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 2vk2_1_A DATA FIRST_RESID 2 DATA SEQUENCE PLTVGFSQVG SESGWRAAET NVAKSEAEKR GITLKIADGQ QKQENQIKAV DATA SEQUENCE RSFVAQGVDA IFIAPVVATG WEPVLKEAKD AEIPVFLLDR SIDVKDKSLY DATA SEQUENCE MTTVTADNIL EGKLIGDWLV KEVNGKPcNV VELQGTVGAS VAIDRKKGFA DATA SEQUENCE EAIKNAPNIK IIRSQSGDFT RSKGKEVMES FIKAENNGKN IcMVYAHNDD DATA SEQUENCE MVIGAIQAIK EAGLKPGKDI LTGSIDGVPD IYKAMMDGEA NASVELTPNM DATA SEQUENCE AGPAFDALEK YKKDGTMPEK LTLTKSTLYL PDTAKEELEK KKNMGY 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.280 177.300 -0.034 0.000 1.155 2 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 2 P CB 0.000 31.681 31.700 -0.032 0.000 0.726 3 L N 1.186 122.380 121.223 -0.048 0.000 2.309 3 L HA 0.693 5.032 4.340 -0.000 0.000 0.282 3 L C -0.149 176.681 176.870 -0.066 0.000 1.036 3 L CA -0.321 54.492 54.840 -0.045 0.000 0.806 3 L CB 2.008 44.042 42.059 -0.042 0.000 1.220 3 L HN 0.396 nan 8.230 nan 0.000 0.429 4 T N 2.408 116.926 114.554 -0.060 0.000 2.792 4 T HA 0.508 4.858 4.350 -0.000 0.000 0.280 4 T C -0.370 174.249 174.700 -0.134 0.000 0.990 4 T CA -0.387 61.662 62.100 -0.085 0.000 0.960 4 T CB 1.856 70.691 68.868 -0.055 0.000 0.939 4 T HN 0.162 nan 8.240 nan 0.000 0.439 5 V N 2.568 122.357 119.914 -0.209 0.000 2.495 5 V HA 0.738 4.858 4.120 -0.000 0.000 0.298 5 V C 0.646 176.454 176.094 -0.476 0.000 1.031 5 V CA -0.847 61.233 62.300 -0.367 0.000 0.871 5 V CB 1.934 33.435 31.823 -0.537 0.000 0.988 5 V HN 1.016 nan 8.190 nan 0.000 0.432 6 G N 3.545 111.915 108.800 -0.716 0.000 2.319 6 G HA2 0.539 4.499 3.960 -0.000 0.000 0.308 6 G HA3 0.539 4.499 3.960 -0.000 0.000 0.308 6 G C -1.156 173.278 174.900 -0.777 0.000 1.117 6 G CA -0.207 43.987 45.100 -1.509 0.000 0.903 6 G HN 0.440 nan 8.290 nan 0.000 0.436 7 F N 3.655 123.324 119.950 -0.468 0.000 2.375 7 F HA 0.562 5.089 4.527 -0.000 0.000 0.361 7 F C 0.220 176.173 175.800 0.255 0.000 1.117 7 F CA -2.034 55.953 58.000 -0.021 0.000 1.037 7 F CB 1.857 40.853 39.000 -0.006 0.000 1.192 7 F HN 0.311 nan 8.300 nan 0.000 0.452 8 S N 5.602 121.579 115.700 0.462 0.000 2.416 8 S HA 0.247 4.717 4.470 -0.000 0.000 0.302 8 S C -0.317 174.194 174.600 -0.149 0.000 1.120 8 S CA -0.364 57.961 58.200 0.207 0.000 1.067 8 S CB -0.231 63.156 63.200 0.312 0.000 1.057 8 S HN 0.735 nan 8.310 nan 0.000 0.518 9 Q N 3.849 123.347 119.800 -0.502 0.000 2.230 9 Q HA 0.421 4.761 4.340 -0.000 0.000 0.248 9 Q C 0.800 176.704 176.000 -0.159 0.000 0.915 9 Q CA -0.386 55.061 55.803 -0.593 0.000 0.900 9 Q CB 1.253 29.512 28.738 -0.798 0.000 1.229 9 Q HN 0.430 nan 8.270 nan 0.000 0.439 10 V N 2.152 122.041 119.914 -0.041 0.000 2.343 10 V HA 0.126 4.246 4.120 -0.000 0.000 0.247 10 V C 1.162 177.271 176.094 0.025 0.000 1.051 10 V CA 2.001 64.328 62.300 0.046 0.000 1.036 10 V CB -0.965 30.917 31.823 0.098 0.000 0.654 10 V HN 0.922 nan 8.190 nan 0.000 0.451 11 G N -0.827 107.973 108.800 -0.001 0.000 2.441 11 G HA2 0.238 4.198 3.960 -0.000 0.000 0.222 11 G HA3 0.238 4.198 3.960 -0.000 0.000 0.222 11 G C -0.369 174.536 174.900 0.008 0.000 1.254 11 G CA 0.237 45.339 45.100 0.004 0.000 0.959 11 G HN 0.738 nan 8.290 nan 0.000 0.474 12 S N 0.027 115.741 115.700 0.025 0.000 2.665 12 S HA 0.337 4.807 4.470 -0.000 0.000 0.235 12 S C 0.897 175.528 174.600 0.052 0.000 1.084 12 S CA 0.770 58.987 58.200 0.029 0.000 1.151 12 S CB 0.923 64.130 63.200 0.012 0.000 1.151 12 S HN 0.928 nan 8.310 nan 0.000 0.461 13 E N 1.658 121.903 120.200 0.074 0.000 2.274 13 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 13 E C 0.680 177.341 176.600 0.101 0.000 0.996 13 E CA 0.951 57.406 56.400 0.091 0.000 0.840 13 E CB -0.201 29.575 29.700 0.126 0.000 0.772 13 E HN 0.664 nan 8.360 nan 0.000 0.491 14 S N -1.805 113.961 115.700 0.109 0.000 2.627 14 S HA 0.606 5.076 4.470 -0.000 0.000 0.283 14 S C 1.069 175.755 174.600 0.144 0.000 1.127 14 S CA -0.409 57.868 58.200 0.128 0.000 0.863 14 S CB 1.379 64.662 63.200 0.137 0.000 1.121 14 S HN 0.030 nan 8.310 nan 0.000 0.479 15 G N 0.032 108.932 108.800 0.168 0.000 2.432 15 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.219 15 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.219 15 G C 0.953 176.021 174.900 0.280 0.000 1.135 15 G CA 0.598 45.823 45.100 0.207 0.000 0.767 15 G HN 0.822 nan 8.290 nan 0.000 0.550 16 W N 1.068 122.460 121.300 0.154 0.000 2.355 16 W HA -0.041 4.619 4.660 -0.000 0.000 0.309 16 W C 2.741 179.249 176.519 -0.019 0.000 1.206 16 W CA 1.633 59.045 57.345 0.112 0.000 1.284 16 W CB -0.031 29.462 29.460 0.056 0.000 1.145 16 W HN 0.125 nan 8.180 nan 0.000 0.502 17 R N 0.216 120.831 120.500 0.191 0.000 2.092 17 R HA -0.102 4.238 4.340 -0.000 0.000 0.231 17 R C 2.301 178.497 176.300 -0.172 0.000 1.119 17 R CA 1.553 57.647 56.100 -0.009 0.000 0.970 17 R CB -0.633 29.771 30.300 0.174 0.000 0.864 17 R HN 0.198 nan 8.270 nan 0.000 0.440 18 A N 0.711 123.470 122.820 -0.102 0.000 1.908 18 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 18 A C 2.331 179.773 177.584 -0.236 0.000 1.181 18 A CA 1.764 53.734 52.037 -0.113 0.000 0.627 18 A CB -0.802 18.175 19.000 -0.038 0.000 0.818 18 A HN 0.519 nan 8.150 nan 0.000 0.445 19 A N -0.566 122.004 122.820 -0.418 0.000 1.898 19 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 19 A C 2.045 179.272 177.584 -0.595 0.000 1.181 19 A CA 1.722 53.368 52.037 -0.651 0.000 0.620 19 A CB -0.537 17.671 19.000 -1.320 0.000 0.819 19 A HN 0.667 nan 8.150 nan 0.000 0.442 20 E N -0.622 119.128 120.200 -0.750 0.000 2.085 20 E HA -0.182 4.167 4.350 -0.000 0.000 0.194 20 E C 1.948 178.413 176.600 -0.224 0.000 0.994 20 E CA 1.727 57.762 56.400 -0.607 0.000 0.801 20 E CB -0.161 29.045 29.700 -0.823 0.000 0.743 20 E HN 0.551 nan 8.360 nan 0.000 0.453 21 T N 1.272 115.744 114.554 -0.136 0.000 2.708 21 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 21 T C 1.595 176.285 174.700 -0.017 0.000 1.037 21 T CA 1.293 63.402 62.100 0.014 0.000 1.146 21 T CB -0.301 68.559 68.868 -0.015 0.000 0.865 21 T HN 0.182 nan 8.240 nan 0.000 0.435 22 N N 0.958 119.600 118.700 -0.097 0.000 2.069 22 N HA -0.076 4.664 4.740 -0.000 0.000 0.191 22 N C 1.939 177.406 175.510 -0.072 0.000 1.031 22 N CA 0.843 53.841 53.050 -0.086 0.000 0.852 22 N CB -0.783 37.627 38.487 -0.129 0.000 1.018 22 N HN 0.214 nan 8.380 nan 0.000 0.423 23 V N 1.412 121.256 119.914 -0.117 0.000 2.427 23 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 23 V C 2.387 178.483 176.094 0.002 0.000 1.051 23 V CA 1.495 63.746 62.300 -0.082 0.000 1.048 23 V CB -0.938 30.800 31.823 -0.141 0.000 0.666 23 V HN 0.278 nan 8.190 nan 0.000 0.456 24 A N 0.122 122.959 122.820 0.028 0.000 1.908 24 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 24 A C 2.303 179.996 177.584 0.181 0.000 1.181 24 A CA 2.143 54.264 52.037 0.141 0.000 0.627 24 A CB -0.425 18.661 19.000 0.143 0.000 0.818 24 A HN 0.548 nan 8.150 nan 0.000 0.445 25 K N 0.206 120.663 120.400 0.096 0.000 2.026 25 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 25 K C 2.474 179.076 176.600 0.003 0.000 1.048 25 K CA 1.732 58.049 56.287 0.050 0.000 0.929 25 K CB -0.261 32.255 32.500 0.027 0.000 0.713 25 K HN 0.668 nan 8.250 nan 0.000 0.439 26 S N 1.190 116.887 115.700 -0.006 0.000 2.383 26 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 26 S C 1.848 176.422 174.600 -0.043 0.000 1.026 26 S CA 0.771 58.954 58.200 -0.029 0.000 0.981 26 S CB -0.157 63.025 63.200 -0.030 0.000 0.818 26 S HN 0.169 nan 8.310 nan 0.000 0.472 27 E N 2.074 122.270 120.200 -0.006 0.000 2.051 27 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 27 E C 2.505 178.947 176.600 -0.264 0.000 0.991 27 E CA 1.286 57.670 56.400 -0.026 0.000 0.799 27 E CB -0.717 29.096 29.700 0.189 0.000 0.748 27 E HN 0.654 nan 8.360 nan 0.000 0.449 28 A N 1.417 124.042 122.820 -0.324 0.000 1.877 28 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 28 A C 2.068 179.454 177.584 -0.330 0.000 1.186 28 A CA 1.818 53.510 52.037 -0.575 0.000 0.620 28 A CB -0.545 18.272 19.000 -0.305 0.000 0.822 28 A HN 0.217 nan 8.150 nan 0.000 0.443 29 E N -0.048 120.042 120.200 -0.183 0.000 2.051 29 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 29 E C 2.040 178.564 176.600 -0.128 0.000 0.991 29 E CA 1.667 57.990 56.400 -0.128 0.000 0.799 29 E CB -0.192 29.460 29.700 -0.080 0.000 0.748 29 E HN 0.843 nan 8.360 nan 0.000 0.449 30 K N 0.599 120.924 120.400 -0.125 0.000 2.365 30 K HA -0.058 4.262 4.320 -0.000 0.000 0.199 30 K C 1.666 178.191 176.600 -0.124 0.000 1.045 30 K CA 0.957 57.182 56.287 -0.103 0.000 0.962 30 K CB 0.090 32.543 32.500 -0.078 0.000 0.759 30 K HN -0.047 nan 8.250 nan 0.000 0.469 31 R N 0.103 120.489 120.500 -0.190 0.000 2.317 31 R HA 0.106 4.446 4.340 -0.000 0.000 0.208 31 R C 0.620 176.811 176.300 -0.181 0.000 0.914 31 R CA 0.448 56.427 56.100 -0.202 0.000 1.060 31 R CB 0.467 30.575 30.300 -0.320 0.000 1.015 31 R HN 0.489 nan 8.270 nan 0.000 0.498 32 G N 1.690 110.390 108.800 -0.167 0.000 2.176 32 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 32 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 32 G C 0.059 174.868 174.900 -0.153 0.000 1.024 32 G CA -0.039 44.981 45.100 -0.132 0.000 0.755 32 G HN 0.242 nan 8.290 nan 0.000 0.507 33 I N 1.103 121.537 120.570 -0.226 0.000 2.353 33 I HA 0.291 4.461 4.170 -0.000 0.000 0.293 33 I C 0.637 176.642 176.117 -0.186 0.000 0.992 33 I CA -0.564 60.594 61.300 -0.238 0.000 1.268 33 I CB 1.596 39.348 38.000 -0.413 0.000 1.387 33 I HN 0.003 nan 8.210 nan 0.000 0.478 34 T N 7.345 121.822 114.554 -0.128 0.000 2.737 34 T HA 0.314 4.664 4.350 -0.000 0.000 0.296 34 T C -0.380 174.263 174.700 -0.095 0.000 0.922 34 T CA -0.165 61.880 62.100 -0.092 0.000 1.079 34 T CB 0.390 69.220 68.868 -0.063 0.000 0.892 34 T HN 0.176 nan 8.240 nan 0.000 0.514 35 L N 4.845 126.028 121.223 -0.067 0.000 2.305 35 L HA 0.480 4.819 4.340 -0.000 0.000 0.284 35 L C -0.488 176.376 176.870 -0.010 0.000 1.013 35 L CA -0.383 54.432 54.840 -0.041 0.000 0.819 35 L CB 0.852 42.931 42.059 0.034 0.000 1.227 35 L HN 0.442 nan 8.230 nan 0.000 0.417 36 K N 6.896 127.272 120.400 -0.040 0.000 2.265 36 K HA 0.559 4.879 4.320 -0.000 0.000 0.267 36 K C -1.082 175.583 176.600 0.107 0.000 0.994 36 K CA -0.414 55.900 56.287 0.044 0.000 0.860 36 K CB 1.735 34.288 32.500 0.089 0.000 1.099 36 K HN 0.538 nan 8.250 nan 0.000 0.448 37 I N 2.462 123.120 120.570 0.146 0.000 2.362 37 I HA 0.309 4.479 4.170 -0.000 0.000 0.289 37 I C -0.208 175.983 176.117 0.122 0.000 0.994 37 I CA -0.816 60.558 61.300 0.123 0.000 1.158 37 I CB 1.783 39.812 38.000 0.050 0.000 1.315 37 I HN 0.617 nan 8.210 nan 0.000 0.451 38 A N 5.049 127.962 122.820 0.156 0.000 2.292 38 A HA 0.381 4.701 4.320 -0.000 0.000 0.319 38 A C -0.647 176.911 177.584 -0.044 0.000 1.206 38 A CA -0.504 51.569 52.037 0.059 0.000 0.835 38 A CB 0.755 19.772 19.000 0.028 0.000 1.164 38 A HN 0.692 nan 8.150 nan 0.000 0.505 39 D N 2.586 122.960 120.400 -0.043 0.000 2.317 39 D HA 0.342 4.982 4.640 -0.000 0.000 0.234 39 D C 1.172 177.454 176.300 -0.029 0.000 1.112 39 D CA 0.271 54.238 54.000 -0.054 0.000 0.840 39 D CB 1.463 42.240 40.800 -0.038 0.000 1.078 39 D HN 0.528 nan 8.370 nan 0.000 0.486 40 G N 2.512 111.301 108.800 -0.018 0.000 2.744 40 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.211 40 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.211 40 G C 0.649 175.556 174.900 0.013 0.000 1.143 40 G CA 0.002 45.108 45.100 0.010 0.000 0.788 40 G HN 0.737 nan 8.290 nan 0.000 0.534 41 Q N -0.788 119.017 119.800 0.008 0.000 2.457 41 Q HA -0.250 4.089 4.340 -0.000 0.000 0.283 41 Q C 0.460 176.475 176.000 0.025 0.000 1.234 41 Q CA 0.527 56.337 55.803 0.013 0.000 0.877 41 Q CB -1.009 27.731 28.738 0.004 0.000 1.250 41 Q HN 0.538 nan 8.270 nan 0.000 0.481 42 Q N -3.432 116.393 119.800 0.042 0.000 2.374 42 Q HA -0.179 4.161 4.340 -0.000 0.000 0.218 42 Q C -0.619 175.413 176.000 0.054 0.000 0.691 42 Q CA 1.531 57.370 55.803 0.060 0.000 1.340 42 Q CB -0.847 27.925 28.738 0.056 0.000 1.498 42 Q HN 0.435 nan 8.270 nan 0.000 0.739 43 K N 0.875 121.299 120.400 0.040 0.000 2.307 43 K HA 0.285 4.605 4.320 -0.000 0.000 0.263 43 K C 1.012 177.624 176.600 0.020 0.000 0.973 43 K CA -0.299 56.001 56.287 0.020 0.000 0.846 43 K CB 1.497 33.997 32.500 0.000 0.000 1.100 43 K HN 0.192 nan 8.250 nan 0.000 0.438 44 Q N 1.552 121.348 119.800 -0.006 0.000 2.096 44 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 44 Q C 1.124 177.050 176.000 -0.124 0.000 0.982 44 Q CA 2.002 57.762 55.803 -0.072 0.000 0.850 44 Q CB 0.242 28.860 28.738 -0.201 0.000 0.901 44 Q HN 0.539 nan 8.270 nan 0.000 0.422 45 E N 0.392 120.529 120.200 -0.104 0.000 2.150 45 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 45 E C 1.503 178.070 176.600 -0.054 0.000 0.985 45 E CA 1.375 57.717 56.400 -0.096 0.000 0.814 45 E CB -0.074 29.579 29.700 -0.078 0.000 0.752 45 E HN 0.421 nan 8.360 nan 0.000 0.466 46 N N 0.382 119.064 118.700 -0.029 0.000 2.166 46 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 46 N C 1.664 177.176 175.510 0.003 0.000 1.019 46 N CA 1.150 54.190 53.050 -0.017 0.000 0.856 46 N CB -0.227 38.254 38.487 -0.009 0.000 0.993 46 N HN 0.375 nan 8.380 nan 0.000 0.426 47 Q N 0.348 120.180 119.800 0.054 0.000 2.084 47 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 47 Q C 2.164 178.258 176.000 0.156 0.000 0.978 47 Q CA 0.863 56.757 55.803 0.151 0.000 0.844 47 Q CB -0.096 28.847 28.738 0.342 0.000 0.898 47 Q HN 0.405 nan 8.270 nan 0.000 0.426 48 I N 0.866 121.480 120.570 0.072 0.000 2.226 48 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 48 I C 2.179 178.310 176.117 0.024 0.000 1.100 48 I CA 1.278 62.610 61.300 0.054 0.000 1.374 48 I CB -0.183 37.770 38.000 -0.079 0.000 1.057 48 I HN 0.139 nan 8.210 nan 0.000 0.413 49 K N 0.827 121.215 120.400 -0.021 0.000 2.063 49 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 49 K C 2.255 178.792 176.600 -0.105 0.000 1.048 49 K CA 1.611 57.868 56.287 -0.051 0.000 0.928 49 K CB -0.307 32.159 32.500 -0.056 0.000 0.713 49 K HN 0.331 nan 8.250 nan 0.000 0.442 50 A N 0.941 123.680 122.820 -0.135 0.000 1.902 50 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 50 A C 2.383 179.707 177.584 -0.435 0.000 1.181 50 A CA 1.419 53.245 52.037 -0.352 0.000 0.623 50 A CB -0.669 18.169 19.000 -0.270 0.000 0.818 50 A HN 0.073 nan 8.150 nan 0.000 0.443 51 V N 0.062 119.950 119.914 -0.044 0.000 2.343 51 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 51 V C 2.635 178.792 176.094 0.105 0.000 1.051 51 V CA 2.292 64.692 62.300 0.167 0.000 1.036 51 V CB -0.846 31.138 31.823 0.269 0.000 0.654 51 V HN 0.523 nan 8.190 nan 0.000 0.451 52 R N -0.214 120.308 120.500 0.038 0.000 2.096 52 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 52 R C 2.684 178.986 176.300 0.003 0.000 1.127 52 R CA 1.644 57.764 56.100 0.032 0.000 0.968 52 R CB -0.552 29.755 30.300 0.012 0.000 0.861 52 R HN 0.497 nan 8.270 nan 0.000 0.440 53 S N 0.113 115.756 115.700 -0.095 0.000 2.368 53 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 53 S C 1.672 176.270 174.600 -0.003 0.000 1.030 53 S CA 1.077 59.210 58.200 -0.110 0.000 0.999 53 S CB -0.161 62.894 63.200 -0.241 0.000 0.844 53 S HN 0.188 nan 8.310 nan 0.000 0.459 54 F N 1.587 121.572 119.950 0.058 0.000 2.134 54 F HA -0.020 4.507 4.527 -0.000 0.000 0.299 54 F C 2.479 178.315 175.800 0.061 0.000 1.097 54 F CA 0.455 58.491 58.000 0.060 0.000 1.264 54 F CB -1.309 37.737 39.000 0.077 0.000 1.001 54 F HN 0.062 nan 8.300 nan 0.000 0.479 55 V N 0.065 120.125 119.914 0.244 0.000 2.295 55 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 55 V C 2.647 178.812 176.094 0.118 0.000 1.049 55 V CA 1.806 64.203 62.300 0.162 0.000 1.024 55 V CB -1.435 30.466 31.823 0.131 0.000 0.648 55 V HN 0.349 nan 8.190 nan 0.000 0.447 56 A N -0.848 122.029 122.820 0.095 0.000 1.908 56 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 56 A C 2.153 179.782 177.584 0.075 0.000 1.181 56 A CA 1.997 54.075 52.037 0.068 0.000 0.627 56 A CB -0.504 18.522 19.000 0.044 0.000 0.818 56 A HN 0.646 nan 8.150 nan 0.000 0.445 57 Q N -1.767 118.094 119.800 0.101 0.000 2.224 57 Q HA 0.145 4.484 4.340 -0.000 0.000 0.203 57 Q C 1.098 177.152 176.000 0.090 0.000 0.970 57 Q CA 0.549 56.413 55.803 0.101 0.000 0.865 57 Q CB -0.151 28.675 28.738 0.145 0.000 0.922 57 Q HN 0.963 nan 8.270 nan 0.000 0.445 58 G N 1.429 110.289 108.800 0.100 0.000 2.248 58 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.263 58 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.263 58 G C 0.240 175.183 174.900 0.072 0.000 1.082 58 G CA 0.112 45.261 45.100 0.080 0.000 0.863 58 G HN 0.358 nan 8.290 nan 0.000 0.495 59 V N -2.874 117.089 119.914 0.082 0.000 3.287 59 V HA 0.360 4.480 4.120 -0.000 0.000 0.306 59 V C 1.311 177.429 176.094 0.040 0.000 1.103 59 V CA 0.739 63.058 62.300 0.033 0.000 1.159 59 V CB 0.895 32.698 31.823 -0.033 0.000 1.036 59 V HN 0.199 nan 8.190 nan 0.000 0.487 60 D N 1.709 122.121 120.400 0.019 0.000 2.234 60 D HA 0.294 4.934 4.640 -0.000 0.000 0.205 60 D C 0.660 177.024 176.300 0.107 0.000 0.962 60 D CA 1.784 55.818 54.000 0.057 0.000 0.855 60 D CB 0.736 41.560 40.800 0.040 0.000 0.951 60 D HN 0.971 nan 8.370 nan 0.000 0.500 61 A N 0.111 122.970 122.820 0.064 0.000 2.604 61 A HA 0.618 4.938 4.320 -0.000 0.000 0.295 61 A C -1.511 176.101 177.584 0.047 0.000 1.067 61 A CA -0.603 51.528 52.037 0.158 0.000 0.683 61 A CB 1.290 20.439 19.000 0.250 0.000 1.281 61 A HN 0.003 nan 8.150 nan 0.000 0.407 62 I N 1.474 122.170 120.570 0.209 0.000 2.436 62 I HA 0.499 4.669 4.170 -0.000 0.000 0.289 62 I C -1.308 175.085 176.117 0.459 0.000 1.010 62 I CA -0.416 60.992 61.300 0.179 0.000 1.098 62 I CB 1.630 39.765 38.000 0.225 0.000 1.266 62 I HN 0.464 nan 8.210 nan 0.000 0.434 63 F N 6.417 126.409 119.950 0.070 0.000 2.443 63 F HA 0.606 5.133 4.527 -0.000 0.000 0.335 63 F C 0.129 176.063 175.800 0.224 0.000 1.104 63 F CA -1.393 56.628 58.000 0.036 0.000 1.013 63 F CB 1.341 40.154 39.000 -0.312 0.000 1.136 63 F HN 0.125 nan 8.300 nan 0.000 0.470 64 I N 2.249 122.988 120.570 0.282 0.000 2.533 64 I HA 0.499 4.669 4.170 -0.000 0.000 0.290 64 I C -0.527 175.657 176.117 0.111 0.000 1.056 64 I CA -1.020 60.395 61.300 0.192 0.000 1.057 64 I CB 2.105 40.045 38.000 -0.101 0.000 1.240 64 I HN 0.616 nan 8.210 nan 0.000 0.423 65 A N 8.177 131.139 122.820 0.237 0.000 2.478 65 A HA 0.581 4.901 4.320 -0.000 0.000 0.327 65 A C -2.493 175.107 177.584 0.028 0.000 1.431 65 A CA -1.499 50.622 52.037 0.139 0.000 1.014 65 A CB -0.369 18.797 19.000 0.276 0.000 1.143 65 A HN 0.334 nan 8.150 nan 0.000 0.532 66 P HA 0.031 nan 4.420 nan 0.000 0.276 66 P C 1.069 178.484 177.300 0.192 0.000 1.264 66 P CA 0.090 63.103 63.100 -0.145 0.000 0.769 66 P CB 1.562 32.899 31.700 -0.605 0.000 0.840 67 V N 4.856 124.992 119.914 0.369 0.000 2.332 67 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 67 V C 1.002 177.247 176.094 0.253 0.000 1.055 67 V CA 2.241 64.702 62.300 0.269 0.000 1.038 67 V CB -0.053 31.909 31.823 0.231 0.000 0.651 67 V HN 0.469 nan 8.190 nan 0.000 0.450 68 V N -3.786 116.324 119.914 0.327 0.000 3.126 68 V HA 0.906 5.026 4.120 -0.000 0.000 0.314 68 V C 0.903 177.223 176.094 0.377 0.000 1.138 68 V CA -0.207 62.248 62.300 0.258 0.000 1.034 68 V CB 1.019 32.935 31.823 0.156 0.000 1.075 68 V HN 0.134 nan 8.190 nan 0.000 0.442 69 A N 0.647 123.615 122.820 0.247 0.000 2.072 69 A HA 0.300 4.620 4.320 -0.000 0.000 0.216 69 A C 1.253 179.023 177.584 0.311 0.000 1.156 69 A CA 1.118 53.296 52.037 0.236 0.000 0.701 69 A CB -0.712 18.363 19.000 0.125 0.000 0.816 69 A HN 1.317 nan 8.150 nan 0.000 0.458 70 T N -4.793 109.892 114.554 0.219 0.000 2.934 70 T HA 0.520 4.870 4.350 -0.000 0.000 0.283 70 T C 0.964 175.643 174.700 -0.035 0.000 1.005 70 T CA 0.176 62.346 62.100 0.117 0.000 1.041 70 T CB 1.390 70.282 68.868 0.040 0.000 1.042 70 T HN 1.590 nan 8.240 nan 0.000 0.505 71 G N 0.059 108.820 108.800 -0.065 0.000 2.136 71 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.242 71 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.242 71 G C 0.231 174.935 174.900 -0.327 0.000 0.989 71 G CA 0.171 45.136 45.100 -0.224 0.000 0.682 71 G HN 0.800 nan 8.290 nan 0.000 0.522 72 W N 0.172 121.487 121.300 0.024 0.000 3.114 72 W HA 0.446 5.107 4.660 0.001 0.000 0.279 72 W C 1.991 178.533 176.519 0.038 0.000 1.277 72 W CA 0.581 57.944 57.345 0.030 0.000 1.630 72 W CB 0.312 29.787 29.460 0.024 0.000 1.087 72 W HN 0.319 nan 8.180 nan 0.000 0.637 73 E N 0.888 121.209 120.200 0.202 0.000 2.038 73 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 73 E C -0.503 176.167 176.600 0.116 0.000 1.000 73 E CA 1.826 58.315 56.400 0.149 0.000 0.803 73 E CB -1.850 27.910 29.700 0.100 0.000 0.750 73 E HN 0.089 nan 8.360 nan 0.000 0.448 74 P HA -0.187 nan 4.420 nan 0.000 0.215 74 P C 1.666 179.016 177.300 0.084 0.000 1.157 74 P CA 0.935 64.071 63.100 0.059 0.000 0.868 74 P CB 0.025 31.739 31.700 0.024 0.000 0.788 75 V N -0.807 119.174 119.914 0.112 0.000 2.548 75 V HA -0.156 3.964 4.120 -0.000 0.000 0.249 75 V C 2.155 178.351 176.094 0.170 0.000 1.055 75 V CA 1.430 63.816 62.300 0.143 0.000 1.065 75 V CB -1.020 30.911 31.823 0.179 0.000 0.681 75 V HN -0.005 nan 8.190 nan 0.000 0.462 76 L N -0.598 120.742 121.223 0.196 0.000 2.141 76 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 76 L C 2.557 179.496 176.870 0.116 0.000 1.094 76 L CA 1.603 56.543 54.840 0.166 0.000 0.763 76 L CB -0.548 41.620 42.059 0.183 0.000 0.908 76 L HN 0.266 nan 8.230 nan 0.000 0.437 77 K N 0.155 120.616 120.400 0.101 0.000 2.097 77 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 77 K C 1.975 178.616 176.600 0.069 0.000 1.049 77 K CA 1.380 57.711 56.287 0.073 0.000 0.933 77 K CB -0.054 32.483 32.500 0.061 0.000 0.717 77 K HN 0.352 nan 8.250 nan 0.000 0.442 78 E N 0.473 120.719 120.200 0.078 0.000 2.051 78 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 78 E C 2.072 178.721 176.600 0.083 0.000 0.991 78 E CA 1.125 57.569 56.400 0.074 0.000 0.799 78 E CB -0.119 29.627 29.700 0.076 0.000 0.748 78 E HN 0.334 nan 8.360 nan 0.000 0.449 79 A N 1.558 124.438 122.820 0.101 0.000 1.902 79 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 79 A C 2.062 179.696 177.584 0.083 0.000 1.181 79 A CA 1.708 53.808 52.037 0.105 0.000 0.623 79 A CB -0.358 18.718 19.000 0.127 0.000 0.818 79 A HN 0.072 nan 8.150 nan 0.000 0.443 80 K N -0.447 119.994 120.400 0.069 0.000 2.057 80 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 80 K C 1.254 177.884 176.600 0.050 0.000 1.050 80 K CA 1.622 57.939 56.287 0.049 0.000 0.935 80 K CB -0.169 32.352 32.500 0.036 0.000 0.715 80 K HN 0.331 nan 8.250 nan 0.000 0.439 81 D N 0.275 120.705 120.400 0.051 0.000 2.178 81 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 81 D C 1.451 177.782 176.300 0.051 0.000 0.980 81 D CA 1.255 55.282 54.000 0.046 0.000 0.842 81 D CB -0.059 40.767 40.800 0.043 0.000 0.948 81 D HN 0.366 nan 8.370 nan 0.000 0.472 82 A N 0.254 123.111 122.820 0.061 0.000 2.238 82 A HA -0.021 4.299 4.320 -0.000 0.000 0.208 82 A C 0.515 178.142 177.584 0.070 0.000 1.177 82 A CA 0.274 52.350 52.037 0.065 0.000 0.804 82 A CB -0.346 18.700 19.000 0.076 0.000 0.823 82 A HN 0.234 nan 8.150 nan 0.000 0.482 83 E N -1.327 118.916 120.200 0.070 0.000 2.513 83 E HA -0.188 4.162 4.350 -0.000 0.000 0.257 83 E C -0.772 175.891 176.600 0.105 0.000 1.098 83 E CA 0.597 57.046 56.400 0.081 0.000 0.752 83 E CB -1.736 28.009 29.700 0.074 0.000 1.324 83 E HN 0.711 nan 8.360 nan 0.000 0.403 84 I N 1.681 122.314 120.570 0.105 0.000 2.328 84 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 84 I C -1.789 174.398 176.117 0.118 0.000 1.012 84 I CA -2.255 59.121 61.300 0.128 0.000 1.195 84 I CB 0.892 38.968 38.000 0.128 0.000 1.350 84 I HN -0.170 nan 8.210 nan 0.000 0.464 85 P HA 0.110 nan 4.420 nan 0.000 0.271 85 P C -0.684 176.636 177.300 0.034 0.000 1.216 85 P CA -0.063 63.041 63.100 0.006 0.000 0.776 85 P CB 1.409 33.123 31.700 0.024 0.000 0.881 86 V N 4.004 123.817 119.914 -0.168 0.000 2.495 86 V HA 0.427 4.547 4.120 -0.000 0.000 0.298 86 V C -0.235 175.674 176.094 -0.308 0.000 1.031 86 V CA -0.367 61.913 62.300 -0.034 0.000 0.871 86 V CB 1.036 32.877 31.823 0.030 0.000 0.988 86 V HN 0.363 nan 8.190 nan 0.000 0.432 87 F N 4.431 124.386 119.950 0.009 0.000 2.493 87 F HA 0.617 5.144 4.527 -0.000 0.000 0.329 87 F C -0.071 175.570 175.800 -0.265 0.000 1.126 87 F CA -0.683 57.206 58.000 -0.186 0.000 0.937 87 F CB 1.605 40.317 39.000 -0.479 0.000 1.146 87 F HN 0.159 nan 8.300 nan 0.000 0.442 88 L N 4.638 125.769 121.223 -0.154 0.000 2.289 88 L HA 0.514 4.853 4.340 -0.000 0.000 0.285 88 L C -1.011 175.725 176.870 -0.224 0.000 1.049 88 L CA -0.881 53.811 54.840 -0.247 0.000 0.804 88 L CB 1.186 42.992 42.059 -0.423 0.000 1.195 88 L HN 0.410 nan 8.230 nan 0.000 0.428 89 L N 2.898 124.014 121.223 -0.180 0.000 2.333 89 L HA 0.313 4.653 4.340 -0.000 0.000 0.280 89 L C 0.317 177.169 176.870 -0.029 0.000 1.004 89 L CA 0.044 54.800 54.840 -0.140 0.000 0.820 89 L CB 1.347 43.289 42.059 -0.195 0.000 1.247 89 L HN 0.773 nan 8.230 nan 0.000 0.416 90 D N 0.284 120.673 120.400 -0.018 0.000 2.462 90 D HA -0.258 4.382 4.640 -0.000 0.000 0.172 90 D C 0.036 176.307 176.300 -0.047 0.000 1.218 90 D CA 1.795 55.804 54.000 0.015 0.000 1.131 90 D CB -0.404 40.516 40.800 0.201 0.000 1.155 90 D HN 0.560 nan 8.370 nan 0.000 0.443 91 R N -0.467 120.004 120.500 -0.049 0.000 2.837 91 R HA 0.810 5.150 4.340 -0.000 0.000 0.271 91 R C -0.908 175.320 176.300 -0.121 0.000 0.993 91 R CA -0.710 55.355 56.100 -0.058 0.000 0.931 91 R CB 2.187 32.482 30.300 -0.008 0.000 1.206 91 R HN 0.045 nan 8.270 nan 0.000 0.474 92 S N 1.052 116.690 115.700 -0.103 0.000 2.704 92 S HA 0.640 5.110 4.470 -0.000 0.000 0.305 92 S C -0.184 174.330 174.600 -0.145 0.000 1.107 92 S CA -0.869 57.236 58.200 -0.158 0.000 0.993 92 S CB 1.256 64.400 63.200 -0.093 0.000 1.110 92 S HN 0.542 nan 8.310 nan 0.000 0.534 93 I N -1.383 119.068 120.570 -0.200 0.000 2.797 93 I HA 0.672 4.842 4.170 -0.000 0.000 0.307 93 I C -1.476 174.646 176.117 0.009 0.000 1.033 93 I CA -0.874 60.375 61.300 -0.084 0.000 1.071 93 I CB 1.855 39.746 38.000 -0.181 0.000 1.255 93 I HN 0.241 nan 8.210 nan 0.000 0.445 94 D N 4.954 125.407 120.400 0.089 0.000 2.473 94 D HA 0.446 5.086 4.640 -0.000 0.000 0.226 94 D C -0.433 175.935 176.300 0.114 0.000 1.089 94 D CA 0.092 54.146 54.000 0.091 0.000 0.883 94 D CB 1.686 42.536 40.800 0.083 0.000 1.029 94 D HN 0.566 nan 8.370 nan 0.000 0.517 95 V N -0.834 119.153 119.914 0.122 0.000 2.876 95 V HA 0.453 4.573 4.120 -0.000 0.000 0.312 95 V C 1.006 177.158 176.094 0.097 0.000 1.085 95 V CA -0.916 61.459 62.300 0.124 0.000 0.945 95 V CB 2.861 34.783 31.823 0.165 0.000 1.017 95 V HN 0.098 nan 8.190 nan 0.000 0.428 96 K N 0.360 120.803 120.400 0.072 0.000 2.103 96 K HA 0.003 4.323 4.320 -0.000 0.000 0.204 96 K C 0.358 176.979 176.600 0.036 0.000 1.052 96 K CA 1.341 57.656 56.287 0.048 0.000 0.945 96 K CB 0.059 32.581 32.500 0.037 0.000 0.722 96 K HN 0.874 nan 8.250 nan 0.000 0.443 97 D N 1.590 122.014 120.400 0.040 0.000 2.422 97 D HA 0.023 4.663 4.640 -0.000 0.000 0.227 97 D C 0.489 176.782 176.300 -0.013 0.000 1.190 97 D CA 0.028 54.034 54.000 0.010 0.000 0.905 97 D CB 0.690 41.499 40.800 0.016 0.000 1.034 97 D HN -0.178 nan 8.370 nan 0.000 0.507 98 K N 1.281 121.638 120.400 -0.072 0.000 2.439 98 K HA -0.060 4.260 4.320 -0.000 0.000 0.197 98 K C 1.573 177.921 176.600 -0.419 0.000 1.041 98 K CA 0.311 56.466 56.287 -0.220 0.000 0.970 98 K CB -0.226 32.162 32.500 -0.187 0.000 0.773 98 K HN 0.413 nan 8.250 nan 0.000 0.479 99 S N 0.328 115.885 115.700 -0.238 0.000 2.607 99 S HA 0.048 4.518 4.470 -0.000 0.000 0.224 99 S C 1.714 176.199 174.600 -0.192 0.000 0.969 99 S CA 0.093 58.155 58.200 -0.230 0.000 0.927 99 S CB -0.387 62.736 63.200 -0.129 0.000 0.772 99 S HN 0.202 nan 8.310 nan 0.000 0.533 100 L N 0.651 121.796 121.223 -0.130 0.000 2.551 100 L HA 0.189 4.529 4.340 -0.000 0.000 0.228 100 L C 0.399 177.306 176.870 0.062 0.000 1.153 100 L CA 0.155 54.999 54.840 0.007 0.000 0.851 100 L CB -0.486 41.643 42.059 0.116 0.000 0.959 100 L HN 0.665 nan 8.230 nan 0.000 0.451 101 Y N -6.649 113.573 120.300 -0.130 0.000 2.638 101 Y HA 0.415 4.965 4.550 -0.000 0.000 0.335 101 Y C 0.462 176.188 175.900 -0.290 0.000 1.155 101 Y CA -1.246 56.727 58.100 -0.213 0.000 1.046 101 Y CB 0.608 38.953 38.460 -0.191 0.000 1.303 101 Y HN -0.318 nan 8.280 nan 0.000 0.460 102 M N 0.816 120.209 119.600 -0.346 0.000 2.115 102 M HA 0.107 4.587 4.480 -0.000 0.000 0.261 102 M C 0.547 176.689 176.300 -0.263 0.000 1.079 102 M CA 1.664 56.662 55.300 -0.503 0.000 1.143 102 M CB -0.350 31.644 32.600 -1.010 0.000 1.332 102 M HN 0.860 nan 8.290 nan 0.000 0.421 103 T N -0.278 114.243 114.554 -0.054 0.000 2.802 103 T HA 0.350 4.700 4.350 -0.000 0.000 0.311 103 T C -1.408 173.369 174.700 0.128 0.000 1.405 103 T CA -0.520 61.636 62.100 0.094 0.000 1.016 103 T CB 1.954 70.843 68.868 0.035 0.000 1.352 103 T HN 0.108 nan 8.240 nan 0.000 0.498 104 T N 2.297 116.898 114.554 0.078 0.000 2.770 104 T HA 0.556 4.906 4.350 -0.000 0.000 0.283 104 T C -0.452 174.215 174.700 -0.054 0.000 0.988 104 T CA -0.448 61.612 62.100 -0.065 0.000 0.957 104 T CB 1.091 69.894 68.868 -0.109 0.000 0.930 104 T HN 0.468 nan 8.240 nan 0.000 0.443 105 V N 3.938 123.794 119.914 -0.095 0.000 2.385 105 V HA 0.731 4.851 4.120 -0.000 0.000 0.269 105 V C 0.498 176.552 176.094 -0.066 0.000 1.043 105 V CA -0.218 62.031 62.300 -0.085 0.000 0.906 105 V CB 1.011 32.750 31.823 -0.141 0.000 0.995 105 V HN 1.027 nan 8.190 nan 0.000 0.467 106 T N 3.489 118.020 114.554 -0.039 0.000 2.827 106 T HA 0.647 4.997 4.350 -0.000 0.000 0.328 106 T C -0.479 174.207 174.700 -0.022 0.000 1.598 106 T CA 0.264 62.344 62.100 -0.034 0.000 1.043 106 T CB 1.563 70.401 68.868 -0.051 0.000 1.447 106 T HN 1.004 nan 8.240 nan 0.000 0.491 107 A N 1.745 124.546 122.820 -0.031 0.000 2.346 107 A HA 0.514 4.834 4.320 -0.000 0.000 0.252 107 A C 0.131 177.699 177.584 -0.026 0.000 1.089 107 A CA -0.226 51.795 52.037 -0.025 0.000 0.797 107 A CB 0.094 19.069 19.000 -0.041 0.000 1.047 107 A HN 0.797 nan 8.150 nan 0.000 0.494 108 D N 0.425 120.816 120.400 -0.015 0.000 2.374 108 D HA 0.061 4.701 4.640 -0.000 0.000 0.240 108 D C 0.447 176.739 176.300 -0.014 0.000 1.229 108 D CA -0.068 53.926 54.000 -0.011 0.000 0.895 108 D CB -0.006 40.792 40.800 -0.003 0.000 1.046 108 D HN 0.414 nan 8.370 nan 0.000 0.498 109 N N 3.792 122.480 118.700 -0.020 0.000 2.409 109 N HA -0.044 4.696 4.740 -0.000 0.000 0.179 109 N C 1.783 177.290 175.510 -0.004 0.000 1.032 109 N CA 0.301 53.336 53.050 -0.025 0.000 0.898 109 N CB 0.466 38.930 38.487 -0.037 0.000 0.971 109 N HN 0.548 nan 8.380 nan 0.000 0.441 110 I N 0.863 121.435 120.570 0.004 0.000 2.179 110 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 110 I C 2.331 178.462 176.117 0.022 0.000 1.088 110 I CA 0.716 62.026 61.300 0.017 0.000 1.357 110 I CB -0.221 37.787 38.000 0.014 0.000 1.051 110 I HN 0.040 nan 8.210 nan 0.000 0.409 111 L N 1.176 122.407 121.223 0.014 0.000 2.042 111 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 111 L C 2.350 179.236 176.870 0.026 0.000 1.076 111 L CA 1.919 56.768 54.840 0.015 0.000 0.749 111 L CB -0.649 41.414 42.059 0.007 0.000 0.893 111 L HN 0.204 nan 8.230 nan 0.000 0.432 112 E N -0.553 119.662 120.200 0.025 0.000 2.058 112 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 112 E C 2.082 178.738 176.600 0.093 0.000 0.997 112 E CA 1.150 57.575 56.400 0.041 0.000 0.801 112 E CB -0.615 29.095 29.700 0.016 0.000 0.746 112 E HN 0.702 nan 8.360 nan 0.000 0.450 113 G N 1.471 110.338 108.800 0.111 0.000 2.418 113 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 113 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 113 G C 1.479 176.456 174.900 0.129 0.000 1.158 113 G CA 0.869 46.081 45.100 0.187 0.000 0.771 113 G HN 0.128 nan 8.290 nan 0.000 0.545 114 K N 0.032 120.472 120.400 0.066 0.000 2.057 114 K HA 0.042 4.362 4.320 -0.000 0.000 0.207 114 K C 2.491 179.112 176.600 0.036 0.000 1.049 114 K CA 0.781 57.079 56.287 0.019 0.000 0.931 114 K CB -0.263 32.241 32.500 0.006 0.000 0.714 114 K HN 0.336 nan 8.250 nan 0.000 0.440 115 L N 0.933 122.192 121.223 0.059 0.000 2.046 115 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 115 L C 2.409 179.362 176.870 0.139 0.000 1.077 115 L CA 0.745 55.629 54.840 0.072 0.000 0.747 115 L CB -0.375 41.710 42.059 0.043 0.000 0.896 115 L HN 0.250 nan 8.230 nan 0.000 0.432 116 I N -0.055 120.615 120.570 0.167 0.000 2.252 116 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 116 I C 2.658 178.981 176.117 0.342 0.000 1.102 116 I CA 1.618 63.082 61.300 0.273 0.000 1.385 116 I CB -1.841 36.318 38.000 0.264 0.000 1.064 116 I HN 0.234 nan 8.210 nan 0.000 0.414 117 G N 0.819 109.704 108.800 0.141 0.000 2.421 117 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 117 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 117 G C 1.300 176.128 174.900 -0.119 0.000 1.171 117 G CA 0.753 45.713 45.100 -0.233 0.000 0.775 117 G HN 0.292 nan 8.290 nan 0.000 0.543 118 D N -0.270 120.115 120.400 -0.026 0.000 2.117 118 D HA -0.119 4.520 4.640 -0.000 0.000 0.197 118 D C 1.855 178.178 176.300 0.038 0.000 0.987 118 D CA 0.859 54.851 54.000 -0.012 0.000 0.829 118 D CB -0.432 40.378 40.800 0.016 0.000 0.961 118 D HN 0.550 nan 8.370 nan 0.000 0.460 119 W N 1.383 122.667 121.300 -0.028 0.000 2.335 119 W HA -0.192 4.467 4.660 -0.001 0.000 0.311 119 W C 2.035 178.554 176.519 0.001 0.000 1.213 119 W CA 1.005 58.349 57.345 -0.001 0.000 1.274 119 W CB -0.573 28.903 29.460 0.027 0.000 1.148 119 W HN -0.003 nan 8.180 nan 0.000 0.498 120 L N 0.533 121.658 121.223 -0.163 0.000 2.046 120 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 120 L C 2.367 179.005 176.870 -0.386 0.000 1.077 120 L CA 2.123 56.690 54.840 -0.456 0.000 0.747 120 L CB -1.302 40.752 42.059 -0.009 0.000 0.896 120 L HN -0.009 nan 8.230 nan 0.000 0.432 121 V N -0.178 119.584 119.914 -0.252 0.000 2.287 121 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 121 V C 2.594 178.559 176.094 -0.215 0.000 1.053 121 V CA 2.289 64.465 62.300 -0.207 0.000 1.027 121 V CB -0.696 31.029 31.823 -0.164 0.000 0.646 121 V HN 0.474 nan 8.190 nan 0.000 0.447 122 K N -0.346 119.912 120.400 -0.236 0.000 2.057 122 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 122 K C 2.216 178.649 176.600 -0.278 0.000 1.050 122 K CA 1.570 57.731 56.287 -0.211 0.000 0.935 122 K CB -0.175 32.229 32.500 -0.161 0.000 0.715 122 K HN 0.414 nan 8.250 nan 0.000 0.439 123 E N 0.948 120.854 120.200 -0.490 0.000 2.051 123 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 123 E C 1.774 178.196 176.600 -0.297 0.000 0.991 123 E CA 1.622 57.720 56.400 -0.502 0.000 0.799 123 E CB -0.013 29.090 29.700 -0.996 0.000 0.748 123 E HN 0.189 nan 8.360 nan 0.000 0.449 124 V N -1.523 118.225 119.914 -0.277 0.000 3.129 124 V HA 0.058 4.178 4.120 -0.000 0.000 0.259 124 V C 0.776 176.796 176.094 -0.122 0.000 1.116 124 V CA 0.965 63.166 62.300 -0.166 0.000 1.127 124 V CB -0.970 30.770 31.823 -0.138 0.000 0.742 124 V HN 0.431 nan 8.190 nan 0.000 0.474 125 N N 1.081 119.702 118.700 -0.133 0.000 2.725 125 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 125 N C 0.986 176.452 175.510 -0.075 0.000 1.031 125 N CA 1.545 54.536 53.050 -0.097 0.000 0.720 125 N CB -1.396 37.042 38.487 -0.082 0.000 0.930 125 N HN 1.595 nan 8.380 nan 0.000 0.543 126 G N -1.660 107.094 108.800 -0.077 0.000 2.217 126 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.246 126 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.246 126 G C 0.158 175.027 174.900 -0.052 0.000 0.990 126 G CA 0.544 45.608 45.100 -0.060 0.000 0.627 126 G HN 0.618 nan 8.290 nan 0.000 0.522 127 K N 1.316 121.684 120.400 -0.054 0.000 2.202 127 K HA 0.446 4.766 4.320 -0.000 0.000 0.264 127 K C -2.409 174.168 176.600 -0.039 0.000 1.010 127 K CA -1.652 54.610 56.287 -0.042 0.000 0.940 127 K CB 0.619 33.095 32.500 -0.040 0.000 0.983 127 K HN 0.033 nan 8.250 nan 0.000 0.475 128 P HA -0.029 nan 4.420 nan 0.000 0.268 128 P C -0.849 176.440 177.300 -0.018 0.000 1.204 128 P CA -0.244 62.842 63.100 -0.022 0.000 0.768 128 P CB 0.449 32.140 31.700 -0.016 0.000 0.842 129 c N 4.593 123.185 118.600 -0.014 0.000 2.789 129 c HA 0.309 4.878 4.570 -0.000 0.000 0.367 129 c C -0.941 173.158 174.090 0.015 0.000 1.062 129 c CA -0.764 55.565 56.329 -0.000 0.000 1.297 129 c CB -0.526 41.979 42.510 -0.009 0.000 1.794 129 c HN 0.450 nan 8.230 nan 0.000 0.474 130 N N 3.526 122.236 118.700 0.017 0.000 2.430 130 N HA 0.394 5.134 4.740 -0.000 0.000 0.265 130 N C -0.315 175.218 175.510 0.038 0.000 1.100 130 N CA 0.043 53.103 53.050 0.017 0.000 0.961 130 N CB 1.726 40.213 38.487 -0.000 0.000 1.075 130 N HN 0.538 nan 8.380 nan 0.000 0.478 131 V N 2.398 122.345 119.914 0.056 0.000 2.472 131 V HA 0.396 4.516 4.120 -0.000 0.000 0.290 131 V C 0.283 176.381 176.094 0.007 0.000 1.037 131 V CA -0.899 61.454 62.300 0.089 0.000 0.908 131 V CB 1.707 33.656 31.823 0.209 0.000 0.985 131 V HN 0.432 nan 8.190 nan 0.000 0.454 132 V N 1.821 121.728 119.914 -0.012 0.000 2.513 132 V HA 0.705 4.825 4.120 -0.000 0.000 0.299 132 V C -0.424 175.665 176.094 -0.008 0.000 1.035 132 V CA -0.590 61.629 62.300 -0.136 0.000 0.889 132 V CB 1.646 33.351 31.823 -0.196 0.000 0.988 132 V HN 0.968 nan 8.190 nan 0.000 0.440 133 E N 4.141 124.320 120.200 -0.035 0.000 2.158 133 E HA 0.550 4.900 4.350 -0.000 0.000 0.271 133 E C -1.380 175.222 176.600 0.003 0.000 0.911 133 E CA -0.830 55.558 56.400 -0.021 0.000 0.767 133 E CB 1.802 31.499 29.700 -0.004 0.000 1.120 133 E HN 0.882 nan 8.360 nan 0.000 0.405 134 L N 5.116 126.250 121.223 -0.148 0.000 2.272 134 L HA 0.282 4.622 4.340 -0.000 0.000 0.284 134 L C 0.263 176.777 176.870 -0.594 0.000 1.045 134 L CA -0.461 54.242 54.840 -0.227 0.000 0.842 134 L CB 0.997 42.952 42.059 -0.173 0.000 1.224 134 L HN 0.499 nan 8.230 nan 0.000 0.430 135 Q N 1.370 120.783 119.800 -0.647 0.000 2.312 135 Q HA 0.350 4.690 4.340 -0.000 0.000 0.236 135 Q C 0.635 176.164 176.000 -0.785 0.000 0.965 135 Q CA -0.356 54.813 55.803 -1.056 0.000 0.894 135 Q CB 1.393 29.805 28.738 -0.544 0.000 1.225 135 Q HN 0.717 nan 8.270 nan 0.000 0.478 136 G N 0.335 108.648 108.800 -0.811 0.000 2.588 136 G HA2 0.093 4.053 3.960 -0.000 0.000 0.278 136 G HA3 0.093 4.053 3.960 -0.000 0.000 0.278 136 G C -0.443 173.984 174.900 -0.788 0.000 1.307 136 G CA -0.585 43.597 45.100 -1.531 0.000 1.016 136 G HN 0.499 nan 8.290 nan 0.000 0.503 137 T N 0.236 114.380 114.554 -0.683 0.000 2.891 137 T HA 0.086 4.435 4.350 -0.000 0.000 0.296 137 T C 0.744 175.386 174.700 -0.097 0.000 1.025 137 T CA -0.182 61.807 62.100 -0.184 0.000 1.149 137 T CB 0.517 69.419 68.868 0.056 0.000 1.007 137 T HN 0.312 nan 8.240 nan 0.000 0.528 138 V N 4.271 124.144 119.914 -0.067 0.000 2.540 138 V HA 0.344 4.464 4.120 -0.000 0.000 0.297 138 V C 1.655 177.758 176.094 0.015 0.000 1.024 138 V CA 1.379 63.662 62.300 -0.028 0.000 1.105 138 V CB 0.106 31.914 31.823 -0.026 0.000 0.938 138 V HN 1.267 nan 8.190 nan 0.000 0.482 139 G N 3.824 112.644 108.800 0.032 0.000 2.217 139 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.246 139 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.246 139 G C 0.479 175.433 174.900 0.090 0.000 0.990 139 G CA 0.129 45.264 45.100 0.058 0.000 0.627 139 G HN 1.572 nan 8.290 nan 0.000 0.522 140 A N 0.936 123.817 122.820 0.103 0.000 2.488 140 A HA 0.647 4.967 4.320 -0.000 0.000 0.249 140 A C 1.828 179.484 177.584 0.119 0.000 1.083 140 A CA 1.330 53.455 52.037 0.146 0.000 0.768 140 A CB 0.340 19.479 19.000 0.232 0.000 1.017 140 A HN 1.760 nan 8.150 nan 0.000 0.496 141 S N 2.555 118.313 115.700 0.098 0.000 2.383 141 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 141 S C 1.689 176.324 174.600 0.059 0.000 1.030 141 S CA 1.797 60.034 58.200 0.063 0.000 1.002 141 S CB -1.418 61.800 63.200 0.030 0.000 0.829 141 S HN 1.614 nan 8.310 nan 0.000 0.467 142 V N 0.268 120.229 119.914 0.079 0.000 2.515 142 V HA 0.125 4.245 4.120 -0.000 0.000 0.250 142 V C 2.747 178.897 176.094 0.092 0.000 1.058 142 V CA 1.286 63.628 62.300 0.070 0.000 1.064 142 V CB -1.785 30.072 31.823 0.056 0.000 0.675 142 V HN 0.587 nan 8.190 nan 0.000 0.461 143 A N 0.918 123.836 122.820 0.163 0.000 1.872 143 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 143 A C 2.194 179.828 177.584 0.082 0.000 1.187 143 A CA 1.902 54.032 52.037 0.156 0.000 0.614 143 A CB -0.638 18.427 19.000 0.107 0.000 0.826 143 A HN 0.538 nan 8.150 nan 0.000 0.442 144 I N 0.092 120.708 120.570 0.076 0.000 2.163 144 I HA -0.268 3.901 4.170 -0.000 0.000 0.243 144 I C 1.831 177.973 176.117 0.041 0.000 1.085 144 I CA 1.662 63.002 61.300 0.066 0.000 1.347 144 I CB -0.398 37.637 38.000 0.058 0.000 1.044 144 I HN 0.248 nan 8.210 nan 0.000 0.408 145 D N 0.435 120.845 120.400 0.018 0.000 2.123 145 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 145 D C 2.360 178.654 176.300 -0.011 0.000 0.976 145 D CA 1.022 55.028 54.000 0.008 0.000 0.831 145 D CB -0.191 40.611 40.800 0.004 0.000 0.974 145 D HN 0.237 nan 8.370 nan 0.000 0.469 146 R N 0.560 121.001 120.500 -0.098 0.000 2.115 146 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 146 R C 2.179 178.447 176.300 -0.053 0.000 1.111 146 R CA 0.928 56.934 56.100 -0.156 0.000 0.976 146 R CB -0.022 30.012 30.300 -0.442 0.000 0.870 146 R HN 0.109 nan 8.270 nan 0.000 0.445 147 K N 1.398 121.756 120.400 -0.070 0.000 2.026 147 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 147 K C 2.083 178.812 176.600 0.215 0.000 1.048 147 K CA 1.598 58.025 56.287 0.233 0.000 0.929 147 K CB 0.015 32.671 32.500 0.259 0.000 0.713 147 K HN -0.048 nan 8.250 nan 0.000 0.439 148 K N -0.297 120.176 120.400 0.122 0.000 2.026 148 K HA -0.115 4.204 4.320 -0.000 0.000 0.208 148 K C 2.082 178.733 176.600 0.085 0.000 1.048 148 K CA 1.701 58.044 56.287 0.092 0.000 0.929 148 K CB -0.418 32.117 32.500 0.058 0.000 0.713 148 K HN 0.328 nan 8.250 nan 0.000 0.439 149 G N 0.626 109.478 108.800 0.086 0.000 2.446 149 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 149 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 149 G C 1.352 176.290 174.900 0.064 0.000 1.168 149 G CA 0.747 45.886 45.100 0.065 0.000 0.771 149 G HN 0.405 nan 8.290 nan 0.000 0.551 150 F N 2.328 122.244 119.950 -0.057 0.000 2.102 150 F HA 0.099 4.626 4.527 -0.001 0.000 0.298 150 F C 2.826 178.566 175.800 -0.100 0.000 1.105 150 F CA 1.378 59.271 58.000 -0.178 0.000 1.239 150 F CB -0.261 38.470 39.000 -0.449 0.000 0.991 150 F HN 0.228 nan 8.300 nan 0.000 0.474 151 A N 0.168 123.048 122.820 0.100 0.000 1.908 151 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 151 A C 2.157 179.692 177.584 -0.081 0.000 1.181 151 A CA 1.889 53.938 52.037 0.019 0.000 0.627 151 A CB -0.765 18.296 19.000 0.102 0.000 0.818 151 A HN 0.452 nan 8.150 nan 0.000 0.445 152 E N -0.169 119.998 120.200 -0.055 0.000 2.072 152 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 152 E C 2.327 178.858 176.600 -0.114 0.000 0.985 152 E CA 1.190 57.551 56.400 -0.064 0.000 0.801 152 E CB -0.593 29.088 29.700 -0.032 0.000 0.750 152 E HN 0.584 nan 8.360 nan 0.000 0.452 153 A N 1.646 124.366 122.820 -0.167 0.000 1.972 153 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 153 A C 2.197 179.628 177.584 -0.254 0.000 1.169 153 A CA 1.266 53.184 52.037 -0.199 0.000 0.635 153 A CB -0.682 18.186 19.000 -0.220 0.000 0.810 153 A HN 0.380 nan 8.150 nan 0.000 0.446 154 I N -4.317 116.045 120.570 -0.347 0.000 3.883 154 I HA 0.264 4.433 4.170 -0.000 0.000 0.326 154 I C 1.644 177.650 176.117 -0.184 0.000 1.283 154 I CA 0.649 61.759 61.300 -0.316 0.000 1.161 154 I CB 0.094 37.818 38.000 -0.460 0.000 1.012 154 I HN -0.019 nan 8.210 nan 0.000 0.421 155 K N 2.291 122.606 120.400 -0.142 0.000 2.103 155 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 155 K C 1.677 178.231 176.600 -0.075 0.000 1.048 155 K CA 1.654 57.888 56.287 -0.089 0.000 0.930 155 K CB -0.274 32.186 32.500 -0.067 0.000 0.716 155 K HN 0.361 nan 8.250 nan 0.000 0.444 156 N N -0.541 118.112 118.700 -0.080 0.000 2.370 156 N HA 0.118 4.858 4.740 -0.000 0.000 0.198 156 N C -1.283 174.184 175.510 -0.071 0.000 1.156 156 N CA 0.267 53.278 53.050 -0.066 0.000 0.839 156 N CB 0.504 38.955 38.487 -0.059 0.000 0.989 156 N HN 0.183 nan 8.380 nan 0.000 0.468 157 A N 0.473 123.241 122.820 -0.086 0.000 3.105 157 A HA 0.395 4.715 4.320 -0.000 0.000 0.336 157 A C -1.776 175.762 177.584 -0.075 0.000 1.042 157 A CA -1.037 50.949 52.037 -0.086 0.000 0.851 157 A CB 0.651 19.584 19.000 -0.112 0.000 1.068 157 A HN 0.100 nan 8.150 nan 0.000 0.477 158 P HA -0.148 nan 4.420 nan 0.000 0.226 158 P C 1.066 178.342 177.300 -0.039 0.000 1.153 158 P CA 0.830 63.903 63.100 -0.045 0.000 0.777 158 P CB -0.003 31.675 31.700 -0.036 0.000 0.794 159 N N 0.988 119.661 118.700 -0.044 0.000 2.258 159 N HA -0.145 4.595 4.740 -0.000 0.000 0.187 159 N C 0.640 176.127 175.510 -0.038 0.000 1.012 159 N CA 0.789 53.815 53.050 -0.040 0.000 0.870 159 N CB -1.001 37.459 38.487 -0.045 0.000 0.977 159 N HN 0.251 nan 8.380 nan 0.000 0.434 160 I N 0.896 121.438 120.570 -0.048 0.000 2.342 160 I HA 0.131 4.300 4.170 -0.000 0.000 0.291 160 I C -0.313 175.794 176.117 -0.018 0.000 1.010 160 I CA -0.543 60.736 61.300 -0.035 0.000 1.308 160 I CB 1.250 39.208 38.000 -0.070 0.000 1.400 160 I HN -0.172 nan 8.210 nan 0.000 0.488 161 K N 6.627 127.032 120.400 0.009 0.000 2.471 161 K HA 0.568 4.888 4.320 -0.000 0.000 0.252 161 K C -0.613 176.011 176.600 0.040 0.000 0.938 161 K CA -0.626 55.670 56.287 0.015 0.000 0.796 161 K CB 2.367 34.867 32.500 -0.001 0.000 1.161 161 K HN 0.467 nan 8.250 nan 0.000 0.425 162 I N 3.931 124.537 120.570 0.061 0.000 2.363 162 I HA 0.177 4.347 4.170 -0.000 0.000 0.292 162 I C 1.546 177.657 176.117 -0.010 0.000 1.075 162 I CA 0.040 61.376 61.300 0.060 0.000 1.333 162 I CB 0.381 38.450 38.000 0.114 0.000 1.415 162 I HN 0.764 nan 8.210 nan 0.000 0.502 163 I N 2.915 123.448 120.570 -0.061 0.000 3.854 163 I HA 0.291 4.461 4.170 -0.000 0.000 0.312 163 I C 0.539 176.545 176.117 -0.185 0.000 1.273 163 I CA 0.247 61.489 61.300 -0.097 0.000 1.298 163 I CB 0.090 38.038 38.000 -0.085 0.000 1.071 163 I HN 0.387 nan 8.210 nan 0.000 0.428 164 R N 1.147 121.462 120.500 -0.308 0.000 2.651 164 R HA 0.628 4.968 4.340 -0.000 0.000 0.278 164 R C -1.338 174.697 176.300 -0.442 0.000 1.010 164 R CA -0.450 55.319 56.100 -0.553 0.000 0.896 164 R CB 2.042 31.548 30.300 -1.323 0.000 1.211 164 R HN 0.128 nan 8.270 nan 0.000 0.456 165 S N 1.905 117.471 115.700 -0.223 0.000 2.652 165 S HA 0.433 4.903 4.470 -0.000 0.000 0.273 165 S C -1.524 173.139 174.600 0.105 0.000 1.172 165 S CA -0.542 57.642 58.200 -0.026 0.000 1.009 165 S CB 0.845 64.036 63.200 -0.014 0.000 1.094 165 S HN 0.415 nan 8.310 nan 0.000 0.471 166 Q N 1.424 121.350 119.800 0.209 0.000 2.462 166 Q HA 0.378 4.718 4.340 -0.000 0.000 0.285 166 Q C -0.879 175.090 176.000 -0.052 0.000 1.035 166 Q CA -0.670 55.196 55.803 0.104 0.000 0.799 166 Q CB 2.026 30.863 28.738 0.164 0.000 1.452 166 Q HN 0.646 nan 8.270 nan 0.000 0.404 167 S N -0.439 115.195 115.700 -0.110 0.000 2.531 167 S HA 0.399 4.869 4.470 -0.000 0.000 0.279 167 S C 0.730 175.213 174.600 -0.194 0.000 1.305 167 S CA 0.429 58.511 58.200 -0.195 0.000 1.058 167 S CB 0.201 63.299 63.200 -0.169 0.000 0.899 167 S HN 0.713 nan 8.310 nan 0.000 0.493 168 G N 2.155 110.810 108.800 -0.241 0.000 3.502 168 G HA2 0.236 4.196 3.960 -0.000 0.000 0.267 168 G HA3 0.236 4.196 3.960 -0.000 0.000 0.267 168 G C -0.047 174.764 174.900 -0.148 0.000 1.090 168 G CA -0.243 44.744 45.100 -0.189 0.000 0.795 168 G HN 0.830 nan 8.290 nan 0.000 0.535 169 D N -0.890 119.401 120.400 -0.182 0.000 3.039 169 D HA -0.227 4.412 4.640 -0.000 0.000 0.222 169 D C 0.786 177.107 176.300 0.036 0.000 1.179 169 D CA 0.992 54.934 54.000 -0.098 0.000 0.880 169 D CB -1.534 39.246 40.800 -0.033 0.000 1.115 169 D HN 0.360 nan 8.370 nan 0.000 0.416 170 F N -2.003 117.927 119.950 -0.034 0.000 3.006 170 F HA -0.276 4.251 4.527 0.000 0.000 0.289 170 F C 1.230 177.027 175.800 -0.005 0.000 0.772 170 F CA 1.267 59.256 58.000 -0.017 0.000 1.162 170 F CB -2.427 36.579 39.000 0.010 0.000 1.382 170 F HN 0.205 nan 8.300 nan 0.000 0.406 171 T N -3.687 110.945 114.554 0.130 0.000 2.918 171 T HA 0.559 4.909 4.350 -0.000 0.000 0.286 171 T C 1.028 175.750 174.700 0.037 0.000 1.026 171 T CA -0.435 61.714 62.100 0.080 0.000 1.031 171 T CB 2.524 71.422 68.868 0.051 0.000 1.046 171 T HN 0.226 nan 8.240 nan 0.000 0.479 172 R N 0.783 121.302 120.500 0.032 0.000 2.073 172 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 172 R C 2.543 178.837 176.300 -0.010 0.000 1.134 172 R CA 1.800 57.905 56.100 0.009 0.000 0.952 172 R CB -0.667 29.641 30.300 0.014 0.000 0.850 172 R HN 0.742 nan 8.270 nan 0.000 0.433 173 S N 0.173 115.868 115.700 -0.007 0.000 2.356 173 S HA -0.172 4.298 4.470 -0.000 0.000 0.223 173 S C 1.868 176.444 174.600 -0.040 0.000 1.032 173 S CA 1.731 59.919 58.200 -0.020 0.000 1.005 173 S CB -0.120 63.073 63.200 -0.012 0.000 0.867 173 S HN 0.238 nan 8.310 nan 0.000 0.449 174 K N 0.733 121.107 120.400 -0.042 0.000 2.103 174 K HA 0.145 4.465 4.320 -0.000 0.000 0.204 174 K C 2.025 178.561 176.600 -0.107 0.000 1.052 174 K CA 1.410 57.654 56.287 -0.072 0.000 0.945 174 K CB -1.160 31.301 32.500 -0.065 0.000 0.722 174 K HN 0.365 nan 8.250 nan 0.000 0.443 175 G N 1.039 109.786 108.800 -0.089 0.000 2.440 175 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 175 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 175 G C 1.537 176.366 174.900 -0.119 0.000 1.154 175 G CA 1.193 46.228 45.100 -0.109 0.000 0.767 175 G HN 0.407 nan 8.290 nan 0.000 0.552 176 K N 0.447 120.796 120.400 -0.085 0.000 2.026 176 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 176 K C 2.365 178.901 176.600 -0.107 0.000 1.048 176 K CA 1.621 57.862 56.287 -0.077 0.000 0.929 176 K CB -0.263 32.208 32.500 -0.049 0.000 0.713 176 K HN 0.448 nan 8.250 nan 0.000 0.439 177 E N 0.124 120.257 120.200 -0.111 0.000 2.058 177 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 177 E C 1.847 178.327 176.600 -0.201 0.000 0.997 177 E CA 1.597 57.923 56.400 -0.124 0.000 0.801 177 E CB 0.094 29.732 29.700 -0.103 0.000 0.746 177 E HN 0.175 nan 8.360 nan 0.000 0.450 178 V N 0.908 120.651 119.914 -0.285 0.000 2.358 178 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 178 V C 2.450 178.097 176.094 -0.745 0.000 1.047 178 V CA 1.790 63.772 62.300 -0.529 0.000 1.035 178 V CB -0.451 31.036 31.823 -0.559 0.000 0.658 178 V HN 0.365 nan 8.190 nan 0.000 0.452 179 M N 0.386 119.716 119.600 -0.450 0.000 2.117 179 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 179 M C 1.967 178.195 176.300 -0.121 0.000 1.065 179 M CA 1.797 56.951 55.300 -0.243 0.000 1.114 179 M CB -0.622 31.928 32.600 -0.083 0.000 1.361 179 M HN 0.377 nan 8.290 nan 0.000 0.408 180 E N -0.648 119.479 120.200 -0.121 0.000 2.085 180 E HA -0.214 4.135 4.350 -0.000 0.000 0.194 180 E C 1.982 178.557 176.600 -0.042 0.000 0.994 180 E CA 1.825 58.189 56.400 -0.060 0.000 0.801 180 E CB -0.312 29.352 29.700 -0.060 0.000 0.743 180 E HN 0.744 nan 8.360 nan 0.000 0.453 181 S N 0.338 115.975 115.700 -0.104 0.000 2.383 181 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 181 S C 1.865 176.535 174.600 0.116 0.000 1.026 181 S CA 0.704 58.881 58.200 -0.038 0.000 0.981 181 S CB -0.402 62.739 63.200 -0.098 0.000 0.818 181 S HN 0.098 nan 8.310 nan 0.000 0.472 182 F N 1.971 121.912 119.950 -0.015 0.000 2.134 182 F HA 0.165 4.691 4.527 -0.001 0.000 0.299 182 F C 2.290 178.088 175.800 -0.004 0.000 1.097 182 F CA -0.314 57.679 58.000 -0.011 0.000 1.264 182 F CB -1.135 37.857 39.000 -0.014 0.000 1.001 182 F HN 0.208 nan 8.300 nan 0.000 0.479 183 I N 0.003 120.688 120.570 0.191 0.000 2.163 183 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 183 I C 2.289 178.451 176.117 0.075 0.000 1.085 183 I CA 1.477 62.840 61.300 0.105 0.000 1.347 183 I CB -0.451 37.590 38.000 0.068 0.000 1.044 183 I HN 0.074 nan 8.210 nan 0.000 0.408 184 K N 0.676 121.116 120.400 0.066 0.000 2.211 184 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 184 K C 1.974 178.605 176.600 0.051 0.000 1.050 184 K CA 1.317 57.632 56.287 0.046 0.000 0.945 184 K CB -0.167 32.352 32.500 0.033 0.000 0.732 184 K HN 0.313 nan 8.250 nan 0.000 0.451 185 A N 0.901 123.766 122.820 0.076 0.000 2.208 185 A HA -0.028 4.292 4.320 -0.000 0.000 0.209 185 A C 0.513 178.123 177.584 0.042 0.000 1.161 185 A CA 0.733 52.808 52.037 0.064 0.000 0.782 185 A CB 0.285 19.341 19.000 0.092 0.000 0.816 185 A HN 0.056 nan 8.150 nan 0.000 0.477 186 E N 0.387 120.615 120.200 0.045 0.000 4.044 186 E HA 0.107 4.457 4.350 -0.000 0.000 0.216 186 E C -0.697 175.919 176.600 0.026 0.000 1.104 186 E CA -0.538 55.878 56.400 0.027 0.000 1.383 186 E CB -0.307 29.406 29.700 0.022 0.000 1.195 186 E HN 0.400 nan 8.360 nan 0.000 0.442 187 N N 1.992 120.706 118.700 0.023 0.000 2.708 187 N HA -0.259 4.481 4.740 -0.000 0.000 0.255 187 N C -0.889 174.635 175.510 0.023 0.000 1.046 187 N CA 1.071 54.133 53.050 0.020 0.000 0.715 187 N CB -1.947 36.549 38.487 0.015 0.000 0.895 187 N HN 0.538 nan 8.380 nan 0.000 0.545 188 N N -0.879 117.837 118.700 0.027 0.000 2.721 188 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 188 N C 0.962 176.491 175.510 0.032 0.000 1.072 188 N CA 1.390 54.456 53.050 0.027 0.000 0.710 188 N CB -1.264 37.235 38.487 0.021 0.000 0.993 188 N HN 1.009 nan 8.380 nan 0.000 0.547 189 G N -0.792 108.032 108.800 0.040 0.000 2.179 189 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.260 189 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.260 189 G C 0.861 175.782 174.900 0.036 0.000 0.977 189 G CA 0.866 45.993 45.100 0.045 0.000 0.641 189 G HN 0.513 nan 8.290 nan 0.000 0.533 190 K N -0.207 120.210 120.400 0.028 0.000 2.283 190 K HA -0.010 4.310 4.320 -0.000 0.000 0.202 190 K C 1.766 178.378 176.600 0.019 0.000 1.048 190 K CA 1.115 57.415 56.287 0.022 0.000 0.948 190 K CB -0.077 32.434 32.500 0.018 0.000 0.742 190 K HN 0.306 nan 8.250 nan 0.000 0.458 191 N N 0.799 119.510 118.700 0.018 0.000 2.314 191 N HA 0.095 4.835 4.740 -0.000 0.000 0.200 191 N C -0.673 174.844 175.510 0.011 0.000 1.135 191 N CA 0.064 53.120 53.050 0.011 0.000 0.835 191 N CB 0.300 38.790 38.487 0.005 0.000 0.989 191 N HN 0.030 nan 8.380 nan 0.000 0.478 192 I N -0.117 120.467 120.570 0.022 0.000 2.378 192 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 192 I C 0.889 177.029 176.117 0.039 0.000 0.992 192 I CA -0.724 60.593 61.300 0.029 0.000 1.154 192 I CB 1.715 39.742 38.000 0.045 0.000 1.315 192 I HN 0.055 nan 8.210 nan 0.000 0.448 193 c N 7.146 125.772 118.600 0.043 0.000 2.525 193 c HA 0.367 4.937 4.570 -0.000 0.000 0.291 193 c C 0.432 174.570 174.090 0.080 0.000 1.351 193 c CA 0.116 56.475 56.329 0.050 0.000 1.771 193 c CB 0.335 42.867 42.510 0.036 0.000 2.177 193 c HN 0.785 nan 8.230 nan 0.000 0.510 194 M N 0.910 120.569 119.600 0.098 0.000 2.414 194 M HA 0.441 4.921 4.480 -0.000 0.000 0.287 194 M C -2.153 174.231 176.300 0.138 0.000 1.181 194 M CA -0.273 55.113 55.300 0.144 0.000 0.933 194 M CB 1.784 34.497 32.600 0.189 0.000 1.732 194 M HN -0.014 nan 8.290 nan 0.000 0.486 195 V N 6.139 126.140 119.914 0.145 0.000 2.398 195 V HA 0.496 4.616 4.120 -0.000 0.000 0.286 195 V C -1.900 174.283 176.094 0.148 0.000 1.026 195 V CA -0.291 62.085 62.300 0.127 0.000 0.868 195 V CB 1.559 33.446 31.823 0.106 0.000 0.982 195 V HN 0.781 nan 8.190 nan 0.000 0.443 196 Y N 6.854 127.109 120.300 -0.074 0.000 2.342 196 Y HA 0.774 5.324 4.550 -0.000 0.000 0.338 196 Y C 0.011 175.841 175.900 -0.118 0.000 0.965 196 Y CA -0.918 57.067 58.100 -0.192 0.000 1.159 196 Y CB 1.053 39.127 38.460 -0.643 0.000 1.157 196 Y HN 0.846 nan 8.280 nan 0.000 0.486 197 A N 5.584 128.199 122.820 -0.342 0.000 2.330 197 A HA 0.344 4.664 4.320 -0.000 0.000 0.327 197 A C 0.101 177.462 177.584 -0.372 0.000 1.155 197 A CA -0.638 51.187 52.037 -0.355 0.000 0.803 197 A CB 0.331 19.248 19.000 -0.139 0.000 1.208 197 A HN 1.058 nan 8.150 nan 0.000 0.477 198 H N 1.103 119.894 119.070 -0.465 0.000 2.521 198 H HA -0.087 4.469 4.556 -0.000 0.000 0.286 198 H C 0.419 175.792 175.328 0.074 0.000 1.034 198 H CA 0.994 56.902 56.048 -0.234 0.000 1.278 198 H CB 0.313 29.986 29.762 -0.149 0.000 1.386 198 H HN 0.778 nan 8.280 nan 0.000 0.567 199 N N -0.292 118.534 118.700 0.211 0.000 2.455 199 N HA -0.019 4.721 4.740 -0.000 0.000 0.278 199 N C -0.199 175.332 175.510 0.035 0.000 1.291 199 N CA -0.610 52.506 53.050 0.110 0.000 0.780 199 N CB 1.231 39.783 38.487 0.108 0.000 1.520 199 N HN -0.265 nan 8.380 nan 0.000 0.486 200 D N 0.075 120.472 120.400 -0.005 0.000 2.123 200 D HA -0.149 4.490 4.640 -0.000 0.000 0.196 200 D C 0.636 176.930 176.300 -0.009 0.000 0.992 200 D CA 1.307 55.287 54.000 -0.033 0.000 0.833 200 D CB 0.003 40.761 40.800 -0.071 0.000 0.954 200 D HN 0.584 nan 8.370 nan 0.000 0.455 201 D N -0.000 120.416 120.400 0.028 0.000 2.117 201 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 201 D C 2.202 178.517 176.300 0.024 0.000 0.987 201 D CA 0.662 54.683 54.000 0.035 0.000 0.829 201 D CB -0.091 40.751 40.800 0.070 0.000 0.961 201 D HN 0.267 nan 8.370 nan 0.000 0.460 202 M N 0.112 119.732 119.600 0.033 0.000 2.117 202 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 202 M C 2.419 178.703 176.300 -0.028 0.000 1.065 202 M CA 0.795 56.091 55.300 -0.007 0.000 1.114 202 M CB -0.107 32.475 32.600 -0.030 0.000 1.361 202 M HN -0.126 nan 8.290 nan 0.000 0.408 203 V N 0.510 120.409 119.914 -0.024 0.000 2.667 203 V HA -0.200 3.920 4.120 -0.000 0.000 0.252 203 V C 2.007 178.090 176.094 -0.018 0.000 1.065 203 V CA 1.408 63.695 62.300 -0.023 0.000 1.083 203 V CB -0.241 31.568 31.823 -0.023 0.000 0.692 203 V HN 0.381 nan 8.190 nan 0.000 0.468 204 I N 0.103 120.660 120.570 -0.021 0.000 2.315 204 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 204 I C 2.526 178.634 176.117 -0.014 0.000 1.117 204 I CA 1.500 62.789 61.300 -0.019 0.000 1.404 204 I CB -0.830 37.157 38.000 -0.021 0.000 1.071 204 I HN 0.397 nan 8.210 nan 0.000 0.419 205 G N 0.549 109.340 108.800 -0.016 0.000 2.418 205 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 205 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 205 G C 1.872 176.757 174.900 -0.025 0.000 1.158 205 G CA 0.823 45.909 45.100 -0.022 0.000 0.771 205 G HN 0.482 nan 8.290 nan 0.000 0.545 206 A N 0.772 123.577 122.820 -0.025 0.000 1.902 206 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 206 A C 2.396 179.981 177.584 0.001 0.000 1.181 206 A CA 1.328 53.356 52.037 -0.015 0.000 0.623 206 A CB -0.382 18.617 19.000 -0.002 0.000 0.818 206 A HN 0.383 nan 8.150 nan 0.000 0.443 207 I N -0.408 120.163 120.570 0.002 0.000 2.208 207 I HA -0.355 3.815 4.170 -0.000 0.000 0.245 207 I C 2.818 178.938 176.117 0.005 0.000 1.097 207 I CA 1.664 62.969 61.300 0.008 0.000 1.363 207 I CB -0.410 37.592 38.000 0.003 0.000 1.051 207 I HN 0.468 nan 8.210 nan 0.000 0.413 208 Q N 0.452 120.251 119.800 -0.002 0.000 2.061 208 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 208 Q C 2.495 178.494 176.000 -0.002 0.000 0.984 208 Q CA 1.854 57.656 55.803 -0.003 0.000 0.846 208 Q CB -0.360 28.373 28.738 -0.008 0.000 0.902 208 Q HN 0.600 nan 8.270 nan 0.000 0.421 209 A N 0.887 123.703 122.820 -0.006 0.000 1.902 209 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 209 A C 2.058 179.647 177.584 0.008 0.000 1.181 209 A CA 1.221 53.255 52.037 -0.006 0.000 0.623 209 A CB -0.653 18.336 19.000 -0.018 0.000 0.818 209 A HN 0.307 nan 8.150 nan 0.000 0.443 210 I N -0.519 120.060 120.570 0.015 0.000 2.179 210 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 210 I C 2.496 178.625 176.117 0.021 0.000 1.088 210 I CA 1.591 62.906 61.300 0.025 0.000 1.357 210 I CB -0.264 37.756 38.000 0.033 0.000 1.051 210 I HN 0.273 nan 8.210 nan 0.000 0.409 211 K N 0.653 121.062 120.400 0.016 0.000 2.057 211 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 211 K C 1.960 178.567 176.600 0.011 0.000 1.049 211 K CA 1.484 57.779 56.287 0.014 0.000 0.931 211 K CB -0.189 32.318 32.500 0.011 0.000 0.714 211 K HN 0.387 nan 8.250 nan 0.000 0.440 212 E N 0.259 120.463 120.200 0.008 0.000 2.268 212 E HA -0.122 4.227 4.350 -0.000 0.000 0.195 212 E C 1.602 178.207 176.600 0.008 0.000 0.995 212 E CA 0.686 57.090 56.400 0.006 0.000 0.836 212 E CB 0.034 29.735 29.700 0.001 0.000 0.763 212 E HN 0.293 nan 8.360 nan 0.000 0.491 213 A N 0.206 123.033 122.820 0.012 0.000 2.238 213 A HA 0.228 4.548 4.320 -0.000 0.000 0.208 213 A C 1.692 179.286 177.584 0.016 0.000 1.177 213 A CA 0.786 52.832 52.037 0.015 0.000 0.804 213 A CB -0.206 18.806 19.000 0.020 0.000 0.823 213 A HN 0.315 nan 8.150 nan 0.000 0.482 214 G N -1.518 107.291 108.800 0.015 0.000 2.132 214 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.234 214 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.234 214 G C -0.001 174.910 174.900 0.018 0.000 0.989 214 G CA 0.353 45.462 45.100 0.015 0.000 0.676 214 G HN 0.428 nan 8.290 nan 0.000 0.522 215 L N -0.362 120.874 121.223 0.021 0.000 2.332 215 L HA 0.647 4.987 4.340 -0.000 0.000 0.269 215 L C 0.215 177.101 176.870 0.027 0.000 1.016 215 L CA -1.238 53.617 54.840 0.025 0.000 0.809 215 L CB 1.153 43.230 42.059 0.030 0.000 1.280 215 L HN -0.192 nan 8.230 nan 0.000 0.447 216 K N 2.719 123.137 120.400 0.030 0.000 2.292 216 K HA 0.345 4.665 4.320 -0.000 0.000 0.270 216 K C -2.464 174.160 176.600 0.040 0.000 1.062 216 K CA -1.899 54.407 56.287 0.032 0.000 0.916 216 K CB 1.038 33.557 32.500 0.032 0.000 1.166 216 K HN 0.201 nan 8.250 nan 0.000 0.458 217 P HA 0.019 nan 4.420 nan 0.000 0.271 217 P C 0.729 178.061 177.300 0.053 0.000 1.216 217 P CA 0.495 63.622 63.100 0.045 0.000 0.776 217 P CB 0.847 32.568 31.700 0.035 0.000 0.881 218 G N 2.123 110.966 108.800 0.071 0.000 2.217 218 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.246 218 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.246 218 G C 0.772 175.727 174.900 0.092 0.000 0.990 218 G CA 0.805 45.957 45.100 0.087 0.000 0.627 218 G HN 0.664 nan 8.290 nan 0.000 0.522 219 K N -0.909 119.536 120.400 0.074 0.000 2.524 219 K HA 0.179 4.499 4.320 -0.000 0.000 0.210 219 K C 1.528 178.162 176.600 0.058 0.000 1.340 219 K CA 0.448 56.774 56.287 0.064 0.000 0.880 219 K CB 0.064 32.594 32.500 0.050 0.000 1.616 219 K HN -0.001 nan 8.250 nan 0.000 0.457 220 D N 0.784 121.214 120.400 0.050 0.000 2.117 220 D HA 0.012 4.652 4.640 -0.000 0.000 0.198 220 D C 0.329 176.662 176.300 0.054 0.000 0.982 220 D CA 1.135 55.162 54.000 0.045 0.000 0.828 220 D CB 0.436 41.259 40.800 0.038 0.000 0.967 220 D HN 0.228 nan 8.370 nan 0.000 0.464 221 I N 1.489 122.097 120.570 0.065 0.000 2.439 221 I HA 0.171 4.341 4.170 -0.000 0.000 0.285 221 I C -0.231 175.947 176.117 0.103 0.000 1.021 221 I CA -0.597 60.750 61.300 0.079 0.000 1.091 221 I CB 2.180 40.224 38.000 0.074 0.000 1.242 221 I HN -0.274 nan 8.210 nan 0.000 0.439 222 L N 4.998 126.302 121.223 0.136 0.000 2.464 222 L HA 0.378 4.718 4.340 -0.000 0.000 0.264 222 L C 0.647 177.636 176.870 0.198 0.000 1.199 222 L CA -0.116 54.845 54.840 0.202 0.000 0.818 222 L CB 0.812 43.043 42.059 0.287 0.000 1.102 222 L HN 0.612 nan 8.230 nan 0.000 0.473 223 T N -1.231 113.435 114.554 0.188 0.000 2.841 223 T HA 0.731 5.081 4.350 -0.000 0.000 0.283 223 T C -0.342 174.405 174.700 0.079 0.000 1.000 223 T CA -0.659 61.514 62.100 0.122 0.000 0.977 223 T CB 1.801 70.699 68.868 0.049 0.000 0.979 223 T HN 0.776 nan 8.240 nan 0.000 0.446 224 G N 1.432 110.305 108.800 0.121 0.000 2.707 224 G HA2 0.654 4.614 3.960 -0.000 0.000 0.299 224 G HA3 0.654 4.614 3.960 -0.000 0.000 0.299 224 G C -0.738 174.246 174.900 0.140 0.000 1.442 224 G CA -0.562 44.584 45.100 0.077 0.000 1.009 224 G HN 1.316 nan 8.290 nan 0.000 0.515 225 S N 0.570 116.300 115.700 0.049 0.000 2.688 225 S HA 0.797 5.267 4.470 -0.000 0.000 0.275 225 S C -1.175 173.436 174.600 0.018 0.000 1.175 225 S CA -0.878 57.340 58.200 0.030 0.000 0.818 225 S CB 1.445 64.629 63.200 -0.027 0.000 1.157 225 S HN 0.612 nan 8.310 nan 0.000 0.482 226 I N 0.703 121.270 120.570 -0.004 0.000 2.582 226 I HA 0.606 4.776 4.170 -0.000 0.000 0.292 226 I C -0.678 175.396 176.117 -0.070 0.000 1.066 226 I CA -0.400 60.887 61.300 -0.022 0.000 1.053 226 I CB 2.180 40.172 38.000 -0.015 0.000 1.241 226 I HN 0.838 nan 8.210 nan 0.000 0.421 227 D N 3.048 123.414 120.400 -0.057 0.000 4.047 227 D HA -0.043 4.597 4.640 -0.000 0.000 0.275 227 D C 0.847 177.219 176.300 0.119 0.000 0.390 227 D CA 1.122 55.098 54.000 -0.039 0.000 0.715 227 D CB -0.579 40.212 40.800 -0.015 0.000 1.577 227 D HN 0.916 nan 8.370 nan 0.000 0.290 228 G N 1.649 110.455 108.800 0.010 0.000 2.289 228 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.280 228 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.280 228 G C 0.381 175.261 174.900 -0.033 0.000 1.089 228 G CA 0.736 45.818 45.100 -0.030 0.000 0.939 228 G HN 1.101 nan 8.290 nan 0.000 0.499 229 V N -2.658 117.161 119.914 -0.159 0.000 2.881 229 V HA 0.599 4.719 4.120 -0.000 0.000 0.303 229 V C -0.104 175.767 176.094 -0.371 0.000 1.070 229 V CA -0.959 61.150 62.300 -0.320 0.000 1.074 229 V CB 1.079 32.844 31.823 -0.097 0.000 1.012 229 V HN 0.056 nan 8.190 nan 0.000 0.482 230 P HA -0.147 nan 4.420 nan 0.000 0.216 230 P C 0.962 178.209 177.300 -0.087 0.000 1.154 230 P CA 1.818 64.820 63.100 -0.163 0.000 0.865 230 P CB 0.086 31.664 31.700 -0.203 0.000 0.789 231 D N -1.533 118.792 120.400 -0.124 0.000 2.264 231 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 231 D C 1.740 177.970 176.300 -0.117 0.000 0.966 231 D CA 0.577 54.528 54.000 -0.083 0.000 0.864 231 D CB -0.630 40.137 40.800 -0.055 0.000 0.933 231 D HN 0.116 nan 8.370 nan 0.000 0.499 232 I N -0.075 120.357 120.570 -0.231 0.000 2.353 232 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 232 I C 1.458 177.399 176.117 -0.292 0.000 1.119 232 I CA 1.104 62.227 61.300 -0.296 0.000 1.417 232 I CB -0.172 37.581 38.000 -0.412 0.000 1.078 232 I HN -0.058 nan 8.210 nan 0.000 0.421 233 Y N 0.680 120.934 120.300 -0.077 0.000 2.263 233 Y HA -0.115 4.436 4.550 0.000 0.000 0.292 233 Y C 2.387 178.254 175.900 -0.055 0.000 1.130 233 Y CA 1.079 59.135 58.100 -0.074 0.000 1.179 233 Y CB -0.853 37.543 38.460 -0.107 0.000 0.998 233 Y HN 0.084 nan 8.280 nan 0.000 0.532 234 K N -0.012 120.431 120.400 0.070 0.000 2.057 234 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 234 K C 2.399 179.009 176.600 0.016 0.000 1.049 234 K CA 1.193 57.499 56.287 0.032 0.000 0.931 234 K CB -0.394 32.112 32.500 0.009 0.000 0.714 234 K HN 0.281 nan 8.250 nan 0.000 0.440 235 A N 1.420 124.235 122.820 -0.008 0.000 1.902 235 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 235 A C 2.156 179.744 177.584 0.006 0.000 1.181 235 A CA 1.496 53.527 52.037 -0.009 0.000 0.623 235 A CB -0.467 18.514 19.000 -0.032 0.000 0.818 235 A HN 0.183 nan 8.150 nan 0.000 0.443 236 M N -1.291 118.316 119.600 0.012 0.000 2.108 236 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 236 M C 2.357 178.684 176.300 0.045 0.000 1.066 236 M CA 1.816 57.138 55.300 0.036 0.000 1.107 236 M CB -0.459 32.182 32.600 0.069 0.000 1.356 236 M HN 0.414 nan 8.290 nan 0.000 0.406 237 M N -0.331 119.297 119.600 0.047 0.000 2.279 237 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 237 M C 0.697 177.014 176.300 0.029 0.000 1.062 237 M CA 1.089 56.411 55.300 0.038 0.000 1.099 237 M CB -0.340 32.280 32.600 0.033 0.000 1.394 237 M HN 0.101 nan 8.290 nan 0.000 0.426 238 D N -0.308 120.107 120.400 0.025 0.000 2.340 238 D HA 0.123 4.763 4.640 -0.000 0.000 0.220 238 D C 1.297 177.612 176.300 0.026 0.000 1.039 238 D CA 0.746 54.759 54.000 0.022 0.000 0.866 238 D CB 0.153 40.963 40.800 0.016 0.000 0.913 238 D HN 0.492 nan 8.370 nan 0.000 0.523 239 G N 1.333 110.152 108.800 0.032 0.000 2.143 239 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.248 239 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.248 239 G C 0.716 175.639 174.900 0.039 0.000 0.991 239 G CA 0.151 45.274 45.100 0.039 0.000 0.689 239 G HN 0.420 nan 8.290 nan 0.000 0.522 240 E N -0.514 119.704 120.200 0.030 0.000 2.498 240 E HA 0.517 4.867 4.350 -0.000 0.000 0.203 240 E C 0.916 177.531 176.600 0.025 0.000 1.013 240 E CA 0.556 56.973 56.400 0.028 0.000 0.927 240 E CB 0.842 30.553 29.700 0.019 0.000 1.012 240 E HN 0.809 nan 8.360 nan 0.000 0.482 241 A N 0.573 123.404 122.820 0.018 0.000 2.475 241 A HA 0.478 4.798 4.320 -0.000 0.000 0.301 241 A C -0.138 177.446 177.584 0.000 0.000 1.059 241 A CA -0.721 51.316 52.037 -0.000 0.000 0.710 241 A CB 1.205 20.180 19.000 -0.041 0.000 1.288 241 A HN -0.042 nan 8.150 nan 0.000 0.408 242 N N 0.032 118.714 118.700 -0.029 0.000 2.564 242 N HA 0.327 5.067 4.740 -0.000 0.000 0.202 242 N C 0.191 175.508 175.510 -0.320 0.000 1.052 242 N CA 1.116 54.135 53.050 -0.051 0.000 0.872 242 N CB 0.901 39.480 38.487 0.153 0.000 1.303 242 N HN 0.886 nan 8.380 nan 0.000 0.440 243 A N 0.377 122.905 122.820 -0.487 0.000 2.517 243 A HA 0.615 4.935 4.320 -0.000 0.000 0.297 243 A C -1.159 176.223 177.584 -0.337 0.000 1.050 243 A CA -0.401 51.243 52.037 -0.654 0.000 0.694 243 A CB 1.907 19.975 19.000 -1.552 0.000 1.277 243 A HN -0.045 nan 8.150 nan 0.000 0.400 244 S N 0.896 116.480 115.700 -0.193 0.000 2.536 244 S HA 0.639 5.109 4.470 -0.000 0.000 0.271 244 S C -1.292 173.316 174.600 0.013 0.000 1.134 244 S CA -0.360 57.783 58.200 -0.095 0.000 0.897 244 S CB 1.517 64.622 63.200 -0.158 0.000 1.094 244 S HN 1.163 nan 8.310 nan 0.000 0.473 245 V N 4.256 124.185 119.914 0.025 0.000 2.407 245 V HA 0.412 4.532 4.120 -0.000 0.000 0.278 245 V C 0.547 176.713 176.094 0.120 0.000 1.037 245 V CA -0.634 61.703 62.300 0.061 0.000 0.900 245 V CB 1.275 33.116 31.823 0.031 0.000 0.983 245 V HN 0.919 nan 8.190 nan 0.000 0.459 246 E N 3.744 124.089 120.200 0.241 0.000 2.360 246 E HA 0.285 4.635 4.350 -0.000 0.000 0.269 246 E C -1.207 175.500 176.600 0.179 0.000 1.022 246 E CA -0.527 56.048 56.400 0.291 0.000 0.887 246 E CB 1.093 31.075 29.700 0.470 0.000 0.990 246 E HN 0.504 nan 8.360 nan 0.000 0.426 247 L N 4.414 125.748 121.223 0.185 0.000 2.376 247 L HA 0.255 4.595 4.340 -0.000 0.000 0.275 247 L C -0.340 176.768 176.870 0.397 0.000 0.987 247 L CA -0.268 54.664 54.840 0.153 0.000 0.828 247 L CB 1.816 43.793 42.059 -0.137 0.000 1.249 247 L HN 0.512 nan 8.230 nan 0.000 0.409 248 T N 6.009 120.753 114.554 0.316 0.000 2.902 248 T HA 0.217 4.566 4.350 -0.000 0.000 0.301 248 T C -1.776 173.174 174.700 0.417 0.000 1.012 248 T CA -0.746 61.536 62.100 0.305 0.000 1.151 248 T CB 0.854 69.825 68.868 0.172 0.000 0.946 248 T HN 0.597 nan 8.240 nan 0.000 0.542 249 P HA 0.028 nan 4.420 nan 0.000 0.230 249 P C 0.393 177.582 177.300 -0.184 0.000 1.158 249 P CA 0.329 63.255 63.100 -0.292 0.000 0.769 249 P CB 0.063 31.411 31.700 -0.588 0.000 0.807 250 N N 0.388 119.064 118.700 -0.041 0.000 3.050 250 N HA 0.079 4.819 4.740 -0.000 0.000 0.289 250 N C 0.876 176.371 175.510 -0.025 0.000 1.209 250 N CA 0.165 53.190 53.050 -0.043 0.000 1.154 250 N CB -0.387 38.093 38.487 -0.013 0.000 1.444 250 N HN -0.095 nan 8.380 nan 0.000 0.529 251 M N -0.161 119.409 119.600 -0.050 0.000 2.394 251 M HA 0.089 4.569 4.480 -0.000 0.000 0.266 251 M C 1.765 177.922 176.300 -0.239 0.000 1.098 251 M CA 0.422 55.673 55.300 -0.083 0.000 1.149 251 M CB -0.848 31.745 32.600 -0.010 0.000 1.369 251 M HN 0.440 nan 8.290 nan 0.000 0.450 252 A N 0.588 123.245 122.820 -0.271 0.000 1.929 252 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 252 A C 2.363 179.756 177.584 -0.317 0.000 1.176 252 A CA 1.703 53.471 52.037 -0.448 0.000 0.628 252 A CB -1.306 17.504 19.000 -0.315 0.000 0.816 252 A HN 0.468 nan 8.150 nan 0.000 0.444 253 G N 0.627 109.399 108.800 -0.046 0.000 2.514 253 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 253 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 253 G C -0.255 174.648 174.900 0.005 0.000 1.198 253 G CA 1.401 46.550 45.100 0.081 0.000 0.780 253 G HN 0.495 nan 8.290 nan 0.000 0.565 254 P HA -0.020 nan 4.420 nan 0.000 0.218 254 P C 2.060 179.262 177.300 -0.162 0.000 1.148 254 P CA 1.864 64.916 63.100 -0.079 0.000 0.822 254 P CB -0.127 31.529 31.700 -0.073 0.000 0.784 255 A N -1.303 121.297 122.820 -0.367 0.000 1.898 255 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 255 A C 1.893 179.146 177.584 -0.550 0.000 1.181 255 A CA 1.302 52.933 52.037 -0.678 0.000 0.620 255 A CB -1.713 16.452 19.000 -1.392 0.000 0.819 255 A HN 0.040 nan 8.150 nan 0.000 0.442 256 F N 0.988 120.831 119.950 -0.177 0.000 2.134 256 F HA -0.150 4.377 4.527 0.000 0.000 0.299 256 F C 2.109 177.857 175.800 -0.086 0.000 1.097 256 F CA 1.311 59.273 58.000 -0.062 0.000 1.264 256 F CB -0.683 38.303 39.000 -0.022 0.000 1.001 256 F HN 0.219 nan 8.300 nan 0.000 0.479 257 D N 0.149 120.613 120.400 0.106 0.000 2.104 257 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 257 D C 2.389 178.725 176.300 0.059 0.000 0.994 257 D CA 1.681 55.719 54.000 0.065 0.000 0.830 257 D CB -0.702 40.122 40.800 0.039 0.000 0.959 257 D HN 0.240 nan 8.370 nan 0.000 0.452 258 A N 0.672 123.511 122.820 0.032 0.000 1.902 258 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 258 A C 2.177 179.874 177.584 0.188 0.000 1.181 258 A CA 1.083 53.190 52.037 0.117 0.000 0.623 258 A CB -0.712 18.395 19.000 0.178 0.000 0.818 258 A HN 0.245 nan 8.150 nan 0.000 0.443 259 L N 0.199 121.429 121.223 0.011 0.000 2.017 259 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 259 L C 2.147 179.139 176.870 0.203 0.000 1.073 259 L CA 2.544 57.451 54.840 0.112 0.000 0.745 259 L CB -0.804 41.182 42.059 -0.122 0.000 0.894 259 L HN 0.531 nan 8.230 nan 0.000 0.432 260 E N -0.478 119.798 120.200 0.127 0.000 2.085 260 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 260 E C 2.163 178.824 176.600 0.100 0.000 0.994 260 E CA 1.605 58.061 56.400 0.094 0.000 0.801 260 E CB -0.129 29.606 29.700 0.058 0.000 0.743 260 E HN 0.503 nan 8.360 nan 0.000 0.453 261 K N -0.044 120.429 120.400 0.122 0.000 2.057 261 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 261 K C 2.156 178.851 176.600 0.158 0.000 1.049 261 K CA 1.283 57.641 56.287 0.118 0.000 0.931 261 K CB -0.262 32.308 32.500 0.117 0.000 0.714 261 K HN 0.150 nan 8.250 nan 0.000 0.440 262 Y N 2.191 122.550 120.300 0.097 0.000 2.145 262 Y HA -0.189 4.361 4.550 0.000 0.000 0.286 262 Y C 1.822 177.773 175.900 0.085 0.000 1.145 262 Y CA 1.533 59.697 58.100 0.105 0.000 1.148 262 Y CB 0.103 38.668 38.460 0.176 0.000 0.981 262 Y HN -0.155 nan 8.280 nan 0.000 0.507 263 K N 0.586 120.996 120.400 0.017 0.000 2.211 263 K HA -0.164 4.156 4.320 -0.000 0.000 0.203 263 K C 2.067 178.615 176.600 -0.087 0.000 1.050 263 K CA 1.265 57.499 56.287 -0.089 0.000 0.945 263 K CB -0.246 32.272 32.500 0.030 0.000 0.732 263 K HN 0.371 nan 8.250 nan 0.000 0.451 264 K N 1.180 121.559 120.400 -0.034 0.000 2.062 264 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 264 K C 0.342 176.915 176.600 -0.045 0.000 1.051 264 K CA 1.932 58.203 56.287 -0.027 0.000 0.941 264 K CB 0.287 32.788 32.500 0.001 0.000 0.719 264 K HN 0.149 nan 8.250 nan 0.000 0.440 265 D N -3.252 117.116 120.400 -0.054 0.000 2.640 265 D HA 0.112 4.752 4.640 -0.000 0.000 0.282 265 D C 0.477 176.740 176.300 -0.062 0.000 1.558 265 D CA 0.352 54.322 54.000 -0.050 0.000 0.820 265 D CB 0.163 40.955 40.800 -0.014 0.000 1.243 265 D HN 0.239 nan 8.370 nan 0.000 0.456 266 G N 0.264 108.979 108.800 -0.142 0.000 2.143 266 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 266 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 266 G C 0.321 175.314 174.900 0.154 0.000 0.991 266 G CA 0.344 45.368 45.100 -0.126 0.000 0.689 266 G HN 0.434 nan 8.290 nan 0.000 0.522 267 T N 2.851 117.502 114.554 0.161 0.000 2.784 267 T HA 0.451 4.800 4.350 -0.000 0.000 0.291 267 T C 1.001 175.857 174.700 0.259 0.000 0.942 267 T CA 0.217 62.420 62.100 0.172 0.000 1.161 267 T CB 0.518 69.456 68.868 0.117 0.000 0.885 267 T HN 0.208 nan 8.240 nan 0.000 0.534 268 M N 5.816 125.518 119.600 0.168 0.000 2.211 268 M HA 0.302 4.782 4.480 -0.000 0.000 0.356 268 M C -1.692 174.630 176.300 0.036 0.000 1.216 268 M CA -2.666 52.675 55.300 0.069 0.000 1.134 268 M CB 0.333 32.936 32.600 0.005 0.000 1.564 268 M HN 0.384 nan 8.290 nan 0.000 0.463 269 P HA 0.219 nan 4.420 nan 0.000 0.276 269 P C -0.466 176.825 177.300 -0.015 0.000 1.261 269 P CA -0.394 62.718 63.100 0.020 0.000 0.800 269 P CB 0.677 32.407 31.700 0.050 0.000 1.066 270 E N 0.573 120.771 120.200 -0.003 0.000 2.418 270 E HA -0.029 4.321 4.350 -0.000 0.000 0.261 270 E C 0.835 177.421 176.600 -0.023 0.000 1.070 270 E CA -0.106 56.285 56.400 -0.014 0.000 0.931 270 E CB 0.618 30.317 29.700 -0.002 0.000 0.954 270 E HN 0.357 nan 8.360 nan 0.000 0.439 271 K N 1.119 121.498 120.400 -0.035 0.000 2.211 271 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 271 K C 0.317 176.940 176.600 0.039 0.000 1.050 271 K CA 0.642 56.908 56.287 -0.035 0.000 0.945 271 K CB 0.019 32.479 32.500 -0.067 0.000 0.732 271 K HN 0.277 nan 8.250 nan 0.000 0.451 272 L N 0.529 121.766 121.223 0.023 0.000 2.349 272 L HA 0.400 4.740 4.340 -0.000 0.000 0.278 272 L C -1.403 175.473 176.870 0.011 0.000 0.996 272 L CA -0.063 54.792 54.840 0.026 0.000 0.825 272 L CB 2.023 44.095 42.059 0.021 0.000 1.243 272 L HN -0.080 nan 8.230 nan 0.000 0.412 273 T N 6.450 121.006 114.554 0.004 0.000 2.947 273 T HA 0.480 4.830 4.350 -0.000 0.000 0.337 273 T C -0.028 174.667 174.700 -0.008 0.000 1.139 273 T CA -0.266 61.833 62.100 -0.003 0.000 0.992 273 T CB 0.107 68.969 68.868 -0.009 0.000 1.043 273 T HN 0.389 nan 8.240 nan 0.000 0.498 274 L N 3.731 124.954 121.223 -0.001 0.000 2.326 274 L HA 0.463 4.803 4.340 -0.000 0.000 0.278 274 L C 1.308 178.182 176.870 0.006 0.000 1.092 274 L CA -0.657 54.182 54.840 -0.000 0.000 0.810 274 L CB 0.986 43.046 42.059 0.002 0.000 1.153 274 L HN 0.627 nan 8.230 nan 0.000 0.439 275 T N -0.286 114.274 114.554 0.010 0.000 2.927 275 T HA 0.316 4.666 4.350 -0.000 0.000 0.281 275 T C -0.294 174.423 174.700 0.028 0.000 0.998 275 T CA -0.970 61.145 62.100 0.025 0.000 1.019 275 T CB 1.785 70.678 68.868 0.042 0.000 1.061 275 T HN 0.477 nan 8.240 nan 0.000 0.518 276 K N 0.759 121.183 120.400 0.040 0.000 2.205 276 K HA 0.431 4.750 4.320 -0.000 0.000 0.279 276 K C -0.752 175.875 176.600 0.045 0.000 1.027 276 K CA -0.485 55.824 56.287 0.037 0.000 0.932 276 K CB 0.595 33.120 32.500 0.042 0.000 1.032 276 K HN 0.641 nan 8.250 nan 0.000 0.466 277 S N 2.016 117.731 115.700 0.025 0.000 2.454 277 S HA 0.397 4.867 4.470 -0.000 0.000 0.306 277 S C -1.145 173.448 174.600 -0.012 0.000 1.100 277 S CA -0.693 57.519 58.200 0.020 0.000 1.087 277 S CB 1.856 65.060 63.200 0.008 0.000 1.019 277 S HN 0.639 nan 8.310 nan 0.000 0.480 278 T N 2.948 117.482 114.554 -0.034 0.000 2.921 278 T HA 0.369 4.719 4.350 -0.000 0.000 0.297 278 T C -0.815 173.704 174.700 -0.302 0.000 1.013 278 T CA -0.557 61.424 62.100 -0.198 0.000 0.990 278 T CB 1.295 69.984 68.868 -0.299 0.000 1.023 278 T HN 0.415 nan 8.240 nan 0.000 0.447 279 L N 3.982 125.025 121.223 -0.300 0.000 2.367 279 L HA 0.498 4.837 4.340 -0.000 0.000 0.275 279 L C -1.517 175.101 176.870 -0.420 0.000 1.129 279 L CA 0.107 54.804 54.840 -0.238 0.000 0.839 279 L CB -0.170 41.815 42.059 -0.122 0.000 1.133 279 L HN 0.576 nan 8.230 nan 0.000 0.453 280 Y N 5.115 125.423 120.300 0.013 0.000 2.409 280 Y HA 0.644 5.194 4.550 -0.000 0.000 0.343 280 Y C -0.284 175.611 175.900 -0.009 0.000 0.973 280 Y CA -0.645 57.485 58.100 0.050 0.000 1.064 280 Y CB 1.629 40.199 38.460 0.183 0.000 1.207 280 Y HN 0.456 nan 8.280 nan 0.000 0.452 281 L N 3.776 125.101 121.223 0.171 0.000 2.256 281 L HA 0.523 4.863 4.340 -0.000 0.000 0.261 281 L C -1.767 175.175 176.870 0.120 0.000 1.022 281 L CA -2.321 52.560 54.840 0.069 0.000 0.828 281 L CB 1.830 43.925 42.059 0.059 0.000 1.374 281 L HN 0.312 nan 8.230 nan 0.000 0.436 282 P HA -0.172 nan 4.420 nan 0.000 0.219 282 P C 0.719 178.067 177.300 0.080 0.000 1.146 282 P CA 1.153 64.307 63.100 0.090 0.000 0.808 282 P CB -0.023 31.723 31.700 0.076 0.000 0.779 283 D N -1.014 119.436 120.400 0.083 0.000 2.309 283 D HA -0.120 4.520 4.640 -0.000 0.000 0.212 283 D C 1.118 177.451 176.300 0.055 0.000 0.968 283 D CA 1.718 55.758 54.000 0.066 0.000 0.882 283 D CB -1.194 39.648 40.800 0.070 0.000 0.918 283 D HN 0.247 nan 8.370 nan 0.000 0.503 284 T N -4.444 110.152 114.554 0.070 0.000 3.084 284 T HA 0.630 4.980 4.350 -0.000 0.000 0.270 284 T C 1.715 176.366 174.700 -0.082 0.000 1.008 284 T CA 0.164 62.278 62.100 0.024 0.000 0.900 284 T CB 0.496 69.433 68.868 0.116 0.000 1.084 284 T HN 0.142 nan 8.240 nan 0.000 0.538 285 A N 2.591 125.399 122.820 -0.020 0.000 1.877 285 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 285 A C 2.342 179.837 177.584 -0.149 0.000 1.186 285 A CA 1.783 53.802 52.037 -0.030 0.000 0.620 285 A CB -0.639 18.436 19.000 0.125 0.000 0.822 285 A HN 0.526 nan 8.150 nan 0.000 0.443 286 K N -0.312 120.038 120.400 -0.084 0.000 2.026 286 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 286 K C 2.104 178.618 176.600 -0.143 0.000 1.048 286 K CA 1.695 57.931 56.287 -0.086 0.000 0.929 286 K CB -0.125 32.349 32.500 -0.044 0.000 0.713 286 K HN 0.422 nan 8.250 nan 0.000 0.439 287 E N 0.577 120.683 120.200 -0.156 0.000 2.077 287 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 287 E C 1.910 178.341 176.600 -0.282 0.000 0.989 287 E CA 1.346 57.644 56.400 -0.170 0.000 0.800 287 E CB -0.254 29.371 29.700 -0.126 0.000 0.746 287 E HN 0.415 nan 8.360 nan 0.000 0.452 288 E N 0.047 119.955 120.200 -0.487 0.000 2.072 288 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 288 E C 2.209 178.415 176.600 -0.658 0.000 0.985 288 E CA 0.599 56.535 56.400 -0.774 0.000 0.801 288 E CB -0.496 28.312 29.700 -1.488 0.000 0.750 288 E HN 0.241 nan 8.360 nan 0.000 0.452 289 L N 1.734 122.631 121.223 -0.542 0.000 2.079 289 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 289 L C 2.365 179.146 176.870 -0.148 0.000 1.081 289 L CA 2.705 57.403 54.840 -0.237 0.000 0.752 289 L CB -0.840 41.161 42.059 -0.097 0.000 0.896 289 L HN 0.177 nan 8.230 nan 0.000 0.433 290 E N -0.252 119.859 120.200 -0.148 0.000 2.150 290 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 290 E C 2.190 178.741 176.600 -0.081 0.000 0.985 290 E CA 1.650 57.995 56.400 -0.092 0.000 0.814 290 E CB -0.642 29.009 29.700 -0.082 0.000 0.752 290 E HN 0.684 nan 8.360 nan 0.000 0.466 291 K N -0.242 120.086 120.400 -0.120 0.000 2.062 291 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 291 K C 2.265 178.846 176.600 -0.032 0.000 1.051 291 K CA 0.859 57.097 56.287 -0.082 0.000 0.941 291 K CB 0.021 32.450 32.500 -0.118 0.000 0.719 291 K HN 0.044 nan 8.250 nan 0.000 0.440 292 K N 1.220 121.593 120.400 -0.047 0.000 1.984 292 K HA -0.304 4.015 4.320 -0.000 0.000 0.234 292 K C 2.342 179.032 176.600 0.151 0.000 0.986 292 K CA 2.493 58.816 56.287 0.060 0.000 1.041 292 K CB -1.189 31.291 32.500 -0.034 0.000 0.708 292 K HN 0.223 nan 8.250 nan 0.000 0.493 293 K N 1.641 122.088 120.400 0.078 0.000 2.464 293 K HA -0.235 4.085 4.320 -0.000 0.000 0.200 293 K C 1.520 178.161 176.600 0.069 0.000 1.044 293 K CA 2.443 58.782 56.287 0.086 0.000 0.932 293 K CB -1.335 31.192 32.500 0.045 0.000 0.753 293 K HN 0.673 nan 8.250 nan 0.000 0.492 294 N N -1.290 117.445 118.700 0.059 0.000 2.230 294 N HA 0.283 5.022 4.740 -0.000 0.000 0.202 294 N C 0.814 176.346 175.510 0.038 0.000 1.119 294 N CA 0.160 53.230 53.050 0.034 0.000 0.851 294 N CB 0.507 39.004 38.487 0.017 0.000 0.990 294 N HN 0.368 nan 8.380 nan 0.000 0.497 295 M N -0.606 119.039 119.600 0.077 0.000 2.502 295 M HA 0.284 4.764 4.480 -0.000 0.000 0.351 295 M C 0.711 176.966 176.300 -0.075 0.000 1.118 295 M CA -0.097 55.235 55.300 0.053 0.000 0.952 295 M CB 1.188 33.878 32.600 0.151 0.000 1.424 295 M HN 0.246 nan 8.290 nan 0.000 0.529 296 G N -0.253 108.489 108.800 -0.098 0.000 2.231 296 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.206 296 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.206 296 G C -0.180 174.551 174.900 -0.282 0.000 0.996 296 G CA -0.546 44.414 45.100 -0.233 0.000 0.645 296 G HN 0.367 nan 8.290 nan 0.000 0.498 297 Y N 0.000 120.275 120.300 -0.042 0.000 2.660 297 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 297 Y CA 0.000 58.083 58.100 -0.028 0.000 1.940 297 Y CB 0.000 38.458 38.460 -0.004 0.000 1.050 297 Y HN 0.000 nan 8.280 nan 0.000 0.758