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 1qfc_1_A DATA FIRST_RESID 1 DATA SEQUENCE TAPASTLRFV AVGDWGGVPN APFHTAREMA NAKEIARTVQ IMGADFIMSL DATA SEQUENCE GDNFYFTGVH DANDKRFQET FEDVFSDRAL RNIPWYVLAG NHDHLGNVSA DATA SEQUENCE QIAYSKISKR WNFPSPYYRL RFKVPRSNIT VAIFMLDTVM LcGNSXXXXX DATA SEQUENCE XXXXXXXXXX VARTQLSWLK KQLAAAKEDY VLVAGHYPIW SIAEHGPTRc DATA SEQUENCE LVKNLRPLLA AYGVTAYLCG HDHNLQYLQD ENGVGYVLSG AGNFMDPSVR DATA SEQUENCE HQRKVPNGYL RFHYGSEDSL GGFTYVEIGS KEMSITYVEA SGKSLFKTSL DATA SEQUENCE PR 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.699 174.700 -0.002 0.000 1.109 1 T CA 0.000 62.104 62.100 0.007 0.000 1.349 1 T CB 0.000 68.872 68.868 0.007 0.000 0.612 2 A N 3.156 125.977 122.820 0.002 0.000 2.427 2 A HA 0.820 5.140 4.320 -0.000 0.000 0.298 2 A C -2.661 174.925 177.584 0.002 0.000 1.036 2 A CA -1.718 50.316 52.037 -0.004 0.000 0.701 2 A CB 1.125 20.116 19.000 -0.015 0.000 1.250 2 A HN 0.412 nan 8.150 nan 0.000 0.412 3 P HA 0.154 nan 4.420 nan 0.000 0.311 3 P C 0.092 177.394 177.300 0.002 0.000 1.543 3 P CA 0.767 63.869 63.100 0.003 0.000 0.766 3 P CB -0.270 31.431 31.700 0.001 0.000 1.711 4 A N 0.454 123.275 122.820 0.002 0.000 2.309 4 A HA 0.242 4.562 4.320 -0.000 0.000 0.290 4 A C 1.092 178.676 177.584 0.000 0.000 1.206 4 A CA -0.189 51.848 52.037 -0.001 0.000 0.850 4 A CB 0.176 19.175 19.000 -0.001 0.000 1.118 4 A HN 0.126 nan 8.150 nan 0.000 0.523 5 S N 2.852 118.552 115.700 -0.001 0.000 3.227 5 S HA 0.240 4.710 4.470 -0.000 0.000 0.249 5 S C 0.563 175.159 174.600 -0.008 0.000 1.322 5 S CA 0.361 58.563 58.200 0.003 0.000 1.253 5 S CB -1.338 61.866 63.200 0.007 0.000 1.076 5 S HN 0.998 nan 8.310 nan 0.000 0.471 6 T N -0.204 114.338 114.554 -0.021 0.000 2.916 6 T HA 0.576 4.926 4.350 -0.000 0.000 0.292 6 T C -0.621 174.040 174.700 -0.066 0.000 1.055 6 T CA -1.003 61.065 62.100 -0.053 0.000 1.009 6 T CB 1.270 70.092 68.868 -0.076 0.000 1.118 6 T HN 0.139 nan 8.240 nan 0.000 0.497 7 L N 2.049 123.214 121.223 -0.097 0.000 2.361 7 L HA 0.533 4.873 4.340 -0.000 0.000 0.278 7 L C -0.002 176.737 176.870 -0.218 0.000 1.113 7 L CA 0.189 54.972 54.840 -0.093 0.000 0.849 7 L CB -0.209 41.810 42.059 -0.066 0.000 1.155 7 L HN 0.665 nan 8.230 nan 0.000 0.452 8 R N 5.075 125.422 120.500 -0.255 0.000 2.854 8 R HA 0.847 5.187 4.340 -0.000 0.000 0.271 8 R C -1.471 174.471 176.300 -0.597 0.000 0.996 8 R CA -0.561 55.239 56.100 -0.500 0.000 0.961 8 R CB 1.950 32.067 30.300 -0.305 0.000 1.182 8 R HN 0.618 nan 8.270 nan 0.000 0.479 9 F N -2.362 117.027 119.950 -0.935 0.000 2.740 9 F HA 0.390 4.917 4.527 -0.000 0.000 0.312 9 F C -1.913 173.468 175.800 -0.698 0.000 1.121 9 F CA -1.229 56.190 58.000 -0.969 0.000 0.977 9 F CB 0.346 38.253 39.000 -1.822 0.000 1.265 9 F HN 0.183 nan 8.300 nan 0.000 0.443 10 V N 2.123 121.931 119.914 -0.176 0.000 2.716 10 V HA 0.848 4.968 4.120 -0.000 0.000 0.304 10 V C -0.017 176.147 176.094 0.116 0.000 1.053 10 V CA -0.104 62.197 62.300 0.002 0.000 0.984 10 V CB 1.560 33.420 31.823 0.061 0.000 1.021 10 V HN 1.250 nan 8.190 nan 0.000 0.467 11 A N 4.428 127.351 122.820 0.173 0.000 2.466 11 A HA 0.751 5.071 4.320 -0.000 0.000 0.291 11 A C -0.751 176.957 177.584 0.207 0.000 1.234 11 A CA -0.460 51.691 52.037 0.189 0.000 0.752 11 A CB 0.955 20.111 19.000 0.261 0.000 1.153 11 A HN 0.805 nan 8.150 nan 0.000 0.458 12 V N 0.092 120.104 119.914 0.163 0.000 2.975 12 V HA 1.030 5.149 4.120 -0.000 0.000 0.318 12 V C 0.512 176.837 176.094 0.386 0.000 1.077 12 V CA -0.294 62.174 62.300 0.280 0.000 1.000 12 V CB 1.495 33.440 31.823 0.204 0.000 1.066 12 V HN 1.314 nan 8.190 nan 0.000 0.452 13 G N -0.640 108.456 108.800 0.493 0.000 2.718 13 G HA2 0.590 4.550 3.960 -0.000 0.000 0.295 13 G HA3 0.590 4.550 3.960 -0.000 0.000 0.295 13 G C -1.237 173.981 174.900 0.530 0.000 1.421 13 G CA -0.304 45.099 45.100 0.506 0.000 0.902 13 G HN 0.914 nan 8.290 nan 0.000 0.501 14 D N -0.209 120.447 120.400 0.428 0.000 2.699 14 D HA -0.110 4.530 4.640 -0.000 0.000 0.239 14 D C 0.394 176.949 176.300 0.425 0.000 1.136 14 D CA 1.665 55.962 54.000 0.496 0.000 0.668 14 D CB -0.880 40.281 40.800 0.601 0.000 1.060 14 D HN 0.579 nan 8.370 nan 0.000 0.429 15 W N -0.292 121.205 121.300 0.327 0.000 2.578 15 W HA 0.690 5.350 4.660 -0.000 0.000 0.364 15 W C 0.583 177.182 176.519 0.133 0.000 1.144 15 W CA -0.949 56.492 57.345 0.159 0.000 1.242 15 W CB 0.697 30.290 29.460 0.221 0.000 1.382 15 W HN 0.654 nan 8.180 nan 0.000 0.625 16 G N 0.072 108.902 108.800 0.052 0.000 3.238 16 G HA2 0.105 4.064 3.960 -0.000 0.000 0.684 16 G HA3 0.105 4.064 3.960 -0.000 0.000 0.684 16 G C 0.089 174.756 174.900 -0.388 0.000 1.156 16 G CA -0.484 44.419 45.100 -0.329 0.000 1.048 16 G HN 1.248 nan 8.290 nan 0.000 0.462 17 G N 0.419 108.825 108.800 -0.656 0.000 3.327 17 G HA2 0.537 4.497 3.960 -0.000 0.000 0.240 17 G HA3 0.537 4.497 3.960 -0.000 0.000 0.240 17 G C 1.018 175.650 174.900 -0.447 0.000 1.222 17 G CA 0.784 45.562 45.100 -0.537 0.000 0.871 17 G HN 1.885 nan 8.290 nan 0.000 0.525 18 V N -2.851 116.882 119.914 -0.301 0.000 3.264 18 V HA 0.471 4.591 4.120 -0.000 0.000 0.304 18 V C -1.798 174.069 176.094 -0.378 0.000 1.086 18 V CA -2.118 59.947 62.300 -0.392 0.000 1.090 18 V CB 1.169 32.397 31.823 -0.993 0.000 1.112 18 V HN -0.053 nan 8.190 nan 0.000 0.472 19 P HA 0.238 nan 4.420 nan 0.000 0.317 19 P C -0.302 176.988 177.300 -0.018 0.000 1.316 19 P CA -0.101 63.034 63.100 0.058 0.000 0.744 19 P CB 0.112 32.007 31.700 0.325 0.000 1.521 20 N N -3.616 115.164 118.700 0.133 0.000 6.932 20 N HA -0.121 4.619 4.740 -0.000 0.000 0.423 20 N C -1.117 174.418 175.510 0.042 0.000 0.940 20 N CA 0.945 54.044 53.050 0.081 0.000 1.283 20 N CB -1.554 36.951 38.487 0.031 0.000 0.827 20 N HN 0.547 nan 8.380 nan 0.000 0.267 21 A N 0.429 123.255 122.820 0.011 0.000 2.330 21 A HA 0.778 5.098 4.320 -0.000 0.000 0.313 21 A C -1.837 175.684 177.584 -0.105 0.000 1.124 21 A CA -0.728 51.300 52.037 -0.016 0.000 0.774 21 A CB 0.880 19.895 19.000 0.025 0.000 1.198 21 A HN 0.486 nan 8.150 nan 0.000 0.465 22 P HA 0.403 nan 4.420 nan 0.000 0.342 22 P C 0.296 177.490 177.300 -0.177 0.000 1.384 22 P CA -0.236 62.732 63.100 -0.220 0.000 0.837 22 P CB 0.253 31.639 31.700 -0.523 0.000 2.025 23 F N -0.578 119.224 119.950 -0.247 0.000 2.678 23 F HA 0.198 4.724 4.527 -0.000 0.000 0.305 23 F C 0.441 176.176 175.800 -0.108 0.000 1.090 23 F CA -0.246 57.619 58.000 -0.224 0.000 1.272 23 F CB -0.234 38.705 39.000 -0.101 0.000 1.060 23 F HN 0.160 nan 8.300 nan 0.000 0.576 24 H N -0.996 117.877 119.070 -0.329 0.000 2.771 24 H HA 0.645 5.201 4.556 -0.000 0.000 0.367 24 H C -0.837 174.320 175.328 -0.286 0.000 1.172 24 H CA -0.411 55.399 56.048 -0.398 0.000 1.186 24 H CB 1.245 30.856 29.762 -0.251 0.000 1.790 24 H HN 0.051 nan 8.280 nan 0.000 0.556 25 T N -2.883 111.582 114.554 -0.148 0.000 2.932 25 T HA 0.533 4.883 4.350 -0.000 0.000 0.289 25 T C 1.374 176.041 174.700 -0.055 0.000 1.039 25 T CA -0.374 61.628 62.100 -0.163 0.000 1.024 25 T CB 1.834 70.512 68.868 -0.316 0.000 1.090 25 T HN 0.764 nan 8.240 nan 0.000 0.496 26 A N 1.298 124.092 122.820 -0.043 0.000 1.940 26 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 26 A C 2.441 179.994 177.584 -0.051 0.000 1.190 26 A CA 1.801 53.823 52.037 -0.025 0.000 0.647 26 A CB -0.837 18.150 19.000 -0.020 0.000 0.821 26 A HN 0.901 nan 8.150 nan 0.000 0.457 27 R N -1.077 119.377 120.500 -0.078 0.000 2.066 27 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 27 R C 2.387 178.642 176.300 -0.074 0.000 1.131 27 R CA 1.348 57.406 56.100 -0.070 0.000 0.955 27 R CB -0.365 29.881 30.300 -0.090 0.000 0.851 27 R HN 0.812 nan 8.270 nan 0.000 0.432 28 E N 0.634 120.769 120.200 -0.108 0.000 2.058 28 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 28 E C 2.001 178.508 176.600 -0.156 0.000 0.997 28 E CA 1.260 57.620 56.400 -0.067 0.000 0.801 28 E CB 0.110 29.773 29.700 -0.062 0.000 0.746 28 E HN 0.120 nan 8.360 nan 0.000 0.450 29 M N 0.617 120.110 119.600 -0.178 0.000 2.088 29 M HA -0.225 4.255 4.480 -0.000 0.000 0.256 29 M C 2.509 178.681 176.300 -0.213 0.000 1.071 29 M CA 1.789 56.938 55.300 -0.252 0.000 1.097 29 M CB -1.419 31.048 32.600 -0.221 0.000 1.315 29 M HN 0.275 nan 8.290 nan 0.000 0.406 30 A N 0.476 123.220 122.820 -0.125 0.000 1.892 30 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 30 A C 2.002 179.538 177.584 -0.080 0.000 1.188 30 A CA 2.422 54.413 52.037 -0.077 0.000 0.631 30 A CB -1.193 17.795 19.000 -0.021 0.000 0.822 30 A HN 0.588 nan 8.150 nan 0.000 0.447 31 N N -0.034 118.621 118.700 -0.075 0.000 2.166 31 N HA 0.000 4.740 4.740 -0.000 0.000 0.186 31 N C 1.827 177.177 175.510 -0.267 0.000 1.019 31 N CA 1.381 54.380 53.050 -0.084 0.000 0.856 31 N CB -0.319 38.176 38.487 0.013 0.000 0.993 31 N HN 0.500 nan 8.380 nan 0.000 0.426 32 A N 1.162 123.721 122.820 -0.435 0.000 1.877 32 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 32 A C 2.061 179.403 177.584 -0.403 0.000 1.186 32 A CA 1.651 53.236 52.037 -0.754 0.000 0.620 32 A CB -0.579 17.806 19.000 -1.025 0.000 0.822 32 A HN 0.287 nan 8.150 nan 0.000 0.443 33 K N -0.629 119.604 120.400 -0.278 0.000 2.057 33 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 33 K C 2.007 178.540 176.600 -0.111 0.000 1.049 33 K CA 1.829 58.015 56.287 -0.169 0.000 0.931 33 K CB -0.116 32.309 32.500 -0.126 0.000 0.714 33 K HN 0.367 nan 8.250 nan 0.000 0.440 34 E N 0.961 121.108 120.200 -0.087 0.000 2.112 34 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 34 E C 1.737 178.315 176.600 -0.038 0.000 0.979 34 E CA 1.105 57.507 56.400 0.002 0.000 0.814 34 E CB -0.106 29.679 29.700 0.143 0.000 0.762 34 E HN 0.429 nan 8.360 nan 0.000 0.460 35 I N 0.277 120.691 120.570 -0.259 0.000 2.493 35 I HA -0.200 3.970 4.170 -0.000 0.000 0.254 35 I C 2.167 178.221 176.117 -0.106 0.000 1.160 35 I CA 0.866 61.952 61.300 -0.358 0.000 1.445 35 I CB -0.257 37.465 38.000 -0.464 0.000 1.086 35 I HN 0.155 nan 8.210 nan 0.000 0.433 36 A N 0.861 123.629 122.820 -0.086 0.000 1.898 36 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 36 A C 2.414 179.984 177.584 -0.023 0.000 1.183 36 A CA 1.353 53.368 52.037 -0.037 0.000 0.622 36 A CB -0.442 18.523 19.000 -0.059 0.000 0.824 36 A HN 0.319 nan 8.150 nan 0.000 0.444 37 R N -0.857 119.627 120.500 -0.027 0.000 2.062 37 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 37 R C 2.134 178.422 176.300 -0.020 0.000 1.128 37 R CA 1.944 58.032 56.100 -0.020 0.000 0.960 37 R CB -0.757 29.533 30.300 -0.017 0.000 0.855 37 R HN 0.389 nan 8.270 nan 0.000 0.432 38 T N 0.057 114.613 114.554 0.003 0.000 2.721 38 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 38 T C 1.570 176.228 174.700 -0.069 0.000 1.038 38 T CA 1.589 63.673 62.100 -0.026 0.000 1.145 38 T CB -0.221 68.721 68.868 0.124 0.000 0.858 38 T HN 0.173 nan 8.240 nan 0.000 0.459 39 V N 0.509 120.420 119.914 -0.004 0.000 3.306 39 V HA -0.022 4.098 4.120 -0.000 0.000 0.264 39 V C 2.064 178.159 176.094 0.003 0.000 1.149 39 V CA 1.245 63.557 62.300 0.021 0.000 1.143 39 V CB -0.383 31.470 31.823 0.049 0.000 0.767 39 V HN 0.528 nan 8.190 nan 0.000 0.476 40 Q N -0.190 119.603 119.800 -0.013 0.000 2.062 40 Q HA -0.057 4.283 4.340 -0.000 0.000 0.196 40 Q C 2.116 178.100 176.000 -0.026 0.000 0.967 40 Q CA 2.013 57.809 55.803 -0.013 0.000 0.832 40 Q CB -0.062 28.666 28.738 -0.016 0.000 0.899 40 Q HN 0.616 nan 8.270 nan 0.000 0.442 41 I N -0.153 120.388 120.570 -0.048 0.000 2.130 41 I HA -0.228 3.942 4.170 -0.000 0.000 0.234 41 I C 2.065 178.134 176.117 -0.080 0.000 1.067 41 I CA 1.055 62.315 61.300 -0.066 0.000 1.339 41 I CB -0.139 37.809 38.000 -0.087 0.000 1.073 41 I HN 0.187 nan 8.210 nan 0.000 0.405 42 M N 0.275 119.795 119.600 -0.135 0.000 2.288 42 M HA 0.188 4.668 4.480 -0.000 0.000 0.266 42 M C 0.872 177.168 176.300 -0.006 0.000 1.072 42 M CA 0.597 55.815 55.300 -0.137 0.000 1.132 42 M CB -0.329 32.018 32.600 -0.422 0.000 1.386 42 M HN 0.405 nan 8.290 nan 0.000 0.432 43 G N -0.087 108.724 108.800 0.017 0.000 2.721 43 G HA2 0.245 4.204 3.960 -0.000 0.000 0.686 43 G HA3 0.245 4.204 3.960 -0.000 0.000 0.686 43 G C -0.855 174.120 174.900 0.124 0.000 1.236 43 G CA -0.575 44.560 45.100 0.058 0.000 0.786 43 G HN 0.836 nan 8.290 nan 0.000 0.616 44 A N 1.274 124.140 122.820 0.078 0.000 2.455 44 A HA 0.776 5.095 4.320 -0.000 0.000 0.300 44 A C 0.556 178.137 177.584 -0.004 0.000 1.040 44 A CA 0.415 52.466 52.037 0.023 0.000 0.697 44 A CB 1.393 20.410 19.000 0.029 0.000 1.265 44 A HN 0.556 nan 8.150 nan 0.000 0.407 45 D N 0.651 121.017 120.400 -0.057 0.000 2.103 45 D HA 0.146 4.786 4.640 -0.000 0.000 0.199 45 D C 0.489 176.909 176.300 0.199 0.000 0.978 45 D CA 2.561 56.609 54.000 0.081 0.000 0.829 45 D CB -0.078 40.798 40.800 0.128 0.000 0.981 45 D HN 0.605 nan 8.370 nan 0.000 0.464 46 F N -1.602 118.375 119.950 0.045 0.000 2.923 46 F HA 0.604 5.131 4.527 -0.000 0.000 0.323 46 F C -1.601 174.108 175.800 -0.151 0.000 1.189 46 F CA -1.450 56.539 58.000 -0.019 0.000 0.930 46 F CB 1.176 40.282 39.000 0.176 0.000 1.414 46 F HN -0.357 nan 8.300 nan 0.000 0.496 47 I N 2.523 123.086 120.570 -0.012 0.000 2.569 47 I HA 0.434 4.604 4.170 -0.000 0.000 0.290 47 I C -1.104 174.842 176.117 -0.285 0.000 1.088 47 I CA -0.907 60.126 61.300 -0.445 0.000 1.047 47 I CB 2.248 39.434 38.000 -1.356 0.000 1.237 47 I HN 0.820 nan 8.210 nan 0.000 0.421 48 M N 3.876 123.408 119.600 -0.113 0.000 2.227 48 M HA 0.571 5.051 4.480 -0.000 0.000 0.335 48 M C -0.726 175.551 176.300 -0.039 0.000 1.053 48 M CA -0.160 55.123 55.300 -0.028 0.000 0.973 48 M CB 1.973 34.587 32.600 0.024 0.000 1.623 48 M HN 0.433 nan 8.290 nan 0.000 0.434 49 S N 3.245 118.979 115.700 0.057 0.000 2.489 49 S HA 0.448 4.918 4.470 -0.000 0.000 0.277 49 S C 0.433 175.147 174.600 0.190 0.000 1.230 49 S CA -0.751 57.621 58.200 0.288 0.000 1.053 49 S CB 0.360 63.850 63.200 0.483 0.000 0.955 49 S HN 0.889 nan 8.310 nan 0.000 0.488 50 L N 4.804 126.185 121.223 0.264 0.000 2.629 50 L HA 0.390 4.730 4.340 -0.000 0.000 0.230 50 L C 1.080 178.137 176.870 0.311 0.000 1.151 50 L CA 0.173 55.150 54.840 0.228 0.000 0.924 50 L CB -0.606 41.598 42.059 0.242 0.000 1.137 50 L HN 0.921 nan 8.230 nan 0.000 0.457 51 G N -1.196 107.706 108.800 0.170 0.000 2.406 51 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.680 51 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.680 51 G C -0.882 173.850 174.900 -0.280 0.000 1.338 51 G CA -0.885 44.144 45.100 -0.119 0.000 0.941 51 G HN 0.035 nan 8.290 nan 0.000 0.633 52 D N -0.236 119.840 120.400 -0.539 0.000 2.718 52 D HA -0.137 4.503 4.640 -0.000 0.000 0.242 52 D C 1.402 177.254 176.300 -0.747 0.000 1.123 52 D CA 1.094 54.750 54.000 -0.573 0.000 0.690 52 D CB -0.695 39.800 40.800 -0.508 0.000 1.059 52 D HN 0.514 nan 8.370 nan 0.000 0.429 53 N N -0.584 117.672 118.700 -0.740 0.000 2.223 53 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 53 N C 0.530 175.024 175.510 -1.694 0.000 1.016 53 N CA 1.068 53.288 53.050 -1.382 0.000 0.863 53 N CB 0.066 38.117 38.487 -0.728 0.000 0.983 53 N HN 0.332 nan 8.380 nan 0.000 0.429 54 F N -0.735 119.036 119.950 -0.299 0.000 2.949 54 F HA 0.261 4.788 4.527 -0.000 0.000 0.376 54 F C 0.491 176.259 175.800 -0.054 0.000 1.205 54 F CA -1.063 56.919 58.000 -0.030 0.000 1.155 54 F CB 0.217 39.224 39.000 0.011 0.000 1.495 54 F HN -0.207 nan 8.300 nan 0.000 0.551 55 Y N 0.671 120.948 120.300 -0.039 0.000 2.144 55 Y HA -0.371 4.179 4.550 -0.000 0.000 0.277 55 Y C 1.916 177.916 175.900 0.167 0.000 1.229 55 Y CA 2.209 60.280 58.100 -0.048 0.000 1.144 55 Y CB -0.218 38.151 38.460 -0.152 0.000 0.953 55 Y HN 0.452 nan 8.280 nan 0.000 0.515 56 F N -2.228 117.832 119.950 0.183 0.000 2.383 56 F HA 0.176 4.703 4.527 -0.000 0.000 0.287 56 F C 0.742 176.747 175.800 0.341 0.000 1.069 56 F CA 0.721 58.872 58.000 0.252 0.000 1.402 56 F CB -0.536 38.608 39.000 0.240 0.000 1.116 56 F HN -0.332 nan 8.300 nan 0.000 0.549 57 T N -0.466 114.338 114.554 0.416 0.000 3.143 57 T HA 0.457 4.807 4.350 -0.000 0.000 0.312 57 T C 0.220 175.022 174.700 0.170 0.000 0.986 57 T CA -0.658 61.591 62.100 0.248 0.000 1.024 57 T CB 1.512 70.477 68.868 0.163 0.000 1.030 57 T HN 0.167 nan 8.240 nan 0.000 0.448 58 G N 2.141 111.025 108.800 0.139 0.000 2.741 58 G HA2 0.477 4.437 3.960 -0.000 0.000 0.301 58 G HA3 0.477 4.437 3.960 -0.000 0.000 0.301 58 G C 0.105 174.966 174.900 -0.065 0.000 0.834 58 G CA -0.254 44.924 45.100 0.131 0.000 1.683 58 G HN 1.016 nan 8.290 nan 0.000 0.506 59 V N 1.995 121.772 119.914 -0.228 0.000 3.360 59 V HA -0.220 3.900 4.120 -0.000 0.000 0.481 59 V C 1.014 176.911 176.094 -0.328 0.000 0.682 59 V CA -0.091 61.967 62.300 -0.403 0.000 2.023 59 V CB -1.576 29.955 31.823 -0.487 0.000 2.472 59 V HN 0.917 nan 8.190 nan 0.000 0.501 60 H N 2.095 121.026 119.070 -0.231 0.000 2.347 60 H HA 0.101 4.657 4.556 -0.000 0.000 0.321 60 H C 0.741 175.967 175.328 -0.171 0.000 1.075 60 H CA 1.098 57.041 56.048 -0.174 0.000 1.454 60 H CB 0.092 29.741 29.762 -0.188 0.000 1.477 60 H HN 0.770 nan 8.280 nan 0.000 0.571 61 D N 1.448 121.842 120.400 -0.010 0.000 2.493 61 D HA 0.107 4.746 4.640 -0.000 0.000 0.240 61 D C 0.125 176.354 176.300 -0.117 0.000 1.142 61 D CA 0.112 54.066 54.000 -0.078 0.000 0.872 61 D CB 0.655 41.396 40.800 -0.099 0.000 1.173 61 D HN 0.319 nan 8.370 nan 0.000 0.467 62 A N 4.094 126.859 122.820 -0.090 0.000 2.500 62 A HA 0.033 4.353 4.320 -0.000 0.000 0.285 62 A C 1.044 178.584 177.584 -0.073 0.000 1.183 62 A CA -0.187 51.797 52.037 -0.089 0.000 0.851 62 A CB -0.356 18.604 19.000 -0.068 0.000 1.091 62 A HN 0.696 nan 8.150 nan 0.000 0.521 63 N N 1.416 120.065 118.700 -0.085 0.000 2.366 63 N HA -0.184 4.556 4.740 -0.000 0.000 0.211 63 N C 0.473 175.980 175.510 -0.005 0.000 1.174 63 N CA 1.916 54.998 53.050 0.054 0.000 2.731 63 N CB -1.297 37.229 38.487 0.064 0.000 0.831 63 N HN 0.744 nan 8.380 nan 0.000 0.452 64 D N 1.291 121.651 120.400 -0.067 0.000 2.312 64 D HA -0.046 4.594 4.640 -0.000 0.000 0.211 64 D C 0.943 177.153 176.300 -0.150 0.000 0.964 64 D CA 0.526 54.477 54.000 -0.081 0.000 0.877 64 D CB 0.079 40.836 40.800 -0.072 0.000 0.924 64 D HN 0.218 nan 8.370 nan 0.000 0.515 65 K N 1.922 122.185 120.400 -0.228 0.000 2.491 65 K HA -0.052 4.267 4.320 -0.000 0.000 0.279 65 K C 1.091 177.483 176.600 -0.347 0.000 1.026 65 K CA 0.192 56.288 56.287 -0.319 0.000 1.070 65 K CB 0.345 32.588 32.500 -0.429 0.000 0.887 65 K HN 0.030 nan 8.250 nan 0.000 0.481 66 R N 2.919 123.228 120.500 -0.318 0.000 2.241 66 R HA -0.115 4.224 4.340 -0.000 0.000 0.224 66 R C 1.431 177.660 176.300 -0.119 0.000 1.101 66 R CA 0.924 56.904 56.100 -0.199 0.000 0.995 66 R CB -0.097 30.121 30.300 -0.136 0.000 0.870 66 R HN 0.456 nan 8.270 nan 0.000 0.463 67 F N 1.081 120.795 119.950 -0.392 0.000 2.325 67 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 67 F C 2.372 177.735 175.800 -0.727 0.000 1.090 67 F CA 0.744 58.401 58.000 -0.572 0.000 1.392 67 F CB -0.649 37.998 39.000 -0.587 0.000 1.053 67 F HN -0.045 nan 8.300 nan 0.000 0.521 68 Q N 0.358 119.751 119.800 -0.678 0.000 2.297 68 Q HA -0.182 4.158 4.340 -0.000 0.000 0.208 68 Q C 1.833 177.737 176.000 -0.160 0.000 0.981 68 Q CA 1.110 56.436 55.803 -0.795 0.000 0.876 68 Q CB -0.178 27.712 28.738 -1.414 0.000 0.921 68 Q HN 0.438 nan 8.270 nan 0.000 0.446 69 E N -0.393 119.749 120.200 -0.097 0.000 2.075 69 E HA -0.023 4.327 4.350 -0.000 0.000 0.190 69 E C 1.870 178.513 176.600 0.072 0.000 0.969 69 E CA 0.906 57.333 56.400 0.045 0.000 0.815 69 E CB -0.284 29.433 29.700 0.029 0.000 0.776 69 E HN 0.272 nan 8.360 nan 0.000 0.457 70 T N 1.728 116.296 114.554 0.023 0.000 3.077 70 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 70 T C 1.442 176.436 174.700 0.491 0.000 1.146 70 T CA 0.700 62.921 62.100 0.200 0.000 1.091 70 T CB -0.338 68.710 68.868 0.300 0.000 0.892 70 T HN 0.204 nan 8.240 nan 0.000 0.533 71 F N 2.089 122.152 119.950 0.189 0.000 2.220 71 F HA 0.246 4.773 4.527 -0.000 0.000 0.290 71 F C 2.124 178.134 175.800 0.351 0.000 1.080 71 F CA 0.615 59.003 58.000 0.647 0.000 1.318 71 F CB -0.399 38.920 39.000 0.532 0.000 1.063 71 F HN -0.027 nan 8.300 nan 0.000 0.498 72 E N 0.740 120.593 120.200 -0.578 0.000 2.118 72 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 72 E C 1.534 177.955 176.600 -0.297 0.000 0.992 72 E CA 2.094 58.097 56.400 -0.661 0.000 0.804 72 E CB -0.359 29.275 29.700 -0.110 0.000 0.741 72 E HN 0.533 nan 8.360 nan 0.000 0.458 73 D N -1.322 119.031 120.400 -0.078 0.000 2.194 73 D HA -0.066 4.574 4.640 -0.000 0.000 0.204 73 D C 1.769 178.057 176.300 -0.021 0.000 0.964 73 D CA 0.513 54.508 54.000 -0.009 0.000 0.846 73 D CB 0.143 40.985 40.800 0.072 0.000 0.962 73 D HN 0.047 nan 8.370 nan 0.000 0.490 74 V N 0.058 120.005 119.914 0.054 0.000 2.323 74 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 74 V C 0.742 176.680 176.094 -0.259 0.000 1.041 74 V CA 1.027 63.296 62.300 -0.051 0.000 1.025 74 V CB -0.303 31.612 31.823 0.154 0.000 0.656 74 V HN 0.130 nan 8.190 nan 0.000 0.451 75 F N 1.548 121.345 119.950 -0.254 0.000 2.871 75 F HA 0.263 4.790 4.527 -0.000 0.000 0.317 75 F C 0.848 176.521 175.800 -0.211 0.000 1.193 75 F CA -0.316 57.543 58.000 -0.234 0.000 1.311 75 F CB -0.355 38.459 39.000 -0.309 0.000 1.380 75 F HN 0.051 nan 8.300 nan 0.000 0.557 76 S N -0.030 115.610 115.700 -0.101 0.000 2.520 76 S HA 0.579 5.049 4.470 -0.000 0.000 0.324 76 S C -0.955 173.605 174.600 -0.068 0.000 1.069 76 S CA -0.558 57.598 58.200 -0.073 0.000 1.121 76 S CB 1.537 64.692 63.200 -0.075 0.000 0.971 76 S HN 0.314 nan 8.310 nan 0.000 0.463 77 D N 2.328 122.708 120.400 -0.033 0.000 2.633 77 D HA 0.088 4.728 4.640 -0.000 0.000 0.198 77 D C 1.104 177.403 176.300 -0.003 0.000 1.273 77 D CA -0.483 53.498 54.000 -0.031 0.000 0.830 77 D CB 1.269 42.038 40.800 -0.051 0.000 1.771 77 D HN 0.659 nan 8.370 nan 0.000 0.547 78 R N 2.274 122.772 120.500 -0.003 0.000 2.228 78 R HA -0.250 4.090 4.340 -0.000 0.000 0.259 78 R C 1.517 177.829 176.300 0.020 0.000 1.183 78 R CA 2.030 58.135 56.100 0.009 0.000 1.002 78 R CB -0.548 29.754 30.300 0.003 0.000 0.879 78 R HN 0.218 nan 8.270 nan 0.000 0.467 79 A N 1.881 124.711 122.820 0.017 0.000 1.873 79 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 79 A C 2.254 179.869 177.584 0.053 0.000 1.186 79 A CA 1.247 53.300 52.037 0.026 0.000 0.616 79 A CB -0.295 18.712 19.000 0.012 0.000 0.823 79 A HN 0.316 nan 8.150 nan 0.000 0.442 80 L N -1.128 120.139 121.223 0.073 0.000 2.558 80 L HA 0.103 4.443 4.340 -0.000 0.000 0.225 80 L C 2.270 179.221 176.870 0.135 0.000 1.128 80 L CA 0.413 55.335 54.840 0.136 0.000 0.868 80 L CB -0.410 41.777 42.059 0.213 0.000 1.006 80 L HN 0.448 nan 8.230 nan 0.000 0.454 81 R N 1.435 121.984 120.500 0.082 0.000 2.294 81 R HA -0.243 4.097 4.340 -0.000 0.000 0.250 81 R C 0.798 177.146 176.300 0.080 0.000 1.181 81 R CA 1.763 57.902 56.100 0.065 0.000 1.016 81 R CB -0.074 30.249 30.300 0.039 0.000 0.869 81 R HN 0.332 nan 8.270 nan 0.000 0.476 82 N N -0.722 118.037 118.700 0.099 0.000 2.286 82 N HA 0.146 4.886 4.740 -0.000 0.000 0.245 82 N C -1.544 174.042 175.510 0.126 0.000 1.363 82 N CA -0.313 52.798 53.050 0.101 0.000 0.822 82 N CB 0.672 39.203 38.487 0.074 0.000 1.345 82 N HN -0.019 nan 8.380 nan 0.000 0.494 83 I N 1.889 122.560 120.570 0.168 0.000 2.315 83 I HA 0.408 4.577 4.170 -0.000 0.000 0.291 83 I C -2.026 174.228 176.117 0.227 0.000 1.006 83 I CA -2.246 59.155 61.300 0.169 0.000 1.265 83 I CB 0.629 38.711 38.000 0.135 0.000 1.387 83 I HN -0.070 nan 8.210 nan 0.000 0.475 84 P HA -0.043 nan 4.420 nan 0.000 0.265 84 P C -1.166 176.121 177.300 -0.022 0.000 1.187 84 P CA 0.353 63.483 63.100 0.050 0.000 0.766 84 P CB 0.335 32.030 31.700 -0.009 0.000 0.820 85 W N 2.639 123.721 121.300 -0.363 0.000 2.656 85 W HA 0.388 5.048 4.660 -0.000 0.000 0.327 85 W C -0.966 175.131 176.519 -0.704 0.000 1.041 85 W CA 0.185 57.300 57.345 -0.384 0.000 1.229 85 W CB 1.028 30.326 29.460 -0.270 0.000 1.397 85 W HN 0.301 nan 8.180 nan 0.000 0.479 86 Y N 2.992 123.268 120.300 -0.039 0.000 2.356 86 Y HA 0.525 5.075 4.550 -0.000 0.000 0.334 86 Y C 0.227 176.000 175.900 -0.211 0.000 0.958 86 Y CA -1.175 56.847 58.100 -0.131 0.000 1.196 86 Y CB 0.796 39.159 38.460 -0.163 0.000 1.137 86 Y HN -0.025 nan 8.280 nan 0.000 0.485 87 V N 4.913 124.621 119.914 -0.342 0.000 2.837 87 V HA 0.466 4.586 4.120 -0.000 0.000 0.310 87 V C -0.075 175.549 176.094 -0.784 0.000 1.059 87 V CA -0.933 60.985 62.300 -0.636 0.000 1.004 87 V CB 2.002 33.147 31.823 -1.131 0.000 1.045 87 V HN 0.630 nan 8.190 nan 0.000 0.465 88 L N 1.678 122.567 121.223 -0.557 0.000 2.371 88 L HA 0.762 5.102 4.340 -0.000 0.000 0.262 88 L C -0.010 176.774 176.870 -0.144 0.000 1.006 88 L CA -0.883 53.754 54.840 -0.337 0.000 0.818 88 L CB 2.145 44.148 42.059 -0.093 0.000 1.354 88 L HN 0.753 nan 8.230 nan 0.000 0.415 89 A N 1.339 124.234 122.820 0.125 0.000 2.354 89 A HA 0.627 4.947 4.320 -0.000 0.000 0.281 89 A C 0.238 177.821 177.584 -0.002 0.000 1.174 89 A CA 0.103 52.249 52.037 0.182 0.000 0.828 89 A CB 0.547 19.747 19.000 0.334 0.000 1.099 89 A HN 0.797 nan 8.150 nan 0.000 0.516 90 G N 0.983 109.665 108.800 -0.197 0.000 2.568 90 G HA2 0.355 4.315 3.960 -0.000 0.000 0.293 90 G HA3 0.355 4.315 3.960 -0.000 0.000 0.293 90 G C 0.792 175.557 174.900 -0.225 0.000 1.347 90 G CA 0.047 44.754 45.100 -0.656 0.000 1.039 90 G HN 0.759 nan 8.290 nan 0.000 0.523 91 N N -1.113 117.491 118.700 -0.160 0.000 2.250 91 N HA -0.130 4.610 4.740 -0.000 0.000 0.181 91 N C 1.388 176.906 175.510 0.014 0.000 1.017 91 N CA 1.077 54.160 53.050 0.055 0.000 0.866 91 N CB -0.432 38.190 38.487 0.225 0.000 0.985 91 N HN 0.569 nan 8.380 nan 0.000 0.429 92 H N 1.008 120.090 119.070 0.021 0.000 2.457 92 H HA 0.012 4.568 4.556 -0.000 0.000 0.294 92 H C 0.645 175.981 175.328 0.014 0.000 1.064 92 H CA 0.994 57.058 56.048 0.028 0.000 1.330 92 H CB 0.174 29.903 29.762 -0.055 0.000 1.395 92 H HN 0.368 nan 8.280 nan 0.000 0.541 93 D N -0.116 120.314 120.400 0.050 0.000 2.312 93 D HA -0.086 4.554 4.640 -0.000 0.000 0.211 93 D C 1.357 177.612 176.300 -0.075 0.000 0.964 93 D CA 0.621 54.625 54.000 0.006 0.000 0.877 93 D CB 0.001 40.786 40.800 -0.024 0.000 0.924 93 D HN 0.512 nan 8.370 nan 0.000 0.515 94 H N -0.055 119.030 119.070 0.025 0.000 2.539 94 H HA 0.196 4.752 4.556 -0.000 0.000 0.269 94 H C 1.693 177.034 175.328 0.021 0.000 0.980 94 H CA 0.080 56.141 56.048 0.021 0.000 1.152 94 H CB 0.741 30.507 29.762 0.008 0.000 1.407 94 H HN 0.145 nan 8.280 nan 0.000 0.564 95 L N -0.501 120.788 121.223 0.109 0.000 2.607 95 L HA 0.214 4.554 4.340 -0.000 0.000 0.228 95 L C 1.324 178.234 176.870 0.067 0.000 1.123 95 L CA -0.021 54.872 54.840 0.088 0.000 0.890 95 L CB 0.539 42.655 42.059 0.094 0.000 1.103 95 L HN 0.102 nan 8.230 nan 0.000 0.468 96 G N -1.249 107.574 108.800 0.038 0.000 3.211 96 G HA2 0.141 4.101 3.960 -0.000 0.000 0.262 96 G HA3 0.141 4.101 3.960 -0.000 0.000 0.262 96 G C -1.053 173.830 174.900 -0.029 0.000 1.352 96 G CA -0.515 44.578 45.100 -0.011 0.000 1.004 96 G HN -0.090 nan 8.290 nan 0.000 0.559 97 N N 0.181 118.845 118.700 -0.060 0.000 2.402 97 N HA 0.151 4.891 4.740 -0.000 0.000 0.252 97 N C 1.178 176.626 175.510 -0.104 0.000 1.118 97 N CA -0.231 52.779 53.050 -0.068 0.000 0.945 97 N CB 1.381 39.827 38.487 -0.068 0.000 1.147 97 N HN 0.051 nan 8.380 nan 0.000 0.495 98 V N 2.840 122.678 119.914 -0.125 0.000 2.407 98 V HA -0.147 3.973 4.120 -0.000 0.000 0.245 98 V C 1.925 177.893 176.094 -0.209 0.000 1.041 98 V CA 1.464 63.652 62.300 -0.187 0.000 1.040 98 V CB -0.452 31.192 31.823 -0.298 0.000 0.671 98 V HN 0.662 nan 8.190 nan 0.000 0.455 99 S N 0.547 116.149 115.700 -0.163 0.000 2.440 99 S HA -0.207 4.262 4.470 -0.000 0.000 0.240 99 S C 2.142 176.652 174.600 -0.149 0.000 1.014 99 S CA 1.312 59.414 58.200 -0.163 0.000 0.980 99 S CB -0.431 62.705 63.200 -0.106 0.000 0.775 99 S HN 0.659 nan 8.310 nan 0.000 0.499 100 A N 1.760 124.502 122.820 -0.131 0.000 1.855 100 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 100 A C 2.140 179.658 177.584 -0.109 0.000 1.191 100 A CA 1.290 53.254 52.037 -0.122 0.000 0.613 100 A CB -0.627 18.282 19.000 -0.150 0.000 0.829 100 A HN 0.542 nan 8.150 nan 0.000 0.442 101 Q N -0.592 119.152 119.800 -0.094 0.000 2.224 101 Q HA -0.065 4.275 4.340 -0.000 0.000 0.203 101 Q C 2.006 178.123 176.000 0.196 0.000 0.970 101 Q CA 1.230 57.083 55.803 0.083 0.000 0.865 101 Q CB -0.308 28.672 28.738 0.403 0.000 0.922 101 Q HN 0.745 nan 8.270 nan 0.000 0.445 102 I N 0.663 121.101 120.570 -0.219 0.000 2.163 102 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 102 I C 2.399 178.510 176.117 -0.009 0.000 1.081 102 I CA 1.028 62.147 61.300 -0.302 0.000 1.353 102 I CB -0.385 37.342 38.000 -0.454 0.000 1.054 102 I HN 0.131 nan 8.210 nan 0.000 0.407 103 A N -0.226 122.571 122.820 -0.039 0.000 2.015 103 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 103 A C 2.223 179.823 177.584 0.027 0.000 1.163 103 A CA 1.093 53.120 52.037 -0.016 0.000 0.646 103 A CB -0.993 17.981 19.000 -0.043 0.000 0.806 103 A HN 0.540 nan 8.150 nan 0.000 0.448 104 Y N 2.043 122.280 120.300 -0.105 0.000 2.465 104 Y HA -0.204 4.346 4.550 -0.000 0.000 0.289 104 Y C 2.405 178.263 175.900 -0.070 0.000 1.150 104 Y CA 1.290 59.265 58.100 -0.208 0.000 1.293 104 Y CB -0.321 37.819 38.460 -0.532 0.000 0.977 104 Y HN 0.420 nan 8.280 nan 0.000 0.556 105 S N -1.397 114.400 115.700 0.160 0.000 2.660 105 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 105 S C 1.418 176.028 174.600 0.015 0.000 0.966 105 S CA 0.170 58.514 58.200 0.240 0.000 0.940 105 S CB -0.169 63.242 63.200 0.352 0.000 0.773 105 S HN 0.311 nan 8.310 nan 0.000 0.535 106 K N 0.587 120.935 120.400 -0.086 0.000 2.370 106 K HA 0.413 4.733 4.320 -0.000 0.000 0.194 106 K C 1.421 177.929 176.600 -0.153 0.000 1.070 106 K CA 0.197 56.430 56.287 -0.091 0.000 0.998 106 K CB 0.047 32.506 32.500 -0.068 0.000 0.911 106 K HN 0.444 nan 8.250 nan 0.000 0.533 107 I N 0.089 120.482 120.570 -0.296 0.000 3.035 107 I HA -0.002 4.168 4.170 -0.000 0.000 0.271 107 I C 0.685 176.584 176.117 -0.364 0.000 1.190 107 I CA 0.308 61.404 61.300 -0.339 0.000 1.472 107 I CB 0.441 38.181 38.000 -0.434 0.000 1.116 107 I HN -0.142 nan 8.210 nan 0.000 0.443 108 S N 0.742 116.171 115.700 -0.451 0.000 2.519 108 S HA 0.229 4.699 4.470 -0.000 0.000 0.309 108 S C 0.888 175.469 174.600 -0.031 0.000 1.100 108 S CA -0.835 57.233 58.200 -0.220 0.000 1.059 108 S CB 1.315 64.383 63.200 -0.221 0.000 1.008 108 S HN 0.284 nan 8.310 nan 0.000 0.478 109 K N 4.928 125.334 120.400 0.010 0.000 2.097 109 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 109 K C 1.846 178.497 176.600 0.085 0.000 1.050 109 K CA 1.162 57.471 56.287 0.038 0.000 0.938 109 K CB -0.266 32.252 32.500 0.029 0.000 0.718 109 K HN 0.646 nan 8.250 nan 0.000 0.442 110 R N -0.243 120.337 120.500 0.133 0.000 2.189 110 R HA -0.054 4.286 4.340 -0.000 0.000 0.218 110 R C 0.524 176.962 176.300 0.231 0.000 1.074 110 R CA 0.244 56.454 56.100 0.183 0.000 0.991 110 R CB -0.375 30.065 30.300 0.233 0.000 0.883 110 R HN 0.322 nan 8.270 nan 0.000 0.457 111 W N 2.970 124.313 121.300 0.072 0.000 2.388 111 W HA 0.253 4.913 4.660 -0.000 0.000 0.308 111 W C -1.517 175.040 176.519 0.064 0.000 1.263 111 W CA -0.514 56.891 57.345 0.100 0.000 1.286 111 W CB 0.426 29.990 29.460 0.173 0.000 1.294 111 W HN 0.072 nan 8.180 nan 0.000 0.493 112 N N 5.847 124.438 118.700 -0.180 0.000 2.407 112 N HA 0.335 5.075 4.740 -0.000 0.000 0.277 112 N C -1.447 174.004 175.510 -0.098 0.000 0.995 112 N CA -0.320 52.673 53.050 -0.094 0.000 0.903 112 N CB 1.053 39.436 38.487 -0.173 0.000 1.218 112 N HN 0.226 nan 8.380 nan 0.000 0.487 113 F N 4.710 124.583 119.950 -0.129 0.000 3.256 113 F HA 0.315 4.842 4.527 -0.000 0.000 0.406 113 F C -2.221 173.493 175.800 -0.144 0.000 1.157 113 F CA -2.010 55.923 58.000 -0.111 0.000 1.278 113 F CB 1.135 40.245 39.000 0.183 0.000 2.424 113 F HN 0.330 nan 8.300 nan 0.000 0.675 114 P HA -0.015 nan 4.420 nan 0.000 0.215 114 P C 0.453 177.652 177.300 -0.168 0.000 1.157 114 P CA 1.091 64.066 63.100 -0.210 0.000 0.859 114 P CB 0.968 32.455 31.700 -0.357 0.000 0.786 115 S N -2.333 113.317 115.700 -0.083 0.000 2.651 115 S HA 0.503 4.972 4.470 -0.000 0.000 0.279 115 S C -2.364 172.370 174.600 0.224 0.000 1.148 115 S CA -1.680 56.484 58.200 -0.060 0.000 0.837 115 S CB 1.302 64.383 63.200 -0.198 0.000 1.138 115 S HN -0.288 nan 8.310 nan 0.000 0.478 116 P HA 0.070 nan 4.420 nan 0.000 0.218 116 P C -0.750 176.855 177.300 0.507 0.000 1.148 116 P CA 1.333 64.638 63.100 0.341 0.000 0.822 116 P CB -0.170 31.672 31.700 0.237 0.000 0.784 117 Y N -2.395 118.047 120.300 0.237 0.000 2.492 117 Y HA 0.662 5.212 4.550 -0.000 0.000 0.346 117 Y C -0.674 175.263 175.900 0.062 0.000 0.997 117 Y CA -2.059 56.091 58.100 0.084 0.000 1.025 117 Y CB 0.647 39.111 38.460 0.006 0.000 1.263 117 Y HN -0.050 nan 8.280 nan 0.000 0.454 118 Y N -0.137 120.277 120.300 0.190 0.000 2.764 118 Y HA 0.679 5.229 4.550 -0.000 0.000 0.331 118 Y C -1.537 174.559 175.900 0.327 0.000 1.280 118 Y CA -1.985 56.188 58.100 0.123 0.000 1.065 118 Y CB 1.384 39.849 38.460 0.009 0.000 1.319 118 Y HN 0.870 nan 8.280 nan 0.000 0.453 119 R N 1.802 122.530 120.500 0.381 0.000 2.445 119 R HA 0.742 5.082 4.340 -0.000 0.000 0.308 119 R C -1.853 174.396 176.300 -0.085 0.000 0.961 119 R CA -0.601 55.485 56.100 -0.024 0.000 0.862 119 R CB 1.110 31.362 30.300 -0.081 0.000 1.144 119 R HN 0.883 nan 8.270 nan 0.000 0.447 120 L N 3.373 124.433 121.223 -0.271 0.000 2.330 120 L HA 0.623 4.963 4.340 -0.000 0.000 0.271 120 L C -0.271 176.374 176.870 -0.376 0.000 1.013 120 L CA -1.033 53.596 54.840 -0.350 0.000 0.816 120 L CB 2.058 43.908 42.059 -0.348 0.000 1.287 120 L HN 0.570 nan 8.230 nan 0.000 0.435 121 R N 1.396 121.557 120.500 -0.565 0.000 2.518 121 R HA 0.540 4.880 4.340 -0.000 0.000 0.296 121 R C -1.562 174.444 176.300 -0.490 0.000 1.080 121 R CA -0.250 55.641 56.100 -0.349 0.000 0.922 121 R CB 0.948 31.108 30.300 -0.233 0.000 1.184 121 R HN 0.306 nan 8.270 nan 0.000 0.445 122 F N 1.559 121.454 119.950 -0.092 0.000 2.611 122 F HA 0.633 5.160 4.527 -0.000 0.000 0.374 122 F C 0.027 175.830 175.800 0.005 0.000 1.110 122 F CA -0.864 57.120 58.000 -0.028 0.000 1.090 122 F CB 1.276 40.292 39.000 0.026 0.000 1.388 122 F HN 0.157 nan 8.300 nan 0.000 0.501 123 K N 0.590 121.135 120.400 0.241 0.000 2.543 123 K HA 0.545 4.865 4.320 -0.000 0.000 0.255 123 K C -1.550 175.117 176.600 0.112 0.000 0.934 123 K CA -0.801 55.567 56.287 0.135 0.000 0.810 123 K CB 2.040 34.593 32.500 0.088 0.000 1.315 123 K HN 0.544 nan 8.250 nan 0.000 0.433 124 V N 1.741 121.696 119.914 0.069 0.000 2.811 124 V HA 0.311 4.431 4.120 -0.000 0.000 0.302 124 V C -2.088 174.033 176.094 0.045 0.000 1.063 124 V CA -1.186 61.135 62.300 0.036 0.000 1.088 124 V CB 1.056 32.882 31.823 0.004 0.000 0.982 124 V HN 0.737 nan 8.190 nan 0.000 0.485 125 P HA -0.041 nan 4.420 nan 0.000 0.227 125 P C 0.605 177.924 177.300 0.032 0.000 1.145 125 P CA 0.989 64.111 63.100 0.036 0.000 0.769 125 P CB -0.025 31.692 31.700 0.029 0.000 0.769 126 R N -0.732 119.787 120.500 0.032 0.000 3.351 126 R HA 0.286 4.626 4.340 -0.000 0.000 0.296 126 R C 0.996 177.321 176.300 0.042 0.000 1.427 126 R CA -0.314 55.806 56.100 0.034 0.000 1.257 126 R CB -1.212 29.108 30.300 0.033 0.000 1.378 126 R HN 0.058 nan 8.270 nan 0.000 0.610 127 S N 1.423 117.148 115.700 0.042 0.000 4.149 127 S HA -0.369 4.100 4.470 -0.000 0.000 0.538 127 S C 1.535 176.167 174.600 0.054 0.000 1.671 127 S CA 1.911 60.138 58.200 0.044 0.000 4.030 127 S CB -0.736 62.486 63.200 0.036 0.000 1.255 127 S HN 0.569 nan 8.310 nan 0.000 0.471 128 N N 1.573 120.303 118.700 0.051 0.000 2.287 128 N HA -0.216 4.524 4.740 -0.000 0.000 0.195 128 N C 0.700 176.259 175.510 0.081 0.000 0.922 128 N CA 1.739 54.824 53.050 0.058 0.000 0.929 128 N CB -0.817 37.701 38.487 0.051 0.000 1.068 128 N HN 0.521 nan 8.380 nan 0.000 0.696 129 I N 2.763 123.392 120.570 0.097 0.000 2.574 129 I HA -0.032 4.138 4.170 -0.000 0.000 0.291 129 I C 0.718 176.918 176.117 0.137 0.000 1.131 129 I CA 0.578 61.967 61.300 0.149 0.000 1.352 129 I CB -1.176 36.921 38.000 0.162 0.000 1.431 129 I HN 0.095 nan 8.210 nan 0.000 0.543 130 T N 3.675 118.326 114.554 0.162 0.000 2.888 130 T HA 0.768 5.118 4.350 -0.000 0.000 0.284 130 T C -0.239 174.581 174.700 0.199 0.000 1.017 130 T CA -0.739 61.447 62.100 0.144 0.000 1.022 130 T CB 2.524 71.456 68.868 0.105 0.000 1.013 130 T HN 0.127 nan 8.240 nan 0.000 0.465 131 V N 1.106 121.124 119.914 0.175 0.000 2.769 131 V HA 0.832 4.952 4.120 -0.000 0.000 0.312 131 V C 0.034 176.235 176.094 0.178 0.000 1.061 131 V CA -1.086 61.333 62.300 0.199 0.000 0.931 131 V CB 1.693 33.588 31.823 0.120 0.000 1.010 131 V HN 1.330 nan 8.190 nan 0.000 0.433 132 A N 4.959 127.879 122.820 0.166 0.000 2.331 132 A HA 0.899 5.219 4.320 -0.000 0.000 0.320 132 A C -0.913 176.696 177.584 0.042 0.000 1.138 132 A CA -0.509 51.559 52.037 0.052 0.000 0.790 132 A CB 0.865 19.924 19.000 0.099 0.000 1.206 132 A HN 0.741 nan 8.150 nan 0.000 0.470 133 I N 1.951 122.434 120.570 -0.145 0.000 2.436 133 I HA 0.357 4.526 4.170 -0.000 0.000 0.289 133 I C -1.450 174.466 176.117 -0.335 0.000 1.010 133 I CA -0.285 60.948 61.300 -0.111 0.000 1.098 133 I CB 1.721 39.647 38.000 -0.123 0.000 1.266 133 I HN 0.577 nan 8.210 nan 0.000 0.434 134 F N 6.339 126.273 119.950 -0.026 0.000 2.325 134 F HA 0.415 4.942 4.527 -0.000 0.000 0.369 134 F C 0.190 175.979 175.800 -0.019 0.000 1.095 134 F CA -0.672 57.329 58.000 0.002 0.000 1.082 134 F CB 0.999 39.982 39.000 -0.028 0.000 1.289 134 F HN 0.190 nan 8.300 nan 0.000 0.462 135 M N 5.713 125.265 119.600 -0.080 0.000 2.105 135 M HA 0.389 4.869 4.480 -0.000 0.000 0.350 135 M C -0.471 175.845 176.300 0.026 0.000 1.308 135 M CA 0.055 55.214 55.300 -0.234 0.000 1.108 135 M CB 0.559 32.616 32.600 -0.904 0.000 1.622 135 M HN 0.472 nan 8.290 nan 0.000 0.468 136 L N 1.328 122.636 121.223 0.140 0.000 2.304 136 L HA 0.594 4.934 4.340 -0.000 0.000 0.268 136 L C 0.150 177.138 176.870 0.195 0.000 1.010 136 L CA -0.952 54.026 54.840 0.230 0.000 0.813 136 L CB 1.594 43.776 42.059 0.205 0.000 1.315 136 L HN 0.470 nan 8.230 nan 0.000 0.445 137 D N 0.061 120.584 120.400 0.205 0.000 2.427 137 D HA 0.143 4.783 4.640 -0.000 0.000 0.226 137 D C 0.873 177.208 176.300 0.060 0.000 1.076 137 D CA -0.187 53.929 54.000 0.194 0.000 0.849 137 D CB 1.755 42.743 40.800 0.314 0.000 1.052 137 D HN 0.705 nan 8.370 nan 0.000 0.515 138 T N -0.043 114.500 114.554 -0.019 0.000 2.904 138 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 138 T C 2.007 176.638 174.700 -0.115 0.000 1.059 138 T CA 0.618 62.670 62.100 -0.079 0.000 1.137 138 T CB -0.168 68.593 68.868 -0.179 0.000 0.879 138 T HN 0.176 nan 8.240 nan 0.000 0.467 139 V N 1.607 121.358 119.914 -0.272 0.000 2.407 139 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 139 V C 2.710 178.701 176.094 -0.171 0.000 1.055 139 V CA 1.893 64.064 62.300 -0.216 0.000 1.049 139 V CB -0.708 30.803 31.823 -0.520 0.000 0.662 139 V HN 0.481 nan 8.190 nan 0.000 0.455 140 M N -1.202 118.295 119.600 -0.171 0.000 2.419 140 M HA -0.027 4.453 4.480 -0.000 0.000 0.264 140 M C 1.898 178.178 176.300 -0.034 0.000 1.082 140 M CA 1.225 56.480 55.300 -0.075 0.000 1.119 140 M CB -0.062 32.548 32.600 0.017 0.000 1.398 140 M HN 0.313 nan 8.290 nan 0.000 0.453 141 L N -1.507 119.700 121.223 -0.026 0.000 2.416 141 L HA 0.108 4.448 4.340 -0.000 0.000 0.216 141 L C 0.954 177.823 176.870 -0.002 0.000 1.098 141 L CA 0.835 55.662 54.840 -0.022 0.000 0.840 141 L CB 0.269 42.314 42.059 -0.022 0.000 0.981 141 L HN 0.246 nan 8.230 nan 0.000 0.462 142 c N -2.579 116.039 118.600 0.031 0.000 4.131 142 c HA 0.821 5.391 4.570 -0.000 0.000 0.187 142 c C 1.558 175.662 174.090 0.024 0.000 3.211 142 c CA 0.020 56.371 56.329 0.036 0.000 1.865 142 c CB 1.036 43.602 42.510 0.094 0.000 3.975 142 c HN 0.457 nan 8.230 nan 0.000 0.468 143 G N -0.041 108.772 108.800 0.023 0.000 3.990 143 G HA2 0.013 3.973 3.960 -0.000 0.000 0.213 143 G HA3 0.013 3.973 3.960 -0.000 0.000 0.213 143 G C -0.277 174.577 174.900 -0.077 0.000 0.849 143 G CA -0.253 44.843 45.100 -0.007 0.000 0.857 143 G HN 0.511 nan 8.290 nan 0.000 0.484 144 N N 1.162 119.776 118.700 -0.144 0.000 2.344 144 N HA 0.424 5.164 4.740 -0.000 0.000 0.236 144 N C -0.130 175.190 175.510 -0.318 0.000 1.279 144 N CA 1.155 54.088 53.050 -0.196 0.000 0.882 144 N CB 1.457 39.826 38.487 -0.197 0.000 1.110 144 N HN 0.322 nan 8.380 nan 0.000 0.436 162 A N 1.788 124.618 122.820 0.017 0.000 3.330 162 A HA 0.436 4.756 4.320 -0.000 0.000 0.256 162 A C 0.602 178.181 177.584 -0.009 0.000 1.185 162 A CA -0.082 51.964 52.037 0.014 0.000 0.940 162 A CB 0.505 19.494 19.000 -0.018 0.000 1.397 162 A HN 0.488 nan 8.150 nan 0.000 0.678 163 R N -0.219 120.288 120.500 0.012 0.000 2.276 163 R HA 0.015 4.355 4.340 -0.000 0.000 0.196 163 R C 0.754 177.071 176.300 0.028 0.000 0.961 163 R CA 1.693 57.800 56.100 0.011 0.000 1.024 163 R CB 0.184 30.492 30.300 0.015 0.000 0.940 163 R HN 0.460 nan 8.270 nan 0.000 0.480 164 T N -0.067 114.516 114.554 0.048 0.000 3.051 164 T HA -0.037 4.313 4.350 -0.000 0.000 0.255 164 T C 1.437 176.208 174.700 0.119 0.000 1.085 164 T CA 0.277 62.432 62.100 0.093 0.000 1.109 164 T CB 0.278 69.213 68.868 0.112 0.000 0.921 164 T HN 0.292 nan 8.240 nan 0.000 0.488 165 Q N 0.633 120.427 119.800 -0.009 0.000 2.046 165 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 165 Q C 2.230 178.225 176.000 -0.008 0.000 0.975 165 Q CA 1.129 56.779 55.803 -0.255 0.000 0.836 165 Q CB -0.216 28.084 28.738 -0.730 0.000 0.896 165 Q HN 0.353 nan 8.270 nan 0.000 0.428 166 L N 0.392 121.596 121.223 -0.032 0.000 2.131 166 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 166 L C 2.279 179.154 176.870 0.007 0.000 1.092 166 L CA 1.934 56.763 54.840 -0.018 0.000 0.759 166 L CB -0.590 41.452 42.059 -0.028 0.000 0.903 166 L HN 0.144 nan 8.230 nan 0.000 0.435 167 S N -1.952 113.778 115.700 0.050 0.000 2.436 167 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 167 S C 1.654 176.313 174.600 0.097 0.000 1.014 167 S CA 0.735 58.968 58.200 0.056 0.000 0.950 167 S CB -0.479 62.762 63.200 0.069 0.000 0.784 167 S HN 0.677 nan 8.310 nan 0.000 0.504 168 W N 1.617 122.899 121.300 -0.031 0.000 2.407 168 W HA 0.047 4.707 4.660 -0.000 0.000 0.305 168 W C 1.645 178.151 176.519 -0.023 0.000 1.196 168 W CA 0.854 58.210 57.345 0.019 0.000 1.311 168 W CB -0.776 28.753 29.460 0.114 0.000 1.135 168 W HN 0.309 nan 8.180 nan 0.000 0.514 169 L N 1.975 123.054 121.223 -0.239 0.000 2.127 169 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 169 L C 2.441 178.979 176.870 -0.553 0.000 1.089 169 L CA 2.465 56.947 54.840 -0.596 0.000 0.757 169 L CB -1.273 40.603 42.059 -0.305 0.000 0.899 169 L HN 0.025 nan 8.230 nan 0.000 0.434 170 K N 0.316 120.514 120.400 -0.336 0.000 1.978 170 K HA -0.254 4.066 4.320 -0.000 0.000 0.214 170 K C 2.288 178.622 176.600 -0.443 0.000 1.049 170 K CA 2.221 58.307 56.287 -0.335 0.000 0.939 170 K CB -0.470 31.944 32.500 -0.144 0.000 0.721 170 K HN 0.306 nan 8.250 nan 0.000 0.441 171 K N -0.123 120.101 120.400 -0.293 0.000 2.044 171 K HA -0.250 4.070 4.320 -0.000 0.000 0.210 171 K C 2.131 178.533 176.600 -0.330 0.000 1.049 171 K CA 1.719 57.860 56.287 -0.243 0.000 0.927 171 K CB -0.143 32.288 32.500 -0.114 0.000 0.713 171 K HN 0.187 nan 8.250 nan 0.000 0.443 172 Q N 0.761 120.293 119.800 -0.446 0.000 1.998 172 Q HA -0.206 4.134 4.340 -0.000 0.000 0.209 172 Q C 2.361 178.094 176.000 -0.445 0.000 1.002 172 Q CA 1.921 57.468 55.803 -0.426 0.000 0.858 172 Q CB -0.554 27.772 28.738 -0.685 0.000 0.932 172 Q HN 0.430 nan 8.270 nan 0.000 0.416 173 L N -0.055 120.721 121.223 -0.744 0.000 2.131 173 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 173 L C 2.321 178.788 176.870 -0.671 0.000 1.092 173 L CA 1.033 55.433 54.840 -0.734 0.000 0.759 173 L CB -0.519 41.051 42.059 -0.816 0.000 0.903 173 L HN 0.142 nan 8.230 nan 0.000 0.435 174 A N -0.626 121.697 122.820 -0.828 0.000 2.119 174 A HA 0.184 4.504 4.320 -0.000 0.000 0.216 174 A C 2.245 179.713 177.584 -0.194 0.000 1.152 174 A CA 1.221 52.918 52.037 -0.566 0.000 0.708 174 A CB -0.256 18.454 19.000 -0.483 0.000 0.805 174 A HN 0.368 nan 8.150 nan 0.000 0.460 175 A N -0.927 121.781 122.820 -0.187 0.000 2.229 175 A HA 0.669 4.989 4.320 -0.000 0.000 0.211 175 A C 1.283 178.849 177.584 -0.031 0.000 1.193 175 A CA 0.645 52.635 52.037 -0.077 0.000 0.879 175 A CB -0.468 18.494 19.000 -0.065 0.000 0.911 175 A HN 0.858 nan 8.150 nan 0.000 0.492 176 A N 0.503 123.304 122.820 -0.032 0.000 2.511 176 A HA 0.471 4.791 4.320 -0.000 0.000 0.242 176 A C 0.633 178.242 177.584 0.042 0.000 1.069 176 A CA 0.099 52.165 52.037 0.048 0.000 0.763 176 A CB 0.260 19.334 19.000 0.125 0.000 1.001 176 A HN 0.150 nan 8.150 nan 0.000 0.498 177 K N 1.124 121.556 120.400 0.054 0.000 2.483 177 K HA 0.116 4.436 4.320 -0.000 0.000 0.206 177 K C -0.079 176.558 176.600 0.061 0.000 1.086 177 K CA -0.059 56.257 56.287 0.047 0.000 1.052 177 K CB 0.339 32.860 32.500 0.036 0.000 0.904 177 K HN 0.803 nan 8.250 nan 0.000 0.557 178 E N 1.412 121.663 120.200 0.084 0.000 2.455 178 E HA -0.064 4.286 4.350 -0.000 0.000 0.259 178 E C 0.524 177.189 176.600 0.109 0.000 1.245 178 E CA 0.287 56.752 56.400 0.108 0.000 1.013 178 E CB 0.678 30.462 29.700 0.140 0.000 0.978 178 E HN 0.015 nan 8.360 nan 0.000 0.479 179 D N -0.693 119.799 120.400 0.153 0.000 2.249 179 D HA -0.032 4.607 4.640 -0.000 0.000 0.205 179 D C 0.015 176.323 176.300 0.013 0.000 0.962 179 D CA 1.184 55.245 54.000 0.101 0.000 0.860 179 D CB 0.164 41.079 40.800 0.191 0.000 0.955 179 D HN 0.285 nan 8.370 nan 0.000 0.505 180 Y N -0.565 119.780 120.300 0.076 0.000 2.536 180 Y HA 0.450 5.000 4.550 -0.000 0.000 0.347 180 Y C -0.228 175.739 175.900 0.111 0.000 1.000 180 Y CA -1.024 57.126 58.100 0.084 0.000 1.051 180 Y CB 2.353 40.863 38.460 0.084 0.000 1.259 180 Y HN -0.431 nan 8.280 nan 0.000 0.468 181 V N 4.206 124.285 119.914 0.274 0.000 2.532 181 V HA 0.406 4.526 4.120 -0.000 0.000 0.294 181 V C -0.825 175.411 176.094 0.236 0.000 1.036 181 V CA -0.817 61.638 62.300 0.258 0.000 0.876 181 V CB 1.397 33.336 31.823 0.193 0.000 1.012 181 V HN 0.557 nan 8.190 nan 0.000 0.432 182 L N 4.716 126.092 121.223 0.255 0.000 2.330 182 L HA 0.856 5.196 4.340 -0.000 0.000 0.271 182 L C -0.782 176.237 176.870 0.248 0.000 1.013 182 L CA -1.069 53.896 54.840 0.209 0.000 0.816 182 L CB 2.214 44.374 42.059 0.168 0.000 1.287 182 L HN 0.330 nan 8.230 nan 0.000 0.435 183 V N 0.797 120.840 119.914 0.214 0.000 2.686 183 V HA 0.820 4.940 4.120 -0.000 0.000 0.306 183 V C -0.390 175.807 176.094 0.173 0.000 1.065 183 V CA -0.471 61.988 62.300 0.264 0.000 0.894 183 V CB 1.771 33.772 31.823 0.297 0.000 1.004 183 V HN 0.922 nan 8.190 nan 0.000 0.424 184 A N 2.695 125.570 122.820 0.092 0.000 2.469 184 A HA 1.080 5.400 4.320 -0.000 0.000 0.299 184 A C -0.105 177.496 177.584 0.028 0.000 1.098 184 A CA -0.064 51.897 52.037 -0.126 0.000 0.737 184 A CB 2.246 21.188 19.000 -0.098 0.000 1.312 184 A HN 1.545 nan 8.150 nan 0.000 0.414 185 G N -1.404 107.372 108.800 -0.040 0.000 2.548 185 G HA2 0.436 4.396 3.960 -0.000 0.000 0.301 185 G HA3 0.436 4.396 3.960 -0.000 0.000 0.301 185 G C -0.200 174.767 174.900 0.112 0.000 1.349 185 G CA 0.194 45.373 45.100 0.132 0.000 0.792 185 G HN 1.002 nan 8.290 nan 0.000 0.481 186 H N -1.210 117.848 119.070 -0.020 0.000 2.451 186 H HA 0.343 4.899 4.556 -0.000 0.000 0.294 186 H C 0.144 175.518 175.328 0.075 0.000 1.028 186 H CA 0.527 56.555 56.048 -0.033 0.000 1.349 186 H CB 0.028 29.680 29.762 -0.183 0.000 1.444 186 H HN 0.290 nan 8.280 nan 0.000 0.538 187 Y N 1.227 121.502 120.300 -0.042 0.000 2.336 187 Y HA 0.286 4.836 4.550 -0.000 0.000 0.331 187 Y C -1.952 174.005 175.900 0.094 0.000 1.211 187 Y CA -3.605 54.408 58.100 -0.146 0.000 1.346 187 Y CB 0.142 38.504 38.460 -0.165 0.000 1.271 187 Y HN 0.206 nan 8.280 nan 0.000 0.538 188 P HA 0.276 nan 4.420 nan 0.000 0.277 188 P C 0.344 177.741 177.300 0.162 0.000 1.240 188 P CA -0.090 63.192 63.100 0.303 0.000 0.798 188 P CB 1.285 33.134 31.700 0.248 0.000 0.979 189 I N -0.412 120.231 120.570 0.122 0.000 2.522 189 I HA 0.090 4.260 4.170 -0.000 0.000 0.240 189 I C 0.423 176.293 176.117 -0.413 0.000 1.078 189 I CA 0.713 61.828 61.300 -0.308 0.000 1.422 189 I CB -0.023 37.700 38.000 -0.462 0.000 1.188 189 I HN 0.286 nan 8.210 nan 0.000 0.442 190 W N 0.640 121.943 121.300 0.005 0.000 2.520 190 W HA 0.515 5.175 4.660 -0.000 0.000 0.323 190 W C 0.080 176.626 176.519 0.045 0.000 1.062 190 W CA -0.510 56.799 57.345 -0.060 0.000 1.215 190 W CB 1.670 30.975 29.460 -0.258 0.000 1.340 190 W HN -0.118 nan 8.180 nan 0.000 0.516 191 S N 3.424 119.316 115.700 0.320 0.000 2.602 191 S HA 0.127 4.597 4.470 -0.000 0.000 0.301 191 S C -0.164 174.527 174.600 0.151 0.000 1.091 191 S CA -0.735 57.592 58.200 0.212 0.000 0.895 191 S CB 0.230 63.549 63.200 0.198 0.000 1.090 191 S HN 0.661 nan 8.310 nan 0.000 0.449 192 I N 2.376 123.004 120.570 0.096 0.000 3.603 192 I HA 0.546 4.716 4.170 -0.000 0.000 0.297 192 I C 1.057 177.208 176.117 0.056 0.000 1.269 192 I CA 0.081 61.411 61.300 0.050 0.000 1.361 192 I CB -0.314 37.638 38.000 -0.080 0.000 1.063 192 I HN 0.603 nan 8.210 nan 0.000 0.448 193 A N 2.746 125.607 122.820 0.068 0.000 2.251 193 A HA 0.029 4.349 4.320 -0.000 0.000 0.277 193 A C 1.869 179.518 177.584 0.108 0.000 1.313 193 A CA 0.639 52.714 52.037 0.063 0.000 0.813 193 A CB -0.154 18.904 19.000 0.097 0.000 1.210 193 A HN 0.546 nan 8.150 nan 0.000 0.509 194 E N -0.182 120.017 120.200 -0.002 0.000 2.065 194 E HA -0.301 4.049 4.350 -0.000 0.000 0.201 194 E C 1.545 178.124 176.600 -0.035 0.000 1.016 194 E CA 2.226 58.579 56.400 -0.078 0.000 0.818 194 E CB -0.910 28.610 29.700 -0.301 0.000 0.749 194 E HN 0.773 nan 8.360 nan 0.000 0.453 195 H N 1.390 120.451 119.070 -0.015 0.000 2.333 195 H HA 0.155 4.711 4.556 -0.000 0.000 0.302 195 H C 1.541 176.668 175.328 -0.336 0.000 1.075 195 H CA 1.292 57.288 56.048 -0.087 0.000 1.348 195 H CB -0.388 29.328 29.762 -0.076 0.000 1.393 195 H HN 0.466 nan 8.280 nan 0.000 0.509 196 G N 0.761 109.464 108.800 -0.161 0.000 2.760 196 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.246 196 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.246 196 G C -2.580 172.212 174.900 -0.179 0.000 1.359 196 G CA -0.611 44.250 45.100 -0.398 0.000 0.861 196 G HN 0.134 nan 8.290 nan 0.000 0.541 197 P HA 0.295 nan 4.420 nan 0.000 0.266 197 P C 0.480 177.700 177.300 -0.134 0.000 1.193 197 P CA 0.996 64.071 63.100 -0.042 0.000 0.770 197 P CB 0.403 32.158 31.700 0.091 0.000 0.836 198 T N -0.043 114.415 114.554 -0.160 0.000 2.756 198 T HA 0.337 4.687 4.350 -0.000 0.000 0.290 198 T C 1.127 175.719 174.700 -0.180 0.000 0.985 198 T CA -0.864 61.129 62.100 -0.177 0.000 0.955 198 T CB 0.622 69.382 68.868 -0.181 0.000 0.930 198 T HN 0.198 nan 8.240 nan 0.000 0.451 199 R N 1.421 121.835 120.500 -0.143 0.000 2.133 199 R HA -0.190 4.149 4.340 -0.000 0.000 0.245 199 R C 2.579 178.805 176.300 -0.123 0.000 1.137 199 R CA 2.353 58.382 56.100 -0.118 0.000 0.947 199 R CB -1.396 28.857 30.300 -0.079 0.000 0.865 199 R HN 0.962 nan 8.270 nan 0.000 0.437 200 c N -0.024 118.512 118.600 -0.108 0.000 2.422 200 c HA 0.017 4.587 4.570 -0.000 0.000 0.279 200 c C 2.540 176.564 174.090 -0.111 0.000 1.305 200 c CA 0.240 56.515 56.329 -0.089 0.000 1.757 200 c CB -1.259 41.213 42.510 -0.064 0.000 1.962 200 c HN 0.353 nan 8.230 nan 0.000 0.499 201 L N 0.993 122.132 121.223 -0.140 0.000 2.072 201 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 201 L C 2.969 179.678 176.870 -0.268 0.000 1.079 201 L CA 1.044 55.773 54.840 -0.186 0.000 0.752 201 L CB -0.578 41.370 42.059 -0.183 0.000 0.906 201 L HN 0.198 nan 8.230 nan 0.000 0.436 202 V N 0.258 119.970 119.914 -0.337 0.000 2.469 202 V HA -0.319 3.801 4.120 -0.000 0.000 0.251 202 V C 2.480 178.437 176.094 -0.229 0.000 1.064 202 V CA 1.911 63.951 62.300 -0.433 0.000 1.066 202 V CB -0.511 31.015 31.823 -0.495 0.000 0.667 202 V HN 0.438 nan 8.190 nan 0.000 0.461 203 K N -0.203 120.102 120.400 -0.157 0.000 2.099 203 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 203 K C 1.804 178.357 176.600 -0.079 0.000 1.047 203 K CA 1.355 57.587 56.287 -0.092 0.000 0.963 203 K CB 0.062 32.521 32.500 -0.068 0.000 0.759 203 K HN 0.467 nan 8.250 nan 0.000 0.451 204 N N 0.073 118.719 118.700 -0.090 0.000 2.432 204 N HA -0.017 4.723 4.740 -0.000 0.000 0.174 204 N C 1.231 176.689 175.510 -0.087 0.000 1.037 204 N CA 0.317 53.324 53.050 -0.073 0.000 0.892 204 N CB 0.216 38.666 38.487 -0.062 0.000 1.049 204 N HN 0.034 nan 8.380 nan 0.000 0.442 205 L N 0.681 121.825 121.223 -0.131 0.000 2.185 205 L HA 0.230 4.570 4.340 -0.000 0.000 0.198 205 L C 2.129 178.910 176.870 -0.149 0.000 1.079 205 L CA 1.209 55.954 54.840 -0.158 0.000 0.780 205 L CB -0.674 41.239 42.059 -0.243 0.000 0.955 205 L HN -0.056 nan 8.230 nan 0.000 0.462 206 R N 0.297 120.687 120.500 -0.184 0.000 2.165 206 R HA -0.213 4.127 4.340 -0.000 0.000 0.254 206 R C -0.526 175.762 176.300 -0.019 0.000 1.153 206 R CA 2.587 58.624 56.100 -0.105 0.000 0.971 206 R CB -1.932 28.271 30.300 -0.160 0.000 0.878 206 R HN 0.305 nan 8.270 nan 0.000 0.449 207 P HA -0.056 nan 4.420 nan 0.000 0.220 207 P C 1.206 178.500 177.300 -0.009 0.000 1.148 207 P CA 0.976 64.071 63.100 -0.009 0.000 0.803 207 P CB -0.070 31.620 31.700 -0.016 0.000 0.782 208 L N -1.955 119.268 121.223 -0.000 0.000 2.395 208 L HA -0.029 4.311 4.340 -0.000 0.000 0.218 208 L C 2.101 179.017 176.870 0.077 0.000 1.130 208 L CA 0.602 55.481 54.840 0.066 0.000 0.826 208 L CB -0.538 41.541 42.059 0.032 0.000 0.941 208 L HN 0.006 nan 8.230 nan 0.000 0.451 209 L N -0.334 120.900 121.223 0.018 0.000 2.022 209 L HA -0.058 4.282 4.340 -0.000 0.000 0.204 209 L C 2.844 179.728 176.870 0.023 0.000 1.076 209 L CA 1.180 56.031 54.840 0.018 0.000 0.749 209 L CB -0.842 41.221 42.059 0.005 0.000 0.903 209 L HN 0.150 nan 8.230 nan 0.000 0.439 210 A N 0.092 122.925 122.820 0.022 0.000 2.015 210 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 210 A C 2.501 180.051 177.584 -0.056 0.000 1.163 210 A CA 1.489 53.529 52.037 0.005 0.000 0.646 210 A CB -0.626 18.392 19.000 0.031 0.000 0.806 210 A HN 0.416 nan 8.150 nan 0.000 0.448 211 A N -1.138 121.617 122.820 -0.107 0.000 1.865 211 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 211 A C 1.708 179.011 177.584 -0.468 0.000 1.191 211 A CA 1.594 53.443 52.037 -0.314 0.000 0.623 211 A CB -0.631 18.127 19.000 -0.403 0.000 0.826 211 A HN 0.610 nan 8.150 nan 0.000 0.444 212 Y N -0.884 119.380 120.300 -0.060 0.000 2.607 212 Y HA 0.425 4.975 4.550 -0.000 0.000 0.266 212 Y C 1.430 177.297 175.900 -0.056 0.000 1.178 212 Y CA -0.135 57.925 58.100 -0.067 0.000 1.226 212 Y CB -0.020 38.377 38.460 -0.106 0.000 1.144 212 Y HN 0.445 nan 8.280 nan 0.000 0.528 213 G N 1.000 109.824 108.800 0.041 0.000 2.298 213 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.287 213 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.287 213 G C -0.279 174.642 174.900 0.034 0.000 1.075 213 G CA 0.029 45.144 45.100 0.024 0.000 0.960 213 G HN 0.135 nan 8.290 nan 0.000 0.502 214 V N 0.467 120.403 119.914 0.038 0.000 2.572 214 V HA 0.237 4.357 4.120 -0.000 0.000 0.291 214 V C 1.969 178.089 176.094 0.043 0.000 1.039 214 V CA 0.809 63.136 62.300 0.045 0.000 1.055 214 V CB 1.090 32.932 31.823 0.032 0.000 0.969 214 V HN 0.543 nan 8.190 nan 0.000 0.482 215 T N 3.166 117.767 114.554 0.078 0.000 2.777 215 T HA 0.187 4.537 4.350 -0.000 0.000 0.266 215 T C 0.554 175.291 174.700 0.061 0.000 1.040 215 T CA 1.459 63.610 62.100 0.085 0.000 1.141 215 T CB 0.060 69.027 68.868 0.165 0.000 0.868 215 T HN 0.998 nan 8.240 nan 0.000 0.444 216 A N -0.330 122.527 122.820 0.062 0.000 2.566 216 A HA 0.615 4.935 4.320 -0.000 0.000 0.290 216 A C -2.269 175.348 177.584 0.055 0.000 1.071 216 A CA -0.844 51.195 52.037 0.003 0.000 0.658 216 A CB 0.712 19.764 19.000 0.087 0.000 1.285 216 A HN 0.208 nan 8.150 nan 0.000 0.427 217 Y N 1.038 121.235 120.300 -0.173 0.000 2.338 217 Y HA 0.658 5.208 4.550 -0.000 0.000 0.328 217 Y C -1.344 174.598 175.900 0.071 0.000 0.965 217 Y CA -0.945 57.124 58.100 -0.050 0.000 1.208 217 Y CB 0.936 39.352 38.460 -0.072 0.000 1.132 217 Y HN 0.587 nan 8.280 nan 0.000 0.469 218 L N 6.637 127.644 121.223 -0.360 0.000 2.357 218 L HA 0.688 5.028 4.340 -0.000 0.000 0.273 218 L C -0.056 176.520 176.870 -0.489 0.000 1.080 218 L CA -0.214 54.481 54.840 -0.241 0.000 0.803 218 L CB 1.130 43.162 42.059 -0.045 0.000 1.174 218 L HN 0.902 nan 8.230 nan 0.000 0.443 219 C N -0.572 118.627 119.300 -0.168 0.000 3.259 219 C HA 0.956 5.416 4.460 -0.000 0.000 0.344 219 C C 0.162 175.224 174.990 0.120 0.000 1.401 219 C CA 0.031 59.003 59.018 -0.077 0.000 1.219 219 C CB 1.116 28.826 27.740 -0.050 0.000 1.521 219 C HN 0.947 nan 8.230 nan 0.000 0.455 220 G N -1.214 107.676 108.800 0.149 0.000 3.377 220 G HA2 0.558 4.518 3.960 -0.000 0.000 0.182 220 G HA3 0.558 4.518 3.960 -0.000 0.000 0.182 220 G C 0.155 175.164 174.900 0.182 0.000 1.166 220 G CA 1.223 46.464 45.100 0.236 0.000 0.771 220 G HN 2.113 nan 8.290 nan 0.000 0.701 221 H N -0.963 118.099 119.070 -0.012 0.000 4.843 221 H HA -0.159 4.396 4.556 -0.000 0.000 0.075 221 H C -0.179 175.343 175.328 0.324 0.000 0.584 221 H CA 1.594 57.627 56.048 -0.025 0.000 1.038 221 H CB -1.297 28.297 29.762 -0.280 0.000 0.452 221 H HN 0.384 nan 8.280 nan 0.000 0.765 222 D N 1.202 121.741 120.400 0.232 0.000 2.316 222 D HA 0.137 4.777 4.640 -0.000 0.000 0.245 222 D C -0.159 176.323 176.300 0.303 0.000 1.171 222 D CA -0.101 53.996 54.000 0.160 0.000 0.856 222 D CB 0.028 40.934 40.800 0.175 0.000 1.090 222 D HN 0.594 nan 8.370 nan 0.000 0.476 223 H N 3.449 122.624 119.070 0.174 0.000 3.629 223 H HA 0.066 4.622 4.556 -0.000 0.000 0.245 223 H C -0.033 175.388 175.328 0.155 0.000 1.599 223 H CA -0.341 55.830 56.048 0.204 0.000 1.557 223 H CB -0.427 29.454 29.762 0.199 0.000 1.823 223 H HN 0.434 nan 8.280 nan 0.000 0.614 224 N N 0.700 119.571 118.700 0.284 0.000 3.413 224 N HA 0.232 4.972 4.740 -0.000 0.000 0.273 224 N C -1.902 173.737 175.510 0.215 0.000 1.458 224 N CA -0.930 52.223 53.050 0.171 0.000 0.860 224 N CB 1.207 39.758 38.487 0.107 0.000 1.556 224 N HN 0.064 nan 8.380 nan 0.000 0.475 225 L N 0.340 121.649 121.223 0.143 0.000 2.325 225 L HA 0.612 4.952 4.340 -0.000 0.000 0.281 225 L C -0.882 176.060 176.870 0.121 0.000 1.004 225 L CA -0.490 54.528 54.840 0.295 0.000 0.823 225 L CB 1.437 43.777 42.059 0.467 0.000 1.236 225 L HN 0.723 nan 8.230 nan 0.000 0.415 226 Q N 2.759 122.744 119.800 0.308 0.000 2.426 226 Q HA 0.459 4.799 4.340 -0.000 0.000 0.278 226 Q C -1.895 174.318 176.000 0.355 0.000 1.007 226 Q CA -1.038 54.852 55.803 0.146 0.000 0.850 226 Q CB 2.578 31.406 28.738 0.150 0.000 1.427 226 Q HN 0.468 nan 8.270 nan 0.000 0.391 227 Y N 2.629 122.970 120.300 0.068 0.000 2.361 227 Y HA 0.585 5.135 4.550 -0.000 0.000 0.337 227 Y C -1.818 174.190 175.900 0.179 0.000 0.965 227 Y CA -0.841 57.391 58.100 0.219 0.000 1.091 227 Y CB 1.332 39.872 38.460 0.132 0.000 1.182 227 Y HN 0.676 nan 8.280 nan 0.000 0.450 228 L N 4.986 125.956 121.223 -0.422 0.000 2.279 228 L HA 0.617 4.957 4.340 -0.000 0.000 0.262 228 L C -1.060 175.579 176.870 -0.385 0.000 1.019 228 L CA -1.024 53.688 54.840 -0.213 0.000 0.823 228 L CB 1.980 44.065 42.059 0.043 0.000 1.358 228 L HN 0.739 nan 8.230 nan 0.000 0.432 229 Q N 0.925 120.631 119.800 -0.156 0.000 2.364 229 Q HA 0.263 4.603 4.340 -0.000 0.000 0.251 229 Q C -1.652 174.127 176.000 -0.369 0.000 0.927 229 Q CA -0.588 55.166 55.803 -0.083 0.000 0.924 229 Q CB 2.321 31.089 28.738 0.051 0.000 1.419 229 Q HN 0.789 nan 8.270 nan 0.000 0.427 230 D N 1.912 122.042 120.400 -0.451 0.000 2.383 230 D HA -0.030 4.610 4.640 -0.000 0.000 0.248 230 D C 0.934 177.065 176.300 -0.282 0.000 1.170 230 D CA -0.338 53.102 54.000 -0.934 0.000 0.977 230 D CB 0.720 41.203 40.800 -0.528 0.000 1.120 230 D HN 0.570 nan 8.370 nan 0.000 0.481 231 E N 0.531 120.660 120.200 -0.117 0.000 2.533 231 E HA -0.208 4.142 4.350 -0.000 0.000 0.203 231 E C -0.166 176.452 176.600 0.031 0.000 1.101 231 E CA 0.458 56.873 56.400 0.026 0.000 0.894 231 E CB -0.468 29.291 29.700 0.097 0.000 0.843 231 E HN 0.413 nan 8.360 nan 0.000 0.552 232 N N 0.086 118.800 118.700 0.024 0.000 2.220 232 N HA 0.081 4.821 4.740 -0.000 0.000 0.195 232 N C 1.066 176.596 175.510 0.034 0.000 1.123 232 N CA 0.874 53.947 53.050 0.038 0.000 0.874 232 N CB 1.159 39.679 38.487 0.055 0.000 0.995 232 N HN 0.449 nan 8.380 nan 0.000 0.498 233 G N 0.281 109.102 108.800 0.034 0.000 2.195 233 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 233 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 233 G C 0.090 175.022 174.900 0.053 0.000 0.984 233 G CA 0.144 45.274 45.100 0.050 0.000 0.633 233 G HN 0.156 nan 8.290 nan 0.000 0.525 234 V N 1.739 121.675 119.914 0.037 0.000 2.585 234 V HA 0.516 4.636 4.120 -0.000 0.000 0.296 234 V C 1.392 177.432 176.094 -0.090 0.000 1.035 234 V CA 0.601 62.882 62.300 -0.031 0.000 1.084 234 V CB 1.088 32.891 31.823 -0.035 0.000 0.953 234 V HN 0.747 nan 8.190 nan 0.000 0.483 235 G N 3.534 112.258 108.800 -0.126 0.000 2.437 235 G HA2 0.550 4.510 3.960 -0.000 0.000 0.319 235 G HA3 0.550 4.510 3.960 -0.000 0.000 0.319 235 G C -1.476 173.165 174.900 -0.432 0.000 1.158 235 G CA -0.347 44.704 45.100 -0.082 0.000 0.899 235 G HN 0.577 nan 8.290 nan 0.000 0.502 236 Y N 0.419 120.637 120.300 -0.137 0.000 2.526 236 Y HA 0.335 4.885 4.550 -0.000 0.000 0.328 236 Y C -0.114 175.837 175.900 0.085 0.000 0.995 236 Y CA -0.689 57.446 58.100 0.058 0.000 1.304 236 Y CB 2.120 40.664 38.460 0.139 0.000 1.096 236 Y HN 0.257 nan 8.280 nan 0.000 0.499 237 V N 5.579 125.674 119.914 0.303 0.000 2.339 237 V HA 0.212 4.332 4.120 -0.000 0.000 0.261 237 V C -0.143 176.146 176.094 0.325 0.000 1.058 237 V CA -0.509 62.040 62.300 0.415 0.000 0.897 237 V CB 1.067 33.074 31.823 0.307 0.000 1.052 237 V HN 0.616 nan 8.190 nan 0.000 0.480 238 L N 5.848 127.317 121.223 0.410 0.000 2.283 238 L HA 0.484 4.824 4.340 -0.000 0.000 0.281 238 L C 0.594 177.697 176.870 0.388 0.000 1.033 238 L CA 0.048 55.094 54.840 0.344 0.000 0.848 238 L CB 1.314 43.572 42.059 0.332 0.000 1.226 238 L HN 0.708 nan 8.230 nan 0.000 0.429 239 S N 1.529 117.419 115.700 0.316 0.000 2.499 239 S HA 0.347 4.817 4.470 -0.000 0.000 0.238 239 S C 0.403 175.203 174.600 0.334 0.000 1.205 239 S CA -0.280 58.114 58.200 0.325 0.000 1.203 239 S CB 0.731 64.066 63.200 0.225 0.000 0.954 239 S HN 0.657 nan 8.310 nan 0.000 0.484 240 G N 0.803 109.813 108.800 0.350 0.000 3.515 240 G HA2 0.574 4.534 3.960 -0.000 0.000 0.288 240 G HA3 0.574 4.534 3.960 -0.000 0.000 0.288 240 G C 0.199 175.327 174.900 0.380 0.000 1.012 240 G CA -0.408 44.928 45.100 0.393 0.000 1.689 240 G HN 0.837 nan 8.290 nan 0.000 0.572 241 A N 0.780 123.806 122.820 0.343 0.000 3.176 241 A HA 0.618 4.938 4.320 -0.000 0.000 0.265 241 A C 1.303 179.040 177.584 0.255 0.000 0.936 241 A CA 0.253 52.454 52.037 0.274 0.000 1.033 241 A CB 0.404 19.556 19.000 0.254 0.000 1.158 241 A HN 0.620 nan 8.150 nan 0.000 0.485 242 G N -0.312 108.657 108.800 0.281 0.000 2.887 242 G HA2 0.103 4.062 3.960 -0.000 0.000 0.211 242 G HA3 0.103 4.062 3.960 -0.000 0.000 0.211 242 G C 0.867 175.855 174.900 0.147 0.000 1.152 242 G CA 0.946 46.219 45.100 0.290 0.000 0.769 242 G HN 0.557 nan 8.290 nan 0.000 0.541 243 N N -1.579 117.099 118.700 -0.037 0.000 2.372 243 N HA 0.228 4.968 4.740 -0.000 0.000 0.242 243 N C -0.439 174.689 175.510 -0.638 0.000 1.124 243 N CA -0.188 52.630 53.050 -0.387 0.000 0.824 243 N CB 0.557 38.691 38.487 -0.589 0.000 1.468 243 N HN 0.045 nan 8.380 nan 0.000 0.470 244 F N 0.359 120.124 119.950 -0.308 0.000 2.575 244 F HA 0.668 5.195 4.527 -0.000 0.000 0.330 244 F C -0.409 175.359 175.800 -0.054 0.000 1.056 244 F CA -0.854 57.000 58.000 -0.244 0.000 0.964 244 F CB 1.728 40.468 39.000 -0.432 0.000 1.258 244 F HN -0.187 nan 8.300 nan 0.000 0.484 245 M N 2.226 121.986 119.600 0.267 0.000 2.149 245 M HA 0.290 4.770 4.480 -0.000 0.000 0.273 245 M C -1.923 174.459 176.300 0.136 0.000 0.972 245 M CA -0.337 55.058 55.300 0.158 0.000 0.984 245 M CB 1.195 33.830 32.600 0.059 0.000 1.699 245 M HN 0.405 nan 8.290 nan 0.000 0.462 246 D N 5.866 126.345 120.400 0.131 0.000 2.381 246 D HA 0.478 5.118 4.640 -0.000 0.000 0.235 246 D C -2.090 174.235 176.300 0.042 0.000 1.068 246 D CA -1.478 52.562 54.000 0.065 0.000 0.832 246 D CB 2.601 43.420 40.800 0.030 0.000 1.101 246 D HN 0.361 nan 8.370 nan 0.000 0.515 247 P HA -0.016 nan 4.420 nan 0.000 0.245 247 P C 0.537 177.856 177.300 0.033 0.000 1.212 247 P CA -0.019 63.095 63.100 0.023 0.000 0.774 247 P CB 0.382 32.080 31.700 -0.003 0.000 0.999 248 S N 0.885 116.589 115.700 0.007 0.000 2.572 248 S HA 0.221 4.691 4.470 -0.000 0.000 0.279 248 S C 0.808 175.377 174.600 -0.052 0.000 1.341 248 S CA -0.267 57.915 58.200 -0.030 0.000 1.043 248 S CB 0.164 63.334 63.200 -0.051 0.000 0.887 248 S HN 0.046 nan 8.310 nan 0.000 0.516 249 V N 3.769 123.626 119.914 -0.094 0.000 3.157 249 V HA 0.440 4.560 4.120 -0.000 0.000 0.361 249 V C 1.271 177.296 176.094 -0.115 0.000 1.421 249 V CA -0.146 62.069 62.300 -0.142 0.000 1.213 249 V CB -0.470 31.218 31.823 -0.226 0.000 1.164 249 V HN 0.920 nan 8.190 nan 0.000 0.559 250 R N 0.386 120.812 120.500 -0.124 0.000 2.226 250 R HA -0.158 4.182 4.340 -0.000 0.000 0.246 250 R C 1.134 177.211 176.300 -0.372 0.000 1.161 250 R CA 1.913 57.868 56.100 -0.242 0.000 0.997 250 R CB -0.122 29.998 30.300 -0.299 0.000 0.870 250 R HN 0.779 nan 8.270 nan 0.000 0.465 251 H N -0.194 118.841 119.070 -0.058 0.000 2.487 251 H HA 0.124 4.680 4.556 -0.000 0.000 0.290 251 H C 0.997 176.293 175.328 -0.054 0.000 1.081 251 H CA -0.185 55.841 56.048 -0.037 0.000 1.116 251 H CB 0.679 30.441 29.762 0.000 0.000 1.560 251 H HN 0.392 nan 8.280 nan 0.000 0.548 252 Q N 0.595 120.378 119.800 -0.028 0.000 2.061 252 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 252 Q C 1.953 177.913 176.000 -0.067 0.000 0.984 252 Q CA 0.949 56.712 55.803 -0.067 0.000 0.846 252 Q CB 0.098 28.777 28.738 -0.098 0.000 0.902 252 Q HN 0.346 nan 8.270 nan 0.000 0.421 253 R N 0.978 121.440 120.500 -0.064 0.000 2.127 253 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 253 R C 1.750 178.020 176.300 -0.051 0.000 1.134 253 R CA 1.037 57.096 56.100 -0.067 0.000 0.975 253 R CB -0.252 30.009 30.300 -0.065 0.000 0.865 253 R HN 0.104 nan 8.270 nan 0.000 0.447 254 K N 0.183 120.592 120.400 0.015 0.000 2.486 254 K HA 0.064 4.384 4.320 -0.000 0.000 0.194 254 K C 0.180 176.770 176.600 -0.018 0.000 1.033 254 K CA 0.274 56.597 56.287 0.059 0.000 1.004 254 K CB 0.416 33.040 32.500 0.207 0.000 0.798 254 K HN -0.084 nan 8.250 nan 0.000 0.495 255 V N 3.559 123.395 119.914 -0.131 0.000 2.347 255 V HA 0.212 4.331 4.120 -0.000 0.000 0.280 255 V C -2.304 173.457 176.094 -0.554 0.000 1.021 255 V CA -2.377 59.695 62.300 -0.379 0.000 0.847 255 V CB 0.986 32.674 31.823 -0.224 0.000 0.990 255 V HN 0.074 nan 8.190 nan 0.000 0.444 256 P HA -0.011 nan 4.420 nan 0.000 0.256 256 P C -0.072 176.791 177.300 -0.728 0.000 1.189 256 P CA -0.053 62.543 63.100 -0.840 0.000 0.808 256 P CB 0.076 31.105 31.700 -1.118 0.000 0.793 257 N N 2.910 121.383 118.700 -0.378 0.000 2.036 257 N HA 0.069 4.809 4.740 -0.000 0.000 0.288 257 N C 1.729 177.161 175.510 -0.129 0.000 1.293 257 N CA 2.292 55.214 53.050 -0.212 0.000 0.808 257 N CB -0.338 38.066 38.487 -0.138 0.000 1.040 257 N HN 0.740 nan 8.380 nan 0.000 0.489 258 G N 0.598 109.379 108.800 -0.031 0.000 2.238 258 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 258 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 258 G C 0.650 175.663 174.900 0.189 0.000 0.996 258 G CA -0.008 45.138 45.100 0.077 0.000 0.632 258 G HN 0.490 nan 8.290 nan 0.000 0.503 259 Y N 0.085 120.291 120.300 -0.156 0.000 2.220 259 Y HA 0.381 4.931 4.550 -0.000 0.000 0.291 259 Y C 1.872 177.707 175.900 -0.108 0.000 1.129 259 Y CA 0.331 58.320 58.100 -0.184 0.000 1.161 259 Y CB -0.589 37.624 38.460 -0.412 0.000 0.997 259 Y HN 0.334 nan 8.280 nan 0.000 0.522 260 L N 1.627 122.888 121.223 0.065 0.000 2.462 260 L HA 0.084 4.424 4.340 -0.000 0.000 0.272 260 L C 0.852 177.759 176.870 0.063 0.000 1.166 260 L CA 0.350 55.209 54.840 0.031 0.000 0.880 260 L CB 0.484 42.534 42.059 -0.014 0.000 1.142 260 L HN 0.028 nan 8.230 nan 0.000 0.473 261 R N 4.516 125.067 120.500 0.085 0.000 2.412 261 R HA 0.302 4.642 4.340 -0.000 0.000 0.212 261 R C -0.804 175.517 176.300 0.035 0.000 0.878 261 R CA 0.128 56.322 56.100 0.156 0.000 1.022 261 R CB 0.307 30.832 30.300 0.374 0.000 1.265 261 R HN 0.550 nan 8.270 nan 0.000 0.620 262 F N 1.417 121.176 119.950 -0.319 0.000 2.635 262 F HA 0.443 4.970 4.527 -0.000 0.000 0.314 262 F C -1.551 174.089 175.800 -0.267 0.000 1.119 262 F CA -1.028 56.624 58.000 -0.581 0.000 1.000 262 F CB 1.435 39.365 39.000 -1.782 0.000 1.278 262 F HN -0.030 nan 8.300 nan 0.000 0.446 263 H N 5.616 123.903 119.070 -1.305 0.000 2.947 263 H HA 0.380 4.936 4.556 -0.000 0.000 0.354 263 H C -2.512 172.343 175.328 -0.788 0.000 1.085 263 H CA -0.414 55.086 56.048 -0.915 0.000 1.253 263 H CB 1.927 31.469 29.762 -0.368 0.000 1.757 263 H HN 0.755 nan 8.280 nan 0.000 0.523 264 Y N 3.194 122.616 120.300 -1.464 0.000 2.361 264 Y HA 0.462 5.012 4.550 -0.000 0.000 0.328 264 Y C -0.499 175.019 175.900 -0.636 0.000 1.044 264 Y CA -0.148 57.434 58.100 -0.865 0.000 1.085 264 Y CB 1.782 40.037 38.460 -0.343 0.000 1.194 264 Y HN 0.838 nan 8.280 nan 0.000 0.438 265 G N 3.017 111.282 108.800 -0.891 0.000 5.253 265 G HA2 0.191 4.151 3.960 -0.000 0.000 0.238 265 G HA3 0.191 4.151 3.960 -0.000 0.000 0.238 265 G C -0.645 174.011 174.900 -0.407 0.000 0.867 265 G CA -0.048 44.751 45.100 -0.502 0.000 0.717 265 G HN 0.773 nan 8.290 nan 0.000 0.405 266 S N -0.502 114.789 115.700 -0.681 0.000 2.566 266 S HA 0.145 4.615 4.470 -0.000 0.000 0.280 266 S C 1.165 175.658 174.600 -0.179 0.000 1.343 266 S CA 0.411 58.417 58.200 -0.324 0.000 1.036 266 S CB 2.197 65.254 63.200 -0.238 0.000 0.866 266 S HN 0.220 nan 8.310 nan 0.000 0.526 267 E N 1.193 121.352 120.200 -0.070 0.000 2.015 267 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 267 E C 1.162 177.759 176.600 -0.005 0.000 0.991 267 E CA 1.815 58.202 56.400 -0.022 0.000 0.802 267 E CB -0.313 29.387 29.700 -0.001 0.000 0.759 267 E HN 0.788 nan 8.360 nan 0.000 0.447 268 D N 0.140 120.545 120.400 0.009 0.000 2.403 268 D HA -0.076 4.564 4.640 -0.000 0.000 0.227 268 D C 0.261 176.588 176.300 0.046 0.000 0.995 268 D CA 0.437 54.455 54.000 0.031 0.000 0.928 268 D CB -0.083 40.743 40.800 0.043 0.000 0.887 268 D HN 0.014 nan 8.370 nan 0.000 0.529 269 S N 0.013 115.733 115.700 0.033 0.000 2.554 269 S HA 0.337 4.807 4.470 -0.000 0.000 0.278 269 S C 0.593 175.230 174.600 0.061 0.000 1.242 269 S CA -0.828 57.419 58.200 0.077 0.000 1.051 269 S CB 1.025 64.290 63.200 0.109 0.000 0.986 269 S HN -0.016 nan 8.310 nan 0.000 0.502 270 L N 3.150 124.424 121.223 0.085 0.000 2.776 270 L HA 0.393 4.733 4.340 -0.000 0.000 0.165 270 L C 1.962 178.891 176.870 0.097 0.000 1.145 270 L CA -0.109 54.771 54.840 0.067 0.000 1.230 270 L CB -0.650 41.444 42.059 0.059 0.000 2.044 270 L HN 0.852 nan 8.230 nan 0.000 0.484 271 G N -1.543 107.320 108.800 0.106 0.000 2.393 271 G HA2 0.411 4.371 3.960 -0.000 0.000 0.268 271 G HA3 0.411 4.371 3.960 -0.000 0.000 0.268 271 G C -0.266 174.782 174.900 0.247 0.000 1.472 271 G CA 0.345 45.543 45.100 0.163 0.000 1.059 271 G HN 0.897 nan 8.290 nan 0.000 0.555 272 G N -2.580 106.424 108.800 0.340 0.000 2.384 272 G HA2 0.596 4.556 3.960 -0.000 0.000 0.300 272 G HA3 0.596 4.556 3.960 -0.000 0.000 0.300 272 G C -0.991 174.205 174.900 0.493 0.000 1.582 272 G CA -0.064 45.266 45.100 0.384 0.000 0.875 272 G HN 1.504 nan 8.290 nan 0.000 0.628 273 F N -1.405 118.662 119.950 0.195 0.000 3.090 273 F HA 0.922 5.449 4.527 -0.000 0.000 0.324 273 F C -0.188 175.660 175.800 0.080 0.000 1.189 273 F CA -0.778 57.316 58.000 0.156 0.000 0.907 273 F CB 1.065 40.144 39.000 0.131 0.000 1.445 273 F HN 0.890 nan 8.300 nan 0.000 0.500 274 T N -1.479 113.059 114.554 -0.026 0.000 2.908 274 T HA 0.640 4.990 4.350 -0.000 0.000 0.290 274 T C -1.922 172.716 174.700 -0.104 0.000 1.034 274 T CA -0.542 61.388 62.100 -0.283 0.000 1.010 274 T CB 1.956 70.582 68.868 -0.403 0.000 1.068 274 T HN 0.891 nan 8.240 nan 0.000 0.481 275 Y N 1.530 121.620 120.300 -0.350 0.000 2.376 275 Y HA 0.646 5.196 4.550 -0.000 0.000 0.340 275 Y C -1.386 174.242 175.900 -0.453 0.000 0.965 275 Y CA -0.986 56.923 58.100 -0.317 0.000 1.078 275 Y CB 1.639 39.956 38.460 -0.239 0.000 1.193 275 Y HN 0.722 nan 8.280 nan 0.000 0.452 276 V N 5.669 124.876 119.914 -1.179 0.000 2.604 276 V HA 0.447 4.567 4.120 -0.000 0.000 0.305 276 V C -1.011 174.417 176.094 -1.110 0.000 1.043 276 V CA -0.937 60.709 62.300 -1.090 0.000 0.888 276 V CB 1.866 32.794 31.823 -1.492 0.000 0.995 276 V HN 0.774 nan 8.190 nan 0.000 0.429 277 E N 3.870 123.698 120.200 -0.620 0.000 2.343 277 E HA 0.496 4.846 4.350 -0.000 0.000 0.260 277 E C -1.551 174.873 176.600 -0.294 0.000 0.908 277 E CA -0.454 55.690 56.400 -0.427 0.000 0.814 277 E CB 1.424 30.990 29.700 -0.224 0.000 1.302 277 E HN 0.653 nan 8.360 nan 0.000 0.408 278 I N 3.572 123.959 120.570 -0.306 0.000 2.315 278 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 278 I C 0.755 176.715 176.117 -0.262 0.000 1.006 278 I CA -0.353 60.747 61.300 -0.334 0.000 1.265 278 I CB 1.549 39.246 38.000 -0.505 0.000 1.387 278 I HN 0.477 nan 8.210 nan 0.000 0.475 279 G N 2.366 111.065 108.800 -0.169 0.000 3.075 279 G HA2 0.231 4.191 3.960 -0.000 0.000 0.253 279 G HA3 0.231 4.191 3.960 -0.000 0.000 0.253 279 G C 0.609 175.520 174.900 0.020 0.000 1.353 279 G CA -0.173 44.885 45.100 -0.069 0.000 1.051 279 G HN 0.482 nan 8.290 nan 0.000 0.553 280 S N -0.989 114.745 115.700 0.057 0.000 2.400 280 S HA -0.087 4.383 4.470 -0.000 0.000 0.232 280 S C 2.019 176.712 174.600 0.156 0.000 1.025 280 S CA 1.840 60.105 58.200 0.109 0.000 0.993 280 S CB -0.205 63.034 63.200 0.066 0.000 0.808 280 S HN 0.385 nan 8.310 nan 0.000 0.478 281 K N 0.581 121.057 120.400 0.126 0.000 2.225 281 K HA 0.238 4.558 4.320 -0.000 0.000 0.204 281 K C 1.006 177.705 176.600 0.165 0.000 1.047 281 K CA 0.637 56.994 56.287 0.115 0.000 0.970 281 K CB -0.162 32.373 32.500 0.059 0.000 0.939 281 K HN 0.649 nan 8.250 nan 0.000 0.472 282 E N 0.264 120.557 120.200 0.155 0.000 2.445 282 E HA 0.268 4.618 4.350 -0.000 0.000 0.273 282 E C -1.050 175.637 176.600 0.145 0.000 0.961 282 E CA -0.797 55.707 56.400 0.174 0.000 0.807 282 E CB 1.650 31.395 29.700 0.076 0.000 1.362 282 E HN -0.034 nan 8.360 nan 0.000 0.453 283 M N 1.589 121.285 119.600 0.159 0.000 2.205 283 M HA 0.393 4.873 4.480 -0.000 0.000 0.344 283 M C -1.380 174.905 176.300 -0.025 0.000 1.085 283 M CA -0.303 55.019 55.300 0.036 0.000 1.001 283 M CB 1.370 34.048 32.600 0.130 0.000 1.626 283 M HN 0.482 nan 8.290 nan 0.000 0.442 284 S N 5.178 120.814 115.700 -0.107 0.000 2.509 284 S HA 0.721 5.191 4.470 -0.000 0.000 0.297 284 S C -0.784 173.709 174.600 -0.179 0.000 1.118 284 S CA -0.633 57.491 58.200 -0.127 0.000 1.074 284 S CB 1.356 64.484 63.200 -0.119 0.000 1.038 284 S HN 0.667 nan 8.310 nan 0.000 0.498 285 I N 2.070 122.542 120.570 -0.162 0.000 2.521 285 I HA 0.259 4.429 4.170 -0.000 0.000 0.277 285 I C 0.203 176.244 176.117 -0.127 0.000 1.054 285 I CA -0.216 60.977 61.300 -0.178 0.000 1.117 285 I CB 1.527 39.469 38.000 -0.097 0.000 1.217 285 I HN 0.598 nan 8.210 nan 0.000 0.469 286 T N 4.399 118.870 114.554 -0.139 0.000 2.795 286 T HA 0.566 4.916 4.350 -0.000 0.000 0.282 286 T C -0.809 173.828 174.700 -0.106 0.000 0.980 286 T CA -0.237 61.813 62.100 -0.084 0.000 1.012 286 T CB 0.450 69.251 68.868 -0.111 0.000 0.936 286 T HN 0.193 nan 8.240 nan 0.000 0.457 287 Y N 3.527 123.739 120.300 -0.147 0.000 2.367 287 Y HA 0.497 5.047 4.550 -0.000 0.000 0.342 287 Y C 0.163 175.931 175.900 -0.221 0.000 0.979 287 Y CA -0.879 57.145 58.100 -0.127 0.000 1.161 287 Y CB 1.167 39.624 38.460 -0.006 0.000 1.155 287 Y HN 0.450 nan 8.280 nan 0.000 0.503 288 V N 3.903 123.630 119.914 -0.312 0.000 2.370 288 V HA 0.243 4.363 4.120 -0.000 0.000 0.283 288 V C 0.109 176.045 176.094 -0.264 0.000 1.023 288 V CA -1.294 60.773 62.300 -0.389 0.000 0.857 288 V CB 1.376 32.790 31.823 -0.682 0.000 0.985 288 V HN 0.736 nan 8.190 nan 0.000 0.443 289 E N 3.389 123.572 120.200 -0.029 0.000 2.392 289 E HA 0.397 4.747 4.350 -0.000 0.000 0.256 289 E C 1.350 178.055 176.600 0.175 0.000 1.145 289 E CA 0.269 56.744 56.400 0.124 0.000 0.929 289 E CB 1.486 31.261 29.700 0.126 0.000 0.998 289 E HN 0.739 nan 8.360 nan 0.000 0.442 290 A N 2.424 125.388 122.820 0.239 0.000 1.892 290 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 290 A C 2.204 179.880 177.584 0.153 0.000 1.188 290 A CA 2.218 54.394 52.037 0.231 0.000 0.631 290 A CB -0.894 18.204 19.000 0.164 0.000 0.822 290 A HN 0.663 nan 8.150 nan 0.000 0.447 291 S N -1.922 113.846 115.700 0.113 0.000 2.407 291 S HA 0.048 4.518 4.470 -0.000 0.000 0.235 291 S C 1.689 176.320 174.600 0.052 0.000 1.036 291 S CA 1.998 60.240 58.200 0.070 0.000 1.013 291 S CB -0.300 62.936 63.200 0.060 0.000 0.820 291 S HN 1.715 nan 8.310 nan 0.000 0.476 292 G N 0.029 108.862 108.800 0.055 0.000 2.480 292 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.193 292 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.193 292 G C -0.118 174.771 174.900 -0.018 0.000 1.004 292 G CA -0.461 44.654 45.100 0.025 0.000 0.696 292 G HN 0.409 nan 8.290 nan 0.000 0.478 293 K N 1.717 122.106 120.400 -0.020 0.000 2.412 293 K HA 0.462 4.781 4.320 -0.000 0.000 0.281 293 K C -0.058 176.498 176.600 -0.074 0.000 1.027 293 K CA 0.171 56.429 56.287 -0.047 0.000 0.989 293 K CB 0.904 33.379 32.500 -0.042 0.000 0.935 293 K HN 0.147 nan 8.250 nan 0.000 0.475 294 S N 3.136 118.779 115.700 -0.096 0.000 2.448 294 S HA 0.070 4.540 4.470 -0.000 0.000 0.279 294 S C 0.786 175.315 174.600 -0.118 0.000 1.195 294 S CA -0.653 57.475 58.200 -0.120 0.000 1.051 294 S CB 0.238 63.355 63.200 -0.138 0.000 0.948 294 S HN 0.438 nan 8.310 nan 0.000 0.493 295 L N 1.386 122.539 121.223 -0.116 0.000 2.693 295 L HA 0.663 5.003 4.340 -0.000 0.000 0.235 295 L C -0.147 176.583 176.870 -0.232 0.000 1.127 295 L CA 0.043 54.802 54.840 -0.136 0.000 0.914 295 L CB -0.569 41.416 42.059 -0.123 0.000 1.193 295 L HN 0.490 nan 8.230 nan 0.000 0.502 296 F N 0.232 119.877 119.950 -0.510 0.000 2.660 296 F HA 0.563 5.090 4.527 -0.000 0.000 0.320 296 F C -1.073 174.501 175.800 -0.375 0.000 1.099 296 F CA -0.995 56.581 58.000 -0.707 0.000 1.061 296 F CB 0.985 38.866 39.000 -1.865 0.000 1.300 296 F HN -0.011 nan 8.300 nan 0.000 0.479 297 K N 3.476 123.211 120.400 -1.109 0.000 2.508 297 K HA 0.812 5.132 4.320 -0.000 0.000 0.260 297 K C -1.767 174.258 176.600 -0.959 0.000 0.949 297 K CA -0.462 55.393 56.287 -0.719 0.000 0.834 297 K CB 2.558 34.817 32.500 -0.403 0.000 1.365 297 K HN 0.810 nan 8.250 nan 0.000 0.437 298 T N -0.074 114.150 114.554 -0.551 0.000 2.786 298 T HA 0.435 4.785 4.350 -0.000 0.000 0.316 298 T C -1.851 172.701 174.700 -0.247 0.000 1.503 298 T CA -0.499 61.352 62.100 -0.416 0.000 1.019 298 T CB 1.188 69.789 68.868 -0.444 0.000 1.415 298 T HN 0.739 nan 8.240 nan 0.000 0.496 299 S N 2.046 117.657 115.700 -0.148 0.000 2.599 299 S HA 0.878 5.348 4.470 -0.000 0.000 0.294 299 S C -1.354 173.244 174.600 -0.003 0.000 1.094 299 S CA -0.874 57.282 58.200 -0.073 0.000 0.931 299 S CB 1.367 64.533 63.200 -0.057 0.000 1.093 299 S HN 0.735 nan 8.310 nan 0.000 0.488 300 L N 2.189 123.439 121.223 0.045 0.000 2.365 300 L HA 0.600 4.940 4.340 -0.000 0.000 0.273 300 L C -2.280 174.645 176.870 0.091 0.000 1.000 300 L CA -2.461 52.434 54.840 0.091 0.000 0.819 300 L CB 2.443 44.583 42.059 0.136 0.000 1.284 300 L HN 0.559 nan 8.230 nan 0.000 0.418 301 P HA 0.068 nan 4.420 nan 0.000 0.271 301 P C -0.621 176.667 177.300 -0.020 0.000 1.233 301 P CA -0.446 62.671 63.100 0.029 0.000 0.789 301 P CB 0.993 32.700 31.700 0.012 0.000 0.951 302 R N 0.000 120.445 120.500 -0.091 0.000 2.786 302 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 302 R CA 0.000 55.891 56.100 -0.349 0.000 0.921 302 R CB 0.000 30.144 30.300 -0.260 0.000 0.687 302 R HN 0.000 nan 8.270 nan 0.000 0.535