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 3i4x_1_B DATA FIRST_RESID 3 DATA SEQUENCE AANASSAEAY RVLSRAFRFD NEDQKLWWHS TAPMFAKMLE TANYTTPCQY DATA SEQUENCE QYLITYKECV IPSLGCYPTN SAPRWLSILT RYGTPFELSL NCSNSIVRYT DATA SEQUENCE FEPINQHTGT DKDPFNTHAI WESLQHLLPL EKSIDLEWFR HFKHDLTLNS DATA SEQUENCE EESAFLAHND RLVGGTIRTQ NKLALDLKDG RFALKTYIYP ALKAVVTGKT DATA SEQUENCE IHELVFGSVR RLAVREPRIL PPLNMLEEYI RSRGSKSTAS PRLVSCDLTS DATA SEQUENCE PAKSRIKIYL LEQMVSLEAM EDLWTLGGRR RDASTLEGLS LVRELWDLIQ DATA SEQUENCE LSPGLKSYPA PYLPLGVIPD ERLPLMANFT LHQNDPVPEP QVYFTTFGMN DATA SEQUENCE DMAVADALTT FFERRGWSEM ARTYETTLKS YYPHADHDKL NYLHAYISFS DATA SEQUENCE YRDRTPYLSV YLQSFETGDW 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.571 177.584 -0.022 0.000 1.274 3 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 3 A CB 0.000 19.003 19.000 0.006 0.000 0.831 4 A N 0.925 123.721 122.820 -0.041 0.000 2.498 4 A HA 0.513 4.833 4.320 -0.000 0.000 0.239 4 A C 0.138 177.683 177.584 -0.066 0.000 1.068 4 A CA 0.492 52.500 52.037 -0.049 0.000 0.766 4 A CB 0.008 18.967 19.000 -0.068 0.000 1.003 4 A HN 0.544 nan 8.150 nan 0.000 0.497 5 N N 1.019 119.691 118.700 -0.047 0.000 2.500 5 N HA 0.389 5.128 4.740 -0.000 0.000 0.291 5 N C 0.493 175.987 175.510 -0.027 0.000 1.092 5 N CA 0.155 53.172 53.050 -0.055 0.000 0.890 5 N CB 1.810 40.276 38.487 -0.035 0.000 1.466 5 N HN 0.574 nan 8.380 nan 0.000 0.507 6 A N 2.432 125.230 122.820 -0.036 0.000 1.986 6 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 6 A C 1.805 179.355 177.584 -0.057 0.000 1.171 6 A CA 1.864 53.891 52.037 -0.016 0.000 0.640 6 A CB -0.337 18.679 19.000 0.026 0.000 0.811 6 A HN 0.649 nan 8.150 nan 0.000 0.451 7 S N 0.157 115.822 115.700 -0.057 0.000 2.500 7 S HA -0.099 4.371 4.470 -0.000 0.000 0.239 7 S C 2.057 176.783 174.600 0.210 0.000 0.989 7 S CA 1.263 59.476 58.200 0.023 0.000 0.951 7 S CB -0.330 62.929 63.200 0.099 0.000 0.759 7 S HN 0.920 nan 8.310 nan 0.000 0.523 8 S N 1.465 117.239 115.700 0.123 0.000 2.527 8 S HA 0.330 4.800 4.470 -0.000 0.000 0.222 8 S C 0.881 175.563 174.600 0.136 0.000 0.985 8 S CA 0.154 58.430 58.200 0.127 0.000 0.921 8 S CB -0.346 62.900 63.200 0.077 0.000 0.772 8 S HN 0.436 nan 8.310 nan 0.000 0.529 9 A N 2.094 124.995 122.820 0.136 0.000 2.573 9 A HA 0.064 4.384 4.320 -0.000 0.000 0.250 9 A C 1.239 178.914 177.584 0.152 0.000 1.049 9 A CA 0.463 52.575 52.037 0.124 0.000 0.767 9 A CB -0.369 18.690 19.000 0.098 0.000 0.965 9 A HN 0.673 nan 8.150 nan 0.000 0.514 10 E N 3.114 123.376 120.200 0.105 0.000 2.058 10 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 10 E C 2.090 178.737 176.600 0.078 0.000 0.997 10 E CA 1.552 58.013 56.400 0.102 0.000 0.801 10 E CB -0.162 29.603 29.700 0.109 0.000 0.746 10 E HN 0.871 nan 8.360 nan 0.000 0.450 11 A N 0.304 123.099 122.820 -0.042 0.000 1.940 11 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 11 A C 2.073 179.624 177.584 -0.054 0.000 1.176 11 A CA 1.682 53.510 52.037 -0.349 0.000 0.631 11 A CB -0.986 17.575 19.000 -0.732 0.000 0.814 11 A HN 0.647 nan 8.150 nan 0.000 0.446 12 Y N 0.600 120.889 120.300 -0.019 0.000 2.145 12 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 12 Y C 2.417 178.457 175.900 0.234 0.000 1.145 12 Y CA 2.012 60.187 58.100 0.125 0.000 1.148 12 Y CB -0.315 38.133 38.460 -0.019 0.000 0.981 12 Y HN 0.256 nan 8.280 nan 0.000 0.507 13 R N -0.489 119.955 120.500 -0.094 0.000 2.075 13 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 13 R C 2.212 178.458 176.300 -0.091 0.000 1.126 13 R CA 1.561 57.559 56.100 -0.169 0.000 0.963 13 R CB -0.673 29.633 30.300 0.010 0.000 0.858 13 R HN 0.291 nan 8.270 nan 0.000 0.435 14 V N 1.673 121.584 119.914 -0.005 0.000 2.307 14 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 14 V C 2.346 178.387 176.094 -0.090 0.000 1.045 14 V CA 1.557 63.866 62.300 0.014 0.000 1.024 14 V CB -0.411 31.508 31.823 0.160 0.000 0.651 14 V HN 0.258 nan 8.190 nan 0.000 0.449 15 L N -0.118 121.034 121.223 -0.119 0.000 2.131 15 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 15 L C 2.589 179.093 176.870 -0.611 0.000 1.092 15 L CA 1.495 56.007 54.840 -0.546 0.000 0.759 15 L CB -0.589 41.175 42.059 -0.492 0.000 0.903 15 L HN 0.307 nan 8.230 nan 0.000 0.435 16 S N -0.394 115.213 115.700 -0.155 0.000 2.399 16 S HA -0.130 4.339 4.470 -0.000 0.000 0.231 16 S C 1.961 176.551 174.600 -0.017 0.000 1.022 16 S CA 1.045 59.261 58.200 0.028 0.000 0.983 16 S CB -0.182 63.072 63.200 0.090 0.000 0.803 16 S HN 0.415 nan 8.310 nan 0.000 0.480 17 R N 0.857 121.302 120.500 -0.093 0.000 2.189 17 R HA 0.147 4.487 4.340 -0.000 0.000 0.218 17 R C 2.247 178.472 176.300 -0.125 0.000 1.074 17 R CA 1.020 57.076 56.100 -0.073 0.000 0.991 17 R CB -0.230 30.032 30.300 -0.063 0.000 0.883 17 R HN 0.385 nan 8.270 nan 0.000 0.457 18 A N 0.698 123.362 122.820 -0.259 0.000 1.997 18 A HA 0.117 4.436 4.320 -0.000 0.000 0.212 18 A C 0.343 177.775 177.584 -0.255 0.000 1.178 18 A CA 0.146 52.005 52.037 -0.297 0.000 0.698 18 A CB 0.125 18.867 19.000 -0.429 0.000 0.842 18 A HN 0.021 nan 8.150 nan 0.000 0.458 19 F N 0.847 120.596 119.950 -0.334 0.000 2.412 19 F HA 0.406 4.933 4.527 -0.000 0.000 0.348 19 F C 0.960 176.421 175.800 -0.565 0.000 1.102 19 F CA -1.079 56.572 58.000 -0.583 0.000 1.196 19 F CB 0.586 38.969 39.000 -1.027 0.000 1.144 19 F HN 0.167 nan 8.300 nan 0.000 0.541 20 R N 3.389 123.688 120.500 -0.334 0.000 2.297 20 R HA 0.484 4.824 4.340 -0.000 0.000 0.308 20 R C -1.864 174.075 176.300 -0.601 0.000 1.029 20 R CA -0.232 55.685 56.100 -0.305 0.000 0.929 20 R CB 0.384 30.571 30.300 -0.188 0.000 1.046 20 R HN 0.420 nan 8.270 nan 0.000 0.461 21 F N 2.411 122.330 119.950 -0.052 0.000 2.507 21 F HA 0.259 4.786 4.527 -0.000 0.000 0.325 21 F C 0.563 176.343 175.800 -0.032 0.000 1.116 21 F CA -0.769 57.193 58.000 -0.063 0.000 0.930 21 F CB 2.180 41.166 39.000 -0.024 0.000 1.146 21 F HN 0.584 nan 8.300 nan 0.000 0.447 22 D N 0.829 121.311 120.400 0.137 0.000 2.346 22 D HA 0.020 4.660 4.640 -0.000 0.000 0.206 22 D C -0.025 176.332 176.300 0.094 0.000 1.001 22 D CA 0.806 54.852 54.000 0.078 0.000 0.871 22 D CB 0.124 40.941 40.800 0.027 0.000 0.943 22 D HN 0.604 nan 8.370 nan 0.000 0.518 23 N N -1.093 117.686 118.700 0.131 0.000 2.647 23 N HA 0.099 4.839 4.740 -0.000 0.000 0.266 23 N C 0.478 176.047 175.510 0.098 0.000 1.373 23 N CA -0.509 52.604 53.050 0.105 0.000 0.807 23 N CB 1.232 39.774 38.487 0.091 0.000 1.513 23 N HN -0.473 nan 8.380 nan 0.000 0.505 24 E N -0.080 120.161 120.200 0.068 0.000 2.110 24 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 24 E C 0.441 177.062 176.600 0.034 0.000 0.988 24 E CA 1.217 57.636 56.400 0.031 0.000 0.804 24 E CB -0.316 29.402 29.700 0.029 0.000 0.745 24 E HN 0.611 nan 8.360 nan 0.000 0.458 25 D N 0.194 120.662 120.400 0.114 0.000 2.097 25 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 25 D C 1.960 178.432 176.300 0.287 0.000 0.989 25 D CA 0.968 55.099 54.000 0.218 0.000 0.827 25 D CB -0.100 40.869 40.800 0.281 0.000 0.966 25 D HN 0.352 nan 8.370 nan 0.000 0.456 26 Q N 0.521 120.452 119.800 0.219 0.000 2.079 26 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 26 Q C 2.198 178.113 176.000 -0.142 0.000 0.974 26 Q CA 0.886 56.809 55.803 0.200 0.000 0.840 26 Q CB -0.022 28.865 28.738 0.249 0.000 0.898 26 Q HN 0.200 nan 8.270 nan 0.000 0.430 27 K N 1.128 121.233 120.400 -0.491 0.000 2.026 27 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 27 K C 2.043 178.474 176.600 -0.281 0.000 1.048 27 K CA 1.019 56.703 56.287 -1.006 0.000 0.929 27 K CB -0.087 32.078 32.500 -0.558 0.000 0.713 27 K HN 0.144 nan 8.250 nan 0.000 0.439 28 L N -0.677 120.453 121.223 -0.153 0.000 2.012 28 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 28 L C 2.385 179.142 176.870 -0.188 0.000 1.073 28 L CA 1.563 56.261 54.840 -0.236 0.000 0.748 28 L CB -0.556 41.099 42.059 -0.674 0.000 0.891 28 L HN 0.392 nan 8.230 nan 0.000 0.431 29 W N -0.273 121.015 121.300 -0.020 0.000 2.338 29 W HA -0.281 4.379 4.660 -0.000 0.000 0.304 29 W C 2.615 179.148 176.519 0.024 0.000 1.212 29 W CA 1.042 58.466 57.345 0.131 0.000 1.264 29 W CB -0.359 29.179 29.460 0.130 0.000 1.142 29 W HN 0.351 nan 8.180 nan 0.000 0.512 30 W N 0.167 121.515 121.300 0.080 0.000 2.354 30 W HA -0.240 4.420 4.660 -0.000 0.000 0.315 30 W C 2.002 178.561 176.519 0.066 0.000 1.206 30 W CA 1.930 59.288 57.345 0.022 0.000 1.290 30 W CB -0.997 28.406 29.460 -0.094 0.000 1.152 30 W HN -0.020 nan 8.180 nan 0.000 0.489 31 H N -0.149 118.984 119.070 0.105 0.000 2.457 31 H HA -0.118 4.438 4.556 -0.000 0.000 0.294 31 H C 2.512 177.863 175.328 0.038 0.000 1.064 31 H CA 1.705 57.823 56.048 0.117 0.000 1.330 31 H CB -0.647 29.282 29.762 0.277 0.000 1.395 31 H HN 0.154 nan 8.280 nan 0.000 0.541 32 S N 0.133 115.856 115.700 0.039 0.000 2.368 32 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 32 S C 2.260 176.694 174.600 -0.278 0.000 1.029 32 S CA 1.963 59.922 58.200 -0.402 0.000 0.988 32 S CB -0.086 62.633 63.200 -0.801 0.000 0.838 32 S HN 0.687 nan 8.310 nan 0.000 0.462 33 T N -1.723 112.743 114.554 -0.147 0.000 3.018 33 T HA 0.476 4.826 4.350 -0.000 0.000 0.246 33 T C 1.931 176.482 174.700 -0.249 0.000 1.026 33 T CA 0.613 62.650 62.100 -0.105 0.000 1.081 33 T CB -0.460 68.384 68.868 -0.040 0.000 0.970 33 T HN 0.308 nan 8.240 nan 0.000 0.475 34 A N 2.960 125.490 122.820 -0.482 0.000 1.933 34 A HA 0.171 4.491 4.320 -0.000 0.000 0.218 34 A C 0.145 177.354 177.584 -0.626 0.000 1.175 34 A CA 1.090 52.707 52.037 -0.699 0.000 0.628 34 A CB -1.536 16.422 19.000 -1.736 0.000 0.814 34 A HN 0.448 nan 8.150 nan 0.000 0.444 35 P HA -0.188 nan 4.420 nan 0.000 0.215 35 P C 1.876 178.964 177.300 -0.354 0.000 1.153 35 P CA 1.524 64.152 63.100 -0.787 0.000 0.853 35 P CB -0.178 31.059 31.700 -0.773 0.000 0.788 36 M N -2.053 117.336 119.600 -0.351 0.000 2.132 36 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 36 M C 2.050 178.159 176.300 -0.318 0.000 1.065 36 M CA 1.801 56.839 55.300 -0.437 0.000 1.122 36 M CB -0.627 31.573 32.600 -0.667 0.000 1.365 36 M HN -0.150 nan 8.290 nan 0.000 0.411 37 F N 0.635 120.355 119.950 -0.382 0.000 2.102 37 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 37 F C 2.258 177.927 175.800 -0.217 0.000 1.105 37 F CA 1.156 58.973 58.000 -0.306 0.000 1.239 37 F CB -0.116 38.664 39.000 -0.366 0.000 0.991 37 F HN 0.302 nan 8.300 nan 0.000 0.474 38 A N 0.158 122.962 122.820 -0.026 0.000 1.902 38 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 38 A C 1.950 179.551 177.584 0.027 0.000 1.181 38 A CA 1.933 53.937 52.037 -0.056 0.000 0.623 38 A CB -0.703 18.273 19.000 -0.039 0.000 0.818 38 A HN 0.372 nan 8.150 nan 0.000 0.443 39 K N -0.283 120.148 120.400 0.052 0.000 2.097 39 K HA -0.047 4.272 4.320 -0.000 0.000 0.206 39 K C 1.970 178.694 176.600 0.207 0.000 1.049 39 K CA 1.891 58.262 56.287 0.141 0.000 0.933 39 K CB -0.434 32.193 32.500 0.211 0.000 0.717 39 K HN 0.486 nan 8.250 nan 0.000 0.442 40 M N -0.160 119.559 119.600 0.198 0.000 2.117 40 M HA -0.125 4.354 4.480 -0.000 0.000 0.262 40 M C 1.674 178.061 176.300 0.144 0.000 1.065 40 M CA 1.508 56.926 55.300 0.196 0.000 1.114 40 M CB -0.057 32.573 32.600 0.050 0.000 1.361 40 M HN 0.194 nan 8.290 nan 0.000 0.408 41 L N -0.223 121.052 121.223 0.088 0.000 2.046 41 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 41 L C 2.356 179.337 176.870 0.186 0.000 1.077 41 L CA 1.443 56.292 54.840 0.015 0.000 0.747 41 L CB -0.814 41.186 42.059 -0.099 0.000 0.896 41 L HN 0.364 nan 8.230 nan 0.000 0.432 42 E N -0.214 120.068 120.200 0.136 0.000 2.058 42 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 42 E C 2.115 178.806 176.600 0.150 0.000 0.997 42 E CA 2.159 58.643 56.400 0.139 0.000 0.801 42 E CB -0.074 29.686 29.700 0.100 0.000 0.746 42 E HN 0.607 nan 8.360 nan 0.000 0.450 43 T N -1.712 112.929 114.554 0.144 0.000 3.023 43 T HA 0.139 4.489 4.350 -0.000 0.000 0.266 43 T C 1.723 176.505 174.700 0.137 0.000 1.093 43 T CA 0.671 62.843 62.100 0.120 0.000 1.129 43 T CB 0.179 69.104 68.868 0.095 0.000 0.899 43 T HN 0.107 nan 8.240 nan 0.000 0.491 44 A N 1.808 124.750 122.820 0.204 0.000 2.259 44 A HA 0.215 4.535 4.320 -0.000 0.000 0.208 44 A C 0.966 178.671 177.584 0.203 0.000 1.201 44 A CA -0.062 52.112 52.037 0.227 0.000 0.824 44 A CB -0.709 18.515 19.000 0.374 0.000 0.838 44 A HN 0.541 nan 8.150 nan 0.000 0.485 45 N N -1.583 117.230 118.700 0.188 0.000 2.747 45 N HA -0.192 4.547 4.740 -0.000 0.000 0.249 45 N C -0.847 174.734 175.510 0.118 0.000 1.107 45 N CA 0.904 54.029 53.050 0.124 0.000 0.707 45 N CB -2.010 36.504 38.487 0.045 0.000 1.054 45 N HN 0.671 nan 8.380 nan 0.000 0.555 46 Y N 1.279 121.642 120.300 0.104 0.000 2.597 46 Y HA -0.000 4.550 4.550 -0.000 0.000 0.336 46 Y C 1.939 177.910 175.900 0.119 0.000 1.216 46 Y CA 0.394 58.577 58.100 0.139 0.000 1.463 46 Y CB 0.492 39.072 38.460 0.200 0.000 1.303 46 Y HN 0.087 nan 8.280 nan 0.000 0.576 47 T N -1.172 113.513 114.554 0.218 0.000 2.903 47 T HA -0.020 4.330 4.350 -0.000 0.000 0.314 47 T C 1.258 176.081 174.700 0.204 0.000 1.078 47 T CA -0.226 61.974 62.100 0.166 0.000 1.114 47 T CB 0.925 69.861 68.868 0.114 0.000 0.987 47 T HN 0.789 nan 8.240 nan 0.000 0.548 48 T N 3.537 118.197 114.554 0.178 0.000 2.624 48 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 48 T C -0.726 174.145 174.700 0.286 0.000 1.041 48 T CA 1.920 64.160 62.100 0.234 0.000 1.159 48 T CB -1.420 67.569 68.868 0.201 0.000 0.863 48 T HN 0.609 nan 8.240 nan 0.000 0.434 49 P HA 0.021 nan 4.420 nan 0.000 0.217 49 P C 1.479 178.842 177.300 0.105 0.000 1.150 49 P CA 0.738 63.915 63.100 0.129 0.000 0.832 49 P CB -0.194 31.539 31.700 0.055 0.000 0.787 50 C N -1.188 118.173 119.300 0.100 0.000 2.446 50 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 50 C C 2.698 177.708 174.990 0.034 0.000 1.275 50 C CA 0.758 59.771 59.018 -0.009 0.000 1.727 50 C CB -1.554 26.362 27.740 0.293 0.000 2.010 50 C HN 0.317 nan 8.230 nan 0.000 0.486 51 Q N -0.514 119.389 119.800 0.171 0.000 2.062 51 Q HA -0.263 4.077 4.340 -0.000 0.000 0.209 51 Q C 1.942 177.905 176.000 -0.060 0.000 0.996 51 Q CA 2.261 58.093 55.803 0.048 0.000 0.859 51 Q CB -0.393 28.337 28.738 -0.013 0.000 0.920 51 Q HN 0.768 nan 8.270 nan 0.000 0.415 52 Y N 0.689 120.999 120.300 0.015 0.000 2.145 52 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 52 Y C 2.659 178.557 175.900 -0.003 0.000 1.145 52 Y CA 1.665 59.769 58.100 0.005 0.000 1.148 52 Y CB -0.377 38.072 38.460 -0.019 0.000 0.981 52 Y HN 0.213 nan 8.280 nan 0.000 0.507 53 Q N -0.612 119.231 119.800 0.072 0.000 2.061 53 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 53 Q C 1.804 177.799 176.000 -0.008 0.000 0.984 53 Q CA 2.138 57.920 55.803 -0.036 0.000 0.846 53 Q CB -0.384 28.232 28.738 -0.204 0.000 0.902 53 Q HN 0.527 nan 8.270 nan 0.000 0.421 54 Y N 0.393 120.763 120.300 0.115 0.000 2.220 54 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 54 Y C 2.127 178.027 175.900 0.000 0.000 1.129 54 Y CA 0.824 58.980 58.100 0.093 0.000 1.161 54 Y CB -0.362 38.140 38.460 0.070 0.000 0.997 54 Y HN 0.114 nan 8.280 nan 0.000 0.522 55 L N -0.843 120.400 121.223 0.033 0.000 2.083 55 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 55 L C 2.118 179.176 176.870 0.314 0.000 1.083 55 L CA 1.239 56.120 54.840 0.068 0.000 0.752 55 L CB -0.532 41.584 42.059 0.096 0.000 0.899 55 L HN 0.207 nan 8.230 nan 0.000 0.433 56 I N -0.876 119.850 120.570 0.261 0.000 2.233 56 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 56 I C 2.482 178.652 176.117 0.087 0.000 1.093 56 I CA 1.307 62.753 61.300 0.244 0.000 1.380 56 I CB -0.398 37.736 38.000 0.224 0.000 1.067 56 I HN 0.162 nan 8.210 nan 0.000 0.413 57 T N 0.038 114.674 114.554 0.137 0.000 2.746 57 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 57 T C 1.765 176.520 174.700 0.093 0.000 1.039 57 T CA 1.538 63.704 62.100 0.109 0.000 1.142 57 T CB -0.420 68.548 68.868 0.168 0.000 0.866 57 T HN 0.344 nan 8.240 nan 0.000 0.444 58 Y N 2.521 122.853 120.300 0.052 0.000 2.097 58 Y HA -0.130 4.420 4.550 -0.000 0.000 0.282 58 Y C 2.479 178.318 175.900 -0.102 0.000 1.152 58 Y CA 1.550 59.649 58.100 -0.002 0.000 1.136 58 Y CB -0.333 38.130 38.460 0.005 0.000 0.975 58 Y HN -0.094 nan 8.280 nan 0.000 0.498 59 K N 0.797 121.006 120.400 -0.317 0.000 2.057 59 K HA -0.205 4.114 4.320 -0.000 0.000 0.207 59 K C 1.805 178.083 176.600 -0.536 0.000 1.049 59 K CA 2.227 58.175 56.287 -0.565 0.000 0.931 59 K CB -0.267 31.661 32.500 -0.953 0.000 0.714 59 K HN 0.600 nan 8.250 nan 0.000 0.440 60 E N -0.895 119.059 120.200 -0.409 0.000 2.170 60 E HA -0.064 4.285 4.350 -0.000 0.000 0.191 60 E C 1.987 178.430 176.600 -0.261 0.000 0.981 60 E CA 0.859 57.059 56.400 -0.334 0.000 0.830 60 E CB 0.182 29.738 29.700 -0.241 0.000 0.775 60 E HN 0.336 nan 8.360 nan 0.000 0.470 61 C N -0.431 118.751 119.300 -0.197 0.000 2.935 61 C HA 0.173 4.633 4.460 -0.000 0.000 0.308 61 C C 2.316 177.222 174.990 -0.140 0.000 1.263 61 C CA -0.256 58.697 59.018 -0.108 0.000 1.738 61 C CB 0.181 27.929 27.740 0.013 0.000 2.237 61 C HN 0.165 nan 8.230 nan 0.000 0.600 62 V N 0.442 120.174 119.914 -0.303 0.000 2.743 62 V HA 0.095 4.215 4.120 -0.000 0.000 0.237 62 V C 2.098 177.831 176.094 -0.601 0.000 1.113 62 V CA 0.872 62.852 62.300 -0.533 0.000 1.141 62 V CB -0.499 31.015 31.823 -0.515 0.000 0.873 62 V HN 0.354 nan 8.190 nan 0.000 0.486 63 I N 1.159 121.293 120.570 -0.728 0.000 2.143 63 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 63 I C -0.493 175.409 176.117 -0.359 0.000 1.068 63 I CA 2.068 62.991 61.300 -0.628 0.000 1.326 63 I CB -1.447 36.242 38.000 -0.520 0.000 1.028 63 I HN 0.361 nan 8.210 nan 0.000 0.412 64 P HA -0.068 nan 4.420 nan 0.000 0.231 64 P C 1.139 178.406 177.300 -0.055 0.000 1.158 64 P CA 1.131 64.169 63.100 -0.102 0.000 0.763 64 P CB 0.092 31.729 31.700 -0.105 0.000 0.805 65 S N -1.469 114.170 115.700 -0.101 0.000 2.554 65 S HA 0.239 4.708 4.470 -0.000 0.000 0.226 65 S C 1.139 175.733 174.600 -0.010 0.000 0.980 65 S CA -0.132 58.074 58.200 0.010 0.000 0.939 65 S CB -0.347 62.928 63.200 0.123 0.000 0.832 65 S HN 0.131 nan 8.310 nan 0.000 0.486 66 L N 1.380 122.480 121.223 -0.204 0.000 2.592 66 L HA 0.277 4.617 4.340 -0.000 0.000 0.227 66 L C 1.349 178.264 176.870 0.075 0.000 1.127 66 L CA -0.014 54.647 54.840 -0.298 0.000 0.884 66 L CB -0.909 40.398 42.059 -1.254 0.000 1.065 66 L HN 0.424 nan 8.230 nan 0.000 0.457 67 G N 0.412 109.301 108.800 0.148 0.000 2.697 67 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.240 67 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.240 67 G C 0.188 175.344 174.900 0.428 0.000 1.346 67 G CA -0.476 44.779 45.100 0.259 0.000 0.887 67 G HN 0.438 nan 8.290 nan 0.000 0.569 68 C N -1.451 118.049 119.300 0.334 0.000 2.727 68 C HA 0.533 4.993 4.460 -0.000 0.000 0.401 68 C C 1.034 176.227 174.990 0.339 0.000 1.294 68 C CA -0.719 58.483 59.018 0.308 0.000 2.134 68 C CB -0.323 27.533 27.740 0.193 0.000 2.724 68 C HN 1.262 nan 8.230 nan 0.000 0.677 69 Y N 3.304 123.647 120.300 0.073 0.000 2.544 69 Y HA 0.337 4.887 4.550 -0.000 0.000 0.330 69 Y C -2.026 173.808 175.900 -0.109 0.000 1.136 69 Y CA -1.487 56.450 58.100 -0.272 0.000 1.417 69 Y CB 0.066 38.370 38.460 -0.261 0.000 1.229 69 Y HN 0.600 nan 8.280 nan 0.000 0.532 70 P HA 0.135 nan 4.420 nan 0.000 0.271 70 P C -0.919 176.216 177.300 -0.275 0.000 1.233 70 P CA 0.161 63.010 63.100 -0.419 0.000 0.764 70 P CB 0.637 32.028 31.700 -0.515 0.000 0.825 71 T N -0.783 113.730 114.554 -0.069 0.000 2.865 71 T HA 0.356 4.706 4.350 -0.000 0.000 0.294 71 T C 0.752 175.471 174.700 0.031 0.000 1.119 71 T CA -0.758 61.363 62.100 0.035 0.000 1.007 71 T CB 1.092 70.023 68.868 0.106 0.000 1.225 71 T HN 0.014 nan 8.240 nan 0.000 0.515 72 N N 0.497 119.229 118.700 0.053 0.000 2.463 72 N HA 0.032 4.772 4.740 -0.000 0.000 0.181 72 N C 1.489 177.030 175.510 0.051 0.000 1.078 72 N CA 0.977 54.059 53.050 0.054 0.000 0.902 72 N CB 0.099 38.617 38.487 0.052 0.000 0.970 72 N HN 0.780 nan 8.380 nan 0.000 0.451 73 S N -1.317 114.414 115.700 0.053 0.000 2.568 73 S HA 0.594 5.064 4.470 -0.000 0.000 0.232 73 S C 0.340 174.968 174.600 0.047 0.000 0.975 73 S CA -0.572 57.657 58.200 0.048 0.000 0.949 73 S CB 0.460 63.688 63.200 0.047 0.000 0.829 73 S HN 0.173 nan 8.310 nan 0.000 0.479 74 A N 2.111 124.960 122.820 0.049 0.000 2.515 74 A HA 0.780 5.100 4.320 -0.000 0.000 0.298 74 A C -3.012 174.597 177.584 0.043 0.000 1.059 74 A CA -1.768 50.298 52.037 0.049 0.000 0.698 74 A CB 0.616 19.652 19.000 0.061 0.000 1.289 74 A HN 0.255 nan 8.150 nan 0.000 0.404 75 P HA 0.280 nan 4.420 nan 0.000 0.264 75 P C -0.707 176.624 177.300 0.052 0.000 1.183 75 P CA 0.382 63.504 63.100 0.037 0.000 0.763 75 P CB 0.292 32.019 31.700 0.044 0.000 0.807 76 R N 1.950 122.470 120.500 0.033 0.000 2.764 76 R HA 0.414 4.754 4.340 -0.000 0.000 0.270 76 R C -1.082 175.259 176.300 0.069 0.000 1.014 76 R CA -1.053 55.091 56.100 0.073 0.000 0.904 76 R CB 1.068 31.388 30.300 0.033 0.000 1.236 76 R HN 0.439 nan 8.270 nan 0.000 0.466 77 W N 3.825 125.106 121.300 -0.032 0.000 2.266 77 W HA 0.310 4.970 4.660 -0.000 0.000 0.317 77 W C -1.300 175.146 176.519 -0.121 0.000 1.310 77 W CA -0.539 56.769 57.345 -0.062 0.000 1.207 77 W CB 0.797 30.249 29.460 -0.014 0.000 1.199 77 W HN 0.431 nan 8.180 nan 0.000 0.544 78 L N 6.399 127.014 121.223 -1.014 0.000 2.262 78 L HA 0.129 4.469 4.340 -0.000 0.000 0.288 78 L C 0.641 177.066 176.870 -0.742 0.000 1.035 78 L CA -0.239 54.120 54.840 -0.802 0.000 0.820 78 L CB 1.211 42.681 42.059 -0.981 0.000 1.204 78 L HN 0.286 nan 8.230 nan 0.000 0.424 79 S N 2.051 117.571 115.700 -0.301 0.000 2.562 79 S HA 0.232 4.702 4.470 -0.000 0.000 0.275 79 S C 1.038 175.523 174.600 -0.191 0.000 1.281 79 S CA -0.611 57.528 58.200 -0.103 0.000 1.045 79 S CB 0.859 64.106 63.200 0.079 0.000 0.962 79 S HN 0.552 nan 8.310 nan 0.000 0.503 80 I N 5.170 125.603 120.570 -0.229 0.000 2.850 80 I HA -0.034 4.136 4.170 -0.000 0.000 0.266 80 I C 1.665 177.639 176.117 -0.239 0.000 1.257 80 I CA 0.747 61.875 61.300 -0.287 0.000 1.465 80 I CB -0.481 37.208 38.000 -0.517 0.000 1.091 80 I HN 0.775 nan 8.210 nan 0.000 0.467 81 L N -0.006 121.111 121.223 -0.177 0.000 2.083 81 L HA -0.038 4.301 4.340 -0.000 0.000 0.209 81 L C 1.202 178.010 176.870 -0.102 0.000 1.083 81 L CA 1.869 56.628 54.840 -0.134 0.000 0.752 81 L CB -0.782 41.240 42.059 -0.061 0.000 0.899 81 L HN 0.504 nan 8.230 nan 0.000 0.433 82 T N -4.723 109.769 114.554 -0.103 0.000 2.901 82 T HA 0.357 4.707 4.350 -0.000 0.000 0.293 82 T C 0.934 175.491 174.700 -0.237 0.000 1.084 82 T CA -0.862 61.162 62.100 -0.127 0.000 1.008 82 T CB 1.351 70.210 68.868 -0.015 0.000 1.170 82 T HN 0.024 nan 8.240 nan 0.000 0.509 83 R N 0.218 120.437 120.500 -0.468 0.000 2.241 83 R HA -0.016 4.323 4.340 -0.000 0.000 0.224 83 R C 0.642 176.615 176.300 -0.545 0.000 1.101 83 R CA 1.113 56.824 56.100 -0.648 0.000 0.995 83 R CB -0.688 28.856 30.300 -1.260 0.000 0.870 83 R HN 0.740 nan 8.270 nan 0.000 0.463 84 Y N -0.660 119.572 120.300 -0.113 0.000 2.457 84 Y HA 0.234 4.784 4.550 -0.000 0.000 0.263 84 Y C 1.618 177.455 175.900 -0.106 0.000 1.164 84 Y CA 0.297 58.359 58.100 -0.064 0.000 1.274 84 Y CB 0.234 38.606 38.460 -0.146 0.000 1.097 84 Y HN 0.242 nan 8.280 nan 0.000 0.523 85 G N 0.731 109.487 108.800 -0.073 0.000 2.168 85 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.263 85 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.263 85 G C 0.405 175.226 174.900 -0.133 0.000 0.977 85 G CA 0.483 45.464 45.100 -0.198 0.000 0.659 85 G HN 0.464 nan 8.290 nan 0.000 0.533 86 T N -1.023 113.476 114.554 -0.090 0.000 2.907 86 T HA 0.614 4.963 4.350 -0.000 0.000 0.298 86 T C -1.331 173.455 174.700 0.144 0.000 1.017 86 T CA -1.020 61.064 62.100 -0.027 0.000 1.118 86 T CB 2.422 71.131 68.868 -0.264 0.000 0.948 86 T HN 0.096 nan 8.240 nan 0.000 0.531 87 P HA 0.302 nan 4.420 nan 0.000 0.248 87 P C -0.922 176.585 177.300 0.346 0.000 1.708 87 P CA -0.288 62.973 63.100 0.268 0.000 1.062 87 P CB -0.500 31.372 31.700 0.287 0.000 1.562 88 F N 0.428 120.494 119.950 0.194 0.000 2.581 88 F HA 0.606 5.133 4.527 -0.000 0.000 0.311 88 F C -1.375 174.528 175.800 0.173 0.000 1.113 88 F CA -0.897 57.215 58.000 0.186 0.000 0.935 88 F CB 2.437 41.510 39.000 0.122 0.000 1.232 88 F HN -0.237 nan 8.300 nan 0.000 0.445 89 E N 6.375 126.137 120.200 -0.730 0.000 2.321 89 E HA 0.411 4.761 4.350 -0.000 0.000 0.281 89 E C -2.031 174.114 176.600 -0.758 0.000 0.910 89 E CA -0.668 55.394 56.400 -0.562 0.000 0.770 89 E CB 1.825 31.442 29.700 -0.138 0.000 1.225 89 E HN 0.773 nan 8.360 nan 0.000 0.417 90 L N 2.797 123.633 121.223 -0.645 0.000 2.334 90 L HA 0.461 4.800 4.340 -0.000 0.000 0.277 90 L C 0.015 176.723 176.870 -0.269 0.000 1.075 90 L CA -0.247 54.295 54.840 -0.497 0.000 0.804 90 L CB 1.556 43.316 42.059 -0.497 0.000 1.174 90 L HN 0.573 nan 8.230 nan 0.000 0.438 91 S N 2.788 118.326 115.700 -0.269 0.000 2.568 91 S HA 0.755 5.225 4.470 -0.000 0.000 0.293 91 S C -1.014 173.447 174.600 -0.230 0.000 1.089 91 S CA -0.866 57.122 58.200 -0.354 0.000 0.945 91 S CB 2.128 64.842 63.200 -0.811 0.000 1.077 91 S HN 0.401 nan 8.310 nan 0.000 0.485 92 L N 2.381 123.508 121.223 -0.160 0.000 2.325 92 L HA 0.495 4.835 4.340 -0.000 0.000 0.281 92 L C -0.209 176.599 176.870 -0.103 0.000 1.004 92 L CA -0.473 54.331 54.840 -0.059 0.000 0.823 92 L CB 1.285 43.385 42.059 0.068 0.000 1.236 92 L HN 0.960 nan 8.230 nan 0.000 0.415 93 N N 4.503 123.125 118.700 -0.130 0.000 2.415 93 N HA 0.027 4.767 4.740 -0.000 0.000 0.250 93 N C 0.542 175.887 175.510 -0.275 0.000 1.127 93 N CA -0.286 52.621 53.050 -0.239 0.000 0.945 93 N CB 0.629 38.974 38.487 -0.238 0.000 1.196 93 N HN 0.878 nan 8.380 nan 0.000 0.499 94 C N 1.497 120.633 119.300 -0.272 0.000 2.450 94 C HA -0.092 4.368 4.460 -0.000 0.000 0.279 94 C C 2.781 177.312 174.990 -0.765 0.000 1.335 94 C CA 0.689 59.477 59.018 -0.382 0.000 1.749 94 C CB -1.279 26.279 27.740 -0.303 0.000 1.963 94 C HN 0.866 nan 8.230 nan 0.000 0.501 95 S N 1.605 116.762 115.700 -0.905 0.000 2.402 95 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 95 S C 1.234 175.370 174.600 -0.774 0.000 1.021 95 S CA 1.354 58.773 58.200 -1.302 0.000 0.974 95 S CB -0.380 62.381 63.200 -0.732 0.000 0.800 95 S HN 0.698 nan 8.310 nan 0.000 0.484 96 N N 0.321 118.732 118.700 -0.482 0.000 2.184 96 N HA 0.220 4.960 4.740 -0.000 0.000 0.206 96 N C -0.463 174.920 175.510 -0.212 0.000 1.151 96 N CA 0.420 53.302 53.050 -0.279 0.000 0.878 96 N CB 0.719 39.119 38.487 -0.145 0.000 1.014 96 N HN 0.264 nan 8.380 nan 0.000 0.512 97 S N 0.983 116.548 115.700 -0.225 0.000 3.614 97 S HA -0.148 4.322 4.470 -0.000 0.000 0.360 97 S C -0.104 174.507 174.600 0.019 0.000 1.023 97 S CA 0.412 58.555 58.200 -0.096 0.000 1.114 97 S CB -1.092 62.055 63.200 -0.087 0.000 0.907 97 S HN 0.273 nan 8.310 nan 0.000 0.470 98 I N 1.588 122.169 120.570 0.018 0.000 2.336 98 I HA 0.367 4.536 4.170 -0.000 0.000 0.292 98 I C 0.612 176.812 176.117 0.139 0.000 0.991 98 I CA -0.709 60.671 61.300 0.133 0.000 1.227 98 I CB 1.280 39.323 38.000 0.071 0.000 1.366 98 I HN -0.033 nan 8.210 nan 0.000 0.466 99 V N 8.195 128.248 119.914 0.232 0.000 2.509 99 V HA 0.465 4.585 4.120 -0.000 0.000 0.284 99 V C 0.234 176.319 176.094 -0.015 0.000 1.047 99 V CA -0.563 61.757 62.300 0.033 0.000 0.952 99 V CB 1.386 33.160 31.823 -0.082 0.000 0.988 99 V HN 0.700 nan 8.190 nan 0.000 0.469 100 R N 3.170 123.628 120.500 -0.070 0.000 2.837 100 R HA 0.772 5.111 4.340 -0.000 0.000 0.271 100 R C -1.392 174.851 176.300 -0.094 0.000 0.993 100 R CA -0.744 55.312 56.100 -0.073 0.000 0.931 100 R CB 1.867 32.153 30.300 -0.025 0.000 1.206 100 R HN 0.777 nan 8.270 nan 0.000 0.474 101 Y N -2.920 117.275 120.300 -0.175 0.000 2.562 101 Y HA 0.774 5.324 4.550 -0.000 0.000 0.345 101 Y C -1.159 174.713 175.900 -0.047 0.000 1.045 101 Y CA -1.055 56.878 58.100 -0.278 0.000 1.028 101 Y CB 1.864 40.028 38.460 -0.493 0.000 1.297 101 Y HN 0.413 nan 8.280 nan 0.000 0.463 102 T N 4.054 118.648 114.554 0.066 0.000 2.856 102 T HA 0.714 5.064 4.350 -0.000 0.000 0.283 102 T C -1.258 173.631 174.700 0.315 0.000 1.008 102 T CA -0.616 61.570 62.100 0.144 0.000 0.997 102 T CB 1.044 69.912 68.868 0.001 0.000 0.992 102 T HN 0.695 nan 8.240 nan 0.000 0.454 103 F N -0.416 119.644 119.950 0.183 0.000 2.645 103 F HA 0.744 5.271 4.527 -0.000 0.000 0.310 103 F C -0.696 175.190 175.800 0.143 0.000 1.102 103 F CA -1.302 56.824 58.000 0.210 0.000 0.952 103 F CB 1.583 40.788 39.000 0.342 0.000 1.326 103 F HN 0.491 nan 8.300 nan 0.000 0.456 104 E N 3.110 123.404 120.200 0.158 0.000 2.109 104 E HA 0.441 4.791 4.350 -0.000 0.000 0.278 104 E C -2.698 173.964 176.600 0.103 0.000 0.954 104 E CA -2.453 53.955 56.400 0.013 0.000 0.779 104 E CB 1.273 31.037 29.700 0.107 0.000 1.093 104 E HN 0.320 nan 8.360 nan 0.000 0.401 105 P HA 0.042 nan 4.420 nan 0.000 0.264 105 P C -0.873 176.438 177.300 0.020 0.000 1.193 105 P CA 0.585 63.769 63.100 0.140 0.000 0.763 105 P CB 0.414 32.137 31.700 0.038 0.000 0.810 106 I N 3.117 123.719 120.570 0.054 0.000 2.582 106 I HA 0.413 4.583 4.170 -0.000 0.000 0.292 106 I C 0.160 176.282 176.117 0.009 0.000 1.066 106 I CA -0.608 60.665 61.300 -0.045 0.000 1.053 106 I CB 2.192 40.198 38.000 0.009 0.000 1.241 106 I HN 0.381 nan 8.210 nan 0.000 0.421 107 N N 3.694 122.383 118.700 -0.019 0.000 3.167 107 N HA 0.233 4.973 4.740 -0.000 0.000 0.323 107 N C 0.269 175.757 175.510 -0.038 0.000 1.478 107 N CA -0.843 52.211 53.050 0.006 0.000 0.753 107 N CB 0.259 38.775 38.487 0.047 0.000 1.721 107 N HN 0.610 nan 8.380 nan 0.000 0.618 108 Q N -1.283 118.450 119.800 -0.112 0.000 2.234 108 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 108 Q C 0.364 176.235 176.000 -0.215 0.000 0.980 108 Q CA 1.536 57.219 55.803 -0.199 0.000 0.869 108 Q CB -0.562 27.976 28.738 -0.333 0.000 0.912 108 Q HN 0.586 nan 8.270 nan 0.000 0.436 109 H N 0.398 119.485 119.070 0.028 0.000 2.563 109 H HA 0.168 4.724 4.556 -0.000 0.000 0.264 109 H C 0.228 175.549 175.328 -0.011 0.000 0.957 109 H CA 0.537 56.600 56.048 0.026 0.000 1.173 109 H CB 0.254 30.046 29.762 0.049 0.000 1.420 109 H HN 0.144 nan 8.280 nan 0.000 0.551 110 T N 0.749 115.312 114.554 0.014 0.000 2.831 110 T HA 0.205 4.555 4.350 -0.000 0.000 0.291 110 T C 1.268 175.920 174.700 -0.080 0.000 0.981 110 T CA 1.162 63.159 62.100 -0.172 0.000 1.174 110 T CB 0.245 68.926 68.868 -0.312 0.000 0.929 110 T HN 0.690 nan 8.240 nan 0.000 0.532 111 G N 3.084 111.833 108.800 -0.084 0.000 2.176 111 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.253 111 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.253 111 G C 0.417 175.357 174.900 0.067 0.000 0.979 111 G CA 0.359 45.542 45.100 0.138 0.000 0.641 111 G HN 1.106 nan 8.290 nan 0.000 0.530 112 T N -1.856 112.729 114.554 0.052 0.000 2.897 112 T HA 0.528 4.877 4.350 -0.000 0.000 0.278 112 T C 1.274 176.002 174.700 0.047 0.000 0.981 112 T CA 0.634 62.771 62.100 0.062 0.000 0.973 112 T CB 1.467 70.399 68.868 0.108 0.000 1.092 112 T HN 0.263 nan 8.240 nan 0.000 0.543 113 D N -0.555 119.875 120.400 0.051 0.000 2.350 113 D HA -0.091 4.549 4.640 -0.000 0.000 0.216 113 D C 1.427 177.777 176.300 0.083 0.000 0.968 113 D CA 0.899 54.935 54.000 0.060 0.000 0.894 113 D CB -0.256 40.579 40.800 0.060 0.000 0.909 113 D HN 0.634 nan 8.370 nan 0.000 0.520 114 K N -0.813 119.634 120.400 0.079 0.000 2.366 114 K HA -0.027 4.293 4.320 -0.000 0.000 0.198 114 K C 0.025 176.708 176.600 0.139 0.000 1.044 114 K CA 0.856 57.174 56.287 0.051 0.000 0.973 114 K CB 0.294 32.751 32.500 -0.073 0.000 0.767 114 K HN 0.049 nan 8.250 nan 0.000 0.475 115 D N -0.906 119.580 120.400 0.143 0.000 3.250 115 D HA 0.069 4.709 4.640 -0.000 0.000 0.252 115 D C -2.346 173.961 176.300 0.012 0.000 1.342 115 D CA -1.213 52.879 54.000 0.154 0.000 0.807 115 D CB 0.904 41.821 40.800 0.194 0.000 1.449 115 D HN -0.172 nan 8.370 nan 0.000 0.610 116 P HA 0.023 nan 4.420 nan 0.000 0.223 116 P C 0.804 177.812 177.300 -0.487 0.000 1.151 116 P CA 0.580 63.518 63.100 -0.269 0.000 0.787 116 P CB -0.030 31.436 31.700 -0.390 0.000 0.788 117 F N -1.464 118.560 119.950 0.123 0.000 2.668 117 F HA 0.322 4.849 4.527 -0.000 0.000 0.301 117 F C 0.658 176.448 175.800 -0.016 0.000 1.106 117 F CA -0.601 57.519 58.000 0.201 0.000 1.289 117 F CB -0.918 38.172 39.000 0.150 0.000 1.006 117 F HN -0.173 nan 8.300 nan 0.000 0.535 118 N N 0.649 119.214 118.700 -0.226 0.000 2.738 118 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 118 N C 0.943 176.329 175.510 -0.207 0.000 1.047 118 N CA 1.036 53.816 53.050 -0.450 0.000 0.707 118 N CB -1.238 36.561 38.487 -1.147 0.000 0.937 118 N HN 0.282 nan 8.380 nan 0.000 0.545 119 T N -1.711 112.734 114.554 -0.182 0.000 3.037 119 T HA 0.109 4.459 4.350 -0.000 0.000 0.251 119 T C 1.124 175.708 174.700 -0.193 0.000 1.079 119 T CA 0.745 62.725 62.100 -0.200 0.000 1.067 119 T CB 0.009 68.739 68.868 -0.229 0.000 0.948 119 T HN 0.471 nan 8.240 nan 0.000 0.496 120 H N -0.000 119.139 119.070 0.116 0.000 2.520 120 H HA 0.437 4.993 4.556 -0.000 0.000 0.279 120 H C 2.449 177.903 175.328 0.209 0.000 0.990 120 H CA 0.776 56.976 56.048 0.253 0.000 1.288 120 H CB -0.269 29.628 29.762 0.224 0.000 1.446 120 H HN 0.409 nan 8.280 nan 0.000 0.538 121 A N 1.602 124.515 122.820 0.155 0.000 1.978 121 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 121 A C 2.432 180.058 177.584 0.070 0.000 1.170 121 A CA 1.095 53.193 52.037 0.102 0.000 0.636 121 A CB -0.841 18.156 19.000 -0.004 0.000 0.810 121 A HN 0.377 nan 8.150 nan 0.000 0.448 122 I N -1.588 118.962 120.570 -0.033 0.000 2.264 122 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 122 I C 2.162 178.211 176.117 -0.112 0.000 1.111 122 I CA 1.613 62.837 61.300 -0.127 0.000 1.382 122 I CB -0.128 37.744 38.000 -0.212 0.000 1.060 122 I HN 0.616 nan 8.210 nan 0.000 0.418 123 W N 0.966 122.323 121.300 0.096 0.000 2.363 123 W HA -0.209 4.450 4.660 -0.000 0.000 0.296 123 W C 2.546 179.050 176.519 -0.026 0.000 1.212 123 W CA 1.388 58.768 57.345 0.059 0.000 1.260 123 W CB -0.378 29.143 29.460 0.101 0.000 1.131 123 W HN 0.197 nan 8.180 nan 0.000 0.530 124 E N 0.177 120.483 120.200 0.176 0.000 2.072 124 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 124 E C 2.117 178.565 176.600 -0.254 0.000 0.985 124 E CA 1.698 58.071 56.400 -0.045 0.000 0.801 124 E CB -0.214 29.504 29.700 0.029 0.000 0.750 124 E HN 0.062 nan 8.360 nan 0.000 0.452 125 S N 0.656 116.338 115.700 -0.030 0.000 2.368 125 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 125 S C 1.929 176.559 174.600 0.049 0.000 1.030 125 S CA 0.837 59.088 58.200 0.086 0.000 0.999 125 S CB -0.199 63.163 63.200 0.271 0.000 0.844 125 S HN 0.275 nan 8.310 nan 0.000 0.459 126 L N 1.377 122.596 121.223 -0.008 0.000 2.046 126 L HA -0.184 4.155 4.340 -0.000 0.000 0.208 126 L C 2.855 179.742 176.870 0.029 0.000 1.077 126 L CA 1.406 56.240 54.840 -0.010 0.000 0.747 126 L CB -0.551 41.454 42.059 -0.089 0.000 0.896 126 L HN 0.412 nan 8.230 nan 0.000 0.432 127 Q N -0.522 119.262 119.800 -0.026 0.000 2.135 127 Q HA -0.242 4.097 4.340 -0.000 0.000 0.204 127 Q C 2.130 178.148 176.000 0.031 0.000 0.981 127 Q CA 1.580 57.364 55.803 -0.032 0.000 0.856 127 Q CB 0.033 28.703 28.738 -0.113 0.000 0.902 127 Q HN 0.587 nan 8.270 nan 0.000 0.425 128 H N -0.227 118.906 119.070 0.105 0.000 2.462 128 H HA -0.009 4.546 4.556 -0.000 0.000 0.292 128 H C 1.958 177.357 175.328 0.119 0.000 1.049 128 H CA 0.919 57.022 56.048 0.091 0.000 1.334 128 H CB 0.032 29.834 29.762 0.067 0.000 1.404 128 H HN 0.284 nan 8.280 nan 0.000 0.544 129 L N -0.633 120.739 121.223 0.248 0.000 2.253 129 L HA -0.049 4.291 4.340 -0.000 0.000 0.205 129 L C 2.141 179.191 176.870 0.299 0.000 1.078 129 L CA 0.002 55.020 54.840 0.296 0.000 0.805 129 L CB -0.182 42.059 42.059 0.303 0.000 0.963 129 L HN 0.082 nan 8.230 nan 0.000 0.459 130 L N 0.909 122.246 121.223 0.190 0.000 2.010 130 L HA -0.196 4.143 4.340 -0.000 0.000 0.219 130 L C -0.326 176.614 176.870 0.117 0.000 1.077 130 L CA 2.457 57.374 54.840 0.128 0.000 0.773 130 L CB -1.769 40.343 42.059 0.089 0.000 0.892 130 L HN 0.165 nan 8.230 nan 0.000 0.436 131 P HA -0.117 nan 4.420 nan 0.000 0.225 131 P C 1.763 179.130 177.300 0.111 0.000 1.148 131 P CA 1.136 64.297 63.100 0.101 0.000 0.779 131 P CB 0.020 31.782 31.700 0.104 0.000 0.780 132 L N -1.579 119.749 121.223 0.176 0.000 2.509 132 L HA 0.118 4.458 4.340 -0.000 0.000 0.222 132 L C 0.657 177.585 176.870 0.097 0.000 1.123 132 L CA 0.486 55.452 54.840 0.211 0.000 0.856 132 L CB -0.068 42.233 42.059 0.403 0.000 0.985 132 L HN -0.068 nan 8.230 nan 0.000 0.456 133 E N -0.154 120.036 120.200 -0.016 0.000 2.542 133 E HA 0.130 4.480 4.350 -0.000 0.000 0.298 133 E C 0.174 176.689 176.600 -0.140 0.000 0.980 133 E CA -0.109 56.143 56.400 -0.247 0.000 0.792 133 E CB 0.992 30.201 29.700 -0.820 0.000 1.463 133 E HN -0.113 nan 8.360 nan 0.000 0.389 134 K N 1.070 121.412 120.400 -0.096 0.000 2.148 134 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 134 K C 1.384 177.944 176.600 -0.067 0.000 1.050 134 K CA 1.391 57.645 56.287 -0.055 0.000 0.942 134 K CB 0.156 32.632 32.500 -0.041 0.000 0.724 134 K HN 0.478 nan 8.250 nan 0.000 0.446 135 S N 0.422 116.062 115.700 -0.100 0.000 2.603 135 S HA 0.009 4.479 4.470 -0.000 0.000 0.229 135 S C 0.731 175.275 174.600 -0.095 0.000 0.972 135 S CA -0.091 58.051 58.200 -0.096 0.000 0.935 135 S CB -0.509 62.627 63.200 -0.105 0.000 0.769 135 S HN 0.125 nan 8.310 nan 0.000 0.536 136 I N 2.327 122.841 120.570 -0.094 0.000 2.618 136 I HA 0.206 4.376 4.170 -0.000 0.000 0.284 136 I C 0.057 176.151 176.117 -0.038 0.000 1.146 136 I CA 0.125 61.390 61.300 -0.058 0.000 1.425 136 I CB 0.402 38.386 38.000 -0.027 0.000 1.383 136 I HN 0.248 nan 8.210 nan 0.000 0.562 137 D N 5.689 126.068 120.400 -0.035 0.000 2.780 137 D HA 0.392 5.032 4.640 -0.000 0.000 0.242 137 D C 0.034 176.354 176.300 0.034 0.000 1.135 137 D CA -0.552 53.438 54.000 -0.018 0.000 0.859 137 D CB 1.531 42.290 40.800 -0.068 0.000 1.530 137 D HN 0.376 nan 8.370 nan 0.000 0.493 138 L N 2.864 124.143 121.223 0.093 0.000 2.667 138 L HA 0.259 4.599 4.340 -0.000 0.000 0.232 138 L C 1.827 178.879 176.870 0.303 0.000 1.138 138 L CA -0.101 54.868 54.840 0.214 0.000 0.921 138 L CB 0.041 42.242 42.059 0.238 0.000 1.180 138 L HN 0.622 nan 8.230 nan 0.000 0.487 139 E N 0.732 121.051 120.200 0.200 0.000 2.031 139 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 139 E C 1.764 178.590 176.600 0.376 0.000 0.994 139 E CA 1.736 58.274 56.400 0.229 0.000 0.800 139 E CB 0.058 29.842 29.700 0.141 0.000 0.752 139 E HN 0.442 nan 8.360 nan 0.000 0.447 140 W N -0.066 121.286 121.300 0.087 0.000 2.418 140 W HA -0.047 4.613 4.660 -0.000 0.000 0.292 140 W C 2.091 178.704 176.519 0.157 0.000 1.213 140 W CA 0.199 57.561 57.345 0.029 0.000 1.283 140 W CB -1.208 28.309 29.460 0.095 0.000 1.119 140 W HN 0.174 nan 8.180 nan 0.000 0.542 141 F N 1.613 121.777 119.950 0.357 0.000 2.095 141 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 141 F C 2.384 178.321 175.800 0.229 0.000 1.104 141 F CA 2.191 60.348 58.000 0.261 0.000 1.232 141 F CB -0.375 38.708 39.000 0.137 0.000 0.987 141 F HN -0.256 nan 8.300 nan 0.000 0.475 142 R N -1.184 119.530 120.500 0.357 0.000 2.081 142 R HA -0.213 4.127 4.340 -0.000 0.000 0.235 142 R C 2.211 178.583 176.300 0.120 0.000 1.131 142 R CA 1.670 57.952 56.100 0.304 0.000 0.960 142 R CB -0.927 29.596 30.300 0.373 0.000 0.856 142 R HN 0.468 nan 8.270 nan 0.000 0.436 143 H N 0.114 119.161 119.070 -0.037 0.000 2.267 143 H HA -0.154 4.402 4.556 -0.000 0.000 0.297 143 H C 1.622 176.819 175.328 -0.218 0.000 1.080 143 H CA 2.110 58.032 56.048 -0.209 0.000 1.278 143 H CB -0.180 29.307 29.762 -0.459 0.000 1.365 143 H HN 0.053 nan 8.280 nan 0.000 0.489 144 F N 0.819 120.730 119.950 -0.064 0.000 2.186 144 F HA -0.035 4.492 4.527 -0.000 0.000 0.299 144 F C 2.664 178.307 175.800 -0.263 0.000 1.090 144 F CA 1.503 59.393 58.000 -0.183 0.000 1.307 144 F CB -0.460 38.469 39.000 -0.118 0.000 1.019 144 F HN 0.204 nan 8.300 nan 0.000 0.489 145 K N -0.818 119.464 120.400 -0.197 0.000 2.103 145 K HA -0.194 4.125 4.320 -0.000 0.000 0.204 145 K C 2.372 178.915 176.600 -0.094 0.000 1.052 145 K CA 1.076 57.195 56.287 -0.280 0.000 0.945 145 K CB -0.384 31.742 32.500 -0.622 0.000 0.722 145 K HN 0.271 nan 8.250 nan 0.000 0.443 146 H N 0.832 119.836 119.070 -0.110 0.000 2.290 146 H HA -0.146 4.409 4.556 -0.000 0.000 0.298 146 H C 1.045 176.305 175.328 -0.113 0.000 1.087 146 H CA 2.183 58.187 56.048 -0.072 0.000 1.291 146 H CB 0.199 29.907 29.762 -0.091 0.000 1.369 146 H HN 0.302 nan 8.280 nan 0.000 0.492 147 D N 0.123 120.462 120.400 -0.102 0.000 2.194 147 D HA -0.016 4.624 4.640 -0.000 0.000 0.204 147 D C 2.018 178.254 176.300 -0.106 0.000 0.964 147 D CA 0.675 54.604 54.000 -0.119 0.000 0.846 147 D CB 0.190 40.901 40.800 -0.149 0.000 0.962 147 D HN 0.402 nan 8.370 nan 0.000 0.490 148 L N -0.255 120.917 121.223 -0.085 0.000 2.858 148 L HA 0.193 4.532 4.340 -0.000 0.000 0.251 148 L C 0.654 177.483 176.870 -0.070 0.000 1.149 148 L CA -0.001 54.799 54.840 -0.066 0.000 0.955 148 L CB 0.520 42.548 42.059 -0.052 0.000 1.289 148 L HN -0.056 nan 8.230 nan 0.000 0.542 149 T N -2.098 112.404 114.554 -0.087 0.000 2.924 149 T HA 0.586 4.936 4.350 -0.000 0.000 0.291 149 T C -0.217 174.436 174.700 -0.078 0.000 1.045 149 T CA -0.668 61.392 62.100 -0.067 0.000 1.015 149 T CB 1.862 70.691 68.868 -0.066 0.000 1.103 149 T HN -0.087 nan 8.240 nan 0.000 0.496 150 L N 3.090 124.276 121.223 -0.061 0.000 2.456 150 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 150 L C 0.961 177.804 176.870 -0.043 0.000 1.189 150 L CA -0.722 54.080 54.840 -0.062 0.000 0.846 150 L CB -0.055 41.968 42.059 -0.060 0.000 1.111 150 L HN 0.845 nan 8.230 nan 0.000 0.475 151 N N 0.276 118.959 118.700 -0.028 0.000 2.476 151 N HA 0.187 4.927 4.740 -0.000 0.000 0.287 151 N C 0.526 176.094 175.510 0.095 0.000 1.262 151 N CA -0.674 52.395 53.050 0.033 0.000 0.980 151 N CB 0.425 38.911 38.487 -0.002 0.000 1.163 151 N HN 0.412 nan 8.380 nan 0.000 0.592 152 S N -1.034 114.776 115.700 0.183 0.000 2.382 152 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 152 S C 1.403 176.098 174.600 0.159 0.000 1.027 152 S CA 1.105 59.444 58.200 0.230 0.000 0.991 152 S CB -0.469 62.863 63.200 0.220 0.000 0.823 152 S HN 0.727 nan 8.310 nan 0.000 0.469 153 E N 1.030 121.293 120.200 0.104 0.000 2.047 153 E HA -0.164 4.185 4.350 -0.000 0.000 0.191 153 E C 1.866 178.532 176.600 0.110 0.000 0.987 153 E CA 1.005 57.456 56.400 0.085 0.000 0.799 153 E CB -0.028 29.694 29.700 0.035 0.000 0.752 153 E HN 0.560 nan 8.360 nan 0.000 0.449 154 E N 0.064 120.305 120.200 0.070 0.000 2.110 154 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 154 E C 2.200 178.893 176.600 0.156 0.000 0.988 154 E CA 1.168 57.613 56.400 0.074 0.000 0.804 154 E CB 0.043 29.732 29.700 -0.019 0.000 0.745 154 E HN 0.099 nan 8.360 nan 0.000 0.458 155 S N 0.827 116.629 115.700 0.170 0.000 2.356 155 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 155 S C 2.153 176.999 174.600 0.411 0.000 1.032 155 S CA 1.071 59.465 58.200 0.324 0.000 1.005 155 S CB -0.233 63.182 63.200 0.358 0.000 0.867 155 S HN 0.409 nan 8.310 nan 0.000 0.449 156 A N 1.007 124.013 122.820 0.308 0.000 1.898 156 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 156 A C 1.900 179.682 177.584 0.329 0.000 1.181 156 A CA 1.374 53.596 52.037 0.308 0.000 0.620 156 A CB -0.866 18.246 19.000 0.186 0.000 0.819 156 A HN 0.500 nan 8.150 nan 0.000 0.442 157 F N 0.531 120.556 119.950 0.124 0.000 2.069 157 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 157 F C 1.946 177.833 175.800 0.144 0.000 1.113 157 F CA 1.944 59.998 58.000 0.089 0.000 1.214 157 F CB -0.353 38.663 39.000 0.026 0.000 0.978 157 F HN 0.145 nan 8.300 nan 0.000 0.474 158 L N 0.006 121.339 121.223 0.183 0.000 2.042 158 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 158 L C 2.808 179.814 176.870 0.226 0.000 1.076 158 L CA 1.261 56.122 54.840 0.034 0.000 0.749 158 L CB -1.068 40.844 42.059 -0.244 0.000 0.893 158 L HN 0.353 nan 8.230 nan 0.000 0.432 159 A N -0.748 122.352 122.820 0.466 0.000 1.908 159 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 159 A C 1.874 179.502 177.584 0.074 0.000 1.181 159 A CA 1.863 54.083 52.037 0.305 0.000 0.627 159 A CB -0.801 18.342 19.000 0.237 0.000 0.818 159 A HN 0.479 nan 8.150 nan 0.000 0.445 160 H N -0.501 118.567 119.070 -0.003 0.000 2.529 160 H HA 0.114 4.669 4.556 -0.000 0.000 0.277 160 H C 0.350 175.591 175.328 -0.145 0.000 0.999 160 H CA 1.076 57.084 56.048 -0.067 0.000 1.256 160 H CB 0.201 29.923 29.762 -0.066 0.000 1.402 160 H HN 0.417 nan 8.280 nan 0.000 0.566 161 N N 1.027 119.644 118.700 -0.138 0.000 2.541 161 N HA -0.014 4.726 4.740 -0.000 0.000 0.297 161 N C -0.213 175.234 175.510 -0.105 0.000 1.503 161 N CA 0.178 53.099 53.050 -0.216 0.000 0.919 161 N CB 0.780 38.934 38.487 -0.556 0.000 1.305 161 N HN 0.497 nan 8.380 nan 0.000 0.501 162 D N 0.237 120.624 120.400 -0.021 0.000 2.378 162 D HA -0.155 4.485 4.640 -0.000 0.000 0.227 162 D C 1.860 178.171 176.300 0.019 0.000 1.012 162 D CA 0.197 54.225 54.000 0.047 0.000 0.905 162 D CB -0.029 40.824 40.800 0.088 0.000 0.895 162 D HN 0.346 nan 8.370 nan 0.000 0.532 163 R N 1.220 121.713 120.500 -0.011 0.000 2.117 163 R HA -0.167 4.173 4.340 -0.000 0.000 0.243 163 R C 1.778 178.074 176.300 -0.006 0.000 1.143 163 R CA 1.210 57.304 56.100 -0.010 0.000 0.968 163 R CB -0.896 29.394 30.300 -0.018 0.000 0.863 163 R HN 0.275 nan 8.270 nan 0.000 0.444 164 L N 1.027 122.243 121.223 -0.012 0.000 2.265 164 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 164 L C 2.329 179.201 176.870 0.003 0.000 1.117 164 L CA 0.681 55.520 54.840 -0.002 0.000 0.782 164 L CB -0.124 41.936 42.059 0.002 0.000 0.914 164 L HN 0.099 nan 8.230 nan 0.000 0.441 165 V N -1.135 118.793 119.914 0.025 0.000 2.436 165 V HA 0.227 4.347 4.120 -0.000 0.000 0.240 165 V C 1.666 177.778 176.094 0.030 0.000 1.040 165 V CA 1.046 63.376 62.300 0.048 0.000 1.052 165 V CB -0.468 31.454 31.823 0.164 0.000 0.707 165 V HN 0.603 nan 8.190 nan 0.000 0.469 166 G N 0.605 109.422 108.800 0.028 0.000 2.556 166 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.283 166 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.283 166 G C 0.944 175.850 174.900 0.009 0.000 1.177 166 G CA 0.286 45.391 45.100 0.009 0.000 0.978 166 G HN 1.050 nan 8.290 nan 0.000 0.554 167 G N 0.148 108.947 108.800 -0.002 0.000 2.985 167 G HA2 0.390 4.349 3.960 -0.000 0.000 0.209 167 G HA3 0.390 4.349 3.960 -0.000 0.000 0.209 167 G C 0.818 175.715 174.900 -0.006 0.000 1.165 167 G CA 1.385 46.486 45.100 0.001 0.000 0.776 167 G HN 1.187 nan 8.290 nan 0.000 0.541 168 T N 3.068 117.614 114.554 -0.013 0.000 2.871 168 T HA 0.122 4.472 4.350 -0.000 0.000 0.296 168 T C 0.694 175.369 174.700 -0.041 0.000 0.998 168 T CA -0.209 61.876 62.100 -0.025 0.000 1.162 168 T CB 1.164 70.022 68.868 -0.017 0.000 0.947 168 T HN -0.076 nan 8.240 nan 0.000 0.536 169 I N 3.846 124.369 120.570 -0.078 0.000 2.752 169 I HA 0.005 4.175 4.170 -0.000 0.000 0.289 169 I C 1.583 177.650 176.117 -0.083 0.000 1.197 169 I CA 0.484 61.689 61.300 -0.159 0.000 1.432 169 I CB 0.126 38.017 38.000 -0.183 0.000 1.359 169 I HN 0.716 nan 8.210 nan 0.000 0.571 170 R N 2.455 122.907 120.500 -0.080 0.000 2.334 170 R HA 0.079 4.419 4.340 -0.000 0.000 0.216 170 R C 0.322 176.822 176.300 0.334 0.000 0.905 170 R CA -0.030 56.203 56.100 0.222 0.000 1.064 170 R CB -0.076 30.474 30.300 0.417 0.000 1.046 170 R HN 0.586 nan 8.270 nan 0.000 0.508 171 T N 2.398 117.073 114.554 0.202 0.000 2.800 171 T HA -0.069 4.281 4.350 -0.000 0.000 0.283 171 T C 1.050 175.819 174.700 0.116 0.000 0.999 171 T CA 0.426 62.634 62.100 0.180 0.000 1.176 171 T CB 0.699 69.492 68.868 -0.125 0.000 0.973 171 T HN 0.145 nan 8.240 nan 0.000 0.519 172 Q N 2.446 122.335 119.800 0.148 0.000 2.226 172 Q HA 0.124 4.464 4.340 -0.000 0.000 0.199 172 Q C 0.749 176.838 176.000 0.148 0.000 0.945 172 Q CA 1.048 56.925 55.803 0.123 0.000 0.861 172 Q CB 0.224 28.997 28.738 0.058 0.000 0.953 172 Q HN 0.914 nan 8.270 nan 0.000 0.490 173 N N -0.944 117.822 118.700 0.109 0.000 2.636 173 N HA 0.415 5.155 4.740 -0.000 0.000 0.261 173 N C -1.372 174.177 175.510 0.066 0.000 1.195 173 N CA -0.527 52.591 53.050 0.114 0.000 0.902 173 N CB 1.993 40.501 38.487 0.034 0.000 1.627 173 N HN -0.227 nan 8.380 nan 0.000 0.491 174 K N 0.706 121.172 120.400 0.109 0.000 2.433 174 K HA 0.627 4.947 4.320 -0.000 0.000 0.252 174 K C -1.214 175.372 176.600 -0.022 0.000 1.015 174 K CA -0.748 55.544 56.287 0.010 0.000 0.860 174 K CB 2.483 35.047 32.500 0.107 0.000 1.359 174 K HN 0.348 nan 8.250 nan 0.000 0.452 175 L N 0.740 121.802 121.223 -0.267 0.000 2.354 175 L HA 0.785 5.125 4.340 -0.000 0.000 0.264 175 L C -0.968 175.866 176.870 -0.060 0.000 1.008 175 L CA -0.941 53.765 54.840 -0.223 0.000 0.819 175 L CB 2.139 43.944 42.059 -0.424 0.000 1.339 175 L HN 0.759 nan 8.230 nan 0.000 0.420 176 A N 2.259 125.112 122.820 0.054 0.000 2.475 176 A HA 0.889 5.209 4.320 -0.000 0.000 0.301 176 A C -1.598 175.961 177.584 -0.041 0.000 1.059 176 A CA -0.443 51.635 52.037 0.068 0.000 0.710 176 A CB 1.649 20.819 19.000 0.282 0.000 1.288 176 A HN 0.458 nan 8.150 nan 0.000 0.408 177 L N 1.805 122.873 121.223 -0.259 0.000 2.333 177 L HA 0.451 4.791 4.340 -0.000 0.000 0.280 177 L C -1.081 175.704 176.870 -0.142 0.000 1.004 177 L CA -0.191 54.526 54.840 -0.206 0.000 0.820 177 L CB 1.885 43.640 42.059 -0.507 0.000 1.247 177 L HN 0.543 nan 8.230 nan 0.000 0.416 178 D N 3.997 124.418 120.400 0.034 0.000 2.280 178 D HA 0.415 5.055 4.640 -0.000 0.000 0.243 178 D C -0.399 175.949 176.300 0.080 0.000 1.129 178 D CA 0.022 54.056 54.000 0.057 0.000 0.848 178 D CB 1.410 42.271 40.800 0.102 0.000 1.107 178 D HN 0.280 nan 8.370 nan 0.000 0.471 179 L N 1.959 123.183 121.223 0.002 0.000 2.272 179 L HA 0.529 4.869 4.340 -0.000 0.000 0.284 179 L C 0.590 177.563 176.870 0.171 0.000 1.045 179 L CA -0.564 54.193 54.840 -0.139 0.000 0.842 179 L CB 0.085 41.708 42.059 -0.728 0.000 1.224 179 L HN 0.267 nan 8.230 nan 0.000 0.430 180 K N 1.420 121.972 120.400 0.254 0.000 2.507 180 K HA 0.405 4.725 4.320 -0.000 0.000 0.251 180 K C 0.003 176.768 176.600 0.275 0.000 0.943 180 K CA -0.673 55.749 56.287 0.224 0.000 0.794 180 K CB 1.182 33.756 32.500 0.123 0.000 1.188 180 K HN 0.572 nan 8.250 nan 0.000 0.428 181 D N 1.415 121.955 120.400 0.233 0.000 2.746 181 D HA -0.175 4.465 4.640 -0.000 0.000 0.236 181 D C 1.014 177.436 176.300 0.203 0.000 1.129 181 D CA 2.600 56.698 54.000 0.164 0.000 0.691 181 D CB -1.263 39.590 40.800 0.088 0.000 1.077 181 D HN 2.036 nan 8.370 nan 0.000 0.432 182 G N -0.573 108.414 108.800 0.312 0.000 2.162 182 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.260 182 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.260 182 G C 0.460 175.506 174.900 0.243 0.000 0.976 182 G CA 0.916 46.121 45.100 0.175 0.000 0.655 182 G HN 0.577 nan 8.290 nan 0.000 0.533 183 R N -1.116 119.608 120.500 0.372 0.000 2.930 183 R HA 0.827 5.166 4.340 -0.000 0.000 0.257 183 R C -0.450 176.139 176.300 0.482 0.000 1.107 183 R CA -0.604 55.667 56.100 0.285 0.000 0.999 183 R CB 1.133 31.495 30.300 0.103 0.000 1.209 183 R HN 0.517 nan 8.270 nan 0.000 0.486 184 F N -1.469 118.620 119.950 0.232 0.000 2.601 184 F HA 0.851 5.378 4.527 -0.000 0.000 0.309 184 F C -1.215 174.639 175.800 0.090 0.000 1.089 184 F CA -1.367 56.726 58.000 0.156 0.000 0.940 184 F CB 1.632 40.731 39.000 0.164 0.000 1.273 184 F HN 0.519 nan 8.300 nan 0.000 0.450 185 A N 3.955 126.901 122.820 0.210 0.000 2.317 185 A HA 0.733 5.053 4.320 -0.000 0.000 0.327 185 A C -1.251 176.454 177.584 0.202 0.000 1.178 185 A CA -0.782 51.318 52.037 0.105 0.000 0.817 185 A CB 1.027 20.069 19.000 0.069 0.000 1.189 185 A HN 0.939 nan 8.150 nan 0.000 0.489 186 L N 2.141 123.457 121.223 0.154 0.000 2.309 186 L HA 0.501 4.841 4.340 -0.000 0.000 0.282 186 L C -0.173 176.719 176.870 0.037 0.000 1.036 186 L CA -0.364 54.562 54.840 0.143 0.000 0.806 186 L CB 1.680 43.828 42.059 0.149 0.000 1.220 186 L HN 0.800 nan 8.230 nan 0.000 0.429 187 K N 1.503 121.895 120.400 -0.014 0.000 2.395 187 K HA 0.555 4.875 4.320 -0.000 0.000 0.247 187 K C -0.962 175.508 176.600 -0.216 0.000 0.973 187 K CA -0.693 55.518 56.287 -0.127 0.000 0.828 187 K CB 2.520 34.911 32.500 -0.182 0.000 1.272 187 K HN 0.375 nan 8.250 nan 0.000 0.439 188 T N 0.641 115.016 114.554 -0.297 0.000 2.924 188 T HA 0.601 4.951 4.350 -0.000 0.000 0.291 188 T C -1.738 172.586 174.700 -0.626 0.000 1.045 188 T CA -0.567 61.390 62.100 -0.239 0.000 1.015 188 T CB 0.521 69.491 68.868 0.170 0.000 1.103 188 T HN 0.364 nan 8.240 nan 0.000 0.496 189 Y N 2.249 122.531 120.300 -0.030 0.000 2.391 189 Y HA 0.680 5.230 4.550 -0.000 0.000 0.341 189 Y C -0.075 175.763 175.900 -0.103 0.000 0.965 189 Y CA -0.937 57.079 58.100 -0.141 0.000 1.067 189 Y CB 1.485 39.860 38.460 -0.141 0.000 1.199 189 Y HN 0.437 nan 8.280 nan 0.000 0.450 190 I N 3.664 124.149 120.570 -0.141 0.000 2.466 190 I HA 0.293 4.463 4.170 -0.000 0.000 0.289 190 I C -1.369 174.597 176.117 -0.252 0.000 1.026 190 I CA -0.824 60.414 61.300 -0.104 0.000 1.078 190 I CB 1.537 39.449 38.000 -0.146 0.000 1.249 190 I HN 0.559 nan 8.210 nan 0.000 0.429 191 Y N 7.234 127.499 120.300 -0.058 0.000 2.593 191 Y HA 0.315 4.864 4.550 -0.000 0.000 0.331 191 Y C -1.792 174.084 175.900 -0.041 0.000 0.986 191 Y CA -1.837 56.235 58.100 -0.047 0.000 1.262 191 Y CB 0.843 39.286 38.460 -0.029 0.000 1.098 191 Y HN 0.425 nan 8.280 nan 0.000 0.506 192 P HA 0.045 nan 4.420 nan 0.000 0.253 192 P C 1.157 178.468 177.300 0.019 0.000 1.260 192 P CA 0.442 63.543 63.100 0.002 0.000 0.800 192 P CB 0.403 32.084 31.700 -0.031 0.000 1.162 193 A N 0.499 123.353 122.820 0.055 0.000 1.892 193 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 193 A C 2.006 179.587 177.584 -0.006 0.000 1.188 193 A CA 1.624 53.681 52.037 0.033 0.000 0.631 193 A CB -1.501 17.529 19.000 0.050 0.000 0.822 193 A HN 0.200 nan 8.150 nan 0.000 0.447 194 L N -1.564 119.646 121.223 -0.022 0.000 2.179 194 L HA -0.077 4.262 4.340 -0.000 0.000 0.208 194 L C 2.476 179.293 176.870 -0.087 0.000 1.096 194 L CA 1.277 56.066 54.840 -0.085 0.000 0.779 194 L CB -0.353 41.605 42.059 -0.168 0.000 0.922 194 L HN 0.295 nan 8.230 nan 0.000 0.443 195 K N 1.205 121.567 120.400 -0.063 0.000 2.044 195 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 195 K C 2.057 178.627 176.600 -0.050 0.000 1.049 195 K CA 1.854 58.103 56.287 -0.064 0.000 0.927 195 K CB -0.402 32.066 32.500 -0.054 0.000 0.713 195 K HN 0.243 nan 8.250 nan 0.000 0.443 196 A N -0.140 122.663 122.820 -0.030 0.000 1.902 196 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 196 A C 2.329 179.901 177.584 -0.019 0.000 1.181 196 A CA 1.863 53.891 52.037 -0.016 0.000 0.623 196 A CB -0.815 18.187 19.000 0.003 0.000 0.818 196 A HN 0.122 nan 8.150 nan 0.000 0.443 197 V N 0.417 120.318 119.914 -0.022 0.000 2.255 197 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 197 V C 2.750 178.847 176.094 0.005 0.000 1.051 197 V CA 2.284 64.580 62.300 -0.006 0.000 1.018 197 V CB -1.221 30.595 31.823 -0.011 0.000 0.641 197 V HN 0.603 nan 8.190 nan 0.000 0.445 198 V N -0.551 119.352 119.914 -0.019 0.000 2.453 198 V HA -0.140 3.980 4.120 -0.000 0.000 0.247 198 V C 2.384 178.405 176.094 -0.123 0.000 1.048 198 V CA 2.196 64.460 62.300 -0.060 0.000 1.049 198 V CB -1.484 30.292 31.823 -0.078 0.000 0.672 198 V HN 0.685 nan 8.190 nan 0.000 0.457 199 T N -3.046 111.456 114.554 -0.086 0.000 3.067 199 T HA 0.372 4.722 4.350 -0.000 0.000 0.257 199 T C 1.816 176.481 174.700 -0.060 0.000 1.105 199 T CA 1.117 63.166 62.100 -0.084 0.000 1.104 199 T CB 0.240 69.068 68.868 -0.066 0.000 0.925 199 T HN 1.563 nan 8.240 nan 0.000 0.498 200 G N 1.486 110.261 108.800 -0.040 0.000 2.179 200 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 200 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 200 G C 0.139 175.031 174.900 -0.013 0.000 0.977 200 G CA 0.125 45.211 45.100 -0.024 0.000 0.641 200 G HN 0.611 nan 8.290 nan 0.000 0.533 201 K N 1.608 122.002 120.400 -0.010 0.000 2.202 201 K HA 0.450 4.770 4.320 -0.000 0.000 0.264 201 K C 1.172 177.785 176.600 0.021 0.000 1.010 201 K CA 0.422 56.714 56.287 0.008 0.000 0.940 201 K CB 0.763 33.271 32.500 0.013 0.000 0.983 201 K HN 0.500 nan 8.250 nan 0.000 0.475 202 T N -1.856 112.723 114.554 0.041 0.000 2.828 202 T HA 0.226 4.576 4.350 -0.000 0.000 0.290 202 T C 1.813 176.565 174.700 0.087 0.000 1.019 202 T CA -0.571 61.564 62.100 0.059 0.000 1.031 202 T CB 0.424 69.332 68.868 0.068 0.000 1.001 202 T HN 0.457 nan 8.240 nan 0.000 0.531 203 I N 0.153 120.779 120.570 0.094 0.000 2.226 203 I HA -0.137 4.032 4.170 -0.000 0.000 0.245 203 I C 2.606 178.813 176.117 0.150 0.000 1.100 203 I CA 1.802 63.157 61.300 0.092 0.000 1.374 203 I CB -0.680 37.369 38.000 0.082 0.000 1.057 203 I HN 0.877 nan 8.210 nan 0.000 0.413 204 H N 1.341 120.484 119.070 0.122 0.000 2.265 204 H HA -0.250 4.306 4.556 -0.000 0.000 0.293 204 H C 2.190 177.661 175.328 0.237 0.000 1.089 204 H CA 2.415 58.591 56.048 0.213 0.000 1.244 204 H CB 0.039 29.838 29.762 0.062 0.000 1.355 204 H HN 0.294 nan 8.280 nan 0.000 0.485 205 E N -0.010 120.384 120.200 0.323 0.000 2.097 205 E HA -0.204 4.145 4.350 -0.000 0.000 0.196 205 E C 2.462 179.148 176.600 0.145 0.000 1.000 205 E CA 1.364 57.897 56.400 0.223 0.000 0.804 205 E CB -0.105 29.672 29.700 0.127 0.000 0.740 205 E HN 0.493 nan 8.360 nan 0.000 0.454 206 L N 0.228 121.510 121.223 0.098 0.000 2.017 206 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 206 L C 2.470 179.356 176.870 0.026 0.000 1.073 206 L CA 0.863 55.730 54.840 0.045 0.000 0.745 206 L CB -0.360 41.708 42.059 0.016 0.000 0.894 206 L HN 0.057 nan 8.230 nan 0.000 0.432 207 V N -0.838 119.076 119.914 -0.000 0.000 2.283 207 V HA -0.252 3.868 4.120 -0.000 0.000 0.243 207 V C 2.200 178.162 176.094 -0.220 0.000 1.039 207 V CA 1.814 64.026 62.300 -0.146 0.000 1.016 207 V CB -0.528 31.142 31.823 -0.255 0.000 0.650 207 V HN 0.199 nan 8.190 nan 0.000 0.449 208 F N 1.217 121.072 119.950 -0.158 0.000 2.171 208 F HA -0.029 4.498 4.527 -0.000 0.000 0.300 208 F C 2.423 178.202 175.800 -0.035 0.000 1.090 208 F CA 1.528 59.447 58.000 -0.134 0.000 1.293 208 F CB -1.174 37.675 39.000 -0.252 0.000 1.013 208 F HN 0.208 nan 8.300 nan 0.000 0.486 209 G N -1.208 107.682 108.800 0.149 0.000 2.446 209 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 209 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 209 G C 1.877 176.823 174.900 0.077 0.000 1.168 209 G CA 1.177 46.336 45.100 0.099 0.000 0.771 209 G HN 0.374 nan 8.290 nan 0.000 0.551 210 S N -0.494 115.252 115.700 0.077 0.000 2.368 210 S HA -0.095 4.374 4.470 -0.000 0.000 0.225 210 S C 2.516 177.253 174.600 0.227 0.000 1.030 210 S CA 1.484 59.766 58.200 0.137 0.000 0.999 210 S CB -0.247 63.052 63.200 0.166 0.000 0.844 210 S HN 0.132 nan 8.310 nan 0.000 0.459 211 V N 1.940 121.935 119.914 0.135 0.000 2.427 211 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 211 V C 2.587 178.661 176.094 -0.033 0.000 1.051 211 V CA 1.709 64.039 62.300 0.049 0.000 1.048 211 V CB -0.694 31.077 31.823 -0.087 0.000 0.666 211 V HN 0.411 nan 8.190 nan 0.000 0.456 212 R N -0.129 120.378 120.500 0.012 0.000 2.081 212 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 212 R C 2.570 178.859 176.300 -0.018 0.000 1.131 212 R CA 1.469 57.574 56.100 0.007 0.000 0.960 212 R CB -0.341 29.987 30.300 0.047 0.000 0.856 212 R HN 0.461 nan 8.270 nan 0.000 0.436 213 R N 0.350 120.857 120.500 0.011 0.000 2.083 213 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 213 R C 2.284 178.515 176.300 -0.115 0.000 1.137 213 R CA 1.337 57.444 56.100 0.012 0.000 0.951 213 R CB -0.462 29.916 30.300 0.129 0.000 0.851 213 R HN 0.112 nan 8.270 nan 0.000 0.434 214 L N 0.459 121.513 121.223 -0.282 0.000 2.093 214 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 214 L C 2.101 178.749 176.870 -0.369 0.000 1.085 214 L CA 1.797 56.251 54.840 -0.643 0.000 0.755 214 L CB -0.453 40.971 42.059 -1.058 0.000 0.904 214 L HN 0.134 nan 8.230 nan 0.000 0.435 215 A N -1.405 121.280 122.820 -0.225 0.000 2.067 215 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 215 A C 2.217 179.751 177.584 -0.083 0.000 1.158 215 A CA 1.338 53.295 52.037 -0.134 0.000 0.661 215 A CB -0.893 18.059 19.000 -0.080 0.000 0.801 215 A HN 0.295 nan 8.150 nan 0.000 0.452 216 V N 0.066 119.930 119.914 -0.083 0.000 2.278 216 V HA -0.332 3.788 4.120 -0.000 0.000 0.251 216 V C 2.637 178.701 176.094 -0.050 0.000 1.062 216 V CA 2.546 64.812 62.300 -0.055 0.000 1.038 216 V CB -0.711 31.082 31.823 -0.051 0.000 0.646 216 V HN 0.583 nan 8.190 nan 0.000 0.447 217 R N -0.606 119.849 120.500 -0.075 0.000 2.161 217 R HA 0.030 4.370 4.340 -0.000 0.000 0.213 217 R C 0.843 177.143 176.300 0.000 0.000 1.055 217 R CA 0.476 56.553 56.100 -0.037 0.000 0.996 217 R CB 0.176 30.448 30.300 -0.045 0.000 0.901 217 R HN 0.314 nan 8.270 nan 0.000 0.456 218 E N 0.293 120.478 120.200 -0.024 0.000 2.795 218 E HA 0.182 4.532 4.350 -0.000 0.000 0.226 218 E C -2.237 174.368 176.600 0.009 0.000 1.088 218 E CA -2.712 53.712 56.400 0.039 0.000 0.812 218 E CB 1.203 30.994 29.700 0.151 0.000 1.328 218 E HN -0.122 nan 8.360 nan 0.000 0.410 219 P HA -0.064 nan 4.420 nan 0.000 0.222 219 P C 0.736 178.047 177.300 0.019 0.000 1.147 219 P CA 0.743 63.847 63.100 0.007 0.000 0.790 219 P CB 0.278 31.984 31.700 0.010 0.000 0.780 220 R N 0.094 120.618 120.500 0.040 0.000 2.235 220 R HA 0.036 4.376 4.340 -0.000 0.000 0.213 220 R C 2.167 178.497 176.300 0.050 0.000 1.059 220 R CA 0.872 57.002 56.100 0.049 0.000 0.997 220 R CB -0.778 29.560 30.300 0.063 0.000 0.884 220 R HN 0.351 nan 8.270 nan 0.000 0.462 221 I N -1.850 118.743 120.570 0.039 0.000 3.291 221 I HA -0.062 4.108 4.170 -0.000 0.000 0.279 221 I C 1.640 177.759 176.117 0.002 0.000 1.294 221 I CA 0.573 61.884 61.300 0.019 0.000 1.428 221 I CB -0.070 37.913 38.000 -0.028 0.000 1.070 221 I HN 0.020 nan 8.210 nan 0.000 0.478 222 L N 2.356 123.582 121.223 0.005 0.000 2.005 222 L HA 0.111 4.451 4.340 -0.000 0.000 0.207 222 L C -0.384 176.500 176.870 0.022 0.000 1.072 222 L CA 2.122 56.968 54.840 0.009 0.000 0.744 222 L CB -1.725 40.338 42.059 0.007 0.000 0.895 222 L HN 0.104 nan 8.230 nan 0.000 0.433 223 P HA -0.127 nan 4.420 nan 0.000 0.215 223 P C -1.440 175.876 177.300 0.026 0.000 1.157 223 P CA 2.176 65.290 63.100 0.023 0.000 0.874 223 P CB -1.192 30.521 31.700 0.022 0.000 0.790 224 P HA -0.103 nan 4.420 nan 0.000 0.221 224 P C 1.695 179.014 177.300 0.033 0.000 1.150 224 P CA 0.971 64.086 63.100 0.025 0.000 0.800 224 P CB -0.300 31.416 31.700 0.026 0.000 0.787 225 L N 0.375 121.621 121.223 0.038 0.000 2.046 225 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 225 L C 2.036 178.988 176.870 0.136 0.000 1.077 225 L CA 1.906 56.796 54.840 0.084 0.000 0.747 225 L CB -1.235 40.854 42.059 0.050 0.000 0.896 225 L HN -0.169 nan 8.230 nan 0.000 0.432 226 N N -0.633 118.114 118.700 0.079 0.000 2.142 226 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 226 N C 1.866 177.401 175.510 0.042 0.000 1.023 226 N CA 1.877 54.962 53.050 0.058 0.000 0.852 226 N CB -0.360 38.148 38.487 0.035 0.000 0.998 226 N HN 0.457 nan 8.380 nan 0.000 0.424 227 M N 0.161 119.781 119.600 0.034 0.000 2.086 227 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 227 M C 1.938 178.254 176.300 0.026 0.000 1.067 227 M CA 1.233 56.545 55.300 0.019 0.000 1.116 227 M CB -0.059 32.541 32.600 0.001 0.000 1.348 227 M HN 0.089 nan 8.290 nan 0.000 0.407 228 L N 0.748 121.990 121.223 0.032 0.000 2.012 228 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 228 L C 2.146 179.046 176.870 0.050 0.000 1.073 228 L CA 2.259 57.111 54.840 0.021 0.000 0.748 228 L CB -0.886 41.211 42.059 0.063 0.000 0.891 228 L HN 0.449 nan 8.230 nan 0.000 0.431 229 E N -0.907 119.319 120.200 0.043 0.000 2.106 229 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 229 E C 2.082 178.602 176.600 -0.133 0.000 0.984 229 E CA 1.282 57.565 56.400 -0.196 0.000 0.806 229 E CB 0.009 29.548 29.700 -0.268 0.000 0.750 229 E HN 0.694 nan 8.360 nan 0.000 0.458 230 E N 0.444 120.615 120.200 -0.048 0.000 2.072 230 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 230 E C 1.631 178.216 176.600 -0.025 0.000 0.985 230 E CA 1.358 57.735 56.400 -0.039 0.000 0.801 230 E CB -1.138 28.559 29.700 -0.006 0.000 0.750 230 E HN 0.525 nan 8.360 nan 0.000 0.452 231 Y N 0.864 121.099 120.300 -0.109 0.000 2.081 231 Y HA -0.179 4.371 4.550 -0.000 0.000 0.280 231 Y C 2.235 178.064 175.900 -0.118 0.000 1.163 231 Y CA 2.092 60.121 58.100 -0.118 0.000 1.135 231 Y CB -0.426 37.934 38.460 -0.166 0.000 0.970 231 Y HN 0.222 nan 8.280 nan 0.000 0.498 232 I N 0.346 120.661 120.570 -0.425 0.000 2.179 232 I HA -0.327 3.843 4.170 -0.000 0.000 0.242 232 I C 2.820 178.725 176.117 -0.354 0.000 1.088 232 I CA 1.833 62.854 61.300 -0.465 0.000 1.357 232 I CB -0.546 37.322 38.000 -0.220 0.000 1.051 232 I HN 0.192 nan 8.210 nan 0.000 0.409 233 R N 1.178 121.514 120.500 -0.274 0.000 2.091 233 R HA -0.221 4.119 4.340 -0.000 0.000 0.238 233 R C 2.366 178.549 176.300 -0.196 0.000 1.136 233 R CA 2.077 58.034 56.100 -0.239 0.000 0.959 233 R CB -0.435 29.748 30.300 -0.195 0.000 0.856 233 R HN 0.428 nan 8.270 nan 0.000 0.437 234 S N -0.024 115.568 115.700 -0.180 0.000 2.493 234 S HA -0.101 4.369 4.470 -0.000 0.000 0.243 234 S C 1.610 176.119 174.600 -0.152 0.000 0.991 234 S CA 0.872 58.993 58.200 -0.132 0.000 0.957 234 S CB -0.225 62.930 63.200 -0.075 0.000 0.756 234 S HN 0.464 nan 8.310 nan 0.000 0.521 235 R N 0.539 120.905 120.500 -0.223 0.000 2.300 235 R HA 0.324 4.664 4.340 -0.000 0.000 0.199 235 R C 1.348 177.570 176.300 -0.130 0.000 0.920 235 R CA 0.374 56.361 56.100 -0.189 0.000 1.046 235 R CB -0.115 30.025 30.300 -0.265 0.000 0.984 235 R HN 0.552 nan 8.270 nan 0.000 0.493 236 G N 0.390 109.109 108.800 -0.135 0.000 2.828 236 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.463 236 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.463 236 G C 0.487 175.325 174.900 -0.103 0.000 1.394 236 G CA -0.081 44.955 45.100 -0.106 0.000 0.862 236 G HN 0.261 nan 8.290 nan 0.000 0.540 237 S N -1.113 114.536 115.700 -0.084 0.000 2.515 237 S HA 0.074 4.544 4.470 -0.000 0.000 0.231 237 S C 1.360 175.931 174.600 -0.049 0.000 0.987 237 S CA 1.554 59.710 58.200 -0.074 0.000 0.936 237 S CB 0.068 63.230 63.200 -0.064 0.000 0.766 237 S HN 0.726 nan 8.310 nan 0.000 0.528 238 K N 1.661 122.036 120.400 -0.042 0.000 2.498 238 K HA 0.300 4.620 4.320 -0.000 0.000 0.207 238 K C 0.153 176.741 176.600 -0.019 0.000 1.033 238 K CA -0.181 56.092 56.287 -0.022 0.000 1.138 238 K CB 0.650 33.140 32.500 -0.017 0.000 0.860 238 K HN 0.238 nan 8.250 nan 0.000 0.490 239 S N 1.474 117.153 115.700 -0.035 0.000 2.558 239 S HA -0.055 4.415 4.470 -0.000 0.000 0.293 239 S C 1.413 176.014 174.600 0.002 0.000 1.292 239 S CA 0.079 58.260 58.200 -0.032 0.000 1.063 239 S CB 0.561 63.722 63.200 -0.064 0.000 0.831 239 S HN 0.498 nan 8.310 nan 0.000 0.499 240 T N 2.122 116.684 114.554 0.013 0.000 3.148 240 T HA 0.396 4.746 4.350 -0.000 0.000 0.253 240 T C 0.396 175.125 174.700 0.049 0.000 1.134 240 T CA 0.234 62.354 62.100 0.032 0.000 1.051 240 T CB -0.081 68.806 68.868 0.030 0.000 0.959 240 T HN 0.696 nan 8.240 nan 0.000 0.525 241 A N 1.510 124.360 122.820 0.050 0.000 2.317 241 A HA 0.752 5.071 4.320 -0.000 0.000 0.327 241 A C 0.134 177.768 177.584 0.084 0.000 1.178 241 A CA -0.693 51.394 52.037 0.084 0.000 0.817 241 A CB 1.158 20.221 19.000 0.106 0.000 1.189 241 A HN 0.645 nan 8.150 nan 0.000 0.489 242 S N 1.531 117.306 115.700 0.126 0.000 2.556 242 S HA 0.774 5.244 4.470 -0.000 0.000 0.271 242 S C -3.374 171.334 174.600 0.180 0.000 1.135 242 S CA -1.557 56.728 58.200 0.141 0.000 0.858 242 S CB 1.565 64.844 63.200 0.132 0.000 1.114 242 S HN 0.335 nan 8.310 nan 0.000 0.468 243 P HA 0.333 nan 4.420 nan 0.000 0.267 243 P C 0.098 177.482 177.300 0.139 0.000 1.205 243 P CA -0.269 62.948 63.100 0.195 0.000 0.765 243 P CB 0.608 32.444 31.700 0.226 0.000 0.828 244 R N 3.420 123.984 120.500 0.107 0.000 2.194 244 R HA 0.284 4.624 4.340 -0.000 0.000 0.194 244 R C 0.312 176.552 176.300 -0.100 0.000 0.985 244 R CA 0.413 56.547 56.100 0.057 0.000 1.104 244 R CB 0.178 30.532 30.300 0.091 0.000 1.092 244 R HN 0.491 nan 8.270 nan 0.000 0.555 245 L N -2.617 118.493 121.223 -0.188 0.000 2.765 245 L HA 0.701 5.041 4.340 -0.000 0.000 0.263 245 L C -1.585 175.151 176.870 -0.223 0.000 1.068 245 L CA -1.195 53.380 54.840 -0.443 0.000 0.903 245 L CB 2.171 43.581 42.059 -1.082 0.000 1.512 245 L HN -0.277 nan 8.230 nan 0.000 0.404 246 V N 0.207 119.943 119.914 -0.297 0.000 2.925 246 V HA 0.785 4.904 4.120 -0.000 0.000 0.311 246 V C -0.524 175.438 176.094 -0.220 0.000 1.104 246 V CA -0.279 61.895 62.300 -0.209 0.000 0.954 246 V CB 1.806 33.359 31.823 -0.450 0.000 1.022 246 V HN 0.907 nan 8.190 nan 0.000 0.427 247 S N 1.928 117.581 115.700 -0.079 0.000 2.568 247 S HA 0.868 5.338 4.470 -0.000 0.000 0.293 247 S C -0.599 173.892 174.600 -0.182 0.000 1.089 247 S CA -0.275 57.812 58.200 -0.189 0.000 0.945 247 S CB 1.479 64.626 63.200 -0.088 0.000 1.077 247 S HN 1.428 nan 8.310 nan 0.000 0.485 248 C N 1.812 121.031 119.300 -0.136 0.000 3.171 248 C HA 0.726 5.186 4.460 -0.000 0.000 0.308 248 C C -0.940 174.075 174.990 0.041 0.000 1.334 248 C CA -1.008 58.036 59.018 0.045 0.000 1.473 248 C CB 0.753 28.669 27.740 0.294 0.000 1.866 248 C HN 0.777 nan 8.230 nan 0.000 0.465 249 D N 1.331 121.777 120.400 0.077 0.000 2.345 249 D HA 0.328 4.967 4.640 -0.000 0.000 0.247 249 D C -0.306 176.029 176.300 0.059 0.000 1.108 249 D CA 0.072 54.093 54.000 0.034 0.000 0.894 249 D CB 1.106 41.913 40.800 0.011 0.000 1.203 249 D HN 0.456 nan 8.370 nan 0.000 0.430 250 L N 2.355 123.598 121.223 0.032 0.000 2.466 250 L HA 0.207 4.546 4.340 -0.000 0.000 0.248 250 L C 0.657 177.510 176.870 -0.029 0.000 1.240 250 L CA 0.320 55.178 54.840 0.030 0.000 1.180 250 L CB -0.219 41.838 42.059 -0.004 0.000 1.413 250 L HN 0.283 nan 8.230 nan 0.000 0.406 251 T N -1.116 113.390 114.554 -0.079 0.000 2.778 251 T HA 0.486 4.836 4.350 -0.000 0.000 0.293 251 T C -0.401 174.168 174.700 -0.219 0.000 1.144 251 T CA -0.375 61.652 62.100 -0.121 0.000 1.010 251 T CB 1.279 70.087 68.868 -0.100 0.000 1.325 251 T HN 0.310 nan 8.240 nan 0.000 0.515 252 S N 2.212 117.789 115.700 -0.205 0.000 2.552 252 S HA 0.152 4.622 4.470 -0.000 0.000 0.289 252 S C -1.843 172.486 174.600 -0.452 0.000 1.304 252 S CA -0.500 57.541 58.200 -0.265 0.000 1.063 252 S CB 0.381 63.478 63.200 -0.172 0.000 0.848 252 S HN 0.524 nan 8.310 nan 0.000 0.499 253 P HA -0.188 nan 4.420 nan 0.000 0.216 253 P C 1.593 178.547 177.300 -0.576 0.000 1.154 253 P CA 2.195 64.624 63.100 -1.118 0.000 0.865 253 P CB -0.227 31.076 31.700 -0.661 0.000 0.789 254 A N -0.535 122.122 122.820 -0.272 0.000 2.019 254 A HA -0.174 4.145 4.320 -0.000 0.000 0.219 254 A C 1.844 179.363 177.584 -0.109 0.000 1.164 254 A CA 1.468 53.433 52.037 -0.121 0.000 0.644 254 A CB -0.668 18.288 19.000 -0.073 0.000 0.805 254 A HN 0.164 nan 8.150 nan 0.000 0.449 255 K N -0.222 120.080 120.400 -0.163 0.000 2.367 255 K HA 0.140 4.460 4.320 -0.000 0.000 0.194 255 K C 0.447 176.986 176.600 -0.102 0.000 1.027 255 K CA 0.206 56.431 56.287 -0.104 0.000 1.075 255 K CB 0.115 32.557 32.500 -0.095 0.000 0.845 255 K HN 0.283 nan 8.250 nan 0.000 0.529 256 S N 1.530 117.102 115.700 -0.214 0.000 2.499 256 S HA 0.289 4.759 4.470 -0.000 0.000 0.279 256 S C -0.205 174.454 174.600 0.097 0.000 1.219 256 S CA -0.641 57.465 58.200 -0.157 0.000 1.062 256 S CB 0.656 63.582 63.200 -0.457 0.000 0.978 256 S HN 0.106 nan 8.310 nan 0.000 0.489 257 R N 3.457 124.030 120.500 0.121 0.000 2.410 257 R HA 0.502 4.842 4.340 -0.000 0.000 0.288 257 R C -0.637 175.763 176.300 0.167 0.000 1.051 257 R CA -0.338 55.825 56.100 0.105 0.000 1.021 257 R CB 0.851 31.144 30.300 -0.012 0.000 1.032 257 R HN 0.579 nan 8.270 nan 0.000 0.481 258 I N 2.575 123.204 120.570 0.098 0.000 2.378 258 I HA 0.258 4.428 4.170 -0.000 0.000 0.291 258 I C -0.260 175.787 176.117 -0.117 0.000 0.992 258 I CA -0.505 60.789 61.300 -0.009 0.000 1.154 258 I CB 1.529 39.494 38.000 -0.059 0.000 1.315 258 I HN 0.324 nan 8.210 nan 0.000 0.448 259 K N 7.366 127.688 120.400 -0.131 0.000 2.358 259 K HA 0.621 4.940 4.320 -0.000 0.000 0.260 259 K C -1.045 175.467 176.600 -0.146 0.000 0.956 259 K CA -0.521 55.665 56.287 -0.168 0.000 0.834 259 K CB 2.244 34.647 32.500 -0.162 0.000 1.102 259 K HN 0.457 nan 8.250 nan 0.000 0.431 260 I N 3.413 123.888 120.570 -0.160 0.000 2.336 260 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 260 I C -0.741 175.378 176.117 0.003 0.000 0.991 260 I CA -0.849 60.408 61.300 -0.071 0.000 1.227 260 I CB 0.704 38.605 38.000 -0.165 0.000 1.366 260 I HN 0.462 nan 8.210 nan 0.000 0.466 261 Y N 6.300 126.598 120.300 -0.004 0.000 2.330 261 Y HA 0.544 5.094 4.550 -0.000 0.000 0.336 261 Y C -0.167 175.798 175.900 0.108 0.000 1.036 261 Y CA -0.764 57.356 58.100 0.033 0.000 1.125 261 Y CB 1.291 39.697 38.460 -0.091 0.000 1.194 261 Y HN 0.275 nan 8.280 nan 0.000 0.469 262 L N 4.709 126.118 121.223 0.311 0.000 2.317 262 L HA 0.436 4.776 4.340 -0.000 0.000 0.281 262 L C -0.794 176.210 176.870 0.223 0.000 1.024 262 L CA -1.052 53.960 54.840 0.286 0.000 0.810 262 L CB 1.533 43.812 42.059 0.367 0.000 1.240 262 L HN 0.458 nan 8.230 nan 0.000 0.427 263 L N 2.927 124.257 121.223 0.177 0.000 2.305 263 L HA 0.331 4.670 4.340 -0.000 0.000 0.281 263 L C -0.187 176.752 176.870 0.114 0.000 1.085 263 L CA 0.124 55.042 54.840 0.130 0.000 0.813 263 L CB 1.045 43.167 42.059 0.105 0.000 1.157 263 L HN 0.530 nan 8.230 nan 0.000 0.436 264 E N 2.978 123.238 120.200 0.101 0.000 2.149 264 E HA 0.237 4.587 4.350 -0.000 0.000 0.255 264 E C 0.109 176.737 176.600 0.047 0.000 0.888 264 E CA -0.020 56.435 56.400 0.093 0.000 0.742 264 E CB 1.128 30.904 29.700 0.127 0.000 1.164 264 E HN 0.694 nan 8.360 nan 0.000 0.422 265 Q N 2.419 122.227 119.800 0.012 0.000 2.291 265 Q HA -0.016 4.324 4.340 -0.000 0.000 0.205 265 Q C 0.299 176.310 176.000 0.018 0.000 0.970 265 Q CA 0.589 56.379 55.803 -0.023 0.000 0.876 265 Q CB 0.008 28.718 28.738 -0.047 0.000 0.935 265 Q HN 0.449 nan 8.270 nan 0.000 0.455 266 M N 1.202 120.826 119.600 0.041 0.000 2.135 266 M HA 0.120 4.600 4.480 -0.000 0.000 0.345 266 M C -1.167 175.182 176.300 0.081 0.000 1.340 266 M CA -0.278 55.053 55.300 0.051 0.000 1.162 266 M CB 0.811 33.435 32.600 0.040 0.000 1.570 266 M HN -0.297 nan 8.290 nan 0.000 0.454 267 V N 6.014 125.993 119.914 0.110 0.000 2.338 267 V HA 0.511 4.631 4.120 -0.000 0.000 0.255 267 V C -0.057 176.201 176.094 0.274 0.000 1.082 267 V CA 0.052 62.474 62.300 0.202 0.000 0.951 267 V CB -0.899 31.034 31.823 0.182 0.000 1.102 267 V HN 0.986 nan 8.190 nan 0.000 0.489 268 S N 3.879 119.684 115.700 0.175 0.000 2.596 268 S HA 0.516 4.986 4.470 -0.000 0.000 0.270 268 S C 0.061 174.218 174.600 -0.738 0.000 1.155 268 S CA -0.737 57.426 58.200 -0.061 0.000 0.827 268 S CB 1.857 65.027 63.200 -0.051 0.000 1.130 268 S HN 0.285 nan 8.310 nan 0.000 0.467 269 L N 1.531 121.935 121.223 -1.364 0.000 2.046 269 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 269 L C 2.474 178.982 176.870 -0.604 0.000 1.077 269 L CA 2.483 56.448 54.840 -1.458 0.000 0.747 269 L CB -1.058 40.173 42.059 -1.380 0.000 0.896 269 L HN 1.035 nan 8.230 nan 0.000 0.432 270 E N -0.516 119.455 120.200 -0.382 0.000 2.049 270 E HA -0.290 4.060 4.350 -0.000 0.000 0.198 270 E C 2.073 178.603 176.600 -0.117 0.000 1.007 270 E CA 1.465 57.754 56.400 -0.185 0.000 0.809 270 E CB -0.218 29.412 29.700 -0.117 0.000 0.749 270 E HN 0.611 nan 8.360 nan 0.000 0.450 271 A N 0.938 123.691 122.820 -0.111 0.000 1.908 271 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 271 A C 2.215 179.794 177.584 -0.008 0.000 1.181 271 A CA 1.865 53.887 52.037 -0.024 0.000 0.627 271 A CB -0.600 18.398 19.000 -0.002 0.000 0.818 271 A HN 0.439 nan 8.150 nan 0.000 0.445 272 M N -0.697 118.836 119.600 -0.112 0.000 2.175 272 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 272 M C 1.973 178.283 176.300 0.016 0.000 1.063 272 M CA 1.714 56.970 55.300 -0.073 0.000 1.119 272 M CB -0.184 32.299 32.600 -0.195 0.000 1.377 272 M HN 0.527 nan 8.290 nan 0.000 0.415 273 E N -0.222 119.954 120.200 -0.040 0.000 2.077 273 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 273 E C 1.507 178.192 176.600 0.142 0.000 0.989 273 E CA 1.635 58.069 56.400 0.056 0.000 0.800 273 E CB -0.253 29.431 29.700 -0.028 0.000 0.746 273 E HN 0.597 nan 8.360 nan 0.000 0.452 274 D N 0.565 121.026 120.400 0.103 0.000 2.144 274 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 274 D C 1.940 178.341 176.300 0.169 0.000 0.984 274 D CA 0.799 54.881 54.000 0.137 0.000 0.834 274 D CB 0.078 40.975 40.800 0.163 0.000 0.955 274 D HN 0.045 nan 8.370 nan 0.000 0.465 275 L N -0.343 121.029 121.223 0.247 0.000 2.056 275 L HA -0.086 4.253 4.340 -0.000 0.000 0.207 275 L C 2.368 179.407 176.870 0.282 0.000 1.078 275 L CA 0.734 55.788 54.840 0.357 0.000 0.749 275 L CB -0.562 41.712 42.059 0.358 0.000 0.901 275 L HN 0.376 nan 8.230 nan 0.000 0.433 276 W N 1.306 122.639 121.300 0.056 0.000 2.338 276 W HA -0.238 4.421 4.660 -0.000 0.000 0.304 276 W C 2.041 178.579 176.519 0.031 0.000 1.212 276 W CA 2.158 59.527 57.345 0.040 0.000 1.264 276 W CB -0.042 29.435 29.460 0.029 0.000 1.142 276 W HN 0.308 nan 8.180 nan 0.000 0.512 277 T N -1.009 113.577 114.554 0.054 0.000 3.145 277 T HA 0.174 4.524 4.350 -0.000 0.000 0.255 277 T C 0.819 175.398 174.700 -0.202 0.000 1.039 277 T CA -0.079 61.984 62.100 -0.061 0.000 0.928 277 T CB -0.541 68.357 68.868 0.051 0.000 1.029 277 T HN 0.019 nan 8.240 nan 0.000 0.554 278 L N 1.320 122.308 121.223 -0.392 0.000 3.879 278 L HA -0.116 4.223 4.340 -0.000 0.000 0.481 278 L C 1.236 177.694 176.870 -0.685 0.000 1.232 278 L CA 0.745 54.965 54.840 -1.033 0.000 0.736 278 L CB -2.119 39.481 42.059 -0.765 0.000 1.511 278 L HN 0.725 nan 8.230 nan 0.000 0.830 279 G N -0.677 107.961 108.800 -0.270 0.000 2.295 279 G HA2 0.133 4.093 3.960 -0.000 0.000 0.287 279 G HA3 0.133 4.093 3.960 -0.000 0.000 0.287 279 G C 1.265 176.186 174.900 0.035 0.000 1.055 279 G CA 0.675 45.838 45.100 0.106 0.000 0.922 279 G HN 2.023 nan 8.290 nan 0.000 0.503 280 G N -1.342 107.453 108.800 -0.009 0.000 2.179 280 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 280 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 280 G C 1.152 176.045 174.900 -0.011 0.000 0.977 280 G CA 1.159 46.262 45.100 0.005 0.000 0.641 280 G HN 0.963 nan 8.290 nan 0.000 0.533 281 R N -0.200 120.275 120.500 -0.043 0.000 2.148 281 R HA 0.101 4.441 4.340 -0.000 0.000 0.223 281 R C 1.243 177.516 176.300 -0.045 0.000 1.088 281 R CA 0.710 56.784 56.100 -0.043 0.000 0.985 281 R CB 0.014 30.277 30.300 -0.063 0.000 0.880 281 R HN 0.310 nan 8.270 nan 0.000 0.451 282 R N 1.411 121.874 120.500 -0.062 0.000 2.229 282 R HA 0.212 4.552 4.340 -0.000 0.000 0.332 282 R C 0.317 176.616 176.300 -0.001 0.000 0.989 282 R CA -0.170 55.901 56.100 -0.047 0.000 0.842 282 R CB 1.091 31.329 30.300 -0.103 0.000 1.119 282 R HN 0.232 nan 8.270 nan 0.000 0.456 283 R N 0.554 121.064 120.500 0.016 0.000 2.518 283 R HA 0.070 4.410 4.340 -0.000 0.000 0.419 283 R C -0.465 175.862 176.300 0.046 0.000 0.902 283 R CA -0.471 55.652 56.100 0.038 0.000 1.146 283 R CB 0.219 30.536 30.300 0.029 0.000 1.652 283 R HN 0.534 nan 8.270 nan 0.000 0.555 284 D N 1.115 121.542 120.400 0.045 0.000 2.362 284 D HA 0.033 4.673 4.640 -0.000 0.000 0.238 284 D C 0.935 177.285 176.300 0.082 0.000 1.212 284 D CA 0.271 54.303 54.000 0.054 0.000 0.902 284 D CB 1.031 41.860 40.800 0.048 0.000 1.180 284 D HN 0.036 nan 8.370 nan 0.000 0.445 285 A N 1.183 124.053 122.820 0.084 0.000 1.933 285 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 285 A C 2.304 179.979 177.584 0.152 0.000 1.175 285 A CA 1.978 54.075 52.037 0.100 0.000 0.628 285 A CB -0.718 18.334 19.000 0.086 0.000 0.814 285 A HN 0.600 nan 8.150 nan 0.000 0.444 286 S N -1.091 114.720 115.700 0.185 0.000 2.355 286 S HA -0.130 4.340 4.470 -0.000 0.000 0.222 286 S C 2.106 176.925 174.600 0.365 0.000 1.031 286 S CA 2.065 60.455 58.200 0.317 0.000 0.993 286 S CB -0.625 62.730 63.200 0.257 0.000 0.859 286 S HN 0.610 nan 8.310 nan 0.000 0.453 287 T N 3.305 118.013 114.554 0.257 0.000 2.624 287 T HA -0.114 4.235 4.350 -0.000 0.000 0.268 287 T C 1.708 176.641 174.700 0.388 0.000 1.041 287 T CA 1.817 64.092 62.100 0.293 0.000 1.159 287 T CB -0.561 68.376 68.868 0.116 0.000 0.863 287 T HN 0.349 nan 8.240 nan 0.000 0.434 288 L N 0.455 121.809 121.223 0.218 0.000 2.046 288 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 288 L C 2.685 179.590 176.870 0.058 0.000 1.077 288 L CA 1.468 56.392 54.840 0.141 0.000 0.747 288 L CB -0.686 41.426 42.059 0.089 0.000 0.896 288 L HN 0.346 nan 8.230 nan 0.000 0.432 289 E N 0.336 120.553 120.200 0.029 0.000 2.085 289 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 289 E C 2.234 178.593 176.600 -0.402 0.000 0.994 289 E CA 1.167 57.488 56.400 -0.132 0.000 0.801 289 E CB -0.302 29.366 29.700 -0.053 0.000 0.743 289 E HN 0.555 nan 8.360 nan 0.000 0.453 290 G N 1.116 109.672 108.800 -0.407 0.000 2.402 290 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 290 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 290 G C 1.518 176.220 174.900 -0.329 0.000 1.162 290 G CA 0.415 45.367 45.100 -0.246 0.000 0.777 290 G HN 0.139 nan 8.290 nan 0.000 0.539 291 L N 1.353 122.453 121.223 -0.205 0.000 2.043 291 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 291 L C 2.870 179.549 176.870 -0.319 0.000 1.075 291 L CA 2.253 56.845 54.840 -0.414 0.000 0.752 291 L CB -0.833 41.194 42.059 -0.053 0.000 0.891 291 L HN 0.177 nan 8.230 nan 0.000 0.432 292 S N -0.591 114.985 115.700 -0.207 0.000 2.365 292 S HA -0.205 4.265 4.470 -0.000 0.000 0.225 292 S C 1.914 176.394 174.600 -0.200 0.000 1.039 292 S CA 1.886 59.987 58.200 -0.165 0.000 1.033 292 S CB -0.447 62.679 63.200 -0.124 0.000 0.887 292 S HN 0.486 nan 8.310 nan 0.000 0.447 293 L N 0.766 121.830 121.223 -0.266 0.000 2.056 293 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 293 L C 2.344 178.904 176.870 -0.516 0.000 1.078 293 L CA 0.742 55.405 54.840 -0.296 0.000 0.749 293 L CB -0.714 41.208 42.059 -0.229 0.000 0.901 293 L HN 0.177 nan 8.230 nan 0.000 0.433 294 V N 0.088 119.588 119.914 -0.691 0.000 2.252 294 V HA -0.364 3.756 4.120 -0.000 0.000 0.249 294 V C 2.657 178.671 176.094 -0.133 0.000 1.056 294 V CA 2.067 64.076 62.300 -0.484 0.000 1.022 294 V CB -0.649 30.794 31.823 -0.634 0.000 0.641 294 V HN 0.417 nan 8.190 nan 0.000 0.445 295 R N -0.375 120.032 120.500 -0.156 0.000 2.091 295 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 295 R C 2.419 178.730 176.300 0.017 0.000 1.136 295 R CA 1.873 57.955 56.100 -0.030 0.000 0.959 295 R CB -0.373 29.882 30.300 -0.075 0.000 0.856 295 R HN 0.674 nan 8.270 nan 0.000 0.437 296 E N 0.888 121.050 120.200 -0.063 0.000 2.051 296 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 296 E C 1.934 178.474 176.600 -0.100 0.000 0.991 296 E CA 1.039 57.412 56.400 -0.046 0.000 0.799 296 E CB -0.011 29.676 29.700 -0.022 0.000 0.748 296 E HN 0.256 nan 8.360 nan 0.000 0.449 297 L N 0.412 121.481 121.223 -0.256 0.000 1.989 297 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 297 L C 2.561 179.129 176.870 -0.502 0.000 1.071 297 L CA 1.502 55.974 54.840 -0.614 0.000 0.749 297 L CB -0.711 40.685 42.059 -1.106 0.000 0.890 297 L HN 0.485 nan 8.230 nan 0.000 0.431 298 W N 1.596 122.731 121.300 -0.275 0.000 2.304 298 W HA -0.296 4.364 4.660 -0.000 0.000 0.315 298 W C 2.058 178.519 176.519 -0.096 0.000 1.233 298 W CA 2.267 59.608 57.345 -0.007 0.000 1.261 298 W CB -0.250 29.272 29.460 0.104 0.000 1.150 298 W HN 0.311 nan 8.180 nan 0.000 0.494 299 D N 0.252 120.698 120.400 0.077 0.000 2.144 299 D HA -0.129 4.510 4.640 -0.000 0.000 0.200 299 D C 2.329 178.547 176.300 -0.137 0.000 0.978 299 D CA 1.451 55.456 54.000 0.009 0.000 0.833 299 D CB -0.704 40.119 40.800 0.039 0.000 0.961 299 D HN 0.243 nan 8.370 nan 0.000 0.470 300 L N 0.047 121.153 121.223 -0.194 0.000 2.095 300 L HA -0.014 4.325 4.340 -0.000 0.000 0.204 300 L C 2.392 179.082 176.870 -0.301 0.000 1.080 300 L CA 0.618 55.321 54.840 -0.228 0.000 0.759 300 L CB -0.145 41.775 42.059 -0.232 0.000 0.914 300 L HN -0.021 nan 8.230 nan 0.000 0.439 301 I N -0.902 119.418 120.570 -0.416 0.000 2.353 301 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 301 I C 0.543 176.423 176.117 -0.394 0.000 1.119 301 I CA 0.447 61.486 61.300 -0.434 0.000 1.417 301 I CB -0.102 37.569 38.000 -0.548 0.000 1.078 301 I HN 0.324 nan 8.210 nan 0.000 0.421 302 Q N 1.469 120.976 119.800 -0.488 0.000 2.459 302 Q HA -0.163 4.176 4.340 -0.000 0.000 0.322 302 Q C -0.554 175.202 176.000 -0.407 0.000 1.427 302 Q CA 0.031 55.570 55.803 -0.439 0.000 0.861 302 Q CB -1.782 26.805 28.738 -0.252 0.000 1.137 302 Q HN 0.479 nan 8.270 nan 0.000 0.394 303 L N 0.491 121.358 121.223 -0.594 0.000 2.485 303 L HA 0.066 4.406 4.340 -0.000 0.000 0.275 303 L C 1.125 177.855 176.870 -0.234 0.000 1.207 303 L CA 0.145 54.752 54.840 -0.389 0.000 0.855 303 L CB 0.703 42.502 42.059 -0.434 0.000 1.114 303 L HN 0.257 nan 8.230 nan 0.000 0.485 304 S N 5.209 120.843 115.700 -0.111 0.000 2.571 304 S HA 0.126 4.595 4.470 -0.000 0.000 0.297 304 S C -1.919 172.700 174.600 0.033 0.000 1.234 304 S CA -1.240 56.939 58.200 -0.035 0.000 1.120 304 S CB 0.050 63.234 63.200 -0.027 0.000 0.923 304 S HN 0.331 nan 8.310 nan 0.000 0.504 305 P HA 0.619 nan 4.420 nan 0.000 0.276 305 P C 0.384 177.748 177.300 0.107 0.000 1.252 305 P CA 0.081 63.282 63.100 0.168 0.000 0.802 305 P CB 0.593 32.430 31.700 0.227 0.000 1.035 306 G N -0.420 108.446 108.800 0.110 0.000 2.423 306 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.684 306 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.684 306 G C -1.404 173.530 174.900 0.058 0.000 1.309 306 G CA -0.954 44.188 45.100 0.069 0.000 0.950 306 G HN 0.611 nan 8.290 nan 0.000 0.587 307 L N 0.724 121.971 121.223 0.040 0.000 2.462 307 L HA 0.302 4.642 4.340 -0.000 0.000 0.272 307 L C 0.043 176.925 176.870 0.018 0.000 1.166 307 L CA -0.059 54.798 54.840 0.028 0.000 0.880 307 L CB 0.424 42.497 42.059 0.024 0.000 1.142 307 L HN 0.413 nan 8.230 nan 0.000 0.473 308 K N 3.373 123.775 120.400 0.003 0.000 2.206 308 K HA 0.362 4.682 4.320 -0.000 0.000 0.264 308 K C -0.261 176.311 176.600 -0.048 0.000 0.967 308 K CA -0.458 55.820 56.287 -0.015 0.000 0.844 308 K CB 1.891 34.379 32.500 -0.019 0.000 1.099 308 K HN 0.461 nan 8.250 nan 0.000 0.441 309 S N 1.447 117.135 115.700 -0.020 0.000 2.614 309 S HA 0.236 4.705 4.470 -0.000 0.000 0.265 309 S C -0.204 174.371 174.600 -0.041 0.000 1.303 309 S CA -0.461 57.741 58.200 0.003 0.000 1.000 309 S CB 0.121 63.350 63.200 0.049 0.000 0.935 309 S HN 0.302 nan 8.310 nan 0.000 0.551 310 Y N 2.996 123.308 120.300 0.019 0.000 2.620 310 Y HA 0.119 4.669 4.550 -0.000 0.000 0.330 310 Y C -0.956 174.945 175.900 0.001 0.000 1.186 310 Y CA -0.801 57.306 58.100 0.013 0.000 1.467 310 Y CB -0.021 38.445 38.460 0.011 0.000 1.262 310 Y HN 0.469 nan 8.280 nan 0.000 0.550 311 P HA 0.275 nan 4.420 nan 0.000 0.279 311 P C -0.962 176.365 177.300 0.044 0.000 1.282 311 P CA -0.632 62.501 63.100 0.054 0.000 0.788 311 P CB 0.657 32.369 31.700 0.019 0.000 1.139 312 A N 0.817 123.634 122.820 -0.005 0.000 2.561 312 A HA 0.139 4.458 4.320 -0.000 0.000 0.234 312 A C -1.200 176.363 177.584 -0.036 0.000 1.055 312 A CA -0.542 51.469 52.037 -0.044 0.000 0.756 312 A CB -1.346 17.595 19.000 -0.099 0.000 0.986 312 A HN 0.400 nan 8.150 nan 0.000 0.505 313 P HA -0.077 nan 4.420 nan 0.000 0.216 313 P C -0.120 177.242 177.300 0.103 0.000 1.153 313 P CA 2.114 65.240 63.100 0.043 0.000 0.858 313 P CB -0.131 31.619 31.700 0.084 0.000 0.789 314 Y N -4.791 115.435 120.300 -0.124 0.000 2.689 314 Y HA 0.599 5.149 4.550 -0.000 0.000 0.333 314 Y C -1.693 174.125 175.900 -0.136 0.000 1.208 314 Y CA -1.707 56.294 58.100 -0.165 0.000 1.055 314 Y CB 0.566 38.924 38.460 -0.169 0.000 1.304 314 Y HN -0.392 nan 8.280 nan 0.000 0.455 315 L N 2.736 123.851 121.223 -0.179 0.000 2.329 315 L HA 0.617 4.957 4.340 -0.000 0.000 0.279 315 L C -2.559 174.359 176.870 0.081 0.000 1.014 315 L CA -2.273 52.462 54.840 -0.174 0.000 0.814 315 L CB 1.967 43.895 42.059 -0.217 0.000 1.257 315 L HN 0.417 nan 8.230 nan 0.000 0.424 316 P HA 0.071 nan 4.420 nan 0.000 0.267 316 P C -0.520 176.899 177.300 0.198 0.000 1.200 316 P CA -0.193 62.979 63.100 0.119 0.000 0.772 316 P CB 0.413 32.129 31.700 0.026 0.000 0.855 317 L N 1.694 122.975 121.223 0.096 0.000 2.485 317 L HA 0.226 4.566 4.340 -0.000 0.000 0.275 317 L C 1.852 178.661 176.870 -0.101 0.000 1.207 317 L CA 1.140 55.919 54.840 -0.102 0.000 0.855 317 L CB -0.760 41.249 42.059 -0.083 0.000 1.114 317 L HN 0.816 nan 8.230 nan 0.000 0.485 318 G N 1.925 110.574 108.800 -0.251 0.000 2.199 318 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 318 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 318 G C 0.055 174.887 174.900 -0.113 0.000 0.982 318 G CA -0.058 44.944 45.100 -0.164 0.000 0.632 318 G HN 0.402 nan 8.290 nan 0.000 0.529 319 V N 3.091 122.991 119.914 -0.023 0.000 2.406 319 V HA 0.534 4.653 4.120 -0.000 0.000 0.272 319 V C 1.098 177.235 176.094 0.071 0.000 1.043 319 V CA -0.266 62.060 62.300 0.043 0.000 0.915 319 V CB 1.078 32.943 31.823 0.070 0.000 0.988 319 V HN 0.610 nan 8.190 nan 0.000 0.466 320 I N 5.522 126.101 120.570 0.017 0.000 2.575 320 I HA 0.515 4.685 4.170 -0.000 0.000 0.285 320 I C -1.994 174.149 176.117 0.044 0.000 1.085 320 I CA -1.678 59.644 61.300 0.036 0.000 1.403 320 I CB 0.932 38.970 38.000 0.065 0.000 1.409 320 I HN 0.387 nan 8.210 nan 0.000 0.557 321 P HA 0.142 nan 4.420 nan 0.000 0.274 321 P C -1.290 175.994 177.300 -0.027 0.000 1.231 321 P CA -0.049 63.049 63.100 -0.004 0.000 0.790 321 P CB 0.726 32.356 31.700 -0.117 0.000 0.951 322 D N 1.003 121.398 120.400 -0.009 0.000 2.400 322 D HA 0.224 4.864 4.640 -0.000 0.000 0.272 322 D C -0.515 175.783 176.300 -0.003 0.000 1.220 322 D CA -0.450 53.540 54.000 -0.015 0.000 0.897 322 D CB 0.750 41.544 40.800 -0.011 0.000 1.134 322 D HN 0.590 nan 8.370 nan 0.000 0.507 323 E N 0.552 120.752 120.200 -0.001 0.000 2.409 323 E HA 0.587 4.937 4.350 -0.000 0.000 0.280 323 E C -1.294 175.319 176.600 0.022 0.000 1.079 323 E CA -1.075 55.340 56.400 0.023 0.000 0.840 323 E CB 1.615 31.352 29.700 0.060 0.000 1.309 323 E HN -0.005 nan 8.360 nan 0.000 0.447 324 R N 0.983 121.498 120.500 0.024 0.000 2.725 324 R HA 0.597 4.937 4.340 -0.000 0.000 0.277 324 R C -0.910 175.404 176.300 0.023 0.000 0.987 324 R CA -0.803 55.309 56.100 0.021 0.000 0.901 324 R CB 1.711 32.013 30.300 0.002 0.000 1.207 324 R HN 0.592 nan 8.270 nan 0.000 0.463 325 L N 2.208 123.444 121.223 0.022 0.000 2.319 325 L HA 0.572 4.912 4.340 -0.000 0.000 0.267 325 L C -2.099 174.771 176.870 0.000 0.000 1.011 325 L CA -2.363 52.475 54.840 -0.003 0.000 0.818 325 L CB 1.914 43.964 42.059 -0.014 0.000 1.316 325 L HN 0.213 nan 8.230 nan 0.000 0.432 326 P HA 0.026 nan 4.420 nan 0.000 0.267 326 P C -0.544 176.804 177.300 0.079 0.000 1.201 326 P CA 0.063 63.161 63.100 -0.004 0.000 0.775 326 P CB 0.378 32.025 31.700 -0.089 0.000 0.854 327 L N 1.403 122.692 121.223 0.110 0.000 2.476 327 L HA 0.415 4.755 4.340 -0.000 0.000 0.255 327 L C 0.655 177.638 176.870 0.190 0.000 1.218 327 L CA -0.106 54.835 54.840 0.168 0.000 0.819 327 L CB 0.031 42.172 42.059 0.136 0.000 1.119 327 L HN 0.395 nan 8.230 nan 0.000 0.485 328 M N 0.700 120.455 119.600 0.258 0.000 2.593 328 M HA 0.749 5.229 4.480 -0.000 0.000 0.290 328 M C -1.587 174.919 176.300 0.344 0.000 1.244 328 M CA -0.159 55.290 55.300 0.247 0.000 0.857 328 M CB 2.358 35.022 32.600 0.107 0.000 1.738 328 M HN 0.617 nan 8.290 nan 0.000 0.461 329 A N 2.397 125.368 122.820 0.253 0.000 2.549 329 A HA 0.775 5.095 4.320 -0.000 0.000 0.297 329 A C -1.825 175.677 177.584 -0.136 0.000 1.061 329 A CA -0.787 51.289 52.037 0.065 0.000 0.690 329 A CB 1.272 20.192 19.000 -0.135 0.000 1.287 329 A HN 0.952 nan 8.150 nan 0.000 0.402 330 N N -0.615 117.848 118.700 -0.394 0.000 2.362 330 N HA 0.806 5.546 4.740 -0.000 0.000 0.299 330 N C -1.413 173.598 175.510 -0.832 0.000 1.170 330 N CA -0.549 52.089 53.050 -0.686 0.000 0.825 330 N CB 1.145 38.895 38.487 -1.228 0.000 1.299 330 N HN 0.315 nan 8.380 nan 0.000 0.502 331 F N -0.433 119.373 119.950 -0.241 0.000 2.507 331 F HA 0.412 4.939 4.527 -0.000 0.000 0.328 331 F C -0.112 175.551 175.800 -0.229 0.000 1.136 331 F CA -0.722 57.168 58.000 -0.183 0.000 0.930 331 F CB 2.382 41.325 39.000 -0.095 0.000 1.166 331 F HN 0.331 nan 8.300 nan 0.000 0.436 332 T N 4.768 119.244 114.554 -0.129 0.000 2.806 332 T HA 0.507 4.857 4.350 -0.000 0.000 0.290 332 T C -0.121 174.412 174.700 -0.280 0.000 0.966 332 T CA -0.514 61.420 62.100 -0.277 0.000 1.060 332 T CB 0.571 69.163 68.868 -0.461 0.000 0.927 332 T HN 0.335 nan 8.240 nan 0.000 0.485 333 L N 5.255 126.347 121.223 -0.220 0.000 2.270 333 L HA 0.350 4.690 4.340 -0.000 0.000 0.286 333 L C 0.498 177.297 176.870 -0.119 0.000 1.059 333 L CA -0.817 53.951 54.840 -0.120 0.000 0.839 333 L CB 0.013 42.033 42.059 -0.065 0.000 1.221 333 L HN 0.534 nan 8.230 nan 0.000 0.431 334 H N 2.565 121.650 119.070 0.024 0.000 2.525 334 H HA 0.150 4.706 4.556 -0.000 0.000 0.339 334 H C 0.235 175.588 175.328 0.042 0.000 1.109 334 H CA -0.158 55.907 56.048 0.029 0.000 1.352 334 H CB 1.848 31.611 29.762 0.001 0.000 1.461 334 H HN 0.592 nan 8.280 nan 0.000 0.533 335 Q N 1.097 121.009 119.800 0.186 0.000 2.432 335 Q HA -0.073 4.266 4.340 -0.000 0.000 0.205 335 Q C 0.698 176.751 176.000 0.089 0.000 0.945 335 Q CA 0.572 56.452 55.803 0.128 0.000 0.924 335 Q CB 0.319 29.138 28.738 0.135 0.000 1.016 335 Q HN 0.540 nan 8.270 nan 0.000 0.503 336 N N -0.428 118.322 118.700 0.083 0.000 2.234 336 N HA 0.017 4.757 4.740 -0.000 0.000 0.227 336 N C -1.035 174.488 175.510 0.022 0.000 1.151 336 N CA 0.124 53.195 53.050 0.034 0.000 0.865 336 N CB 0.748 39.236 38.487 0.003 0.000 1.066 336 N HN -0.091 nan 8.380 nan 0.000 0.515 337 D N 0.266 120.699 120.400 0.056 0.000 2.891 337 D HA 0.258 4.898 4.640 -0.000 0.000 0.224 337 D C -2.336 174.000 176.300 0.059 0.000 1.321 337 D CA -1.360 52.665 54.000 0.042 0.000 0.929 337 D CB 2.766 43.584 40.800 0.030 0.000 1.551 337 D HN -0.134 nan 8.370 nan 0.000 0.574 338 P HA 0.046 nan 4.420 nan 0.000 0.241 338 P C 0.241 177.556 177.300 0.026 0.000 1.191 338 P CA 0.115 63.233 63.100 0.030 0.000 0.771 338 P CB 0.496 32.208 31.700 0.019 0.000 0.929 339 V N 3.462 123.392 119.914 0.027 0.000 2.394 339 V HA 0.273 4.393 4.120 -0.000 0.000 0.282 339 V C -2.164 173.951 176.094 0.035 0.000 1.031 339 V CA -2.297 60.011 62.300 0.013 0.000 0.881 339 V CB 1.065 32.883 31.823 -0.009 0.000 0.982 339 V HN -0.023 nan 8.190 nan 0.000 0.451 340 P HA 0.108 nan 4.420 nan 0.000 0.268 340 P C -0.489 176.841 177.300 0.050 0.000 1.205 340 P CA -0.018 63.107 63.100 0.042 0.000 0.771 340 P CB 0.787 32.519 31.700 0.052 0.000 0.858 341 E N 4.706 124.920 120.200 0.022 0.000 2.134 341 E HA 0.298 4.648 4.350 -0.000 0.000 0.278 341 E C -2.249 174.261 176.600 -0.150 0.000 0.959 341 E CA -2.699 53.676 56.400 -0.041 0.000 0.783 341 E CB 1.003 30.750 29.700 0.077 0.000 1.095 341 E HN 0.287 nan 8.360 nan 0.000 0.399 342 P HA 0.117 nan 4.420 nan 0.000 0.281 342 P C -1.323 175.758 177.300 -0.365 0.000 1.249 342 P CA -0.392 62.406 63.100 -0.504 0.000 0.810 342 P CB 1.121 32.491 31.700 -0.549 0.000 1.008 343 Q N 1.106 120.699 119.800 -0.345 0.000 2.304 343 Q HA 0.500 4.839 4.340 -0.000 0.000 0.270 343 Q C -1.156 174.666 176.000 -0.296 0.000 1.035 343 Q CA -0.841 54.853 55.803 -0.182 0.000 0.781 343 Q CB 1.786 30.400 28.738 -0.207 0.000 1.261 343 Q HN 0.356 nan 8.270 nan 0.000 0.444 344 V N 0.856 120.677 119.914 -0.155 0.000 2.732 344 V HA 0.659 4.779 4.120 -0.000 0.000 0.310 344 V C -1.315 174.505 176.094 -0.457 0.000 1.053 344 V CA -0.637 61.547 62.300 -0.193 0.000 0.957 344 V CB 1.246 33.056 31.823 -0.022 0.000 1.018 344 V HN 0.731 nan 8.190 nan 0.000 0.452 345 Y N 1.894 122.218 120.300 0.041 0.000 2.326 345 Y HA 0.656 5.206 4.550 -0.000 0.000 0.331 345 Y C -0.524 175.458 175.900 0.138 0.000 0.962 345 Y CA -0.819 57.389 58.100 0.180 0.000 1.167 345 Y CB 1.688 40.249 38.460 0.168 0.000 1.148 345 Y HN 0.586 nan 8.280 nan 0.000 0.463 346 F N 2.053 122.195 119.950 0.319 0.000 2.413 346 F HA 0.254 4.780 4.527 -0.000 0.000 0.359 346 F C 0.602 176.522 175.800 0.201 0.000 1.122 346 F CA -0.509 57.610 58.000 0.197 0.000 1.160 346 F CB 0.752 39.785 39.000 0.054 0.000 1.146 346 F HN 0.341 nan 8.300 nan 0.000 0.514 347 T N 1.531 116.239 114.554 0.257 0.000 2.875 347 T HA 0.118 4.468 4.350 -0.000 0.000 0.307 347 T C 1.222 175.912 174.700 -0.016 0.000 1.013 347 T CA -0.318 61.783 62.100 0.001 0.000 0.970 347 T CB 0.258 69.107 68.868 -0.032 0.000 0.986 347 T HN 0.739 nan 8.240 nan 0.000 0.536 348 T N 0.240 114.792 114.554 -0.004 0.000 3.060 348 T HA 0.185 4.535 4.350 -0.000 0.000 0.249 348 T C 0.585 175.299 174.700 0.022 0.000 1.079 348 T CA -0.545 61.561 62.100 0.010 0.000 1.013 348 T CB -0.397 68.491 68.868 0.032 0.000 0.975 348 T HN 0.417 nan 8.240 nan 0.000 0.518 349 F N 3.115 122.992 119.950 -0.122 0.000 2.604 349 F HA 0.350 4.877 4.527 -0.000 0.000 0.393 349 F C 1.504 177.278 175.800 -0.043 0.000 1.043 349 F CA 1.177 59.130 58.000 -0.078 0.000 1.227 349 F CB -0.254 38.652 39.000 -0.156 0.000 1.016 349 F HN 0.420 nan 8.300 nan 0.000 0.556 350 G N 4.691 113.074 108.800 -0.695 0.000 2.213 350 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.226 350 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.226 350 G C 0.216 174.980 174.900 -0.228 0.000 0.992 350 G CA 0.050 44.873 45.100 -0.462 0.000 0.632 350 G HN 0.624 nan 8.290 nan 0.000 0.511 351 M N 1.026 120.524 119.600 -0.170 0.000 2.288 351 M HA 0.288 4.768 4.480 -0.000 0.000 0.334 351 M C 0.705 176.944 176.300 -0.101 0.000 1.150 351 M CA -0.603 54.628 55.300 -0.115 0.000 1.118 351 M CB 0.736 33.274 32.600 -0.103 0.000 1.501 351 M HN 0.214 nan 8.290 nan 0.000 0.462 352 N N 1.950 120.599 118.700 -0.085 0.000 2.414 352 N HA -0.101 4.639 4.740 -0.000 0.000 0.268 352 N C -0.211 175.271 175.510 -0.046 0.000 1.286 352 N CA 0.291 53.301 53.050 -0.066 0.000 0.896 352 N CB 0.602 39.054 38.487 -0.058 0.000 1.093 352 N HN 0.625 nan 8.380 nan 0.000 0.480 353 D N 3.756 124.148 120.400 -0.014 0.000 2.144 353 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 353 D C 1.768 178.123 176.300 0.092 0.000 0.978 353 D CA 1.031 55.093 54.000 0.104 0.000 0.833 353 D CB 0.274 41.125 40.800 0.085 0.000 0.961 353 D HN 0.610 nan 8.370 nan 0.000 0.470 354 M N 0.712 120.335 119.600 0.038 0.000 2.175 354 M HA -0.038 4.441 4.480 -0.000 0.000 0.264 354 M C 2.322 178.614 176.300 -0.015 0.000 1.063 354 M CA 0.553 55.871 55.300 0.030 0.000 1.119 354 M CB -1.140 31.473 32.600 0.022 0.000 1.377 354 M HN -0.078 nan 8.290 nan 0.000 0.415 355 A N 0.007 122.798 122.820 -0.048 0.000 1.877 355 A HA -0.088 4.231 4.320 -0.000 0.000 0.216 355 A C 2.449 179.947 177.584 -0.143 0.000 1.186 355 A CA 1.839 53.824 52.037 -0.088 0.000 0.620 355 A CB -1.013 17.931 19.000 -0.093 0.000 0.822 355 A HN 0.281 nan 8.150 nan 0.000 0.443 356 V N -0.029 119.772 119.914 -0.188 0.000 2.332 356 V HA -0.278 3.841 4.120 -0.000 0.000 0.248 356 V C 3.049 178.938 176.094 -0.342 0.000 1.055 356 V CA 2.017 64.115 62.300 -0.337 0.000 1.038 356 V CB -1.291 30.220 31.823 -0.520 0.000 0.651 356 V HN 0.623 nan 8.190 nan 0.000 0.450 357 A N -0.053 122.671 122.820 -0.160 0.000 1.972 357 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 357 A C 2.029 179.598 177.584 -0.026 0.000 1.169 357 A CA 2.205 54.297 52.037 0.091 0.000 0.635 357 A CB -0.632 18.545 19.000 0.295 0.000 0.810 357 A HN 0.630 nan 8.150 nan 0.000 0.446 358 D N -0.444 119.913 120.400 -0.071 0.000 2.103 358 D HA 0.024 4.664 4.640 -0.000 0.000 0.199 358 D C 2.082 178.282 176.300 -0.166 0.000 0.978 358 D CA 1.507 55.455 54.000 -0.088 0.000 0.829 358 D CB -0.226 40.530 40.800 -0.072 0.000 0.981 358 D HN 0.310 nan 8.370 nan 0.000 0.464 359 A N 0.345 123.035 122.820 -0.216 0.000 1.892 359 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 359 A C 2.430 179.792 177.584 -0.370 0.000 1.188 359 A CA 1.497 53.369 52.037 -0.275 0.000 0.631 359 A CB -1.052 17.759 19.000 -0.316 0.000 0.822 359 A HN 0.388 nan 8.150 nan 0.000 0.447 360 L N -0.968 119.956 121.223 -0.499 0.000 2.017 360 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 360 L C 2.867 179.017 176.870 -1.201 0.000 1.073 360 L CA 1.845 56.148 54.840 -0.895 0.000 0.745 360 L CB -1.003 40.480 42.059 -0.961 0.000 0.894 360 L HN 0.384 nan 8.230 nan 0.000 0.432 361 T N -1.121 113.049 114.554 -0.641 0.000 2.665 361 T HA -0.229 4.120 4.350 -0.000 0.000 0.268 361 T C 1.854 176.442 174.700 -0.186 0.000 1.035 361 T CA 2.076 64.024 62.100 -0.254 0.000 1.151 361 T CB -0.404 68.449 68.868 -0.025 0.000 0.862 361 T HN 0.367 nan 8.240 nan 0.000 0.438 362 T N 1.486 115.922 114.554 -0.197 0.000 2.708 362 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 362 T C 1.545 176.154 174.700 -0.153 0.000 1.037 362 T CA 1.068 63.085 62.100 -0.138 0.000 1.146 362 T CB -0.541 68.251 68.868 -0.127 0.000 0.865 362 T HN 0.366 nan 8.240 nan 0.000 0.435 363 F N 1.345 121.069 119.950 -0.378 0.000 2.102 363 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 363 F C 1.734 177.359 175.800 -0.292 0.000 1.105 363 F CA 1.201 58.978 58.000 -0.370 0.000 1.239 363 F CB -0.395 38.342 39.000 -0.439 0.000 0.991 363 F HN 0.053 nan 8.300 nan 0.000 0.474 364 F N 1.128 121.026 119.950 -0.087 0.000 2.091 364 F HA -0.208 4.318 4.527 -0.000 0.000 0.299 364 F C 2.430 178.074 175.800 -0.260 0.000 1.103 364 F CA 1.514 59.422 58.000 -0.153 0.000 1.228 364 F CB -1.603 37.475 39.000 0.131 0.000 0.984 364 F HN 0.085 nan 8.300 nan 0.000 0.477 365 E N 0.051 120.257 120.200 0.010 0.000 2.033 365 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 365 E C 2.336 178.832 176.600 -0.174 0.000 1.011 365 E CA 1.651 58.020 56.400 -0.051 0.000 0.815 365 E CB -0.236 29.437 29.700 -0.045 0.000 0.755 365 E HN 0.314 nan 8.360 nan 0.000 0.451 366 R N 0.191 120.527 120.500 -0.274 0.000 2.127 366 R HA -0.088 4.252 4.340 -0.000 0.000 0.238 366 R C 2.019 178.053 176.300 -0.443 0.000 1.134 366 R CA 0.957 56.852 56.100 -0.341 0.000 0.975 366 R CB -0.092 29.971 30.300 -0.394 0.000 0.865 366 R HN 0.054 nan 8.270 nan 0.000 0.447 367 R N -0.395 119.698 120.500 -0.678 0.000 2.299 367 R HA 0.070 4.410 4.340 -0.000 0.000 0.197 367 R C 1.109 177.141 176.300 -0.447 0.000 0.971 367 R CA 0.773 56.418 56.100 -0.758 0.000 1.030 367 R CB 0.021 29.365 30.300 -1.593 0.000 0.932 367 R HN 0.435 nan 8.270 nan 0.000 0.477 368 G N 1.178 109.823 108.800 -0.259 0.000 2.198 368 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.260 368 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.260 368 G C -0.449 174.540 174.900 0.147 0.000 1.025 368 G CA 0.034 45.112 45.100 -0.037 0.000 0.769 368 G HN 0.287 nan 8.290 nan 0.000 0.507 369 W N 1.027 122.335 121.300 0.015 0.000 1.828 369 W HA 0.601 5.261 4.660 -0.000 0.000 0.470 369 W C 1.202 177.729 176.519 0.014 0.000 0.786 369 W CA -0.717 56.621 57.345 -0.012 0.000 1.816 369 W CB -0.790 28.620 29.460 -0.083 0.000 1.798 369 W HN 0.197 nan 8.180 nan 0.000 0.252 370 S N 0.815 116.635 115.700 0.200 0.000 2.383 370 S HA -0.159 4.311 4.470 -0.000 0.000 0.227 370 S C 1.878 176.551 174.600 0.122 0.000 1.026 370 S CA 1.273 59.553 58.200 0.133 0.000 0.981 370 S CB 0.322 63.577 63.200 0.092 0.000 0.818 370 S HN 0.272 nan 8.310 nan 0.000 0.472 371 E N 0.688 120.950 120.200 0.104 0.000 2.028 371 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 371 E C 2.032 178.689 176.600 0.096 0.000 0.988 371 E CA 0.870 57.318 56.400 0.080 0.000 0.799 371 E CB -0.513 29.216 29.700 0.048 0.000 0.755 371 E HN 0.343 nan 8.360 nan 0.000 0.447 372 M N 1.038 120.675 119.600 0.062 0.000 2.113 372 M HA -0.224 4.256 4.480 -0.000 0.000 0.255 372 M C 2.140 178.578 176.300 0.230 0.000 1.073 372 M CA 2.046 57.345 55.300 -0.002 0.000 1.091 372 M CB -1.123 31.296 32.600 -0.301 0.000 1.309 372 M HN 0.119 nan 8.290 nan 0.000 0.407 373 A N -1.242 121.765 122.820 0.313 0.000 1.933 373 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 373 A C 2.373 180.106 177.584 0.248 0.000 1.175 373 A CA 1.968 54.232 52.037 0.379 0.000 0.628 373 A CB -0.676 18.492 19.000 0.280 0.000 0.814 373 A HN 0.560 nan 8.150 nan 0.000 0.444 374 R N -0.631 119.972 120.500 0.173 0.000 2.075 374 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 374 R C 2.177 178.546 176.300 0.115 0.000 1.126 374 R CA 2.006 58.177 56.100 0.119 0.000 0.963 374 R CB -0.243 30.108 30.300 0.085 0.000 0.858 374 R HN 0.682 nan 8.270 nan 0.000 0.435 375 T N -3.031 111.602 114.554 0.132 0.000 3.037 375 T HA -0.037 4.312 4.350 -0.000 0.000 0.251 375 T C 1.591 176.354 174.700 0.104 0.000 1.079 375 T CA -0.029 62.124 62.100 0.089 0.000 1.067 375 T CB -0.300 68.607 68.868 0.066 0.000 0.948 375 T HN 0.255 nan 8.240 nan 0.000 0.496 376 Y N 2.438 122.799 120.300 0.101 0.000 2.053 376 Y HA -0.169 4.381 4.550 -0.000 0.000 0.277 376 Y C 2.368 178.297 175.900 0.049 0.000 1.159 376 Y CA 2.113 60.294 58.100 0.134 0.000 1.125 376 Y CB -0.317 38.351 38.460 0.347 0.000 0.969 376 Y HN 0.247 nan 8.280 nan 0.000 0.492 377 E N -1.036 119.219 120.200 0.091 0.000 2.051 377 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 377 E C 2.160 178.645 176.600 -0.191 0.000 0.991 377 E CA 2.074 58.447 56.400 -0.046 0.000 0.799 377 E CB -0.252 29.469 29.700 0.036 0.000 0.748 377 E HN 0.449 nan 8.360 nan 0.000 0.449 378 T N 0.065 114.535 114.554 -0.139 0.000 2.665 378 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 378 T C 1.948 176.475 174.700 -0.287 0.000 1.035 378 T CA 1.831 63.825 62.100 -0.176 0.000 1.151 378 T CB -0.494 68.315 68.868 -0.099 0.000 0.862 378 T HN 0.212 nan 8.240 nan 0.000 0.438 379 T N 2.136 116.489 114.554 -0.335 0.000 2.737 379 T HA 0.002 4.352 4.350 -0.000 0.000 0.265 379 T C 1.917 176.031 174.700 -0.977 0.000 1.038 379 T CA 0.822 62.603 62.100 -0.533 0.000 1.144 379 T CB -0.487 68.149 68.868 -0.387 0.000 0.866 379 T HN 0.123 nan 8.240 nan 0.000 0.434 380 L N 1.314 122.046 121.223 -0.818 0.000 1.989 380 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 380 L C 2.274 178.885 176.870 -0.432 0.000 1.071 380 L CA 1.885 56.307 54.840 -0.697 0.000 0.749 380 L CB -0.461 41.277 42.059 -0.535 0.000 0.890 380 L HN 0.086 nan 8.230 nan 0.000 0.431 381 K N -0.614 119.538 120.400 -0.413 0.000 2.074 381 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 381 K C 2.200 178.654 176.600 -0.243 0.000 1.048 381 K CA 1.726 57.737 56.287 -0.459 0.000 0.926 381 K CB -0.412 31.657 32.500 -0.719 0.000 0.713 381 K HN 0.617 nan 8.250 nan 0.000 0.444 382 S N 0.102 115.609 115.700 -0.321 0.000 2.447 382 S HA -0.143 4.326 4.470 -0.000 0.000 0.233 382 S C 1.734 176.258 174.600 -0.128 0.000 1.006 382 S CA 0.716 58.786 58.200 -0.216 0.000 0.957 382 S CB -0.352 62.711 63.200 -0.229 0.000 0.773 382 S HN 0.225 nan 8.310 nan 0.000 0.507 383 Y N 0.329 120.526 120.300 -0.171 0.000 2.314 383 Y HA 0.197 4.747 4.550 -0.000 0.000 0.293 383 Y C 0.535 176.035 175.900 -0.666 0.000 1.129 383 Y CA -0.301 57.571 58.100 -0.381 0.000 1.201 383 Y CB -0.662 37.596 38.460 -0.336 0.000 0.999 383 Y HN 0.397 nan 8.280 nan 0.000 0.541 384 Y N 0.137 120.530 120.300 0.154 0.000 2.470 384 Y HA 0.318 4.868 4.550 -0.000 0.000 0.352 384 Y C -1.847 174.152 175.900 0.165 0.000 0.967 384 Y CA -2.347 55.842 58.100 0.148 0.000 1.121 384 Y CB 0.693 39.245 38.460 0.154 0.000 1.149 384 Y HN -0.069 nan 8.280 nan 0.000 0.641 385 P HA -0.098 nan 4.420 nan 0.000 0.229 385 P C 0.304 177.493 177.300 -0.185 0.000 1.160 385 P CA 1.532 64.599 63.100 -0.056 0.000 0.777 385 P CB 0.236 31.753 31.700 -0.304 0.000 0.814 386 H N -1.071 118.063 119.070 0.106 0.000 2.549 386 H HA 0.446 5.002 4.556 -0.000 0.000 0.279 386 H C 0.898 176.192 175.328 -0.056 0.000 1.018 386 H CA -0.393 55.672 56.048 0.028 0.000 1.175 386 H CB 0.138 29.933 29.762 0.055 0.000 1.485 386 H HN 0.098 nan 8.280 nan 0.000 0.543 387 A N 0.818 123.592 122.820 -0.076 0.000 2.351 387 A HA 0.072 4.392 4.320 -0.000 0.000 0.257 387 A C 0.011 177.322 177.584 -0.454 0.000 1.087 387 A CA -0.486 51.441 52.037 -0.184 0.000 0.798 387 A CB 0.226 19.170 19.000 -0.093 0.000 1.033 387 A HN 0.278 nan 8.150 nan 0.000 0.488 388 D N 0.556 120.825 120.400 -0.218 0.000 2.455 388 D HA 0.130 4.769 4.640 -0.000 0.000 0.234 388 D C 1.049 177.260 176.300 -0.148 0.000 1.224 388 D CA 0.338 54.237 54.000 -0.169 0.000 0.999 388 D CB -0.547 40.219 40.800 -0.057 0.000 1.072 388 D HN 0.597 nan 8.370 nan 0.000 0.514 389 H N 0.989 120.062 119.070 0.005 0.000 2.387 389 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 389 H C 1.002 176.313 175.328 -0.028 0.000 1.099 389 H CA 1.360 57.397 56.048 -0.018 0.000 1.315 389 H CB 0.431 30.185 29.762 -0.012 0.000 1.380 389 H HN 0.342 nan 8.280 nan 0.000 0.513 390 D N 0.012 120.463 120.400 0.085 0.000 2.348 390 D HA -0.059 4.581 4.640 -0.000 0.000 0.216 390 D C 1.330 177.635 176.300 0.008 0.000 0.970 390 D CA 0.734 54.758 54.000 0.040 0.000 0.889 390 D CB 0.142 40.961 40.800 0.031 0.000 0.912 390 D HN 0.373 nan 8.370 nan 0.000 0.524 391 K N -0.121 120.278 120.400 -0.003 0.000 2.355 391 K HA 0.170 4.489 4.320 -0.000 0.000 0.198 391 K C 0.764 177.349 176.600 -0.026 0.000 1.039 391 K CA -0.205 56.076 56.287 -0.010 0.000 1.075 391 K CB 1.060 33.559 32.500 -0.001 0.000 0.870 391 K HN 0.161 nan 8.250 nan 0.000 0.540 392 L N 3.606 124.790 121.223 -0.065 0.000 2.490 392 L HA -0.039 4.301 4.340 -0.000 0.000 0.274 392 L C 0.753 177.512 176.870 -0.185 0.000 1.201 392 L CA 0.256 54.980 54.840 -0.194 0.000 0.869 392 L CB 0.124 42.012 42.059 -0.285 0.000 1.123 392 L HN 0.273 nan 8.230 nan 0.000 0.484 393 N N 2.695 121.267 118.700 -0.214 0.000 2.545 393 N HA -0.001 4.739 4.740 -0.000 0.000 0.283 393 N C -0.441 174.942 175.510 -0.212 0.000 1.596 393 N CA -0.398 52.556 53.050 -0.159 0.000 0.862 393 N CB 0.114 38.545 38.487 -0.093 0.000 1.422 393 N HN 0.663 nan 8.380 nan 0.000 0.489 394 Y N -2.720 117.457 120.300 -0.206 0.000 2.858 394 Y HA 0.478 5.028 4.550 -0.000 0.000 0.270 394 Y C 0.736 176.662 175.900 0.045 0.000 1.063 394 Y CA -0.703 57.247 58.100 -0.250 0.000 1.263 394 Y CB -0.094 38.327 38.460 -0.065 0.000 1.378 394 Y HN -0.089 nan 8.280 nan 0.000 0.578 395 L N 0.327 121.389 121.223 -0.268 0.000 2.068 395 L HA 0.046 4.385 4.340 -0.000 0.000 0.204 395 L C 0.166 177.031 176.870 -0.008 0.000 1.076 395 L CA 0.978 55.713 54.840 -0.174 0.000 0.753 395 L CB -0.500 41.352 42.059 -0.346 0.000 0.910 395 L HN 0.282 nan 8.230 nan 0.000 0.439 396 H N -0.338 118.803 119.070 0.118 0.000 2.934 396 H HA 0.244 4.800 4.556 -0.000 0.000 0.273 396 H C 0.865 176.330 175.328 0.229 0.000 1.121 396 H CA 0.190 56.354 56.048 0.193 0.000 1.451 396 H CB 1.204 31.051 29.762 0.143 0.000 1.469 396 H HN 0.133 nan 8.280 nan 0.000 0.476 397 A N 3.683 126.729 122.820 0.377 0.000 1.874 397 A HA 0.029 4.349 4.320 -0.000 0.000 0.214 397 A C -0.294 177.247 177.584 -0.071 0.000 1.189 397 A CA 1.139 53.319 52.037 0.238 0.000 0.615 397 A CB 0.138 19.300 19.000 0.269 0.000 0.830 397 A HN 0.628 nan 8.150 nan 0.000 0.443 398 Y N -2.277 118.241 120.300 0.362 0.000 2.552 398 Y HA 0.588 5.138 4.550 -0.000 0.000 0.337 398 Y C -0.759 175.446 175.900 0.510 0.000 1.094 398 Y CA -0.824 57.489 58.100 0.355 0.000 1.028 398 Y CB 1.589 40.148 38.460 0.166 0.000 1.321 398 Y HN 0.040 nan 8.280 nan 0.000 0.456 399 I N 2.357 123.310 120.570 0.639 0.000 2.433 399 I HA 0.482 4.652 4.170 -0.000 0.000 0.292 399 I C -0.443 176.045 176.117 0.618 0.000 1.001 399 I CA -0.659 60.972 61.300 0.551 0.000 1.119 399 I CB 1.913 40.068 38.000 0.257 0.000 1.289 399 I HN 0.620 nan 8.210 nan 0.000 0.438 400 S N 5.796 121.846 115.700 0.583 0.000 2.608 400 S HA 0.755 5.225 4.470 -0.000 0.000 0.291 400 S C -0.909 173.931 174.600 0.400 0.000 1.146 400 S CA -0.515 57.880 58.200 0.325 0.000 1.043 400 S CB 1.964 65.414 63.200 0.417 0.000 1.037 400 S HN 0.479 nan 8.310 nan 0.000 0.520 401 F N 1.556 121.586 119.950 0.134 0.000 2.588 401 F HA 0.638 5.164 4.527 -0.000 0.000 0.314 401 F C -0.627 175.374 175.800 0.334 0.000 1.134 401 F CA 0.014 58.178 58.000 0.273 0.000 0.961 401 F CB 1.833 40.977 39.000 0.241 0.000 1.239 401 F HN 1.042 nan 8.300 nan 0.000 0.448 402 S N 3.793 119.248 115.700 -0.409 0.000 2.651 402 S HA 0.615 5.085 4.470 -0.000 0.000 0.279 402 S C -2.037 172.352 174.600 -0.350 0.000 1.148 402 S CA -0.726 57.403 58.200 -0.118 0.000 0.837 402 S CB 2.100 65.258 63.200 -0.070 0.000 1.138 402 S HN 0.736 nan 8.310 nan 0.000 0.478 403 Y N 0.921 121.228 120.300 0.012 0.000 2.488 403 Y HA 0.534 5.083 4.550 -0.000 0.000 0.330 403 Y C -0.670 175.279 175.900 0.082 0.000 1.013 403 Y CA -0.684 57.482 58.100 0.109 0.000 1.304 403 Y CB 0.881 39.619 38.460 0.463 0.000 1.098 403 Y HN 0.726 nan 8.280 nan 0.000 0.498 404 R N 4.383 124.774 120.500 -0.182 0.000 2.295 404 R HA 0.266 4.606 4.340 -0.000 0.000 0.324 404 R C -0.663 175.502 176.300 -0.226 0.000 0.968 404 R CA -0.655 55.341 56.100 -0.174 0.000 0.837 404 R CB 0.860 31.070 30.300 -0.149 0.000 1.133 404 R HN 0.675 nan 8.270 nan 0.000 0.450 405 D N 3.396 123.679 120.400 -0.196 0.000 2.720 405 D HA -0.233 4.407 4.640 -0.000 0.000 0.229 405 D C -0.266 175.892 176.300 -0.236 0.000 1.198 405 D CA 0.967 54.866 54.000 -0.168 0.000 0.639 405 D CB -0.530 40.199 40.800 -0.118 0.000 1.003 405 D HN 0.746 nan 8.370 nan 0.000 0.411 406 R N -2.482 117.746 120.500 -0.453 0.000 3.770 406 R HA -0.181 4.159 4.340 -0.000 0.000 0.305 406 R C -0.359 175.568 176.300 -0.622 0.000 1.184 406 R CA 1.388 57.075 56.100 -0.689 0.000 0.823 406 R CB -2.181 28.040 30.300 -0.132 0.000 1.285 406 R HN 0.251 nan 8.270 nan 0.000 0.499 407 T N 1.384 115.606 114.554 -0.553 0.000 2.792 407 T HA 0.399 4.749 4.350 -0.000 0.000 0.280 407 T C -2.406 172.337 174.700 0.071 0.000 0.990 407 T CA -1.508 60.526 62.100 -0.110 0.000 0.960 407 T CB 2.130 71.002 68.868 0.006 0.000 0.939 407 T HN -0.107 nan 8.240 nan 0.000 0.439 408 P HA 0.166 nan 4.420 nan 0.000 0.271 408 P C -1.374 176.255 177.300 0.549 0.000 1.216 408 P CA -0.312 63.190 63.100 0.670 0.000 0.771 408 P CB 0.384 32.608 31.700 0.875 0.000 0.864 409 Y N 4.095 124.470 120.300 0.125 0.000 2.338 409 Y HA 0.634 5.184 4.550 -0.000 0.000 0.333 409 Y C -1.443 174.566 175.900 0.182 0.000 0.968 409 Y CA -1.006 57.152 58.100 0.097 0.000 1.123 409 Y CB 1.433 39.874 38.460 -0.033 0.000 1.165 409 Y HN 0.292 nan 8.280 nan 0.000 0.452 410 L N 5.217 126.427 121.223 -0.022 0.000 2.464 410 L HA 0.729 5.069 4.340 -0.000 0.000 0.266 410 L C -1.457 175.398 176.870 -0.026 0.000 0.965 410 L CA -0.092 54.880 54.840 0.220 0.000 0.833 410 L CB 2.025 44.462 42.059 0.629 0.000 1.296 410 L HN 0.671 nan 8.230 nan 0.000 0.405 411 S N 2.861 118.631 115.700 0.117 0.000 2.548 411 S HA 0.778 5.248 4.470 -0.000 0.000 0.286 411 S C -0.994 173.725 174.600 0.199 0.000 1.098 411 S CA -0.634 57.596 58.200 0.049 0.000 0.930 411 S CB 2.143 65.324 63.200 -0.033 0.000 1.070 411 S HN 0.593 nan 8.310 nan 0.000 0.480 412 V N 0.290 120.267 119.914 0.105 0.000 2.628 412 V HA 0.709 4.829 4.120 -0.000 0.000 0.306 412 V C -1.851 174.275 176.094 0.053 0.000 1.045 412 V CA -0.759 61.715 62.300 0.290 0.000 0.905 412 V CB 0.883 32.968 31.823 0.436 0.000 0.997 412 V HN 0.851 nan 8.190 nan 0.000 0.436 413 Y N 4.406 124.893 120.300 0.312 0.000 2.334 413 Y HA 0.766 5.316 4.550 -0.000 0.000 0.336 413 Y C -0.078 175.949 175.900 0.212 0.000 0.960 413 Y CA -0.607 57.634 58.100 0.235 0.000 1.164 413 Y CB 1.838 40.474 38.460 0.292 0.000 1.155 413 Y HN 0.567 nan 8.280 nan 0.000 0.478 414 L N 2.884 124.230 121.223 0.204 0.000 2.362 414 L HA 0.408 4.747 4.340 -0.000 0.000 0.271 414 L C -0.385 176.583 176.870 0.164 0.000 1.002 414 L CA -1.416 53.517 54.840 0.153 0.000 0.818 414 L CB 1.962 44.079 42.059 0.096 0.000 1.298 414 L HN 0.506 nan 8.230 nan 0.000 0.420 415 Q N 1.551 121.480 119.800 0.216 0.000 2.308 415 Q HA -0.006 4.334 4.340 -0.000 0.000 0.313 415 Q C -0.737 175.459 176.000 0.327 0.000 1.075 415 Q CA 0.750 56.723 55.803 0.285 0.000 0.995 415 Q CB 0.526 29.446 28.738 0.304 0.000 1.107 415 Q HN 0.544 nan 8.270 nan 0.000 0.380 416 S N 5.319 121.215 115.700 0.328 0.000 2.130 416 S HA 0.543 5.013 4.470 -0.000 0.000 0.165 416 S C -1.540 173.385 174.600 0.541 0.000 1.677 416 S CA -0.460 57.942 58.200 0.336 0.000 1.227 416 S CB -0.113 63.196 63.200 0.181 0.000 1.115 416 S HN 0.529 nan 8.310 nan 0.000 0.452 417 F N 1.630 121.724 119.950 0.239 0.000 2.651 417 F HA 0.279 4.806 4.527 -0.000 0.000 0.327 417 F C -0.674 175.117 175.800 -0.015 0.000 1.133 417 F CA -0.817 57.228 58.000 0.074 0.000 1.076 417 F CB 0.971 39.987 39.000 0.027 0.000 1.315 417 F HN 0.456 nan 8.300 nan 0.000 0.499 418 E N 2.164 121.852 120.200 -0.854 0.000 2.246 418 E HA -0.167 4.183 4.350 -0.000 0.000 0.211 418 E C -0.312 176.155 176.600 -0.221 0.000 1.278 418 E CA 0.844 56.685 56.400 -0.932 0.000 0.694 418 E CB -1.154 27.841 29.700 -1.176 0.000 1.166 418 E HN 0.655 nan 8.360 nan 0.000 0.370 419 T N -2.869 111.524 114.554 -0.269 0.000 2.897 419 T HA 0.673 5.023 4.350 -0.000 0.000 0.278 419 T C 1.213 175.814 174.700 -0.165 0.000 0.981 419 T CA -0.126 61.745 62.100 -0.382 0.000 0.973 419 T CB 1.987 70.553 68.868 -0.504 0.000 1.092 419 T HN 0.732 nan 8.240 nan 0.000 0.543 420 G N 1.074 109.756 108.800 -0.198 0.000 2.614 420 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.303 420 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.303 420 G C 0.273 175.231 174.900 0.097 0.000 1.270 420 G CA 0.483 45.532 45.100 -0.085 0.000 0.988 420 G HN 0.835 nan 8.290 nan 0.000 0.551 421 D N 0.605 121.091 120.400 0.144 0.000 2.332 421 D HA 0.056 4.696 4.640 -0.000 0.000 0.244 421 D C 1.141 177.547 176.300 0.177 0.000 1.136 421 D CA -0.088 54.060 54.000 0.248 0.000 0.884 421 D CB -0.214 40.690 40.800 0.173 0.000 0.906 421 D HN 0.358 nan 8.370 nan 0.000 0.520 422 W N 0.000 121.304 121.300 0.007 0.000 2.388 422 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 422 W CA 0.000 57.318 57.345 -0.045 0.000 1.226 422 W CB 0.000 29.414 29.460 -0.076 0.000 1.126 422 W HN 0.000 nan 8.180 nan 0.000 0.535