.705 63.200 -0.182 0.000 0.977 568 S HN 0.909 nan 8.310 nan 0.000 0.546 569 N N 0.360 118.975 118.700 -0.142 0.000 2.187 569 N HA 0.295 4.383 4.740 -1.087 0.000 0.212 569 N C 0.217 175.727 175.510 0.001 0.000 1.152 569 N CA -0.502 52.498 53.050 -0.083 0.000 0.872 569 N CB 0.142 38.543 38.487 -0.142 0.000 1.025 569 N HN 0.265 nan 8.380 nan 0.000 0.514 570 M N 1.279 120.926 119.600 0.078 0.000 2.283 570 M HA 0.321 4.149 4.480 -1.087 0.000 0.314 570 M C -0.545 175.912 176.300 0.261 0.000 1.153 570 M CA -0.724 54.710 55.300 0.223 0.000 1.084 570 M CB 2.128 34.935 32.600 0.345 0.000 1.468 570 M HN 0.131 nan 8.290 nan 0.000 0.474 571 L N 2.712 124.095 121.223 0.267 0.000 2.313 571 L HA 0.505 4.192 4.340 -1.087 0.000 0.283 571 L C -1.432 175.593 176.870 0.258 0.000 1.013 571 L CA -0.972 54.004 54.840 0.228 0.000 0.816 571 L CB 1.270 43.407 42.059 0.130 0.000 1.236 571 L HN 0.559 nan 8.230 nan 0.000 0.419 572 L N 4.988 126.366 121.223 0.259 0.000 2.264 572 L HA 0.418 4.105 4.340 -1.087 0.000 0.289 572 L C -0.408 176.514 176.870 0.086 0.000 1.044 572 L CA 0.313 55.199 54.840 0.075 0.000 0.807 572 L CB 1.233 43.334 42.059 0.071 0.000 1.192 572 L HN 0.708 nan 8.230 nan 0.000 0.425 573 E N 5.740 125.904 120.200 -0.059 0.000 2.092 573 E HA 0.465 4.163 4.350 -1.087 0.000 0.271 573 E C -1.355 175.186 176.600 -0.097 0.000 0.919 573 E CA -0.431 55.941 56.400 -0.046 0.000 0.760 573 E CB 0.806 30.470 29.700 -0.061 0.000 1.106 573 E HN 0.698 nan 8.360 nan 0.000 0.408 574 I N 3.084 123.612 120.570 -0.070 0.000 2.436 574 I HA 0.327 3.845 4.170 -1.087 0.000 0.289 574 I C 0.934 176.850 176.117 -0.334 0.000 1.010 574 I CA -0.665 60.472 61.300 -0.272 0.000 1.098 574 I CB 2.030 39.843 38.000 -0.313 0.000 1.266 574 I HN 0.819 nan 8.210 nan 0.000 0.434 575 G N 4.285 112.830 108.800 -0.426 0.000 2.416 575 G HA2 -0.138 3.170 3.960 -1.087 0.000 0.301 575 G HA3 -0.138 3.170 3.960 -1.087 0.000 0.301 575 G C 1.058 175.999 174.900 0.067 0.000 0.985 575 G CA 0.871 45.910 45.100 -0.102 0.000 0.934 575 G HN 1.577 nan 8.290 nan 0.000 0.513 576 G N -2.161 106.639 108.800 -0.000 0.000 2.179 576 G HA2 -0.260 3.048 3.960 -1.087 0.000 0.260 576 G HA3 -0.260 3.048 3.960 -1.087 0.000 0.260 576 G C 0.479 175.351 174.900 -0.046 0.000 0.977 576 G CA 0.617 45.726 45.100 0.015 0.000 0.641 576 G HN 1.290 nan 8.290 nan 0.000 0.533 577 L N 0.555 121.694 121.223 -0.139 0.000 2.350 577 L HA 0.585 4.272 4.340 -1.087 0.000 0.275 577 L C 0.384 177.019 176.870 -0.392 0.000 1.099 577 L CA -0.486 54.154 54.840 -0.333 0.000 0.808 577 L CB 1.134 42.873 42.059 -0.534 0.000 1.149 577 L HN 0.131 nan 8.230 nan 0.000 0.442 578 E N 2.672 122.584 120.200 -0.480 0.000 2.165 578 E HA 0.349 4.047 4.350 -1.087 0.000 0.266 578 E C -1.488 174.836 176.600 -0.459 0.000 0.889 578 E CA -0.401 55.812 56.400 -0.312 0.000 0.756 578 E CB 1.665 31.273 29.700 -0.154 0.000 1.131 578 E HN 0.295 nan 8.360 nan 0.000 0.411 579 F N 1.886 121.823 119.950 -0.021 0.000 2.307 579 F HA 0.102 3.975 4.527 -1.090 0.000 0.369 579 F C 1.431 177.275 175.800 0.073 0.000 1.076 579 F CA -0.472 57.535 58.000 0.011 0.000 1.149 579 F CB 1.084 40.075 39.000 -0.015 0.000 1.410 579 F HN 0.391 nan 8.300 nan 0.000 0.481 580 S N 0.957 116.776 115.700 0.199 0.000 2.481 580 S HA 0.197 4.015 4.470 -1.087 0.000 0.231 580 S C 0.829 175.556 174.600 0.211 0.000 0.996 580 S CA 0.309 58.612 58.200 0.172 0.000 0.942 580 S CB 0.072 63.351 63.200 0.132 0.000 0.768 580 S HN 0.481 nan 8.310 nan 0.000 0.520 581 A N 0.941 123.934 122.820 0.288 0.000 2.410 581 A HA 0.596 4.263 4.320 -1.087 0.000 0.289 581 A C -0.130 177.685 177.584 0.384 0.000 1.200 581 A CA -0.663 51.567 52.037 0.322 0.000 0.751 581 A CB 0.422 19.630 19.000 0.346 0.000 1.161 581 A HN 0.962 nan 8.150 nan 0.000 0.459 582 C N 0.616 120.099 119.300 0.305 0.000 3.235 582 C HA 0.444 4.251 4.460 -1.087 0.000 0.198 582 C C -2.828 172.306 174.990 0.240 0.000 1.527 582 C CA -1.709 57.464 59.018 0.257 0.000 1.167 582 C CB -0.437 27.478 27.740 0.292 0.000 1.938 582 C HN 0.558 nan 8.230 nan 0.000 0.593 583 P HA 0.242 nan 4.420 nan 0.000 0.262 583 P C -0.521 176.791 177.300 0.020 0.000 1.182 583 P CA 1.120 64.174 63.100 -0.077 0.000 0.761 583 P CB 0.269 31.882 31.700 -0.145 0.000 0.795 584 F N -0.059 119.827 119.950 -0.107 0.000 2.603 584 F HA 0.801 4.677 4.527 -1.085 0.000 0.317 584 F C -0.532 175.189 175.800 -0.132 0.000 1.066 584 F CA -1.202 56.747 58.000 -0.085 0.000 0.941 584 F CB 1.680 40.516 39.000 -0.273 0.000 1.291 584 F HN 0.403 nan 8.300 nan 0.000 0.472 585 S N 0.145 115.924 115.700 0.132 0.000 2.550 585 S HA 0.944 4.762 4.470 -1.087 0.000 0.270 585 S C -0.825 173.738 174.600 -0.063 0.000 1.145 585 S CA -0.129 58.085 58.200 0.022 0.000 0.852 585 S CB 1.482 64.790 63.200 0.179 0.000 1.119 585 S HN 1.585 nan 8.310 nan 0.000 0.465 586 G N 0.071 108.795 108.800 -0.126 0.000 3.321 586 G HA2 0.727 4.035 3.960 -1.087 0.000 0.169 586 G HA3 0.727 4.035 3.960 -1.087 0.000 0.169 586 G C -1.689 173.215 174.900 0.007 0.000 1.153 586 G CA -0.149 44.811 45.100 -0.235 0.000 1.007 586 G HN 1.322 nan 8.290 nan 0.000 0.668 587 W N -1.319 119.987 121.300 0.010 0.000 3.118 587 W HA 0.794 4.801 4.660 -1.089 0.000 0.328 587 W C -1.620 174.917 176.519 0.031 0.000 1.239 587 W CA -2.238 55.127 57.345 0.033 0.000 1.176 587 W CB 0.428 29.950 29.460 0.103 0.000 1.433 587 W HN 0.485 nan 8.180 nan 0.000 0.562 588 Y N 2.779 123.275 120.300 0.327 0.000 2.336 588 Y HA 0.255 4.153 4.550 -1.087 0.000 0.331 588 Y C 1.062 177.036 175.900 0.124 0.000 1.211 588 Y CA -0.665 57.503 58.100 0.114 0.000 1.346 588 Y CB 1.234 39.669 38.460 -0.041 0.000 1.271 588 Y HN 0.421 nan 8.280 nan 0.000 0.538 589 M N 2.554 122.311 119.600 0.262 0.000 2.216 589 M HA 0.260 4.087 4.480 -1.087 0.000 0.356 589 M C 1.173 177.473 176.300 0.001 0.000 1.205 589 M CA 0.144 55.529 55.300 0.140 0.000 1.122 589 M CB 1.140 33.803 32.600 0.105 0.000 1.571 589 M HN 0.914 nan 8.290 nan 0.000 0.464 590 G N 1.156 109.923 108.800 -0.055 0.000 2.469 590 G HA2 -0.256 3.052 3.960 -1.087 0.000 0.219 590 G HA3 -0.256 3.052 3.960 -1.087 0.000 0.219 590 G C 1.157 175.913 174.900 -0.241 0.000 1.150 590 G CA 1.543 46.528 45.100 -0.192 0.000 0.763 590 G HN 0.881 nan 8.290 nan 0.000 0.561 591 T N -0.750 113.700 114.554 -0.173 0.000 2.929 591 T HA -0.050 3.648 4.350 -1.087 0.000 0.271 591 T C 1.908 176.450 174.700 -0.265 0.000 1.085 591 T CA 1.571 63.528 62.100 -0.240 0.000 1.125 591 T CB -0.250 68.448 68.868 -0.283 0.000 0.874 591 T HN 0.499 nan 8.240 nan 0.000 0.494 592 E N 0.774 120.831 120.200 -0.240 0.000 2.110 592 E HA -0.043 3.655 4.350 -1.087 0.000 0.193 592 E C 1.979 178.297 176.600 -0.469 0.000 0.988 592 E CA 1.308 57.572 56.400 -0.227 0.000 0.804 592 E CB -0.268 29.427 29.700 -0.010 0.000 0.745 592 E HN 0.624 nan 8.360 nan 0.000 0.458 593 I N -0.392 119.719 120.570 -0.764 0.000 2.556 593 I HA -0.014 3.504 4.170 -1.087 0.000 0.251 593 I C 2.473 177.985 176.117 -1.008 0.000 1.105 593 I CA 0.796 61.363 61.300 -1.221 0.000 1.436 593 I CB -0.203 36.906 38.000 -1.485 0.000 1.139 593 I HN 0.071 nan 8.210 nan 0.000 0.438 594 G N 0.531 108.975 108.800 -0.593 0.000 2.408 594 G HA2 -0.075 3.233 3.960 -1.087 0.000 0.215 594 G HA3 -0.075 3.233 3.960 -1.087 0.000 0.215 594 G C 1.614 176.439 174.900 -0.125 0.000 1.156 594 G CA 0.683 45.626 45.100 -0.262 0.000 0.793 594 G HN 0.178 nan 8.290 nan 0.000 0.535 595 V N 0.395 120.196 119.914 -0.188 0.000 2.341 595 V HA 0.046 3.514 4.120 -1.087 0.000 0.240 595 V C 2.839 178.866 176.094 -0.112 0.000 1.035 595 V CA 1.126 63.348 62.300 -0.129 0.000 1.033 595 V CB -0.310 31.412 31.823 -0.168 0.000 0.678 595 V HN 0.118 nan 8.190 nan 0.000 0.464 596 R N 0.337 120.738 120.500 -0.166 0.000 2.052 596 R HA -0.013 3.675 4.340 -1.087 0.000 0.224 596 R C 2.036 178.289 176.300 -0.078 0.000 1.149 596 R CA 1.343 57.374 56.100 -0.114 0.000 0.962 596 R CB -1.096 29.132 30.300 -0.119 0.000 0.856 596 R HN 0.465 nan 8.270 nan 0.000 0.433 597 D N 0.236 120.509 120.400 -0.212 0.000 2.123 597 D HA -0.176 3.812 4.640 -1.087 0.000 0.196 597 D C 1.999 178.354 176.300 0.092 0.000 0.992 597 D CA 1.397 55.284 54.000 -0.188 0.000 0.833 597 D CB -0.207 40.083 40.800 -0.850 0.000 0.954 597 D HN 0.371 nan 8.370 nan 0.000 0.455 598 Y N -0.685 119.550 120.300 -0.108 0.000 2.397 598 Y HA -0.009 3.888 4.550 -1.088 0.000 0.292 598 Y C 2.359 178.310 175.900 0.084 0.000 1.115 598 Y CA 0.103 58.215 58.100 0.020 0.000 1.208 598 Y CB 0.417 38.857 38.460 -0.034 0.000 1.046 598 Y HN 0.018 nan 8.280 nan 0.000 0.552 599 C N -0.777 118.640 119.300 0.194 0.000 3.230 599 C HA 0.147 3.954 4.460 -1.087 0.000 0.300 599 C C 0.112 175.149 174.990 0.078 0.000 1.292 599 C CA -0.592 58.501 59.018 0.124 0.000 1.707 599 C CB -0.609 27.179 27.740 0.081 0.000 2.181 599 C HN 0.234 nan 8.230 nan 0.000 0.655 600 D N 2.051 122.491 120.400 0.067 0.000 2.487 600 D HA -0.020 3.967 4.640 -1.087 0.000 0.243 600 D C 1.111 177.450 176.300 0.065 0.000 1.154 600 D CA 0.491 54.520 54.000 0.048 0.000 0.876 600 D CB 0.346 41.169 40.800 0.039 0.000 1.161 600 D HN 0.152 nan 8.370 nan 0.000 0.478 601 N N 1.413 120.139 118.700 0.045 0.000 2.096 601 N HA -0.228 3.859 4.740 -1.087 0.000 0.195 601 N C 1.181 176.717 175.510 0.043 0.000 1.017 601 N CA 1.712 54.789 53.050 0.044 0.000 0.870 601 N CB -0.019 38.486 38.487 0.031 0.000 1.024 601 N HN 0.384 nan 8.380 nan 0.000 0.434 602 S N -1.006 114.718 115.700 0.040 0.000 2.631 602 S HA 0.233 4.051 4.470 -1.087 0.000 0.217 602 S C 1.033 175.656 174.600 0.040 0.000 0.958 602 S CA -0.330 57.891 58.200 0.035 0.000 0.920 602 S CB 0.584 63.804 63.200 0.034 0.000 0.776 602 S HN 0.084 nan 8.310 nan 0.000 0.517 603 R N 0.109 120.648 120.500 0.064 0.000 2.769 603 R HA 0.392 4.080 4.340 -1.087 0.000 0.117 603 R C 0.750 177.090 176.300 0.068 0.000 1.152 603 R CA -0.515 55.642 56.100 0.094 0.000 0.887 603 R CB -1.005 29.410 30.300 0.191 0.000 1.099 603 R HN 0.274 nan 8.270 nan 0.000 0.398 604 Y N 1.795 122.206 120.300 0.185 0.000 2.421 604 Y HA -0.036 3.860 4.550 -1.089 0.000 0.292 604 Y C 0.807 176.772 175.900 0.108 0.000 1.136 604 Y CA 1.309 59.511 58.100 0.170 0.000 1.255 604 Y CB -0.136 38.489 38.460 0.274 0.000 0.991 604 Y HN 0.549 nan 8.280 nan 0.000 0.552 605 N N 1.041 119.877 118.700 0.227 0.000 2.705 605 N HA -0.224 3.864 4.740 -1.087 0.000 0.255 605 N C 0.412 176.001 175.510 0.131 0.000 1.008 605 N CA 0.465 53.600 53.050 0.143 0.000 0.742 605 N CB -1.065 37.478 38.487 0.093 0.000 0.906 605 N HN 0.650 nan 8.380 nan 0.000 0.541 606 I N -2.950 117.703 120.570 0.138 0.000 3.883 606 I HA 0.064 3.582 4.170 -1.087 0.000 0.326 606 I C 1.960 178.135 176.117 0.098 0.000 1.283 606 I CA -0.426 60.926 61.300 0.087 0.000 1.161 606 I CB -0.064 37.944 38.000 0.013 0.000 1.012 606 I HN 0.159 nan 8.210 nan 0.000 0.421 607 L N 1.296 122.602 121.223 0.139 0.000 1.997 607 L HA -0.227 3.461 4.340 -1.087 0.000 0.216 607 L C 2.783 179.798 176.870 0.241 0.000 1.074 607 L CA 1.907 56.862 54.840 0.192 0.000 0.763 607 L CB -0.587 41.581 42.059 0.181 0.000 0.890 607 L HN 0.366 nan 8.230 nan 0.000 0.434 608 E N -0.109 120.223 120.200 0.220 0.000 2.065 608 E HA -0.299 3.399 4.350 -1.087 0.000 0.201 608 E C 2.005 178.619 176.600 0.023 0.000 1.016 608 E CA 2.091 58.576 56.400 0.141 0.000 0.818 608 E CB -0.143 29.607 29.700 0.084 0.000 0.749 608 E HN 0.561 nan 8.360 nan 0.000 0.453 609 E N 0.104 120.313 120.200 0.014 0.000 2.110 609 E HA -0.144 3.554 4.350 -1.087 0.000 0.193 609 E C 2.168 178.720 176.600 -0.081 0.000 0.988 609 E CA 0.981 57.352 56.400 -0.048 0.000 0.804 609 E CB -0.089 29.586 29.700 -0.041 0.000 0.745 609 E HN 0.050 nan 8.360 nan 0.000 0.458 610 V N 0.995 120.904 119.914 -0.008 0.000 2.307 610 V HA -0.222 3.245 4.120 -1.087 0.000 0.245 610 V C 2.248 178.322 176.094 -0.033 0.000 1.045 610 V CA 1.754 64.069 62.300 0.025 0.000 1.024 610 V CB -0.804 31.130 31.823 0.184 0.000 0.651 610 V HN 0.363 nan 8.190 nan 0.000 0.449 611 A N -0.533 122.313 122.820 0.044 0.000 1.972 611 A HA -0.239 3.429 4.320 -1.087 0.000 0.219 611 A C 2.289 179.775 177.584 -0.164 0.000 1.169 611 A CA 1.873 53.928 52.037 0.031 0.000 0.635 611 A CB -0.452 18.669 19.000 0.202 0.000 0.810 611 A HN 0.527 nan 8.150 nan 0.000 0.446 612 K N -0.286 119.980 120.400 -0.224 0.000 2.063 612 K HA -0.136 3.531 4.320 -1.087 0.000 0.208 612 K C 1.810 178.181 176.600 -0.382 0.000 1.048 612 K CA 1.429 57.547 56.287 -0.283 0.000 0.928 612 K CB -0.100 32.252 32.500 -0.246 0.000 0.713 612 K HN 0.272 nan 8.250 nan 0.000 0.442 613 K N 0.244 120.319 120.400 -0.541 0.000 2.217 613 K HA -0.028 3.639 4.320 -1.087 0.000 0.202 613 K C 1.783 177.743 176.600 -1.066 0.000 1.051 613 K CA 1.001 56.694 56.287 -0.990 0.000 0.952 613 K CB -0.001 31.570 32.500 -1.549 0.000 0.736 613 K HN 0.259 nan 8.250 nan 0.000 0.453 614 M N 0.318 119.532 119.600 -0.642 0.000 2.618 614 M HA -0.042 3.786 4.480 -1.087 0.000 0.240 614 M C -0.428 175.737 176.300 -0.226 0.000 1.123 614 M CA 0.247 55.323 55.300 -0.373 0.000 1.060 614 M CB -0.225 32.281 32.600 -0.157 0.000 1.535 614 M HN 0.018 nan 8.290 nan 0.000 0.507 615 D N 1.650 121.898 120.400 -0.255 0.000 2.689 615 D HA -0.157 3.831 4.640 -1.087 0.000 0.237 615 D C -0.913 175.321 176.300 -0.111 0.000 1.148 615 D CA 0.476 54.370 54.000 -0.176 0.000 0.656 615 D CB -0.718 39.996 40.800 -0.144 0.000 1.050 615 D HN 0.302 nan 8.370 nan 0.000 0.426 616 L N -0.092 121.068 121.223 -0.106 0.000 2.421 616 L HA 0.357 4.044 4.340 -1.087 0.000 0.263 616 L C 0.902 177.701 176.870 -0.118 0.000 1.122 616 L CA -0.804 54.007 54.840 -0.048 0.000 0.804 616 L CB 0.685 42.774 42.059 0.050 0.000 1.150 616 L HN 0.005 nan 8.230 nan 0.000 0.457 617 D N 1.899 122.260 120.400 -0.064 0.000 2.344 617 D HA 0.145 4.133 4.640 -1.087 0.000 0.253 617 D C 0.377 176.558 176.300 -0.197 0.000 1.255 617 D CA 0.330 54.270 54.000 -0.099 0.000 0.894 617 D CB 0.745 41.534 40.800 -0.018 0.000 1.067 617 D HN 0.346 nan 8.370 nan 0.000 0.492 618 M N 2.765 122.101 119.600 -0.439 0.000 2.453 618 M HA 0.173 4.001 4.480 -1.087 0.000 0.239 618 M C 1.714 177.815 176.300 -0.333 0.000 1.151 618 M CA -0.193 54.576 55.300 -0.885 0.000 0.989 618 M CB 0.473 32.364 32.600 -1.182 0.000 1.548 618 M HN 0.242 nan 8.290 nan 0.000 0.479 619 R N 1.694 122.111 120.500 -0.139 0.000 2.092 619 R HA -0.057 3.631 4.340 -1.087 0.000 0.231 619 R C -0.013 176.321 176.300 0.057 0.000 1.119 619 R CA 1.068 57.145 56.100 -0.039 0.000 0.970 619 R CB 0.014 30.298 30.300 -0.028 0.000 0.864 619 R HN 0.360 nan 8.270 nan 0.000 0.440 620 K N -1.106 119.372 120.400 0.131 0.000 2.426 620 K HA 0.231 3.898 4.320 -1.087 0.000 0.251 620 K C 0.470 177.228 176.600 0.263 0.000 0.941 620 K CA -0.448 55.937 56.287 0.163 0.000 0.808 620 K CB 1.744 34.303 32.500 0.099 0.000 1.265 620 K HN -0.170 nan 8.250 nan 0.000 0.432 621 T N -2.361 112.304 114.554 0.185 0.000 2.881 621 T HA -0.193 3.505 4.350 -1.087 0.000 0.270 621 T C 1.663 176.389 174.700 0.043 0.000 1.068 621 T CA 1.504 63.663 62.100 0.098 0.000 1.131 621 T CB -0.516 68.362 68.868 0.016 0.000 0.871 621 T HN 0.597 nan 8.240 nan 0.000 0.479 622 S N 2.088 117.828 115.700 0.068 0.000 2.547 622 S HA -0.041 3.776 4.470 -1.087 0.000 0.235 622 S C 2.067 176.705 174.600 0.064 0.000 0.980 622 S CA 0.672 58.899 58.200 0.045 0.000 0.941 622 S CB -0.760 62.465 63.200 0.040 0.000 0.763 622 S HN 0.762 nan 8.310 nan 0.000 0.532 623 S N 1.666 117.440 115.700 0.122 0.000 2.562 623 S HA 0.225 4.042 4.470 -1.087 0.000 0.221 623 S C 0.953 175.622 174.600 0.115 0.000 0.975 623 S CA 0.090 58.373 58.200 0.138 0.000 0.918 623 S CB -0.944 62.375 63.200 0.199 0.000 0.772 623 S HN 0.588 nan 8.310 nan 0.000 0.531 624 L N 0.660 121.905 121.223 0.037 0.000 3.843 624 L HA -0.180 3.507 4.340 -1.087 0.000 0.411 624 L C 1.644 178.493 176.870 -0.034 0.000 1.205 624 L CA 0.785 55.592 54.840 -0.056 0.000 0.945 624 L CB -2.583 39.464 42.059 -0.020 0.000 1.929 624 L HN 0.760 nan 8.230 nan 0.000 0.934 625 W N 0.338 121.649 121.300 0.018 0.000 2.363 625 W HA -0.141 3.867 4.660 -1.088 0.000 0.296 625 W C 1.697 178.232 176.519 0.026 0.000 1.212 625 W CA 1.314 58.671 57.345 0.019 0.000 1.260 625 W CB -0.698 28.766 29.460 0.006 0.000 1.131 625 W HN 0.271 nan 8.180 nan 0.000 0.530 626 K N 1.061 120.919 120.400 -0.904 0.000 2.097 626 K HA -0.168 3.500 4.320 -1.087 0.000 0.206 626 K C 1.432 177.896 176.600 -0.227 0.000 1.049 626 K CA 2.352 58.225 56.287 -0.689 0.000 0.933 626 K CB -0.350 31.631 32.500 -0.865 0.000 0.717 626 K HN 0.132 nan 8.250 nan 0.000 0.442 627 D N 0.574 120.861 120.400 -0.188 0.000 2.149 627 D HA -0.110 3.878 4.640 -1.087 0.000 0.201 627 D C 1.974 178.281 176.300 0.012 0.000 0.972 627 D CA 0.781 54.734 54.000 -0.077 0.000 0.835 627 D CB 0.030 40.787 40.800 -0.072 0.000 0.966 627 D HN 0.161 nan 8.370 nan 0.000 0.476 628 Q N 0.255 120.088 119.800 0.055 0.000 2.020 628 Q HA -0.103 3.585 4.340 -1.087 0.000 0.202 628 Q C 2.275 178.370 176.000 0.159 0.000 0.982 628 Q CA 1.432 57.306 55.803 0.118 0.000 0.838 628 Q CB -0.168 28.659 28.738 0.149 0.000 0.899 628 Q HN 0.301 nan 8.270 nan 0.000 0.423 629 A N 0.625 123.556 122.820 0.185 0.000 1.908 629 A HA -0.216 3.452 4.320 -1.087 0.000 0.218 629 A C 2.007 179.705 177.584 0.190 0.000 1.181 629 A CA 1.387 53.557 52.037 0.222 0.000 0.627 629 A CB -0.770 18.385 19.000 0.258 0.000 0.818 629 A HN 0.409 nan 8.150 nan 0.000 0.445 630 L N -0.080 121.212 121.223 0.115 0.000 2.012 630 L HA -0.135 3.552 4.340 -1.087 0.000 0.210 630 L C 2.409 179.336 176.870 0.095 0.000 1.073 630 L CA 2.045 56.936 54.840 0.084 0.000 0.748 630 L CB -0.528 41.538 42.059 0.012 0.000 0.891 630 L HN 0.162 nan 8.230 nan 0.000 0.431 631 V N -0.094 119.878 119.914 0.096 0.000 2.343 631 V HA -0.227 3.241 4.120 -1.087 0.000 0.247 631 V C 2.619 178.799 176.094 0.143 0.000 1.051 631 V CA 1.856 64.219 62.300 0.104 0.000 1.036 631 V CB -0.700 31.184 31.823 0.101 0.000 0.654 631 V HN 0.485 nan 8.190 nan 0.000 0.451 632 E N -0.041 120.280 120.200 0.200 0.000 2.072 632 E HA -0.129 3.569 4.350 -1.087 0.000 0.191 632 E C 2.216 178.950 176.600 0.223 0.000 0.985 632 E CA 1.166 57.727 56.400 0.268 0.000 0.801 632 E CB -0.299 29.606 29.700 0.341 0.000 0.750 632 E HN 0.557 nan 8.360 nan 0.000 0.452 633 I N 1.981 122.713 120.570 0.270 0.000 2.145 633 I HA -0.321 3.197 4.170 -1.087 0.000 0.244 633 I C 2.149 178.380 176.117 0.191 0.000 1.075 633 I CA 1.166 62.662 61.300 0.326 0.000 1.332 633 I CB -0.370 37.847 38.000 0.362 0.000 1.033 633 I HN 0.103 nan 8.210 nan 0.000 0.410 634 N N 0.593 119.365 118.700 0.118 0.000 2.331 634 N HA -0.042 4.046 4.740 -1.087 0.000 0.180 634 N C 1.983 177.511 175.510 0.031 0.000 1.019 634 N CA 1.039 54.117 53.050 0.048 0.000 0.881 634 N CB 0.082 38.578 38.487 0.015 0.000 0.972 634 N HN 0.368 nan 8.380 nan 0.000 0.435 635 I N 1.339 121.927 120.570 0.029 0.000 2.286 635 I HA -0.242 3.276 4.170 -1.087 0.000 0.248 635 I C 2.399 178.441 176.117 -0.125 0.000 1.115 635 I CA 0.759 62.026 61.300 -0.054 0.000 1.392 635 I CB -0.122 37.814 38.000 -0.107 0.000 1.065 635 I HN 0.071 nan 8.210 nan 0.000 0.418 636 A N 0.151 122.887 122.820 -0.141 0.000 1.873 636 A HA -0.125 3.543 4.320 -1.087 0.000 0.215 636 A C 2.400 180.020 177.584 0.059 0.000 1.186 636 A CA 1.424 53.359 52.037 -0.171 0.000 0.616 636 A CB -0.909 17.831 19.000 -0.434 0.000 0.823 636 A HN 0.200 nan 8.150 nan 0.000 0.442 637 V N 0.397 120.363 119.914 0.087 0.000 2.231 637 V HA -0.317 3.150 4.120 -1.087 0.000 0.248 637 V C 2.613 178.761 176.094 0.090 0.000 1.054 637 V CA 2.218 64.581 62.300 0.104 0.000 1.015 637 V CB -0.916 30.870 31.823 -0.062 0.000 0.638 637 V HN 0.583 nan 8.190 nan 0.000 0.444 638 L N -1.302 119.932 121.223 0.018 0.000 2.013 638 L HA -0.266 3.422 4.340 -1.087 0.000 0.212 638 L C 2.511 179.448 176.870 0.112 0.000 1.073 638 L CA 2.352 57.210 54.840 0.031 0.000 0.753 638 L CB -0.747 41.327 42.059 0.024 0.000 0.890 638 L HN 0.457 nan 8.230 nan 0.000 0.432 639 Y N 0.161 120.443 120.300 -0.030 0.000 2.242 639 Y HA -0.227 3.671 4.550 -1.087 0.000 0.291 639 Y C 2.728 178.637 175.900 0.014 0.000 1.137 639 Y CA 1.663 59.732 58.100 -0.052 0.000 1.181 639 Y CB -0.127 38.233 38.460 -0.166 0.000 0.989 639 Y HN 0.058 nan 8.280 nan 0.000 0.527 640 S N 0.054 115.792 115.700 0.064 0.000 2.345 640 S HA -0.135 3.683 4.470 -1.087 0.000 0.220 640 S C 1.744 176.348 174.600 0.007 0.000 1.031 640 S CA 1.395 59.603 58.200 0.012 0.000 0.996 640 S CB -0.688 62.620 63.200 0.180 0.000 0.882 640 S HN 0.440 nan 8.310 nan 0.000 0.445 641 F N 2.090 122.007 119.950 -0.054 0.000 2.095 641 F HA -0.155 3.719 4.527 -1.088 0.000 0.298 641 F C 2.678 178.431 175.800 -0.079 0.000 1.104 641 F CA 1.307 59.288 58.000 -0.032 0.000 1.232 641 F CB -0.709 38.297 39.000 0.011 0.000 0.987 641 F HN 0.238 nan 8.300 nan 0.000 0.475 642 Q N -0.843 119.003 119.800 0.077 0.000 2.124 642 Q HA -0.147 3.541 4.340 -1.087 0.000 0.202 642 Q C 2.259 178.184 176.000 -0.125 0.000 0.977 642 Q CA 1.726 57.513 55.803 -0.026 0.000 0.850 642 Q CB -0.321 28.396 28.738 -0.034 0.000 0.901 642 Q HN 0.254 nan 8.270 nan 0.000 0.429 643 S N 0.667 116.216 115.700 -0.253 0.000 2.489 643 S HA -0.062 3.756 4.470 -1.087 0.000 0.228 643 S C 0.592 175.083 174.600 -0.182 0.000 0.995 643 S CA 0.760 58.786 58.200 -0.290 0.000 0.934 643 S CB 0.122 63.004 63.200 -0.529 0.000 0.771 643 S HN 0.288 nan 8.310 nan 0.000 0.522 644 D N 0.463 120.770 120.400 -0.155 0.000 2.369 644 D HA 0.168 4.156 4.640 -1.087 0.000 0.211 644 D C 0.228 176.467 176.300 -0.102 0.000 1.077 644 D CA 0.095 54.018 54.000 -0.130 0.000 0.842 644 D CB 0.101 40.804 40.800 -0.162 0.000 0.947 644 D HN 0.047 nan 8.370 nan 0.000 0.509 645 K N 0.165 120.515 120.400 -0.084 0.000 3.244 645 K HA -0.144 3.524 4.320 -1.087 0.000 0.270 645 K C -1.336 175.240 176.600 -0.040 0.000 1.016 645 K CA 0.133 56.386 56.287 -0.057 0.000 0.754 645 K CB -1.550 30.916 32.500 -0.058 0.000 1.326 645 K HN -0.038 nan 8.250 nan 0.000 0.465 646 V N 1.987 121.894 119.914 -0.011 0.000 2.384 646 V HA 0.263 3.731 4.120 -1.087 0.000 0.287 646 V C 0.584 176.775 176.094 0.161 0.000 1.020 646 V CA -0.571 61.758 62.300 0.050 0.000 0.850 646 V CB 1.713 33.510 31.823 -0.042 0.000 0.987 646 V HN 0.413 nan 8.190 nan 0.000 0.436 647 T N 6.462 121.052 114.554 0.060 0.000 2.903 647 T HA 0.270 3.967 4.350 -1.087 0.000 0.299 647 T C -0.224 174.537 174.700 0.101 0.000 1.041 647 T CA 1.019 63.083 62.100 -0.061 0.000 1.138 647 T CB 0.066 68.744 68.868 -0.318 0.000 1.040 647 T HN 0.603 nan 8.240 nan 0.000 0.524 648 I N 2.159 122.739 120.570 0.015 0.000 2.908 648 I HA 0.590 4.107 4.170 -1.087 0.000 0.300 648 I C -1.540 174.609 176.117 0.053 0.000 1.385 648 I CA -0.969 60.383 61.300 0.088 0.000 1.004 648 I CB 1.897 39.886 38.000 -0.019 0.000 1.309 648 I HN 0.461 nan 8.210 nan 0.000 0.449 649 V N 6.260 126.270 119.914 0.160 0.000 2.604 649 V HA 0.465 3.933 4.120 -1.087 0.000 0.305 649 V C -0.901 175.256 176.094 0.105 0.000 1.043 649 V CA -0.419 61.971 62.300 0.150 0.000 0.888 649 V CB 1.979 33.975 31.823 0.289 0.000 0.995 649 V HN 0.813 nan 8.190 nan 0.000 0.429 650 D N 5.406 125.849 120.400 0.072 0.000 2.344 650 D HA 0.065 4.053 4.640 -1.087 0.000 0.244 650 D C 0.946 177.264 176.300 0.030 0.000 1.134 650 D CA -0.132 53.904 54.000 0.059 0.000 0.930 650 D CB 0.803 41.619 40.800 0.026 0.000 1.175 650 D HN 0.820 nan 8.370 nan 0.000 0.437 651 H N 0.616 119.641 119.070 -0.074 0.000 2.456 651 H HA -0.143 3.761 4.556 -1.087 0.000 0.296 651 H C 1.215 176.444 175.328 -0.164 0.000 1.079 651 H CA 1.152 57.114 56.048 -0.144 0.000 1.322 651 H CB -0.614 29.012 29.762 -0.227 0.000 1.388 651 H HN 0.535 nan 8.280 nan 0.000 0.538 652 H N 0.526 119.349 119.070 -0.411 0.000 2.357 652 H HA -0.063 3.841 4.556 -1.087 0.000 0.301 652 H C 2.412 177.709 175.328 -0.052 0.000 1.082 652 H CA 1.420 57.345 56.048 -0.205 0.000 1.342 652 H CB -0.047 29.577 29.762 -0.230 0.000 1.389 652 H HN 0.411 nan 8.280 nan 0.000 0.511 653 S N 0.496 116.240 115.700 0.073 0.000 2.371 653 S HA -0.057 3.761 4.470 -1.087 0.000 0.224 653 S C 2.416 177.084 174.600 0.114 0.000 1.029 653 S CA 0.932 59.185 58.200 0.088 0.000 0.978 653 S CB -0.218 63.027 63.200 0.076 0.000 0.833 653 S HN 0.449 nan 8.310 nan 0.000 0.466 654 A N 1.018 123.907 122.820 0.115 0.000 1.902 654 A HA -0.074 3.593 4.320 -1.087 0.000 0.217 654 A C 2.472 180.152 177.584 0.160 0.000 1.181 654 A CA 2.380 54.505 52.037 0.148 0.000 0.623 654 A CB -1.636 17.444 19.000 0.134 0.000 0.818 654 A HN 0.776 nan 8.150 nan 0.000 0.443 655 T N -1.951 112.679 114.554 0.127 0.000 2.857 655 T HA -0.144 3.554 4.350 -1.087 0.000 0.266 655 T C 1.762 176.590 174.700 0.213 0.000 1.048 655 T CA 1.428 63.626 62.100 0.163 0.000 1.139 655 T CB -0.382 68.548 68.868 0.103 0.000 0.874 655 T HN 0.632 nan 8.240 nan 0.000 0.455 656 E N 1.112 121.410 120.200 0.163 0.000 2.110 656 E HA -0.151 3.546 4.350 -1.087 0.000 0.193 656 E C 2.265 178.956 176.600 0.151 0.000 0.988 656 E CA 1.326 57.814 56.400 0.146 0.000 0.804 656 E CB -0.280 29.488 29.700 0.114 0.000 0.745 656 E HN 0.531 nan 8.360 nan 0.000 0.458 657 S N 0.033 115.834 115.700 0.168 0.000 2.368 657 S HA -0.119 3.698 4.470 -1.087 0.000 0.224 657 S C 1.433 176.160 174.600 0.212 0.000 1.029 657 S CA 1.004 59.305 58.200 0.169 0.000 0.988 657 S CB -0.419 62.884 63.200 0.172 0.000 0.838 657 S HN 0.403 nan 8.310 nan 0.000 0.462 658 F N 2.448 122.468 119.950 0.117 0.000 2.134 658 F HA -0.100 3.775 4.527 -1.087 0.000 0.299 658 F C 1.811 177.711 175.800 0.167 0.000 1.097 658 F CA 1.021 59.111 58.000 0.150 0.000 1.264 658 F CB -0.264 38.805 39.000 0.116 0.000 1.001 658 F HN 0.094 nan 8.300 nan 0.000 0.479 659 I N 0.914 121.557 120.570 0.122 0.000 2.179 659 I HA -0.301 3.216 4.170 -1.087 0.000 0.242 659 I C 2.417 178.507 176.117 -0.045 0.000 1.088 659 I CA 1.762 63.073 61.300 0.018 0.000 1.357 659 I CB -1.480 36.587 38.000 0.113 0.000 1.051 659 I HN 0.207 nan 8.210 nan 0.000 0.409 660 K N 0.374 120.785 120.400 0.019 0.000 2.103 660 K HA -0.280 3.388 4.320 -1.087 0.000 0.207 660 K C 2.320 178.922 176.600 0.002 0.000 1.048 660 K CA 1.820 58.118 56.287 0.019 0.000 0.930 660 K CB -0.333 32.199 32.500 0.053 0.000 0.716 660 K HN 0.346 nan 8.250 nan 0.000 0.444 661 H N -0.175 118.823 119.070 -0.120 0.000 2.428 661 H HA 0.052 3.956 4.556 -1.087 0.000 0.296 661 H C 1.855 177.045 175.328 -0.229 0.000 1.062 661 H CA 1.935 57.893 56.048 -0.151 0.000 1.350 661 H CB 0.035 29.711 29.762 -0.144 0.000 1.403 661 H HN 0.177 nan 8.280 nan 0.000 0.533 662 M N 0.198 119.519 119.600 -0.464 0.000 2.065 662 M HA -0.180 3.647 4.480 -1.087 0.000 0.259 662 M C 2.112 178.367 176.300 -0.075 0.000 1.069 662 M CA 2.138 57.236 55.300 -0.336 0.000 1.110 662 M CB -0.133 32.306 32.600 -0.269 0.000 1.328 662 M HN 0.451 nan 8.290 nan 0.000 0.405 663 E N 0.162 120.315 120.200 -0.079 0.000 2.086 663 E HA -0.242 3.456 4.350 -1.087 0.000 0.200 663 E C 1.698 178.295 176.600 -0.005 0.000 1.012 663 E CA 1.434 57.822 56.400 -0.020 0.000 0.812 663 E CB -0.487 29.195 29.700 -0.030 0.000 0.743 663 E HN 0.534 nan 8.360 nan 0.000 0.453 664 N N 0.836 119.499 118.700 -0.061 0.000 2.104 664 N HA -0.153 3.934 4.740 -1.087 0.000 0.190 664 N C 1.690 177.144 175.510 -0.094 0.000 1.024 664 N CA 1.002 54.019 53.050 -0.054 0.000 0.853 664 N CB -0.197 38.276 38.487 -0.023 0.000 1.008 664 N HN 0.232 nan 8.380 nan 0.000 0.424 665 E N 0.037 120.104 120.200 -0.221 0.000 2.150 665 E HA -0.113 3.585 4.350 -1.087 0.000 0.193 665 E C 1.845 178.302 176.600 -0.239 0.000 0.985 665 E CA 0.562 56.797 56.400 -0.275 0.000 0.814 665 E CB -0.328 29.092 29.700 -0.467 0.000 0.752 665 E HN 0.489 nan 8.360 nan 0.000 0.466 666 Y N 1.686 121.898 120.300 -0.147 0.000 2.145 666 Y HA -0.208 3.690 4.550 -1.087 0.000 0.286 666 Y C 2.689 178.547 175.900 -0.069 0.000 1.145 666 Y CA 2.082 60.129 58.100 -0.088 0.000 1.148 666 Y CB -0.227 38.191 38.460 -0.070 0.000 0.981 666 Y HN 0.088 nan 8.280 nan 0.000 0.507 667 R N -1.389 119.154 120.500 0.072 0.000 2.115 667 R HA -0.059 3.629 4.340 -1.087 0.000 0.226 667 R C 1.650 177.946 176.300 -0.007 0.000 1.100 667 R CA 1.770 57.889 56.100 0.032 0.000 0.980 667 R CB -1.149 29.167 30.300 0.027 0.000 0.875 667 R HN 0.271 nan 8.270 nan 0.000 0.445 668 C N -0.554 118.728 119.300 -0.029 0.000 2.735 668 C HA 0.374 4.182 4.460 -1.087 0.000 0.271 668 C C 2.089 177.045 174.990 -0.057 0.000 1.281 668 C CA -0.276 58.724 59.018 -0.030 0.000 1.719 668 C CB -0.424 27.312 27.740 -0.006 0.000 2.024 668 C HN 0.554 nan 8.230 nan 0.000 0.566 669 R N -0.546 119.890 120.500 -0.105 0.000 2.582 669 R HA 0.258 3.946 4.340 -1.087 0.000 0.285 669 R C 1.379 177.575 176.300 -0.174 0.000 0.940 669 R CA 0.938 56.958 56.100 -0.135 0.000 1.072 669 R CB 0.567 30.765 30.300 -0.169 0.000 1.527 669 R HN 0.370 nan 8.270 nan 0.000 0.538 670 G N -0.108 108.575 108.800 -0.195 0.000 2.175 670 G HA2 -0.146 3.162 3.960 -1.087 0.000 0.244 670 G HA3 -0.146 3.162 3.960 -1.087 0.000 0.244 670 G C 0.179 174.842 174.900 -0.395 0.000 0.982 670 G CA -0.001 44.966 45.100 -0.221 0.000 0.641 670 G HN 0.812 nan 8.290 nan 0.000 0.527 671 G N -2.309 106.096 108.800 -0.659 0.000 2.341 671 G HA2 0.524 3.832 3.960 -1.087 0.000 0.293 671 G HA3 0.524 3.832 3.960 -1.087 0.000 0.293 671 G C -0.973 173.459 174.900 -0.779 0.000 1.298 671 G CA 0.396 44.760 45.100 -1.227 0.000 0.868 671 G HN 1.801 nan 8.290 nan 0.000 0.540 672 C N 2.246 121.202 119.300 -0.574 0.000 2.892 672 C HA 0.663 4.470 4.460 -1.087 0.000 0.360 672 C C -2.497 172.395 174.990 -0.163 0.000 1.054 672 C CA -1.245 57.618 59.018 -0.258 0.000 1.326 672 C CB 0.782 28.413 27.740 -0.181 0.000 1.806 672 C HN 0.661 nan 8.230 nan 0.000 0.490 673 P HA 0.363 nan 4.420 nan 0.000 0.263 673 P C -0.576 176.611 177.300 -0.189 0.000 1.195 673 P CA 0.719 63.418 63.100 -0.670 0.000 0.762 673 P CB 0.905 32.088 31.700 -0.861 0.000 0.799 674 A N 2.600 125.376 122.820 -0.073 0.000 2.488 674 A HA 0.453 4.120 4.320 -1.087 0.000 0.298 674 A C -1.220 176.424 177.584 0.100 0.000 1.044 674 A CA -0.514 51.588 52.037 0.108 0.000 0.693 674 A CB 1.385 20.579 19.000 0.324 0.000 1.272 674 A HN 0.425 nan 8.150 nan 0.000 0.402 675 D N 1.817 122.270 120.400 0.090 0.000 2.472 675 D HA 0.184 4.172 4.640 -1.087 0.000 0.234 675 D C 0.677 177.120 176.300 0.238 0.000 1.088 675 D CA -0.527 53.555 54.000 0.138 0.000 0.882 675 D CB 0.383 41.208 40.800 0.042 0.000 1.037 675 D HN 0.587 nan 8.370 nan 0.000 0.520 676 W N 3.899 125.240 121.300 0.069 0.000 2.325 676 W HA -0.237 3.771 4.660 -1.087 0.000 0.299 676 W C 1.540 178.096 176.519 0.060 0.000 1.215 676 W CA 1.112 58.483 57.345 0.045 0.000 1.244 676 W CB 0.123 29.587 29.460 0.007 0.000 1.140 676 W HN 0.295 nan 8.180 nan 0.000 0.523 677 V N -0.380 119.854 119.914 0.534 0.000 2.469 677 V HA -0.309 3.159 4.120 -1.087 0.000 0.251 677 V C 1.456 177.643 176.094 0.154 0.000 1.064 677 V CA 2.090 64.636 62.300 0.410 0.000 1.066 677 V CB -0.865 31.214 31.823 0.426 0.000 0.667 677 V HN 0.309 nan 8.190 nan 0.000 0.461 678 W N -1.612 119.678 121.300 -0.016 0.000 2.762 678 W HA 0.261 4.268 4.660 -1.088 0.000 0.265 678 W C 2.140 178.559 176.519 -0.166 0.000 1.263 678 W CA -0.155 57.150 57.345 -0.067 0.000 1.411 678 W CB -0.117 29.326 29.460 -0.027 0.000 1.065 678 W HN 0.066 nan 8.180 nan 0.000 0.609 679 I N 0.037 120.580 120.570 -0.044 0.000 2.286 679 I HA -0.088 3.430 4.170 -1.087 0.000 0.245 679 I C 0.679 176.602 176.117 -0.323 0.000 1.104 679 I CA 0.839 61.981 61.300 -0.262 0.000 1.397 679 I CB -1.561 36.200 38.000 -0.398 0.000 1.072 679 I HN -0.404 nan 8.210 nan 0.000 0.417 680 V N 4.448 124.078 119.914 -0.473 0.000 2.450 680 V HA 0.047 3.515 4.120 -1.087 0.000 0.281 680 V C -1.863 174.053 176.094 -0.297 0.000 1.019 680 V CA -0.962 61.045 62.300 -0.489 0.000 1.062 680 V CB -0.228 31.038 31.823 -0.927 0.000 0.979 680 V HN 0.148 nan 8.190 nan 0.000 0.477 681 P HA 0.150 nan 4.420 nan 0.000 0.269 681 P C -1.932 175.244 177.300 -0.207 0.000 1.215 681 P CA -1.328 61.657 63.100 -0.191 0.000 0.780 681 P CB 0.009 31.611 31.700 -0.164 0.000 0.898 682 P HA 0.032 nan 4.420 nan 0.000 0.245 682 P C 0.027 177.217 177.300 -0.183 0.000 1.212 682 P CA 0.991 63.976 63.100 -0.191 0.000 0.774 682 P CB 0.045 31.629 31.700 -0.194 0.000 0.999 683 M N -4.420 115.036 119.600 -0.239 0.000 2.572 683 M HA 0.547 4.374 4.480 -1.087 0.000 0.299 683 M C -0.154 176.038 176.300 -0.181 0.000 1.205 683 M CA -0.617 54.556 55.300 -0.211 0.000 0.876 683 M CB 2.049 34.501 32.600 -0.247 0.000 1.728 683 M HN -0.359 nan 8.290 nan 0.000 0.458 684 S N 0.523 116.168 115.700 -0.092 0.000 3.533 684 S HA -0.197 3.621 4.470 -1.087 0.000 0.347 684 S C 1.159 175.733 174.600 -0.043 0.000 1.101 684 S CA 0.900 59.084 58.200 -0.028 0.000 1.009 684 S CB -2.098 61.158 63.200 0.094 0.000 0.916 684 S HN 1.229 nan 8.310 nan 0.000 0.496 685 G N 2.191 110.941 108.800 -0.083 0.000 2.624 685 G HA2 -0.368 2.940 3.960 -1.087 0.000 0.221 685 G HA3 -0.368 2.940 3.960 -1.087 0.000 0.221 685 G C 1.448 176.270 174.900 -0.130 0.000 1.169 685 G CA 1.717 46.788 45.100 -0.047 0.000 0.771 685 G HN 1.327 nan 8.290 nan 0.000 0.598 686 S N 0.512 115.892 115.700 -0.535 0.000 2.561 686 S HA 0.088 3.906 4.470 -1.087 0.000 0.225 686 S C 2.036 176.583 174.600 -0.088 0.000 0.977 686 S CA 0.834 58.550 58.200 -0.808 0.000 0.926 686 S CB -0.337 62.088 63.200 -1.291 0.000 0.769 686 S HN 0.788 nan 8.310 nan 0.000 0.533 687 I N 0.648 121.222 120.570 0.007 0.000 3.861 687 I HA 0.297 3.815 4.170 -1.087 0.000 0.329 687 I C 0.254 176.492 176.117 0.202 0.000 1.321 687 I CA -0.408 60.968 61.300 0.127 0.000 1.126 687 I CB -0.372 37.702 38.000 0.124 0.000 1.018 687 I HN 0.200 nan 8.210 nan 0.000 0.407 688 T N -1.906 112.760 114.554 0.188 0.000 2.888 688 T HA 0.494 4.192 4.350 -1.087 0.000 0.284 688 T C -1.855 173.000 174.700 0.258 0.000 1.017 688 T CA -1.919 60.298 62.100 0.195 0.000 1.022 688 T CB 1.776 70.708 68.868 0.107 0.000 1.013 688 T HN -0.106 nan 8.240 nan 0.000 0.465 689 P HA 0.016 nan 4.420 nan 0.000 0.233 689 P C 1.650 179.130 177.300 0.301 0.000 1.167 689 P CA 0.352 63.617 63.100 0.276 0.000 0.770 689 P CB -0.307 31.512 31.700 0.198 0.000 0.837 690 V N -4.537 115.518 119.914 0.234 0.000 2.719 690 V HA -0.120 3.348 4.120 -1.087 0.000 0.252 690 V C 2.265 178.451 176.094 0.154 0.000 1.065 690 V CA 0.748 63.156 62.300 0.180 0.000 1.086 690 V CB -2.064 29.792 31.823 0.056 0.000 0.700 690 V HN -0.124 nan 8.190 nan 0.000 0.467 691 F N 1.981 121.948 119.950 0.029 0.000 2.120 691 F HA -0.191 3.684 4.527 -1.087 0.000 0.300 691 F C 2.483 178.412 175.800 0.216 0.000 1.095 691 F CA 2.342 60.359 58.000 0.029 0.000 1.249 691 F CB -0.284 38.636 39.000 -0.134 0.000 0.995 691 F HN 0.271 nan 8.300 nan 0.000 0.480 692 H N -1.092 118.272 119.070 0.489 0.000 2.533 692 H HA 0.086 3.990 4.556 -1.087 0.000 0.271 692 H C 0.244 175.804 175.328 0.386 0.000 1.000 692 H CA 0.184 56.485 56.048 0.422 0.000 1.149 692 H CB -0.142 29.868 29.762 0.414 0.000 1.375 692 H HN 0.236 nan 8.280 nan 0.000 0.582 693 Q N 2.107 122.173 119.800 0.444 0.000 2.398 693 Q HA 0.135 3.823 4.340 -1.087 0.000 0.251 693 Q C -0.581 175.644 176.000 0.375 0.000 0.999 693 Q CA -0.403 55.616 55.803 0.359 0.000 0.874 693 Q CB 0.478 29.401 28.738 0.308 0.000 1.215 693 Q HN 0.253 nan 8.270 nan 0.000 0.470 694 E N 3.455 123.829 120.200 0.291 0.000 2.442 694 E HA 0.114 3.812 4.350 -1.087 0.000 0.262 694 E C -0.445 176.286 176.600 0.218 0.000 1.004 694 E CA 0.633 57.159 56.400 0.210 0.000 0.928 694 E CB 0.630 30.436 29.700 0.177 0.000 0.937 694 E HN 0.594 nan 8.360 nan 0.000 0.446 695 M N 2.437 122.171 119.600 0.224 0.000 2.501 695 M HA 0.383 4.210 4.480 -1.087 0.000 0.293 695 M C -1.076 175.343 176.300 0.198 0.000 1.192 695 M CA -0.648 54.803 55.300 0.251 0.000 0.886 695 M CB 1.796 34.595 32.600 0.331 0.000 1.710 695 M HN 0.247 nan 8.290 nan 0.000 0.457 696 L N 1.962 123.318 121.223 0.221 0.000 2.313 696 L HA 0.499 4.187 4.340 -1.087 0.000 0.283 696 L C -0.447 176.516 176.870 0.156 0.000 1.013 696 L CA -0.393 54.581 54.840 0.224 0.000 0.816 696 L CB 1.536 43.789 42.059 0.323 0.000 1.236 696 L HN 0.710 nan 8.230 nan 0.000 0.419 697 N N 3.387 122.171 118.700 0.139 0.000 2.424 697 N HA 0.492 4.579 4.740 -1.087 0.000 0.271 697 N C -1.730 173.848 175.510 0.113 0.000 0.985 697 N CA -0.375 52.688 53.050 0.022 0.000 0.921 697 N CB 1.190 39.701 38.487 0.039 0.000 1.149 697 N HN 0.468 nan 8.380 nan 0.000 0.492 698 Y N 0.300 120.612 120.300 0.020 0.000 2.609 698 Y HA 0.493 4.391 4.550 -1.087 0.000 0.336 698 Y C -1.235 174.659 175.900 -0.009 0.000 1.129 698 Y CA -1.342 56.764 58.100 0.010 0.000 1.040 698 Y CB 0.827 39.306 38.460 0.033 0.000 1.310 698 Y HN 0.165 nan 8.280 nan 0.000 0.460 699 R N 2.618 123.213 120.500 0.158 0.000 2.229 699 R HA 0.613 4.301 4.340 -1.087 0.000 0.332 699 R C -1.351 175.002 176.300 0.088 0.000 0.989 699 R CA -0.621 55.511 56.100 0.053 0.000 0.842 699 R CB 1.435 31.743 30.300 0.013 0.000 1.119 699 R HN 0.716 nan 8.270 nan 0.000 0.456 700 L N 1.674 122.926 121.223 0.048 0.000 2.330 700 L HA 0.516 4.204 4.340 -1.087 0.000 0.271 700 L C 0.561 177.434 176.870 0.005 0.000 1.013 700 L CA -0.886 53.983 54.840 0.048 0.000 0.816 700 L CB 2.258 44.348 42.059 0.052 0.000 1.287 700 L HN 0.622 nan 8.230 nan 0.000 0.435 701 T N -1.123 113.442 114.554 0.017 0.000 2.895 701 T HA 0.563 4.261 4.350 -1.087 0.000 0.283 701 T C -2.626 172.105 174.700 0.052 0.000 1.014 701 T CA -2.194 59.911 62.100 0.009 0.000 1.037 701 T CB 1.507 70.384 68.868 0.014 0.000 1.006 701 T HN 0.192 nan 8.240 nan 0.000 0.468 702 P HA 0.303 nan 4.420 nan 0.000 0.268 702 P C -0.490 176.716 177.300 -0.157 0.000 1.208 702 P CA -0.160 62.893 63.100 -0.078 0.000 0.777 702 P CB 0.500 32.140 31.700 -0.099 0.000 0.875 703 S N 0.321 115.880 115.700 -0.235 0.000 2.625 703 S HA 0.670 4.488 4.470 -1.087 0.000 0.271 703 S C -1.300 173.069 174.600 -0.385 0.000 1.161 703 S CA -0.831 57.213 58.200 -0.259 0.000 0.820 703 S CB 0.785 63.914 63.200 -0.118 0.000 1.137 703 S HN 0.129 nan 8.310 nan 0.000 0.470 704 F N 1.110 121.016 119.950 -0.072 0.000 2.421 704 F HA 0.664 4.538 4.527 -1.088 0.000 0.337 704 F C 0.807 176.566 175.800 -0.070 0.000 1.105 704 F CA -0.357 57.613 58.000 -0.050 0.000 1.049 704 F CB 1.448 40.403 39.000 -0.075 0.000 1.139 704 F HN 0.486 nan 8.300 nan 0.000 0.479 705 E N 1.753 122.047 120.200 0.156 0.000 2.369 705 E HA 0.280 3.978 4.350 -1.087 0.000 0.270 705 E C -1.113 175.575 176.600 0.147 0.000 0.909 705 E CA -0.845 55.570 56.400 0.025 0.000 0.775 705 E CB 2.028 31.734 29.700 0.010 0.000 1.270 705 E HN 0.543 nan 8.360 nan 0.000 0.445 706 Y N 0.791 121.103 120.300 0.020 0.000 2.330 706 Y HA 0.138 4.036 4.550 -1.087 0.000 0.341 706 Y C 1.104 176.991 175.900 -0.021 0.000 1.278 706 Y CA -0.377 57.720 58.100 -0.005 0.000 1.453 706 Y CB 0.898 39.344 38.460 -0.025 0.000 1.342 706 Y HN 0.336 nan 8.280 nan 0.000 0.590 707 Q N 0.437 120.311 119.800 0.123 0.000 2.435 707 Q HA 0.458 4.146 4.340 -1.087 0.000 0.282 707 Q C -3.173 172.769 176.000 -0.096 0.000 1.020 707 Q CA -2.393 53.414 55.803 0.007 0.000 0.820 707 Q CB 1.696 30.430 28.738 -0.007 0.000 1.436 707 Q HN 0.267 nan 8.270 nan 0.000 0.395 708 P HA 0.069 nan 4.420 nan 0.000 0.266 708 P C -0.739 176.317 177.300 -0.407 0.000 1.195 708 P CA 0.015 62.972 63.100 -0.238 0.000 0.768 708 P CB 0.324 31.900 31.700 -0.208 0.000 0.838 709 D N 4.061 124.104 120.400 -0.596 0.000 2.586 709 D HA -0.049 3.939 4.640 -1.087 0.000 0.234 709 D C -1.065 174.567 176.300 -1.113 0.000 1.132 709 D CA -0.622 52.728 54.000 -1.083 0.000 0.860 709 D CB 0.340 40.127 40.800 -1.688 0.000 1.159 709 D HN 0.288 nan 8.370 nan 0.000 0.490 710 P HA -0.118 nan 4.420 nan 0.000 0.223 710 P C 1.364 178.128 177.300 -0.894 0.000 1.151 710 P CA 0.940 63.472 63.100 -0.947 0.000 0.787 710 P CB -0.099 30.841 31.700 -1.268 0.000 0.788 711 W N 0.605 121.413 121.300 -0.820 0.000 2.467 711 W HA 0.080 4.084 4.660 -1.092 0.000 0.275 711 W C 1.412 177.828 176.519 -0.171 0.000 1.239 711 W CA 0.434 57.490 57.345 -0.482 0.000 1.266 711 W CB -2.206 27.165 29.460 -0.148 0.000 1.112 711 W HN -0.183 nan 8.180 nan 0.000 0.576 712 N N 0.422 118.977 118.700 -0.242 0.000 2.396 712 N HA -0.072 4.016 4.740 -1.087 0.000 0.180 712 N C 1.288 176.733 175.510 -0.109 0.000 1.028 712 N CA 1.907 54.901 53.050 -0.094 0.000 0.893 712 N CB -0.380 38.002 38.487 -0.175 0.000 0.967 712 N HN 0.279 nan 8.380 nan 0.000 0.440 713 T N -0.840 113.600 114.554 -0.190 0.000 3.044 713 T HA -0.029 3.669 4.350 -1.087 0.000 0.237 713 T C 0.478 175.103 174.700 -0.126 0.000 1.001 713 T CA -0.033 61.976 62.100 -0.152 0.000 1.160 713 T CB -0.111 68.648 68.868 -0.182 0.000 0.889 713 T HN 0.283 nan 8.240 nan 0.000 0.442 714 H N 2.529 121.452 119.070 -0.246 0.000 2.948 714 H HA 0.306 4.213 4.556 -1.082 0.000 0.351 714 H C -0.430 174.713 175.328 -0.308 0.000 1.079 714 H CA -0.186 55.718 56.048 -0.241 0.000 1.407 714 H CB 0.422 30.063 29.762 -0.203 0.000 1.373 714 H HN 0.064 nan 8.280 nan 0.000 0.605 715 V N 3.073 122.387 119.914 -0.999 0.000 2.417 715 V HA 0.322 3.789 4.120 -1.087 0.000 0.291 715 V C -0.235 175.312 176.094 -0.911 0.000 1.024 715 V CA -1.202 60.648 62.300 -0.750 0.000 0.861 715 V CB 0.318 31.950 31.823 -0.319 0.000 0.985 715 V HN 0.767 nan 8.190 nan 0.000 0.436 716 W N 0.000 121.144 121.300 -0.259 0.000 2.388 716 W HA 0.000 4.001 4.660 -1.099 0.000 0.303 716 W CA 0.000 57.323 57.345 -0.036 0.000 1.226 716 W CB 0.000 29.491 29.460 0.052 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535