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 3gnp_1_A DATA FIRST_RESID 11 DATA SEQUENCE GLTRGSFPEG FVFGTASAAY QYEGAVKEDG RGQTIWDTFA HTFGKITDFS DATA SEQUENCE NADVAVDQYH RFEEDIQLMA DMGMDAYRFS IAWSRIYPNG VGQVNQAGID DATA SEQUENCE HYNKLIDALL AKGIQPYVTL YHWDLPQALE DKYKGWLDRQ IVDDFAAYAE DATA SEQUENCE TCFREFGDRV KHWITLNEPH TVAIQGYDAG LQAPGRcSVL LHLYcKAGNS DATA SEQUENCE GTEPYVVAHH FILAHAAAAS IYRTKYKATQ NGQLGIAFDV MWFEPMSNTT DATA SEQUENCE IDIEAAKRAQ EFQLGWFADP FFFGDYPATM RARVGERLPR FTADEAAVVK DATA SEQUENCE GALDFVGINH YTTYYTRHNN TNIIGTLLNN TLADTGTVSL PFKNGKPIGD DATA SEQUENCE RANSIWLYIV PRGMRSLMNY VKERYNSPPV YITENGMDDS NNPFISIKDA DATA SEQUENCE LKDSKRIKYH NDYLTNLAAS IKEDGCDVRG YFAWSLLDNW EWAAGYSSRF DATA SEQUENCE GLYFVDYKDN LKRYPKNSVQ WFKALLKT 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.882 3.960 -0.130 0.000 0.244 11 G C 0.000 174.877 174.900 -0.038 0.000 0.946 11 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 12 L N 2.063 123.266 121.223 -0.033 0.000 2.395 12 L HA 0.608 4.870 4.340 -0.130 0.000 0.269 12 L C 0.947 177.751 176.870 -0.109 0.000 1.133 12 L CA 0.007 54.822 54.840 -0.042 0.000 0.812 12 L CB 1.554 43.639 42.059 0.043 0.000 1.125 12 L HN 0.839 nan 8.230 nan 0.000 0.452 13 T N -1.947 112.574 114.554 -0.055 0.000 2.716 13 T HA 0.388 4.659 4.350 -0.130 0.000 0.286 13 T C 0.856 175.583 174.700 0.045 0.000 1.052 13 T CA -0.933 61.120 62.100 -0.079 0.000 1.024 13 T CB 1.377 70.204 68.868 -0.068 0.000 1.349 13 T HN 0.442 nan 8.240 nan 0.000 0.525 14 R N -0.159 120.352 120.500 0.018 0.000 2.127 14 R HA -0.013 4.248 4.340 -0.130 0.000 0.238 14 R C 2.459 178.886 176.300 0.212 0.000 1.134 14 R CA 1.550 57.749 56.100 0.165 0.000 0.975 14 R CB -0.928 29.435 30.300 0.105 0.000 0.865 14 R HN 0.861 nan 8.270 nan 0.000 0.447 15 G N -0.382 108.472 108.800 0.090 0.000 2.535 15 G HA2 -0.182 3.700 3.960 -0.130 0.000 0.218 15 G HA3 -0.182 3.700 3.960 -0.130 0.000 0.218 15 G C 1.180 176.072 174.900 -0.013 0.000 1.122 15 G CA 0.433 45.559 45.100 0.042 0.000 0.769 15 G HN 0.218 nan 8.290 nan 0.000 0.549 16 S N -0.210 115.467 115.700 -0.039 0.000 2.522 16 S HA 0.242 4.634 4.470 -0.130 0.000 0.227 16 S C 0.179 174.417 174.600 -0.604 0.000 0.986 16 S CA 0.214 58.235 58.200 -0.300 0.000 0.929 16 S CB -0.059 62.905 63.200 -0.393 0.000 0.769 16 S HN 0.270 nan 8.310 nan 0.000 0.529 17 F N 1.054 120.916 119.950 -0.146 0.000 2.556 17 F HA 0.499 4.947 4.527 -0.131 0.000 0.327 17 F C -2.429 173.307 175.800 -0.107 0.000 1.059 17 F CA -2.807 55.025 58.000 -0.280 0.000 0.953 17 F CB 0.288 38.936 39.000 -0.586 0.000 1.227 17 F HN -0.220 nan 8.300 nan 0.000 0.478 18 P HA 0.025 nan 4.420 nan 0.000 0.268 18 P C -0.705 176.709 177.300 0.192 0.000 1.208 18 P CA -0.189 62.996 63.100 0.141 0.000 0.777 18 P CB 0.411 32.213 31.700 0.170 0.000 0.875 19 E N 0.753 121.032 120.200 0.132 0.000 2.452 19 E HA 0.142 4.414 4.350 -0.130 0.000 0.261 19 E C 1.204 177.890 176.600 0.143 0.000 0.987 19 E CA 1.134 57.610 56.400 0.127 0.000 0.926 19 E CB -0.208 29.543 29.700 0.086 0.000 0.934 19 E HN 0.811 nan 8.360 nan 0.000 0.452 20 G N 3.381 112.268 108.800 0.145 0.000 2.184 20 G HA2 -0.334 3.548 3.960 -0.130 0.000 0.264 20 G HA3 -0.334 3.548 3.960 -0.130 0.000 0.264 20 G C 0.084 175.056 174.900 0.120 0.000 0.975 20 G CA 0.103 45.275 45.100 0.121 0.000 0.642 20 G HN 0.551 nan 8.290 nan 0.000 0.536 21 F N 1.332 121.288 119.950 0.010 0.000 2.607 21 F HA 0.428 4.876 4.527 -0.131 0.000 0.374 21 F C 0.760 176.439 175.800 -0.201 0.000 1.104 21 F CA 0.085 58.021 58.000 -0.108 0.000 1.296 21 F CB 0.824 39.764 39.000 -0.101 0.000 1.085 21 F HN 0.036 nan 8.300 nan 0.000 0.584 22 V N 7.694 127.152 119.914 -0.759 0.000 2.383 22 V HA 0.214 4.255 4.120 -0.130 0.000 0.275 22 V C -0.363 175.220 176.094 -0.853 0.000 1.036 22 V CA -0.466 61.497 62.300 -0.561 0.000 0.889 22 V CB 0.629 32.195 31.823 -0.428 0.000 0.985 22 V HN 0.510 nan 8.190 nan 0.000 0.459 23 F N 2.945 122.690 119.950 -0.342 0.000 2.443 23 F HA 0.837 5.285 4.527 -0.130 0.000 0.335 23 F C 0.795 176.290 175.800 -0.509 0.000 1.104 23 F CA -0.132 57.667 58.000 -0.335 0.000 1.013 23 F CB 2.117 41.060 39.000 -0.096 0.000 1.136 23 F HN 0.623 nan 8.300 nan 0.000 0.470 24 G N 0.351 108.843 108.800 -0.513 0.000 2.645 24 G HA2 0.608 4.489 3.960 -0.130 0.000 0.292 24 G HA3 0.608 4.489 3.960 -0.130 0.000 0.292 24 G C -1.387 173.414 174.900 -0.165 0.000 1.415 24 G CA -0.805 44.004 45.100 -0.486 0.000 0.785 24 G HN 0.642 nan 8.290 nan 0.000 0.483 25 T N -2.514 112.112 114.554 0.119 0.000 2.924 25 T HA 0.849 5.121 4.350 -0.130 0.000 0.291 25 T C -0.135 174.727 174.700 0.270 0.000 1.045 25 T CA -0.106 62.091 62.100 0.161 0.000 1.015 25 T CB 1.940 70.870 68.868 0.105 0.000 1.103 25 T HN 1.747 nan 8.240 nan 0.000 0.496 26 A N 1.167 124.046 122.820 0.099 0.000 2.380 26 A HA 0.949 5.191 4.320 -0.130 0.000 0.315 26 A C 0.053 177.428 177.584 -0.349 0.000 1.101 26 A CA -0.577 51.434 52.037 -0.042 0.000 0.771 26 A CB 1.429 20.570 19.000 0.235 0.000 1.287 26 A HN 1.726 nan 8.150 nan 0.000 0.436 27 S N -0.507 114.929 115.700 -0.440 0.000 2.705 27 S HA 0.934 5.326 4.470 -0.130 0.000 0.280 27 S C -0.619 173.820 174.600 -0.269 0.000 1.174 27 S CA -0.140 57.608 58.200 -0.753 0.000 0.823 27 S CB 1.410 63.753 63.200 -1.429 0.000 1.162 27 S HN 2.434 nan 8.310 nan 0.000 0.487 28 A N -0.321 122.355 122.820 -0.240 0.000 2.549 28 A HA 0.910 5.151 4.320 -0.130 0.000 0.297 28 A C 0.698 178.244 177.584 -0.062 0.000 1.061 28 A CA -0.412 51.448 52.037 -0.294 0.000 0.690 28 A CB 0.842 19.335 19.000 -0.845 0.000 1.287 28 A HN 1.796 nan 8.150 nan 0.000 0.402 29 A N 0.437 123.281 122.820 0.040 0.000 1.858 29 A HA -0.042 4.199 4.320 -0.130 0.000 0.216 29 A C 1.802 179.497 177.584 0.185 0.000 1.190 29 A CA 2.213 54.364 52.037 0.190 0.000 0.617 29 A CB -0.924 18.254 19.000 0.297 0.000 0.827 29 A HN 1.322 nan 8.150 nan 0.000 0.443 30 Y N 0.721 121.046 120.300 0.043 0.000 2.293 30 Y HA -0.157 4.315 4.550 -0.131 0.000 0.291 30 Y C 2.476 178.296 175.900 -0.133 0.000 1.137 30 Y CA 1.978 60.075 58.100 -0.005 0.000 1.202 30 Y CB -0.247 38.260 38.460 0.078 0.000 0.990 30 Y HN 0.463 nan 8.280 nan 0.000 0.537 31 Q N -2.211 117.466 119.800 -0.205 0.000 2.369 31 Q HA -0.161 4.101 4.340 -0.130 0.000 0.206 31 Q C 0.969 176.955 176.000 -0.023 0.000 0.963 31 Q CA 1.332 57.018 55.803 -0.195 0.000 0.894 31 Q CB 0.011 28.614 28.738 -0.225 0.000 0.965 31 Q HN 0.553 nan 8.270 nan 0.000 0.475 32 Y N -0.550 119.686 120.300 -0.106 0.000 2.638 32 Y HA 0.118 4.589 4.550 -0.131 0.000 0.275 32 Y C 1.779 177.673 175.900 -0.010 0.000 1.122 32 Y CA 0.044 58.129 58.100 -0.025 0.000 1.266 32 Y CB 0.702 39.170 38.460 0.014 0.000 1.317 32 Y HN -0.026 nan 8.280 nan 0.000 0.501 33 E N 0.028 120.317 120.200 0.148 0.000 2.072 33 E HA 0.100 4.372 4.350 -0.130 0.000 0.190 33 E C 1.503 178.125 176.600 0.036 0.000 0.982 33 E CA 0.793 57.273 56.400 0.134 0.000 0.803 33 E CB -0.280 29.510 29.700 0.150 0.000 0.755 33 E HN 0.448 nan 8.360 nan 0.000 0.453 34 G N 0.922 109.674 108.800 -0.079 0.000 2.564 34 G HA2 -0.322 3.559 3.960 -0.130 0.000 0.273 34 G HA3 -0.322 3.559 3.960 -0.130 0.000 0.273 34 G C 0.463 175.271 174.900 -0.154 0.000 1.242 34 G CA 0.464 45.496 45.100 -0.113 0.000 0.951 34 G HN 1.008 nan 8.290 nan 0.000 0.564 35 A N -2.466 120.274 122.820 -0.133 0.000 2.640 35 A HA 0.088 4.330 4.320 -0.130 0.000 0.300 35 A C 2.271 179.690 177.584 -0.274 0.000 1.499 35 A CA 2.556 54.441 52.037 -0.254 0.000 0.759 35 A CB -2.092 16.502 19.000 -0.678 0.000 1.048 35 A HN 2.615 nan 8.150 nan 0.000 0.450 36 V N -3.325 116.512 119.914 -0.129 0.000 2.970 36 V HA 0.000 4.042 4.120 -0.130 0.000 0.260 36 V C 1.446 177.512 176.094 -0.047 0.000 1.100 36 V CA 2.240 64.510 62.300 -0.051 0.000 1.122 36 V CB -0.460 31.384 31.823 0.036 0.000 0.721 36 V HN 0.588 nan 8.190 nan 0.000 0.483 37 K N 0.075 120.431 120.400 -0.073 0.000 2.413 37 K HA 0.331 4.572 4.320 -0.130 0.000 0.204 37 K C 0.457 177.015 176.600 -0.069 0.000 1.041 37 K CA -0.118 56.138 56.287 -0.051 0.000 1.082 37 K CB 0.671 33.152 32.500 -0.032 0.000 0.871 37 K HN 0.603 nan 8.250 nan 0.000 0.535 38 E N 1.562 121.678 120.200 -0.140 0.000 2.266 38 E HA 0.010 4.282 4.350 -0.130 0.000 0.277 38 E C -0.742 175.778 176.600 -0.134 0.000 1.018 38 E CA -0.202 56.112 56.400 -0.144 0.000 0.840 38 E CB 0.605 30.165 29.700 -0.234 0.000 1.082 38 E HN 0.092 nan 8.360 nan 0.000 0.395 39 D N 2.992 123.374 120.400 -0.030 0.000 2.772 39 D HA -0.206 4.355 4.640 -0.130 0.000 0.233 39 D C 0.600 176.917 176.300 0.027 0.000 1.143 39 D CA 1.389 55.404 54.000 0.026 0.000 0.700 39 D CB -1.427 39.428 40.800 0.092 0.000 1.076 39 D HN 0.893 nan 8.370 nan 0.000 0.430 40 G N 0.071 108.880 108.800 0.015 0.000 2.179 40 G HA2 -0.410 3.472 3.960 -0.130 0.000 0.260 40 G HA3 -0.410 3.472 3.960 -0.130 0.000 0.260 40 G C 0.409 175.329 174.900 0.033 0.000 0.977 40 G CA 0.461 45.578 45.100 0.029 0.000 0.641 40 G HN 0.647 nan 8.290 nan 0.000 0.533 41 R N 1.049 121.557 120.500 0.014 0.000 2.504 41 R HA 0.379 4.641 4.340 -0.130 0.000 0.291 41 R C 1.178 177.503 176.300 0.042 0.000 0.974 41 R CA 0.668 56.789 56.100 0.035 0.000 1.077 41 R CB -0.098 30.199 30.300 -0.005 0.000 0.926 41 R HN 0.422 nan 8.270 nan 0.000 0.407 42 G N 2.873 111.710 108.800 0.062 0.000 2.503 42 G HA2 0.049 3.931 3.960 -0.130 0.000 0.257 42 G HA3 0.049 3.931 3.960 -0.130 0.000 0.257 42 G C -0.694 174.232 174.900 0.042 0.000 1.214 42 G CA -0.551 44.572 45.100 0.040 0.000 0.839 42 G HN 0.713 nan 8.290 nan 0.000 0.559 43 Q N -0.245 119.569 119.800 0.023 0.000 2.349 43 Q HA 0.358 4.620 4.340 -0.130 0.000 0.287 43 Q C 0.719 176.734 176.000 0.025 0.000 1.044 43 Q CA 0.411 56.233 55.803 0.032 0.000 0.918 43 Q CB 0.522 29.265 28.738 0.010 0.000 1.242 43 Q HN 0.690 nan 8.270 nan 0.000 0.405 44 T N 0.345 114.934 114.554 0.058 0.000 2.940 44 T HA 0.376 4.647 4.350 -0.130 0.000 0.288 44 T C 1.242 175.969 174.700 0.044 0.000 1.045 44 T CA -0.339 61.789 62.100 0.046 0.000 1.018 44 T CB 0.504 69.425 68.868 0.087 0.000 1.151 44 T HN 0.734 nan 8.240 nan 0.000 0.529 45 I N -2.689 117.899 120.570 0.030 0.000 2.567 45 I HA 0.070 4.162 4.170 -0.130 0.000 0.257 45 I C 1.649 177.722 176.117 -0.073 0.000 1.184 45 I CA 0.812 62.090 61.300 -0.037 0.000 1.451 45 I CB -0.420 37.526 38.000 -0.089 0.000 1.089 45 I HN 0.601 nan 8.210 nan 0.000 0.441 46 W N 1.978 123.256 121.300 -0.037 0.000 2.576 46 W HA -0.005 4.576 4.660 -0.132 0.000 0.270 46 W C 2.241 178.792 176.519 0.052 0.000 1.255 46 W CA 0.621 57.947 57.345 -0.031 0.000 1.314 46 W CB -0.002 29.274 29.460 -0.307 0.000 1.101 46 W HN 0.135 nan 8.180 nan 0.000 0.595 47 D N -0.518 120.012 120.400 0.218 0.000 2.117 47 D HA -0.149 4.413 4.640 -0.130 0.000 0.197 47 D C 1.873 178.395 176.300 0.371 0.000 0.987 47 D CA 1.984 56.213 54.000 0.382 0.000 0.829 47 D CB -0.589 40.365 40.800 0.257 0.000 0.961 47 D HN 0.096 nan 8.370 nan 0.000 0.460 48 T N 0.842 115.529 114.554 0.221 0.000 2.708 48 T HA -0.167 4.105 4.350 -0.130 0.000 0.266 48 T C 1.746 176.580 174.700 0.224 0.000 1.037 48 T CA 0.731 62.939 62.100 0.179 0.000 1.146 48 T CB -0.505 68.418 68.868 0.092 0.000 0.865 48 T HN 0.077 nan 8.240 nan 0.000 0.435 49 F N 1.963 121.926 119.950 0.022 0.000 2.102 49 F HA 0.029 4.478 4.527 -0.130 0.000 0.298 49 F C 2.500 178.376 175.800 0.127 0.000 1.105 49 F CA 0.991 58.964 58.000 -0.045 0.000 1.239 49 F CB -0.594 38.182 39.000 -0.374 0.000 0.991 49 F HN 0.137 nan 8.300 nan 0.000 0.474 50 A N -1.400 121.694 122.820 0.457 0.000 2.019 50 A HA -0.190 4.052 4.320 -0.130 0.000 0.219 50 A C 1.570 179.156 177.584 0.005 0.000 1.164 50 A CA 1.516 53.767 52.037 0.357 0.000 0.644 50 A CB -0.987 18.255 19.000 0.403 0.000 0.805 50 A HN 0.596 nan 8.150 nan 0.000 0.449 51 H N -0.563 118.603 119.070 0.161 0.000 2.505 51 H HA 0.156 4.634 4.556 -0.130 0.000 0.289 51 H C -0.508 174.867 175.328 0.079 0.000 1.052 51 H CA 0.353 56.471 56.048 0.116 0.000 1.156 51 H CB 0.161 29.987 29.762 0.107 0.000 1.507 51 H HN 0.261 nan 8.280 nan 0.000 0.548 52 T N 1.441 116.036 114.554 0.067 0.000 2.797 52 T HA 0.106 4.378 4.350 -0.130 0.000 0.279 52 T C -0.252 174.441 174.700 -0.012 0.000 0.991 52 T CA -0.625 61.487 62.100 0.020 0.000 0.979 52 T CB 1.290 70.105 68.868 -0.088 0.000 0.943 52 T HN 0.106 nan 8.240 nan 0.000 0.444 53 F N 2.756 122.693 119.950 -0.023 0.000 2.607 53 F HA 0.373 4.823 4.527 -0.130 0.000 0.374 53 F C 1.360 177.114 175.800 -0.077 0.000 1.104 53 F CA 1.262 59.263 58.000 0.001 0.000 1.296 53 F CB -0.080 38.943 39.000 0.039 0.000 1.085 53 F HN 0.838 nan 8.300 nan 0.000 0.584 54 G N 4.124 112.201 108.800 -1.205 0.000 2.195 54 G HA2 -0.302 3.580 3.960 -0.130 0.000 0.246 54 G HA3 -0.302 3.580 3.960 -0.130 0.000 0.246 54 G C 1.108 175.611 174.900 -0.662 0.000 0.984 54 G CA 0.332 44.762 45.100 -1.116 0.000 0.633 54 G HN 0.572 nan 8.290 nan 0.000 0.525 55 K N -0.249 119.796 120.400 -0.591 0.000 2.211 55 K HA 0.346 4.587 4.320 -0.130 0.000 0.201 55 K C 1.069 177.458 176.600 -0.352 0.000 1.052 55 K CA 0.651 56.543 56.287 -0.660 0.000 0.973 55 K CB 0.383 32.117 32.500 -1.276 0.000 0.766 55 K HN 0.473 nan 8.250 nan 0.000 0.466 56 I N 1.788 122.199 120.570 -0.265 0.000 2.406 56 I HA 0.093 4.184 4.170 -0.130 0.000 0.290 56 I C 1.487 177.427 176.117 -0.295 0.000 0.999 56 I CA -0.231 60.997 61.300 -0.119 0.000 1.124 56 I CB 1.262 39.329 38.000 0.111 0.000 1.289 56 I HN 0.022 nan 8.210 nan 0.000 0.441 57 T N 0.247 114.648 114.554 -0.255 0.000 2.915 57 T HA -0.144 4.128 4.350 -0.130 0.000 0.269 57 T C 0.775 175.227 174.700 -0.414 0.000 1.071 57 T CA 1.315 63.220 62.100 -0.325 0.000 1.132 57 T CB -0.188 68.571 68.868 -0.182 0.000 0.878 57 T HN 0.632 nan 8.240 nan 0.000 0.479 58 D N -0.049 120.200 120.400 -0.252 0.000 2.424 58 D HA 0.094 4.656 4.640 -0.130 0.000 0.220 58 D C 0.301 176.677 176.300 0.127 0.000 1.150 58 D CA -0.924 53.036 54.000 -0.068 0.000 0.831 58 D CB -1.015 39.810 40.800 0.042 0.000 0.981 58 D HN 0.451 nan 8.370 nan 0.000 0.500 59 F N 0.031 120.009 119.950 0.046 0.000 2.953 59 F HA -0.288 4.162 4.527 -0.129 0.000 0.292 59 F C 0.838 176.696 175.800 0.097 0.000 0.747 59 F CA 0.687 58.723 58.000 0.060 0.000 1.222 59 F CB -2.376 36.665 39.000 0.068 0.000 1.457 59 F HN 0.182 nan 8.300 nan 0.000 0.383 60 S N 0.388 116.251 115.700 0.271 0.000 2.730 60 S HA 0.826 5.218 4.470 -0.130 0.000 0.284 60 S C -0.050 174.718 174.600 0.279 0.000 1.153 60 S CA 0.067 58.455 58.200 0.313 0.000 0.995 60 S CB 2.724 66.179 63.200 0.426 0.000 1.058 60 S HN 0.441 nan 8.310 nan 0.000 0.552 61 N N -1.482 117.254 118.700 0.059 0.000 2.972 61 N HA 0.622 5.284 4.740 -0.130 0.000 0.262 61 N C -0.965 174.019 175.510 -0.875 0.000 1.478 61 N CA -0.694 52.120 53.050 -0.393 0.000 0.841 61 N CB 1.019 39.273 38.487 -0.389 0.000 1.512 61 N HN 0.775 nan 8.380 nan 0.000 0.548 62 A N -0.684 121.421 122.820 -1.192 0.000 2.713 62 A HA 0.292 4.534 4.320 -0.130 0.000 0.296 62 A C 0.091 177.333 177.584 -0.571 0.000 1.255 62 A CA -0.380 50.997 52.037 -1.099 0.000 0.955 62 A CB -0.625 17.354 19.000 -1.702 0.000 1.149 62 A HN 0.622 nan 8.150 nan 0.000 0.538 63 D N -0.426 119.809 120.400 -0.275 0.000 2.144 63 D HA -0.106 4.456 4.640 -0.130 0.000 0.199 63 D C 1.703 177.939 176.300 -0.107 0.000 0.984 63 D CA 1.537 55.478 54.000 -0.099 0.000 0.834 63 D CB 0.319 41.137 40.800 0.030 0.000 0.955 63 D HN 0.288 nan 8.370 nan 0.000 0.465 64 V N -0.504 119.349 119.914 -0.102 0.000 3.048 64 V HA 0.333 4.375 4.120 -0.130 0.000 0.241 64 V C 1.275 177.334 176.094 -0.059 0.000 1.129 64 V CA 0.651 62.918 62.300 -0.055 0.000 1.128 64 V CB 0.033 31.840 31.823 -0.028 0.000 0.849 64 V HN 0.324 nan 8.190 nan 0.000 0.475 65 A N 0.791 123.572 122.820 -0.064 0.000 5.382 65 A HA -0.297 3.945 4.320 -0.130 0.000 0.307 65 A C 1.255 178.873 177.584 0.056 0.000 1.937 65 A CA 2.481 54.525 52.037 0.012 0.000 0.715 65 A CB -1.740 17.184 19.000 -0.127 0.000 1.293 65 A HN 1.477 nan 8.150 nan 0.000 0.374 66 V N -2.607 117.317 119.914 0.017 0.000 3.444 66 V HA 0.531 4.573 4.120 -0.130 0.000 0.308 66 V C 0.558 176.662 176.094 0.016 0.000 1.371 66 V CA 1.840 64.134 62.300 -0.010 0.000 1.141 66 V CB -0.142 31.611 31.823 -0.116 0.000 1.037 66 V HN 1.889 nan 8.190 nan 0.000 0.433 67 D N 0.708 121.140 120.400 0.054 0.000 2.870 67 D HA -0.310 4.251 4.640 -0.130 0.000 0.228 67 D C 1.165 177.559 176.300 0.156 0.000 1.147 67 D CA 1.479 55.552 54.000 0.121 0.000 0.757 67 D CB -1.345 39.530 40.800 0.124 0.000 1.091 67 D HN 0.744 nan 8.370 nan 0.000 0.429 68 Q N -1.306 118.594 119.800 0.168 0.000 2.291 68 Q HA -0.210 4.051 4.340 -0.130 0.000 0.206 68 Q C 1.756 177.918 176.000 0.269 0.000 0.976 68 Q CA 1.236 57.172 55.803 0.221 0.000 0.875 68 Q CB -0.157 28.768 28.738 0.313 0.000 0.927 68 Q HN 0.728 nan 8.270 nan 0.000 0.450 69 Y N -0.212 120.111 120.300 0.039 0.000 2.241 69 Y HA -0.270 4.202 4.550 -0.131 0.000 0.286 69 Y C 1.100 176.985 175.900 -0.025 0.000 1.166 69 Y CA 2.307 60.346 58.100 -0.102 0.000 1.203 69 Y CB 0.062 38.255 38.460 -0.444 0.000 0.977 69 Y HN 0.327 nan 8.280 nan 0.000 0.529 70 H N -2.065 117.143 119.070 0.230 0.000 2.740 70 H HA 0.326 4.803 4.556 -0.130 0.000 0.265 70 H C 1.197 176.455 175.328 -0.117 0.000 0.978 70 H CA 0.170 56.253 56.048 0.059 0.000 1.198 70 H CB 0.433 30.235 29.762 0.067 0.000 1.467 70 H HN 0.101 nan 8.280 nan 0.000 0.511 71 R N 0.562 121.076 120.500 0.023 0.000 2.543 71 R HA 0.092 4.354 4.340 -0.130 0.000 0.323 71 R C 0.553 176.759 176.300 -0.157 0.000 1.002 71 R CA -0.081 55.956 56.100 -0.106 0.000 1.106 71 R CB 0.086 30.365 30.300 -0.034 0.000 1.280 71 R HN 0.300 nan 8.270 nan 0.000 0.549 72 F N 0.934 120.833 119.950 -0.086 0.000 2.161 72 F HA -0.058 4.391 4.527 -0.130 0.000 0.300 72 F C 1.537 177.231 175.800 -0.176 0.000 1.089 72 F CA 1.021 58.937 58.000 -0.141 0.000 1.282 72 F CB -0.349 38.544 39.000 -0.177 0.000 1.010 72 F HN -0.103 nan 8.300 nan 0.000 0.485 73 E N 0.613 120.472 120.200 -0.569 0.000 2.110 73 E HA -0.247 4.025 4.350 -0.130 0.000 0.193 73 E C 2.172 178.633 176.600 -0.231 0.000 0.988 73 E CA 1.309 57.511 56.400 -0.329 0.000 0.804 73 E CB -0.374 29.083 29.700 -0.405 0.000 0.745 73 E HN 0.715 nan 8.360 nan 0.000 0.458 74 E N 1.091 121.144 120.200 -0.244 0.000 2.077 74 E HA -0.240 4.032 4.350 -0.130 0.000 0.193 74 E C 1.327 177.796 176.600 -0.217 0.000 0.989 74 E CA 1.448 57.725 56.400 -0.205 0.000 0.800 74 E CB 0.099 29.683 29.700 -0.193 0.000 0.746 74 E HN 0.127 nan 8.360 nan 0.000 0.452 75 D N 0.407 120.682 120.400 -0.209 0.000 2.144 75 D HA -0.102 4.460 4.640 -0.130 0.000 0.200 75 D C 2.053 178.185 176.300 -0.279 0.000 0.978 75 D CA 0.791 54.642 54.000 -0.249 0.000 0.833 75 D CB -0.140 40.561 40.800 -0.165 0.000 0.961 75 D HN 0.329 nan 8.370 nan 0.000 0.470 76 I N 0.514 120.945 120.570 -0.232 0.000 2.315 76 I HA -0.271 3.821 4.170 -0.130 0.000 0.248 76 I C 2.375 178.390 176.117 -0.169 0.000 1.117 76 I CA 0.844 62.011 61.300 -0.221 0.000 1.404 76 I CB -0.054 37.863 38.000 -0.139 0.000 1.071 76 I HN -0.079 nan 8.210 nan 0.000 0.419 77 Q N 1.188 120.896 119.800 -0.153 0.000 2.170 77 Q HA -0.148 4.113 4.340 -0.130 0.000 0.203 77 Q C 2.085 178.013 176.000 -0.121 0.000 0.976 77 Q CA 1.677 57.407 55.803 -0.121 0.000 0.858 77 Q CB -0.341 28.327 28.738 -0.117 0.000 0.907 77 Q HN 0.497 nan 8.270 nan 0.000 0.433 78 L N -0.754 120.353 121.223 -0.193 0.000 2.046 78 L HA -0.200 4.062 4.340 -0.130 0.000 0.208 78 L C 2.409 179.242 176.870 -0.061 0.000 1.077 78 L CA 1.409 56.125 54.840 -0.207 0.000 0.747 78 L CB -0.525 41.160 42.059 -0.624 0.000 0.896 78 L HN 0.330 nan 8.230 nan 0.000 0.432 79 M N -0.404 119.125 119.600 -0.118 0.000 2.117 79 M HA -0.156 4.246 4.480 -0.130 0.000 0.262 79 M C 2.533 178.813 176.300 -0.033 0.000 1.065 79 M CA 1.915 57.173 55.300 -0.070 0.000 1.114 79 M CB -0.618 31.893 32.600 -0.149 0.000 1.361 79 M HN 0.269 nan 8.290 nan 0.000 0.408 80 A N 0.350 123.140 122.820 -0.050 0.000 1.969 80 A HA -0.168 4.074 4.320 -0.130 0.000 0.218 80 A C 1.678 179.258 177.584 -0.007 0.000 1.169 80 A CA 1.829 53.849 52.037 -0.028 0.000 0.635 80 A CB -0.699 18.279 19.000 -0.037 0.000 0.810 80 A HN 0.384 nan 8.150 nan 0.000 0.445 81 D N -0.243 120.159 120.400 0.005 0.000 2.149 81 D HA -0.156 4.406 4.640 -0.130 0.000 0.198 81 D C 1.814 178.141 176.300 0.045 0.000 0.990 81 D CA 1.410 55.430 54.000 0.033 0.000 0.839 81 D CB -0.284 40.558 40.800 0.070 0.000 0.948 81 D HN 0.521 nan 8.370 nan 0.000 0.460 82 M N -1.323 118.310 119.600 0.055 0.000 2.541 82 M HA 0.144 4.545 4.480 -0.130 0.000 0.252 82 M C 1.116 177.424 176.300 0.014 0.000 1.125 82 M CA 0.670 56.000 55.300 0.050 0.000 1.091 82 M CB 0.642 33.285 32.600 0.072 0.000 1.420 82 M HN 0.082 nan 8.290 nan 0.000 0.486 83 G N 1.197 109.999 108.800 0.005 0.000 2.149 83 G HA2 -0.189 3.692 3.960 -0.130 0.000 0.235 83 G HA3 -0.189 3.692 3.960 -0.130 0.000 0.235 83 G C 0.062 174.962 174.900 0.001 0.000 1.018 83 G CA -0.369 44.728 45.100 -0.004 0.000 0.728 83 G HN 0.257 nan 8.290 nan 0.000 0.508 84 M N 0.625 120.226 119.600 0.000 0.000 2.249 84 M HA 0.149 4.551 4.480 -0.130 0.000 0.340 84 M C 1.149 177.458 176.300 0.016 0.000 1.166 84 M CA 0.355 55.657 55.300 0.003 0.000 1.115 84 M CB 0.232 32.824 32.600 -0.013 0.000 1.606 84 M HN 0.141 nan 8.290 nan 0.000 0.448 85 D N 1.141 121.552 120.400 0.017 0.000 2.271 85 D HA 0.244 4.806 4.640 -0.130 0.000 0.206 85 D C 0.388 176.707 176.300 0.032 0.000 0.967 85 D CA 0.655 54.668 54.000 0.021 0.000 0.867 85 D CB 0.477 41.282 40.800 0.008 0.000 0.960 85 D HN 0.627 nan 8.370 nan 0.000 0.509 86 A N -0.431 122.393 122.820 0.007 0.000 2.602 86 A HA 0.540 4.781 4.320 -0.130 0.000 0.290 86 A C -2.086 175.664 177.584 0.276 0.000 1.114 86 A CA -0.629 51.484 52.037 0.127 0.000 0.683 86 A CB 1.741 20.740 19.000 -0.003 0.000 1.281 86 A HN 0.006 nan 8.150 nan 0.000 0.416 87 Y N 0.515 120.959 120.300 0.241 0.000 2.396 87 Y HA 0.605 5.077 4.550 -0.130 0.000 0.332 87 Y C -0.227 175.806 175.900 0.223 0.000 1.034 87 Y CA -0.718 57.518 58.100 0.228 0.000 1.057 87 Y CB 1.537 40.092 38.460 0.158 0.000 1.220 87 Y HN 0.815 nan 8.280 nan 0.000 0.440 88 R N 6.674 127.045 120.500 -0.216 0.000 2.254 88 R HA 0.555 4.816 4.340 -0.130 0.000 0.318 88 R C -1.586 174.305 176.300 -0.682 0.000 1.031 88 R CA -0.258 55.533 56.100 -0.514 0.000 0.905 88 R CB 0.323 30.220 30.300 -0.671 0.000 1.050 88 R HN 0.582 nan 8.270 nan 0.000 0.456 89 F N 0.715 120.314 119.950 -0.585 0.000 2.643 89 F HA 0.578 5.027 4.527 -0.130 0.000 0.314 89 F C -1.051 174.593 175.800 -0.259 0.000 1.096 89 F CA -1.104 56.584 58.000 -0.519 0.000 0.953 89 F CB 1.373 40.084 39.000 -0.483 0.000 1.345 89 F HN 0.404 nan 8.300 nan 0.000 0.468 90 S N 1.661 117.359 115.700 -0.004 0.000 2.593 90 S HA 0.770 5.162 4.470 -0.130 0.000 0.297 90 S C -0.843 173.825 174.600 0.113 0.000 1.112 90 S CA -0.735 57.457 58.200 -0.014 0.000 1.043 90 S CB 1.380 64.622 63.200 0.070 0.000 1.054 90 S HN 0.722 nan 8.310 nan 0.000 0.516 91 I N 2.096 122.643 120.570 -0.038 0.000 2.331 91 I HA 0.400 4.492 4.170 -0.130 0.000 0.292 91 I C 0.565 176.775 176.117 0.155 0.000 0.998 91 I CA -0.779 60.364 61.300 -0.261 0.000 1.267 91 I CB 1.387 39.155 38.000 -0.386 0.000 1.386 91 I HN 0.900 nan 8.210 nan 0.000 0.476 92 A N 7.217 130.215 122.820 0.297 0.000 2.444 92 A HA -0.041 4.201 4.320 -0.130 0.000 0.287 92 A C 0.850 178.694 177.584 0.433 0.000 1.195 92 A CA -0.262 52.018 52.037 0.405 0.000 0.858 92 A CB -0.208 19.053 19.000 0.435 0.000 1.117 92 A HN 0.973 nan 8.150 nan 0.000 0.521 93 W N 3.416 124.799 121.300 0.139 0.000 2.305 93 W HA -0.298 4.284 4.660 -0.131 0.000 0.308 93 W C 2.126 178.646 176.519 0.001 0.000 1.226 93 W CA 2.579 59.800 57.345 -0.208 0.000 1.253 93 W CB -0.820 28.405 29.460 -0.391 0.000 1.146 93 W HN 0.797 nan 8.180 nan 0.000 0.507 94 S N 0.023 115.911 115.700 0.314 0.000 2.515 94 S HA -0.047 4.344 4.470 -0.130 0.000 0.231 94 S C 1.789 176.520 174.600 0.218 0.000 0.987 94 S CA 0.739 59.052 58.200 0.189 0.000 0.936 94 S CB -0.398 62.865 63.200 0.105 0.000 0.766 94 S HN 0.367 nan 8.310 nan 0.000 0.528 95 R N 0.052 120.728 120.500 0.294 0.000 2.200 95 R HA 0.220 4.482 4.340 -0.130 0.000 0.208 95 R C 1.452 177.919 176.300 0.279 0.000 1.033 95 R CA 0.728 57.000 56.100 0.287 0.000 1.000 95 R CB -0.132 30.407 30.300 0.399 0.000 0.906 95 R HN 0.428 nan 8.270 nan 0.000 0.462 96 I N -0.827 119.928 120.570 0.308 0.000 2.512 96 I HA -0.059 4.033 4.170 -0.130 0.000 0.247 96 I C 0.293 176.334 176.117 -0.126 0.000 1.094 96 I CA 0.995 62.384 61.300 0.149 0.000 1.427 96 I CB -0.369 37.794 38.000 0.273 0.000 1.149 96 I HN -0.039 nan 8.210 nan 0.000 0.438 97 Y N 1.354 121.842 120.300 0.313 0.000 2.686 97 Y HA 0.347 4.819 4.550 -0.131 0.000 0.331 97 Y C -1.717 174.263 175.900 0.134 0.000 0.996 97 Y CA -2.196 56.044 58.100 0.232 0.000 1.293 97 Y CB 0.642 39.286 38.460 0.307 0.000 1.092 97 Y HN -0.033 nan 8.280 nan 0.000 0.524 98 P HA -0.165 nan 4.420 nan 0.000 0.217 98 P C 0.535 177.862 177.300 0.045 0.000 1.148 98 P CA 1.588 64.751 63.100 0.105 0.000 0.828 98 P CB 0.389 32.138 31.700 0.081 0.000 0.783 99 N N -1.778 116.962 118.700 0.066 0.000 2.251 99 N HA 0.116 4.777 4.740 -0.130 0.000 0.217 99 N C 1.397 176.868 175.510 -0.065 0.000 1.124 99 N CA 0.862 53.905 53.050 -0.011 0.000 0.843 99 N CB 0.472 38.968 38.487 0.014 0.000 1.024 99 N HN 0.135 nan 8.380 nan 0.000 0.501 100 G N 0.455 109.218 108.800 -0.060 0.000 2.708 100 G HA2 -0.345 3.536 3.960 -0.130 0.000 0.229 100 G HA3 -0.345 3.536 3.960 -0.130 0.000 0.229 100 G C 0.233 175.177 174.900 0.073 0.000 1.236 100 G CA 0.872 45.874 45.100 -0.164 0.000 0.749 100 G HN 0.391 nan 8.290 nan 0.000 0.515 101 V N -2.726 117.170 119.914 -0.030 0.000 3.155 101 V HA 1.019 5.061 4.120 -0.130 0.000 0.313 101 V C 1.097 177.190 176.094 -0.002 0.000 1.162 101 V CA 0.531 62.737 62.300 -0.157 0.000 1.048 101 V CB 1.141 32.917 31.823 -0.078 0.000 1.092 101 V HN 2.488 nan 8.190 nan 0.000 0.447 102 G N 1.071 109.876 108.800 0.008 0.000 2.601 102 G HA2 -0.087 3.795 3.960 -0.130 0.000 0.224 102 G HA3 -0.087 3.795 3.960 -0.130 0.000 0.224 102 G C -0.293 174.780 174.900 0.289 0.000 1.171 102 G CA 0.359 45.540 45.100 0.134 0.000 1.009 102 G HN 1.557 nan 8.290 nan 0.000 0.589 103 Q N 0.937 120.878 119.800 0.235 0.000 2.286 103 Q HA 0.512 4.774 4.340 -0.130 0.000 0.267 103 Q C 0.559 176.679 176.000 0.199 0.000 1.028 103 Q CA 0.007 55.924 55.803 0.191 0.000 0.901 103 Q CB 0.894 29.700 28.738 0.113 0.000 1.183 103 Q HN 0.974 nan 8.270 nan 0.000 0.392 104 V N 4.586 124.557 119.914 0.095 0.000 2.740 104 V HA 0.017 4.059 4.120 -0.130 0.000 0.303 104 V C 0.442 176.487 176.094 -0.082 0.000 1.054 104 V CA -0.221 61.953 62.300 -0.209 0.000 1.106 104 V CB 0.632 32.319 31.823 -0.227 0.000 0.957 104 V HN 0.862 nan 8.190 nan 0.000 0.486 105 N N 2.647 121.289 118.700 -0.096 0.000 2.558 105 N HA 0.169 4.830 4.740 -0.130 0.000 0.233 105 N C 0.740 176.265 175.510 0.025 0.000 1.038 105 N CA -0.312 52.740 53.050 0.004 0.000 0.934 105 N CB 1.228 39.742 38.487 0.045 0.000 1.175 105 N HN 0.641 nan 8.380 nan 0.000 0.512 106 Q N 3.733 123.550 119.800 0.029 0.000 2.152 106 Q HA -0.113 4.149 4.340 -0.130 0.000 0.206 106 Q C 1.536 177.586 176.000 0.083 0.000 0.985 106 Q CA 2.194 58.025 55.803 0.045 0.000 0.863 106 Q CB -0.316 28.444 28.738 0.037 0.000 0.904 106 Q HN 0.740 nan 8.270 nan 0.000 0.422 107 A N -0.541 122.333 122.820 0.090 0.000 1.972 107 A HA -0.054 4.188 4.320 -0.130 0.000 0.219 107 A C 2.236 179.918 177.584 0.162 0.000 1.169 107 A CA 1.582 53.688 52.037 0.116 0.000 0.635 107 A CB -1.218 17.847 19.000 0.108 0.000 0.810 107 A HN 0.549 nan 8.150 nan 0.000 0.446 108 G N 0.104 109.014 108.800 0.183 0.000 2.404 108 G HA2 -0.168 3.714 3.960 -0.130 0.000 0.215 108 G HA3 -0.168 3.714 3.960 -0.130 0.000 0.215 108 G C 1.519 176.652 174.900 0.388 0.000 1.174 108 G CA 1.054 46.324 45.100 0.282 0.000 0.780 108 G HN 0.474 nan 8.290 nan 0.000 0.537 109 I N 1.130 121.897 120.570 0.328 0.000 2.208 109 I HA -0.159 3.933 4.170 -0.130 0.000 0.245 109 I C 2.230 178.549 176.117 0.336 0.000 1.097 109 I CA 1.282 62.818 61.300 0.394 0.000 1.363 109 I CB -0.204 37.885 38.000 0.149 0.000 1.051 109 I HN 0.062 nan 8.210 nan 0.000 0.413 110 D N -0.443 120.072 120.400 0.192 0.000 2.144 110 D HA -0.224 4.338 4.640 -0.130 0.000 0.199 110 D C 1.967 178.294 176.300 0.044 0.000 0.984 110 D CA 1.392 55.463 54.000 0.118 0.000 0.834 110 D CB -0.405 40.449 40.800 0.090 0.000 0.955 110 D HN 0.452 nan 8.370 nan 0.000 0.465 111 H N -0.395 118.631 119.070 -0.073 0.000 2.321 111 H HA -0.154 4.323 4.556 -0.131 0.000 0.300 111 H C 1.670 176.715 175.328 -0.471 0.000 1.087 111 H CA 1.678 57.524 56.048 -0.336 0.000 1.319 111 H CB -0.345 29.125 29.762 -0.486 0.000 1.379 111 H HN 0.109 nan 8.280 nan 0.000 0.501 112 Y N 0.350 120.530 120.300 -0.200 0.000 2.293 112 Y HA -0.146 4.326 4.550 -0.130 0.000 0.291 112 Y C 2.464 178.169 175.900 -0.326 0.000 1.137 112 Y CA 1.085 58.956 58.100 -0.381 0.000 1.202 112 Y CB -0.415 37.822 38.460 -0.371 0.000 0.990 112 Y HN 0.325 nan 8.280 nan 0.000 0.537 113 N N 0.532 119.289 118.700 0.095 0.000 2.104 113 N HA -0.169 4.493 4.740 -0.130 0.000 0.190 113 N C 1.631 177.093 175.510 -0.079 0.000 1.024 113 N CA 1.475 54.587 53.050 0.104 0.000 0.853 113 N CB -0.283 38.314 38.487 0.183 0.000 1.008 113 N HN 0.379 nan 8.380 nan 0.000 0.424 114 K N 0.386 120.667 120.400 -0.197 0.000 2.057 114 K HA -0.106 4.136 4.320 -0.130 0.000 0.207 114 K C 1.942 178.326 176.600 -0.360 0.000 1.049 114 K CA 0.675 56.839 56.287 -0.206 0.000 0.931 114 K CB -0.234 32.171 32.500 -0.158 0.000 0.714 114 K HN 0.035 nan 8.250 nan 0.000 0.440 115 L N 1.506 122.246 121.223 -0.805 0.000 2.027 115 L HA -0.115 4.147 4.340 -0.130 0.000 0.206 115 L C 1.897 178.509 176.870 -0.430 0.000 1.074 115 L CA 1.541 55.814 54.840 -0.945 0.000 0.745 115 L CB -0.292 41.012 42.059 -1.257 0.000 0.898 115 L HN 0.140 nan 8.230 nan 0.000 0.433 116 I N -0.179 120.224 120.570 -0.278 0.000 2.163 116 I HA -0.308 3.784 4.170 -0.130 0.000 0.243 116 I C 2.047 178.142 176.117 -0.037 0.000 1.085 116 I CA 1.526 62.782 61.300 -0.074 0.000 1.347 116 I CB -0.597 37.406 38.000 0.004 0.000 1.044 116 I HN 0.294 nan 8.210 nan 0.000 0.408 117 D N 1.047 121.424 120.400 -0.038 0.000 2.144 117 D HA -0.148 4.414 4.640 -0.130 0.000 0.199 117 D C 2.236 178.535 176.300 -0.002 0.000 0.984 117 D CA 1.552 55.549 54.000 -0.004 0.000 0.834 117 D CB -0.229 40.575 40.800 0.007 0.000 0.955 117 D HN 0.372 nan 8.370 nan 0.000 0.465 118 A N 0.425 123.242 122.820 -0.005 0.000 1.930 118 A HA -0.088 4.154 4.320 -0.130 0.000 0.217 118 A C 2.357 179.943 177.584 0.004 0.000 1.175 118 A CA 0.772 52.827 52.037 0.030 0.000 0.627 118 A CB -0.638 18.449 19.000 0.146 0.000 0.815 118 A HN 0.180 nan 8.150 nan 0.000 0.443 119 L N -0.758 120.456 121.223 -0.015 0.000 2.005 119 L HA -0.131 4.131 4.340 -0.130 0.000 0.207 119 L C 2.509 179.391 176.870 0.020 0.000 1.072 119 L CA 1.115 55.955 54.840 0.000 0.000 0.744 119 L CB -0.469 41.612 42.059 0.036 0.000 0.895 119 L HN 0.353 nan 8.230 nan 0.000 0.433 120 L N -0.488 120.751 121.223 0.027 0.000 2.191 120 L HA -0.192 4.070 4.340 -0.130 0.000 0.212 120 L C 2.745 179.627 176.870 0.020 0.000 1.103 120 L CA 0.903 55.761 54.840 0.031 0.000 0.769 120 L CB -0.711 41.368 42.059 0.032 0.000 0.908 120 L HN 0.262 nan 8.230 nan 0.000 0.438 121 A N -0.619 122.209 122.820 0.012 0.000 2.019 121 A HA -0.147 4.095 4.320 -0.130 0.000 0.219 121 A C 2.145 179.731 177.584 0.002 0.000 1.164 121 A CA 1.339 53.380 52.037 0.006 0.000 0.644 121 A CB -0.146 18.855 19.000 0.002 0.000 0.805 121 A HN 0.199 nan 8.150 nan 0.000 0.449 122 K N -1.567 118.833 120.400 0.000 0.000 2.358 122 K HA 0.201 4.443 4.320 -0.130 0.000 0.197 122 K C 0.955 177.558 176.600 0.005 0.000 1.025 122 K CA 0.653 56.936 56.287 -0.006 0.000 1.104 122 K CB 0.281 32.768 32.500 -0.022 0.000 0.855 122 K HN 0.688 nan 8.250 nan 0.000 0.531 123 G N 2.051 110.861 108.800 0.017 0.000 2.136 123 G HA2 -0.246 3.636 3.960 -0.130 0.000 0.242 123 G HA3 -0.246 3.636 3.960 -0.130 0.000 0.242 123 G C 0.087 175.012 174.900 0.042 0.000 0.989 123 G CA -0.067 45.050 45.100 0.028 0.000 0.682 123 G HN 0.274 nan 8.290 nan 0.000 0.522 124 I N 1.069 121.667 120.570 0.046 0.000 2.321 124 I HA 0.289 4.381 4.170 -0.130 0.000 0.291 124 I C 0.280 176.468 176.117 0.118 0.000 0.998 124 I CA -0.854 60.490 61.300 0.074 0.000 1.227 124 I CB 1.366 39.396 38.000 0.050 0.000 1.368 124 I HN -0.046 nan 8.210 nan 0.000 0.466 125 Q N 7.797 127.693 119.800 0.161 0.000 2.286 125 Q HA 0.307 4.569 4.340 -0.130 0.000 0.257 125 Q C -2.311 173.854 176.000 0.275 0.000 0.941 125 Q CA -1.782 54.137 55.803 0.192 0.000 0.912 125 Q CB 1.135 30.011 28.738 0.231 0.000 1.192 125 Q HN 0.291 nan 8.270 nan 0.000 0.410 126 P HA 0.169 nan 4.420 nan 0.000 0.287 126 P C -1.224 176.026 177.300 -0.083 0.000 1.281 126 P CA -0.251 62.948 63.100 0.165 0.000 0.781 126 P CB 0.292 32.090 31.700 0.164 0.000 0.903 127 Y N 2.028 122.142 120.300 -0.310 0.000 2.356 127 Y HA 0.329 4.801 4.550 -0.131 0.000 0.334 127 Y C 0.225 175.711 175.900 -0.690 0.000 0.958 127 Y CA -0.745 57.062 58.100 -0.488 0.000 1.196 127 Y CB 1.589 39.692 38.460 -0.595 0.000 1.137 127 Y HN 0.081 nan 8.280 nan 0.000 0.485 128 V N 3.467 122.993 119.914 -0.647 0.000 2.417 128 V HA 0.378 4.420 4.120 -0.130 0.000 0.291 128 V C -0.100 175.791 176.094 -0.337 0.000 1.024 128 V CA -0.850 60.974 62.300 -0.793 0.000 0.861 128 V CB 1.801 33.052 31.823 -0.953 0.000 0.985 128 V HN 0.723 nan 8.190 nan 0.000 0.436 129 T N 6.322 120.694 114.554 -0.304 0.000 2.743 129 T HA 0.397 4.669 4.350 -0.130 0.000 0.293 129 T C 1.262 175.988 174.700 0.043 0.000 0.945 129 T CA -0.271 61.785 62.100 -0.073 0.000 1.030 129 T CB 1.094 69.935 68.868 -0.045 0.000 0.912 129 T HN 0.424 nan 8.240 nan 0.000 0.483 130 L N 1.967 123.291 121.223 0.168 0.000 2.109 130 L HA 0.111 4.372 4.340 -0.130 0.000 0.207 130 L C 0.395 177.615 176.870 0.583 0.000 1.086 130 L CA 1.019 56.010 54.840 0.252 0.000 0.760 130 L CB -0.013 42.102 42.059 0.093 0.000 0.910 130 L HN 0.600 nan 8.230 nan 0.000 0.437 131 Y N -0.326 120.230 120.300 0.426 0.000 2.426 131 Y HA 0.299 4.770 4.550 -0.131 0.000 0.325 131 Y C -0.260 175.834 175.900 0.323 0.000 0.989 131 Y CA -0.968 57.434 58.100 0.504 0.000 1.284 131 Y CB 0.281 39.090 38.460 0.582 0.000 1.104 131 Y HN -0.014 nan 8.280 nan 0.000 0.481 132 H N 6.611 125.559 119.070 -0.204 0.000 2.474 132 H HA 0.155 4.633 4.556 -0.130 0.000 0.250 132 H C -0.668 174.473 175.328 -0.311 0.000 1.307 132 H CA -0.042 55.802 56.048 -0.340 0.000 1.058 132 H CB -0.175 29.447 29.762 -0.234 0.000 1.693 132 H HN 0.970 nan 8.280 nan 0.000 0.552 133 W N -0.041 120.788 121.300 -0.784 0.000 1.273 133 W HA -0.208 4.374 4.660 -0.131 0.000 0.240 133 W C 0.001 176.550 176.519 0.050 0.000 0.987 133 W CA 0.637 57.744 57.345 -0.396 0.000 0.393 133 W CB -2.148 27.143 29.460 -0.281 0.000 1.994 133 W HN 0.510 nan 8.180 nan 0.000 1.170 134 D N 1.096 121.630 120.400 0.224 0.000 3.110 134 D HA 0.396 4.958 4.640 -0.130 0.000 0.254 134 D C 0.351 176.892 176.300 0.402 0.000 1.283 134 D CA -0.383 53.839 54.000 0.370 0.000 0.944 134 D CB -0.534 40.449 40.800 0.305 0.000 1.066 134 D HN 0.067 nan 8.370 nan 0.000 0.496 135 L N 1.005 122.550 121.223 0.538 0.000 2.578 135 L HA 0.167 4.429 4.340 -0.130 0.000 0.279 135 L C -2.279 174.555 176.870 -0.060 0.000 1.227 135 L CA -1.073 53.934 54.840 0.278 0.000 0.900 135 L CB 0.117 42.338 42.059 0.270 0.000 1.144 135 L HN -0.005 nan 8.230 nan 0.000 0.496 136 P HA -0.036 nan 4.420 nan 0.000 0.261 136 P C -0.168 176.980 177.300 -0.252 0.000 1.183 136 P CA 0.141 63.056 63.100 -0.308 0.000 0.761 136 P CB 0.602 32.010 31.700 -0.486 0.000 0.785 137 Q N 5.063 124.777 119.800 -0.143 0.000 2.181 137 Q HA -0.225 4.036 4.340 -0.130 0.000 0.205 137 Q C 1.929 177.822 176.000 -0.178 0.000 0.980 137 Q CA 2.314 58.041 55.803 -0.127 0.000 0.862 137 Q CB -1.034 27.664 28.738 -0.066 0.000 0.905 137 Q HN 0.517 nan 8.270 nan 0.000 0.429 138 A N -0.071 122.635 122.820 -0.190 0.000 1.978 138 A HA -0.164 4.078 4.320 -0.130 0.000 0.220 138 A C 2.002 179.389 177.584 -0.329 0.000 1.170 138 A CA 1.568 53.481 52.037 -0.207 0.000 0.636 138 A CB -0.656 18.248 19.000 -0.160 0.000 0.810 138 A HN 0.471 nan 8.150 nan 0.000 0.448 139 L N -1.456 119.496 121.223 -0.452 0.000 2.131 139 L HA -0.091 4.171 4.340 -0.130 0.000 0.206 139 L C 2.553 178.978 176.870 -0.742 0.000 1.087 139 L CA 1.358 55.749 54.840 -0.748 0.000 0.767 139 L CB -0.437 41.168 42.059 -0.757 0.000 0.917 139 L HN 0.407 nan 8.230 nan 0.000 0.441 140 E N 0.755 120.699 120.200 -0.428 0.000 2.077 140 E HA -0.230 4.042 4.350 -0.130 0.000 0.193 140 E C 1.684 178.150 176.600 -0.223 0.000 0.989 140 E CA 1.506 57.746 56.400 -0.265 0.000 0.800 140 E CB 0.014 29.622 29.700 -0.152 0.000 0.746 140 E HN 0.327 nan 8.360 nan 0.000 0.452 141 D N -0.158 120.111 120.400 -0.219 0.000 2.117 141 D HA -0.128 4.433 4.640 -0.130 0.000 0.198 141 D C 1.713 177.915 176.300 -0.164 0.000 0.982 141 D CA 0.951 54.860 54.000 -0.152 0.000 0.828 141 D CB -0.162 40.565 40.800 -0.122 0.000 0.967 141 D HN 0.185 nan 8.370 nan 0.000 0.464 142 K N -0.160 120.076 120.400 -0.274 0.000 2.062 142 K HA -0.122 4.120 4.320 -0.130 0.000 0.205 142 K C 0.787 177.330 176.600 -0.094 0.000 1.051 142 K CA 0.977 57.139 56.287 -0.208 0.000 0.941 142 K CB 0.193 32.523 32.500 -0.283 0.000 0.719 142 K HN 0.369 nan 8.250 nan 0.000 0.440 143 Y N -2.572 117.680 120.300 -0.078 0.000 2.863 143 Y HA 0.399 4.870 4.550 -0.131 0.000 0.254 143 Y C -0.717 175.147 175.900 -0.061 0.000 1.124 143 Y CA -0.966 57.092 58.100 -0.070 0.000 1.203 143 Y CB 0.144 38.551 38.460 -0.088 0.000 1.269 143 Y HN -0.141 nan 8.280 nan 0.000 0.586 144 K N 1.332 121.731 120.400 -0.003 0.000 3.129 144 K HA -0.208 4.033 4.320 -0.130 0.000 0.273 144 K C 1.242 177.893 176.600 0.085 0.000 1.123 144 K CA 0.713 57.027 56.287 0.046 0.000 0.800 144 K CB -1.637 30.925 32.500 0.102 0.000 1.238 144 K HN 1.090 nan 8.250 nan 0.000 0.492 145 G N 0.464 109.231 108.800 -0.056 0.000 2.660 145 G HA2 -0.379 3.502 3.960 -0.130 0.000 0.321 145 G HA3 -0.379 3.502 3.960 -0.130 0.000 0.321 145 G C 0.550 175.402 174.900 -0.080 0.000 1.246 145 G CA 0.798 45.807 45.100 -0.153 0.000 1.000 145 G HN 0.403 nan 8.290 nan 0.000 0.550 146 W N 0.959 122.255 121.300 -0.007 0.000 2.538 146 W HA 0.280 4.863 4.660 -0.129 0.000 0.254 146 W C 2.540 179.032 176.519 -0.045 0.000 1.249 146 W CA 0.584 57.826 57.345 -0.172 0.000 1.253 146 W CB -0.263 28.915 29.460 -0.471 0.000 1.130 146 W HN 0.290 nan 8.180 nan 0.000 0.618 147 L N -0.576 120.752 121.223 0.175 0.000 2.478 147 L HA 0.006 4.268 4.340 -0.130 0.000 0.223 147 L C 0.903 177.905 176.870 0.221 0.000 1.140 147 L CA 0.675 55.615 54.840 0.165 0.000 0.842 147 L CB -0.290 41.849 42.059 0.133 0.000 0.953 147 L HN -0.143 nan 8.230 nan 0.000 0.452 148 D N -0.738 119.704 120.400 0.070 0.000 2.248 148 D HA 0.076 4.638 4.640 -0.130 0.000 0.246 148 D C 0.614 176.552 176.300 -0.603 0.000 1.027 148 D CA -0.447 53.453 54.000 -0.167 0.000 0.853 148 D CB 2.291 42.938 40.800 -0.255 0.000 1.243 148 D HN -0.203 nan 8.370 nan 0.000 0.462 149 R N 2.050 122.191 120.500 -0.597 0.000 2.193 149 R HA -0.178 4.084 4.340 -0.130 0.000 0.229 149 R C 1.767 177.750 176.300 -0.528 0.000 1.110 149 R CA 1.606 57.286 56.100 -0.701 0.000 0.988 149 R CB -0.292 29.843 30.300 -0.276 0.000 0.871 149 R HN 0.363 nan 8.270 nan 0.000 0.458 150 Q N 0.274 119.709 119.800 -0.609 0.000 2.197 150 Q HA -0.141 4.121 4.340 -0.130 0.000 0.207 150 Q C 1.716 177.424 176.000 -0.487 0.000 0.984 150 Q CA 1.650 57.081 55.803 -0.620 0.000 0.869 150 Q CB -0.467 27.663 28.738 -1.012 0.000 0.906 150 Q HN 0.467 nan 8.270 nan 0.000 0.426 151 I N -0.800 119.451 120.570 -0.532 0.000 2.315 151 I HA -0.242 3.849 4.170 -0.130 0.000 0.251 151 I C 1.708 177.739 176.117 -0.144 0.000 1.125 151 I CA 0.894 62.008 61.300 -0.310 0.000 1.392 151 I CB -0.257 37.388 38.000 -0.591 0.000 1.065 151 I HN 0.086 nan 8.210 nan 0.000 0.424 152 V N 0.496 120.328 119.914 -0.137 0.000 2.233 152 V HA -0.318 3.724 4.120 -0.130 0.000 0.247 152 V C 2.223 178.356 176.094 0.066 0.000 1.050 152 V CA 2.324 64.640 62.300 0.026 0.000 1.010 152 V CB -0.854 30.967 31.823 -0.003 0.000 0.637 152 V HN 0.384 nan 8.190 nan 0.000 0.444 153 D N -0.237 120.156 120.400 -0.011 0.000 2.144 153 D HA -0.136 4.426 4.640 -0.130 0.000 0.200 153 D C 1.915 178.220 176.300 0.009 0.000 0.978 153 D CA 1.264 55.258 54.000 -0.009 0.000 0.833 153 D CB -0.326 40.448 40.800 -0.043 0.000 0.961 153 D HN 0.434 nan 8.370 nan 0.000 0.470 154 D N -0.429 120.000 120.400 0.048 0.000 2.144 154 D HA -0.113 4.449 4.640 -0.130 0.000 0.200 154 D C 1.741 178.160 176.300 0.197 0.000 0.978 154 D CA 0.321 54.402 54.000 0.135 0.000 0.833 154 D CB -0.414 40.520 40.800 0.224 0.000 0.961 154 D HN 0.175 nan 8.370 nan 0.000 0.470 155 F N 1.598 121.586 119.950 0.063 0.000 2.146 155 F HA -0.068 4.382 4.527 -0.129 0.000 0.298 155 F C 2.140 177.835 175.800 -0.174 0.000 1.096 155 F CA 1.319 59.245 58.000 -0.123 0.000 1.275 155 F CB -0.259 38.754 39.000 0.021 0.000 1.008 155 F HN -0.063 nan 8.300 nan 0.000 0.480 156 A N 0.376 123.121 122.820 -0.126 0.000 1.933 156 A HA -0.031 4.211 4.320 -0.130 0.000 0.218 156 A C 2.407 179.789 177.584 -0.336 0.000 1.175 156 A CA 1.686 53.582 52.037 -0.236 0.000 0.628 156 A CB -1.516 17.460 19.000 -0.040 0.000 0.814 156 A HN 0.486 nan 8.150 nan 0.000 0.444 157 A N -1.281 121.400 122.820 -0.231 0.000 1.930 157 A HA -0.057 4.184 4.320 -0.130 0.000 0.217 157 A C 2.131 179.551 177.584 -0.274 0.000 1.175 157 A CA 1.643 53.554 52.037 -0.210 0.000 0.627 157 A CB -0.788 18.120 19.000 -0.154 0.000 0.815 157 A HN 0.801 nan 8.150 nan 0.000 0.443 158 Y N 0.864 120.855 120.300 -0.515 0.000 2.145 158 Y HA -0.068 4.404 4.550 -0.131 0.000 0.286 158 Y C 2.553 178.017 175.900 -0.728 0.000 1.145 158 Y CA 1.155 58.924 58.100 -0.551 0.000 1.148 158 Y CB -0.880 36.933 38.460 -1.079 0.000 0.981 158 Y HN 0.283 nan 8.280 nan 0.000 0.507 159 A N 0.487 122.475 122.820 -1.386 0.000 1.917 159 A HA -0.293 3.949 4.320 -0.130 0.000 0.219 159 A C 2.294 178.855 177.584 -1.705 0.000 1.182 159 A CA 2.082 53.075 52.037 -1.739 0.000 0.633 159 A CB -1.102 16.950 19.000 -1.580 0.000 0.819 159 A HN 0.695 nan 8.150 nan 0.000 0.448 160 E N -0.898 118.722 120.200 -0.967 0.000 2.085 160 E HA -0.173 4.099 4.350 -0.130 0.000 0.194 160 E C 1.957 178.225 176.600 -0.553 0.000 0.994 160 E CA 1.701 57.750 56.400 -0.584 0.000 0.801 160 E CB -0.221 29.379 29.700 -0.167 0.000 0.743 160 E HN 0.549 nan 8.360 nan 0.000 0.453 161 T N -0.021 114.279 114.554 -0.422 0.000 2.759 161 T HA -0.186 4.086 4.350 -0.130 0.000 0.269 161 T C 1.933 176.362 174.700 -0.452 0.000 1.042 161 T CA 1.285 63.212 62.100 -0.289 0.000 1.140 161 T CB -0.402 68.444 68.868 -0.038 0.000 0.864 161 T HN 0.358 nan 8.240 nan 0.000 0.455 162 C N 0.772 119.697 119.300 -0.625 0.000 2.446 162 C HA 0.018 4.400 4.460 -0.130 0.000 0.277 162 C C 2.368 177.148 174.990 -0.349 0.000 1.275 162 C CA -0.059 58.709 59.018 -0.417 0.000 1.727 162 C CB -1.497 25.914 27.740 -0.548 0.000 2.010 162 C HN 0.462 nan 8.230 nan 0.000 0.486 163 F N 1.438 120.955 119.950 -0.722 0.000 2.069 163 F HA -0.138 4.310 4.527 -0.131 0.000 0.298 163 F C 2.567 178.045 175.800 -0.536 0.000 1.113 163 F CA 1.683 59.249 58.000 -0.722 0.000 1.214 163 F CB -1.303 37.047 39.000 -1.083 0.000 0.978 163 F HN 0.204 nan 8.300 nan 0.000 0.474 164 R N 0.401 120.625 120.500 -0.461 0.000 2.073 164 R HA -0.150 4.112 4.340 -0.130 0.000 0.234 164 R C 2.071 178.263 176.300 -0.181 0.000 1.134 164 R CA 1.702 57.669 56.100 -0.221 0.000 0.952 164 R CB -0.125 30.100 30.300 -0.126 0.000 0.850 164 R HN 0.177 nan 8.270 nan 0.000 0.433 165 E N -0.617 119.346 120.200 -0.396 0.000 2.158 165 E HA -0.103 4.168 4.350 -0.130 0.000 0.191 165 E C 1.411 177.721 176.600 -0.483 0.000 0.982 165 E CA 1.038 57.078 56.400 -0.599 0.000 0.823 165 E CB 0.121 29.157 29.700 -1.107 0.000 0.766 165 E HN 0.403 nan 8.360 nan 0.000 0.468 166 F N -0.915 119.130 119.950 0.159 0.000 2.746 166 F HA 0.328 4.777 4.527 -0.131 0.000 0.313 166 F C 2.085 178.036 175.800 0.252 0.000 1.095 166 F CA 0.078 58.202 58.000 0.206 0.000 1.224 166 F CB -0.230 38.926 39.000 0.260 0.000 1.060 166 F HN -0.037 nan 8.300 nan 0.000 0.584 167 G N 0.623 109.714 108.800 0.486 0.000 2.679 167 G HA2 -0.164 3.718 3.960 -0.130 0.000 0.212 167 G HA3 -0.164 3.718 3.960 -0.130 0.000 0.212 167 G C 1.306 176.377 174.900 0.285 0.000 1.137 167 G CA 0.900 46.320 45.100 0.534 0.000 0.787 167 G HN 0.419 nan 8.290 nan 0.000 0.534 168 D N 0.502 121.024 120.400 0.203 0.000 2.264 168 D HA -0.074 4.488 4.640 -0.130 0.000 0.208 168 D C 2.109 178.469 176.300 0.101 0.000 0.966 168 D CA 0.584 54.663 54.000 0.131 0.000 0.864 168 D CB -0.097 40.765 40.800 0.103 0.000 0.933 168 D HN 0.352 nan 8.370 nan 0.000 0.499 169 R N -0.295 120.271 120.500 0.111 0.000 2.310 169 R HA 0.236 4.498 4.340 -0.130 0.000 0.199 169 R C 0.197 176.484 176.300 -0.022 0.000 0.891 169 R CA -0.081 56.052 56.100 0.055 0.000 1.060 169 R CB 1.197 31.542 30.300 0.074 0.000 1.188 169 R HN -0.055 nan 8.270 nan 0.000 0.607 170 V N 2.876 122.754 119.914 -0.061 0.000 2.432 170 V HA 0.117 4.159 4.120 -0.130 0.000 0.271 170 V C 0.484 176.326 176.094 -0.420 0.000 1.046 170 V CA 0.222 62.295 62.300 -0.378 0.000 0.945 170 V CB 1.477 32.830 31.823 -0.782 0.000 0.992 170 V HN 0.156 nan 8.190 nan 0.000 0.471 171 K N 2.839 122.930 120.400 -0.514 0.000 2.402 171 K HA 0.264 4.505 4.320 -0.130 0.000 0.204 171 K C -0.240 175.802 176.600 -0.929 0.000 1.056 171 K CA 0.047 56.013 56.287 -0.535 0.000 1.069 171 K CB 0.535 32.751 32.500 -0.474 0.000 0.888 171 K HN 0.776 nan 8.250 nan 0.000 0.546 172 H N -0.894 117.720 119.070 -0.761 0.000 2.906 172 H HA 0.319 4.797 4.556 -0.131 0.000 0.324 172 H C -1.368 173.551 175.328 -0.682 0.000 0.973 172 H CA -0.501 55.116 56.048 -0.719 0.000 1.321 172 H CB 0.682 29.596 29.762 -1.413 0.000 1.535 172 H HN -0.051 nan 8.280 nan 0.000 0.518 173 W N 3.668 124.905 121.300 -0.105 0.000 2.666 173 W HA 0.603 5.184 4.660 -0.131 0.000 0.334 173 W C -0.684 175.811 176.519 -0.040 0.000 1.051 173 W CA -0.734 56.535 57.345 -0.126 0.000 1.224 173 W CB 1.431 30.781 29.460 -0.183 0.000 1.405 173 W HN 0.356 nan 8.180 nan 0.000 0.513 174 I N 2.692 123.361 120.570 0.165 0.000 2.382 174 I HA 0.135 4.226 4.170 -0.130 0.000 0.285 174 I C 1.341 177.494 176.117 0.060 0.000 1.007 174 I CA -0.216 61.102 61.300 0.029 0.000 1.142 174 I CB 1.796 39.771 38.000 -0.041 0.000 1.289 174 I HN 0.637 nan 8.210 nan 0.000 0.453 175 T N 4.629 119.220 114.554 0.061 0.000 2.701 175 T HA 0.080 4.352 4.350 -0.130 0.000 0.263 175 T C 0.609 175.434 174.700 0.207 0.000 1.040 175 T CA 0.879 63.117 62.100 0.230 0.000 1.147 175 T CB -0.071 69.022 68.868 0.373 0.000 0.865 175 T HN 0.308 nan 8.240 nan 0.000 0.426 176 L N 1.379 122.573 121.223 -0.049 0.000 2.381 176 L HA 0.486 4.748 4.340 -0.130 0.000 0.268 176 L C -0.427 176.257 176.870 -0.310 0.000 0.997 176 L CA -0.954 53.795 54.840 -0.152 0.000 0.818 176 L CB 2.024 43.842 42.059 -0.401 0.000 1.310 176 L HN 0.208 nan 8.230 nan 0.000 0.416 177 N N 2.977 121.505 118.700 -0.287 0.000 2.437 177 N HA 0.113 4.774 4.740 -0.130 0.000 0.259 177 N C -0.685 174.634 175.510 -0.318 0.000 0.983 177 N CA -0.163 52.627 53.050 -0.434 0.000 0.937 177 N CB 0.860 38.832 38.487 -0.857 0.000 1.122 177 N HN 0.716 nan 8.380 nan 0.000 0.499 178 E N 1.781 121.765 120.200 -0.361 0.000 2.222 178 E HA -0.154 4.118 4.350 -0.130 0.000 0.189 178 E C -1.750 174.559 176.600 -0.485 0.000 1.415 178 E CA -0.183 56.054 56.400 -0.271 0.000 0.689 178 E CB -0.477 29.207 29.700 -0.027 0.000 1.107 178 E HN 0.641 nan 8.360 nan 0.000 0.350 179 P HA -0.237 nan 4.420 nan 0.000 0.218 179 P C 1.180 178.012 177.300 -0.780 0.000 1.148 179 P CA 1.735 64.023 63.100 -1.354 0.000 0.822 179 P CB 0.057 30.688 31.700 -1.782 0.000 0.784 180 H N 0.085 118.748 119.070 -0.679 0.000 2.321 180 H HA -0.081 4.396 4.556 -0.131 0.000 0.300 180 H C 1.691 176.964 175.328 -0.092 0.000 1.087 180 H CA 2.667 58.658 56.048 -0.093 0.000 1.319 180 H CB -0.687 29.212 29.762 0.230 0.000 1.379 180 H HN -0.078 nan 8.280 nan 0.000 0.501 181 T N 0.204 114.653 114.554 -0.174 0.000 2.684 181 T HA -0.175 4.097 4.350 -0.130 0.000 0.267 181 T C 2.214 176.635 174.700 -0.464 0.000 1.036 181 T CA 1.625 63.545 62.100 -0.300 0.000 1.148 181 T CB -0.565 68.170 68.868 -0.222 0.000 0.863 181 T HN 0.171 nan 8.240 nan 0.000 0.436 182 V N 1.874 121.451 119.914 -0.562 0.000 2.255 182 V HA -0.217 3.824 4.120 -0.130 0.000 0.247 182 V C 2.928 178.955 176.094 -0.112 0.000 1.051 182 V CA 1.830 63.842 62.300 -0.480 0.000 1.018 182 V CB -1.343 30.250 31.823 -0.382 0.000 0.641 182 V HN 0.556 nan 8.190 nan 0.000 0.445 183 A N -0.088 122.694 122.820 -0.064 0.000 1.908 183 A HA -0.167 4.075 4.320 -0.130 0.000 0.218 183 A C 2.123 179.737 177.584 0.051 0.000 1.181 183 A CA 2.038 54.093 52.037 0.030 0.000 0.627 183 A CB -0.425 18.548 19.000 -0.045 0.000 0.818 183 A HN 0.439 nan 8.150 nan 0.000 0.445 184 I N -0.817 119.697 120.570 -0.095 0.000 2.385 184 I HA -0.087 4.005 4.170 -0.130 0.000 0.244 184 I C 2.426 178.483 176.117 -0.100 0.000 1.089 184 I CA 0.909 62.155 61.300 -0.091 0.000 1.410 184 I CB -1.624 36.255 38.000 -0.200 0.000 1.117 184 I HN 0.313 nan 8.210 nan 0.000 0.429 185 Q N 0.763 120.448 119.800 -0.192 0.000 2.167 185 Q HA -0.019 4.243 4.340 -0.130 0.000 0.202 185 Q C 2.228 178.079 176.000 -0.248 0.000 0.970 185 Q CA 1.515 57.188 55.803 -0.216 0.000 0.855 185 Q CB -0.575 27.986 28.738 -0.294 0.000 0.911 185 Q HN 0.558 nan 8.270 nan 0.000 0.438 186 G N -1.642 106.997 108.800 -0.269 0.000 2.494 186 G HA2 -0.108 3.774 3.960 -0.130 0.000 0.216 186 G HA3 -0.108 3.774 3.960 -0.130 0.000 0.216 186 G C 0.626 175.149 174.900 -0.629 0.000 1.140 186 G CA 0.234 45.054 45.100 -0.467 0.000 0.801 186 G HN 0.334 nan 8.290 nan 0.000 0.536 187 Y N -1.665 118.569 120.300 -0.111 0.000 2.476 187 Y HA 0.254 4.726 4.550 -0.131 0.000 0.261 187 Y C 1.607 177.485 175.900 -0.036 0.000 1.077 187 Y CA -0.137 57.928 58.100 -0.059 0.000 1.240 187 Y CB 0.831 39.261 38.460 -0.050 0.000 1.317 187 Y HN 0.136 nan 8.280 nan 0.000 0.540 188 D N 0.109 120.556 120.400 0.078 0.000 2.840 188 D HA 0.124 4.686 4.640 -0.130 0.000 0.277 188 D C 2.092 178.448 176.300 0.093 0.000 1.066 188 D CA 1.258 55.300 54.000 0.069 0.000 0.979 188 D CB 0.094 40.916 40.800 0.036 0.000 1.157 188 D HN 0.064 nan 8.370 nan 0.000 0.466 189 A N -0.162 122.673 122.820 0.025 0.000 2.072 189 A HA 0.371 4.613 4.320 -0.130 0.000 0.216 189 A C 1.790 179.357 177.584 -0.028 0.000 1.156 189 A CA 1.364 53.365 52.037 -0.060 0.000 0.701 189 A CB -0.671 18.275 19.000 -0.091 0.000 0.816 189 A HN 0.568 nan 8.150 nan 0.000 0.458 190 G N -0.885 107.909 108.800 -0.010 0.000 2.225 190 G HA2 -0.258 3.624 3.960 -0.130 0.000 0.267 190 G HA3 -0.258 3.624 3.960 -0.130 0.000 0.267 190 G C 0.577 175.538 174.900 0.101 0.000 1.024 190 G CA 0.661 45.783 45.100 0.036 0.000 0.784 190 G HN 0.494 nan 8.290 nan 0.000 0.507 191 L N -1.391 119.820 121.223 -0.019 0.000 2.529 191 L HA 0.292 4.554 4.340 -0.130 0.000 0.223 191 L C 1.481 178.360 176.870 0.014 0.000 1.113 191 L CA 0.562 55.398 54.840 -0.006 0.000 0.861 191 L CB 0.163 42.184 42.059 -0.063 0.000 1.012 191 L HN 0.390 nan 8.230 nan 0.000 0.461 192 Q N -0.691 118.927 119.800 -0.304 0.000 2.484 192 Q HA 0.610 4.872 4.340 -0.130 0.000 0.285 192 Q C -0.523 174.625 176.000 -1.419 0.000 1.097 192 Q CA -0.817 54.559 55.803 -0.711 0.000 0.802 192 Q CB 2.521 31.033 28.738 -0.377 0.000 1.444 192 Q HN 0.131 nan 8.270 nan 0.000 0.429 193 A N 1.996 123.484 122.820 -2.220 0.000 2.531 193 A HA 0.173 4.414 4.320 -0.130 0.000 0.236 193 A C -1.735 175.307 177.584 -0.903 0.000 1.062 193 A CA -0.652 50.299 52.037 -1.810 0.000 0.760 193 A CB -0.216 17.602 19.000 -1.969 0.000 0.995 193 A HN 0.520 nan 8.150 nan 0.000 0.501 194 P HA 0.134 nan 4.420 nan 0.000 0.257 194 P C 0.682 177.779 177.300 -0.338 0.000 1.281 194 P CA 0.893 63.707 63.100 -0.477 0.000 0.826 194 P CB 0.061 31.586 31.700 -0.291 0.000 1.237 195 G N 0.844 109.376 108.800 -0.446 0.000 2.248 195 G HA2 -0.246 3.635 3.960 -0.130 0.000 0.263 195 G HA3 -0.246 3.635 3.960 -0.130 0.000 0.263 195 G C -0.180 174.674 174.900 -0.075 0.000 1.082 195 G CA -0.478 44.569 45.100 -0.089 0.000 0.863 195 G HN 0.359 nan 8.290 nan 0.000 0.495 196 R N -0.713 119.642 120.500 -0.242 0.000 2.474 196 R HA 0.802 5.064 4.340 -0.130 0.000 0.295 196 R C 0.589 176.852 176.300 -0.060 0.000 0.980 196 R CA 0.149 56.164 56.100 -0.141 0.000 0.934 196 R CB 1.542 31.732 30.300 -0.183 0.000 1.101 196 R HN 0.969 nan 8.270 nan 0.000 0.469 197 c N -1.443 117.157 118.600 -0.001 0.000 3.259 197 c HA 0.397 4.888 4.570 -0.130 0.000 0.344 197 c C -0.494 173.603 174.090 0.011 0.000 1.401 197 c CA -1.078 55.271 56.329 0.033 0.000 1.219 197 c CB 1.295 43.853 42.510 0.080 0.000 1.521 197 c HN 0.704 nan 8.230 nan 0.000 0.455 198 S N 0.840 116.543 115.700 0.004 0.000 2.466 198 S HA 0.156 4.548 4.470 -0.130 0.000 0.286 198 S C 1.034 175.586 174.600 -0.079 0.000 1.221 198 S CA 0.299 58.479 58.200 -0.035 0.000 1.091 198 S CB 1.217 64.389 63.200 -0.048 0.000 0.956 198 S HN 1.145 nan 8.310 nan 0.000 0.501 199 V N 6.138 126.011 119.914 -0.068 0.000 2.469 199 V HA -0.163 3.879 4.120 -0.130 0.000 0.251 199 V C 1.693 177.722 176.094 -0.109 0.000 1.064 199 V CA 1.788 64.035 62.300 -0.090 0.000 1.066 199 V CB -0.481 31.311 31.823 -0.052 0.000 0.667 199 V HN 0.886 nan 8.190 nan 0.000 0.461 200 L N -1.034 120.131 121.223 -0.097 0.000 2.191 200 L HA -0.177 4.084 4.340 -0.130 0.000 0.212 200 L C 2.271 179.042 176.870 -0.164 0.000 1.103 200 L CA 1.403 56.181 54.840 -0.103 0.000 0.769 200 L CB -0.482 41.530 42.059 -0.079 0.000 0.908 200 L HN 0.345 nan 8.230 nan 0.000 0.438 201 L N -1.779 119.296 121.223 -0.246 0.000 2.168 201 L HA 0.022 4.284 4.340 -0.130 0.000 0.203 201 L C 0.168 176.626 176.870 -0.687 0.000 1.078 201 L CA 0.465 55.025 54.840 -0.467 0.000 0.780 201 L CB 0.052 41.774 42.059 -0.561 0.000 0.939 201 L HN 0.267 nan 8.230 nan 0.000 0.451 202 H N -1.182 117.737 119.070 -0.251 0.000 3.013 202 H HA 0.247 4.724 4.556 -0.131 0.000 0.326 202 H C 0.309 175.319 175.328 -0.530 0.000 0.973 202 H CA -0.446 55.299 56.048 -0.506 0.000 1.369 202 H CB 1.387 30.621 29.762 -0.881 0.000 1.598 202 H HN -0.086 nan 8.280 nan 0.000 0.518 203 L N 1.986 123.075 121.223 -0.225 0.000 2.275 203 L HA -0.173 4.089 4.340 -0.130 0.000 0.215 203 L C 1.612 178.449 176.870 -0.055 0.000 1.119 203 L CA 1.103 55.883 54.840 -0.099 0.000 0.790 203 L CB -0.361 41.697 42.059 -0.001 0.000 0.919 203 L HN 0.751 nan 8.230 nan 0.000 0.443 204 Y N -2.265 118.078 120.300 0.071 0.000 2.509 204 Y HA 0.041 4.513 4.550 -0.131 0.000 0.293 204 Y C 1.418 177.338 175.900 0.033 0.000 1.133 204 Y CA -1.107 57.018 58.100 0.042 0.000 1.283 204 Y CB -1.395 37.071 38.460 0.011 0.000 1.001 204 Y HN 0.008 nan 8.280 nan 0.000 0.555 205 c N 2.427 121.007 118.600 -0.034 0.000 2.539 205 c HA 0.141 4.633 4.570 -0.130 0.000 0.392 205 c C 1.935 176.044 174.090 0.030 0.000 1.269 205 c CA -0.641 55.711 56.329 0.038 0.000 2.250 205 c CB 1.112 43.599 42.510 -0.037 0.000 2.584 205 c HN 0.593 nan 8.230 nan 0.000 0.589 206 K N 0.749 121.174 120.400 0.043 0.000 2.211 206 K HA 0.332 4.573 4.320 -0.130 0.000 0.201 206 K C 0.461 177.072 176.600 0.018 0.000 1.052 206 K CA 1.000 57.307 56.287 0.032 0.000 0.973 206 K CB 0.175 32.698 32.500 0.037 0.000 0.766 206 K HN 0.872 nan 8.250 nan 0.000 0.466 207 A N -0.877 121.951 122.820 0.014 0.000 2.586 207 A HA 0.613 4.855 4.320 -0.130 0.000 0.291 207 A C -0.660 176.933 177.584 0.015 0.000 1.062 207 A CA -0.311 51.734 52.037 0.014 0.000 0.666 207 A CB 0.965 19.977 19.000 0.019 0.000 1.281 207 A HN 0.341 nan 8.150 nan 0.000 0.421 208 G N -0.056 108.761 108.800 0.028 0.000 2.347 208 G HA2 0.455 4.337 3.960 -0.130 0.000 0.341 208 G HA3 0.455 4.337 3.960 -0.130 0.000 0.341 208 G C -1.686 173.241 174.900 0.044 0.000 1.287 208 G CA -0.045 45.084 45.100 0.049 0.000 0.984 208 G HN 1.814 nan 8.290 nan 0.000 0.526 209 N N -0.627 118.111 118.700 0.063 0.000 2.655 209 N HA 0.365 5.026 4.740 -0.130 0.000 0.277 209 N C 0.767 176.314 175.510 0.061 0.000 1.177 209 N CA 0.174 53.253 53.050 0.047 0.000 0.882 209 N CB 1.570 40.083 38.487 0.045 0.000 1.481 209 N HN 0.418 nan 8.380 nan 0.000 0.547 210 S N 0.976 116.703 115.700 0.045 0.000 2.474 210 S HA -0.011 4.381 4.470 -0.130 0.000 0.235 210 S C 1.595 176.220 174.600 0.043 0.000 0.997 210 S CA 1.229 59.457 58.200 0.047 0.000 0.949 210 S CB 0.141 63.363 63.200 0.037 0.000 0.766 210 S HN 0.693 nan 8.310 nan 0.000 0.517 211 G N 0.910 109.744 108.800 0.057 0.000 2.744 211 G HA2 0.013 3.895 3.960 -0.130 0.000 0.211 211 G HA3 0.013 3.895 3.960 -0.130 0.000 0.211 211 G C 1.343 176.350 174.900 0.177 0.000 1.146 211 G CA 1.077 46.236 45.100 0.099 0.000 0.787 211 G HN 0.620 nan 8.290 nan 0.000 0.534 212 T N -2.862 111.769 114.554 0.128 0.000 3.075 212 T HA 0.181 4.453 4.350 -0.130 0.000 0.251 212 T C 1.762 176.529 174.700 0.111 0.000 0.979 212 T CA 0.453 62.641 62.100 0.147 0.000 1.033 212 T CB 0.065 68.974 68.868 0.069 0.000 1.104 212 T HN 0.192 nan 8.240 nan 0.000 0.473 213 E N 2.342 122.579 120.200 0.062 0.000 2.110 213 E HA -0.034 4.238 4.350 -0.130 0.000 0.193 213 E C -0.749 175.794 176.600 -0.096 0.000 0.988 213 E CA 1.337 57.745 56.400 0.013 0.000 0.804 213 E CB -1.072 28.707 29.700 0.131 0.000 0.745 213 E HN 0.456 nan 8.360 nan 0.000 0.458 214 P HA -0.165 nan 4.420 nan 0.000 0.218 214 P C 0.716 177.970 177.300 -0.077 0.000 1.148 214 P CA 1.224 64.246 63.100 -0.131 0.000 0.822 214 P CB -0.075 31.510 31.700 -0.191 0.000 0.784 215 Y N -1.401 118.993 120.300 0.156 0.000 2.337 215 Y HA -0.092 4.378 4.550 -0.133 0.000 0.293 215 Y C 2.358 178.256 175.900 -0.004 0.000 1.123 215 Y CA 0.586 58.779 58.100 0.155 0.000 1.201 215 Y CB -1.445 36.986 38.460 -0.047 0.000 1.011 215 Y HN -0.243 nan 8.280 nan 0.000 0.545 216 V N -1.038 118.881 119.914 0.008 0.000 2.270 216 V HA -0.251 3.791 4.120 -0.130 0.000 0.245 216 V C 2.268 178.175 176.094 -0.311 0.000 1.043 216 V CA 1.600 63.784 62.300 -0.194 0.000 1.014 216 V CB -0.922 30.801 31.823 -0.167 0.000 0.645 216 V HN 0.206 nan 8.190 nan 0.000 0.447 217 V N 0.464 120.209 119.914 -0.281 0.000 2.252 217 V HA -0.320 3.722 4.120 -0.130 0.000 0.249 217 V C 2.743 178.719 176.094 -0.196 0.000 1.056 217 V CA 2.289 64.373 62.300 -0.360 0.000 1.022 217 V CB -1.250 30.168 31.823 -0.674 0.000 0.641 217 V HN 0.572 nan 8.190 nan 0.000 0.445 218 A N -1.366 121.438 122.820 -0.026 0.000 1.908 218 A HA -0.302 3.940 4.320 -0.130 0.000 0.218 218 A C 2.230 179.937 177.584 0.206 0.000 1.181 218 A CA 2.082 54.176 52.037 0.095 0.000 0.627 218 A CB -0.944 17.748 19.000 -0.513 0.000 0.818 218 A HN 0.721 nan 8.150 nan 0.000 0.445 219 H N -1.190 117.903 119.070 0.039 0.000 2.319 219 H HA -0.185 4.292 4.556 -0.131 0.000 0.299 219 H C 2.055 177.471 175.328 0.147 0.000 1.092 219 H CA 2.197 58.285 56.048 0.065 0.000 1.302 219 H CB -0.099 29.587 29.762 -0.126 0.000 1.373 219 H HN 0.795 nan 8.280 nan 0.000 0.497 220 H N -1.106 118.040 119.070 0.127 0.000 2.387 220 H HA -0.113 4.365 4.556 -0.129 0.000 0.299 220 H C 2.316 177.740 175.328 0.160 0.000 1.090 220 H CA 0.898 57.004 56.048 0.097 0.000 1.332 220 H CB -0.105 29.713 29.762 0.094 0.000 1.386 220 H HN 0.296 nan 8.280 nan 0.000 0.516 221 F N 0.705 120.760 119.950 0.175 0.000 2.065 221 F HA -0.261 4.187 4.527 -0.131 0.000 0.298 221 F C 2.386 178.267 175.800 0.136 0.000 1.112 221 F CA 0.948 58.914 58.000 -0.056 0.000 1.212 221 F CB -0.189 38.666 39.000 -0.241 0.000 0.975 221 F HN 0.081 nan 8.300 nan 0.000 0.476 222 I N -0.012 120.811 120.570 0.421 0.000 2.179 222 I HA -0.338 3.754 4.170 -0.130 0.000 0.242 222 I C 2.237 178.546 176.117 0.320 0.000 1.088 222 I CA 1.330 62.842 61.300 0.354 0.000 1.357 222 I CB -0.567 37.507 38.000 0.123 0.000 1.051 222 I HN 0.134 nan 8.210 nan 0.000 0.409 223 L N 0.441 121.795 121.223 0.218 0.000 2.083 223 L HA -0.217 4.045 4.340 -0.130 0.000 0.209 223 L C 2.850 179.861 176.870 0.234 0.000 1.083 223 L CA 1.311 56.266 54.840 0.191 0.000 0.752 223 L CB -0.809 41.324 42.059 0.124 0.000 0.899 223 L HN 0.262 nan 8.230 nan 0.000 0.433 224 A N -0.806 122.186 122.820 0.286 0.000 1.877 224 A HA -0.279 3.963 4.320 -0.130 0.000 0.216 224 A C 2.315 180.113 177.584 0.356 0.000 1.186 224 A CA 1.736 53.968 52.037 0.325 0.000 0.620 224 A CB -0.969 18.219 19.000 0.313 0.000 0.822 224 A HN 0.511 nan 8.150 nan 0.000 0.443 225 H N 0.245 119.464 119.070 0.248 0.000 2.289 225 H HA -0.163 4.315 4.556 -0.129 0.000 0.296 225 H C 2.317 177.765 175.328 0.200 0.000 1.091 225 H CA 2.131 58.308 56.048 0.216 0.000 1.274 225 H CB -0.366 29.468 29.762 0.121 0.000 1.364 225 H HN 0.390 nan 8.280 nan 0.000 0.490 226 A N 1.222 124.187 122.820 0.242 0.000 1.917 226 A HA -0.180 4.061 4.320 -0.130 0.000 0.219 226 A C 2.747 180.355 177.584 0.041 0.000 1.182 226 A CA 2.294 54.419 52.037 0.146 0.000 0.633 226 A CB -1.143 17.974 19.000 0.195 0.000 0.819 226 A HN 0.634 nan 8.150 nan 0.000 0.448 227 A N -0.345 122.527 122.820 0.086 0.000 1.873 227 A HA 0.204 4.445 4.320 -0.130 0.000 0.215 227 A C 2.541 180.148 177.584 0.040 0.000 1.186 227 A CA 2.064 54.143 52.037 0.070 0.000 0.616 227 A CB -1.090 17.972 19.000 0.103 0.000 0.823 227 A HN 1.101 nan 8.150 nan 0.000 0.442 228 A N -0.036 122.809 122.820 0.042 0.000 1.883 228 A HA 0.119 4.360 4.320 -0.130 0.000 0.217 228 A C 2.512 180.109 177.584 0.022 0.000 1.186 228 A CA 2.262 54.302 52.037 0.005 0.000 0.624 228 A CB -1.075 17.908 19.000 -0.029 0.000 0.822 228 A HN 1.098 nan 8.150 nan 0.000 0.444 229 A N -1.026 121.692 122.820 -0.169 0.000 1.933 229 A HA -0.089 4.152 4.320 -0.130 0.000 0.218 229 A C 2.461 180.028 177.584 -0.027 0.000 1.175 229 A CA 2.123 54.062 52.037 -0.164 0.000 0.628 229 A CB -0.887 17.931 19.000 -0.303 0.000 0.814 229 A HN 0.541 nan 8.150 nan 0.000 0.444 230 S N -0.492 115.199 115.700 -0.014 0.000 2.368 230 S HA -0.106 4.286 4.470 -0.130 0.000 0.225 230 S C 1.898 176.508 174.600 0.017 0.000 1.030 230 S CA 1.367 59.568 58.200 0.002 0.000 0.999 230 S CB -0.480 62.725 63.200 0.008 0.000 0.844 230 S HN 0.503 nan 8.310 nan 0.000 0.459 231 I N -0.016 120.592 120.570 0.064 0.000 2.179 231 I HA -0.160 3.932 4.170 -0.130 0.000 0.242 231 I C 2.242 178.443 176.117 0.141 0.000 1.088 231 I CA 1.622 62.994 61.300 0.120 0.000 1.357 231 I CB -0.528 37.585 38.000 0.189 0.000 1.051 231 I HN 0.374 nan 8.210 nan 0.000 0.409 232 Y N 1.984 122.241 120.300 -0.070 0.000 2.097 232 Y HA -0.286 4.186 4.550 -0.130 0.000 0.282 232 Y C 2.779 178.563 175.900 -0.193 0.000 1.152 232 Y CA 1.714 59.602 58.100 -0.353 0.000 1.136 232 Y CB -0.328 37.646 38.460 -0.811 0.000 0.975 232 Y HN -0.023 nan 8.280 nan 0.000 0.498 233 R N -0.911 119.508 120.500 -0.136 0.000 2.081 233 R HA -0.152 4.110 4.340 -0.130 0.000 0.235 233 R C 2.335 178.518 176.300 -0.195 0.000 1.131 233 R CA 2.071 58.068 56.100 -0.173 0.000 0.960 233 R CB -0.793 29.468 30.300 -0.064 0.000 0.856 233 R HN 0.561 nan 8.270 nan 0.000 0.436 234 T N -1.523 112.941 114.554 -0.150 0.000 2.896 234 T HA -0.001 4.270 4.350 -0.130 0.000 0.263 234 T C 1.678 176.238 174.700 -0.233 0.000 1.050 234 T CA 0.799 62.809 62.100 -0.149 0.000 1.140 234 T CB 0.147 68.958 68.868 -0.095 0.000 0.877 234 T HN 0.167 nan 8.240 nan 0.000 0.457 235 K N -1.226 118.980 120.400 -0.323 0.000 2.399 235 K HA 0.292 4.534 4.320 -0.130 0.000 0.196 235 K C 0.898 176.947 176.600 -0.919 0.000 1.103 235 K CA 0.108 56.029 56.287 -0.609 0.000 0.986 235 K CB 0.619 32.676 32.500 -0.738 0.000 0.952 235 K HN 0.360 nan 8.250 nan 0.000 0.541 236 Y N 0.021 120.082 120.300 -0.398 0.000 2.512 236 Y HA 0.204 4.675 4.550 -0.131 0.000 0.268 236 Y C 1.906 177.414 175.900 -0.653 0.000 1.102 236 Y CA -0.208 57.605 58.100 -0.479 0.000 1.261 236 Y CB 0.414 38.585 38.460 -0.483 0.000 1.250 236 Y HN -0.199 nan 8.280 nan 0.000 0.506 237 K N 1.189 121.115 120.400 -0.789 0.000 2.057 237 K HA -0.087 4.155 4.320 -0.130 0.000 0.206 237 K C 2.204 178.624 176.600 -0.299 0.000 1.050 237 K CA 1.190 57.040 56.287 -0.728 0.000 0.935 237 K CB -0.180 31.925 32.500 -0.659 0.000 0.715 237 K HN 0.226 nan 8.250 nan 0.000 0.439 238 A N 0.779 123.453 122.820 -0.243 0.000 1.883 238 A HA -0.205 4.037 4.320 -0.130 0.000 0.217 238 A C 2.222 179.740 177.584 -0.110 0.000 1.186 238 A CA 2.585 54.535 52.037 -0.145 0.000 0.624 238 A CB -1.214 17.705 19.000 -0.135 0.000 0.822 238 A HN 0.649 nan 8.150 nan 0.000 0.444 239 T N -3.142 111.340 114.554 -0.120 0.000 2.937 239 T HA -0.030 4.242 4.350 -0.130 0.000 0.260 239 T C 1.844 176.526 174.700 -0.030 0.000 1.051 239 T CA 1.216 63.277 62.100 -0.066 0.000 1.141 239 T CB -0.268 68.565 68.868 -0.058 0.000 0.879 239 T HN 0.564 nan 8.240 nan 0.000 0.459 240 Q N 0.735 120.518 119.800 -0.028 0.000 2.269 240 Q HA 0.146 4.407 4.340 -0.130 0.000 0.201 240 Q C 0.612 176.630 176.000 0.031 0.000 0.946 240 Q CA 0.322 56.148 55.803 0.038 0.000 0.877 240 Q CB -0.071 28.741 28.738 0.124 0.000 0.963 240 Q HN 0.552 nan 8.270 nan 0.000 0.472 241 N N -0.298 118.398 118.700 -0.006 0.000 2.754 241 N HA -0.139 4.523 4.740 -0.130 0.000 0.248 241 N C -0.637 174.890 175.510 0.028 0.000 1.093 241 N CA 0.773 53.826 53.050 0.005 0.000 0.699 241 N CB -0.958 37.528 38.487 -0.001 0.000 1.016 241 N HN 0.389 nan 8.380 nan 0.000 0.552 242 G N -0.833 108.042 108.800 0.126 0.000 2.753 242 G HA2 0.694 4.575 3.960 -0.130 0.000 0.285 242 G HA3 0.694 4.575 3.960 -0.130 0.000 0.285 242 G C -0.682 174.327 174.900 0.182 0.000 1.344 242 G CA -0.219 44.938 45.100 0.094 0.000 1.050 242 G HN 0.462 nan 8.290 nan 0.000 0.532 243 Q N -1.615 118.229 119.800 0.073 0.000 2.421 243 Q HA 0.727 4.988 4.340 -0.130 0.000 0.280 243 Q C -2.038 174.042 176.000 0.132 0.000 1.085 243 Q CA -0.928 54.975 55.803 0.167 0.000 0.807 243 Q CB 2.353 31.247 28.738 0.259 0.000 1.405 243 Q HN 0.306 nan 8.270 nan 0.000 0.419 244 L N 0.909 122.140 121.223 0.013 0.000 2.365 244 L HA 0.903 5.165 4.340 -0.130 0.000 0.273 244 L C -0.077 176.483 176.870 -0.516 0.000 1.000 244 L CA 0.145 54.888 54.840 -0.162 0.000 0.819 244 L CB 2.112 44.030 42.059 -0.234 0.000 1.284 244 L HN 0.960 nan 8.230 nan 0.000 0.418 245 G N 2.937 111.212 108.800 -0.874 0.000 2.870 245 G HA2 0.770 4.652 3.960 -0.130 0.000 0.299 245 G HA3 0.770 4.652 3.960 -0.130 0.000 0.299 245 G C -1.516 172.891 174.900 -0.822 0.000 1.324 245 G CA -0.410 43.832 45.100 -1.429 0.000 0.808 245 G HN 0.411 nan 8.290 nan 0.000 0.535 246 I N -0.183 119.882 120.570 -0.841 0.000 2.894 246 I HA 0.581 4.673 4.170 -0.130 0.000 0.302 246 I C -0.392 175.285 176.117 -0.733 0.000 1.188 246 I CA -1.177 59.627 61.300 -0.827 0.000 1.014 246 I CB 2.527 39.755 38.000 -1.286 0.000 1.242 246 I HN 0.642 nan 8.210 nan 0.000 0.430 247 A N 5.069 127.519 122.820 -0.617 0.000 2.256 247 A HA 0.722 4.964 4.320 -0.130 0.000 0.317 247 A C -1.163 176.133 177.584 -0.481 0.000 1.318 247 A CA -0.197 51.596 52.037 -0.407 0.000 0.894 247 A CB -0.087 18.759 19.000 -0.256 0.000 1.165 247 A HN 0.426 nan 8.150 nan 0.000 0.525 248 F N 2.526 122.416 119.950 -0.100 0.000 2.408 248 F HA 0.258 4.709 4.527 -0.126 0.000 0.344 248 F C 0.741 176.526 175.800 -0.024 0.000 1.112 248 F CA -0.898 57.045 58.000 -0.095 0.000 1.096 248 F CB 1.290 40.280 39.000 -0.017 0.000 1.129 248 F HN 0.652 nan 8.300 nan 0.000 0.486 249 D N 2.490 122.981 120.400 0.151 0.000 2.348 249 D HA 0.280 4.841 4.640 -0.130 0.000 0.253 249 D C -0.766 175.615 176.300 0.136 0.000 1.161 249 D CA -0.032 54.050 54.000 0.136 0.000 0.876 249 D CB 1.661 42.520 40.800 0.098 0.000 1.160 249 D HN 0.233 nan 8.370 nan 0.000 0.459 250 V N 3.425 123.438 119.914 0.166 0.000 2.509 250 V HA 0.161 4.203 4.120 -0.130 0.000 0.289 250 V C 0.234 176.425 176.094 0.161 0.000 1.026 250 V CA -0.734 61.648 62.300 0.137 0.000 0.872 250 V CB 1.404 33.347 31.823 0.200 0.000 1.017 250 V HN 0.591 nan 8.190 nan 0.000 0.436 251 M N 4.117 123.661 119.600 -0.094 0.000 2.235 251 M HA 0.307 4.709 4.480 -0.130 0.000 0.351 251 M C -0.152 175.914 176.300 -0.390 0.000 1.178 251 M CA -0.006 55.139 55.300 -0.257 0.000 1.143 251 M CB 1.280 33.487 32.600 -0.655 0.000 1.530 251 M HN 0.755 nan 8.290 nan 0.000 0.461 252 W N 3.407 124.553 121.300 -0.257 0.000 2.251 252 W HA 0.335 4.927 4.660 -0.114 0.000 0.329 252 W C -2.016 174.206 176.519 -0.495 0.000 1.234 252 W CA -0.385 56.778 57.345 -0.304 0.000 1.228 252 W CB 0.709 30.138 29.460 -0.052 0.000 1.135 252 W HN 0.401 nan 8.180 nan 0.000 0.576 253 F N 3.524 122.852 119.950 -1.037 0.000 2.449 253 F HA 0.277 4.733 4.527 -0.119 0.000 0.342 253 F C 0.144 175.430 175.800 -0.857 0.000 1.127 253 F CA -0.890 56.688 58.000 -0.703 0.000 0.975 253 F CB 1.416 40.137 39.000 -0.464 0.000 1.146 253 F HN 0.193 nan 8.300 nan 0.000 0.444 254 E N 4.691 124.788 120.200 -0.171 0.000 2.214 254 E HA 0.358 4.630 4.350 -0.130 0.000 0.274 254 E C -2.457 174.224 176.600 0.134 0.000 0.977 254 E CA -2.239 54.165 56.400 0.006 0.000 0.827 254 E CB 1.567 31.336 29.700 0.116 0.000 1.130 254 E HN 0.187 nan 8.360 nan 0.000 0.394 255 P HA -0.037 nan 4.420 nan 0.000 0.271 255 P C 0.078 177.499 177.300 0.202 0.000 1.216 255 P CA 0.235 63.416 63.100 0.135 0.000 0.776 255 P CB 0.795 32.556 31.700 0.101 0.000 0.881 256 M N 1.846 121.538 119.600 0.154 0.000 2.296 256 M HA -0.068 4.334 4.480 -0.130 0.000 0.265 256 M C 0.477 176.773 176.300 -0.007 0.000 1.064 256 M CA 1.373 56.715 55.300 0.070 0.000 1.109 256 M CB 0.094 32.705 32.600 0.017 0.000 1.396 256 M HN 0.474 nan 8.290 nan 0.000 0.430 257 S N -0.864 114.855 115.700 0.032 0.000 2.570 257 S HA 0.318 4.710 4.470 -0.130 0.000 0.286 257 S C -0.514 174.114 174.600 0.047 0.000 1.099 257 S CA -1.044 57.170 58.200 0.022 0.000 0.913 257 S CB 1.279 64.483 63.200 0.007 0.000 1.085 257 S HN 0.254 nan 8.310 nan 0.000 0.480 258 N N 2.209 120.936 118.700 0.046 0.000 3.178 258 N HA 0.239 4.900 4.740 -0.130 0.000 0.300 258 N C -0.479 175.052 175.510 0.035 0.000 1.242 258 N CA 0.091 53.172 53.050 0.052 0.000 1.192 258 N CB -0.596 37.924 38.487 0.055 0.000 1.463 258 N HN 0.834 nan 8.380 nan 0.000 0.539 259 T N -3.217 111.355 114.554 0.030 0.000 2.906 259 T HA 0.253 4.524 4.350 -0.130 0.000 0.295 259 T C 1.442 176.150 174.700 0.013 0.000 1.061 259 T CA -0.426 61.683 62.100 0.015 0.000 1.000 259 T CB 1.135 70.006 68.868 0.005 0.000 1.103 259 T HN 0.170 nan 8.240 nan 0.000 0.486 260 T N 0.169 114.725 114.554 0.003 0.000 2.788 260 T HA -0.105 4.167 4.350 -0.130 0.000 0.268 260 T C 1.886 176.580 174.700 -0.010 0.000 1.044 260 T CA 0.514 62.616 62.100 0.002 0.000 1.139 260 T CB -0.519 68.346 68.868 -0.004 0.000 0.867 260 T HN 0.508 nan 8.240 nan 0.000 0.454 261 I N 2.396 122.943 120.570 -0.039 0.000 2.163 261 I HA -0.147 3.944 4.170 -0.130 0.000 0.243 261 I C 2.076 178.185 176.117 -0.013 0.000 1.085 261 I CA 1.772 63.022 61.300 -0.084 0.000 1.347 261 I CB -0.980 36.924 38.000 -0.160 0.000 1.044 261 I HN 0.267 nan 8.210 nan 0.000 0.408 262 D N 0.375 120.785 120.400 0.017 0.000 2.224 262 D HA -0.053 4.508 4.640 -0.130 0.000 0.205 262 D C 2.276 178.604 176.300 0.047 0.000 0.965 262 D CA 0.734 54.763 54.000 0.048 0.000 0.852 262 D CB -0.025 40.804 40.800 0.048 0.000 0.947 262 D HN 0.322 nan 8.370 nan 0.000 0.494 263 I N 1.060 121.657 120.570 0.045 0.000 2.226 263 I HA -0.207 3.885 4.170 -0.130 0.000 0.245 263 I C 2.230 178.378 176.117 0.051 0.000 1.100 263 I CA 0.977 62.309 61.300 0.054 0.000 1.374 263 I CB -0.026 38.009 38.000 0.058 0.000 1.057 263 I HN -0.113 nan 8.210 nan 0.000 0.413 264 E N 0.899 121.126 120.200 0.045 0.000 2.106 264 E HA -0.169 4.103 4.350 -0.130 0.000 0.192 264 E C 2.331 178.968 176.600 0.061 0.000 0.984 264 E CA 1.352 57.785 56.400 0.054 0.000 0.806 264 E CB -0.339 29.386 29.700 0.042 0.000 0.750 264 E HN 0.494 nan 8.360 nan 0.000 0.458 265 A N 1.572 124.431 122.820 0.065 0.000 1.877 265 A HA -0.119 4.123 4.320 -0.130 0.000 0.216 265 A C 2.437 179.997 177.584 -0.041 0.000 1.186 265 A CA 2.219 54.280 52.037 0.040 0.000 0.620 265 A CB -0.638 18.398 19.000 0.060 0.000 0.822 265 A HN 0.273 nan 8.150 nan 0.000 0.443 266 A N -0.286 122.512 122.820 -0.036 0.000 1.902 266 A HA -0.158 4.084 4.320 -0.130 0.000 0.217 266 A C 2.103 179.639 177.584 -0.081 0.000 1.181 266 A CA 1.818 53.801 52.037 -0.090 0.000 0.623 266 A CB -0.442 18.522 19.000 -0.059 0.000 0.818 266 A HN 0.551 nan 8.150 nan 0.000 0.443 267 K N -0.832 119.566 120.400 -0.003 0.000 2.063 267 K HA -0.170 4.072 4.320 -0.130 0.000 0.208 267 K C 2.373 179.035 176.600 0.103 0.000 1.048 267 K CA 1.589 57.919 56.287 0.072 0.000 0.928 267 K CB -0.170 32.406 32.500 0.126 0.000 0.713 267 K HN 0.477 nan 8.250 nan 0.000 0.442 268 R N 0.730 121.280 120.500 0.083 0.000 2.075 268 R HA -0.105 4.157 4.340 -0.130 0.000 0.232 268 R C 2.238 178.641 176.300 0.173 0.000 1.126 268 R CA 1.368 57.559 56.100 0.152 0.000 0.963 268 R CB -0.211 30.161 30.300 0.120 0.000 0.858 268 R HN 0.190 nan 8.270 nan 0.000 0.435 269 A N 0.378 123.160 122.820 -0.063 0.000 1.933 269 A HA -0.227 4.014 4.320 -0.130 0.000 0.218 269 A C 2.054 179.641 177.584 0.005 0.000 1.175 269 A CA 1.547 53.431 52.037 -0.256 0.000 0.628 269 A CB -0.524 17.955 19.000 -0.869 0.000 0.814 269 A HN 0.405 nan 8.150 nan 0.000 0.444 270 Q N 0.033 119.905 119.800 0.119 0.000 2.084 270 Q HA -0.157 4.105 4.340 -0.130 0.000 0.202 270 Q C 1.813 177.967 176.000 0.257 0.000 0.978 270 Q CA 2.185 58.117 55.803 0.215 0.000 0.844 270 Q CB -0.367 28.309 28.738 -0.103 0.000 0.898 270 Q HN 0.754 nan 8.270 nan 0.000 0.426 271 E N -1.134 119.224 120.200 0.264 0.000 2.118 271 E HA -0.165 4.107 4.350 -0.130 0.000 0.195 271 E C 1.426 178.140 176.600 0.190 0.000 0.992 271 E CA 1.100 57.650 56.400 0.250 0.000 0.804 271 E CB -0.146 29.662 29.700 0.180 0.000 0.741 271 E HN 0.348 nan 8.360 nan 0.000 0.458 272 F N 0.453 120.469 119.950 0.111 0.000 2.558 272 F HA -0.039 4.407 4.527 -0.135 0.000 0.298 272 F C 2.392 178.351 175.800 0.266 0.000 1.119 272 F CA 0.825 58.870 58.000 0.076 0.000 1.451 272 F CB 0.252 39.234 39.000 -0.031 0.000 1.091 272 F HN 0.014 nan 8.300 nan 0.000 0.563 273 Q N -0.436 119.607 119.800 0.406 0.000 2.389 273 Q HA -0.026 4.236 4.340 -0.130 0.000 0.198 273 Q C 1.925 178.067 176.000 0.236 0.000 0.967 273 Q CA 0.630 56.561 55.803 0.213 0.000 0.863 273 Q CB -0.226 28.607 28.738 0.159 0.000 0.987 273 Q HN 0.365 nan 8.270 nan 0.000 0.557 274 L N 0.304 121.670 121.223 0.238 0.000 2.145 274 L HA 0.292 4.553 4.340 -0.130 0.000 0.201 274 L C 2.079 179.094 176.870 0.243 0.000 1.075 274 L CA 2.215 57.166 54.840 0.185 0.000 0.773 274 L CB -0.822 41.352 42.059 0.192 0.000 0.936 274 L HN 0.301 nan 8.230 nan 0.000 0.451 275 G N -0.888 108.121 108.800 0.348 0.000 2.450 275 G HA2 -0.344 3.537 3.960 -0.130 0.000 0.220 275 G HA3 -0.344 3.537 3.960 -0.130 0.000 0.220 275 G C 1.350 176.454 174.900 0.340 0.000 1.130 275 G CA 0.715 46.042 45.100 0.379 0.000 0.760 275 G HN 0.570 nan 8.290 nan 0.000 0.557 276 W N 1.203 122.535 121.300 0.052 0.000 2.305 276 W HA -0.067 4.518 4.660 -0.125 0.000 0.308 276 W C 1.832 178.230 176.519 -0.202 0.000 1.226 276 W CA 1.172 58.452 57.345 -0.109 0.000 1.253 276 W CB -0.674 28.631 29.460 -0.258 0.000 1.146 276 W HN 0.247 nan 8.180 nan 0.000 0.507 277 F N -0.614 119.498 119.950 0.271 0.000 2.383 277 F HA 0.202 4.651 4.527 -0.130 0.000 0.287 277 F C 2.515 178.305 175.800 -0.017 0.000 1.069 277 F CA 1.385 59.442 58.000 0.095 0.000 1.402 277 F CB -1.364 37.776 39.000 0.233 0.000 1.116 277 F HN -0.149 nan 8.300 nan 0.000 0.549 278 A N -0.139 122.708 122.820 0.046 0.000 1.970 278 A HA -0.087 4.155 4.320 -0.130 0.000 0.216 278 A C 1.683 179.281 177.584 0.023 0.000 1.170 278 A CA 1.632 53.614 52.037 -0.091 0.000 0.645 278 A CB -0.697 17.984 19.000 -0.532 0.000 0.816 278 A HN 0.223 nan 8.150 nan 0.000 0.447 279 D N 0.095 120.621 120.400 0.209 0.000 2.092 279 D HA -0.087 4.475 4.640 -0.130 0.000 0.193 279 D C -0.506 175.814 176.300 0.033 0.000 0.994 279 D CA 1.578 55.756 54.000 0.296 0.000 0.828 279 D CB -1.426 39.659 40.800 0.474 0.000 0.963 279 D HN 0.271 nan 8.370 nan 0.000 0.450 280 P HA -0.152 nan 4.420 nan 0.000 0.216 280 P C 1.171 178.174 177.300 -0.495 0.000 1.157 280 P CA 1.054 63.861 63.100 -0.488 0.000 0.880 280 P CB -0.120 31.133 31.700 -0.746 0.000 0.791 281 F N -2.966 116.803 119.950 -0.301 0.000 2.325 281 F HA -0.008 4.440 4.527 -0.131 0.000 0.299 281 F C 1.967 177.342 175.800 -0.709 0.000 1.090 281 F CA 1.095 58.799 58.000 -0.493 0.000 1.392 281 F CB -1.031 37.618 39.000 -0.584 0.000 1.053 281 F HN -0.103 nan 8.300 nan 0.000 0.521 282 F N -3.091 116.702 119.950 -0.263 0.000 2.653 282 F HA 0.151 4.600 4.527 -0.130 0.000 0.288 282 F C 1.498 177.094 175.800 -0.339 0.000 1.121 282 F CA 0.444 58.185 58.000 -0.432 0.000 1.384 282 F CB -0.203 38.357 39.000 -0.734 0.000 1.115 282 F HN -0.190 nan 8.300 nan 0.000 0.599 283 F N -1.452 118.614 119.950 0.194 0.000 2.784 283 F HA 0.394 4.843 4.527 -0.131 0.000 0.323 283 F C 1.752 177.546 175.800 -0.009 0.000 1.085 283 F CA 0.243 58.308 58.000 0.108 0.000 1.196 283 F CB 0.758 39.835 39.000 0.129 0.000 1.053 283 F HN -0.053 nan 8.300 nan 0.000 0.578 284 G N 0.986 109.784 108.800 -0.004 0.000 2.157 284 G HA2 -0.234 3.648 3.960 -0.130 0.000 0.248 284 G HA3 -0.234 3.648 3.960 -0.130 0.000 0.248 284 G C -0.522 174.235 174.900 -0.238 0.000 0.979 284 G CA 0.366 45.361 45.100 -0.176 0.000 0.650 284 G HN 0.368 nan 8.290 nan 0.000 0.529 285 D N -1.937 118.391 120.400 -0.119 0.000 2.639 285 D HA 0.518 5.080 4.640 -0.130 0.000 0.271 285 D C -0.264 176.052 176.300 0.026 0.000 1.254 285 D CA -0.685 53.288 54.000 -0.043 0.000 0.810 285 D CB 0.533 41.388 40.800 0.092 0.000 1.351 285 D HN -0.058 nan 8.370 nan 0.000 0.427 286 Y N 0.359 120.811 120.300 0.253 0.000 2.426 286 Y HA 0.277 4.748 4.550 -0.131 0.000 0.344 286 Y C -1.389 174.569 175.900 0.097 0.000 1.256 286 Y CA -1.149 57.051 58.100 0.167 0.000 1.451 286 Y CB -0.344 38.177 38.460 0.101 0.000 1.342 286 Y HN 0.093 nan 8.280 nan 0.000 0.600 287 P HA -0.028 nan 4.420 nan 0.000 0.264 287 P C -0.078 177.243 177.300 0.036 0.000 1.183 287 P CA 0.637 63.806 63.100 0.114 0.000 0.763 287 P CB 0.725 32.439 31.700 0.023 0.000 0.807 288 A N 3.274 126.116 122.820 0.036 0.000 1.986 288 A HA -0.230 4.011 4.320 -0.130 0.000 0.220 288 A C 2.265 179.838 177.584 -0.018 0.000 1.171 288 A CA 2.510 54.554 52.037 0.012 0.000 0.640 288 A CB -1.677 17.329 19.000 0.011 0.000 0.811 288 A HN 0.543 nan 8.150 nan 0.000 0.451 289 T N -1.138 113.401 114.554 -0.024 0.000 2.867 289 T HA -0.099 4.172 4.350 -0.130 0.000 0.268 289 T C 1.890 176.537 174.700 -0.088 0.000 1.057 289 T CA 1.688 63.789 62.100 0.002 0.000 1.136 289 T CB -0.382 68.544 68.868 0.096 0.000 0.874 289 T HN 0.475 nan 8.240 nan 0.000 0.466 290 M N 0.114 119.495 119.600 -0.364 0.000 2.099 290 M HA -0.003 4.399 4.480 -0.130 0.000 0.262 290 M C 2.558 178.682 176.300 -0.292 0.000 1.067 290 M CA 1.633 56.594 55.300 -0.564 0.000 1.124 290 M CB -0.374 31.735 32.600 -0.819 0.000 1.353 290 M HN 0.114 nan 8.290 nan 0.000 0.410 291 R N 1.192 121.586 120.500 -0.176 0.000 2.096 291 R HA -0.137 4.124 4.340 -0.130 0.000 0.240 291 R C 2.023 178.267 176.300 -0.093 0.000 1.139 291 R CA 2.344 58.377 56.100 -0.111 0.000 0.952 291 R CB -0.988 29.297 30.300 -0.025 0.000 0.854 291 R HN 0.382 nan 8.270 nan 0.000 0.436 292 A N 0.166 122.952 122.820 -0.056 0.000 1.877 292 A HA -0.142 4.100 4.320 -0.130 0.000 0.216 292 A C 2.207 179.771 177.584 -0.033 0.000 1.186 292 A CA 1.831 53.850 52.037 -0.030 0.000 0.620 292 A CB -0.366 18.634 19.000 -0.001 0.000 0.822 292 A HN 0.420 nan 8.150 nan 0.000 0.443 293 R N -1.361 119.131 120.500 -0.012 0.000 2.189 293 R HA 0.124 4.386 4.340 -0.130 0.000 0.203 293 R C 1.670 177.935 176.300 -0.058 0.000 1.012 293 R CA 0.958 57.063 56.100 0.007 0.000 1.015 293 R CB 0.044 30.416 30.300 0.119 0.000 0.938 293 R HN 0.385 nan 8.270 nan 0.000 0.472 294 V N 0.008 119.836 119.914 -0.143 0.000 2.992 294 V HA 0.159 4.201 4.120 -0.130 0.000 0.250 294 V C 1.467 177.389 176.094 -0.287 0.000 1.090 294 V CA 0.919 63.032 62.300 -0.310 0.000 1.101 294 V CB -0.237 31.188 31.823 -0.663 0.000 0.743 294 V HN 0.624 nan 8.190 nan 0.000 0.468 295 G N 1.257 109.929 108.800 -0.214 0.000 2.583 295 G HA2 -0.340 3.542 3.960 -0.130 0.000 0.292 295 G HA3 -0.340 3.542 3.960 -0.130 0.000 0.292 295 G C 0.731 175.522 174.900 -0.182 0.000 1.203 295 G CA 0.508 45.513 45.100 -0.159 0.000 0.987 295 G HN 0.349 nan 8.290 nan 0.000 0.554 296 E N 0.899 121.013 120.200 -0.143 0.000 2.409 296 E HA -0.041 4.231 4.350 -0.130 0.000 0.198 296 E C 2.598 179.098 176.600 -0.166 0.000 1.024 296 E CA 0.728 57.049 56.400 -0.132 0.000 0.861 296 E CB -0.021 29.624 29.700 -0.092 0.000 0.788 296 E HN 0.541 nan 8.360 nan 0.000 0.521 297 R N 0.316 120.690 120.500 -0.211 0.000 2.280 297 R HA 0.007 4.269 4.340 -0.130 0.000 0.207 297 R C 0.582 176.669 176.300 -0.355 0.000 1.043 297 R CA 0.076 56.037 56.100 -0.233 0.000 1.006 297 R CB 0.015 30.187 30.300 -0.213 0.000 0.885 297 R HN -0.036 nan 8.270 nan 0.000 0.467 298 L N 1.818 122.782 121.223 -0.432 0.000 2.257 298 L HA 0.366 4.628 4.340 -0.130 0.000 0.290 298 L C -2.445 174.227 176.870 -0.330 0.000 1.044 298 L CA -2.453 52.093 54.840 -0.489 0.000 0.810 298 L CB 1.085 42.794 42.059 -0.584 0.000 1.193 298 L HN -0.218 nan 8.230 nan 0.000 0.425 299 P HA 0.175 nan 4.420 nan 0.000 0.269 299 P C -1.147 175.932 177.300 -0.368 0.000 1.217 299 P CA -0.027 62.774 63.100 -0.499 0.000 0.783 299 P CB 0.433 31.482 31.700 -1.085 0.000 0.898 300 R N 1.399 121.722 120.500 -0.294 0.000 2.460 300 R HA 0.433 4.695 4.340 -0.130 0.000 0.303 300 R C -0.351 175.889 176.300 -0.100 0.000 0.968 300 R CA -0.639 55.390 56.100 -0.119 0.000 0.889 300 R CB 0.573 30.859 30.300 -0.023 0.000 1.123 300 R HN 0.368 nan 8.270 nan 0.000 0.455 301 F N 1.076 121.122 119.950 0.160 0.000 2.471 301 F HA 0.057 4.505 4.527 -0.132 0.000 0.353 301 F C 1.607 177.452 175.800 0.075 0.000 1.113 301 F CA -0.057 58.026 58.000 0.138 0.000 1.262 301 F CB 0.684 39.700 39.000 0.028 0.000 1.146 301 F HN 0.464 nan 8.300 nan 0.000 0.578 302 T N -0.225 114.483 114.554 0.257 0.000 2.813 302 T HA 0.412 4.684 4.350 -0.130 0.000 0.297 302 T C 1.229 176.012 174.700 0.138 0.000 1.036 302 T CA -0.380 61.813 62.100 0.155 0.000 1.044 302 T CB 1.235 70.171 68.868 0.113 0.000 0.993 302 T HN 0.702 nan 8.240 nan 0.000 0.535 303 A N 1.283 124.156 122.820 0.088 0.000 1.917 303 A HA -0.137 4.104 4.320 -0.130 0.000 0.219 303 A C 2.048 179.660 177.584 0.046 0.000 1.182 303 A CA 1.931 54.003 52.037 0.059 0.000 0.633 303 A CB -1.056 17.970 19.000 0.044 0.000 0.819 303 A HN 0.925 nan 8.150 nan 0.000 0.448 304 D N -0.551 119.880 120.400 0.051 0.000 2.178 304 D HA -0.107 4.455 4.640 -0.130 0.000 0.202 304 D C 1.887 178.213 176.300 0.043 0.000 0.974 304 D CA 1.358 55.383 54.000 0.040 0.000 0.841 304 D CB -0.349 40.475 40.800 0.040 0.000 0.953 304 D HN 0.678 nan 8.370 nan 0.000 0.478 305 E N 0.775 121.021 120.200 0.077 0.000 2.047 305 E HA -0.076 4.196 4.350 -0.130 0.000 0.191 305 E C 2.182 178.774 176.600 -0.012 0.000 0.987 305 E CA 0.876 57.332 56.400 0.094 0.000 0.799 305 E CB -0.042 29.800 29.700 0.236 0.000 0.752 305 E HN 0.159 nan 8.360 nan 0.000 0.449 306 A N 1.418 124.210 122.820 -0.047 0.000 1.948 306 A HA -0.220 4.022 4.320 -0.130 0.000 0.220 306 A C 2.356 179.863 177.584 -0.129 0.000 1.177 306 A CA 1.935 53.855 52.037 -0.196 0.000 0.636 306 A CB -0.709 18.229 19.000 -0.104 0.000 0.815 306 A HN 0.314 nan 8.150 nan 0.000 0.449 307 A N -0.978 121.812 122.820 -0.049 0.000 2.015 307 A HA 0.116 4.358 4.320 -0.130 0.000 0.219 307 A C 2.109 179.680 177.584 -0.021 0.000 1.163 307 A CA 1.629 53.651 52.037 -0.025 0.000 0.646 307 A CB -0.519 18.479 19.000 -0.003 0.000 0.806 307 A HN 0.407 nan 8.150 nan 0.000 0.448 308 V N -0.933 118.970 119.914 -0.018 0.000 2.725 308 V HA -0.103 3.939 4.120 -0.130 0.000 0.247 308 V C 2.433 178.533 176.094 0.010 0.000 1.058 308 V CA 1.402 63.703 62.300 0.002 0.000 1.080 308 V CB -0.125 31.709 31.823 0.020 0.000 0.713 308 V HN 0.335 nan 8.190 nan 0.000 0.465 309 V N -0.451 119.435 119.914 -0.048 0.000 2.283 309 V HA -0.092 3.949 4.120 -0.130 0.000 0.243 309 V C 1.393 177.464 176.094 -0.038 0.000 1.039 309 V CA 1.096 63.358 62.300 -0.062 0.000 1.016 309 V CB -0.330 31.259 31.823 -0.391 0.000 0.650 309 V HN 0.437 nan 8.190 nan 0.000 0.449 310 K N 0.527 120.853 120.400 -0.124 0.000 2.453 310 K HA 0.241 4.483 4.320 -0.130 0.000 0.280 310 K C 0.997 177.574 176.600 -0.039 0.000 1.045 310 K CA 0.888 57.123 56.287 -0.087 0.000 1.059 310 K CB 0.037 32.501 32.500 -0.061 0.000 0.901 310 K HN 0.526 nan 8.250 nan 0.000 0.475 311 G N 2.562 111.315 108.800 -0.079 0.000 2.157 311 G HA2 -0.311 3.571 3.960 -0.130 0.000 0.248 311 G HA3 -0.311 3.571 3.960 -0.130 0.000 0.248 311 G C 0.597 175.456 174.900 -0.069 0.000 0.979 311 G CA 0.286 45.343 45.100 -0.072 0.000 0.650 311 G HN 0.763 nan 8.290 nan 0.000 0.529 312 A N -0.476 122.326 122.820 -0.029 0.000 2.238 312 A HA 0.640 4.882 4.320 -0.130 0.000 0.208 312 A C 1.128 178.688 177.584 -0.040 0.000 1.177 312 A CA 0.602 52.655 52.037 0.027 0.000 0.804 312 A CB 0.001 19.120 19.000 0.198 0.000 0.823 312 A HN 0.689 nan 8.150 nan 0.000 0.482 313 L N -0.170 120.882 121.223 -0.285 0.000 2.307 313 L HA 0.321 4.583 4.340 -0.130 0.000 0.282 313 L C 0.165 176.931 176.870 -0.173 0.000 1.051 313 L CA -0.783 53.833 54.840 -0.375 0.000 0.804 313 L CB 1.179 42.888 42.059 -0.585 0.000 1.197 313 L HN 0.101 nan 8.230 nan 0.000 0.431 314 D N 1.731 122.048 120.400 -0.138 0.000 2.301 314 D HA 0.094 4.656 4.640 -0.130 0.000 0.206 314 D C -0.130 176.301 176.300 0.218 0.000 0.979 314 D CA 1.077 55.115 54.000 0.063 0.000 0.874 314 D CB 0.470 41.361 40.800 0.151 0.000 0.968 314 D HN 0.338 nan 8.370 nan 0.000 0.510 315 F N -1.581 118.434 119.950 0.109 0.000 2.662 315 F HA 0.590 5.038 4.527 -0.131 0.000 0.312 315 F C -1.256 174.636 175.800 0.153 0.000 1.113 315 F CA -1.466 56.649 58.000 0.192 0.000 0.951 315 F CB 1.103 40.308 39.000 0.342 0.000 1.344 315 F HN -0.417 nan 8.300 nan 0.000 0.462 316 V N 1.892 122.080 119.914 0.457 0.000 2.347 316 V HA 0.690 4.731 4.120 -0.130 0.000 0.280 316 V C 0.406 176.804 176.094 0.506 0.000 1.021 316 V CA -0.479 62.048 62.300 0.379 0.000 0.847 316 V CB 1.005 33.067 31.823 0.397 0.000 0.990 316 V HN 1.128 nan 8.190 nan 0.000 0.444 317 G N 5.597 114.614 108.800 0.360 0.000 2.353 317 G HA2 0.597 4.479 3.960 -0.130 0.000 0.284 317 G HA3 0.597 4.479 3.960 -0.130 0.000 0.284 317 G C -0.604 174.446 174.900 0.249 0.000 1.172 317 G CA -0.357 44.930 45.100 0.313 0.000 0.854 317 G HN 0.472 nan 8.290 nan 0.000 0.485 318 I N 2.356 123.074 120.570 0.246 0.000 2.389 318 I HA 0.236 4.327 4.170 -0.130 0.000 0.288 318 I C -0.864 175.353 176.117 0.167 0.000 0.999 318 I CA -1.170 60.275 61.300 0.242 0.000 1.129 318 I CB 1.694 39.846 38.000 0.253 0.000 1.288 318 I HN 0.299 nan 8.210 nan 0.000 0.444 319 N N 5.014 123.800 118.700 0.144 0.000 2.457 319 N HA 0.280 4.942 4.740 -0.130 0.000 0.250 319 N C -0.667 174.932 175.510 0.149 0.000 0.982 319 N CA -0.306 52.793 53.050 0.081 0.000 0.941 319 N CB 0.538 39.071 38.487 0.077 0.000 1.120 319 N HN 0.523 nan 8.380 nan 0.000 0.505 320 H N 1.024 120.053 119.070 -0.069 0.000 2.667 320 H HA 0.347 4.823 4.556 -0.132 0.000 0.353 320 H C -0.746 174.538 175.328 -0.072 0.000 1.072 320 H CA -0.466 55.624 56.048 0.069 0.000 1.214 320 H CB 0.723 30.581 29.762 0.159 0.000 1.600 320 H HN 0.477 nan 8.280 nan 0.000 0.527 321 Y N 1.753 121.864 120.300 -0.315 0.000 2.652 321 Y HA 0.271 4.742 4.550 -0.132 0.000 0.274 321 Y C 0.827 176.707 175.900 -0.034 0.000 1.148 321 Y CA 0.426 58.504 58.100 -0.037 0.000 1.219 321 Y CB 1.245 39.883 38.460 0.296 0.000 1.337 321 Y HN 0.612 nan 8.280 nan 0.000 0.490 322 T N -0.932 113.609 114.554 -0.020 0.000 2.792 322 T HA 0.573 4.845 4.350 -0.130 0.000 0.303 322 T C -1.343 173.478 174.700 0.202 0.000 1.310 322 T CA -0.411 61.837 62.100 0.246 0.000 1.007 322 T CB 1.667 70.790 68.868 0.426 0.000 1.335 322 T HN -0.124 nan 8.240 nan 0.000 0.504 323 T N 2.395 117.116 114.554 0.279 0.000 2.886 323 T HA 0.697 4.969 4.350 -0.130 0.000 0.292 323 T C -1.689 173.181 174.700 0.284 0.000 1.012 323 T CA -0.429 61.800 62.100 0.215 0.000 0.982 323 T CB 0.736 69.773 68.868 0.281 0.000 1.018 323 T HN 0.396 nan 8.240 nan 0.000 0.451 324 Y N 0.680 120.964 120.300 -0.027 0.000 2.587 324 Y HA 0.570 5.039 4.550 -0.136 0.000 0.337 324 Y C -0.225 175.642 175.900 -0.055 0.000 1.065 324 Y CA -2.286 55.802 58.100 -0.021 0.000 1.126 324 Y CB 0.817 39.405 38.460 0.212 0.000 1.279 324 Y HN 0.550 nan 8.280 nan 0.000 0.489 325 Y N -0.080 120.363 120.300 0.239 0.000 2.304 325 Y HA 0.423 4.890 4.550 -0.138 0.000 0.327 325 Y C 0.491 176.480 175.900 0.149 0.000 1.209 325 Y CA -0.084 58.107 58.100 0.151 0.000 1.299 325 Y CB 0.816 39.319 38.460 0.072 0.000 1.249 325 Y HN 0.307 nan 8.280 nan 0.000 0.519 326 T N 4.158 118.858 114.554 0.242 0.000 2.841 326 T HA 0.504 4.776 4.350 -0.130 0.000 0.285 326 T C -0.615 174.117 174.700 0.053 0.000 0.991 326 T CA -1.102 61.039 62.100 0.067 0.000 0.966 326 T CB 0.885 69.692 68.868 -0.102 0.000 0.962 326 T HN 0.621 nan 8.240 nan 0.000 0.438 327 R N 1.288 121.803 120.500 0.025 0.000 2.787 327 R HA 0.644 4.906 4.340 -0.130 0.000 0.271 327 R C -0.401 175.908 176.300 0.015 0.000 0.993 327 R CA -0.912 55.207 56.100 0.032 0.000 0.993 327 R CB 0.712 31.031 30.300 0.032 0.000 1.155 327 R HN 0.622 nan 8.270 nan 0.000 0.486 328 H N 0.764 119.810 119.070 -0.040 0.000 2.897 328 H HA 0.125 4.680 4.556 -0.001 0.000 0.347 328 H C -1.013 174.284 175.328 -0.051 0.000 1.068 328 H CA 0.697 56.715 56.048 -0.050 0.000 1.426 328 H CB 0.715 30.456 29.762 -0.035 0.000 1.410 328 H HN 0.638 nan 8.280 nan 0.000 0.597 329 N N 3.062 121.433 118.700 -0.549 0.000 2.410 329 N HA 0.195 4.856 4.740 -0.130 0.000 0.287 329 N C -1.703 173.573 175.510 -0.390 0.000 1.044 329 N CA -0.756 52.094 53.050 -0.333 0.000 0.881 329 N CB 0.847 39.201 38.487 -0.222 0.000 1.405 329 N HN 0.549 nan 8.380 nan 0.000 0.490 330 N N 1.495 120.103 118.700 -0.154 0.000 2.426 330 N HA 0.449 5.110 4.740 -0.130 0.000 0.275 330 N C -0.599 174.872 175.510 -0.065 0.000 1.019 330 N CA 0.058 53.065 53.050 -0.073 0.000 0.941 330 N CB 1.349 39.855 38.487 0.031 0.000 1.123 330 N HN 0.703 nan 8.380 nan 0.000 0.486 331 T N -1.553 112.959 114.554 -0.069 0.000 2.716 331 T HA 0.487 4.759 4.350 -0.130 0.000 0.286 331 T C -0.222 174.452 174.700 -0.043 0.000 1.052 331 T CA -0.916 61.151 62.100 -0.055 0.000 1.024 331 T CB 1.391 70.218 68.868 -0.068 0.000 1.349 331 T HN 0.487 nan 8.240 nan 0.000 0.525 332 N N 0.060 118.736 118.700 -0.039 0.000 2.636 332 N HA 0.161 4.823 4.740 -0.130 0.000 0.287 332 N C -0.582 174.908 175.510 -0.033 0.000 1.817 332 N CA -0.448 52.583 53.050 -0.032 0.000 0.842 332 N CB -0.163 38.309 38.487 -0.024 0.000 1.353 332 N HN 0.757 nan 8.380 nan 0.000 0.500 333 I N 1.179 121.725 120.570 -0.040 0.000 3.017 333 I HA -0.195 3.896 4.170 -0.130 0.000 0.310 333 I C 0.758 176.854 176.117 -0.034 0.000 1.220 333 I CA 0.147 61.423 61.300 -0.040 0.000 1.450 333 I CB 0.615 38.589 38.000 -0.044 0.000 1.317 333 I HN 0.322 nan 8.210 nan 0.000 0.570 334 I N 8.449 128.999 120.570 -0.034 0.000 2.366 334 I HA 0.353 4.445 4.170 -0.130 0.000 0.302 334 I C 0.524 176.622 176.117 -0.031 0.000 1.194 334 I CA 0.701 61.983 61.300 -0.030 0.000 1.667 334 I CB -1.408 36.575 38.000 -0.029 0.000 1.501 334 I HN 0.738 nan 8.210 nan 0.000 0.776 335 G N 4.285 113.067 108.800 -0.029 0.000 2.855 335 G HA2 -0.295 3.587 3.960 -0.130 0.000 0.352 335 G HA3 -0.295 3.587 3.960 -0.130 0.000 0.352 335 G C 0.535 175.418 174.900 -0.029 0.000 1.415 335 G CA -0.148 44.935 45.100 -0.027 0.000 0.871 335 G HN 0.477 nan 8.290 nan 0.000 0.543 336 T N 0.301 114.840 114.554 -0.026 0.000 2.759 336 T HA -0.130 4.141 4.350 -0.130 0.000 0.269 336 T C 2.695 177.381 174.700 -0.023 0.000 1.042 336 T CA 2.004 64.090 62.100 -0.023 0.000 1.140 336 T CB -0.248 68.607 68.868 -0.021 0.000 0.864 336 T HN 0.456 nan 8.240 nan 0.000 0.455 337 L N 0.507 121.714 121.223 -0.026 0.000 2.081 337 L HA -0.014 4.248 4.340 -0.130 0.000 0.212 337 L C 1.953 178.800 176.870 -0.038 0.000 1.080 337 L CA 1.601 56.424 54.840 -0.029 0.000 0.754 337 L CB -0.736 41.305 42.059 -0.031 0.000 0.893 337 L HN 0.329 nan 8.230 nan 0.000 0.433 338 L N -1.197 120.001 121.223 -0.041 0.000 2.667 338 L HA 0.134 4.396 4.340 -0.130 0.000 0.232 338 L C 0.370 177.213 176.870 -0.045 0.000 1.138 338 L CA -0.487 54.321 54.840 -0.054 0.000 0.921 338 L CB -0.355 41.669 42.059 -0.058 0.000 1.180 338 L HN 0.152 nan 8.230 nan 0.000 0.487 339 N N 2.966 121.648 118.700 -0.029 0.000 2.356 339 N HA 0.003 4.664 4.740 -0.130 0.000 0.252 339 N C -0.364 175.145 175.510 -0.002 0.000 1.241 339 N CA 0.578 53.620 53.050 -0.013 0.000 0.861 339 N CB 0.417 38.906 38.487 0.003 0.000 1.075 339 N HN 0.423 nan 8.380 nan 0.000 0.461 340 N N -2.921 115.781 118.700 0.004 0.000 2.823 340 N HA 0.212 4.874 4.740 -0.130 0.000 0.251 340 N C 0.518 176.033 175.510 0.009 0.000 1.392 340 N CA -0.682 52.373 53.050 0.009 0.000 0.864 340 N CB 0.510 38.995 38.487 -0.005 0.000 1.481 340 N HN 0.233 nan 8.380 nan 0.000 0.508 341 T N -2.039 112.511 114.554 -0.008 0.000 2.821 341 T HA -0.140 4.132 4.350 -0.130 0.000 0.267 341 T C 1.480 176.132 174.700 -0.080 0.000 1.046 341 T CA 1.126 63.209 62.100 -0.028 0.000 1.139 341 T CB -0.276 68.536 68.868 -0.094 0.000 0.871 341 T HN 0.372 nan 8.240 nan 0.000 0.454 342 L N 2.049 123.232 121.223 -0.066 0.000 2.027 342 L HA 0.279 4.541 4.340 -0.130 0.000 0.206 342 L C 2.899 179.665 176.870 -0.172 0.000 1.074 342 L CA 1.810 56.585 54.840 -0.108 0.000 0.745 342 L CB -1.388 40.645 42.059 -0.044 0.000 0.898 342 L HN 0.342 nan 8.230 nan 0.000 0.433 343 A N -0.771 121.975 122.820 -0.123 0.000 1.917 343 A HA -0.261 3.980 4.320 -0.130 0.000 0.219 343 A C 2.008 179.478 177.584 -0.191 0.000 1.182 343 A CA 2.008 53.962 52.037 -0.138 0.000 0.633 343 A CB -0.940 18.006 19.000 -0.090 0.000 0.819 343 A HN 0.554 nan 8.150 nan 0.000 0.448 344 D N -0.450 119.842 120.400 -0.181 0.000 2.182 344 D HA -0.132 4.430 4.640 -0.130 0.000 0.201 344 D C 2.290 178.275 176.300 -0.526 0.000 0.986 344 D CA 2.008 55.886 54.000 -0.204 0.000 0.847 344 D CB -0.553 40.232 40.800 -0.025 0.000 0.942 344 D HN 0.665 nan 8.370 nan 0.000 0.467 345 T N -2.719 111.324 114.554 -0.851 0.000 2.915 345 T HA 0.056 4.328 4.350 -0.130 0.000 0.269 345 T C 1.749 176.046 174.700 -0.671 0.000 1.071 345 T CA 1.233 62.520 62.100 -1.354 0.000 1.132 345 T CB -0.305 67.989 68.868 -0.957 0.000 0.878 345 T HN 0.225 nan 8.240 nan 0.000 0.479 346 G N 1.586 110.121 108.800 -0.441 0.000 2.198 346 G HA2 -0.185 3.697 3.960 -0.130 0.000 0.260 346 G HA3 -0.185 3.697 3.960 -0.130 0.000 0.260 346 G C 0.206 174.864 174.900 -0.402 0.000 1.025 346 G CA 0.789 45.669 45.100 -0.368 0.000 0.769 346 G HN 1.389 nan 8.290 nan 0.000 0.507 347 T N -3.884 110.465 114.554 -0.342 0.000 2.864 347 T HA 0.760 5.032 4.350 -0.130 0.000 0.299 347 T C -0.792 173.785 174.700 -0.205 0.000 1.166 347 T CA -0.399 61.538 62.100 -0.272 0.000 1.007 347 T CB 3.097 71.796 68.868 -0.282 0.000 1.219 347 T HN 0.964 nan 8.240 nan 0.000 0.506 348 V N 1.448 121.278 119.914 -0.139 0.000 2.638 348 V HA 0.721 4.763 4.120 -0.130 0.000 0.306 348 V C -0.444 175.632 176.094 -0.029 0.000 1.052 348 V CA -0.713 61.545 62.300 -0.071 0.000 0.885 348 V CB 2.151 33.954 31.823 -0.035 0.000 0.999 348 V HN 1.128 nan 8.190 nan 0.000 0.424 349 S N 5.563 121.284 115.700 0.035 0.000 2.500 349 S HA 0.881 5.273 4.470 -0.130 0.000 0.301 349 S C -0.872 173.884 174.600 0.260 0.000 1.092 349 S CA -0.593 57.706 58.200 0.164 0.000 1.030 349 S CB 1.314 64.620 63.200 0.176 0.000 1.031 349 S HN 0.546 nan 8.310 nan 0.000 0.483 350 L N 2.730 124.060 121.223 0.179 0.000 2.518 350 L HA 0.500 4.762 4.340 -0.130 0.000 0.257 350 L C -2.383 174.310 176.870 -0.295 0.000 0.980 350 L CA -2.135 52.652 54.840 -0.089 0.000 0.837 350 L CB 2.577 44.690 42.059 0.090 0.000 1.410 350 L HN 0.352 nan 8.230 nan 0.000 0.410 351 P HA 0.140 nan 4.420 nan 0.000 0.255 351 P C -0.626 176.220 177.300 -0.757 0.000 1.427 351 P CA 0.372 62.893 63.100 -0.964 0.000 0.863 351 P CB -0.255 30.315 31.700 -1.883 0.000 1.444 352 F N 0.270 120.205 119.950 -0.025 0.000 2.540 352 F HA 0.508 4.955 4.527 -0.134 0.000 0.317 352 F C 0.618 176.398 175.800 -0.034 0.000 1.104 352 F CA -0.916 57.090 58.000 0.011 0.000 0.913 352 F CB 2.855 41.822 39.000 -0.056 0.000 1.170 352 F HN -0.375 nan 8.300 nan 0.000 0.450 353 K N 2.386 122.774 120.400 -0.021 0.000 2.426 353 K HA 0.364 4.606 4.320 -0.130 0.000 0.254 353 K C -0.487 176.051 176.600 -0.104 0.000 0.936 353 K CA -0.578 55.518 56.287 -0.318 0.000 0.801 353 K CB 0.897 32.841 32.500 -0.928 0.000 1.139 353 K HN 0.818 nan 8.250 nan 0.000 0.424 354 N N 3.069 121.722 118.700 -0.078 0.000 2.699 354 N HA -0.270 4.392 4.740 -0.130 0.000 0.256 354 N C 0.514 176.029 175.510 0.009 0.000 0.993 354 N CA 0.464 53.493 53.050 -0.035 0.000 0.759 354 N CB -0.888 37.573 38.487 -0.043 0.000 0.906 354 N HN 1.083 nan 8.380 nan 0.000 0.541 355 G N -0.742 108.077 108.800 0.031 0.000 2.228 355 G HA2 -0.417 3.465 3.960 -0.130 0.000 0.270 355 G HA3 -0.417 3.465 3.960 -0.130 0.000 0.270 355 G C 0.188 175.201 174.900 0.190 0.000 0.976 355 G CA 1.087 46.216 45.100 0.049 0.000 0.636 355 G HN 0.518 nan 8.290 nan 0.000 0.542 356 K N 1.868 122.391 120.400 0.205 0.000 2.211 356 K HA 0.492 4.734 4.320 -0.130 0.000 0.275 356 K C -2.051 174.717 176.600 0.280 0.000 1.024 356 K CA -2.162 54.260 56.287 0.226 0.000 0.887 356 K CB 1.674 34.247 32.500 0.123 0.000 1.084 356 K HN 0.053 nan 8.250 nan 0.000 0.463 357 P HA -0.038 nan 4.420 nan 0.000 0.269 357 P C 0.492 177.787 177.300 -0.009 0.000 1.215 357 P CA 0.068 63.073 63.100 -0.159 0.000 0.780 357 P CB 0.721 32.407 31.700 -0.023 0.000 0.898 358 I N 0.072 120.572 120.570 -0.117 0.000 2.614 358 I HA -0.003 4.088 4.170 -0.130 0.000 0.258 358 I C 0.830 177.003 176.117 0.093 0.000 1.189 358 I CA 1.289 62.607 61.300 0.030 0.000 1.462 358 I CB -0.223 37.622 38.000 -0.258 0.000 1.092 358 I HN 0.538 nan 8.210 nan 0.000 0.442 359 G N -0.556 108.348 108.800 0.173 0.000 2.559 359 G HA2 0.153 4.035 3.960 -0.130 0.000 0.291 359 G HA3 0.153 4.035 3.960 -0.130 0.000 0.291 359 G C -1.816 173.224 174.900 0.233 0.000 1.424 359 G CA -0.586 44.638 45.100 0.206 0.000 0.786 359 G HN -0.019 nan 8.290 nan 0.000 0.485 360 D N -0.349 120.134 120.400 0.137 0.000 2.443 360 D HA 0.195 4.757 4.640 -0.130 0.000 0.234 360 D C 0.463 176.734 176.300 -0.048 0.000 1.172 360 D CA 0.450 54.486 54.000 0.061 0.000 0.878 360 D CB 0.621 41.452 40.800 0.051 0.000 1.204 360 D HN 0.433 nan 8.370 nan 0.000 0.453 361 R N 1.349 121.722 120.500 -0.213 0.000 2.637 361 R HA 0.651 4.913 4.340 -0.130 0.000 0.291 361 R C -0.359 175.758 176.300 -0.304 0.000 0.963 361 R CA -0.891 54.916 56.100 -0.488 0.000 0.901 361 R CB 1.356 31.179 30.300 -0.795 0.000 1.160 361 R HN 0.507 nan 8.270 nan 0.000 0.457 362 A N 2.143 124.763 122.820 -0.335 0.000 2.256 362 A HA 0.013 4.255 4.320 -0.130 0.000 0.276 362 A C 0.983 178.366 177.584 -0.334 0.000 1.259 362 A CA 0.198 52.042 52.037 -0.321 0.000 0.813 362 A CB -0.035 18.721 19.000 -0.406 0.000 1.200 362 A HN 0.953 nan 8.150 nan 0.000 0.506 363 N N -0.392 118.108 118.700 -0.332 0.000 2.069 363 N HA -0.100 4.561 4.740 -0.130 0.000 0.191 363 N C 0.536 175.872 175.510 -0.290 0.000 1.031 363 N CA 1.622 54.510 53.050 -0.271 0.000 0.852 363 N CB -0.259 38.077 38.487 -0.253 0.000 1.018 363 N HN 0.459 nan 8.380 nan 0.000 0.423 364 S N 0.453 115.895 115.700 -0.430 0.000 2.537 364 S HA 0.019 4.410 4.470 -0.130 0.000 0.286 364 S C 1.382 175.716 174.600 -0.443 0.000 1.299 364 S CA -0.272 57.639 58.200 -0.482 0.000 1.067 364 S CB 0.460 63.097 63.200 -0.938 0.000 0.864 364 S HN 0.328 nan 8.310 nan 0.000 0.494 365 I N 4.019 124.502 120.570 -0.146 0.000 2.530 365 I HA -0.130 3.961 4.170 -0.130 0.000 0.257 365 I C 1.597 177.826 176.117 0.186 0.000 1.179 365 I CA 1.317 62.638 61.300 0.034 0.000 1.440 365 I CB -0.084 38.011 38.000 0.159 0.000 1.087 365 I HN 0.863 nan 8.210 nan 0.000 0.440 366 W N 0.256 121.682 121.300 0.210 0.000 3.197 366 W HA 0.195 4.776 4.660 -0.132 0.000 0.274 366 W C 0.311 177.092 176.519 0.435 0.000 1.297 366 W CA -0.301 57.269 57.345 0.374 0.000 1.662 366 W CB -0.550 29.085 29.460 0.293 0.000 1.106 366 W HN -0.021 nan 8.180 nan 0.000 0.663 367 L N 2.402 123.449 121.223 -0.294 0.000 2.287 367 L HA 0.372 4.634 4.340 -0.130 0.000 0.280 367 L C -1.231 175.532 176.870 -0.178 0.000 1.055 367 L CA -0.753 53.864 54.840 -0.372 0.000 0.863 367 L CB 0.185 41.633 42.059 -1.020 0.000 1.245 367 L HN -0.222 nan 8.230 nan 0.000 0.432 368 Y N 3.892 124.294 120.300 0.169 0.000 2.334 368 Y HA 0.360 4.834 4.550 -0.126 0.000 0.328 368 Y C 0.403 176.446 175.900 0.239 0.000 1.130 368 Y CA -0.489 57.701 58.100 0.151 0.000 1.163 368 Y CB 1.635 40.169 38.460 0.123 0.000 1.207 368 Y HN 0.358 nan 8.280 nan 0.000 0.471 369 I N 4.436 125.191 120.570 0.308 0.000 2.294 369 I HA 0.178 4.270 4.170 -0.130 0.000 0.295 369 I C -0.812 175.486 176.117 0.302 0.000 1.098 369 I CA -0.214 61.319 61.300 0.388 0.000 1.277 369 I CB 0.073 38.265 38.000 0.321 0.000 1.434 369 I HN 0.278 nan 8.210 nan 0.000 0.498 370 V N 8.121 128.222 119.914 0.311 0.000 2.467 370 V HA 0.182 4.223 4.120 -0.130 0.000 0.260 370 V C -1.829 174.117 176.094 -0.247 0.000 0.963 370 V CA -0.912 61.442 62.300 0.089 0.000 0.856 370 V CB 0.928 32.844 31.823 0.155 0.000 1.087 370 V HN 0.521 nan 8.190 nan 0.000 0.467 371 P HA -0.176 nan 4.420 nan 0.000 0.218 371 P C 1.733 178.695 177.300 -0.565 0.000 1.148 371 P CA 1.242 63.710 63.100 -1.053 0.000 0.822 371 P CB 0.115 31.473 31.700 -0.570 0.000 0.784 372 R N -0.698 119.633 120.500 -0.281 0.000 2.152 372 R HA -0.023 4.239 4.340 -0.130 0.000 0.232 372 R C 2.304 178.474 176.300 -0.217 0.000 1.117 372 R CA 1.766 57.751 56.100 -0.192 0.000 0.981 372 R CB -1.914 28.328 30.300 -0.095 0.000 0.870 372 R HN 0.103 nan 8.270 nan 0.000 0.451 373 G N 1.285 109.999 108.800 -0.143 0.000 2.443 373 G HA2 -0.274 3.607 3.960 -0.130 0.000 0.219 373 G HA3 -0.274 3.607 3.960 -0.130 0.000 0.219 373 G C 1.358 176.043 174.900 -0.359 0.000 1.131 373 G CA 0.731 45.743 45.100 -0.146 0.000 0.775 373 G HN 0.330 nan 8.290 nan 0.000 0.547 374 M N 0.548 119.998 119.600 -0.251 0.000 2.108 374 M HA 0.018 4.420 4.480 -0.130 0.000 0.261 374 M C 2.351 178.477 176.300 -0.291 0.000 1.066 374 M CA 1.750 56.876 55.300 -0.290 0.000 1.107 374 M CB -0.321 32.278 32.600 -0.001 0.000 1.356 374 M HN 0.222 nan 8.290 nan 0.000 0.406 375 R N -0.916 119.424 120.500 -0.267 0.000 2.073 375 R HA -0.062 4.200 4.340 -0.130 0.000 0.229 375 R C 2.003 178.097 176.300 -0.342 0.000 1.120 375 R CA 1.779 57.739 56.100 -0.233 0.000 0.967 375 R CB -0.262 29.930 30.300 -0.180 0.000 0.862 375 R HN 0.452 nan 8.270 nan 0.000 0.436 376 S N 1.077 116.450 115.700 -0.545 0.000 2.368 376 S HA -0.142 4.250 4.470 -0.130 0.000 0.225 376 S C 1.679 175.609 174.600 -1.116 0.000 1.030 376 S CA 1.086 58.783 58.200 -0.838 0.000 0.999 376 S CB -0.281 62.194 63.200 -1.209 0.000 0.844 376 S HN 0.271 nan 8.310 nan 0.000 0.459 377 L N 1.492 122.071 121.223 -1.073 0.000 2.056 377 L HA 0.038 4.300 4.340 -0.130 0.000 0.207 377 L C 2.077 178.836 176.870 -0.185 0.000 1.078 377 L CA 1.700 56.189 54.840 -0.584 0.000 0.749 377 L CB -0.668 41.175 42.059 -0.360 0.000 0.901 377 L HN 0.179 nan 8.230 nan 0.000 0.433 378 M N -0.512 118.979 119.600 -0.183 0.000 2.149 378 M HA -0.206 4.195 4.480 -0.130 0.000 0.261 378 M C 2.051 178.337 176.300 -0.024 0.000 1.064 378 M CA 1.627 56.900 55.300 -0.045 0.000 1.102 378 M CB -1.646 30.933 32.600 -0.036 0.000 1.369 378 M HN 0.397 nan 8.290 nan 0.000 0.408 379 N N -0.905 117.744 118.700 -0.084 0.000 2.270 379 N HA -0.174 4.488 4.740 -0.130 0.000 0.181 379 N C 1.625 177.144 175.510 0.014 0.000 1.016 379 N CA 0.825 53.849 53.050 -0.044 0.000 0.870 379 N CB -0.316 38.129 38.487 -0.070 0.000 0.979 379 N HN 0.316 nan 8.380 nan 0.000 0.431 380 Y N 1.056 121.309 120.300 -0.078 0.000 2.181 380 Y HA -0.168 4.301 4.550 -0.135 0.000 0.288 380 Y C 1.957 177.893 175.900 0.059 0.000 1.146 380 Y CA 1.149 59.284 58.100 0.059 0.000 1.164 380 Y CB -0.280 38.330 38.460 0.249 0.000 0.982 380 Y HN -0.162 nan 8.280 nan 0.000 0.515 381 V N 1.019 121.063 119.914 0.217 0.000 2.358 381 V HA -0.298 3.744 4.120 -0.130 0.000 0.246 381 V C 2.415 178.537 176.094 0.046 0.000 1.047 381 V CA 2.239 64.662 62.300 0.205 0.000 1.035 381 V CB -0.754 31.230 31.823 0.268 0.000 0.658 381 V HN 0.354 nan 8.190 nan 0.000 0.452 382 K N 0.304 120.715 120.400 0.018 0.000 2.020 382 K HA -0.262 3.980 4.320 -0.130 0.000 0.212 382 K C 2.116 178.671 176.600 -0.075 0.000 1.050 382 K CA 2.276 58.554 56.287 -0.015 0.000 0.929 382 K CB -0.150 32.346 32.500 -0.007 0.000 0.714 382 K HN 0.616 nan 8.250 nan 0.000 0.443 383 E N -0.282 119.844 120.200 -0.123 0.000 2.072 383 E HA -0.158 4.114 4.350 -0.130 0.000 0.190 383 E C 2.301 178.751 176.600 -0.251 0.000 0.982 383 E CA 0.683 56.992 56.400 -0.153 0.000 0.803 383 E CB -0.065 29.554 29.700 -0.135 0.000 0.755 383 E HN 0.271 nan 8.360 nan 0.000 0.453 384 R N 0.120 120.344 120.500 -0.460 0.000 2.090 384 R HA -0.098 4.164 4.340 -0.130 0.000 0.228 384 R C 0.895 176.848 176.300 -0.578 0.000 1.110 384 R CA 1.163 56.862 56.100 -0.668 0.000 0.973 384 R CB 0.132 29.724 30.300 -1.181 0.000 0.869 384 R HN 0.185 nan 8.270 nan 0.000 0.440 385 Y N 0.524 120.692 120.300 -0.220 0.000 2.555 385 Y HA 0.320 4.793 4.550 -0.129 0.000 0.259 385 Y C -0.253 175.437 175.900 -0.349 0.000 1.179 385 Y CA -0.726 57.088 58.100 -0.477 0.000 1.230 385 Y CB 0.327 38.145 38.460 -1.069 0.000 1.146 385 Y HN 0.071 nan 8.280 nan 0.000 0.526 386 N N 0.419 119.084 118.700 -0.059 0.000 2.780 386 N HA -0.219 4.442 4.740 -0.130 0.000 0.247 386 N C 0.157 175.670 175.510 0.004 0.000 1.076 386 N CA 1.013 54.062 53.050 -0.003 0.000 0.688 386 N CB -1.452 37.070 38.487 0.058 0.000 0.957 386 N HN 0.259 nan 8.380 nan 0.000 0.551 387 S N -1.592 114.103 115.700 -0.008 0.000 3.608 387 S HA -0.144 4.248 4.470 -0.130 0.000 0.382 387 S C -1.816 172.816 174.600 0.052 0.000 0.945 387 S CA 0.298 58.511 58.200 0.022 0.000 1.256 387 S CB -0.352 62.863 63.200 0.025 0.000 0.913 387 S HN 0.493 nan 8.310 nan 0.000 0.518 388 P HA 0.394 nan 4.420 nan 0.000 0.276 388 P C -2.729 174.660 177.300 0.148 0.000 1.244 388 P CA -1.610 61.572 63.100 0.136 0.000 0.801 388 P CB -0.182 31.622 31.700 0.173 0.000 1.006 389 P HA 0.099 nan 4.420 nan 0.000 0.267 389 P C -0.585 176.839 177.300 0.207 0.000 1.205 389 P CA 0.330 63.520 63.100 0.151 0.000 0.765 389 P CB 0.297 32.115 31.700 0.197 0.000 0.828 390 V N 4.801 124.770 119.914 0.092 0.000 2.680 390 V HA 0.403 4.444 4.120 -0.130 0.000 0.309 390 V C -0.713 175.357 176.094 -0.041 0.000 1.052 390 V CA -0.509 61.885 62.300 0.157 0.000 0.908 390 V CB 1.491 33.411 31.823 0.161 0.000 1.001 390 V HN 0.380 nan 8.190 nan 0.000 0.431 391 Y N 3.253 123.630 120.300 0.128 0.000 2.409 391 Y HA 0.535 5.007 4.550 -0.131 0.000 0.343 391 Y C 0.139 176.108 175.900 0.114 0.000 0.973 391 Y CA -1.080 57.041 58.100 0.035 0.000 1.064 391 Y CB 1.793 40.198 38.460 -0.091 0.000 1.207 391 Y HN 0.355 nan 8.280 nan 0.000 0.452 392 I N 3.690 124.423 120.570 0.273 0.000 2.372 392 I HA 0.003 4.095 4.170 -0.130 0.000 0.298 392 I C 1.267 177.489 176.117 0.175 0.000 1.137 392 I CA 0.137 61.572 61.300 0.225 0.000 1.314 392 I CB -0.327 37.841 38.000 0.279 0.000 1.444 392 I HN 0.772 nan 8.210 nan 0.000 0.541 393 T N 2.293 116.915 114.554 0.114 0.000 3.067 393 T HA 0.166 4.438 4.350 -0.130 0.000 0.261 393 T C 0.569 175.258 174.700 -0.019 0.000 1.110 393 T CA 0.297 62.381 62.100 -0.026 0.000 1.113 393 T CB 0.222 69.029 68.868 -0.102 0.000 0.917 393 T HN 0.565 nan 8.240 nan 0.000 0.499 394 E N 0.512 120.702 120.200 -0.017 0.000 2.335 394 E HA 0.570 4.842 4.350 -0.130 0.000 0.280 394 E C -1.610 174.845 176.600 -0.241 0.000 0.918 394 E CA -0.829 55.551 56.400 -0.032 0.000 0.765 394 E CB 1.787 31.485 29.700 -0.002 0.000 1.218 394 E HN 0.181 nan 8.360 nan 0.000 0.425 395 N N 1.062 119.640 118.700 -0.203 0.000 2.431 395 N HA 0.670 5.331 4.740 -0.130 0.000 0.275 395 N C -1.205 174.429 175.510 0.207 0.000 1.091 395 N CA -0.046 52.868 53.050 -0.225 0.000 0.922 395 N CB 2.133 40.664 38.487 0.074 0.000 1.666 395 N HN 0.667 nan 8.380 nan 0.000 0.484 396 G N 0.773 109.694 108.800 0.203 0.000 2.325 396 G HA2 0.522 4.404 3.960 -0.130 0.000 0.295 396 G HA3 0.522 4.404 3.960 -0.130 0.000 0.295 396 G C -1.670 173.132 174.900 -0.162 0.000 1.274 396 G CA -0.230 44.998 45.100 0.212 0.000 0.857 396 G HN 0.854 nan 8.290 nan 0.000 0.499 397 M N -0.828 118.695 119.600 -0.127 0.000 2.721 397 M HA 0.738 5.139 4.480 -0.130 0.000 0.271 397 M C -2.211 173.783 176.300 -0.509 0.000 1.259 397 M CA -0.974 54.092 55.300 -0.390 0.000 0.835 397 M CB 2.581 34.656 32.600 -0.876 0.000 1.689 397 M HN 0.599 nan 8.290 nan 0.000 0.470 398 D N -0.262 119.595 120.400 -0.905 0.000 2.342 398 D HA 0.537 5.098 4.640 -0.130 0.000 0.243 398 D C -1.497 174.513 176.300 -0.484 0.000 1.019 398 D CA -0.314 53.091 54.000 -0.993 0.000 0.864 398 D CB 1.496 41.283 40.800 -1.689 0.000 1.315 398 D HN 0.627 nan 8.370 nan 0.000 0.468 399 D N -0.086 120.133 120.400 -0.303 0.000 2.332 399 D HA 0.256 4.818 4.640 -0.130 0.000 0.252 399 D C 0.479 176.699 176.300 -0.133 0.000 1.050 399 D CA -0.335 53.568 54.000 -0.161 0.000 0.970 399 D CB 1.377 42.143 40.800 -0.057 0.000 1.141 399 D HN 0.521 nan 8.370 nan 0.000 0.485 400 S N 0.460 116.115 115.700 -0.074 0.000 2.608 400 S HA 0.083 4.475 4.470 -0.130 0.000 0.261 400 S C 0.224 174.833 174.600 0.015 0.000 1.314 400 S CA -0.760 57.419 58.200 -0.035 0.000 0.992 400 S CB 0.650 63.843 63.200 -0.011 0.000 0.935 400 S HN 0.410 nan 8.310 nan 0.000 0.564 401 N N 1.669 120.387 118.700 0.031 0.000 2.589 401 N HA 0.211 4.872 4.740 -0.130 0.000 0.232 401 N C -1.451 174.075 175.510 0.027 0.000 1.015 401 N CA -0.327 52.763 53.050 0.065 0.000 0.931 401 N CB -0.089 38.450 38.487 0.087 0.000 1.150 401 N HN 0.657 nan 8.380 nan 0.000 0.512 402 N N 4.568 123.288 118.700 0.033 0.000 2.558 402 N HA 0.368 5.029 4.740 -0.130 0.000 0.242 402 N C -1.936 173.501 175.510 -0.122 0.000 0.979 402 N CA -2.007 51.025 53.050 -0.031 0.000 0.931 402 N CB 1.458 39.969 38.487 0.039 0.000 1.122 402 N HN 0.373 nan 8.380 nan 0.000 0.508 403 P HA 0.053 nan 4.420 nan 0.000 0.241 403 P C 0.194 177.250 177.300 -0.407 0.000 1.191 403 P CA 0.503 63.353 63.100 -0.417 0.000 0.771 403 P CB -0.001 31.357 31.700 -0.571 0.000 0.929 404 F N 0.725 120.695 119.950 0.033 0.000 2.732 404 F HA 0.274 4.722 4.527 -0.131 0.000 0.303 404 F C 1.447 177.249 175.800 0.003 0.000 1.110 404 F CA -0.715 57.295 58.000 0.017 0.000 1.355 404 F CB -0.524 38.486 39.000 0.016 0.000 1.081 404 F HN -0.098 nan 8.300 nan 0.000 0.565 405 I N -2.956 117.668 120.570 0.091 0.000 2.892 405 I HA 0.655 4.747 4.170 -0.130 0.000 0.306 405 I C 0.254 176.355 176.117 -0.026 0.000 1.078 405 I CA -1.267 60.055 61.300 0.036 0.000 1.032 405 I CB 1.907 39.921 38.000 0.022 0.000 1.229 405 I HN -0.121 nan 8.210 nan 0.000 0.435 406 S N 3.374 119.039 115.700 -0.059 0.000 2.593 406 S HA 0.352 4.744 4.470 -0.130 0.000 0.269 406 S C 0.992 175.458 174.600 -0.224 0.000 1.334 406 S CA -0.597 57.532 58.200 -0.117 0.000 1.015 406 S CB 1.118 64.251 63.200 -0.111 0.000 0.912 406 S HN 0.706 nan 8.310 nan 0.000 0.541 407 I N 1.276 121.645 120.570 -0.335 0.000 2.163 407 I HA -0.212 3.880 4.170 -0.130 0.000 0.243 407 I C 2.627 178.396 176.117 -0.580 0.000 1.085 407 I CA 1.505 62.414 61.300 -0.651 0.000 1.347 407 I CB -0.462 37.071 38.000 -0.778 0.000 1.044 407 I HN 0.759 nan 8.210 nan 0.000 0.408 408 K N 0.541 120.707 120.400 -0.389 0.000 2.074 408 K HA -0.240 4.002 4.320 -0.130 0.000 0.209 408 K C 1.667 178.136 176.600 -0.218 0.000 1.048 408 K CA 1.922 58.044 56.287 -0.276 0.000 0.926 408 K CB -0.217 32.173 32.500 -0.183 0.000 0.713 408 K HN 0.302 nan 8.250 nan 0.000 0.444 409 D N 0.054 120.342 120.400 -0.186 0.000 2.183 409 D HA -0.048 4.514 4.640 -0.130 0.000 0.203 409 D C 1.698 177.915 176.300 -0.138 0.000 0.969 409 D CA 0.893 54.816 54.000 -0.128 0.000 0.842 409 D CB -0.093 40.656 40.800 -0.085 0.000 0.957 409 D HN 0.199 nan 8.370 nan 0.000 0.484 410 A N 0.562 123.252 122.820 -0.216 0.000 2.019 410 A HA -0.092 4.150 4.320 -0.130 0.000 0.219 410 A C 2.160 179.647 177.584 -0.160 0.000 1.164 410 A CA 0.728 52.649 52.037 -0.193 0.000 0.644 410 A CB -0.586 18.202 19.000 -0.353 0.000 0.805 410 A HN 0.239 nan 8.150 nan 0.000 0.449 411 L N -1.092 119.994 121.223 -0.228 0.000 2.478 411 L HA -0.017 4.245 4.340 -0.130 0.000 0.223 411 L C 0.547 177.377 176.870 -0.067 0.000 1.140 411 L CA 0.572 55.332 54.840 -0.134 0.000 0.842 411 L CB -0.288 41.673 42.059 -0.163 0.000 0.953 411 L HN 0.250 nan 8.230 nan 0.000 0.452 412 K N 2.004 122.363 120.400 -0.068 0.000 2.502 412 K HA 0.026 4.268 4.320 -0.130 0.000 0.244 412 K C -0.168 176.413 176.600 -0.031 0.000 1.249 412 K CA -0.206 56.055 56.287 -0.043 0.000 1.193 412 K CB -0.223 32.251 32.500 -0.044 0.000 1.674 412 K HN 0.114 nan 8.250 nan 0.000 0.302 413 D N 0.960 121.347 120.400 -0.021 0.000 2.994 413 D HA -0.063 4.499 4.640 -0.130 0.000 0.240 413 D C 0.937 177.217 176.300 -0.034 0.000 1.195 413 D CA -0.294 53.696 54.000 -0.017 0.000 0.957 413 D CB 0.443 41.247 40.800 0.007 0.000 1.105 413 D HN 0.203 nan 8.370 nan 0.000 0.477 414 S N 0.568 116.244 115.700 -0.040 0.000 2.400 414 S HA -0.281 4.111 4.470 -0.130 0.000 0.232 414 S C 1.730 176.293 174.600 -0.062 0.000 1.025 414 S CA 0.750 58.916 58.200 -0.057 0.000 0.993 414 S CB -0.263 62.913 63.200 -0.039 0.000 0.808 414 S HN 0.372 nan 8.310 nan 0.000 0.478 415 K N 1.438 121.814 120.400 -0.040 0.000 2.026 415 K HA -0.112 4.130 4.320 -0.130 0.000 0.208 415 K C 2.623 179.215 176.600 -0.014 0.000 1.048 415 K CA 1.294 57.566 56.287 -0.025 0.000 0.929 415 K CB -0.249 32.233 32.500 -0.030 0.000 0.713 415 K HN 0.474 nan 8.250 nan 0.000 0.439 416 R N 0.822 121.307 120.500 -0.025 0.000 2.091 416 R HA -0.132 4.130 4.340 -0.130 0.000 0.238 416 R C 2.247 178.554 176.300 0.012 0.000 1.136 416 R CA 1.617 57.731 56.100 0.022 0.000 0.959 416 R CB -0.322 30.023 30.300 0.076 0.000 0.856 416 R HN 0.211 nan 8.270 nan 0.000 0.437 417 I N 1.022 121.500 120.570 -0.154 0.000 2.163 417 I HA -0.318 3.774 4.170 -0.130 0.000 0.243 417 I C 2.674 178.486 176.117 -0.508 0.000 1.085 417 I CA 1.628 62.612 61.300 -0.527 0.000 1.347 417 I CB -0.281 37.371 38.000 -0.579 0.000 1.044 417 I HN 0.281 nan 8.210 nan 0.000 0.408 418 K N 0.170 120.436 120.400 -0.224 0.000 2.097 418 K HA -0.259 3.983 4.320 -0.130 0.000 0.206 418 K C 2.346 178.937 176.600 -0.015 0.000 1.049 418 K CA 1.500 57.719 56.287 -0.113 0.000 0.933 418 K CB -0.283 32.195 32.500 -0.037 0.000 0.717 418 K HN 0.201 nan 8.250 nan 0.000 0.442 419 Y N 1.202 121.448 120.300 -0.091 0.000 2.030 419 Y HA -0.332 4.139 4.550 -0.131 0.000 0.274 419 Y C 2.057 177.944 175.900 -0.022 0.000 1.153 419 Y CA 2.495 60.572 58.100 -0.039 0.000 1.115 419 Y CB -0.563 37.781 38.460 -0.194 0.000 0.969 419 Y HN 0.270 nan 8.280 nan 0.000 0.488 420 H N -1.080 118.122 119.070 0.220 0.000 2.352 420 H HA -0.160 4.318 4.556 -0.130 0.000 0.299 420 H C 2.098 177.465 175.328 0.065 0.000 1.097 420 H CA 1.756 57.912 56.048 0.179 0.000 1.311 420 H CB -0.396 29.450 29.762 0.140 0.000 1.377 420 H HN 0.428 nan 8.280 nan 0.000 0.504 421 N N 0.127 118.787 118.700 -0.067 0.000 2.069 421 N HA -0.162 4.500 4.740 -0.130 0.000 0.191 421 N C 1.213 176.804 175.510 0.135 0.000 1.031 421 N CA 1.824 54.949 53.050 0.125 0.000 0.852 421 N CB 0.028 38.537 38.487 0.037 0.000 1.018 421 N HN 0.232 nan 8.380 nan 0.000 0.423 422 D N -1.122 119.320 120.400 0.069 0.000 2.137 422 D HA -0.085 4.477 4.640 -0.130 0.000 0.202 422 D C 1.534 177.839 176.300 0.008 0.000 0.970 422 D CA 0.881 54.894 54.000 0.021 0.000 0.837 422 D CB -0.431 40.356 40.800 -0.022 0.000 0.981 422 D HN 0.376 nan 8.370 nan 0.000 0.475 423 Y N 0.883 121.115 120.300 -0.114 0.000 2.200 423 Y HA -0.031 4.440 4.550 -0.131 0.000 0.290 423 Y C 2.393 178.336 175.900 0.072 0.000 1.137 423 Y CA 0.662 58.733 58.100 -0.049 0.000 1.163 423 Y CB -0.461 37.935 38.460 -0.106 0.000 0.988 423 Y HN -0.067 nan 8.280 nan 0.000 0.518 424 L N -1.168 120.209 121.223 0.257 0.000 2.141 424 L HA -0.208 4.054 4.340 -0.130 0.000 0.209 424 L C 2.230 179.225 176.870 0.207 0.000 1.094 424 L CA 1.489 56.472 54.840 0.238 0.000 0.763 424 L CB -0.701 41.500 42.059 0.238 0.000 0.908 424 L HN 0.191 nan 8.230 nan 0.000 0.437 425 T N -0.703 113.919 114.554 0.113 0.000 2.746 425 T HA -0.162 4.110 4.350 -0.130 0.000 0.267 425 T C 1.596 176.269 174.700 -0.045 0.000 1.039 425 T CA 1.706 63.810 62.100 0.007 0.000 1.142 425 T CB -0.281 68.588 68.868 0.002 0.000 0.866 425 T HN 0.350 nan 8.240 nan 0.000 0.444 426 N N 0.666 119.345 118.700 -0.035 0.000 2.188 426 N HA 0.019 4.680 4.740 -0.130 0.000 0.184 426 N C 1.590 177.076 175.510 -0.039 0.000 1.018 426 N CA 0.391 53.399 53.050 -0.071 0.000 0.858 426 N CB -0.298 38.111 38.487 -0.129 0.000 0.989 426 N HN 0.104 nan 8.380 nan 0.000 0.426 427 L N 0.987 122.239 121.223 0.049 0.000 1.989 427 L HA -0.097 4.165 4.340 -0.130 0.000 0.211 427 L C 2.051 178.927 176.870 0.011 0.000 1.071 427 L CA 1.640 56.550 54.840 0.117 0.000 0.749 427 L CB -0.996 41.238 42.059 0.292 0.000 0.890 427 L HN 0.173 nan 8.230 nan 0.000 0.431 428 A N -0.747 121.985 122.820 -0.147 0.000 1.908 428 A HA -0.163 4.078 4.320 -0.130 0.000 0.218 428 A C 2.439 179.842 177.584 -0.302 0.000 1.181 428 A CA 2.036 53.755 52.037 -0.530 0.000 0.627 428 A CB -1.206 17.263 19.000 -0.884 0.000 0.818 428 A HN 0.572 nan 8.150 nan 0.000 0.445 429 A N 0.284 122.987 122.820 -0.195 0.000 1.933 429 A HA -0.105 4.137 4.320 -0.130 0.000 0.218 429 A C 2.524 180.045 177.584 -0.104 0.000 1.175 429 A CA 2.407 54.360 52.037 -0.139 0.000 0.628 429 A CB -1.019 17.915 19.000 -0.111 0.000 0.814 429 A HN 1.072 nan 8.150 nan 0.000 0.444 430 S N 0.040 115.689 115.700 -0.084 0.000 2.382 430 S HA -0.133 4.258 4.470 -0.130 0.000 0.228 430 S C 1.864 176.438 174.600 -0.044 0.000 1.027 430 S CA 1.472 59.636 58.200 -0.060 0.000 0.991 430 S CB -0.719 62.454 63.200 -0.045 0.000 0.823 430 S HN 0.490 nan 8.310 nan 0.000 0.469 431 I N 1.532 122.072 120.570 -0.050 0.000 2.162 431 I HA -0.073 4.019 4.170 -0.130 0.000 0.238 431 I C 2.853 178.935 176.117 -0.059 0.000 1.076 431 I CA 1.575 62.853 61.300 -0.036 0.000 1.353 431 I CB -0.277 37.699 38.000 -0.040 0.000 1.063 431 I HN 0.307 nan 8.210 nan 0.000 0.408 432 K N 0.504 120.842 120.400 -0.104 0.000 2.076 432 K HA -0.119 4.122 4.320 -0.130 0.000 0.204 432 K C 1.966 178.524 176.600 -0.071 0.000 1.051 432 K CA 1.148 57.377 56.287 -0.097 0.000 0.949 432 K CB 0.232 32.648 32.500 -0.140 0.000 0.726 432 K HN 0.156 nan 8.250 nan 0.000 0.443 433 E N 0.516 120.672 120.200 -0.073 0.000 2.166 433 E HA -0.054 4.218 4.350 -0.130 0.000 0.192 433 E C 1.052 177.626 176.600 -0.044 0.000 0.967 433 E CA 0.804 57.170 56.400 -0.056 0.000 0.840 433 E CB 0.201 29.865 29.700 -0.060 0.000 0.795 433 E HN 0.352 nan 8.360 nan 0.000 0.470 434 D N -0.499 119.875 120.400 -0.045 0.000 2.367 434 D HA 0.129 4.691 4.640 -0.130 0.000 0.207 434 D C 1.059 177.345 176.300 -0.023 0.000 1.034 434 D CA 0.800 54.779 54.000 -0.035 0.000 0.861 434 D CB 0.749 41.523 40.800 -0.043 0.000 0.943 434 D HN 0.253 nan 8.370 nan 0.000 0.515 435 G N 0.667 109.455 108.800 -0.020 0.000 2.143 435 G HA2 -0.301 3.581 3.960 -0.130 0.000 0.248 435 G HA3 -0.301 3.581 3.960 -0.130 0.000 0.248 435 G C 0.406 175.309 174.900 0.005 0.000 0.991 435 G CA 0.097 45.193 45.100 -0.006 0.000 0.689 435 G HN 0.373 nan 8.290 nan 0.000 0.522 436 C N 0.646 119.950 119.300 0.006 0.000 2.593 436 C HA 0.448 4.830 4.460 -0.130 0.000 0.409 436 C C 0.854 175.870 174.990 0.043 0.000 1.304 436 C CA -0.366 58.666 59.018 0.024 0.000 2.007 436 C CB 1.018 28.773 27.740 0.024 0.000 2.614 436 C HN 0.505 nan 8.230 nan 0.000 0.585 437 D N 2.545 122.974 120.400 0.049 0.000 2.517 437 D HA 0.283 4.845 4.640 -0.130 0.000 0.220 437 D C -0.360 175.967 176.300 0.044 0.000 1.158 437 D CA 0.135 54.165 54.000 0.049 0.000 0.992 437 D CB 0.206 41.035 40.800 0.047 0.000 1.058 437 D HN 0.305 nan 8.370 nan 0.000 0.516 438 V N 4.718 124.684 119.914 0.086 0.000 2.427 438 V HA 0.389 4.431 4.120 -0.130 0.000 0.286 438 V C 1.366 177.496 176.094 0.060 0.000 1.034 438 V CA -0.662 61.697 62.300 0.098 0.000 0.893 438 V CB 1.843 33.822 31.823 0.260 0.000 0.982 438 V HN 0.347 nan 8.190 nan 0.000 0.452 439 R N 2.527 122.792 120.500 -0.391 0.000 2.316 439 R HA 0.409 4.670 4.340 -0.130 0.000 0.201 439 R C 0.589 176.179 176.300 -1.183 0.000 0.888 439 R CA 0.610 56.296 56.100 -0.690 0.000 1.041 439 R CB 1.420 31.084 30.300 -1.060 0.000 1.115 439 R HN 0.829 nan 8.270 nan 0.000 0.559 440 G N -0.216 107.851 108.800 -1.222 0.000 2.559 440 G HA2 0.404 4.286 3.960 -0.130 0.000 0.291 440 G HA3 0.404 4.286 3.960 -0.130 0.000 0.291 440 G C -2.278 172.297 174.900 -0.542 0.000 1.424 440 G CA -0.505 43.831 45.100 -1.273 0.000 0.786 440 G HN 0.035 nan 8.290 nan 0.000 0.485 441 Y N -0.244 119.645 120.300 -0.685 0.000 2.441 441 Y HA 0.719 5.190 4.550 -0.131 0.000 0.334 441 Y C -1.995 173.696 175.900 -0.349 0.000 1.061 441 Y CA -1.330 56.653 58.100 -0.194 0.000 1.032 441 Y CB 1.788 40.248 38.460 0.000 0.000 1.266 441 Y HN 0.450 nan 8.280 nan 0.000 0.441 442 F N 4.862 124.528 119.950 -0.472 0.000 2.499 442 F HA 0.721 5.170 4.527 -0.131 0.000 0.333 442 F C 0.148 175.726 175.800 -0.369 0.000 1.138 442 F CA -0.810 57.005 58.000 -0.308 0.000 0.945 442 F CB 1.794 40.650 39.000 -0.240 0.000 1.181 442 F HN 0.682 nan 8.300 nan 0.000 0.435 443 A N 4.191 126.979 122.820 -0.053 0.000 2.409 443 A HA 0.156 4.398 4.320 -0.130 0.000 0.262 443 A C -0.801 176.905 177.584 0.203 0.000 1.113 443 A CA -0.400 51.690 52.037 0.090 0.000 0.790 443 A CB 0.301 19.258 19.000 -0.073 0.000 1.046 443 A HN 0.875 nan 8.150 nan 0.000 0.496 444 W N 3.707 125.102 121.300 0.157 0.000 2.342 444 W HA 0.502 5.085 4.660 -0.129 0.000 0.310 444 W C -0.385 176.325 176.519 0.319 0.000 1.128 444 W CA 0.025 57.481 57.345 0.185 0.000 1.322 444 W CB 1.355 30.915 29.460 0.166 0.000 1.251 444 W HN 0.693 nan 8.180 nan 0.000 0.439 445 S N 3.799 119.409 115.700 -0.150 0.000 2.685 445 S HA 0.290 4.682 4.470 -0.130 0.000 0.282 445 S C 0.296 174.813 174.600 -0.138 0.000 1.159 445 S CA -0.705 57.156 58.200 -0.565 0.000 0.833 445 S CB 1.431 63.810 63.200 -1.368 0.000 1.151 445 S HN 0.511 nan 8.310 nan 0.000 0.485 446 L N 2.107 123.319 121.223 -0.018 0.000 2.017 446 L HA 0.384 4.646 4.340 -0.130 0.000 0.208 446 L C -0.089 176.910 176.870 0.215 0.000 1.073 446 L CA 1.909 56.837 54.840 0.147 0.000 0.745 446 L CB -0.340 41.843 42.059 0.206 0.000 0.894 446 L HN 0.602 nan 8.230 nan 0.000 0.432 447 L N -0.636 120.687 121.223 0.166 0.000 2.323 447 L HA 0.382 4.643 4.340 -0.130 0.000 0.265 447 L C -0.586 176.232 176.870 -0.088 0.000 1.012 447 L CA -1.330 53.533 54.840 0.038 0.000 0.820 447 L CB 1.258 43.263 42.059 -0.091 0.000 1.334 447 L HN -0.145 nan 8.230 nan 0.000 0.427 448 D N 1.645 122.004 120.400 -0.069 0.000 2.449 448 D HA 0.174 4.736 4.640 -0.130 0.000 0.236 448 D C -0.479 175.771 176.300 -0.084 0.000 1.149 448 D CA 0.652 54.626 54.000 -0.043 0.000 0.878 448 D CB 0.572 41.312 40.800 -0.100 0.000 1.198 448 D HN 0.680 nan 8.370 nan 0.000 0.446 449 N N -0.872 117.852 118.700 0.040 0.000 3.277 449 N HA 0.284 4.946 4.740 -0.130 0.000 0.278 449 N C -1.770 173.817 175.510 0.128 0.000 1.544 449 N CA -1.033 52.003 53.050 -0.024 0.000 0.869 449 N CB 0.360 38.583 38.487 -0.440 0.000 1.584 449 N HN 0.401 nan 8.380 nan 0.000 0.564 450 W N 1.335 122.499 121.300 -0.227 0.000 2.416 450 W HA 0.370 4.952 4.660 -0.129 0.000 0.318 450 W C -0.317 175.905 176.519 -0.495 0.000 1.150 450 W CA -0.342 56.685 57.345 -0.530 0.000 1.392 450 W CB 0.537 29.608 29.460 -0.649 0.000 1.311 450 W HN 0.353 nan 8.180 nan 0.000 0.436 451 E N 6.971 126.819 120.200 -0.587 0.000 2.392 451 E HA -0.013 4.259 4.350 -0.130 0.000 0.307 451 E C 0.018 176.264 176.600 -0.591 0.000 1.505 451 E CA 0.022 56.159 56.400 -0.438 0.000 1.716 451 E CB -0.769 28.937 29.700 0.010 0.000 1.450 451 E HN 0.682 nan 8.360 nan 0.000 0.484 452 W N 0.792 121.520 121.300 -0.953 0.000 2.152 452 W HA -0.445 4.137 4.660 -0.129 0.000 0.285 452 W C 1.876 177.866 176.519 -0.881 0.000 1.275 452 W CA 0.813 57.561 57.345 -0.994 0.000 1.220 452 W CB -1.606 27.646 29.460 -0.346 0.000 0.889 452 W HN 0.373 nan 8.180 nan 0.000 0.529 453 A N 0.444 123.321 122.820 0.096 0.000 2.172 453 A HA 0.304 4.546 4.320 -0.130 0.000 0.216 453 A C 1.746 179.268 177.584 -0.103 0.000 1.154 453 A CA 2.244 54.333 52.037 0.088 0.000 0.701 453 A CB -1.078 18.048 19.000 0.211 0.000 0.789 453 A HN 1.056 nan 8.150 nan 0.000 0.465 454 A N -1.245 121.484 122.820 -0.151 0.000 2.218 454 A HA 0.443 4.685 4.320 -0.130 0.000 0.209 454 A C 1.794 179.200 177.584 -0.297 0.000 1.168 454 A CA 1.267 53.218 52.037 -0.145 0.000 0.804 454 A CB -1.036 17.956 19.000 -0.012 0.000 0.834 454 A HN 1.793 nan 8.150 nan 0.000 0.482 455 G N -0.471 107.936 108.800 -0.655 0.000 2.614 455 G HA2 -0.376 3.506 3.960 -0.130 0.000 0.303 455 G HA3 -0.376 3.506 3.960 -0.130 0.000 0.303 455 G C 0.442 174.944 174.900 -0.663 0.000 1.270 455 G CA 0.897 45.466 45.100 -0.885 0.000 0.988 455 G HN 0.621 nan 8.290 nan 0.000 0.551 456 Y N 1.819 122.047 120.300 -0.121 0.000 2.470 456 Y HA 0.326 4.798 4.550 -0.130 0.000 0.284 456 Y C 2.725 178.571 175.900 -0.091 0.000 1.188 456 Y CA 0.833 58.831 58.100 -0.170 0.000 1.269 456 Y CB 0.265 38.453 38.460 -0.452 0.000 1.094 456 Y HN 0.535 nan 8.280 nan 0.000 0.518 457 S N -1.641 114.064 115.700 0.008 0.000 2.522 457 S HA -0.003 4.389 4.470 -0.130 0.000 0.227 457 S C 0.820 175.427 174.600 0.012 0.000 0.986 457 S CA 0.118 58.328 58.200 0.017 0.000 0.929 457 S CB 0.054 63.250 63.200 -0.007 0.000 0.769 457 S HN 0.167 nan 8.310 nan 0.000 0.529 458 S N 0.991 116.705 115.700 0.023 0.000 2.519 458 S HA 0.535 4.927 4.470 -0.130 0.000 0.309 458 S C -0.838 173.799 174.600 0.061 0.000 1.100 458 S CA -0.877 57.327 58.200 0.007 0.000 1.059 458 S CB 0.886 64.126 63.200 0.065 0.000 1.008 458 S HN 0.419 nan 8.310 nan 0.000 0.478 459 R N 4.050 124.528 120.500 -0.036 0.000 2.278 459 R HA 0.315 4.576 4.340 -0.130 0.000 0.322 459 R C -0.566 175.697 176.300 -0.061 0.000 1.058 459 R CA -0.172 55.934 56.100 0.011 0.000 0.991 459 R CB 0.295 30.605 30.300 0.017 0.000 1.140 459 R HN 0.693 nan 8.270 nan 0.000 0.518 460 F N 0.212 120.208 119.950 0.077 0.000 2.765 460 F HA 0.170 4.618 4.527 -0.131 0.000 0.302 460 F C 1.756 177.581 175.800 0.042 0.000 1.111 460 F CA -0.172 57.892 58.000 0.107 0.000 1.359 460 F CB 0.695 39.851 39.000 0.261 0.000 1.097 460 F HN 0.486 nan 8.300 nan 0.000 0.577 461 G N 0.263 109.158 108.800 0.159 0.000 2.467 461 G HA2 0.264 4.146 3.960 -0.130 0.000 0.257 461 G HA3 0.264 4.146 3.960 -0.130 0.000 0.257 461 G C 0.948 175.918 174.900 0.115 0.000 1.227 461 G CA -0.491 44.671 45.100 0.105 0.000 0.835 461 G HN 0.207 nan 8.290 nan 0.000 0.556 462 L N 0.563 121.844 121.223 0.096 0.000 2.093 462 L HA 0.008 4.270 4.340 -0.130 0.000 0.208 462 L C 0.370 177.163 176.870 -0.128 0.000 1.085 462 L CA 0.783 55.629 54.840 0.009 0.000 0.755 462 L CB -0.355 41.675 42.059 -0.049 0.000 0.904 462 L HN 0.411 nan 8.230 nan 0.000 0.435 463 Y N -1.036 119.307 120.300 0.072 0.000 2.320 463 Y HA 0.242 4.714 4.550 -0.131 0.000 0.334 463 Y C 0.092 176.053 175.900 0.100 0.000 1.055 463 Y CA -1.060 57.095 58.100 0.091 0.000 1.143 463 Y CB 0.882 39.364 38.460 0.038 0.000 1.193 463 Y HN -0.170 nan 8.280 nan 0.000 0.477 464 F N 3.855 123.892 119.950 0.144 0.000 2.495 464 F HA 0.452 4.901 4.527 -0.131 0.000 0.365 464 F C -0.593 175.238 175.800 0.051 0.000 1.090 464 F CA -0.521 57.525 58.000 0.076 0.000 1.235 464 F CB 0.417 39.456 39.000 0.066 0.000 1.119 464 F HN 0.148 nan 8.300 nan 0.000 0.562 465 V N 5.824 125.307 119.914 -0.719 0.000 2.384 465 V HA 0.156 4.198 4.120 -0.130 0.000 0.287 465 V C -0.590 174.855 176.094 -1.081 0.000 1.020 465 V CA -0.868 61.004 62.300 -0.712 0.000 0.850 465 V CB 1.367 32.738 31.823 -0.754 0.000 0.987 465 V HN 0.615 nan 8.190 nan 0.000 0.436 466 D N 3.565 123.738 120.400 -0.379 0.000 2.422 466 D HA 0.179 4.740 4.640 -0.130 0.000 0.227 466 D C 0.495 176.650 176.300 -0.241 0.000 1.190 466 D CA -0.119 53.813 54.000 -0.114 0.000 0.905 466 D CB 0.631 41.616 40.800 0.308 0.000 1.034 466 D HN 0.493 nan 8.370 nan 0.000 0.507 467 Y N 2.113 122.334 120.300 -0.131 0.000 2.497 467 Y HA -0.025 4.446 4.550 -0.131 0.000 0.292 467 Y C 1.983 177.820 175.900 -0.104 0.000 1.137 467 Y CA 0.763 58.755 58.100 -0.180 0.000 1.285 467 Y CB 0.065 38.356 38.460 -0.281 0.000 0.991 467 Y HN 0.300 nan 8.280 nan 0.000 0.556 468 K N -0.775 119.673 120.400 0.080 0.000 2.367 468 K HA 0.001 4.243 4.320 -0.130 0.000 0.194 468 K C 0.026 176.652 176.600 0.044 0.000 1.027 468 K CA 0.478 56.800 56.287 0.058 0.000 1.075 468 K CB 0.413 32.950 32.500 0.063 0.000 0.845 468 K HN -0.025 nan 8.250 nan 0.000 0.529 469 D N 0.701 121.126 120.400 0.043 0.000 2.739 469 D HA 0.053 4.615 4.640 -0.130 0.000 0.335 469 D C -0.843 175.459 176.300 0.003 0.000 1.216 469 D CA -0.342 53.681 54.000 0.038 0.000 0.808 469 D CB -0.499 40.352 40.800 0.084 0.000 1.121 469 D HN -0.052 nan 8.370 nan 0.000 0.499 470 N N 2.190 120.883 118.700 -0.012 0.000 2.725 470 N HA -0.250 4.412 4.740 -0.130 0.000 0.251 470 N C -0.014 175.462 175.510 -0.056 0.000 1.031 470 N CA 0.912 53.943 53.050 -0.032 0.000 0.720 470 N CB -1.399 37.067 38.487 -0.035 0.000 0.930 470 N HN 0.592 nan 8.380 nan 0.000 0.543 471 L N -3.508 117.671 121.223 -0.074 0.000 3.843 471 L HA -0.346 3.915 4.340 -0.130 0.000 0.411 471 L C 0.649 177.433 176.870 -0.144 0.000 1.205 471 L CA 1.213 55.972 54.840 -0.135 0.000 0.945 471 L CB -1.585 40.416 42.059 -0.096 0.000 1.929 471 L HN 0.478 nan 8.230 nan 0.000 0.934 472 K N 1.166 121.499 120.400 -0.111 0.000 2.484 472 K HA 0.213 4.455 4.320 -0.130 0.000 0.280 472 K C 0.448 176.940 176.600 -0.180 0.000 1.013 472 K CA -0.037 56.149 56.287 -0.169 0.000 1.029 472 K CB 0.479 32.874 32.500 -0.174 0.000 0.902 472 K HN 0.067 nan 8.250 nan 0.000 0.481 473 R N 3.194 123.554 120.500 -0.233 0.000 2.254 473 R HA 0.257 4.519 4.340 -0.130 0.000 0.318 473 R C -1.202 175.021 176.300 -0.127 0.000 1.031 473 R CA -0.112 55.922 56.100 -0.109 0.000 0.905 473 R CB 0.626 30.824 30.300 -0.170 0.000 1.050 473 R HN 0.452 nan 8.270 nan 0.000 0.456 474 Y N 3.305 123.760 120.300 0.258 0.000 2.409 474 Y HA 0.392 4.864 4.550 -0.131 0.000 0.343 474 Y C -1.960 174.106 175.900 0.276 0.000 0.973 474 Y CA -2.829 55.411 58.100 0.233 0.000 1.064 474 Y CB 2.103 40.648 38.460 0.141 0.000 1.207 474 Y HN 0.514 nan 8.280 nan 0.000 0.452 475 P HA 0.148 nan 4.420 nan 0.000 0.276 475 P C -0.814 176.463 177.300 -0.037 0.000 1.243 475 P CA -0.405 62.657 63.100 -0.063 0.000 0.768 475 P CB 0.886 32.567 31.700 -0.033 0.000 0.856 476 K N 2.495 122.834 120.400 -0.101 0.000 2.120 476 K HA 0.150 4.392 4.320 -0.130 0.000 0.245 476 K C 1.438 178.017 176.600 -0.035 0.000 1.024 476 K CA -0.542 55.727 56.287 -0.031 0.000 0.906 476 K CB 0.263 32.770 32.500 0.012 0.000 1.051 476 K HN 0.250 nan 8.250 nan 0.000 0.491 477 N N 0.690 119.387 118.700 -0.005 0.000 2.205 477 N HA -0.162 4.499 4.740 -0.130 0.000 0.186 477 N C 1.600 177.153 175.510 0.073 0.000 1.015 477 N CA 1.579 54.642 53.050 0.022 0.000 0.862 477 N CB -0.433 38.062 38.487 0.013 0.000 0.986 477 N HN 0.569 nan 8.380 nan 0.000 0.429 478 S N -0.328 115.420 115.700 0.081 0.000 2.440 478 S HA -0.076 4.315 4.470 -0.130 0.000 0.238 478 S C 2.103 176.882 174.600 0.298 0.000 1.010 478 S CA 0.792 59.111 58.200 0.198 0.000 0.972 478 S CB -0.685 62.651 63.200 0.226 0.000 0.774 478 S HN 0.045 nan 8.310 nan 0.000 0.501 479 V N 1.750 121.718 119.914 0.090 0.000 2.255 479 V HA -0.181 3.860 4.120 -0.130 0.000 0.247 479 V C 3.082 179.250 176.094 0.123 0.000 1.051 479 V CA 1.981 64.294 62.300 0.021 0.000 1.018 479 V CB -0.827 30.836 31.823 -0.266 0.000 0.641 479 V HN 0.429 nan 8.190 nan 0.000 0.445 480 Q N -1.453 118.405 119.800 0.097 0.000 2.096 480 Q HA -0.254 4.008 4.340 -0.130 0.000 0.204 480 Q C 1.875 177.936 176.000 0.101 0.000 0.982 480 Q CA 2.091 57.945 55.803 0.085 0.000 0.850 480 Q CB -0.559 28.220 28.738 0.068 0.000 0.901 480 Q HN 0.830 nan 8.270 nan 0.000 0.422 481 W N 0.172 121.454 121.300 -0.029 0.000 2.335 481 W HA -0.209 4.372 4.660 -0.130 0.000 0.311 481 W C 1.834 178.255 176.519 -0.165 0.000 1.213 481 W CA 1.512 58.795 57.345 -0.104 0.000 1.274 481 W CB -0.595 28.782 29.460 -0.138 0.000 1.148 481 W HN 0.093 nan 8.180 nan 0.000 0.498 482 F N 0.707 120.722 119.950 0.108 0.000 2.102 482 F HA -0.184 4.264 4.527 -0.131 0.000 0.298 482 F C 2.652 178.319 175.800 -0.220 0.000 1.105 482 F CA 2.209 60.142 58.000 -0.112 0.000 1.239 482 F CB -0.860 38.158 39.000 0.030 0.000 0.991 482 F HN -0.235 nan 8.300 nan 0.000 0.474 483 K N 0.518 120.951 120.400 0.055 0.000 2.044 483 K HA -0.250 3.992 4.320 -0.130 0.000 0.210 483 K C 2.231 178.758 176.600 -0.121 0.000 1.049 483 K CA 1.448 57.722 56.287 -0.021 0.000 0.927 483 K CB -0.379 32.127 32.500 0.009 0.000 0.713 483 K HN 0.242 nan 8.250 nan 0.000 0.443 484 A N 1.354 124.065 122.820 -0.182 0.000 1.877 484 A HA -0.166 4.076 4.320 -0.130 0.000 0.216 484 A C 2.084 179.459 177.584 -0.349 0.000 1.186 484 A CA 1.489 53.380 52.037 -0.243 0.000 0.620 484 A CB -0.675 18.172 19.000 -0.255 0.000 0.822 484 A HN 0.428 nan 8.150 nan 0.000 0.443 485 L N -0.243 120.641 121.223 -0.564 0.000 2.043 485 L HA -0.134 4.127 4.340 -0.130 0.000 0.212 485 L C 1.962 178.576 176.870 -0.426 0.000 1.075 485 L CA 1.924 56.395 54.840 -0.615 0.000 0.752 485 L CB -0.298 41.188 42.059 -0.954 0.000 0.891 485 L HN 0.397 nan 8.230 nan 0.000 0.432 486 L N -0.889 120.128 121.223 -0.343 0.000 2.591 486 L HA 0.040 4.302 4.340 -0.130 0.000 0.228 486 L C 1.044 177.829 176.870 -0.143 0.000 1.133 486 L CA -0.213 54.470 54.840 -0.261 0.000 0.880 486 L CB -0.528 41.414 42.059 -0.195 0.000 1.033 486 L HN 0.135 nan 8.230 nan 0.000 0.450 487 K N 1.322 121.640 120.400 -0.137 0.000 2.527 487 K HA 0.013 4.254 4.320 -0.130 0.000 0.278 487 K C 0.299 176.863 176.600 -0.060 0.000 0.981 487 K CA 0.431 56.666 56.287 -0.086 0.000 1.009 487 K CB 0.534 32.980 32.500 -0.090 0.000 0.895 487 K HN 0.119 nan 8.250 nan 0.000 0.493 488 T N 0.000 114.533 114.554 -0.035 0.000 3.816 488 T HA 0.000 4.272 4.350 -0.130 0.000 0.228 488 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 488 T CB 0.000 68.868 68.868 0.000 0.000 0.612 488 T HN 0.000 nan 8.240 nan 0.000 0.658