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 1uor_1_A DATA FIRST_RESID 4 DATA SEQUENCE KSEVAHRFKD LGEENFKALV LIAFAQYLQQ CPFEDHVKLV NEVTEFAKTc DATA SEQUENCE VADESAENcD KSLHTLFGDK LcTVATLRET YGEMADccAK QEPERNEcFL DATA SEQUENCE QHKDDNPNLP RLVRPEVDVM cTAFHDNEET FLKKYLYEIA RRHPYFYAPE DATA SEQUENCE LLFFAKRYKA AFTEccQAAD KAAcLLPKLD ELRDEGKASS AKQRLKcASL DATA SEQUENCE QKFGERAFKA WAVARLSQRF PKAEFAEVSK LVTDLTKVHT EccHGDLLEc DATA SEQUENCE ADDRADLAKY IcENQDSISS KLKEccEKPL LEKSHcIAEV ENDEMPADLP DATA SEQUENCE SLAADFVESK DVcKNYAEAK DVFLGMFLYE YARRHPDYSV VLLLRLAKTY DATA SEQUENCE ETTLEKccAA ADPHEcYAKV FDEFKPLVEE PQNLIKQNcE LFEQLGEYKF DATA SEQUENCE QNALLVRYTK KVPQVSTPTL VEVSRNLGKV GSKccKHPEA KRMPcAEDYL DATA SEQUENCE SVVLNQLcVL HEKTPVSDRV TKccTESLVN RRPcFSALEV DETYVPKEFN DATA SEQUENCE AETFTFHADI cTLSEKERQI KKQTALVELV KHKPKATKEQ LKAVMDDFAA DATA SEQUENCE FVEKccKADD KETcFAEEGK KLVAASQAAL 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.615 176.600 0.024 0.000 0.988 4 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 4 K CB 0.000 32.481 32.500 -0.031 0.000 1.064 5 S N -0.408 115.317 115.700 0.042 0.000 2.704 5 S HA 0.460 4.887 4.470 -0.071 0.000 0.305 5 S C 0.172 174.841 174.600 0.114 0.000 1.107 5 S CA -0.434 57.810 58.200 0.074 0.000 0.993 5 S CB 2.010 65.262 63.200 0.087 0.000 1.110 5 S HN 0.544 nan 8.310 nan 0.000 0.534 6 E N 0.664 120.928 120.200 0.106 0.000 2.132 6 E HA 0.126 4.433 4.350 -0.071 0.000 0.193 6 E C 2.176 178.876 176.600 0.167 0.000 0.951 6 E CA 0.808 57.283 56.400 0.125 0.000 0.843 6 E CB -1.130 28.592 29.700 0.037 0.000 0.807 6 E HN 0.464 nan 8.360 nan 0.000 0.467 7 V N 2.136 122.136 119.914 0.144 0.000 2.219 7 V HA -0.299 3.779 4.120 -0.071 0.000 0.248 7 V C 2.408 178.676 176.094 0.290 0.000 1.053 7 V CA 2.490 64.924 62.300 0.224 0.000 1.009 7 V CB -1.158 30.710 31.823 0.075 0.000 0.636 7 V HN 0.294 nan 8.190 nan 0.000 0.445 8 A N -1.409 121.516 122.820 0.176 0.000 2.015 8 A HA -0.240 4.038 4.320 -0.071 0.000 0.219 8 A C 2.182 179.933 177.584 0.279 0.000 1.163 8 A CA 1.780 53.907 52.037 0.150 0.000 0.646 8 A CB -0.960 18.075 19.000 0.058 0.000 0.806 8 A HN 0.819 nan 8.150 nan 0.000 0.448 9 H N -1.065 118.096 119.070 0.151 0.000 2.357 9 H HA -0.099 4.421 4.556 -0.060 0.000 0.301 9 H C 2.197 177.626 175.328 0.168 0.000 1.082 9 H CA 1.109 57.233 56.048 0.128 0.000 1.342 9 H CB 0.114 29.925 29.762 0.083 0.000 1.389 9 H HN 0.265 nan 8.280 nan 0.000 0.511 10 R N 0.344 120.919 120.500 0.126 0.000 2.096 10 R HA -0.117 4.181 4.340 -0.071 0.000 0.235 10 R C 2.194 178.678 176.300 0.307 0.000 1.127 10 R CA 0.965 57.127 56.100 0.104 0.000 0.968 10 R CB -1.364 29.044 30.300 0.180 0.000 0.861 10 R HN 0.344 nan 8.270 nan 0.000 0.440 11 F N 1.330 121.445 119.950 0.274 0.000 2.202 11 F HA -0.177 4.327 4.527 -0.038 0.000 0.301 11 F C 1.504 177.329 175.800 0.042 0.000 1.082 11 F CA 1.565 59.556 58.000 -0.016 0.000 1.313 11 F CB 0.101 38.891 39.000 -0.350 0.000 1.024 11 F HN -0.032 nan 8.300 nan 0.000 0.495 12 K N -0.141 120.409 120.400 0.250 0.000 2.522 12 K HA -0.009 4.269 4.320 -0.071 0.000 0.194 12 K C 0.067 176.748 176.600 0.134 0.000 1.026 12 K CA 0.830 57.237 56.287 0.200 0.000 1.119 12 K CB -0.030 32.610 32.500 0.234 0.000 0.856 12 K HN 0.401 nan 8.250 nan 0.000 0.513 13 D N -0.373 120.073 120.400 0.077 0.000 3.050 13 D HA -0.060 4.537 4.640 -0.071 0.000 0.281 13 D C 1.101 177.402 176.300 0.000 0.000 1.246 13 D CA -0.147 53.875 54.000 0.036 0.000 1.073 13 D CB -0.391 40.416 40.800 0.013 0.000 1.382 13 D HN 0.074 nan 8.370 nan 0.000 0.433 14 L N -0.580 120.630 121.223 -0.022 0.000 2.713 14 L HA 0.515 4.812 4.340 -0.071 0.000 0.245 14 L C 1.151 177.976 176.870 -0.075 0.000 1.169 14 L CA 0.080 54.893 54.840 -0.045 0.000 0.962 14 L CB -0.859 41.164 42.059 -0.060 0.000 1.161 14 L HN 0.203 nan 8.230 nan 0.000 0.427 15 G N 1.563 110.310 108.800 -0.087 0.000 2.594 15 G HA2 -0.448 3.469 3.960 -0.071 0.000 0.297 15 G HA3 -0.448 3.469 3.960 -0.071 0.000 0.297 15 G C 0.493 175.145 174.900 -0.415 0.000 1.273 15 G CA 0.930 45.944 45.100 -0.143 0.000 0.974 15 G HN 0.702 nan 8.290 nan 0.000 0.552 16 E N -1.444 118.575 120.200 -0.301 0.000 2.357 16 E HA 0.138 4.446 4.350 -0.071 0.000 0.202 16 E C 2.119 178.666 176.600 -0.088 0.000 0.855 16 E CA 0.772 56.937 56.400 -0.392 0.000 1.048 16 E CB -0.180 29.536 29.700 0.028 0.000 1.037 16 E HN 0.576 nan 8.360 nan 0.000 0.499 17 E N 0.720 120.921 120.200 0.000 0.000 2.033 17 E HA -0.228 4.080 4.350 -0.071 0.000 0.199 17 E C 1.367 178.005 176.600 0.063 0.000 1.011 17 E CA 1.613 58.055 56.400 0.069 0.000 0.815 17 E CB -0.106 29.640 29.700 0.076 0.000 0.755 17 E HN 0.244 nan 8.360 nan 0.000 0.451 18 N N -0.285 118.424 118.700 0.015 0.000 2.573 18 N HA -0.111 4.587 4.740 -0.071 0.000 0.187 18 N C 1.237 176.724 175.510 -0.038 0.000 1.107 18 N CA 0.494 53.535 53.050 -0.015 0.000 0.918 18 N CB -0.221 38.246 38.487 -0.033 0.000 0.966 18 N HN 0.211 nan 8.380 nan 0.000 0.448 19 F N 1.412 121.231 119.950 -0.217 0.000 2.220 19 F HA 0.093 4.577 4.527 -0.071 0.000 0.290 19 F C 2.146 177.897 175.800 -0.081 0.000 1.080 19 F CA 0.823 58.688 58.000 -0.226 0.000 1.318 19 F CB 0.130 38.811 39.000 -0.532 0.000 1.063 19 F HN -0.197 nan 8.300 nan 0.000 0.498 20 K N 0.028 120.573 120.400 0.242 0.000 2.113 20 K HA -0.200 4.078 4.320 -0.071 0.000 0.208 20 K C 2.100 178.751 176.600 0.086 0.000 1.047 20 K CA 1.349 57.751 56.287 0.191 0.000 0.928 20 K CB -0.366 32.243 32.500 0.181 0.000 0.716 20 K HN 0.337 nan 8.250 nan 0.000 0.446 21 A N 0.344 123.186 122.820 0.037 0.000 1.930 21 A HA -0.082 4.196 4.320 -0.071 0.000 0.215 21 A C 1.857 179.328 177.584 -0.187 0.000 1.176 21 A CA 0.857 52.871 52.037 -0.038 0.000 0.632 21 A CB -0.206 18.791 19.000 -0.006 0.000 0.819 21 A HN 0.081 nan 8.150 nan 0.000 0.445 22 L N -0.209 120.902 121.223 -0.185 0.000 1.993 22 L HA -0.058 4.239 4.340 -0.071 0.000 0.206 22 L C 2.598 179.342 176.870 -0.208 0.000 1.074 22 L CA 1.502 56.199 54.840 -0.239 0.000 0.746 22 L CB -1.367 40.526 42.059 -0.277 0.000 0.896 22 L HN 0.225 nan 8.230 nan 0.000 0.435 23 V N -0.003 119.785 119.914 -0.211 0.000 2.660 23 V HA -0.281 3.797 4.120 -0.071 0.000 0.257 23 V C 2.524 178.562 176.094 -0.093 0.000 1.088 23 V CA 1.011 63.158 62.300 -0.255 0.000 1.106 23 V CB -0.500 31.191 31.823 -0.221 0.000 0.686 23 V HN 0.344 nan 8.190 nan 0.000 0.481 24 L N 0.444 121.673 121.223 0.010 0.000 1.950 24 L HA -0.129 4.169 4.340 -0.071 0.000 0.210 24 L C 2.609 179.495 176.870 0.027 0.000 1.079 24 L CA 2.441 57.337 54.840 0.092 0.000 0.754 24 L CB -0.390 41.756 42.059 0.145 0.000 0.889 24 L HN 0.355 nan 8.230 nan 0.000 0.433 25 I N -1.037 119.477 120.570 -0.093 0.000 2.145 25 I HA -0.332 3.796 4.170 -0.071 0.000 0.244 25 I C 2.615 178.708 176.117 -0.040 0.000 1.075 25 I CA 1.693 62.925 61.300 -0.112 0.000 1.332 25 I CB -1.556 36.275 38.000 -0.281 0.000 1.033 25 I HN 0.317 nan 8.210 nan 0.000 0.410 26 A N 2.075 124.864 122.820 -0.052 0.000 1.863 26 A HA -0.267 4.011 4.320 -0.071 0.000 0.218 26 A C 2.002 179.760 177.584 0.290 0.000 1.233 26 A CA 2.501 54.573 52.037 0.059 0.000 0.655 26 A CB -1.546 17.430 19.000 -0.041 0.000 0.839 26 A HN 0.512 nan 8.150 nan 0.000 0.454 27 F N -0.691 119.354 119.950 0.160 0.000 2.546 27 F HA 0.144 4.633 4.527 -0.063 0.000 0.298 27 F C 2.170 177.959 175.800 -0.020 0.000 1.120 27 F CA 0.604 58.656 58.000 0.087 0.000 1.456 27 F CB -0.188 38.786 39.000 -0.042 0.000 1.088 27 F HN 0.284 nan 8.300 nan 0.000 0.572 28 A N -1.630 121.226 122.820 0.060 0.000 2.545 28 A HA 0.192 4.469 4.320 -0.071 0.000 0.263 28 A C 1.747 179.323 177.584 -0.014 0.000 1.202 28 A CA -0.193 51.742 52.037 -0.170 0.000 0.959 28 A CB -0.030 18.780 19.000 -0.316 0.000 1.124 28 A HN 0.290 nan 8.150 nan 0.000 0.543 29 Q N -1.196 118.617 119.800 0.022 0.000 2.061 29 Q HA -0.060 4.238 4.340 -0.071 0.000 0.195 29 Q C 1.260 177.264 176.000 0.006 0.000 0.967 29 Q CA 1.248 57.034 55.803 -0.029 0.000 0.829 29 Q CB -0.290 28.360 28.738 -0.146 0.000 0.900 29 Q HN 0.667 nan 8.270 nan 0.000 0.450 30 Y N 1.035 121.338 120.300 0.005 0.000 1.967 30 Y HA -0.312 4.194 4.550 -0.075 0.000 0.260 30 Y C 2.048 177.993 175.900 0.075 0.000 1.181 30 Y CA 1.624 59.751 58.100 0.044 0.000 1.097 30 Y CB -0.278 38.256 38.460 0.123 0.000 0.934 30 Y HN 0.093 nan 8.280 nan 0.000 0.492 31 L N -0.467 120.953 121.223 0.328 0.000 2.463 31 L HA -0.052 4.246 4.340 -0.071 0.000 0.219 31 L C 1.402 178.401 176.870 0.215 0.000 1.088 31 L CA 0.935 55.929 54.840 0.258 0.000 0.849 31 L CB -0.349 41.889 42.059 0.298 0.000 1.012 31 L HN 0.450 nan 8.230 nan 0.000 0.468 32 Q N -0.141 119.784 119.800 0.208 0.000 2.275 32 Q HA -0.353 3.944 4.340 -0.071 0.000 0.219 32 Q C 0.720 176.802 176.000 0.137 0.000 0.822 32 Q CA 1.972 57.863 55.803 0.146 0.000 1.350 32 Q CB -1.230 27.560 28.738 0.087 0.000 1.868 32 Q HN 0.618 nan 8.270 nan 0.000 0.581 33 Q N -1.140 118.748 119.800 0.147 0.000 2.445 33 Q HA 0.208 4.506 4.340 -0.071 0.000 0.257 33 Q C 0.313 176.365 176.000 0.086 0.000 0.806 33 Q CA 0.452 56.311 55.803 0.092 0.000 0.987 33 Q CB 0.637 29.395 28.738 0.033 0.000 1.248 33 Q HN 0.412 nan 8.270 nan 0.000 0.542 34 C N 4.905 124.242 119.300 0.061 0.000 2.538 34 C HA 0.114 4.532 4.460 -0.071 0.000 0.408 34 C C -1.681 173.277 174.990 -0.054 0.000 1.421 34 C CA -0.663 58.312 59.018 -0.071 0.000 1.642 34 C CB -0.710 26.870 27.740 -0.267 0.000 2.553 34 C HN 0.235 nan 8.230 nan 0.000 0.604 35 P HA -0.065 nan 4.420 nan 0.000 0.272 35 P C 0.789 178.134 177.300 0.075 0.000 1.239 35 P CA 0.021 63.139 63.100 0.029 0.000 0.807 35 P CB 0.232 31.931 31.700 -0.001 0.000 0.951 36 F N 1.112 121.064 119.950 0.003 0.000 2.051 36 F HA -0.166 4.315 4.527 -0.076 0.000 0.296 36 F C 1.991 177.804 175.800 0.023 0.000 1.122 36 F CA 1.879 59.907 58.000 0.048 0.000 1.201 36 F CB -0.989 37.992 39.000 -0.031 0.000 0.978 36 F HN 0.336 nan 8.300 nan 0.000 0.472 37 E N 0.383 120.457 120.200 -0.210 0.000 2.085 37 E HA -0.220 4.088 4.350 -0.071 0.000 0.194 37 E C 1.694 178.122 176.600 -0.287 0.000 0.994 37 E CA 1.680 57.903 56.400 -0.295 0.000 0.801 37 E CB -0.471 29.158 29.700 -0.117 0.000 0.743 37 E HN 0.479 nan 8.360 nan 0.000 0.453 38 D N -0.093 120.158 120.400 -0.248 0.000 2.160 38 D HA -0.222 4.375 4.640 -0.071 0.000 0.189 38 D C 1.707 177.823 176.300 -0.306 0.000 1.003 38 D CA 1.823 55.659 54.000 -0.273 0.000 0.846 38 D CB -0.470 40.139 40.800 -0.320 0.000 0.949 38 D HN 0.395 nan 8.370 nan 0.000 0.446 39 H N -0.640 118.266 119.070 -0.273 0.000 2.319 39 H HA -0.079 4.437 4.556 -0.066 0.000 0.299 39 H C 2.156 177.273 175.328 -0.352 0.000 1.092 39 H CA 1.423 57.298 56.048 -0.289 0.000 1.302 39 H CB 0.030 29.677 29.762 -0.191 0.000 1.373 39 H HN 0.060 nan 8.280 nan 0.000 0.497 40 V N 0.129 119.815 119.914 -0.380 0.000 2.453 40 V HA -0.161 3.916 4.120 -0.071 0.000 0.247 40 V C 2.156 178.129 176.094 -0.203 0.000 1.048 40 V CA 1.549 63.631 62.300 -0.364 0.000 1.049 40 V CB -0.511 30.944 31.823 -0.614 0.000 0.672 40 V HN 0.213 nan 8.190 nan 0.000 0.457 41 K N 0.630 120.909 120.400 -0.201 0.000 2.034 41 K HA -0.177 4.101 4.320 -0.071 0.000 0.214 41 K C 2.073 178.592 176.600 -0.135 0.000 1.051 41 K CA 1.977 58.181 56.287 -0.138 0.000 0.931 41 K CB -0.454 31.964 32.500 -0.136 0.000 0.715 41 K HN 0.460 nan 8.250 nan 0.000 0.446 42 L N 0.068 121.167 121.223 -0.206 0.000 2.131 42 L HA -0.189 4.108 4.340 -0.071 0.000 0.210 42 L C 2.245 178.987 176.870 -0.214 0.000 1.092 42 L CA 0.710 55.378 54.840 -0.286 0.000 0.759 42 L CB -0.434 41.314 42.059 -0.518 0.000 0.903 42 L HN 0.058 nan 8.230 nan 0.000 0.435 43 V N 0.220 120.067 119.914 -0.112 0.000 2.244 43 V HA -0.274 3.804 4.120 -0.071 0.000 0.244 43 V C 2.023 178.153 176.094 0.061 0.000 1.042 43 V CA 2.249 64.582 62.300 0.054 0.000 1.006 43 V CB -0.849 31.024 31.823 0.084 0.000 0.641 43 V HN 0.459 nan 8.190 nan 0.000 0.446 44 N N -0.037 118.675 118.700 0.020 0.000 2.144 44 N HA -0.275 4.422 4.740 -0.071 0.000 0.195 44 N C 1.758 177.297 175.510 0.048 0.000 1.006 44 N CA 2.050 55.120 53.050 0.034 0.000 0.880 44 N CB -0.168 38.317 38.487 -0.003 0.000 1.018 44 N HN 0.626 nan 8.380 nan 0.000 0.443 45 E N -0.321 119.898 120.200 0.031 0.000 2.033 45 E HA -0.043 4.265 4.350 -0.071 0.000 0.189 45 E C 2.042 178.717 176.600 0.125 0.000 0.979 45 E CA 0.706 57.141 56.400 0.059 0.000 0.802 45 E CB 0.067 29.782 29.700 0.026 0.000 0.763 45 E HN 0.065 nan 8.360 nan 0.000 0.449 46 V N 1.463 121.446 119.914 0.115 0.000 2.220 46 V HA -0.375 3.703 4.120 -0.071 0.000 0.250 46 V C 2.286 178.505 176.094 0.207 0.000 1.056 46 V CA 2.446 64.840 62.300 0.158 0.000 1.016 46 V CB -1.371 30.562 31.823 0.184 0.000 0.639 46 V HN 0.373 nan 8.190 nan 0.000 0.446 47 T N -0.639 114.058 114.554 0.240 0.000 2.680 47 T HA -0.270 4.037 4.350 -0.071 0.000 0.268 47 T C 1.462 176.190 174.700 0.047 0.000 1.033 47 T CA 1.904 64.145 62.100 0.234 0.000 1.152 47 T CB -0.321 68.681 68.868 0.223 0.000 0.859 47 T HN 0.615 nan 8.240 nan 0.000 0.452 48 E N 0.026 120.264 120.200 0.063 0.000 2.831 48 E HA -0.053 4.254 4.350 -0.071 0.000 0.380 48 E C 1.504 178.117 176.600 0.020 0.000 0.805 48 E CA 0.554 56.966 56.400 0.019 0.000 2.277 48 E CB -0.388 29.341 29.700 0.048 0.000 1.035 48 E HN 0.227 nan 8.360 nan 0.000 0.559 49 F N 0.445 120.335 119.950 -0.100 0.000 1.959 49 F HA -0.438 4.048 4.527 -0.068 0.000 0.228 49 F C 2.077 177.782 175.800 -0.158 0.000 1.084 49 F CA 2.214 60.162 58.000 -0.087 0.000 1.733 49 F CB -1.514 37.475 39.000 -0.019 0.000 0.762 49 F HN 0.328 nan 8.300 nan 0.000 0.397 50 A N -0.892 121.954 122.820 0.044 0.000 1.903 50 A HA -0.320 3.957 4.320 -0.071 0.000 0.219 50 A C 2.187 179.506 177.584 -0.441 0.000 1.191 50 A CA 2.537 54.396 52.037 -0.295 0.000 0.638 50 A CB -0.838 17.719 19.000 -0.738 0.000 0.823 50 A HN 0.626 nan 8.150 nan 0.000 0.451 51 K N -1.608 118.458 120.400 -0.557 0.000 2.152 51 K HA -0.105 4.173 4.320 -0.071 0.000 0.206 51 K C 1.995 178.476 176.600 -0.198 0.000 1.048 51 K CA 1.638 57.665 56.287 -0.433 0.000 0.933 51 K CB -0.291 32.010 32.500 -0.332 0.000 0.721 51 K HN 0.453 nan 8.250 nan 0.000 0.447 52 T N -0.411 114.076 114.554 -0.111 0.000 3.043 52 T HA -0.035 4.273 4.350 -0.071 0.000 0.263 52 T C 1.531 176.218 174.700 -0.021 0.000 1.094 52 T CA 0.612 62.668 62.100 -0.073 0.000 1.127 52 T CB -0.047 68.753 68.868 -0.114 0.000 0.905 52 T HN 0.308 nan 8.240 nan 0.000 0.490 53 c N 0.377 119.001 118.600 0.041 0.000 2.563 53 c HA 0.220 4.747 4.570 -0.071 0.000 0.268 53 c C 2.595 176.690 174.090 0.009 0.000 1.365 53 c CA -0.427 55.935 56.329 0.056 0.000 1.754 53 c CB -0.992 41.595 42.510 0.130 0.000 1.932 53 c HN 0.327 nan 8.230 nan 0.000 0.536 54 V N 1.940 121.824 119.914 -0.050 0.000 2.255 54 V HA -0.282 3.795 4.120 -0.071 0.000 0.247 54 V C 2.803 178.880 176.094 -0.030 0.000 1.051 54 V CA 2.511 64.780 62.300 -0.052 0.000 1.018 54 V CB -1.156 30.587 31.823 -0.134 0.000 0.641 54 V HN 0.580 nan 8.190 nan 0.000 0.445 55 A N -1.269 121.525 122.820 -0.044 0.000 1.908 55 A HA -0.182 4.096 4.320 -0.071 0.000 0.218 55 A C 1.069 178.643 177.584 -0.017 0.000 1.181 55 A CA 2.159 54.177 52.037 -0.032 0.000 0.627 55 A CB -0.203 18.772 19.000 -0.043 0.000 0.818 55 A HN 0.583 nan 8.150 nan 0.000 0.445 56 D N -2.428 117.965 120.400 -0.011 0.000 2.333 56 D HA 0.238 4.835 4.640 -0.071 0.000 0.225 56 D C 0.619 176.927 176.300 0.013 0.000 1.345 56 D CA -0.347 53.651 54.000 -0.002 0.000 0.971 56 D CB 0.810 41.604 40.800 -0.010 0.000 1.451 56 D HN 0.207 nan 8.370 nan 0.000 0.561 57 E N 0.601 120.812 120.200 0.018 0.000 2.082 57 E HA -0.240 4.068 4.350 -0.071 0.000 0.215 57 E C 1.364 177.984 176.600 0.033 0.000 1.048 57 E CA 1.642 58.060 56.400 0.030 0.000 0.869 57 E CB -0.362 29.349 29.700 0.017 0.000 0.773 57 E HN 0.391 nan 8.360 nan 0.000 0.466 58 S N 1.319 117.030 115.700 0.018 0.000 2.528 58 S HA 0.024 4.451 4.470 -0.071 0.000 0.244 58 S C 0.993 175.603 174.600 0.016 0.000 0.982 58 S CA 0.456 58.666 58.200 0.016 0.000 0.953 58 S CB -0.359 62.845 63.200 0.007 0.000 0.754 58 S HN 0.429 nan 8.310 nan 0.000 0.529 59 A N 1.957 124.787 122.820 0.017 0.000 2.445 59 A HA 0.230 4.508 4.320 -0.071 0.000 0.242 59 A C 0.461 178.059 177.584 0.023 0.000 1.075 59 A CA -0.460 51.580 52.037 0.005 0.000 0.777 59 A CB -0.013 18.979 19.000 -0.013 0.000 1.013 59 A HN 0.460 nan 8.150 nan 0.000 0.493 60 E N 2.415 122.618 120.200 0.005 0.000 2.653 60 E HA -0.159 4.149 4.350 -0.071 0.000 0.264 60 E C 0.982 177.621 176.600 0.065 0.000 0.949 60 E CA 1.014 57.426 56.400 0.021 0.000 0.953 60 E CB -0.029 29.669 29.700 -0.004 0.000 0.925 60 E HN 0.926 nan 8.360 nan 0.000 0.475 61 N N 1.854 120.610 118.700 0.095 0.000 2.857 61 N HA -0.331 4.366 4.740 -0.071 0.000 0.242 61 N C 0.781 176.435 175.510 0.240 0.000 0.983 61 N CA 1.120 54.266 53.050 0.160 0.000 0.934 61 N CB -2.425 36.177 38.487 0.192 0.000 1.115 61 N HN 0.502 nan 8.380 nan 0.000 0.593 62 c N 0.685 119.422 118.600 0.228 0.000 2.396 62 c HA -0.148 4.380 4.570 -0.071 0.000 0.277 62 c C 2.008 176.166 174.090 0.114 0.000 1.231 62 c CA 1.594 58.046 56.329 0.204 0.000 1.775 62 c CB -1.481 41.120 42.510 0.151 0.000 2.036 62 c HN 0.520 nan 8.230 nan 0.000 0.484 63 D N 0.262 120.718 120.400 0.093 0.000 2.411 63 D HA -0.037 4.561 4.640 -0.071 0.000 0.226 63 D C 0.784 177.115 176.300 0.052 0.000 0.988 63 D CA 0.876 54.913 54.000 0.062 0.000 0.938 63 D CB -0.187 40.644 40.800 0.052 0.000 0.883 63 D HN 0.386 nan 8.370 nan 0.000 0.525 64 K N 0.067 120.502 120.400 0.059 0.000 2.489 64 K HA 0.082 4.360 4.320 -0.071 0.000 0.278 64 K C 0.135 176.745 176.600 0.018 0.000 1.000 64 K CA 0.146 56.456 56.287 0.040 0.000 1.012 64 K CB 0.563 33.082 32.500 0.032 0.000 0.903 64 K HN -0.219 nan 8.250 nan 0.000 0.485 65 S N 5.182 120.888 115.700 0.010 0.000 3.072 65 S HA 0.035 4.463 4.470 -0.071 0.000 0.306 65 S C 0.983 175.551 174.600 -0.053 0.000 1.207 65 S CA -0.345 57.846 58.200 -0.015 0.000 1.008 65 S CB -0.405 62.792 63.200 -0.005 0.000 1.390 65 S HN 0.562 nan 8.310 nan 0.000 0.523 66 L N 3.737 124.910 121.223 -0.082 0.000 3.449 66 L HA -0.438 3.859 4.340 -0.071 0.000 0.099 66 L C 1.667 178.417 176.870 -0.199 0.000 4.309 66 L CA 2.776 57.518 54.840 -0.163 0.000 0.732 66 L CB -2.032 39.841 42.059 -0.311 0.000 3.457 66 L HN 0.798 nan 8.230 nan 0.000 0.612 67 H N -0.909 117.963 119.070 -0.330 0.000 2.297 67 H HA -0.223 4.292 4.556 -0.069 0.000 0.289 67 H C 1.957 177.197 175.328 -0.148 0.000 1.105 67 H CA 2.311 58.135 56.048 -0.374 0.000 1.219 67 H CB -0.303 29.308 29.762 -0.252 0.000 1.351 67 H HN 0.729 nan 8.280 nan 0.000 0.481 68 T N 1.616 116.211 114.554 0.067 0.000 2.760 68 T HA -0.217 4.091 4.350 -0.071 0.000 0.269 68 T C 1.968 176.724 174.700 0.093 0.000 1.047 68 T CA 1.077 63.215 62.100 0.062 0.000 1.139 68 T CB -0.233 68.662 68.868 0.044 0.000 0.855 68 T HN 0.176 nan 8.240 nan 0.000 0.471 69 L N 0.082 121.373 121.223 0.113 0.000 1.913 69 L HA -0.029 4.269 4.340 -0.071 0.000 0.217 69 L C 2.302 179.349 176.870 0.295 0.000 1.086 69 L CA 1.916 56.855 54.840 0.166 0.000 0.772 69 L CB -1.007 41.127 42.059 0.124 0.000 0.887 69 L HN 0.167 nan 8.230 nan 0.000 0.432 70 F N 0.682 120.685 119.950 0.090 0.000 2.064 70 F HA -0.310 4.168 4.527 -0.081 0.000 0.293 70 F C 2.540 178.399 175.800 0.099 0.000 1.086 70 F CA 1.758 59.870 58.000 0.188 0.000 1.242 70 F CB -1.749 37.297 39.000 0.078 0.000 0.970 70 F HN 0.288 nan 8.300 nan 0.000 0.494 71 G N -1.053 107.887 108.800 0.233 0.000 2.440 71 G HA2 -0.224 3.693 3.960 -0.071 0.000 0.218 71 G HA3 -0.224 3.693 3.960 -0.071 0.000 0.218 71 G C 1.146 176.098 174.900 0.087 0.000 1.154 71 G CA 1.310 46.470 45.100 0.100 0.000 0.767 71 G HN 0.346 nan 8.290 nan 0.000 0.552 72 D N -0.203 120.257 120.400 0.100 0.000 2.340 72 D HA 0.134 4.731 4.640 -0.071 0.000 0.217 72 D C 0.595 176.937 176.300 0.069 0.000 1.081 72 D CA 0.388 54.433 54.000 0.075 0.000 0.842 72 D CB 0.494 41.337 40.800 0.073 0.000 0.934 72 D HN 0.204 nan 8.370 nan 0.000 0.511 73 K N 0.706 121.153 120.400 0.079 0.000 3.098 73 K HA 0.318 4.595 4.320 -0.071 0.000 0.170 73 K C -0.008 176.555 176.600 -0.062 0.000 1.106 73 K CA -0.021 56.278 56.287 0.020 0.000 0.864 73 K CB 1.562 34.089 32.500 0.044 0.000 1.047 73 K HN 0.016 nan 8.250 nan 0.000 0.609 74 L N -1.554 119.629 121.223 -0.068 0.000 1.301 74 L HA -0.019 4.278 4.340 -0.071 0.000 0.088 74 L C 1.547 178.379 176.870 -0.063 0.000 1.466 74 L CA 0.117 54.892 54.840 -0.109 0.000 1.141 74 L CB -0.110 41.970 42.059 0.035 0.000 2.338 74 L HN 0.342 nan 8.230 nan 0.000 0.453 75 c N 1.060 119.653 118.600 -0.011 0.000 2.403 75 c HA -0.156 4.372 4.570 -0.071 0.000 0.279 75 c C 2.405 176.483 174.090 -0.019 0.000 1.269 75 c CA 1.910 58.239 56.329 -0.000 0.000 1.774 75 c CB -1.010 41.513 42.510 0.022 0.000 1.993 75 c HN 0.687 nan 8.230 nan 0.000 0.496 76 T N -0.819 113.716 114.554 -0.032 0.000 2.571 76 T HA -0.185 4.122 4.350 -0.071 0.000 0.225 76 T C 1.459 176.128 174.700 -0.052 0.000 1.319 76 T CA 1.440 63.518 62.100 -0.036 0.000 1.602 76 T CB -0.722 68.123 68.868 -0.039 0.000 0.979 76 T HN 0.212 nan 8.240 nan 0.000 0.379 77 V N 0.777 120.646 119.914 -0.075 0.000 3.650 77 V HA 0.359 4.437 4.120 -0.071 0.000 0.271 77 V C 2.400 178.428 176.094 -0.111 0.000 1.281 77 V CA 0.713 62.964 62.300 -0.082 0.000 1.120 77 V CB -0.814 30.961 31.823 -0.080 0.000 0.856 77 V HN 0.709 nan 8.190 nan 0.000 0.443 78 A N 0.257 122.994 122.820 -0.138 0.000 1.845 78 A HA -0.182 4.095 4.320 -0.071 0.000 0.215 78 A C 2.317 179.834 177.584 -0.112 0.000 1.195 78 A CA 2.744 54.681 52.037 -0.168 0.000 0.616 78 A CB -0.959 17.931 19.000 -0.183 0.000 0.832 78 A HN 0.510 nan 8.150 nan 0.000 0.443 79 T N 0.473 114.984 114.554 -0.071 0.000 2.851 79 T HA -0.016 4.292 4.350 -0.071 0.000 0.262 79 T C 1.885 176.570 174.700 -0.026 0.000 1.043 79 T CA 1.340 63.418 62.100 -0.036 0.000 1.140 79 T CB -0.530 68.332 68.868 -0.010 0.000 0.872 79 T HN 0.550 nan 8.240 nan 0.000 0.446 80 L N 0.276 121.482 121.223 -0.029 0.000 2.376 80 L HA 0.265 4.562 4.340 -0.071 0.000 0.219 80 L C 2.375 179.227 176.870 -0.030 0.000 1.133 80 L CA 1.156 55.982 54.840 -0.023 0.000 0.816 80 L CB -0.374 41.672 42.059 -0.022 0.000 0.933 80 L HN -0.023 nan 8.230 nan 0.000 0.449 81 R N 1.157 121.632 120.500 -0.041 0.000 2.236 81 R HA -0.082 4.216 4.340 -0.071 0.000 0.208 81 R C 0.670 176.956 176.300 -0.025 0.000 1.036 81 R CA 0.874 56.950 56.100 -0.041 0.000 1.001 81 R CB 0.089 30.352 30.300 -0.060 0.000 0.896 81 R HN 0.652 nan 8.270 nan 0.000 0.464 82 E N 0.648 120.835 120.200 -0.022 0.000 2.373 82 E HA 0.062 4.369 4.350 -0.071 0.000 0.233 82 E C -1.408 175.214 176.600 0.035 0.000 1.035 82 E CA -0.464 55.940 56.400 0.007 0.000 0.930 82 E CB 0.699 30.386 29.700 -0.022 0.000 1.278 82 E HN 0.072 nan 8.360 nan 0.000 0.452 83 T N 1.278 115.863 114.554 0.052 0.000 3.060 83 T HA 0.336 4.644 4.350 -0.071 0.000 0.367 83 T C -0.466 174.273 174.700 0.065 0.000 1.229 83 T CA -0.547 61.570 62.100 0.030 0.000 1.104 83 T CB 0.140 68.989 68.868 -0.032 0.000 1.083 83 T HN 0.406 nan 8.240 nan 0.000 0.524 84 Y N 1.676 121.966 120.300 -0.017 0.000 2.856 84 Y HA 0.527 5.034 4.550 -0.071 0.000 0.252 84 Y C 1.264 177.158 175.900 -0.010 0.000 1.145 84 Y CA 0.319 58.411 58.100 -0.013 0.000 1.204 84 Y CB 0.975 39.426 38.460 -0.014 0.000 1.403 84 Y HN 0.903 nan 8.280 nan 0.000 0.462 85 G N 1.039 109.943 108.800 0.174 0.000 2.329 85 G HA2 0.215 4.132 3.960 -0.071 0.000 0.234 85 G HA3 0.215 4.132 3.960 -0.071 0.000 0.234 85 G C -0.415 174.502 174.900 0.028 0.000 2.693 85 G CA 0.226 45.383 45.100 0.096 0.000 1.036 85 G HN 0.088 nan 8.290 nan 0.000 0.602 86 E N 0.493 120.667 120.200 -0.045 0.000 2.926 86 E HA 0.184 4.492 4.350 -0.071 0.000 0.232 86 E C 1.255 177.605 176.600 -0.416 0.000 1.095 86 E CA 0.217 56.536 56.400 -0.134 0.000 1.755 86 E CB -0.165 29.455 29.700 -0.133 0.000 2.411 86 E HN 0.354 nan 8.360 nan 0.000 1.046 87 M N 2.276 121.599 119.600 -0.461 0.000 3.042 87 M HA 0.317 4.755 4.480 -0.071 0.000 0.283 87 M C -0.085 176.144 176.300 -0.118 0.000 1.473 87 M CA -0.061 54.830 55.300 -0.683 0.000 1.583 87 M CB 0.211 32.599 32.600 -0.355 0.000 1.221 87 M HN 0.206 nan 8.290 nan 0.000 0.518 88 A N 2.955 125.884 122.820 0.180 0.000 2.993 88 A HA 0.090 4.368 4.320 -0.071 0.000 0.281 88 A C 0.134 177.936 177.584 0.363 0.000 1.847 88 A CA -0.200 52.036 52.037 0.332 0.000 1.470 88 A CB -0.963 18.265 19.000 0.380 0.000 1.028 88 A HN 0.774 nan 8.150 nan 0.000 0.604 89 D N -0.181 120.361 120.400 0.236 0.000 2.554 89 D HA -0.173 4.425 4.640 -0.071 0.000 0.122 89 D C 0.460 176.886 176.300 0.210 0.000 0.976 89 D CA 1.711 55.836 54.000 0.207 0.000 0.531 89 D CB 0.190 41.057 40.800 0.112 0.000 0.941 89 D HN 0.535 nan 8.370 nan 0.000 0.391 90 c N 3.166 121.873 118.600 0.178 0.000 3.254 90 c HA 0.328 4.855 4.570 -0.071 0.000 0.264 90 c C 0.795 174.932 174.090 0.078 0.000 2.396 90 c CA -0.549 55.858 56.329 0.131 0.000 1.468 90 c CB -1.201 41.438 42.510 0.215 0.000 2.871 90 c HN 0.745 nan 8.230 nan 0.000 0.480 91 c N 0.316 118.953 118.600 0.061 0.000 3.000 91 c HA 0.611 5.139 4.570 -0.071 0.000 0.286 91 c C 2.193 176.299 174.090 0.027 0.000 1.343 91 c CA 0.069 56.422 56.329 0.040 0.000 1.742 91 c CB -1.833 40.700 42.510 0.040 0.000 2.200 91 c HN 0.831 nan 8.230 nan 0.000 0.621 92 A N 2.589 125.424 122.820 0.025 0.000 2.950 92 A HA -0.243 4.035 4.320 -0.071 0.000 0.849 92 A C 1.203 178.794 177.584 0.012 0.000 0.564 92 A CA 1.332 53.378 52.037 0.016 0.000 2.911 92 A CB -0.443 18.561 19.000 0.007 0.000 1.453 92 A HN 0.617 nan 8.150 nan 0.000 0.888 93 K N 0.738 121.141 120.400 0.006 0.000 3.006 93 K HA 0.117 4.395 4.320 -0.071 0.000 0.265 93 K C 0.071 176.674 176.600 0.004 0.000 1.279 93 K CA 0.386 56.676 56.287 0.005 0.000 1.229 93 K CB -0.436 32.066 32.500 0.003 0.000 1.555 93 K HN 0.606 nan 8.250 nan 0.000 0.300 94 Q N 1.968 121.772 119.800 0.007 0.000 2.434 94 Q HA -0.246 4.052 4.340 -0.071 0.000 0.268 94 Q C -1.191 174.810 176.000 0.001 0.000 1.273 94 Q CA 1.170 56.978 55.803 0.008 0.000 0.861 94 Q CB -0.524 28.223 28.738 0.014 0.000 0.952 94 Q HN 0.604 nan 8.270 nan 0.000 0.301 95 E N 2.526 122.721 120.200 -0.007 0.000 2.354 95 E HA 0.355 4.663 4.350 -0.071 0.000 0.283 95 E C -2.418 174.162 176.600 -0.034 0.000 0.938 95 E CA -1.875 54.516 56.400 -0.016 0.000 0.777 95 E CB 1.532 31.223 29.700 -0.015 0.000 1.222 95 E HN 0.057 nan 8.360 nan 0.000 0.423 96 P HA -0.385 nan 4.420 nan 0.000 0.232 96 P C 0.627 177.890 177.300 -0.061 0.000 0.768 96 P CA 1.896 64.963 63.100 -0.054 0.000 1.075 96 P CB -0.001 31.678 31.700 -0.035 0.000 0.715 97 E N -0.327 119.851 120.200 -0.038 0.000 2.401 97 E HA -0.163 4.145 4.350 -0.071 0.000 0.203 97 E C 1.944 178.526 176.600 -0.032 0.000 1.229 97 E CA -0.030 56.352 56.400 -0.031 0.000 1.000 97 E CB -0.179 29.508 29.700 -0.022 0.000 1.052 97 E HN 0.298 nan 8.360 nan 0.000 0.497 98 R N -0.618 119.855 120.500 -0.045 0.000 2.062 98 R HA -0.016 4.282 4.340 -0.071 0.000 0.218 98 R C 1.725 177.997 176.300 -0.048 0.000 1.161 98 R CA 1.055 57.135 56.100 -0.034 0.000 0.994 98 R CB -0.678 29.601 30.300 -0.035 0.000 0.888 98 R HN 0.051 nan 8.270 nan 0.000 0.442 99 N N 0.509 119.141 118.700 -0.113 0.000 2.060 99 N HA -0.224 4.474 4.740 -0.071 0.000 0.195 99 N C 1.354 176.814 175.510 -0.082 0.000 1.028 99 N CA 2.179 55.143 53.050 -0.143 0.000 0.861 99 N CB 0.081 38.387 38.487 -0.302 0.000 1.029 99 N HN 0.365 nan 8.380 nan 0.000 0.428 100 E N 0.109 120.266 120.200 -0.072 0.000 1.996 100 E HA -0.202 4.106 4.350 -0.071 0.000 0.197 100 E C 2.363 178.956 176.600 -0.012 0.000 1.002 100 E CA 1.511 57.887 56.400 -0.039 0.000 0.840 100 E CB -0.777 28.968 29.700 0.075 0.000 0.786 100 E HN 0.600 nan 8.360 nan 0.000 0.469 101 c N 0.026 118.654 118.600 0.045 0.000 2.391 101 c HA -0.150 4.377 4.570 -0.071 0.000 0.276 101 c C 2.059 176.144 174.090 -0.008 0.000 1.217 101 c CA 0.794 57.123 56.329 0.001 0.000 1.766 101 c CB -0.822 41.590 42.510 -0.163 0.000 2.046 101 c HN 0.363 nan 8.230 nan 0.000 0.475 102 F N -0.407 119.622 119.950 0.132 0.000 2.767 102 F HA 0.394 4.878 4.527 -0.072 0.000 0.329 102 F C 2.008 177.849 175.800 0.069 0.000 0.912 102 F CA -0.136 57.940 58.000 0.126 0.000 1.115 102 F CB -0.545 38.523 39.000 0.112 0.000 0.936 102 F HN 0.061 nan 8.300 nan 0.000 0.624 103 L N -0.309 121.062 121.223 0.247 0.000 2.141 103 L HA -0.100 4.198 4.340 -0.071 0.000 0.209 103 L C 1.752 178.829 176.870 0.345 0.000 1.094 103 L CA 1.190 56.179 54.840 0.249 0.000 0.763 103 L CB -0.435 41.684 42.059 0.100 0.000 0.908 103 L HN 0.089 nan 8.230 nan 0.000 0.437 104 Q N -0.050 119.780 119.800 0.049 0.000 2.217 104 Q HA 0.036 4.333 4.340 -0.071 0.000 0.226 104 Q C -0.432 175.213 176.000 -0.593 0.000 0.875 104 Q CA 0.157 55.839 55.803 -0.202 0.000 0.974 104 Q CB 0.170 28.773 28.738 -0.225 0.000 1.079 104 Q HN 0.583 nan 8.270 nan 0.000 0.463 105 H N -0.045 119.142 119.070 0.195 0.000 2.471 105 H HA 0.195 4.709 4.556 -0.069 0.000 0.234 105 H C -0.660 174.763 175.328 0.159 0.000 1.388 105 H CA -0.495 55.677 56.048 0.206 0.000 1.198 105 H CB 0.333 30.284 29.762 0.317 0.000 1.714 105 H HN -0.008 nan 8.280 nan 0.000 0.536 106 K N 1.989 122.445 120.400 0.093 0.000 2.790 106 K HA -0.232 4.045 4.320 -0.071 0.000 0.244 106 K C -0.014 176.707 176.600 0.202 0.000 1.188 106 K CA 0.529 56.856 56.287 0.067 0.000 1.186 106 K CB -0.002 32.400 32.500 -0.164 0.000 1.014 106 K HN 0.576 nan 8.250 nan 0.000 0.523 107 D N 1.803 122.296 120.400 0.155 0.000 2.474 107 D HA -0.113 4.485 4.640 -0.071 0.000 0.232 107 D C 0.379 176.775 176.300 0.161 0.000 1.177 107 D CA 0.633 54.716 54.000 0.138 0.000 0.876 107 D CB 0.772 41.620 40.800 0.081 0.000 1.208 107 D HN 0.419 nan 8.370 nan 0.000 0.464 108 D N 1.213 121.704 120.400 0.152 0.000 3.009 108 D HA 0.052 4.650 4.640 -0.071 0.000 0.243 108 D C 1.245 177.601 176.300 0.094 0.000 1.204 108 D CA -0.262 53.844 54.000 0.176 0.000 1.171 108 D CB -0.047 40.836 40.800 0.137 0.000 0.954 108 D HN 0.451 nan 8.370 nan 0.000 0.241 109 N N 0.055 118.786 118.700 0.051 0.000 2.009 109 N HA -0.090 4.607 4.740 -0.071 0.000 0.186 109 N C -1.934 173.560 175.510 -0.027 0.000 1.105 109 N CA 0.421 53.473 53.050 0.002 0.000 0.907 109 N CB -1.004 37.479 38.487 -0.007 0.000 1.046 109 N HN 0.070 nan 8.380 nan 0.000 0.433 110 P HA -0.141 nan 4.420 nan 0.000 0.055 110 P C -0.826 176.477 177.300 0.006 0.000 0.646 110 P CA 0.535 63.624 63.100 -0.018 0.000 1.019 110 P CB -1.464 30.218 31.700 -0.030 0.000 1.716 111 N N -0.068 118.635 118.700 0.005 0.000 2.292 111 N HA 0.190 4.888 4.740 -0.071 0.000 0.278 111 N C 0.580 176.090 175.510 0.001 0.000 1.289 111 N CA -0.949 52.109 53.050 0.012 0.000 0.934 111 N CB 0.364 38.861 38.487 0.017 0.000 1.069 111 N HN 0.019 nan 8.380 nan 0.000 0.513 112 L N -0.480 120.745 121.223 0.003 0.000 2.630 112 L HA 0.357 4.654 4.340 -0.071 0.000 0.170 112 L C -1.903 174.966 176.870 -0.002 0.000 1.724 112 L CA -1.254 53.584 54.840 -0.004 0.000 3.098 112 L CB -0.179 41.873 42.059 -0.011 0.000 2.970 112 L HN 0.519 nan 8.230 nan 0.000 0.834 113 P HA 0.178 nan 4.420 nan 0.000 0.269 113 P C -0.910 176.406 177.300 0.026 0.000 1.215 113 P CA 0.238 63.342 63.100 0.008 0.000 0.780 113 P CB 1.046 32.751 31.700 0.008 0.000 0.898 114 R N 0.048 120.561 120.500 0.021 0.000 2.517 114 R HA 0.134 4.431 4.340 -0.071 0.000 0.076 114 R C 1.947 178.242 176.300 -0.008 0.000 0.836 114 R CA -0.354 55.752 56.100 0.010 0.000 2.702 114 R CB -0.702 29.587 30.300 -0.019 0.000 1.407 114 R HN 0.222 nan 8.270 nan 0.000 0.512 115 L N 2.708 123.926 121.223 -0.008 0.000 2.010 115 L HA -0.182 4.116 4.340 -0.071 0.000 0.219 115 L C 1.271 178.128 176.870 -0.021 0.000 1.077 115 L CA 2.158 56.987 54.840 -0.018 0.000 0.773 115 L CB -0.408 41.643 42.059 -0.012 0.000 0.892 115 L HN 0.066 nan 8.230 nan 0.000 0.436 116 V N -1.543 118.379 119.914 0.013 0.000 4.122 116 V HA -0.001 4.077 4.120 -0.071 0.000 0.297 116 V C 0.662 176.752 176.094 -0.007 0.000 1.052 116 V CA 0.081 62.404 62.300 0.038 0.000 1.130 116 V CB 0.187 32.077 31.823 0.111 0.000 1.165 116 V HN 0.619 nan 8.190 nan 0.000 0.472 117 R N -1.446 119.089 120.500 0.057 0.000 3.431 117 R HA 0.364 4.662 4.340 -0.071 0.000 0.267 117 R C -2.759 173.619 176.300 0.130 0.000 0.910 117 R CA -0.272 55.826 56.100 -0.003 0.000 0.782 117 R CB -0.424 29.794 30.300 -0.136 0.000 1.663 117 R HN 0.788 nan 8.270 nan 0.000 0.451 118 P HA 0.275 nan 4.420 nan 0.000 0.282 118 P C -0.894 176.443 177.300 0.061 0.000 1.286 118 P CA 0.097 63.261 63.100 0.106 0.000 0.777 118 P CB 0.596 32.380 31.700 0.140 0.000 1.184 119 E N -2.111 118.123 120.200 0.057 0.000 2.094 119 E HA 0.070 4.378 4.350 -0.071 0.000 0.237 119 E C 1.322 177.938 176.600 0.027 0.000 1.460 119 E CA -0.249 56.173 56.400 0.036 0.000 0.965 119 E CB 0.653 30.370 29.700 0.029 0.000 1.641 119 E HN 0.027 nan 8.360 nan 0.000 0.532 120 V N 0.190 120.114 119.914 0.018 0.000 2.223 120 V HA -0.351 3.727 4.120 -0.071 0.000 0.253 120 V C 1.376 177.472 176.094 0.003 0.000 1.061 120 V CA 3.165 65.470 62.300 0.009 0.000 1.035 120 V CB -1.235 30.592 31.823 0.006 0.000 0.653 120 V HN 0.713 nan 8.190 nan 0.000 0.454 121 D N -0.410 119.993 120.400 0.005 0.000 2.469 121 D HA 0.109 4.707 4.640 -0.071 0.000 0.240 121 D C 1.698 177.998 176.300 0.000 0.000 1.087 121 D CA 0.714 54.713 54.000 -0.002 0.000 0.876 121 D CB 0.332 41.134 40.800 0.003 0.000 1.160 121 D HN 0.463 nan 8.370 nan 0.000 0.497 122 V N 0.909 120.835 119.914 0.019 0.000 3.235 122 V HA 0.039 4.116 4.120 -0.071 0.000 0.259 122 V C 1.871 177.985 176.094 0.034 0.000 1.133 122 V CA 0.855 63.177 62.300 0.036 0.000 1.128 122 V CB -0.284 31.566 31.823 0.046 0.000 0.757 122 V HN 0.308 nan 8.190 nan 0.000 0.469 123 M N 0.786 120.407 119.600 0.035 0.000 2.460 123 M HA 0.011 4.449 4.480 -0.071 0.000 0.263 123 M C 1.391 177.749 176.300 0.096 0.000 1.071 123 M CA 1.497 56.860 55.300 0.106 0.000 1.096 123 M CB -2.041 30.668 32.600 0.183 0.000 1.408 123 M HN 0.545 nan 8.290 nan 0.000 0.463 124 c N 4.340 122.828 118.600 -0.186 0.000 2.667 124 c HA 0.393 4.920 4.570 -0.071 0.000 0.385 124 c C 0.377 174.213 174.090 -0.424 0.000 1.299 124 c CA 0.492 56.513 56.329 -0.513 0.000 1.554 124 c CB -1.499 40.790 42.510 -0.367 0.000 2.275 124 c HN 0.635 nan 8.230 nan 0.000 0.588 125 T N 4.263 118.561 114.554 -0.427 0.000 4.143 125 T HA 0.263 4.571 4.350 -0.071 0.000 0.306 125 T C 0.101 174.500 174.700 -0.503 0.000 0.925 125 T CA 0.250 62.011 62.100 -0.564 0.000 1.014 125 T CB -0.250 68.559 68.868 -0.098 0.000 1.115 125 T HN 0.926 nan 8.240 nan 0.000 0.464 126 A N 0.951 123.394 122.820 -0.628 0.000 3.094 126 A HA 0.706 4.983 4.320 -0.071 0.000 0.288 126 A C 0.076 177.560 177.584 -0.167 0.000 1.519 126 A CA -0.209 51.659 52.037 -0.282 0.000 1.227 126 A CB -0.739 18.215 19.000 -0.077 0.000 1.175 126 A HN 0.377 nan 8.150 nan 0.000 0.568 127 F N -1.169 118.829 119.950 0.080 0.000 2.347 127 F HA 0.253 4.739 4.527 -0.067 0.000 0.266 127 F C 1.440 177.315 175.800 0.126 0.000 0.884 127 F CA 0.406 58.456 58.000 0.083 0.000 1.123 127 F CB 0.161 39.208 39.000 0.079 0.000 1.098 127 F HN 0.629 nan 8.300 nan 0.000 0.803 128 H N 0.625 119.812 119.070 0.195 0.000 3.064 128 H HA 0.327 4.842 4.556 -0.068 0.000 0.232 128 H C -1.833 173.536 175.328 0.069 0.000 1.308 128 H CA 0.103 56.219 56.048 0.114 0.000 1.010 128 H CB -0.006 29.823 29.762 0.112 0.000 2.408 128 H HN 0.400 nan 8.280 nan 0.000 0.599 129 D N -0.121 120.266 120.400 -0.021 0.000 2.855 129 D HA -0.062 4.536 4.640 -0.071 0.000 0.247 129 D C -0.293 175.983 176.300 -0.041 0.000 1.066 129 D CA -0.571 53.388 54.000 -0.069 0.000 0.758 129 D CB -0.332 40.438 40.800 -0.050 0.000 2.338 129 D HN 0.255 nan 8.370 nan 0.000 0.460 130 N N 0.208 118.915 118.700 0.013 0.000 2.181 130 N HA 0.079 4.777 4.740 -0.071 0.000 0.207 130 N C 0.850 176.393 175.510 0.056 0.000 1.182 130 N CA 0.028 53.138 53.050 0.100 0.000 0.893 130 N CB 0.160 38.827 38.487 0.300 0.000 1.032 130 N HN 0.278 nan 8.380 nan 0.000 0.513 131 E N 1.073 121.270 120.200 -0.005 0.000 2.086 131 E HA -0.126 4.182 4.350 -0.071 0.000 0.200 131 E C 0.492 176.956 176.600 -0.227 0.000 1.012 131 E CA 1.225 57.567 56.400 -0.097 0.000 0.812 131 E CB -0.127 29.572 29.700 -0.002 0.000 0.743 131 E HN 0.432 nan 8.360 nan 0.000 0.453 132 E N -0.323 119.779 120.200 -0.162 0.000 2.416 132 E HA -0.030 4.278 4.350 -0.071 0.000 0.254 132 E C 1.373 177.825 176.600 -0.247 0.000 1.241 132 E CA 0.841 57.126 56.400 -0.191 0.000 0.969 132 E CB 0.266 29.904 29.700 -0.103 0.000 0.999 132 E HN 0.359 nan 8.360 nan 0.000 0.481 133 T N 0.225 114.635 114.554 -0.241 0.000 3.807 133 T HA -0.454 3.854 4.350 -0.071 0.000 0.146 133 T C 1.507 176.011 174.700 -0.326 0.000 1.752 133 T CA 2.666 64.566 62.100 -0.333 0.000 0.978 133 T CB -1.659 66.651 68.868 -0.930 0.000 1.051 133 T HN 0.596 nan 8.240 nan 0.000 0.456 134 F N 3.384 122.971 119.950 -0.605 0.000 2.050 134 F HA -0.232 4.242 4.527 -0.090 0.000 0.294 134 F C 2.501 178.107 175.800 -0.324 0.000 1.113 134 F CA 2.684 60.446 58.000 -0.395 0.000 1.225 134 F CB -1.229 37.553 39.000 -0.364 0.000 0.953 134 F HN 0.526 nan 8.300 nan 0.000 0.501 135 L N 0.819 121.190 121.223 -1.421 0.000 1.970 135 L HA -0.184 4.114 4.340 -0.071 0.000 0.212 135 L C 2.069 178.365 176.870 -0.957 0.000 1.071 135 L CA 2.025 56.102 54.840 -1.271 0.000 0.751 135 L CB -0.696 40.908 42.059 -0.758 0.000 0.889 135 L HN 0.190 nan 8.230 nan 0.000 0.432 136 K N 0.503 120.481 120.400 -0.703 0.000 2.706 136 K HA -0.057 4.221 4.320 -0.071 0.000 0.217 136 K C 0.651 177.024 176.600 -0.379 0.000 1.019 136 K CA 0.282 56.198 56.287 -0.620 0.000 1.181 136 K CB -0.121 32.024 32.500 -0.591 0.000 0.940 136 K HN 0.473 nan 8.250 nan 0.000 0.491 137 K N -0.703 119.379 120.400 -0.530 0.000 2.520 137 K HA 0.020 4.298 4.320 -0.071 0.000 0.205 137 K C 0.084 176.366 176.600 -0.529 0.000 1.035 137 K CA 0.212 56.218 56.287 -0.469 0.000 1.188 137 K CB 0.282 32.487 32.500 -0.492 0.000 0.894 137 K HN 0.010 nan 8.250 nan 0.000 0.497 138 Y N -0.284 119.938 120.300 -0.131 0.000 2.673 138 Y HA 0.162 4.686 4.550 -0.045 0.000 0.278 138 Y C 1.309 177.190 175.900 -0.031 0.000 1.127 138 Y CA -1.020 57.022 58.100 -0.096 0.000 1.261 138 Y CB -0.248 38.154 38.460 -0.097 0.000 1.412 138 Y HN 0.025 nan 8.280 nan 0.000 0.496 139 L N 0.221 121.457 121.223 0.022 0.000 2.962 139 L HA -0.089 4.209 4.340 -0.071 0.000 0.263 139 L C -0.011 176.947 176.870 0.148 0.000 1.152 139 L CA 1.141 56.002 54.840 0.036 0.000 0.954 139 L CB -0.592 41.453 42.059 -0.022 0.000 1.213 139 L HN 0.181 nan 8.230 nan 0.000 0.422 140 Y N -1.736 118.522 120.300 -0.070 0.000 2.975 140 Y HA 0.124 4.629 4.550 -0.074 0.000 0.127 140 Y C 1.390 177.264 175.900 -0.043 0.000 0.925 140 Y CA -0.670 57.386 58.100 -0.074 0.000 1.894 140 Y CB -0.045 38.336 38.460 -0.131 0.000 1.270 140 Y HN -0.005 nan 8.280 nan 0.000 0.235 141 E N 0.867 121.075 120.200 0.014 0.000 2.445 141 E HA 0.002 4.310 4.350 -0.071 0.000 0.204 141 E C 0.137 176.748 176.600 0.018 0.000 1.194 141 E CA 0.965 57.347 56.400 -0.030 0.000 0.950 141 E CB 0.087 29.666 29.700 -0.202 0.000 0.976 141 E HN 0.251 nan 8.360 nan 0.000 0.519 142 I N -1.950 118.681 120.570 0.102 0.000 4.099 142 I HA 0.065 4.193 4.170 -0.071 0.000 0.386 142 I C 0.920 177.104 176.117 0.111 0.000 1.097 142 I CA 0.051 61.418 61.300 0.111 0.000 1.171 142 I CB -0.089 37.929 38.000 0.030 0.000 2.580 142 I HN -0.058 nan 8.210 nan 0.000 0.801 143 A N 0.348 123.236 122.820 0.114 0.000 1.920 143 A HA 0.290 4.568 4.320 -0.071 0.000 0.209 143 A C 1.204 178.826 177.584 0.064 0.000 1.229 143 A CA 0.283 52.374 52.037 0.091 0.000 0.671 143 A CB -0.062 19.009 19.000 0.119 0.000 0.886 143 A HN 0.204 nan 8.150 nan 0.000 0.461 144 R N 0.792 121.324 120.500 0.053 0.000 2.458 144 R HA 0.138 4.436 4.340 -0.071 0.000 0.303 144 R C 1.098 177.277 176.300 -0.203 0.000 1.013 144 R CA 0.645 56.720 56.100 -0.041 0.000 1.026 144 R CB -0.042 30.223 30.300 -0.059 0.000 0.948 144 R HN 0.558 nan 8.270 nan 0.000 0.417 145 R N 1.997 122.373 120.500 -0.206 0.000 3.989 145 R HA -0.290 4.008 4.340 -0.071 0.000 0.335 145 R C -1.000 174.959 176.300 -0.569 0.000 1.223 145 R CA 1.854 57.747 56.100 -0.346 0.000 0.962 145 R CB -1.700 28.362 30.300 -0.397 0.000 1.393 145 R HN 0.739 nan 8.270 nan 0.000 0.554 146 H N -1.903 117.263 119.070 0.161 0.000 2.901 146 H HA 0.290 4.805 4.556 -0.068 0.000 0.227 146 H C -2.152 173.292 175.328 0.193 0.000 1.390 146 H CA -1.883 54.308 56.048 0.239 0.000 1.120 146 H CB 1.322 31.295 29.762 0.352 0.000 2.131 146 H HN 0.182 nan 8.280 nan 0.000 0.549 147 P HA -0.058 nan 4.420 nan 0.000 0.234 147 P C 0.628 177.804 177.300 -0.207 0.000 1.167 147 P CA 1.089 64.162 63.100 -0.045 0.000 0.763 147 P CB -0.005 31.603 31.700 -0.152 0.000 0.835 148 Y N -3.184 117.189 120.300 0.122 0.000 2.509 148 Y HA 0.234 4.741 4.550 -0.072 0.000 0.270 148 Y C 1.100 177.096 175.900 0.159 0.000 1.103 148 Y CA -0.782 57.368 58.100 0.084 0.000 1.278 148 Y CB -0.762 37.722 38.460 0.040 0.000 1.087 148 Y HN -0.201 nan 8.280 nan 0.000 0.542 149 F N 1.191 121.262 119.950 0.201 0.000 2.484 149 F HA -0.264 4.214 4.527 -0.082 0.000 0.387 149 F C 0.358 176.248 175.800 0.151 0.000 0.994 149 F CA -0.187 57.907 58.000 0.157 0.000 1.223 149 F CB 0.124 39.202 39.000 0.130 0.000 0.917 149 F HN 0.110 nan 8.300 nan 0.000 0.572 150 Y N 7.758 128.338 120.300 0.465 0.000 2.636 150 Y HA 0.418 4.973 4.550 0.008 0.000 0.334 150 Y C 0.901 176.942 175.900 0.236 0.000 1.286 150 Y CA -0.828 57.394 58.100 0.204 0.000 1.688 150 Y CB -0.555 37.942 38.460 0.063 0.000 1.662 150 Y HN 0.842 nan 8.280 nan 0.000 0.465 151 A N 5.925 128.821 122.820 0.127 0.000 2.459 151 A HA -0.372 3.905 4.320 -0.071 0.000 0.278 151 A C -0.496 176.954 177.584 -0.223 0.000 3.543 151 A CA 2.487 54.458 52.037 -0.110 0.000 1.018 151 A CB -2.390 16.526 19.000 -0.139 0.000 0.454 151 A HN 0.582 nan 8.150 nan 0.000 0.404 152 P HA -0.130 nan 4.420 nan 0.000 0.219 152 P C 1.068 178.255 177.300 -0.188 0.000 1.146 152 P CA 1.678 64.582 63.100 -0.327 0.000 0.808 152 P CB -0.238 31.211 31.700 -0.419 0.000 0.779 153 E N -0.378 119.696 120.200 -0.209 0.000 2.208 153 E HA -0.036 4.271 4.350 -0.071 0.000 0.193 153 E C 2.136 178.874 176.600 0.230 0.000 0.988 153 E CA 0.395 56.859 56.400 0.107 0.000 0.828 153 E CB -0.596 29.262 29.700 0.264 0.000 0.763 153 E HN 0.331 nan 8.360 nan 0.000 0.478 154 L N 0.498 121.798 121.223 0.129 0.000 2.056 154 L HA -0.132 4.166 4.340 -0.071 0.000 0.207 154 L C 2.326 179.217 176.870 0.036 0.000 1.078 154 L CA 0.679 55.506 54.840 -0.022 0.000 0.749 154 L CB -0.219 41.654 42.059 -0.311 0.000 0.901 154 L HN 0.159 nan 8.230 nan 0.000 0.433 155 L N -1.395 119.812 121.223 -0.027 0.000 2.127 155 L HA -0.264 4.034 4.340 -0.071 0.000 0.211 155 L C 2.509 179.446 176.870 0.112 0.000 1.089 155 L CA 1.477 56.332 54.840 0.025 0.000 0.757 155 L CB -0.927 41.117 42.059 -0.026 0.000 0.899 155 L HN 0.290 nan 8.230 nan 0.000 0.434 156 F N -0.023 119.931 119.950 0.006 0.000 2.293 156 F HA -0.058 4.399 4.527 -0.117 0.000 0.297 156 F C 1.891 177.768 175.800 0.128 0.000 1.089 156 F CA 0.772 58.776 58.000 0.007 0.000 1.377 156 F CB -0.086 38.856 39.000 -0.096 0.000 1.051 156 F HN -0.128 nan 8.300 nan 0.000 0.511 157 F N 0.236 120.054 119.950 -0.220 0.000 2.692 157 F HA 0.376 4.862 4.527 -0.069 0.000 0.303 157 F C 1.860 177.585 175.800 -0.125 0.000 1.114 157 F CA -0.045 57.795 58.000 -0.266 0.000 1.361 157 F CB -1.127 37.823 39.000 -0.083 0.000 1.063 157 F HN 0.105 nan 8.300 nan 0.000 0.550 158 A N -0.380 122.521 122.820 0.135 0.000 1.881 158 A HA 0.006 4.284 4.320 -0.071 0.000 0.210 158 A C 2.243 179.922 177.584 0.158 0.000 1.239 158 A CA 0.573 52.744 52.037 0.224 0.000 0.629 158 A CB -0.168 19.047 19.000 0.359 0.000 0.906 158 A HN -0.003 nan 8.150 nan 0.000 0.460 159 K N 0.641 121.079 120.400 0.064 0.000 2.074 159 K HA -0.064 4.213 4.320 -0.071 0.000 0.209 159 K C 1.131 177.716 176.600 -0.026 0.000 1.048 159 K CA 1.115 57.399 56.287 -0.006 0.000 0.926 159 K CB -0.230 32.252 32.500 -0.029 0.000 0.713 159 K HN 0.307 nan 8.250 nan 0.000 0.444 160 R N -0.134 120.322 120.500 -0.074 0.000 3.732 160 R HA 0.019 4.316 4.340 -0.071 0.000 0.258 160 R C 0.362 176.680 176.300 0.029 0.000 1.661 160 R CA 0.140 56.208 56.100 -0.053 0.000 1.424 160 R CB -0.065 30.161 30.300 -0.123 0.000 1.308 160 R HN 0.262 nan 8.270 nan 0.000 0.634 161 Y N -0.416 119.825 120.300 -0.099 0.000 2.713 161 Y HA 0.108 4.612 4.550 -0.077 0.000 0.265 161 Y C 1.805 177.637 175.900 -0.113 0.000 1.177 161 Y CA 0.037 58.072 58.100 -0.109 0.000 1.144 161 Y CB 0.200 38.560 38.460 -0.166 0.000 1.360 161 Y HN -0.183 nan 8.280 nan 0.000 0.491 162 K N 1.384 121.753 120.400 -0.052 0.000 1.968 162 K HA -0.137 4.141 4.320 -0.071 0.000 0.222 162 K C 2.045 178.596 176.600 -0.081 0.000 1.043 162 K CA 1.675 57.860 56.287 -0.169 0.000 0.991 162 K CB -0.847 31.549 32.500 -0.174 0.000 0.744 162 K HN 0.291 nan 8.250 nan 0.000 0.445 163 A N 1.212 124.004 122.820 -0.047 0.000 2.001 163 A HA -0.298 3.979 4.320 -0.071 0.000 0.224 163 A C 2.364 179.964 177.584 0.027 0.000 1.203 163 A CA 3.045 55.075 52.037 -0.013 0.000 0.667 163 A CB -0.998 17.997 19.000 -0.007 0.000 0.823 163 A HN 0.644 nan 8.150 nan 0.000 0.473 164 A N -1.285 121.571 122.820 0.060 0.000 1.828 164 A HA 0.039 4.316 4.320 -0.071 0.000 0.215 164 A C 1.896 179.553 177.584 0.122 0.000 1.203 164 A CA 1.643 53.737 52.037 0.096 0.000 0.614 164 A CB -0.940 18.149 19.000 0.149 0.000 0.844 164 A HN 0.474 nan 8.150 nan 0.000 0.445 165 F N 1.165 121.035 119.950 -0.134 0.000 2.087 165 F HA -0.181 4.307 4.527 -0.064 0.000 0.299 165 F C 2.208 177.944 175.800 -0.106 0.000 1.100 165 F CA 1.935 59.839 58.000 -0.160 0.000 1.226 165 F CB -1.118 37.723 39.000 -0.265 0.000 0.983 165 F HN 0.124 nan 8.300 nan 0.000 0.479 166 T N -0.167 114.448 114.554 0.102 0.000 3.745 166 T HA -0.056 4.251 4.350 -0.071 0.000 0.253 166 T C 1.309 176.025 174.700 0.027 0.000 1.088 166 T CA 0.868 62.988 62.100 0.034 0.000 0.969 166 T CB -0.460 68.398 68.868 -0.017 0.000 1.075 166 T HN 0.532 nan 8.240 nan 0.000 0.608 167 E N -0.926 119.291 120.200 0.029 0.000 2.597 167 E HA 0.013 4.321 4.350 -0.071 0.000 0.256 167 E C 0.105 176.711 176.600 0.009 0.000 1.120 167 E CA -0.149 56.263 56.400 0.019 0.000 1.824 167 E CB 0.102 29.812 29.700 0.016 0.000 3.035 167 E HN 0.318 nan 8.360 nan 0.000 1.045 168 c N 2.449 121.043 118.600 -0.010 0.000 2.842 168 c HA 0.567 5.095 4.570 -0.071 0.000 0.311 168 c C 1.339 175.374 174.090 -0.093 0.000 1.312 168 c CA -0.585 55.724 56.329 -0.035 0.000 1.651 168 c CB -1.541 40.949 42.510 -0.032 0.000 1.826 168 c HN 0.638 nan 8.230 nan 0.000 0.491 169 c N 1.100 119.660 118.600 -0.066 0.000 2.533 169 c HA 0.027 4.555 4.570 -0.071 0.000 0.272 169 c C 2.288 176.381 174.090 0.003 0.000 1.371 169 c CA 0.508 56.806 56.329 -0.051 0.000 1.758 169 c CB -1.028 41.545 42.510 0.105 0.000 1.972 169 c HN 0.932 nan 8.230 nan 0.000 0.522 170 Q N 1.257 121.063 119.800 0.010 0.000 0.829 170 Q HA -0.168 4.130 4.340 -0.071 0.000 0.832 170 Q C 2.151 178.148 176.000 -0.005 0.000 0.896 170 Q CA 2.422 58.231 55.803 0.010 0.000 0.870 170 Q CB -0.449 28.294 28.738 0.007 0.000 0.916 170 Q HN 0.513 nan 8.270 nan 0.000 0.222 171 A N -0.952 121.862 122.820 -0.009 0.000 2.119 171 A HA 0.264 4.542 4.320 -0.071 0.000 0.216 171 A C 1.525 179.100 177.584 -0.015 0.000 1.152 171 A CA 1.184 53.214 52.037 -0.012 0.000 0.708 171 A CB -0.377 18.617 19.000 -0.009 0.000 0.805 171 A HN 0.456 nan 8.150 nan 0.000 0.460 172 A N -0.838 121.971 122.820 -0.018 0.000 2.462 172 A HA 0.421 4.699 4.320 -0.071 0.000 0.261 172 A C 0.329 177.898 177.584 -0.025 0.000 1.323 172 A CA 0.475 52.499 52.037 -0.021 0.000 0.913 172 A CB -0.506 18.480 19.000 -0.023 0.000 1.028 172 A HN 0.355 nan 8.150 nan 0.000 0.511 173 D N -0.599 119.787 120.400 -0.022 0.000 2.882 173 D HA -0.287 4.311 4.640 -0.071 0.000 0.229 173 D C 0.907 177.186 176.300 -0.035 0.000 1.167 173 D CA 1.726 55.714 54.000 -0.021 0.000 0.759 173 D CB -1.142 39.647 40.800 -0.019 0.000 1.088 173 D HN 0.914 nan 8.370 nan 0.000 0.425 174 K N -3.472 116.894 120.400 -0.056 0.000 3.548 174 K HA -0.382 3.896 4.320 -0.071 0.000 0.303 174 K C 1.291 177.843 176.600 -0.079 0.000 1.234 174 K CA 2.707 58.931 56.287 -0.105 0.000 1.024 174 K CB -1.731 30.661 32.500 -0.179 0.000 1.306 174 K HN 0.451 nan 8.250 nan 0.000 0.423 175 A N 0.859 123.649 122.820 -0.050 0.000 1.862 175 A HA 0.043 4.321 4.320 -0.071 0.000 0.217 175 A C 2.559 180.123 177.584 -0.033 0.000 1.251 175 A CA 3.526 55.541 52.037 -0.037 0.000 0.673 175 A CB -1.404 17.581 19.000 -0.025 0.000 0.843 175 A HN 1.126 nan 8.150 nan 0.000 0.458 176 A N -1.607 121.198 122.820 -0.026 0.000 1.938 176 A HA 0.061 4.339 4.320 -0.071 0.000 0.207 176 A C 2.329 179.902 177.584 -0.018 0.000 1.292 176 A CA 1.274 53.300 52.037 -0.018 0.000 0.700 176 A CB -1.278 17.714 19.000 -0.013 0.000 0.947 176 A HN 1.374 nan 8.150 nan 0.000 0.476 177 c N -0.660 117.928 118.600 -0.020 0.000 2.413 177 c HA 0.141 4.669 4.570 -0.071 0.000 0.292 177 c C 2.020 176.097 174.090 -0.021 0.000 1.435 177 c CA 0.835 57.154 56.329 -0.016 0.000 1.791 177 c CB -1.806 40.695 42.510 -0.015 0.000 1.784 177 c HN 0.541 nan 8.230 nan 0.000 0.548 178 L N 0.614 121.815 121.223 -0.037 0.000 2.639 178 L HA 0.249 4.546 4.340 -0.071 0.000 0.183 178 L C 2.506 179.364 176.870 -0.020 0.000 1.308 178 L CA 0.798 55.609 54.840 -0.048 0.000 0.875 178 L CB -0.607 41.379 42.059 -0.122 0.000 1.189 178 L HN 0.409 nan 8.230 nan 0.000 0.523 179 L N 0.668 121.875 121.223 -0.026 0.000 2.651 179 L HA 0.009 4.307 4.340 -0.071 0.000 0.236 179 L C -1.120 175.755 176.870 0.010 0.000 1.173 179 L CA 0.429 55.269 54.840 0.000 0.000 0.843 179 L CB -1.431 40.624 42.059 -0.007 0.000 0.964 179 L HN 0.232 nan 8.230 nan 0.000 0.454 180 P HA 0.000 nan 4.420 nan 0.000 0.255 180 P C 0.329 177.639 177.300 0.016 0.000 1.248 180 P CA 0.639 63.745 63.100 0.009 0.000 0.807 180 P CB 0.078 31.782 31.700 0.006 0.000 1.150 181 K N -0.611 119.802 120.400 0.022 0.000 2.387 181 K HA 0.215 4.493 4.320 -0.071 0.000 0.198 181 K C 0.988 177.608 176.600 0.032 0.000 1.022 181 K CA -0.137 56.167 56.287 0.029 0.000 1.128 181 K CB 0.290 32.813 32.500 0.038 0.000 0.853 181 K HN 0.029 nan 8.250 nan 0.000 0.523 182 L N 0.856 122.099 121.223 0.033 0.000 3.016 182 L HA 0.181 4.479 4.340 -0.071 0.000 0.267 182 L C 0.556 177.430 176.870 0.006 0.000 1.182 182 L CA 0.828 55.690 54.840 0.036 0.000 0.997 182 L CB 0.210 42.322 42.059 0.087 0.000 1.354 182 L HN 0.157 nan 8.230 nan 0.000 0.569 183 D N -0.147 120.255 120.400 0.004 0.000 2.429 183 D HA -0.110 4.487 4.640 -0.071 0.000 0.242 183 D C 1.379 177.676 176.300 -0.004 0.000 1.076 183 D CA 0.420 54.420 54.000 0.000 0.000 0.955 183 D CB 0.609 41.412 40.800 0.006 0.000 1.076 183 D HN 0.220 nan 8.370 nan 0.000 0.448 184 E N 0.759 120.962 120.200 0.005 0.000 2.055 184 E HA -0.205 4.103 4.350 -0.071 0.000 0.209 184 E C 1.545 178.142 176.600 -0.006 0.000 1.036 184 E CA 0.992 57.400 56.400 0.014 0.000 0.849 184 E CB -0.152 29.565 29.700 0.029 0.000 0.767 184 E HN 0.072 nan 8.360 nan 0.000 0.461 185 L N 1.206 122.403 121.223 -0.045 0.000 2.855 185 L HA -0.034 4.264 4.340 -0.071 0.000 0.257 185 L C 1.898 178.638 176.870 -0.216 0.000 1.206 185 L CA 0.486 55.236 54.840 -0.149 0.000 1.042 185 L CB -0.295 41.625 42.059 -0.231 0.000 1.321 185 L HN 0.180 nan 8.230 nan 0.000 0.417 186 R N -2.810 117.624 120.500 -0.110 0.000 2.225 186 R HA 0.121 4.418 4.340 -0.071 0.000 0.194 186 R C 1.336 177.619 176.300 -0.028 0.000 0.949 186 R CA 0.026 56.068 56.100 -0.098 0.000 1.088 186 R CB -0.298 29.961 30.300 -0.069 0.000 1.106 186 R HN 0.109 nan 8.270 nan 0.000 0.566 187 D N 1.430 121.833 120.400 0.005 0.000 2.144 187 D HA -0.184 4.414 4.640 -0.071 0.000 0.199 187 D C 1.257 177.603 176.300 0.076 0.000 0.984 187 D CA 1.317 55.343 54.000 0.044 0.000 0.834 187 D CB 0.070 40.902 40.800 0.053 0.000 0.955 187 D HN 0.469 nan 8.370 nan 0.000 0.465 188 E N 0.238 120.493 120.200 0.091 0.000 2.478 188 E HA -0.051 4.256 4.350 -0.071 0.000 0.198 188 E C 1.820 178.612 176.600 0.320 0.000 1.046 188 E CA 0.382 56.916 56.400 0.222 0.000 0.870 188 E CB 0.103 29.998 29.700 0.325 0.000 0.818 188 E HN 0.215 nan 8.360 nan 0.000 0.527 189 G N 0.893 109.767 108.800 0.123 0.000 2.471 189 G HA2 -0.163 3.755 3.960 -0.071 0.000 0.211 189 G HA3 -0.163 3.755 3.960 -0.071 0.000 0.211 189 G C 1.346 176.323 174.900 0.128 0.000 1.194 189 G CA 0.125 45.343 45.100 0.198 0.000 0.816 189 G HN 0.088 nan 8.290 nan 0.000 0.545 190 K N 0.888 121.321 120.400 0.056 0.000 2.059 190 K HA -0.146 4.132 4.320 -0.071 0.000 0.212 190 K C 2.859 179.450 176.600 -0.016 0.000 1.050 190 K CA 1.230 57.536 56.287 0.032 0.000 0.927 190 K CB -0.334 32.217 32.500 0.086 0.000 0.714 190 K HN 0.260 nan 8.250 nan 0.000 0.447 191 A N 1.191 124.031 122.820 0.033 0.000 1.842 191 A HA -0.247 4.031 4.320 -0.071 0.000 0.217 191 A C 2.311 179.861 177.584 -0.057 0.000 1.206 191 A CA 2.389 54.435 52.037 0.015 0.000 0.630 191 A CB -1.104 17.952 19.000 0.093 0.000 0.839 191 A HN 0.317 nan 8.150 nan 0.000 0.447 192 S N -0.262 115.413 115.700 -0.042 0.000 2.423 192 S HA -0.127 4.300 4.470 -0.071 0.000 0.231 192 S C 2.119 176.470 174.600 -0.416 0.000 1.014 192 S CA 1.809 59.912 58.200 -0.162 0.000 0.965 192 S CB -0.579 62.572 63.200 -0.081 0.000 0.785 192 S HN 0.894 nan 8.310 nan 0.000 0.495 193 S N 0.104 115.444 115.700 -0.600 0.000 2.515 193 S HA 0.279 4.707 4.470 -0.071 0.000 0.231 193 S C 1.469 175.917 174.600 -0.254 0.000 0.987 193 S CA 0.684 58.435 58.200 -0.748 0.000 0.936 193 S CB -0.115 62.588 63.200 -0.829 0.000 0.766 193 S HN 0.598 nan 8.310 nan 0.000 0.528 194 A N 1.077 123.783 122.820 -0.189 0.000 2.138 194 A HA 0.447 4.725 4.320 -0.071 0.000 0.203 194 A C 1.810 179.305 177.584 -0.147 0.000 1.286 194 A CA -0.152 51.817 52.037 -0.113 0.000 0.929 194 A CB 0.063 19.014 19.000 -0.081 0.000 0.975 194 A HN 0.408 nan 8.150 nan 0.000 0.480 195 K N -0.251 120.054 120.400 -0.158 0.000 2.525 195 K HA -0.012 4.265 4.320 -0.071 0.000 0.192 195 K C 1.812 178.329 176.600 -0.139 0.000 1.029 195 K CA 1.057 57.263 56.287 -0.135 0.000 1.029 195 K CB 0.170 32.610 32.500 -0.100 0.000 0.814 195 K HN 0.583 nan 8.250 nan 0.000 0.503 196 Q N 0.143 119.842 119.800 -0.168 0.000 2.499 196 Q HA 0.007 4.305 4.340 -0.071 0.000 0.213 196 Q C 1.879 177.788 176.000 -0.151 0.000 0.929 196 Q CA 0.407 56.106 55.803 -0.173 0.000 0.904 196 Q CB 0.087 28.709 28.738 -0.193 0.000 1.052 196 Q HN -0.085 nan 8.270 nan 0.000 0.589 197 R N 0.749 121.170 120.500 -0.132 0.000 2.185 197 R HA -0.138 4.160 4.340 -0.071 0.000 0.247 197 R C 1.838 178.031 176.300 -0.177 0.000 1.159 197 R CA 1.337 57.337 56.100 -0.165 0.000 0.988 197 R CB -1.067 29.134 30.300 -0.165 0.000 0.871 197 R HN 0.483 nan 8.270 nan 0.000 0.458 198 L N 0.428 121.563 121.223 -0.146 0.000 1.941 198 L HA -0.301 3.997 4.340 -0.071 0.000 0.224 198 L C 2.113 178.862 176.870 -0.201 0.000 1.081 198 L CA 2.389 57.149 54.840 -0.133 0.000 0.784 198 L CB -0.596 41.419 42.059 -0.074 0.000 0.894 198 L HN 0.281 nan 8.230 nan 0.000 0.436 199 K N -1.249 118.993 120.400 -0.263 0.000 2.228 199 K HA -0.230 4.048 4.320 -0.071 0.000 0.205 199 K C 1.958 178.362 176.600 -0.325 0.000 1.045 199 K CA 1.754 57.853 56.287 -0.314 0.000 0.931 199 K CB -0.151 32.122 32.500 -0.379 0.000 0.727 199 K HN 0.488 nan 8.250 nan 0.000 0.458 200 c N -0.851 117.605 118.600 -0.240 0.000 2.505 200 c HA 0.118 4.646 4.570 -0.071 0.000 0.279 200 c C 2.740 176.708 174.090 -0.203 0.000 1.316 200 c CA 0.361 56.556 56.329 -0.223 0.000 1.720 200 c CB -0.611 41.825 42.510 -0.123 0.000 2.050 200 c HN 0.551 nan 8.230 nan 0.000 0.493 201 A N 1.043 123.756 122.820 -0.177 0.000 1.883 201 A HA -0.179 4.099 4.320 -0.071 0.000 0.217 201 A C 2.231 179.760 177.584 -0.091 0.000 1.186 201 A CA 2.401 54.372 52.037 -0.110 0.000 0.624 201 A CB -0.994 17.946 19.000 -0.100 0.000 0.822 201 A HN 0.532 nan 8.150 nan 0.000 0.444 202 S N -0.233 115.355 115.700 -0.186 0.000 2.389 202 S HA -0.214 4.213 4.470 -0.071 0.000 0.229 202 S C 1.871 176.400 174.600 -0.119 0.000 1.048 202 S CA 1.650 59.730 58.200 -0.200 0.000 1.117 202 S CB -0.523 62.566 63.200 -0.185 0.000 1.020 202 S HN 0.418 nan 8.310 nan 0.000 0.430 203 L N 1.107 122.179 121.223 -0.252 0.000 1.955 203 L HA -0.130 4.167 4.340 -0.071 0.000 0.213 203 L C 1.391 178.156 176.870 -0.176 0.000 1.072 203 L CA 2.153 56.801 54.840 -0.320 0.000 0.755 203 L CB -1.124 40.638 42.059 -0.495 0.000 0.888 203 L HN 0.549 nan 8.230 nan 0.000 0.432 204 Q N -2.207 117.503 119.800 -0.151 0.000 2.023 204 Q HA 0.071 4.369 4.340 -0.071 0.000 0.221 204 Q C 0.828 176.809 176.000 -0.031 0.000 0.806 204 Q CA -0.040 55.702 55.803 -0.102 0.000 1.052 204 Q CB 0.147 28.751 28.738 -0.223 0.000 1.229 204 Q HN 0.253 nan 8.270 nan 0.000 0.440 205 K N -0.041 120.365 120.400 0.010 0.000 2.367 205 K HA 0.262 4.540 4.320 -0.071 0.000 0.194 205 K C -0.550 176.148 176.600 0.163 0.000 1.027 205 K CA 0.279 56.602 56.287 0.059 0.000 1.075 205 K CB 0.472 33.001 32.500 0.048 0.000 0.845 205 K HN 0.081 nan 8.250 nan 0.000 0.529 206 F N -0.735 119.185 119.950 -0.050 0.000 2.650 206 F HA 0.516 5.001 4.527 -0.070 0.000 0.320 206 F C 0.331 176.112 175.800 -0.032 0.000 1.091 206 F CA -0.935 57.051 58.000 -0.024 0.000 0.962 206 F CB 1.600 40.597 39.000 -0.005 0.000 1.363 206 F HN -0.031 nan 8.300 nan 0.000 0.482 207 G N 1.175 110.143 108.800 0.279 0.000 2.321 207 G HA2 0.120 4.038 3.960 -0.071 0.000 0.237 207 G HA3 0.120 4.038 3.960 -0.071 0.000 0.237 207 G C 0.601 175.564 174.900 0.106 0.000 1.282 207 G CA 0.211 45.399 45.100 0.147 0.000 0.886 207 G HN 0.841 nan 8.290 nan 0.000 0.528 208 E N 1.644 121.865 120.200 0.036 0.000 2.204 208 E HA -0.172 4.135 4.350 -0.071 0.000 0.195 208 E C 2.179 178.811 176.600 0.053 0.000 0.990 208 E CA 0.811 57.206 56.400 -0.009 0.000 0.821 208 E CB 0.002 29.682 29.700 -0.034 0.000 0.750 208 E HN 0.329 nan 8.360 nan 0.000 0.477 209 R N 0.816 121.364 120.500 0.082 0.000 2.096 209 R HA 0.072 4.369 4.340 -0.071 0.000 0.235 209 R C 2.160 178.539 176.300 0.132 0.000 1.127 209 R CA 1.468 57.628 56.100 0.100 0.000 0.968 209 R CB -1.209 29.150 30.300 0.097 0.000 0.861 209 R HN 0.393 nan 8.270 nan 0.000 0.440 210 A N 0.089 123.000 122.820 0.150 0.000 1.859 210 A HA -0.230 4.048 4.320 -0.071 0.000 0.217 210 A C 2.163 179.864 177.584 0.196 0.000 1.198 210 A CA 1.640 53.777 52.037 0.166 0.000 0.629 210 A CB -1.040 18.055 19.000 0.158 0.000 0.830 210 A HN 0.356 nan 8.150 nan 0.000 0.446 211 F N 0.555 120.481 119.950 -0.040 0.000 2.085 211 F HA -0.321 4.161 4.527 -0.075 0.000 0.299 211 F C 2.222 178.008 175.800 -0.024 0.000 1.096 211 F CA 2.535 60.458 58.000 -0.128 0.000 1.227 211 F CB -0.355 38.513 39.000 -0.220 0.000 0.983 211 F HN 0.170 nan 8.300 nan 0.000 0.482 212 K N 0.028 120.537 120.400 0.183 0.000 2.015 212 K HA -0.250 4.028 4.320 -0.071 0.000 0.216 212 K C 2.246 178.877 176.600 0.051 0.000 1.052 212 K CA 1.946 58.281 56.287 0.081 0.000 0.937 212 K CB -0.999 31.554 32.500 0.088 0.000 0.719 212 K HN 0.334 nan 8.250 nan 0.000 0.446 213 A N -0.675 122.202 122.820 0.095 0.000 1.978 213 A HA -0.207 4.071 4.320 -0.071 0.000 0.220 213 A C 2.064 179.697 177.584 0.083 0.000 1.170 213 A CA 1.614 53.702 52.037 0.086 0.000 0.636 213 A CB -0.978 18.080 19.000 0.098 0.000 0.810 213 A HN 0.599 nan 8.150 nan 0.000 0.448 214 W N -0.127 121.064 121.300 -0.180 0.000 2.354 214 W HA -0.119 4.501 4.660 -0.067 0.000 0.315 214 W C 2.624 178.939 176.519 -0.340 0.000 1.206 214 W CA 2.315 59.487 57.345 -0.288 0.000 1.290 214 W CB -0.018 29.186 29.460 -0.427 0.000 1.152 214 W HN 0.339 nan 8.180 nan 0.000 0.489 215 A N -1.064 121.733 122.820 -0.038 0.000 2.021 215 A HA -0.042 4.236 4.320 -0.071 0.000 0.216 215 A C 1.765 179.282 177.584 -0.112 0.000 1.163 215 A CA 1.427 53.379 52.037 -0.142 0.000 0.676 215 A CB -0.931 17.861 19.000 -0.347 0.000 0.818 215 A HN 0.117 nan 8.150 nan 0.000 0.453 216 V N 0.001 119.874 119.914 -0.068 0.000 2.515 216 V HA -0.195 3.882 4.120 -0.071 0.000 0.250 216 V C 2.890 178.983 176.094 -0.003 0.000 1.058 216 V CA 1.626 63.904 62.300 -0.037 0.000 1.064 216 V CB -1.396 30.447 31.823 0.034 0.000 0.675 216 V HN 0.540 nan 8.190 nan 0.000 0.461 217 A N 0.017 122.817 122.820 -0.033 0.000 1.902 217 A HA -0.201 4.077 4.320 -0.071 0.000 0.217 217 A C 2.467 179.990 177.584 -0.101 0.000 1.181 217 A CA 2.064 54.053 52.037 -0.080 0.000 0.623 217 A CB -0.393 18.511 19.000 -0.160 0.000 0.818 217 A HN 0.478 nan 8.150 nan 0.000 0.443 218 R N -0.902 119.528 120.500 -0.117 0.000 2.087 218 R HA 0.225 4.523 4.340 -0.071 0.000 0.216 218 R C 1.814 178.011 176.300 -0.170 0.000 1.114 218 R CA 0.578 56.596 56.100 -0.138 0.000 1.002 218 R CB -0.207 30.029 30.300 -0.106 0.000 0.903 218 R HN 0.485 nan 8.270 nan 0.000 0.445 219 L N 0.241 121.328 121.223 -0.227 0.000 2.456 219 L HA -0.019 4.278 4.340 -0.071 0.000 0.224 219 L C 1.841 178.530 176.870 -0.302 0.000 1.148 219 L CA 0.684 55.273 54.840 -0.419 0.000 0.825 219 L CB -0.022 41.762 42.059 -0.458 0.000 0.937 219 L HN 0.097 nan 8.230 nan 0.000 0.450 220 S N -1.035 114.601 115.700 -0.107 0.000 2.503 220 S HA -0.079 4.349 4.470 -0.071 0.000 0.217 220 S C 1.831 176.467 174.600 0.061 0.000 0.999 220 S CA 0.305 58.536 58.200 0.053 0.000 0.914 220 S CB 0.201 63.509 63.200 0.180 0.000 0.782 220 S HN 0.397 nan 8.310 nan 0.000 0.520 221 Q N 0.658 120.453 119.800 -0.010 0.000 2.378 221 Q HA 0.102 4.400 4.340 -0.071 0.000 0.205 221 Q C 1.828 177.844 176.000 0.026 0.000 0.954 221 Q CA 0.773 56.572 55.803 -0.007 0.000 0.901 221 Q CB 0.213 28.919 28.738 -0.052 0.000 0.981 221 Q HN 0.386 nan 8.270 nan 0.000 0.483 222 R N -1.955 118.571 120.500 0.043 0.000 2.383 222 R HA 0.135 4.433 4.340 -0.071 0.000 0.205 222 R C -0.156 176.438 176.300 0.490 0.000 0.875 222 R CA 0.057 56.264 56.100 0.178 0.000 1.039 222 R CB 0.578 30.947 30.300 0.115 0.000 1.267 222 R HN 0.058 nan 8.270 nan 0.000 0.635 223 F N 3.877 123.836 119.950 0.015 0.000 2.848 223 F HA 0.350 4.832 4.527 -0.075 0.000 0.321 223 F C -1.892 173.939 175.800 0.052 0.000 1.281 223 F CA -3.640 54.373 58.000 0.022 0.000 1.209 223 F CB 0.678 39.685 39.000 0.012 0.000 1.152 223 F HN -0.123 nan 8.300 nan 0.000 0.521 224 P HA 0.044 nan 4.420 nan 0.000 0.246 224 P C 0.385 177.774 177.300 0.147 0.000 1.686 224 P CA 0.379 63.582 63.100 0.171 0.000 0.867 224 P CB -0.052 31.707 31.700 0.098 0.000 1.733 225 K N -2.287 118.212 120.400 0.166 0.000 2.589 225 K HA 0.246 4.523 4.320 -0.071 0.000 0.218 225 K C 0.695 177.397 176.600 0.170 0.000 1.468 225 K CA -0.225 56.147 56.287 0.141 0.000 1.002 225 K CB -0.214 32.332 32.500 0.077 0.000 1.200 225 K HN -0.026 nan 8.250 nan 0.000 0.614 226 A N 3.316 126.247 122.820 0.185 0.000 2.572 226 A HA -0.055 4.223 4.320 -0.071 0.000 0.256 226 A C 0.206 177.872 177.584 0.135 0.000 1.041 226 A CA 0.510 52.640 52.037 0.154 0.000 0.790 226 A CB -0.194 18.917 19.000 0.185 0.000 0.947 226 A HN 0.257 nan 8.150 nan 0.000 0.518 227 E N 1.620 121.888 120.200 0.113 0.000 2.404 227 E HA 0.018 4.326 4.350 -0.071 0.000 0.261 227 E C 0.581 177.152 176.600 -0.048 0.000 1.074 227 E CA -0.215 56.274 56.400 0.148 0.000 0.917 227 E CB 0.280 30.066 29.700 0.144 0.000 0.965 227 E HN 0.680 nan 8.360 nan 0.000 0.433 228 F N 2.335 122.163 119.950 -0.203 0.000 2.192 228 F HA -0.288 4.198 4.527 -0.068 0.000 0.301 228 F C 1.994 177.701 175.800 -0.155 0.000 1.079 228 F CA 1.728 59.500 58.000 -0.381 0.000 1.303 228 F CB -0.367 38.611 39.000 -0.036 0.000 1.024 228 F HN 0.629 nan 8.300 nan 0.000 0.494 229 A N -0.002 122.782 122.820 -0.060 0.000 1.863 229 A HA -0.331 3.947 4.320 -0.071 0.000 0.218 229 A C 2.102 179.580 177.584 -0.176 0.000 1.233 229 A CA 2.307 54.288 52.037 -0.093 0.000 0.655 229 A CB -1.184 17.824 19.000 0.014 0.000 0.839 229 A HN 0.405 nan 8.150 nan 0.000 0.454 230 E N -1.091 119.047 120.200 -0.103 0.000 2.274 230 E HA 0.014 4.322 4.350 -0.071 0.000 0.194 230 E C 1.789 178.337 176.600 -0.088 0.000 0.996 230 E CA 0.641 57.016 56.400 -0.041 0.000 0.840 230 E CB -0.120 29.620 29.700 0.067 0.000 0.772 230 E HN 0.270 nan 8.360 nan 0.000 0.491 231 V N -0.260 119.519 119.914 -0.224 0.000 2.515 231 V HA -0.136 3.942 4.120 -0.071 0.000 0.250 231 V C 1.552 177.486 176.094 -0.268 0.000 1.058 231 V CA 1.586 63.741 62.300 -0.242 0.000 1.064 231 V CB -0.068 31.546 31.823 -0.348 0.000 0.675 231 V HN 0.142 nan 8.190 nan 0.000 0.461 232 S N -0.980 114.497 115.700 -0.372 0.000 2.743 232 S HA 0.134 4.561 4.470 -0.071 0.000 0.230 232 S C 1.103 175.579 174.600 -0.206 0.000 0.950 232 S CA 0.171 58.177 58.200 -0.324 0.000 0.976 232 S CB -0.277 62.638 63.200 -0.475 0.000 0.779 232 S HN 0.524 nan 8.310 nan 0.000 0.487 233 K N 0.980 121.277 120.400 -0.170 0.000 2.860 233 K HA 0.378 4.655 4.320 -0.071 0.000 0.204 233 K C 0.247 176.758 176.600 -0.148 0.000 1.127 233 K CA 0.132 56.311 56.287 -0.180 0.000 1.050 233 K CB 0.172 32.532 32.500 -0.234 0.000 0.745 233 K HN 0.249 nan 8.250 nan 0.000 0.459 234 L N -1.413 119.757 121.223 -0.087 0.000 2.815 234 L HA 0.176 4.473 4.340 -0.071 0.000 0.241 234 L C 1.565 178.407 176.870 -0.047 0.000 1.047 234 L CA -0.003 54.820 54.840 -0.028 0.000 0.939 234 L CB 0.221 42.288 42.059 0.013 0.000 1.490 234 L HN 0.032 nan 8.230 nan 0.000 0.510 235 V N 0.148 120.013 119.914 -0.082 0.000 3.052 235 V HA -0.087 3.991 4.120 -0.071 0.000 0.254 235 V C 2.127 178.217 176.094 -0.007 0.000 1.100 235 V CA 2.167 64.432 62.300 -0.059 0.000 1.112 235 V CB -0.090 31.672 31.823 -0.100 0.000 0.738 235 V HN 0.544 nan 8.190 nan 0.000 0.469 236 T N -1.611 112.919 114.554 -0.040 0.000 3.055 236 T HA -0.004 4.304 4.350 -0.071 0.000 0.265 236 T C 1.204 175.895 174.700 -0.016 0.000 1.111 236 T CA 1.078 63.163 62.100 -0.025 0.000 1.118 236 T CB -0.194 68.638 68.868 -0.060 0.000 0.909 236 T HN 0.454 nan 8.240 nan 0.000 0.501 237 D N -0.206 120.181 120.400 -0.021 0.000 2.369 237 D HA 0.300 4.898 4.640 -0.071 0.000 0.211 237 D C 1.345 177.665 176.300 0.034 0.000 1.077 237 D CA 0.025 54.014 54.000 -0.018 0.000 0.842 237 D CB 0.496 41.262 40.800 -0.056 0.000 0.947 237 D HN 0.250 nan 8.370 nan 0.000 0.509 238 L N -0.558 120.712 121.223 0.078 0.000 2.547 238 L HA 0.089 4.387 4.340 -0.071 0.000 0.218 238 L C 2.050 179.072 176.870 0.254 0.000 1.048 238 L CA 0.674 55.616 54.840 0.171 0.000 0.859 238 L CB 0.008 42.161 42.059 0.157 0.000 1.128 238 L HN -0.167 nan 8.230 nan 0.000 0.483 239 T N 0.050 114.736 114.554 0.219 0.000 2.516 239 T HA -0.328 3.980 4.350 -0.071 0.000 0.261 239 T C 1.791 176.490 174.700 -0.001 0.000 1.130 239 T CA 2.079 64.231 62.100 0.085 0.000 1.193 239 T CB -0.233 68.681 68.868 0.077 0.000 0.864 239 T HN 0.169 nan 8.240 nan 0.000 0.410 240 K N 0.129 120.535 120.400 0.010 0.000 2.090 240 K HA -0.224 4.054 4.320 -0.071 0.000 0.218 240 K C 2.195 178.788 176.600 -0.012 0.000 1.055 240 K CA 2.026 58.311 56.287 -0.004 0.000 0.941 240 K CB -0.710 31.788 32.500 -0.002 0.000 0.722 240 K HN 0.151 nan 8.250 nan 0.000 0.458 241 V N 0.166 120.082 119.914 0.002 0.000 2.215 241 V HA -0.300 3.778 4.120 -0.071 0.000 0.246 241 V C 1.995 178.034 176.094 -0.090 0.000 1.047 241 V CA 2.367 64.651 62.300 -0.027 0.000 0.999 241 V CB -0.739 31.081 31.823 -0.005 0.000 0.635 241 V HN 0.403 nan 8.190 nan 0.000 0.450 242 H N 0.549 119.572 119.070 -0.078 0.000 2.387 242 H HA -0.149 4.372 4.556 -0.058 0.000 0.299 242 H C 2.451 177.634 175.328 -0.242 0.000 1.099 242 H CA 2.188 58.110 56.048 -0.210 0.000 1.315 242 H CB -0.484 29.068 29.762 -0.350 0.000 1.380 242 H HN 0.698 nan 8.280 nan 0.000 0.513 243 T N -0.998 113.468 114.554 -0.146 0.000 2.684 243 T HA -0.207 4.101 4.350 -0.071 0.000 0.267 243 T C 1.798 176.478 174.700 -0.033 0.000 1.036 243 T CA 1.613 63.626 62.100 -0.145 0.000 1.148 243 T CB -0.275 68.542 68.868 -0.085 0.000 0.863 243 T HN 0.414 nan 8.240 nan 0.000 0.436 244 E N 0.400 120.598 120.200 -0.004 0.000 2.007 244 E HA -0.066 4.242 4.350 -0.071 0.000 0.194 244 E C 2.440 179.049 176.600 0.016 0.000 0.999 244 E CA 1.424 57.839 56.400 0.024 0.000 0.811 244 E CB -0.560 29.129 29.700 -0.019 0.000 0.762 244 E HN 0.469 nan 8.360 nan 0.000 0.450 245 c N 0.318 118.915 118.600 -0.005 0.000 2.402 245 c HA -0.145 4.382 4.570 -0.071 0.000 0.301 245 c C 2.384 176.486 174.090 0.021 0.000 1.455 245 c CA 0.220 56.565 56.329 0.027 0.000 1.787 245 c CB -1.323 41.264 42.510 0.130 0.000 1.726 245 c HN 0.599 nan 8.230 nan 0.000 0.565 246 c N -3.077 115.526 118.600 0.004 0.000 2.469 246 c HA 0.056 4.584 4.570 -0.071 0.000 0.309 246 c C 2.260 176.378 174.090 0.047 0.000 1.385 246 c CA 0.285 56.628 56.329 0.023 0.000 1.890 246 c CB -1.333 41.137 42.510 -0.066 0.000 2.245 246 c HN 0.659 nan 8.230 nan 0.000 0.530 247 H N -0.023 119.033 119.070 -0.023 0.000 2.563 247 H HA 0.170 4.682 4.556 -0.073 0.000 0.272 247 H C 1.759 177.072 175.328 -0.026 0.000 1.005 247 H CA 0.722 56.759 56.048 -0.017 0.000 1.171 247 H CB 0.116 29.872 29.762 -0.011 0.000 1.351 247 H HN 0.668 nan 8.280 nan 0.000 0.602 248 G N 0.393 109.233 108.800 0.066 0.000 3.131 248 G HA2 -0.245 3.673 3.960 -0.071 0.000 0.198 248 G HA3 -0.245 3.673 3.960 -0.071 0.000 0.198 248 G C -0.256 174.677 174.900 0.055 0.000 1.435 248 G CA -0.110 44.984 45.100 -0.010 0.000 1.016 248 G HN 0.483 nan 8.290 nan 0.000 0.499 249 D N 3.728 124.203 120.400 0.126 0.000 2.416 249 D HA 0.349 4.946 4.640 -0.071 0.000 0.240 249 D C 1.570 177.826 176.300 -0.072 0.000 1.250 249 D CA -0.328 53.669 54.000 -0.006 0.000 0.967 249 D CB 1.378 42.060 40.800 -0.197 0.000 1.059 249 D HN 0.136 nan 8.370 nan 0.000 0.512 250 L N 2.630 123.807 121.223 -0.077 0.000 1.886 250 L HA -0.219 4.078 4.340 -0.071 0.000 0.226 250 L C 2.520 179.305 176.870 -0.142 0.000 1.091 250 L CA 0.823 55.607 54.840 -0.095 0.000 0.799 250 L CB -1.897 40.099 42.059 -0.105 0.000 0.889 250 L HN 0.324 nan 8.230 nan 0.000 0.429 251 L N -0.829 120.281 121.223 -0.187 0.000 2.443 251 L HA -0.378 3.919 4.340 -0.071 0.000 0.228 251 L C 2.415 179.170 176.870 -0.191 0.000 1.137 251 L CA 2.346 57.048 54.840 -0.230 0.000 0.859 251 L CB -1.485 40.389 42.059 -0.308 0.000 0.949 251 L HN 0.378 nan 8.230 nan 0.000 0.449 252 E N -1.352 118.740 120.200 -0.180 0.000 2.049 252 E HA -0.234 4.073 4.350 -0.071 0.000 0.198 252 E C 2.214 178.748 176.600 -0.110 0.000 1.007 252 E CA 1.550 57.864 56.400 -0.144 0.000 0.809 252 E CB -0.791 28.827 29.700 -0.136 0.000 0.749 252 E HN 0.575 nan 8.360 nan 0.000 0.450 253 c N 0.414 118.955 118.600 -0.098 0.000 2.250 253 c HA -0.362 4.165 4.570 -0.071 0.000 0.264 253 c C 2.850 176.883 174.090 -0.096 0.000 1.111 253 c CA 1.993 58.277 56.329 -0.076 0.000 1.802 253 c CB -1.244 41.228 42.510 -0.063 0.000 1.902 253 c HN 0.604 nan 8.230 nan 0.000 0.411 254 A N -1.042 121.697 122.820 -0.136 0.000 2.024 254 A HA -0.202 4.075 4.320 -0.071 0.000 0.220 254 A C 1.866 179.388 177.584 -0.104 0.000 1.164 254 A CA 2.387 54.335 52.037 -0.150 0.000 0.643 254 A CB -0.697 18.203 19.000 -0.168 0.000 0.806 254 A HN 0.793 nan 8.150 nan 0.000 0.451 255 D N -0.212 120.129 120.400 -0.098 0.000 2.137 255 D HA -0.115 4.483 4.640 -0.071 0.000 0.202 255 D C 1.347 177.616 176.300 -0.051 0.000 0.970 255 D CA 1.195 55.149 54.000 -0.077 0.000 0.837 255 D CB -0.220 40.519 40.800 -0.101 0.000 0.981 255 D HN 0.315 nan 8.370 nan 0.000 0.475 256 D N 0.048 120.417 120.400 -0.052 0.000 2.097 256 D HA -0.152 4.445 4.640 -0.071 0.000 0.195 256 D C 1.809 178.106 176.300 -0.004 0.000 0.989 256 D CA 0.676 54.661 54.000 -0.026 0.000 0.827 256 D CB -0.274 40.509 40.800 -0.028 0.000 0.966 256 D HN 0.144 nan 8.370 nan 0.000 0.456 257 R N -0.045 120.449 120.500 -0.009 0.000 2.395 257 R HA -0.008 4.289 4.340 -0.071 0.000 0.202 257 R C 1.090 177.398 176.300 0.013 0.000 1.088 257 R CA 0.693 56.801 56.100 0.013 0.000 1.090 257 R CB 0.033 30.336 30.300 0.005 0.000 0.876 257 R HN 0.102 nan 8.270 nan 0.000 0.477 258 A N -1.390 121.435 122.820 0.008 0.000 2.048 258 A HA 0.082 4.359 4.320 -0.071 0.000 0.197 258 A C 1.279 178.883 177.584 0.034 0.000 1.486 258 A CA -0.047 52.001 52.037 0.018 0.000 1.029 258 A CB 0.178 19.180 19.000 0.003 0.000 1.101 258 A HN 0.233 nan 8.150 nan 0.000 0.470 259 D N -0.046 120.369 120.400 0.025 0.000 2.389 259 D HA -0.088 4.509 4.640 -0.071 0.000 0.221 259 D C 1.363 177.696 176.300 0.056 0.000 0.974 259 D CA 0.643 54.664 54.000 0.035 0.000 0.923 259 D CB 0.181 40.989 40.800 0.014 0.000 0.892 259 D HN 0.404 nan 8.370 nan 0.000 0.518 260 L N -0.646 120.617 121.223 0.066 0.000 2.864 260 L HA 0.167 4.465 4.340 -0.071 0.000 0.177 260 L C 2.090 179.046 176.870 0.143 0.000 1.341 260 L CA 0.779 55.688 54.840 0.116 0.000 0.892 260 L CB -0.973 41.145 42.059 0.097 0.000 1.290 260 L HN -0.068 nan 8.230 nan 0.000 0.545 261 A N 0.071 122.948 122.820 0.094 0.000 2.067 261 A HA -0.254 4.023 4.320 -0.071 0.000 0.224 261 A C 1.634 179.247 177.584 0.049 0.000 1.172 261 A CA 1.638 53.716 52.037 0.068 0.000 0.662 261 A CB -0.543 18.478 19.000 0.035 0.000 0.814 261 A HN 0.376 nan 8.150 nan 0.000 0.468 262 K N -1.672 118.763 120.400 0.059 0.000 3.100 262 K HA 0.183 4.461 4.320 -0.071 0.000 0.256 262 K C 0.175 176.831 176.600 0.094 0.000 1.146 262 K CA 0.226 56.542 56.287 0.048 0.000 1.233 262 K CB -0.179 32.346 32.500 0.043 0.000 1.226 262 K HN 0.810 nan 8.250 nan 0.000 0.442 263 Y N -2.126 118.182 120.300 0.013 0.000 3.260 263 Y HA 0.151 4.656 4.550 -0.075 0.000 0.202 263 Y C 1.588 177.497 175.900 0.015 0.000 0.962 263 Y CA -0.150 57.958 58.100 0.013 0.000 1.582 263 Y CB -0.204 38.266 38.460 0.015 0.000 1.478 263 Y HN -0.087 nan 8.280 nan 0.000 0.384 264 I N 0.747 121.160 120.570 -0.261 0.000 2.103 264 I HA -0.442 3.686 4.170 -0.071 0.000 0.241 264 I C 1.742 177.709 176.117 -0.249 0.000 1.036 264 I CA 2.276 63.449 61.300 -0.210 0.000 1.300 264 I CB -0.299 37.748 38.000 0.079 0.000 1.010 264 I HN 0.560 nan 8.210 nan 0.000 0.406 265 c N 0.948 119.463 118.600 -0.141 0.000 2.525 265 c HA 0.156 4.683 4.570 -0.071 0.000 0.313 265 c C 1.846 175.869 174.090 -0.112 0.000 1.311 265 c CA -0.188 56.073 56.329 -0.113 0.000 1.725 265 c CB -1.617 40.857 42.510 -0.059 0.000 1.926 265 c HN 0.392 nan 8.230 nan 0.000 0.595 266 E N -0.153 119.953 120.200 -0.156 0.000 2.473 266 E HA 0.072 4.380 4.350 -0.071 0.000 0.204 266 E C 0.898 177.403 176.600 -0.158 0.000 0.994 266 E CA 0.188 56.514 56.400 -0.124 0.000 0.945 266 E CB 0.243 29.892 29.700 -0.084 0.000 0.990 266 E HN 0.537 nan 8.360 nan 0.000 0.493 267 N N 0.528 119.076 118.700 -0.254 0.000 2.282 267 N HA 0.015 4.713 4.740 -0.071 0.000 0.185 267 N C 0.841 176.240 175.510 -0.185 0.000 1.099 267 N CA 0.058 52.962 53.050 -0.244 0.000 0.878 267 N CB 0.346 38.586 38.487 -0.413 0.000 0.993 267 N HN 0.064 nan 8.380 nan 0.000 0.481 268 Q N 0.273 119.962 119.800 -0.185 0.000 2.532 268 Q HA -0.337 3.961 4.340 -0.071 0.000 0.229 268 Q C 0.591 176.500 176.000 -0.152 0.000 2.384 268 Q CA 2.593 58.299 55.803 -0.161 0.000 0.913 268 Q CB -0.678 27.989 28.738 -0.120 0.000 0.758 268 Q HN 0.640 nan 8.270 nan 0.000 0.549 269 D N -1.506 118.827 120.400 -0.112 0.000 2.327 269 D HA -0.037 4.561 4.640 -0.071 0.000 0.205 269 D C 1.406 177.663 176.300 -0.072 0.000 0.989 269 D CA 1.184 55.132 54.000 -0.088 0.000 0.873 269 D CB -0.306 40.457 40.800 -0.061 0.000 0.955 269 D HN 0.311 nan 8.370 nan 0.000 0.515 270 S N -0.606 115.054 115.700 -0.066 0.000 2.701 270 S HA 0.213 4.641 4.470 -0.071 0.000 0.220 270 S C 1.559 176.143 174.600 -0.026 0.000 0.954 270 S CA -0.280 57.900 58.200 -0.033 0.000 0.936 270 S CB -0.299 62.892 63.200 -0.016 0.000 0.777 270 S HN 0.314 nan 8.310 nan 0.000 0.518 271 I N -0.575 119.947 120.570 -0.080 0.000 3.620 271 I HA 0.262 4.389 4.170 -0.071 0.000 0.255 271 I C 0.569 176.549 176.117 -0.229 0.000 1.124 271 I CA 0.172 61.419 61.300 -0.089 0.000 1.526 271 I CB 0.790 38.718 38.000 -0.119 0.000 1.681 271 I HN 0.324 nan 8.210 nan 0.000 0.420 272 S N 0.122 115.557 115.700 -0.442 0.000 2.730 272 S HA 0.119 4.546 4.470 -0.071 0.000 0.150 272 S C 0.829 175.217 174.600 -0.353 0.000 1.139 272 S CA 0.307 58.203 58.200 -0.507 0.000 1.155 272 S CB -0.032 62.416 63.200 -1.253 0.000 1.682 272 S HN 0.446 nan 8.310 nan 0.000 0.452 273 S N 3.009 118.585 115.700 -0.205 0.000 2.705 273 S HA -0.360 4.068 4.470 -0.071 0.000 0.359 273 S C 1.651 176.163 174.600 -0.146 0.000 1.373 273 S CA 2.383 60.497 58.200 -0.144 0.000 1.179 273 S CB -1.105 62.041 63.200 -0.089 0.000 1.312 273 S HN 0.749 nan 8.310 nan 0.000 0.458 274 K N 1.547 121.865 120.400 -0.136 0.000 2.589 274 K HA -0.072 4.205 4.320 -0.071 0.000 0.195 274 K C 1.042 177.583 176.600 -0.098 0.000 1.042 274 K CA 1.040 57.271 56.287 -0.094 0.000 0.940 274 K CB -0.850 31.615 32.500 -0.058 0.000 0.776 274 K HN 0.709 nan 8.250 nan 0.000 0.487 275 L N 0.173 121.308 121.223 -0.147 0.000 3.001 275 L HA 0.143 4.441 4.340 -0.071 0.000 0.234 275 L C 1.154 177.973 176.870 -0.085 0.000 1.321 275 L CA -0.262 54.511 54.840 -0.110 0.000 1.138 275 L CB -0.277 41.699 42.059 -0.139 0.000 1.503 275 L HN -0.121 nan 8.230 nan 0.000 0.487 276 K N -0.761 119.598 120.400 -0.068 0.000 1.965 276 K HA -0.034 4.244 4.320 -0.071 0.000 0.214 276 K C 1.551 178.131 176.600 -0.032 0.000 1.042 276 K CA 0.659 56.917 56.287 -0.048 0.000 0.950 276 K CB -0.535 31.942 32.500 -0.039 0.000 0.733 276 K HN 0.013 nan 8.250 nan 0.000 0.441 277 E N 0.680 120.866 120.200 -0.022 0.000 2.170 277 E HA -0.244 4.064 4.350 -0.071 0.000 0.229 277 E C 1.119 177.714 176.600 -0.007 0.000 1.074 277 E CA 1.961 58.356 56.400 -0.009 0.000 0.930 277 E CB -0.891 28.808 29.700 -0.002 0.000 0.806 277 E HN 0.566 nan 8.360 nan 0.000 0.478 278 c N -0.264 118.328 118.600 -0.013 0.000 3.057 278 c HA 0.410 4.937 4.570 -0.071 0.000 0.563 278 c C 1.196 175.274 174.090 -0.020 0.000 1.129 278 c CA -0.895 55.425 56.329 -0.014 0.000 1.284 278 c CB -1.547 40.952 42.510 -0.019 0.000 1.532 278 c HN 0.358 nan 8.230 nan 0.000 0.631 279 c N -0.062 118.528 118.600 -0.017 0.000 4.895 279 c HA 0.037 4.565 4.570 -0.071 0.000 0.352 279 c C 0.595 174.677 174.090 -0.013 0.000 1.840 279 c CA -0.091 56.226 56.329 -0.020 0.000 1.791 279 c CB -0.548 41.941 42.510 -0.035 0.000 2.406 279 c HN 0.721 nan 8.230 nan 0.000 0.543 280 E N 1.668 121.864 120.200 -0.008 0.000 2.464 280 E HA 0.347 4.654 4.350 -0.071 0.000 0.260 280 E C -0.611 175.994 176.600 0.009 0.000 1.318 280 E CA 0.245 56.645 56.400 0.001 0.000 1.571 280 E CB 0.244 29.945 29.700 0.001 0.000 1.525 280 E HN 0.487 nan 8.360 nan 0.000 0.449 281 K N 1.638 122.044 120.400 0.009 0.000 2.656 281 K HA 0.226 4.503 4.320 -0.071 0.000 0.253 281 K C -2.771 173.843 176.600 0.022 0.000 1.002 281 K CA -1.916 54.384 56.287 0.021 0.000 0.880 281 K CB 2.100 34.613 32.500 0.021 0.000 1.232 281 K HN -0.072 nan 8.250 nan 0.000 0.456 282 P HA -0.228 nan 4.420 nan 0.000 0.255 282 P C 0.805 178.127 177.300 0.037 0.000 1.123 282 P CA 0.351 63.473 63.100 0.036 0.000 0.766 282 P CB 0.398 32.128 31.700 0.050 0.000 0.705 283 L N 6.052 127.289 121.223 0.024 0.000 2.350 283 L HA -0.405 3.893 4.340 -0.071 0.000 0.250 283 L C 2.255 179.132 176.870 0.011 0.000 1.109 283 L CA 2.661 57.508 54.840 0.013 0.000 0.820 283 L CB -1.347 40.719 42.059 0.012 0.000 0.977 283 L HN 0.422 nan 8.230 nan 0.000 0.423 284 L N -1.656 119.587 121.223 0.033 0.000 2.542 284 L HA -0.495 3.803 4.340 -0.071 0.000 0.239 284 L C 2.247 179.113 176.870 -0.008 0.000 1.492 284 L CA 2.449 57.337 54.840 0.081 0.000 0.776 284 L CB -1.280 40.884 42.059 0.175 0.000 1.200 284 L HN 0.542 nan 8.230 nan 0.000 0.399 285 E N -0.837 119.376 120.200 0.023 0.000 2.274 285 E HA -0.133 4.174 4.350 -0.071 0.000 0.194 285 E C 1.938 178.437 176.600 -0.168 0.000 0.996 285 E CA 0.713 57.018 56.400 -0.159 0.000 0.840 285 E CB -0.014 29.744 29.700 0.098 0.000 0.772 285 E HN 0.347 nan 8.360 nan 0.000 0.491 286 K N 0.476 120.829 120.400 -0.078 0.000 2.001 286 K HA -0.162 4.115 4.320 -0.071 0.000 0.223 286 K C 1.713 178.250 176.600 -0.105 0.000 1.055 286 K CA 1.780 58.028 56.287 -0.065 0.000 0.965 286 K CB -0.224 32.256 32.500 -0.032 0.000 0.730 286 K HN -0.033 nan 8.250 nan 0.000 0.449 287 S N -0.239 115.391 115.700 -0.117 0.000 2.803 287 S HA -0.073 4.355 4.470 -0.071 0.000 0.226 287 S C 0.268 174.766 174.600 -0.171 0.000 0.962 287 S CA 0.435 58.573 58.200 -0.103 0.000 0.968 287 S CB -0.317 62.842 63.200 -0.067 0.000 0.786 287 S HN 0.345 nan 8.310 nan 0.000 0.527 288 H N -0.991 117.806 119.070 -0.456 0.000 2.924 288 H HA 0.315 4.825 4.556 -0.078 0.000 0.229 288 H C 0.764 175.882 175.328 -0.350 0.000 1.345 288 H CA -0.238 55.507 56.048 -0.506 0.000 1.044 288 H CB -0.065 29.081 29.762 -1.026 0.000 2.221 288 H HN 0.350 nan 8.280 nan 0.000 0.574 289 c N -0.729 117.788 118.600 -0.138 0.000 2.374 289 c HA 0.291 4.819 4.570 -0.071 0.000 0.412 289 c C 2.184 176.231 174.090 -0.071 0.000 1.421 289 c CA 0.101 56.388 56.329 -0.071 0.000 2.484 289 c CB -0.778 41.713 42.510 -0.031 0.000 2.598 289 c HN 0.629 nan 8.230 nan 0.000 0.584 290 I N 3.140 123.683 120.570 -0.045 0.000 2.127 290 I HA -0.019 4.109 4.170 -0.071 0.000 0.241 290 I C 1.998 178.101 176.117 -0.024 0.000 1.075 290 I CA 1.377 62.685 61.300 0.013 0.000 1.334 290 I CB -0.585 37.442 38.000 0.046 0.000 1.040 290 I HN 0.526 nan 8.210 nan 0.000 0.405 291 A N 0.615 123.385 122.820 -0.084 0.000 2.504 291 A HA -0.090 4.188 4.320 -0.071 0.000 0.242 291 A C 0.498 177.944 177.584 -0.229 0.000 1.100 291 A CA -0.115 51.841 52.037 -0.135 0.000 0.786 291 A CB -0.159 18.740 19.000 -0.169 0.000 1.050 291 A HN 0.390 nan 8.150 nan 0.000 0.512 292 E N -0.272 119.794 120.200 -0.223 0.000 2.030 292 E HA 0.197 4.505 4.350 -0.071 0.000 0.267 292 E C -1.064 175.421 176.600 -0.191 0.000 1.172 292 E CA 0.114 56.415 56.400 -0.165 0.000 1.080 292 E CB -0.264 29.375 29.700 -0.103 0.000 1.080 292 E HN 0.284 nan 8.360 nan 0.000 0.446 293 V N 3.240 123.065 119.914 -0.148 0.000 2.554 293 V HA 0.075 4.153 4.120 -0.071 0.000 0.258 293 V C -0.349 175.735 176.094 -0.016 0.000 0.919 293 V CA -0.406 61.862 62.300 -0.053 0.000 0.910 293 V CB 1.102 32.917 31.823 -0.012 0.000 1.100 293 V HN 0.321 nan 8.190 nan 0.000 0.491 294 E N 2.722 122.923 120.200 0.003 0.000 2.916 294 E HA 0.233 4.541 4.350 -0.071 0.000 0.217 294 E C 0.108 176.744 176.600 0.059 0.000 1.100 294 E CA -0.216 56.213 56.400 0.048 0.000 0.891 294 E CB 0.707 30.463 29.700 0.092 0.000 1.311 294 E HN 0.633 nan 8.360 nan 0.000 0.421 295 N N 2.508 121.235 118.700 0.044 0.000 2.386 295 N HA -0.081 4.617 4.740 -0.071 0.000 0.273 295 N C -0.706 174.839 175.510 0.059 0.000 1.331 295 N CA 0.026 53.102 53.050 0.044 0.000 0.891 295 N CB 0.506 39.013 38.487 0.033 0.000 1.139 295 N HN 0.189 nan 8.380 nan 0.000 0.487 296 D N 2.228 122.668 120.400 0.068 0.000 2.449 296 D HA -0.059 4.538 4.640 -0.071 0.000 0.236 296 D C 0.174 176.513 176.300 0.064 0.000 1.149 296 D CA 0.370 54.426 54.000 0.092 0.000 0.878 296 D CB 0.635 41.477 40.800 0.069 0.000 1.198 296 D HN 0.406 nan 8.370 nan 0.000 0.446 297 E N 1.648 121.889 120.200 0.069 0.000 2.028 297 E HA 0.081 4.389 4.350 -0.071 0.000 0.275 297 E C -0.269 176.355 176.600 0.039 0.000 1.171 297 E CA -0.612 55.809 56.400 0.035 0.000 1.186 297 E CB 0.140 29.845 29.700 0.007 0.000 1.256 297 E HN 0.406 nan 8.360 nan 0.000 0.474 298 M N 1.633 121.252 119.600 0.032 0.000 2.216 298 M HA -0.028 4.409 4.480 -0.071 0.000 0.317 298 M C -2.137 174.167 176.300 0.007 0.000 1.015 298 M CA 0.264 55.573 55.300 0.015 0.000 1.045 298 M CB 0.180 32.784 32.600 0.007 0.000 1.538 298 M HN -0.064 nan 8.290 nan 0.000 0.440 299 P HA 0.504 nan 4.420 nan 0.000 0.219 299 P C -0.469 176.822 177.300 -0.015 0.000 1.129 299 P CA 1.207 64.300 63.100 -0.011 0.000 0.910 299 P CB 0.574 32.264 31.700 -0.017 0.000 0.853 300 A N -0.639 122.175 122.820 -0.010 0.000 2.429 300 A HA 0.228 4.506 4.320 -0.071 0.000 0.295 300 A C -0.189 177.396 177.584 0.001 0.000 1.032 300 A CA 0.251 52.287 52.037 -0.002 0.000 0.572 300 A CB -1.008 17.978 19.000 -0.024 0.000 1.487 300 A HN -0.079 nan 8.150 nan 0.000 0.632 301 D N -0.956 119.449 120.400 0.008 0.000 2.354 301 D HA 0.095 4.692 4.640 -0.071 0.000 0.216 301 D C 0.500 176.801 176.300 0.003 0.000 0.970 301 D CA 2.409 56.420 54.000 0.019 0.000 0.905 301 D CB -0.526 40.293 40.800 0.031 0.000 0.903 301 D HN 0.802 nan 8.370 nan 0.000 0.508 302 L N -4.758 116.458 121.223 -0.012 0.000 2.801 302 L HA 0.504 4.802 4.340 -0.071 0.000 0.264 302 L C -2.088 174.766 176.870 -0.027 0.000 1.086 302 L CA -1.273 53.553 54.840 -0.023 0.000 0.920 302 L CB -0.101 41.935 42.059 -0.038 0.000 1.529 302 L HN -0.477 nan 8.230 nan 0.000 0.399 303 P HA 0.154 nan 4.420 nan 0.000 0.217 303 P C 0.575 177.843 177.300 -0.053 0.000 1.153 303 P CA 0.906 63.983 63.100 -0.038 0.000 0.843 303 P CB 0.230 31.910 31.700 -0.033 0.000 0.794 304 S N -0.823 114.841 115.700 -0.060 0.000 3.365 304 S HA -0.203 4.225 4.470 -0.071 0.000 0.377 304 S C 1.102 175.650 174.600 -0.087 0.000 1.043 304 S CA 0.512 58.661 58.200 -0.083 0.000 1.101 304 S CB -1.766 61.374 63.200 -0.100 0.000 0.900 304 S HN 0.187 nan 8.310 nan 0.000 0.480 305 L N -2.204 118.979 121.223 -0.067 0.000 2.854 305 L HA -0.375 3.923 4.340 -0.071 0.000 0.240 305 L C 1.085 177.918 176.870 -0.061 0.000 2.737 305 L CA 2.239 57.046 54.840 -0.056 0.000 0.824 305 L CB -1.646 40.383 42.059 -0.051 0.000 2.021 305 L HN 0.703 nan 8.230 nan 0.000 0.397 306 A N -1.370 121.411 122.820 -0.066 0.000 2.479 306 A HA 0.794 5.071 4.320 -0.071 0.000 0.296 306 A C -0.378 177.168 177.584 -0.063 0.000 1.121 306 A CA 0.112 52.121 52.037 -0.046 0.000 0.743 306 A CB 1.672 20.657 19.000 -0.025 0.000 1.323 306 A HN 0.542 nan 8.150 nan 0.000 0.415 307 A N 1.043 123.845 122.820 -0.029 0.000 3.173 307 A HA 0.559 4.836 4.320 -0.071 0.000 0.304 307 A C -0.724 176.843 177.584 -0.030 0.000 1.318 307 A CA -0.232 51.788 52.037 -0.028 0.000 1.069 307 A CB -0.355 18.632 19.000 -0.023 0.000 1.147 307 A HN 0.517 nan 8.150 nan 0.000 0.547 308 D N 0.375 120.763 120.400 -0.020 0.000 2.892 308 D HA 0.225 4.823 4.640 -0.071 0.000 0.291 308 D C -0.115 176.281 176.300 0.160 0.000 1.341 308 D CA 0.036 54.027 54.000 -0.014 0.000 0.844 308 D CB 0.230 41.006 40.800 -0.040 0.000 1.093 308 D HN 0.401 nan 8.370 nan 0.000 0.480 309 F N 0.453 120.363 119.950 -0.067 0.000 2.653 309 F HA 0.004 4.489 4.527 -0.071 0.000 0.288 309 F C 1.981 177.783 175.800 0.003 0.000 1.121 309 F CA 0.138 58.121 58.000 -0.028 0.000 1.384 309 F CB 0.238 39.245 39.000 0.012 0.000 1.115 309 F HN -0.034 nan 8.300 nan 0.000 0.599 310 V N -2.387 117.574 119.914 0.078 0.000 3.563 310 V HA 0.220 4.298 4.120 -0.071 0.000 0.299 310 V C 0.786 176.832 176.094 -0.081 0.000 1.290 310 V CA 0.711 62.949 62.300 -0.103 0.000 1.201 310 V CB -0.013 31.462 31.823 -0.579 0.000 1.045 310 V HN 0.131 nan 8.190 nan 0.000 0.425 311 E N 0.156 120.345 120.200 -0.018 0.000 4.347 311 E HA 0.332 4.640 4.350 -0.071 0.000 0.170 311 E C 0.623 177.304 176.600 0.135 0.000 1.224 311 E CA 0.361 56.765 56.400 0.006 0.000 0.735 311 E CB 0.549 30.102 29.700 -0.244 0.000 2.611 311 E HN 0.299 nan 8.360 nan 0.000 0.520 312 S N 1.439 117.148 115.700 0.015 0.000 3.800 312 S HA 0.069 4.497 4.470 -0.071 0.000 0.174 312 S C 0.236 174.873 174.600 0.062 0.000 1.061 312 S CA 0.680 58.892 58.200 0.020 0.000 0.993 312 S CB -0.626 62.568 63.200 -0.009 0.000 1.535 312 S HN 0.131 nan 8.310 nan 0.000 0.457 313 K N 0.781 121.244 120.400 0.106 0.000 2.469 313 K HA 0.416 4.694 4.320 -0.071 0.000 0.268 313 K C -1.969 174.754 176.600 0.205 0.000 1.027 313 K CA -0.758 55.584 56.287 0.092 0.000 0.893 313 K CB 1.362 33.862 32.500 0.000 0.000 1.460 313 K HN -0.058 nan 8.250 nan 0.000 0.449 314 D N 1.692 122.208 120.400 0.194 0.000 2.432 314 D HA 0.270 4.867 4.640 -0.071 0.000 0.265 314 D C -1.521 174.843 176.300 0.107 0.000 1.160 314 D CA -0.376 53.837 54.000 0.354 0.000 0.911 314 D CB 0.799 41.753 40.800 0.257 0.000 1.052 314 D HN 0.306 nan 8.370 nan 0.000 0.508 315 V N 1.991 121.936 119.914 0.052 0.000 2.666 315 V HA 0.240 4.318 4.120 -0.071 0.000 0.261 315 V C 1.372 177.442 176.094 -0.041 0.000 0.892 315 V CA -0.941 61.347 62.300 -0.019 0.000 0.937 315 V CB -0.410 31.332 31.823 -0.134 0.000 1.063 315 V HN 0.454 nan 8.190 nan 0.000 0.494 316 c N 3.358 121.965 118.600 0.011 0.000 2.581 316 c HA -0.053 4.475 4.570 -0.071 0.000 0.287 316 c C 2.511 176.479 174.090 -0.203 0.000 1.241 316 c CA 2.014 58.289 56.329 -0.091 0.000 1.747 316 c CB -0.234 42.343 42.510 0.111 0.000 2.090 316 c HN 0.938 nan 8.230 nan 0.000 0.460 317 K N 0.024 120.347 120.400 -0.128 0.000 2.099 317 K HA 0.002 4.280 4.320 -0.071 0.000 0.203 317 K C 1.915 178.421 176.600 -0.158 0.000 1.047 317 K CA 1.223 57.401 56.287 -0.182 0.000 0.963 317 K CB -0.433 32.003 32.500 -0.107 0.000 0.759 317 K HN 0.587 nan 8.250 nan 0.000 0.451 318 N N 0.112 118.770 118.700 -0.069 0.000 2.165 318 N HA -0.289 4.409 4.740 -0.071 0.000 0.198 318 N C 0.747 176.263 175.510 0.009 0.000 0.999 318 N CA 1.607 54.640 53.050 -0.027 0.000 0.893 318 N CB -0.067 38.416 38.487 -0.006 0.000 1.025 318 N HN 0.276 nan 8.380 nan 0.000 0.456 319 Y N -1.280 118.899 120.300 -0.203 0.000 2.713 319 Y HA 0.611 5.119 4.550 -0.070 0.000 0.269 319 Y C -0.470 175.228 175.900 -0.336 0.000 1.106 319 Y CA -0.277 57.713 58.100 -0.184 0.000 1.174 319 Y CB 0.411 38.778 38.460 -0.155 0.000 1.186 319 Y HN 0.137 nan 8.280 nan 0.000 0.555 320 A N 0.502 123.090 122.820 -0.387 0.000 3.368 320 A HA 0.414 4.692 4.320 -0.071 0.000 0.211 320 A C -0.041 177.319 177.584 -0.373 0.000 1.004 320 A CA -0.276 51.308 52.037 -0.754 0.000 1.059 320 A CB -0.183 18.029 19.000 -1.313 0.000 1.298 320 A HN 0.244 nan 8.150 nan 0.000 0.613 321 E N 0.175 120.249 120.200 -0.210 0.000 2.538 321 E HA 0.402 4.709 4.350 -0.071 0.000 0.207 321 E C 0.557 177.117 176.600 -0.065 0.000 1.002 321 E CA 0.721 57.052 56.400 -0.114 0.000 0.952 321 E CB 0.978 30.634 29.700 -0.073 0.000 1.031 321 E HN 0.634 nan 8.360 nan 0.000 0.476 322 A N 1.261 124.040 122.820 -0.067 0.000 2.478 322 A HA 0.236 4.514 4.320 -0.071 0.000 0.327 322 A C 1.325 178.938 177.584 0.049 0.000 1.431 322 A CA -0.349 51.691 52.037 0.004 0.000 1.014 322 A CB 0.216 19.228 19.000 0.020 0.000 1.143 322 A HN 0.134 nan 8.150 nan 0.000 0.532 323 K N 2.345 122.777 120.400 0.053 0.000 1.969 323 K HA -0.212 4.066 4.320 -0.071 0.000 0.216 323 K C 0.943 177.643 176.600 0.166 0.000 1.048 323 K CA 2.275 58.620 56.287 0.096 0.000 0.948 323 K CB -0.200 32.344 32.500 0.072 0.000 0.726 323 K HN 0.723 nan 8.250 nan 0.000 0.442 324 D N 0.604 121.088 120.400 0.140 0.000 2.104 324 D HA -0.169 4.429 4.640 -0.071 0.000 0.194 324 D C 2.007 178.433 176.300 0.209 0.000 0.994 324 D CA 2.036 56.133 54.000 0.160 0.000 0.830 324 D CB -0.301 40.576 40.800 0.129 0.000 0.959 324 D HN 0.389 nan 8.370 nan 0.000 0.452 325 V N -1.516 118.524 119.914 0.210 0.000 3.129 325 V HA -0.047 4.030 4.120 -0.071 0.000 0.259 325 V C 2.121 178.287 176.094 0.120 0.000 1.116 325 V CA 0.485 62.934 62.300 0.248 0.000 1.127 325 V CB -0.807 31.177 31.823 0.268 0.000 0.742 325 V HN -0.099 nan 8.190 nan 0.000 0.474 326 F N 1.056 121.005 119.950 -0.001 0.000 2.060 326 F HA -0.003 4.482 4.527 -0.070 0.000 0.295 326 F C 2.115 177.977 175.800 0.104 0.000 1.120 326 F CA 1.776 59.764 58.000 -0.020 0.000 1.205 326 F CB -0.338 38.659 39.000 -0.006 0.000 0.986 326 F HN 0.053 nan 8.300 nan 0.000 0.470 327 L N 0.345 121.680 121.223 0.186 0.000 2.042 327 L HA -0.188 4.110 4.340 -0.071 0.000 0.210 327 L C 2.754 179.719 176.870 0.159 0.000 1.076 327 L CA 2.021 56.983 54.840 0.202 0.000 0.749 327 L CB -2.440 39.773 42.059 0.257 0.000 0.893 327 L HN 0.382 nan 8.230 nan 0.000 0.432 328 G N -0.828 108.082 108.800 0.182 0.000 2.442 328 G HA2 -0.333 3.585 3.960 -0.071 0.000 0.219 328 G HA3 -0.333 3.585 3.960 -0.071 0.000 0.219 328 G C 1.691 176.687 174.900 0.160 0.000 1.141 328 G CA 1.008 46.288 45.100 0.300 0.000 0.763 328 G HN 0.364 nan 8.290 nan 0.000 0.554 329 M N -1.252 118.203 119.600 -0.242 0.000 2.514 329 M HA 0.305 4.743 4.480 -0.071 0.000 0.258 329 M C 1.881 178.119 176.300 -0.103 0.000 1.119 329 M CA 0.144 55.232 55.300 -0.352 0.000 1.111 329 M CB 0.052 32.315 32.600 -0.563 0.000 1.390 329 M HN 0.136 nan 8.290 nan 0.000 0.475 330 F N 1.089 120.866 119.950 -0.289 0.000 1.999 330 F HA -0.196 4.289 4.527 -0.070 0.000 0.293 330 F C 1.819 177.587 175.800 -0.053 0.000 1.173 330 F CA 1.400 59.239 58.000 -0.268 0.000 1.162 330 F CB -1.160 37.622 39.000 -0.363 0.000 0.981 330 F HN 0.072 nan 8.300 nan 0.000 0.479 331 L N 0.528 121.674 121.223 -0.129 0.000 2.056 331 L HA -0.355 3.943 4.340 -0.071 0.000 0.237 331 L C 2.482 179.345 176.870 -0.012 0.000 1.106 331 L CA 2.831 57.590 54.840 -0.135 0.000 0.829 331 L CB -2.146 39.924 42.059 0.019 0.000 0.924 331 L HN 0.580 nan 8.230 nan 0.000 0.447 332 Y N 0.431 120.735 120.300 0.007 0.000 2.081 332 Y HA -0.243 4.265 4.550 -0.069 0.000 0.280 332 Y C 2.465 178.378 175.900 0.022 0.000 1.163 332 Y CA 2.347 60.488 58.100 0.069 0.000 1.135 332 Y CB -0.649 37.970 38.460 0.264 0.000 0.970 332 Y HN 0.379 nan 8.280 nan 0.000 0.498 333 E N -0.994 118.989 120.200 -0.361 0.000 2.152 333 E HA -0.191 4.117 4.350 -0.071 0.000 0.192 333 E C 2.094 178.559 176.600 -0.225 0.000 0.983 333 E CA 1.032 57.141 56.400 -0.484 0.000 0.818 333 E CB -0.627 28.831 29.700 -0.404 0.000 0.758 333 E HN 0.581 nan 8.360 nan 0.000 0.467 334 Y N 1.184 121.289 120.300 -0.325 0.000 2.242 334 Y HA -0.110 4.398 4.550 -0.070 0.000 0.291 334 Y C 2.228 177.977 175.900 -0.251 0.000 1.137 334 Y CA 0.776 58.670 58.100 -0.343 0.000 1.181 334 Y CB -0.614 37.467 38.460 -0.631 0.000 0.989 334 Y HN -0.011 nan 8.280 nan 0.000 0.527 335 A N 0.297 123.111 122.820 -0.011 0.000 1.877 335 A HA -0.189 4.089 4.320 -0.071 0.000 0.216 335 A C 2.453 180.029 177.584 -0.013 0.000 1.186 335 A CA 1.481 53.510 52.037 -0.014 0.000 0.620 335 A CB -0.590 18.427 19.000 0.027 0.000 0.822 335 A HN 0.339 nan 8.150 nan 0.000 0.443 336 R N -0.101 120.378 120.500 -0.036 0.000 2.133 336 R HA -0.196 4.102 4.340 -0.071 0.000 0.245 336 R C 1.664 177.904 176.300 -0.101 0.000 1.137 336 R CA 2.001 58.069 56.100 -0.053 0.000 0.947 336 R CB -0.400 29.822 30.300 -0.131 0.000 0.865 336 R HN 0.699 nan 8.270 nan 0.000 0.437 337 R N -0.161 120.208 120.500 -0.219 0.000 2.391 337 R HA 0.126 4.423 4.340 -0.071 0.000 0.249 337 R C -0.159 175.923 176.300 -0.363 0.000 0.957 337 R CA 0.146 56.059 56.100 -0.311 0.000 1.093 337 R CB 0.247 30.305 30.300 -0.404 0.000 1.156 337 R HN 0.193 nan 8.270 nan 0.000 0.526 338 H N 0.331 119.342 119.070 -0.097 0.000 2.597 338 H HA 0.223 4.736 4.556 -0.071 0.000 0.225 338 H C -2.183 173.061 175.328 -0.140 0.000 1.422 338 H CA -2.718 53.217 56.048 -0.189 0.000 1.335 338 H CB 1.181 30.831 29.762 -0.188 0.000 1.783 338 H HN 0.038 nan 8.280 nan 0.000 0.513 339 P HA -0.052 nan 4.420 nan 0.000 0.239 339 P C 1.012 178.295 177.300 -0.029 0.000 1.184 339 P CA 0.899 63.992 63.100 -0.011 0.000 0.760 339 P CB 0.348 32.043 31.700 -0.009 0.000 0.884 340 D N -2.732 117.619 120.400 -0.083 0.000 2.369 340 D HA -0.027 4.570 4.640 -0.071 0.000 0.211 340 D C -0.329 175.956 176.300 -0.026 0.000 1.077 340 D CA -0.017 53.919 54.000 -0.107 0.000 0.842 340 D CB 0.078 40.776 40.800 -0.171 0.000 0.947 340 D HN 0.084 nan 8.370 nan 0.000 0.509 341 Y N 1.553 121.772 120.300 -0.134 0.000 2.462 341 Y HA 0.281 4.789 4.550 -0.071 0.000 0.346 341 Y C 0.469 176.258 175.900 -0.184 0.000 0.976 341 Y CA -2.318 55.659 58.100 -0.204 0.000 1.044 341 Y CB 1.884 40.140 38.460 -0.339 0.000 1.230 341 Y HN -0.125 nan 8.280 nan 0.000 0.455 342 S N 0.564 116.236 115.700 -0.046 0.000 2.564 342 S HA 0.207 4.635 4.470 -0.071 0.000 0.278 342 S C 1.164 175.635 174.600 -0.214 0.000 1.333 342 S CA -0.355 57.765 58.200 -0.134 0.000 1.048 342 S CB 1.474 64.586 63.200 -0.146 0.000 0.900 342 S HN 0.697 nan 8.310 nan 0.000 0.505 343 V N 3.717 123.462 119.914 -0.282 0.000 2.231 343 V HA -0.209 3.868 4.120 -0.071 0.000 0.250 343 V C 2.111 177.968 176.094 -0.396 0.000 1.058 343 V CA 2.622 64.694 62.300 -0.379 0.000 1.022 343 V CB -0.901 30.582 31.823 -0.567 0.000 0.640 343 V HN 0.822 nan 8.190 nan 0.000 0.445 344 V N 0.258 119.922 119.914 -0.417 0.000 2.439 344 V HA -0.274 3.804 4.120 -0.071 0.000 0.253 344 V C 2.439 178.375 176.094 -0.263 0.000 1.074 344 V CA 2.329 64.428 62.300 -0.335 0.000 1.076 344 V CB -0.770 30.892 31.823 -0.268 0.000 0.664 344 V HN 0.607 nan 8.190 nan 0.000 0.461 345 L N -0.836 120.224 121.223 -0.272 0.000 2.007 345 L HA -0.083 4.215 4.340 -0.071 0.000 0.205 345 L C 2.336 178.994 176.870 -0.354 0.000 1.073 345 L CA 2.022 56.681 54.840 -0.301 0.000 0.744 345 L CB -0.867 40.977 42.059 -0.357 0.000 0.898 345 L HN 0.270 nan 8.230 nan 0.000 0.435 346 L N -0.154 120.840 121.223 -0.382 0.000 2.187 346 L HA -0.220 4.078 4.340 -0.071 0.000 0.213 346 L C 2.323 178.964 176.870 -0.381 0.000 1.100 346 L CA 1.071 55.637 54.840 -0.457 0.000 0.765 346 L CB -0.905 40.914 42.059 -0.399 0.000 0.904 346 L HN 0.246 nan 8.230 nan 0.000 0.437 347 L N -0.909 120.139 121.223 -0.292 0.000 2.217 347 L HA -0.126 4.172 4.340 -0.071 0.000 0.211 347 L C 2.559 179.342 176.870 -0.145 0.000 1.107 347 L CA 1.431 56.152 54.840 -0.199 0.000 0.783 347 L CB -0.767 41.176 42.059 -0.194 0.000 0.919 347 L HN 0.265 nan 8.230 nan 0.000 0.442 348 R N -1.018 119.375 120.500 -0.179 0.000 2.092 348 R HA -0.074 4.224 4.340 -0.071 0.000 0.231 348 R C 2.097 178.293 176.300 -0.174 0.000 1.119 348 R CA 0.974 56.990 56.100 -0.139 0.000 0.970 348 R CB -0.101 30.108 30.300 -0.152 0.000 0.864 348 R HN 0.335 nan 8.270 nan 0.000 0.440 349 L N -0.516 120.493 121.223 -0.357 0.000 2.376 349 L HA 0.020 4.317 4.340 -0.071 0.000 0.219 349 L C 1.986 178.783 176.870 -0.121 0.000 1.133 349 L CA 0.605 55.117 54.840 -0.547 0.000 0.816 349 L CB -0.289 41.205 42.059 -0.941 0.000 0.933 349 L HN 0.182 nan 8.230 nan 0.000 0.449 350 A N -0.846 121.928 122.820 -0.077 0.000 2.275 350 A HA 0.062 4.340 4.320 -0.071 0.000 0.212 350 A C 1.715 179.415 177.584 0.192 0.000 1.201 350 A CA 0.355 52.467 52.037 0.125 0.000 0.843 350 A CB 0.037 19.037 19.000 -0.000 0.000 0.873 350 A HN 0.073 nan 8.150 nan 0.000 0.492 351 K N -1.105 119.377 120.400 0.137 0.000 2.402 351 K HA 0.177 4.454 4.320 -0.071 0.000 0.204 351 K C 0.843 177.558 176.600 0.191 0.000 1.056 351 K CA 0.766 57.146 56.287 0.156 0.000 1.069 351 K CB 0.498 33.057 32.500 0.099 0.000 0.888 351 K HN 0.302 nan 8.250 nan 0.000 0.546 352 T N -0.759 113.955 114.554 0.268 0.000 3.023 352 T HA 0.088 4.396 4.350 -0.071 0.000 0.253 352 T C 0.925 175.962 174.700 0.561 0.000 1.038 352 T CA -0.056 62.275 62.100 0.385 0.000 0.962 352 T CB -0.128 69.026 68.868 0.477 0.000 1.018 352 T HN 0.004 nan 8.240 nan 0.000 0.521 353 Y N 2.707 123.280 120.300 0.455 0.000 2.113 353 Y HA -0.038 4.470 4.550 -0.071 0.000 0.269 353 Y C 2.569 178.576 175.900 0.177 0.000 1.098 353 Y CA 1.313 59.574 58.100 0.269 0.000 1.083 353 Y CB -0.495 38.082 38.460 0.194 0.000 0.997 353 Y HN 0.120 nan 8.280 nan 0.000 0.476 354 E N -0.787 119.565 120.200 0.252 0.000 2.108 354 E HA -0.285 4.023 4.350 -0.071 0.000 0.203 354 E C 1.831 178.469 176.600 0.062 0.000 1.022 354 E CA 2.577 59.059 56.400 0.136 0.000 0.823 354 E CB -0.156 29.653 29.700 0.181 0.000 0.744 354 E HN 0.565 nan 8.360 nan 0.000 0.456 355 T N -0.063 114.545 114.554 0.089 0.000 2.588 355 T HA -0.132 4.176 4.350 -0.071 0.000 0.261 355 T C 2.008 176.723 174.700 0.026 0.000 1.069 355 T CA 1.934 64.071 62.100 0.062 0.000 1.172 355 T CB -0.842 68.075 68.868 0.081 0.000 0.863 355 T HN 0.215 nan 8.240 nan 0.000 0.408 356 T N 2.274 116.850 114.554 0.037 0.000 2.635 356 T HA -0.088 4.220 4.350 -0.071 0.000 0.267 356 T C 1.884 176.547 174.700 -0.062 0.000 1.040 356 T CA 1.080 63.187 62.100 0.011 0.000 1.156 356 T CB -0.622 68.275 68.868 0.048 0.000 0.863 356 T HN 0.044 nan 8.240 nan 0.000 0.430 357 L N 0.579 121.687 121.223 -0.191 0.000 2.349 357 L HA -0.051 4.247 4.340 -0.071 0.000 0.220 357 L C 2.242 179.026 176.870 -0.143 0.000 1.130 357 L CA 1.464 56.138 54.840 -0.276 0.000 0.791 357 L CB -0.357 41.376 42.059 -0.543 0.000 0.918 357 L HN 0.176 nan 8.230 nan 0.000 0.444 358 E N -1.660 118.493 120.200 -0.078 0.000 2.307 358 E HA -0.046 4.262 4.350 -0.071 0.000 0.195 358 E C 1.902 178.493 176.600 -0.016 0.000 0.975 358 E CA 0.093 56.470 56.400 -0.039 0.000 0.878 358 E CB 0.102 29.794 29.700 -0.014 0.000 0.845 358 E HN -0.047 nan 8.360 nan 0.000 0.488 359 K N -0.456 119.939 120.400 -0.007 0.000 2.281 359 K HA -0.034 4.244 4.320 -0.071 0.000 0.203 359 K C 0.251 176.859 176.600 0.013 0.000 1.046 359 K CA 0.694 56.986 56.287 0.008 0.000 0.938 359 K CB -0.204 32.306 32.500 0.018 0.000 0.737 359 K HN 0.304 nan 8.250 nan 0.000 0.458 360 c N -2.857 115.750 118.600 0.012 0.000 3.117 360 c HA 0.316 4.843 4.570 -0.071 0.000 0.278 360 c C 1.165 175.287 174.090 0.053 0.000 2.067 360 c CA -1.405 54.949 56.329 0.040 0.000 1.202 360 c CB -1.424 41.127 42.510 0.068 0.000 2.170 360 c HN 0.283 nan 8.230 nan 0.000 0.600 361 c N 0.272 118.875 118.600 0.005 0.000 2.912 361 c HA 0.498 5.026 4.570 -0.071 0.000 0.274 361 c C 2.454 176.548 174.090 0.007 0.000 1.248 361 c CA 1.344 57.674 56.329 0.002 0.000 1.694 361 c CB -0.847 41.627 42.510 -0.060 0.000 2.024 361 c HN 0.871 nan 8.230 nan 0.000 0.605 362 A N 1.088 123.911 122.820 0.005 0.000 2.172 362 A HA 0.621 4.899 4.320 -0.071 0.000 0.215 362 A C 1.076 178.666 177.584 0.010 0.000 1.610 362 A CA 1.015 53.054 52.037 0.003 0.000 0.606 362 A CB -1.064 17.936 19.000 0.001 0.000 1.182 362 A HN 0.556 nan 8.150 nan 0.000 0.499 363 A N -2.344 120.482 122.820 0.011 0.000 2.312 363 A HA 0.620 4.898 4.320 -0.071 0.000 0.326 363 A C 0.620 178.210 177.584 0.009 0.000 1.172 363 A CA 0.211 52.252 52.037 0.008 0.000 0.821 363 A CB 0.149 19.152 19.000 0.004 0.000 1.166 363 A HN 2.433 nan 8.150 nan 0.000 0.493 364 A N 2.297 125.119 122.820 0.002 0.000 2.734 364 A HA -0.036 4.242 4.320 -0.071 0.000 0.294 364 A C 0.028 177.609 177.584 -0.005 0.000 1.455 364 A CA 0.793 52.828 52.037 -0.003 0.000 0.730 364 A CB -2.606 16.393 19.000 -0.002 0.000 1.077 364 A HN 1.673 nan 8.150 nan 0.000 0.448 365 D N -0.194 120.201 120.400 -0.009 0.000 2.383 365 D HA 0.448 5.046 4.640 -0.071 0.000 0.233 365 D C -0.791 175.495 176.300 -0.023 0.000 1.233 365 D CA 0.536 54.530 54.000 -0.011 0.000 0.881 365 D CB 0.292 41.070 40.800 -0.037 0.000 1.212 365 D HN 0.401 nan 8.370 nan 0.000 0.467 366 P HA 0.267 nan 4.420 nan 0.000 0.297 366 P C 0.105 177.427 177.300 0.037 0.000 1.136 366 P CA -0.236 62.836 63.100 -0.048 0.000 0.704 366 P CB 0.529 32.166 31.700 -0.105 0.000 1.779 367 H N -0.580 118.370 119.070 -0.200 0.000 2.497 367 H HA 0.146 4.660 4.556 -0.070 0.000 0.282 367 H C 1.623 176.663 175.328 -0.480 0.000 1.003 367 H CA 0.901 56.692 56.048 -0.428 0.000 1.307 367 H CB -0.081 29.379 29.762 -0.503 0.000 1.437 367 H HN 0.347 nan 8.280 nan 0.000 0.544 368 E N 0.155 120.268 120.200 -0.145 0.000 2.219 368 E HA -0.222 4.086 4.350 -0.071 0.000 0.198 368 E C 2.383 178.913 176.600 -0.116 0.000 0.998 368 E CA 1.034 57.349 56.400 -0.142 0.000 0.818 368 E CB -0.544 29.111 29.700 -0.074 0.000 0.741 368 E HN 0.483 nan 8.360 nan 0.000 0.477 369 c N 1.814 120.371 118.600 -0.071 0.000 2.367 369 c HA -0.224 4.303 4.570 -0.071 0.000 0.276 369 c C 2.829 176.950 174.090 0.052 0.000 1.195 369 c CA 1.564 57.896 56.329 0.005 0.000 1.756 369 c CB -1.464 41.077 42.510 0.051 0.000 2.046 369 c HN 0.614 nan 8.230 nan 0.000 0.453 370 Y N 1.757 122.014 120.300 -0.073 0.000 2.529 370 Y HA 0.596 5.104 4.550 -0.070 0.000 0.290 370 Y C 1.003 176.842 175.900 -0.101 0.000 1.177 370 Y CA -0.306 57.736 58.100 -0.096 0.000 1.305 370 Y CB -1.326 37.049 38.460 -0.141 0.000 1.047 370 Y HN 0.453 nan 8.280 nan 0.000 0.522 371 A N 2.029 124.798 122.820 -0.085 0.000 2.515 371 A HA 0.126 4.404 4.320 -0.071 0.000 0.263 371 A C 0.703 178.263 177.584 -0.039 0.000 1.096 371 A CA -0.342 51.632 52.037 -0.105 0.000 0.769 371 A CB -0.528 18.390 19.000 -0.136 0.000 1.040 371 A HN 0.570 nan 8.150 nan 0.000 0.505 372 K N 1.735 122.107 120.400 -0.046 0.000 3.834 372 K HA -0.205 4.072 4.320 -0.071 0.000 0.276 372 K C 1.041 177.626 176.600 -0.025 0.000 0.850 372 K CA 0.445 56.724 56.287 -0.013 0.000 0.704 372 K CB -1.794 30.721 32.500 0.024 0.000 1.644 372 K HN 0.898 nan 8.250 nan 0.000 0.440 373 V N -2.522 117.347 119.914 -0.075 0.000 2.363 373 V HA -0.347 3.731 4.120 -0.071 0.000 0.254 373 V C 1.886 177.628 176.094 -0.587 0.000 1.074 373 V CA 1.934 64.037 62.300 -0.329 0.000 1.069 373 V CB -0.738 30.860 31.823 -0.374 0.000 0.659 373 V HN 0.383 nan 8.190 nan 0.000 0.455 374 F N 1.345 120.995 119.950 -0.500 0.000 2.214 374 F HA -0.150 4.335 4.527 -0.070 0.000 0.302 374 F C 1.483 177.268 175.800 -0.025 0.000 1.063 374 F CA 1.790 59.714 58.000 -0.127 0.000 1.319 374 F CB -0.739 38.298 39.000 0.061 0.000 1.046 374 F HN 0.339 nan 8.300 nan 0.000 0.505 375 D N -1.375 119.081 120.400 0.094 0.000 2.788 375 D HA 0.149 4.746 4.640 -0.071 0.000 0.289 375 D C 0.744 177.062 176.300 0.029 0.000 1.340 375 D CA 0.160 54.206 54.000 0.077 0.000 0.831 375 D CB 0.052 40.902 40.800 0.082 0.000 1.103 375 D HN 0.313 nan 8.370 nan 0.000 0.476 376 E N -1.408 118.789 120.200 -0.006 0.000 2.712 376 E HA 0.100 4.408 4.350 -0.071 0.000 0.221 376 E C 0.875 177.549 176.600 0.124 0.000 0.943 376 E CA -0.285 56.142 56.400 0.045 0.000 1.259 376 E CB -0.698 29.023 29.700 0.034 0.000 1.167 376 E HN -0.091 nan 8.360 nan 0.000 0.569 377 F N 2.434 122.452 119.950 0.113 0.000 2.043 377 F HA -0.104 4.381 4.527 -0.070 0.000 0.297 377 F C 2.118 177.929 175.800 0.017 0.000 1.118 377 F CA 1.722 59.766 58.000 0.073 0.000 1.202 377 F CB -0.772 38.270 39.000 0.071 0.000 0.965 377 F HN 0.145 nan 8.300 nan 0.000 0.482 378 K N 0.124 120.664 120.400 0.233 0.000 2.374 378 K HA -0.209 4.069 4.320 -0.071 0.000 0.202 378 K C -0.977 175.654 176.600 0.052 0.000 1.044 378 K CA 1.097 57.450 56.287 0.111 0.000 0.933 378 K CB -0.874 31.685 32.500 0.098 0.000 0.745 378 K HN 0.206 nan 8.250 nan 0.000 0.474 379 P HA -0.178 nan 4.420 nan 0.000 0.213 379 P C 0.651 177.947 177.300 -0.007 0.000 1.170 379 P CA 1.334 64.450 63.100 0.027 0.000 0.898 379 P CB -0.286 31.436 31.700 0.038 0.000 0.787 380 L N -2.020 119.201 121.223 -0.004 0.000 2.803 380 L HA 0.169 4.466 4.340 -0.071 0.000 0.241 380 L C 0.774 177.542 176.870 -0.170 0.000 1.404 380 L CA 0.335 55.133 54.840 -0.069 0.000 1.211 380 L CB -0.761 41.266 42.059 -0.053 0.000 1.585 380 L HN -0.208 nan 8.230 nan 0.000 0.430 381 V N -2.860 116.947 119.914 -0.179 0.000 3.410 381 V HA 0.028 4.105 4.120 -0.071 0.000 0.257 381 V C 1.761 177.735 176.094 -0.200 0.000 1.757 381 V CA 0.079 62.190 62.300 -0.315 0.000 1.047 381 V CB 0.471 32.075 31.823 -0.364 0.000 0.915 381 V HN 0.348 nan 8.190 nan 0.000 0.371 382 E N 0.944 121.082 120.200 -0.104 0.000 2.060 382 E HA -0.158 4.150 4.350 -0.071 0.000 0.189 382 E C 1.943 178.509 176.600 -0.057 0.000 0.974 382 E CA 1.413 57.778 56.400 -0.060 0.000 0.808 382 E CB 0.288 29.973 29.700 -0.025 0.000 0.768 382 E HN 0.658 nan 8.360 nan 0.000 0.453 383 E N 1.366 121.533 120.200 -0.056 0.000 2.070 383 E HA -0.150 4.158 4.350 -0.071 0.000 0.197 383 E C -0.893 175.683 176.600 -0.041 0.000 1.004 383 E CA 1.908 58.284 56.400 -0.040 0.000 0.805 383 E CB -0.884 28.797 29.700 -0.032 0.000 0.744 383 E HN 0.099 nan 8.360 nan 0.000 0.451 384 P HA -0.213 nan 4.420 nan 0.000 0.208 384 P C 1.128 178.404 177.300 -0.041 0.000 1.195 384 P CA 1.548 64.613 63.100 -0.059 0.000 0.927 384 P CB -0.306 31.333 31.700 -0.102 0.000 0.778 385 Q N -0.592 119.177 119.800 -0.051 0.000 2.340 385 Q HA -0.266 4.032 4.340 -0.071 0.000 0.215 385 Q C 1.889 177.882 176.000 -0.012 0.000 0.998 385 Q CA 2.041 57.831 55.803 -0.022 0.000 0.921 385 Q CB -0.556 28.171 28.738 -0.019 0.000 0.926 385 Q HN 0.452 nan 8.270 nan 0.000 0.426 386 N N -0.413 118.278 118.700 -0.016 0.000 2.240 386 N HA -0.028 4.670 4.740 -0.071 0.000 0.187 386 N C 1.656 177.164 175.510 -0.003 0.000 1.042 386 N CA 0.373 53.418 53.050 -0.008 0.000 0.861 386 N CB -0.171 38.310 38.487 -0.010 0.000 1.026 386 N HN 0.049 nan 8.380 nan 0.000 0.441 387 L N 1.434 122.656 121.223 -0.001 0.000 2.064 387 L HA -0.158 4.140 4.340 -0.071 0.000 0.216 387 L C 1.014 177.894 176.870 0.018 0.000 1.077 387 L CA 1.356 56.202 54.840 0.010 0.000 0.766 387 L CB -0.391 41.678 42.059 0.017 0.000 0.890 387 L HN 0.263 nan 8.230 nan 0.000 0.435 388 I N 0.101 120.682 120.570 0.017 0.000 3.492 388 I HA -0.177 3.950 4.170 -0.071 0.000 0.305 388 I C 1.962 178.093 176.117 0.024 0.000 1.256 388 I CA 0.972 62.288 61.300 0.028 0.000 1.244 388 I CB -2.015 35.998 38.000 0.022 0.000 1.001 388 I HN 0.533 nan 8.210 nan 0.000 0.536 389 K N 1.574 121.981 120.400 0.011 0.000 2.102 389 K HA -0.088 4.190 4.320 -0.071 0.000 0.208 389 K C 1.516 178.110 176.600 -0.010 0.000 1.027 389 K CA 0.424 56.712 56.287 0.003 0.000 0.958 389 K CB 0.068 32.565 32.500 -0.004 0.000 0.819 389 K HN 0.032 nan 8.250 nan 0.000 0.453 390 Q N 1.152 120.941 119.800 -0.020 0.000 2.265 390 Q HA 0.116 4.414 4.340 -0.071 0.000 0.217 390 Q C 0.423 176.396 176.000 -0.046 0.000 0.916 390 Q CA 0.245 56.017 55.803 -0.050 0.000 0.948 390 Q CB -0.035 28.677 28.738 -0.043 0.000 1.020 390 Q HN 0.381 nan 8.270 nan 0.000 0.462 391 N N -2.158 116.546 118.700 0.006 0.000 2.433 391 N HA 0.019 4.717 4.740 -0.071 0.000 0.213 391 N C -0.063 175.497 175.510 0.084 0.000 1.032 391 N CA 0.382 53.477 53.050 0.074 0.000 1.047 391 N CB 0.262 38.822 38.487 0.121 0.000 1.293 391 N HN 0.189 nan 8.380 nan 0.000 0.524 392 c N 1.470 120.130 118.600 0.099 0.000 2.389 392 c HA 0.196 4.724 4.570 -0.071 0.000 0.416 392 c C 1.350 175.480 174.090 0.067 0.000 1.304 392 c CA 0.092 56.494 56.329 0.122 0.000 1.675 392 c CB -1.944 40.619 42.510 0.088 0.000 1.989 392 c HN 0.549 nan 8.230 nan 0.000 0.591 393 E N -0.719 119.491 120.200 0.015 0.000 2.940 393 E HA 0.062 4.370 4.350 -0.071 0.000 0.203 393 E C 1.927 178.496 176.600 -0.051 0.000 0.995 393 E CA -0.348 56.049 56.400 -0.005 0.000 1.396 393 E CB -0.048 29.640 29.700 -0.021 0.000 1.310 393 E HN 0.248 nan 8.360 nan 0.000 0.613 394 L N 1.182 122.307 121.223 -0.162 0.000 2.137 394 L HA -0.190 4.108 4.340 -0.071 0.000 0.213 394 L C 1.656 178.362 176.870 -0.275 0.000 1.085 394 L CA 1.810 56.486 54.840 -0.273 0.000 0.760 394 L CB -0.732 41.057 42.059 -0.449 0.000 0.893 394 L HN 0.210 nan 8.230 nan 0.000 0.434 395 F N 0.047 120.014 119.950 0.029 0.000 2.123 395 F HA -0.064 4.422 4.527 -0.070 0.000 0.289 395 F C 2.444 178.263 175.800 0.032 0.000 1.099 395 F CA 0.836 58.857 58.000 0.035 0.000 1.234 395 F CB -0.983 38.027 39.000 0.018 0.000 1.034 395 F HN 0.112 nan 8.300 nan 0.000 0.479 396 E N 0.468 120.787 120.200 0.199 0.000 2.024 396 E HA -0.344 3.963 4.350 -0.071 0.000 0.236 396 E C 1.130 177.785 176.600 0.092 0.000 0.995 396 E CA 1.708 58.179 56.400 0.118 0.000 0.904 396 E CB -0.425 29.319 29.700 0.074 0.000 0.823 396 E HN 0.328 nan 8.360 nan 0.000 0.552 397 Q N -0.050 119.785 119.800 0.059 0.000 3.150 397 Q HA 0.227 4.525 4.340 -0.071 0.000 0.297 397 Q C -0.843 175.183 176.000 0.043 0.000 1.382 397 Q CA -0.040 55.791 55.803 0.046 0.000 1.059 397 Q CB 0.051 28.804 28.738 0.025 0.000 1.559 397 Q HN 0.380 nan 8.270 nan 0.000 0.548 398 L N 0.636 121.905 121.223 0.078 0.000 5.164 398 L HA 0.235 4.533 4.340 -0.071 0.000 0.528 398 L C -0.516 176.459 176.870 0.175 0.000 0.818 398 L CA 0.613 55.502 54.840 0.081 0.000 2.105 398 L CB 0.900 42.963 42.059 0.007 0.000 1.642 398 L HN 0.435 nan 8.230 nan 0.000 0.554 399 G N 0.110 109.041 108.800 0.218 0.000 2.951 399 G HA2 0.023 3.940 3.960 -0.071 0.000 0.508 399 G HA3 0.023 3.940 3.960 -0.071 0.000 0.508 399 G C 0.147 175.229 174.900 0.304 0.000 1.203 399 G CA -0.219 45.045 45.100 0.273 0.000 1.209 399 G HN 0.011 nan 8.290 nan 0.000 0.552 400 E N 0.837 121.142 120.200 0.174 0.000 2.000 400 E HA -0.092 4.215 4.350 -0.071 0.000 0.199 400 E C 1.665 178.321 176.600 0.093 0.000 1.011 400 E CA 2.199 58.653 56.400 0.090 0.000 0.836 400 E CB -0.037 29.713 29.700 0.084 0.000 0.778 400 E HN 0.706 nan 8.360 nan 0.000 0.462 401 Y N -0.420 119.871 120.300 -0.016 0.000 2.445 401 Y HA 0.214 4.722 4.550 -0.071 0.000 0.247 401 Y C 1.549 177.415 175.900 -0.056 0.000 1.129 401 Y CA -0.084 57.990 58.100 -0.044 0.000 1.251 401 Y CB 0.459 38.892 38.460 -0.045 0.000 1.176 401 Y HN -0.088 nan 8.280 nan 0.000 0.522 402 K N 0.464 120.958 120.400 0.156 0.000 1.993 402 K HA -0.053 4.225 4.320 -0.071 0.000 0.220 402 K C -0.094 176.382 176.600 -0.207 0.000 1.028 402 K CA 1.729 58.014 56.287 -0.004 0.000 0.994 402 K CB -0.638 31.943 32.500 0.134 0.000 0.788 402 K HN 0.065 nan 8.250 nan 0.000 0.445 403 F N 1.663 121.700 119.950 0.145 0.000 2.752 403 F HA 0.196 4.681 4.527 -0.070 0.000 0.332 403 F C 1.198 177.195 175.800 0.328 0.000 1.188 403 F CA -0.201 57.887 58.000 0.146 0.000 1.296 403 F CB 0.142 39.183 39.000 0.068 0.000 1.526 403 F HN 0.418 nan 8.300 nan 0.000 0.576 404 Q N 0.366 120.351 119.800 0.307 0.000 2.311 404 Q HA -0.175 4.123 4.340 -0.071 0.000 0.203 404 Q C 0.689 176.769 176.000 0.133 0.000 0.954 404 Q CA 1.413 57.386 55.803 0.284 0.000 0.885 404 Q CB -0.564 28.090 28.738 -0.141 0.000 0.963 404 Q HN 0.665 nan 8.270 nan 0.000 0.471 405 N N -0.221 118.474 118.700 -0.008 0.000 2.878 405 N HA 0.197 4.895 4.740 -0.071 0.000 0.282 405 N C 0.672 176.274 175.510 0.154 0.000 1.284 405 N CA 0.346 53.389 53.050 -0.012 0.000 1.053 405 N CB 0.819 39.224 38.487 -0.137 0.000 1.382 405 N HN 0.311 nan 8.380 nan 0.000 0.529 406 A N 0.192 123.159 122.820 0.244 0.000 1.963 406 A HA 0.206 4.483 4.320 -0.071 0.000 0.207 406 A C 1.852 179.530 177.584 0.157 0.000 1.243 406 A CA 0.004 52.176 52.037 0.226 0.000 0.728 406 A CB -0.171 18.912 19.000 0.139 0.000 0.895 406 A HN 0.396 nan 8.150 nan 0.000 0.467 407 L N -0.056 121.256 121.223 0.148 0.000 2.275 407 L HA -0.060 4.237 4.340 -0.071 0.000 0.215 407 L C 2.348 179.288 176.870 0.117 0.000 1.119 407 L CA 0.371 55.275 54.840 0.105 0.000 0.790 407 L CB -0.309 41.760 42.059 0.017 0.000 0.919 407 L HN 0.400 nan 8.230 nan 0.000 0.443 408 L N -0.920 120.370 121.223 0.112 0.000 1.943 408 L HA -0.250 4.048 4.340 -0.071 0.000 0.215 408 L C 2.524 179.536 176.870 0.236 0.000 1.074 408 L CA 1.393 56.325 54.840 0.153 0.000 0.759 408 L CB -0.370 41.751 42.059 0.103 0.000 0.888 408 L HN -0.024 nan 8.230 nan 0.000 0.433 409 V N -0.087 119.947 119.914 0.199 0.000 2.313 409 V HA -0.412 3.666 4.120 -0.071 0.000 0.253 409 V C 2.601 178.841 176.094 0.245 0.000 1.070 409 V CA 2.152 64.575 62.300 0.205 0.000 1.057 409 V CB -0.867 31.023 31.823 0.112 0.000 0.653 409 V HN 0.446 nan 8.190 nan 0.000 0.450 410 R N -1.442 119.198 120.500 0.234 0.000 2.075 410 R HA -0.154 4.144 4.340 -0.071 0.000 0.230 410 R C 2.347 178.790 176.300 0.239 0.000 1.140 410 R CA 2.083 58.328 56.100 0.240 0.000 0.928 410 R CB -0.582 29.912 30.300 0.322 0.000 0.834 410 R HN 0.473 nan 8.270 nan 0.000 0.429 411 Y N 1.257 121.612 120.300 0.092 0.000 2.163 411 Y HA -0.131 4.377 4.550 -0.070 0.000 0.288 411 Y C 2.716 178.642 175.900 0.044 0.000 1.136 411 Y CA 1.299 59.450 58.100 0.085 0.000 1.147 411 Y CB -1.007 37.504 38.460 0.086 0.000 0.987 411 Y HN 0.107 nan 8.280 nan 0.000 0.509 412 T N -0.176 114.491 114.554 0.188 0.000 2.869 412 T HA -0.204 4.104 4.350 -0.071 0.000 0.270 412 T C 1.836 176.417 174.700 -0.198 0.000 1.082 412 T CA 1.505 63.621 62.100 0.026 0.000 1.123 412 T CB -0.028 68.947 68.868 0.179 0.000 0.856 412 T HN 0.280 nan 8.240 nan 0.000 0.499 413 K N 1.069 121.421 120.400 -0.079 0.000 2.056 413 K HA 0.031 4.308 4.320 -0.071 0.000 0.205 413 K C 2.374 178.874 176.600 -0.167 0.000 1.035 413 K CA 0.792 56.997 56.287 -0.137 0.000 0.955 413 K CB -0.014 32.504 32.500 0.030 0.000 0.769 413 K HN 0.364 nan 8.250 nan 0.000 0.447 414 K N 0.300 120.626 120.400 -0.125 0.000 2.442 414 K HA -0.012 4.266 4.320 -0.071 0.000 0.198 414 K C 0.629 177.126 176.600 -0.172 0.000 1.042 414 K CA 0.638 56.833 56.287 -0.153 0.000 0.958 414 K CB 0.308 32.701 32.500 -0.177 0.000 0.766 414 K HN -0.051 nan 8.250 nan 0.000 0.474 415 V N 2.281 122.100 119.914 -0.159 0.000 2.791 415 V HA 0.208 4.286 4.120 -0.071 0.000 0.258 415 V C -2.906 173.122 176.094 -0.109 0.000 0.875 415 V CA -1.384 60.851 62.300 -0.109 0.000 0.922 415 V CB 1.861 33.670 31.823 -0.024 0.000 1.034 415 V HN 0.092 nan 8.190 nan 0.000 0.492 416 P HA 0.382 nan 4.420 nan 0.000 0.257 416 P C 0.146 177.341 177.300 -0.176 0.000 1.737 416 P CA 0.115 63.017 63.100 -0.331 0.000 1.130 416 P CB 0.945 32.179 31.700 -0.778 0.000 1.572 417 Q N -1.198 118.583 119.800 -0.032 0.000 2.179 417 Q HA 0.131 4.429 4.340 -0.071 0.000 0.244 417 Q C 0.467 176.529 176.000 0.105 0.000 0.808 417 Q CA 0.153 55.996 55.803 0.067 0.000 0.955 417 Q CB 0.689 29.479 28.738 0.086 0.000 1.141 417 Q HN -0.013 nan 8.270 nan 0.000 0.485 418 V N 1.463 121.447 119.914 0.117 0.000 3.061 418 V HA -0.046 4.032 4.120 -0.071 0.000 0.306 418 V C 0.589 176.767 176.094 0.141 0.000 1.118 418 V CA 0.017 62.431 62.300 0.191 0.000 1.231 418 V CB 0.884 32.811 31.823 0.173 0.000 0.956 418 V HN 0.148 nan 8.190 nan 0.000 0.499 419 S N 2.327 118.098 115.700 0.118 0.000 2.562 419 S HA 0.039 4.466 4.470 -0.071 0.000 0.281 419 S C 1.473 176.086 174.600 0.021 0.000 1.333 419 S CA -0.076 58.149 58.200 0.043 0.000 1.052 419 S CB 1.019 64.171 63.200 -0.079 0.000 0.884 419 S HN 0.931 nan 8.310 nan 0.000 0.506 420 T N 5.065 119.639 114.554 0.033 0.000 2.665 420 T HA -0.107 4.201 4.350 -0.071 0.000 0.268 420 T C -0.739 173.976 174.700 0.024 0.000 1.035 420 T CA 1.534 63.656 62.100 0.036 0.000 1.151 420 T CB -1.054 67.839 68.868 0.042 0.000 0.862 420 T HN 0.576 nan 8.240 nan 0.000 0.438 421 P HA -0.060 nan 4.420 nan 0.000 0.214 421 P C 1.407 178.695 177.300 -0.021 0.000 1.163 421 P CA 1.450 64.548 63.100 -0.004 0.000 0.883 421 P CB -0.457 31.233 31.700 -0.018 0.000 0.788 422 T N 0.081 114.604 114.554 -0.052 0.000 3.098 422 T HA -0.022 4.286 4.350 -0.071 0.000 0.266 422 T C 1.603 176.296 174.700 -0.012 0.000 1.145 422 T CA 0.533 62.593 62.100 -0.067 0.000 1.092 422 T CB -0.331 68.439 68.868 -0.162 0.000 0.908 422 T HN -0.089 nan 8.240 nan 0.000 0.526 423 L N 0.799 122.031 121.223 0.015 0.000 2.056 423 L HA 0.111 4.409 4.340 -0.071 0.000 0.202 423 L C 2.619 179.496 176.870 0.011 0.000 1.086 423 L CA 1.164 56.028 54.840 0.040 0.000 0.758 423 L CB -1.514 40.585 42.059 0.068 0.000 0.912 423 L HN 0.122 nan 8.230 nan 0.000 0.446 424 V N -0.104 119.817 119.914 0.012 0.000 3.099 424 V HA -0.186 3.892 4.120 -0.071 0.000 0.269 424 V C 2.437 178.519 176.094 -0.019 0.000 1.150 424 V CA 1.031 63.330 62.300 -0.002 0.000 1.165 424 V CB -0.718 31.113 31.823 0.012 0.000 0.756 424 V HN 0.427 nan 8.190 nan 0.000 0.527 425 E N 0.568 120.754 120.200 -0.023 0.000 2.060 425 E HA -0.073 4.235 4.350 -0.071 0.000 0.189 425 E C 2.195 178.769 176.600 -0.044 0.000 0.974 425 E CA 1.168 57.550 56.400 -0.030 0.000 0.808 425 E CB 0.022 29.703 29.700 -0.032 0.000 0.768 425 E HN 0.516 nan 8.360 nan 0.000 0.453 426 V N 1.014 120.897 119.914 -0.052 0.000 2.255 426 V HA -0.213 3.865 4.120 -0.071 0.000 0.243 426 V C 2.384 178.417 176.094 -0.102 0.000 1.038 426 V CA 1.771 64.022 62.300 -0.081 0.000 1.008 426 V CB -1.025 30.742 31.823 -0.092 0.000 0.645 426 V HN 0.138 nan 8.190 nan 0.000 0.449 427 S N 1.348 116.996 115.700 -0.087 0.000 2.390 427 S HA -0.369 4.058 4.470 -0.071 0.000 0.234 427 S C 2.002 176.540 174.600 -0.104 0.000 1.063 427 S CA 2.690 60.833 58.200 -0.094 0.000 1.108 427 S CB -0.548 62.636 63.200 -0.027 0.000 0.975 427 S HN 0.770 nan 8.310 nan 0.000 0.442 428 R N 1.617 122.055 120.500 -0.103 0.000 2.073 428 R HA 0.130 4.427 4.340 -0.071 0.000 0.229 428 R C 2.082 178.310 176.300 -0.121 0.000 1.120 428 R CA 1.251 57.263 56.100 -0.147 0.000 0.967 428 R CB -0.641 29.550 30.300 -0.182 0.000 0.862 428 R HN 0.391 nan 8.270 nan 0.000 0.436 429 N N 1.532 120.190 118.700 -0.070 0.000 2.013 429 N HA -0.162 4.535 4.740 -0.071 0.000 0.195 429 N C 1.936 177.476 175.510 0.050 0.000 1.051 429 N CA 1.847 54.894 53.050 -0.006 0.000 0.851 429 N CB -0.106 38.377 38.487 -0.005 0.000 1.044 429 N HN 0.296 nan 8.380 nan 0.000 0.422 430 L N 0.109 121.332 121.223 0.001 0.000 2.456 430 L HA 0.078 4.376 4.340 -0.071 0.000 0.224 430 L C 1.960 178.792 176.870 -0.064 0.000 1.148 430 L CA 0.966 55.814 54.840 0.013 0.000 0.825 430 L CB -0.599 41.399 42.059 -0.102 0.000 0.937 430 L HN 0.029 nan 8.230 nan 0.000 0.450 431 G N 1.077 109.812 108.800 -0.108 0.000 2.480 431 G HA2 -0.273 3.645 3.960 -0.071 0.000 0.216 431 G HA3 -0.273 3.645 3.960 -0.071 0.000 0.216 431 G C 1.378 176.091 174.900 -0.311 0.000 1.200 431 G CA 0.723 45.713 45.100 -0.184 0.000 0.782 431 G HN 0.450 nan 8.290 nan 0.000 0.554 432 K N 0.419 120.678 120.400 -0.235 0.000 2.675 432 K HA 0.079 4.357 4.320 -0.071 0.000 0.194 432 K C 2.034 178.384 176.600 -0.416 0.000 1.029 432 K CA -0.129 55.994 56.287 -0.274 0.000 0.980 432 K CB 0.035 32.454 32.500 -0.135 0.000 0.803 432 K HN 0.229 nan 8.250 nan 0.000 0.493 433 V N 0.494 120.142 119.914 -0.444 0.000 2.346 433 V HA -0.129 3.949 4.120 -0.071 0.000 0.244 433 V C 2.380 178.275 176.094 -0.332 0.000 1.037 433 V CA 2.051 64.065 62.300 -0.478 0.000 1.029 433 V CB -0.475 31.176 31.823 -0.286 0.000 0.663 433 V HN 0.509 nan 8.190 nan 0.000 0.454 434 G N -0.305 108.258 108.800 -0.395 0.000 2.513 434 G HA2 -0.307 3.611 3.960 -0.071 0.000 0.219 434 G HA3 -0.307 3.611 3.960 -0.071 0.000 0.219 434 G C 1.793 176.532 174.900 -0.267 0.000 1.160 434 G CA 1.558 46.424 45.100 -0.389 0.000 0.767 434 G HN 0.527 nan 8.290 nan 0.000 0.571 435 S N 0.156 115.665 115.700 -0.318 0.000 2.343 435 S HA -0.021 4.407 4.470 -0.071 0.000 0.212 435 S C 1.866 176.379 174.600 -0.145 0.000 1.033 435 S CA 0.928 59.016 58.200 -0.187 0.000 1.004 435 S CB -0.250 62.849 63.200 -0.168 0.000 0.977 435 S HN 0.297 nan 8.310 nan 0.000 0.427 436 K N 0.302 120.585 120.400 -0.195 0.000 2.706 436 K HA 0.162 4.439 4.320 -0.071 0.000 0.217 436 K C -0.036 176.456 176.600 -0.180 0.000 1.019 436 K CA 0.069 56.250 56.287 -0.177 0.000 1.181 436 K CB -0.391 31.985 32.500 -0.207 0.000 0.940 436 K HN 0.382 nan 8.250 nan 0.000 0.491 437 c N -2.709 115.824 118.600 -0.111 0.000 4.638 437 c HA 0.017 4.545 4.570 -0.071 0.000 0.525 437 c C 2.313 176.454 174.090 0.085 0.000 1.131 437 c CA -0.428 55.892 56.329 -0.016 0.000 2.519 437 c CB -0.335 42.134 42.510 -0.067 0.000 3.429 437 c HN 0.614 nan 8.230 nan 0.000 0.430 438 c N 1.093 119.712 118.600 0.032 0.000 2.413 438 c HA -0.111 4.417 4.570 -0.071 0.000 0.276 438 c C 1.690 175.817 174.090 0.061 0.000 1.236 438 c CA 1.158 57.518 56.329 0.052 0.000 1.735 438 c CB -1.341 41.205 42.510 0.060 0.000 2.031 438 c HN 0.555 nan 8.230 nan 0.000 0.474 439 K N 0.326 120.760 120.400 0.057 0.000 2.715 439 K HA 0.027 4.304 4.320 -0.071 0.000 0.248 439 K C 0.415 177.091 176.600 0.127 0.000 1.276 439 K CA 0.298 56.622 56.287 0.061 0.000 1.209 439 K CB -0.513 32.007 32.500 0.033 0.000 1.509 439 K HN 0.713 nan 8.250 nan 0.000 0.261 440 H N -1.870 117.193 119.070 -0.011 0.000 3.383 440 H HA 0.065 4.580 4.556 -0.069 0.000 0.251 440 H C -2.518 172.805 175.328 -0.009 0.000 1.073 440 H CA -0.568 55.473 56.048 -0.012 0.000 1.094 440 H CB 0.008 29.757 29.762 -0.021 0.000 2.124 440 H HN 0.220 nan 8.280 nan 0.000 0.812 441 P HA 0.087 nan 4.420 nan 0.000 0.316 441 P C -0.014 177.132 177.300 -0.256 0.000 1.413 441 P CA 0.745 63.737 63.100 -0.179 0.000 0.828 441 P CB 1.016 32.670 31.700 -0.077 0.000 1.787 442 E N -3.459 116.658 120.200 -0.138 0.000 3.584 442 E HA -0.166 4.142 4.350 -0.071 0.000 0.209 442 E C 1.276 177.827 176.600 -0.082 0.000 1.368 442 E CA 0.675 57.008 56.400 -0.113 0.000 2.057 442 E CB -2.097 27.518 29.700 -0.142 0.000 2.089 442 E HN 0.406 nan 8.360 nan 0.000 0.540 443 A N 0.044 122.820 122.820 -0.073 0.000 1.841 443 A HA -0.226 4.052 4.320 -0.071 0.000 0.216 443 A C 1.769 179.329 177.584 -0.041 0.000 1.199 443 A CA 2.643 54.651 52.037 -0.049 0.000 0.621 443 A CB -0.613 18.358 19.000 -0.048 0.000 0.835 443 A HN 0.392 nan 8.150 nan 0.000 0.445 444 K N -0.287 120.071 120.400 -0.071 0.000 2.242 444 K HA -0.211 4.066 4.320 -0.071 0.000 0.206 444 K C 2.067 178.761 176.600 0.157 0.000 1.045 444 K CA 1.604 57.907 56.287 0.027 0.000 0.930 444 K CB -0.319 32.142 32.500 -0.066 0.000 0.726 444 K HN 0.559 nan 8.250 nan 0.000 0.462 445 R N 0.287 120.779 120.500 -0.013 0.000 2.147 445 R HA -0.236 4.062 4.340 -0.071 0.000 0.225 445 R C 2.277 178.625 176.300 0.080 0.000 1.120 445 R CA 2.441 58.597 56.100 0.094 0.000 0.891 445 R CB -0.491 29.813 30.300 0.007 0.000 0.822 445 R HN 0.287 nan 8.270 nan 0.000 0.433 446 M N 0.598 120.219 119.600 0.035 0.000 2.108 446 M HA -0.076 4.362 4.480 -0.071 0.000 0.261 446 M C -1.107 175.198 176.300 0.007 0.000 1.066 446 M CA 1.783 57.094 55.300 0.018 0.000 1.107 446 M CB -0.685 31.921 32.600 0.010 0.000 1.356 446 M HN 0.122 nan 8.290 nan 0.000 0.406 447 P HA -0.180 nan 4.420 nan 0.000 0.217 447 P C 1.784 179.074 177.300 -0.017 0.000 1.148 447 P CA 1.780 64.868 63.100 -0.020 0.000 0.834 447 P CB -0.729 30.966 31.700 -0.007 0.000 0.783 448 c N -1.065 117.548 118.600 0.023 0.000 2.466 448 c HA 0.247 4.775 4.570 -0.071 0.000 0.278 448 c C 2.589 176.702 174.090 0.039 0.000 1.288 448 c CA 0.998 57.340 56.329 0.023 0.000 1.722 448 c CB -1.687 40.826 42.510 0.005 0.000 2.017 448 c HN 0.208 nan 8.230 nan 0.000 0.488 449 A N -0.652 122.184 122.820 0.026 0.000 2.252 449 A HA 0.212 4.489 4.320 -0.071 0.000 0.213 449 A C 2.172 179.774 177.584 0.030 0.000 1.188 449 A CA 0.514 52.567 52.037 0.027 0.000 0.863 449 A CB -0.516 18.490 19.000 0.009 0.000 0.893 449 A HN 0.708 nan 8.150 nan 0.000 0.495 450 E N 0.269 120.468 120.200 -0.001 0.000 2.042 450 E HA -0.138 4.170 4.350 -0.071 0.000 0.189 450 E C 0.894 177.482 176.600 -0.021 0.000 0.974 450 E CA 0.749 57.137 56.400 -0.020 0.000 0.806 450 E CB -0.005 29.655 29.700 -0.067 0.000 0.769 450 E HN 0.447 nan 8.360 nan 0.000 0.451 451 D N 0.213 120.583 120.400 -0.051 0.000 2.160 451 D HA -0.238 4.359 4.640 -0.071 0.000 0.189 451 D C 1.763 178.071 176.300 0.013 0.000 1.003 451 D CA 1.387 55.350 54.000 -0.062 0.000 0.846 451 D CB -0.598 40.147 40.800 -0.092 0.000 0.949 451 D HN 0.222 nan 8.370 nan 0.000 0.446 452 Y N 1.116 121.379 120.300 -0.063 0.000 2.070 452 Y HA -0.188 4.320 4.550 -0.070 0.000 0.280 452 Y C 2.533 178.401 175.900 -0.053 0.000 1.148 452 Y CA 1.324 59.393 58.100 -0.052 0.000 1.125 452 Y CB -0.738 37.690 38.460 -0.052 0.000 0.975 452 Y HN -0.074 nan 8.280 nan 0.000 0.492 453 L N -0.356 121.028 121.223 0.268 0.000 2.064 453 L HA -0.403 3.894 4.340 -0.071 0.000 0.216 453 L C 2.457 179.331 176.870 0.008 0.000 1.077 453 L CA 2.056 56.970 54.840 0.124 0.000 0.766 453 L CB -0.645 41.467 42.059 0.088 0.000 0.890 453 L HN 0.288 nan 8.230 nan 0.000 0.435 454 S N -1.238 114.457 115.700 -0.009 0.000 2.382 454 S HA -0.153 4.274 4.470 -0.071 0.000 0.228 454 S C 1.933 176.497 174.600 -0.061 0.000 1.027 454 S CA 1.309 59.489 58.200 -0.034 0.000 0.991 454 S CB -0.444 62.725 63.200 -0.051 0.000 0.823 454 S HN 0.239 nan 8.310 nan 0.000 0.469 455 V N 1.772 121.622 119.914 -0.108 0.000 2.295 455 V HA -0.156 3.921 4.120 -0.071 0.000 0.246 455 V C 2.412 178.400 176.094 -0.175 0.000 1.049 455 V CA 1.527 63.733 62.300 -0.156 0.000 1.024 455 V CB -0.875 30.782 31.823 -0.277 0.000 0.648 455 V HN 0.357 nan 8.190 nan 0.000 0.447 456 V N -0.489 119.299 119.914 -0.210 0.000 2.261 456 V HA -0.230 3.847 4.120 -0.071 0.000 0.246 456 V C 2.401 178.403 176.094 -0.153 0.000 1.047 456 V CA 1.631 63.822 62.300 -0.181 0.000 1.015 456 V CB -0.672 31.064 31.823 -0.145 0.000 0.642 456 V HN 0.384 nan 8.190 nan 0.000 0.446 457 L N 0.752 121.881 121.223 -0.157 0.000 2.197 457 L HA -0.223 4.074 4.340 -0.071 0.000 0.215 457 L C 2.158 178.950 176.870 -0.129 0.000 1.095 457 L CA 2.202 56.915 54.840 -0.211 0.000 0.764 457 L CB -1.588 40.367 42.059 -0.173 0.000 0.897 457 L HN 0.521 nan 8.230 nan 0.000 0.436 458 N N -1.031 117.616 118.700 -0.088 0.000 2.207 458 N HA -0.192 4.505 4.740 -0.071 0.000 0.182 458 N C 1.875 177.346 175.510 -0.065 0.000 1.020 458 N CA 0.907 53.922 53.050 -0.057 0.000 0.858 458 N CB 0.001 38.452 38.487 -0.060 0.000 0.991 458 N HN 0.256 nan 8.380 nan 0.000 0.427 459 Q N 0.190 119.938 119.800 -0.086 0.000 2.062 459 Q HA -0.179 4.119 4.340 -0.071 0.000 0.209 459 Q C 1.940 177.909 176.000 -0.052 0.000 0.996 459 Q CA 1.812 57.572 55.803 -0.072 0.000 0.859 459 Q CB -0.718 27.970 28.738 -0.084 0.000 0.920 459 Q HN 0.463 nan 8.270 nan 0.000 0.415 460 L N -0.177 121.003 121.223 -0.072 0.000 2.034 460 L HA -0.275 4.023 4.340 -0.071 0.000 0.217 460 L C 2.122 179.002 176.870 0.016 0.000 1.077 460 L CA 2.245 57.054 54.840 -0.051 0.000 0.769 460 L CB -1.127 40.843 42.059 -0.148 0.000 0.890 460 L HN 0.501 nan 8.230 nan 0.000 0.435 461 c N -1.707 116.902 118.600 0.015 0.000 2.466 461 c HA -0.041 4.487 4.570 -0.071 0.000 0.278 461 c C 2.829 176.951 174.090 0.053 0.000 1.288 461 c CA 0.749 57.117 56.329 0.064 0.000 1.722 461 c CB -1.010 41.545 42.510 0.075 0.000 2.017 461 c HN 0.647 nan 8.230 nan 0.000 0.488 462 V N -0.519 119.403 119.914 0.013 0.000 2.379 462 V HA -0.078 4.000 4.120 -0.071 0.000 0.245 462 V C 2.242 178.347 176.094 0.019 0.000 1.044 462 V CA 1.358 63.651 62.300 -0.011 0.000 1.036 462 V CB -1.171 30.606 31.823 -0.076 0.000 0.664 462 V HN 0.338 nan 8.190 nan 0.000 0.453 463 L N 1.160 122.395 121.223 0.020 0.000 1.980 463 L HA -0.244 4.054 4.340 -0.071 0.000 0.232 463 L C 1.878 178.822 176.870 0.123 0.000 1.092 463 L CA 2.358 57.220 54.840 0.036 0.000 0.808 463 L CB -1.606 40.454 42.059 0.002 0.000 0.908 463 L HN 0.623 nan 8.230 nan 0.000 0.442 464 H N -1.024 118.058 119.070 0.020 0.000 2.410 464 H HA 0.169 4.683 4.556 -0.071 0.000 0.232 464 H C 0.734 176.083 175.328 0.035 0.000 1.535 464 H CA -0.259 55.807 56.048 0.031 0.000 1.310 464 H CB 0.529 30.313 29.762 0.038 0.000 1.518 464 H HN 0.446 nan 8.280 nan 0.000 0.545 465 E N 1.839 122.103 120.200 0.108 0.000 2.065 465 E HA -0.118 4.190 4.350 -0.071 0.000 0.191 465 E C 2.017 178.633 176.600 0.026 0.000 0.960 465 E CA -0.198 56.222 56.400 0.033 0.000 0.824 465 E CB 0.421 30.143 29.700 0.036 0.000 0.793 465 E HN 0.363 nan 8.360 nan 0.000 0.459 466 K N 0.856 121.311 120.400 0.093 0.000 2.248 466 K HA -0.241 4.037 4.320 -0.071 0.000 0.216 466 K C 0.080 176.728 176.600 0.081 0.000 0.902 466 K CA 2.267 58.625 56.287 0.117 0.000 0.975 466 K CB -1.029 31.578 32.500 0.179 0.000 1.016 466 K HN 0.176 nan 8.250 nan 0.000 0.508 467 T N 2.496 117.095 114.554 0.075 0.000 2.824 467 T HA 0.512 4.820 4.350 -0.071 0.000 0.280 467 T C -2.598 171.863 174.700 -0.399 0.000 0.995 467 T CA -1.717 60.321 62.100 -0.103 0.000 1.009 467 T CB 2.020 70.912 68.868 0.039 0.000 0.955 467 T HN 0.187 nan 8.240 nan 0.000 0.452 468 P HA 0.472 nan 4.420 nan 0.000 0.303 468 P C 0.131 177.315 177.300 -0.194 0.000 1.350 468 P CA -0.715 62.252 63.100 -0.222 0.000 0.880 468 P CB 1.580 33.219 31.700 -0.102 0.000 1.018 469 V N 0.475 120.273 119.914 -0.193 0.000 4.566 469 V HA 0.375 4.453 4.120 -0.071 0.000 0.178 469 V C 0.746 176.823 176.094 -0.028 0.000 1.015 469 V CA 0.036 62.283 62.300 -0.089 0.000 1.443 469 V CB -0.850 30.941 31.823 -0.053 0.000 2.066 469 V HN 0.369 nan 8.190 nan 0.000 0.437 470 S N 1.120 116.821 115.700 0.002 0.000 2.414 470 S HA 0.126 4.554 4.470 -0.071 0.000 0.290 470 S C 0.612 175.206 174.600 -0.010 0.000 1.160 470 S CA 0.002 58.205 58.200 0.005 0.000 1.069 470 S CB -0.363 62.848 63.200 0.018 0.000 1.012 470 S HN 0.561 nan 8.310 nan 0.000 0.510 471 D N 3.687 124.075 120.400 -0.020 0.000 2.271 471 D HA -0.128 4.469 4.640 -0.071 0.000 0.207 471 D C 2.028 178.303 176.300 -0.041 0.000 0.983 471 D CA 1.090 55.074 54.000 -0.027 0.000 0.878 471 D CB 0.206 40.990 40.800 -0.026 0.000 0.920 471 D HN 0.454 nan 8.370 nan 0.000 0.479 472 R N 0.244 120.707 120.500 -0.061 0.000 2.062 472 R HA -0.060 4.238 4.340 -0.071 0.000 0.231 472 R C 2.323 178.545 176.300 -0.129 0.000 1.136 472 R CA 0.820 56.851 56.100 -0.115 0.000 0.948 472 R CB -0.905 29.302 30.300 -0.155 0.000 0.845 472 R HN 0.217 nan 8.270 nan 0.000 0.430 473 V N 1.390 121.272 119.914 -0.053 0.000 2.469 473 V HA -0.225 3.853 4.120 -0.071 0.000 0.251 473 V C 2.326 178.473 176.094 0.089 0.000 1.064 473 V CA 2.218 64.575 62.300 0.095 0.000 1.066 473 V CB -0.980 30.977 31.823 0.224 0.000 0.667 473 V HN 0.402 nan 8.190 nan 0.000 0.461 474 T N -0.382 114.191 114.554 0.031 0.000 2.684 474 T HA -0.252 4.055 4.350 -0.071 0.000 0.267 474 T C 1.997 176.705 174.700 0.014 0.000 1.036 474 T CA 1.701 63.814 62.100 0.021 0.000 1.148 474 T CB -0.237 68.627 68.868 -0.005 0.000 0.863 474 T HN 0.312 nan 8.240 nan 0.000 0.436 475 K N 0.473 120.861 120.400 -0.021 0.000 2.062 475 K HA 0.104 4.382 4.320 -0.071 0.000 0.205 475 K C 2.442 179.032 176.600 -0.018 0.000 1.051 475 K CA 0.793 57.061 56.287 -0.032 0.000 0.941 475 K CB -0.739 31.725 32.500 -0.061 0.000 0.719 475 K HN 0.343 nan 8.250 nan 0.000 0.440 476 c N -0.256 118.317 118.600 -0.046 0.000 2.464 476 c HA -0.017 4.511 4.570 -0.071 0.000 0.278 476 c C 2.594 176.778 174.090 0.158 0.000 1.375 476 c CA -0.110 56.217 56.329 -0.004 0.000 1.761 476 c CB -0.893 41.489 42.510 -0.213 0.000 1.944 476 c HN 0.549 nan 8.230 nan 0.000 0.509 477 c N -0.290 118.427 118.600 0.196 0.000 2.491 477 c HA -0.130 4.397 4.570 -0.071 0.000 0.283 477 c C 3.070 177.266 174.090 0.176 0.000 1.238 477 c CA 2.038 58.488 56.329 0.202 0.000 1.735 477 c CB -1.611 41.006 42.510 0.178 0.000 2.080 477 c HN 0.678 nan 8.230 nan 0.000 0.463 478 T N 0.348 114.961 114.554 0.098 0.000 2.652 478 T HA -0.175 4.132 4.350 -0.071 0.000 0.267 478 T C 1.775 176.481 174.700 0.011 0.000 1.039 478 T CA 1.863 63.980 62.100 0.028 0.000 1.153 478 T CB -0.381 68.477 68.868 -0.017 0.000 0.863 478 T HN 0.521 nan 8.240 nan 0.000 0.428 479 E N 0.767 120.985 120.200 0.031 0.000 2.058 479 E HA -0.017 4.290 4.350 -0.071 0.000 0.194 479 E C 1.056 177.703 176.600 0.079 0.000 0.997 479 E CA 0.829 57.243 56.400 0.023 0.000 0.801 479 E CB -0.159 29.550 29.700 0.015 0.000 0.746 479 E HN 0.412 nan 8.360 nan 0.000 0.450 480 S N -1.379 114.414 115.700 0.154 0.000 2.541 480 S HA 0.260 4.688 4.470 -0.071 0.000 0.271 480 S C 0.202 175.000 174.600 0.330 0.000 1.133 480 S CA -0.704 57.659 58.200 0.272 0.000 0.876 480 S CB 1.514 64.813 63.200 0.166 0.000 1.105 480 S HN 0.049 nan 8.310 nan 0.000 0.470 481 L N 4.845 126.311 121.223 0.404 0.000 1.988 481 L HA 0.091 4.388 4.340 -0.071 0.000 0.207 481 L C 1.972 178.847 176.870 0.009 0.000 1.071 481 L CA 2.144 56.969 54.840 -0.026 0.000 0.744 481 L CB -0.483 41.220 42.059 -0.594 0.000 0.893 481 L HN 0.681 nan 8.230 nan 0.000 0.433 482 V N -0.448 119.480 119.914 0.024 0.000 2.809 482 V HA -0.126 3.951 4.120 -0.071 0.000 0.256 482 V C 0.903 176.995 176.094 -0.004 0.000 1.080 482 V CA 1.516 63.806 62.300 -0.017 0.000 1.102 482 V CB -1.108 30.709 31.823 -0.010 0.000 0.705 482 V HN 0.530 nan 8.190 nan 0.000 0.475 483 N N -0.330 118.395 118.700 0.041 0.000 2.376 483 N HA 0.215 4.912 4.740 -0.071 0.000 0.249 483 N C 1.336 176.886 175.510 0.066 0.000 1.140 483 N CA -0.169 52.904 53.050 0.039 0.000 0.870 483 N CB 0.198 38.710 38.487 0.042 0.000 1.124 483 N HN 0.312 nan 8.380 nan 0.000 0.505 484 R N 0.417 120.965 120.500 0.080 0.000 2.055 484 R HA 0.142 4.440 4.340 -0.071 0.000 0.228 484 R C 1.880 178.286 176.300 0.176 0.000 1.143 484 R CA 0.912 57.101 56.100 0.148 0.000 0.945 484 R CB 0.104 30.477 30.300 0.122 0.000 0.841 484 R HN 0.115 nan 8.270 nan 0.000 0.429 485 R N 0.583 121.149 120.500 0.110 0.000 2.313 485 R HA 0.047 4.345 4.340 -0.071 0.000 0.199 485 R C -1.422 174.935 176.300 0.094 0.000 0.958 485 R CA 0.085 56.257 56.100 0.120 0.000 1.047 485 R CB 0.041 30.381 30.300 0.067 0.000 0.955 485 R HN 0.245 nan 8.270 nan 0.000 0.481 486 P HA 0.116 nan 4.420 nan 0.000 0.254 486 P C 0.659 177.981 177.300 0.037 0.000 1.494 486 P CA -0.042 63.084 63.100 0.043 0.000 0.961 486 P CB 0.005 31.711 31.700 0.010 0.000 1.493 487 c N -1.475 117.164 118.600 0.065 0.000 2.742 487 c HA 0.173 4.700 4.570 -0.071 0.000 0.284 487 c C 2.326 176.362 174.090 -0.091 0.000 1.481 487 c CA 0.115 56.438 56.329 -0.010 0.000 1.809 487 c CB -1.382 41.128 42.510 -0.001 0.000 1.991 487 c HN 0.061 nan 8.230 nan 0.000 0.660 488 F N 2.147 122.098 119.950 0.001 0.000 2.063 488 F HA -0.243 4.243 4.527 -0.070 0.000 0.298 488 F C 2.734 178.492 175.800 -0.070 0.000 1.105 488 F CA 2.460 60.435 58.000 -0.043 0.000 1.215 488 F CB -0.883 38.145 39.000 0.046 0.000 0.972 488 F HN 0.228 nan 8.300 nan 0.000 0.483 489 S N -0.406 115.391 115.700 0.161 0.000 2.359 489 S HA -0.191 4.237 4.470 -0.071 0.000 0.223 489 S C 1.542 176.148 174.600 0.010 0.000 1.039 489 S CA 1.151 59.410 58.200 0.098 0.000 1.042 489 S CB -0.883 62.381 63.200 0.107 0.000 0.915 489 S HN 0.320 nan 8.310 nan 0.000 0.439 490 A N 0.999 123.811 122.820 -0.014 0.000 3.063 490 A HA 0.558 4.836 4.320 -0.071 0.000 0.263 490 A C -0.414 177.126 177.584 -0.072 0.000 1.736 490 A CA -0.021 51.995 52.037 -0.034 0.000 1.408 490 A CB -0.603 18.381 19.000 -0.027 0.000 1.108 490 A HN 0.305 nan 8.150 nan 0.000 0.621 491 L N 0.490 121.662 121.223 -0.084 0.000 2.614 491 L HA 0.369 4.666 4.340 -0.071 0.000 0.264 491 L C -0.513 176.299 176.870 -0.095 0.000 0.940 491 L CA -0.038 54.729 54.840 -0.122 0.000 0.903 491 L CB 1.678 43.616 42.059 -0.202 0.000 1.306 491 L HN 0.542 nan 8.230 nan 0.000 0.410 492 E N 2.131 122.284 120.200 -0.078 0.000 2.790 492 E HA 0.406 4.714 4.350 -0.071 0.000 0.256 492 E C -0.597 175.961 176.600 -0.070 0.000 1.246 492 E CA -0.912 55.453 56.400 -0.059 0.000 1.041 492 E CB 1.006 30.682 29.700 -0.040 0.000 1.272 492 E HN 0.287 nan 8.360 nan 0.000 0.603 493 V N 2.554 122.437 119.914 -0.052 0.000 2.452 493 V HA -0.095 3.983 4.120 -0.071 0.000 0.286 493 V C -0.346 175.713 176.094 -0.058 0.000 0.995 493 V CA 0.490 62.755 62.300 -0.058 0.000 1.116 493 V CB -0.605 31.200 31.823 -0.031 0.000 0.954 493 V HN 0.410 nan 8.190 nan 0.000 0.473 494 D N 4.870 125.221 120.400 -0.081 0.000 2.489 494 D HA 0.118 4.715 4.640 -0.071 0.000 0.237 494 D C 1.128 177.411 176.300 -0.028 0.000 1.212 494 D CA 0.051 54.014 54.000 -0.062 0.000 1.058 494 D CB 0.575 41.327 40.800 -0.079 0.000 1.098 494 D HN 0.619 nan 8.370 nan 0.000 0.509 495 E N -0.179 120.017 120.200 -0.007 0.000 2.501 495 E HA -0.145 4.162 4.350 -0.071 0.000 0.203 495 E C 1.583 178.213 176.600 0.050 0.000 1.072 495 E CA 0.645 57.061 56.400 0.026 0.000 0.885 495 E CB -0.177 29.533 29.700 0.017 0.000 0.813 495 E HN 0.430 nan 8.360 nan 0.000 0.556 496 T N -0.145 114.432 114.554 0.037 0.000 2.814 496 T HA -0.352 3.956 4.350 -0.071 0.000 0.264 496 T C 1.295 176.059 174.700 0.106 0.000 1.050 496 T CA 1.493 63.623 62.100 0.050 0.000 1.147 496 T CB -0.500 68.387 68.868 0.032 0.000 0.833 496 T HN 0.224 nan 8.240 nan 0.000 0.498 497 Y N 3.217 123.496 120.300 -0.035 0.000 1.921 497 Y HA -0.199 4.309 4.550 -0.070 0.000 0.213 497 Y C 2.249 178.125 175.900 -0.041 0.000 1.016 497 Y CA 0.607 58.684 58.100 -0.038 0.000 0.984 497 Y CB -1.136 37.301 38.460 -0.038 0.000 0.901 497 Y HN 0.129 nan 8.280 nan 0.000 0.535 498 V N -1.583 118.232 119.914 -0.165 0.000 0.690 498 V HA -0.473 3.605 4.120 -0.071 0.000 0.092 498 V C -0.572 175.071 176.094 -0.752 0.000 0.778 498 V CA 1.991 64.065 62.300 -0.376 0.000 3.099 498 V CB -2.554 29.143 31.823 -0.210 0.000 0.188 498 V HN 0.426 nan 8.190 nan 0.000 0.082 499 P HA -0.364 nan 4.420 nan 0.000 0.232 499 P C 0.964 177.988 177.300 -0.460 0.000 0.897 499 P CA 3.162 66.032 63.100 -0.384 0.000 1.086 499 P CB -0.342 31.184 31.700 -0.291 0.000 0.629 500 K N -1.907 118.028 120.400 -0.774 0.000 3.016 500 K HA -0.261 4.017 4.320 -0.071 0.000 0.262 500 K C -0.234 176.254 176.600 -0.186 0.000 1.043 500 K CA 0.783 56.757 56.287 -0.520 0.000 0.761 500 K CB -1.463 30.788 32.500 -0.414 0.000 1.230 500 K HN 0.251 nan 8.250 nan 0.000 0.485 501 E N 0.073 120.201 120.200 -0.120 0.000 3.513 501 E HA -0.171 4.137 4.350 -0.071 0.000 0.295 501 E C -0.490 176.252 176.600 0.237 0.000 0.838 501 E CA 0.970 57.381 56.400 0.019 0.000 0.995 501 E CB 0.201 29.923 29.700 0.036 0.000 0.968 501 E HN 0.138 nan 8.360 nan 0.000 0.532 502 F N 4.216 124.155 119.950 -0.018 0.000 2.420 502 F HA 0.307 4.791 4.527 -0.071 0.000 0.342 502 F C 0.500 176.313 175.800 0.021 0.000 1.113 502 F CA -0.991 57.013 58.000 0.007 0.000 1.059 502 F CB 0.995 40.002 39.000 0.011 0.000 1.128 502 F HN 0.544 nan 8.300 nan 0.000 0.475 503 N N 1.140 119.908 118.700 0.114 0.000 2.862 503 N HA -0.178 4.520 4.740 -0.071 0.000 0.246 503 N C -0.536 175.059 175.510 0.140 0.000 1.111 503 N CA 0.646 53.754 53.050 0.097 0.000 0.688 503 N CB -1.291 37.238 38.487 0.070 0.000 1.018 503 N HN 0.568 nan 8.380 nan 0.000 0.556 504 A N 0.521 123.397 122.820 0.093 0.000 2.923 504 A HA 0.306 4.584 4.320 -0.071 0.000 0.306 504 A C 1.018 178.736 177.584 0.223 0.000 1.542 504 A CA -0.185 51.895 52.037 0.071 0.000 1.225 504 A CB 0.066 19.033 19.000 -0.055 0.000 1.147 504 A HN 0.219 nan 8.150 nan 0.000 0.542 505 E N 1.461 121.818 120.200 0.262 0.000 2.528 505 E HA 0.048 4.356 4.350 -0.071 0.000 0.237 505 E C -0.027 176.674 176.600 0.168 0.000 1.408 505 E CA 0.349 56.895 56.400 0.243 0.000 1.571 505 E CB -0.760 29.004 29.700 0.106 0.000 1.395 505 E HN 0.321 nan 8.360 nan 0.000 0.438 506 T N 1.767 116.429 114.554 0.180 0.000 3.243 506 T HA 0.190 4.498 4.350 -0.071 0.000 0.245 506 T C -0.471 174.373 174.700 0.239 0.000 1.263 506 T CA -0.364 61.839 62.100 0.171 0.000 1.228 506 T CB -0.325 68.616 68.868 0.121 0.000 1.097 506 T HN 0.212 nan 8.240 nan 0.000 0.628 507 F N 1.664 121.649 119.950 0.059 0.000 2.322 507 F HA 0.338 4.822 4.527 -0.071 0.000 0.223 507 F C 0.725 176.564 175.800 0.065 0.000 1.054 507 F CA -0.315 57.716 58.000 0.051 0.000 1.129 507 F CB 0.021 39.025 39.000 0.006 0.000 1.438 507 F HN -0.062 nan 8.300 nan 0.000 0.597 508 T N 3.517 118.138 114.554 0.112 0.000 3.364 508 T HA 0.153 4.461 4.350 -0.071 0.000 0.323 508 T C 0.557 175.218 174.700 -0.065 0.000 1.323 508 T CA -0.308 61.705 62.100 -0.145 0.000 1.073 508 T CB -1.177 67.347 68.868 -0.572 0.000 1.150 508 T HN 0.316 nan 8.240 nan 0.000 0.727 509 F N 1.394 121.393 119.950 0.082 0.000 2.664 509 F HA -0.003 4.482 4.527 -0.071 0.000 0.297 509 F C 1.744 177.815 175.800 0.452 0.000 1.164 509 F CA -0.094 58.036 58.000 0.215 0.000 1.472 509 F CB -1.081 38.028 39.000 0.181 0.000 1.108 509 F HN 0.701 nan 8.300 nan 0.000 0.596 510 H N 2.346 121.514 119.070 0.163 0.000 1.455 510 H HA -0.441 4.073 4.556 -0.070 0.000 0.090 510 H C 1.455 176.935 175.328 0.255 0.000 1.049 510 H CA 2.831 58.940 56.048 0.102 0.000 1.900 510 H CB -1.061 28.859 29.762 0.264 0.000 2.257 510 H HN 0.896 nan 8.280 nan 0.000 0.961 511 A N 0.693 123.610 122.820 0.163 0.000 2.971 511 A HA -0.172 4.106 4.320 -0.071 0.000 0.283 511 A C 0.449 177.962 177.584 -0.117 0.000 1.410 511 A CA 1.750 53.839 52.037 0.086 0.000 0.735 511 A CB -2.172 17.008 19.000 0.300 0.000 1.056 511 A HN 0.889 nan 8.150 nan 0.000 0.465 512 D N -1.010 119.228 120.400 -0.270 0.000 2.781 512 D HA -0.245 4.353 4.640 -0.071 0.000 0.221 512 D C 1.134 177.334 176.300 -0.166 0.000 1.224 512 D CA 1.441 55.328 54.000 -0.189 0.000 0.625 512 D CB -1.058 39.729 40.800 -0.021 0.000 0.987 512 D HN 0.796 nan 8.370 nan 0.000 0.402 513 I N -0.665 119.732 120.570 -0.287 0.000 2.145 513 I HA -0.339 3.788 4.170 -0.071 0.000 0.244 513 I C 1.840 177.911 176.117 -0.077 0.000 1.075 513 I CA 1.121 62.341 61.300 -0.133 0.000 1.332 513 I CB -1.317 36.539 38.000 -0.240 0.000 1.033 513 I HN 0.474 nan 8.210 nan 0.000 0.410 514 c N 3.458 122.003 118.600 -0.093 0.000 2.421 514 c HA 0.104 4.632 4.570 -0.071 0.000 0.401 514 c C 1.664 175.744 174.090 -0.016 0.000 1.493 514 c CA -0.365 55.948 56.329 -0.027 0.000 1.416 514 c CB -2.197 40.316 42.510 0.004 0.000 2.451 514 c HN 0.754 nan 8.230 nan 0.000 0.624 515 T N 0.352 114.902 114.554 -0.005 0.000 4.040 515 T HA -0.278 4.030 4.350 -0.071 0.000 0.341 515 T C 0.559 175.260 174.700 0.002 0.000 0.758 515 T CA 1.278 63.378 62.100 0.001 0.000 1.893 515 T CB -2.071 66.798 68.868 0.002 0.000 1.886 515 T HN 0.885 nan 8.240 nan 0.000 0.833 516 L N 0.285 121.509 121.223 0.002 0.000 1.976 516 L HA -0.006 4.292 4.340 -0.071 0.000 0.209 516 L C 1.759 178.644 176.870 0.025 0.000 1.071 516 L CA 1.966 56.818 54.840 0.021 0.000 0.746 516 L CB -0.513 41.577 42.059 0.051 0.000 0.890 516 L HN 0.831 nan 8.230 nan 0.000 0.432 517 S N -1.006 114.711 115.700 0.028 0.000 2.532 517 S HA 0.601 5.028 4.470 -0.071 0.000 0.301 517 S C -0.641 173.970 174.600 0.019 0.000 1.083 517 S CA -0.903 57.317 58.200 0.034 0.000 1.025 517 S CB 2.881 66.116 63.200 0.058 0.000 1.056 517 S HN 0.146 nan 8.310 nan 0.000 0.494 518 E N 0.449 120.659 120.200 0.016 0.000 2.433 518 E HA 0.469 4.777 4.350 -0.071 0.000 0.273 518 E C -1.578 175.023 176.600 0.002 0.000 0.950 518 E CA -1.216 55.187 56.400 0.005 0.000 0.796 518 E CB 1.851 31.552 29.700 0.001 0.000 1.330 518 E HN 0.819 nan 8.360 nan 0.000 0.455 519 K N 1.532 121.925 120.400 -0.013 0.000 7.036 519 K HA -0.164 4.113 4.320 -0.071 0.000 0.759 519 K C 0.279 176.860 176.600 -0.031 0.000 2.417 519 K CA 0.159 56.429 56.287 -0.029 0.000 1.750 519 K CB 0.028 32.518 32.500 -0.018 0.000 1.984 519 K HN 0.531 nan 8.250 nan 0.000 0.300 520 E N 3.394 123.545 120.200 -0.082 0.000 2.339 520 E HA -0.225 4.083 4.350 -0.071 0.000 0.201 520 E C 1.377 177.985 176.600 0.013 0.000 1.015 520 E CA 1.027 57.376 56.400 -0.085 0.000 0.841 520 E CB -0.028 29.532 29.700 -0.234 0.000 0.754 520 E HN 0.468 nan 8.360 nan 0.000 0.508 521 R N 0.362 120.879 120.500 0.028 0.000 2.096 521 R HA -0.088 4.209 4.340 -0.071 0.000 0.235 521 R C 2.070 178.446 176.300 0.127 0.000 1.127 521 R CA 1.093 57.299 56.100 0.177 0.000 0.968 521 R CB -0.215 30.155 30.300 0.117 0.000 0.861 521 R HN 0.425 nan 8.270 nan 0.000 0.440 522 Q N -0.449 119.395 119.800 0.073 0.000 2.339 522 Q HA 0.171 4.469 4.340 -0.071 0.000 0.205 522 Q C 2.120 178.159 176.000 0.065 0.000 0.925 522 Q CA 0.381 56.224 55.803 0.067 0.000 0.898 522 Q CB 0.385 29.152 28.738 0.049 0.000 1.013 522 Q HN 0.284 nan 8.270 nan 0.000 0.504 523 I N 0.529 121.129 120.570 0.049 0.000 2.235 523 I HA -0.168 3.960 4.170 -0.071 0.000 0.241 523 I C 2.321 178.469 176.117 0.051 0.000 1.085 523 I CA 0.978 62.300 61.300 0.036 0.000 1.378 523 I CB -0.333 37.675 38.000 0.013 0.000 1.076 523 I HN 0.104 nan 8.210 nan 0.000 0.415 524 K N 1.996 122.449 120.400 0.089 0.000 1.973 524 K HA -0.232 4.046 4.320 -0.071 0.000 0.212 524 K C 2.317 178.968 176.600 0.085 0.000 1.047 524 K CA 1.625 57.981 56.287 0.115 0.000 0.937 524 K CB -0.206 32.458 32.500 0.273 0.000 0.721 524 K HN 0.008 nan 8.250 nan 0.000 0.440 525 K N 0.256 120.716 120.400 0.101 0.000 2.169 525 K HA -0.332 3.946 4.320 -0.071 0.000 0.213 525 K C 1.850 178.487 176.600 0.063 0.000 1.050 525 K CA 2.033 58.358 56.287 0.064 0.000 0.935 525 K CB -0.150 32.393 32.500 0.073 0.000 0.722 525 K HN 0.264 nan 8.250 nan 0.000 0.468 526 Q N 0.055 119.895 119.800 0.067 0.000 1.984 526 Q HA -0.036 4.262 4.340 -0.071 0.000 0.196 526 Q C 2.295 178.310 176.000 0.024 0.000 0.975 526 Q CA 2.133 57.968 55.803 0.054 0.000 0.827 526 Q CB -0.928 27.813 28.738 0.005 0.000 0.894 526 Q HN 0.468 nan 8.270 nan 0.000 0.438 527 T N 1.629 116.188 114.554 0.008 0.000 2.718 527 T HA -0.254 4.053 4.350 -0.071 0.000 0.266 527 T C 1.722 176.437 174.700 0.026 0.000 1.033 527 T CA 1.877 63.985 62.100 0.014 0.000 1.151 527 T CB -0.311 68.567 68.868 0.018 0.000 0.853 527 T HN 0.415 nan 8.240 nan 0.000 0.466 528 A N 0.653 123.487 122.820 0.023 0.000 1.898 528 A HA 0.233 4.511 4.320 -0.071 0.000 0.214 528 A C 2.182 179.792 177.584 0.043 0.000 1.183 528 A CA 0.671 52.715 52.037 0.012 0.000 0.622 528 A CB -0.760 18.229 19.000 -0.019 0.000 0.824 528 A HN 0.413 nan 8.150 nan 0.000 0.444 529 L N 0.242 121.499 121.223 0.057 0.000 2.450 529 L HA -0.170 4.128 4.340 -0.071 0.000 0.225 529 L C 2.178 179.111 176.870 0.106 0.000 1.145 529 L CA 0.759 55.648 54.840 0.081 0.000 0.801 529 L CB -0.197 41.924 42.059 0.104 0.000 0.924 529 L HN 0.266 nan 8.230 nan 0.000 0.447 530 V N -1.212 118.769 119.914 0.110 0.000 2.379 530 V HA -0.271 3.806 4.120 -0.071 0.000 0.245 530 V C 2.319 178.498 176.094 0.142 0.000 1.044 530 V CA 1.697 64.099 62.300 0.169 0.000 1.036 530 V CB -0.481 31.435 31.823 0.155 0.000 0.664 530 V HN 0.474 nan 8.190 nan 0.000 0.453 531 E N 0.813 121.071 120.200 0.098 0.000 2.013 531 E HA -0.266 4.041 4.350 -0.071 0.000 0.202 531 E C 1.973 178.658 176.600 0.142 0.000 1.018 531 E CA 2.237 58.686 56.400 0.081 0.000 0.834 531 E CB -0.361 29.366 29.700 0.045 0.000 0.770 531 E HN 0.480 nan 8.360 nan 0.000 0.459 532 L N 0.399 121.726 121.223 0.173 0.000 2.026 532 L HA -0.300 3.998 4.340 -0.071 0.000 0.231 532 L C 2.610 179.586 176.870 0.177 0.000 1.095 532 L CA 2.381 57.355 54.840 0.224 0.000 0.810 532 L CB -1.889 40.239 42.059 0.115 0.000 0.909 532 L HN 0.312 nan 8.230 nan 0.000 0.444 533 V N -1.746 118.198 119.914 0.050 0.000 3.305 533 V HA -0.070 4.008 4.120 -0.071 0.000 0.269 533 V C 2.121 178.127 176.094 -0.147 0.000 1.157 533 V CA 1.417 63.659 62.300 -0.097 0.000 1.157 533 V CB -1.333 30.331 31.823 -0.265 0.000 0.772 533 V HN 0.697 nan 8.190 nan 0.000 0.498 534 K N 1.503 121.925 120.400 0.036 0.000 2.444 534 K HA 0.060 4.338 4.320 -0.071 0.000 0.193 534 K C 0.671 177.383 176.600 0.186 0.000 1.024 534 K CA 0.717 57.071 56.287 0.113 0.000 1.077 534 K CB -0.591 32.014 32.500 0.175 0.000 0.833 534 K HN 0.876 nan 8.250 nan 0.000 0.517 535 H N -1.355 117.742 119.070 0.046 0.000 3.162 535 H HA 0.503 5.017 4.556 -0.071 0.000 0.309 535 H C -0.697 174.680 175.328 0.083 0.000 1.156 535 H CA -0.893 55.198 56.048 0.072 0.000 1.586 535 H CB 1.065 30.868 29.762 0.067 0.000 1.740 535 H HN 0.126 nan 8.280 nan 0.000 0.525 536 K N 1.147 121.640 120.400 0.155 0.000 1.057 536 K HA -0.001 4.277 4.320 -0.071 0.000 0.072 536 K C -3.008 173.731 176.600 0.232 0.000 2.360 536 K CA 0.054 56.468 56.287 0.212 0.000 0.953 536 K CB -0.303 32.260 32.500 0.104 0.000 2.617 536 K HN 0.466 nan 8.250 nan 0.000 0.311 537 P HA 0.185 nan 4.420 nan 0.000 0.284 537 P C -0.861 176.603 177.300 0.273 0.000 1.258 537 P CA 0.027 63.290 63.100 0.272 0.000 0.824 537 P CB 1.177 32.986 31.700 0.182 0.000 1.038 538 K N 1.338 121.928 120.400 0.317 0.000 4.926 538 K HA -0.194 4.084 4.320 -0.071 0.000 0.412 538 K C 1.279 178.024 176.600 0.241 0.000 0.867 538 K CA 0.687 57.129 56.287 0.258 0.000 0.998 538 K CB -1.163 31.455 32.500 0.196 0.000 1.967 538 K HN 0.540 nan 8.250 nan 0.000 0.314 539 A N 2.547 125.507 122.820 0.233 0.000 1.873 539 A HA -0.108 4.170 4.320 -0.071 0.000 0.218 539 A C 1.143 178.818 177.584 0.152 0.000 1.193 539 A CA 2.119 54.242 52.037 0.144 0.000 0.629 539 A CB 0.015 19.107 19.000 0.154 0.000 0.826 539 A HN 0.692 nan 8.150 nan 0.000 0.447 540 T N -1.355 113.299 114.554 0.167 0.000 2.932 540 T HA 0.552 4.860 4.350 -0.071 0.000 0.318 540 T C -1.635 173.136 174.700 0.118 0.000 1.265 540 T CA -0.806 61.401 62.100 0.178 0.000 1.036 540 T CB 1.038 69.982 68.868 0.126 0.000 1.209 540 T HN 0.219 nan 8.240 nan 0.000 0.484 541 K N 1.901 122.356 120.400 0.092 0.000 2.533 541 K HA 0.486 4.764 4.320 -0.071 0.000 0.272 541 K C -0.190 176.425 176.600 0.026 0.000 0.985 541 K CA -0.769 55.550 56.287 0.053 0.000 0.876 541 K CB 2.308 34.837 32.500 0.049 0.000 1.452 541 K HN 0.691 nan 8.250 nan 0.000 0.439 542 E N 1.272 121.479 120.200 0.012 0.000 4.517 542 E HA -0.041 4.266 4.350 -0.071 0.000 0.408 542 E C 1.331 177.921 176.600 -0.017 0.000 1.456 542 E CA 0.799 57.197 56.400 -0.005 0.000 2.449 542 E CB 0.180 29.876 29.700 -0.007 0.000 1.556 542 E HN 0.520 nan 8.360 nan 0.000 0.781 543 Q N 0.278 120.061 119.800 -0.028 0.000 2.167 543 Q HA -0.335 3.963 4.340 -0.071 0.000 0.218 543 Q C 1.835 177.810 176.000 -0.041 0.000 1.033 543 Q CA 2.225 58.003 55.803 -0.041 0.000 0.918 543 Q CB -1.217 27.496 28.738 -0.042 0.000 1.019 543 Q HN 0.521 nan 8.270 nan 0.000 0.417 544 L N 1.883 123.085 121.223 -0.035 0.000 2.239 544 L HA -0.275 4.022 4.340 -0.071 0.000 0.242 544 L C 2.336 179.180 176.870 -0.043 0.000 1.130 544 L CA 3.138 57.954 54.840 -0.039 0.000 0.852 544 L CB -2.190 39.857 42.059 -0.019 0.000 0.959 544 L HN 0.625 nan 8.230 nan 0.000 0.447 545 K N 0.336 120.719 120.400 -0.027 0.000 2.668 545 K HA 0.138 4.416 4.320 -0.071 0.000 0.204 545 K C 1.164 177.761 176.600 -0.004 0.000 1.016 545 K CA 0.938 57.214 56.287 -0.018 0.000 1.131 545 K CB -0.082 32.400 32.500 -0.030 0.000 0.891 545 K HN 0.353 nan 8.250 nan 0.000 0.499 546 A N 0.445 123.258 122.820 -0.013 0.000 2.382 546 A HA 0.096 4.374 4.320 -0.071 0.000 0.228 546 A C 1.574 179.138 177.584 -0.032 0.000 1.217 546 A CA -0.194 51.851 52.037 0.013 0.000 0.923 546 A CB 0.314 19.335 19.000 0.035 0.000 0.979 546 A HN 0.170 nan 8.150 nan 0.000 0.515 547 V N 0.396 120.248 119.914 -0.103 0.000 3.444 547 V HA -0.132 3.946 4.120 -0.071 0.000 0.271 547 V C 1.845 177.813 176.094 -0.210 0.000 1.188 547 V CA 1.471 63.623 62.300 -0.246 0.000 1.168 547 V CB -0.670 30.953 31.823 -0.334 0.000 0.810 547 V HN 0.512 nan 8.190 nan 0.000 0.500 548 M N -0.412 119.166 119.600 -0.037 0.000 2.131 548 M HA 0.081 4.519 4.480 -0.071 0.000 0.253 548 M C 1.511 177.892 176.300 0.135 0.000 1.107 548 M CA 1.292 56.638 55.300 0.077 0.000 1.147 548 M CB -1.374 31.270 32.600 0.073 0.000 1.279 548 M HN 0.186 nan 8.290 nan 0.000 0.432 549 D N 1.114 121.573 120.400 0.098 0.000 2.396 549 D HA -0.026 4.572 4.640 -0.071 0.000 0.255 549 D C 0.408 176.768 176.300 0.100 0.000 1.224 549 D CA 0.526 54.586 54.000 0.099 0.000 0.894 549 D CB -0.113 40.733 40.800 0.076 0.000 0.939 549 D HN 0.248 nan 8.370 nan 0.000 0.506 550 D N -1.585 118.896 120.400 0.135 0.000 2.504 550 D HA 0.029 4.627 4.640 -0.071 0.000 0.276 550 D C 1.228 177.669 176.300 0.235 0.000 1.073 550 D CA -0.048 54.032 54.000 0.132 0.000 0.905 550 D CB -0.070 40.784 40.800 0.090 0.000 1.350 550 D HN 0.063 nan 8.370 nan 0.000 0.496 551 F N 1.448 121.383 119.950 -0.026 0.000 2.583 551 F HA 0.148 4.632 4.527 -0.071 0.000 0.297 551 F C 1.308 177.124 175.800 0.026 0.000 1.131 551 F CA 0.234 58.237 58.000 0.005 0.000 1.467 551 F CB -0.410 38.591 39.000 0.001 0.000 1.097 551 F HN -0.095 nan 8.300 nan 0.000 0.586 552 A N -1.187 121.728 122.820 0.158 0.000 2.959 552 A HA 0.740 5.018 4.320 -0.071 0.000 0.280 552 A C 0.976 178.612 177.584 0.087 0.000 0.953 552 A CA 0.397 52.484 52.037 0.083 0.000 1.047 552 A CB -0.474 18.563 19.000 0.061 0.000 1.147 552 A HN 0.094 nan 8.150 nan 0.000 0.489 553 A N -1.217 121.666 122.820 0.105 0.000 2.548 553 A HA 0.410 4.688 4.320 -0.071 0.000 0.236 553 A C 0.901 178.587 177.584 0.170 0.000 1.246 553 A CA 0.209 52.305 52.037 0.099 0.000 0.993 553 A CB -0.101 18.939 19.000 0.066 0.000 1.209 553 A HN 0.400 nan 8.150 nan 0.000 0.570 554 F N 0.325 120.270 119.950 -0.009 0.000 2.558 554 F HA -0.034 4.451 4.527 -0.071 0.000 0.298 554 F C 2.249 178.027 175.800 -0.036 0.000 1.119 554 F CA 0.610 58.584 58.000 -0.044 0.000 1.451 554 F CB -0.275 38.653 39.000 -0.120 0.000 1.091 554 F HN 0.117 nan 8.300 nan 0.000 0.563 555 V N 0.033 120.047 119.914 0.166 0.000 2.481 555 V HA -0.360 3.718 4.120 -0.071 0.000 0.263 555 V C 1.855 178.081 176.094 0.220 0.000 1.108 555 V CA 2.408 64.798 62.300 0.149 0.000 1.113 555 V CB -0.093 31.800 31.823 0.115 0.000 0.684 555 V HN 0.269 nan 8.190 nan 0.000 0.467 556 E N 0.368 120.667 120.200 0.165 0.000 2.045 556 E HA 0.044 4.352 4.350 -0.071 0.000 0.195 556 E C 1.908 178.562 176.600 0.090 0.000 0.953 556 E CA 0.930 57.412 56.400 0.137 0.000 0.859 556 E CB -0.344 29.415 29.700 0.099 0.000 0.854 556 E HN 0.602 nan 8.360 nan 0.000 0.471 557 K N 0.469 120.928 120.400 0.099 0.000 2.675 557 K HA -0.046 4.231 4.320 -0.071 0.000 0.194 557 K C 0.971 177.375 176.600 -0.326 0.000 1.029 557 K CA 0.669 56.945 56.287 -0.019 0.000 0.980 557 K CB -0.625 31.971 32.500 0.160 0.000 0.803 557 K HN 0.219 nan 8.250 nan 0.000 0.493 558 c N -0.471 117.920 118.600 -0.348 0.000 2.881 558 c HA 0.327 4.854 4.570 -0.071 0.000 0.290 558 c C 1.086 175.072 174.090 -0.172 0.000 1.362 558 c CA -0.988 55.129 56.329 -0.353 0.000 1.757 558 c CB -1.479 40.763 42.510 -0.447 0.000 2.265 558 c HN 0.609 nan 8.230 nan 0.000 0.600 559 c N 0.802 119.374 118.600 -0.047 0.000 2.541 559 c HA 0.756 5.283 4.570 -0.071 0.000 0.405 559 c C -0.116 173.996 174.090 0.036 0.000 1.345 559 c CA -0.560 55.818 56.329 0.080 0.000 1.677 559 c CB -2.359 40.304 42.510 0.254 0.000 2.361 559 c HN 0.717 nan 8.230 nan 0.000 0.583 560 K N 0.243 120.637 120.400 -0.010 0.000 2.755 560 K HA 0.567 4.845 4.320 -0.071 0.000 0.294 560 K C -0.593 175.990 176.600 -0.028 0.000 1.060 560 K CA -0.154 56.126 56.287 -0.012 0.000 0.845 560 K CB 1.228 33.721 32.500 -0.011 0.000 1.539 560 K HN 1.324 nan 8.250 nan 0.000 0.379 561 A N 2.311 125.118 122.820 -0.022 0.000 1.936 561 A HA -0.083 4.194 4.320 -0.071 0.000 0.254 561 A C -0.379 177.189 177.584 -0.026 0.000 1.352 561 A CA 1.379 53.401 52.037 -0.025 0.000 0.724 561 A CB -1.655 17.326 19.000 -0.032 0.000 1.196 561 A HN 0.872 nan 8.150 nan 0.000 0.283 562 D N -0.386 120.003 120.400 -0.019 0.000 3.437 562 D HA -0.123 4.475 4.640 -0.071 0.000 0.243 562 D C 0.379 176.665 176.300 -0.022 0.000 1.104 562 D CA 1.742 55.730 54.000 -0.020 0.000 1.009 562 D CB -0.550 40.236 40.800 -0.023 0.000 0.937 562 D HN 0.780 nan 8.370 nan 0.000 0.417 563 D N 1.403 121.795 120.400 -0.012 0.000 2.311 563 D HA 0.169 4.766 4.640 -0.071 0.000 0.278 563 D C 1.170 177.463 176.300 -0.010 0.000 1.189 563 D CA -0.402 53.598 54.000 0.001 0.000 1.117 563 D CB -0.187 40.638 40.800 0.043 0.000 1.168 563 D HN 0.108 nan 8.370 nan 0.000 0.509 564 K N 0.005 120.412 120.400 0.012 0.000 3.070 564 K HA -0.227 4.050 4.320 -0.071 0.000 0.291 564 K C 1.012 177.520 176.600 -0.153 0.000 1.107 564 K CA 1.909 58.160 56.287 -0.060 0.000 0.877 564 K CB -0.605 31.840 32.500 -0.092 0.000 1.228 564 K HN 0.755 nan 8.250 nan 0.000 0.432 565 E N -0.967 119.185 120.200 -0.080 0.000 2.665 565 E HA 0.027 4.335 4.350 -0.071 0.000 0.225 565 E C 0.921 177.505 176.600 -0.026 0.000 0.922 565 E CA 0.912 57.276 56.400 -0.060 0.000 1.242 565 E CB -0.281 29.387 29.700 -0.054 0.000 1.197 565 E HN 0.127 nan 8.360 nan 0.000 0.581 566 T N 0.979 115.501 114.554 -0.053 0.000 2.474 566 T HA -0.138 4.169 4.350 -0.071 0.000 0.254 566 T C 1.318 175.928 174.700 -0.150 0.000 1.191 566 T CA 1.593 63.634 62.100 -0.097 0.000 1.231 566 T CB -1.145 67.656 68.868 -0.113 0.000 0.865 566 T HN 0.280 nan 8.240 nan 0.000 0.398 567 c N 1.217 119.628 118.600 -0.315 0.000 2.305 567 c HA 0.605 5.133 4.570 -0.071 0.000 0.378 567 c C 0.516 174.469 174.090 -0.228 0.000 1.047 567 c CA -0.761 55.249 56.329 -0.532 0.000 1.385 567 c CB -2.360 39.407 42.510 -1.238 0.000 1.825 567 c HN 0.627 nan 8.230 nan 0.000 0.508 568 F N 0.324 120.125 119.950 -0.249 0.000 2.302 568 F HA 0.169 4.654 4.527 -0.071 0.000 0.413 568 F C 1.904 177.648 175.800 -0.093 0.000 0.835 568 F CA 0.657 58.586 58.000 -0.118 0.000 0.891 568 F CB -0.754 38.225 39.000 -0.035 0.000 1.125 568 F HN 0.352 nan 8.300 nan 0.000 0.586 569 A N 0.138 123.011 122.820 0.089 0.000 1.935 569 A HA 0.036 4.314 4.320 -0.071 0.000 0.214 569 A C 1.835 179.387 177.584 -0.053 0.000 1.178 569 A CA 1.613 53.658 52.037 0.014 0.000 0.640 569 A CB -0.418 18.591 19.000 0.016 0.000 0.825 569 A HN 0.450 nan 8.150 nan 0.000 0.447 570 E N 0.102 120.253 120.200 -0.083 0.000 1.999 570 E HA -0.155 4.152 4.350 -0.071 0.000 0.194 570 E C 1.890 178.409 176.600 -0.136 0.000 0.995 570 E CA 0.997 57.328 56.400 -0.115 0.000 0.825 570 E CB -0.296 29.311 29.700 -0.154 0.000 0.777 570 E HN 0.512 nan 8.360 nan 0.000 0.459 571 E N 0.311 120.406 120.200 -0.175 0.000 2.119 571 E HA -0.287 4.021 4.350 -0.071 0.000 0.221 571 E C 2.228 178.720 176.600 -0.181 0.000 1.062 571 E CA 1.636 57.919 56.400 -0.194 0.000 0.894 571 E CB -0.880 28.671 29.700 -0.248 0.000 0.785 571 E HN 0.430 nan 8.360 nan 0.000 0.472 572 G N 1.867 110.551 108.800 -0.195 0.000 2.469 572 G HA2 -0.298 3.620 3.960 -0.071 0.000 0.220 572 G HA3 -0.298 3.620 3.960 -0.071 0.000 0.220 572 G C 1.592 176.433 174.900 -0.098 0.000 1.136 572 G CA 1.153 46.148 45.100 -0.174 0.000 0.759 572 G HN 0.158 nan 8.290 nan 0.000 0.562 573 K N 0.904 121.259 120.400 -0.075 0.000 1.980 573 K HA -0.063 4.215 4.320 -0.071 0.000 0.208 573 K C 2.301 178.879 176.600 -0.037 0.000 1.043 573 K CA 1.456 57.717 56.287 -0.043 0.000 0.938 573 K CB -0.312 32.167 32.500 -0.034 0.000 0.724 573 K HN 0.494 nan 8.250 nan 0.000 0.438 574 K N 1.433 121.797 120.400 -0.061 0.000 2.591 574 K HA 0.018 4.295 4.320 -0.071 0.000 0.197 574 K C 1.498 178.090 176.600 -0.013 0.000 1.026 574 K CA 0.607 56.864 56.287 -0.049 0.000 1.127 574 K CB 0.005 32.420 32.500 -0.141 0.000 0.871 574 K HN 0.126 nan 8.250 nan 0.000 0.507 575 L N -2.819 118.388 121.223 -0.027 0.000 3.227 575 L HA 0.208 4.506 4.340 -0.071 0.000 0.287 575 L C 0.944 177.825 176.870 0.018 0.000 1.161 575 L CA -0.121 54.721 54.840 0.004 0.000 1.048 575 L CB 1.023 43.009 42.059 -0.121 0.000 1.541 575 L HN -0.082 nan 8.230 nan 0.000 0.590 576 V N 0.169 120.078 119.914 -0.008 0.000 2.922 576 V HA 0.278 4.355 4.120 -0.071 0.000 0.242 576 V C 2.696 178.800 176.094 0.017 0.000 1.094 576 V CA 1.068 63.388 62.300 0.034 0.000 1.106 576 V CB -0.168 31.669 31.823 0.023 0.000 0.799 576 V HN 0.381 nan 8.190 nan 0.000 0.474 577 A N 0.703 123.530 122.820 0.011 0.000 1.986 577 A HA -0.135 4.143 4.320 -0.071 0.000 0.220 577 A C 2.186 179.793 177.584 0.038 0.000 1.171 577 A CA 2.173 54.221 52.037 0.018 0.000 0.640 577 A CB -0.570 18.444 19.000 0.024 0.000 0.811 577 A HN 0.606 nan 8.150 nan 0.000 0.451 578 A N -1.101 121.765 122.820 0.076 0.000 2.238 578 A HA 0.393 4.671 4.320 -0.071 0.000 0.208 578 A C 1.406 179.019 177.584 0.049 0.000 1.177 578 A CA 0.630 52.727 52.037 0.100 0.000 0.804 578 A CB -0.253 18.887 19.000 0.233 0.000 0.823 578 A HN 0.365 nan 8.150 nan 0.000 0.482 579 S N -1.229 114.490 115.700 0.032 0.000 2.686 579 S HA 0.339 4.766 4.470 -0.071 0.000 0.270 579 S C 0.963 175.532 174.600 -0.050 0.000 1.194 579 S CA -0.248 57.960 58.200 0.013 0.000 0.990 579 S CB 0.844 64.059 63.200 0.026 0.000 1.029 579 S HN 0.579 nan 8.310 nan 0.000 0.560 580 Q N 0.513 120.269 119.800 -0.073 0.000 2.712 580 Q HA -0.312 3.986 4.340 -0.071 0.000 0.472 580 Q C 0.284 176.258 176.000 -0.043 0.000 0.478 580 Q CA 2.299 58.048 55.803 -0.091 0.000 1.019 580 Q CB -0.858 27.686 28.738 -0.322 0.000 1.742 580 Q HN 0.866 nan 8.270 nan 0.000 1.116 581 A N -0.901 121.878 122.820 -0.069 0.000 2.969 581 A HA 0.664 4.942 4.320 -0.071 0.000 0.328 581 A C 0.125 177.708 177.584 -0.001 0.000 1.355 581 A CA 0.749 52.788 52.037 0.004 0.000 1.018 581 A CB -0.122 18.915 19.000 0.062 0.000 1.159 581 A HN 0.795 nan 8.150 nan 0.000 0.505 582 A N 1.250 124.068 122.820 -0.003 0.000 3.137 582 A HA 0.333 4.611 4.320 -0.071 0.000 0.192 582 A C -0.219 177.361 177.584 -0.006 0.000 1.546 582 A CA 0.146 52.184 52.037 -0.000 0.000 1.366 582 A CB -0.049 18.950 19.000 -0.001 0.000 1.113 582 A HN 0.521 nan 8.150 nan 0.000 0.391 583 L N 0.000 121.215 121.223 -0.013 0.000 2.949 583 L HA 0.000 4.298 4.340 -0.071 0.000 0.249 583 L CA 0.000 54.825 54.840 -0.024 0.000 0.813 583 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 583 L HN 0.000 nan 8.230 nan 0.000 0.502