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 2x6i_1_A DATA FIRST_RESID 291 DATA SEQUENCE ASIRDQLHTI VYRYPPTYVL SSEEQDLVWK FRFYLSSHKK ALTKFLKCIN DATA SEQUENCE WKLEDEVTQA LWMLANWAPM DVEDALELLS PTFTHPQVRK YAVSRLAQAP DATA SEQUENCE DEDLLLYLLQ LVQALKYEDP RHIVHLHGCI FPXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX ANLCTFLIQR DATA SEQUENCE ACTNATLANY FYWYLSIEVE EXXXXRKQDE RAHDMYAMVL KMFLKVLENG DATA SEQUENCE NFNLRGIFYN LRKQRRFIDE LVKLVKLVAK EPGNRNKKTE KFQKLLAEQD DATA SEQUENCE MFKVNFTNFE PIPFPLDPEI YITKIVPMRT SLFKSALMPA KLTFVTSIAH DATA SEQUENCE HEYAAIFKHG DDLRQDQLIL QMITLMDKLL RRENLDLKLT PYKVLATSSK DATA SEQUENCE HGFLQYVDSC TVAEVLAREG NIHNFFRKHH PCDNGPYGIS AEVMDTYIKS DATA SEQUENCE CAGYCVITYL LGVGDRHLDN LLLTTNGKLF HIDFGYILGR DPKPMPPPMK DATA SEQUENCE LSKEMVEAMG GISSEHHHEF RKQCYTAYLH LRRHANVMLN LFSLMVDATV DATA SEQUENCE PDIALEPDKA VKKVEENLQL GLTDEEAVQH LQSLLDVSIT AVMPALVEQI DATA SEQUENCE HRFTQYWR 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 291 A HA 0.000 nan 4.320 nan 0.000 0.244 291 A C 0.000 177.589 177.584 0.008 0.000 1.274 291 A CA 0.000 52.048 52.037 0.019 0.000 0.836 291 A CB 0.000 19.002 19.000 0.003 0.000 0.831 292 S N -0.644 115.056 115.700 -0.000 0.000 2.439 292 S HA 0.117 4.595 4.470 0.014 0.000 0.224 292 S C 1.665 176.253 174.600 -0.019 0.000 1.029 292 S CA 1.148 59.343 58.200 -0.008 0.000 0.946 292 S CB -0.296 62.900 63.200 -0.007 0.000 0.797 292 S HN 0.497 nan 8.310 nan 0.000 0.504 293 I N 2.392 122.949 120.570 -0.021 0.000 2.394 293 I HA -0.213 3.965 4.170 0.014 0.000 0.251 293 I C 2.611 178.700 176.117 -0.047 0.000 1.136 293 I CA 1.059 62.340 61.300 -0.031 0.000 1.425 293 I CB -0.184 37.801 38.000 -0.026 0.000 1.079 293 I HN 0.297 nan 8.210 nan 0.000 0.425 294 R N 1.497 121.966 120.500 -0.051 0.000 2.105 294 R HA -0.236 4.112 4.340 0.014 0.000 0.239 294 R C 1.512 177.792 176.300 -0.033 0.000 1.135 294 R CA 2.367 58.413 56.100 -0.090 0.000 0.967 294 R CB -0.759 29.463 30.300 -0.131 0.000 0.861 294 R HN 0.499 nan 8.270 nan 0.000 0.442 295 D N -0.880 119.515 120.400 -0.008 0.000 2.327 295 D HA -0.108 4.540 4.640 0.014 0.000 0.205 295 D C 1.879 178.207 176.300 0.047 0.000 0.989 295 D CA -0.010 54.025 54.000 0.059 0.000 0.873 295 D CB -0.123 40.669 40.800 -0.014 0.000 0.955 295 D HN 0.141 nan 8.370 nan 0.000 0.515 296 Q N 0.604 120.395 119.800 -0.014 0.000 2.167 296 Q HA 0.030 4.378 4.340 0.014 0.000 0.202 296 Q C 1.885 177.851 176.000 -0.057 0.000 0.970 296 Q CA 1.142 56.922 55.803 -0.038 0.000 0.855 296 Q CB -0.297 28.418 28.738 -0.039 0.000 0.911 296 Q HN 0.454 nan 8.270 nan 0.000 0.438 297 L N -0.882 120.288 121.223 -0.088 0.000 2.217 297 L HA -0.132 4.216 4.340 0.014 0.000 0.211 297 L C 2.121 178.884 176.870 -0.178 0.000 1.107 297 L CA 0.826 55.570 54.840 -0.160 0.000 0.783 297 L CB -0.434 41.478 42.059 -0.244 0.000 0.919 297 L HN 0.317 nan 8.230 nan 0.000 0.442 298 H N -0.450 118.617 119.070 -0.005 0.000 2.431 298 H HA -0.010 4.554 4.556 0.014 0.000 0.295 298 H C 2.379 177.833 175.328 0.211 0.000 1.038 298 H CA 1.842 57.967 56.048 0.129 0.000 1.360 298 H CB 0.062 29.948 29.762 0.207 0.000 1.433 298 H HN 0.361 nan 8.280 nan 0.000 0.536 299 T N -0.039 114.590 114.554 0.125 0.000 2.881 299 T HA -0.061 4.297 4.350 0.014 0.000 0.270 299 T C 2.019 176.607 174.700 -0.186 0.000 1.068 299 T CA 0.614 62.695 62.100 -0.031 0.000 1.131 299 T CB -0.179 68.617 68.868 -0.120 0.000 0.871 299 T HN 0.106 nan 8.240 nan 0.000 0.479 300 I N 1.004 121.433 120.570 -0.235 0.000 2.439 300 I HA -0.023 4.155 4.170 0.014 0.000 0.251 300 I C 2.378 178.337 176.117 -0.264 0.000 1.139 300 I CA 0.856 61.882 61.300 -0.457 0.000 1.438 300 I CB -0.643 37.232 38.000 -0.207 0.000 1.085 300 I HN 0.223 nan 8.210 nan 0.000 0.427 301 V N -1.007 118.872 119.914 -0.058 0.000 2.825 301 V HA -0.141 3.987 4.120 0.014 0.000 0.246 301 V C 2.147 178.258 176.094 0.028 0.000 1.068 301 V CA 0.746 63.046 62.300 0.000 0.000 1.088 301 V CB -0.638 31.186 31.823 0.003 0.000 0.733 301 V HN 0.194 nan 8.190 nan 0.000 0.468 302 Y N 0.811 121.099 120.300 -0.020 0.000 2.352 302 Y HA -0.001 4.557 4.550 0.013 0.000 0.292 302 Y C 2.026 177.916 175.900 -0.015 0.000 1.136 302 Y CA 1.268 59.378 58.100 0.017 0.000 1.227 302 Y CB 0.234 38.711 38.460 0.029 0.000 0.991 302 Y HN 0.114 nan 8.280 nan 0.000 0.545 303 R N -2.075 118.471 120.500 0.077 0.000 2.569 303 R HA 0.167 4.515 4.340 0.014 0.000 0.429 303 R C -0.482 175.918 176.300 0.166 0.000 0.994 303 R CA 0.018 56.146 56.100 0.046 0.000 1.089 303 R CB 0.091 30.383 30.300 -0.013 0.000 1.420 303 R HN 0.352 nan 8.270 nan 0.000 0.615 304 Y N -0.024 120.227 120.300 -0.082 0.000 3.105 304 Y HA 0.378 4.937 4.550 0.013 0.000 0.216 304 Y C -1.641 174.104 175.900 -0.259 0.000 0.943 304 Y CA -0.809 57.191 58.100 -0.168 0.000 1.535 304 Y CB 1.021 39.374 38.460 -0.177 0.000 1.475 304 Y HN 0.032 nan 8.280 nan 0.000 0.435 305 P HA 0.317 nan 4.420 nan 0.000 0.314 305 P C -2.553 174.669 177.300 -0.130 0.000 1.401 305 P CA -1.799 61.125 63.100 -0.294 0.000 1.175 305 P CB 2.762 33.985 31.700 -0.794 0.000 1.676 306 P HA 0.094 nan 4.420 nan 0.000 0.275 306 P C 0.396 177.710 177.300 0.024 0.000 1.310 306 P CA 0.399 63.490 63.100 -0.014 0.000 0.904 306 P CB 0.269 31.950 31.700 -0.031 0.000 1.381 307 T N -6.013 108.586 114.554 0.076 0.000 3.111 307 T HA 0.200 4.558 4.350 0.014 0.000 0.284 307 T C 0.287 175.122 174.700 0.225 0.000 0.983 307 T CA -0.347 61.821 62.100 0.113 0.000 0.900 307 T CB -0.883 68.033 68.868 0.080 0.000 1.132 307 T HN -0.089 nan 8.240 nan 0.000 0.531 308 Y N 0.919 121.227 120.300 0.013 0.000 2.620 308 Y HA 0.161 4.719 4.550 0.013 0.000 0.330 308 Y C 1.697 177.614 175.900 0.030 0.000 1.186 308 Y CA -0.794 57.317 58.100 0.019 0.000 1.467 308 Y CB 1.122 39.597 38.460 0.026 0.000 1.262 308 Y HN -0.094 nan 8.280 nan 0.000 0.550 309 V N 6.166 126.120 119.914 0.066 0.000 2.488 309 V HA -0.295 3.833 4.120 0.014 0.000 0.246 309 V C 2.166 178.298 176.094 0.064 0.000 1.046 309 V CA 1.667 63.997 62.300 0.051 0.000 1.053 309 V CB -0.539 31.280 31.823 -0.007 0.000 0.679 309 V HN 0.887 nan 8.190 nan 0.000 0.458 310 L N 1.453 122.690 121.223 0.023 0.000 2.166 310 L HA -0.233 4.115 4.340 0.014 0.000 0.228 310 L C 1.654 178.568 176.870 0.073 0.000 1.101 310 L CA 2.075 56.936 54.840 0.035 0.000 0.821 310 L CB -1.329 40.783 42.059 0.089 0.000 0.908 310 L HN 0.510 nan 8.230 nan 0.000 0.447 311 S N -0.180 115.582 115.700 0.104 0.000 2.887 311 S HA 0.117 4.595 4.470 0.014 0.000 0.337 311 S C 0.577 175.221 174.600 0.073 0.000 1.209 311 S CA 0.023 58.270 58.200 0.079 0.000 1.186 311 S CB 0.701 63.946 63.200 0.075 0.000 0.925 311 S HN 0.603 nan 8.310 nan 0.000 0.522 312 S N 2.435 118.173 115.700 0.063 0.000 3.829 312 S HA 0.115 4.593 4.470 0.014 0.000 0.201 312 S C 1.462 176.105 174.600 0.072 0.000 1.005 312 S CA -0.403 57.838 58.200 0.068 0.000 0.935 312 S CB -0.196 63.036 63.200 0.053 0.000 1.181 312 S HN 0.675 nan 8.310 nan 0.000 0.622 313 E N 2.210 122.445 120.200 0.060 0.000 2.158 313 E HA 0.003 4.361 4.350 0.014 0.000 0.191 313 E C 1.560 178.203 176.600 0.071 0.000 0.982 313 E CA 0.660 57.099 56.400 0.064 0.000 0.823 313 E CB -0.430 29.296 29.700 0.044 0.000 0.766 313 E HN 0.615 nan 8.360 nan 0.000 0.468 314 E N 1.388 121.619 120.200 0.051 0.000 2.160 314 E HA -0.217 4.142 4.350 0.014 0.000 0.195 314 E C 2.046 178.694 176.600 0.080 0.000 0.991 314 E CA 0.874 57.296 56.400 0.038 0.000 0.810 314 E CB -0.228 29.481 29.700 0.014 0.000 0.742 314 E HN 0.374 nan 8.360 nan 0.000 0.466 315 Q N 0.642 120.492 119.800 0.082 0.000 2.135 315 Q HA -0.194 4.154 4.340 0.014 0.000 0.204 315 Q C 1.583 177.678 176.000 0.159 0.000 0.981 315 Q CA 1.394 57.240 55.803 0.072 0.000 0.856 315 Q CB 0.002 28.761 28.738 0.035 0.000 0.902 315 Q HN 0.279 nan 8.270 nan 0.000 0.425 316 D N 0.196 120.737 120.400 0.235 0.000 2.234 316 D HA -0.048 4.600 4.640 0.014 0.000 0.205 316 D C 1.852 178.336 176.300 0.307 0.000 0.962 316 D CA 0.652 54.874 54.000 0.370 0.000 0.855 316 D CB 0.047 41.010 40.800 0.271 0.000 0.951 316 D HN 0.236 nan 8.370 nan 0.000 0.500 317 L N 0.401 121.769 121.223 0.241 0.000 2.093 317 L HA -0.111 4.237 4.340 0.014 0.000 0.208 317 L C 2.329 179.429 176.870 0.383 0.000 1.085 317 L CA 0.630 55.641 54.840 0.285 0.000 0.755 317 L CB -0.281 41.888 42.059 0.184 0.000 0.904 317 L HN -0.048 nan 8.230 nan 0.000 0.435 318 V N -2.036 118.059 119.914 0.301 0.000 2.591 318 V HA -0.184 3.945 4.120 0.014 0.000 0.249 318 V C 2.064 178.227 176.094 0.115 0.000 1.053 318 V CA 0.815 63.207 62.300 0.153 0.000 1.068 318 V CB -0.673 31.165 31.823 0.026 0.000 0.689 318 V HN 0.568 nan 8.190 nan 0.000 0.462 319 W N 2.895 124.160 121.300 -0.059 0.000 2.350 319 W HA -0.185 4.483 4.660 0.014 0.000 0.289 319 W C 2.229 178.671 176.519 -0.128 0.000 1.215 319 W CA 2.456 59.701 57.345 -0.168 0.000 1.236 319 W CB -0.032 29.390 29.460 -0.063 0.000 1.130 319 W HN 0.458 nan 8.180 nan 0.000 0.541 320 K N -2.582 117.979 120.400 0.269 0.000 2.313 320 K HA 0.043 4.371 4.320 0.014 0.000 0.197 320 K C 1.962 178.519 176.600 -0.072 0.000 1.061 320 K CA 0.533 56.891 56.287 0.119 0.000 0.980 320 K CB -1.246 31.235 32.500 -0.032 0.000 0.888 320 K HN -0.019 nan 8.250 nan 0.000 0.502 321 F N 2.636 122.553 119.950 -0.054 0.000 2.664 321 F HA 0.195 4.730 4.527 0.013 0.000 0.296 321 F C 2.606 178.370 175.800 -0.060 0.000 1.125 321 F CA 0.195 58.127 58.000 -0.113 0.000 1.444 321 F CB 0.069 38.965 39.000 -0.173 0.000 1.114 321 F HN -0.022 nan 8.300 nan 0.000 0.576 322 R N 0.399 120.910 120.500 0.018 0.000 2.103 322 R HA -0.241 4.107 4.340 0.014 0.000 0.242 322 R C 1.778 177.920 176.300 -0.264 0.000 1.142 322 R CA 2.133 58.120 56.100 -0.188 0.000 0.960 322 R CB -0.904 29.128 30.300 -0.446 0.000 0.858 322 R HN 0.200 nan 8.270 nan 0.000 0.439 323 F N -0.302 119.604 119.950 -0.075 0.000 2.234 323 F HA -0.073 4.463 4.527 0.014 0.000 0.299 323 F C 1.871 177.703 175.800 0.053 0.000 1.087 323 F CA 1.218 59.212 58.000 -0.010 0.000 1.340 323 F CB -0.360 38.683 39.000 0.073 0.000 1.031 323 F HN 0.038 nan 8.300 nan 0.000 0.500 324 Y N -0.330 119.973 120.300 0.006 0.000 2.190 324 Y HA 0.092 4.650 4.550 0.013 0.000 0.290 324 Y C 0.898 176.736 175.900 -0.104 0.000 1.115 324 Y CA 0.121 58.192 58.100 -0.049 0.000 1.107 324 Y CB -0.006 38.419 38.460 -0.059 0.000 1.033 324 Y HN -0.236 nan 8.280 nan 0.000 0.502 325 L N -0.311 120.962 121.223 0.083 0.000 2.435 325 L HA 0.489 4.837 4.340 0.014 0.000 0.253 325 L C -0.017 176.763 176.870 -0.149 0.000 1.087 325 L CA -0.693 54.123 54.840 -0.040 0.000 0.950 325 L CB 0.889 42.959 42.059 0.017 0.000 1.304 325 L HN -0.064 nan 8.230 nan 0.000 0.453 326 S N 0.447 115.882 115.700 -0.442 0.000 4.183 326 S HA 0.060 4.538 4.470 0.014 0.000 0.195 326 S C 1.254 175.631 174.600 -0.371 0.000 1.421 326 S CA 0.174 57.857 58.200 -0.862 0.000 0.920 326 S CB 0.477 62.503 63.200 -1.957 0.000 1.525 326 S HN 0.801 nan 8.310 nan 0.000 0.447 327 S N 2.038 117.699 115.700 -0.066 0.000 2.482 327 S HA -0.136 4.342 4.470 0.014 0.000 0.226 327 S C 0.767 175.304 174.600 -0.106 0.000 1.048 327 S CA 0.945 59.085 58.200 -0.101 0.000 1.158 327 S CB -0.419 62.708 63.200 -0.122 0.000 1.130 327 S HN 0.879 nan 8.310 nan 0.000 0.413 328 H N 0.177 119.364 119.070 0.196 0.000 2.855 328 H HA 0.344 4.908 4.556 0.013 0.000 0.363 328 H C 0.966 176.499 175.328 0.341 0.000 1.185 328 H CA -0.317 55.859 56.048 0.213 0.000 1.174 328 H CB 1.537 31.365 29.762 0.109 0.000 1.857 328 H HN 0.359 nan 8.280 nan 0.000 0.565 329 K N 0.821 121.477 120.400 0.426 0.000 2.207 329 K HA -0.234 4.094 4.320 0.014 0.000 0.208 329 K C 0.971 177.680 176.600 0.181 0.000 1.046 329 K CA 1.489 57.929 56.287 0.255 0.000 0.929 329 K CB -0.089 32.518 32.500 0.178 0.000 0.720 329 K HN 0.268 nan 8.250 nan 0.000 0.463 330 K N 0.721 121.259 120.400 0.231 0.000 2.209 330 K HA 0.026 4.354 4.320 0.014 0.000 0.204 330 K C 2.280 179.017 176.600 0.228 0.000 1.048 330 K CA 1.348 57.745 56.287 0.184 0.000 0.940 330 K CB -0.444 32.168 32.500 0.186 0.000 0.729 330 K HN 0.400 nan 8.250 nan 0.000 0.451 331 A N 1.114 124.169 122.820 0.391 0.000 1.930 331 A HA -0.080 4.248 4.320 0.014 0.000 0.215 331 A C 2.097 179.707 177.584 0.044 0.000 1.176 331 A CA 0.790 53.108 52.037 0.468 0.000 0.632 331 A CB -0.369 19.238 19.000 1.012 0.000 0.819 331 A HN 0.208 nan 8.150 nan 0.000 0.445 332 L N 0.308 121.362 121.223 -0.283 0.000 2.141 332 L HA -0.089 4.259 4.340 0.014 0.000 0.209 332 L C 2.492 179.050 176.870 -0.520 0.000 1.094 332 L CA 2.878 57.121 54.840 -0.994 0.000 0.763 332 L CB -1.318 40.056 42.059 -1.141 0.000 0.908 332 L HN 0.463 nan 8.230 nan 0.000 0.437 333 T N -1.916 112.494 114.554 -0.239 0.000 2.833 333 T HA -0.159 4.200 4.350 0.014 0.000 0.269 333 T C 1.857 176.508 174.700 -0.082 0.000 1.054 333 T CA 1.361 63.393 62.100 -0.115 0.000 1.135 333 T CB -0.158 68.680 68.868 -0.049 0.000 0.869 333 T HN 0.337 nan 8.240 nan 0.000 0.466 334 K N 0.239 120.575 120.400 -0.107 0.000 2.166 334 K HA 0.155 4.483 4.320 0.014 0.000 0.201 334 K C 1.975 178.536 176.600 -0.066 0.000 1.052 334 K CA 0.739 56.980 56.287 -0.076 0.000 0.969 334 K CB -0.768 31.654 32.500 -0.131 0.000 0.761 334 K HN 0.631 nan 8.250 nan 0.000 0.459 335 F N 1.677 121.453 119.950 -0.290 0.000 2.186 335 F HA -0.107 4.428 4.527 0.014 0.000 0.299 335 F C 1.717 177.294 175.800 -0.371 0.000 1.090 335 F CA 0.499 58.314 58.000 -0.309 0.000 1.307 335 F CB 0.089 38.920 39.000 -0.283 0.000 1.019 335 F HN -0.164 nan 8.300 nan 0.000 0.489 336 L N 1.015 121.903 121.223 -0.559 0.000 2.191 336 L HA -0.198 4.150 4.340 0.014 0.000 0.212 336 L C 2.235 178.727 176.870 -0.631 0.000 1.103 336 L CA 1.545 55.934 54.840 -0.751 0.000 0.769 336 L CB -0.933 40.791 42.059 -0.557 0.000 0.908 336 L HN 0.275 nan 8.230 nan 0.000 0.438 337 K N -0.414 119.771 120.400 -0.358 0.000 2.211 337 K HA -0.145 4.183 4.320 0.014 0.000 0.203 337 K C 1.985 178.385 176.600 -0.332 0.000 1.050 337 K CA 1.557 57.704 56.287 -0.234 0.000 0.945 337 K CB 0.057 32.573 32.500 0.026 0.000 0.732 337 K HN 0.539 nan 8.250 nan 0.000 0.451 338 C N -1.322 117.719 119.300 -0.432 0.000 2.735 338 C HA 0.287 4.755 4.460 0.014 0.000 0.271 338 C C 2.044 176.483 174.990 -0.918 0.000 1.281 338 C CA -0.598 58.083 59.018 -0.561 0.000 1.719 338 C CB -0.565 26.965 27.740 -0.350 0.000 2.024 338 C HN 0.135 nan 8.230 nan 0.000 0.566 339 I N 1.833 121.906 120.570 -0.828 0.000 2.681 339 I HA 0.050 4.228 4.170 0.014 0.000 0.247 339 I C 2.374 178.047 176.117 -0.739 0.000 1.091 339 I CA 1.018 61.877 61.300 -0.735 0.000 1.442 339 I CB -0.650 37.044 38.000 -0.511 0.000 1.219 339 I HN 0.210 nan 8.210 nan 0.000 0.451 340 N N 0.453 118.762 118.700 -0.652 0.000 2.037 340 N HA -0.268 4.480 4.740 0.014 0.000 0.196 340 N C 1.884 177.243 175.510 -0.252 0.000 1.034 340 N CA 2.439 55.228 53.050 -0.436 0.000 0.861 340 N CB -0.481 37.779 38.487 -0.378 0.000 1.039 340 N HN 0.565 nan 8.380 nan 0.000 0.427 341 W N 1.886 123.098 121.300 -0.145 0.000 2.363 341 W HA 0.058 4.726 4.660 0.013 0.000 0.296 341 W C 1.882 178.371 176.519 -0.050 0.000 1.212 341 W CA 0.699 57.996 57.345 -0.079 0.000 1.260 341 W CB -0.574 28.845 29.460 -0.069 0.000 1.131 341 W HN -0.189 nan 8.180 nan 0.000 0.530 342 K N 0.683 120.999 120.400 -0.140 0.000 2.044 342 K HA 0.171 4.499 4.320 0.014 0.000 0.204 342 K C 0.584 177.202 176.600 0.031 0.000 1.049 342 K CA 0.580 56.904 56.287 0.062 0.000 0.945 342 K CB -0.668 31.816 32.500 -0.026 0.000 0.724 342 K HN 0.244 nan 8.250 nan 0.000 0.440 343 L N 0.957 122.155 121.223 -0.042 0.000 2.334 343 L HA 0.152 4.500 4.340 0.014 0.000 0.276 343 L C 0.924 177.785 176.870 -0.014 0.000 1.014 343 L CA -0.184 54.656 54.840 -0.000 0.000 0.815 343 L CB 1.723 43.794 42.059 0.020 0.000 1.268 343 L HN 0.140 nan 8.230 nan 0.000 0.428 344 E N 0.886 121.094 120.200 0.013 0.000 2.204 344 E HA -0.219 4.140 4.350 0.014 0.000 0.194 344 E C 0.861 177.463 176.600 0.004 0.000 0.989 344 E CA 1.292 57.700 56.400 0.014 0.000 0.824 344 E CB 0.281 29.998 29.700 0.029 0.000 0.756 344 E HN 0.659 nan 8.360 nan 0.000 0.477 345 D N 0.413 120.820 120.400 0.011 0.000 2.277 345 D HA -0.118 4.531 4.640 0.014 0.000 0.209 345 D C 1.517 177.831 176.300 0.024 0.000 0.970 345 D CA 0.449 54.462 54.000 0.021 0.000 0.874 345 D CB 0.286 41.106 40.800 0.034 0.000 0.982 345 D HN -0.041 nan 8.370 nan 0.000 0.504 346 E N 0.815 121.024 120.200 0.015 0.000 2.130 346 E HA -0.125 4.233 4.350 0.014 0.000 0.196 346 E C 2.426 179.004 176.600 -0.036 0.000 0.998 346 E CA 0.541 56.951 56.400 0.016 0.000 0.806 346 E CB -0.210 29.453 29.700 -0.062 0.000 0.738 346 E HN 0.279 nan 8.360 nan 0.000 0.459 347 V N 1.351 121.206 119.914 -0.098 0.000 2.392 347 V HA -0.273 3.855 4.120 0.014 0.000 0.249 347 V C 2.729 178.776 176.094 -0.078 0.000 1.059 347 V CA 2.233 64.425 62.300 -0.180 0.000 1.051 347 V CB -1.378 30.309 31.823 -0.226 0.000 0.658 347 V HN 0.443 nan 8.190 nan 0.000 0.455 348 T N -1.422 113.129 114.554 -0.005 0.000 2.951 348 T HA -0.196 4.163 4.350 0.014 0.000 0.268 348 T C 1.700 176.462 174.700 0.103 0.000 1.073 348 T CA 1.415 63.539 62.100 0.040 0.000 1.134 348 T CB -0.220 68.665 68.868 0.029 0.000 0.884 348 T HN 0.625 nan 8.240 nan 0.000 0.479 349 Q N 0.545 120.425 119.800 0.133 0.000 2.250 349 Q HA 0.363 4.711 4.340 0.014 0.000 0.200 349 Q C 2.654 178.840 176.000 0.309 0.000 0.941 349 Q CA 0.899 56.849 55.803 0.245 0.000 0.872 349 Q CB -0.143 28.759 28.738 0.272 0.000 0.965 349 Q HN 0.679 nan 8.270 nan 0.000 0.480 350 A N 0.762 123.699 122.820 0.195 0.000 1.975 350 A HA -0.051 4.277 4.320 0.014 0.000 0.215 350 A C 1.942 179.563 177.584 0.061 0.000 1.170 350 A CA 0.621 52.778 52.037 0.199 0.000 0.656 350 A CB -0.139 18.824 19.000 -0.061 0.000 0.821 350 A HN 0.168 nan 8.150 nan 0.000 0.449 351 L N -2.293 118.956 121.223 0.043 0.000 2.141 351 L HA -0.059 4.289 4.340 0.014 0.000 0.209 351 L C 2.050 178.999 176.870 0.131 0.000 1.094 351 L CA 1.124 55.975 54.840 0.018 0.000 0.763 351 L CB -0.962 41.121 42.059 0.040 0.000 0.908 351 L HN 0.750 nan 8.230 nan 0.000 0.437 352 W N -0.952 120.371 121.300 0.039 0.000 2.436 352 W HA -0.144 4.524 4.660 0.013 0.000 0.284 352 W C 2.300 178.881 176.519 0.104 0.000 1.225 352 W CA 0.897 58.284 57.345 0.070 0.000 1.271 352 W CB -0.005 29.508 29.460 0.087 0.000 1.114 352 W HN 0.023 nan 8.180 nan 0.000 0.559 353 M N 0.161 119.881 119.600 0.201 0.000 2.175 353 M HA -0.118 4.370 4.480 0.014 0.000 0.264 353 M C 2.259 178.680 176.300 0.201 0.000 1.063 353 M CA 1.386 56.789 55.300 0.170 0.000 1.119 353 M CB -1.689 31.198 32.600 0.479 0.000 1.377 353 M HN 0.283 nan 8.290 nan 0.000 0.415 354 L N 0.013 121.279 121.223 0.072 0.000 2.109 354 L HA -0.043 4.305 4.340 0.014 0.000 0.207 354 L C 2.319 179.103 176.870 -0.143 0.000 1.086 354 L CA 1.366 56.123 54.840 -0.138 0.000 0.760 354 L CB -0.413 41.397 42.059 -0.414 0.000 0.910 354 L HN 0.185 nan 8.230 nan 0.000 0.437 355 A N -0.027 122.737 122.820 -0.095 0.000 2.014 355 A HA -0.144 4.184 4.320 0.014 0.000 0.218 355 A C 1.785 179.342 177.584 -0.046 0.000 1.163 355 A CA 1.830 53.841 52.037 -0.044 0.000 0.652 355 A CB -0.582 18.408 19.000 -0.016 0.000 0.808 355 A HN 0.605 nan 8.150 nan 0.000 0.449 356 N N -1.971 116.654 118.700 -0.125 0.000 2.432 356 N HA 0.029 4.777 4.740 0.014 0.000 0.174 356 N C 0.371 175.855 175.510 -0.042 0.000 1.037 356 N CA -0.213 52.734 53.050 -0.172 0.000 0.892 356 N CB -0.099 38.138 38.487 -0.416 0.000 1.049 356 N HN 0.609 nan 8.380 nan 0.000 0.442 357 W N 2.713 123.926 121.300 -0.145 0.000 2.364 357 W HA 0.089 4.757 4.660 0.014 0.000 0.343 357 W C 0.335 176.836 176.519 -0.031 0.000 1.237 357 W CA -0.589 56.708 57.345 -0.080 0.000 1.319 357 W CB 0.006 29.421 29.460 -0.075 0.000 1.179 357 W HN -0.005 nan 8.180 nan 0.000 0.578 358 A N 7.418 130.441 122.820 0.338 0.000 2.567 358 A HA 0.171 4.499 4.320 0.014 0.000 0.240 358 A C -2.108 175.704 177.584 0.381 0.000 1.053 358 A CA -0.752 51.463 52.037 0.297 0.000 0.755 358 A CB -0.708 18.412 19.000 0.200 0.000 0.978 358 A HN 0.262 nan 8.150 nan 0.000 0.507 359 P HA 0.216 nan 4.420 nan 0.000 0.276 359 P C -0.033 177.383 177.300 0.194 0.000 1.230 359 P CA -0.318 62.926 63.100 0.239 0.000 0.776 359 P CB 0.554 32.344 31.700 0.151 0.000 0.888 360 M N 2.388 122.108 119.600 0.200 0.000 2.248 360 M HA 0.057 4.545 4.480 0.014 0.000 0.337 360 M C 0.266 176.587 176.300 0.036 0.000 1.121 360 M CA 0.411 55.777 55.300 0.110 0.000 1.155 360 M CB 0.187 32.871 32.600 0.141 0.000 1.514 360 M HN 0.309 nan 8.290 nan 0.000 0.452 361 D N 2.654 123.069 120.400 0.025 0.000 2.345 361 D HA 0.065 4.713 4.640 0.014 0.000 0.247 361 D C 1.164 177.432 176.300 -0.053 0.000 1.108 361 D CA -0.088 53.910 54.000 -0.003 0.000 0.894 361 D CB 1.482 42.289 40.800 0.012 0.000 1.203 361 D HN 0.454 nan 8.370 nan 0.000 0.430 362 V N 3.103 122.978 119.914 -0.066 0.000 2.363 362 V HA -0.307 3.821 4.120 0.014 0.000 0.254 362 V C 2.263 178.228 176.094 -0.214 0.000 1.074 362 V CA 1.929 64.153 62.300 -0.126 0.000 1.069 362 V CB -0.568 31.213 31.823 -0.071 0.000 0.659 362 V HN 0.623 nan 8.190 nan 0.000 0.455 363 E N -0.153 119.943 120.200 -0.174 0.000 2.152 363 E HA -0.195 4.163 4.350 0.014 0.000 0.192 363 E C 1.619 178.120 176.600 -0.165 0.000 0.983 363 E CA 1.287 57.555 56.400 -0.221 0.000 0.818 363 E CB -0.520 29.129 29.700 -0.084 0.000 0.758 363 E HN 0.548 nan 8.360 nan 0.000 0.467 364 D N 1.348 121.684 120.400 -0.107 0.000 2.194 364 D HA 0.077 4.725 4.640 0.014 0.000 0.204 364 D C 1.849 178.081 176.300 -0.113 0.000 0.964 364 D CA 1.517 55.466 54.000 -0.086 0.000 0.846 364 D CB -0.136 40.638 40.800 -0.043 0.000 0.962 364 D HN 0.265 nan 8.370 nan 0.000 0.490 365 A N 0.113 122.856 122.820 -0.128 0.000 2.015 365 A HA -0.097 4.231 4.320 0.014 0.000 0.219 365 A C 2.087 179.568 177.584 -0.172 0.000 1.163 365 A CA 0.727 52.683 52.037 -0.135 0.000 0.646 365 A CB -0.558 18.340 19.000 -0.170 0.000 0.806 365 A HN 0.188 nan 8.150 nan 0.000 0.448 366 L N -0.386 120.709 121.223 -0.214 0.000 2.083 366 L HA -0.199 4.149 4.340 0.014 0.000 0.209 366 L C 2.458 179.208 176.870 -0.199 0.000 1.083 366 L CA 1.975 56.682 54.840 -0.221 0.000 0.752 366 L CB -0.368 41.533 42.059 -0.263 0.000 0.899 366 L HN 0.571 nan 8.230 nan 0.000 0.433 367 E N 0.010 120.076 120.200 -0.223 0.000 2.153 367 E HA -0.213 4.145 4.350 0.014 0.000 0.194 367 E C 2.185 178.513 176.600 -0.454 0.000 0.988 367 E CA 0.867 57.080 56.400 -0.311 0.000 0.811 367 E CB -0.001 29.515 29.700 -0.307 0.000 0.746 367 E HN 0.491 nan 8.360 nan 0.000 0.466 368 L N 0.365 121.390 121.223 -0.329 0.000 2.201 368 L HA -0.141 4.207 4.340 0.014 0.000 0.212 368 L C 2.197 178.968 176.870 -0.165 0.000 1.105 368 L CA 0.655 55.348 54.840 -0.245 0.000 0.775 368 L CB -0.275 41.783 42.059 -0.002 0.000 0.913 368 L HN 0.251 nan 8.230 nan 0.000 0.440 369 L N -0.713 120.419 121.223 -0.151 0.000 2.558 369 L HA 0.029 4.377 4.340 0.014 0.000 0.225 369 L C 1.654 178.490 176.870 -0.057 0.000 1.128 369 L CA -0.205 54.595 54.840 -0.067 0.000 0.868 369 L CB -0.150 41.880 42.059 -0.050 0.000 1.006 369 L HN 0.167 nan 8.230 nan 0.000 0.454 370 S N 1.003 116.583 115.700 -0.201 0.000 2.563 370 S HA 0.011 4.489 4.470 0.014 0.000 0.269 370 S C -1.366 172.982 174.600 -0.420 0.000 1.364 370 S CA -0.735 57.272 58.200 -0.322 0.000 1.010 370 S CB 0.474 63.438 63.200 -0.394 0.000 0.877 370 S HN -0.000 nan 8.310 nan 0.000 0.549 371 P HA 0.070 nan 4.420 nan 0.000 0.241 371 P C 1.354 178.521 177.300 -0.222 0.000 1.191 371 P CA 0.917 63.645 63.100 -0.620 0.000 0.771 371 P CB -0.483 30.670 31.700 -0.912 0.000 0.929 372 T N -3.951 110.515 114.554 -0.146 0.000 2.904 372 T HA -0.013 4.345 4.350 0.014 0.000 0.267 372 T C 0.619 175.556 174.700 0.394 0.000 1.059 372 T CA 0.409 62.561 62.100 0.087 0.000 1.137 372 T CB -0.978 67.969 68.868 0.131 0.000 0.879 372 T HN 0.026 nan 8.240 nan 0.000 0.467 373 F N 2.345 122.262 119.950 -0.055 0.000 2.350 373 F HA 0.321 4.856 4.527 0.014 0.000 0.365 373 F C 1.361 177.160 175.800 -0.002 0.000 1.122 373 F CA -1.277 56.715 58.000 -0.013 0.000 1.139 373 F CB 1.345 40.325 39.000 -0.034 0.000 1.220 373 F HN 0.049 nan 8.300 nan 0.000 0.499 374 T N 0.039 114.705 114.554 0.187 0.000 2.937 374 T HA -0.159 4.200 4.350 0.014 0.000 0.260 374 T C 0.558 175.323 174.700 0.108 0.000 1.051 374 T CA 0.561 62.733 62.100 0.120 0.000 1.141 374 T CB -0.357 68.571 68.868 0.101 0.000 0.879 374 T HN 0.420 nan 8.240 nan 0.000 0.459 375 H N 3.463 122.552 119.070 0.033 0.000 3.191 375 H HA 0.110 4.675 4.556 0.014 0.000 0.261 375 H C -1.805 173.535 175.328 0.020 0.000 1.013 375 H CA -1.716 54.336 56.048 0.008 0.000 1.457 375 H CB 0.658 30.392 29.762 -0.047 0.000 1.535 375 H HN -0.053 nan 8.280 nan 0.000 0.518 376 P HA -0.281 nan 4.420 nan 0.000 0.219 376 P C 1.247 178.476 177.300 -0.117 0.000 1.149 376 P CA 1.401 64.388 63.100 -0.189 0.000 0.835 376 P CB 0.293 31.885 31.700 -0.180 0.000 0.778 377 Q N -0.383 119.339 119.800 -0.131 0.000 2.212 377 Q HA -0.069 4.279 4.340 0.014 0.000 0.199 377 Q C 1.873 177.956 176.000 0.139 0.000 0.950 377 Q CA 1.130 56.992 55.803 0.098 0.000 0.863 377 Q CB -1.152 27.746 28.738 0.267 0.000 0.944 377 Q HN 0.211 nan 8.270 nan 0.000 0.465 378 V N -0.819 119.197 119.914 0.170 0.000 2.535 378 V HA -0.016 4.112 4.120 0.014 0.000 0.246 378 V C 2.005 178.179 176.094 0.133 0.000 1.045 378 V CA 1.246 63.612 62.300 0.110 0.000 1.058 378 V CB -0.347 31.505 31.823 0.048 0.000 0.689 378 V HN 0.255 nan 8.190 nan 0.000 0.461 379 R N 0.927 121.479 120.500 0.087 0.000 2.081 379 R HA -0.172 4.176 4.340 0.014 0.000 0.235 379 R C 2.460 178.756 176.300 -0.007 0.000 1.131 379 R CA 1.966 58.084 56.100 0.029 0.000 0.960 379 R CB -0.520 29.772 30.300 -0.014 0.000 0.856 379 R HN 0.724 nan 8.270 nan 0.000 0.436 380 K N 0.193 120.601 120.400 0.013 0.000 2.103 380 K HA -0.231 4.097 4.320 0.014 0.000 0.207 380 K C 2.007 178.606 176.600 -0.002 0.000 1.048 380 K CA 1.515 57.800 56.287 -0.004 0.000 0.930 380 K CB -0.351 32.167 32.500 0.032 0.000 0.716 380 K HN 0.165 nan 8.250 nan 0.000 0.444 381 Y N 0.730 120.993 120.300 -0.060 0.000 2.263 381 Y HA -0.017 4.542 4.550 0.014 0.000 0.292 381 Y C 2.080 177.919 175.900 -0.100 0.000 1.130 381 Y CA 1.273 59.333 58.100 -0.066 0.000 1.179 381 Y CB -0.373 38.053 38.460 -0.057 0.000 0.998 381 Y HN 0.176 nan 8.280 nan 0.000 0.532 382 A N -0.543 122.214 122.820 -0.104 0.000 1.930 382 A HA -0.107 4.221 4.320 0.014 0.000 0.217 382 A C 2.246 179.631 177.584 -0.332 0.000 1.175 382 A CA 1.820 53.728 52.037 -0.214 0.000 0.627 382 A CB -1.204 17.735 19.000 -0.103 0.000 0.815 382 A HN 0.331 nan 8.150 nan 0.000 0.443 383 V N 0.946 120.665 119.914 -0.325 0.000 2.515 383 V HA -0.204 3.924 4.120 0.014 0.000 0.250 383 V C 2.938 178.711 176.094 -0.534 0.000 1.058 383 V CA 2.163 64.161 62.300 -0.503 0.000 1.064 383 V CB -0.758 30.803 31.823 -0.436 0.000 0.675 383 V HN 0.814 nan 8.190 nan 0.000 0.461 384 S N 0.253 115.722 115.700 -0.385 0.000 2.402 384 S HA -0.166 4.312 4.470 0.014 0.000 0.229 384 S C 2.090 176.495 174.600 -0.326 0.000 1.021 384 S CA 0.667 58.682 58.200 -0.308 0.000 0.974 384 S CB -0.293 62.761 63.200 -0.244 0.000 0.800 384 S HN 0.417 nan 8.310 nan 0.000 0.484 385 R N 1.382 121.627 120.500 -0.425 0.000 2.073 385 R HA 0.264 4.613 4.340 0.014 0.000 0.229 385 R C 2.341 178.508 176.300 -0.221 0.000 1.120 385 R CA 0.848 56.746 56.100 -0.337 0.000 0.967 385 R CB -1.458 28.614 30.300 -0.381 0.000 0.862 385 R HN 0.443 nan 8.270 nan 0.000 0.436 386 L N 0.201 121.260 121.223 -0.272 0.000 2.046 386 L HA -0.097 4.251 4.340 0.014 0.000 0.208 386 L C 2.388 179.240 176.870 -0.030 0.000 1.077 386 L CA 1.426 56.163 54.840 -0.172 0.000 0.747 386 L CB -0.668 41.194 42.059 -0.329 0.000 0.896 386 L HN 0.152 nan 8.230 nan 0.000 0.432 387 A N -0.839 121.918 122.820 -0.105 0.000 1.972 387 A HA -0.259 4.069 4.320 0.014 0.000 0.219 387 A C 2.241 179.878 177.584 0.088 0.000 1.169 387 A CA 1.539 53.664 52.037 0.147 0.000 0.635 387 A CB -0.453 18.598 19.000 0.086 0.000 0.810 387 A HN 0.483 nan 8.150 nan 0.000 0.446 388 Q N -0.362 119.441 119.800 0.006 0.000 2.172 388 Q HA 0.108 4.456 4.340 0.014 0.000 0.200 388 Q C 1.058 177.075 176.000 0.029 0.000 0.964 388 Q CA 0.545 56.353 55.803 0.008 0.000 0.855 388 Q CB -0.245 28.478 28.738 -0.025 0.000 0.918 388 Q HN 0.612 nan 8.270 nan 0.000 0.444 389 A N 3.047 125.888 122.820 0.036 0.000 2.498 389 A HA 0.227 4.555 4.320 0.014 0.000 0.239 389 A C -2.144 175.480 177.584 0.065 0.000 1.068 389 A CA -1.032 51.038 52.037 0.055 0.000 0.766 389 A CB -0.186 18.860 19.000 0.076 0.000 1.003 389 A HN 0.241 nan 8.150 nan 0.000 0.497 390 P HA 0.138 nan 4.420 nan 0.000 0.272 390 P C -0.384 176.938 177.300 0.038 0.000 1.223 390 P CA -0.173 62.951 63.100 0.041 0.000 0.784 390 P CB 0.598 32.315 31.700 0.029 0.000 0.923 391 D N 0.530 120.946 120.400 0.027 0.000 2.133 391 D HA -0.195 4.454 4.640 0.014 0.000 0.195 391 D C 1.768 178.066 176.300 -0.003 0.000 0.997 391 D CA 1.389 55.398 54.000 0.016 0.000 0.840 391 D CB -0.226 40.584 40.800 0.017 0.000 0.947 391 D HN 0.461 nan 8.370 nan 0.000 0.452 392 E N 0.366 120.559 120.200 -0.012 0.000 2.130 392 E HA -0.180 4.178 4.350 0.014 0.000 0.196 392 E C 1.440 177.985 176.600 -0.093 0.000 0.998 392 E CA 1.081 57.454 56.400 -0.045 0.000 0.806 392 E CB -0.124 29.554 29.700 -0.038 0.000 0.738 392 E HN 0.332 nan 8.360 nan 0.000 0.459 393 D N -0.242 120.122 120.400 -0.059 0.000 2.149 393 D HA -0.080 4.569 4.640 0.014 0.000 0.201 393 D C 1.888 178.138 176.300 -0.084 0.000 0.972 393 D CA 0.265 54.212 54.000 -0.087 0.000 0.835 393 D CB -0.106 40.744 40.800 0.083 0.000 0.966 393 D HN 0.043 nan 8.370 nan 0.000 0.476 394 L N 0.323 121.561 121.223 0.024 0.000 2.131 394 L HA -0.049 4.299 4.340 0.014 0.000 0.210 394 L C 2.150 178.995 176.870 -0.041 0.000 1.092 394 L CA 0.983 55.865 54.840 0.070 0.000 0.759 394 L CB -0.293 41.795 42.059 0.049 0.000 0.903 394 L HN 0.108 nan 8.230 nan 0.000 0.435 395 L N -1.707 119.448 121.223 -0.113 0.000 2.093 395 L HA -0.205 4.143 4.340 0.014 0.000 0.208 395 L C 2.361 179.074 176.870 -0.262 0.000 1.085 395 L CA 0.974 55.716 54.840 -0.163 0.000 0.755 395 L CB -0.057 41.911 42.059 -0.152 0.000 0.904 395 L HN 0.223 nan 8.230 nan 0.000 0.435 396 L N -1.312 119.683 121.223 -0.380 0.000 2.042 396 L HA -0.278 4.070 4.340 0.014 0.000 0.210 396 L C 2.196 178.819 176.870 -0.411 0.000 1.076 396 L CA 1.606 56.156 54.840 -0.484 0.000 0.749 396 L CB -0.455 41.142 42.059 -0.771 0.000 0.893 396 L HN 0.257 nan 8.230 nan 0.000 0.432 397 Y N -2.081 118.148 120.300 -0.119 0.000 2.519 397 Y HA -0.093 4.465 4.550 0.013 0.000 0.287 397 Y C 2.070 177.869 175.900 -0.169 0.000 1.128 397 Y CA -0.194 57.833 58.100 -0.122 0.000 1.282 397 Y CB -0.399 38.010 38.460 -0.085 0.000 1.027 397 Y HN 0.056 nan 8.280 nan 0.000 0.551 398 L N 0.452 121.613 121.223 -0.104 0.000 2.064 398 L HA -0.287 4.062 4.340 0.014 0.000 0.216 398 L C 2.125 178.783 176.870 -0.353 0.000 1.077 398 L CA 1.912 56.626 54.840 -0.210 0.000 0.766 398 L CB -0.978 40.930 42.059 -0.251 0.000 0.890 398 L HN 0.381 nan 8.230 nan 0.000 0.435 399 L N -0.223 120.733 121.223 -0.445 0.000 2.042 399 L HA -0.262 4.086 4.340 0.014 0.000 0.210 399 L C 2.574 179.314 176.870 -0.216 0.000 1.076 399 L CA 1.642 56.206 54.840 -0.459 0.000 0.749 399 L CB -0.311 41.593 42.059 -0.258 0.000 0.893 399 L HN 0.288 nan 8.230 nan 0.000 0.432 400 Q N -0.837 118.887 119.800 -0.127 0.000 2.123 400 Q HA -0.060 4.288 4.340 0.014 0.000 0.199 400 Q C 2.125 178.098 176.000 -0.045 0.000 0.966 400 Q CA 1.463 57.227 55.803 -0.064 0.000 0.845 400 Q CB -0.247 28.480 28.738 -0.018 0.000 0.907 400 Q HN 0.513 nan 8.270 nan 0.000 0.439 401 L N -1.033 120.159 121.223 -0.052 0.000 2.217 401 L HA -0.071 4.277 4.340 0.014 0.000 0.211 401 L C 1.961 178.825 176.870 -0.010 0.000 1.107 401 L CA 0.454 55.278 54.840 -0.027 0.000 0.783 401 L CB -0.275 41.770 42.059 -0.025 0.000 0.919 401 L HN 0.071 nan 8.230 nan 0.000 0.442 402 V N -0.694 119.201 119.914 -0.030 0.000 2.453 402 V HA -0.191 3.937 4.120 0.014 0.000 0.247 402 V C 2.517 178.682 176.094 0.119 0.000 1.048 402 V CA 1.253 63.597 62.300 0.074 0.000 1.049 402 V CB -0.260 31.580 31.823 0.028 0.000 0.672 402 V HN 0.417 nan 8.190 nan 0.000 0.457 403 Q N -0.085 119.725 119.800 0.017 0.000 2.119 403 Q HA -0.071 4.277 4.340 0.014 0.000 0.201 403 Q C 2.380 178.312 176.000 -0.112 0.000 0.972 403 Q CA 1.726 57.522 55.803 -0.012 0.000 0.847 403 Q CB -0.607 28.105 28.738 -0.042 0.000 0.903 403 Q HN 0.637 nan 8.270 nan 0.000 0.433 404 A N 0.563 123.346 122.820 -0.062 0.000 2.019 404 A HA -0.108 4.221 4.320 0.014 0.000 0.219 404 A C 2.164 179.671 177.584 -0.128 0.000 1.164 404 A CA 0.658 52.665 52.037 -0.050 0.000 0.644 404 A CB -0.636 18.384 19.000 0.035 0.000 0.805 404 A HN 0.344 nan 8.150 nan 0.000 0.449 405 L N -0.669 120.500 121.223 -0.090 0.000 2.137 405 L HA -0.284 4.064 4.340 0.014 0.000 0.213 405 L C 2.491 179.214 176.870 -0.245 0.000 1.085 405 L CA 1.866 56.628 54.840 -0.129 0.000 0.760 405 L CB -0.397 41.596 42.059 -0.111 0.000 0.893 405 L HN 0.466 nan 8.230 nan 0.000 0.434 406 K N -1.091 119.088 120.400 -0.368 0.000 2.057 406 K HA -0.183 4.145 4.320 0.014 0.000 0.206 406 K C 2.035 178.503 176.600 -0.220 0.000 1.050 406 K CA 1.358 57.420 56.287 -0.374 0.000 0.935 406 K CB -0.248 31.966 32.500 -0.476 0.000 0.715 406 K HN 0.172 nan 8.250 nan 0.000 0.439 407 Y N 1.594 121.866 120.300 -0.046 0.000 2.163 407 Y HA -0.061 4.497 4.550 0.014 0.000 0.288 407 Y C 1.228 177.092 175.900 -0.060 0.000 1.136 407 Y CA 0.219 58.294 58.100 -0.042 0.000 1.147 407 Y CB -0.778 37.658 38.460 -0.039 0.000 0.987 407 Y HN 0.123 nan 8.280 nan 0.000 0.509 408 E N 2.315 122.549 120.200 0.056 0.000 2.481 408 E HA -0.138 4.220 4.350 0.014 0.000 0.263 408 E C -0.130 176.424 176.600 -0.078 0.000 0.992 408 E CA -0.150 56.204 56.400 -0.077 0.000 0.938 408 E CB 0.312 29.934 29.700 -0.129 0.000 0.933 408 E HN 0.231 nan 8.360 nan 0.000 0.453 409 D N 4.934 125.266 120.400 -0.114 0.000 2.424 409 D HA 0.010 4.658 4.640 0.014 0.000 0.244 409 D C -1.744 174.674 176.300 0.196 0.000 1.134 409 D CA -1.546 52.510 54.000 0.093 0.000 0.881 409 D CB 1.229 42.181 40.800 0.253 0.000 1.191 409 D HN 0.232 nan 8.370 nan 0.000 0.445 410 P HA -0.140 nan 4.420 nan 0.000 0.216 410 P C 1.239 178.601 177.300 0.102 0.000 1.150 410 P CA 1.152 64.296 63.100 0.073 0.000 0.843 410 P CB 0.164 31.882 31.700 0.029 0.000 0.787 411 R N -0.736 119.827 120.500 0.104 0.000 2.152 411 R HA -0.150 4.198 4.340 0.014 0.000 0.232 411 R C 1.993 178.286 176.300 -0.012 0.000 1.117 411 R CA 1.560 57.665 56.100 0.008 0.000 0.981 411 R CB -1.386 28.869 30.300 -0.076 0.000 0.870 411 R HN 0.318 nan 8.270 nan 0.000 0.451 412 H N -0.978 118.108 119.070 0.027 0.000 2.422 412 H HA -0.041 4.523 4.556 0.013 0.000 0.298 412 H C 1.637 177.011 175.328 0.077 0.000 1.098 412 H CA 1.824 57.897 56.048 0.041 0.000 1.315 412 H CB -0.093 29.681 29.762 0.019 0.000 1.382 412 H HN 0.222 nan 8.280 nan 0.000 0.523 413 I N -0.172 120.506 120.570 0.180 0.000 2.585 413 I HA -0.121 4.057 4.170 0.014 0.000 0.254 413 I C 1.971 178.158 176.117 0.117 0.000 1.129 413 I CA 0.457 61.830 61.300 0.122 0.000 1.455 413 I CB 0.115 38.146 38.000 0.052 0.000 1.111 413 I HN 0.162 nan 8.210 nan 0.000 0.433 414 V N -1.941 118.027 119.914 0.091 0.000 2.591 414 V HA -0.190 3.938 4.120 0.014 0.000 0.249 414 V C 2.460 178.620 176.094 0.110 0.000 1.053 414 V CA 1.520 63.852 62.300 0.054 0.000 1.068 414 V CB -1.172 30.647 31.823 -0.006 0.000 0.689 414 V HN 0.463 nan 8.190 nan 0.000 0.462 415 H N 0.375 119.470 119.070 0.041 0.000 2.423 415 H HA -0.031 4.534 4.556 0.014 0.000 0.297 415 H C 2.142 177.517 175.328 0.079 0.000 1.075 415 H CA 2.160 58.232 56.048 0.040 0.000 1.342 415 H CB 0.311 30.073 29.762 0.001 0.000 1.395 415 H HN 0.491 nan 8.280 nan 0.000 0.530 416 L N 0.052 121.389 121.223 0.190 0.000 2.131 416 L HA -0.124 4.224 4.340 0.014 0.000 0.206 416 L C 2.857 179.805 176.870 0.131 0.000 1.087 416 L CA 1.030 55.967 54.840 0.161 0.000 0.767 416 L CB -0.515 41.652 42.059 0.180 0.000 0.917 416 L HN 0.304 nan 8.230 nan 0.000 0.441 417 H N -0.180 118.909 119.070 0.031 0.000 2.387 417 H HA -0.130 4.435 4.556 0.014 0.000 0.299 417 H C 1.804 177.154 175.328 0.036 0.000 1.090 417 H CA 1.698 57.740 56.048 -0.010 0.000 1.332 417 H CB 0.008 29.703 29.762 -0.111 0.000 1.386 417 H HN 0.448 nan 8.280 nan 0.000 0.516 418 G N -0.245 108.670 108.800 0.191 0.000 2.403 418 G HA2 -0.241 3.727 3.960 0.014 0.000 0.216 418 G HA3 -0.241 3.727 3.960 0.014 0.000 0.216 418 G C 2.179 177.101 174.900 0.037 0.000 1.154 418 G CA 0.701 45.869 45.100 0.113 0.000 0.784 418 G HN 0.579 nan 8.290 nan 0.000 0.538 419 C N 0.008 119.300 119.300 -0.014 0.000 2.435 419 C HA 0.195 4.663 4.460 0.014 0.000 0.279 419 C C 2.735 177.738 174.990 0.023 0.000 1.321 419 C CA 0.725 59.730 59.018 -0.021 0.000 1.752 419 C CB -0.865 26.866 27.740 -0.015 0.000 1.959 419 C HN 0.428 nan 8.230 nan 0.000 0.500 420 I N -1.228 119.385 120.570 0.071 0.000 2.556 420 I HA 0.114 4.292 4.170 0.014 0.000 0.251 420 I C 2.077 178.200 176.117 0.009 0.000 1.105 420 I CA 0.943 62.277 61.300 0.057 0.000 1.436 420 I CB -0.463 37.621 38.000 0.141 0.000 1.139 420 I HN 0.169 nan 8.210 nan 0.000 0.438 421 F N 1.273 121.123 119.950 -0.167 0.000 2.092 421 F HA 0.115 4.650 4.527 0.014 0.000 0.286 421 F C -0.490 175.280 175.800 -0.049 0.000 1.116 421 F CA 0.351 58.262 58.000 -0.148 0.000 1.185 421 F CB -2.075 36.753 39.000 -0.287 0.000 1.034 421 F HN 0.022 nan 8.300 nan 0.000 0.479 532 N N 3.234 121.983 118.700 0.081 0.000 2.520 532 N HA 0.144 4.893 4.740 0.014 0.000 0.273 532 N C 1.171 176.721 175.510 0.066 0.000 1.155 532 N CA 0.074 53.168 53.050 0.073 0.000 0.967 532 N CB 1.208 39.797 38.487 0.169 0.000 1.092 532 N HN 1.121 nan 8.380 nan 0.000 0.457 533 L N 3.780 125.001 121.223 -0.003 0.000 2.064 533 L HA -0.289 4.059 4.340 0.014 0.000 0.216 533 L C 2.541 179.521 176.870 0.185 0.000 1.077 533 L CA 2.385 57.247 54.840 0.036 0.000 0.766 533 L CB -0.594 41.447 42.059 -0.030 0.000 0.890 533 L HN 0.822 nan 8.230 nan 0.000 0.435 534 C N -0.957 118.416 119.300 0.122 0.000 2.464 534 C HA 0.005 4.473 4.460 0.014 0.000 0.278 534 C C 2.952 178.037 174.990 0.158 0.000 1.375 534 C CA 0.661 59.759 59.018 0.132 0.000 1.761 534 C CB -1.588 26.214 27.740 0.103 0.000 1.944 534 C HN 0.758 nan 8.230 nan 0.000 0.509 535 T N -1.160 113.497 114.554 0.171 0.000 2.821 535 T HA -0.157 4.201 4.350 0.014 0.000 0.267 535 T C 1.574 176.368 174.700 0.157 0.000 1.046 535 T CA 1.583 63.783 62.100 0.166 0.000 1.139 535 T CB -0.912 68.052 68.868 0.161 0.000 0.871 535 T HN 0.693 nan 8.240 nan 0.000 0.454 536 F N 1.855 121.817 119.950 0.020 0.000 2.146 536 F HA 0.211 4.747 4.527 0.015 0.000 0.298 536 F C 1.891 177.655 175.800 -0.059 0.000 1.096 536 F CA 0.821 58.813 58.000 -0.012 0.000 1.275 536 F CB -0.359 38.622 39.000 -0.032 0.000 1.008 536 F HN 0.070 nan 8.300 nan 0.000 0.480 537 L N 0.186 121.247 121.223 -0.270 0.000 2.093 537 L HA -0.180 4.168 4.340 0.014 0.000 0.208 537 L C 2.447 178.983 176.870 -0.558 0.000 1.085 537 L CA 1.119 55.595 54.840 -0.607 0.000 0.755 537 L CB -0.549 41.211 42.059 -0.498 0.000 0.904 537 L HN 0.239 nan 8.230 nan 0.000 0.435 538 I N -0.958 119.531 120.570 -0.135 0.000 2.286 538 I HA -0.234 3.944 4.170 0.014 0.000 0.245 538 I C 2.592 178.777 176.117 0.114 0.000 1.104 538 I CA 0.970 62.377 61.300 0.179 0.000 1.397 538 I CB -0.261 37.947 38.000 0.345 0.000 1.072 538 I HN 0.339 nan 8.210 nan 0.000 0.417 539 Q N 0.519 120.312 119.800 -0.012 0.000 2.124 539 Q HA -0.164 4.184 4.340 0.014 0.000 0.202 539 Q C 2.311 178.277 176.000 -0.055 0.000 0.977 539 Q CA 1.267 57.071 55.803 0.002 0.000 0.850 539 Q CB -0.105 28.631 28.738 -0.004 0.000 0.901 539 Q HN 0.514 nan 8.270 nan 0.000 0.429 540 R N -0.148 120.210 120.500 -0.236 0.000 2.127 540 R HA 0.066 4.414 4.340 0.014 0.000 0.217 540 R C 2.198 178.434 176.300 -0.107 0.000 1.074 540 R CA 0.734 56.691 56.100 -0.238 0.000 0.991 540 R CB -0.129 29.883 30.300 -0.479 0.000 0.895 540 R HN 0.140 nan 8.270 nan 0.000 0.450 541 A N 0.584 123.349 122.820 -0.091 0.000 1.972 541 A HA -0.170 4.158 4.320 0.014 0.000 0.219 541 A C 2.215 179.968 177.584 0.281 0.000 1.169 541 A CA 1.336 53.430 52.037 0.095 0.000 0.635 541 A CB -0.567 18.546 19.000 0.188 0.000 0.810 541 A HN 0.415 nan 8.150 nan 0.000 0.446 542 C N -0.918 118.540 119.300 0.263 0.000 2.495 542 C HA 0.032 4.500 4.460 0.014 0.000 0.275 542 C C 2.777 177.849 174.990 0.136 0.000 1.392 542 C CA 1.096 60.252 59.018 0.229 0.000 1.766 542 C CB -1.252 26.599 27.740 0.186 0.000 1.933 542 C HN 0.707 nan 8.230 nan 0.000 0.519 543 T N 0.124 114.734 114.554 0.093 0.000 2.942 543 T HA -0.055 4.303 4.350 0.014 0.000 0.265 543 T C 0.660 175.405 174.700 0.076 0.000 1.062 543 T CA 0.895 63.036 62.100 0.067 0.000 1.139 543 T CB -0.173 68.718 68.868 0.037 0.000 0.883 543 T HN 0.525 nan 8.240 nan 0.000 0.468 544 N N 0.455 119.207 118.700 0.087 0.000 2.399 544 N HA 0.486 5.234 4.740 0.014 0.000 0.284 544 N C 0.696 176.280 175.510 0.124 0.000 1.025 544 N CA -0.091 53.013 53.050 0.089 0.000 0.885 544 N CB 1.951 40.479 38.487 0.068 0.000 1.339 544 N HN 0.050 nan 8.380 nan 0.000 0.487 545 A N 2.613 125.503 122.820 0.117 0.000 1.933 545 A HA -0.143 4.185 4.320 0.014 0.000 0.218 545 A C 2.001 179.666 177.584 0.135 0.000 1.175 545 A CA 2.384 54.498 52.037 0.129 0.000 0.628 545 A CB -0.922 18.145 19.000 0.111 0.000 0.814 545 A HN 0.836 nan 8.150 nan 0.000 0.444 546 T N -1.892 112.742 114.554 0.132 0.000 2.857 546 T HA -0.036 4.323 4.350 0.014 0.000 0.266 546 T C 1.823 176.678 174.700 0.258 0.000 1.048 546 T CA 1.421 63.615 62.100 0.156 0.000 1.139 546 T CB -0.424 68.556 68.868 0.188 0.000 0.874 546 T HN 0.227 nan 8.240 nan 0.000 0.455 547 L N 0.825 122.195 121.223 0.246 0.000 2.093 547 L HA 0.151 4.499 4.340 0.014 0.000 0.208 547 L C 3.195 180.255 176.870 0.316 0.000 1.085 547 L CA 1.226 56.225 54.840 0.266 0.000 0.755 547 L CB -0.592 41.545 42.059 0.129 0.000 0.904 547 L HN 0.436 nan 8.230 nan 0.000 0.435 548 A N 0.064 123.069 122.820 0.309 0.000 1.933 548 A HA -0.280 4.048 4.320 0.014 0.000 0.218 548 A C 2.010 179.821 177.584 0.379 0.000 1.175 548 A CA 2.089 54.393 52.037 0.444 0.000 0.628 548 A CB -0.923 18.332 19.000 0.425 0.000 0.814 548 A HN 0.621 nan 8.150 nan 0.000 0.444 549 N N -2.251 116.586 118.700 0.228 0.000 2.188 549 N HA -0.191 4.557 4.740 0.014 0.000 0.184 549 N C 1.569 177.200 175.510 0.201 0.000 1.018 549 N CA 1.552 54.668 53.050 0.110 0.000 0.858 549 N CB -0.331 38.106 38.487 -0.083 0.000 0.989 549 N HN 0.453 nan 8.380 nan 0.000 0.426 550 Y N -0.796 119.728 120.300 0.375 0.000 2.286 550 Y HA 0.034 4.594 4.550 0.015 0.000 0.293 550 Y C 1.878 178.158 175.900 0.634 0.000 1.124 550 Y CA 0.670 59.046 58.100 0.461 0.000 1.178 550 Y CB -0.561 38.187 38.460 0.480 0.000 1.010 550 Y HN 0.134 nan 8.280 nan 0.000 0.536 551 F N -0.446 119.750 119.950 0.410 0.000 2.134 551 F HA -0.279 4.257 4.527 0.015 0.000 0.299 551 F C 2.302 178.171 175.800 0.116 0.000 1.097 551 F CA 1.199 59.305 58.000 0.176 0.000 1.264 551 F CB -1.221 37.692 39.000 -0.145 0.000 1.001 551 F HN 0.195 nan 8.300 nan 0.000 0.479 552 Y N -1.048 119.221 120.300 -0.052 0.000 2.163 552 Y HA -0.243 4.314 4.550 0.013 0.000 0.288 552 Y C 2.164 177.889 175.900 -0.291 0.000 1.136 552 Y CA 2.084 60.021 58.100 -0.271 0.000 1.147 552 Y CB -0.881 37.398 38.460 -0.302 0.000 0.987 552 Y HN 0.055 nan 8.280 nan 0.000 0.509 553 W N -1.068 120.397 121.300 0.274 0.000 2.402 553 W HA -0.184 4.484 4.660 0.013 0.000 0.286 553 W C 1.896 178.332 176.519 -0.139 0.000 1.221 553 W CA 1.149 58.542 57.345 0.080 0.000 1.257 553 W CB -0.559 28.867 29.460 -0.056 0.000 1.120 553 W HN 0.124 nan 8.180 nan 0.000 0.551 554 Y N -0.248 120.183 120.300 0.218 0.000 2.263 554 Y HA -0.139 4.419 4.550 0.014 0.000 0.292 554 Y C 2.239 178.072 175.900 -0.111 0.000 1.130 554 Y CA 1.202 59.349 58.100 0.077 0.000 1.179 554 Y CB -0.979 37.552 38.460 0.118 0.000 0.998 554 Y HN -0.122 nan 8.280 nan 0.000 0.532 555 L N -1.479 119.699 121.223 -0.074 0.000 2.179 555 L HA -0.152 4.197 4.340 0.014 0.000 0.208 555 L C 2.595 179.278 176.870 -0.311 0.000 1.096 555 L CA 1.310 55.995 54.840 -0.259 0.000 0.779 555 L CB -0.509 41.315 42.059 -0.392 0.000 0.922 555 L HN 0.144 nan 8.230 nan 0.000 0.443 556 S N 0.304 115.792 115.700 -0.352 0.000 2.402 556 S HA -0.087 4.391 4.470 0.014 0.000 0.229 556 S C 1.905 176.425 174.600 -0.133 0.000 1.021 556 S CA 0.884 58.891 58.200 -0.322 0.000 0.974 556 S CB -0.198 62.749 63.200 -0.421 0.000 0.800 556 S HN 0.360 nan 8.310 nan 0.000 0.484 557 I N 0.944 121.469 120.570 -0.076 0.000 2.439 557 I HA -0.004 4.174 4.170 0.014 0.000 0.251 557 I C 2.478 178.527 176.117 -0.114 0.000 1.139 557 I CA 0.750 62.020 61.300 -0.050 0.000 1.438 557 I CB -0.301 37.684 38.000 -0.025 0.000 1.085 557 I HN 0.182 nan 8.210 nan 0.000 0.427 558 E N 0.713 120.785 120.200 -0.214 0.000 2.152 558 E HA -0.071 4.287 4.350 0.014 0.000 0.192 558 E C 2.442 178.903 176.600 -0.231 0.000 0.983 558 E CA 0.869 57.078 56.400 -0.319 0.000 0.818 558 E CB -0.138 29.105 29.700 -0.762 0.000 0.758 558 E HN 0.307 nan 8.360 nan 0.000 0.467 559 V N 1.792 121.565 119.914 -0.235 0.000 2.379 559 V HA -0.114 4.014 4.120 0.014 0.000 0.243 559 V C 1.305 177.255 176.094 -0.240 0.000 1.035 559 V CA 0.736 62.852 62.300 -0.306 0.000 1.035 559 V CB -0.446 31.224 31.823 -0.253 0.000 0.673 559 V HN 0.325 nan 8.190 nan 0.000 0.457 560 E N 2.075 122.223 120.200 -0.087 0.000 2.502 560 E HA -0.102 4.256 4.350 0.014 0.000 0.261 560 E C -0.069 176.592 176.600 0.100 0.000 0.974 560 E CA -0.306 56.106 56.400 0.021 0.000 0.936 560 E CB 0.486 30.204 29.700 0.030 0.000 0.926 560 E HN 0.595 nan 8.360 nan 0.000 0.459 567 K N -1.061 119.342 120.400 0.004 0.000 3.399 567 K HA 0.157 4.485 4.320 0.014 0.000 0.266 567 K C 0.911 177.519 176.600 0.013 0.000 1.604 567 K CA 0.046 56.338 56.287 0.009 0.000 1.249 567 K CB -0.119 32.389 32.500 0.015 0.000 2.455 567 K HN -0.156 nan 8.250 nan 0.000 0.543 568 Q N 1.669 121.483 119.800 0.022 0.000 2.354 568 Q HA -0.025 4.323 4.340 0.014 0.000 0.203 568 Q C 0.729 176.751 176.000 0.037 0.000 0.933 568 Q CA 1.652 57.472 55.803 0.028 0.000 0.901 568 Q CB 0.032 28.791 28.738 0.035 0.000 1.007 568 Q HN 0.257 nan 8.270 nan 0.000 0.495 569 D N 0.742 121.166 120.400 0.040 0.000 2.158 569 D HA -0.201 4.447 4.640 0.014 0.000 0.197 569 D C 1.312 177.651 176.300 0.066 0.000 0.995 569 D CA 1.457 55.493 54.000 0.059 0.000 0.846 569 D CB -0.008 40.819 40.800 0.045 0.000 0.941 569 D HN 0.513 nan 8.370 nan 0.000 0.456 570 E N -0.208 120.002 120.200 0.018 0.000 2.106 570 E HA -0.104 4.254 4.350 0.014 0.000 0.192 570 E C 2.102 178.722 176.600 0.034 0.000 0.984 570 E CA 0.531 56.924 56.400 -0.011 0.000 0.806 570 E CB 0.218 29.894 29.700 -0.041 0.000 0.750 570 E HN 0.120 nan 8.360 nan 0.000 0.458 571 R N -0.018 120.502 120.500 0.032 0.000 2.090 571 R HA -0.012 4.336 4.340 0.014 0.000 0.228 571 R C 2.051 178.368 176.300 0.028 0.000 1.110 571 R CA 1.188 57.301 56.100 0.021 0.000 0.973 571 R CB -0.454 29.853 30.300 0.011 0.000 0.869 571 R HN 0.133 nan 8.270 nan 0.000 0.440 572 A N 0.005 122.863 122.820 0.062 0.000 1.943 572 A HA -0.119 4.209 4.320 0.014 0.000 0.213 572 A C 2.017 179.724 177.584 0.204 0.000 1.181 572 A CA 1.236 53.318 52.037 0.074 0.000 0.653 572 A CB -0.624 18.455 19.000 0.131 0.000 0.833 572 A HN 0.526 nan 8.150 nan 0.000 0.451 573 H N -0.322 118.813 119.070 0.108 0.000 2.387 573 H HA -0.123 4.441 4.556 0.013 0.000 0.299 573 H C 1.275 176.650 175.328 0.079 0.000 1.090 573 H CA 1.744 57.863 56.048 0.118 0.000 1.332 573 H CB -0.003 29.795 29.762 0.060 0.000 1.386 573 H HN 0.348 nan 8.280 nan 0.000 0.516 574 D N 0.151 120.746 120.400 0.325 0.000 2.183 574 D HA -0.139 4.509 4.640 0.014 0.000 0.203 574 D C 2.197 178.534 176.300 0.060 0.000 0.969 574 D CA 0.861 54.999 54.000 0.229 0.000 0.842 574 D CB -0.159 40.707 40.800 0.110 0.000 0.957 574 D HN 0.422 nan 8.370 nan 0.000 0.484 575 M N -0.780 118.818 119.600 -0.002 0.000 2.156 575 M HA -0.126 4.362 4.480 0.014 0.000 0.264 575 M C 1.427 177.651 176.300 -0.126 0.000 1.067 575 M CA 1.412 56.646 55.300 -0.110 0.000 1.131 575 M CB -0.529 31.940 32.600 -0.219 0.000 1.368 575 M HN 0.072 nan 8.290 nan 0.000 0.416 576 Y N 0.376 120.639 120.300 -0.061 0.000 2.286 576 Y HA -0.028 4.530 4.550 0.013 0.000 0.293 576 Y C 2.597 178.415 175.900 -0.136 0.000 1.124 576 Y CA 1.239 59.281 58.100 -0.097 0.000 1.178 576 Y CB -0.347 38.042 38.460 -0.119 0.000 1.010 576 Y HN 0.418 nan 8.280 nan 0.000 0.536 577 A N -0.230 122.584 122.820 -0.011 0.000 1.972 577 A HA -0.241 4.087 4.320 0.014 0.000 0.219 577 A C 2.202 179.764 177.584 -0.037 0.000 1.169 577 A CA 1.746 53.729 52.037 -0.091 0.000 0.635 577 A CB -0.617 18.311 19.000 -0.120 0.000 0.810 577 A HN 0.513 nan 8.150 nan 0.000 0.446 578 M N -0.832 118.757 119.600 -0.018 0.000 2.193 578 M HA -0.069 4.419 4.480 0.014 0.000 0.265 578 M C 1.957 178.262 176.300 0.010 0.000 1.071 578 M CA 1.098 56.393 55.300 -0.008 0.000 1.140 578 M CB -0.033 32.559 32.600 -0.014 0.000 1.369 578 M HN 0.252 nan 8.290 nan 0.000 0.423 579 V N 0.639 120.562 119.914 0.016 0.000 2.343 579 V HA -0.302 3.826 4.120 0.014 0.000 0.247 579 V C 2.226 178.340 176.094 0.033 0.000 1.051 579 V CA 1.638 63.965 62.300 0.045 0.000 1.036 579 V CB -0.775 31.085 31.823 0.060 0.000 0.654 579 V HN 0.531 nan 8.190 nan 0.000 0.451 580 L N -0.593 120.615 121.223 -0.025 0.000 2.109 580 L HA -0.135 4.213 4.340 0.014 0.000 0.207 580 L C 2.542 179.440 176.870 0.047 0.000 1.086 580 L CA 1.537 56.337 54.840 -0.066 0.000 0.760 580 L CB -0.172 41.782 42.059 -0.175 0.000 0.910 580 L HN 0.253 nan 8.230 nan 0.000 0.437 581 K N -0.500 119.925 120.400 0.041 0.000 2.148 581 K HA -0.098 4.231 4.320 0.014 0.000 0.204 581 K C 1.937 178.654 176.600 0.196 0.000 1.050 581 K CA 1.467 57.816 56.287 0.103 0.000 0.942 581 K CB -0.173 32.354 32.500 0.045 0.000 0.724 581 K HN 0.247 nan 8.250 nan 0.000 0.446 582 M N -1.195 118.495 119.600 0.151 0.000 2.200 582 M HA -0.068 4.420 4.480 0.014 0.000 0.265 582 M C 1.662 178.105 176.300 0.239 0.000 1.066 582 M CA 1.200 56.633 55.300 0.221 0.000 1.127 582 M CB -0.139 32.554 32.600 0.156 0.000 1.379 582 M HN 0.089 nan 8.290 nan 0.000 0.420 583 F N 0.847 120.838 119.950 0.067 0.000 2.186 583 F HA -0.119 4.417 4.527 0.016 0.000 0.299 583 F C 1.704 177.558 175.800 0.090 0.000 1.090 583 F CA 1.439 59.480 58.000 0.068 0.000 1.307 583 F CB -0.229 38.746 39.000 -0.041 0.000 1.019 583 F HN -0.023 nan 8.300 nan 0.000 0.489 584 L N -0.204 121.031 121.223 0.020 0.000 2.156 584 L HA -0.146 4.203 4.340 0.014 0.000 0.208 584 L C 2.319 179.160 176.870 -0.049 0.000 1.095 584 L CA 1.098 55.943 54.840 0.009 0.000 0.770 584 L CB -0.581 41.581 42.059 0.171 0.000 0.914 584 L HN 0.034 nan 8.230 nan 0.000 0.439 585 K N 0.105 120.495 120.400 -0.017 0.000 2.167 585 K HA -0.046 4.282 4.320 0.014 0.000 0.203 585 K C 1.779 178.284 176.600 -0.158 0.000 1.052 585 K CA 0.910 57.130 56.287 -0.112 0.000 0.956 585 K CB -0.185 32.260 32.500 -0.092 0.000 0.735 585 K HN 0.022 nan 8.250 nan 0.000 0.451 586 V N 0.850 120.706 119.914 -0.097 0.000 2.667 586 V HA -0.134 3.994 4.120 0.014 0.000 0.252 586 V C 2.080 178.076 176.094 -0.164 0.000 1.065 586 V CA 1.256 63.502 62.300 -0.090 0.000 1.083 586 V CB -0.324 31.502 31.823 0.005 0.000 0.692 586 V HN 0.209 nan 8.190 nan 0.000 0.468 587 L N -0.796 120.276 121.223 -0.251 0.000 2.168 587 L HA -0.002 4.346 4.340 0.014 0.000 0.203 587 L C 2.503 179.177 176.870 -0.327 0.000 1.078 587 L CA 1.027 55.723 54.840 -0.239 0.000 0.780 587 L CB -0.527 41.400 42.059 -0.219 0.000 0.939 587 L HN 0.258 nan 8.230 nan 0.000 0.451 588 E N 0.434 120.298 120.200 -0.559 0.000 2.273 588 E HA -0.223 4.135 4.350 0.014 0.000 0.198 588 E C 1.170 177.495 176.600 -0.459 0.000 1.002 588 E CA 0.947 56.849 56.400 -0.830 0.000 0.828 588 E CB 0.080 29.274 29.700 -0.842 0.000 0.747 588 E HN 0.437 nan 8.360 nan 0.000 0.491 589 N N -1.263 117.251 118.700 -0.310 0.000 2.294 589 N HA 0.021 4.769 4.740 0.014 0.000 0.186 589 N C 1.264 176.675 175.510 -0.165 0.000 1.107 589 N CA 0.570 53.488 53.050 -0.220 0.000 0.884 589 N CB 0.426 38.801 38.487 -0.187 0.000 1.030 589 N HN 0.115 nan 8.380 nan 0.000 0.482 590 G N 0.936 109.650 108.800 -0.142 0.000 2.547 590 G HA2 -0.103 3.865 3.960 0.014 0.000 0.214 590 G HA3 -0.103 3.865 3.960 0.014 0.000 0.214 590 G C 0.869 175.719 174.900 -0.084 0.000 1.254 590 G CA 1.415 46.463 45.100 -0.087 0.000 0.817 590 G HN 0.530 nan 8.290 nan 0.000 0.551 591 N N -3.085 115.576 118.700 -0.065 0.000 2.539 591 N HA 0.172 4.920 4.740 0.014 0.000 0.338 591 N C 0.976 176.437 175.510 -0.082 0.000 1.221 591 N CA -0.375 52.598 53.050 -0.129 0.000 1.735 591 N CB 0.033 38.470 38.487 -0.084 0.000 0.715 591 N HN 0.136 nan 8.380 nan 0.000 1.554 592 F N -0.482 119.486 119.950 0.030 0.000 2.637 592 F HA 0.409 4.942 4.527 0.010 0.000 0.284 592 F C 1.587 177.426 175.800 0.066 0.000 1.105 592 F CA -0.360 57.670 58.000 0.050 0.000 1.356 592 F CB 0.485 39.507 39.000 0.035 0.000 1.096 592 F HN 0.110 nan 8.300 nan 0.000 0.616 593 N N 0.549 119.400 118.700 0.251 0.000 2.290 593 N HA 0.012 4.760 4.740 0.014 0.000 0.179 593 N C 1.742 177.338 175.510 0.143 0.000 1.016 593 N CA 0.959 54.113 53.050 0.173 0.000 0.871 593 N CB 0.030 38.597 38.487 0.133 0.000 0.987 593 N HN 0.275 nan 8.380 nan 0.000 0.431 594 L N 0.540 121.829 121.223 0.109 0.000 2.162 594 L HA 0.090 4.438 4.340 0.014 0.000 0.205 594 L C 2.471 179.379 176.870 0.064 0.000 1.086 594 L CA 0.552 55.429 54.840 0.061 0.000 0.778 594 L CB -0.092 41.974 42.059 0.012 0.000 0.928 594 L HN -0.015 nan 8.230 nan 0.000 0.446 595 R N -0.178 120.375 120.500 0.089 0.000 2.096 595 R HA -0.108 4.240 4.340 0.014 0.000 0.235 595 R C 2.234 178.694 176.300 0.267 0.000 1.127 595 R CA 1.270 57.421 56.100 0.086 0.000 0.968 595 R CB -0.529 29.879 30.300 0.181 0.000 0.861 595 R HN 0.438 nan 8.270 nan 0.000 0.440 596 G N 0.865 109.851 108.800 0.310 0.000 2.408 596 G HA2 -0.207 3.761 3.960 0.014 0.000 0.217 596 G HA3 -0.207 3.761 3.960 0.014 0.000 0.217 596 G C 1.427 176.478 174.900 0.251 0.000 1.150 596 G CA 0.396 45.698 45.100 0.337 0.000 0.776 596 G HN 0.181 nan 8.290 nan 0.000 0.542 597 I N -0.314 120.358 120.570 0.169 0.000 2.315 597 I HA -0.088 4.090 4.170 0.014 0.000 0.248 597 I C 2.398 178.550 176.117 0.060 0.000 1.117 597 I CA 0.883 62.247 61.300 0.107 0.000 1.404 597 I CB -0.239 37.820 38.000 0.099 0.000 1.071 597 I HN 0.213 nan 8.210 nan 0.000 0.419 598 F N 0.901 120.787 119.950 -0.106 0.000 2.234 598 F HA -0.245 4.286 4.527 0.005 0.000 0.299 598 F C 2.186 177.866 175.800 -0.201 0.000 1.087 598 F CA 1.543 59.409 58.000 -0.224 0.000 1.340 598 F CB -0.336 38.454 39.000 -0.350 0.000 1.031 598 F HN -0.031 nan 8.300 nan 0.000 0.500 599 Y N 0.260 120.582 120.300 0.037 0.000 2.263 599 Y HA -0.153 4.400 4.550 0.005 0.000 0.292 599 Y C 2.328 178.134 175.900 -0.157 0.000 1.130 599 Y CA 1.186 59.258 58.100 -0.046 0.000 1.179 599 Y CB -0.511 37.984 38.460 0.057 0.000 0.998 599 Y HN 0.052 nan 8.280 nan 0.000 0.532 600 N N 0.094 118.810 118.700 0.028 0.000 2.270 600 N HA -0.105 4.643 4.740 0.014 0.000 0.181 600 N C 1.761 177.190 175.510 -0.136 0.000 1.016 600 N CA 0.972 53.999 53.050 -0.038 0.000 0.870 600 N CB -0.288 38.192 38.487 -0.013 0.000 0.979 600 N HN 0.347 nan 8.380 nan 0.000 0.431 601 L N 0.665 121.733 121.223 -0.258 0.000 2.056 601 L HA -0.051 4.298 4.340 0.014 0.000 0.207 601 L C 2.596 179.200 176.870 -0.443 0.000 1.078 601 L CA 0.803 55.374 54.840 -0.449 0.000 0.749 601 L CB -0.202 41.483 42.059 -0.624 0.000 0.901 601 L HN 0.021 nan 8.230 nan 0.000 0.433 602 R N 0.763 121.001 120.500 -0.437 0.000 2.105 602 R HA -0.156 4.192 4.340 0.014 0.000 0.239 602 R C 2.145 178.360 176.300 -0.141 0.000 1.135 602 R CA 1.550 57.447 56.100 -0.338 0.000 0.967 602 R CB -0.213 29.881 30.300 -0.343 0.000 0.861 602 R HN 0.364 nan 8.270 nan 0.000 0.442 603 K N -0.040 120.308 120.400 -0.086 0.000 2.097 603 K HA -0.115 4.213 4.320 0.014 0.000 0.205 603 K C 2.261 178.889 176.600 0.047 0.000 1.050 603 K CA 1.232 57.519 56.287 -0.001 0.000 0.938 603 K CB -0.011 32.487 32.500 -0.004 0.000 0.718 603 K HN 0.297 nan 8.250 nan 0.000 0.442 604 Q N 0.178 119.983 119.800 0.008 0.000 2.083 604 Q HA -0.151 4.197 4.340 0.014 0.000 0.198 604 Q C 2.169 178.317 176.000 0.246 0.000 0.969 604 Q CA 1.156 57.025 55.803 0.111 0.000 0.838 604 Q CB -0.053 28.767 28.738 0.136 0.000 0.900 604 Q HN 0.080 nan 8.270 nan 0.000 0.436 605 R N 1.284 121.845 120.500 0.102 0.000 2.096 605 R HA -0.077 4.271 4.340 0.014 0.000 0.235 605 R C 1.791 178.197 176.300 0.176 0.000 1.127 605 R CA 1.588 57.773 56.100 0.142 0.000 0.968 605 R CB -0.171 30.086 30.300 -0.071 0.000 0.861 605 R HN 0.079 nan 8.270 nan 0.000 0.440 606 R N -1.206 119.364 120.500 0.117 0.000 2.119 606 R HA -0.010 4.338 4.340 0.014 0.000 0.222 606 R C 2.021 178.385 176.300 0.106 0.000 1.088 606 R CA 1.271 57.423 56.100 0.086 0.000 0.984 606 R CB -0.361 29.968 30.300 0.047 0.000 0.884 606 R HN 0.261 nan 8.270 nan 0.000 0.447 607 F N 1.263 121.218 119.950 0.008 0.000 2.163 607 F HA -0.140 4.394 4.527 0.012 0.000 0.297 607 F C 1.827 177.660 175.800 0.055 0.000 1.094 607 F CA 1.114 59.094 58.000 -0.034 0.000 1.290 607 F CB 0.031 38.993 39.000 -0.063 0.000 1.017 607 F HN -0.150 nan 8.300 nan 0.000 0.483 608 I N 0.794 121.616 120.570 0.421 0.000 2.252 608 I HA -0.252 3.926 4.170 0.014 0.000 0.245 608 I C 1.937 178.133 176.117 0.132 0.000 1.102 608 I CA 1.330 62.853 61.300 0.372 0.000 1.385 608 I CB -1.529 36.760 38.000 0.481 0.000 1.064 608 I HN 0.135 nan 8.210 nan 0.000 0.414 609 D N 0.842 121.313 120.400 0.119 0.000 2.149 609 D HA -0.178 4.470 4.640 0.014 0.000 0.198 609 D C 2.114 178.403 176.300 -0.018 0.000 0.990 609 D CA 1.001 55.034 54.000 0.055 0.000 0.839 609 D CB -0.113 40.733 40.800 0.077 0.000 0.948 609 D HN 0.346 nan 8.370 nan 0.000 0.460 610 E N 0.176 120.329 120.200 -0.078 0.000 2.072 610 E HA -0.086 4.272 4.350 0.014 0.000 0.190 610 E C 2.127 178.618 176.600 -0.183 0.000 0.982 610 E CA 0.047 56.368 56.400 -0.131 0.000 0.803 610 E CB -0.303 29.241 29.700 -0.260 0.000 0.755 610 E HN 0.191 nan 8.360 nan 0.000 0.453 611 L N 1.228 122.330 121.223 -0.202 0.000 2.046 611 L HA -0.123 4.225 4.340 0.014 0.000 0.208 611 L C 2.223 178.942 176.870 -0.253 0.000 1.077 611 L CA 1.368 56.008 54.840 -0.335 0.000 0.747 611 L CB -0.881 40.955 42.059 -0.372 0.000 0.896 611 L HN -0.086 nan 8.230 nan 0.000 0.432 612 V N -0.678 119.167 119.914 -0.115 0.000 2.548 612 V HA -0.216 3.913 4.120 0.014 0.000 0.249 612 V C 2.546 178.594 176.094 -0.076 0.000 1.055 612 V CA 1.405 63.677 62.300 -0.047 0.000 1.065 612 V CB -0.704 31.028 31.823 -0.153 0.000 0.681 612 V HN 0.375 nan 8.190 nan 0.000 0.462 613 K N -0.021 120.333 120.400 -0.077 0.000 2.026 613 K HA -0.157 4.171 4.320 0.014 0.000 0.208 613 K C 2.153 178.725 176.600 -0.045 0.000 1.048 613 K CA 1.498 57.777 56.287 -0.014 0.000 0.929 613 K CB -0.389 32.159 32.500 0.081 0.000 0.713 613 K HN 0.335 nan 8.250 nan 0.000 0.439 614 L N 0.959 122.062 121.223 -0.199 0.000 2.017 614 L HA -0.123 4.225 4.340 0.014 0.000 0.208 614 L C 1.935 178.585 176.870 -0.367 0.000 1.073 614 L CA 1.582 56.231 54.840 -0.317 0.000 0.745 614 L CB -0.803 40.831 42.059 -0.708 0.000 0.894 614 L HN -0.092 nan 8.230 nan 0.000 0.432 615 V N 0.239 119.946 119.914 -0.345 0.000 2.392 615 V HA -0.292 3.836 4.120 0.014 0.000 0.249 615 V C 2.727 178.660 176.094 -0.268 0.000 1.059 615 V CA 1.971 64.081 62.300 -0.317 0.000 1.051 615 V CB -0.649 31.181 31.823 0.011 0.000 0.658 615 V HN 0.507 nan 8.190 nan 0.000 0.455 616 K N -0.593 119.707 120.400 -0.166 0.000 2.211 616 K HA -0.020 4.308 4.320 0.014 0.000 0.203 616 K C 1.962 178.495 176.600 -0.112 0.000 1.050 616 K CA 0.972 57.186 56.287 -0.121 0.000 0.945 616 K CB -0.100 32.364 32.500 -0.060 0.000 0.732 616 K HN 0.414 nan 8.250 nan 0.000 0.451 617 L N 0.272 121.428 121.223 -0.112 0.000 2.179 617 L HA -0.093 4.256 4.340 0.014 0.000 0.208 617 L C 2.233 179.035 176.870 -0.113 0.000 1.096 617 L CA 0.560 55.352 54.840 -0.079 0.000 0.779 617 L CB -0.302 41.738 42.059 -0.032 0.000 0.922 617 L HN -0.059 nan 8.230 nan 0.000 0.443 618 V N 0.390 120.188 119.914 -0.194 0.000 2.427 618 V HA -0.207 3.921 4.120 0.014 0.000 0.248 618 V C 2.716 178.735 176.094 -0.125 0.000 1.051 618 V CA 1.696 63.883 62.300 -0.188 0.000 1.048 618 V CB -0.531 31.106 31.823 -0.310 0.000 0.666 618 V HN 0.448 nan 8.190 nan 0.000 0.456 619 A N -0.908 121.819 122.820 -0.154 0.000 2.015 619 A HA -0.162 4.166 4.320 0.014 0.000 0.219 619 A C 2.303 179.847 177.584 -0.067 0.000 1.163 619 A CA 1.549 53.512 52.037 -0.124 0.000 0.646 619 A CB -0.264 18.634 19.000 -0.170 0.000 0.806 619 A HN 0.504 nan 8.150 nan 0.000 0.448 620 K N -0.008 120.354 120.400 -0.063 0.000 2.005 620 K HA -0.044 4.285 4.320 0.014 0.000 0.206 620 K C 0.821 177.404 176.600 -0.029 0.000 1.044 620 K CA 0.592 56.856 56.287 -0.038 0.000 0.942 620 K CB -0.120 32.358 32.500 -0.035 0.000 0.727 620 K HN 0.569 nan 8.250 nan 0.000 0.439 621 E N 2.612 122.793 120.200 -0.032 0.000 2.765 621 E HA -0.062 4.296 4.350 0.014 0.000 0.256 621 E C -2.484 174.108 176.600 -0.013 0.000 0.935 621 E CA -1.120 55.267 56.400 -0.021 0.000 0.954 621 E CB 0.564 30.251 29.700 -0.022 0.000 0.908 621 E HN -0.056 nan 8.360 nan 0.000 0.500 622 P HA 0.446 nan 4.420 nan 0.000 0.284 622 P C -0.627 176.674 177.300 0.002 0.000 1.253 622 P CA -0.378 62.721 63.100 -0.002 0.000 0.800 622 P CB 1.808 33.507 31.700 -0.002 0.000 0.961 623 G N 1.555 110.359 108.800 0.007 0.000 2.361 623 G HA2 0.332 4.300 3.960 0.014 0.000 0.299 623 G HA3 0.332 4.300 3.960 0.014 0.000 0.299 623 G C -1.199 173.710 174.900 0.015 0.000 1.544 623 G CA -0.922 44.184 45.100 0.010 0.000 0.860 623 G HN 0.740 nan 8.290 nan 0.000 0.610 624 N N -0.483 118.226 118.700 0.014 0.000 2.317 624 N HA 0.246 4.995 4.740 0.014 0.000 0.245 624 N C 1.695 177.218 175.510 0.023 0.000 1.294 624 N CA 0.235 53.295 53.050 0.018 0.000 0.924 624 N CB 0.568 39.062 38.487 0.013 0.000 1.186 624 N HN 0.895 nan 8.380 nan 0.000 0.495 625 R N 0.345 120.861 120.500 0.027 0.000 2.113 625 R HA -0.263 4.085 4.340 0.014 0.000 0.244 625 R C 1.121 177.435 176.300 0.024 0.000 1.142 625 R CA 1.898 58.018 56.100 0.033 0.000 0.953 625 R CB -0.672 29.647 30.300 0.032 0.000 0.860 625 R HN 0.617 nan 8.270 nan 0.000 0.438 626 N N 0.564 119.272 118.700 0.014 0.000 2.120 626 N HA -0.153 4.595 4.740 0.014 0.000 0.188 626 N C 1.492 177.009 175.510 0.012 0.000 1.024 626 N CA 1.593 54.647 53.050 0.007 0.000 0.852 626 N CB -0.126 38.362 38.487 0.002 0.000 1.003 626 N HN 0.410 nan 8.380 nan 0.000 0.424 627 K N 0.958 121.367 120.400 0.015 0.000 2.148 627 K HA 0.009 4.337 4.320 0.014 0.000 0.204 627 K C 1.847 178.463 176.600 0.027 0.000 1.050 627 K CA 0.858 57.155 56.287 0.017 0.000 0.942 627 K CB 0.190 32.697 32.500 0.012 0.000 0.724 627 K HN 0.134 nan 8.250 nan 0.000 0.446 628 K N -0.403 120.019 120.400 0.036 0.000 2.103 628 K HA -0.092 4.236 4.320 0.014 0.000 0.204 628 K C 2.203 178.860 176.600 0.095 0.000 1.052 628 K CA 1.567 57.887 56.287 0.054 0.000 0.945 628 K CB -0.122 32.413 32.500 0.059 0.000 0.722 628 K HN 0.189 nan 8.250 nan 0.000 0.443 629 T N 0.230 114.828 114.554 0.074 0.000 2.951 629 T HA -0.077 4.281 4.350 0.014 0.000 0.268 629 T C 1.623 176.366 174.700 0.072 0.000 1.073 629 T CA 1.036 63.179 62.100 0.072 0.000 1.134 629 T CB 0.061 68.919 68.868 -0.016 0.000 0.884 629 T HN 0.195 nan 8.240 nan 0.000 0.479 630 E N 0.235 120.464 120.200 0.047 0.000 2.152 630 E HA -0.086 4.272 4.350 0.014 0.000 0.192 630 E C 2.164 178.800 176.600 0.059 0.000 0.983 630 E CA 1.012 57.434 56.400 0.037 0.000 0.818 630 E CB -0.043 29.669 29.700 0.020 0.000 0.758 630 E HN 0.416 nan 8.360 nan 0.000 0.467 631 K N 0.587 121.027 120.400 0.067 0.000 2.155 631 K HA -0.135 4.193 4.320 0.014 0.000 0.203 631 K C 1.666 178.316 176.600 0.084 0.000 1.052 631 K CA 0.922 57.239 56.287 0.051 0.000 0.948 631 K CB -0.349 32.163 32.500 0.021 0.000 0.728 631 K HN 0.005 nan 8.250 nan 0.000 0.448 632 F N 1.825 121.754 119.950 -0.035 0.000 2.163 632 F HA -0.014 4.522 4.527 0.014 0.000 0.297 632 F C 1.907 177.668 175.800 -0.065 0.000 1.094 632 F CA 1.459 59.423 58.000 -0.059 0.000 1.290 632 F CB -0.270 38.685 39.000 -0.075 0.000 1.017 632 F HN 0.151 nan 8.300 nan 0.000 0.483 633 Q N -0.581 119.348 119.800 0.214 0.000 2.170 633 Q HA -0.200 4.148 4.340 0.014 0.000 0.203 633 Q C 2.065 178.123 176.000 0.096 0.000 0.976 633 Q CA 1.223 57.083 55.803 0.096 0.000 0.858 633 Q CB -0.159 28.595 28.738 0.026 0.000 0.907 633 Q HN 0.054 nan 8.270 nan 0.000 0.433 634 K N 1.145 121.600 120.400 0.092 0.000 2.116 634 K HA 0.005 4.333 4.320 0.014 0.000 0.203 634 K C 1.762 178.422 176.600 0.099 0.000 1.052 634 K CA 0.808 57.140 56.287 0.074 0.000 0.952 634 K CB -0.196 32.335 32.500 0.052 0.000 0.729 634 K HN 0.183 nan 8.250 nan 0.000 0.446 635 L N 0.366 121.655 121.223 0.109 0.000 2.141 635 L HA -0.075 4.273 4.340 0.014 0.000 0.209 635 L C 2.145 179.152 176.870 0.229 0.000 1.094 635 L CA 0.699 55.636 54.840 0.162 0.000 0.763 635 L CB -0.271 41.849 42.059 0.102 0.000 0.908 635 L HN 0.091 nan 8.230 nan 0.000 0.437 636 L N -0.601 120.714 121.223 0.154 0.000 2.156 636 L HA -0.098 4.250 4.340 0.014 0.000 0.208 636 L C 2.619 179.633 176.870 0.239 0.000 1.095 636 L CA 0.955 55.889 54.840 0.156 0.000 0.770 636 L CB -0.555 41.535 42.059 0.052 0.000 0.914 636 L HN 0.217 nan 8.230 nan 0.000 0.439 637 A N -0.657 122.265 122.820 0.170 0.000 2.095 637 A HA -0.048 4.280 4.320 0.014 0.000 0.212 637 A C 1.027 178.693 177.584 0.136 0.000 1.162 637 A CA -0.095 52.025 52.037 0.139 0.000 0.753 637 A CB -0.156 18.897 19.000 0.088 0.000 0.840 637 A HN 0.260 nan 8.150 nan 0.000 0.468 638 E N 1.815 122.106 120.200 0.151 0.000 2.498 638 E HA 0.071 4.429 4.350 0.014 0.000 0.252 638 E C -0.117 176.587 176.600 0.174 0.000 1.025 638 E CA 0.328 56.808 56.400 0.134 0.000 0.938 638 E CB 0.120 29.897 29.700 0.128 0.000 0.947 638 E HN 0.572 nan 8.360 nan 0.000 0.478 639 Q N 3.688 123.553 119.800 0.107 0.000 2.226 639 Q HA 0.240 4.589 4.340 0.014 0.000 0.256 639 Q C -0.445 175.581 176.000 0.043 0.000 0.962 639 Q CA -0.749 55.112 55.803 0.097 0.000 0.887 639 Q CB 1.223 30.005 28.738 0.072 0.000 1.282 639 Q HN 0.568 nan 8.270 nan 0.000 0.449 640 D N 0.021 120.438 120.400 0.028 0.000 3.039 640 D HA -0.261 4.387 4.640 0.014 0.000 0.222 640 D C 0.502 176.746 176.300 -0.093 0.000 1.179 640 D CA 1.366 55.352 54.000 -0.024 0.000 0.880 640 D CB -1.377 39.410 40.800 -0.022 0.000 1.115 640 D HN 0.725 nan 8.370 nan 0.000 0.416 641 M N -1.153 118.359 119.600 -0.147 0.000 2.447 641 M HA 0.121 4.609 4.480 0.014 0.000 0.264 641 M C -0.237 175.671 176.300 -0.653 0.000 1.095 641 M CA 1.199 56.237 55.300 -0.437 0.000 1.125 641 M CB 0.344 32.593 32.600 -0.584 0.000 1.389 641 M HN 0.040 nan 8.290 nan 0.000 0.459 642 F N -0.830 119.081 119.950 -0.065 0.000 2.565 642 F HA 0.322 4.855 4.527 0.010 0.000 0.313 642 F C 0.874 176.578 175.800 -0.160 0.000 1.091 642 F CA -1.103 56.830 58.000 -0.111 0.000 0.915 642 F CB 1.279 40.195 39.000 -0.140 0.000 1.208 642 F HN -0.321 nan 8.300 nan 0.000 0.453 643 K N 0.544 120.984 120.400 0.067 0.000 2.127 643 K HA -0.113 4.215 4.320 0.014 0.000 0.208 643 K C 0.240 176.781 176.600 -0.098 0.000 1.047 643 K CA 0.940 57.214 56.287 -0.021 0.000 0.927 643 K CB 0.056 32.549 32.500 -0.013 0.000 0.716 643 K HN 0.343 nan 8.250 nan 0.000 0.450 644 V N 0.856 120.629 119.914 -0.235 0.000 2.547 644 V HA 0.207 4.335 4.120 0.014 0.000 0.299 644 V C -1.102 174.692 176.094 -0.500 0.000 1.040 644 V CA -0.919 61.141 62.300 -0.400 0.000 0.913 644 V CB 1.501 32.913 31.823 -0.684 0.000 0.992 644 V HN 0.347 nan 8.190 nan 0.000 0.449 645 N N 4.680 123.208 118.700 -0.287 0.000 2.437 645 N HA 0.299 5.047 4.740 0.014 0.000 0.259 645 N C 0.228 175.702 175.510 -0.061 0.000 0.983 645 N CA -0.522 52.432 53.050 -0.160 0.000 0.937 645 N CB 0.887 39.378 38.487 0.007 0.000 1.122 645 N HN 0.620 nan 8.380 nan 0.000 0.499 646 F N 1.186 121.233 119.950 0.161 0.000 2.128 646 F HA -0.139 4.400 4.527 0.020 0.000 0.295 646 F C 2.876 178.903 175.800 0.379 0.000 1.100 646 F CA 1.231 59.395 58.000 0.273 0.000 1.260 646 F CB -0.437 38.621 39.000 0.097 0.000 1.009 646 F HN 0.572 nan 8.300 nan 0.000 0.476 647 T N -2.026 112.755 114.554 0.379 0.000 2.822 647 T HA -0.204 4.154 4.350 0.014 0.000 0.270 647 T C 0.746 175.553 174.700 0.179 0.000 1.064 647 T CA 1.151 63.394 62.100 0.239 0.000 1.131 647 T CB -0.389 68.572 68.868 0.155 0.000 0.858 647 T HN 0.121 nan 8.240 nan 0.000 0.483 648 N N 0.320 119.140 118.700 0.200 0.000 2.235 648 N HA 0.507 5.256 4.740 0.014 0.000 0.293 648 N C -1.426 174.234 175.510 0.249 0.000 1.083 648 N CA -1.052 52.059 53.050 0.102 0.000 0.801 648 N CB 1.984 40.504 38.487 0.056 0.000 1.559 648 N HN 0.368 nan 8.380 nan 0.000 0.472 649 F N -0.606 119.401 119.950 0.095 0.000 2.706 649 F HA 0.605 5.140 4.527 0.013 0.000 0.328 649 F C 0.324 176.142 175.800 0.030 0.000 1.123 649 F CA -1.111 56.927 58.000 0.063 0.000 0.978 649 F CB 0.500 39.569 39.000 0.116 0.000 1.404 649 F HN 0.042 nan 8.300 nan 0.000 0.497 650 E N 1.474 121.797 120.200 0.206 0.000 2.414 650 E HA 0.164 4.522 4.350 0.014 0.000 0.263 650 E C -2.449 174.206 176.600 0.092 0.000 1.000 650 E CA -1.406 55.043 56.400 0.082 0.000 0.914 650 E CB 0.133 29.868 29.700 0.058 0.000 0.948 650 E HN 0.266 nan 8.360 nan 0.000 0.444 651 P HA 0.105 nan 4.420 nan 0.000 0.267 651 P C -0.425 176.780 177.300 -0.158 0.000 1.205 651 P CA 0.530 63.550 63.100 -0.132 0.000 0.765 651 P CB 0.390 31.944 31.700 -0.244 0.000 0.828 652 I N 5.466 125.985 120.570 -0.086 0.000 2.545 652 I HA 0.308 4.486 4.170 0.014 0.000 0.292 652 I C -2.382 173.715 176.117 -0.034 0.000 1.040 652 I CA -3.049 58.199 61.300 -0.087 0.000 1.068 652 I CB 2.638 40.589 38.000 -0.081 0.000 1.251 652 I HN 0.092 nan 8.210 nan 0.000 0.424 653 P HA -0.019 nan 4.420 nan 0.000 0.265 653 P C -0.354 176.954 177.300 0.013 0.000 1.222 653 P CA -0.082 63.120 63.100 0.171 0.000 0.767 653 P CB -0.024 31.761 31.700 0.143 0.000 0.801 654 F N 7.952 127.733 119.950 -0.281 0.000 2.604 654 F HA -0.017 4.517 4.527 0.012 0.000 0.393 654 F C -1.325 174.223 175.800 -0.419 0.000 1.043 654 F CA -1.637 56.067 58.000 -0.493 0.000 1.227 654 F CB -0.142 38.468 39.000 -0.650 0.000 1.016 654 F HN 0.400 nan 8.300 nan 0.000 0.556 655 P HA -0.163 nan 4.420 nan 0.000 0.218 655 P C 2.198 178.988 177.300 -0.850 0.000 1.149 655 P CA 1.188 63.882 63.100 -0.678 0.000 0.817 655 P CB 0.210 31.418 31.700 -0.820 0.000 0.785 656 L N -1.223 119.223 121.223 -1.296 0.000 2.072 656 L HA -0.021 4.327 4.340 0.014 0.000 0.205 656 L C 0.370 176.980 176.870 -0.435 0.000 1.079 656 L CA 1.415 55.742 54.840 -0.854 0.000 0.752 656 L CB -0.058 41.376 42.059 -1.042 0.000 0.906 656 L HN 0.001 nan 8.230 nan 0.000 0.436 657 D N -1.616 118.498 120.400 -0.478 0.000 2.476 657 D HA 0.197 4.845 4.640 0.014 0.000 0.251 657 D C -2.096 174.131 176.300 -0.121 0.000 1.291 657 D CA -1.999 51.919 54.000 -0.136 0.000 0.939 657 D CB 1.864 42.681 40.800 0.028 0.000 1.221 657 D HN -0.158 nan 8.370 nan 0.000 0.567 658 P HA -0.078 nan 4.420 nan 0.000 0.219 658 P C 1.049 178.322 177.300 -0.045 0.000 1.146 658 P CA 0.810 63.871 63.100 -0.065 0.000 0.808 658 P CB 0.494 32.167 31.700 -0.045 0.000 0.779 659 E N -0.734 119.433 120.200 -0.055 0.000 2.150 659 E HA -0.061 4.298 4.350 0.014 0.000 0.193 659 E C 0.548 176.995 176.600 -0.255 0.000 0.985 659 E CA 0.582 56.914 56.400 -0.113 0.000 0.814 659 E CB -0.118 29.553 29.700 -0.048 0.000 0.752 659 E HN 0.301 nan 8.360 nan 0.000 0.466 660 I N 1.075 121.530 120.570 -0.193 0.000 2.331 660 I HA 0.107 4.285 4.170 0.014 0.000 0.292 660 I C -0.132 175.863 176.117 -0.203 0.000 0.998 660 I CA -0.399 60.759 61.300 -0.237 0.000 1.267 660 I CB 0.682 38.581 38.000 -0.168 0.000 1.386 660 I HN -0.106 nan 8.210 nan 0.000 0.476 661 Y N 5.731 125.948 120.300 -0.140 0.000 2.300 661 Y HA 0.472 5.032 4.550 0.017 0.000 0.328 661 Y C 0.760 176.508 175.900 -0.254 0.000 1.270 661 Y CA -1.148 56.853 58.100 -0.165 0.000 1.352 661 Y CB 0.946 39.330 38.460 -0.127 0.000 1.286 661 Y HN 0.379 nan 8.280 nan 0.000 0.536 662 I N -1.658 118.842 120.570 -0.117 0.000 2.676 662 I HA 0.451 4.629 4.170 0.014 0.000 0.309 662 I C 0.091 176.068 176.117 -0.233 0.000 0.990 662 I CA -0.540 60.618 61.300 -0.236 0.000 1.168 662 I CB 1.803 39.561 38.000 -0.404 0.000 1.343 662 I HN 0.614 nan 8.210 nan 0.000 0.482 663 T N 2.495 116.852 114.554 -0.329 0.000 3.274 663 T HA 0.285 4.643 4.350 0.014 0.000 0.186 663 T C 0.711 174.654 174.700 -1.263 0.000 0.799 663 T CA 0.184 61.907 62.100 -0.629 0.000 1.611 663 T CB 0.203 68.861 68.868 -0.351 0.000 2.155 663 T HN 0.654 nan 8.240 nan 0.000 0.427 664 K N 0.509 120.591 120.400 -0.530 0.000 2.117 664 K HA 0.591 4.919 4.320 0.014 0.000 0.240 664 K C -0.425 176.293 176.600 0.198 0.000 1.031 664 K CA -0.384 55.770 56.287 -0.221 0.000 0.909 664 K CB 0.613 33.091 32.500 -0.038 0.000 1.097 664 K HN 0.377 nan 8.250 nan 0.000 0.492 665 I N 1.032 121.810 120.570 0.346 0.000 2.562 665 I HA 0.199 4.377 4.170 0.014 0.000 0.301 665 I C -0.666 175.475 176.117 0.040 0.000 1.003 665 I CA -1.315 60.061 61.300 0.127 0.000 1.127 665 I CB 2.030 40.075 38.000 0.076 0.000 1.304 665 I HN 0.190 nan 8.210 nan 0.000 0.446 666 V N 6.697 126.579 119.914 -0.052 0.000 2.348 666 V HA 0.160 4.288 4.120 0.014 0.000 0.270 666 V C -1.766 174.277 176.094 -0.085 0.000 1.037 666 V CA -1.204 61.068 62.300 -0.047 0.000 0.872 666 V CB 0.786 32.579 31.823 -0.051 0.000 1.002 666 V HN 0.637 nan 8.190 nan 0.000 0.464 667 P HA -0.116 nan 4.420 nan 0.000 0.215 667 P C 1.839 179.087 177.300 -0.087 0.000 1.157 667 P CA 1.181 64.247 63.100 -0.058 0.000 0.868 667 P CB 0.059 31.759 31.700 0.000 0.000 0.788 668 M N -1.281 118.280 119.600 -0.066 0.000 2.202 668 M HA -0.120 4.368 4.480 0.014 0.000 0.262 668 M C 1.847 178.084 176.300 -0.106 0.000 1.063 668 M CA 1.555 56.812 55.300 -0.072 0.000 1.097 668 M CB -1.410 31.160 32.600 -0.051 0.000 1.382 668 M HN -0.093 nan 8.290 nan 0.000 0.413 669 R N -0.094 120.334 120.500 -0.121 0.000 2.276 669 R HA 0.019 4.367 4.340 0.014 0.000 0.203 669 R C 0.601 176.772 176.300 -0.215 0.000 1.017 669 R CA 0.561 56.572 56.100 -0.147 0.000 1.010 669 R CB -0.597 29.627 30.300 -0.127 0.000 0.900 669 R HN 0.496 nan 8.270 nan 0.000 0.469 670 T N 0.042 114.446 114.554 -0.250 0.000 2.794 670 T HA 0.248 4.606 4.350 0.014 0.000 0.296 670 T C 0.217 174.709 174.700 -0.347 0.000 0.949 670 T CA -0.580 61.305 62.100 -0.358 0.000 1.101 670 T CB 1.351 69.928 68.868 -0.486 0.000 0.905 670 T HN 0.055 nan 8.240 nan 0.000 0.516 671 S N 4.028 119.491 115.700 -0.396 0.000 2.726 671 S HA 0.807 5.285 4.470 0.014 0.000 0.308 671 S C -0.465 173.880 174.600 -0.426 0.000 1.115 671 S CA -1.212 56.770 58.200 -0.363 0.000 0.965 671 S CB 1.061 64.059 63.200 -0.338 0.000 1.145 671 S HN 0.784 nan 8.310 nan 0.000 0.532 672 L N 0.554 121.593 121.223 -0.307 0.000 2.342 672 L HA 0.616 4.964 4.340 0.014 0.000 0.271 672 L C -0.896 175.840 176.870 -0.224 0.000 1.008 672 L CA -0.887 53.797 54.840 -0.261 0.000 0.818 672 L CB 0.725 42.751 42.059 -0.056 0.000 1.296 672 L HN 0.532 nan 8.230 nan 0.000 0.427 673 F N 0.760 120.705 119.950 -0.007 0.000 2.403 673 F HA 0.181 4.716 4.527 0.014 0.000 0.320 673 F C 1.344 177.146 175.800 0.004 0.000 1.176 673 F CA -0.337 57.661 58.000 -0.002 0.000 1.206 673 F CB 0.535 39.535 39.000 0.000 0.000 1.235 673 F HN 0.381 nan 8.300 nan 0.000 0.565 674 K N 0.013 120.564 120.400 0.252 0.000 2.097 674 K HA -0.059 4.269 4.320 0.014 0.000 0.205 674 K C 0.806 177.464 176.600 0.097 0.000 1.050 674 K CA 0.606 56.967 56.287 0.124 0.000 0.938 674 K CB -0.581 31.970 32.500 0.084 0.000 0.718 674 K HN 0.436 nan 8.250 nan 0.000 0.442 675 S N 0.251 116.011 115.700 0.099 0.000 2.711 675 S HA -0.097 4.382 4.470 0.014 0.000 0.320 675 S C 1.377 176.016 174.600 0.066 0.000 1.240 675 S CA 0.090 58.322 58.200 0.055 0.000 1.034 675 S CB 0.385 63.600 63.200 0.025 0.000 0.741 675 S HN 0.382 nan 8.310 nan 0.000 0.496 676 A N 5.608 128.455 122.820 0.046 0.000 1.930 676 A HA 0.126 4.455 4.320 0.014 0.000 0.217 676 A C 1.211 178.831 177.584 0.059 0.000 1.175 676 A CA 0.654 52.720 52.037 0.049 0.000 0.627 676 A CB -0.275 18.749 19.000 0.039 0.000 0.815 676 A HN 0.806 nan 8.150 nan 0.000 0.443 677 L N 1.096 122.347 121.223 0.046 0.000 2.360 677 L HA 0.289 4.637 4.340 0.014 0.000 0.276 677 L C -0.544 176.355 176.870 0.049 0.000 1.121 677 L CA 0.010 54.879 54.840 0.049 0.000 0.845 677 L CB 0.896 42.957 42.059 0.004 0.000 1.143 677 L HN 0.401 nan 8.230 nan 0.000 0.452 678 M N 8.268 127.947 119.600 0.131 0.000 2.365 678 M HA 0.292 4.780 4.480 0.014 0.000 0.350 678 M C -2.309 174.053 176.300 0.103 0.000 1.274 678 M CA -1.593 53.812 55.300 0.175 0.000 1.252 678 M CB 0.911 33.652 32.600 0.235 0.000 1.297 678 M HN 0.315 nan 8.290 nan 0.000 0.438 679 P HA 0.413 nan 4.420 nan 0.000 0.290 679 P C -0.947 176.378 177.300 0.043 0.000 1.275 679 P CA -0.508 62.567 63.100 -0.040 0.000 0.841 679 P CB 1.164 32.897 31.700 0.055 0.000 1.042 680 A N 2.775 125.634 122.820 0.065 0.000 2.332 680 A HA 0.323 4.652 4.320 0.014 0.000 0.258 680 A C 0.370 177.808 177.584 -0.245 0.000 1.087 680 A CA -0.309 51.634 52.037 -0.156 0.000 0.802 680 A CB -0.063 18.803 19.000 -0.224 0.000 1.042 680 A HN 0.542 nan 8.150 nan 0.000 0.489 681 K N 0.402 120.512 120.400 -0.483 0.000 2.118 681 K HA 0.509 4.837 4.320 0.014 0.000 0.264 681 K C -0.908 175.504 176.600 -0.314 0.000 1.000 681 K CA -0.424 55.632 56.287 -0.384 0.000 0.929 681 K CB 0.388 32.545 32.500 -0.572 0.000 1.021 681 K HN 0.464 nan 8.250 nan 0.000 0.463 682 L N 1.564 122.667 121.223 -0.199 0.000 2.301 682 L HA 0.495 4.843 4.340 0.014 0.000 0.264 682 L C -0.137 176.513 176.870 -0.366 0.000 1.016 682 L CA -0.544 54.074 54.840 -0.370 0.000 0.821 682 L CB 1.926 43.710 42.059 -0.458 0.000 1.346 682 L HN 0.764 nan 8.230 nan 0.000 0.429 683 T N 0.916 115.205 114.554 -0.443 0.000 2.918 683 T HA 0.733 5.091 4.350 0.014 0.000 0.286 683 T C -0.585 173.798 174.700 -0.528 0.000 1.026 683 T CA -0.168 61.751 62.100 -0.302 0.000 1.031 683 T CB 1.262 70.032 68.868 -0.163 0.000 1.046 683 T HN 0.166 nan 8.240 nan 0.000 0.479 684 F N 0.337 120.299 119.950 0.020 0.000 2.598 684 F HA 0.665 5.199 4.527 0.012 0.000 0.327 684 F C 0.487 176.293 175.800 0.011 0.000 1.057 684 F CA -1.372 56.627 58.000 -0.001 0.000 0.957 684 F CB 1.047 39.986 39.000 -0.101 0.000 1.278 684 F HN 0.379 nan 8.300 nan 0.000 0.484 685 V N -0.126 119.895 119.914 0.178 0.000 3.083 685 V HA 0.790 4.919 4.120 0.014 0.000 0.306 685 V C -0.179 175.970 176.094 0.091 0.000 1.077 685 V CA 0.046 62.433 62.300 0.145 0.000 1.073 685 V CB 1.440 33.352 31.823 0.148 0.000 1.081 685 V HN 0.962 nan 8.190 nan 0.000 0.474 686 T N 0.093 114.683 114.554 0.060 0.000 2.916 686 T HA 0.420 4.778 4.350 0.014 0.000 0.292 686 T C 1.221 175.877 174.700 -0.074 0.000 1.064 686 T CA 0.127 62.206 62.100 -0.034 0.000 1.011 686 T CB 1.271 70.118 68.868 -0.035 0.000 1.152 686 T HN 1.848 nan 8.240 nan 0.000 0.510 687 S N 1.104 116.756 115.700 -0.080 0.000 2.428 687 S HA -0.148 4.330 4.470 0.014 0.000 0.240 687 S C 1.002 175.505 174.600 -0.162 0.000 1.036 687 S CA 1.221 59.370 58.200 -0.085 0.000 1.009 687 S CB -1.330 61.889 63.200 0.031 0.000 0.803 687 S HN 0.942 nan 8.310 nan 0.000 0.486 688 I N -2.927 117.515 120.570 -0.213 0.000 2.362 688 I HA 0.758 4.936 4.170 0.014 0.000 0.289 688 I C 0.541 176.427 176.117 -0.385 0.000 0.994 688 I CA -0.621 60.499 61.300 -0.301 0.000 1.158 688 I CB 1.202 39.005 38.000 -0.327 0.000 1.315 688 I HN 0.203 nan 8.210 nan 0.000 0.451 689 A N 5.242 127.881 122.820 -0.302 0.000 2.596 689 A HA -0.262 4.066 4.320 0.014 0.000 0.300 689 A C 0.918 178.546 177.584 0.073 0.000 1.495 689 A CA 1.401 53.359 52.037 -0.132 0.000 0.769 689 A CB -2.407 16.606 19.000 0.021 0.000 1.047 689 A HN 1.162 nan 8.150 nan 0.000 0.436 690 H N -2.701 116.409 119.070 0.066 0.000 2.806 690 H HA -0.232 4.331 4.556 0.013 0.000 0.303 690 H C 0.395 175.831 175.328 0.180 0.000 1.089 690 H CA 1.396 57.499 56.048 0.091 0.000 1.165 690 H CB -2.025 27.774 29.762 0.060 0.000 1.350 690 H HN 0.945 nan 8.280 nan 0.000 0.373 691 H N 1.949 121.065 119.070 0.077 0.000 3.140 691 H HA 0.005 4.569 4.556 0.014 0.000 0.316 691 H C 1.129 176.519 175.328 0.104 0.000 0.986 691 H CA 0.588 56.683 56.048 0.079 0.000 1.397 691 H CB 0.606 30.404 29.762 0.061 0.000 1.377 691 H HN 0.320 nan 8.280 nan 0.000 0.585 692 E N 1.998 122.299 120.200 0.168 0.000 2.391 692 E HA 0.102 4.460 4.350 0.014 0.000 0.255 692 E C -0.477 176.272 176.600 0.248 0.000 1.187 692 E CA -0.022 56.475 56.400 0.161 0.000 0.941 692 E CB 1.049 30.796 29.700 0.078 0.000 1.010 692 E HN 0.563 nan 8.360 nan 0.000 0.458 693 Y N -1.104 119.275 120.300 0.132 0.000 2.524 693 Y HA 0.484 5.043 4.550 0.015 0.000 0.347 693 Y C -1.092 174.923 175.900 0.192 0.000 1.005 693 Y CA -0.622 57.571 58.100 0.154 0.000 1.025 693 Y CB 1.870 40.390 38.460 0.100 0.000 1.275 693 Y HN 0.565 nan 8.280 nan 0.000 0.460 694 A N 2.691 125.605 122.820 0.156 0.000 2.384 694 A HA 0.989 5.317 4.320 0.014 0.000 0.312 694 A C -1.425 176.459 177.584 0.500 0.000 1.113 694 A CA -0.106 52.094 52.037 0.272 0.000 0.779 694 A CB 1.154 20.148 19.000 -0.010 0.000 1.307 694 A HN 1.150 nan 8.150 nan 0.000 0.436 695 A N 0.360 123.532 122.820 0.587 0.000 2.485 695 A HA 0.820 5.148 4.320 0.014 0.000 0.292 695 A C -0.520 177.362 177.584 0.497 0.000 1.147 695 A CA -0.616 51.827 52.037 0.676 0.000 0.750 695 A CB 0.632 20.262 19.000 1.050 0.000 1.331 695 A HN 0.754 nan 8.150 nan 0.000 0.419 696 I N -0.401 120.473 120.570 0.506 0.000 2.934 696 I HA 0.527 4.705 4.170 0.014 0.000 0.315 696 I C -0.768 175.591 176.117 0.403 0.000 0.997 696 I CA -0.274 61.271 61.300 0.408 0.000 1.184 696 I CB 1.291 39.535 38.000 0.408 0.000 1.400 696 I HN 0.615 nan 8.210 nan 0.000 0.549 697 F N 3.260 123.231 119.950 0.035 0.000 2.607 697 F HA 0.419 4.955 4.527 0.014 0.000 0.322 697 F C -0.849 174.866 175.800 -0.141 0.000 1.176 697 F CA -0.743 57.147 58.000 -0.184 0.000 0.977 697 F CB 1.199 40.031 39.000 -0.279 0.000 1.242 697 F HN 0.266 nan 8.300 nan 0.000 0.465 698 K N 5.372 125.394 120.400 -0.630 0.000 2.358 698 K HA 0.336 4.664 4.320 0.014 0.000 0.260 698 K C 0.260 176.492 176.600 -0.615 0.000 0.956 698 K CA -0.542 55.415 56.287 -0.550 0.000 0.834 698 K CB 0.605 32.932 32.500 -0.288 0.000 1.102 698 K HN 0.812 nan 8.250 nan 0.000 0.431 699 H N 2.185 121.110 119.070 -0.243 0.000 2.563 699 H HA 0.144 4.708 4.556 0.013 0.000 0.264 699 H C 0.972 176.261 175.328 -0.064 0.000 0.957 699 H CA 0.543 56.495 56.048 -0.161 0.000 1.173 699 H CB 0.819 30.546 29.762 -0.058 0.000 1.420 699 H HN 0.715 nan 8.280 nan 0.000 0.551 700 G N -0.062 108.724 108.800 -0.024 0.000 2.921 700 G HA2 0.018 3.986 3.960 0.014 0.000 0.213 700 G HA3 0.018 3.986 3.960 0.014 0.000 0.213 700 G C -0.253 174.645 174.900 -0.003 0.000 1.143 700 G CA -0.002 45.118 45.100 0.035 0.000 0.764 700 G HN 0.284 nan 8.290 nan 0.000 0.542 701 D N -0.955 119.419 120.400 -0.043 0.000 2.533 701 D HA 0.396 5.044 4.640 0.014 0.000 0.247 701 D C -1.393 174.878 176.300 -0.048 0.000 1.056 701 D CA -0.665 53.313 54.000 -0.038 0.000 1.054 701 D CB 2.215 42.990 40.800 -0.042 0.000 1.400 701 D HN -0.092 nan 8.370 nan 0.000 0.533 702 D N 0.958 121.334 120.400 -0.039 0.000 2.233 702 D HA 0.168 4.816 4.640 0.014 0.000 0.240 702 D C 0.248 176.531 176.300 -0.028 0.000 1.074 702 D CA -0.228 53.745 54.000 -0.043 0.000 0.838 702 D CB 1.269 42.049 40.800 -0.033 0.000 1.124 702 D HN 0.361 nan 8.370 nan 0.000 0.475 703 L N 3.630 124.836 121.223 -0.028 0.000 2.592 703 L HA 0.171 4.519 4.340 0.014 0.000 0.227 703 L C 2.292 179.178 176.870 0.027 0.000 1.127 703 L CA -0.190 54.655 54.840 0.009 0.000 0.884 703 L CB 0.065 42.132 42.059 0.013 0.000 1.065 703 L HN 0.293 nan 8.230 nan 0.000 0.457 704 R N 0.306 120.812 120.500 0.010 0.000 2.139 704 R HA -0.270 4.078 4.340 0.014 0.000 0.243 704 R C 2.072 178.384 176.300 0.020 0.000 1.145 704 R CA 1.703 57.814 56.100 0.018 0.000 0.976 704 R CB -0.292 30.011 30.300 0.006 0.000 0.866 704 R HN 0.462 nan 8.270 nan 0.000 0.449 705 Q N 0.942 120.755 119.800 0.022 0.000 2.187 705 Q HA -0.143 4.205 4.340 0.014 0.000 0.199 705 Q C 0.799 176.830 176.000 0.051 0.000 0.957 705 Q CA 1.664 57.483 55.803 0.026 0.000 0.857 705 Q CB 0.207 28.963 28.738 0.030 0.000 0.929 705 Q HN 0.267 nan 8.270 nan 0.000 0.453 706 D N 0.415 120.871 120.400 0.094 0.000 2.183 706 D HA -0.182 4.467 4.640 0.014 0.000 0.203 706 D C 1.924 178.279 176.300 0.092 0.000 0.969 706 D CA 1.408 55.512 54.000 0.173 0.000 0.842 706 D CB 0.072 41.015 40.800 0.239 0.000 0.957 706 D HN 0.487 nan 8.370 nan 0.000 0.484 707 Q N 0.446 120.283 119.800 0.062 0.000 2.123 707 Q HA -0.100 4.248 4.340 0.014 0.000 0.199 707 Q C 2.236 178.225 176.000 -0.018 0.000 0.966 707 Q CA 0.723 56.549 55.803 0.038 0.000 0.845 707 Q CB -0.469 28.312 28.738 0.071 0.000 0.907 707 Q HN 0.359 nan 8.270 nan 0.000 0.439 708 L N 0.377 121.580 121.223 -0.034 0.000 2.046 708 L HA -0.140 4.208 4.340 0.014 0.000 0.208 708 L C 2.211 179.008 176.870 -0.123 0.000 1.077 708 L CA 1.008 55.793 54.840 -0.092 0.000 0.747 708 L CB -0.096 41.895 42.059 -0.115 0.000 0.896 708 L HN 0.254 nan 8.230 nan 0.000 0.432 709 I N -0.257 120.227 120.570 -0.144 0.000 2.439 709 I HA -0.226 3.953 4.170 0.014 0.000 0.251 709 I C 2.414 178.345 176.117 -0.311 0.000 1.139 709 I CA 1.195 62.335 61.300 -0.268 0.000 1.438 709 I CB -0.615 37.086 38.000 -0.500 0.000 1.085 709 I HN 0.352 nan 8.210 nan 0.000 0.427 710 L N 0.372 121.449 121.223 -0.243 0.000 2.109 710 L HA -0.197 4.151 4.340 0.014 0.000 0.207 710 L C 2.687 179.446 176.870 -0.184 0.000 1.086 710 L CA 1.130 55.825 54.840 -0.243 0.000 0.760 710 L CB -0.477 41.443 42.059 -0.232 0.000 0.910 710 L HN 0.295 nan 8.230 nan 0.000 0.437 711 Q N -0.737 118.978 119.800 -0.141 0.000 2.096 711 Q HA -0.273 4.075 4.340 0.014 0.000 0.204 711 Q C 2.198 178.124 176.000 -0.124 0.000 0.982 711 Q CA 1.663 57.388 55.803 -0.130 0.000 0.850 711 Q CB -0.096 28.572 28.738 -0.116 0.000 0.901 711 Q HN 0.319 nan 8.270 nan 0.000 0.422 712 M N 0.313 119.844 119.600 -0.115 0.000 2.117 712 M HA -0.077 4.411 4.480 0.014 0.000 0.262 712 M C 2.167 178.398 176.300 -0.114 0.000 1.065 712 M CA 1.283 56.542 55.300 -0.067 0.000 1.114 712 M CB -0.622 31.970 32.600 -0.014 0.000 1.361 712 M HN 0.344 nan 8.290 nan 0.000 0.408 713 I N -0.861 119.605 120.570 -0.173 0.000 2.353 713 I HA -0.236 3.942 4.170 0.014 0.000 0.248 713 I C 2.124 178.145 176.117 -0.161 0.000 1.119 713 I CA 1.040 62.224 61.300 -0.193 0.000 1.417 713 I CB -0.496 37.374 38.000 -0.215 0.000 1.078 713 I HN 0.248 nan 8.210 nan 0.000 0.421 714 T N 1.407 115.871 114.554 -0.150 0.000 2.746 714 T HA -0.177 4.181 4.350 0.014 0.000 0.267 714 T C 1.939 176.562 174.700 -0.129 0.000 1.039 714 T CA 1.384 63.403 62.100 -0.134 0.000 1.142 714 T CB -0.265 68.521 68.868 -0.136 0.000 0.866 714 T HN 0.362 nan 8.240 nan 0.000 0.444 715 L N -0.020 121.126 121.223 -0.128 0.000 2.109 715 L HA 0.049 4.397 4.340 0.014 0.000 0.207 715 L C 2.333 179.135 176.870 -0.115 0.000 1.086 715 L CA 1.321 56.089 54.840 -0.120 0.000 0.760 715 L CB -0.318 41.685 42.059 -0.094 0.000 0.910 715 L HN 0.258 nan 8.230 nan 0.000 0.437 716 M N -0.099 119.433 119.600 -0.113 0.000 2.229 716 M HA -0.181 4.307 4.480 0.014 0.000 0.264 716 M C 1.909 178.129 176.300 -0.133 0.000 1.063 716 M CA 1.833 57.062 55.300 -0.117 0.000 1.114 716 M CB -0.614 31.917 32.600 -0.116 0.000 1.387 716 M HN 0.457 nan 8.290 nan 0.000 0.420 717 D N 0.810 121.130 120.400 -0.133 0.000 2.144 717 D HA -0.164 4.484 4.640 0.014 0.000 0.200 717 D C 1.679 177.910 176.300 -0.116 0.000 0.978 717 D CA 1.259 55.185 54.000 -0.122 0.000 0.833 717 D CB -0.018 40.716 40.800 -0.110 0.000 0.961 717 D HN 0.296 nan 8.370 nan 0.000 0.470 718 K N 0.027 120.356 120.400 -0.118 0.000 2.097 718 K HA -0.033 4.295 4.320 0.014 0.000 0.206 718 K C 2.474 178.993 176.600 -0.135 0.000 1.049 718 K CA 0.568 56.788 56.287 -0.112 0.000 0.933 718 K CB 0.000 32.434 32.500 -0.111 0.000 0.717 718 K HN 0.219 nan 8.250 nan 0.000 0.442 719 L N 0.816 121.931 121.223 -0.181 0.000 2.083 719 L HA -0.178 4.170 4.340 0.014 0.000 0.209 719 L C 2.160 178.894 176.870 -0.226 0.000 1.083 719 L CA 0.983 55.648 54.840 -0.293 0.000 0.752 719 L CB -0.270 41.546 42.059 -0.405 0.000 0.899 719 L HN 0.233 nan 8.230 nan 0.000 0.433 720 L N -1.255 119.868 121.223 -0.167 0.000 2.209 720 L HA -0.070 4.278 4.340 0.014 0.000 0.207 720 L C 2.632 179.418 176.870 -0.140 0.000 1.094 720 L CA 0.684 55.427 54.840 -0.162 0.000 0.790 720 L CB -0.550 41.416 42.059 -0.154 0.000 0.932 720 L HN 0.245 nan 8.230 nan 0.000 0.447 721 R N 0.129 120.562 120.500 -0.112 0.000 2.115 721 R HA -0.044 4.304 4.340 0.014 0.000 0.226 721 R C 2.365 178.625 176.300 -0.066 0.000 1.100 721 R CA 0.639 56.690 56.100 -0.083 0.000 0.980 721 R CB -0.007 30.251 30.300 -0.070 0.000 0.875 721 R HN 0.345 nan 8.270 nan 0.000 0.445 722 R N 0.489 120.948 120.500 -0.068 0.000 2.092 722 R HA -0.082 4.267 4.340 0.014 0.000 0.231 722 R C 1.510 177.802 176.300 -0.014 0.000 1.119 722 R CA 0.886 56.964 56.100 -0.037 0.000 0.970 722 R CB 0.015 30.293 30.300 -0.037 0.000 0.864 722 R HN 0.168 nan 8.270 nan 0.000 0.440 723 E N 0.049 120.231 120.200 -0.029 0.000 2.482 723 E HA -0.074 4.285 4.350 0.014 0.000 0.196 723 E C 0.207 176.781 176.600 -0.043 0.000 1.047 723 E CA 0.156 56.556 56.400 -0.000 0.000 0.869 723 E CB -0.320 29.351 29.700 -0.048 0.000 0.836 723 E HN 0.286 nan 8.360 nan 0.000 0.520 724 N N -0.782 117.882 118.700 -0.061 0.000 2.937 724 N HA -0.129 4.619 4.740 0.014 0.000 0.248 724 N C -1.221 174.238 175.510 -0.086 0.000 1.069 724 N CA 0.083 53.100 53.050 -0.054 0.000 0.822 724 N CB -0.474 37.999 38.487 -0.023 0.000 1.122 724 N HN -0.019 nan 8.380 nan 0.000 0.554 725 L N 1.233 122.370 121.223 -0.142 0.000 2.298 725 L HA 0.461 4.809 4.340 0.014 0.000 0.284 725 L C -0.418 176.383 176.870 -0.115 0.000 1.013 725 L CA -0.032 54.714 54.840 -0.156 0.000 0.824 725 L CB 1.246 43.137 42.059 -0.280 0.000 1.221 725 L HN 0.189 nan 8.230 nan 0.000 0.418 726 D N 5.209 125.564 120.400 -0.076 0.000 2.421 726 D HA 0.349 4.997 4.640 0.014 0.000 0.254 726 D C -0.857 175.421 176.300 -0.038 0.000 1.238 726 D CA -0.283 53.683 54.000 -0.056 0.000 0.919 726 D CB 0.698 41.473 40.800 -0.041 0.000 1.152 726 D HN 0.295 nan 8.370 nan 0.000 0.552 727 L N 2.620 123.821 121.223 -0.037 0.000 2.307 727 L HA 0.478 4.826 4.340 0.014 0.000 0.282 727 L C 0.848 177.729 176.870 0.018 0.000 1.051 727 L CA -1.103 53.732 54.840 -0.008 0.000 0.804 727 L CB 1.280 43.329 42.059 -0.017 0.000 1.197 727 L HN 0.053 nan 8.230 nan 0.000 0.431 728 K N 4.675 125.104 120.400 0.047 0.000 2.715 728 K HA 0.310 4.639 4.320 0.014 0.000 0.248 728 K C -0.149 176.522 176.600 0.118 0.000 1.276 728 K CA 0.049 56.371 56.287 0.058 0.000 1.209 728 K CB -0.674 31.854 32.500 0.047 0.000 1.509 728 K HN 0.527 nan 8.250 nan 0.000 0.261 729 L N 1.155 122.445 121.223 0.111 0.000 2.417 729 L HA 0.173 4.521 4.340 0.014 0.000 0.268 729 L C 0.882 177.838 176.870 0.143 0.000 1.158 729 L CA -0.244 54.724 54.840 0.213 0.000 0.819 729 L CB 0.201 42.286 42.059 0.043 0.000 1.112 729 L HN 0.268 nan 8.230 nan 0.000 0.458 730 T N -0.638 114.033 114.554 0.194 0.000 2.788 730 T HA 0.510 4.868 4.350 0.014 0.000 0.296 730 T C -2.470 172.253 174.700 0.039 0.000 1.009 730 T CA -1.717 60.387 62.100 0.007 0.000 0.949 730 T CB 1.308 70.007 68.868 -0.281 0.000 0.946 730 T HN 0.383 nan 8.240 nan 0.000 0.453 731 P HA 0.275 nan 4.420 nan 0.000 0.220 731 P C -0.535 176.695 177.300 -0.117 0.000 1.828 731 P CA -0.762 62.270 63.100 -0.112 0.000 1.159 731 P CB -0.585 31.054 31.700 -0.102 0.000 1.758 732 Y N -0.271 120.026 120.300 -0.005 0.000 2.457 732 Y HA 0.314 4.872 4.550 0.013 0.000 0.341 732 Y C 0.510 176.445 175.900 0.058 0.000 1.240 732 Y CA -0.749 57.353 58.100 0.003 0.000 1.437 732 Y CB 0.534 38.982 38.460 -0.020 0.000 1.328 732 Y HN -0.004 nan 8.280 nan 0.000 0.588 733 K N 2.248 122.810 120.400 0.269 0.000 2.276 733 K HA 0.470 4.798 4.320 0.014 0.000 0.283 733 K C -1.071 175.697 176.600 0.279 0.000 1.044 733 K CA -0.477 55.926 56.287 0.194 0.000 0.944 733 K CB 1.154 33.761 32.500 0.178 0.000 1.012 733 K HN 0.587 nan 8.250 nan 0.000 0.472 734 V N 4.270 124.302 119.914 0.197 0.000 2.769 734 V HA 0.476 4.604 4.120 0.014 0.000 0.312 734 V C -0.775 175.397 176.094 0.130 0.000 1.058 734 V CA -0.948 61.476 62.300 0.207 0.000 0.952 734 V CB 1.736 33.677 31.823 0.197 0.000 1.019 734 V HN 0.546 nan 8.190 nan 0.000 0.445 735 L N 2.849 124.130 121.223 0.097 0.000 2.371 735 L HA 0.952 5.300 4.340 0.014 0.000 0.262 735 L C -0.250 176.616 176.870 -0.007 0.000 1.006 735 L CA -0.429 54.418 54.840 0.011 0.000 0.818 735 L CB 1.896 43.894 42.059 -0.102 0.000 1.354 735 L HN 0.742 nan 8.230 nan 0.000 0.415 736 A N 2.041 124.830 122.820 -0.051 0.000 2.306 736 A HA 0.730 5.058 4.320 0.014 0.000 0.314 736 A C 0.104 177.617 177.584 -0.118 0.000 1.164 736 A CA -0.330 51.665 52.037 -0.070 0.000 0.822 736 A CB 0.300 19.262 19.000 -0.063 0.000 1.130 736 A HN 0.805 nan 8.150 nan 0.000 0.496 737 T N 1.317 115.793 114.554 -0.131 0.000 2.698 737 T HA 0.308 4.667 4.350 0.014 0.000 0.295 737 T C 1.021 175.688 174.700 -0.055 0.000 1.007 737 T CA 0.577 62.633 62.100 -0.073 0.000 0.980 737 T CB 0.225 69.149 68.868 0.094 0.000 1.036 737 T HN 1.488 nan 8.240 nan 0.000 0.526 738 S N 2.019 117.778 115.700 0.098 0.000 3.799 738 S HA -0.070 4.409 4.470 0.014 0.000 0.454 738 S C 0.571 174.917 174.600 -0.424 0.000 1.130 738 S CA -0.119 58.025 58.200 -0.094 0.000 0.966 738 S CB -0.925 62.319 63.200 0.075 0.000 0.680 738 S HN 1.063 nan 8.310 nan 0.000 0.496 739 S N 3.360 118.932 115.700 -0.213 0.000 2.558 739 S HA 0.025 4.503 4.470 0.014 0.000 0.297 739 S C 0.988 175.466 174.600 -0.203 0.000 1.283 739 S CA 0.395 58.487 58.200 -0.179 0.000 1.044 739 S CB 0.085 63.237 63.200 -0.081 0.000 0.789 739 S HN 2.103 nan 8.310 nan 0.000 0.500 740 K N -0.446 119.873 120.400 -0.136 0.000 3.578 740 K HA -0.257 4.071 4.320 0.014 0.000 0.270 740 K C -0.233 176.358 176.600 -0.015 0.000 1.003 740 K CA 1.745 58.002 56.287 -0.050 0.000 1.128 740 K CB -2.565 29.958 32.500 0.038 0.000 1.341 740 K HN 1.057 nan 8.250 nan 0.000 0.499 741 H N 0.302 119.305 119.070 -0.111 0.000 2.670 741 H HA 0.863 5.427 4.556 0.014 0.000 0.361 741 H C 0.512 175.675 175.328 -0.275 0.000 1.169 741 H CA -0.257 55.610 56.048 -0.302 0.000 1.198 741 H CB 2.112 31.698 29.762 -0.294 0.000 1.700 741 H HN 0.404 nan 8.280 nan 0.000 0.542 742 G N -0.148 108.441 108.800 -0.353 0.000 2.663 742 G HA2 0.476 4.445 3.960 0.014 0.000 0.299 742 G HA3 0.476 4.445 3.960 0.014 0.000 0.299 742 G C -1.942 172.825 174.900 -0.222 0.000 1.372 742 G CA -0.829 44.161 45.100 -0.184 0.000 0.781 742 G HN 0.370 nan 8.290 nan 0.000 0.491 743 F N -0.590 119.388 119.950 0.046 0.000 2.541 743 F HA 0.798 5.332 4.527 0.012 0.000 0.331 743 F C 0.291 176.177 175.800 0.143 0.000 1.057 743 F CA -0.718 57.379 58.000 0.162 0.000 0.975 743 F CB 2.134 41.202 39.000 0.113 0.000 1.246 743 F HN 0.137 nan 8.300 nan 0.000 0.484 744 L N 0.794 122.269 121.223 0.420 0.000 2.409 744 L HA 0.439 4.787 4.340 0.014 0.000 0.262 744 L C -0.668 176.445 176.870 0.405 0.000 0.992 744 L CA -1.056 53.997 54.840 0.355 0.000 0.817 744 L CB 1.825 44.031 42.059 0.244 0.000 1.350 744 L HN 0.552 nan 8.230 nan 0.000 0.411 745 Q N 1.031 121.055 119.800 0.373 0.000 2.395 745 Q HA 0.086 4.435 4.340 0.014 0.000 0.271 745 Q C -1.642 174.517 176.000 0.264 0.000 1.026 745 Q CA 0.110 56.131 55.803 0.363 0.000 0.900 745 Q CB 0.899 29.818 28.738 0.301 0.000 1.266 745 Q HN 0.502 nan 8.270 nan 0.000 0.430 746 Y N 3.395 123.768 120.300 0.121 0.000 2.331 746 Y HA 0.440 4.998 4.550 0.014 0.000 0.338 746 Y C -0.963 174.941 175.900 0.005 0.000 0.992 746 Y CA -0.906 57.234 58.100 0.068 0.000 1.121 746 Y CB 1.053 39.595 38.460 0.137 0.000 1.184 746 Y HN 0.374 nan 8.280 nan 0.000 0.469 747 V N 2.837 122.413 119.914 -0.564 0.000 2.435 747 V HA 0.429 4.557 4.120 0.014 0.000 0.290 747 V C -0.593 175.119 176.094 -0.636 0.000 1.030 747 V CA -0.914 61.119 62.300 -0.445 0.000 0.881 747 V CB 1.565 33.165 31.823 -0.373 0.000 0.983 747 V HN 0.823 nan 8.190 nan 0.000 0.445 748 D N 3.670 123.906 120.400 -0.273 0.000 2.371 748 D HA 0.557 5.205 4.640 0.014 0.000 0.256 748 D C 0.309 176.606 176.300 -0.006 0.000 1.193 748 D CA 1.012 54.957 54.000 -0.091 0.000 0.881 748 D CB 0.715 41.592 40.800 0.129 0.000 1.143 748 D HN 1.155 nan 8.370 nan 0.000 0.473 749 S N 1.638 117.352 115.700 0.025 0.000 2.703 749 S HA 0.568 5.046 4.470 0.014 0.000 0.273 749 S C -1.389 173.246 174.600 0.058 0.000 1.178 749 S CA -1.013 57.246 58.200 0.099 0.000 0.838 749 S CB 1.288 64.588 63.200 0.168 0.000 1.178 749 S HN 0.494 nan 8.310 nan 0.000 0.494 750 C N 1.812 121.109 119.300 -0.005 0.000 2.608 750 C HA 0.795 5.263 4.460 0.014 0.000 0.325 750 C C 0.516 175.393 174.990 -0.187 0.000 1.147 750 C CA 0.165 59.134 59.018 -0.081 0.000 1.359 750 C CB 1.102 28.764 27.740 -0.130 0.000 1.912 750 C HN 1.124 nan 8.230 nan 0.000 0.466 751 T N 2.351 116.789 114.554 -0.194 0.000 2.940 751 T HA 0.123 4.481 4.350 0.014 0.000 0.309 751 T C 1.276 175.833 174.700 -0.238 0.000 1.056 751 T CA 0.270 62.230 62.100 -0.235 0.000 1.137 751 T CB 0.752 69.508 68.868 -0.187 0.000 0.976 751 T HN 0.562 nan 8.240 nan 0.000 0.547 752 V N 4.492 124.261 119.914 -0.241 0.000 2.332 752 V HA -0.161 3.967 4.120 0.014 0.000 0.248 752 V C 2.942 178.910 176.094 -0.210 0.000 1.055 752 V CA 2.536 64.699 62.300 -0.228 0.000 1.038 752 V CB -1.444 30.266 31.823 -0.188 0.000 0.651 752 V HN 1.079 nan 8.190 nan 0.000 0.450 753 A N -0.941 121.779 122.820 -0.167 0.000 1.933 753 A HA -0.248 4.080 4.320 0.014 0.000 0.218 753 A C 2.139 179.635 177.584 -0.147 0.000 1.175 753 A CA 1.864 53.819 52.037 -0.137 0.000 0.628 753 A CB -0.447 18.491 19.000 -0.103 0.000 0.814 753 A HN 0.646 nan 8.150 nan 0.000 0.444 754 E N -0.433 119.671 120.200 -0.160 0.000 2.077 754 E HA -0.129 4.229 4.350 0.014 0.000 0.193 754 E C 1.976 178.450 176.600 -0.210 0.000 0.989 754 E CA 1.326 57.634 56.400 -0.153 0.000 0.800 754 E CB -0.246 29.368 29.700 -0.142 0.000 0.746 754 E HN 0.399 nan 8.360 nan 0.000 0.452 755 V N 1.460 121.187 119.914 -0.312 0.000 2.407 755 V HA -0.248 3.880 4.120 0.014 0.000 0.248 755 V C 2.239 178.153 176.094 -0.301 0.000 1.055 755 V CA 1.425 63.449 62.300 -0.460 0.000 1.049 755 V CB -0.357 31.058 31.823 -0.679 0.000 0.662 755 V HN 0.282 nan 8.190 nan 0.000 0.455 756 L N -0.308 120.779 121.223 -0.225 0.000 2.131 756 L HA -0.029 4.319 4.340 0.014 0.000 0.206 756 L C 2.638 179.433 176.870 -0.126 0.000 1.087 756 L CA 1.277 56.019 54.840 -0.164 0.000 0.767 756 L CB -0.662 41.311 42.059 -0.142 0.000 0.917 756 L HN 0.353 nan 8.230 nan 0.000 0.441 757 A N 0.079 122.828 122.820 -0.119 0.000 1.929 757 A HA -0.178 4.150 4.320 0.014 0.000 0.216 757 A C 2.382 179.918 177.584 -0.081 0.000 1.176 757 A CA 1.335 53.320 52.037 -0.088 0.000 0.628 757 A CB -0.326 18.626 19.000 -0.079 0.000 0.816 757 A HN 0.312 nan 8.150 nan 0.000 0.444 758 R N -1.025 119.416 120.500 -0.098 0.000 2.189 758 R HA 0.140 4.488 4.340 0.014 0.000 0.203 758 R C -0.384 175.877 176.300 -0.065 0.000 1.012 758 R CA 0.743 56.797 56.100 -0.077 0.000 1.015 758 R CB 0.226 30.477 30.300 -0.082 0.000 0.938 758 R HN 0.376 nan 8.270 nan 0.000 0.472 759 E N -2.096 118.054 120.200 -0.083 0.000 2.278 759 E HA 0.278 4.636 4.350 0.014 0.000 0.272 759 E C 0.181 176.739 176.600 -0.070 0.000 0.890 759 E CA -0.048 56.320 56.400 -0.053 0.000 0.770 759 E CB 1.676 31.363 29.700 -0.021 0.000 1.212 759 E HN 0.159 nan 8.360 nan 0.000 0.415 760 G N 3.696 112.464 108.800 -0.053 0.000 2.556 760 G HA2 -0.292 3.677 3.960 0.014 0.000 0.220 760 G HA3 -0.292 3.677 3.960 0.014 0.000 0.220 760 G C 0.360 175.208 174.900 -0.086 0.000 1.156 760 G CA 1.729 46.792 45.100 -0.063 0.000 0.766 760 G HN 0.615 nan 8.290 nan 0.000 0.583 761 N N -2.212 116.434 118.700 -0.092 0.000 2.732 761 N HA 0.333 5.081 4.740 0.014 0.000 0.259 761 N C 0.718 176.141 175.510 -0.145 0.000 1.402 761 N CA -0.873 52.100 53.050 -0.129 0.000 0.829 761 N CB 0.515 38.920 38.487 -0.137 0.000 1.495 761 N HN -0.057 nan 8.380 nan 0.000 0.511 762 I N -0.090 120.352 120.570 -0.214 0.000 2.194 762 I HA -0.326 3.853 4.170 0.014 0.000 0.246 762 I C 1.820 177.747 176.117 -0.316 0.000 1.093 762 I CA 1.562 62.664 61.300 -0.330 0.000 1.355 762 I CB -0.494 37.240 38.000 -0.444 0.000 1.046 762 I HN 0.575 nan 8.210 nan 0.000 0.413 763 H N 0.608 119.486 119.070 -0.321 0.000 2.387 763 H HA -0.138 4.426 4.556 0.013 0.000 0.299 763 H C 1.993 177.255 175.328 -0.110 0.000 1.090 763 H CA 1.064 56.982 56.048 -0.217 0.000 1.332 763 H CB 0.065 29.736 29.762 -0.151 0.000 1.386 763 H HN 0.412 nan 8.280 nan 0.000 0.516 764 N N 0.629 119.356 118.700 0.046 0.000 2.223 764 N HA -0.148 4.600 4.740 0.014 0.000 0.185 764 N C 1.783 177.316 175.510 0.038 0.000 1.016 764 N CA 0.819 53.890 53.050 0.035 0.000 0.863 764 N CB -0.354 38.143 38.487 0.017 0.000 0.983 764 N HN 0.281 nan 8.380 nan 0.000 0.429 765 F N 1.006 120.855 119.950 -0.168 0.000 2.187 765 F HA 0.016 4.551 4.527 0.013 0.000 0.295 765 F C 1.792 177.594 175.800 0.003 0.000 1.091 765 F CA 0.812 58.718 58.000 -0.156 0.000 1.308 765 F CB -0.395 38.459 39.000 -0.242 0.000 1.030 765 F HN -0.196 nan 8.300 nan 0.000 0.487 766 F N 0.817 120.624 119.950 -0.238 0.000 2.206 766 F HA 0.036 4.571 4.527 0.013 0.000 0.298 766 F C 2.707 178.415 175.800 -0.154 0.000 1.090 766 F CA 1.185 59.019 58.000 -0.276 0.000 1.323 766 F CB -1.296 37.592 39.000 -0.187 0.000 1.028 766 F HN -0.046 nan 8.300 nan 0.000 0.492 767 R N 0.713 121.261 120.500 0.080 0.000 2.115 767 R HA -0.167 4.181 4.340 0.014 0.000 0.230 767 R C 2.276 178.563 176.300 -0.021 0.000 1.111 767 R CA 1.329 57.456 56.100 0.045 0.000 0.976 767 R CB -0.139 30.187 30.300 0.043 0.000 0.870 767 R HN 0.228 nan 8.270 nan 0.000 0.445 768 K N -0.899 119.437 120.400 -0.107 0.000 2.103 768 K HA -0.137 4.191 4.320 0.014 0.000 0.204 768 K C 1.527 177.966 176.600 -0.268 0.000 1.052 768 K CA 1.202 57.368 56.287 -0.202 0.000 0.945 768 K CB 0.054 32.381 32.500 -0.288 0.000 0.722 768 K HN 0.289 nan 8.250 nan 0.000 0.443 769 H N -1.379 117.586 119.070 -0.174 0.000 2.497 769 H HA 0.083 4.647 4.556 0.014 0.000 0.282 769 H C 0.368 175.411 175.328 -0.474 0.000 1.003 769 H CA 0.847 56.705 56.048 -0.316 0.000 1.307 769 H CB 0.546 30.081 29.762 -0.379 0.000 1.437 769 H HN 0.208 nan 8.280 nan 0.000 0.544 770 H N -0.352 118.736 119.070 0.030 0.000 2.825 770 H HA 0.202 4.766 4.556 0.013 0.000 0.226 770 H C -2.569 172.754 175.328 -0.008 0.000 1.414 770 H CA -1.553 54.493 56.048 -0.003 0.000 1.198 770 H CB 1.238 30.972 29.762 -0.045 0.000 2.013 770 H HN 0.245 nan 8.280 nan 0.000 0.530 771 P HA 0.138 nan 4.420 nan 0.000 0.286 771 P C -0.008 177.322 177.300 0.051 0.000 1.269 771 P CA -0.271 62.860 63.100 0.051 0.000 0.787 771 P CB 1.481 33.192 31.700 0.019 0.000 0.920 772 C N 4.663 123.993 119.300 0.049 0.000 2.660 772 C HA 0.208 4.676 4.460 0.014 0.000 0.336 772 C C 1.498 176.509 174.990 0.034 0.000 1.058 772 C CA -0.461 58.580 59.018 0.039 0.000 1.368 772 C CB -0.657 27.106 27.740 0.038 0.000 1.884 772 C HN 0.633 nan 8.230 nan 0.000 0.454 773 D N 3.000 123.415 120.400 0.026 0.000 2.248 773 D HA -0.203 4.445 4.640 0.014 0.000 0.191 773 D C 1.298 177.609 176.300 0.018 0.000 1.013 773 D CA 1.966 55.979 54.000 0.021 0.000 0.883 773 D CB 0.205 41.014 40.800 0.015 0.000 0.915 773 D HN 0.715 nan 8.370 nan 0.000 0.448 774 N N 0.167 118.877 118.700 0.017 0.000 2.092 774 N HA 0.009 4.757 4.740 0.014 0.000 0.189 774 N C 1.186 176.701 175.510 0.008 0.000 1.040 774 N CA 1.303 54.360 53.050 0.011 0.000 0.845 774 N CB -0.101 38.392 38.487 0.012 0.000 1.017 774 N HN 0.238 nan 8.380 nan 0.000 0.426 775 G N -1.107 107.708 108.800 0.025 0.000 2.708 775 G HA2 0.394 4.362 3.960 0.014 0.000 0.289 775 G HA3 0.394 4.362 3.960 0.014 0.000 0.289 775 G C -2.300 172.648 174.900 0.080 0.000 1.416 775 G CA -0.728 44.392 45.100 0.034 0.000 0.829 775 G HN -0.116 nan 8.290 nan 0.000 0.480 776 P HA 0.017 nan 4.420 nan 0.000 0.217 776 P C 0.014 177.276 177.300 -0.063 0.000 1.154 776 P CA 0.980 64.150 63.100 0.116 0.000 0.841 776 P CB 0.375 32.315 31.700 0.399 0.000 0.790 777 Y N -0.080 120.214 120.300 -0.011 0.000 2.801 777 Y HA 0.495 5.053 4.550 0.014 0.000 0.318 777 Y C 1.675 177.568 175.900 -0.012 0.000 1.073 777 Y CA -0.126 57.963 58.100 -0.019 0.000 1.360 777 Y CB -0.483 37.900 38.460 -0.128 0.000 1.220 777 Y HN 0.076 nan 8.280 nan 0.000 0.536 778 G N 0.688 109.543 108.800 0.092 0.000 2.180 778 G HA2 -0.324 3.644 3.960 0.014 0.000 0.263 778 G HA3 -0.324 3.644 3.960 0.014 0.000 0.263 778 G C 0.115 175.060 174.900 0.075 0.000 0.989 778 G CA 0.270 45.412 45.100 0.070 0.000 0.692 778 G HN 0.428 nan 8.290 nan 0.000 0.526 779 I N 1.376 122.000 120.570 0.090 0.000 2.321 779 I HA 0.324 4.502 4.170 0.014 0.000 0.291 779 I C 1.136 177.271 176.117 0.031 0.000 0.998 779 I CA -0.595 60.736 61.300 0.051 0.000 1.227 779 I CB 1.660 39.657 38.000 -0.005 0.000 1.368 779 I HN 0.131 nan 8.210 nan 0.000 0.466 780 S N 4.604 120.317 115.700 0.021 0.000 2.810 780 S HA -0.096 4.382 4.470 0.014 0.000 0.329 780 S C 1.445 176.020 174.600 -0.042 0.000 1.231 780 S CA 0.412 58.605 58.200 -0.010 0.000 1.042 780 S CB 0.551 63.732 63.200 -0.032 0.000 0.756 780 S HN 0.760 nan 8.310 nan 0.000 0.504 781 A N 5.148 127.967 122.820 -0.002 0.000 1.917 781 A HA -0.161 4.167 4.320 0.014 0.000 0.219 781 A C 1.832 179.416 177.584 -0.001 0.000 1.182 781 A CA 2.146 54.203 52.037 0.033 0.000 0.633 781 A CB -0.769 18.260 19.000 0.049 0.000 0.819 781 A HN 0.934 nan 8.150 nan 0.000 0.448 782 E N -0.324 119.844 120.200 -0.055 0.000 2.077 782 E HA -0.094 4.264 4.350 0.014 0.000 0.193 782 E C 1.862 178.383 176.600 -0.132 0.000 0.989 782 E CA 1.218 57.573 56.400 -0.075 0.000 0.800 782 E CB -0.466 29.173 29.700 -0.102 0.000 0.746 782 E HN 0.359 nan 8.360 nan 0.000 0.452 783 V N 0.858 120.629 119.914 -0.240 0.000 2.343 783 V HA -0.262 3.866 4.120 0.014 0.000 0.247 783 V C 2.209 178.098 176.094 -0.341 0.000 1.051 783 V CA 1.445 63.510 62.300 -0.391 0.000 1.036 783 V CB -0.380 31.097 31.823 -0.576 0.000 0.654 783 V HN 0.332 nan 8.190 nan 0.000 0.451 784 M N -0.116 119.343 119.600 -0.235 0.000 2.117 784 M HA -0.170 4.318 4.480 0.014 0.000 0.262 784 M C 2.069 178.375 176.300 0.011 0.000 1.065 784 M CA 2.042 57.242 55.300 -0.167 0.000 1.114 784 M CB -1.224 31.257 32.600 -0.198 0.000 1.361 784 M HN 0.470 nan 8.290 nan 0.000 0.408 785 D N -0.343 120.089 120.400 0.053 0.000 2.144 785 D HA -0.142 4.506 4.640 0.014 0.000 0.200 785 D C 1.897 178.233 176.300 0.060 0.000 0.978 785 D CA 1.989 56.058 54.000 0.114 0.000 0.833 785 D CB 0.164 41.020 40.800 0.093 0.000 0.961 785 D HN 0.415 nan 8.370 nan 0.000 0.470 786 T N -2.238 112.320 114.554 0.006 0.000 2.951 786 T HA -0.198 4.161 4.350 0.014 0.000 0.268 786 T C 2.000 176.725 174.700 0.042 0.000 1.073 786 T CA 0.967 63.071 62.100 0.007 0.000 1.134 786 T CB -0.717 68.135 68.868 -0.026 0.000 0.884 786 T HN 0.363 nan 8.240 nan 0.000 0.479 787 Y N 0.978 121.244 120.300 -0.056 0.000 2.263 787 Y HA 0.172 4.730 4.550 0.013 0.000 0.292 787 Y C 1.886 177.830 175.900 0.073 0.000 1.130 787 Y CA 0.581 58.688 58.100 0.012 0.000 1.179 787 Y CB -0.416 38.041 38.460 -0.004 0.000 0.998 787 Y HN 0.189 nan 8.280 nan 0.000 0.532 788 I N 0.931 121.458 120.570 -0.071 0.000 2.226 788 I HA -0.275 3.904 4.170 0.014 0.000 0.245 788 I C 2.269 178.379 176.117 -0.011 0.000 1.100 788 I CA 1.568 62.836 61.300 -0.055 0.000 1.374 788 I CB -0.361 37.742 38.000 0.172 0.000 1.057 788 I HN 0.151 nan 8.210 nan 0.000 0.413 789 K N -0.209 120.197 120.400 0.011 0.000 2.103 789 K HA -0.045 4.283 4.320 0.014 0.000 0.204 789 K C 2.175 178.798 176.600 0.039 0.000 1.052 789 K CA 1.585 57.889 56.287 0.030 0.000 0.945 789 K CB -0.205 32.310 32.500 0.024 0.000 0.722 789 K HN 0.304 nan 8.250 nan 0.000 0.443 790 S N 1.109 116.828 115.700 0.031 0.000 2.402 790 S HA -0.145 4.333 4.470 0.014 0.000 0.229 790 S C 2.296 177.002 174.600 0.177 0.000 1.021 790 S CA 0.922 59.207 58.200 0.142 0.000 0.974 790 S CB -0.546 62.746 63.200 0.155 0.000 0.800 790 S HN 0.301 nan 8.310 nan 0.000 0.484 791 C N 1.897 121.191 119.300 -0.009 0.000 2.446 791 C HA 0.129 4.597 4.460 0.014 0.000 0.277 791 C C 3.206 178.359 174.990 0.272 0.000 1.275 791 C CA 0.560 59.603 59.018 0.043 0.000 1.727 791 C CB -1.481 26.105 27.740 -0.257 0.000 2.010 791 C HN 0.697 nan 8.230 nan 0.000 0.486 792 A N 0.577 123.555 122.820 0.264 0.000 1.902 792 A HA 0.013 4.341 4.320 0.014 0.000 0.217 792 A C 2.378 179.977 177.584 0.025 0.000 1.181 792 A CA 2.176 54.264 52.037 0.085 0.000 0.623 792 A CB -1.273 17.673 19.000 -0.090 0.000 0.818 792 A HN 0.563 nan 8.150 nan 0.000 0.443 793 G N -1.789 107.033 108.800 0.037 0.000 2.421 793 G HA2 -0.224 3.744 3.960 0.014 0.000 0.216 793 G HA3 -0.224 3.744 3.960 0.014 0.000 0.216 793 G C 1.481 176.296 174.900 -0.141 0.000 1.171 793 G CA 1.233 46.292 45.100 -0.068 0.000 0.775 793 G HN 0.563 nan 8.290 nan 0.000 0.543 794 Y N -0.131 120.171 120.300 0.004 0.000 2.314 794 Y HA -0.024 4.534 4.550 0.013 0.000 0.293 794 Y C 3.050 178.924 175.900 -0.044 0.000 1.129 794 Y CA 0.572 58.636 58.100 -0.061 0.000 1.201 794 Y CB -0.222 38.189 38.460 -0.082 0.000 0.999 794 Y HN 0.224 nan 8.280 nan 0.000 0.541 795 C N -1.324 118.064 119.300 0.147 0.000 2.446 795 C HA -0.098 4.370 4.460 0.014 0.000 0.277 795 C C 2.714 177.740 174.990 0.059 0.000 1.275 795 C CA 0.776 59.867 59.018 0.120 0.000 1.727 795 C CB -0.946 26.870 27.740 0.126 0.000 2.010 795 C HN 0.332 nan 8.230 nan 0.000 0.486 796 V N 0.747 120.663 119.914 0.004 0.000 2.379 796 V HA -0.157 3.971 4.120 0.014 0.000 0.245 796 V C 2.165 178.285 176.094 0.044 0.000 1.044 796 V CA 1.789 64.097 62.300 0.013 0.000 1.036 796 V CB -0.469 31.348 31.823 -0.010 0.000 0.664 796 V HN 0.515 nan 8.190 nan 0.000 0.453 797 I N -0.021 120.522 120.570 -0.045 0.000 2.315 797 I HA -0.202 3.976 4.170 0.014 0.000 0.248 797 I C 2.429 178.514 176.117 -0.054 0.000 1.117 797 I CA 1.609 62.850 61.300 -0.099 0.000 1.404 797 I CB -0.432 37.412 38.000 -0.260 0.000 1.071 797 I HN 0.331 nan 8.210 nan 0.000 0.419 798 T N -0.234 114.319 114.554 -0.002 0.000 2.904 798 T HA -0.195 4.163 4.350 0.014 0.000 0.267 798 T C 1.725 176.487 174.700 0.105 0.000 1.059 798 T CA 0.998 63.135 62.100 0.061 0.000 1.137 798 T CB -0.298 68.631 68.868 0.101 0.000 0.879 798 T HN 0.340 nan 8.240 nan 0.000 0.467 799 Y N 1.823 122.115 120.300 -0.014 0.000 2.263 799 Y HA 0.092 4.650 4.550 0.014 0.000 0.292 799 Y C 1.734 177.628 175.900 -0.009 0.000 1.130 799 Y CA 0.766 58.857 58.100 -0.017 0.000 1.179 799 Y CB -0.534 37.885 38.460 -0.069 0.000 0.998 799 Y HN 0.145 nan 8.280 nan 0.000 0.532 800 L N -0.567 120.536 121.223 -0.199 0.000 2.240 800 L HA -0.083 4.265 4.340 0.014 0.000 0.211 800 L C 1.754 178.477 176.870 -0.245 0.000 1.106 800 L CA 0.631 55.296 54.840 -0.291 0.000 0.793 800 L CB -0.228 41.755 42.059 -0.127 0.000 0.927 800 L HN 0.192 nan 8.230 nan 0.000 0.446 801 L N -0.292 120.846 121.223 -0.141 0.000 2.640 801 L HA 0.259 4.607 4.340 0.014 0.000 0.230 801 L C 1.135 177.987 176.870 -0.030 0.000 1.123 801 L CA 0.092 54.879 54.840 -0.089 0.000 0.900 801 L CB -0.287 41.742 42.059 -0.051 0.000 1.146 801 L HN 0.394 nan 8.230 nan 0.000 0.484 802 G N 1.824 110.596 108.800 -0.047 0.000 2.421 802 G HA2 -0.260 3.708 3.960 0.014 0.000 0.300 802 G HA3 -0.260 3.708 3.960 0.014 0.000 0.300 802 G C 0.327 175.288 174.900 0.102 0.000 0.974 802 G CA 0.169 45.282 45.100 0.022 0.000 1.062 802 G HN 0.155 nan 8.290 nan 0.000 0.514 803 V N -0.191 119.807 119.914 0.140 0.000 2.763 803 V HA 0.540 4.668 4.120 0.014 0.000 0.306 803 V C 1.294 177.510 176.094 0.203 0.000 1.059 803 V CA 0.898 63.332 62.300 0.223 0.000 1.138 803 V CB 1.224 33.245 31.823 0.331 0.000 0.940 803 V HN 0.884 nan 8.190 nan 0.000 0.489 804 G N 1.729 110.656 108.800 0.212 0.000 2.949 804 G HA2 0.563 4.531 3.960 0.014 0.000 0.285 804 G HA3 0.563 4.531 3.960 0.014 0.000 0.285 804 G C -0.169 174.801 174.900 0.117 0.000 1.395 804 G CA 0.228 45.411 45.100 0.138 0.000 0.901 804 G HN 0.888 nan 8.290 nan 0.000 0.519 805 D N -1.709 118.697 120.400 0.010 0.000 3.041 805 D HA -0.157 4.491 4.640 0.014 0.000 0.220 805 D C 0.363 176.607 176.300 -0.093 0.000 1.157 805 D CA 0.659 54.645 54.000 -0.024 0.000 0.876 805 D CB -0.546 40.247 40.800 -0.012 0.000 1.107 805 D HN 0.368 nan 8.370 nan 0.000 0.422 806 R N 1.425 121.885 120.500 -0.066 0.000 2.537 806 R HA 0.433 4.781 4.340 0.014 0.000 0.280 806 R C 0.790 176.982 176.300 -0.180 0.000 1.058 806 R CA 0.509 56.504 56.100 -0.175 0.000 1.057 806 R CB 0.002 30.288 30.300 -0.023 0.000 0.973 806 R HN 0.652 nan 8.270 nan 0.000 0.438 807 H N -0.385 118.625 119.070 -0.100 0.000 2.918 807 H HA 0.179 4.743 4.556 0.013 0.000 0.303 807 H C 0.402 175.641 175.328 -0.148 0.000 1.380 807 H CA -0.957 55.028 56.048 -0.105 0.000 1.134 807 H CB 0.521 30.235 29.762 -0.080 0.000 1.842 807 H HN 0.110 nan 8.280 nan 0.000 0.533 808 L N 0.308 121.572 121.223 0.069 0.000 2.197 808 L HA -0.176 4.172 4.340 0.014 0.000 0.215 808 L C 1.370 178.202 176.870 -0.063 0.000 1.095 808 L CA 1.547 56.361 54.840 -0.044 0.000 0.764 808 L CB -1.136 40.889 42.059 -0.056 0.000 0.897 808 L HN 0.647 nan 8.230 nan 0.000 0.436 809 D N -0.461 119.980 120.400 0.068 0.000 2.234 809 D HA -0.113 4.535 4.640 0.014 0.000 0.205 809 D C 1.796 178.012 176.300 -0.141 0.000 0.962 809 D CA 0.636 54.638 54.000 0.002 0.000 0.855 809 D CB 0.122 41.001 40.800 0.132 0.000 0.951 809 D HN 0.338 nan 8.370 nan 0.000 0.500 810 N N -0.157 118.402 118.700 -0.235 0.000 2.395 810 N HA 0.052 4.800 4.740 0.014 0.000 0.175 810 N C 0.413 175.650 175.510 -0.454 0.000 1.029 810 N CA 0.232 53.048 53.050 -0.391 0.000 0.897 810 N CB 0.606 38.771 38.487 -0.537 0.000 0.991 810 N HN 0.148 nan 8.380 nan 0.000 0.441 811 L N 1.511 122.465 121.223 -0.450 0.000 2.334 811 L HA 0.502 4.850 4.340 0.014 0.000 0.275 811 L C -0.102 176.459 176.870 -0.515 0.000 1.036 811 L CA -0.498 54.008 54.840 -0.556 0.000 0.807 811 L CB 1.400 43.166 42.059 -0.487 0.000 1.231 811 L HN -0.109 nan 8.230 nan 0.000 0.438 812 L N 1.849 122.641 121.223 -0.718 0.000 2.327 812 L HA 0.599 4.947 4.340 0.014 0.000 0.258 812 L C -0.613 175.978 176.870 -0.465 0.000 1.024 812 L CA -0.904 53.554 54.840 -0.637 0.000 0.825 812 L CB 2.240 43.797 42.059 -0.836 0.000 1.386 812 L HN 0.306 nan 8.230 nan 0.000 0.417 813 L N 0.383 121.489 121.223 -0.196 0.000 2.365 813 L HA 0.635 4.983 4.340 0.014 0.000 0.267 813 L C 0.206 177.209 176.870 0.222 0.000 1.033 813 L CA 0.082 54.978 54.840 0.093 0.000 0.802 813 L CB 1.971 44.158 42.059 0.213 0.000 1.267 813 L HN 0.833 nan 8.230 nan 0.000 0.457 814 T N -2.442 112.335 114.554 0.373 0.000 2.888 814 T HA 0.269 4.627 4.350 0.014 0.000 0.288 814 T C 0.982 175.888 174.700 0.343 0.000 1.063 814 T CA 0.233 62.531 62.100 0.330 0.000 1.010 814 T CB 1.551 70.583 68.868 0.273 0.000 1.214 814 T HN 0.781 nan 8.240 nan 0.000 0.533 815 T N 0.455 115.112 114.554 0.172 0.000 2.985 815 T HA -0.004 4.354 4.350 0.014 0.000 0.266 815 T C 1.492 176.240 174.700 0.079 0.000 1.076 815 T CA 0.901 63.003 62.100 0.003 0.000 1.135 815 T CB -0.487 68.198 68.868 -0.304 0.000 0.890 815 T HN 0.553 nan 8.240 nan 0.000 0.480 816 N N 1.750 120.483 118.700 0.056 0.000 2.364 816 N HA 0.116 4.864 4.740 0.014 0.000 0.183 816 N C 1.694 177.089 175.510 -0.191 0.000 1.022 816 N CA 1.354 54.364 53.050 -0.068 0.000 0.883 816 N CB -0.387 38.084 38.487 -0.027 0.000 0.965 816 N HN 0.773 nan 8.380 nan 0.000 0.438 817 G N -0.700 108.059 108.800 -0.069 0.000 2.284 817 G HA2 -0.207 3.761 3.960 0.014 0.000 0.201 817 G HA3 -0.207 3.761 3.960 0.014 0.000 0.201 817 G C -0.073 174.949 174.900 0.204 0.000 0.998 817 G CA -0.349 44.683 45.100 -0.113 0.000 0.651 817 G HN 0.314 nan 8.290 nan 0.000 0.489 818 K N 0.867 121.404 120.400 0.228 0.000 2.154 818 K HA 0.695 5.023 4.320 0.014 0.000 0.264 818 K C 0.347 177.151 176.600 0.340 0.000 1.008 818 K CA -0.478 55.962 56.287 0.255 0.000 0.937 818 K CB 1.968 34.615 32.500 0.245 0.000 1.002 818 K HN 0.395 nan 8.250 nan 0.000 0.469 819 L N 2.012 123.402 121.223 0.279 0.000 2.375 819 L HA 0.649 4.997 4.340 0.014 0.000 0.268 819 L C -1.008 175.946 176.870 0.140 0.000 1.058 819 L CA -0.637 54.296 54.840 0.155 0.000 0.803 819 L CB 0.641 42.770 42.059 0.116 0.000 1.212 819 L HN 0.714 nan 8.230 nan 0.000 0.451 820 F N -1.139 118.721 119.950 -0.151 0.000 2.706 820 F HA 0.592 5.127 4.527 0.014 0.000 0.328 820 F C -0.306 175.322 175.800 -0.287 0.000 1.123 820 F CA -1.135 56.608 58.000 -0.427 0.000 0.978 820 F CB 0.923 39.871 39.000 -0.086 0.000 1.404 820 F HN 0.458 nan 8.300 nan 0.000 0.497 821 H N 0.092 118.974 119.070 -0.314 0.000 2.530 821 H HA 0.759 5.323 4.556 0.013 0.000 0.342 821 H C -0.853 174.511 175.328 0.060 0.000 1.312 821 H CA -0.769 55.223 56.048 -0.093 0.000 1.376 821 H CB 2.329 32.161 29.762 0.117 0.000 1.692 821 H HN 0.420 nan 8.280 nan 0.000 0.622 822 I N -0.135 120.284 120.570 -0.251 0.000 3.066 822 I HA -0.015 4.163 4.170 0.014 0.000 0.307 822 I C -1.141 174.539 176.117 -0.728 0.000 1.366 822 I CA -0.532 60.567 61.300 -0.333 0.000 0.972 822 I CB 2.280 40.157 38.000 -0.206 0.000 1.307 822 I HN 0.802 nan 8.210 nan 0.000 0.470 823 D N 3.353 123.457 120.400 -0.493 0.000 2.956 823 D HA -0.247 4.401 4.640 0.014 0.000 0.240 823 D C -1.194 174.907 176.300 -0.332 0.000 1.141 823 D CA 0.707 54.529 54.000 -0.295 0.000 0.820 823 D CB -1.094 39.583 40.800 -0.205 0.000 0.988 823 D HN 0.309 nan 8.370 nan 0.000 0.417 824 F N 0.364 120.377 119.950 0.104 0.000 2.605 824 F HA 0.471 5.006 4.527 0.013 0.000 0.352 824 F C 1.945 177.774 175.800 0.049 0.000 1.236 824 F CA -0.177 57.884 58.000 0.101 0.000 1.267 824 F CB 0.523 39.592 39.000 0.114 0.000 1.632 824 F HN 0.235 nan 8.300 nan 0.000 0.639 825 G N 0.380 109.245 108.800 0.108 0.000 2.453 825 G HA2 -0.114 3.854 3.960 0.014 0.000 0.215 825 G HA3 -0.114 3.854 3.960 0.014 0.000 0.215 825 G C -0.095 174.690 174.900 -0.192 0.000 1.147 825 G CA 0.289 45.348 45.100 -0.069 0.000 0.802 825 G HN 0.367 nan 8.290 nan 0.000 0.535 826 Y N -0.215 120.154 120.300 0.115 0.000 2.334 826 Y HA 0.623 5.182 4.550 0.014 0.000 0.336 826 Y C -0.488 175.490 175.900 0.131 0.000 0.960 826 Y CA -1.069 57.095 58.100 0.107 0.000 1.164 826 Y CB 1.631 40.141 38.460 0.084 0.000 1.155 826 Y HN -0.142 nan 8.280 nan 0.000 0.478 827 I N 3.416 124.128 120.570 0.237 0.000 2.689 827 I HA 0.396 4.574 4.170 0.014 0.000 0.299 827 I C -0.504 175.702 176.117 0.148 0.000 1.059 827 I CA -1.351 60.056 61.300 0.180 0.000 1.055 827 I CB 1.861 39.945 38.000 0.141 0.000 1.243 827 I HN 0.527 nan 8.210 nan 0.000 0.425 828 L N 6.520 127.809 121.223 0.110 0.000 3.550 828 L HA -0.225 4.123 4.340 0.014 0.000 0.523 828 L C 1.044 177.960 176.870 0.078 0.000 1.312 828 L CA 0.558 55.440 54.840 0.069 0.000 0.864 828 L CB -2.281 39.821 42.059 0.072 0.000 1.592 828 L HN 1.117 nan 8.230 nan 0.000 0.859 829 G N -0.262 108.590 108.800 0.086 0.000 2.180 829 G HA2 -0.321 3.648 3.960 0.014 0.000 0.263 829 G HA3 -0.321 3.648 3.960 0.014 0.000 0.263 829 G C 0.506 175.463 174.900 0.094 0.000 0.989 829 G CA 0.580 45.731 45.100 0.084 0.000 0.692 829 G HN 0.489 nan 8.290 nan 0.000 0.526 830 R N 0.590 121.174 120.500 0.139 0.000 2.265 830 R HA 0.539 4.887 4.340 0.014 0.000 0.314 830 R C -0.840 175.512 176.300 0.087 0.000 1.053 830 R CA -0.323 55.873 56.100 0.159 0.000 0.931 830 R CB 1.035 31.498 30.300 0.271 0.000 1.024 830 R HN 0.333 nan 8.270 nan 0.000 0.457 831 D N 1.797 122.163 120.400 -0.057 0.000 2.732 831 D HA 0.339 4.987 4.640 0.014 0.000 0.229 831 D C -1.753 174.371 176.300 -0.294 0.000 1.152 831 D CA -1.667 52.182 54.000 -0.251 0.000 0.854 831 D CB 2.446 43.179 40.800 -0.111 0.000 1.590 831 D HN 0.120 nan 8.370 nan 0.000 0.468 832 P HA 0.008 nan 4.420 nan 0.000 0.222 832 P C -0.192 177.039 177.300 -0.115 0.000 1.153 832 P CA 0.574 63.526 63.100 -0.248 0.000 0.798 832 P CB 0.301 31.847 31.700 -0.257 0.000 0.796 833 K N 0.534 120.872 120.400 -0.104 0.000 2.202 833 K HA 0.098 4.426 4.320 0.014 0.000 0.264 833 K C -1.350 175.230 176.600 -0.034 0.000 1.010 833 K CA -1.321 54.935 56.287 -0.052 0.000 0.940 833 K CB 0.175 32.652 32.500 -0.039 0.000 0.983 833 K HN -0.009 nan 8.250 nan 0.000 0.475 834 P HA -0.074 nan 4.420 nan 0.000 0.219 834 P C 0.140 177.441 177.300 0.002 0.000 1.150 834 P CA 1.275 64.373 63.100 -0.004 0.000 0.814 834 P CB 0.495 32.195 31.700 0.000 0.000 0.787 835 M N -0.027 119.574 119.600 0.001 0.000 2.031 835 M HA 0.369 4.857 4.480 0.014 0.000 0.273 835 M C -2.665 173.641 176.300 0.010 0.000 0.904 835 M CA -1.812 53.493 55.300 0.009 0.000 0.963 835 M CB 2.393 35.000 32.600 0.011 0.000 1.707 835 M HN -0.253 nan 8.290 nan 0.000 0.427 836 P HA 0.338 nan 4.420 nan 0.000 0.272 836 P C -2.561 174.756 177.300 0.028 0.000 1.230 836 P CA -0.748 62.366 63.100 0.023 0.000 0.788 836 P CB -0.156 31.566 31.700 0.036 0.000 0.949 837 P HA 0.150 nan 4.420 nan 0.000 0.274 837 P C -1.941 175.379 177.300 0.034 0.000 1.231 837 P CA -1.096 62.017 63.100 0.022 0.000 0.790 837 P CB -0.302 31.410 31.700 0.020 0.000 0.951 838 P HA -0.013 nan 4.420 nan 0.000 0.217 838 P C 0.250 177.549 177.300 -0.002 0.000 1.151 838 P CA 1.442 64.551 63.100 0.015 0.000 0.828 838 P CB 0.207 31.867 31.700 -0.067 0.000 0.788 839 M N -0.628 118.955 119.600 -0.029 0.000 2.528 839 M HA 0.291 4.779 4.480 0.014 0.000 0.321 839 M C -0.644 175.686 176.300 0.049 0.000 1.153 839 M CA -0.385 54.913 55.300 -0.004 0.000 0.951 839 M CB 1.989 34.558 32.600 -0.052 0.000 1.705 839 M HN -0.428 nan 8.290 nan 0.000 0.451 840 K N 5.231 125.686 120.400 0.092 0.000 2.357 840 K HA 0.530 4.858 4.320 0.014 0.000 0.251 840 K C -1.437 175.222 176.600 0.098 0.000 1.069 840 K CA -0.066 56.281 56.287 0.101 0.000 0.994 840 K CB 0.259 32.845 32.500 0.144 0.000 1.411 840 K HN 0.658 nan 8.250 nan 0.000 0.450 841 L N 0.117 121.377 121.223 0.061 0.000 2.333 841 L HA 0.451 4.799 4.340 0.014 0.000 0.263 841 L C -0.089 176.789 176.870 0.014 0.000 1.014 841 L CA -0.815 54.049 54.840 0.039 0.000 0.820 841 L CB 2.244 44.325 42.059 0.037 0.000 1.352 841 L HN 0.312 nan 8.230 nan 0.000 0.421 842 S N -0.319 115.378 115.700 -0.005 0.000 2.532 842 S HA 0.263 4.741 4.470 0.014 0.000 0.301 842 S C 0.610 175.194 174.600 -0.027 0.000 1.083 842 S CA -0.646 57.543 58.200 -0.019 0.000 1.025 842 S CB 1.782 64.963 63.200 -0.032 0.000 1.056 842 S HN 0.668 nan 8.310 nan 0.000 0.494 843 K N 1.998 122.379 120.400 -0.033 0.000 2.089 843 K HA -0.194 4.134 4.320 0.014 0.000 0.210 843 K C 1.117 177.683 176.600 -0.058 0.000 1.048 843 K CA 2.182 58.444 56.287 -0.042 0.000 0.926 843 K CB -0.146 32.328 32.500 -0.044 0.000 0.714 843 K HN 0.615 nan 8.250 nan 0.000 0.448 844 E N 0.154 120.315 120.200 -0.066 0.000 2.110 844 E HA -0.136 4.222 4.350 0.014 0.000 0.193 844 E C 1.915 178.462 176.600 -0.089 0.000 0.988 844 E CA 1.547 57.893 56.400 -0.091 0.000 0.804 844 E CB -0.019 29.625 29.700 -0.094 0.000 0.745 844 E HN 0.363 nan 8.360 nan 0.000 0.458 845 M N -0.727 118.845 119.600 -0.046 0.000 2.334 845 M HA -0.047 4.441 4.480 0.014 0.000 0.266 845 M C 1.844 178.153 176.300 0.014 0.000 1.082 845 M CA 0.595 55.905 55.300 0.016 0.000 1.141 845 M CB 0.386 33.003 32.600 0.028 0.000 1.380 845 M HN -0.007 nan 8.290 nan 0.000 0.440 846 V N 0.227 120.126 119.914 -0.024 0.000 2.591 846 V HA -0.171 3.957 4.120 0.014 0.000 0.249 846 V C 1.806 177.891 176.094 -0.015 0.000 1.053 846 V CA 1.566 63.860 62.300 -0.010 0.000 1.068 846 V CB -0.481 31.343 31.823 0.001 0.000 0.689 846 V HN 0.449 nan 8.190 nan 0.000 0.462 847 E N 0.478 120.635 120.200 -0.073 0.000 2.204 847 E HA -0.139 4.219 4.350 0.014 0.000 0.194 847 E C 2.287 178.731 176.600 -0.259 0.000 0.989 847 E CA 1.065 57.378 56.400 -0.144 0.000 0.824 847 E CB -0.259 29.340 29.700 -0.168 0.000 0.756 847 E HN 0.599 nan 8.360 nan 0.000 0.477 848 A N 0.844 123.549 122.820 -0.191 0.000 1.978 848 A HA -0.172 4.157 4.320 0.014 0.000 0.220 848 A C 2.044 179.679 177.584 0.084 0.000 1.170 848 A CA 1.321 53.266 52.037 -0.153 0.000 0.636 848 A CB -0.324 18.571 19.000 -0.175 0.000 0.810 848 A HN 0.161 nan 8.150 nan 0.000 0.448 849 M N -2.054 117.603 119.600 0.095 0.000 2.514 849 M HA 0.200 4.689 4.480 0.014 0.000 0.258 849 M C 1.275 177.697 176.300 0.203 0.000 1.119 849 M CA 0.911 56.317 55.300 0.176 0.000 1.111 849 M CB 0.462 33.180 32.600 0.196 0.000 1.390 849 M HN 0.613 nan 8.290 nan 0.000 0.475 850 G N 0.587 109.452 108.800 0.108 0.000 2.138 850 G HA2 0.041 4.009 3.960 0.014 0.000 0.193 850 G HA3 0.041 4.009 3.960 0.014 0.000 0.193 850 G C 0.426 175.401 174.900 0.124 0.000 0.998 850 G CA -0.207 44.998 45.100 0.176 0.000 0.668 850 G HN 0.902 nan 8.290 nan 0.000 0.516 851 G N -1.169 107.666 108.800 0.057 0.000 2.725 851 G HA2 0.054 4.022 3.960 0.014 0.000 0.220 851 G HA3 0.054 4.022 3.960 0.014 0.000 0.220 851 G C 0.709 175.567 174.900 -0.070 0.000 1.357 851 G CA 0.051 45.147 45.100 -0.007 0.000 0.866 851 G HN 1.016 nan 8.290 nan 0.000 0.548 852 I N 1.598 122.079 120.570 -0.149 0.000 2.113 852 I HA 0.035 4.213 4.170 0.014 0.000 0.238 852 I C 2.468 178.518 176.117 -0.112 0.000 1.070 852 I CA 2.285 63.408 61.300 -0.294 0.000 1.332 852 I CB -0.880 37.012 38.000 -0.179 0.000 1.044 852 I HN 0.986 nan 8.210 nan 0.000 0.402 853 S N 0.952 116.660 115.700 0.014 0.000 2.400 853 S HA 0.513 4.991 4.470 0.014 0.000 0.295 853 S C -0.018 174.666 174.600 0.140 0.000 1.113 853 S CA -0.513 57.743 58.200 0.093 0.000 1.064 853 S CB 0.346 63.587 63.200 0.067 0.000 0.990 853 S HN 0.148 nan 8.310 nan 0.000 0.502 854 S N 2.586 118.424 115.700 0.231 0.000 2.548 854 S HA 0.346 4.824 4.470 0.014 0.000 0.286 854 S C 0.714 175.471 174.600 0.262 0.000 1.098 854 S CA -0.888 57.480 58.200 0.281 0.000 0.930 854 S CB 1.772 65.209 63.200 0.395 0.000 1.070 854 S HN 0.842 nan 8.310 nan 0.000 0.480 855 E N 0.653 120.962 120.200 0.181 0.000 2.171 855 E HA -0.241 4.117 4.350 0.014 0.000 0.197 855 E C 1.009 177.692 176.600 0.138 0.000 0.997 855 E CA 1.303 57.759 56.400 0.094 0.000 0.810 855 E CB -0.022 29.666 29.700 -0.019 0.000 0.738 855 E HN 0.577 nan 8.360 nan 0.000 0.467 856 H N -1.622 117.606 119.070 0.263 0.000 2.395 856 H HA -0.087 4.477 4.556 0.014 0.000 0.299 856 H C 2.016 177.513 175.328 0.282 0.000 1.070 856 H CA 1.636 57.840 56.048 0.261 0.000 1.356 856 H CB -0.076 29.853 29.762 0.279 0.000 1.401 856 H HN 0.386 nan 8.280 nan 0.000 0.524 857 H N -0.439 118.834 119.070 0.337 0.000 2.436 857 H HA -0.085 4.479 4.556 0.014 0.000 0.294 857 H C 2.426 177.942 175.328 0.314 0.000 1.048 857 H CA 1.311 57.538 56.048 0.298 0.000 1.353 857 H CB -0.004 29.896 29.762 0.230 0.000 1.414 857 H HN 0.291 nan 8.280 nan 0.000 0.536 858 H N 0.278 119.526 119.070 0.297 0.000 2.389 858 H HA -0.094 4.470 4.556 0.014 0.000 0.299 858 H C 1.810 177.192 175.328 0.091 0.000 1.081 858 H CA 1.399 57.571 56.048 0.207 0.000 1.345 858 H CB 0.260 30.131 29.762 0.183 0.000 1.393 858 H HN 0.387 nan 8.280 nan 0.000 0.520 859 E N 0.624 120.922 120.200 0.163 0.000 2.085 859 E HA -0.172 4.187 4.350 0.014 0.000 0.194 859 E C 2.165 178.767 176.600 0.002 0.000 0.994 859 E CA 0.833 57.287 56.400 0.091 0.000 0.801 859 E CB -0.639 29.144 29.700 0.138 0.000 0.743 859 E HN 0.501 nan 8.360 nan 0.000 0.453 860 F N 1.217 121.080 119.950 -0.144 0.000 2.146 860 F HA -0.076 4.459 4.527 0.013 0.000 0.298 860 F C 2.280 177.863 175.800 -0.363 0.000 1.096 860 F CA 1.348 59.212 58.000 -0.227 0.000 1.275 860 F CB -0.108 38.738 39.000 -0.255 0.000 1.008 860 F HN -0.122 nan 8.300 nan 0.000 0.480 861 R N 0.645 120.711 120.500 -0.722 0.000 2.073 861 R HA -0.129 4.220 4.340 0.014 0.000 0.229 861 R C 2.398 178.032 176.300 -1.111 0.000 1.120 861 R CA 1.493 56.947 56.100 -1.077 0.000 0.967 861 R CB -0.484 29.458 30.300 -0.598 0.000 0.862 861 R HN 0.352 nan 8.270 nan 0.000 0.436 862 K N 1.037 121.114 120.400 -0.538 0.000 2.063 862 K HA -0.282 4.046 4.320 0.014 0.000 0.208 862 K C 2.088 178.564 176.600 -0.207 0.000 1.048 862 K CA 1.885 58.057 56.287 -0.192 0.000 0.928 862 K CB -0.010 32.405 32.500 -0.143 0.000 0.713 862 K HN -0.014 nan 8.250 nan 0.000 0.442 863 Q N 0.442 120.065 119.800 -0.295 0.000 2.119 863 Q HA -0.068 4.281 4.340 0.014 0.000 0.201 863 Q C 2.016 177.853 176.000 -0.272 0.000 0.972 863 Q CA 1.953 57.631 55.803 -0.209 0.000 0.847 863 Q CB -0.157 28.484 28.738 -0.163 0.000 0.903 863 Q HN 0.495 nan 8.270 nan 0.000 0.433 864 C N -0.399 118.573 119.300 -0.547 0.000 2.440 864 C HA -0.094 4.374 4.460 0.014 0.000 0.278 864 C C 2.128 176.972 174.990 -0.243 0.000 1.295 864 C CA 0.338 59.062 59.018 -0.491 0.000 1.738 864 C CB -1.135 26.125 27.740 -0.800 0.000 1.987 864 C HN 0.533 nan 8.230 nan 0.000 0.492 865 Y N 1.626 121.859 120.300 -0.111 0.000 2.220 865 Y HA -0.133 4.425 4.550 0.014 0.000 0.291 865 Y C 2.958 178.904 175.900 0.077 0.000 1.129 865 Y CA 1.696 59.797 58.100 0.003 0.000 1.161 865 Y CB -1.598 36.843 38.460 -0.031 0.000 0.997 865 Y HN 0.451 nan 8.280 nan 0.000 0.522 866 T N -1.970 112.700 114.554 0.194 0.000 2.867 866 T HA -0.088 4.270 4.350 0.014 0.000 0.268 866 T C 2.077 176.945 174.700 0.280 0.000 1.057 866 T CA 1.088 63.320 62.100 0.220 0.000 1.136 866 T CB -0.520 68.452 68.868 0.173 0.000 0.874 866 T HN 0.244 nan 8.240 nan 0.000 0.466 867 A N -0.105 122.809 122.820 0.156 0.000 1.968 867 A HA 0.116 4.444 4.320 0.014 0.000 0.217 867 A C 2.155 179.870 177.584 0.219 0.000 1.169 867 A CA 1.150 53.261 52.037 0.123 0.000 0.638 867 A CB -1.022 17.989 19.000 0.020 0.000 0.812 867 A HN 0.602 nan 8.150 nan 0.000 0.446 868 Y N 0.531 120.876 120.300 0.075 0.000 2.263 868 Y HA 0.013 4.571 4.550 0.013 0.000 0.292 868 Y C 1.843 177.791 175.900 0.079 0.000 1.130 868 Y CA 1.051 59.199 58.100 0.080 0.000 1.179 868 Y CB -0.356 38.165 38.460 0.102 0.000 0.998 868 Y HN 0.199 nan 8.280 nan 0.000 0.532 869 L N -1.017 120.257 121.223 0.085 0.000 2.093 869 L HA -0.226 4.123 4.340 0.014 0.000 0.208 869 L C 2.483 179.290 176.870 -0.105 0.000 1.085 869 L CA 1.260 56.038 54.840 -0.103 0.000 0.755 869 L CB -0.719 41.302 42.059 -0.063 0.000 0.904 869 L HN 0.281 nan 8.230 nan 0.000 0.435 870 H N -0.195 118.879 119.070 0.006 0.000 2.423 870 H HA -0.051 4.513 4.556 0.014 0.000 0.297 870 H C 2.311 177.686 175.328 0.079 0.000 1.075 870 H CA 1.231 57.307 56.048 0.046 0.000 1.342 870 H CB 0.351 30.147 29.762 0.058 0.000 1.395 870 H HN 0.329 nan 8.280 nan 0.000 0.530 871 L N -0.116 121.195 121.223 0.147 0.000 2.209 871 L HA -0.051 4.297 4.340 0.014 0.000 0.207 871 L C 2.625 179.506 176.870 0.019 0.000 1.094 871 L CA 0.447 55.352 54.840 0.109 0.000 0.790 871 L CB -0.067 42.050 42.059 0.096 0.000 0.932 871 L HN 0.061 nan 8.230 nan 0.000 0.447 872 R N -0.233 120.201 120.500 -0.111 0.000 2.120 872 R HA -0.121 4.227 4.340 0.014 0.000 0.234 872 R C 2.318 178.520 176.300 -0.162 0.000 1.123 872 R CA 1.134 57.108 56.100 -0.209 0.000 0.975 872 R CB -0.113 29.969 30.300 -0.364 0.000 0.866 872 R HN 0.280 nan 8.270 nan 0.000 0.446 873 R N -0.860 119.560 120.500 -0.134 0.000 2.148 873 R HA -0.044 4.304 4.340 0.014 0.000 0.223 873 R C 1.088 177.248 176.300 -0.233 0.000 1.088 873 R CA 0.840 56.822 56.100 -0.197 0.000 0.985 873 R CB 0.046 30.206 30.300 -0.235 0.000 0.880 873 R HN 0.363 nan 8.270 nan 0.000 0.451 874 H N -0.715 118.329 119.070 -0.044 0.000 2.505 874 H HA 0.260 4.824 4.556 0.014 0.000 0.289 874 H C 1.412 176.724 175.328 -0.027 0.000 1.052 874 H CA 0.272 56.309 56.048 -0.019 0.000 1.156 874 H CB 0.686 30.449 29.762 0.002 0.000 1.507 874 H HN 0.217 nan 8.280 nan 0.000 0.548 875 A N 1.714 124.543 122.820 0.015 0.000 1.884 875 A HA -0.279 4.050 4.320 0.014 0.000 0.219 875 A C 2.209 179.790 177.584 -0.004 0.000 1.197 875 A CA 1.705 53.731 52.037 -0.018 0.000 0.637 875 A CB -0.344 18.608 19.000 -0.078 0.000 0.827 875 A HN 0.435 nan 8.150 nan 0.000 0.450 876 N N 0.110 118.801 118.700 -0.015 0.000 2.111 876 N HA -0.203 4.545 4.740 0.014 0.000 0.197 876 N C 1.675 177.191 175.510 0.009 0.000 1.011 876 N CA 2.030 55.073 53.050 -0.012 0.000 0.880 876 N CB -0.814 37.664 38.487 -0.016 0.000 1.031 876 N HN 0.370 nan 8.380 nan 0.000 0.444 877 V N 1.222 121.162 119.914 0.044 0.000 2.379 877 V HA -0.116 4.012 4.120 0.014 0.000 0.245 877 V C 2.342 178.486 176.094 0.084 0.000 1.044 877 V CA 1.342 63.678 62.300 0.061 0.000 1.036 877 V CB -0.423 31.466 31.823 0.111 0.000 0.664 877 V HN 0.221 nan 8.190 nan 0.000 0.453 878 M N -0.765 118.887 119.600 0.088 0.000 2.349 878 M HA -0.005 4.483 4.480 0.014 0.000 0.266 878 M C 2.019 178.422 176.300 0.171 0.000 1.076 878 M CA 1.558 56.937 55.300 0.132 0.000 1.126 878 M CB -0.231 32.404 32.600 0.058 0.000 1.392 878 M HN 0.244 nan 8.290 nan 0.000 0.440 879 L N -0.326 120.942 121.223 0.074 0.000 2.131 879 L HA -0.116 4.232 4.340 0.014 0.000 0.206 879 L C 1.962 178.894 176.870 0.103 0.000 1.087 879 L CA 0.668 55.545 54.840 0.062 0.000 0.767 879 L CB -0.711 41.348 42.059 0.001 0.000 0.917 879 L HN 0.320 nan 8.230 nan 0.000 0.441 880 N N 0.434 119.165 118.700 0.051 0.000 2.188 880 N HA -0.105 4.643 4.740 0.014 0.000 0.184 880 N C 1.969 177.497 175.510 0.030 0.000 1.018 880 N CA 1.060 54.110 53.050 -0.001 0.000 0.858 880 N CB -0.262 38.187 38.487 -0.063 0.000 0.989 880 N HN 0.259 nan 8.380 nan 0.000 0.426 881 L N -0.656 120.614 121.223 0.078 0.000 2.127 881 L HA -0.116 4.233 4.340 0.014 0.000 0.211 881 L C 1.801 178.662 176.870 -0.014 0.000 1.089 881 L CA 1.070 55.937 54.840 0.045 0.000 0.757 881 L CB -0.367 41.743 42.059 0.084 0.000 0.899 881 L HN 0.072 nan 8.230 nan 0.000 0.434 882 F N -1.039 118.904 119.950 -0.011 0.000 2.335 882 F HA -0.094 4.442 4.527 0.014 0.000 0.296 882 F C 2.707 178.505 175.800 -0.002 0.000 1.091 882 F CA 0.797 58.793 58.000 -0.006 0.000 1.399 882 F CB -0.174 38.818 39.000 -0.013 0.000 1.067 882 F HN -0.100 nan 8.300 nan 0.000 0.520 883 S N 0.124 115.907 115.700 0.139 0.000 2.440 883 S HA -0.116 4.363 4.470 0.014 0.000 0.238 883 S C 1.886 176.511 174.600 0.041 0.000 1.010 883 S CA 0.935 59.165 58.200 0.051 0.000 0.972 883 S CB -0.285 62.905 63.200 -0.017 0.000 0.774 883 S HN 0.284 nan 8.310 nan 0.000 0.501 884 L N 0.133 121.383 121.223 0.044 0.000 2.554 884 L HA 0.241 4.589 4.340 0.014 0.000 0.225 884 L C 1.070 177.989 176.870 0.081 0.000 1.104 884 L CA 0.256 55.154 54.840 0.096 0.000 0.866 884 L CB 0.055 42.140 42.059 0.044 0.000 1.047 884 L HN 0.289 nan 8.230 nan 0.000 0.468 885 M N -0.838 118.760 119.600 -0.003 0.000 2.493 885 M HA 0.071 4.560 4.480 0.014 0.000 0.244 885 M C 1.782 178.098 176.300 0.027 0.000 1.182 885 M CA 0.270 55.543 55.300 -0.044 0.000 0.981 885 M CB -0.294 32.183 32.600 -0.205 0.000 1.551 885 M HN -0.020 nan 8.290 nan 0.000 0.476 886 V N 0.527 120.497 119.914 0.093 0.000 2.332 886 V HA -0.224 3.904 4.120 0.014 0.000 0.248 886 V C 0.901 177.051 176.094 0.093 0.000 1.055 886 V CA 1.651 64.012 62.300 0.101 0.000 1.038 886 V CB -0.536 31.358 31.823 0.118 0.000 0.651 886 V HN 0.410 nan 8.190 nan 0.000 0.450 887 D N -0.112 120.354 120.400 0.110 0.000 2.895 887 D HA 0.441 5.089 4.640 0.014 0.000 0.258 887 D C 1.443 177.765 176.300 0.036 0.000 1.311 887 D CA 0.672 54.718 54.000 0.077 0.000 0.843 887 D CB 0.835 41.689 40.800 0.091 0.000 1.055 887 D HN 0.402 nan 8.370 nan 0.000 0.486 888 A N 0.815 123.649 122.820 0.023 0.000 1.968 888 A HA -0.060 4.269 4.320 0.014 0.000 0.217 888 A C 1.624 179.204 177.584 -0.006 0.000 1.169 888 A CA 1.723 53.757 52.037 -0.005 0.000 0.638 888 A CB -0.390 18.593 19.000 -0.029 0.000 0.812 888 A HN 0.386 nan 8.150 nan 0.000 0.446 889 T N -4.128 110.429 114.554 0.006 0.000 4.886 889 T HA -0.154 4.204 4.350 0.014 0.000 0.295 889 T C -0.078 174.621 174.700 -0.002 0.000 1.495 889 T CA 0.491 62.593 62.100 0.004 0.000 2.670 889 T CB -2.807 66.061 68.868 -0.001 0.000 1.686 889 T HN 0.753 nan 8.240 nan 0.000 0.981 890 V N 3.172 123.085 119.914 -0.002 0.000 2.432 890 V HA 0.346 4.474 4.120 0.014 0.000 0.271 890 V C -0.199 175.900 176.094 0.009 0.000 1.046 890 V CA -1.247 61.053 62.300 -0.000 0.000 0.945 890 V CB 1.375 33.195 31.823 -0.005 0.000 0.992 890 V HN 0.264 nan 8.190 nan 0.000 0.471 891 P HA -0.196 nan 4.420 nan 0.000 0.216 891 P C 0.982 178.291 177.300 0.016 0.000 1.157 891 P CA 1.468 64.569 63.100 0.002 0.000 0.880 891 P CB 0.354 32.040 31.700 -0.023 0.000 0.791 892 D N -0.730 119.683 120.400 0.022 0.000 2.224 892 D HA -0.017 4.631 4.640 0.014 0.000 0.205 892 D C 2.111 178.449 176.300 0.063 0.000 0.965 892 D CA 0.734 54.763 54.000 0.049 0.000 0.852 892 D CB -0.054 40.786 40.800 0.066 0.000 0.947 892 D HN 0.269 nan 8.370 nan 0.000 0.494 893 I N 1.002 121.607 120.570 0.057 0.000 2.584 893 I HA -0.110 4.068 4.170 0.014 0.000 0.255 893 I C 2.420 178.570 176.117 0.055 0.000 1.145 893 I CA 0.274 61.614 61.300 0.067 0.000 1.462 893 I CB 0.024 38.059 38.000 0.059 0.000 1.102 893 I HN -0.129 nan 8.210 nan 0.000 0.433 894 A N 0.503 123.349 122.820 0.043 0.000 2.066 894 A HA -0.098 4.230 4.320 0.014 0.000 0.218 894 A C 2.036 179.644 177.584 0.039 0.000 1.157 894 A CA 0.996 53.056 52.037 0.038 0.000 0.670 894 A CB -0.344 18.674 19.000 0.031 0.000 0.804 894 A HN 0.261 nan 8.150 nan 0.000 0.453 895 L N -0.889 120.359 121.223 0.043 0.000 2.056 895 L HA 0.052 4.400 4.340 0.014 0.000 0.207 895 L C 0.594 177.488 176.870 0.041 0.000 1.078 895 L CA 1.411 56.277 54.840 0.043 0.000 0.749 895 L CB -0.231 41.858 42.059 0.050 0.000 0.901 895 L HN 0.261 nan 8.230 nan 0.000 0.433 896 E N -2.129 118.097 120.200 0.044 0.000 2.528 896 E HA 0.234 4.592 4.350 0.014 0.000 0.277 896 E C -2.035 174.592 176.600 0.046 0.000 0.980 896 E CA -2.051 54.372 56.400 0.040 0.000 0.796 896 E CB 1.385 31.106 29.700 0.035 0.000 1.427 896 E HN -0.089 nan 8.360 nan 0.000 0.394 897 P HA -0.079 nan 4.420 nan 0.000 0.218 897 P C 0.626 177.957 177.300 0.052 0.000 1.149 897 P CA 0.867 64.000 63.100 0.055 0.000 0.817 897 P CB 0.529 32.260 31.700 0.052 0.000 0.785 898 D N 0.092 120.515 120.400 0.038 0.000 2.117 898 D HA -0.135 4.513 4.640 0.014 0.000 0.197 898 D C 1.431 177.748 176.300 0.028 0.000 0.987 898 D CA 1.256 55.273 54.000 0.028 0.000 0.829 898 D CB -0.368 40.442 40.800 0.017 0.000 0.961 898 D HN 0.303 nan 8.370 nan 0.000 0.460 899 K N 0.654 121.072 120.400 0.030 0.000 2.444 899 K HA 0.222 4.550 4.320 0.014 0.000 0.193 899 K C 1.908 178.528 176.600 0.034 0.000 1.024 899 K CA 0.258 56.560 56.287 0.025 0.000 1.077 899 K CB 0.338 32.851 32.500 0.021 0.000 0.833 899 K HN -0.019 nan 8.250 nan 0.000 0.517 900 A N 1.080 123.936 122.820 0.060 0.000 1.917 900 A HA -0.167 4.162 4.320 0.014 0.000 0.219 900 A C 2.225 179.859 177.584 0.083 0.000 1.182 900 A CA 1.804 53.901 52.037 0.099 0.000 0.633 900 A CB -0.493 18.595 19.000 0.146 0.000 0.819 900 A HN 0.104 nan 8.150 nan 0.000 0.448 901 V N -0.874 119.080 119.914 0.068 0.000 2.685 901 V HA -0.062 4.066 4.120 0.014 0.000 0.244 901 V C 2.250 178.323 176.094 -0.035 0.000 1.054 901 V CA 1.472 63.786 62.300 0.024 0.000 1.076 901 V CB -0.521 31.343 31.823 0.068 0.000 0.725 901 V HN 0.445 nan 8.190 nan 0.000 0.467 902 K N 0.485 120.880 120.400 -0.009 0.000 2.152 902 K HA -0.177 4.152 4.320 0.014 0.000 0.206 902 K C 2.188 178.766 176.600 -0.036 0.000 1.048 902 K CA 1.309 57.587 56.287 -0.015 0.000 0.933 902 K CB -0.064 32.433 32.500 -0.005 0.000 0.721 902 K HN 0.383 nan 8.250 nan 0.000 0.447 903 K N 0.072 120.444 120.400 -0.048 0.000 2.167 903 K HA -0.029 4.299 4.320 0.014 0.000 0.203 903 K C 1.875 178.402 176.600 -0.120 0.000 1.052 903 K CA 0.586 56.837 56.287 -0.061 0.000 0.956 903 K CB 0.298 32.776 32.500 -0.036 0.000 0.735 903 K HN -0.065 nan 8.250 nan 0.000 0.451 904 V N 1.201 121.006 119.914 -0.182 0.000 2.591 904 V HA -0.135 3.993 4.120 0.014 0.000 0.249 904 V C 1.914 177.892 176.094 -0.194 0.000 1.053 904 V CA 1.420 63.558 62.300 -0.270 0.000 1.068 904 V CB -0.223 31.315 31.823 -0.476 0.000 0.689 904 V HN 0.292 nan 8.190 nan 0.000 0.462 905 E N 0.280 120.402 120.200 -0.131 0.000 2.106 905 E HA -0.225 4.133 4.350 0.014 0.000 0.192 905 E C 2.222 178.785 176.600 -0.061 0.000 0.984 905 E CA 1.363 57.717 56.400 -0.077 0.000 0.806 905 E CB 0.005 29.693 29.700 -0.020 0.000 0.750 905 E HN 0.711 nan 8.360 nan 0.000 0.458 906 E N 0.532 120.697 120.200 -0.058 0.000 2.110 906 E HA -0.154 4.204 4.350 0.014 0.000 0.193 906 E C 1.766 178.344 176.600 -0.037 0.000 0.988 906 E CA 0.841 57.221 56.400 -0.034 0.000 0.804 906 E CB -0.012 29.676 29.700 -0.019 0.000 0.745 906 E HN 0.147 nan 8.360 nan 0.000 0.458 907 N N 0.521 119.150 118.700 -0.118 0.000 2.331 907 N HA -0.070 4.678 4.740 0.014 0.000 0.180 907 N C 1.617 177.116 175.510 -0.019 0.000 1.019 907 N CA 0.665 53.567 53.050 -0.247 0.000 0.881 907 N CB 0.009 38.138 38.487 -0.597 0.000 0.972 907 N HN 0.166 nan 8.380 nan 0.000 0.435 908 L N -0.143 121.074 121.223 -0.011 0.000 2.341 908 L HA -0.012 4.336 4.340 0.014 0.000 0.214 908 L C 0.258 177.146 176.870 0.030 0.000 1.115 908 L CA 0.274 55.140 54.840 0.042 0.000 0.820 908 L CB 0.025 42.045 42.059 -0.065 0.000 0.944 908 L HN 0.096 nan 8.230 nan 0.000 0.452 909 Q N -0.461 119.343 119.800 0.006 0.000 2.463 909 Q HA -0.222 4.126 4.340 0.014 0.000 0.299 909 Q C 0.664 176.598 176.000 -0.111 0.000 1.353 909 Q CA 0.343 56.113 55.803 -0.055 0.000 0.828 909 Q CB -1.717 26.989 28.738 -0.053 0.000 1.157 909 Q HN 0.437 nan 8.270 nan 0.000 0.436 910 L N -2.063 119.090 121.223 -0.116 0.000 2.456 910 L HA -0.014 4.334 4.340 0.014 0.000 0.224 910 L C 2.108 178.874 176.870 -0.174 0.000 1.148 910 L CA 1.012 55.742 54.840 -0.184 0.000 0.825 910 L CB -0.233 41.713 42.059 -0.189 0.000 0.937 910 L HN 0.552 nan 8.230 nan 0.000 0.450 911 G N 0.504 109.253 108.800 -0.086 0.000 2.433 911 G HA2 -0.085 3.883 3.960 0.014 0.000 0.216 911 G HA3 -0.085 3.883 3.960 0.014 0.000 0.216 911 G C 0.928 175.778 174.900 -0.084 0.000 1.186 911 G CA 0.089 45.160 45.100 -0.048 0.000 0.779 911 G HN 0.130 nan 8.290 nan 0.000 0.543 912 L N 0.753 121.920 121.223 -0.093 0.000 2.473 912 L HA 0.253 4.601 4.340 0.014 0.000 0.268 912 L C 1.063 177.877 176.870 -0.093 0.000 1.215 912 L CA -0.406 54.389 54.840 -0.075 0.000 0.823 912 L CB 0.279 42.301 42.059 -0.062 0.000 1.099 912 L HN 0.046 nan 8.230 nan 0.000 0.483 913 T N -0.392 114.126 114.554 -0.060 0.000 2.860 913 T HA 0.013 4.371 4.350 0.014 0.000 0.299 913 T C 0.866 175.526 174.700 -0.066 0.000 1.045 913 T CA -0.318 61.746 62.100 -0.060 0.000 1.071 913 T CB 0.614 69.463 68.868 -0.031 0.000 0.985 913 T HN 0.662 nan 8.240 nan 0.000 0.537 914 D N 2.170 122.524 120.400 -0.076 0.000 2.149 914 D HA -0.110 4.538 4.640 0.014 0.000 0.194 914 D C 1.930 178.202 176.300 -0.047 0.000 1.001 914 D CA 1.609 55.565 54.000 -0.074 0.000 0.849 914 D CB -0.064 40.690 40.800 -0.077 0.000 0.939 914 D HN 0.665 nan 8.370 nan 0.000 0.449 915 E N 0.387 120.563 120.200 -0.040 0.000 2.106 915 E HA -0.121 4.237 4.350 0.014 0.000 0.192 915 E C 1.860 178.444 176.600 -0.027 0.000 0.984 915 E CA 0.842 57.218 56.400 -0.039 0.000 0.806 915 E CB -0.086 29.595 29.700 -0.031 0.000 0.750 915 E HN 0.391 nan 8.360 nan 0.000 0.458 916 E N -0.256 119.937 120.200 -0.012 0.000 2.158 916 E HA -0.006 4.352 4.350 0.014 0.000 0.191 916 E C 1.881 178.515 176.600 0.057 0.000 0.982 916 E CA 0.708 57.116 56.400 0.013 0.000 0.823 916 E CB 0.036 29.737 29.700 0.002 0.000 0.766 916 E HN 0.269 nan 8.360 nan 0.000 0.468 917 A N 0.435 123.286 122.820 0.051 0.000 1.898 917 A HA -0.068 4.260 4.320 0.014 0.000 0.214 917 A C 2.356 180.095 177.584 0.258 0.000 1.183 917 A CA 0.643 52.767 52.037 0.146 0.000 0.622 917 A CB -0.348 18.666 19.000 0.024 0.000 0.824 917 A HN 0.104 nan 8.150 nan 0.000 0.444 918 V N 0.102 120.084 119.914 0.112 0.000 2.407 918 V HA -0.304 3.824 4.120 0.014 0.000 0.248 918 V C 2.612 178.683 176.094 -0.039 0.000 1.055 918 V CA 2.251 64.566 62.300 0.024 0.000 1.049 918 V CB -0.853 30.852 31.823 -0.197 0.000 0.662 918 V HN 0.629 nan 8.190 nan 0.000 0.455 919 Q N -0.718 119.073 119.800 -0.015 0.000 2.119 919 Q HA -0.237 4.111 4.340 0.014 0.000 0.201 919 Q C 2.179 178.196 176.000 0.027 0.000 0.972 919 Q CA 1.980 57.767 55.803 -0.026 0.000 0.847 919 Q CB -0.269 28.467 28.738 -0.003 0.000 0.903 919 Q HN 0.908 nan 8.270 nan 0.000 0.433 920 H N 0.250 119.328 119.070 0.014 0.000 2.357 920 H HA -0.129 4.436 4.556 0.013 0.000 0.301 920 H C 1.865 177.190 175.328 -0.005 0.000 1.082 920 H CA 1.351 57.414 56.048 0.026 0.000 1.342 920 H CB -0.093 29.710 29.762 0.068 0.000 1.389 920 H HN 0.198 nan 8.280 nan 0.000 0.511 921 L N 0.904 122.052 121.223 -0.125 0.000 2.056 921 L HA -0.106 4.242 4.340 0.014 0.000 0.207 921 L C 2.520 179.293 176.870 -0.163 0.000 1.078 921 L CA 2.103 56.778 54.840 -0.275 0.000 0.749 921 L CB -1.194 40.783 42.059 -0.137 0.000 0.901 921 L HN 0.590 nan 8.230 nan 0.000 0.433 922 Q N -1.088 118.713 119.800 0.003 0.000 2.135 922 Q HA -0.254 4.094 4.340 0.014 0.000 0.204 922 Q C 2.299 178.287 176.000 -0.021 0.000 0.981 922 Q CA 2.177 58.033 55.803 0.088 0.000 0.856 922 Q CB -0.218 28.518 28.738 -0.002 0.000 0.902 922 Q HN 0.633 nan 8.270 nan 0.000 0.425 923 S N -0.088 115.552 115.700 -0.100 0.000 2.368 923 S HA -0.108 4.370 4.470 0.014 0.000 0.225 923 S C 1.953 176.473 174.600 -0.134 0.000 1.030 923 S CA 1.062 59.202 58.200 -0.101 0.000 0.999 923 S CB -0.256 62.874 63.200 -0.117 0.000 0.844 923 S HN 0.500 nan 8.310 nan 0.000 0.459 924 L N 0.899 121.974 121.223 -0.246 0.000 2.109 924 L HA 0.005 4.353 4.340 0.014 0.000 0.207 924 L C 2.478 179.253 176.870 -0.158 0.000 1.086 924 L CA 0.880 55.568 54.840 -0.254 0.000 0.760 924 L CB -0.638 41.152 42.059 -0.449 0.000 0.910 924 L HN 0.352 nan 8.230 nan 0.000 0.437 925 L N -0.258 120.887 121.223 -0.130 0.000 2.083 925 L HA -0.213 4.135 4.340 0.014 0.000 0.209 925 L C 1.964 178.844 176.870 0.017 0.000 1.083 925 L CA 1.293 56.108 54.840 -0.042 0.000 0.752 925 L CB -0.654 41.396 42.059 -0.016 0.000 0.899 925 L HN 0.280 nan 8.230 nan 0.000 0.433 926 D N -0.350 120.058 120.400 0.012 0.000 2.149 926 D HA -0.137 4.511 4.640 0.014 0.000 0.201 926 D C 2.216 178.524 176.300 0.014 0.000 0.972 926 D CA 1.211 55.233 54.000 0.036 0.000 0.835 926 D CB 0.000 40.823 40.800 0.038 0.000 0.966 926 D HN 0.247 nan 8.370 nan 0.000 0.476 927 V N -1.240 118.668 119.914 -0.010 0.000 2.453 927 V HA -0.115 4.013 4.120 0.014 0.000 0.247 927 V C 1.927 178.016 176.094 -0.008 0.000 1.048 927 V CA 1.657 63.950 62.300 -0.012 0.000 1.049 927 V CB -0.302 31.508 31.823 -0.021 0.000 0.672 927 V HN -0.009 nan 8.190 nan 0.000 0.457 928 S N 0.757 116.453 115.700 -0.008 0.000 2.371 928 S HA 0.112 4.590 4.470 0.014 0.000 0.224 928 S C 1.857 176.465 174.600 0.014 0.000 1.029 928 S CA 1.831 60.031 58.200 0.001 0.000 0.978 928 S CB -0.382 62.818 63.200 0.000 0.000 0.833 928 S HN 0.646 nan 8.310 nan 0.000 0.466 929 I N 2.055 122.645 120.570 0.032 0.000 2.315 929 I HA -0.160 4.019 4.170 0.014 0.000 0.248 929 I C 2.635 178.757 176.117 0.008 0.000 1.117 929 I CA 1.479 62.802 61.300 0.039 0.000 1.404 929 I CB -0.994 37.057 38.000 0.085 0.000 1.071 929 I HN 0.424 nan 8.210 nan 0.000 0.419 930 T N -0.545 114.008 114.554 -0.001 0.000 2.904 930 T HA -0.010 4.348 4.350 0.014 0.000 0.267 930 T C 1.982 176.660 174.700 -0.037 0.000 1.059 930 T CA 0.918 63.003 62.100 -0.024 0.000 1.137 930 T CB -0.340 68.513 68.868 -0.026 0.000 0.879 930 T HN 0.351 nan 8.240 nan 0.000 0.467 931 A N 0.830 123.635 122.820 -0.026 0.000 2.014 931 A HA 0.232 4.560 4.320 0.014 0.000 0.218 931 A C 2.509 180.077 177.584 -0.026 0.000 1.163 931 A CA 0.767 52.786 52.037 -0.030 0.000 0.652 931 A CB -0.753 18.236 19.000 -0.018 0.000 0.808 931 A HN 0.382 nan 8.150 nan 0.000 0.449 932 V N 0.111 120.014 119.914 -0.018 0.000 2.407 932 V HA -0.066 4.063 4.120 0.014 0.000 0.245 932 V C 1.044 177.122 176.094 -0.027 0.000 1.041 932 V CA 0.835 63.124 62.300 -0.018 0.000 1.040 932 V CB -0.536 31.282 31.823 -0.008 0.000 0.671 932 V HN 0.453 nan 8.190 nan 0.000 0.455 933 M N 1.262 120.843 119.600 -0.031 0.000 2.228 933 M HA 0.193 4.681 4.480 0.014 0.000 0.351 933 M C -1.162 175.110 176.300 -0.046 0.000 1.233 933 M CA -2.764 52.513 55.300 -0.039 0.000 1.129 933 M CB 0.309 32.884 32.600 -0.042 0.000 1.604 933 M HN 0.002 nan 8.290 nan 0.000 0.457 934 P HA -0.035 nan 4.420 nan 0.000 0.218 934 P C 0.907 178.178 177.300 -0.048 0.000 1.152 934 P CA 1.427 64.504 63.100 -0.039 0.000 0.826 934 P CB 0.065 31.747 31.700 -0.031 0.000 0.790 935 A N -0.010 122.779 122.820 -0.050 0.000 2.015 935 A HA -0.046 4.282 4.320 0.014 0.000 0.219 935 A C 2.367 179.897 177.584 -0.089 0.000 1.163 935 A CA 0.978 52.980 52.037 -0.058 0.000 0.646 935 A CB -1.387 17.585 19.000 -0.047 0.000 0.806 935 A HN 0.119 nan 8.150 nan 0.000 0.448 936 L N -0.658 120.510 121.223 -0.092 0.000 2.240 936 L HA -0.065 4.283 4.340 0.014 0.000 0.211 936 L C 2.271 179.041 176.870 -0.167 0.000 1.106 936 L CA 0.645 55.417 54.840 -0.114 0.000 0.793 936 L CB -0.327 41.686 42.059 -0.077 0.000 0.927 936 L HN 0.242 nan 8.230 nan 0.000 0.446 937 V N -0.314 119.503 119.914 -0.162 0.000 2.591 937 V HA -0.177 3.951 4.120 0.014 0.000 0.249 937 V C 2.197 178.107 176.094 -0.307 0.000 1.053 937 V CA 1.299 63.449 62.300 -0.251 0.000 1.068 937 V CB -0.326 31.382 31.823 -0.193 0.000 0.689 937 V HN 0.423 nan 8.190 nan 0.000 0.462 938 E N -0.136 119.971 120.200 -0.156 0.000 2.106 938 E HA -0.250 4.108 4.350 0.014 0.000 0.192 938 E C 2.273 178.780 176.600 -0.155 0.000 0.984 938 E CA 1.102 57.461 56.400 -0.068 0.000 0.806 938 E CB -0.085 29.594 29.700 -0.034 0.000 0.750 938 E HN 0.596 nan 8.360 nan 0.000 0.458 939 Q N 0.523 120.163 119.800 -0.266 0.000 2.119 939 Q HA -0.136 4.212 4.340 0.014 0.000 0.201 939 Q C 2.149 177.655 176.000 -0.824 0.000 0.972 939 Q CA 0.921 56.428 55.803 -0.494 0.000 0.847 939 Q CB 0.118 28.590 28.738 -0.443 0.000 0.903 939 Q HN 0.323 nan 8.270 nan 0.000 0.433 940 I N 0.034 120.274 120.570 -0.550 0.000 2.353 940 I HA -0.253 3.926 4.170 0.014 0.000 0.248 940 I C 2.007 178.006 176.117 -0.196 0.000 1.119 940 I CA 0.747 61.801 61.300 -0.411 0.000 1.417 940 I CB -0.347 37.504 38.000 -0.250 0.000 1.078 940 I HN 0.313 nan 8.210 nan 0.000 0.421 941 H N 1.006 119.998 119.070 -0.130 0.000 2.389 941 H HA -0.035 4.529 4.556 0.014 0.000 0.299 941 H C 2.300 177.627 175.328 -0.002 0.000 1.081 941 H CA 1.087 57.114 56.048 -0.036 0.000 1.345 941 H CB -0.135 29.608 29.762 -0.032 0.000 1.393 941 H HN 0.254 nan 8.280 nan 0.000 0.520 942 R N -0.200 120.328 120.500 0.046 0.000 2.120 942 R HA -0.077 4.271 4.340 0.014 0.000 0.234 942 R C 2.282 178.759 176.300 0.294 0.000 1.123 942 R CA 0.913 57.072 56.100 0.098 0.000 0.975 942 R CB -0.288 30.020 30.300 0.013 0.000 0.866 942 R HN 0.355 nan 8.270 nan 0.000 0.446 943 F N -0.225 119.802 119.950 0.129 0.000 2.293 943 F HA -0.098 4.437 4.527 0.014 0.000 0.297 943 F C 2.420 178.362 175.800 0.235 0.000 1.089 943 F CA 0.402 58.487 58.000 0.141 0.000 1.377 943 F CB -0.129 38.923 39.000 0.087 0.000 1.051 943 F HN -0.000 nan 8.300 nan 0.000 0.511 944 T N -0.671 114.114 114.554 0.384 0.000 2.833 944 T HA -0.246 4.112 4.350 0.014 0.000 0.269 944 T C 1.701 176.588 174.700 0.313 0.000 1.054 944 T CA 1.247 63.538 62.100 0.318 0.000 1.135 944 T CB -0.242 68.772 68.868 0.243 0.000 0.869 944 T HN 0.130 nan 8.240 nan 0.000 0.466 945 Q N -0.602 119.364 119.800 0.277 0.000 2.245 945 Q HA 0.089 4.437 4.340 0.014 0.000 0.201 945 Q C 1.665 177.780 176.000 0.193 0.000 0.955 945 Q CA 0.720 56.641 55.803 0.197 0.000 0.870 945 Q CB -0.258 28.572 28.738 0.152 0.000 0.945 945 Q HN 0.700 nan 8.270 nan 0.000 0.461 946 Y N -1.492 118.872 120.300 0.107 0.000 2.181 946 Y HA -0.236 4.322 4.550 0.014 0.000 0.288 946 Y C 0.941 176.732 175.900 -0.181 0.000 1.146 946 Y CA 1.694 59.756 58.100 -0.065 0.000 1.164 946 Y CB -0.062 38.313 38.460 -0.141 0.000 0.982 946 Y HN 0.188 nan 8.280 nan 0.000 0.515 947 W N 0.808 122.249 121.300 0.235 0.000 2.800 947 W HA 0.071 4.740 4.660 0.014 0.000 0.249 947 W C 1.211 177.756 176.519 0.044 0.000 1.294 947 W CA 0.705 58.127 57.345 0.128 0.000 1.402 947 W CB -0.005 29.543 29.460 0.148 0.000 1.126 947 W HN -0.158 nan 8.180 nan 0.000 0.652 948 R N 0.000 120.625 120.500 0.209 0.000 2.786 948 R HA 0.000 4.348 4.340 0.014 0.000 0.208 948 R CA 0.000 56.177 56.100 0.128 0.000 0.921 948 R CB 0.000 30.324 30.300 0.040 0.000 0.687 948 R HN 0.000 nan 8.270 nan 0.000 0.535