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 3kie_1_G DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL 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 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.924 174.900 0.040 0.000 0.946 217 G CA 0.000 45.114 45.100 0.023 0.000 0.502 218 A N 1.708 124.547 122.820 0.033 0.000 2.476 218 A HA 0.808 5.127 4.320 -0.001 0.000 0.280 218 A C -1.073 176.530 177.584 0.032 0.000 1.081 218 A CA -0.540 51.520 52.037 0.038 0.000 0.753 218 A CB 1.563 20.583 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.550 120.973 120.400 0.038 0.000 2.989 219 D HA 0.694 5.333 4.640 -0.001 0.000 0.284 219 D C 0.674 176.995 176.300 0.034 0.000 1.212 219 D CA 0.279 54.298 54.000 0.033 0.000 1.055 219 D CB 1.317 42.136 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.706 108.112 108.800 0.031 0.000 2.828 220 G HA2 0.456 4.416 3.960 -0.001 0.000 0.244 220 G HA3 0.456 4.416 3.960 -0.001 0.000 0.244 220 G C 0.813 175.731 174.900 0.030 0.000 1.365 220 G CA -0.217 44.900 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.473 120.401 119.914 0.023 0.000 2.273 221 V HA 0.109 4.229 4.120 -0.001 0.000 0.242 221 V C 2.376 178.482 176.094 0.020 0.000 1.035 221 V CA 1.856 64.168 62.300 0.021 0.000 1.013 221 V CB -0.666 31.166 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.187 109.997 108.800 0.017 0.000 3.709 222 G HA2 0.234 4.194 3.960 -0.001 0.000 0.272 222 G HA3 0.234 4.194 3.960 -0.001 0.000 0.272 222 G C -0.121 174.790 174.900 0.020 0.000 1.259 222 G CA 0.011 45.120 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.147 118.863 118.700 0.027 0.000 2.571 223 N HA 0.215 4.955 4.740 -0.001 0.000 0.286 223 N C -0.039 175.499 175.510 0.047 0.000 1.138 223 N CA -0.525 52.544 53.050 0.031 0.000 0.859 223 N CB 1.336 39.840 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.652 117.384 115.700 0.053 0.000 2.544 224 S HA 0.035 4.504 4.470 -0.001 0.000 0.290 224 S C 0.883 175.536 174.600 0.088 0.000 1.276 224 S CA -0.106 58.144 58.200 0.084 0.000 1.075 224 S CB 0.381 63.635 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.734 117.515 115.700 0.134 0.000 2.743 225 S HA 0.542 5.012 4.470 -0.001 0.000 0.230 225 S C 0.716 175.364 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.719 62.580 63.200 0.165 0.000 0.779 225 S HN 1.525 nan 8.310 nan 0.000 0.487 226 G N 0.296 109.103 108.800 0.011 0.000 2.340 226 G HA2 0.343 4.302 3.960 -0.001 0.000 0.298 226 G HA3 0.343 4.302 3.960 -0.001 0.000 0.298 226 G C -1.802 172.965 174.900 -0.221 0.000 1.498 226 G CA -1.089 43.787 45.100 -0.372 0.000 0.847 226 G HN 0.266 nan 8.290 nan 0.000 0.594 227 N N -0.708 117.810 118.700 -0.302 0.000 2.471 227 N HA 0.427 5.166 4.740 -0.001 0.000 0.288 227 N C -0.779 174.730 175.510 -0.002 0.000 1.220 227 N CA -0.851 52.147 53.050 -0.087 0.000 0.893 227 N CB 1.997 40.385 38.487 -0.164 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.786 124.023 121.300 -0.105 0.000 2.365 228 W HA 0.141 4.801 4.660 -0.001 0.000 0.371 228 W C -0.953 175.468 176.519 -0.162 0.000 1.006 228 W CA 0.002 57.340 57.345 -0.012 0.000 1.528 228 W CB -0.285 29.175 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.860 123.855 119.070 -0.125 0.000 2.787 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.275 229 H C -0.189 175.022 175.328 -0.194 0.000 1.183 229 H CA -0.031 55.953 56.048 -0.105 0.000 1.290 229 H CB 1.088 30.776 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.470 123.773 119.300 0.005 0.000 2.547 230 C HA 0.354 4.813 4.460 -0.001 0.000 0.327 230 C C -0.887 174.147 174.990 0.073 0.000 1.076 230 C CA -0.358 58.661 59.018 0.002 0.000 1.390 230 C CB -0.412 27.344 27.740 0.027 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.152 122.574 120.400 0.037 0.000 2.710 231 D HA 0.642 5.282 4.640 -0.001 0.000 0.276 231 D C -1.277 175.017 176.300 -0.011 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.111 42.946 40.800 0.059 0.000 1.299 231 D HN 0.626 nan 8.370 nan 0.000 0.421 232 S N 0.813 116.503 115.700 -0.016 0.000 2.603 232 S HA 0.725 5.195 4.470 -0.001 0.000 0.274 232 S C -1.460 173.104 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.721 64.807 63.200 -0.190 0.000 1.078 232 S HN 0.461 nan 8.310 nan 0.000 0.477 233 Q N 1.410 121.147 119.800 -0.104 0.000 2.458 233 Q HA 0.809 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.674 174.267 176.000 -0.098 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.023 0.000 0.814 233 Q CB 0.428 29.210 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.336 121.656 121.300 0.033 0.000 2.639 234 W HA 0.573 5.233 4.660 -0.001 0.000 0.347 234 W C -0.012 176.528 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.105 30.583 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.770 124.150 121.223 0.262 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.665 178.630 176.870 0.159 0.000 1.166 235 L CA 0.903 55.840 54.840 0.163 0.000 0.977 235 L CB -0.744 41.379 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.077 110.007 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G C 0.989 175.973 174.900 0.139 0.000 1.073 236 G CA 1.122 46.310 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.352 120.834 120.400 0.138 0.000 2.388 237 D HA 0.189 4.829 4.640 -0.001 0.000 0.208 237 D C 1.229 177.633 176.300 0.173 0.000 1.035 237 D CA 1.174 55.251 54.000 0.129 0.000 0.875 237 D CB 0.190 41.045 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.745 118.867 120.500 0.187 0.000 2.741 238 R HA 0.567 4.907 4.340 -0.001 0.000 0.276 238 R C -2.038 174.350 176.300 0.147 0.000 1.028 238 R CA -0.979 55.236 56.100 0.190 0.000 0.865 238 R CB 1.074 31.456 30.300 0.137 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.632 121.599 119.914 0.088 0.000 2.686 239 V HA 0.565 4.685 4.120 -0.001 0.000 0.306 239 V C -1.576 174.487 176.094 -0.052 0.000 1.065 239 V CA -0.877 61.323 62.300 -0.166 0.000 0.894 239 V CB 1.955 33.355 31.823 -0.706 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.594 126.080 120.570 -0.140 0.000 2.339 240 I HA 0.505 4.675 4.170 -0.001 0.000 0.290 240 I C 0.441 176.477 176.117 -0.135 0.000 0.994 240 I CA 0.070 61.332 61.300 -0.064 0.000 1.191 240 I CB 2.057 40.017 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.453 115.970 114.554 -0.061 0.000 2.756 241 T HA 0.596 4.945 4.350 -0.001 0.000 0.290 241 T C -0.069 174.601 174.700 -0.049 0.000 0.985 241 T CA -0.681 61.337 62.100 -0.137 0.000 0.955 241 T CB 0.519 69.237 68.868 -0.250 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.898 117.416 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.986 4.350 -0.001 0.000 0.280 242 T C -0.299 174.376 174.700 -0.042 0.000 0.987 242 T CA -0.737 61.336 62.100 -0.045 0.000 0.993 242 T CB 1.448 70.294 68.868 -0.036 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.935 117.598 115.700 -0.061 0.000 2.571 243 S HA 0.684 5.154 4.470 -0.001 0.000 0.284 243 S C -0.934 173.547 174.600 -0.199 0.000 1.128 243 S CA -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.205 64.382 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.324 119.659 114.554 -0.366 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.959 173.361 174.700 -0.634 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.628 0.000 0.978 244 T CB 1.090 69.239 68.868 -1.199 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.233 121.567 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.976 4.340 -0.001 0.000 0.269 245 R C -0.818 175.616 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.681 32.191 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.619 117.362 114.554 0.315 0.000 2.799 246 T HA 0.513 4.863 4.350 -0.001 0.000 0.286 246 T C -0.192 174.463 174.700 -0.074 0.000 0.973 246 T CA -0.624 61.517 62.100 0.067 0.000 1.035 246 T CB 0.660 69.560 68.868 0.054 0.000 0.932 246 T HN 0.456 nan 8.240 nan 0.000 0.469 247 W N 0.673 121.814 121.300 -0.265 0.000 2.799 247 W HA 0.836 5.495 4.660 -0.001 0.000 0.349 247 W C -1.303 174.994 176.519 -0.371 0.000 1.100 247 W CA -1.715 55.196 57.345 -0.723 0.000 1.174 247 W CB 1.391 30.499 29.460 -0.588 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.741 125.548 122.820 -0.022 0.000 2.414 248 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 248 A C -2.198 175.507 177.584 0.201 0.000 1.054 248 A CA -0.759 51.341 52.037 0.105 0.000 0.724 248 A CB 1.978 20.962 19.000 -0.027 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.679 125.074 121.223 0.286 0.000 2.404 249 L HA 0.689 5.029 4.340 -0.001 0.000 0.272 249 L C -2.682 174.239 176.870 0.086 0.000 0.980 249 L CA -1.585 53.352 54.840 0.162 0.000 0.836 249 L CB 2.125 44.275 42.059 0.153 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.375 nan 4.420 nan 0.000 0.293 250 P C -1.049 176.094 177.300 -0.262 0.000 1.304 250 P CA -0.420 62.540 63.100 -0.233 0.000 0.767 250 P CB 0.542 31.933 31.700 -0.515 0.000 1.247 251 T N 0.610 114.997 114.554 -0.279 0.000 2.762 251 T HA 0.321 4.670 4.350 -0.001 0.000 0.303 251 T C -0.363 174.130 174.700 -0.345 0.000 0.977 251 T CA 0.080 62.005 62.100 -0.293 0.000 0.961 251 T CB -0.847 67.805 68.868 -0.358 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.084 122.279 120.300 -0.175 0.000 2.301 252 Y HA 0.188 4.738 4.550 -0.001 0.000 0.328 252 Y C 1.684 177.499 175.900 -0.143 0.000 1.242 252 Y CA -0.213 57.812 58.100 -0.126 0.000 1.323 252 Y CB 0.409 38.825 38.460 -0.075 0.000 1.266 252 Y HN 0.707 nan 8.280 nan 0.000 0.527 253 N N 1.936 120.691 118.700 0.092 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.363 175.139 175.510 -0.012 0.000 1.155 253 N CA 0.772 53.847 53.050 0.042 0.000 0.747 253 N CB -0.597 37.920 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.169 118.806 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.560 174.897 175.510 -0.089 0.000 1.024 254 N CA 2.032 55.000 53.050 -0.138 0.000 0.726 254 N CB -1.746 36.752 38.487 0.018 0.000 0.908 254 N HN 0.722 nan 8.380 nan 0.000 0.542 255 H N -2.731 116.294 119.070 -0.076 0.000 2.861 255 H HA -0.202 4.353 4.556 -0.001 0.000 0.289 255 H C -0.160 175.142 175.328 -0.042 0.000 1.176 255 H CA 1.212 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.141 28.386 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.133 121.399 121.223 0.072 0.000 2.401 256 L HA 0.452 4.792 4.340 -0.001 0.000 0.266 256 L C -0.242 176.689 176.870 0.102 0.000 0.991 256 L CA -1.028 53.901 54.840 0.149 0.000 0.818 256 L CB 1.407 43.570 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.075 122.527 120.300 0.254 0.000 2.336 257 Y HA 0.324 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.029 176.086 175.900 0.262 0.000 1.046 257 Y CA -0.164 58.123 58.100 0.312 0.000 1.198 257 Y CB 1.018 39.732 38.460 0.422 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.874 123.484 120.400 0.350 0.000 2.270 258 K HA 0.224 4.544 4.320 -0.001 0.000 0.255 258 K C -0.820 175.870 176.600 0.149 0.000 0.936 258 K CA -1.059 55.354 56.287 0.209 0.000 0.809 258 K CB 1.966 34.531 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.113 124.921 119.800 0.014 0.000 2.307 259 Q HA 0.194 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.526 175.223 176.000 -0.419 0.000 1.051 259 Q CA -0.333 55.228 55.803 -0.404 0.000 0.911 259 Q CB 0.199 28.742 28.738 -0.325 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.030 121.258 120.570 -0.569 0.000 2.707 260 I HA 0.793 4.962 4.170 -0.001 0.000 0.309 260 I C -0.508 175.249 176.117 -0.601 0.000 1.001 260 I CA -0.727 60.343 61.300 -0.385 0.000 1.129 260 I CB 2.080 39.985 38.000 -0.157 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.867 117.255 115.700 -0.520 0.000 2.661 261 S HA 0.469 4.938 4.470 -0.001 0.000 0.268 261 S C -0.559 173.499 174.600 -0.903 0.000 1.162 261 S CA -0.592 57.145 58.200 -0.771 0.000 0.817 261 S CB 0.875 63.936 63.200 -0.233 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.150 116.370 115.700 -0.800 0.000 2.576 262 S HA 0.355 4.824 4.470 -0.001 0.000 0.276 262 S C 0.091 174.675 174.600 -0.027 0.000 1.339 262 S CA -0.552 57.515 58.200 -0.222 0.000 1.039 262 S CB 0.286 63.556 63.200 0.116 0.000 0.902 262 S HN 0.768 nan 8.310 nan 0.000 0.516 263 Q N 1.473 121.296 119.800 0.038 0.000 2.349 263 Q HA 0.051 4.391 4.340 -0.001 0.000 0.287 263 Q C -0.351 175.675 176.000 0.043 0.000 1.044 263 Q CA 0.391 56.209 55.803 0.025 0.000 0.918 263 Q CB 0.537 29.286 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.518 118.238 115.700 0.034 0.000 2.711 264 S HA 0.211 4.680 4.470 -0.001 0.000 0.335 264 S C 0.683 175.312 174.600 0.050 0.000 1.175 264 S CA 0.421 58.648 58.200 0.045 0.000 1.372 264 S CB -0.739 62.473 63.200 0.021 0.000 1.337 264 S HN 0.811 nan 8.310 nan 0.000 0.572 265 G N 2.018 110.873 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.465 175.370 174.900 0.008 0.000 1.077 265 G CA -0.022 45.117 45.100 0.065 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.073 121.726 122.820 -0.034 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.084 178.601 177.584 -0.112 0.000 1.243 266 A CA 1.602 53.603 52.037 -0.060 0.000 0.887 266 A CB 0.835 19.809 19.000 -0.043 0.000 0.933 266 A HN 1.559 nan 8.150 nan 0.000 0.479 267 S N -2.001 113.575 115.700 -0.208 0.000 2.552 267 S HA 0.334 4.803 4.470 -0.001 0.000 0.272 267 S C 0.025 174.368 174.600 -0.428 0.000 1.150 267 S CA -0.392 57.658 58.200 -0.250 0.000 0.849 267 S CB 1.258 64.327 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.663 119.239 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.016 175.567 175.510 0.069 0.000 1.040 268 N CA 0.199 53.238 53.050 -0.018 0.000 0.890 268 N CB 0.130 38.668 38.487 0.085 0.000 1.233 268 N HN 0.510 nan 8.380 nan 0.000 0.435 269 D N 0.652 121.060 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.022 176.291 176.300 0.021 0.000 1.020 269 D CA 0.631 54.669 54.000 0.064 0.000 0.892 269 D CB -0.200 40.657 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.602 118.069 118.700 -0.050 0.000 2.200 270 N HA 0.006 4.746 4.740 -0.001 0.000 0.224 270 N C 0.038 175.592 175.510 0.073 0.000 1.179 270 N CA -0.354 52.674 53.050 -0.037 0.000 0.877 270 N CB 0.735 39.151 38.487 -0.117 0.000 1.072 270 N HN 0.069 nan 8.380 nan 0.000 0.519 271 H N 1.121 120.275 119.070 0.141 0.000 2.871 271 H HA 0.045 4.600 4.556 -0.001 0.000 0.355 271 H C -0.423 175.080 175.328 0.292 0.000 1.092 271 H CA 0.678 56.834 56.048 0.180 0.000 1.420 271 H CB 0.368 30.185 29.762 0.093 0.000 1.400 271 H HN 0.260 nan 8.280 nan 0.000 0.604 272 Y N 0.554 120.977 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.022 4.550 -0.001 0.000 0.336 272 Y C -2.271 173.745 175.900 0.193 0.000 1.203 272 Y CA -1.376 56.815 58.100 0.151 0.000 1.072 272 Y CB 1.308 39.812 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.283 121.200 119.950 -0.055 0.000 2.588 273 F HA 0.833 5.360 4.527 -0.001 0.000 0.314 273 F C -0.347 175.403 175.800 -0.083 0.000 1.134 273 F CA 0.035 57.914 58.000 -0.202 0.000 0.961 273 F CB 1.969 40.875 39.000 -0.157 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.931 111.222 108.800 -0.848 0.000 2.588 274 G HA2 0.491 4.451 3.960 -0.001 0.000 0.281 274 G HA3 0.491 4.451 3.960 -0.001 0.000 0.281 274 G C -2.406 171.860 174.900 -1.056 0.000 1.223 274 G CA -0.580 44.136 45.100 -0.640 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.891 119.042 120.300 -0.612 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.842 175.900 -0.253 0.000 1.065 275 Y CA -0.796 57.073 58.100 -0.385 0.000 1.038 275 Y CB 2.605 40.947 38.460 -0.195 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.303 117.079 115.700 0.126 0.000 2.456 276 S HA 0.572 5.042 4.470 -0.001 0.000 0.316 276 S C -0.592 174.135 174.600 0.213 0.000 1.089 276 S CA -0.539 57.728 58.200 0.111 0.000 1.101 276 S CB 0.198 63.432 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.734 117.423 114.554 0.224 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.289 174.700 0.022 0.000 1.009 277 T CA -2.080 60.095 62.100 0.125 0.000 1.051 277 T CB 1.375 70.554 68.868 0.518 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.145 nan 4.420 nan 0.000 0.242 278 P C -0.689 176.571 177.300 -0.067 0.000 1.197 278 P CA 0.041 63.072 63.100 -0.116 0.000 0.765 278 P CB -0.083 31.464 31.700 -0.255 0.000 0.936 279 W N 0.321 121.606 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.220 4.660 -0.001 0.000 0.336 279 W C 1.073 177.571 176.519 -0.035 0.000 1.160 279 W CA -0.044 57.299 57.345 -0.004 0.000 1.266 279 W CB 0.687 30.136 29.460 -0.017 0.000 1.195 279 W HN -0.190 nan 8.180 nan 0.000 0.599 280 G N 0.560 109.455 108.800 0.159 0.000 2.705 280 G HA2 0.738 4.698 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.698 3.960 -0.001 0.000 0.299 280 G C -1.970 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.711 44.364 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.928 117.224 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.792 173.915 175.900 -0.322 0.000 1.155 281 Y CA -2.188 55.755 58.100 -0.261 0.000 1.046 281 Y CB 1.064 39.410 38.460 -0.189 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.546 121.548 119.950 0.087 0.000 2.422 282 F HA 0.567 5.094 4.527 -0.001 0.000 0.333 282 F C -0.268 175.633 175.800 0.168 0.000 1.095 282 F CA -0.082 58.008 58.000 0.149 0.000 1.038 282 F CB 1.700 40.866 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.713 122.305 120.400 0.321 0.000 2.753 283 D HA 0.446 5.086 4.640 -0.001 0.000 0.224 283 D C -0.885 175.497 176.300 0.137 0.000 1.213 283 D CA -0.516 53.525 54.000 0.068 0.000 0.833 283 D CB 1.291 42.142 40.800 0.086 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.611 120.661 119.950 0.167 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.303 176.153 175.800 0.082 0.000 1.313 284 F CA -0.813 57.249 58.000 0.103 0.000 1.089 284 F CB -0.973 38.179 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.834 120.367 118.700 -0.279 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.381 174.925 175.510 -0.339 0.000 1.310 285 N CA 0.011 52.700 53.050 -0.601 0.000 0.886 285 N CB 0.183 38.122 38.487 -0.915 0.000 1.205 285 N HN 0.371 nan 8.380 nan 0.000 0.488 286 R N -0.415 119.961 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.533 4.340 -0.001 0.000 0.288 286 R C 0.014 176.188 176.300 -0.209 0.000 0.980 286 R CA -0.655 55.272 56.100 -0.288 0.000 0.891 286 R CB 0.941 30.925 30.300 -0.526 0.000 1.188 286 R HN 0.128 nan 8.270 nan 0.000 0.450 287 F N 1.013 120.960 119.950 -0.007 0.000 2.216 287 F HA -0.183 4.344 4.527 -0.001 0.000 0.300 287 F C 2.316 178.155 175.800 0.065 0.000 1.085 287 F CA 1.697 59.784 58.000 0.146 0.000 1.326 287 F CB -0.071 38.837 39.000 -0.154 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.792 116.343 119.070 0.109 0.000 2.561 288 H HA -0.039 4.516 4.556 -0.001 0.000 0.278 288 H C 1.752 177.093 175.328 0.022 0.000 1.014 288 H CA 0.577 56.650 56.048 0.042 0.000 1.211 288 H CB -1.415 28.347 29.762 -0.000 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.668 119.826 119.300 -0.236 0.000 2.432 289 C HA -0.033 4.427 4.460 -0.001 0.000 0.280 289 C C 1.848 176.606 174.990 -0.387 0.000 1.353 289 C CA 1.011 59.816 59.018 -0.355 0.000 1.766 289 C CB -0.612 26.754 27.740 -0.624 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.785 116.404 119.070 0.199 0.000 2.521 290 H HA 0.243 4.799 4.556 -0.001 0.000 0.267 290 H C 0.128 175.417 175.328 -0.065 0.000 0.963 290 H CA 0.193 56.289 56.048 0.080 0.000 1.175 290 H CB -0.201 29.661 29.762 0.167 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.895 122.982 119.950 0.229 0.000 2.394 291 F HA 0.261 4.788 4.527 -0.001 0.000 0.340 291 F C 1.143 177.017 175.800 0.125 0.000 1.105 291 F CA -0.855 57.244 58.000 0.165 0.000 1.124 291 F CB 1.205 40.360 39.000 0.260 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.735 118.600 115.700 0.274 0.000 2.632 292 S HA 0.369 4.839 4.470 -0.001 0.000 0.267 292 S C -2.023 172.681 174.600 0.173 0.000 1.276 292 S CA -1.169 57.145 58.200 0.189 0.000 0.998 292 S CB 1.508 64.799 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.173 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.306 64.310 63.100 -0.160 0.000 0.880 293 P CB -0.032 31.488 31.700 -0.300 0.000 0.791 294 R N 0.344 120.885 120.500 0.069 0.000 2.070 294 R HA -0.143 4.196 4.340 -0.001 0.000 0.233 294 R C 1.835 178.225 176.300 0.149 0.000 1.137 294 R CA 2.058 58.216 56.100 0.097 0.000 0.945 294 R CB -1.664 28.703 30.300 0.112 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.352 120.209 120.400 0.268 0.000 2.116 295 D HA -0.257 4.382 4.640 -0.001 0.000 0.193 295 D C 1.689 178.233 176.300 0.406 0.000 0.998 295 D CA 1.324 55.606 54.000 0.470 0.000 0.836 295 D CB -0.651 40.475 40.800 0.544 0.000 0.951 295 D HN 0.409 nan 8.370 nan 0.000 0.449 296 W N 1.944 123.294 121.300 0.084 0.000 2.325 296 W HA -0.234 4.425 4.660 -0.001 0.000 0.299 296 W C 2.221 178.611 176.519 -0.214 0.000 1.215 296 W CA 1.420 58.666 57.345 -0.164 0.000 1.244 296 W CB -0.089 29.224 29.460 -0.244 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.339 120.107 119.800 -0.053 0.000 2.020 297 Q HA -0.234 4.105 4.340 -0.001 0.000 0.202 297 Q C 2.433 178.306 176.000 -0.213 0.000 0.982 297 Q CA 2.153 57.859 55.803 -0.161 0.000 0.838 297 Q CB -0.277 28.440 28.738 -0.035 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.360 120.752 120.500 -0.181 0.000 2.094 298 R HA -0.190 4.149 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.345 0.000 1.137 298 R CA 1.703 57.605 56.100 -0.330 0.000 0.943 298 R CB -0.800 29.156 30.300 -0.574 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.811 121.893 121.223 -0.236 0.000 1.971 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.215 299 L C 2.238 178.889 176.870 -0.365 0.000 1.072 299 L CA 1.535 56.234 54.840 -0.235 0.000 0.758 299 L CB -0.288 41.499 42.059 -0.454 0.000 0.889 299 L HN 0.186 nan 8.230 nan 0.000 0.433 300 I N 0.446 120.687 120.570 -0.548 0.000 2.163 300 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 300 I C 1.948 177.938 176.117 -0.211 0.000 1.085 300 I CA 1.526 62.555 61.300 -0.452 0.000 1.347 300 I CB -1.651 35.989 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.033 119.600 118.700 -0.221 0.000 2.521 301 N HA -0.057 4.682 4.740 -0.001 0.000 0.188 301 N C 1.070 176.536 175.510 -0.072 0.000 1.146 301 N CA 0.450 53.429 53.050 -0.117 0.000 0.893 301 N CB -0.077 38.331 38.487 -0.132 0.000 0.975 301 N HN 0.469 nan 8.380 nan 0.000 0.451 302 N N -0.281 118.363 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.616 174.856 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.002 53.050 -0.105 0.000 0.881 302 N CB 0.784 39.167 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.144 118.576 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.334 176.059 175.510 0.358 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.769 40.358 38.487 0.171 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.918 123.238 121.300 0.034 0.000 2.321 304 W HA -0.127 4.533 4.660 -0.001 0.000 0.306 304 W C 1.119 177.728 176.519 0.149 0.000 1.217 304 W CA 0.266 57.630 57.345 0.030 0.000 1.257 304 W CB 0.343 29.733 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.857 107.198 108.800 0.425 0.000 2.550 305 G HA2 0.468 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.468 4.427 3.960 -0.001 0.000 0.293 305 G C -1.821 173.535 174.900 0.759 0.000 1.402 305 G CA -0.658 44.732 45.100 0.483 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.313 119.079 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.760 175.287 175.800 0.412 0.000 1.164 306 F CA -1.367 57.009 58.000 0.626 0.000 0.924 306 F CB 1.650 40.880 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.356 120.345 120.500 0.336 0.000 2.712 307 R HA 0.689 5.029 4.340 -0.001 0.000 0.272 307 R C -3.635 172.588 176.300 -0.128 0.000 1.032 307 R CA -1.934 54.020 56.100 -0.244 0.000 0.874 307 R CB 1.600 31.419 30.300 -0.802 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.315 nan 4.420 nan 0.000 0.278 308 P C -0.731 176.072 177.300 -0.829 0.000 1.238 308 P CA -0.580 61.760 63.100 -1.267 0.000 0.794 308 P CB 1.154 31.526 31.700 -2.214 0.000 0.955 309 K N 0.994 121.082 120.400 -0.520 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.401 177.033 176.600 0.053 0.000 1.349 309 K CA 0.756 56.944 56.287 -0.164 0.000 0.841 309 K CB 0.215 32.620 32.500 -0.157 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.296 120.682 120.400 -0.023 0.000 2.331 310 K HA 0.551 4.871 4.320 -0.001 0.000 0.238 310 K C -1.225 175.365 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.714 34.139 32.500 -0.125 0.000 1.292 310 K HN -0.087 nan 8.250 nan 0.000 0.470 311 L N -0.352 120.824 121.223 -0.079 0.000 2.513 311 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 311 L C -1.790 175.037 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.480 44.567 42.059 0.046 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.375 120.053 115.700 -0.037 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.282 173.354 174.600 0.060 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.036 0.000 1.057 312 S CB 0.734 63.874 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.668 123.630 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.139 175.723 175.800 0.102 0.000 1.113 313 F CA -0.404 57.654 58.000 0.097 0.000 1.022 313 F CB 0.818 39.993 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.230 127.358 120.400 -0.453 0.000 2.513 314 K HA 0.557 4.876 4.320 -0.001 0.000 0.251 314 K C -2.115 174.424 176.600 -0.103 0.000 0.939 314 K CA -0.619 55.593 56.287 -0.125 0.000 0.793 314 K CB 1.499 33.978 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.053 127.384 121.223 0.181 0.000 2.341 315 L HA 0.682 5.021 4.340 -0.001 0.000 0.278 315 L C -0.761 176.372 176.870 0.438 0.000 1.005 315 L CA -0.824 54.132 54.840 0.193 0.000 0.818 315 L CB 0.939 43.101 42.059 0.171 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.513 119.549 119.950 0.185 0.000 2.985 316 F HA 0.399 4.925 4.527 -0.001 0.000 0.322 316 F C 0.058 175.943 175.800 0.142 0.000 1.187 316 F CA -1.441 56.648 58.000 0.148 0.000 0.910 316 F CB 1.083 40.135 39.000 0.088 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.346 119.213 118.700 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.542 175.510 -0.002 0.000 1.033 317 N CA 0.566 53.687 53.050 0.120 0.000 0.727 317 N CB -1.141 37.408 38.487 0.103 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.006 121.617 120.570 0.069 0.000 2.588 318 I HA 0.012 4.182 4.170 -0.001 0.000 0.283 318 I C 0.520 176.635 176.117 -0.004 0.000 1.119 318 I CA 0.486 61.822 61.300 0.059 0.000 1.419 318 I CB 0.666 38.779 38.000 0.189 0.000 1.394 318 I HN 0.144 nan 8.210 nan 0.000 0.562 319 Q N 5.439 125.195 119.800 -0.073 0.000 2.305 319 Q HA 0.512 4.851 4.340 -0.001 0.000 0.271 319 Q C -1.375 174.549 176.000 -0.127 0.000 1.046 319 Q CA -0.772 54.974 55.803 -0.094 0.000 0.798 319 Q CB 3.131 31.792 28.738 -0.128 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.362 123.205 119.914 -0.118 0.000 2.311 320 V HA 0.293 4.413 4.120 -0.001 0.000 0.275 320 V C -0.392 175.552 176.094 -0.251 0.000 1.022 320 V CA -0.708 61.492 62.300 -0.168 0.000 0.830 320 V CB 0.894 32.667 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.267 124.369 120.400 -0.496 0.000 2.183 321 K HA 0.497 4.816 4.320 -0.001 0.000 0.274 321 K C -0.120 176.232 176.600 -0.415 0.000 1.009 321 K CA -0.492 55.488 56.287 -0.510 0.000 0.888 321 K CB 2.202 34.261 32.500 -0.735 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.520 120.632 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.771 4.350 -0.001 0.000 0.275 322 E C -0.753 175.878 176.600 0.052 0.000 0.941 322 E CA -0.995 55.393 56.400 -0.020 0.000 0.784 322 E CB 1.873 31.572 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.762 122.744 119.914 0.115 0.000 2.630 323 V HA 0.751 4.870 4.120 -0.001 0.000 0.305 323 V C -0.908 175.229 176.094 0.071 0.000 1.046 323 V CA -0.017 62.350 62.300 0.111 0.000 0.934 323 V CB 1.926 33.836 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.066 117.651 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.946 173.770 174.700 0.028 0.000 0.993 324 T CA -0.732 61.391 62.100 0.039 0.000 0.975 324 T CB 1.574 70.462 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.133 122.946 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.744 4.340 -0.001 0.000 0.234 325 Q C 0.842 176.849 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.622 29.365 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.383 120.089 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.637 175.510 0.006 0.000 1.050 326 N CA 1.215 54.270 53.050 0.009 0.000 0.848 326 N CB 0.353 38.846 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.368 119.034 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.321 176.300 0.001 0.000 1.573 327 D CA 0.612 54.613 54.000 0.002 0.000 1.197 327 D CB -0.373 40.428 40.800 0.002 0.000 1.041 327 D HN 0.276 nan 8.370 nan 0.000 0.304 328 G N -0.094 108.706 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.206 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.206 3.960 -0.001 0.000 0.291 328 G C -0.293 174.605 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.220 nan 8.290 nan 0.000 0.493 329 T N 0.660 115.214 114.554 0.000 0.000 2.881 329 T HA 0.504 4.853 4.350 -0.001 0.000 0.291 329 T C -0.152 174.551 174.700 0.004 0.000 0.990 329 T CA -0.293 61.807 62.100 0.001 0.000 0.976 329 T CB 1.089 69.958 68.868 0.002 0.000 0.970 329 T HN 0.108 nan 8.240 nan 0.000 0.438 330 T N 2.747 117.302 114.554 0.003 0.000 2.723 330 T HA 0.511 4.861 4.350 -0.001 0.000 0.297 330 T C 0.477 175.186 174.700 0.015 0.000 0.925 330 T CA -0.774 61.331 62.100 0.008 0.000 1.030 330 T CB 0.221 69.090 68.868 0.000 0.000 0.905 330 T HN 0.728 nan 8.240 nan 0.000 0.502 331 T N 1.903 116.470 114.554 0.022 0.000 2.795 331 T HA 0.691 5.041 4.350 -0.001 0.000 0.282 331 T C -0.063 174.662 174.700 0.042 0.000 0.980 331 T CA -0.957 61.158 62.100 0.026 0.000 1.012 331 T CB 0.575 69.455 68.868 0.020 0.000 0.936 331 T HN 0.636 nan 8.240 nan 0.000 0.457 332 I N 1.989 122.588 120.570 0.048 0.000 2.433 332 I HA 0.731 4.901 4.170 -0.001 0.000 0.292 332 I C 0.219 176.357 176.117 0.034 0.000 1.001 332 I CA -1.044 60.298 61.300 0.071 0.000 1.119 332 I CB 1.678 39.753 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.124 127.951 122.820 0.012 0.000 2.525 333 A HA 0.665 4.984 4.320 -0.001 0.000 0.291 333 A C -1.221 176.338 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.386 20.384 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.007 120.684 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.994 4.740 -0.001 0.000 0.266 334 N C -1.267 174.219 175.510 -0.040 0.000 1.007 334 N CA -0.185 52.834 53.050 -0.052 0.000 0.941 334 N CB 1.247 39.711 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.800 122.469 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.048 176.542 175.510 -0.028 0.000 1.123 335 N CA -0.268 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.162 38.630 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.539 121.751 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 336 L C 2.001 178.870 176.870 -0.002 0.000 1.077 336 L CA 1.531 56.365 54.840 -0.010 0.000 0.747 336 L CB -0.754 41.302 42.059 -0.005 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.966 110.587 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.339 4.350 -0.001 0.000 0.257 337 T C 0.816 175.517 174.700 0.002 0.000 1.162 337 T CA 0.016 62.117 62.100 0.003 0.000 1.051 337 T CB -0.102 68.768 68.868 0.004 0.000 0.953 337 T HN 0.118 nan 8.240 nan 0.000 0.535 338 S N 1.595 117.293 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.069 4.470 -0.001 0.000 0.277 338 S C 0.236 174.838 174.600 0.003 0.000 1.234 338 S CA -0.573 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.068 64.259 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.046 114.601 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.580 174.128 174.700 0.014 0.000 1.054 339 T CA -0.767 61.344 62.100 0.019 0.000 1.015 339 T CB 1.347 70.229 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.189 120.126 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.648 174.469 176.094 0.039 0.000 1.115 340 V CA -0.829 61.487 62.300 0.027 0.000 0.998 340 V CB 2.267 34.136 31.823 0.077 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.226 123.033 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.567 174.567 176.000 0.223 0.000 1.022 341 Q CA -0.643 55.231 55.803 0.119 0.000 0.796 341 Q CB 2.537 31.358 28.738 0.139 0.000 1.271 341 Q HN 0.565 nan 8.270 nan 0.000 0.450 342 V N 2.986 122.995 119.914 0.159 0.000 2.823 342 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 342 V C -0.770 175.352 176.094 0.047 0.000 1.072 342 V CA -0.900 61.367 62.300 -0.055 0.000 0.937 342 V CB 1.400 32.863 31.823 -0.599 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.307 120.093 119.950 -0.274 0.000 2.703 343 F HA 0.727 5.254 4.527 -0.001 0.000 0.308 343 F C -0.905 174.681 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.232 58.000 -0.234 0.000 0.959 343 F CB 1.850 40.744 39.000 -0.177 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.507 115.906 114.554 -0.259 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.158 173.336 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.522 0.000 0.954 344 T CB 0.582 69.020 68.868 -0.717 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.598 123.711 120.400 -0.479 0.000 2.441 345 D HA 0.221 4.861 4.640 -0.001 0.000 0.243 345 D C 0.820 176.867 176.300 -0.422 0.000 1.257 345 D CA 0.105 53.901 54.000 -0.338 0.000 1.027 345 D CB 0.119 40.676 40.800 -0.405 0.000 1.084 345 D HN 0.449 nan 8.370 nan 0.000 0.514 346 S N 2.298 117.808 115.700 -0.317 0.000 2.503 346 S HA 0.002 4.472 4.470 -0.001 0.000 0.215 346 S C 1.321 175.680 174.600 -0.402 0.000 1.003 346 S CA -0.078 57.884 58.200 -0.397 0.000 0.910 346 S CB 0.210 63.339 63.200 -0.119 0.000 0.790 346 S HN 0.544 nan 8.310 nan 0.000 0.514 347 E N 0.460 120.548 120.200 -0.185 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.814 175.837 176.600 0.085 0.000 1.057 347 E CA -0.193 56.196 56.400 -0.019 0.000 0.866 347 E CB -0.125 29.595 29.700 0.034 0.000 0.916 347 E HN 0.544 nan 8.360 nan 0.000 0.500 348 Y N 0.392 120.709 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.247 4.550 -0.001 0.000 0.202 348 Y C 1.058 176.946 175.900 -0.021 0.000 1.322 348 Y CA 0.323 58.425 58.100 0.003 0.000 1.118 348 Y CB -2.259 36.203 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.248 119.593 119.800 0.069 0.000 2.378 349 Q HA 0.265 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.362 176.245 176.000 -0.196 0.000 0.892 349 Q CA 0.091 55.907 55.803 0.022 0.000 0.931 349 Q CB 0.699 29.526 28.738 0.148 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.411 123.484 121.223 -0.251 0.000 2.312 350 L HA 0.354 4.694 4.340 -0.001 0.000 0.281 350 L C -2.208 174.520 176.870 -0.238 0.000 1.070 350 L CA -2.318 52.245 54.840 -0.461 0.000 0.805 350 L CB 0.889 42.613 42.059 -0.558 0.000 1.174 350 L HN -0.167 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.037 176.320 177.300 0.096 0.000 1.172 351 P CA 0.232 63.336 63.100 0.006 0.000 0.762 351 P CB -0.023 31.717 31.700 0.065 0.000 0.764 352 Y N 3.961 124.271 120.300 0.016 0.000 2.531 352 Y HA 0.114 4.663 4.550 -0.001 0.000 0.347 352 Y C 1.293 177.197 175.900 0.007 0.000 1.024 352 Y CA 0.410 58.522 58.100 0.021 0.000 1.306 352 Y CB 0.447 38.941 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.994 126.742 119.914 -0.276 0.000 3.621 353 V HA 0.157 4.277 4.120 -0.001 0.000 0.285 353 V C 0.459 176.363 176.094 -0.317 0.000 1.346 353 V CA 0.219 62.364 62.300 -0.259 0.000 1.104 353 V CB -0.470 31.123 31.823 -0.383 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.115 121.030 121.223 -0.513 0.000 2.468 354 L HA 0.568 4.908 4.340 -0.001 0.000 0.254 354 L C 1.460 178.285 176.870 -0.075 0.000 1.171 354 L CA 0.515 55.138 54.840 -0.361 0.000 0.809 354 L CB 0.222 41.967 42.059 -0.524 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.499 109.233 108.800 -0.110 0.000 2.198 355 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G C 0.383 175.291 174.900 0.013 0.000 1.042 355 G CA 0.373 45.433 45.100 -0.067 0.000 0.791 355 G HN 0.537 nan 8.290 nan 0.000 0.502 356 S N -0.548 115.175 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.455 175.977 174.600 -0.129 0.000 1.033 356 S CA 1.026 59.239 58.200 0.021 0.000 1.038 356 S CB 0.675 63.967 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.511 124.291 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.261 357 A C 0.331 177.862 177.584 -0.089 0.000 1.351 357 A CA 0.883 52.879 52.037 -0.068 0.000 0.904 357 A CB -2.280 16.674 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.096 119.161 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.852 4.556 -0.001 0.000 0.373 358 H C 0.945 176.293 175.328 0.034 0.000 1.226 358 H CA 0.857 56.913 56.048 0.014 0.000 1.435 358 H CB 0.364 30.141 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.871 119.040 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.583 176.645 176.000 0.103 0.000 0.970 359 Q CA -0.291 55.586 55.803 0.123 0.000 0.919 359 Q CB 1.680 30.480 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.496 108.347 108.800 0.072 0.000 2.159 360 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.170 360 G C 0.221 175.098 174.900 -0.040 0.000 1.007 360 G CA -0.372 44.749 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.267 119.548 119.300 -0.033 0.000 2.827 361 C HA 0.558 5.017 4.460 -0.001 0.000 0.287 361 C C 1.609 176.423 174.990 -0.294 0.000 1.497 361 C CA -0.344 58.617 59.018 -0.095 0.000 2.161 361 C CB -0.328 27.387 27.740 -0.042 0.000 2.120 361 C HN 0.493 nan 8.230 nan 0.000 0.676 362 L N 2.148 123.220 121.223 -0.252 0.000 2.380 362 L HA 0.260 4.599 4.340 -0.001 0.000 0.273 362 L C -2.116 174.720 176.870 -0.057 0.000 1.138 362 L CA -1.238 53.395 54.840 -0.344 0.000 0.832 362 L CB 0.028 41.988 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.038 nan 4.420 nan 0.000 0.265 363 P C -2.062 175.337 177.300 0.166 0.000 1.193 363 P CA -0.904 62.284 63.100 0.145 0.000 0.765 363 P CB 0.211 32.029 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.256 177.538 177.300 -0.031 0.000 1.157 364 P CA 1.160 64.324 63.100 0.106 0.000 0.868 364 P CB -0.046 31.591 31.700 -0.105 0.000 0.788 365 F N 0.108 119.862 119.950 -0.326 0.000 2.420 365 F HA 0.246 4.772 4.527 -0.001 0.000 0.352 365 F C -1.628 174.125 175.800 -0.078 0.000 1.108 365 F CA -2.863 54.893 58.000 -0.405 0.000 1.162 365 F CB 0.788 39.480 39.000 -0.515 0.000 1.118 365 F HN -0.092 nan 8.300 nan 0.000 0.510 366 P HA -0.157 nan 4.420 nan 0.000 0.216 366 P C 1.024 178.291 177.300 -0.054 0.000 1.150 366 P CA 1.924 64.919 63.100 -0.174 0.000 0.837 366 P CB 0.061 31.652 31.700 -0.182 0.000 0.786 367 A N -1.141 121.488 122.820 -0.318 0.000 2.119 367 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 367 A C 0.758 178.447 177.584 0.175 0.000 1.153 367 A CA 0.772 52.798 52.037 -0.017 0.000 0.692 367 A CB -1.011 18.037 19.000 0.080 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.418 120.134 120.400 0.253 0.000 2.345 368 D HA 0.417 5.056 4.640 -0.001 0.000 0.247 368 D C -0.208 176.248 176.300 0.260 0.000 1.108 368 D CA 0.163 54.320 54.000 0.261 0.000 0.894 368 D CB 1.396 42.366 40.800 0.283 0.000 1.203 368 D HN -0.016 nan 8.370 nan 0.000 0.430 369 V N 2.511 122.557 119.914 0.220 0.000 2.612 369 V HA 0.560 4.680 4.120 -0.001 0.000 0.301 369 V C -0.131 176.126 176.094 0.271 0.000 1.046 369 V CA -0.745 61.680 62.300 0.208 0.000 0.946 369 V CB 0.955 32.828 31.823 0.082 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.930 121.965 119.950 0.141 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.529 175.350 175.800 0.132 0.000 1.060 370 F CA -1.331 56.748 58.000 0.133 0.000 0.940 370 F CB 1.990 41.079 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.554 123.252 119.600 0.163 0.000 2.209 371 M HA 0.507 4.986 4.480 -0.001 0.000 0.355 371 M C -1.338 175.045 176.300 0.139 0.000 1.171 371 M CA -0.850 54.482 55.300 0.054 0.000 1.069 371 M CB 1.459 34.103 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.281 128.196 119.914 0.001 0.000 2.439 372 V HA 0.192 4.312 4.120 -0.001 0.000 0.271 372 V C -1.995 174.026 176.094 -0.122 0.000 1.040 372 V CA -1.158 61.085 62.300 -0.095 0.000 1.002 372 V CB 0.148 31.763 31.823 -0.347 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.065 nan 4.420 nan 0.000 0.271 373 P C -0.565 176.337 177.300 -0.662 0.000 1.238 373 P CA -0.161 62.654 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.713 31.700 -0.782 0.000 0.959 374 Q N 0.230 119.646 119.800 -0.640 0.000 2.266 374 Q HA 0.286 4.625 4.340 -0.001 0.000 0.261 374 Q C -1.406 174.598 176.000 0.008 0.000 0.985 374 Q CA -0.828 54.551 55.803 -0.707 0.000 0.873 374 Q CB 0.680 28.701 28.738 -1.195 0.000 1.306 374 Q HN 0.362 nan 8.270 nan 0.000 0.447 375 Y N 1.360 121.671 120.300 0.017 0.000 2.336 375 Y HA 0.553 5.103 4.550 -0.001 0.000 0.335 375 Y C -0.290 175.651 175.900 0.069 0.000 1.046 375 Y CA 0.255 58.407 58.100 0.086 0.000 1.198 375 Y CB 1.150 39.662 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.807 114.306 108.800 -0.501 0.000 2.731 376 G HA2 0.491 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.491 4.451 3.960 -0.001 0.000 0.298 376 G C -2.244 172.404 174.900 -0.420 0.000 1.424 376 G CA -0.803 44.091 45.100 -0.344 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.110 120.006 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.924 175.002 175.900 0.043 0.000 1.036 377 Y CA -1.635 56.364 58.100 -0.168 0.000 1.065 377 Y CB 1.591 39.993 38.460 -0.096 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.395 122.736 121.223 0.197 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.442 176.621 176.870 0.323 0.000 1.010 378 L CA -0.744 54.208 54.840 0.186 0.000 0.813 378 L CB 2.480 44.643 42.059 0.173 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.006 114.743 114.554 0.306 0.000 2.812 379 T HA 0.356 4.705 4.350 -0.001 0.000 0.294 379 T C -1.044 173.822 174.700 0.277 0.000 1.159 379 T CA -0.715 61.589 62.100 0.340 0.000 1.008 379 T CB 1.602 70.723 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.324 124.685 121.223 0.229 0.000 2.540 380 L HA 0.352 4.692 4.340 -0.001 0.000 0.276 380 L C -0.087 176.865 176.870 0.138 0.000 1.212 380 L CA 0.390 55.328 54.840 0.163 0.000 0.893 380 L CB -0.691 41.442 42.059 0.125 0.000 1.138 380 L HN 0.900 nan 8.230 nan 0.000 0.491 381 N N 1.696 120.459 118.700 0.104 0.000 2.329 381 N HA 0.336 5.076 4.740 -0.001 0.000 0.282 381 N C -1.272 174.241 175.510 0.005 0.000 1.198 381 N CA -0.803 52.273 53.050 0.043 0.000 0.790 381 N CB 0.952 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.832 119.493 118.700 -0.065 0.000 3.044 382 N HA 0.393 5.132 4.740 -0.001 0.000 0.254 382 N C 0.553 175.984 175.510 -0.131 0.000 1.253 382 N CA 0.875 53.882 53.050 -0.072 0.000 0.944 382 N CB -0.226 38.214 38.487 -0.078 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.833 110.547 108.800 -0.143 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.828 175.508 174.900 -0.366 0.000 1.153 383 G CA 0.497 45.359 45.100 -0.396 0.000 0.954 383 G HN 0.719 nan 8.290 nan 0.000 0.552 384 S N 0.386 115.836 115.700 -0.417 0.000 2.496 384 S HA 0.287 4.756 4.470 -0.001 0.000 0.224 384 S C 1.107 175.630 174.600 -0.128 0.000 0.996 384 S CA 1.462 59.585 58.200 -0.129 0.000 0.927 384 S CB 0.163 63.330 63.200 -0.055 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.489 120.168 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.463 175.290 176.000 -0.411 0.000 0.983 385 Q CA -0.513 55.116 55.803 -0.290 0.000 0.950 385 Q CB 1.329 29.935 28.738 -0.220 0.000 1.176 385 Q HN 0.472 nan 8.270 nan 0.000 0.510 386 A N 0.304 122.765 122.820 -0.599 0.000 2.350 386 A HA 0.694 5.014 4.320 -0.001 0.000 0.318 386 A C -0.791 176.623 177.584 -0.284 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.074 19.415 19.000 -1.097 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.067 119.888 119.914 -0.154 0.000 3.109 387 V HA 0.495 4.615 4.120 -0.001 0.000 0.317 387 V C 1.750 177.811 176.094 -0.055 0.000 1.074 387 V CA 0.299 62.551 62.300 -0.080 0.000 1.033 387 V CB 1.316 33.122 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.322 109.102 108.800 -0.033 0.000 2.509 388 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.218 388 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.218 388 G C 1.260 176.167 174.900 0.011 0.000 1.124 388 G CA 0.161 45.252 45.100 -0.014 0.000 0.776 388 G HN 0.653 nan 8.290 nan 0.000 0.547 389 R N 0.514 121.026 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.591 176.930 176.300 0.066 0.000 0.933 389 R CA -0.178 55.947 56.100 0.041 0.000 1.054 389 R CB 0.165 30.491 30.300 0.043 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.387 116.132 115.700 0.074 0.000 2.589 390 S HA 0.150 4.620 4.470 -0.001 0.000 0.265 390 S C 0.173 174.845 174.600 0.119 0.000 1.342 390 S CA -0.043 58.237 58.200 0.134 0.000 1.005 390 S CB 1.292 64.597 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.206 116.984 115.700 0.129 0.000 2.532 391 S HA 0.538 5.007 4.470 -0.001 0.000 0.299 391 S C -1.181 173.322 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.098 0.000 1.018 391 S CB 0.869 63.931 63.200 -0.231 0.000 1.021 391 S HN 0.527 nan 8.310 nan 0.000 0.483 392 F N 3.888 123.574 119.950 -0.439 0.000 2.427 392 F HA 0.620 5.146 4.527 -0.001 0.000 0.346 392 F C -1.537 173.940 175.800 -0.538 0.000 1.120 392 F CA -1.251 56.463 58.000 -0.476 0.000 1.033 392 F CB 0.449 39.190 39.000 -0.432 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.222 125.184 120.300 -0.564 0.000 2.341 393 Y HA 0.458 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.284 175.141 175.900 -0.792 0.000 0.965 393 Y CA -0.953 56.797 58.100 -0.582 0.000 1.108 393 Y CB 1.672 39.876 38.460 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.951 124.948 119.300 -0.504 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.823 175.823 174.990 0.017 0.000 1.270 394 C CA -0.731 58.004 59.018 -0.473 0.000 1.559 394 C CB -0.969 26.470 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.389 125.689 121.223 0.129 0.000 2.622 395 L HA 0.097 4.436 4.340 -0.001 0.000 0.233 395 L C 2.229 179.137 176.870 0.062 0.000 1.156 395 L CA 1.299 56.098 54.840 -0.069 0.000 0.866 395 L CB -0.467 41.178 42.059 -0.689 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.641 118.748 120.200 0.316 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.348 178.043 176.600 0.159 0.000 1.012 396 E CA 0.518 57.109 56.400 0.318 0.000 0.860 396 E CB -0.090 29.828 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.075 120.217 120.300 -0.014 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.299 175.390 175.900 -0.353 0.000 1.202 397 Y CA -0.136 57.870 58.100 -0.156 0.000 1.282 397 Y CB -0.033 38.308 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.336 121.030 119.950 -0.425 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.057 173.376 175.800 -0.612 0.000 1.113 398 F CA -3.116 54.475 58.000 -0.682 0.000 1.022 398 F CB 0.753 38.958 39.000 -1.326 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.122 nan 4.420 nan 0.000 0.262 399 P C -0.974 176.249 177.300 -0.128 0.000 1.199 399 P CA -0.001 62.990 63.100 -0.182 0.000 0.763 399 P CB 0.536 32.156 31.700 -0.134 0.000 0.790 400 S N 1.836 117.525 115.700 -0.019 0.000 2.548 400 S HA 0.398 4.867 4.470 -0.001 0.000 0.286 400 S C -0.812 173.885 174.600 0.162 0.000 1.098 400 S CA -0.992 57.290 58.200 0.137 0.000 0.930 400 S CB 1.683 65.048 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.955 121.881 119.800 0.210 0.000 2.279 401 Q HA 0.414 4.754 4.340 -0.001 0.000 0.256 401 Q C -1.006 175.097 176.000 0.172 0.000 0.937 401 Q CA -0.269 55.652 55.803 0.197 0.000 0.933 401 Q CB 0.584 29.494 28.738 0.286 0.000 1.189 401 Q HN 0.748 nan 8.270 nan 0.000 0.417 402 M N 4.299 123.979 119.600 0.133 0.000 2.209 402 M HA 0.340 4.819 4.480 -0.001 0.000 0.355 402 M C -1.182 175.183 176.300 0.108 0.000 1.171 402 M CA -0.678 54.686 55.300 0.107 0.000 1.069 402 M CB 0.984 33.630 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.647 123.934 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.177 176.747 176.870 0.090 0.000 0.998 403 L CA -0.357 54.552 54.840 0.115 0.000 0.820 403 L CB 1.763 43.914 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.102 120.445 120.500 0.079 0.000 2.606 404 R HA 0.650 4.990 4.340 -0.001 0.000 0.249 404 R C -0.525 175.817 176.300 0.069 0.000 1.127 404 R CA -0.538 55.599 56.100 0.060 0.000 1.133 404 R CB 1.017 31.345 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.813 115.397 114.554 0.050 0.000 2.784 405 T HA 0.336 4.685 4.350 -0.001 0.000 0.291 405 T C 0.786 175.521 174.700 0.058 0.000 0.942 405 T CA 0.952 63.082 62.100 0.050 0.000 1.161 405 T CB 0.520 69.403 68.868 0.026 0.000 0.885 405 T HN 0.784 nan 8.240 nan 0.000 0.534 406 G N 3.554 112.401 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.018 174.974 174.900 0.094 0.000 0.997 406 G CA -0.794 44.353 45.100 0.079 0.000 0.652 406 G HN 0.600 nan 8.290 nan 0.000 0.500 407 N N 1.653 120.419 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.135 175.480 175.510 0.175 0.000 1.144 407 N CA -0.122 53.005 53.050 0.127 0.000 0.978 407 N CB 1.161 39.723 38.487 0.125 0.000 1.180 407 N HN 0.682 nan 8.380 nan 0.000 0.484 408 N N -0.345 118.467 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.759 173.922 175.510 0.285 0.000 1.291 408 N CA -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.328 39.941 38.487 0.210 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.012 120.031 119.950 0.156 0.000 2.520 409 F HA 0.531 5.058 4.527 -0.000 0.000 0.322 409 F C -0.691 175.210 175.800 0.167 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.031 41.136 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.115 124.546 119.800 -0.614 0.000 2.375 410 Q HA 0.613 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.096 173.675 176.000 -0.382 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.165 30.787 28.738 -0.194 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.053 120.872 119.950 -0.219 0.000 2.622 411 F HA 0.598 5.125 4.527 -0.001 0.000 0.318 411 F C -1.528 174.262 175.800 -0.016 0.000 1.135 411 F CA -0.251 57.679 58.000 -0.116 0.000 1.015 411 F CB 1.678 40.682 39.000 0.006 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.181 120.373 115.700 -0.847 0.000 2.500 412 S HA 0.561 5.031 4.470 -0.001 0.000 0.301 412 S C -1.892 172.187 174.600 -0.868 0.000 1.092 412 S CA -0.555 57.244 58.200 -0.669 0.000 1.030 412 S CB 1.667 64.644 63.200 -0.372 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.351 121.223 120.300 -0.714 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.960 174.672 175.900 -0.446 0.000 1.002 413 Y CA -0.470 57.277 58.100 -0.589 0.000 1.039 413 Y CB 1.801 39.957 38.460 -0.506 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.311 120.090 114.554 -1.293 0.000 2.864 414 T HA 0.380 4.730 4.350 -0.001 0.000 0.299 414 T C -0.877 173.109 174.700 -1.190 0.000 1.011 414 T CA -0.431 61.098 62.100 -0.952 0.000 0.975 414 T CB -0.086 68.473 68.868 -0.515 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.973 122.470 119.950 -0.755 0.000 2.595 415 F HA 0.138 4.664 4.527 -0.001 0.000 0.359 415 F C 1.627 177.238 175.800 -0.314 0.000 1.147 415 F CA -0.200 57.543 58.000 -0.429 0.000 1.341 415 F CB 0.603 39.437 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.654 120.864 120.200 0.018 0.000 2.622 416 E HA 0.175 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.396 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.410 56.400 -0.017 0.000 1.011 416 E CB 0.345 30.066 29.700 0.035 0.000 1.173 416 E HN 0.356 nan 8.360 nan 0.000 0.601 417 D N 0.474 120.851 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.866 4.640 -0.001 0.000 0.258 417 D C -1.138 175.133 176.300 -0.049 0.000 1.223 417 D CA 0.122 54.089 54.000 -0.055 0.000 0.886 417 D CB 1.195 41.976 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.565 124.420 119.914 -0.099 0.000 2.668 418 V HA 0.397 4.517 4.120 -0.001 0.000 0.304 418 V C -2.560 173.500 176.094 -0.058 0.000 1.071 418 V CA -2.218 60.052 62.300 -0.050 0.000 0.894 418 V CB 2.154 33.960 31.823 -0.028 0.000 1.008 418 V HN 0.342 nan 8.190 nan 0.000 0.425 419 P HA 0.076 nan 4.420 nan 0.000 0.263 419 P C -0.437 176.995 177.300 0.219 0.000 1.175 419 P CA 0.397 63.579 63.100 0.137 0.000 0.761 419 P CB 0.008 31.791 31.700 0.139 0.000 0.794 420 F N 1.343 121.386 119.950 0.154 0.000 2.628 420 F HA -0.016 4.510 4.527 -0.001 0.000 0.362 420 F C 1.751 177.666 175.800 0.191 0.000 1.148 420 F CA 0.656 58.766 58.000 0.184 0.000 1.352 420 F CB -0.094 38.990 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.656 119.832 119.070 0.175 0.000 2.607 421 H HA 0.258 4.814 4.556 -0.001 0.000 0.367 421 H C -0.380 174.953 175.328 0.008 0.000 1.181 421 H CA -0.554 55.442 56.048 -0.086 0.000 1.402 421 H CB 0.760 30.229 29.762 -0.488 0.000 1.474 421 H HN 0.450 nan 8.280 nan 0.000 0.596 422 S N 2.757 117.846 115.700 -1.019 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.201 174.383 174.600 -0.697 0.000 1.137 422 S CA -0.366 57.349 58.200 -0.807 0.000 1.045 422 S CB 0.053 62.632 63.200 -1.034 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.735 118.372 115.700 -0.104 0.000 2.763 423 S HA 0.202 4.672 4.470 -0.001 0.000 0.237 423 S C -0.065 174.593 174.600 0.097 0.000 0.966 423 S CA -0.444 57.813 58.200 0.095 0.000 1.017 423 S CB -0.591 62.785 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.587 118.594 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.768 174.915 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.780 38.835 38.460 -0.674 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.248 123.935 122.820 -0.222 0.000 2.422 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.542 175.928 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.958 52.037 -0.283 0.000 0.708 425 A CB 0.705 19.615 19.000 -0.149 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.988 121.055 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.682 4.556 -0.001 0.000 0.330 426 H C 1.251 176.574 175.328 -0.008 0.000 1.057 426 H CA 0.922 56.971 56.048 0.001 0.000 1.458 426 H CB 1.184 30.940 29.762 -0.009 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.030 117.792 115.700 0.103 0.000 2.528 427 S HA 0.027 4.496 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.062 0.000 0.985 427 S CA -0.092 58.149 58.200 0.069 0.000 0.914 427 S CB 0.558 63.794 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.657 120.498 119.800 0.068 0.000 2.252 428 Q HA 0.657 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.857 175.152 176.000 0.014 0.000 1.020 428 Q CA -0.628 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.855 30.600 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.464 115.231 115.700 -0.007 0.000 2.638 429 S HA 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.716 175.297 174.600 -0.032 0.000 1.096 429 S CA -0.610 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.893 64.088 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.453 122.655 121.223 -0.035 0.000 2.017 430 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 430 L C 2.019 178.901 176.870 0.020 0.000 1.073 430 L CA 1.891 56.727 54.840 -0.007 0.000 0.745 430 L CB -0.343 41.721 42.059 0.007 0.000 0.894 430 L HN 0.827 nan 8.230 nan 0.000 0.432 431 D N -1.169 119.230 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.949 177.241 176.300 -0.012 0.000 0.966 431 D CA 0.384 54.378 54.000 -0.009 0.000 0.868 431 D CB -0.066 40.718 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.979 121.473 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.730 177.029 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.838 56.100 -0.008 0.000 1.355 432 R CB 0.341 30.637 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.410 121.637 121.223 0.006 0.000 2.575 433 L HA 0.197 4.537 4.340 -0.001 0.000 0.228 433 L C 0.438 177.317 176.870 0.015 0.000 1.075 433 L CA 0.761 55.611 54.840 0.016 0.000 0.867 433 L CB 0.157 42.242 42.059 0.044 0.000 1.097 433 L HN 0.158 nan 8.230 nan 0.000 0.485 434 M N -0.720 118.881 119.600 0.002 0.000 1.801 434 M HA 0.216 4.696 4.480 -0.001 0.000 0.198 434 M C 0.444 176.738 176.300 -0.010 0.000 1.248 434 M CA -0.060 55.235 55.300 -0.009 0.000 0.893 434 M CB -0.817 31.764 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.476 119.166 118.700 -0.017 0.000 2.422 435 N HA 0.348 5.087 4.740 -0.001 0.000 0.266 435 N C -2.213 173.288 175.510 -0.015 0.000 1.007 435 N CA -1.678 51.364 53.050 -0.012 0.000 0.941 435 N CB 1.055 39.536 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.010 nan 4.420 nan 0.000 0.225 436 P C 0.902 178.197 177.300 -0.009 0.000 1.148 436 P CA 0.641 63.735 63.100 -0.010 0.000 0.779 436 P CB 0.552 32.249 31.700 -0.006 0.000 0.780 437 L N -2.036 119.183 121.223 -0.007 0.000 2.316 437 L HA 0.126 4.466 4.340 -0.001 0.000 0.207 437 L C 1.084 177.951 176.870 -0.004 0.000 1.070 437 L CA 0.758 55.595 54.840 -0.005 0.000 0.820 437 L CB -0.422 41.635 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.412 120.154 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.512 175.593 176.117 -0.020 0.000 0.986 438 I CA -0.833 60.464 61.300 -0.006 0.000 1.189 438 I CB 1.007 39.008 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.941 123.330 120.400 -0.019 0.000 2.253 439 D HA 0.359 4.998 4.640 -0.001 0.000 0.249 439 D C 0.060 176.319 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.573 54.000 -0.039 0.000 0.929 439 D CB 0.770 41.552 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.249 119.977 119.800 -0.120 0.000 2.417 440 Q HA 0.137 4.477 4.340 -0.001 0.000 0.241 440 Q C 0.174 176.065 176.000 -0.181 0.000 1.008 440 Q CA -0.236 55.432 55.803 -0.225 0.000 0.901 440 Q CB 0.637 29.227 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.842 119.424 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.063 175.819 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.043 0.000 1.274 441 Y CB 0.296 38.762 38.460 0.010 0.000 1.097 441 Y HN 0.249 nan 8.280 nan 0.000 0.523 442 L N 0.910 122.099 121.223 -0.057 0.000 2.399 442 L HA 0.370 4.709 4.340 -0.001 0.000 0.265 442 L C -1.021 175.827 176.870 -0.037 0.000 1.089 442 L CA -0.943 53.934 54.840 0.063 0.000 0.802 442 L CB 0.934 42.983 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.511 120.872 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.011 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.595 175.900 0.178 0.000 1.004 443 Y CA -0.573 57.583 58.100 0.093 0.000 1.075 443 Y CB 1.790 40.238 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.378 120.826 120.300 0.246 0.000 2.605 444 Y HA 0.735 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.703 174.400 175.900 0.338 0.000 1.036 444 Y CA -1.752 56.482 58.100 0.223 0.000 1.065 444 Y CB 1.163 39.684 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.883 124.314 121.223 0.347 0.000 2.276 445 L HA 0.404 4.744 4.340 -0.001 0.000 0.286 445 L C 0.007 176.929 176.870 0.087 0.000 1.061 445 L CA -0.166 54.740 54.840 0.109 0.000 0.807 445 L CB 0.884 42.981 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.183 120.851 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.488 175.008 175.510 -0.025 0.000 1.266 446 N CA -0.647 52.432 53.050 0.048 0.000 0.902 446 N CB 0.641 39.202 38.487 0.123 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.966 121.400 120.500 -0.111 0.000 2.502 447 R HA 0.263 4.603 4.340 -0.001 0.000 0.300 447 R C -0.003 176.208 176.300 -0.147 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.479 31.717 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.787 112.708 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 4.350 -0.001 0.000 0.248 448 T C 1.221 175.876 174.700 -0.076 0.000 1.040 448 T CA 0.485 62.528 62.100 -0.096 0.000 1.107 448 T CB 0.405 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.587 nan 8.240 nan 0.000 0.474 449 Q N 0.969 120.734 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.598 177.573 176.000 -0.041 0.000 0.735 449 Q CA -0.013 55.763 55.803 -0.045 0.000 0.904 449 Q CB -0.567 28.152 28.738 -0.032 0.000 1.294 449 Q HN 0.293 nan 8.270 nan 0.000 0.553 450 G N 2.266 111.045 108.800 -0.036 0.000 2.198 450 G HA2 0.195 4.155 3.960 -0.001 0.000 0.280 450 G HA3 0.195 4.155 3.960 -0.001 0.000 0.280 450 G C -0.308 174.573 174.900 -0.032 0.000 0.954 450 G CA 0.767 45.850 45.100 -0.029 0.000 1.281 450 G HN 0.364 nan 8.290 nan 0.000 0.373 451 T N 0.952 115.489 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.027 175.715 174.700 -0.019 0.000 1.046 451 T CA -0.524 61.560 62.100 -0.027 0.000 0.983 451 T CB 0.542 69.393 68.868 -0.028 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.729 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.456 4.350 -0.001 0.000 0.221 452 T C 0.457 175.150 174.700 -0.011 0.000 0.939 452 T CA 0.128 62.221 62.100 -0.011 0.000 1.218 452 T CB -0.788 68.075 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.948 117.642 115.700 -0.011 0.000 2.429 453 S HA 0.482 4.952 4.470 -0.001 0.000 0.292 453 S C 1.147 175.742 174.600 -0.008 0.000 1.183 453 S CA 0.181 58.374 58.200 -0.010 0.000 1.088 453 S CB -0.125 63.069 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.583 112.379 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.120 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.120 3.960 -0.001 0.000 0.143 454 G C -0.295 174.601 174.900 -0.006 0.000 1.261 454 G CA -0.220 44.876 45.100 -0.006 0.000 1.043 454 G HN 0.583 nan 8.290 nan 0.000 0.382 455 T N 2.285 116.835 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.346 175.042 174.700 -0.007 0.000 0.987 455 T CA 0.611 62.708 62.100 -0.006 0.000 0.993 455 T CB 1.347 70.212 68.868 -0.005 0.000 0.939 455 T HN 0.609 nan 8.240 nan 0.000 0.449 456 T N 3.656 118.206 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.147 174.841 174.700 -0.009 0.000 0.761 456 T CA 0.547 62.643 62.100 -0.007 0.000 1.887 456 T CB -1.211 67.653 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.618 120.312 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.412 176.913 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.539 53.050 -0.013 0.000 0.823 457 N CB 1.293 39.772 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.283 120.074 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.253 176.241 176.000 -0.020 0.000 0.975 458 Q CA 0.921 56.715 55.803 -0.015 0.000 0.827 458 Q CB -0.199 28.532 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.842 114.844 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.031 173.547 174.600 -0.037 0.000 1.145 459 S CA -1.038 57.143 58.200 -0.031 0.000 0.852 459 S CB 3.072 66.254 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.067 121.534 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.734 4.340 -0.001 0.000 0.260 460 R C -1.965 174.266 176.300 -0.115 0.000 1.103 460 R CA -0.751 55.309 56.100 -0.066 0.000 0.942 460 R CB 1.055 31.322 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.684 126.825 121.223 -0.137 0.000 2.325 461 L HA 0.392 4.732 4.340 -0.001 0.000 0.284 461 L C -0.468 176.141 176.870 -0.434 0.000 1.089 461 L CA -0.223 54.446 54.840 -0.284 0.000 0.836 461 L CB 0.587 42.524 42.059 -0.204 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.126 125.013 121.223 -0.560 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.828 175.667 176.870 -0.624 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.916 43.851 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.276 120.182 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.381 176.124 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.355 58.000 -0.101 0.000 0.944 463 F CB 2.197 41.165 39.000 -0.053 0.000 1.175 463 F HN 0.261 nan 8.300 nan 0.000 0.468 464 S N 0.669 116.275 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.024 173.385 174.600 -0.318 0.000 1.083 464 S CA -0.868 57.194 58.200 -0.230 0.000 0.995 464 S CB 1.823 64.788 63.200 -0.391 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.116 121.751 119.800 -0.276 0.000 2.288 465 Q HA 0.544 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.227 175.712 176.000 -0.101 0.000 0.957 465 Q CA -0.712 54.718 55.803 -0.622 0.000 0.919 465 Q CB 0.776 29.082 28.738 -0.720 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.395 126.252 122.820 0.063 0.000 2.565 466 A HA 0.460 4.780 4.320 -0.001 0.000 0.237 466 A C 0.329 177.914 177.584 0.002 0.000 1.053 466 A CA 0.775 52.892 52.037 0.134 0.000 0.755 466 A CB 0.092 19.086 19.000 -0.010 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.084 109.894 108.800 0.017 0.000 2.818 467 G HA2 0.597 4.557 3.960 -0.001 0.000 0.286 467 G HA3 0.597 4.557 3.960 -0.001 0.000 0.286 467 G C -2.404 172.485 174.900 -0.018 0.000 1.364 467 G CA -1.026 44.070 45.100 -0.007 0.000 0.938 467 G HN 0.302 nan 8.290 nan 0.000 0.490 468 P HA -0.054 nan 4.420 nan 0.000 0.222 468 P C 1.512 178.804 177.300 -0.013 0.000 1.147 468 P CA 1.065 64.154 63.100 -0.018 0.000 0.790 468 P CB 0.308 32.001 31.700 -0.012 0.000 0.780 469 Q N -0.335 119.463 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.081 177.083 176.000 0.002 0.000 0.964 469 Q CA 1.325 57.131 55.803 0.005 0.000 0.838 469 Q CB -0.471 28.277 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.021 115.682 115.700 0.005 0.000 3.983 470 S HA 0.218 4.687 4.470 -0.001 0.000 0.194 470 S C 0.838 175.386 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.874 58.200 -0.023 0.000 1.021 470 S CB 0.147 63.367 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.343 121.903 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.419 4.480 -0.001 0.000 0.264 471 M C 1.821 178.066 176.300 -0.093 0.000 1.067 471 M CA 1.568 56.826 55.300 -0.071 0.000 1.131 471 M CB -0.063 32.511 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.732 114.912 115.700 -0.092 0.000 2.679 472 S HA 0.209 4.679 4.470 -0.001 0.000 0.233 472 S C 0.888 175.401 174.600 -0.146 0.000 0.951 472 S CA -0.294 57.847 58.200 -0.098 0.000 0.973 472 S CB -0.387 62.770 63.200 -0.071 0.000 0.778 472 S HN 0.567 nan 8.310 nan 0.000 0.477 473 L N -0.492 120.595 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.649 4.340 -0.001 0.000 0.264 473 L C 0.654 177.223 176.870 -0.502 0.000 1.154 473 L CA -0.234 54.371 54.840 -0.393 0.000 0.972 473 L CB 0.174 41.902 42.059 -0.551 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.193 120.792 119.800 -0.335 0.000 2.432 474 Q HA 0.336 4.676 4.340 -0.001 0.000 0.264 474 Q C 0.507 176.391 176.000 -0.193 0.000 1.035 474 Q CA -0.099 55.547 55.803 -0.262 0.000 0.908 474 Q CB 0.972 29.609 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.922 124.651 122.820 -0.151 0.000 2.520 475 A HA 0.195 4.514 4.320 -0.001 0.000 0.235 475 A C -0.041 177.474 177.584 -0.117 0.000 1.065 475 A CA 0.259 52.228 52.037 -0.114 0.000 0.764 475 A CB 0.304 19.246 19.000 -0.098 0.000 1.002 475 A HN 0.577 nan 8.150 nan 0.000 0.502 476 R N 0.339 120.772 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.229 176.411 176.300 -0.197 0.000 0.979 476 R CA -0.618 55.415 56.100 -0.113 0.000 0.928 476 R CB 1.149 31.407 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.235 118.747 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.022 173.878 175.510 -1.017 0.000 1.116 477 N CA 0.339 52.935 53.050 -0.757 0.000 0.881 477 N CB 0.456 38.333 38.487 -1.018 0.000 1.006 477 N HN 0.369 nan 8.380 nan 0.000 0.491 478 W N 0.080 121.379 121.300 -0.001 0.000 3.083 478 W HA 0.545 5.205 4.660 -0.001 0.000 0.333 478 W C -0.698 175.832 176.519 0.019 0.000 1.217 478 W CA -0.767 56.586 57.345 0.012 0.000 1.170 478 W CB 0.809 30.268 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.021 123.427 121.223 0.305 0.000 2.303 479 L HA 0.652 4.992 4.340 -0.001 0.000 0.266 479 L C -2.142 174.853 176.870 0.208 0.000 1.011 479 L CA -2.725 52.238 54.840 0.204 0.000 0.818 479 L CB 0.532 42.711 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.243 nan 4.420 nan 0.000 0.274 480 P C -0.116 177.343 177.300 0.264 0.000 1.256 480 P CA -0.373 62.828 63.100 0.168 0.000 0.795 480 P CB 0.443 32.193 31.700 0.083 0.000 1.038 481 G N 0.682 109.643 108.800 0.268 0.000 2.667 481 G HA2 0.307 4.266 3.960 -0.001 0.000 0.250 481 G HA3 0.307 4.266 3.960 -0.001 0.000 0.250 481 G C -2.281 172.684 174.900 0.109 0.000 1.212 481 G CA -0.931 44.317 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.209 nan 4.420 nan 0.000 0.273 482 P C 0.106 177.332 177.300 -0.123 0.000 1.258 482 P CA -0.030 62.943 63.100 -0.213 0.000 0.802 482 P CB 0.599 32.063 31.700 -0.394 0.000 1.040 483 C N -1.869 117.338 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.165 4.460 -0.001 0.000 0.325 483 C C -1.719 173.296 174.990 0.041 0.000 1.304 483 C CA -0.721 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.696 28.458 27.740 0.037 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.718 121.975 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.340 176.226 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.511 38.946 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.693 124.076 120.500 -0.195 0.000 2.500 485 R HA 0.016 4.356 4.340 -0.001 0.000 0.281 485 R C -0.475 175.747 176.300 -0.130 0.000 0.953 485 R CA 0.811 56.828 56.100 -0.137 0.000 1.108 485 R CB 0.494 30.701 30.300 -0.155 0.000 0.901 485 R HN 0.608 nan 8.270 nan 0.000 0.410 486 Q N 2.317 122.075 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.828 175.110 176.000 -0.103 0.000 1.045 486 Q CA -0.939 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.833 30.516 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.230 120.964 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.479 4.340 -0.001 0.000 0.254 487 Q C -0.760 175.178 176.000 -0.103 0.000 0.952 487 Q CA 0.148 55.901 55.803 -0.083 0.000 0.884 487 Q CB 0.752 29.487 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.129 123.570 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.758 4.340 -0.001 0.000 0.305 488 R C -1.215 175.045 176.300 -0.066 0.000 1.053 488 R CA -0.383 55.654 56.100 -0.104 0.000 0.957 488 R CB 0.295 30.511 30.300 -0.140 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.081 123.184 121.223 -0.200 0.000 2.354 489 L HA 0.429 4.768 4.340 -0.001 0.000 0.269 489 L C -0.236 176.599 176.870 -0.058 0.000 1.005 489 L CA -0.171 54.534 54.840 -0.225 0.000 0.819 489 L CB 2.040 43.693 42.059 -0.678 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.230 115.993 115.700 0.104 0.000 2.549 490 S HA 0.435 4.904 4.470 -0.001 0.000 0.297 490 S C 0.770 175.452 174.600 0.137 0.000 1.115 490 S CA -0.579 57.637 58.200 0.026 0.000 1.059 490 S CB 1.040 64.211 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.322 121.777 120.400 0.092 0.000 2.288 491 K HA 0.026 4.346 4.320 -0.001 0.000 0.201 491 K C 0.224 176.835 176.600 0.017 0.000 1.048 491 K CA 0.693 57.034 56.287 0.091 0.000 0.956 491 K CB -0.225 32.274 32.500 -0.002 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.870 116.405 114.554 -0.032 0.000 2.738 492 T HA 0.180 4.529 4.350 -0.001 0.000 0.293 492 T C 0.596 175.307 174.700 0.018 0.000 0.913 492 T CA -0.289 61.798 62.100 -0.022 0.000 1.103 492 T CB 1.235 70.073 68.868 -0.050 0.000 0.880 492 T HN 0.146 nan 8.240 nan 0.000 0.526 493 A N 3.890 126.725 122.820 0.025 0.000 2.223 493 A HA 0.046 4.366 4.320 -0.001 0.000 0.222 493 A C 1.612 179.222 177.584 0.043 0.000 1.317 493 A CA 0.098 52.160 52.037 0.041 0.000 0.985 493 A CB -0.672 18.346 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.653 116.072 118.700 0.043 0.000 2.067 494 N HA -0.028 4.711 4.740 -0.001 0.000 0.227 494 N C -0.331 175.213 175.510 0.057 0.000 1.348 494 N CA 0.249 53.326 53.050 0.045 0.000 0.879 494 N CB 0.100 38.605 38.487 0.030 0.000 1.109 494 N HN 0.112 nan 8.380 nan 0.000 0.501 495 D N 1.025 121.466 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.183 176.552 176.300 0.115 0.000 0.962 495 D CA 0.674 54.734 54.000 0.099 0.000 0.865 495 D CB 0.014 40.894 40.800 0.132 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.111 119.884 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.061 175.645 175.510 0.123 0.000 1.227 496 N CA -0.274 52.866 53.050 0.151 0.000 0.963 496 N CB 0.394 39.009 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.857 119.627 118.700 0.116 0.000 2.513 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.268 497 N C -0.260 175.339 175.510 0.148 0.000 1.180 497 N CA 0.233 53.323 53.050 0.066 0.000 0.948 497 N CB 0.087 38.527 38.487 -0.079 0.000 1.083 497 N HN 0.450 nan 8.380 nan 0.000 0.455 498 N N 1.875 120.631 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.038 174.538 175.510 0.110 0.000 1.261 498 N CA -0.165 52.942 53.050 0.095 0.000 1.208 498 N CB -0.122 38.400 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.312 116.124 115.700 0.188 0.000 2.537 499 S HA 0.196 4.666 4.470 -0.001 0.000 0.270 499 S C -0.953 173.835 174.600 0.313 0.000 1.142 499 S CA -1.123 57.202 58.200 0.209 0.000 0.870 499 S CB 1.429 64.733 63.200 0.174 0.000 1.112 499 S HN 0.244 nan 8.310 nan 0.000 0.466 500 N N 1.336 120.148 118.700 0.187 0.000 2.439 500 N HA 0.431 5.170 4.740 -0.001 0.000 0.243 500 N C -0.398 175.208 175.510 0.161 0.000 1.088 500 N CA -0.846 52.259 53.050 0.091 0.000 0.940 500 N CB -0.314 38.199 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.793 121.782 119.950 0.065 0.000 2.805 501 F HA 0.550 5.077 4.527 -0.001 0.000 0.317 501 F C -2.022 173.838 175.800 0.099 0.000 1.146 501 F CA -1.600 56.442 58.000 0.070 0.000 1.265 501 F CB 0.670 39.689 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.036 nan 4.420 nan 0.000 0.249 502 P C 0.617 178.063 177.300 0.244 0.000 1.241 502 P CA 1.006 64.110 63.100 0.007 0.000 0.781 502 P CB -0.093 31.586 31.700 -0.036 0.000 1.088 503 W N -0.522 120.803 121.300 0.042 0.000 3.900 503 W HA 0.028 4.687 4.660 -0.001 0.000 0.186 503 W C 0.504 177.062 176.519 0.066 0.000 1.082 503 W CA 0.664 58.034 57.345 0.042 0.000 1.537 503 W CB 0.018 29.483 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.682 113.936 114.554 0.106 0.000 3.100 504 T HA 0.346 4.696 4.350 -0.001 0.000 0.253 504 T C 1.166 175.865 174.700 -0.001 0.000 1.118 504 T CA 0.954 63.056 62.100 0.003 0.000 1.058 504 T CB 0.365 69.305 68.868 0.120 0.000 0.953 504 T HN 0.084 nan 8.240 nan 0.000 0.515 505 A N 0.206 123.075 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.992 178.624 177.584 0.080 0.000 1.200 505 A CA -0.025 52.060 52.037 0.081 0.000 0.981 505 A CB 0.148 19.237 19.000 0.149 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.294 123.159 122.820 0.074 0.000 2.302 506 A HA 0.630 4.950 4.320 -0.001 0.000 0.285 506 A C 0.364 177.980 177.584 0.054 0.000 1.105 506 A CA -0.183 51.929 52.037 0.124 0.000 0.816 506 A CB 0.252 19.417 19.000 0.275 0.000 1.067 506 A HN 0.298 nan 8.150 nan 0.000 0.489 507 S N 1.390 117.168 115.700 0.130 0.000 2.510 507 S HA 0.381 4.850 4.470 -0.001 0.000 0.279 507 S C -0.008 174.717 174.600 0.208 0.000 1.284 507 S CA -0.161 58.132 58.200 0.156 0.000 1.059 507 S CB 0.000 63.322 63.200 0.203 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.663 122.144 120.400 0.135 0.000 2.509 508 K HA 0.599 4.918 4.320 -0.001 0.000 0.266 508 K C -1.353 175.324 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.344 33.697 32.500 -0.244 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.516 118.815 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 509 Y C -0.693 175.282 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.117 58.100 0.065 0.000 1.121 509 Y CB 1.535 39.983 38.460 -0.019 0.000 1.299 509 Y HN 0.751 nan 8.280 nan 0.000 0.498 510 H N 1.747 120.958 119.070 0.234 0.000 2.865 510 H HA 0.628 5.184 4.556 -0.001 0.000 0.362 510 H C -2.394 173.064 175.328 0.216 0.000 1.114 510 H CA -1.183 54.947 56.048 0.138 0.000 1.208 510 H CB 1.619 31.417 29.762 0.059 0.000 1.727 510 H HN 0.886 nan 8.280 nan 0.000 0.534 511 L N 3.496 124.762 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.543 177.464 176.870 0.085 0.000 0.990 511 L CA -0.850 53.989 54.840 -0.001 0.000 0.821 511 L CB 1.548 43.673 42.059 0.111 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.373 121.107 118.700 0.056 0.000 2.741 512 N HA -0.185 4.554 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 0.166 0.000 1.115 512 N CA 1.332 54.443 53.050 0.101 0.000 0.724 512 N CB -0.613 37.928 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.358 108.628 108.800 0.310 0.000 2.160 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.244 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.244 513 G C -0.146 174.901 174.900 0.244 0.000 1.022 513 G CA 0.524 45.816 45.100 0.320 0.000 0.741 513 G HN 0.722 nan 8.290 nan 0.000 0.508 514 R N 0.496 121.166 120.500 0.285 0.000 2.451 514 R HA 0.370 4.710 4.340 -0.001 0.000 0.307 514 R C -1.137 175.277 176.300 0.190 0.000 0.965 514 R CA -0.842 55.379 56.100 0.202 0.000 0.865 514 R CB 0.763 31.165 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.754 122.255 120.400 0.168 0.000 2.425 515 D HA 0.134 4.774 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.048 0.000 1.147 515 D CA 0.808 54.870 54.000 0.104 0.000 0.879 515 D CB 1.491 42.376 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.526 117.062 115.700 -0.272 0.000 2.571 516 S HA 0.285 4.755 4.470 -0.001 0.000 0.284 516 S C -0.615 173.704 174.600 -0.469 0.000 1.128 516 S CA -0.760 57.202 58.200 -0.397 0.000 0.970 516 S CB 1.800 64.573 63.200 -0.712 0.000 1.039 516 S HN 0.292 nan 8.310 nan 0.000 0.485 517 L N 3.922 125.064 121.223 -0.135 0.000 2.361 517 L HA 0.338 4.678 4.340 -0.001 0.000 0.278 517 L C -0.359 176.472 176.870 -0.066 0.000 1.113 517 L CA 0.108 54.888 54.840 -0.100 0.000 0.849 517 L CB 0.537 42.578 42.059 -0.030 0.000 1.155 517 L HN 0.522 nan 8.230 nan 0.000 0.452 518 V N 6.893 126.840 119.914 0.054 0.000 2.242 518 V HA 0.025 4.144 4.120 -0.001 0.000 0.242 518 V C 1.238 177.421 176.094 0.148 0.000 1.240 518 V CA 0.024 62.441 62.300 0.194 0.000 1.211 518 V CB -0.691 31.287 31.823 0.259 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.359 125.078 118.700 0.033 0.000 2.054 519 N HA 0.010 4.750 4.740 -0.001 0.000 0.193 519 N C -1.814 173.836 175.510 0.233 0.000 1.066 519 N CA 0.797 53.861 53.050 0.023 0.000 0.853 519 N CB -0.425 38.034 38.487 -0.047 0.000 1.048 519 N HN 0.366 nan 8.380 nan 0.000 0.431 520 P HA 0.277 nan 4.420 nan 0.000 0.251 520 P C -0.242 177.136 177.300 0.131 0.000 1.718 520 P CA -0.377 62.810 63.100 0.147 0.000 1.119 520 P CB 0.810 32.575 31.700 0.108 0.000 1.762 521 G N 4.638 113.529 108.800 0.152 0.000 2.479 521 G HA2 0.235 4.194 3.960 -0.001 0.000 0.275 521 G HA3 0.235 4.194 3.960 -0.001 0.000 0.275 521 G C -2.250 172.689 174.900 0.066 0.000 1.421 521 G CA -1.198 43.962 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.205 nan 4.420 nan 0.000 0.269 522 P C -0.182 177.143 177.300 0.042 0.000 1.205 522 P CA 0.273 63.367 63.100 -0.010 0.000 0.780 522 P CB 0.312 31.972 31.700 -0.067 0.000 0.858 523 A N 3.540 126.388 122.820 0.046 0.000 2.473 523 A HA 0.357 4.677 4.320 -0.001 0.000 0.282 523 A C 0.123 177.760 177.584 0.089 0.000 1.163 523 A CA 0.364 52.460 52.037 0.097 0.000 0.827 523 A CB -0.974 18.112 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.065 121.723 119.600 0.096 0.000 2.644 524 M HA 0.587 5.067 4.480 -0.001 0.000 0.304 524 M C 0.234 176.588 176.300 0.090 0.000 1.215 524 M CA -0.545 54.808 55.300 0.089 0.000 0.871 524 M CB 2.242 34.892 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.897 123.759 122.820 0.070 0.000 2.425 525 A HA 0.354 4.674 4.320 -0.001 0.000 0.249 525 A C 0.785 178.414 177.584 0.075 0.000 1.084 525 A CA -0.257 51.811 52.037 0.051 0.000 0.781 525 A CB 0.260 19.263 19.000 0.004 0.000 1.019 525 A HN 0.925 nan 8.150 nan 0.000 0.490 526 S N 0.652 116.418 115.700 0.109 0.000 2.371 526 S HA -0.008 4.461 4.470 -0.001 0.000 0.224 526 S C 0.749 175.513 174.600 0.273 0.000 1.029 526 S CA 1.510 59.842 58.200 0.219 0.000 0.978 526 S CB -0.281 63.120 63.200 0.334 0.000 0.833 526 S HN 0.957 nan 8.310 nan 0.000 0.466 527 H N 0.276 119.414 119.070 0.114 0.000 3.016 527 H HA 0.507 5.063 4.556 -0.001 0.000 0.362 527 H C -1.034 174.345 175.328 0.085 0.000 1.233 527 H CA -1.211 54.906 56.048 0.116 0.000 1.124 527 H CB 0.948 30.807 29.762 0.162 0.000 1.850 527 H HN 0.131 nan 8.280 nan 0.000 0.549 528 K N 0.990 121.452 120.400 0.103 0.000 2.117 528 K HA 0.200 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.034 176.600 0.091 0.000 1.031 528 K CA -0.692 55.614 56.287 0.032 0.000 0.909 528 K CB 0.610 33.131 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.079 121.511 120.400 0.054 0.000 2.443 529 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 529 D C -0.409 175.962 176.300 0.120 0.000 1.136 529 D CA 0.903 54.952 54.000 0.081 0.000 0.879 529 D CB 0.227 41.053 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.363 121.844 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.971 176.300 0.142 0.000 1.130 530 D CA 0.860 54.930 54.000 0.117 0.000 0.738 530 D CB -0.651 40.198 40.800 0.082 0.000 1.090 530 D HN 0.599 nan 8.370 nan 0.000 0.433 531 E N -0.547 119.772 120.200 0.198 0.000 3.555 531 E HA 0.086 4.435 4.350 -0.001 0.000 0.187 531 E C 0.440 177.064 176.600 0.039 0.000 1.267 531 E CA -0.144 56.371 56.400 0.192 0.000 1.353 531 E CB 0.343 30.243 29.700 0.334 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.890 121.002 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.092 4.350 -0.001 0.000 0.259 532 E C 0.262 176.675 176.600 -0.312 0.000 1.107 532 E CA 1.452 57.528 56.400 -0.539 0.000 0.754 532 E CB -1.135 28.458 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.822 118.435 120.400 -0.238 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.040 176.496 176.600 -0.240 0.000 1.485 533 K CA -0.160 55.969 56.287 -0.263 0.000 1.006 533 K CB 0.207 32.476 32.500 -0.384 0.000 1.254 533 K HN 0.032 nan 8.250 nan 0.000 0.580 534 F N 3.566 123.542 119.950 0.043 0.000 2.390 534 F HA 0.361 4.887 4.527 -0.001 0.000 0.361 534 F C -0.049 175.833 175.800 0.137 0.000 1.124 534 F CA -1.312 56.731 58.000 0.072 0.000 1.149 534 F CB 0.589 39.607 39.000 0.030 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.162 123.206 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.007 172.862 175.800 0.115 0.000 1.072 535 F CA -3.622 54.452 58.000 0.123 0.000 0.989 535 F CB 0.495 39.533 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.108 nan 4.420 nan 0.000 0.271 536 P C -0.453 176.722 177.300 -0.208 0.000 1.218 536 P CA -0.426 62.615 63.100 -0.099 0.000 0.780 536 P CB 0.737 32.444 31.700 0.011 0.000 0.901 537 M N 4.985 124.406 119.600 -0.299 0.000 2.734 537 M HA -0.049 4.431 4.480 -0.001 0.000 0.356 537 M C 0.923 176.890 176.300 -0.555 0.000 1.790 537 M CA 0.718 55.828 55.300 -0.316 0.000 1.231 537 M CB -1.300 31.130 32.600 -0.283 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.168 120.343 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.427 175.837 175.328 0.137 0.000 1.138 538 H CA 0.471 56.612 56.048 0.156 0.000 1.142 538 H CB -2.194 27.633 29.762 0.108 0.000 1.410 538 H HN 0.917 nan 8.280 nan 0.000 0.409 539 G N 0.918 109.783 108.800 0.108 0.000 3.262 539 G HA2 0.107 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.066 3.960 -0.001 0.000 0.228 539 G C 0.357 175.354 174.900 0.161 0.000 1.197 539 G CA 0.325 45.497 45.100 0.121 0.000 0.819 539 G HN 0.917 nan 8.290 nan 0.000 0.531 540 N N -1.199 117.599 118.700 0.163 0.000 3.322 540 N HA 0.112 4.851 4.740 -0.001 0.000 0.233 540 N C -1.728 173.798 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.826 39.387 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.799 121.985 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.782 4.340 -0.001 0.000 0.275 541 L C 0.061 176.665 176.870 -0.443 0.000 1.129 541 L CA 0.132 54.812 54.840 -0.267 0.000 0.839 541 L CB 0.144 41.999 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.742 124.044 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.663 175.188 176.117 -0.444 0.000 0.999 542 I CA -0.407 60.672 61.300 -0.368 0.000 1.129 542 I CB 1.012 38.900 38.000 -0.186 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.084 122.990 119.950 -0.074 0.000 2.422 543 F HA 0.579 5.106 4.527 -0.001 0.000 0.333 543 F C 1.070 176.838 175.800 -0.054 0.000 1.095 543 F CA -0.643 57.326 58.000 -0.052 0.000 1.038 543 F CB 1.657 40.627 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.743 111.632 108.800 0.148 0.000 2.353 544 G HA2 0.337 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.337 4.297 3.960 -0.001 0.000 0.284 544 G C -0.564 174.361 174.900 0.043 0.000 1.172 544 G CA -0.743 44.393 45.100 0.060 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.790 121.190 120.400 0.001 0.000 2.286 545 K HA 0.063 4.383 4.320 -0.001 0.000 0.256 545 K C 0.314 176.894 176.600 -0.034 0.000 0.999 545 K CA -0.177 56.089 56.287 -0.035 0.000 0.908 545 K CB 0.651 33.119 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.342 120.506 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 546 E C -0.187 176.390 176.600 -0.038 0.000 0.995 546 E CA 1.086 57.457 56.400 -0.048 0.000 0.915 546 E CB 0.308 29.963 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.568 112.357 108.800 -0.019 0.000 2.540 547 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G C -0.451 174.438 174.900 -0.019 0.000 0.993 547 G CA 0.253 45.343 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.203 115.750 114.554 -0.012 0.000 3.705 548 T HA 0.434 4.783 4.350 -0.001 0.000 0.342 548 T C 0.376 175.071 174.700 -0.009 0.000 1.043 548 T CA -0.104 61.988 62.100 -0.014 0.000 1.071 548 T CB 1.201 70.059 68.868 -0.016 0.000 1.124 548 T HN 0.635 nan 8.240 nan 0.000 0.467 549 T N 2.384 116.931 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.561 4.350 -0.001 0.000 0.329 549 T C 1.632 176.326 174.700 -0.011 0.000 1.091 549 T CA 0.324 62.418 62.100 -0.010 0.000 1.127 549 T CB 0.459 69.319 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.962 124.776 122.820 -0.011 0.000 2.206 550 A HA 0.231 4.550 4.320 -0.001 0.000 0.211 550 A C 1.397 178.967 177.584 -0.022 0.000 1.158 550 A CA 0.237 52.266 52.037 -0.014 0.000 0.761 550 A CB 0.186 19.178 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.357 116.044 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.443 174.142 174.600 -0.025 0.000 1.071 551 S CA -0.671 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.436 62.748 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.244 120.928 118.700 -0.027 0.000 2.607 552 N HA -0.201 4.539 4.740 -0.001 0.000 0.285 552 N C -0.332 175.165 175.510 -0.022 0.000 1.151 552 N CA 0.535 53.571 53.050 -0.024 0.000 0.749 552 N CB -0.539 37.933 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.791 123.598 122.820 -0.022 0.000 2.252 553 A HA 0.578 4.898 4.320 -0.001 0.000 0.305 553 A C 0.467 178.037 177.584 -0.024 0.000 1.097 553 A CA -0.390 51.633 52.037 -0.022 0.000 0.849 553 A CB 0.768 19.754 19.000 -0.023 0.000 1.142 553 A HN 0.464 nan 8.150 nan 0.000 0.499 554 E N -0.717 119.468 120.200 -0.025 0.000 2.374 554 E HA 0.245 4.594 4.350 -0.001 0.000 0.260 554 E C 0.841 177.421 176.600 -0.034 0.000 1.101 554 E CA -0.268 56.116 56.400 -0.026 0.000 0.907 554 E CB 0.700 30.384 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.072 123.275 121.223 -0.034 0.000 2.191 555 L HA -0.066 4.274 4.340 -0.001 0.000 0.212 555 L C 0.686 177.520 176.870 -0.060 0.000 1.103 555 L CA 1.806 56.616 54.840 -0.050 0.000 0.769 555 L CB -0.095 41.940 42.059 -0.039 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.699 119.672 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.637 4.640 -0.001 0.000 0.226 556 D C 0.814 177.084 176.300 -0.048 0.000 1.066 556 D CA 0.274 54.245 54.000 -0.049 0.000 0.861 556 D CB -0.018 40.757 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.042 118.714 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.015 175.470 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.671 40.137 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.177 117.706 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.649 176.094 -0.057 0.000 1.117 558 V CA -0.984 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.513 34.296 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.280 122.863 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.999 175.271 176.300 -0.050 0.000 0.962 559 M CA -0.145 55.144 55.300 -0.018 0.000 0.927 559 M CB 1.534 34.164 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.602 123.099 120.570 -0.122 0.000 2.365 560 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 560 I C 0.631 176.690 176.117 -0.097 0.000 1.004 560 I CA -0.662 60.534 61.300 -0.174 0.000 1.311 560 I CB 1.457 39.250 38.000 -0.345 0.000 1.401 560 I HN 0.596 nan 8.210 nan 0.000 0.491 561 T N 0.518 115.015 114.554 -0.094 0.000 2.806 561 T HA 0.278 4.628 4.350 -0.001 0.000 0.290 561 T C -0.489 174.254 174.700 0.071 0.000 0.966 561 T CA -0.838 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.608 70.310 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.943 122.432 120.400 0.149 0.000 2.329 562 D HA 0.183 4.822 4.640 -0.001 0.000 0.232 562 D C -0.120 176.327 176.300 0.246 0.000 1.088 562 D CA -0.509 53.621 54.000 0.216 0.000 0.835 562 D CB 0.912 41.849 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.336 123.671 120.200 0.226 0.000 2.360 563 E HA 0.058 4.408 4.350 -0.001 0.000 0.253 563 E C 0.055 176.715 176.600 0.100 0.000 1.189 563 E CA -0.055 56.453 56.400 0.182 0.000 1.252 563 E CB 0.239 30.046 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.250 119.995 120.200 0.075 0.000 2.569 564 E HA 0.127 4.477 4.350 -0.001 0.000 0.205 564 E C 0.194 176.780 176.600 -0.025 0.000 1.006 564 E CA -0.003 56.375 56.400 -0.036 0.000 0.985 564 E CB 0.303 29.961 29.700 -0.070 0.000 1.060 564 E HN -0.035 nan 8.360 nan 0.000 0.460 565 E N 0.739 120.936 120.200 -0.004 0.000 2.431 565 E HA 0.135 4.485 4.350 -0.001 0.000 0.200 565 E C 1.482 178.072 176.600 -0.016 0.000 0.995 565 E CA 0.238 56.621 56.400 -0.029 0.000 0.915 565 E CB 0.310 29.974 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.978 118.595 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.030 177.170 176.117 0.039 0.000 1.403 566 I CA -0.183 61.138 61.300 0.036 0.000 1.169 566 I CB 0.183 38.213 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.412 121.919 120.500 0.012 0.000 2.152 567 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 567 R C 2.185 178.490 176.300 0.009 0.000 1.117 567 R CA 1.988 58.086 56.100 -0.004 0.000 0.981 567 R CB -0.369 29.911 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.213 111.355 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.710 176.401 174.700 -0.016 0.000 1.105 568 T CA 1.137 63.240 62.100 0.006 0.000 1.104 568 T CB 0.217 69.094 68.868 0.016 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.896 112.666 114.554 0.013 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.359 175.113 174.700 0.089 0.000 1.002 569 T CA -0.538 61.573 62.100 0.019 0.000 0.970 569 T CB -0.270 68.599 68.868 0.003 0.000 1.091 569 T HN 0.383 nan 8.240 nan 0.000 0.495 570 N N 2.200 120.951 118.700 0.085 0.000 2.319 570 N HA 0.573 5.312 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.017 51.096 53.050 0.105 0.000 0.815 570 N CB 2.020 40.574 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.673 176.665 177.300 0.063 0.000 1.223 571 P CA -0.377 62.769 63.100 0.076 0.000 0.784 571 P CB 0.617 32.421 31.700 0.174 0.000 0.923 572 V N 1.970 121.906 119.914 0.037 0.000 2.572 572 V HA 0.114 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.838 176.094 0.042 0.000 1.039 572 V CA 0.533 62.853 62.300 0.033 0.000 1.055 572 V CB -0.037 31.794 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.254 127.105 122.820 0.051 0.000 1.908 573 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 573 A C 2.255 179.844 177.584 0.009 0.000 1.181 573 A CA 2.399 54.463 52.037 0.045 0.000 0.627 573 A CB -0.693 18.343 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.695 111.858 114.554 -0.002 0.000 3.009 574 T HA 0.072 4.422 4.350 -0.001 0.000 0.258 574 T C 0.814 175.484 174.700 -0.051 0.000 1.063 574 T CA 0.392 62.467 62.100 -0.041 0.000 1.139 574 T CB -0.205 68.631 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.375 122.556 120.200 -0.032 0.000 2.397 575 E HA 0.173 4.523 4.350 -0.001 0.000 0.254 575 E C 0.604 177.193 176.600 -0.017 0.000 1.231 575 E CA -0.207 56.171 56.400 -0.036 0.000 0.954 575 E CB 0.474 30.157 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.348 119.442 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.355 4.340 -0.001 0.000 0.184 576 Q C 0.680 176.725 176.000 0.075 0.000 1.126 576 Q CA -0.036 55.775 55.803 0.015 0.000 1.196 576 Q CB 0.116 28.854 28.738 -0.001 0.000 1.240 576 Q HN 0.610 nan 8.270 nan 0.000 0.651 577 Y N -1.539 118.738 120.300 -0.038 0.000 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.536 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.082 59.166 58.100 -0.026 0.000 1.264 577 Y CB 1.220 39.664 38.460 -0.027 0.000 1.325 577 Y HN 0.865 nan 8.280 nan 0.000 0.514 578 G N -0.983 107.828 108.800 0.018 0.000 2.399 578 G HA2 0.306 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.306 4.266 3.960 -0.001 0.000 0.256 578 G C -1.431 173.477 174.900 0.015 0.000 1.236 578 G CA -0.380 44.686 45.100 -0.057 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.087 114.643 114.554 0.004 0.000 2.829 579 T HA 0.678 5.028 4.350 -0.001 0.000 0.280 579 T C -0.661 174.056 174.700 0.028 0.000 0.999 579 T CA -0.320 61.787 62.100 0.012 0.000 0.983 579 T CB 1.717 70.582 68.868 -0.005 0.000 0.968 579 T HN 0.831 nan 8.240 nan 0.000 0.446 580 V N 1.672 121.603 119.914 0.028 0.000 2.789 580 V HA 0.805 4.924 4.120 -0.001 0.000 0.311 580 V C 0.108 176.212 176.094 0.017 0.000 1.073 580 V CA -1.305 61.012 62.300 0.029 0.000 0.921 580 V CB 1.828 33.672 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.048 125.878 122.820 0.017 0.000 2.322 581 A HA 0.705 5.025 4.320 -0.001 0.000 0.269 581 A C 0.410 178.000 177.584 0.010 0.000 1.094 581 A CA -0.305 51.739 52.037 0.012 0.000 0.807 581 A CB 0.174 19.183 19.000 0.014 0.000 1.047 581 A HN 1.093 nan 8.150 nan 0.000 0.487 582 N N 1.196 119.900 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.237 174.275 175.510 0.003 0.000 1.716 582 N CA -0.405 52.648 53.050 0.004 0.000 0.859 582 N CB 0.113 38.601 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.249 118.454 118.700 0.004 0.000 3.322 583 N HA 0.147 4.886 4.740 -0.001 0.000 0.233 583 N C -1.740 173.774 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.603 39.091 38.487 0.002 0.000 1.440 583 N HN 0.048 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.782 121.223 0.005 0.000 2.352 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.272 584 L C 0.403 177.276 176.870 0.005 0.000 1.109 584 L CA -0.846 53.998 54.840 0.006 0.000 0.952 584 L CB 0.228 42.290 42.059 0.006 0.000 1.314 584 L HN 0.622 nan 8.230 nan 0.000 0.427 585 Q N 2.564 122.367 119.800 0.005 0.000 2.386 585 Q HA 0.418 4.757 4.340 -0.001 0.000 0.282 585 Q C -0.001 176.001 176.000 0.003 0.000 1.050 585 Q CA -0.044 55.761 55.803 0.003 0.000 0.918 585 Q CB 1.177 29.917 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.131 115.831 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.409 175.008 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.863 58.200 -0.000 0.000 0.864 586 S CB 0.070 63.271 63.200 0.001 0.000 1.198 586 S HN 0.959 nan 8.310 nan 0.000 0.499 587 S N 1.176 116.874 115.700 -0.003 0.000 2.419 587 S HA -0.106 4.363 4.470 -0.001 0.000 0.233 587 S C 1.190 175.788 174.600 -0.004 0.000 1.016 587 S CA 1.296 59.494 58.200 -0.004 0.000 0.974 587 S CB -0.871 62.327 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.220 119.919 118.700 -0.002 0.000 2.395 588 N HA 0.091 4.831 4.740 -0.001 0.000 0.175 588 N C -0.114 175.394 175.510 -0.003 0.000 1.029 588 N CA 0.759 53.807 53.050 -0.002 0.000 0.897 588 N CB 0.039 38.525 38.487 -0.002 0.000 0.991 588 N HN 0.386 nan 8.380 nan 0.000 0.441 589 T N 0.392 114.945 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.464 174.234 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.352 62.100 -0.002 0.000 0.977 589 T CB 2.461 71.329 68.868 -0.001 0.000 0.979 589 T HN 0.090 nan 8.240 nan 0.000 0.446 590 A N 4.735 127.552 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.993 4.320 -0.001 0.000 0.283 590 A C -2.242 175.341 177.584 -0.003 0.000 1.142 590 A CA -1.665 50.370 52.037 -0.004 0.000 0.812 590 A CB -0.181 18.816 19.000 -0.005 0.000 1.074 590 A HN 0.558 nan 8.150 nan 0.000 0.497 591 P HA 0.109 nan 4.420 nan 0.000 0.264 591 P C -0.391 176.908 177.300 -0.002 0.000 1.193 591 P CA 0.495 63.595 63.100 -0.001 0.000 0.763 591 P CB 0.418 32.118 31.700 -0.000 0.000 0.810 592 T N 2.246 116.800 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.029 174.729 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.187 70.053 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.111 117.663 114.554 -0.003 0.000 2.856 593 T HA 0.558 4.907 4.350 -0.001 0.000 0.283 593 T C -0.478 174.220 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.088 69.953 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.132 122.632 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.930 175.371 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.380 31.680 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.676 118.227 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.404 4.350 -0.001 0.000 0.293 595 T C 0.044 174.747 174.700 0.006 0.000 0.913 595 T CA -0.055 62.044 62.100 -0.001 0.000 1.103 595 T CB 0.540 69.398 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.472 125.409 119.914 0.038 0.000 2.455 596 V HA 0.222 4.341 4.120 -0.001 0.000 0.273 596 V C 0.568 176.681 176.094 0.032 0.000 1.045 596 V CA -0.156 62.169 62.300 0.043 0.000 0.976 596 V CB 0.442 32.328 31.823 0.106 0.000 0.993 596 V HN 0.805 nan 8.190 nan 0.000 0.475 597 N N 4.342 123.021 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.898 4.740 -0.001 0.000 0.186 597 N C -0.428 175.002 175.510 -0.134 0.000 1.107 597 N CA 0.184 53.188 53.050 -0.076 0.000 0.884 597 N CB 0.601 39.023 38.487 -0.110 0.000 1.030 597 N HN 0.809 nan 8.380 nan 0.000 0.482 598 D N 0.594 120.913 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.508 174.678 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.549 54.000 -0.148 0.000 0.918 598 D CB 1.420 42.155 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.740 122.365 119.800 -0.292 0.000 2.309 599 Q HA 0.652 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.100 175.921 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.633 29.786 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.072 110.740 108.800 -0.219 0.000 2.479 600 G HA2 0.464 4.423 3.960 -0.001 0.000 0.275 600 G HA3 0.464 4.423 3.960 -0.001 0.000 0.275 600 G C -0.477 174.276 174.900 -0.244 0.000 1.421 600 G CA -0.092 44.875 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.509 121.157 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.405 177.156 177.584 -0.037 0.000 1.091 601 A CA -0.217 51.707 52.037 -0.189 0.000 0.812 601 A CB 0.496 19.332 19.000 -0.274 0.000 1.056 601 A HN 0.574 nan 8.150 nan 0.000 0.489 602 L N 0.889 122.153 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.587 174.387 176.870 0.173 0.000 0.957 602 L CA -1.846 53.057 54.840 0.105 0.000 0.836 602 L CB 2.644 44.762 42.059 0.098 0.000 1.324 602 L HN 0.429 nan 8.230 nan 0.000 0.406 603 P HA 0.165 nan 4.420 nan 0.000 0.259 603 P C 0.672 178.079 177.300 0.179 0.000 1.211 603 P CA 0.684 63.882 63.100 0.163 0.000 0.810 603 P CB 0.455 32.223 31.700 0.113 0.000 0.815 604 G N 2.365 111.318 108.800 0.254 0.000 2.227 604 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G C 0.132 175.266 174.900 0.391 0.000 1.006 604 G CA -0.605 44.693 45.100 0.329 0.000 0.684 604 G HN 0.398 nan 8.290 nan 0.000 0.489 605 M N 1.339 121.147 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.470 177.002 176.300 0.386 0.000 1.176 605 M CA -0.208 55.320 55.300 0.380 0.000 1.150 605 M CB 1.540 34.377 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.865 120.963 119.914 0.307 0.000 2.686 606 V HA 0.834 4.954 4.120 -0.001 0.000 0.306 606 V C -1.608 174.607 176.094 0.202 0.000 1.065 606 V CA -0.680 61.667 62.300 0.077 0.000 0.894 606 V CB 1.205 32.938 31.823 -0.151 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.462 123.739 121.300 -0.038 0.000 3.029 607 W HA 0.887 5.546 4.660 -0.001 0.000 0.339 607 W C -1.017 175.482 176.519 -0.034 0.000 1.198 607 W CA -1.065 56.262 57.345 -0.031 0.000 1.148 607 W CB 1.775 31.223 29.460 -0.020 0.000 1.451 607 W HN 0.685 nan 8.180 nan 0.000 0.564 608 Q N 1.969 121.874 119.800 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.401 175.718 176.000 0.199 0.000 0.974 608 Q CA -0.264 55.584 55.803 0.076 0.000 0.876 608 Q CB 1.324 30.089 28.738 0.046 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.056 121.541 120.400 0.141 0.000 2.414 609 D HA 0.205 4.844 4.640 -0.001 0.000 0.259 609 D C 0.483 176.873 176.300 0.149 0.000 1.269 609 D CA -0.193 53.934 54.000 0.211 0.000 1.028 609 D CB 0.603 41.538 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.302 120.303 120.500 0.175 0.000 3.213 610 R HA 0.246 4.586 4.340 -0.001 0.000 0.188 610 R C -0.267 176.141 176.300 0.181 0.000 0.931 610 R CA 0.078 56.282 56.100 0.172 0.000 1.218 610 R CB 0.026 30.440 30.300 0.190 0.000 0.742 610 R HN 0.424 nan 8.270 nan 0.000 0.484 611 D N -0.841 119.656 120.400 0.161 0.000 2.581 611 D HA 0.318 4.957 4.640 -0.001 0.000 0.232 611 D C -1.631 174.555 176.300 -0.189 0.000 1.143 611 D CA -0.557 53.459 54.000 0.025 0.000 0.881 611 D CB 1.983 42.684 40.800 -0.166 0.000 1.500 611 D HN 0.244 nan 8.370 nan 0.000 0.458 612 V N 0.158 119.827 119.914 -0.408 0.000 2.483 612 V HA 0.694 4.813 4.120 -0.001 0.000 0.295 612 V C -1.079 174.839 176.094 -0.293 0.000 1.035 612 V CA -0.490 61.658 62.300 -0.252 0.000 0.896 612 V CB 0.760 32.397 31.823 -0.309 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.722 123.129 120.300 0.179 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.857 176.586 175.900 -0.284 0.000 1.053 613 Y CA -1.076 57.080 58.100 0.094 0.000 1.105 613 Y CB 1.518 40.065 38.460 0.144 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.413 122.285 121.223 -0.585 0.000 2.151 614 L HA -0.243 4.096 4.340 -0.001 0.000 0.215 614 L C 1.710 178.360 176.870 -0.366 0.000 1.084 614 L CA 2.051 56.191 54.840 -1.168 0.000 0.764 614 L CB -0.437 41.005 42.059 -1.028 0.000 0.891 614 L HN 0.825 nan 8.230 nan 0.000 0.435 615 Q N -1.385 118.303 119.800 -0.186 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.663 176.683 176.000 0.033 0.000 0.833 615 Q CA 0.375 56.167 55.803 -0.019 0.000 0.990 615 Q CB -0.304 28.282 28.738 -0.254 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.281 111.236 108.800 0.259 0.000 2.547 616 G HA2 0.477 4.437 3.960 -0.001 0.000 0.291 616 G HA3 0.477 4.437 3.960 -0.001 0.000 0.291 616 G C -2.716 172.376 174.900 0.320 0.000 1.211 616 G CA -1.251 44.141 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.184 nan 4.420 nan 0.000 0.270 617 P C 0.434 177.701 177.300 -0.056 0.000 1.223 617 P CA -0.152 62.950 63.100 0.003 0.000 0.785 617 P CB 1.011 32.723 31.700 0.019 0.000 0.923 618 I N -1.047 119.351 120.570 -0.287 0.000 2.900 618 I HA 0.181 4.351 4.170 -0.001 0.000 0.251 618 I C 0.679 176.984 176.117 0.313 0.000 1.102 618 I CA 0.555 61.748 61.300 -0.178 0.000 1.457 618 I CB -0.297 37.643 38.000 -0.099 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.052 122.471 121.300 0.198 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.202 175.430 176.519 0.187 0.000 1.190 619 W CA -1.219 56.279 57.345 0.254 0.000 1.011 619 W CB 0.822 30.472 29.460 0.317 0.000 1.511 619 W HN -0.068 nan 8.180 nan 0.000 0.606 620 A N 1.328 124.429 122.820 0.468 0.000 2.555 620 A HA 0.449 4.769 4.320 -0.001 0.000 0.297 620 A C -1.553 176.177 177.584 0.243 0.000 1.060 620 A CA -1.091 51.120 52.037 0.289 0.000 0.710 620 A CB 1.468 20.564 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.544 124.035 120.400 0.151 0.000 2.315 621 K HA 0.364 4.684 4.320 -0.001 0.000 0.291 621 K C -0.481 176.069 176.600 -0.084 0.000 1.074 621 K CA -0.272 55.944 56.287 -0.118 0.000 0.936 621 K CB -0.238 31.973 32.500 -0.481 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.579 128.074 120.570 -0.125 0.000 2.742 622 I HA -0.043 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.248 176.117 -0.147 0.000 1.186 622 I CA -1.576 59.629 61.300 -0.160 0.000 1.417 622 I CB 0.097 37.922 38.000 -0.290 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.094 nan 4.420 nan 0.000 0.265 623 P C -0.540 176.822 177.300 0.103 0.000 1.187 623 P CA 0.165 63.292 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.785 120.874 119.070 0.032 0.000 2.982 624 H HA 0.270 4.825 4.556 -0.001 0.000 0.261 624 H C 0.253 175.636 175.328 0.092 0.000 1.603 624 H CA 0.012 56.096 56.048 0.060 0.000 1.398 624 H CB -0.545 29.218 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.677 113.888 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.005 175.561 174.700 -0.239 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.066 0.000 0.982 625 T CB 1.173 70.018 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.415 120.702 120.400 -0.188 0.000 2.224 626 D HA 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.878 176.993 176.300 -0.309 0.000 0.965 626 D CA 1.095 54.978 54.000 -0.195 0.000 0.852 626 D CB -0.165 40.574 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.641 107.893 108.800 -0.443 0.000 2.746 627 G HA2 0.495 4.455 3.960 -0.001 0.000 0.297 627 G HA3 0.495 4.455 3.960 -0.001 0.000 0.297 627 G C -1.339 173.205 174.900 -0.593 0.000 1.426 627 G CA -0.688 44.125 45.100 -0.479 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.322 120.405 119.070 0.021 0.000 2.928 628 H HA 0.512 5.068 4.556 -0.001 0.000 0.371 628 H C -0.429 174.979 175.328 0.133 0.000 1.186 628 H CA -0.685 55.397 56.048 0.057 0.000 1.134 628 H CB 2.525 32.295 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.847 120.890 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.832 176.768 175.800 0.227 0.000 1.073 629 F CA 0.692 58.782 58.000 0.150 0.000 1.073 629 F CB 0.345 39.408 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.957 121.040 119.070 0.021 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.385 173.026 175.328 0.138 0.000 1.432 630 H CA -2.149 53.890 56.048 -0.015 0.000 1.373 630 H CB 0.236 30.109 29.762 0.186 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.009 nan 4.420 nan 0.000 0.235 631 P C -0.380 176.915 177.300 -0.008 0.000 1.670 631 P CA 0.323 63.416 63.100 -0.013 0.000 1.017 631 P CB -0.336 31.287 31.700 -0.127 0.000 1.945 632 S N 1.901 117.665 115.700 0.108 0.000 2.437 632 S HA 0.503 4.973 4.470 -0.001 0.000 0.305 632 S C -2.500 172.191 174.600 0.152 0.000 1.109 632 S CA -2.108 56.179 58.200 0.145 0.000 1.099 632 S CB 0.273 63.633 63.200 0.267 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.721 178.092 177.300 0.120 0.000 1.172 633 P CA 0.204 63.372 63.100 0.113 0.000 0.762 633 P CB 0.281 32.048 31.700 0.112 0.000 0.764 634 L N 2.439 123.727 121.223 0.107 0.000 2.127 634 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 634 L C 2.065 179.002 176.870 0.112 0.000 1.089 634 L CA 1.568 56.472 54.840 0.107 0.000 0.757 634 L CB -0.416 41.693 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.861 118.801 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.727 177.113 176.300 0.144 0.000 1.106 635 M CA 0.502 55.868 55.300 0.109 0.000 1.086 635 M CB -0.017 32.630 32.600 0.080 0.000 1.465 635 M HN 0.336 nan 8.290 nan 0.000 0.506 636 G N -0.139 108.739 108.800 0.131 0.000 2.674 636 G HA2 0.291 4.250 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.250 3.960 -0.001 0.000 0.686 636 G C -0.366 174.578 174.900 0.074 0.000 1.195 636 G CA -0.628 44.543 45.100 0.119 0.000 0.776 636 G HN 0.732 nan 8.290 nan 0.000 0.654 637 G N -0.547 108.227 108.800 -0.043 0.000 2.297 637 G HA2 0.451 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.451 4.411 3.960 -0.001 0.000 0.209 637 G C -0.650 174.078 174.900 -0.287 0.000 1.267 637 G CA -0.081 44.905 45.100 -0.191 0.000 1.127 637 G HN 1.624 nan 8.290 nan 0.000 0.498 638 F N 1.966 122.057 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.131 177.043 175.800 0.188 0.000 1.122 638 F CA 0.070 58.181 58.000 0.185 0.000 1.056 638 F CB 2.015 41.115 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.178 114.133 108.800 0.258 0.000 2.360 639 G HA2 0.516 4.475 3.960 -0.001 0.000 0.279 639 G HA3 0.516 4.475 3.960 -0.001 0.000 0.279 639 G C -0.822 174.148 174.900 0.117 0.000 1.189 639 G CA -0.417 44.774 45.100 0.151 0.000 0.941 639 G HN 0.580 nan 8.290 nan 0.000 0.445 640 L N 3.118 124.401 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.156 177.947 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.217 44.351 42.059 0.125 0.000 1.256 640 L HN 0.425 nan 8.230 nan 0.000 0.413 641 K N 1.038 121.313 120.400 -0.208 0.000 2.026 641 K HA -0.035 4.285 4.320 -0.001 0.000 0.208 641 K C 0.324 176.468 176.600 -0.759 0.000 1.048 641 K CA 1.352 57.358 56.287 -0.468 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.461 0.000 0.713 641 K HN 0.541 nan 8.250 nan 0.000 0.439 642 H N 0.583 119.528 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.413 172.916 175.328 0.001 0.000 1.269 642 H CA -2.228 53.669 56.048 -0.253 0.000 1.409 642 H CB 1.148 30.908 29.762 -0.003 0.000 1.434 642 H HN 0.058 nan 8.280 nan 0.000 0.505 643 P HA 0.195 nan 4.420 nan 0.000 0.281 643 P C -2.647 174.447 177.300 -0.343 0.000 1.264 643 P CA -2.154 60.843 63.100 -0.172 0.000 0.824 643 P CB 0.267 31.892 31.700 -0.125 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.097 177.300 -0.327 0.000 1.154 644 P CA -0.083 62.318 63.100 -1.165 0.000 0.805 644 P CB -1.278 29.736 31.700 -1.143 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.307 176.862 177.300 -0.218 0.000 1.221 645 P CA 0.290 63.285 63.100 -0.176 0.000 0.788 645 P CB 0.656 32.128 31.700 -0.380 0.000 0.904 646 Q N 0.500 120.143 119.800 -0.262 0.000 2.286 646 Q HA 0.344 4.684 4.340 -0.001 0.000 0.257 646 Q C -0.458 175.202 176.000 -0.568 0.000 0.941 646 Q CA -0.387 55.173 55.803 -0.404 0.000 0.912 646 Q CB 0.291 28.742 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.111 123.381 120.570 -0.501 0.000 2.307 647 I HA 0.199 4.368 4.170 -0.001 0.000 0.289 647 I C -0.418 175.453 176.117 -0.410 0.000 1.021 647 I CA -0.146 60.812 61.300 -0.569 0.000 1.224 647 I CB 0.801 38.400 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.646 125.837 119.600 -0.680 0.000 2.359 648 M HA 0.610 5.090 4.480 -0.001 0.000 0.322 648 M C -0.740 175.525 176.300 -0.058 0.000 1.166 648 M CA -0.357 54.660 55.300 -0.471 0.000 1.067 648 M CB 1.444 33.414 32.600 -1.049 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.256 122.959 120.570 0.223 0.000 2.775 649 I HA 0.684 4.854 4.170 -0.001 0.000 0.295 649 I C -1.844 174.303 176.117 0.049 0.000 1.287 649 I CA -0.234 61.149 61.300 0.138 0.000 1.029 649 I CB 1.694 39.657 38.000 -0.063 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.459 123.737 120.400 -0.203 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.010 174.413 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.420 0.000 0.854 650 K CB 0.610 32.427 32.500 -1.139 0.000 1.401 650 K HN 0.326 nan 8.250 nan 0.000 0.415 651 N N 1.191 119.784 118.700 -0.179 0.000 2.442 651 N HA 0.177 4.916 4.740 -0.001 0.000 0.265 651 N C -0.870 174.564 175.510 -0.128 0.000 1.138 651 N CA -0.316 52.681 53.050 -0.090 0.000 0.956 651 N CB 1.085 39.567 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.070 118.551 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.449 4.350 -0.001 0.000 0.293 652 T C -2.187 172.391 174.700 -0.203 0.000 0.970 652 T CA -0.593 61.416 62.100 -0.151 0.000 1.168 652 T CB 0.074 68.888 68.868 -0.090 0.000 0.911 652 T HN 0.284 nan 8.240 nan 0.000 0.535 653 P HA 0.138 nan 4.420 nan 0.000 0.263 653 P C -0.821 176.259 177.300 -0.367 0.000 1.195 653 P CA -0.143 62.493 63.100 -0.772 0.000 0.762 653 P CB 0.380 31.420 31.700 -1.101 0.000 0.799 654 V N 7.245 127.042 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.111 174.113 176.094 0.217 0.000 1.016 654 V CA -2.158 60.149 62.300 0.011 0.000 0.832 654 V CB 1.460 33.300 31.823 0.027 0.000 0.999 654 V HN 0.454 nan 8.190 nan 0.000 0.439 655 P HA 0.139 nan 4.420 nan 0.000 0.263 655 P C 0.238 177.629 177.300 0.151 0.000 1.195 655 P CA 0.458 63.626 63.100 0.114 0.000 0.762 655 P CB 0.688 32.202 31.700 -0.310 0.000 0.799 656 A N 4.369 127.320 122.820 0.218 0.000 2.404 656 A HA 0.035 4.354 4.320 -0.001 0.000 0.258 656 A C 0.725 178.401 177.584 0.155 0.000 1.644 656 A CA -0.053 52.077 52.037 0.155 0.000 0.847 656 A CB -0.350 18.719 19.000 0.114 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.802 119.565 118.700 0.105 0.000 2.470 657 N HA 0.300 5.039 4.740 -0.001 0.000 0.268 657 N C -2.605 172.974 175.510 0.115 0.000 1.136 657 N CA -0.883 52.222 53.050 0.091 0.000 0.961 657 N CB 0.310 38.826 38.487 0.048 0.000 1.067 657 N HN 0.236 nan 8.380 nan 0.000 0.468 658 P HA 0.487 nan 4.420 nan 0.000 0.287 658 P C -2.632 174.714 177.300 0.077 0.000 1.270 658 P CA -1.252 61.950 63.100 0.169 0.000 0.844 658 P CB 0.290 32.123 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.531 177.862 177.300 0.052 0.000 1.240 659 P CA -0.203 62.910 63.100 0.023 0.000 0.798 659 P CB 0.335 32.026 31.700 -0.015 0.000 0.979 660 T N -1.230 113.350 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.911 175.652 174.700 0.068 0.000 1.109 660 T CA 1.242 63.374 62.100 0.052 0.000 1.119 660 T CB -0.204 68.686 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.031 115.623 114.554 0.063 0.000 2.867 661 T HA 0.485 4.835 4.350 -0.001 0.000 0.282 661 T C -0.739 174.035 174.700 0.123 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.255 69.154 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.257 124.219 119.950 0.021 0.000 2.484 662 F HA 0.494 5.020 4.527 -0.001 0.000 0.360 662 F C 0.331 176.145 175.800 0.023 0.000 1.101 662 F CA -0.045 57.973 58.000 0.029 0.000 1.251 662 F CB 0.640 39.658 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.929 122.122 115.700 -0.845 0.000 2.605 663 S HA 0.510 4.979 4.470 -0.001 0.000 0.308 663 S C -1.904 172.141 174.600 -0.924 0.000 1.113 663 S CA -1.282 56.498 58.200 -0.700 0.000 1.049 663 S CB 1.410 64.407 63.200 -0.337 0.000 1.001 663 S HN 0.531 nan 8.310 nan 0.000 0.480 664 P HA 0.224 nan 4.420 nan 0.000 0.236 664 P C 0.166 177.374 177.300 -0.154 0.000 1.177 664 P CA 0.149 63.050 63.100 -0.333 0.000 0.773 664 P CB -0.041 31.591 31.700 -0.113 0.000 0.878 665 A N 0.909 123.627 122.820 -0.170 0.000 2.531 665 A HA 0.028 4.348 4.320 -0.001 0.000 0.236 665 A C 0.579 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.211 51.766 52.037 -0.100 0.000 0.760 665 A CB -0.304 18.619 19.000 -0.127 0.000 0.995 665 A HN 0.066 nan 8.150 nan 0.000 0.501 666 K N 1.662 122.064 120.400 0.003 0.000 2.524 666 K HA 0.017 4.336 4.320 -0.001 0.000 0.279 666 K C -0.825 175.809 176.600 0.057 0.000 0.993 666 K CA 0.235 56.566 56.287 0.075 0.000 1.030 666 K CB 0.057 32.613 32.500 0.093 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.986 122.937 119.950 0.003 0.000 2.456 667 F HA 0.244 4.771 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.142 0.000 1.095 667 F CA 0.765 58.705 58.000 -0.099 0.000 1.216 667 F CB 1.214 40.167 39.000 -0.078 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.068 125.683 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.500 4.320 -0.001 0.000 0.260 668 A C 0.129 177.475 177.584 -0.397 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.199 0.000 0.985 668 A CB -0.124 18.862 19.000 -0.024 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.716 116.011 115.700 -0.675 0.000 2.466 669 S HA 0.712 5.182 4.470 -0.001 0.000 0.313 669 S C -0.951 173.454 174.600 -0.325 0.000 1.078 669 S CA -0.337 57.626 58.200 -0.394 0.000 1.115 669 S CB -0.543 62.446 63.200 -0.351 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.052 123.130 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.438 176.326 175.800 0.146 0.000 1.059 670 F CA -1.277 56.840 58.000 0.195 0.000 0.953 670 F CB 1.195 40.320 39.000 0.208 0.000 1.227 670 F HN 0.282 nan 8.300 nan 0.000 0.478 671 I N 1.502 122.265 120.570 0.322 0.000 2.471 671 I HA 0.113 4.283 4.170 -0.001 0.000 0.286 671 I C 0.349 176.590 176.117 0.207 0.000 1.079 671 I CA -0.361 61.059 61.300 0.200 0.000 1.398 671 I CB 0.912 38.992 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.490 119.138 114.554 0.157 0.000 2.814 672 T HA 0.395 4.745 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.118 0.000 0.956 672 T CA -0.639 61.540 62.100 0.132 0.000 1.123 672 T CB 0.769 69.694 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.304 122.176 119.800 0.119 0.000 2.472 673 Q HA 0.563 4.902 4.340 -0.001 0.000 0.281 673 Q C -1.774 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.097 0.000 0.828 673 Q CB 1.492 30.247 28.738 0.030 0.000 1.443 673 Q HN 0.864 nan 8.270 nan 0.000 0.390 674 Y N -1.141 119.150 120.300 -0.015 0.000 2.545 674 Y HA 0.837 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.847 175.058 175.900 0.008 0.000 1.002 674 Y CA -0.825 57.262 58.100 -0.022 0.000 1.039 674 Y CB 2.036 40.466 38.460 -0.050 0.000 1.271 674 Y HN 0.819 nan 8.280 nan 0.000 0.467 675 S N 1.068 116.828 115.700 0.099 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.650 174.035 174.600 0.142 0.000 1.093 675 S CA -0.461 57.789 58.200 0.083 0.000 1.017 675 S CB 1.940 65.280 63.200 0.233 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.455 114.004 114.554 -0.159 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.347 173.658 174.700 -1.158 0.000 1.307 676 T CA 0.269 61.950 62.100 -0.699 0.000 1.019 676 T CB 1.059 69.721 68.868 -0.344 0.000 1.264 676 T HN 1.737 nan 8.240 nan 0.000 0.497 677 G N 1.796 109.450 108.800 -1.910 0.000 2.325 677 G HA2 0.493 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.493 4.453 3.960 -0.001 0.000 0.295 677 G C -2.091 172.012 174.900 -1.327 0.000 1.274 677 G CA -0.665 43.695 45.100 -1.232 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.351 118.046 119.800 -0.671 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.572 175.209 176.000 -0.365 0.000 1.007 678 Q CA -0.730 54.720 55.803 -0.589 0.000 0.877 678 Q CB 2.540 30.791 28.738 -0.813 0.000 1.315 678 Q HN 0.972 nan 8.270 nan 0.000 0.454 679 V N 0.208 120.034 119.914 -0.147 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.594 174.398 176.094 -0.170 0.000 1.090 679 V CA -0.317 61.874 62.300 -0.181 0.000 0.930 679 V CB 2.343 34.115 31.823 -0.084 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.313 119.900 115.700 -0.188 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.476 172.955 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.136 0.000 0.992 680 S CB 1.595 64.834 63.200 0.065 0.000 1.028 680 S HN 0.877 nan 8.310 nan 0.000 0.484 681 V N 4.958 124.737 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.232 175.784 176.094 -0.129 0.000 1.021 681 V CA -0.650 61.513 62.300 -0.227 0.000 0.848 681 V CB 1.479 33.022 31.823 -0.468 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.477 125.613 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.001 4.350 -0.001 0.000 0.275 682 E C -1.424 175.126 176.600 -0.082 0.000 0.936 682 E CA -0.520 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.424 31.059 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.532 124.057 120.570 -0.075 0.000 2.498 683 I HA 0.269 4.439 4.170 -0.001 0.000 0.290 683 I C -0.218 175.768 176.117 -0.219 0.000 1.032 683 I CA -0.801 60.398 61.300 -0.168 0.000 1.073 683 I CB 2.062 39.911 38.000 -0.252 0.000 1.251 683 I HN 0.555 nan 8.210 nan 0.000 0.426 684 E N 5.218 125.237 120.200 -0.301 0.000 2.231 684 E HA 0.372 4.722 4.350 -0.001 0.000 0.277 684 E C -1.935 174.425 176.600 -0.400 0.000 0.999 684 E CA -0.584 55.692 56.400 -0.207 0.000 0.827 684 E CB 1.303 30.931 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.733 124.023 121.300 -0.017 0.000 2.619 685 W HA 0.287 4.946 4.660 -0.001 0.000 0.327 685 W C -0.203 176.361 176.519 0.076 0.000 1.027 685 W CA -0.700 56.676 57.345 0.051 0.000 1.233 685 W CB 1.252 30.806 29.460 0.156 0.000 1.370 685 W HN 0.459 nan 8.180 nan 0.000 0.453 686 E N 3.254 123.603 120.200 0.248 0.000 2.331 686 E HA 0.473 4.822 4.350 -0.001 0.000 0.272 686 E C -0.900 175.978 176.600 0.464 0.000 1.036 686 E CA -0.283 56.272 56.400 0.258 0.000 0.864 686 E CB 0.823 30.599 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.300 124.800 121.223 0.463 0.000 2.342 687 L HA 0.361 4.701 4.340 -0.001 0.000 0.271 687 L C -0.299 176.810 176.870 0.398 0.000 1.008 687 L CA -0.764 54.376 54.840 0.501 0.000 0.818 687 L CB 1.922 44.200 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.103 123.067 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.823 175.183 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.060 0.000 0.805 688 Q CB 1.163 29.619 28.738 -0.471 0.000 1.226 688 Q HN 0.343 nan 8.270 nan 0.000 0.476 689 K N 1.834 122.197 120.400 -0.062 0.000 2.230 689 K HA 0.050 4.370 4.320 -0.001 0.000 0.253 689 K C -0.099 176.244 176.600 -0.429 0.000 1.008 689 K CA -0.004 56.188 56.287 -0.159 0.000 0.910 689 K CB 0.657 33.074 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.982 121.815 120.200 -0.613 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.019 175.003 176.600 -0.963 0.000 1.015 690 E CA -0.206 55.413 56.400 -1.302 0.000 0.819 690 E CB 0.557 29.626 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.948 121.013 118.700 -1.058 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.841 173.568 175.510 -0.169 0.000 1.269 691 N CA -0.222 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.969 39.319 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.103 116.712 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.913 4.470 -0.001 0.000 0.299 692 S C 0.065 174.687 174.600 0.036 0.000 1.087 692 S CA -0.616 57.626 58.200 0.071 0.000 1.012 692 S CB 0.669 63.989 63.200 0.199 0.000 1.044 692 S HN 0.261 nan 8.310 nan 0.000 0.485 693 K N 2.367 122.814 120.400 0.079 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.269 176.944 176.600 0.125 0.000 1.033 693 K CA -0.264 56.074 56.287 0.084 0.000 1.161 693 K CB -0.133 32.418 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.967 121.538 120.500 0.119 0.000 2.502 694 R HA -0.109 4.231 4.340 -0.001 0.000 0.292 694 R C 1.083 177.474 176.300 0.152 0.000 0.998 694 R CA 0.237 56.422 56.100 0.140 0.000 1.056 694 R CB 0.066 30.439 30.300 0.121 0.000 0.939 694 R HN 0.297 nan 8.270 nan 0.000 0.411 695 W N 5.833 127.147 121.300 0.024 0.000 2.452 695 W HA -0.091 4.568 4.660 -0.001 0.000 0.313 695 W C -0.102 176.426 176.519 0.015 0.000 1.176 695 W CA 1.126 58.480 57.345 0.015 0.000 1.350 695 W CB -0.231 29.237 29.460 0.013 0.000 1.148 695 W HN 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.065 120.888 118.700 0.205 0.000 2.444 696 N HA 0.089 4.829 4.740 -0.001 0.000 0.255 696 N C -2.700 172.814 175.510 0.006 0.000 1.255 696 N CA -1.051 52.051 53.050 0.086 0.000 0.933 696 N CB -0.613 37.973 38.487 0.165 0.000 1.143 696 N HN -0.103 nan 8.380 nan 0.000 0.453 697 P HA 0.077 nan 4.420 nan 0.000 0.267 697 P C -0.197 177.121 177.300 0.029 0.000 1.200 697 P CA 0.272 63.362 63.100 -0.016 0.000 0.772 697 P CB 0.552 32.241 31.700 -0.019 0.000 0.855 698 E N 1.347 121.572 120.200 0.042 0.000 2.292 698 E HA 0.366 4.716 4.350 -0.001 0.000 0.258 698 E C 0.289 176.942 176.600 0.088 0.000 1.115 698 E CA -0.996 55.451 56.400 0.078 0.000 0.929 698 E CB 0.811 30.577 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.200 119.440 120.570 0.116 0.000 2.519 699 I HA 0.197 4.367 4.170 -0.001 0.000 0.287 699 I C -0.350 175.927 176.117 0.267 0.000 1.047 699 I CA -0.483 60.908 61.300 0.151 0.000 1.381 699 I CB 0.649 38.720 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.684 124.635 119.800 0.251 0.000 2.394 700 Q HA 0.304 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.405 174.732 176.000 0.229 0.000 1.089 700 Q CA -0.796 55.137 55.803 0.217 0.000 0.812 700 Q CB 2.822 31.603 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.995 121.186 120.300 -0.182 0.000 2.346 701 Y HA 0.295 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.116 175.763 175.900 -0.035 0.000 1.178 701 Y CA 0.863 58.869 58.100 -0.156 0.000 1.331 701 Y CB 0.989 39.123 38.460 -0.543 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.634 117.782 114.554 -0.676 0.000 2.840 702 T HA 0.433 4.782 4.350 -0.001 0.000 0.317 702 T C -1.240 173.223 174.700 -0.394 0.000 1.401 702 T CA -0.752 61.151 62.100 -0.329 0.000 1.028 702 T CB 0.868 69.662 68.868 -0.122 0.000 1.317 702 T HN 0.614 nan 8.240 nan 0.000 0.495 703 S N 2.051 117.697 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.847 4.470 -0.001 0.000 0.274 703 S C 0.104 174.730 174.600 0.043 0.000 1.281 703 S CA -0.630 57.575 58.200 0.009 0.000 1.035 703 S CB 0.184 63.448 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.930 120.659 118.700 0.048 0.000 2.427 704 N HA 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.650 176.207 175.510 0.077 0.000 1.235 704 N CA -0.126 52.965 53.050 0.068 0.000 0.934 704 N CB 0.171 38.659 38.487 0.003 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.097 121.395 120.300 -0.004 0.000 2.639 705 Y HA 0.078 4.628 4.550 -0.001 0.000 0.297 705 Y C 0.063 175.965 175.900 0.004 0.000 1.151 705 Y CA -0.511 57.590 58.100 0.003 0.000 1.335 705 Y CB -0.159 38.301 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.535 120.874 118.700 -0.603 0.000 2.415 706 N HA -0.032 4.708 4.740 -0.001 0.000 0.248 706 N C -0.496 174.876 175.510 -0.229 0.000 1.271 706 N CA -0.199 52.527 53.050 -0.539 0.000 0.913 706 N CB 0.513 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.318 nan 8.380 nan 0.000 0.444 707 K N 0.555 120.851 120.400 -0.175 0.000 2.453 707 K HA 0.003 4.323 4.320 -0.001 0.000 0.280 707 K C -0.303 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.361 56.593 56.287 -0.092 0.000 1.059 707 K CB 0.217 32.674 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.785 118.454 115.700 -0.052 0.000 2.599 708 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 708 S C 0.842 175.423 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.043 0.000 0.931 708 S CB 1.582 64.760 63.200 -0.035 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.231 123.125 119.914 -0.034 0.000 2.238 709 V HA -0.008 4.111 4.120 -0.001 0.000 0.235 709 V C 0.797 176.873 176.094 -0.028 0.000 1.037 709 V CA 1.483 63.764 62.300 -0.032 0.000 0.991 709 V CB -0.865 30.936 31.823 -0.037 0.000 0.638 709 V HN 0.836 nan 8.190 nan 0.000 0.457 710 N N -0.897 117.781 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.216 4.740 -0.001 0.000 0.289 710 N C -1.030 174.464 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.971 40.423 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.380 121.288 119.914 -0.009 0.000 2.530 711 V HA 0.043 4.163 4.120 -0.001 0.000 0.282 711 V C -0.064 176.042 176.094 0.020 0.000 1.048 711 V CA -0.434 61.881 62.300 0.024 0.000 0.997 711 V CB 0.764 32.620 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.654 125.088 120.400 0.058 0.000 2.487 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.243 712 D C 0.108 176.532 176.300 0.206 0.000 1.154 712 D CA 0.681 54.715 54.000 0.058 0.000 0.876 712 D CB 0.014 40.939 40.800 0.208 0.000 1.161 712 D HN 0.483 nan 8.370 nan 0.000 0.478 713 F N 0.020 119.921 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.313 176.094 175.800 -0.032 0.000 1.086 713 F CA 0.350 58.264 58.000 -0.142 0.000 1.174 713 F CB -1.740 37.299 39.000 0.066 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.764 113.721 114.554 -0.116 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.174 174.457 174.700 -0.115 0.000 1.503 714 T CA -0.464 61.650 62.100 0.024 0.000 1.019 714 T CB 1.929 70.825 68.868 0.046 0.000 1.415 714 T HN 0.496 nan 8.240 nan 0.000 0.496 715 V N 0.359 120.212 119.914 -0.101 0.000 3.185 715 V HA 0.637 4.757 4.120 -0.001 0.000 0.305 715 V C 0.234 176.274 176.094 -0.091 0.000 1.090 715 V CA -0.373 61.843 62.300 -0.141 0.000 1.107 715 V CB 0.395 32.109 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.078 121.429 120.400 -0.082 0.000 2.509 716 D HA 0.244 4.883 4.640 -0.001 0.000 0.275 716 D C 1.393 177.669 176.300 -0.040 0.000 1.189 716 D CA 0.359 54.322 54.000 -0.061 0.000 1.098 716 D CB -0.250 40.510 40.800 -0.067 0.000 1.177 716 D HN 0.687 nan 8.370 nan 0.000 0.599 717 T N -2.968 111.566 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.228 4.350 -0.001 0.000 0.269 717 T C 0.684 175.373 174.700 -0.018 0.000 1.071 717 T CA 1.276 63.363 62.100 -0.022 0.000 1.132 717 T CB -0.770 68.086 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.254 118.941 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.152 4.740 -0.001 0.000 0.244 718 N C 0.715 176.217 175.510 -0.013 0.000 1.216 718 N CA -0.165 52.876 53.050 -0.014 0.000 0.879 718 N CB 0.293 38.772 38.487 -0.013 0.000 1.167 718 N HN 0.499 nan 8.380 nan 0.000 0.515 719 G N -0.128 108.659 108.800 -0.022 0.000 2.470 719 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.286 719 G C -0.939 173.945 174.900 -0.027 0.000 1.115 719 G CA -0.004 45.082 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.898 121.780 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.531 4.120 -0.001 0.000 0.293 720 V C 0.018 176.068 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.517 33.319 31.823 -0.034 0.000 1.008 720 V HN 0.564 nan 8.190 nan 0.000 0.428 721 Y N 4.415 124.583 120.300 -0.220 0.000 2.511 721 Y HA 0.461 5.011 4.550 -0.001 0.000 0.332 721 Y C 0.718 176.533 175.900 -0.142 0.000 1.177 721 Y CA 0.268 58.215 58.100 -0.255 0.000 1.422 721 Y CB 1.015 39.300 38.460 -0.291 0.000 1.271 721 Y HN 0.730 nan 8.280 nan 0.000 0.550 722 S N 4.368 119.631 115.700 -0.730 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.507 172.639 174.600 -0.757 0.000 1.150 722 S CA -1.197 56.671 58.200 -0.553 0.000 0.978 722 S CB 1.404 64.398 63.200 -0.344 0.000 1.041 722 S HN 0.675 nan 8.310 nan 0.000 0.485 723 E N 3.092 122.957 120.200 -0.559 0.000 2.001 723 E HA 0.218 4.567 4.350 -0.001 0.000 0.279 723 E C -1.856 174.387 176.600 -0.594 0.000 1.045 723 E CA -2.002 54.036 56.400 -0.603 0.000 0.833 723 E CB 0.460 30.045 29.700 -0.192 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.202 177.339 177.300 -0.273 0.000 1.180 724 P CA 1.518 64.321 63.100 -0.495 0.000 0.935 724 P CB 0.182 31.559 31.700 -0.537 0.000 0.785 725 R N -1.612 118.778 120.500 -0.183 0.000 2.892 725 R HA 0.616 4.955 4.340 -0.001 0.000 0.265 725 R C -2.950 173.406 176.300 0.092 0.000 1.025 725 R CA -2.323 53.786 56.100 0.015 0.000 0.982 725 R CB 0.099 30.473 30.300 0.123 0.000 1.185 725 R HN -0.139 nan 8.270 nan 0.000 0.484 726 P HA 0.197 nan 4.420 nan 0.000 0.274 726 P C -0.696 176.764 177.300 0.268 0.000 1.231 726 P CA -0.368 62.792 63.100 0.100 0.000 0.790 726 P CB 0.523 32.249 31.700 0.044 0.000 0.951 727 I N 1.884 122.649 120.570 0.325 0.000 2.382 727 I HA 0.302 4.471 4.170 -0.001 0.000 0.286 727 I C 1.169 177.646 176.117 0.600 0.000 1.002 727 I CA -0.312 61.215 61.300 0.379 0.000 1.135 727 I CB 0.749 38.846 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.531 112.683 108.800 0.586 0.000 2.631 728 G HA2 0.223 4.183 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.183 3.960 -0.001 0.000 0.271 728 G C 0.545 175.615 174.900 0.284 0.000 1.302 728 G CA 0.145 45.460 45.100 0.359 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.402 113.242 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.912 175.721 174.700 0.182 0.000 0.964 729 T CA -0.221 61.943 62.100 0.108 0.000 0.895 729 T CB 0.022 68.960 68.868 0.116 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.205 121.801 120.500 0.159 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.591 175.744 176.300 0.058 0.000 1.174 730 R CA -0.167 55.963 56.100 0.051 0.000 1.118 730 R CB 0.374 30.611 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.596 120.920 120.300 0.040 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.464 176.420 175.900 0.092 0.000 1.089 731 Y CA -0.069 58.075 58.100 0.073 0.000 1.262 731 Y CB 0.880 39.391 38.460 0.086 0.000 1.236 731 Y HN 0.244 nan 8.280 nan 0.000 0.512 732 L N 0.736 122.120 121.223 0.267 0.000 2.334 732 L HA 0.467 4.807 4.340 -0.001 0.000 0.275 732 L C 0.170 177.138 176.870 0.162 0.000 1.036 732 L CA -0.763 54.262 54.840 0.309 0.000 0.807 732 L CB 1.562 43.966 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.227 114.426 114.554 0.166 0.000 2.794 733 T HA 0.572 4.922 4.350 -0.001 0.000 0.280 733 T C -0.413 174.220 174.700 -0.112 0.000 0.987 733 T CA -0.876 61.234 62.100 0.016 0.000 0.993 733 T CB 2.026 70.935 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.092 122.404 120.500 -0.312 0.000 2.807 734 R HA 0.477 4.816 4.340 -0.001 0.000 0.276 734 R C -0.728 175.502 176.300 -0.118 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.446 31.113 30.300 -1.056 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.954 119.623 118.700 -0.052 0.000 2.374 735 N HA 0.345 5.084 4.740 -0.001 0.000 0.284 735 N C -0.219 175.322 175.510 0.052 0.000 1.280 735 N CA -0.269 52.795 53.050 0.025 0.000 0.963 735 N CB 0.326 38.821 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.220 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.953 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502