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 2xvw_1_A DATA FIRST_RESID 3 DATA SEQUENCE HKSEVAHRFK DLGEENFKAL VLIAFAQYLQ QCPFEDHVKL VNEVTEFAKT DATA SEQUENCE cVADESAENc DKSLHTLFGD KLcTVATLRE TYGEMADccA KQEPERNEcF DATA SEQUENCE LQHKDDNPNL PRLVRPEVDV McTAFHDNEE TFLKKYLYEI ARRHPYFYAP DATA SEQUENCE ELLFFAKRYK AAFTEccQAA DKAAcLLPKL DELRDEGKAS SAKQRLKcAS DATA SEQUENCE LQKFGERAFK AWAVARLSQR FPKAEFAEVS KLVTDLTKVH TEccHGDLLE DATA SEQUENCE cADDRADLAK YIcENQDSIS SKLKEccEKP LLEKSHcIAE VENDEMPADL DATA SEQUENCE PSLAADFVES KDVcKNYAEA KDVFLGMFLY EYARRHPDYS VVLLLRLAKT DATA SEQUENCE YETTLEKccA AADPHEcYAK VFDEFKPLVE EPQNLIKQNc ELFEQLGEYK DATA SEQUENCE FQNALLVRYT KKVPQVSTPT LVEVSRNLGK VGSKccKHPE AKRMPcAEDY DATA SEQUENCE LSVVLNQLcV LHEKTPVSDR VTKccTESLV NRRPcFSALE VDETYVPKEF DATA SEQUENCE NAETFTFHAD IcTLSEKEEQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA LG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.336 175.328 0.013 0.000 0.993 3 H CA 0.000 56.037 56.048 -0.018 0.000 1.023 3 H CB 0.000 29.788 29.762 0.043 0.000 1.292 4 K N 0.692 121.223 120.400 0.220 0.000 2.057 4 K HA 0.025 4.348 4.320 0.007 0.000 0.207 4 K C 1.044 177.705 176.600 0.103 0.000 1.049 4 K CA 1.260 57.614 56.287 0.112 0.000 0.931 4 K CB -0.435 32.099 32.500 0.056 0.000 0.714 4 K HN 0.311 nan 8.250 nan 0.000 0.440 5 S N 0.121 115.891 115.700 0.117 0.000 2.552 5 S HA 0.249 4.723 4.470 0.007 0.000 0.314 5 S C 0.530 175.213 174.600 0.139 0.000 1.099 5 S CA -0.702 57.560 58.200 0.105 0.000 1.070 5 S CB 1.161 64.395 63.200 0.057 0.000 0.998 5 S HN 0.208 nan 8.310 nan 0.000 0.474 6 E N 2.940 123.222 120.200 0.137 0.000 2.046 6 E HA -0.093 4.261 4.350 0.007 0.000 0.190 6 E C 2.178 178.902 176.600 0.207 0.000 0.982 6 E CA 1.362 57.857 56.400 0.159 0.000 0.800 6 E CB -0.394 29.387 29.700 0.135 0.000 0.756 6 E HN 0.687 nan 8.360 nan 0.000 0.449 7 V N 0.841 120.873 119.914 0.197 0.000 2.407 7 V HA -0.183 3.941 4.120 0.007 0.000 0.248 7 V C 2.499 178.682 176.094 0.149 0.000 1.055 7 V CA 1.766 64.206 62.300 0.234 0.000 1.049 7 V CB -1.336 30.619 31.823 0.219 0.000 0.662 7 V HN 0.154 nan 8.190 nan 0.000 0.455 8 A N 0.121 122.978 122.820 0.063 0.000 1.877 8 A HA -0.282 4.042 4.320 0.007 0.000 0.216 8 A C 2.176 179.833 177.584 0.120 0.000 1.186 8 A CA 2.302 54.353 52.037 0.024 0.000 0.620 8 A CB -0.974 18.023 19.000 -0.005 0.000 0.822 8 A HN 0.731 nan 8.150 nan 0.000 0.443 9 H N -0.486 118.638 119.070 0.090 0.000 2.321 9 H HA -0.070 4.490 4.556 0.006 0.000 0.300 9 H C 2.312 177.707 175.328 0.110 0.000 1.087 9 H CA 1.960 58.066 56.048 0.096 0.000 1.319 9 H CB 0.091 29.905 29.762 0.087 0.000 1.379 9 H HN 0.255 nan 8.280 nan 0.000 0.501 10 R N -0.480 120.174 120.500 0.258 0.000 2.092 10 R HA -0.128 4.216 4.340 0.007 0.000 0.231 10 R C 2.287 178.706 176.300 0.197 0.000 1.119 10 R CA 1.126 57.376 56.100 0.250 0.000 0.970 10 R CB -1.146 29.364 30.300 0.351 0.000 0.864 10 R HN 0.365 nan 8.270 nan 0.000 0.440 11 F N 2.284 122.214 119.950 -0.034 0.000 2.102 11 F HA -0.189 4.342 4.527 0.007 0.000 0.298 11 F C 2.160 177.862 175.800 -0.163 0.000 1.105 11 F CA 1.650 59.470 58.000 -0.300 0.000 1.239 11 F CB -0.036 38.648 39.000 -0.526 0.000 0.991 11 F HN -0.103 nan 8.300 nan 0.000 0.474 12 K N -0.085 120.310 120.400 -0.009 0.000 2.032 12 K HA -0.185 4.139 4.320 0.007 0.000 0.209 12 K C 1.758 178.270 176.600 -0.145 0.000 1.048 12 K CA 1.746 57.981 56.287 -0.087 0.000 0.927 12 K CB -0.401 32.045 32.500 -0.090 0.000 0.712 12 K HN 0.257 nan 8.250 nan 0.000 0.441 13 D N 0.926 121.235 120.400 -0.151 0.000 2.077 13 D HA -0.147 4.497 4.640 0.007 0.000 0.193 13 D C 1.941 178.198 176.300 -0.071 0.000 0.989 13 D CA 0.974 54.912 54.000 -0.103 0.000 0.831 13 D CB -0.422 40.343 40.800 -0.058 0.000 0.979 13 D HN -0.057 nan 8.370 nan 0.000 0.449 14 L N -0.052 121.144 121.223 -0.045 0.000 2.012 14 L HA 0.053 4.397 4.340 0.007 0.000 0.210 14 L C 1.451 178.258 176.870 -0.105 0.000 1.073 14 L CA 1.872 56.693 54.840 -0.031 0.000 0.748 14 L CB -1.240 40.857 42.059 0.064 0.000 0.891 14 L HN 0.339 nan 8.230 nan 0.000 0.431 15 G N -1.830 106.812 108.800 -0.262 0.000 2.619 15 G HA2 -0.181 3.782 3.960 0.007 0.000 0.686 15 G HA3 -0.181 3.782 3.960 0.007 0.000 0.686 15 G C 0.375 174.982 174.900 -0.489 0.000 1.256 15 G CA 0.043 44.946 45.100 -0.329 0.000 0.826 15 G HN 0.178 nan 8.290 nan 0.000 0.619 16 E N -0.332 119.586 120.200 -0.469 0.000 2.015 16 E HA -0.122 4.232 4.350 0.007 0.000 0.191 16 E C 2.235 178.817 176.600 -0.029 0.000 0.991 16 E CA 1.518 57.721 56.400 -0.329 0.000 0.802 16 E CB -0.080 29.581 29.700 -0.065 0.000 0.759 16 E HN 0.503 nan 8.360 nan 0.000 0.447 17 E N 0.863 121.058 120.200 -0.008 0.000 2.065 17 E HA -0.222 4.132 4.350 0.007 0.000 0.201 17 E C 1.878 178.516 176.600 0.063 0.000 1.016 17 E CA 1.116 57.543 56.400 0.045 0.000 0.818 17 E CB -0.556 29.163 29.700 0.032 0.000 0.749 17 E HN 0.299 nan 8.360 nan 0.000 0.453 18 N N 0.241 118.963 118.700 0.036 0.000 2.120 18 N HA -0.130 4.614 4.740 0.007 0.000 0.188 18 N C 1.752 177.307 175.510 0.075 0.000 1.024 18 N CA 0.619 53.696 53.050 0.044 0.000 0.852 18 N CB -0.620 37.880 38.487 0.023 0.000 1.003 18 N HN 0.126 nan 8.380 nan 0.000 0.424 19 F N 2.166 122.073 119.950 -0.073 0.000 2.069 19 F HA -0.191 4.340 4.527 0.007 0.000 0.298 19 F C 2.135 177.967 175.800 0.054 0.000 1.113 19 F CA 1.629 59.616 58.000 -0.021 0.000 1.214 19 F CB -0.068 38.893 39.000 -0.065 0.000 0.978 19 F HN -0.079 nan 8.300 nan 0.000 0.474 20 K N -0.034 120.549 120.400 0.306 0.000 2.103 20 K HA -0.172 4.152 4.320 0.007 0.000 0.207 20 K C 2.231 178.887 176.600 0.093 0.000 1.048 20 K CA 1.237 57.654 56.287 0.217 0.000 0.930 20 K CB -0.492 32.143 32.500 0.225 0.000 0.716 20 K HN 0.394 nan 8.250 nan 0.000 0.444 21 A N 1.050 123.911 122.820 0.068 0.000 1.897 21 A HA -0.073 4.251 4.320 0.007 0.000 0.215 21 A C 2.086 179.665 177.584 -0.008 0.000 1.181 21 A CA 1.012 53.078 52.037 0.049 0.000 0.620 21 A CB -0.504 18.528 19.000 0.053 0.000 0.821 21 A HN 0.134 nan 8.150 nan 0.000 0.443 22 L N -0.419 120.761 121.223 -0.072 0.000 2.046 22 L HA -0.154 4.190 4.340 0.007 0.000 0.208 22 L C 2.515 179.266 176.870 -0.199 0.000 1.077 22 L CA 0.984 55.736 54.840 -0.147 0.000 0.747 22 L CB -0.516 41.426 42.059 -0.194 0.000 0.896 22 L HN 0.238 nan 8.230 nan 0.000 0.432 23 V N -0.118 119.650 119.914 -0.242 0.000 2.343 23 V HA -0.297 3.827 4.120 0.007 0.000 0.247 23 V C 2.384 178.486 176.094 0.014 0.000 1.051 23 V CA 1.657 63.830 62.300 -0.212 0.000 1.036 23 V CB -0.409 31.323 31.823 -0.151 0.000 0.654 23 V HN 0.315 nan 8.190 nan 0.000 0.451 24 L N 0.192 121.465 121.223 0.083 0.000 1.970 24 L HA -0.181 4.163 4.340 0.007 0.000 0.212 24 L C 2.224 179.146 176.870 0.086 0.000 1.071 24 L CA 2.073 57.002 54.840 0.148 0.000 0.751 24 L CB -0.562 41.576 42.059 0.131 0.000 0.889 24 L HN 0.224 nan 8.230 nan 0.000 0.432 25 I N -0.297 120.285 120.570 0.020 0.000 2.194 25 I HA -0.359 3.815 4.170 0.007 0.000 0.246 25 I C 2.609 178.703 176.117 -0.037 0.000 1.093 25 I CA 1.351 62.642 61.300 -0.015 0.000 1.355 25 I CB -0.750 37.225 38.000 -0.042 0.000 1.046 25 I HN 0.431 nan 8.210 nan 0.000 0.413 26 A N 0.674 123.437 122.820 -0.095 0.000 1.877 26 A HA -0.208 4.116 4.320 0.007 0.000 0.216 26 A C 2.083 179.725 177.584 0.098 0.000 1.186 26 A CA 1.655 53.618 52.037 -0.123 0.000 0.620 26 A CB -0.920 17.833 19.000 -0.412 0.000 0.822 26 A HN 0.328 nan 8.150 nan 0.000 0.443 27 F N 0.034 120.097 119.950 0.188 0.000 2.186 27 F HA 0.009 4.540 4.527 0.007 0.000 0.299 27 F C 2.769 178.568 175.800 -0.001 0.000 1.090 27 F CA 0.576 58.692 58.000 0.194 0.000 1.307 27 F CB -0.706 38.404 39.000 0.182 0.000 1.019 27 F HN 0.251 nan 8.300 nan 0.000 0.489 28 A N -0.580 122.215 122.820 -0.042 0.000 2.019 28 A HA -0.202 4.122 4.320 0.007 0.000 0.219 28 A C 2.081 179.645 177.584 -0.032 0.000 1.164 28 A CA 1.391 53.321 52.037 -0.179 0.000 0.644 28 A CB -0.676 18.259 19.000 -0.108 0.000 0.805 28 A HN 0.469 nan 8.150 nan 0.000 0.449 29 Q N -2.279 117.514 119.800 -0.012 0.000 2.311 29 Q HA -0.081 4.263 4.340 0.007 0.000 0.203 29 Q C 1.319 177.195 176.000 -0.207 0.000 0.954 29 Q CA 1.170 56.890 55.803 -0.138 0.000 0.885 29 Q CB -0.078 28.530 28.738 -0.218 0.000 0.963 29 Q HN 0.876 nan 8.270 nan 0.000 0.471 30 Y N -0.552 119.755 120.300 0.011 0.000 2.333 30 Y HA 0.030 4.584 4.550 0.007 0.000 0.287 30 Y C 0.686 176.540 175.900 -0.077 0.000 1.149 30 Y CA -0.055 58.033 58.100 -0.019 0.000 1.193 30 Y CB 0.386 38.841 38.460 -0.008 0.000 1.175 30 Y HN -0.042 nan 8.280 nan 0.000 0.518 31 L N 2.346 123.681 121.223 0.186 0.000 2.437 31 L HA 0.092 4.436 4.340 0.007 0.000 0.243 31 L C 0.991 178.081 176.870 0.366 0.000 1.346 31 L CA 0.480 55.389 54.840 0.116 0.000 1.233 31 L CB -0.615 41.605 42.059 0.268 0.000 1.436 31 L HN 0.325 nan 8.230 nan 0.000 0.416 32 Q N -0.564 119.385 119.800 0.249 0.000 2.364 32 Q HA -0.166 4.178 4.340 0.007 0.000 0.209 32 Q C 1.241 177.411 176.000 0.285 0.000 0.977 32 Q CA 0.954 56.881 55.803 0.207 0.000 0.885 32 Q CB 0.162 28.955 28.738 0.092 0.000 0.941 32 Q HN 0.577 nan 8.270 nan 0.000 0.464 33 Q N -0.558 119.509 119.800 0.445 0.000 2.376 33 Q HA 0.045 4.389 4.340 0.007 0.000 0.206 33 Q C 0.672 176.810 176.000 0.229 0.000 0.921 33 Q CA 0.226 56.184 55.803 0.259 0.000 0.911 33 Q CB 0.278 29.034 28.738 0.030 0.000 1.032 33 Q HN 0.320 nan 8.270 nan 0.000 0.510 34 C N 4.067 123.567 119.300 0.333 0.000 2.676 34 C HA 0.212 4.676 4.460 0.007 0.000 0.416 34 C C -1.614 173.488 174.990 0.187 0.000 1.299 34 C CA -1.026 58.068 59.018 0.126 0.000 2.048 34 C CB 0.210 27.893 27.740 -0.095 0.000 2.713 34 C HN 0.286 nan 8.230 nan 0.000 0.624 35 P HA 0.053 nan 4.420 nan 0.000 0.274 35 P C 0.595 177.833 177.300 -0.103 0.000 1.237 35 P CA -0.120 63.020 63.100 0.067 0.000 0.793 35 P CB 0.446 32.148 31.700 0.003 0.000 0.977 36 F N 2.220 121.883 119.950 -0.479 0.000 2.087 36 F HA -0.263 4.268 4.527 0.007 0.000 0.299 36 F C 1.805 177.408 175.800 -0.328 0.000 1.100 36 F CA 2.168 59.725 58.000 -0.738 0.000 1.226 36 F CB -0.838 37.737 39.000 -0.707 0.000 0.983 36 F HN 0.272 nan 8.300 nan 0.000 0.479 37 E N 0.256 120.258 120.200 -0.331 0.000 2.209 37 E HA -0.195 4.159 4.350 0.007 0.000 0.196 37 E C 1.723 178.123 176.600 -0.333 0.000 0.993 37 E CA 1.565 57.760 56.400 -0.342 0.000 0.819 37 E CB -0.606 29.002 29.700 -0.153 0.000 0.745 37 E HN 0.489 nan 8.360 nan 0.000 0.477 38 D N -0.482 119.725 120.400 -0.321 0.000 2.103 38 D HA -0.106 4.538 4.640 0.007 0.000 0.199 38 D C 1.735 177.802 176.300 -0.388 0.000 0.978 38 D CA 0.999 54.796 54.000 -0.338 0.000 0.829 38 D CB -0.168 40.411 40.800 -0.368 0.000 0.981 38 D HN 0.284 nan 8.370 nan 0.000 0.464 39 H N 0.009 118.902 119.070 -0.295 0.000 2.353 39 H HA -0.023 4.537 4.556 0.007 0.000 0.300 39 H C 2.296 177.444 175.328 -0.301 0.000 1.090 39 H CA 0.709 56.594 56.048 -0.272 0.000 1.327 39 H CB -0.437 29.238 29.762 -0.146 0.000 1.383 39 H HN 0.036 nan 8.280 nan 0.000 0.508 40 V N 1.360 121.076 119.914 -0.330 0.000 2.392 40 V HA -0.260 3.864 4.120 0.007 0.000 0.249 40 V C 2.616 178.598 176.094 -0.186 0.000 1.059 40 V CA 1.951 64.059 62.300 -0.321 0.000 1.051 40 V CB -0.438 31.085 31.823 -0.500 0.000 0.658 40 V HN 0.341 nan 8.190 nan 0.000 0.455 41 K N -0.004 120.273 120.400 -0.205 0.000 2.002 41 K HA -0.156 4.168 4.320 0.007 0.000 0.209 41 K C 2.181 178.700 176.600 -0.136 0.000 1.048 41 K CA 1.553 57.748 56.287 -0.153 0.000 0.930 41 K CB -0.243 32.157 32.500 -0.168 0.000 0.714 41 K HN 0.387 nan 8.250 nan 0.000 0.438 42 L N 0.743 121.841 121.223 -0.209 0.000 1.990 42 L HA -0.250 4.094 4.340 0.007 0.000 0.213 42 L C 2.468 179.297 176.870 -0.068 0.000 1.072 42 L CA 1.263 55.943 54.840 -0.267 0.000 0.755 42 L CB -0.651 41.018 42.059 -0.650 0.000 0.889 42 L HN 0.046 nan 8.230 nan 0.000 0.432 43 V N 0.210 120.133 119.914 0.015 0.000 2.252 43 V HA -0.338 3.786 4.120 0.007 0.000 0.249 43 V C 2.332 178.515 176.094 0.149 0.000 1.056 43 V CA 2.170 64.563 62.300 0.154 0.000 1.022 43 V CB -0.784 31.115 31.823 0.127 0.000 0.641 43 V HN 0.508 nan 8.190 nan 0.000 0.445 44 N N 0.189 118.931 118.700 0.071 0.000 2.061 44 N HA -0.212 4.532 4.740 0.007 0.000 0.193 44 N C 1.821 177.385 175.510 0.089 0.000 1.030 44 N CA 1.903 54.997 53.050 0.072 0.000 0.856 44 N CB -0.378 38.120 38.487 0.018 0.000 1.023 44 N HN 0.646 nan 8.380 nan 0.000 0.424 45 E N 0.325 120.561 120.200 0.059 0.000 2.077 45 E HA -0.082 4.272 4.350 0.007 0.000 0.193 45 E C 2.049 178.745 176.600 0.160 0.000 0.989 45 E CA 0.784 57.226 56.400 0.070 0.000 0.800 45 E CB 0.011 29.714 29.700 0.004 0.000 0.746 45 E HN 0.089 nan 8.360 nan 0.000 0.452 46 V N 1.227 121.269 119.914 0.214 0.000 2.358 46 V HA -0.221 3.903 4.120 0.007 0.000 0.246 46 V C 2.290 178.642 176.094 0.430 0.000 1.047 46 V CA 2.052 64.567 62.300 0.357 0.000 1.035 46 V CB -0.628 31.444 31.823 0.415 0.000 0.658 46 V HN 0.325 nan 8.190 nan 0.000 0.452 47 T N -0.557 114.230 114.554 0.388 0.000 2.674 47 T HA -0.178 4.176 4.350 0.007 0.000 0.265 47 T C 1.910 176.644 174.700 0.056 0.000 1.039 47 T CA 1.443 63.744 62.100 0.334 0.000 1.150 47 T CB -0.258 68.808 68.868 0.331 0.000 0.864 47 T HN 0.405 nan 8.240 nan 0.000 0.427 48 E N 0.853 121.101 120.200 0.081 0.000 2.049 48 E HA -0.123 4.231 4.350 0.007 0.000 0.198 48 E C 1.883 178.473 176.600 -0.016 0.000 1.007 48 E CA 1.045 57.450 56.400 0.009 0.000 0.809 48 E CB -0.696 29.033 29.700 0.048 0.000 0.749 48 E HN 0.529 nan 8.360 nan 0.000 0.450 49 F N 1.530 121.456 119.950 -0.040 0.000 2.120 49 F HA -0.244 4.287 4.527 0.006 0.000 0.300 49 F C 2.204 177.937 175.800 -0.112 0.000 1.095 49 F CA 1.668 59.642 58.000 -0.043 0.000 1.249 49 F CB -0.549 38.462 39.000 0.018 0.000 0.995 49 F HN -0.002 nan 8.300 nan 0.000 0.480 50 A N 0.367 122.990 122.820 -0.329 0.000 1.883 50 A HA -0.250 4.074 4.320 0.007 0.000 0.217 50 A C 2.291 179.365 177.584 -0.849 0.000 1.186 50 A CA 2.068 53.727 52.037 -0.629 0.000 0.624 50 A CB -0.824 17.768 19.000 -0.679 0.000 0.822 50 A HN 0.489 nan 8.150 nan 0.000 0.444 51 K N -1.034 118.875 120.400 -0.818 0.000 2.209 51 K HA -0.093 4.231 4.320 0.007 0.000 0.204 51 K C 2.026 178.377 176.600 -0.415 0.000 1.048 51 K CA 1.566 57.453 56.287 -0.667 0.000 0.940 51 K CB -0.305 31.930 32.500 -0.440 0.000 0.729 51 K HN 0.489 nan 8.250 nan 0.000 0.451 52 T N 0.441 114.766 114.554 -0.382 0.000 2.746 52 T HA -0.147 4.207 4.350 0.007 0.000 0.267 52 T C 1.976 176.489 174.700 -0.311 0.000 1.039 52 T CA 1.155 63.085 62.100 -0.283 0.000 1.142 52 T CB -0.227 68.503 68.868 -0.231 0.000 0.866 52 T HN 0.335 nan 8.240 nan 0.000 0.444 53 c N 0.809 119.133 118.600 -0.461 0.000 2.450 53 c HA 0.088 4.662 4.570 0.007 0.000 0.279 53 c C 2.794 176.743 174.090 -0.235 0.000 1.335 53 c CA -0.176 55.940 56.329 -0.355 0.000 1.749 53 c CB -1.071 41.164 42.510 -0.459 0.000 1.963 53 c HN 0.340 nan 8.230 nan 0.000 0.501 54 V N 1.591 121.338 119.914 -0.278 0.000 2.343 54 V HA -0.211 3.913 4.120 0.007 0.000 0.247 54 V C 2.716 178.737 176.094 -0.121 0.000 1.051 54 V CA 2.255 64.450 62.300 -0.174 0.000 1.036 54 V CB -1.171 30.530 31.823 -0.204 0.000 0.654 54 V HN 0.596 nan 8.190 nan 0.000 0.451 55 A N -0.344 122.390 122.820 -0.144 0.000 1.855 55 A HA -0.150 4.174 4.320 0.007 0.000 0.215 55 A C 1.379 178.917 177.584 -0.076 0.000 1.191 55 A CA 1.842 53.821 52.037 -0.098 0.000 0.613 55 A CB -0.205 18.733 19.000 -0.102 0.000 0.829 55 A HN 0.550 nan 8.150 nan 0.000 0.442 56 D N -1.275 119.072 120.400 -0.087 0.000 2.375 56 D HA 0.237 4.881 4.640 0.007 0.000 0.259 56 D C 0.916 177.178 176.300 -0.063 0.000 1.235 56 D CA -0.011 53.953 54.000 -0.061 0.000 0.924 56 D CB 0.554 41.324 40.800 -0.049 0.000 1.143 56 D HN 0.512 nan 8.370 nan 0.000 0.529 57 E N 0.808 120.980 120.200 -0.047 0.000 2.233 57 E HA -0.205 4.149 4.350 0.007 0.000 0.199 57 E C 0.568 177.159 176.600 -0.016 0.000 1.004 57 E CA 1.066 57.448 56.400 -0.031 0.000 0.819 57 E CB -0.085 29.610 29.700 -0.009 0.000 0.738 57 E HN 0.171 nan 8.360 nan 0.000 0.478 58 S N 0.393 116.085 115.700 -0.013 0.000 2.577 58 S HA 0.384 4.858 4.470 0.007 0.000 0.219 58 S C 0.551 175.156 174.600 0.008 0.000 0.962 58 S CA -0.076 58.125 58.200 0.003 0.000 0.921 58 S CB 0.537 63.737 63.200 0.002 0.000 0.789 58 S HN 0.506 nan 8.310 nan 0.000 0.497 59 A N 1.784 124.600 122.820 -0.006 0.000 2.366 59 A HA 0.239 4.563 4.320 0.007 0.000 0.250 59 A C 0.451 178.069 177.584 0.057 0.000 1.099 59 A CA -0.343 51.698 52.037 0.008 0.000 0.794 59 A CB 0.022 19.006 19.000 -0.028 0.000 1.056 59 A HN 0.431 nan 8.150 nan 0.000 0.499 60 E N 0.461 120.710 120.200 0.083 0.000 2.608 60 E HA -0.102 4.252 4.350 0.007 0.000 0.259 60 E C 0.232 176.969 176.600 0.228 0.000 0.951 60 E CA 0.854 57.327 56.400 0.122 0.000 0.945 60 E CB -0.016 29.748 29.700 0.107 0.000 0.916 60 E HN 0.668 nan 8.360 nan 0.000 0.477 61 N N 1.558 120.366 118.700 0.181 0.000 2.922 61 N HA -0.291 4.453 4.740 0.007 0.000 0.231 61 N C 0.900 176.615 175.510 0.341 0.000 0.889 61 N CA 1.420 54.603 53.050 0.223 0.000 1.027 61 N CB -1.872 36.705 38.487 0.150 0.000 1.059 61 N HN 0.519 nan 8.380 nan 0.000 0.613 62 c N 1.742 120.521 118.600 0.298 0.000 2.409 62 c HA -0.122 4.452 4.570 0.007 0.000 0.288 62 c C 2.226 176.404 174.090 0.147 0.000 1.395 62 c CA 1.005 57.443 56.329 0.181 0.000 1.792 62 c CB -1.004 41.506 42.510 0.000 0.000 1.847 62 c HN 0.570 nan 8.230 nan 0.000 0.534 63 D N 0.945 121.425 120.400 0.132 0.000 2.213 63 D HA -0.067 4.577 4.640 0.007 0.000 0.205 63 D C 0.648 177.017 176.300 0.115 0.000 0.961 63 D CA 0.454 54.517 54.000 0.105 0.000 0.853 63 D CB -0.425 40.424 40.800 0.081 0.000 0.967 63 D HN 0.399 nan 8.370 nan 0.000 0.496 64 K N 1.558 122.037 120.400 0.131 0.000 2.527 64 K HA 0.067 4.391 4.320 0.007 0.000 0.278 64 K C 0.847 177.529 176.600 0.138 0.000 0.981 64 K CA -0.001 56.359 56.287 0.121 0.000 1.009 64 K CB 0.545 33.111 32.500 0.111 0.000 0.895 64 K HN 0.220 nan 8.250 nan 0.000 0.493 65 S N 2.329 118.105 115.700 0.126 0.000 2.589 65 S HA 0.026 4.500 4.470 0.007 0.000 0.265 65 S C 1.353 176.047 174.600 0.156 0.000 1.342 65 S CA -0.508 57.778 58.200 0.142 0.000 1.005 65 S CB 0.459 63.749 63.200 0.150 0.000 0.909 65 S HN 0.554 nan 8.310 nan 0.000 0.555 66 L N 0.666 121.974 121.223 0.141 0.000 2.046 66 L HA -0.086 4.258 4.340 0.007 0.000 0.208 66 L C 2.611 179.516 176.870 0.058 0.000 1.077 66 L CA 1.674 56.566 54.840 0.085 0.000 0.747 66 L CB -0.815 41.241 42.059 -0.004 0.000 0.896 66 L HN 0.805 nan 8.230 nan 0.000 0.432 67 H N -0.914 118.208 119.070 0.086 0.000 2.319 67 H HA -0.160 4.399 4.556 0.006 0.000 0.299 67 H C 2.344 177.751 175.328 0.131 0.000 1.092 67 H CA 2.076 58.188 56.048 0.107 0.000 1.302 67 H CB -0.372 29.442 29.762 0.088 0.000 1.373 67 H HN 0.224 nan 8.280 nan 0.000 0.497 68 T N 0.738 115.426 114.554 0.224 0.000 2.708 68 T HA -0.144 4.210 4.350 0.007 0.000 0.266 68 T C 2.223 176.984 174.700 0.103 0.000 1.037 68 T CA 1.275 63.462 62.100 0.146 0.000 1.146 68 T CB -0.412 68.525 68.868 0.116 0.000 0.865 68 T HN 0.162 nan 8.240 nan 0.000 0.435 69 L N -0.236 121.052 121.223 0.110 0.000 1.989 69 L HA -0.074 4.270 4.340 0.007 0.000 0.211 69 L C 2.334 179.249 176.870 0.075 0.000 1.071 69 L CA 1.500 56.383 54.840 0.072 0.000 0.749 69 L CB -0.570 41.566 42.059 0.128 0.000 0.890 69 L HN 0.181 nan 8.230 nan 0.000 0.431 70 F N 0.808 120.724 119.950 -0.058 0.000 2.126 70 F HA -0.156 4.375 4.527 0.007 0.000 0.299 70 F C 2.196 177.906 175.800 -0.149 0.000 1.096 70 F CA 1.543 59.460 58.000 -0.138 0.000 1.255 70 F CB -0.727 38.105 39.000 -0.281 0.000 0.997 70 F HN -0.011 nan 8.300 nan 0.000 0.479 71 G N -0.261 108.481 108.800 -0.096 0.000 2.421 71 G HA2 -0.267 3.697 3.960 0.007 0.000 0.216 71 G HA3 -0.267 3.697 3.960 0.007 0.000 0.216 71 G C 1.399 176.213 174.900 -0.142 0.000 1.171 71 G CA 1.009 46.018 45.100 -0.151 0.000 0.775 71 G HN 0.319 nan 8.290 nan 0.000 0.543 72 D N 0.519 120.878 120.400 -0.068 0.000 2.104 72 D HA -0.099 4.545 4.640 0.007 0.000 0.194 72 D C 2.330 178.558 176.300 -0.121 0.000 0.994 72 D CA 1.181 55.140 54.000 -0.068 0.000 0.830 72 D CB -0.138 40.627 40.800 -0.059 0.000 0.959 72 D HN 0.211 nan 8.370 nan 0.000 0.452 73 K N 0.307 120.616 120.400 -0.153 0.000 2.148 73 K HA -0.058 4.266 4.320 0.007 0.000 0.204 73 K C 1.890 178.348 176.600 -0.237 0.000 1.050 73 K CA 0.315 56.505 56.287 -0.163 0.000 0.942 73 K CB -0.487 31.972 32.500 -0.069 0.000 0.724 73 K HN -0.000 nan 8.250 nan 0.000 0.446 74 L N 0.182 121.195 121.223 -0.351 0.000 2.046 74 L HA -0.150 4.194 4.340 0.007 0.000 0.208 74 L C 1.648 178.372 176.870 -0.244 0.000 1.077 74 L CA 1.576 56.147 54.840 -0.449 0.000 0.747 74 L CB -0.612 40.897 42.059 -0.917 0.000 0.896 74 L HN 0.237 nan 8.230 nan 0.000 0.432 75 c N -1.495 117.026 118.600 -0.132 0.000 2.539 75 c HA -0.000 4.573 4.570 0.007 0.000 0.271 75 c C 2.542 176.608 174.090 -0.040 0.000 1.412 75 c CA 0.770 57.093 56.329 -0.010 0.000 1.729 75 c CB -1.478 41.059 42.510 0.045 0.000 1.739 75 c HN 0.526 nan 8.230 nan 0.000 0.570 76 T N 0.705 115.205 114.554 -0.090 0.000 2.942 76 T HA -0.028 4.326 4.350 0.007 0.000 0.265 76 T C 0.867 175.518 174.700 -0.082 0.000 1.062 76 T CA 0.747 62.792 62.100 -0.091 0.000 1.139 76 T CB -0.012 68.779 68.868 -0.127 0.000 0.883 76 T HN 0.246 nan 8.240 nan 0.000 0.468 77 V N 2.740 122.601 119.914 -0.088 0.000 2.452 77 V HA 0.069 4.193 4.120 0.007 0.000 0.286 77 V C 1.585 177.668 176.094 -0.019 0.000 0.995 77 V CA 0.116 62.380 62.300 -0.060 0.000 1.116 77 V CB -0.073 31.731 31.823 -0.031 0.000 0.954 77 V HN 0.450 nan 8.190 nan 0.000 0.473 78 A N 4.832 127.633 122.820 -0.032 0.000 1.933 78 A HA -0.111 4.213 4.320 0.007 0.000 0.218 78 A C 2.057 179.636 177.584 -0.008 0.000 1.175 78 A CA 1.849 53.873 52.037 -0.022 0.000 0.628 78 A CB -0.473 18.506 19.000 -0.034 0.000 0.814 78 A HN 0.917 nan 8.150 nan 0.000 0.444 79 T N -2.264 112.284 114.554 -0.009 0.000 3.272 79 T HA 0.221 4.575 4.350 0.007 0.000 0.250 79 T C 1.294 176.010 174.700 0.026 0.000 1.082 79 T CA 0.435 62.527 62.100 -0.014 0.000 0.968 79 T CB -0.203 68.637 68.868 -0.048 0.000 1.015 79 T HN 0.098 nan 8.240 nan 0.000 0.563 80 L N 2.018 123.294 121.223 0.088 0.000 1.971 80 L HA -0.048 4.296 4.340 0.007 0.000 0.215 80 L C 2.773 179.747 176.870 0.173 0.000 1.072 80 L CA 1.972 56.938 54.840 0.210 0.000 0.758 80 L CB -0.615 41.532 42.059 0.148 0.000 0.889 80 L HN 0.330 nan 8.230 nan 0.000 0.433 81 R N -0.751 119.797 120.500 0.079 0.000 2.066 81 R HA -0.152 4.192 4.340 0.007 0.000 0.232 81 R C 2.218 178.524 176.300 0.009 0.000 1.131 81 R CA 1.770 57.898 56.100 0.045 0.000 0.955 81 R CB -0.452 29.859 30.300 0.018 0.000 0.851 81 R HN 0.496 nan 8.270 nan 0.000 0.432 82 E N 0.055 120.246 120.200 -0.015 0.000 2.058 82 E HA -0.168 4.186 4.350 0.007 0.000 0.194 82 E C 1.894 178.437 176.600 -0.094 0.000 0.997 82 E CA 2.007 58.380 56.400 -0.046 0.000 0.801 82 E CB -1.212 28.459 29.700 -0.049 0.000 0.746 82 E HN 0.614 nan 8.360 nan 0.000 0.450 83 T N -1.070 113.385 114.554 -0.164 0.000 2.976 83 T HA 0.082 4.436 4.350 0.007 0.000 0.257 83 T C 1.080 175.490 174.700 -0.484 0.000 1.051 83 T CA 1.100 62.971 62.100 -0.381 0.000 1.141 83 T CB -0.155 68.342 68.868 -0.618 0.000 0.881 83 T HN 0.557 nan 8.240 nan 0.000 0.461 84 Y N 0.693 121.004 120.300 0.018 0.000 2.531 84 Y HA 0.446 5.000 4.550 0.006 0.000 0.249 84 Y C 1.890 177.790 175.900 -0.000 0.000 1.168 84 Y CA -0.704 57.412 58.100 0.027 0.000 1.226 84 Y CB -0.397 38.097 38.460 0.056 0.000 1.177 84 Y HN 0.286 nan 8.280 nan 0.000 0.527 85 G N 1.343 110.190 108.800 0.078 0.000 2.700 85 G HA2 -0.554 3.410 3.960 0.007 0.000 0.350 85 G HA3 -0.554 3.410 3.960 0.007 0.000 0.350 85 G C 1.398 176.301 174.900 0.005 0.000 1.250 85 G CA 1.357 46.477 45.100 0.034 0.000 0.978 85 G HN 0.433 nan 8.290 nan 0.000 0.551 86 E N -0.260 119.922 120.200 -0.029 0.000 2.197 86 E HA -0.291 4.063 4.350 0.007 0.000 0.205 86 E C 2.551 178.980 176.600 -0.286 0.000 1.029 86 E CA 2.170 58.499 56.400 -0.120 0.000 0.828 86 E CB -0.227 29.420 29.700 -0.088 0.000 0.737 86 E HN 0.558 nan 8.360 nan 0.000 0.464 87 M N -0.225 119.216 119.600 -0.266 0.000 2.149 87 M HA -0.187 4.297 4.480 0.007 0.000 0.261 87 M C 2.167 178.381 176.300 -0.143 0.000 1.064 87 M CA 1.699 56.821 55.300 -0.297 0.000 1.102 87 M CB -0.096 32.502 32.600 -0.003 0.000 1.369 87 M HN 0.268 nan 8.290 nan 0.000 0.408 88 A N 0.243 123.049 122.820 -0.023 0.000 2.024 88 A HA -0.202 4.122 4.320 0.007 0.000 0.220 88 A C 1.498 179.047 177.584 -0.058 0.000 1.164 88 A CA 1.966 54.009 52.037 0.011 0.000 0.643 88 A CB -0.830 18.193 19.000 0.039 0.000 0.806 88 A HN 0.570 nan 8.150 nan 0.000 0.451 89 D N -0.608 119.729 120.400 -0.105 0.000 2.309 89 D HA -0.099 4.545 4.640 0.007 0.000 0.212 89 D C 1.744 177.957 176.300 -0.144 0.000 0.968 89 D CA 0.890 54.831 54.000 -0.100 0.000 0.882 89 D CB -0.509 40.238 40.800 -0.088 0.000 0.918 89 D HN 0.482 nan 8.370 nan 0.000 0.503 90 c N 0.180 118.623 118.600 -0.261 0.000 2.435 90 c HA -0.122 4.452 4.570 0.007 0.000 0.279 90 c C 2.832 176.747 174.090 -0.292 0.000 1.321 90 c CA 0.067 56.139 56.329 -0.429 0.000 1.752 90 c CB -0.911 40.956 42.510 -1.071 0.000 1.959 90 c HN 0.452 nan 8.230 nan 0.000 0.500 91 c N 0.886 119.405 118.600 -0.135 0.000 2.437 91 c HA 0.035 4.609 4.570 0.007 0.000 0.283 91 c C 2.833 176.914 174.090 -0.014 0.000 1.424 91 c CA 0.951 57.279 56.329 -0.001 0.000 1.782 91 c CB -1.675 40.869 42.510 0.056 0.000 1.833 91 c HN 0.720 nan 8.230 nan 0.000 0.532 92 A N 0.073 122.869 122.820 -0.040 0.000 2.072 92 A HA 0.038 4.362 4.320 0.007 0.000 0.216 92 A C 1.015 178.585 177.584 -0.023 0.000 1.156 92 A CA 0.641 52.663 52.037 -0.025 0.000 0.701 92 A CB -0.086 18.897 19.000 -0.027 0.000 0.816 92 A HN 0.653 nan 8.150 nan 0.000 0.458 93 K N -0.056 120.320 120.400 -0.039 0.000 2.126 93 K HA 0.509 4.833 4.320 0.007 0.000 0.257 93 K C 0.425 177.023 176.600 -0.003 0.000 1.007 93 K CA 0.227 56.499 56.287 -0.026 0.000 0.928 93 K CB 0.454 32.926 32.500 -0.046 0.000 1.013 93 K HN 0.379 nan 8.250 nan 0.000 0.473 94 Q N 1.386 121.190 119.800 0.007 0.000 2.212 94 Q HA 0.177 4.521 4.340 0.007 0.000 0.238 94 Q C -0.442 175.578 176.000 0.032 0.000 0.955 94 Q CA -0.570 55.246 55.803 0.022 0.000 0.906 94 Q CB 0.577 29.326 28.738 0.018 0.000 1.215 94 Q HN 0.635 nan 8.270 nan 0.000 0.478 95 E N 1.378 121.606 120.200 0.046 0.000 2.354 95 E HA 0.218 4.572 4.350 0.007 0.000 0.269 95 E C -1.575 175.044 176.600 0.031 0.000 1.036 95 E CA -1.461 54.973 56.400 0.056 0.000 0.876 95 E CB 1.306 31.050 29.700 0.073 0.000 1.009 95 E HN 0.558 nan 8.360 nan 0.000 0.416 96 P HA 0.074 nan 4.420 nan 0.000 0.255 96 P C -0.140 177.187 177.300 0.045 0.000 1.248 96 P CA 0.262 63.376 63.100 0.023 0.000 0.807 96 P CB 0.579 32.268 31.700 -0.018 0.000 1.150 97 E N 0.582 120.802 120.200 0.034 0.000 2.153 97 E HA -0.144 4.210 4.350 0.007 0.000 0.194 97 E C 2.252 178.863 176.600 0.018 0.000 0.988 97 E CA 0.940 57.355 56.400 0.026 0.000 0.811 97 E CB -0.474 29.232 29.700 0.010 0.000 0.746 97 E HN 0.207 nan 8.360 nan 0.000 0.466 98 R N 0.621 121.138 120.500 0.028 0.000 2.070 98 R HA -0.178 4.166 4.340 0.007 0.000 0.233 98 R C 2.124 178.497 176.300 0.121 0.000 1.137 98 R CA 1.831 57.935 56.100 0.007 0.000 0.945 98 R CB -0.219 30.136 30.300 0.091 0.000 0.845 98 R HN 0.127 nan 8.270 nan 0.000 0.430 99 N N 0.304 119.154 118.700 0.249 0.000 2.120 99 N HA -0.214 4.530 4.740 0.007 0.000 0.188 99 N C 1.638 177.320 175.510 0.287 0.000 1.024 99 N CA 1.730 55.003 53.050 0.372 0.000 0.852 99 N CB -0.123 38.560 38.487 0.327 0.000 1.003 99 N HN 0.193 nan 8.380 nan 0.000 0.424 100 E N 0.035 120.332 120.200 0.162 0.000 2.085 100 E HA -0.150 4.204 4.350 0.007 0.000 0.194 100 E C 2.108 178.774 176.600 0.110 0.000 0.994 100 E CA 0.982 57.457 56.400 0.125 0.000 0.801 100 E CB -0.978 28.780 29.700 0.097 0.000 0.743 100 E HN 0.490 nan 8.360 nan 0.000 0.453 101 c N -0.461 118.172 118.600 0.054 0.000 2.429 101 c HA -0.119 4.455 4.570 0.007 0.000 0.277 101 c C 2.417 176.579 174.090 0.120 0.000 1.262 101 c CA 0.759 57.100 56.329 0.020 0.000 1.733 101 c CB -1.520 40.909 42.510 -0.136 0.000 2.010 101 c HN 0.457 nan 8.230 nan 0.000 0.483 102 F N 0.517 120.609 119.950 0.236 0.000 2.134 102 F HA -0.026 4.505 4.527 0.006 0.000 0.299 102 F C 2.146 178.139 175.800 0.322 0.000 1.097 102 F CA 1.117 59.297 58.000 0.300 0.000 1.264 102 F CB -0.977 38.174 39.000 0.252 0.000 1.001 102 F HN 0.103 nan 8.300 nan 0.000 0.479 103 L N 0.160 121.634 121.223 0.420 0.000 2.012 103 L HA -0.246 4.098 4.340 0.007 0.000 0.210 103 L C 2.292 179.243 176.870 0.135 0.000 1.073 103 L CA 1.789 56.769 54.840 0.234 0.000 0.748 103 L CB -1.602 40.498 42.059 0.069 0.000 0.891 103 L HN 0.270 nan 8.230 nan 0.000 0.431 104 Q N -1.455 118.371 119.800 0.044 0.000 2.439 104 Q HA -0.163 4.181 4.340 0.007 0.000 0.211 104 Q C 0.956 176.784 176.000 -0.285 0.000 0.978 104 Q CA 0.907 56.629 55.803 -0.135 0.000 0.897 104 Q CB -0.088 28.491 28.738 -0.266 0.000 0.956 104 Q HN 0.624 nan 8.270 nan 0.000 0.483 105 H N -0.414 118.735 119.070 0.132 0.000 2.592 105 H HA 0.210 4.770 4.556 0.007 0.000 0.279 105 H C -0.196 175.200 175.328 0.113 0.000 1.089 105 H CA -0.080 56.042 56.048 0.124 0.000 1.150 105 H CB 0.425 30.265 29.762 0.129 0.000 1.575 105 H HN 0.047 nan 8.280 nan 0.000 0.547 106 K N 2.045 122.527 120.400 0.137 0.000 2.312 106 K HA 0.024 4.347 4.320 0.007 0.000 0.287 106 K C -0.737 175.870 176.600 0.011 0.000 1.062 106 K CA -0.383 55.896 56.287 -0.014 0.000 0.934 106 K CB 0.537 32.904 32.500 -0.221 0.000 1.027 106 K HN -0.040 nan 8.250 nan 0.000 0.478 107 D N 3.717 124.117 120.400 -0.001 0.000 2.374 107 D HA 0.083 4.727 4.640 0.007 0.000 0.240 107 D C 1.062 177.361 176.300 -0.000 0.000 1.229 107 D CA 0.467 54.487 54.000 0.033 0.000 0.895 107 D CB 0.930 41.758 40.800 0.046 0.000 1.046 107 D HN 0.680 nan 8.370 nan 0.000 0.498 108 D N 2.945 123.418 120.400 0.121 0.000 2.271 108 D HA -0.141 4.503 4.640 0.007 0.000 0.207 108 D C 0.778 177.116 176.300 0.063 0.000 0.983 108 D CA 1.419 55.546 54.000 0.211 0.000 0.878 108 D CB -0.672 40.320 40.800 0.321 0.000 0.920 108 D HN 0.625 nan 8.370 nan 0.000 0.479 109 N N 0.249 118.958 118.700 0.015 0.000 2.969 109 N HA 0.473 5.217 4.740 0.007 0.000 0.230 109 N C -2.861 172.634 175.510 -0.024 0.000 1.397 109 N CA -0.412 52.618 53.050 -0.033 0.000 0.762 109 N CB 0.932 39.409 38.487 -0.016 0.000 1.495 109 N HN 0.245 nan 8.380 nan 0.000 0.583 110 P HA 0.260 nan 4.420 nan 0.000 0.275 110 P C 0.321 177.611 177.300 -0.016 0.000 1.270 110 P CA 0.102 63.195 63.100 -0.011 0.000 0.791 110 P CB 0.490 32.184 31.700 -0.009 0.000 1.089 111 N N 0.630 119.328 118.700 -0.003 0.000 3.250 111 N HA 0.323 5.067 4.740 0.007 0.000 0.307 111 N C 0.248 175.753 175.510 -0.009 0.000 1.355 111 N CA -0.392 52.655 53.050 -0.006 0.000 1.192 111 N CB -0.793 37.695 38.487 0.002 0.000 1.478 111 N HN 0.247 nan 8.380 nan 0.000 0.543 112 L N -0.114 121.096 121.223 -0.021 0.000 2.399 112 L HA 0.554 4.898 4.340 0.007 0.000 0.265 112 L C -1.793 175.066 176.870 -0.019 0.000 1.089 112 L CA -1.826 53.000 54.840 -0.023 0.000 0.802 112 L CB 1.387 43.420 42.059 -0.043 0.000 1.180 112 L HN 0.288 nan 8.230 nan 0.000 0.454 113 P HA 0.168 nan 4.420 nan 0.000 0.275 113 P C -1.212 176.086 177.300 -0.004 0.000 1.227 113 P CA -0.654 62.442 63.100 -0.005 0.000 0.781 113 P CB 0.440 32.139 31.700 -0.001 0.000 0.906 114 R N 2.041 122.544 120.500 0.004 0.000 2.585 114 R HA 0.148 4.492 4.340 0.007 0.000 0.275 114 R C -0.488 175.824 176.300 0.021 0.000 1.018 114 R CA -0.411 55.697 56.100 0.012 0.000 1.072 114 R CB -0.235 30.075 30.300 0.017 0.000 0.953 114 R HN 0.237 nan 8.270 nan 0.000 0.419 115 L N 5.021 126.262 121.223 0.030 0.000 2.369 115 L HA 0.139 4.483 4.340 0.007 0.000 0.279 115 L C -0.205 176.703 176.870 0.062 0.000 1.108 115 L CA -0.061 54.809 54.840 0.051 0.000 0.852 115 L CB 1.230 43.327 42.059 0.064 0.000 1.169 115 L HN 0.660 nan 8.230 nan 0.000 0.452 116 V N 3.508 123.465 119.914 0.072 0.000 2.716 116 V HA 0.555 4.679 4.120 0.007 0.000 0.304 116 V C 0.199 176.350 176.094 0.094 0.000 1.053 116 V CA -0.954 61.388 62.300 0.069 0.000 0.984 116 V CB 1.358 33.215 31.823 0.057 0.000 1.021 116 V HN 0.830 nan 8.190 nan 0.000 0.467 117 R N 3.846 124.390 120.500 0.073 0.000 2.216 117 R HA 0.489 4.833 4.340 0.007 0.000 0.332 117 R C -2.286 174.069 176.300 0.091 0.000 1.056 117 R CA -1.364 54.781 56.100 0.075 0.000 0.901 117 R CB 0.740 31.072 30.300 0.053 0.000 1.039 117 R HN 0.741 nan 8.270 nan 0.000 0.456 118 P HA -0.041 nan 4.420 nan 0.000 0.275 118 P C -1.029 176.333 177.300 0.104 0.000 1.270 118 P CA -0.487 62.688 63.100 0.125 0.000 0.791 118 P CB 0.500 32.306 31.700 0.177 0.000 1.089 119 E N -0.441 119.812 120.200 0.088 0.000 2.344 119 E HA 0.034 4.388 4.350 0.007 0.000 0.270 119 E C 1.329 177.980 176.600 0.084 0.000 1.021 119 E CA -0.171 56.271 56.400 0.070 0.000 0.887 119 E CB 0.297 30.029 29.700 0.054 0.000 0.997 119 E HN 0.237 nan 8.360 nan 0.000 0.429 120 V N 4.085 124.045 119.914 0.076 0.000 2.363 120 V HA -0.289 3.835 4.120 0.007 0.000 0.254 120 V C 1.992 178.136 176.094 0.082 0.000 1.074 120 V CA 2.541 64.894 62.300 0.087 0.000 1.069 120 V CB -0.538 31.316 31.823 0.052 0.000 0.659 120 V HN 0.764 nan 8.190 nan 0.000 0.455 121 D N -0.415 120.018 120.400 0.056 0.000 2.097 121 D HA -0.122 4.522 4.640 0.007 0.000 0.197 121 D C 2.195 178.519 176.300 0.039 0.000 0.984 121 D CA 1.691 55.715 54.000 0.040 0.000 0.826 121 D CB -0.450 40.365 40.800 0.026 0.000 0.973 121 D HN 0.452 nan 8.370 nan 0.000 0.460 122 V N -0.124 119.820 119.914 0.050 0.000 2.407 122 V HA -0.209 3.915 4.120 0.007 0.000 0.248 122 V C 2.144 178.266 176.094 0.047 0.000 1.055 122 V CA 1.662 63.993 62.300 0.052 0.000 1.049 122 V CB -0.481 31.384 31.823 0.069 0.000 0.662 122 V HN 0.109 nan 8.190 nan 0.000 0.455 123 M N -0.444 119.202 119.600 0.076 0.000 2.086 123 M HA -0.166 4.318 4.480 0.007 0.000 0.261 123 M C 2.223 178.430 176.300 -0.156 0.000 1.067 123 M CA 2.778 58.110 55.300 0.052 0.000 1.116 123 M CB -0.402 32.327 32.600 0.214 0.000 1.348 123 M HN 0.540 nan 8.290 nan 0.000 0.407 124 c N -0.236 118.369 118.600 0.008 0.000 2.450 124 c HA -0.068 4.506 4.570 0.007 0.000 0.279 124 c C 2.604 176.716 174.090 0.037 0.000 1.335 124 c CA 1.421 57.785 56.329 0.057 0.000 1.749 124 c CB -1.055 41.522 42.510 0.111 0.000 1.963 124 c HN 0.606 nan 8.230 nan 0.000 0.501 125 T N 0.710 115.259 114.554 -0.009 0.000 2.857 125 T HA -0.039 4.315 4.350 0.007 0.000 0.266 125 T C 2.069 176.753 174.700 -0.028 0.000 1.048 125 T CA 1.400 63.500 62.100 -0.000 0.000 1.139 125 T CB -0.233 68.633 68.868 -0.003 0.000 0.874 125 T HN 0.609 nan 8.240 nan 0.000 0.455 126 A N 1.034 123.779 122.820 -0.126 0.000 1.898 126 A HA 0.022 4.346 4.320 0.007 0.000 0.216 126 A C 1.968 179.343 177.584 -0.348 0.000 1.181 126 A CA 1.117 53.059 52.037 -0.159 0.000 0.620 126 A CB -0.885 18.075 19.000 -0.066 0.000 0.819 126 A HN 0.485 nan 8.150 nan 0.000 0.442 127 F N 0.433 119.846 119.950 -0.895 0.000 2.102 127 F HA -0.204 4.327 4.527 0.007 0.000 0.298 127 F C 2.171 177.809 175.800 -0.271 0.000 1.105 127 F CA 2.334 59.828 58.000 -0.842 0.000 1.239 127 F CB -0.765 37.681 39.000 -0.923 0.000 0.991 127 F HN 0.496 nan 8.300 nan 0.000 0.474 128 H N -0.225 118.642 119.070 -0.339 0.000 2.293 128 H HA -0.131 4.429 4.556 0.006 0.000 0.300 128 H C 1.867 177.049 175.328 -0.243 0.000 1.082 128 H CA 2.381 58.248 56.048 -0.302 0.000 1.308 128 H CB -0.547 29.156 29.762 -0.099 0.000 1.375 128 H HN 0.185 nan 8.280 nan 0.000 0.495 129 D N -0.501 119.849 120.400 -0.083 0.000 2.264 129 D HA -0.081 4.563 4.640 0.007 0.000 0.208 129 D C 0.129 176.351 176.300 -0.129 0.000 0.966 129 D CA 0.996 54.947 54.000 -0.082 0.000 0.864 129 D CB 0.079 40.889 40.800 0.016 0.000 0.933 129 D HN 0.291 nan 8.370 nan 0.000 0.499 130 N N -0.056 118.556 118.700 -0.146 0.000 2.884 130 N HA -0.042 4.702 4.740 0.007 0.000 0.211 130 N C 0.347 175.816 175.510 -0.069 0.000 1.442 130 N CA -0.054 52.944 53.050 -0.086 0.000 0.757 130 N CB 0.544 39.031 38.487 -0.000 0.000 1.461 130 N HN -0.069 nan 8.380 nan 0.000 0.557 131 E N 0.696 120.765 120.200 -0.217 0.000 2.086 131 E HA -0.241 4.113 4.350 0.007 0.000 0.205 131 E C 1.023 177.661 176.600 0.062 0.000 1.027 131 E CA 1.514 57.784 56.400 -0.217 0.000 0.830 131 E CB 0.322 29.802 29.700 -0.366 0.000 0.751 131 E HN 0.519 nan 8.360 nan 0.000 0.456 132 E N -0.788 119.437 120.200 0.043 0.000 2.031 132 E HA -0.175 4.179 4.350 0.007 0.000 0.193 132 E C 2.246 178.927 176.600 0.136 0.000 0.994 132 E CA 1.866 58.325 56.400 0.098 0.000 0.800 132 E CB -0.133 29.612 29.700 0.074 0.000 0.752 132 E HN 0.422 nan 8.360 nan 0.000 0.447 133 T N -1.085 113.547 114.554 0.131 0.000 2.962 133 T HA -0.155 4.199 4.350 0.007 0.000 0.270 133 T C 1.723 176.455 174.700 0.053 0.000 1.088 133 T CA 0.826 63.012 62.100 0.143 0.000 1.127 133 T CB -0.410 68.547 68.868 0.148 0.000 0.883 133 T HN 0.156 nan 8.240 nan 0.000 0.493 134 F N 1.437 121.382 119.950 -0.009 0.000 2.163 134 F HA 0.257 4.788 4.527 0.007 0.000 0.297 134 F C 1.887 177.726 175.800 0.066 0.000 1.094 134 F CA 0.837 58.841 58.000 0.006 0.000 1.290 134 F CB -0.263 38.757 39.000 0.033 0.000 1.017 134 F HN 0.101 nan 8.300 nan 0.000 0.483 135 L N -0.026 121.240 121.223 0.073 0.000 2.072 135 L HA -0.142 4.202 4.340 0.007 0.000 0.205 135 L C 2.463 179.319 176.870 -0.022 0.000 1.079 135 L CA 0.818 55.665 54.840 0.012 0.000 0.752 135 L CB -0.594 41.573 42.059 0.181 0.000 0.906 135 L HN -0.057 nan 8.230 nan 0.000 0.436 136 K N 0.368 120.792 120.400 0.039 0.000 2.097 136 K HA -0.175 4.149 4.320 0.007 0.000 0.205 136 K C 1.982 178.563 176.600 -0.031 0.000 1.050 136 K CA 1.119 57.476 56.287 0.117 0.000 0.938 136 K CB -0.253 32.427 32.500 0.300 0.000 0.718 136 K HN 0.218 nan 8.250 nan 0.000 0.442 137 K N -0.182 119.926 120.400 -0.487 0.000 2.097 137 K HA -0.133 4.191 4.320 0.007 0.000 0.205 137 K C 1.918 178.224 176.600 -0.491 0.000 1.050 137 K CA 1.163 56.831 56.287 -1.032 0.000 0.938 137 K CB -0.030 31.728 32.500 -1.236 0.000 0.718 137 K HN 0.044 nan 8.250 nan 0.000 0.442 138 Y N 0.324 120.393 120.300 -0.387 0.000 2.337 138 Y HA -0.135 4.419 4.550 0.007 0.000 0.293 138 Y C 1.887 177.650 175.900 -0.228 0.000 1.123 138 Y CA 0.500 58.398 58.100 -0.336 0.000 1.201 138 Y CB -0.060 38.103 38.460 -0.494 0.000 1.011 138 Y HN 0.053 nan 8.280 nan 0.000 0.545 139 L N -0.702 120.515 121.223 -0.010 0.000 2.083 139 L HA -0.228 4.116 4.340 0.007 0.000 0.209 139 L C 2.268 179.155 176.870 0.028 0.000 1.083 139 L CA 1.778 56.615 54.840 -0.004 0.000 0.752 139 L CB -1.150 40.936 42.059 0.045 0.000 0.899 139 L HN 0.377 nan 8.230 nan 0.000 0.433 140 Y N 0.225 120.503 120.300 -0.036 0.000 2.114 140 Y HA -0.194 4.360 4.550 0.007 0.000 0.284 140 Y C 2.322 178.201 175.900 -0.035 0.000 1.143 140 Y CA 1.973 60.077 58.100 0.006 0.000 1.135 140 Y CB -0.300 38.261 38.460 0.168 0.000 0.980 140 Y HN 0.242 nan 8.280 nan 0.000 0.499 141 E N 0.478 120.481 120.200 -0.327 0.000 2.118 141 E HA -0.183 4.171 4.350 0.007 0.000 0.195 141 E C 2.248 178.715 176.600 -0.223 0.000 0.992 141 E CA 1.365 57.538 56.400 -0.380 0.000 0.804 141 E CB -0.185 29.394 29.700 -0.201 0.000 0.741 141 E HN 0.529 nan 8.360 nan 0.000 0.458 142 I N 0.883 121.369 120.570 -0.141 0.000 2.193 142 I HA -0.136 4.038 4.170 0.007 0.000 0.240 142 I C 2.492 178.571 176.117 -0.062 0.000 1.084 142 I CA 0.920 62.162 61.300 -0.097 0.000 1.365 142 I CB -1.544 36.332 38.000 -0.206 0.000 1.064 142 I HN -0.063 nan 8.210 nan 0.000 0.410 143 A N 2.085 124.832 122.820 -0.121 0.000 1.908 143 A HA -0.235 4.089 4.320 0.007 0.000 0.218 143 A C 2.404 179.923 177.584 -0.109 0.000 1.181 143 A CA 2.068 54.048 52.037 -0.094 0.000 0.627 143 A CB -0.724 18.228 19.000 -0.079 0.000 0.818 143 A HN 0.556 nan 8.150 nan 0.000 0.445 144 R N -0.749 119.628 120.500 -0.205 0.000 2.148 144 R HA -0.022 4.322 4.340 0.007 0.000 0.227 144 R C 1.819 178.020 176.300 -0.164 0.000 1.103 144 R CA 1.357 57.335 56.100 -0.204 0.000 0.983 144 R CB -0.357 29.745 30.300 -0.329 0.000 0.874 144 R HN 0.449 nan 8.270 nan 0.000 0.451 145 R N -0.076 120.333 120.500 -0.152 0.000 2.275 145 R HA 0.049 4.393 4.340 0.007 0.000 0.199 145 R C -0.081 175.935 176.300 -0.473 0.000 0.989 145 R CA 0.629 56.585 56.100 -0.239 0.000 1.016 145 R CB 0.173 30.361 30.300 -0.187 0.000 0.918 145 R HN 0.405 nan 8.270 nan 0.000 0.473 146 H N -1.282 117.745 119.070 -0.072 0.000 2.439 146 H HA 0.202 4.762 4.556 0.006 0.000 0.230 146 H C -2.133 173.178 175.328 -0.028 0.000 1.420 146 H CA -1.756 54.296 56.048 0.006 0.000 1.305 146 H CB 1.121 30.923 29.762 0.066 0.000 1.667 146 H HN -0.066 nan 8.280 nan 0.000 0.515 147 P HA -0.208 nan 4.420 nan 0.000 0.221 147 P C 0.247 177.262 177.300 -0.475 0.000 1.141 147 P CA 1.433 64.307 63.100 -0.377 0.000 0.794 147 P CB 0.078 31.428 31.700 -0.584 0.000 0.764 148 Y N -3.963 116.384 120.300 0.078 0.000 2.444 148 Y HA 0.278 4.832 4.550 0.007 0.000 0.249 148 Y C 0.836 176.823 175.900 0.145 0.000 1.134 148 Y CA -1.052 57.093 58.100 0.074 0.000 1.261 148 Y CB -0.570 37.915 38.460 0.042 0.000 1.143 148 Y HN -0.166 nan 8.280 nan 0.000 0.523 149 F N 1.119 121.175 119.950 0.177 0.000 2.578 149 F HA 0.032 4.563 4.527 0.007 0.000 0.381 149 F C 0.342 176.249 175.800 0.178 0.000 1.069 149 F CA -0.997 57.106 58.000 0.171 0.000 1.231 149 F CB 0.022 39.087 39.000 0.109 0.000 1.086 149 F HN 0.029 nan 8.300 nan 0.000 0.564 150 Y N 6.689 127.036 120.300 0.079 0.000 2.745 150 Y HA 0.184 4.738 4.550 0.007 0.000 0.335 150 Y C 1.063 177.117 175.900 0.256 0.000 1.212 150 Y CA -0.171 57.998 58.100 0.116 0.000 1.535 150 Y CB 0.393 38.865 38.460 0.019 0.000 1.220 150 Y HN 0.781 nan 8.280 nan 0.000 0.531 151 A N 7.686 130.376 122.820 -0.216 0.000 1.869 151 A HA -0.213 4.110 4.320 0.007 0.000 0.218 151 A C -0.271 177.179 177.584 -0.224 0.000 1.203 151 A CA 2.077 53.993 52.037 -0.202 0.000 0.638 151 A CB -1.923 16.923 19.000 -0.257 0.000 0.831 151 A HN 0.730 nan 8.150 nan 0.000 0.450 152 P HA -0.179 nan 4.420 nan 0.000 0.217 152 P C 1.393 178.695 177.300 0.003 0.000 1.148 152 P CA 1.637 64.594 63.100 -0.237 0.000 0.828 152 P CB -0.029 31.492 31.700 -0.298 0.000 0.783 153 E N -1.009 119.265 120.200 0.124 0.000 2.152 153 E HA -0.135 4.219 4.350 0.007 0.000 0.192 153 E C 1.762 178.696 176.600 0.557 0.000 0.983 153 E CA 0.475 57.079 56.400 0.341 0.000 0.818 153 E CB -0.382 29.631 29.700 0.523 0.000 0.758 153 E HN 0.043 nan 8.360 nan 0.000 0.467 154 L N 0.993 122.494 121.223 0.463 0.000 2.093 154 L HA -0.130 4.213 4.340 0.007 0.000 0.208 154 L C 2.171 179.179 176.870 0.229 0.000 1.085 154 L CA 1.099 56.094 54.840 0.258 0.000 0.755 154 L CB -0.515 41.557 42.059 0.023 0.000 0.904 154 L HN 0.219 nan 8.230 nan 0.000 0.435 155 L N -1.404 119.918 121.223 0.164 0.000 2.093 155 L HA -0.187 4.157 4.340 0.007 0.000 0.208 155 L C 2.294 179.253 176.870 0.149 0.000 1.085 155 L CA 1.659 56.570 54.840 0.119 0.000 0.755 155 L CB -0.996 41.100 42.059 0.062 0.000 0.904 155 L HN 0.355 nan 8.230 nan 0.000 0.435 156 F N -0.807 119.139 119.950 -0.007 0.000 2.134 156 F HA -0.241 4.290 4.527 0.007 0.000 0.299 156 F C 1.961 177.711 175.800 -0.084 0.000 1.097 156 F CA 1.508 59.429 58.000 -0.131 0.000 1.264 156 F CB -0.426 38.340 39.000 -0.390 0.000 1.001 156 F HN 0.084 nan 8.300 nan 0.000 0.479 157 F N 0.539 120.541 119.950 0.087 0.000 2.146 157 F HA -0.064 4.467 4.527 0.006 0.000 0.298 157 F C 2.612 178.484 175.800 0.120 0.000 1.096 157 F CA 1.294 59.329 58.000 0.058 0.000 1.275 157 F CB -1.332 37.776 39.000 0.180 0.000 1.008 157 F HN 0.073 nan 8.300 nan 0.000 0.480 158 A N 0.357 123.354 122.820 0.295 0.000 1.873 158 A HA -0.275 4.049 4.320 0.007 0.000 0.218 158 A C 2.207 179.905 177.584 0.189 0.000 1.193 158 A CA 2.112 54.287 52.037 0.230 0.000 0.629 158 A CB -0.769 18.310 19.000 0.131 0.000 0.826 158 A HN 0.373 nan 8.150 nan 0.000 0.447 159 K N -0.735 119.699 120.400 0.056 0.000 2.211 159 K HA -0.141 4.183 4.320 0.007 0.000 0.204 159 K C 2.185 178.758 176.600 -0.045 0.000 1.047 159 K CA 1.463 57.752 56.287 0.003 0.000 0.935 159 K CB -0.175 32.284 32.500 -0.069 0.000 0.728 159 K HN 0.450 nan 8.250 nan 0.000 0.452 160 R N -0.556 119.863 120.500 -0.135 0.000 2.119 160 R HA -0.053 4.291 4.340 0.007 0.000 0.222 160 R C 1.942 178.169 176.300 -0.122 0.000 1.088 160 R CA 1.016 56.997 56.100 -0.199 0.000 0.984 160 R CB -0.207 29.888 30.300 -0.341 0.000 0.884 160 R HN 0.195 nan 8.270 nan 0.000 0.447 161 Y N 1.057 121.360 120.300 0.004 0.000 2.200 161 Y HA -0.276 4.278 4.550 0.006 0.000 0.290 161 Y C 2.803 178.804 175.900 0.168 0.000 1.137 161 Y CA 1.533 59.674 58.100 0.069 0.000 1.163 161 Y CB -0.298 38.249 38.460 0.145 0.000 0.988 161 Y HN -0.145 nan 8.280 nan 0.000 0.518 162 K N 0.306 120.907 120.400 0.335 0.000 2.032 162 K HA -0.190 4.134 4.320 0.007 0.000 0.209 162 K C 2.266 178.986 176.600 0.200 0.000 1.048 162 K CA 1.142 57.626 56.287 0.329 0.000 0.927 162 K CB -1.009 31.657 32.500 0.276 0.000 0.712 162 K HN 0.425 nan 8.250 nan 0.000 0.441 163 A N 0.481 123.354 122.820 0.088 0.000 1.902 163 A HA 0.081 4.405 4.320 0.007 0.000 0.217 163 A C 2.561 180.114 177.584 -0.053 0.000 1.181 163 A CA 2.139 54.189 52.037 0.021 0.000 0.623 163 A CB -1.214 17.767 19.000 -0.032 0.000 0.818 163 A HN 0.738 nan 8.150 nan 0.000 0.443 164 A N -1.435 121.296 122.820 -0.149 0.000 1.972 164 A HA -0.008 4.316 4.320 0.007 0.000 0.219 164 A C 1.911 179.250 177.584 -0.409 0.000 1.169 164 A CA 1.552 53.408 52.037 -0.302 0.000 0.635 164 A CB -0.679 18.053 19.000 -0.447 0.000 0.810 164 A HN 0.468 nan 8.150 nan 0.000 0.446 165 F N 0.103 119.871 119.950 -0.303 0.000 2.234 165 F HA -0.050 4.481 4.527 0.007 0.000 0.296 165 F C 2.724 178.299 175.800 -0.375 0.000 1.089 165 F CA 1.669 59.310 58.000 -0.598 0.000 1.343 165 F CB -0.872 37.232 39.000 -1.494 0.000 1.040 165 F HN 0.112 nan 8.300 nan 0.000 0.498 166 T N -0.616 113.956 114.554 0.029 0.000 2.652 166 T HA -0.247 4.107 4.350 0.007 0.000 0.267 166 T C 1.941 176.704 174.700 0.105 0.000 1.039 166 T CA 1.703 63.935 62.100 0.219 0.000 1.153 166 T CB -0.336 68.664 68.868 0.221 0.000 0.863 166 T HN 0.299 nan 8.240 nan 0.000 0.428 167 E N -0.380 119.834 120.200 0.023 0.000 2.110 167 E HA -0.131 4.223 4.350 0.007 0.000 0.193 167 E C 2.065 178.653 176.600 -0.020 0.000 0.988 167 E CA 1.061 57.459 56.400 -0.003 0.000 0.804 167 E CB -0.057 29.621 29.700 -0.036 0.000 0.745 167 E HN 0.481 nan 8.360 nan 0.000 0.458 168 c N -0.436 118.127 118.600 -0.061 0.000 2.527 168 c HA 0.078 4.652 4.570 0.007 0.000 0.280 168 c C 2.508 176.593 174.090 -0.009 0.000 1.353 168 c CA -0.265 56.024 56.329 -0.066 0.000 1.749 168 c CB -0.535 41.883 42.510 -0.153 0.000 2.088 168 c HN 0.576 nan 8.230 nan 0.000 0.508 169 c N 0.895 119.521 118.600 0.043 0.000 2.511 169 c HA -0.027 4.547 4.570 0.007 0.000 0.277 169 c C 2.391 176.538 174.090 0.094 0.000 1.451 169 c CA 0.815 57.207 56.329 0.105 0.000 1.735 169 c CB -1.912 40.736 42.510 0.231 0.000 1.704 169 c HN 0.657 nan 8.230 nan 0.000 0.571 170 Q N 0.316 120.161 119.800 0.074 0.000 2.392 170 Q HA 0.242 4.586 4.340 0.007 0.000 0.219 170 Q C 1.169 177.187 176.000 0.030 0.000 0.895 170 Q CA 0.026 55.865 55.803 0.060 0.000 0.929 170 Q CB 0.159 28.937 28.738 0.066 0.000 1.077 170 Q HN 0.621 nan 8.270 nan 0.000 0.532 171 A N 0.727 123.558 122.820 0.018 0.000 2.448 171 A HA 0.336 4.660 4.320 0.007 0.000 0.239 171 A C 1.196 178.782 177.584 0.003 0.000 1.080 171 A CA 0.636 52.676 52.037 0.004 0.000 0.779 171 A CB 0.248 19.243 19.000 -0.009 0.000 1.026 171 A HN 0.346 nan 8.150 nan 0.000 0.499 172 A N 0.594 123.414 122.820 -0.000 0.000 1.845 172 A HA -0.046 4.278 4.320 0.007 0.000 0.215 172 A C 1.118 178.700 177.584 -0.003 0.000 1.195 172 A CA 1.995 54.031 52.037 -0.001 0.000 0.616 172 A CB -0.378 18.621 19.000 -0.002 0.000 0.832 172 A HN 0.783 nan 8.150 nan 0.000 0.443 173 D N -0.773 119.624 120.400 -0.006 0.000 2.518 173 D HA 0.331 4.975 4.640 0.007 0.000 0.230 173 D C 0.862 177.155 176.300 -0.012 0.000 1.138 173 D CA -0.197 53.799 54.000 -0.008 0.000 0.964 173 D CB 0.281 41.075 40.800 -0.009 0.000 1.011 173 D HN 0.289 nan 8.370 nan 0.000 0.517 174 K N 1.230 121.625 120.400 -0.008 0.000 2.059 174 K HA -0.246 4.078 4.320 0.007 0.000 0.212 174 K C 1.897 178.482 176.600 -0.025 0.000 1.050 174 K CA 1.796 58.076 56.287 -0.012 0.000 0.927 174 K CB -0.028 32.475 32.500 0.006 0.000 0.714 174 K HN 0.377 nan 8.250 nan 0.000 0.447 175 A N 1.425 124.236 122.820 -0.015 0.000 1.858 175 A HA -0.141 4.183 4.320 0.007 0.000 0.216 175 A C 2.417 179.984 177.584 -0.029 0.000 1.190 175 A CA 1.967 53.993 52.037 -0.018 0.000 0.617 175 A CB -0.942 18.055 19.000 -0.005 0.000 0.827 175 A HN 0.367 nan 8.150 nan 0.000 0.443 176 A N -1.417 121.389 122.820 -0.024 0.000 2.024 176 A HA -0.196 4.128 4.320 0.007 0.000 0.220 176 A C 2.346 179.907 177.584 -0.038 0.000 1.164 176 A CA 1.865 53.886 52.037 -0.026 0.000 0.643 176 A CB -1.181 17.808 19.000 -0.019 0.000 0.806 176 A HN 0.811 nan 8.150 nan 0.000 0.451 177 c N -1.833 116.738 118.600 -0.049 0.000 2.602 177 c HA 0.205 4.779 4.570 0.007 0.000 0.282 177 c C 2.357 176.384 174.090 -0.106 0.000 1.313 177 c CA 0.940 57.228 56.329 -0.068 0.000 1.699 177 c CB -1.151 41.321 42.510 -0.063 0.000 2.124 177 c HN 0.534 nan 8.230 nan 0.000 0.509 178 L N 0.933 122.080 121.223 -0.126 0.000 1.988 178 L HA 0.028 4.372 4.340 0.007 0.000 0.207 178 L C 2.316 179.089 176.870 -0.161 0.000 1.071 178 L CA 1.849 56.570 54.840 -0.198 0.000 0.744 178 L CB -1.117 40.817 42.059 -0.209 0.000 0.893 178 L HN 0.241 nan 8.230 nan 0.000 0.433 179 L N 0.504 121.671 121.223 -0.094 0.000 1.991 179 L HA -0.223 4.121 4.340 0.007 0.000 0.221 179 L C -0.363 176.470 176.870 -0.062 0.000 1.079 179 L CA 2.792 57.596 54.840 -0.060 0.000 0.778 179 L CB -2.439 39.602 42.059 -0.030 0.000 0.893 179 L HN 0.288 nan 8.230 nan 0.000 0.437 180 P HA -0.182 nan 4.420 nan 0.000 0.220 180 P C 1.324 178.581 177.300 -0.073 0.000 1.148 180 P CA 1.536 64.606 63.100 -0.050 0.000 0.803 180 P CB 0.007 31.683 31.700 -0.039 0.000 0.782 181 K N -0.509 119.822 120.400 -0.116 0.000 2.155 181 K HA 0.039 4.363 4.320 0.007 0.000 0.203 181 K C 2.339 178.825 176.600 -0.190 0.000 1.052 181 K CA 0.700 56.892 56.287 -0.157 0.000 0.948 181 K CB -0.420 31.955 32.500 -0.209 0.000 0.728 181 K HN 0.150 nan 8.250 nan 0.000 0.448 182 L N 1.068 122.191 121.223 -0.166 0.000 2.044 182 L HA -0.183 4.161 4.340 0.007 0.000 0.205 182 L C 1.795 178.641 176.870 -0.039 0.000 1.075 182 L CA 1.117 55.892 54.840 -0.109 0.000 0.747 182 L CB -0.340 41.690 42.059 -0.049 0.000 0.903 182 L HN 0.205 nan 8.230 nan 0.000 0.435 183 D N -0.240 120.142 120.400 -0.030 0.000 2.144 183 D HA -0.226 4.418 4.640 0.007 0.000 0.199 183 D C 1.981 178.281 176.300 0.000 0.000 0.984 183 D CA 1.131 55.130 54.000 -0.002 0.000 0.834 183 D CB 0.045 40.845 40.800 -0.001 0.000 0.955 183 D HN 0.395 nan 8.370 nan 0.000 0.465 184 E N 0.090 120.278 120.200 -0.020 0.000 2.072 184 E HA -0.147 4.207 4.350 0.007 0.000 0.191 184 E C 2.008 178.620 176.600 0.021 0.000 0.985 184 E CA 0.322 56.722 56.400 -0.000 0.000 0.801 184 E CB 0.146 29.836 29.700 -0.017 0.000 0.750 184 E HN 0.036 nan 8.360 nan 0.000 0.452 185 L N 1.313 122.510 121.223 -0.044 0.000 2.046 185 L HA -0.144 4.200 4.340 0.007 0.000 0.208 185 L C 2.519 179.431 176.870 0.070 0.000 1.077 185 L CA 1.544 56.363 54.840 -0.035 0.000 0.747 185 L CB -1.146 40.657 42.059 -0.428 0.000 0.896 185 L HN 0.151 nan 8.230 nan 0.000 0.432 186 R N -0.267 120.270 120.500 0.062 0.000 2.073 186 R HA -0.171 4.173 4.340 0.007 0.000 0.234 186 R C 1.867 178.190 176.300 0.039 0.000 1.134 186 R CA 1.820 57.947 56.100 0.046 0.000 0.952 186 R CB -0.108 30.218 30.300 0.044 0.000 0.850 186 R HN 0.357 nan 8.270 nan 0.000 0.433 187 D N 0.236 120.673 120.400 0.061 0.000 2.117 187 D HA -0.183 4.460 4.640 0.007 0.000 0.197 187 D C 1.729 178.112 176.300 0.139 0.000 0.987 187 D CA 1.223 55.272 54.000 0.081 0.000 0.829 187 D CB -0.217 40.622 40.800 0.065 0.000 0.961 187 D HN 0.411 nan 8.370 nan 0.000 0.460 188 E N 0.160 120.472 120.200 0.187 0.000 2.160 188 E HA -0.124 4.230 4.350 0.007 0.000 0.195 188 E C 2.091 178.891 176.600 0.333 0.000 0.991 188 E CA 1.154 57.743 56.400 0.314 0.000 0.810 188 E CB -0.145 29.796 29.700 0.402 0.000 0.742 188 E HN 0.274 nan 8.360 nan 0.000 0.466 189 G N 0.805 109.659 108.800 0.090 0.000 2.394 189 G HA2 -0.234 3.730 3.960 0.007 0.000 0.214 189 G HA3 -0.234 3.730 3.960 0.007 0.000 0.214 189 G C 1.386 176.306 174.900 0.034 0.000 1.176 189 G CA 0.533 45.509 45.100 -0.207 0.000 0.786 189 G HN 0.125 nan 8.290 nan 0.000 0.533 190 K N 0.697 121.125 120.400 0.047 0.000 2.063 190 K HA -0.030 4.293 4.320 0.007 0.000 0.208 190 K C 2.911 179.592 176.600 0.135 0.000 1.048 190 K CA 1.101 57.440 56.287 0.086 0.000 0.928 190 K CB -0.236 32.309 32.500 0.075 0.000 0.713 190 K HN 0.274 nan 8.250 nan 0.000 0.442 191 A N 1.019 123.938 122.820 0.166 0.000 1.873 191 A HA -0.169 4.155 4.320 0.007 0.000 0.215 191 A C 2.281 179.966 177.584 0.168 0.000 1.186 191 A CA 1.991 54.137 52.037 0.182 0.000 0.616 191 A CB -0.654 18.493 19.000 0.244 0.000 0.823 191 A HN 0.284 nan 8.150 nan 0.000 0.442 192 S N -0.747 115.091 115.700 0.231 0.000 2.356 192 S HA -0.153 4.321 4.470 0.007 0.000 0.223 192 S C 2.354 176.984 174.600 0.050 0.000 1.032 192 S CA 1.947 60.264 58.200 0.196 0.000 1.005 192 S CB -0.505 62.945 63.200 0.416 0.000 0.867 192 S HN 0.627 nan 8.310 nan 0.000 0.449 193 S N 0.977 116.763 115.700 0.143 0.000 2.351 193 S HA -0.092 4.382 4.470 0.007 0.000 0.220 193 S C 2.164 176.805 174.600 0.069 0.000 1.035 193 S CA 1.714 59.981 58.200 0.111 0.000 1.031 193 S CB -1.019 62.358 63.200 0.296 0.000 0.928 193 S HN 0.727 nan 8.310 nan 0.000 0.433 194 A N 1.309 124.186 122.820 0.094 0.000 1.948 194 A HA -0.163 4.161 4.320 0.007 0.000 0.220 194 A C 2.131 179.732 177.584 0.028 0.000 1.177 194 A CA 1.888 53.964 52.037 0.066 0.000 0.636 194 A CB -0.614 18.430 19.000 0.074 0.000 0.815 194 A HN 0.683 nan 8.150 nan 0.000 0.449 195 K N -0.713 119.700 120.400 0.022 0.000 2.155 195 K HA -0.123 4.201 4.320 0.007 0.000 0.203 195 K C 2.279 178.854 176.600 -0.042 0.000 1.052 195 K CA 1.350 57.630 56.287 -0.012 0.000 0.948 195 K CB -0.168 32.332 32.500 0.000 0.000 0.728 195 K HN 0.637 nan 8.250 nan 0.000 0.448 196 Q N 0.466 120.237 119.800 -0.048 0.000 2.046 196 Q HA -0.094 4.250 4.340 0.007 0.000 0.200 196 Q C 2.100 178.066 176.000 -0.057 0.000 0.975 196 Q CA 1.242 57.006 55.803 -0.064 0.000 0.836 196 Q CB -0.033 28.633 28.738 -0.122 0.000 0.896 196 Q HN 0.243 nan 8.270 nan 0.000 0.428 197 R N 0.107 120.585 120.500 -0.037 0.000 2.148 197 R HA -0.094 4.250 4.340 0.007 0.000 0.227 197 R C 2.191 178.460 176.300 -0.051 0.000 1.103 197 R CA 0.563 56.639 56.100 -0.041 0.000 0.983 197 R CB -0.162 30.137 30.300 -0.002 0.000 0.874 197 R HN 0.148 nan 8.270 nan 0.000 0.451 198 L N 1.477 122.673 121.223 -0.044 0.000 2.005 198 L HA -0.135 4.209 4.340 0.007 0.000 0.207 198 L C 1.790 178.611 176.870 -0.082 0.000 1.072 198 L CA 1.834 56.646 54.840 -0.046 0.000 0.744 198 L CB -0.167 41.867 42.059 -0.041 0.000 0.895 198 L HN -0.066 nan 8.230 nan 0.000 0.433 199 K N -1.322 119.001 120.400 -0.129 0.000 2.097 199 K HA -0.174 4.150 4.320 0.007 0.000 0.206 199 K C 2.117 178.621 176.600 -0.159 0.000 1.049 199 K CA 1.581 57.756 56.287 -0.187 0.000 0.933 199 K CB -0.509 31.836 32.500 -0.258 0.000 0.717 199 K HN 0.440 nan 8.250 nan 0.000 0.442 200 c N 0.570 119.089 118.600 -0.134 0.000 2.446 200 c HA -0.062 4.512 4.570 0.007 0.000 0.277 200 c C 2.930 176.943 174.090 -0.127 0.000 1.275 200 c CA 0.740 56.984 56.329 -0.143 0.000 1.727 200 c CB -0.878 41.551 42.510 -0.135 0.000 2.010 200 c HN 0.543 nan 8.230 nan 0.000 0.486 201 A N 0.602 123.362 122.820 -0.101 0.000 1.865 201 A HA -0.243 4.081 4.320 0.007 0.000 0.217 201 A C 2.351 179.876 177.584 -0.099 0.000 1.191 201 A CA 2.560 54.539 52.037 -0.096 0.000 0.623 201 A CB -1.277 17.686 19.000 -0.061 0.000 0.826 201 A HN 0.584 nan 8.150 nan 0.000 0.444 202 S N -0.557 115.135 115.700 -0.013 0.000 2.374 202 S HA -0.177 4.297 4.470 0.007 0.000 0.227 202 S C 1.978 176.631 174.600 0.088 0.000 1.037 202 S CA 1.634 59.921 58.200 0.146 0.000 1.024 202 S CB -0.543 62.778 63.200 0.202 0.000 0.861 202 S HN 0.502 nan 8.310 nan 0.000 0.456 203 L N 0.603 121.814 121.223 -0.020 0.000 2.191 203 L HA -0.083 4.261 4.340 0.007 0.000 0.212 203 L C 3.170 179.989 176.870 -0.086 0.000 1.103 203 L CA 1.733 56.532 54.840 -0.068 0.000 0.769 203 L CB -0.809 41.102 42.059 -0.248 0.000 0.908 203 L HN 0.680 nan 8.230 nan 0.000 0.438 204 Q N -0.133 119.592 119.800 -0.125 0.000 2.061 204 Q HA -0.144 4.200 4.340 0.007 0.000 0.195 204 Q C 2.399 178.285 176.000 -0.191 0.000 0.967 204 Q CA 1.909 57.626 55.803 -0.143 0.000 0.829 204 Q CB -0.836 27.814 28.738 -0.146 0.000 0.900 204 Q HN 0.567 nan 8.270 nan 0.000 0.450 205 K N 0.147 120.352 120.400 -0.325 0.000 1.973 205 K HA 0.047 4.371 4.320 0.007 0.000 0.210 205 K C 1.795 178.085 176.600 -0.517 0.000 1.045 205 K CA 1.602 57.558 56.287 -0.552 0.000 0.937 205 K CB -1.015 30.885 32.500 -0.999 0.000 0.721 205 K HN 0.638 nan 8.250 nan 0.000 0.438 206 F N 0.418 120.367 119.950 -0.003 0.000 2.811 206 F HA 0.386 4.918 4.527 0.009 0.000 0.301 206 F C 1.534 177.349 175.800 0.026 0.000 1.151 206 F CA 0.035 58.043 58.000 0.014 0.000 1.412 206 F CB -0.643 38.371 39.000 0.022 0.000 1.113 206 F HN 0.597 nan 8.300 nan 0.000 0.579 207 G N 0.607 109.473 108.800 0.110 0.000 2.829 207 G HA2 -0.295 3.669 3.960 0.007 0.000 0.628 207 G HA3 -0.295 3.669 3.960 0.007 0.000 0.628 207 G C 0.545 175.529 174.900 0.140 0.000 1.412 207 G CA 0.038 45.192 45.100 0.091 0.000 0.864 207 G HN 0.298 nan 8.290 nan 0.000 0.544 208 E N -0.202 120.063 120.200 0.107 0.000 2.049 208 E HA -0.238 4.116 4.350 0.007 0.000 0.198 208 E C 2.561 179.279 176.600 0.198 0.000 1.007 208 E CA 1.681 58.170 56.400 0.149 0.000 0.809 208 E CB -0.104 29.653 29.700 0.095 0.000 0.749 208 E HN 0.562 nan 8.360 nan 0.000 0.450 209 R N 0.029 120.617 120.500 0.146 0.000 2.136 209 R HA -0.272 4.072 4.340 0.007 0.000 0.242 209 R C 2.255 178.642 176.300 0.145 0.000 1.131 209 R CA 1.942 58.123 56.100 0.135 0.000 0.937 209 R CB -0.509 29.857 30.300 0.110 0.000 0.863 209 R HN 0.249 nan 8.270 nan 0.000 0.435 210 A N 0.109 123.024 122.820 0.157 0.000 1.908 210 A HA -0.213 4.111 4.320 0.007 0.000 0.218 210 A C 2.052 179.726 177.584 0.150 0.000 1.181 210 A CA 1.537 53.657 52.037 0.137 0.000 0.627 210 A CB -0.847 18.243 19.000 0.150 0.000 0.818 210 A HN 0.576 nan 8.150 nan 0.000 0.445 211 F N 0.570 120.575 119.950 0.091 0.000 2.102 211 F HA -0.133 4.398 4.527 0.007 0.000 0.298 211 F C 2.173 178.065 175.800 0.153 0.000 1.105 211 F CA 2.148 60.194 58.000 0.077 0.000 1.239 211 F CB -0.283 38.722 39.000 0.008 0.000 0.991 211 F HN 0.121 nan 8.300 nan 0.000 0.474 212 K N 0.114 120.588 120.400 0.122 0.000 2.074 212 K HA -0.231 4.093 4.320 0.007 0.000 0.209 212 K C 2.296 178.892 176.600 -0.008 0.000 1.048 212 K CA 1.423 57.748 56.287 0.064 0.000 0.926 212 K CB -0.628 31.952 32.500 0.133 0.000 0.713 212 K HN 0.384 nan 8.250 nan 0.000 0.444 213 A N 0.655 123.494 122.820 0.032 0.000 1.865 213 A HA -0.225 4.099 4.320 0.007 0.000 0.217 213 A C 1.935 179.496 177.584 -0.038 0.000 1.191 213 A CA 1.629 53.680 52.037 0.024 0.000 0.623 213 A CB -1.123 17.906 19.000 0.048 0.000 0.826 213 A HN 0.648 nan 8.150 nan 0.000 0.444 214 W N 0.635 121.792 121.300 -0.238 0.000 2.321 214 W HA -0.204 4.459 4.660 0.004 0.000 0.306 214 W C 2.404 178.730 176.519 -0.321 0.000 1.217 214 W CA 2.573 59.744 57.345 -0.290 0.000 1.257 214 W CB -0.119 29.115 29.460 -0.376 0.000 1.145 214 W HN 0.376 nan 8.180 nan 0.000 0.509 215 A N -0.430 122.283 122.820 -0.179 0.000 1.898 215 A HA -0.147 4.177 4.320 0.007 0.000 0.216 215 A C 2.002 179.443 177.584 -0.238 0.000 1.181 215 A CA 2.109 54.008 52.037 -0.229 0.000 0.620 215 A CB -1.228 17.700 19.000 -0.120 0.000 0.819 215 A HN 0.173 nan 8.150 nan 0.000 0.442 216 V N 0.120 119.950 119.914 -0.140 0.000 2.282 216 V HA -0.316 3.808 4.120 0.007 0.000 0.249 216 V C 3.072 179.088 176.094 -0.129 0.000 1.057 216 V CA 2.146 64.405 62.300 -0.067 0.000 1.032 216 V CB -1.373 30.470 31.823 0.034 0.000 0.645 216 V HN 0.628 nan 8.190 nan 0.000 0.447 217 A N 0.058 122.738 122.820 -0.233 0.000 1.865 217 A HA -0.288 4.036 4.320 0.007 0.000 0.217 217 A C 2.317 179.658 177.584 -0.405 0.000 1.191 217 A CA 2.392 54.248 52.037 -0.303 0.000 0.623 217 A CB -0.589 18.191 19.000 -0.368 0.000 0.826 217 A HN 0.447 nan 8.150 nan 0.000 0.444 218 R N -0.175 119.939 120.500 -0.643 0.000 2.073 218 R HA 0.023 4.367 4.340 0.007 0.000 0.234 218 R C 1.964 177.991 176.300 -0.454 0.000 1.134 218 R CA 1.551 57.252 56.100 -0.665 0.000 0.952 218 R CB -0.786 28.867 30.300 -1.079 0.000 0.850 218 R HN 0.534 nan 8.270 nan 0.000 0.433 219 L N -0.267 120.744 121.223 -0.353 0.000 2.201 219 L HA -0.113 4.231 4.340 0.007 0.000 0.212 219 L C 2.133 178.873 176.870 -0.218 0.000 1.105 219 L CA 1.273 55.938 54.840 -0.292 0.000 0.775 219 L CB -0.260 41.763 42.059 -0.061 0.000 0.913 219 L HN 0.205 nan 8.230 nan 0.000 0.440 220 S N -0.729 114.900 115.700 -0.118 0.000 2.387 220 S HA -0.158 4.316 4.470 0.007 0.000 0.226 220 S C 1.897 176.416 174.600 -0.135 0.000 1.026 220 S CA 0.934 59.123 58.200 -0.017 0.000 0.972 220 S CB -0.061 63.159 63.200 0.032 0.000 0.814 220 S HN 0.466 nan 8.310 nan 0.000 0.477 221 Q N 0.518 120.188 119.800 -0.218 0.000 2.119 221 Q HA -0.007 4.337 4.340 0.007 0.000 0.201 221 Q C 2.352 178.212 176.000 -0.234 0.000 0.972 221 Q CA 0.881 56.553 55.803 -0.219 0.000 0.847 221 Q CB -0.107 28.493 28.738 -0.231 0.000 0.903 221 Q HN 0.365 nan 8.270 nan 0.000 0.433 222 R N -0.238 120.043 120.500 -0.366 0.000 2.093 222 R HA -0.020 4.324 4.340 0.007 0.000 0.224 222 R C -0.027 176.033 176.300 -0.400 0.000 1.101 222 R CA 0.710 56.502 56.100 -0.513 0.000 0.979 222 R CB 0.435 30.203 30.300 -0.887 0.000 0.877 222 R HN 0.097 nan 8.270 nan 0.000 0.441 223 F N 0.860 120.792 119.950 -0.030 0.000 2.530 223 F HA 0.350 4.882 4.527 0.007 0.000 0.318 223 F C -1.735 174.075 175.800 0.018 0.000 1.356 223 F CA -3.124 54.873 58.000 -0.005 0.000 1.135 223 F CB 1.321 40.327 39.000 0.011 0.000 1.315 223 F HN -0.043 nan 8.300 nan 0.000 0.549 224 P HA -0.195 nan 4.420 nan 0.000 0.219 224 P C 0.771 178.116 177.300 0.075 0.000 1.146 224 P CA 1.440 64.559 63.100 0.030 0.000 0.808 224 P CB 0.317 31.980 31.700 -0.062 0.000 0.779 225 K N -0.607 119.852 120.400 0.098 0.000 2.444 225 K HA 0.272 4.596 4.320 0.007 0.000 0.193 225 K C 1.058 177.725 176.600 0.112 0.000 1.024 225 K CA -0.236 56.100 56.287 0.082 0.000 1.077 225 K CB 0.167 32.695 32.500 0.047 0.000 0.833 225 K HN 0.107 nan 8.250 nan 0.000 0.517 226 A N 1.513 124.434 122.820 0.169 0.000 2.279 226 A HA 0.226 4.550 4.320 0.007 0.000 0.303 226 A C -0.381 177.314 177.584 0.185 0.000 1.108 226 A CA -0.496 51.622 52.037 0.135 0.000 0.830 226 A CB 0.478 19.549 19.000 0.119 0.000 1.106 226 A HN 0.157 nan 8.150 nan 0.000 0.493 227 E N -0.094 120.156 120.200 0.084 0.000 2.343 227 E HA 0.208 4.562 4.350 0.007 0.000 0.269 227 E C 0.179 176.685 176.600 -0.157 0.000 1.047 227 E CA -0.285 56.146 56.400 0.051 0.000 0.874 227 E CB 0.613 30.340 29.700 0.045 0.000 1.033 227 E HN 0.606 nan 8.360 nan 0.000 0.409 228 F N 2.946 122.562 119.950 -0.557 0.000 2.184 228 F HA -0.277 4.254 4.527 0.006 0.000 0.301 228 F C 1.780 177.388 175.800 -0.320 0.000 1.076 228 F CA 1.946 59.462 58.000 -0.806 0.000 1.295 228 F CB -0.042 38.537 39.000 -0.702 0.000 1.026 228 F HN 0.549 nan 8.300 nan 0.000 0.494 229 A N -0.517 122.179 122.820 -0.207 0.000 1.930 229 A HA -0.150 4.174 4.320 0.007 0.000 0.217 229 A C 2.052 179.515 177.584 -0.202 0.000 1.175 229 A CA 1.615 53.542 52.037 -0.184 0.000 0.627 229 A CB -0.724 18.267 19.000 -0.016 0.000 0.815 229 A HN 0.430 nan 8.150 nan 0.000 0.443 230 E N -0.229 119.884 120.200 -0.144 0.000 2.072 230 E HA -0.080 4.274 4.350 0.007 0.000 0.190 230 E C 1.872 178.407 176.600 -0.108 0.000 0.982 230 E CA 1.260 57.617 56.400 -0.071 0.000 0.803 230 E CB -0.294 29.390 29.700 -0.027 0.000 0.755 230 E HN 0.234 nan 8.360 nan 0.000 0.453 231 V N 0.176 119.971 119.914 -0.198 0.000 2.407 231 V HA -0.241 3.883 4.120 0.007 0.000 0.248 231 V C 2.259 178.193 176.094 -0.267 0.000 1.055 231 V CA 1.872 64.066 62.300 -0.176 0.000 1.049 231 V CB -0.511 31.189 31.823 -0.204 0.000 0.662 231 V HN 0.225 nan 8.190 nan 0.000 0.455 232 S N -0.766 114.646 115.700 -0.481 0.000 2.356 232 S HA -0.188 4.286 4.470 0.007 0.000 0.223 232 S C 2.117 176.608 174.600 -0.182 0.000 1.032 232 S CA 1.253 59.217 58.200 -0.393 0.000 1.005 232 S CB -0.298 62.608 63.200 -0.491 0.000 0.867 232 S HN 0.409 nan 8.310 nan 0.000 0.449 233 K N 1.602 121.908 120.400 -0.155 0.000 2.000 233 K HA -0.101 4.223 4.320 0.007 0.000 0.218 233 K C 2.023 178.572 176.600 -0.084 0.000 1.053 233 K CA 1.565 57.785 56.287 -0.111 0.000 0.946 233 K CB -0.992 31.454 32.500 -0.089 0.000 0.723 233 K HN 0.356 nan 8.250 nan 0.000 0.446 234 L N 0.627 121.830 121.223 -0.033 0.000 2.081 234 L HA -0.206 4.138 4.340 0.007 0.000 0.212 234 L C 2.512 179.414 176.870 0.053 0.000 1.080 234 L CA 1.003 55.864 54.840 0.035 0.000 0.754 234 L CB -0.548 41.580 42.059 0.115 0.000 0.893 234 L HN -0.041 nan 8.230 nan 0.000 0.433 235 V N -0.719 119.209 119.914 0.023 0.000 2.515 235 V HA -0.224 3.900 4.120 0.007 0.000 0.250 235 V C 2.495 178.643 176.094 0.089 0.000 1.058 235 V CA 2.121 64.456 62.300 0.059 0.000 1.064 235 V CB -0.553 31.273 31.823 0.006 0.000 0.675 235 V HN 0.483 nan 8.190 nan 0.000 0.461 236 T N -0.328 114.245 114.554 0.033 0.000 2.770 236 T HA -0.149 4.205 4.350 0.007 0.000 0.263 236 T C 1.640 176.366 174.700 0.043 0.000 1.039 236 T CA 1.574 63.696 62.100 0.037 0.000 1.142 236 T CB -0.325 68.537 68.868 -0.009 0.000 0.868 236 T HN 0.449 nan 8.240 nan 0.000 0.435 237 D N 1.016 121.421 120.400 0.008 0.000 2.144 237 D HA -0.020 4.624 4.640 0.007 0.000 0.199 237 D C 1.971 178.306 176.300 0.059 0.000 0.984 237 D CA 0.450 54.449 54.000 -0.001 0.000 0.834 237 D CB -0.420 40.343 40.800 -0.061 0.000 0.955 237 D HN 0.150 nan 8.370 nan 0.000 0.465 238 L N 0.688 121.988 121.223 0.129 0.000 2.093 238 L HA -0.098 4.246 4.340 0.007 0.000 0.208 238 L C 2.129 179.192 176.870 0.322 0.000 1.085 238 L CA 1.571 56.551 54.840 0.233 0.000 0.755 238 L CB -0.755 41.493 42.059 0.316 0.000 0.904 238 L HN -0.064 nan 8.230 nan 0.000 0.435 239 T N -0.628 114.109 114.554 0.305 0.000 2.746 239 T HA -0.222 4.131 4.350 0.007 0.000 0.267 239 T C 1.890 176.623 174.700 0.056 0.000 1.039 239 T CA 1.659 63.907 62.100 0.247 0.000 1.142 239 T CB -0.141 68.882 68.868 0.258 0.000 0.866 239 T HN 0.320 nan 8.240 nan 0.000 0.444 240 K N 0.806 121.233 120.400 0.045 0.000 2.032 240 K HA -0.108 4.216 4.320 0.007 0.000 0.209 240 K C 2.229 178.811 176.600 -0.030 0.000 1.048 240 K CA 1.193 57.478 56.287 -0.003 0.000 0.927 240 K CB -0.412 32.085 32.500 -0.005 0.000 0.712 240 K HN 0.123 nan 8.250 nan 0.000 0.441 241 V N 1.564 121.458 119.914 -0.033 0.000 2.231 241 V HA -0.321 3.803 4.120 0.007 0.000 0.248 241 V C 2.428 178.407 176.094 -0.193 0.000 1.054 241 V CA 2.141 64.373 62.300 -0.115 0.000 1.015 241 V CB -0.769 30.964 31.823 -0.149 0.000 0.638 241 V HN 0.475 nan 8.190 nan 0.000 0.444 242 H N -0.129 118.855 119.070 -0.142 0.000 2.352 242 H HA -0.139 4.421 4.556 0.008 0.000 0.299 242 H C 2.487 177.666 175.328 -0.248 0.000 1.097 242 H CA 2.087 57.986 56.048 -0.248 0.000 1.311 242 H CB -0.507 28.974 29.762 -0.468 0.000 1.377 242 H HN 0.445 nan 8.280 nan 0.000 0.504 243 T N 0.980 115.459 114.554 -0.126 0.000 2.607 243 T HA -0.166 4.188 4.350 0.007 0.000 0.267 243 T C 1.925 176.592 174.700 -0.055 0.000 1.049 243 T CA 1.681 63.710 62.100 -0.119 0.000 1.162 243 T CB -0.170 68.637 68.868 -0.101 0.000 0.863 243 T HN 0.507 nan 8.240 nan 0.000 0.424 244 E N -0.017 120.164 120.200 -0.031 0.000 2.047 244 E HA -0.106 4.248 4.350 0.007 0.000 0.191 244 E C 2.573 179.191 176.600 0.030 0.000 0.987 244 E CA 1.192 57.611 56.400 0.033 0.000 0.799 244 E CB -0.307 29.407 29.700 0.023 0.000 0.752 244 E HN 0.448 nan 8.360 nan 0.000 0.449 245 c N 0.498 119.065 118.600 -0.055 0.000 2.411 245 c HA -0.155 4.419 4.570 0.007 0.000 0.279 245 c C 2.861 176.938 174.090 -0.021 0.000 1.288 245 c CA 0.230 56.516 56.329 -0.073 0.000 1.764 245 c CB -0.875 41.496 42.510 -0.231 0.000 1.974 245 c HN 0.603 nan 8.230 nan 0.000 0.498 246 c N -1.364 117.217 118.600 -0.032 0.000 2.450 246 c HA -0.103 4.471 4.570 0.007 0.000 0.279 246 c C 2.557 176.650 174.090 0.005 0.000 1.335 246 c CA 0.791 57.093 56.329 -0.046 0.000 1.749 246 c CB -1.807 40.650 42.510 -0.088 0.000 1.963 246 c HN 0.706 nan 8.230 nan 0.000 0.501 247 H N 0.176 119.210 119.070 -0.059 0.000 2.489 247 H HA -0.016 4.544 4.556 0.007 0.000 0.295 247 H C 1.901 177.256 175.328 0.046 0.000 1.082 247 H CA 1.001 57.034 56.048 -0.025 0.000 1.295 247 H CB -0.065 29.695 29.762 -0.003 0.000 1.380 247 H HN 0.567 nan 8.280 nan 0.000 0.548 248 G N 0.757 109.604 108.800 0.079 0.000 2.195 248 G HA2 -0.246 3.718 3.960 0.007 0.000 0.224 248 G HA3 -0.246 3.718 3.960 0.007 0.000 0.224 248 G C 0.004 174.956 174.900 0.086 0.000 0.990 248 G CA 0.225 45.412 45.100 0.145 0.000 0.639 248 G HN 0.523 nan 8.290 nan 0.000 0.514 249 D N 1.428 121.851 120.400 0.039 0.000 2.383 249 D HA 0.296 4.940 4.640 0.007 0.000 0.245 249 D C 1.797 178.159 176.300 0.103 0.000 1.263 249 D CA -0.339 53.717 54.000 0.093 0.000 0.936 249 D CB 0.654 41.530 40.800 0.126 0.000 1.053 249 D HN 0.136 nan 8.370 nan 0.000 0.507 250 L N 5.660 126.926 121.223 0.071 0.000 2.010 250 L HA -0.264 4.080 4.340 0.007 0.000 0.219 250 L C 1.944 178.837 176.870 0.039 0.000 1.077 250 L CA 1.890 56.761 54.840 0.052 0.000 0.773 250 L CB -0.704 41.312 42.059 -0.072 0.000 0.892 250 L HN 0.535 nan 8.230 nan 0.000 0.436 251 L N -0.884 120.304 121.223 -0.057 0.000 1.970 251 L HA -0.211 4.132 4.340 0.007 0.000 0.212 251 L C 2.701 179.616 176.870 0.075 0.000 1.071 251 L CA 1.573 56.384 54.840 -0.048 0.000 0.751 251 L CB -0.968 40.962 42.059 -0.214 0.000 0.889 251 L HN 0.315 nan 8.230 nan 0.000 0.432 252 E N -0.281 120.005 120.200 0.143 0.000 2.070 252 E HA -0.291 4.063 4.350 0.007 0.000 0.197 252 E C 2.272 178.920 176.600 0.081 0.000 1.004 252 E CA 1.708 58.184 56.400 0.128 0.000 0.805 252 E CB -0.980 28.802 29.700 0.136 0.000 0.744 252 E HN 0.571 nan 8.360 nan 0.000 0.451 253 c N 1.095 119.744 118.600 0.082 0.000 2.401 253 c HA -0.107 4.467 4.570 0.007 0.000 0.276 253 c C 2.875 176.999 174.090 0.056 0.000 1.233 253 c CA 1.467 57.818 56.329 0.037 0.000 1.753 253 c CB -1.027 41.517 42.510 0.056 0.000 2.029 253 c HN 0.462 nan 8.230 nan 0.000 0.478 254 A N 0.109 123.022 122.820 0.155 0.000 1.873 254 A HA -0.112 4.212 4.320 0.007 0.000 0.215 254 A C 1.952 179.598 177.584 0.103 0.000 1.186 254 A CA 2.074 54.223 52.037 0.187 0.000 0.616 254 A CB -0.776 18.319 19.000 0.160 0.000 0.823 254 A HN 0.622 nan 8.150 nan 0.000 0.442 255 D N 0.375 120.821 120.400 0.077 0.000 2.104 255 D HA -0.135 4.508 4.640 0.007 0.000 0.194 255 D C 1.417 177.742 176.300 0.041 0.000 0.994 255 D CA 1.470 55.505 54.000 0.059 0.000 0.830 255 D CB -0.426 40.407 40.800 0.056 0.000 0.959 255 D HN 0.363 nan 8.370 nan 0.000 0.452 256 D N 0.347 120.763 120.400 0.026 0.000 2.123 256 D HA -0.127 4.517 4.640 0.007 0.000 0.196 256 D C 2.189 178.487 176.300 -0.003 0.000 0.992 256 D CA 0.765 54.766 54.000 0.002 0.000 0.833 256 D CB -0.167 40.622 40.800 -0.019 0.000 0.954 256 D HN 0.226 nan 8.370 nan 0.000 0.455 257 R N 0.545 121.038 120.500 -0.011 0.000 2.092 257 R HA -0.002 4.342 4.340 0.007 0.000 0.231 257 R C 2.304 178.626 176.300 0.037 0.000 1.119 257 R CA 1.079 57.172 56.100 -0.012 0.000 0.970 257 R CB -0.227 30.048 30.300 -0.043 0.000 0.864 257 R HN 0.105 nan 8.270 nan 0.000 0.440 258 A N 1.753 124.608 122.820 0.057 0.000 1.858 258 A HA -0.211 4.112 4.320 0.007 0.000 0.216 258 A C 1.645 179.267 177.584 0.064 0.000 1.190 258 A CA 1.786 53.864 52.037 0.068 0.000 0.617 258 A CB -0.509 18.535 19.000 0.075 0.000 0.827 258 A HN 0.181 nan 8.150 nan 0.000 0.443 259 D N -0.332 120.101 120.400 0.055 0.000 2.103 259 D HA -0.182 4.462 4.640 0.007 0.000 0.190 259 D C 1.872 178.226 176.300 0.089 0.000 0.997 259 D CA 1.660 55.696 54.000 0.060 0.000 0.833 259 D CB -0.591 40.229 40.800 0.033 0.000 0.961 259 D HN 0.290 nan 8.370 nan 0.000 0.447 260 L N 1.101 122.365 121.223 0.068 0.000 2.043 260 L HA -0.166 4.178 4.340 0.007 0.000 0.212 260 L C 2.237 179.187 176.870 0.134 0.000 1.075 260 L CA 1.930 56.828 54.840 0.097 0.000 0.752 260 L CB -0.903 41.190 42.059 0.058 0.000 0.891 260 L HN -0.007 nan 8.230 nan 0.000 0.432 261 A N -0.017 122.858 122.820 0.091 0.000 1.898 261 A HA -0.241 4.083 4.320 0.007 0.000 0.216 261 A C 2.236 179.856 177.584 0.061 0.000 1.181 261 A CA 1.937 54.018 52.037 0.074 0.000 0.620 261 A CB -0.572 18.466 19.000 0.063 0.000 0.819 261 A HN 0.665 nan 8.150 nan 0.000 0.442 262 K N -1.920 118.523 120.400 0.072 0.000 2.155 262 K HA -0.149 4.175 4.320 0.007 0.000 0.203 262 K C 1.990 178.613 176.600 0.038 0.000 1.052 262 K CA 1.497 57.813 56.287 0.049 0.000 0.948 262 K CB -0.592 31.942 32.500 0.057 0.000 0.728 262 K HN 0.418 nan 8.250 nan 0.000 0.448 263 Y N 2.122 122.415 120.300 -0.011 0.000 2.145 263 Y HA -0.117 4.436 4.550 0.006 0.000 0.286 263 Y C 1.904 177.778 175.900 -0.042 0.000 1.145 263 Y CA 1.335 59.422 58.100 -0.022 0.000 1.148 263 Y CB -0.130 38.318 38.460 -0.019 0.000 0.981 263 Y HN -0.054 nan 8.280 nan 0.000 0.507 264 I N -0.895 119.641 120.570 -0.056 0.000 2.208 264 I HA -0.393 3.781 4.170 0.007 0.000 0.245 264 I C 2.394 178.376 176.117 -0.224 0.000 1.097 264 I CA 1.360 62.560 61.300 -0.167 0.000 1.363 264 I CB -0.555 37.417 38.000 -0.046 0.000 1.051 264 I HN 0.363 nan 8.210 nan 0.000 0.413 265 c N 0.558 119.075 118.600 -0.139 0.000 2.435 265 c HA -0.099 4.475 4.570 0.007 0.000 0.279 265 c C 2.562 176.565 174.090 -0.146 0.000 1.321 265 c CA 0.605 56.864 56.329 -0.116 0.000 1.752 265 c CB -1.035 41.441 42.510 -0.057 0.000 1.959 265 c HN 0.492 nan 8.230 nan 0.000 0.500 266 E N 0.741 120.827 120.200 -0.190 0.000 2.152 266 E HA -0.110 4.244 4.350 0.007 0.000 0.192 266 E C 1.035 177.497 176.600 -0.231 0.000 0.983 266 E CA 0.895 57.184 56.400 -0.186 0.000 0.818 266 E CB -0.301 29.290 29.700 -0.182 0.000 0.758 266 E HN 0.761 nan 8.360 nan 0.000 0.467 267 N N 0.931 119.419 118.700 -0.352 0.000 2.235 267 N HA -0.013 4.731 4.740 0.007 0.000 0.209 267 N C 1.476 176.837 175.510 -0.249 0.000 1.122 267 N CA -0.207 52.652 53.050 -0.318 0.000 0.845 267 N CB 0.342 38.548 38.487 -0.469 0.000 1.004 267 N HN 0.135 nan 8.380 nan 0.000 0.499 268 Q N 1.803 121.471 119.800 -0.219 0.000 2.118 268 Q HA -0.323 4.021 4.340 0.007 0.000 0.211 268 Q C 1.745 177.656 176.000 -0.148 0.000 0.998 268 Q CA 2.680 58.373 55.803 -0.183 0.000 0.872 268 Q CB -0.351 28.309 28.738 -0.131 0.000 0.925 268 Q HN 0.536 nan 8.270 nan 0.000 0.414 269 D N -0.144 120.187 120.400 -0.114 0.000 2.182 269 D HA -0.133 4.511 4.640 0.007 0.000 0.201 269 D C 1.623 177.875 176.300 -0.080 0.000 0.986 269 D CA 1.527 55.478 54.000 -0.082 0.000 0.847 269 D CB -0.535 40.227 40.800 -0.064 0.000 0.942 269 D HN 0.536 nan 8.370 nan 0.000 0.467 270 S N -1.825 113.814 115.700 -0.101 0.000 2.573 270 S HA 0.521 4.995 4.470 0.007 0.000 0.244 270 S C 0.951 175.486 174.600 -0.108 0.000 0.984 270 S CA -0.367 57.784 58.200 -0.082 0.000 1.001 270 S CB -0.028 63.131 63.200 -0.069 0.000 0.788 270 S HN 0.623 nan 8.310 nan 0.000 0.456 271 I N -0.647 119.827 120.570 -0.161 0.000 4.079 271 I HA 0.325 4.499 4.170 0.007 0.000 0.276 271 I C 0.428 176.407 176.117 -0.231 0.000 1.146 271 I CA -0.052 61.086 61.300 -0.269 0.000 1.324 271 I CB 0.840 38.544 38.000 -0.493 0.000 1.638 271 I HN 0.360 nan 8.210 nan 0.000 0.436 272 S N -0.219 115.367 115.700 -0.191 0.000 2.543 272 S HA 0.257 4.731 4.470 0.007 0.000 0.274 272 S C 0.135 174.715 174.600 -0.032 0.000 1.149 272 S CA -0.030 58.147 58.200 -0.039 0.000 0.866 272 S CB 1.516 64.758 63.200 0.070 0.000 1.111 272 S HN 0.227 nan 8.310 nan 0.000 0.457 273 S N 2.306 118.009 115.700 0.006 0.000 2.605 273 S HA 0.291 4.765 4.470 0.007 0.000 0.217 273 S C 0.514 175.119 174.600 0.007 0.000 0.958 273 S CA -0.256 57.942 58.200 -0.003 0.000 0.919 273 S CB -0.255 62.945 63.200 -0.001 0.000 0.780 273 S HN 0.625 nan 8.310 nan 0.000 0.507 274 K N 1.015 121.432 120.400 0.028 0.000 2.514 274 K HA 0.381 4.705 4.320 0.007 0.000 0.207 274 K C 0.220 176.841 176.600 0.034 0.000 1.035 274 K CA -0.028 56.278 56.287 0.033 0.000 1.113 274 K CB 0.226 32.754 32.500 0.047 0.000 0.846 274 K HN 0.396 nan 8.250 nan 0.000 0.491 275 L N 0.021 121.252 121.223 0.013 0.000 2.640 275 L HA 0.085 4.429 4.340 0.007 0.000 0.230 275 L C 2.422 179.289 176.870 -0.006 0.000 1.123 275 L CA 0.018 54.860 54.840 0.004 0.000 0.900 275 L CB -0.376 41.662 42.059 -0.036 0.000 1.146 275 L HN 0.075 nan 8.230 nan 0.000 0.484 276 K N 1.269 121.666 120.400 -0.006 0.000 1.991 276 K HA -0.244 4.080 4.320 0.007 0.000 0.212 276 K C 2.122 178.723 176.600 0.002 0.000 1.049 276 K CA 2.198 58.481 56.287 -0.007 0.000 0.932 276 K CB -1.243 31.254 32.500 -0.006 0.000 0.717 276 K HN 0.511 nan 8.250 nan 0.000 0.441 277 E N -0.174 120.031 120.200 0.009 0.000 2.023 277 E HA -0.213 4.141 4.350 0.007 0.000 0.196 277 E C 2.336 178.949 176.600 0.021 0.000 1.003 277 E CA 1.237 57.647 56.400 0.016 0.000 0.809 277 E CB -1.793 27.919 29.700 0.020 0.000 0.755 277 E HN 0.692 nan 8.360 nan 0.000 0.449 278 c N 0.380 118.994 118.600 0.023 0.000 2.396 278 c HA -0.169 4.405 4.570 0.007 0.000 0.277 278 c C 2.952 177.057 174.090 0.024 0.000 1.231 278 c CA 0.966 57.312 56.329 0.027 0.000 1.775 278 c CB -1.700 40.827 42.510 0.027 0.000 2.036 278 c HN 0.734 nan 8.230 nan 0.000 0.484 279 c N -0.179 118.428 118.600 0.011 0.000 2.539 279 c HA 0.001 4.575 4.570 0.007 0.000 0.268 279 c C 2.462 176.557 174.090 0.009 0.000 1.395 279 c CA 0.584 56.916 56.329 0.004 0.000 1.757 279 c CB -1.232 41.269 42.510 -0.015 0.000 1.851 279 c HN 0.706 nan 8.230 nan 0.000 0.545 280 E N -0.059 120.149 120.200 0.013 0.000 2.472 280 E HA 0.078 4.432 4.350 0.007 0.000 0.196 280 E C 0.641 177.255 176.600 0.023 0.000 1.033 280 E CA -0.001 56.408 56.400 0.014 0.000 0.886 280 E CB 0.166 29.873 29.700 0.011 0.000 0.944 280 E HN 0.679 nan 8.360 nan 0.000 0.492 281 K N 1.122 121.541 120.400 0.031 0.000 2.149 281 K HA 0.214 4.537 4.320 0.007 0.000 0.245 281 K C -2.480 174.145 176.600 0.042 0.000 1.024 281 K CA -1.794 54.518 56.287 0.042 0.000 0.899 281 K CB 0.196 32.730 32.500 0.057 0.000 1.038 281 K HN 0.039 nan 8.250 nan 0.000 0.496 282 P HA -0.103 nan 4.420 nan 0.000 0.269 282 P C 0.747 178.076 177.300 0.049 0.000 1.209 282 P CA -0.183 62.942 63.100 0.041 0.000 0.776 282 P CB 0.452 32.177 31.700 0.042 0.000 0.876 283 L N 2.873 124.121 121.223 0.042 0.000 2.123 283 L HA -0.210 4.134 4.340 0.007 0.000 0.217 283 L C 1.437 178.346 176.870 0.065 0.000 1.081 283 L CA 2.287 57.157 54.840 0.051 0.000 0.772 283 L CB -1.026 41.059 42.059 0.043 0.000 0.890 283 L HN 0.374 nan 8.230 nan 0.000 0.437 284 L N -0.430 120.831 121.223 0.062 0.000 2.418 284 L HA -0.049 4.295 4.340 0.007 0.000 0.218 284 L C 2.212 179.137 176.870 0.092 0.000 1.125 284 L CA 1.251 56.134 54.840 0.072 0.000 0.835 284 L CB -0.229 41.864 42.059 0.056 0.000 0.953 284 L HN 0.306 nan 8.230 nan 0.000 0.454 285 E N -1.795 118.461 120.200 0.094 0.000 2.447 285 E HA -0.021 4.333 4.350 0.007 0.000 0.204 285 E C 1.656 178.321 176.600 0.107 0.000 0.977 285 E CA -0.175 56.294 56.400 0.115 0.000 0.950 285 E CB 0.338 30.114 29.700 0.127 0.000 0.975 285 E HN 0.323 nan 8.360 nan 0.000 0.496 286 K N 1.024 121.474 120.400 0.084 0.000 2.015 286 K HA -0.208 4.116 4.320 0.007 0.000 0.220 286 K C 2.299 178.941 176.600 0.070 0.000 1.055 286 K CA 1.763 58.090 56.287 0.067 0.000 0.951 286 K CB -0.241 32.294 32.500 0.059 0.000 0.725 286 K HN -0.073 nan 8.250 nan 0.000 0.449 287 S N -0.171 115.580 115.700 0.084 0.000 2.389 287 S HA -0.269 4.205 4.470 0.007 0.000 0.229 287 S C 1.861 176.500 174.600 0.065 0.000 1.048 287 S CA 1.967 60.214 58.200 0.079 0.000 1.117 287 S CB -0.534 62.727 63.200 0.102 0.000 1.020 287 S HN 0.412 nan 8.310 nan 0.000 0.430 288 H N -0.122 118.934 119.070 -0.024 0.000 2.353 288 H HA -0.139 4.421 4.556 0.007 0.000 0.298 288 H C 2.512 177.773 175.328 -0.111 0.000 1.103 288 H CA 1.940 57.921 56.048 -0.112 0.000 1.293 288 H CB -0.850 28.771 29.762 -0.236 0.000 1.372 288 H HN 0.460 nan 8.280 nan 0.000 0.501 289 c N -0.263 118.301 118.600 -0.060 0.000 2.442 289 c HA -0.108 4.466 4.570 0.007 0.000 0.279 289 c C 2.866 176.918 174.090 -0.064 0.000 1.237 289 c CA 1.125 57.410 56.329 -0.073 0.000 1.722 289 c CB -1.336 41.185 42.510 0.019 0.000 2.056 289 c HN 0.690 nan 8.230 nan 0.000 0.469 290 I N 1.564 122.133 120.570 -0.002 0.000 2.151 290 I HA -0.257 3.916 4.170 0.007 0.000 0.243 290 I C 2.823 178.964 176.117 0.041 0.000 1.080 290 I CA 1.945 63.275 61.300 0.049 0.000 1.339 290 I CB -0.722 37.324 38.000 0.076 0.000 1.039 290 I HN 0.457 nan 8.210 nan 0.000 0.409 291 A N -0.034 122.779 122.820 -0.012 0.000 2.024 291 A HA -0.183 4.141 4.320 0.007 0.000 0.220 291 A C 2.015 179.552 177.584 -0.079 0.000 1.164 291 A CA 1.609 53.631 52.037 -0.024 0.000 0.643 291 A CB -0.311 18.663 19.000 -0.045 0.000 0.806 291 A HN 0.422 nan 8.150 nan 0.000 0.451 292 E N -0.581 119.529 120.200 -0.150 0.000 2.481 292 E HA 0.154 4.508 4.350 0.007 0.000 0.198 292 E C 0.243 176.789 176.600 -0.090 0.000 1.027 292 E CA -0.251 56.058 56.400 -0.152 0.000 0.900 292 E CB -0.062 29.481 29.700 -0.261 0.000 0.993 292 E HN 0.286 nan 8.360 nan 0.000 0.482 293 V N 2.266 122.151 119.914 -0.048 0.000 2.814 293 V HA -0.125 3.999 4.120 0.007 0.000 0.307 293 V C 0.535 176.611 176.094 -0.030 0.000 1.089 293 V CA 0.507 62.802 62.300 -0.009 0.000 1.212 293 V CB 1.003 32.868 31.823 0.069 0.000 0.912 293 V HN 0.136 nan 8.190 nan 0.000 0.497 294 E N 5.467 125.657 120.200 -0.016 0.000 2.404 294 E HA 0.080 4.434 4.350 0.007 0.000 0.261 294 E C 0.151 176.731 176.600 -0.034 0.000 1.074 294 E CA -0.501 55.882 56.400 -0.029 0.000 0.917 294 E CB 0.634 30.324 29.700 -0.016 0.000 0.965 294 E HN 0.878 nan 8.360 nan 0.000 0.433 295 N N 2.989 121.653 118.700 -0.061 0.000 2.492 295 N HA 0.053 4.797 4.740 0.007 0.000 0.262 295 N C -0.257 175.238 175.510 -0.026 0.000 1.202 295 N CA 0.002 53.006 53.050 -0.075 0.000 0.926 295 N CB 0.537 38.965 38.487 -0.098 0.000 1.078 295 N HN 0.584 nan 8.380 nan 0.000 0.454 296 D N 0.776 121.183 120.400 0.011 0.000 2.371 296 D HA 0.031 4.675 4.640 0.007 0.000 0.242 296 D C -0.417 175.880 176.300 -0.005 0.000 1.218 296 D CA 0.010 54.030 54.000 0.033 0.000 0.945 296 D CB 0.690 41.546 40.800 0.093 0.000 1.137 296 D HN 0.259 nan 8.370 nan 0.000 0.464 297 E N 0.190 120.386 120.200 -0.007 0.000 2.316 297 E HA 0.188 4.542 4.350 0.007 0.000 0.275 297 E C -0.257 176.323 176.600 -0.033 0.000 1.029 297 E CA -0.051 56.333 56.400 -0.027 0.000 0.871 297 E CB 0.608 30.295 29.700 -0.023 0.000 1.022 297 E HN 0.341 nan 8.360 nan 0.000 0.418 298 M N 1.906 121.470 119.600 -0.061 0.000 2.235 298 M HA 0.519 5.003 4.480 0.007 0.000 0.351 298 M C -2.091 174.167 176.300 -0.069 0.000 1.178 298 M CA -1.978 53.276 55.300 -0.077 0.000 1.143 298 M CB 0.470 32.993 32.600 -0.128 0.000 1.530 298 M HN 0.080 nan 8.290 nan 0.000 0.461 299 P HA 0.057 nan 4.420 nan 0.000 0.264 299 P C -0.090 177.171 177.300 -0.064 0.000 1.183 299 P CA 0.182 63.253 63.100 -0.049 0.000 0.763 299 P CB 0.775 32.453 31.700 -0.038 0.000 0.807 300 A N 2.669 125.458 122.820 -0.050 0.000 1.898 300 A HA 0.041 4.365 4.320 0.007 0.000 0.214 300 A C 1.589 179.144 177.584 -0.050 0.000 1.183 300 A CA 1.551 53.557 52.037 -0.053 0.000 0.622 300 A CB -1.381 17.595 19.000 -0.040 0.000 0.824 300 A HN 0.571 nan 8.150 nan 0.000 0.444 301 D N 0.212 120.589 120.400 -0.037 0.000 2.934 301 D HA 0.521 5.165 4.640 0.007 0.000 0.237 301 D C -0.153 176.126 176.300 -0.034 0.000 1.158 301 D CA -0.095 53.887 54.000 -0.031 0.000 0.971 301 D CB -0.703 40.086 40.800 -0.019 0.000 1.123 301 D HN 0.367 nan 8.370 nan 0.000 0.467 302 L N 0.688 121.879 121.223 -0.053 0.000 2.272 302 L HA 0.405 4.749 4.340 0.007 0.000 0.289 302 L C -1.697 175.140 176.870 -0.055 0.000 1.032 302 L CA -1.636 53.167 54.840 -0.062 0.000 0.810 302 L CB 1.689 43.686 42.059 -0.103 0.000 1.205 302 L HN 0.233 nan 8.230 nan 0.000 0.422 303 P HA -0.040 nan 4.420 nan 0.000 0.272 303 P C -0.454 176.833 177.300 -0.022 0.000 1.239 303 P CA -0.092 62.998 63.100 -0.016 0.000 0.807 303 P CB 0.474 32.175 31.700 0.003 0.000 0.951 304 S N -0.151 115.550 115.700 0.002 0.000 2.616 304 S HA 0.191 4.665 4.470 0.007 0.000 0.277 304 S C 1.214 175.857 174.600 0.072 0.000 1.234 304 S CA -0.779 57.432 58.200 0.018 0.000 1.028 304 S CB 0.015 63.232 63.200 0.029 0.000 0.988 304 S HN 0.227 nan 8.310 nan 0.000 0.522 305 L N 3.721 125.019 121.223 0.124 0.000 1.994 305 L HA -0.011 4.333 4.340 0.007 0.000 0.208 305 L C 2.957 180.028 176.870 0.335 0.000 1.071 305 L CA 2.387 57.402 54.840 0.292 0.000 0.745 305 L CB -2.357 39.883 42.059 0.302 0.000 0.892 305 L HN 0.928 nan 8.230 nan 0.000 0.431 306 A N -0.079 122.803 122.820 0.104 0.000 2.117 306 A HA -0.273 4.051 4.320 0.007 0.000 0.224 306 A C 2.490 180.046 177.584 -0.047 0.000 1.167 306 A CA 1.961 53.863 52.037 -0.225 0.000 0.664 306 A CB -0.636 18.137 19.000 -0.378 0.000 0.811 306 A HN 0.474 nan 8.150 nan 0.000 0.470 307 A N -0.169 122.664 122.820 0.020 0.000 1.834 307 A HA -0.216 4.108 4.320 0.007 0.000 0.216 307 A C 1.852 179.421 177.584 -0.026 0.000 1.203 307 A CA 1.734 53.774 52.037 0.005 0.000 0.621 307 A CB -0.637 18.370 19.000 0.012 0.000 0.841 307 A HN 0.522 nan 8.150 nan 0.000 0.446 308 D N -1.986 118.362 120.400 -0.087 0.000 2.347 308 D HA 0.047 4.691 4.640 0.007 0.000 0.215 308 D C 0.806 176.788 176.300 -0.531 0.000 0.976 308 D CA 0.858 54.658 54.000 -0.334 0.000 0.884 308 D CB 0.043 40.518 40.800 -0.542 0.000 0.915 308 D HN 0.500 nan 8.370 nan 0.000 0.526 309 F N -0.780 119.245 119.950 0.125 0.000 2.746 309 F HA 0.084 4.615 4.527 0.007 0.000 0.313 309 F C 1.823 177.680 175.800 0.095 0.000 1.095 309 F CA -0.062 58.055 58.000 0.195 0.000 1.224 309 F CB 0.504 39.640 39.000 0.227 0.000 1.060 309 F HN -0.214 nan 8.300 nan 0.000 0.584 310 V N -1.271 118.687 119.914 0.074 0.000 2.950 310 V HA 0.065 4.189 4.120 0.007 0.000 0.231 310 V C 1.679 177.772 176.094 -0.002 0.000 1.205 310 V CA 0.624 62.915 62.300 -0.015 0.000 1.239 310 V CB -0.112 31.521 31.823 -0.316 0.000 1.050 310 V HN -0.036 nan 8.190 nan 0.000 0.498 311 E N 0.978 121.162 120.200 -0.026 0.000 1.987 311 E HA -0.039 4.315 4.350 0.007 0.000 0.198 311 E C 1.101 177.758 176.600 0.096 0.000 0.968 311 E CA 1.026 57.452 56.400 0.044 0.000 0.867 311 E CB -0.405 29.351 29.700 0.093 0.000 0.819 311 E HN 0.357 nan 8.360 nan 0.000 0.516 312 S N 0.037 115.791 115.700 0.090 0.000 4.234 312 S HA -0.238 4.236 4.470 0.007 0.000 0.500 312 S C 0.805 175.489 174.600 0.141 0.000 1.062 312 S CA 0.731 58.984 58.200 0.088 0.000 0.852 312 S CB 0.152 63.371 63.200 0.031 0.000 1.045 312 S HN 0.181 nan 8.310 nan 0.000 0.429 313 K N 2.687 123.170 120.400 0.138 0.000 2.505 313 K HA 0.083 4.407 4.320 0.007 0.000 0.192 313 K C 0.576 177.232 176.600 0.093 0.000 1.025 313 K CA 0.920 57.299 56.287 0.153 0.000 1.086 313 K CB -0.315 32.257 32.500 0.119 0.000 0.840 313 K HN 0.754 nan 8.250 nan 0.000 0.514 314 D N -0.310 120.119 120.400 0.049 0.000 2.349 314 D HA 0.090 4.734 4.640 0.007 0.000 0.214 314 D C 1.615 177.871 176.300 -0.075 0.000 1.063 314 D CA 0.201 54.197 54.000 -0.006 0.000 0.847 314 D CB 0.381 41.173 40.800 -0.013 0.000 0.933 314 D HN 0.091 nan 8.370 nan 0.000 0.513 315 V N 0.756 120.639 119.914 -0.052 0.000 2.218 315 V HA -0.385 3.739 4.120 0.007 0.000 0.251 315 V C 2.556 178.445 176.094 -0.343 0.000 1.057 315 V CA 1.854 64.045 62.300 -0.181 0.000 1.022 315 V CB -0.699 30.986 31.823 -0.229 0.000 0.645 315 V HN 0.335 nan 8.190 nan 0.000 0.451 316 c N -0.535 117.967 118.600 -0.162 0.000 2.410 316 c HA -0.153 4.421 4.570 0.007 0.000 0.281 316 c C 2.723 176.758 174.090 -0.092 0.000 1.318 316 c CA 1.279 57.564 56.329 -0.073 0.000 1.776 316 c CB -1.167 41.363 42.510 0.033 0.000 1.942 316 c HN 0.619 nan 8.230 nan 0.000 0.508 317 K N 1.287 121.622 120.400 -0.109 0.000 2.001 317 K HA -0.124 4.200 4.320 0.007 0.000 0.208 317 K C 1.708 178.206 176.600 -0.170 0.000 1.048 317 K CA 1.597 57.823 56.287 -0.101 0.000 0.932 317 K CB -0.434 32.028 32.500 -0.063 0.000 0.715 317 K HN 0.601 nan 8.250 nan 0.000 0.437 318 N N -0.574 117.968 118.700 -0.263 0.000 2.223 318 N HA -0.204 4.540 4.740 0.007 0.000 0.185 318 N C 1.821 177.050 175.510 -0.469 0.000 1.016 318 N CA 1.023 53.881 53.050 -0.320 0.000 0.863 318 N CB -0.172 38.118 38.487 -0.328 0.000 0.983 318 N HN 0.227 nan 8.380 nan 0.000 0.429 319 Y N 1.644 121.410 120.300 -0.889 0.000 2.200 319 Y HA -0.006 4.549 4.550 0.009 0.000 0.290 319 Y C 2.257 178.011 175.900 -0.243 0.000 1.137 319 Y CA 1.090 58.788 58.100 -0.670 0.000 1.163 319 Y CB -0.400 37.673 38.460 -0.645 0.000 0.988 319 Y HN -0.005 nan 8.280 nan 0.000 0.518 320 A N -0.106 122.512 122.820 -0.338 0.000 2.016 320 A HA -0.119 4.205 4.320 0.007 0.000 0.217 320 A C 2.161 179.610 177.584 -0.225 0.000 1.162 320 A CA 1.287 53.127 52.037 -0.329 0.000 0.662 320 A CB -0.762 18.137 19.000 -0.167 0.000 0.812 320 A HN 0.614 nan 8.150 nan 0.000 0.450 321 E N -0.425 119.675 120.200 -0.166 0.000 2.268 321 E HA 0.086 4.440 4.350 0.007 0.000 0.195 321 E C 0.272 176.830 176.600 -0.069 0.000 0.995 321 E CA 0.842 57.185 56.400 -0.095 0.000 0.836 321 E CB -0.054 29.607 29.700 -0.065 0.000 0.763 321 E HN 0.505 nan 8.360 nan 0.000 0.491 322 A N 0.382 123.150 122.820 -0.086 0.000 2.503 322 A HA 0.158 4.482 4.320 0.007 0.000 0.275 322 A C 0.233 177.814 177.584 -0.005 0.000 1.339 322 A CA -0.578 51.447 52.037 -0.021 0.000 0.984 322 A CB 0.156 19.190 19.000 0.057 0.000 1.382 322 A HN 0.051 nan 8.150 nan 0.000 0.609 323 K N 0.269 120.569 120.400 -0.167 0.000 2.015 323 K HA -0.225 4.099 4.320 0.007 0.000 0.216 323 K C 0.906 177.615 176.600 0.183 0.000 1.052 323 K CA 2.199 58.369 56.287 -0.195 0.000 0.937 323 K CB -0.005 32.262 32.500 -0.388 0.000 0.719 323 K HN 0.641 nan 8.250 nan 0.000 0.446 324 D N 0.303 120.787 120.400 0.140 0.000 2.144 324 D HA -0.105 4.539 4.640 0.007 0.000 0.199 324 D C 2.017 178.466 176.300 0.248 0.000 0.984 324 D CA 0.835 54.952 54.000 0.194 0.000 0.834 324 D CB -0.208 40.678 40.800 0.143 0.000 0.955 324 D HN -0.030 nan 8.370 nan 0.000 0.465 325 V N 0.899 120.957 119.914 0.240 0.000 2.295 325 V HA -0.237 3.887 4.120 0.007 0.000 0.246 325 V C 2.195 178.450 176.094 0.267 0.000 1.049 325 V CA 1.289 63.755 62.300 0.277 0.000 1.024 325 V CB -0.654 31.311 31.823 0.236 0.000 0.648 325 V HN 0.065 nan 8.190 nan 0.000 0.447 326 F N 0.446 120.500 119.950 0.174 0.000 2.069 326 F HA -0.201 4.329 4.527 0.005 0.000 0.298 326 F C 2.109 178.117 175.800 0.347 0.000 1.113 326 F CA 1.702 59.852 58.000 0.249 0.000 1.214 326 F CB -0.377 38.823 39.000 0.333 0.000 0.978 326 F HN -0.002 nan 8.300 nan 0.000 0.474 327 L N -0.477 120.985 121.223 0.399 0.000 2.131 327 L HA -0.146 4.198 4.340 0.007 0.000 0.210 327 L C 2.731 179.755 176.870 0.257 0.000 1.092 327 L CA 1.225 56.247 54.840 0.305 0.000 0.759 327 L CB -1.398 40.849 42.059 0.313 0.000 0.903 327 L HN 0.340 nan 8.230 nan 0.000 0.435 328 G N -0.426 108.529 108.800 0.258 0.000 2.418 328 G HA2 -0.255 3.709 3.960 0.007 0.000 0.217 328 G HA3 -0.255 3.709 3.960 0.007 0.000 0.217 328 G C 1.623 176.696 174.900 0.289 0.000 1.158 328 G CA 0.566 45.859 45.100 0.322 0.000 0.771 328 G HN 0.191 nan 8.290 nan 0.000 0.545 329 M N -0.501 119.073 119.600 -0.044 0.000 2.117 329 M HA 0.041 4.525 4.480 0.007 0.000 0.262 329 M C 2.340 178.657 176.300 0.029 0.000 1.065 329 M CA 1.136 56.287 55.300 -0.247 0.000 1.114 329 M CB -0.428 31.945 32.600 -0.379 0.000 1.361 329 M HN 0.277 nan 8.290 nan 0.000 0.408 330 F N 1.374 121.164 119.950 -0.266 0.000 2.069 330 F HA -0.214 4.316 4.527 0.005 0.000 0.298 330 F C 2.008 177.592 175.800 -0.360 0.000 1.113 330 F CA 1.582 59.148 58.000 -0.722 0.000 1.214 330 F CB -0.415 38.189 39.000 -0.659 0.000 0.978 330 F HN -0.053 nan 8.300 nan 0.000 0.474 331 L N -0.788 120.389 121.223 -0.076 0.000 2.012 331 L HA -0.280 4.064 4.340 0.007 0.000 0.210 331 L C 2.539 179.353 176.870 -0.094 0.000 1.073 331 L CA 1.949 56.718 54.840 -0.118 0.000 0.748 331 L CB -0.872 41.218 42.059 0.051 0.000 0.891 331 L HN 0.392 nan 8.230 nan 0.000 0.431 332 Y N 0.778 121.055 120.300 -0.038 0.000 2.097 332 Y HA -0.309 4.245 4.550 0.006 0.000 0.282 332 Y C 2.532 178.382 175.900 -0.083 0.000 1.152 332 Y CA 1.882 59.999 58.100 0.028 0.000 1.136 332 Y CB -0.292 38.348 38.460 0.300 0.000 0.975 332 Y HN 0.165 nan 8.280 nan 0.000 0.498 333 E N -0.546 119.436 120.200 -0.362 0.000 2.058 333 E HA -0.249 4.105 4.350 0.007 0.000 0.194 333 E C 2.150 178.438 176.600 -0.519 0.000 0.997 333 E CA 1.674 57.766 56.400 -0.513 0.000 0.801 333 E CB -0.947 28.586 29.700 -0.278 0.000 0.746 333 E HN 0.627 nan 8.360 nan 0.000 0.450 334 Y N 0.905 120.790 120.300 -0.692 0.000 2.220 334 Y HA -0.103 4.453 4.550 0.008 0.000 0.291 334 Y C 2.325 177.964 175.900 -0.435 0.000 1.129 334 Y CA 1.148 58.867 58.100 -0.635 0.000 1.161 334 Y CB -0.517 37.368 38.460 -0.959 0.000 0.997 334 Y HN 0.022 nan 8.280 nan 0.000 0.522 335 A N 0.904 123.611 122.820 -0.188 0.000 1.902 335 A HA -0.236 4.088 4.320 0.007 0.000 0.217 335 A C 2.199 179.647 177.584 -0.226 0.000 1.181 335 A CA 2.018 53.946 52.037 -0.183 0.000 0.623 335 A CB -0.742 18.145 19.000 -0.189 0.000 0.818 335 A HN 0.603 nan 8.150 nan 0.000 0.443 336 R N -0.947 119.370 120.500 -0.305 0.000 2.316 336 R HA 0.075 4.419 4.340 0.007 0.000 0.202 336 R C 1.406 177.511 176.300 -0.325 0.000 1.029 336 R CA 1.158 57.077 56.100 -0.303 0.000 1.018 336 R CB -0.218 29.862 30.300 -0.367 0.000 0.888 336 R HN 0.403 nan 8.270 nan 0.000 0.471 337 R N -0.232 120.030 120.500 -0.397 0.000 2.397 337 R HA 0.179 4.523 4.340 0.007 0.000 0.241 337 R C -0.221 175.588 176.300 -0.818 0.000 0.914 337 R CA 0.003 55.780 56.100 -0.538 0.000 1.071 337 R CB 0.569 30.518 30.300 -0.585 0.000 1.116 337 R HN 0.285 nan 8.270 nan 0.000 0.524 338 H N -0.395 118.442 119.070 -0.388 0.000 2.429 338 H HA 0.189 4.751 4.556 0.010 0.000 0.231 338 H C -2.221 172.918 175.328 -0.316 0.000 1.416 338 H CA -1.885 53.872 56.048 -0.485 0.000 1.443 338 H CB 1.600 30.807 29.762 -0.926 0.000 1.591 338 H HN -0.057 nan 8.280 nan 0.000 0.507 339 P HA -0.094 nan 4.420 nan 0.000 0.226 339 P C 1.270 178.544 177.300 -0.044 0.000 1.153 339 P CA 0.845 63.877 63.100 -0.113 0.000 0.777 339 P CB 0.381 32.011 31.700 -0.117 0.000 0.794 340 D N -2.609 117.791 120.400 -0.000 0.000 2.355 340 D HA -0.104 4.540 4.640 0.007 0.000 0.218 340 D C 0.195 176.647 176.300 0.252 0.000 1.004 340 D CA 0.378 54.439 54.000 0.101 0.000 0.880 340 D CB -0.507 40.367 40.800 0.124 0.000 0.911 340 D HN 0.110 nan 8.370 nan 0.000 0.528 341 Y N 1.835 122.115 120.300 -0.034 0.000 2.335 341 Y HA 0.313 4.869 4.550 0.010 0.000 0.323 341 Y C 1.136 176.962 175.900 -0.124 0.000 1.224 341 Y CA -2.401 55.638 58.100 -0.102 0.000 1.241 341 Y CB 1.331 39.694 38.460 -0.161 0.000 1.235 341 Y HN -0.130 nan 8.280 nan 0.000 0.492 342 S N 0.006 115.703 115.700 -0.004 0.000 2.580 342 S HA 0.235 4.708 4.470 0.007 0.000 0.274 342 S C 0.963 175.506 174.600 -0.095 0.000 1.329 342 S CA -0.749 57.416 58.200 -0.059 0.000 1.036 342 S CB 1.104 64.260 63.200 -0.074 0.000 0.919 342 S HN 0.417 nan 8.310 nan 0.000 0.515 343 V N 2.581 122.412 119.914 -0.138 0.000 2.332 343 V HA -0.163 3.961 4.120 0.007 0.000 0.248 343 V C 2.493 178.488 176.094 -0.165 0.000 1.055 343 V CA 1.981 64.139 62.300 -0.237 0.000 1.038 343 V CB -0.898 30.668 31.823 -0.429 0.000 0.651 343 V HN 0.848 nan 8.190 nan 0.000 0.450 344 V N -0.277 119.589 119.914 -0.080 0.000 2.626 344 V HA -0.178 3.946 4.120 0.007 0.000 0.252 344 V C 2.215 178.231 176.094 -0.130 0.000 1.067 344 V CA 2.179 64.439 62.300 -0.067 0.000 1.081 344 V CB -0.023 31.785 31.823 -0.026 0.000 0.686 344 V HN 0.528 nan 8.190 nan 0.000 0.468 345 L N -0.247 120.877 121.223 -0.164 0.000 2.056 345 L HA -0.038 4.306 4.340 0.007 0.000 0.207 345 L C 2.181 178.880 176.870 -0.285 0.000 1.078 345 L CA 2.044 56.737 54.840 -0.245 0.000 0.749 345 L CB -0.510 41.349 42.059 -0.333 0.000 0.901 345 L HN 0.309 nan 8.230 nan 0.000 0.433 346 L N -1.147 119.934 121.223 -0.237 0.000 2.046 346 L HA -0.238 4.106 4.340 0.007 0.000 0.208 346 L C 2.499 179.206 176.870 -0.272 0.000 1.077 346 L CA 1.268 55.932 54.840 -0.294 0.000 0.747 346 L CB -0.523 41.395 42.059 -0.234 0.000 0.896 346 L HN 0.319 nan 8.230 nan 0.000 0.432 347 L N -0.805 120.303 121.223 -0.191 0.000 2.046 347 L HA -0.207 4.137 4.340 0.007 0.000 0.208 347 L C 2.792 179.582 176.870 -0.132 0.000 1.077 347 L CA 1.228 55.991 54.840 -0.129 0.000 0.747 347 L CB -0.500 41.507 42.059 -0.086 0.000 0.896 347 L HN 0.210 nan 8.230 nan 0.000 0.432 348 R N -0.043 120.357 120.500 -0.166 0.000 2.096 348 R HA -0.139 4.205 4.340 0.007 0.000 0.235 348 R C 2.272 178.456 176.300 -0.193 0.000 1.127 348 R CA 1.170 57.177 56.100 -0.155 0.000 0.968 348 R CB -0.336 29.865 30.300 -0.163 0.000 0.861 348 R HN 0.342 nan 8.270 nan 0.000 0.440 349 L N -0.165 120.845 121.223 -0.355 0.000 2.005 349 L HA -0.111 4.233 4.340 0.007 0.000 0.207 349 L C 2.732 179.466 176.870 -0.226 0.000 1.072 349 L CA 1.223 55.709 54.840 -0.591 0.000 0.744 349 L CB -0.729 40.632 42.059 -1.162 0.000 0.895 349 L HN 0.214 nan 8.230 nan 0.000 0.433 350 A N 0.480 123.259 122.820 -0.068 0.000 1.917 350 A HA -0.298 4.026 4.320 0.007 0.000 0.219 350 A C 2.307 179.926 177.584 0.059 0.000 1.182 350 A CA 2.323 54.441 52.037 0.134 0.000 0.633 350 A CB -0.502 18.577 19.000 0.133 0.000 0.819 350 A HN 0.275 nan 8.150 nan 0.000 0.448 351 K N -0.521 119.885 120.400 0.010 0.000 2.009 351 K HA -0.110 4.214 4.320 0.007 0.000 0.210 351 K C 2.008 178.629 176.600 0.034 0.000 1.049 351 K CA 2.428 58.722 56.287 0.013 0.000 0.929 351 K CB -1.127 31.364 32.500 -0.015 0.000 0.714 351 K HN 0.372 nan 8.250 nan 0.000 0.440 352 T N 0.107 114.697 114.554 0.060 0.000 2.720 352 T HA -0.171 4.183 4.350 0.007 0.000 0.268 352 T C 1.400 176.211 174.700 0.184 0.000 1.037 352 T CA 1.632 63.815 62.100 0.137 0.000 1.144 352 T CB -0.575 68.437 68.868 0.239 0.000 0.864 352 T HN 0.314 nan 8.240 nan 0.000 0.444 353 Y N 1.898 122.221 120.300 0.039 0.000 2.145 353 Y HA -0.133 4.419 4.550 0.003 0.000 0.286 353 Y C 2.505 178.288 175.900 -0.196 0.000 1.145 353 Y CA 1.719 59.744 58.100 -0.126 0.000 1.148 353 Y CB -0.520 37.603 38.460 -0.562 0.000 0.981 353 Y HN 0.308 nan 8.280 nan 0.000 0.507 354 E N -0.900 119.200 120.200 -0.166 0.000 2.038 354 E HA -0.235 4.119 4.350 0.007 0.000 0.195 354 E C 1.985 178.491 176.600 -0.157 0.000 1.000 354 E CA 2.285 58.562 56.400 -0.204 0.000 0.803 354 E CB -0.247 29.443 29.700 -0.017 0.000 0.750 354 E HN 0.487 nan 8.360 nan 0.000 0.448 355 T N 0.290 114.807 114.554 -0.062 0.000 2.665 355 T HA -0.184 4.170 4.350 0.007 0.000 0.268 355 T C 1.907 176.572 174.700 -0.060 0.000 1.035 355 T CA 1.953 64.034 62.100 -0.031 0.000 1.151 355 T CB -0.649 68.221 68.868 0.003 0.000 0.862 355 T HN 0.274 nan 8.240 nan 0.000 0.438 356 T N 2.489 116.996 114.554 -0.079 0.000 2.607 356 T HA -0.034 4.319 4.350 0.007 0.000 0.267 356 T C 1.974 176.587 174.700 -0.144 0.000 1.049 356 T CA 1.055 63.109 62.100 -0.076 0.000 1.162 356 T CB -0.577 68.263 68.868 -0.047 0.000 0.863 356 T HN 0.246 nan 8.240 nan 0.000 0.424 357 L N 0.832 121.842 121.223 -0.355 0.000 2.127 357 L HA -0.133 4.211 4.340 0.007 0.000 0.211 357 L C 2.875 179.643 176.870 -0.170 0.000 1.089 357 L CA 1.258 55.835 54.840 -0.439 0.000 0.757 357 L CB -0.613 40.830 42.059 -1.027 0.000 0.899 357 L HN 0.269 nan 8.230 nan 0.000 0.434 358 E N 0.214 120.362 120.200 -0.086 0.000 2.028 358 E HA -0.153 4.201 4.350 0.007 0.000 0.191 358 E C 2.357 178.970 176.600 0.023 0.000 0.988 358 E CA 1.094 57.514 56.400 0.033 0.000 0.799 358 E CB -0.072 29.653 29.700 0.042 0.000 0.755 358 E HN 0.314 nan 8.360 nan 0.000 0.447 359 K N 0.269 120.671 120.400 0.004 0.000 2.002 359 K HA -0.096 4.228 4.320 0.007 0.000 0.209 359 K C 2.480 179.095 176.600 0.026 0.000 1.048 359 K CA 1.273 57.569 56.287 0.015 0.000 0.930 359 K CB -1.155 31.352 32.500 0.012 0.000 0.714 359 K HN 0.308 nan 8.250 nan 0.000 0.438 360 c N 0.026 118.645 118.600 0.032 0.000 2.432 360 c HA -0.097 4.477 4.570 0.007 0.000 0.277 360 c C 2.829 176.974 174.090 0.091 0.000 1.249 360 c CA 0.544 56.918 56.329 0.074 0.000 1.725 360 c CB -1.103 41.499 42.510 0.154 0.000 2.028 360 c HN 0.660 nan 8.230 nan 0.000 0.477 361 c N 1.162 119.810 118.600 0.079 0.000 2.460 361 c HA 0.128 4.702 4.570 0.007 0.000 0.291 361 c C 2.041 176.169 174.090 0.063 0.000 1.493 361 c CA 0.858 57.239 56.329 0.088 0.000 1.748 361 c CB -2.108 40.457 42.510 0.091 0.000 1.656 361 c HN 0.683 nan 8.230 nan 0.000 0.576 362 A N -0.399 122.451 122.820 0.050 0.000 2.827 362 A HA 0.718 5.042 4.320 0.007 0.000 0.300 362 A C 0.405 178.005 177.584 0.027 0.000 1.237 362 A CA 0.365 52.422 52.037 0.034 0.000 0.964 362 A CB -0.210 18.808 19.000 0.030 0.000 1.143 362 A HN 0.466 nan 8.150 nan 0.000 0.554 363 A N -1.205 121.633 122.820 0.030 0.000 2.475 363 A HA 0.751 5.075 4.320 0.007 0.000 0.301 363 A C 1.103 178.695 177.584 0.013 0.000 1.059 363 A CA 0.046 52.094 52.037 0.018 0.000 0.710 363 A CB 0.578 19.587 19.000 0.016 0.000 1.288 363 A HN 1.291 nan 8.150 nan 0.000 0.408 364 A N 1.056 123.879 122.820 0.004 0.000 1.870 364 A HA -0.184 4.140 4.320 0.007 0.000 0.219 364 A C 0.936 178.517 177.584 -0.004 0.000 1.286 364 A CA 2.530 54.567 52.037 -0.001 0.000 0.682 364 A CB -0.801 18.195 19.000 -0.007 0.000 0.844 364 A HN 0.882 nan 8.150 nan 0.000 0.460 365 D N -0.984 119.405 120.400 -0.017 0.000 2.479 365 D HA 0.433 5.077 4.640 0.007 0.000 0.218 365 D C -1.752 174.516 176.300 -0.053 0.000 1.131 365 D CA -2.025 51.957 54.000 -0.031 0.000 0.916 365 D CB 0.928 41.700 40.800 -0.046 0.000 1.022 365 D HN 0.031 nan 8.370 nan 0.000 0.515 366 P HA -0.250 nan 4.420 nan 0.000 0.213 366 P C 1.328 178.349 177.300 -0.465 0.000 1.176 366 P CA 1.071 64.148 63.100 -0.038 0.000 0.919 366 P CB 0.003 31.790 31.700 0.145 0.000 0.791 367 H N 0.018 118.714 119.070 -0.623 0.000 2.325 367 H HA -0.224 4.335 4.556 0.006 0.000 0.293 367 H C 1.944 176.845 175.328 -0.712 0.000 1.106 367 H CA 2.401 57.888 56.048 -0.936 0.000 1.247 367 H CB -0.521 29.030 29.762 -0.351 0.000 1.359 367 H HN 0.096 nan 8.280 nan 0.000 0.488 368 E N -0.301 119.816 120.200 -0.139 0.000 2.106 368 E HA -0.113 4.240 4.350 0.007 0.000 0.192 368 E C 2.744 179.271 176.600 -0.122 0.000 0.984 368 E CA 1.139 57.491 56.400 -0.080 0.000 0.806 368 E CB -0.651 29.006 29.700 -0.072 0.000 0.750 368 E HN 0.451 nan 8.360 nan 0.000 0.458 369 c N 0.336 118.840 118.600 -0.160 0.000 2.446 369 c HA -0.107 4.467 4.570 0.007 0.000 0.277 369 c C 2.359 176.435 174.090 -0.024 0.000 1.275 369 c CA 1.175 57.459 56.329 -0.074 0.000 1.727 369 c CB -1.149 41.345 42.510 -0.027 0.000 2.010 369 c HN 0.700 nan 8.230 nan 0.000 0.486 370 Y N 0.252 120.541 120.300 -0.019 0.000 2.458 370 Y HA 0.612 5.164 4.550 0.003 0.000 0.256 370 Y C 1.814 177.684 175.900 -0.051 0.000 1.159 370 Y CA 0.041 58.117 58.100 -0.041 0.000 1.261 370 Y CB -1.402 37.018 38.460 -0.068 0.000 1.119 370 Y HN 0.148 nan 8.280 nan 0.000 0.524 371 A N 1.543 124.319 122.820 -0.072 0.000 2.019 371 A HA 0.005 4.329 4.320 0.007 0.000 0.219 371 A C 1.913 179.510 177.584 0.022 0.000 1.164 371 A CA 1.667 53.683 52.037 -0.035 0.000 0.644 371 A CB -0.881 18.119 19.000 -0.001 0.000 0.805 371 A HN 0.439 nan 8.150 nan 0.000 0.449 372 K N -0.005 120.413 120.400 0.030 0.000 3.101 372 K HA 0.622 4.946 4.320 0.007 0.000 0.229 372 K C 0.825 177.437 176.600 0.020 0.000 1.232 372 K CA 0.418 56.720 56.287 0.025 0.000 1.210 372 K CB -0.486 32.025 32.500 0.019 0.000 1.284 372 K HN 0.302 nan 8.250 nan 0.000 0.448 373 V N -0.732 119.200 119.914 0.030 0.000 2.492 373 V HA 0.062 4.186 4.120 0.007 0.000 0.241 373 V C 1.649 177.561 176.094 -0.303 0.000 1.041 373 V CA 0.930 63.193 62.300 -0.062 0.000 1.057 373 V CB -0.444 31.405 31.823 0.042 0.000 0.711 373 V HN 0.650 nan 8.190 nan 0.000 0.468 374 F N 1.079 120.732 119.950 -0.495 0.000 2.346 374 F HA -0.154 4.376 4.527 0.004 0.000 0.301 374 F C 2.207 177.857 175.800 -0.250 0.000 1.070 374 F CA 1.436 59.120 58.000 -0.527 0.000 1.407 374 F CB -0.612 38.328 39.000 -0.101 0.000 1.072 374 F HN 0.340 nan 8.300 nan 0.000 0.543 375 D N -0.573 119.829 120.400 0.003 0.000 2.249 375 D HA -0.081 4.563 4.640 0.007 0.000 0.205 375 D C 1.864 178.176 176.300 0.019 0.000 0.962 375 D CA 0.581 54.604 54.000 0.039 0.000 0.860 375 D CB -0.033 40.792 40.800 0.041 0.000 0.955 375 D HN 0.418 nan 8.370 nan 0.000 0.505 376 E N -0.129 120.043 120.200 -0.047 0.000 2.347 376 E HA -0.085 4.269 4.350 0.007 0.000 0.196 376 E C 1.582 178.276 176.600 0.156 0.000 1.008 376 E CA 0.262 56.676 56.400 0.024 0.000 0.852 376 E CB 0.110 29.816 29.700 0.010 0.000 0.783 376 E HN 0.196 nan 8.360 nan 0.000 0.505 377 F N 1.472 121.432 119.950 0.017 0.000 2.128 377 F HA -0.141 4.385 4.527 -0.001 0.000 0.295 377 F C 2.824 178.591 175.800 -0.054 0.000 1.100 377 F CA 1.177 59.145 58.000 -0.053 0.000 1.260 377 F CB -1.391 37.549 39.000 -0.100 0.000 1.009 377 F HN -0.017 nan 8.300 nan 0.000 0.476 378 K N 1.295 121.807 120.400 0.187 0.000 2.044 378 K HA -0.248 4.076 4.320 0.007 0.000 0.224 378 K C -0.076 176.547 176.600 0.039 0.000 1.056 378 K CA 2.527 58.871 56.287 0.096 0.000 0.962 378 K CB -3.101 29.449 32.500 0.082 0.000 0.730 378 K HN 0.330 nan 8.250 nan 0.000 0.453 379 P HA -0.118 nan 4.420 nan 0.000 0.219 379 P C 1.327 178.613 177.300 -0.023 0.000 1.146 379 P CA 0.981 64.086 63.100 0.008 0.000 0.808 379 P CB -0.005 31.706 31.700 0.018 0.000 0.779 380 L N -0.536 120.671 121.223 -0.027 0.000 2.072 380 L HA -0.080 4.264 4.340 0.007 0.000 0.205 380 L C 2.815 179.581 176.870 -0.173 0.000 1.079 380 L CA 1.400 56.187 54.840 -0.088 0.000 0.752 380 L CB -1.511 40.493 42.059 -0.091 0.000 0.906 380 L HN -0.178 nan 8.230 nan 0.000 0.436 381 V N -0.591 119.199 119.914 -0.207 0.000 2.307 381 V HA -0.246 3.878 4.120 0.007 0.000 0.245 381 V C 2.358 178.311 176.094 -0.236 0.000 1.045 381 V CA 1.536 63.632 62.300 -0.341 0.000 1.024 381 V CB -0.473 31.156 31.823 -0.323 0.000 0.651 381 V HN 0.479 nan 8.190 nan 0.000 0.449 382 E N -0.337 119.788 120.200 -0.124 0.000 2.110 382 E HA -0.233 4.121 4.350 0.007 0.000 0.193 382 E C 2.257 178.814 176.600 -0.071 0.000 0.988 382 E CA 0.980 57.334 56.400 -0.076 0.000 0.804 382 E CB -0.179 29.501 29.700 -0.033 0.000 0.745 382 E HN 0.549 nan 8.360 nan 0.000 0.458 383 E N 1.111 121.267 120.200 -0.073 0.000 2.035 383 E HA -0.188 4.166 4.350 0.007 0.000 0.204 383 E C -0.555 176.009 176.600 -0.061 0.000 1.025 383 E CA 1.899 58.266 56.400 -0.056 0.000 0.835 383 E CB -0.982 28.685 29.700 -0.056 0.000 0.764 383 E HN 0.181 nan 8.360 nan 0.000 0.457 384 P HA -0.148 nan 4.420 nan 0.000 0.217 384 P C 1.441 178.696 177.300 -0.075 0.000 1.150 384 P CA 1.517 64.563 63.100 -0.089 0.000 0.832 384 P CB -0.207 31.409 31.700 -0.140 0.000 0.787 385 Q N -0.415 119.331 119.800 -0.090 0.000 2.020 385 Q HA -0.140 4.204 4.340 0.007 0.000 0.202 385 Q C 2.256 178.237 176.000 -0.030 0.000 0.982 385 Q CA 1.236 57.004 55.803 -0.059 0.000 0.838 385 Q CB -0.585 28.118 28.738 -0.059 0.000 0.899 385 Q HN 0.269 nan 8.270 nan 0.000 0.423 386 N N 0.993 119.677 118.700 -0.026 0.000 2.061 386 N HA -0.157 4.587 4.740 0.007 0.000 0.193 386 N C 1.879 177.390 175.510 0.000 0.000 1.030 386 N CA 1.104 54.148 53.050 -0.009 0.000 0.856 386 N CB -0.409 38.074 38.487 -0.007 0.000 1.023 386 N HN 0.198 nan 8.380 nan 0.000 0.424 387 L N 0.602 121.825 121.223 0.000 0.000 2.079 387 L HA -0.162 4.182 4.340 0.007 0.000 0.210 387 L C 2.091 178.973 176.870 0.020 0.000 1.081 387 L CA 0.685 55.537 54.840 0.019 0.000 0.752 387 L CB -0.329 41.743 42.059 0.022 0.000 0.896 387 L HN 0.157 nan 8.230 nan 0.000 0.433 388 I N 0.630 121.200 120.570 -0.000 0.000 2.072 388 I HA -0.316 3.858 4.170 0.007 0.000 0.235 388 I C 3.140 179.252 176.117 -0.008 0.000 1.058 388 I CA 2.088 63.382 61.300 -0.010 0.000 1.320 388 I CB -1.437 36.548 38.000 -0.025 0.000 1.047 388 I HN 0.193 nan 8.210 nan 0.000 0.397 389 K N 0.558 120.955 120.400 -0.005 0.000 2.074 389 K HA -0.274 4.050 4.320 0.007 0.000 0.209 389 K C 2.182 178.786 176.600 0.007 0.000 1.048 389 K CA 2.149 58.435 56.287 -0.001 0.000 0.926 389 K CB -1.597 30.905 32.500 0.003 0.000 0.713 389 K HN 0.410 nan 8.250 nan 0.000 0.444 390 Q N 0.850 120.660 119.800 0.016 0.000 2.020 390 Q HA -0.156 4.188 4.340 0.007 0.000 0.202 390 Q C 2.211 178.239 176.000 0.046 0.000 0.982 390 Q CA 1.917 57.738 55.803 0.029 0.000 0.838 390 Q CB -0.581 28.177 28.738 0.033 0.000 0.899 390 Q HN 0.858 nan 8.270 nan 0.000 0.423 391 N N -0.652 118.084 118.700 0.059 0.000 2.270 391 N HA -0.059 4.685 4.740 0.007 0.000 0.181 391 N C 1.875 177.364 175.510 -0.035 0.000 1.016 391 N CA 1.408 54.520 53.050 0.102 0.000 0.870 391 N CB -0.502 38.089 38.487 0.173 0.000 0.979 391 N HN 0.469 nan 8.380 nan 0.000 0.431 392 c N 1.227 119.794 118.600 -0.054 0.000 2.435 392 c HA 0.006 4.580 4.570 0.007 0.000 0.279 392 c C 2.489 176.565 174.090 -0.023 0.000 1.321 392 c CA 0.256 56.530 56.329 -0.093 0.000 1.752 392 c CB -0.664 41.802 42.510 -0.073 0.000 1.959 392 c HN 0.484 nan 8.230 nan 0.000 0.500 393 E N 0.428 120.623 120.200 -0.008 0.000 2.017 393 E HA -0.236 4.118 4.350 0.007 0.000 0.193 393 E C 2.027 178.622 176.600 -0.009 0.000 0.997 393 E CA 1.105 57.508 56.400 0.004 0.000 0.804 393 E CB -0.426 29.280 29.700 0.010 0.000 0.757 393 E HN 0.401 nan 8.360 nan 0.000 0.448 394 L N 1.103 122.326 121.223 0.001 0.000 2.051 394 L HA -0.227 4.117 4.340 0.007 0.000 0.214 394 L C 2.148 178.974 176.870 -0.073 0.000 1.076 394 L CA 1.734 56.589 54.840 0.026 0.000 0.758 394 L CB -0.786 41.364 42.059 0.152 0.000 0.890 394 L HN 0.159 nan 8.230 nan 0.000 0.433 395 F N 0.733 120.365 119.950 -0.530 0.000 2.216 395 F HA -0.080 4.450 4.527 0.006 0.000 0.300 395 F C 2.303 177.925 175.800 -0.296 0.000 1.085 395 F CA 1.944 59.481 58.000 -0.772 0.000 1.326 395 F CB -0.663 37.590 39.000 -1.244 0.000 1.027 395 F HN 0.250 nan 8.300 nan 0.000 0.497 396 E N 0.641 120.760 120.200 -0.134 0.000 2.106 396 E HA -0.172 4.182 4.350 0.007 0.000 0.192 396 E C 1.843 178.338 176.600 -0.176 0.000 0.984 396 E CA 1.466 57.785 56.400 -0.135 0.000 0.806 396 E CB -0.776 28.927 29.700 0.004 0.000 0.750 396 E HN 0.752 nan 8.360 nan 0.000 0.458 397 Q N -0.382 119.344 119.800 -0.123 0.000 1.809 397 Q HA 0.122 4.466 4.340 0.007 0.000 0.269 397 Q C 1.357 177.291 176.000 -0.110 0.000 0.984 397 Q CA 0.965 56.719 55.803 -0.081 0.000 0.885 397 Q CB -0.500 28.218 28.738 -0.033 0.000 0.933 397 Q HN 0.577 nan 8.270 nan 0.000 0.422 398 L N 0.159 121.333 121.223 -0.082 0.000 2.474 398 L HA 0.241 4.585 4.340 0.007 0.000 0.259 398 L C 0.901 177.667 176.870 -0.174 0.000 1.232 398 L CA -0.429 54.375 54.840 -0.059 0.000 0.821 398 L CB -0.375 41.700 42.059 0.026 0.000 1.108 398 L HN 0.250 nan 8.230 nan 0.000 0.495 399 G N -0.788 107.948 108.800 -0.107 0.000 2.563 399 G HA2 0.140 4.104 3.960 0.007 0.000 0.283 399 G HA3 0.140 4.104 3.960 0.007 0.000 0.283 399 G C 0.524 175.353 174.900 -0.118 0.000 1.309 399 G CA -0.176 44.812 45.100 -0.187 0.000 1.022 399 G HN 0.887 nan 8.290 nan 0.000 0.501 400 E N -1.284 118.894 120.200 -0.037 0.000 2.033 400 E HA -0.294 4.060 4.350 0.007 0.000 0.199 400 E C 1.926 178.699 176.600 0.289 0.000 1.011 400 E CA 1.636 58.214 56.400 0.295 0.000 0.815 400 E CB -0.363 29.543 29.700 0.343 0.000 0.755 400 E HN 0.510 nan 8.360 nan 0.000 0.451 401 Y N 1.431 121.802 120.300 0.119 0.000 2.014 401 Y HA -0.333 4.222 4.550 0.008 0.000 0.272 401 Y C 2.626 178.577 175.900 0.086 0.000 1.164 401 Y CA 2.668 60.823 58.100 0.091 0.000 1.114 401 Y CB -0.692 37.805 38.460 0.063 0.000 0.961 401 Y HN -0.115 nan 8.280 nan 0.000 0.489 402 K N -0.296 120.096 120.400 -0.013 0.000 2.152 402 K HA -0.185 4.139 4.320 0.007 0.000 0.206 402 K C 1.900 178.480 176.600 -0.033 0.000 1.048 402 K CA 1.278 57.512 56.287 -0.088 0.000 0.933 402 K CB -1.339 31.188 32.500 0.046 0.000 0.721 402 K HN 0.580 nan 8.250 nan 0.000 0.447 403 F N 1.959 121.862 119.950 -0.077 0.000 2.259 403 F HA -0.065 4.465 4.527 0.005 0.000 0.298 403 F C 2.096 177.889 175.800 -0.011 0.000 1.088 403 F CA 1.327 59.322 58.000 -0.008 0.000 1.358 403 F CB -0.228 38.835 39.000 0.104 0.000 1.040 403 F HN 0.151 nan 8.300 nan 0.000 0.505 404 Q N -0.140 119.540 119.800 -0.200 0.000 2.172 404 Q HA -0.152 4.192 4.340 0.007 0.000 0.200 404 Q C 1.712 177.537 176.000 -0.292 0.000 0.964 404 Q CA 1.216 56.850 55.803 -0.282 0.000 0.855 404 Q CB -0.257 28.404 28.738 -0.129 0.000 0.918 404 Q HN 0.391 nan 8.270 nan 0.000 0.444 405 N N 0.881 119.391 118.700 -0.317 0.000 2.188 405 N HA -0.095 4.649 4.740 0.007 0.000 0.184 405 N C 1.597 176.987 175.510 -0.199 0.000 1.018 405 N CA 1.249 54.143 53.050 -0.259 0.000 0.858 405 N CB -0.297 38.015 38.487 -0.292 0.000 0.989 405 N HN 0.219 nan 8.380 nan 0.000 0.426 406 A N 1.239 123.933 122.820 -0.210 0.000 1.902 406 A HA -0.036 4.288 4.320 0.007 0.000 0.217 406 A C 2.281 179.705 177.584 -0.267 0.000 1.181 406 A CA 0.891 52.816 52.037 -0.186 0.000 0.623 406 A CB -0.735 18.191 19.000 -0.123 0.000 0.818 406 A HN 0.212 nan 8.150 nan 0.000 0.443 407 L N -1.120 119.888 121.223 -0.358 0.000 2.131 407 L HA -0.152 4.192 4.340 0.007 0.000 0.210 407 L C 2.503 179.260 176.870 -0.189 0.000 1.092 407 L CA 0.562 55.194 54.840 -0.348 0.000 0.759 407 L CB -0.507 41.404 42.059 -0.247 0.000 0.903 407 L HN 0.342 nan 8.230 nan 0.000 0.435 408 L N -0.464 120.677 121.223 -0.136 0.000 2.005 408 L HA -0.153 4.191 4.340 0.007 0.000 0.207 408 L C 2.433 179.262 176.870 -0.069 0.000 1.072 408 L CA 1.635 56.441 54.840 -0.056 0.000 0.744 408 L CB -0.496 41.519 42.059 -0.075 0.000 0.895 408 L HN -0.066 nan 8.230 nan 0.000 0.433 409 V N -0.617 119.230 119.914 -0.111 0.000 2.295 409 V HA -0.291 3.833 4.120 0.007 0.000 0.246 409 V C 2.679 178.690 176.094 -0.138 0.000 1.049 409 V CA 1.912 64.154 62.300 -0.095 0.000 1.024 409 V CB -0.727 31.042 31.823 -0.089 0.000 0.648 409 V HN 0.434 nan 8.190 nan 0.000 0.447 410 R N -0.954 119.391 120.500 -0.258 0.000 2.096 410 R HA -0.215 4.129 4.340 0.007 0.000 0.240 410 R C 2.284 178.367 176.300 -0.361 0.000 1.139 410 R CA 2.271 58.139 56.100 -0.387 0.000 0.952 410 R CB -0.269 29.637 30.300 -0.657 0.000 0.854 410 R HN 0.602 nan 8.270 nan 0.000 0.436 411 Y N -1.118 119.148 120.300 -0.056 0.000 2.448 411 Y HA 0.070 4.623 4.550 0.004 0.000 0.289 411 Y C 2.393 178.259 175.900 -0.057 0.000 1.114 411 Y CA 0.867 58.938 58.100 -0.049 0.000 1.235 411 Y CB -0.440 37.985 38.460 -0.059 0.000 1.045 411 Y HN 0.008 nan 8.280 nan 0.000 0.554 412 T N 0.265 114.856 114.554 0.062 0.000 2.759 412 T HA -0.175 4.179 4.350 0.007 0.000 0.269 412 T C 1.808 176.476 174.700 -0.054 0.000 1.042 412 T CA 1.512 63.609 62.100 -0.005 0.000 1.140 412 T CB -0.115 68.745 68.868 -0.013 0.000 0.864 412 T HN 0.307 nan 8.240 nan 0.000 0.455 413 K N 0.895 121.273 120.400 -0.036 0.000 2.057 413 K HA -0.014 4.310 4.320 0.007 0.000 0.206 413 K C 2.448 179.034 176.600 -0.023 0.000 1.050 413 K CA 0.996 57.260 56.287 -0.038 0.000 0.935 413 K CB -0.060 32.422 32.500 -0.030 0.000 0.715 413 K HN 0.298 nan 8.250 nan 0.000 0.439 414 K N 0.420 120.830 120.400 0.017 0.000 2.025 414 K HA -0.049 4.275 4.320 0.007 0.000 0.207 414 K C 0.588 177.204 176.600 0.027 0.000 1.049 414 K CA 0.953 57.269 56.287 0.049 0.000 0.933 414 K CB 0.271 32.848 32.500 0.129 0.000 0.714 414 K HN -0.082 nan 8.250 nan 0.000 0.438 415 V N 2.253 122.177 119.914 0.016 0.000 2.383 415 V HA 0.128 4.252 4.120 0.007 0.000 0.261 415 V C -2.350 173.688 176.094 -0.092 0.000 0.987 415 V CA -1.005 61.285 62.300 -0.017 0.000 0.853 415 V CB 1.192 33.029 31.823 0.023 0.000 1.095 415 V HN 0.026 nan 8.190 nan 0.000 0.461 416 P HA -0.063 nan 4.420 nan 0.000 0.226 416 P C 1.327 178.432 177.300 -0.325 0.000 1.153 416 P CA 0.800 63.611 63.100 -0.482 0.000 0.777 416 P CB 0.378 31.311 31.700 -1.278 0.000 0.794 417 Q N -0.737 118.979 119.800 -0.140 0.000 2.123 417 Q HA -0.019 4.325 4.340 0.007 0.000 0.199 417 Q C 0.818 176.835 176.000 0.028 0.000 0.966 417 Q CA 0.549 56.358 55.803 0.010 0.000 0.845 417 Q CB -1.200 27.580 28.738 0.071 0.000 0.907 417 Q HN 0.093 nan 8.270 nan 0.000 0.439 418 V N 1.881 121.807 119.914 0.021 0.000 3.032 418 V HA -0.044 4.080 4.120 0.007 0.000 0.307 418 V C 0.613 176.720 176.094 0.021 0.000 1.097 418 V CA 0.120 62.445 62.300 0.042 0.000 1.191 418 V CB 0.815 32.657 31.823 0.032 0.000 0.964 418 V HN 0.423 nan 8.190 nan 0.000 0.494 419 S N 2.598 118.315 115.700 0.028 0.000 2.576 419 S HA 0.071 4.544 4.470 0.007 0.000 0.276 419 S C 1.142 175.746 174.600 0.006 0.000 1.339 419 S CA 0.094 58.303 58.200 0.015 0.000 1.039 419 S CB 1.141 64.349 63.200 0.014 0.000 0.902 419 S HN 0.773 nan 8.310 nan 0.000 0.516 420 T N 3.588 118.143 114.554 0.001 0.000 2.720 420 T HA -0.034 4.320 4.350 0.007 0.000 0.268 420 T C -0.703 173.998 174.700 0.001 0.000 1.037 420 T CA 1.709 63.808 62.100 -0.001 0.000 1.144 420 T CB -1.276 67.586 68.868 -0.010 0.000 0.864 420 T HN 0.719 nan 8.240 nan 0.000 0.444 421 P HA -0.045 nan 4.420 nan 0.000 0.216 421 P C 1.476 178.778 177.300 0.004 0.000 1.153 421 P CA 1.236 64.338 63.100 0.003 0.000 0.844 421 P CB -0.292 31.409 31.700 0.001 0.000 0.787 422 T N 0.969 115.525 114.554 0.004 0.000 2.746 422 T HA -0.085 4.269 4.350 0.007 0.000 0.267 422 T C 2.012 176.705 174.700 -0.013 0.000 1.039 422 T CA 1.108 63.208 62.100 -0.000 0.000 1.142 422 T CB -0.847 68.027 68.868 0.011 0.000 0.866 422 T HN 0.045 nan 8.240 nan 0.000 0.444 423 L N 0.710 121.928 121.223 -0.008 0.000 2.079 423 L HA -0.105 4.239 4.340 0.007 0.000 0.210 423 L C 2.633 179.500 176.870 -0.005 0.000 1.081 423 L CA 0.924 55.759 54.840 -0.009 0.000 0.752 423 L CB -0.627 41.435 42.059 0.005 0.000 0.896 423 L HN 0.164 nan 8.230 nan 0.000 0.433 424 V N -0.086 119.830 119.914 0.003 0.000 2.358 424 V HA -0.293 3.831 4.120 0.007 0.000 0.246 424 V C 2.450 178.548 176.094 0.006 0.000 1.047 424 V CA 2.090 64.396 62.300 0.010 0.000 1.035 424 V CB -0.482 31.354 31.823 0.023 0.000 0.658 424 V HN 0.543 nan 8.190 nan 0.000 0.452 425 E N 0.280 120.480 120.200 0.000 0.000 2.047 425 E HA -0.178 4.176 4.350 0.007 0.000 0.191 425 E C 2.165 178.751 176.600 -0.023 0.000 0.987 425 E CA 1.702 58.100 56.400 -0.003 0.000 0.799 425 E CB -0.095 29.605 29.700 -0.001 0.000 0.752 425 E HN 0.351 nan 8.360 nan 0.000 0.449 426 V N 0.878 120.763 119.914 -0.048 0.000 2.295 426 V HA -0.252 3.872 4.120 0.007 0.000 0.246 426 V C 2.443 178.482 176.094 -0.091 0.000 1.049 426 V CA 1.993 64.237 62.300 -0.094 0.000 1.024 426 V CB -0.518 31.215 31.823 -0.151 0.000 0.648 426 V HN 0.292 nan 8.190 nan 0.000 0.447 427 S N -0.441 115.225 115.700 -0.058 0.000 2.382 427 S HA -0.168 4.306 4.470 0.007 0.000 0.228 427 S C 2.058 176.638 174.600 -0.033 0.000 1.027 427 S CA 1.337 59.520 58.200 -0.029 0.000 0.991 427 S CB -0.296 62.906 63.200 0.003 0.000 0.823 427 S HN 0.552 nan 8.310 nan 0.000 0.469 428 R N 1.555 122.047 120.500 -0.013 0.000 2.066 428 R HA 0.041 4.385 4.340 0.007 0.000 0.232 428 R C 1.843 178.150 176.300 0.012 0.000 1.131 428 R CA 1.288 57.396 56.100 0.013 0.000 0.955 428 R CB -0.434 29.887 30.300 0.034 0.000 0.851 428 R HN 0.361 nan 8.270 nan 0.000 0.432 429 N N 0.866 119.561 118.700 -0.009 0.000 2.244 429 N HA -0.125 4.619 4.740 0.007 0.000 0.183 429 N C 1.712 177.208 175.510 -0.024 0.000 1.016 429 N CA 0.843 53.882 53.050 -0.018 0.000 0.866 429 N CB -0.125 38.347 38.487 -0.025 0.000 0.980 429 N HN 0.066 nan 8.380 nan 0.000 0.430 430 L N 0.974 122.179 121.223 -0.030 0.000 2.093 430 L HA 0.025 4.369 4.340 0.007 0.000 0.208 430 L C 2.276 179.178 176.870 0.054 0.000 1.085 430 L CA 1.333 56.164 54.840 -0.014 0.000 0.755 430 L CB -1.121 40.913 42.059 -0.041 0.000 0.904 430 L HN 0.139 nan 8.230 nan 0.000 0.435 431 G N -1.094 107.738 108.800 0.054 0.000 2.418 431 G HA2 -0.256 3.708 3.960 0.007 0.000 0.217 431 G HA3 -0.256 3.708 3.960 0.007 0.000 0.217 431 G C 1.707 176.734 174.900 0.212 0.000 1.158 431 G CA 0.606 45.829 45.100 0.204 0.000 0.771 431 G HN 0.326 nan 8.290 nan 0.000 0.545 432 K N 0.070 120.518 120.400 0.081 0.000 2.097 432 K HA -0.041 4.283 4.320 0.007 0.000 0.206 432 K C 2.555 179.083 176.600 -0.119 0.000 1.049 432 K CA 1.066 57.352 56.287 -0.001 0.000 0.933 432 K CB -0.313 32.161 32.500 -0.043 0.000 0.717 432 K HN 0.249 nan 8.250 nan 0.000 0.442 433 V N 0.933 120.778 119.914 -0.115 0.000 2.392 433 V HA -0.207 3.917 4.120 0.007 0.000 0.249 433 V C 2.409 178.396 176.094 -0.179 0.000 1.059 433 V CA 2.165 64.367 62.300 -0.163 0.000 1.051 433 V CB -1.030 30.769 31.823 -0.039 0.000 0.658 433 V HN 0.481 nan 8.190 nan 0.000 0.455 434 G N 0.319 109.032 108.800 -0.146 0.000 2.418 434 G HA2 -0.256 3.708 3.960 0.007 0.000 0.217 434 G HA3 -0.256 3.708 3.960 0.007 0.000 0.217 434 G C 1.762 176.073 174.900 -0.983 0.000 1.158 434 G CA 1.280 46.110 45.100 -0.450 0.000 0.771 434 G HN 0.674 nan 8.290 nan 0.000 0.545 435 S N -0.508 114.755 115.700 -0.729 0.000 2.562 435 S HA 0.091 4.565 4.470 0.007 0.000 0.221 435 S C 1.878 176.354 174.600 -0.207 0.000 0.975 435 S CA 1.016 58.905 58.200 -0.518 0.000 0.918 435 S CB 0.385 63.652 63.200 0.112 0.000 0.772 435 S HN 0.207 nan 8.310 nan 0.000 0.531 436 K N -0.171 120.100 120.400 -0.215 0.000 2.334 436 K HA 0.331 4.655 4.320 0.007 0.000 0.195 436 K C 1.780 178.340 176.600 -0.068 0.000 1.045 436 K CA 0.720 56.947 56.287 -0.099 0.000 1.004 436 K CB -0.607 31.748 32.500 -0.241 0.000 0.837 436 K HN 0.690 nan 8.250 nan 0.000 0.510 437 c N -0.913 117.545 118.600 -0.237 0.000 2.464 437 c HA 0.161 4.735 4.570 0.007 0.000 0.348 437 c C 2.554 176.443 174.090 -0.335 0.000 1.367 437 c CA -0.358 55.715 56.329 -0.427 0.000 2.012 437 c CB -0.594 41.759 42.510 -0.263 0.000 2.434 437 c HN 0.623 nan 8.230 nan 0.000 0.536 438 c N 1.625 120.054 118.600 -0.285 0.000 2.413 438 c HA -0.068 4.505 4.570 0.007 0.000 0.292 438 c C 2.320 176.389 174.090 -0.036 0.000 1.435 438 c CA 1.050 57.258 56.329 -0.200 0.000 1.791 438 c CB -1.188 41.110 42.510 -0.355 0.000 1.784 438 c HN 0.545 nan 8.230 nan 0.000 0.548 439 K N 0.213 120.646 120.400 0.055 0.000 2.459 439 K HA 0.106 4.430 4.320 0.007 0.000 0.193 439 K C 0.517 177.254 176.600 0.229 0.000 1.030 439 K CA 0.375 56.755 56.287 0.154 0.000 1.026 439 K CB -0.359 32.233 32.500 0.154 0.000 0.809 439 K HN 0.723 nan 8.250 nan 0.000 0.504 440 H N 0.862 119.927 119.070 -0.007 0.000 2.505 440 H HA 0.199 4.759 4.556 0.007 0.000 0.355 440 H C -2.119 173.208 175.328 -0.000 0.000 1.179 440 H CA -2.253 53.796 56.048 0.001 0.000 1.343 440 H CB 0.551 30.316 29.762 0.005 0.000 1.501 440 H HN -0.159 nan 8.280 nan 0.000 0.569 441 P HA -0.021 nan 4.420 nan 0.000 0.272 441 P C 0.780 178.122 177.300 0.070 0.000 1.223 441 P CA -0.096 63.047 63.100 0.072 0.000 0.784 441 P CB 0.949 32.676 31.700 0.044 0.000 0.923 442 E N 1.869 122.096 120.200 0.045 0.000 2.113 442 E HA -0.352 4.002 4.350 0.007 0.000 0.210 442 E C 1.797 178.422 176.600 0.042 0.000 1.040 442 E CA 2.104 58.525 56.400 0.035 0.000 0.847 442 E CB -0.493 29.226 29.700 0.031 0.000 0.755 442 E HN 0.535 nan 8.360 nan 0.000 0.459 443 A N 0.135 122.981 122.820 0.043 0.000 2.148 443 A HA -0.239 4.085 4.320 0.007 0.000 0.222 443 A C 2.100 179.711 177.584 0.045 0.000 1.161 443 A CA 2.543 54.606 52.037 0.043 0.000 0.662 443 A CB -0.639 18.375 19.000 0.023 0.000 0.799 443 A HN 0.307 nan 8.150 nan 0.000 0.466 444 K N -0.678 119.758 120.400 0.060 0.000 2.402 444 K HA 0.290 4.613 4.320 0.007 0.000 0.203 444 K C 1.757 178.373 176.600 0.028 0.000 1.077 444 K CA 0.445 56.776 56.287 0.073 0.000 1.051 444 K CB -0.252 32.342 32.500 0.157 0.000 0.907 444 K HN 0.580 nan 8.250 nan 0.000 0.554 445 R N -0.185 120.313 120.500 -0.003 0.000 2.082 445 R HA 0.025 4.369 4.340 0.007 0.000 0.234 445 R C 2.436 178.696 176.300 -0.066 0.000 1.136 445 R CA 1.924 57.979 56.100 -0.074 0.000 0.935 445 R CB -0.361 29.907 30.300 -0.053 0.000 0.842 445 R HN 0.401 nan 8.270 nan 0.000 0.430 446 M N 0.374 119.954 119.600 -0.033 0.000 2.106 446 M HA -0.123 4.360 4.480 0.007 0.000 0.259 446 M C -0.890 175.387 176.300 -0.040 0.000 1.068 446 M CA 1.941 57.219 55.300 -0.037 0.000 1.100 446 M CB -0.740 31.841 32.600 -0.031 0.000 1.351 446 M HN -0.029 nan 8.290 nan 0.000 0.404 447 P HA -0.120 nan 4.420 nan 0.000 0.217 447 P C 1.639 178.897 177.300 -0.069 0.000 1.150 447 P CA 1.093 64.165 63.100 -0.047 0.000 0.832 447 P CB -0.211 31.466 31.700 -0.038 0.000 0.787 448 c N -0.191 118.364 118.600 -0.075 0.000 2.442 448 c HA -0.063 4.511 4.570 0.007 0.000 0.279 448 c C 2.828 176.894 174.090 -0.040 0.000 1.237 448 c CA 1.626 57.896 56.329 -0.097 0.000 1.722 448 c CB -1.616 40.788 42.510 -0.177 0.000 2.056 448 c HN 0.212 nan 8.230 nan 0.000 0.469 449 A N 0.116 122.922 122.820 -0.022 0.000 1.892 449 A HA -0.286 4.038 4.320 0.007 0.000 0.218 449 A C 2.171 179.765 177.584 0.017 0.000 1.188 449 A CA 2.264 54.313 52.037 0.020 0.000 0.631 449 A CB -1.127 17.867 19.000 -0.011 0.000 0.822 449 A HN 0.843 nan 8.150 nan 0.000 0.447 450 E N -0.594 119.595 120.200 -0.018 0.000 2.070 450 E HA -0.295 4.059 4.350 0.007 0.000 0.197 450 E C 1.722 178.312 176.600 -0.017 0.000 1.004 450 E CA 1.572 57.964 56.400 -0.014 0.000 0.805 450 E CB -0.252 29.437 29.700 -0.020 0.000 0.744 450 E HN 0.581 nan 8.360 nan 0.000 0.451 451 D N -1.000 119.352 120.400 -0.078 0.000 2.117 451 D HA -0.147 4.497 4.640 0.007 0.000 0.198 451 D C 1.705 177.922 176.300 -0.139 0.000 0.982 451 D CA 0.967 54.878 54.000 -0.149 0.000 0.828 451 D CB -0.035 40.584 40.800 -0.301 0.000 0.967 451 D HN 0.298 nan 8.370 nan 0.000 0.464 452 Y N -0.036 120.264 120.300 0.000 0.000 2.365 452 Y HA -0.004 4.550 4.550 0.006 0.000 0.293 452 Y C 2.034 177.924 175.900 -0.017 0.000 1.119 452 Y CA 0.095 58.193 58.100 -0.004 0.000 1.203 452 Y CB -0.311 38.140 38.460 -0.015 0.000 1.026 452 Y HN -0.027 nan 8.280 nan 0.000 0.549 453 L N -0.188 121.108 121.223 0.122 0.000 2.109 453 L HA -0.160 4.184 4.340 0.007 0.000 0.207 453 L C 2.597 179.476 176.870 0.014 0.000 1.086 453 L CA 1.923 56.789 54.840 0.042 0.000 0.760 453 L CB -1.189 40.882 42.059 0.020 0.000 0.910 453 L HN 0.293 nan 8.230 nan 0.000 0.437 454 S N -1.581 114.133 115.700 0.024 0.000 2.370 454 S HA -0.206 4.268 4.470 0.007 0.000 0.226 454 S C 2.103 176.713 174.600 0.016 0.000 1.033 454 S CA 1.542 59.751 58.200 0.016 0.000 1.011 454 S CB -1.377 61.833 63.200 0.016 0.000 0.852 454 S HN 0.310 nan 8.310 nan 0.000 0.457 455 V N 1.782 121.718 119.914 0.036 0.000 2.270 455 V HA -0.088 4.036 4.120 0.007 0.000 0.245 455 V C 2.321 178.429 176.094 0.023 0.000 1.043 455 V CA 2.093 64.419 62.300 0.044 0.000 1.014 455 V CB -0.786 31.089 31.823 0.087 0.000 0.645 455 V HN 0.457 nan 8.190 nan 0.000 0.447 456 V N 0.072 119.995 119.914 0.015 0.000 2.469 456 V HA -0.202 3.922 4.120 0.007 0.000 0.251 456 V C 2.571 178.607 176.094 -0.097 0.000 1.064 456 V CA 2.070 64.349 62.300 -0.035 0.000 1.066 456 V CB -0.807 30.987 31.823 -0.047 0.000 0.667 456 V HN 0.504 nan 8.190 nan 0.000 0.461 457 L N 0.139 121.298 121.223 -0.106 0.000 2.240 457 L HA -0.006 4.338 4.340 0.007 0.000 0.211 457 L C 2.047 178.873 176.870 -0.073 0.000 1.106 457 L CA 1.576 56.315 54.840 -0.169 0.000 0.793 457 L CB -1.148 40.831 42.059 -0.133 0.000 0.927 457 L HN 0.387 nan 8.230 nan 0.000 0.446 458 N N -1.028 117.661 118.700 -0.019 0.000 2.207 458 N HA -0.188 4.556 4.740 0.007 0.000 0.182 458 N C 1.857 177.374 175.510 0.012 0.000 1.020 458 N CA 0.979 54.039 53.050 0.016 0.000 0.858 458 N CB -0.022 38.480 38.487 0.024 0.000 0.991 458 N HN 0.369 nan 8.380 nan 0.000 0.427 459 Q N 0.046 119.845 119.800 -0.000 0.000 2.077 459 Q HA -0.201 4.143 4.340 0.007 0.000 0.206 459 Q C 1.978 177.975 176.000 -0.005 0.000 0.989 459 Q CA 1.470 57.276 55.803 0.005 0.000 0.853 459 Q CB -0.305 28.433 28.738 0.001 0.000 0.907 459 Q HN 0.424 nan 8.270 nan 0.000 0.418 460 L N 0.757 121.951 121.223 -0.049 0.000 2.012 460 L HA -0.196 4.148 4.340 0.007 0.000 0.210 460 L C 2.391 179.269 176.870 0.013 0.000 1.073 460 L CA 1.992 56.790 54.840 -0.070 0.000 0.748 460 L CB -1.012 40.917 42.059 -0.217 0.000 0.891 460 L HN 0.401 nan 8.230 nan 0.000 0.431 461 c N -1.815 116.807 118.600 0.037 0.000 2.425 461 c HA -0.098 4.476 4.570 0.007 0.000 0.277 461 c C 2.717 176.883 174.090 0.126 0.000 1.280 461 c CA 0.739 57.139 56.329 0.118 0.000 1.744 461 c CB -0.838 41.747 42.510 0.126 0.000 1.989 461 c HN 0.510 nan 8.230 nan 0.000 0.491 462 V N 1.247 121.207 119.914 0.078 0.000 2.223 462 V HA -0.239 3.885 4.120 0.007 0.000 0.244 462 V C 2.378 178.511 176.094 0.066 0.000 1.045 462 V CA 2.136 64.473 62.300 0.061 0.000 1.000 462 V CB -0.761 31.087 31.823 0.042 0.000 0.635 462 V HN 0.529 nan 8.190 nan 0.000 0.445 463 L N -0.408 120.853 121.223 0.062 0.000 2.103 463 L HA -0.308 4.036 4.340 0.007 0.000 0.215 463 L C 2.575 179.491 176.870 0.076 0.000 1.080 463 L CA 2.239 57.113 54.840 0.056 0.000 0.764 463 L CB -0.998 41.091 42.059 0.051 0.000 0.890 463 L HN 0.519 nan 8.230 nan 0.000 0.435 464 H N 0.121 119.203 119.070 0.019 0.000 2.436 464 H HA -0.100 4.460 4.556 0.008 0.000 0.294 464 H C 2.261 177.605 175.328 0.026 0.000 1.048 464 H CA 1.449 57.514 56.048 0.028 0.000 1.353 464 H CB 0.480 30.271 29.762 0.049 0.000 1.414 464 H HN 0.471 nan 8.280 nan 0.000 0.536 465 E N 1.286 121.524 120.200 0.063 0.000 2.051 465 E HA -0.214 4.140 4.350 0.007 0.000 0.192 465 E C 2.400 178.973 176.600 -0.045 0.000 0.991 465 E CA 2.104 58.512 56.400 0.013 0.000 0.799 465 E CB -1.016 28.705 29.700 0.036 0.000 0.748 465 E HN 0.701 nan 8.360 nan 0.000 0.449 466 K N 0.195 120.577 120.400 -0.030 0.000 1.991 466 K HA -0.039 4.285 4.320 0.007 0.000 0.212 466 K C 1.892 178.450 176.600 -0.070 0.000 1.049 466 K CA 1.803 58.069 56.287 -0.036 0.000 0.932 466 K CB -0.991 31.499 32.500 -0.016 0.000 0.717 466 K HN 0.474 nan 8.250 nan 0.000 0.441 467 T N 1.967 116.460 114.554 -0.102 0.000 3.390 467 T HA 0.356 4.710 4.350 0.007 0.000 0.315 467 T C -2.767 171.770 174.700 -0.271 0.000 1.799 467 T CA -1.343 60.681 62.100 -0.127 0.000 1.553 467 T CB 1.085 69.913 68.868 -0.067 0.000 1.002 467 T HN 0.161 nan 8.240 nan 0.000 0.715 468 P HA 0.044 nan 4.420 nan 0.000 0.261 468 P C 0.356 177.474 177.300 -0.304 0.000 1.165 468 P CA 0.284 63.033 63.100 -0.585 0.000 0.759 468 P CB 0.724 32.268 31.700 -0.260 0.000 0.772 469 V N 1.342 121.149 119.914 -0.177 0.000 3.426 469 V HA 0.158 4.282 4.120 0.007 0.000 0.279 469 V C 0.376 176.596 176.094 0.209 0.000 1.544 469 V CA 0.434 62.792 62.300 0.097 0.000 1.017 469 V CB 0.910 32.810 31.823 0.128 0.000 0.821 469 V HN 0.571 nan 8.190 nan 0.000 0.432 470 S N 0.518 116.437 115.700 0.364 0.000 2.566 470 S HA 0.254 4.728 4.470 0.007 0.000 0.273 470 S C 0.411 175.117 174.600 0.176 0.000 1.157 470 S CA -0.063 58.258 58.200 0.203 0.000 0.938 470 S CB 1.732 65.006 63.200 0.124 0.000 1.087 470 S HN 0.484 nan 8.310 nan 0.000 0.474 471 D N 4.647 125.104 120.400 0.096 0.000 2.117 471 D HA -0.163 4.481 4.640 0.007 0.000 0.198 471 D C 1.450 177.759 176.300 0.016 0.000 0.982 471 D CA 0.859 54.897 54.000 0.062 0.000 0.828 471 D CB -0.141 40.682 40.800 0.038 0.000 0.967 471 D HN 0.562 nan 8.370 nan 0.000 0.464 472 R N 0.589 121.083 120.500 -0.010 0.000 2.091 472 R HA -0.063 4.281 4.340 0.007 0.000 0.238 472 R C 2.707 178.916 176.300 -0.151 0.000 1.136 472 R CA 1.249 57.307 56.100 -0.069 0.000 0.959 472 R CB -0.500 29.769 30.300 -0.052 0.000 0.856 472 R HN 0.108 nan 8.270 nan 0.000 0.437 473 V N 0.360 120.187 119.914 -0.147 0.000 2.407 473 V HA -0.219 3.905 4.120 0.007 0.000 0.248 473 V C 1.977 177.940 176.094 -0.217 0.000 1.055 473 V CA 2.156 64.301 62.300 -0.258 0.000 1.049 473 V CB -0.523 30.987 31.823 -0.521 0.000 0.662 473 V HN 0.413 nan 8.190 nan 0.000 0.455 474 T N -0.788 113.734 114.554 -0.054 0.000 2.951 474 T HA -0.150 4.204 4.350 0.007 0.000 0.268 474 T C 1.921 176.616 174.700 -0.009 0.000 1.073 474 T CA 1.255 63.396 62.100 0.069 0.000 1.134 474 T CB -0.073 68.893 68.868 0.162 0.000 0.884 474 T HN 0.436 nan 8.240 nan 0.000 0.479 475 K N 0.433 120.792 120.400 -0.068 0.000 2.001 475 K HA -0.080 4.244 4.320 0.007 0.000 0.208 475 K C 2.440 178.955 176.600 -0.142 0.000 1.048 475 K CA 1.220 57.457 56.287 -0.084 0.000 0.932 475 K CB -0.379 32.064 32.500 -0.094 0.000 0.715 475 K HN 0.288 nan 8.250 nan 0.000 0.437 476 c N 0.614 119.032 118.600 -0.303 0.000 2.413 476 c HA -0.157 4.417 4.570 0.007 0.000 0.276 476 c C 2.924 176.885 174.090 -0.214 0.000 1.248 476 c CA 0.571 56.614 56.329 -0.476 0.000 1.742 476 c CB -0.972 40.747 42.510 -1.318 0.000 2.017 476 c HN 0.652 nan 8.230 nan 0.000 0.481 477 c N 0.785 119.333 118.600 -0.086 0.000 2.435 477 c HA -0.071 4.503 4.570 0.007 0.000 0.279 477 c C 2.783 176.926 174.090 0.089 0.000 1.321 477 c CA 1.918 58.303 56.329 0.094 0.000 1.752 477 c CB -1.534 41.057 42.510 0.136 0.000 1.959 477 c HN 0.837 nan 8.230 nan 0.000 0.500 478 T N -1.950 112.636 114.554 0.053 0.000 3.044 478 T HA 0.066 4.420 4.350 0.007 0.000 0.250 478 T C 0.453 175.210 174.700 0.094 0.000 1.081 478 T CA 0.227 62.373 62.100 0.077 0.000 1.040 478 T CB 0.056 68.954 68.868 0.051 0.000 0.962 478 T HN 0.488 nan 8.240 nan 0.000 0.506 479 E N 2.441 122.668 120.200 0.044 0.000 2.569 479 E HA 0.227 4.581 4.350 0.007 0.000 0.258 479 E C 0.226 176.864 176.600 0.063 0.000 1.390 479 E CA -0.034 56.383 56.400 0.029 0.000 1.049 479 E CB 0.359 30.036 29.700 -0.038 0.000 1.009 479 E HN 0.278 nan 8.360 nan 0.000 0.580 480 S N -0.246 115.451 115.700 -0.006 0.000 2.549 480 S HA 0.102 4.576 4.470 0.007 0.000 0.286 480 S C 1.503 175.987 174.600 -0.192 0.000 1.314 480 S CA 0.152 58.272 58.200 -0.134 0.000 1.062 480 S CB 0.021 63.137 63.200 -0.141 0.000 0.865 480 S HN 0.706 nan 8.310 nan 0.000 0.498 481 L N 5.527 126.500 121.223 -0.416 0.000 2.263 481 L HA 0.010 4.354 4.340 0.007 0.000 0.216 481 L C 2.467 179.243 176.870 -0.156 0.000 1.111 481 L CA 2.362 57.054 54.840 -0.245 0.000 0.773 481 L CB -1.704 40.146 42.059 -0.348 0.000 0.906 481 L HN 0.844 nan 8.230 nan 0.000 0.439 482 V N -0.269 119.531 119.914 -0.189 0.000 3.129 482 V HA -0.095 4.029 4.120 0.007 0.000 0.259 482 V C 1.730 177.775 176.094 -0.082 0.000 1.116 482 V CA 1.322 63.553 62.300 -0.115 0.000 1.127 482 V CB -0.618 31.132 31.823 -0.122 0.000 0.742 482 V HN 0.872 nan 8.190 nan 0.000 0.474 483 N N -0.334 118.318 118.700 -0.080 0.000 2.184 483 N HA 0.103 4.847 4.740 0.007 0.000 0.206 483 N C 1.702 177.191 175.510 -0.034 0.000 1.151 483 N CA -0.081 52.936 53.050 -0.056 0.000 0.878 483 N CB 0.470 38.921 38.487 -0.060 0.000 1.014 483 N HN 0.420 nan 8.380 nan 0.000 0.512 484 R N 1.494 121.990 120.500 -0.007 0.000 2.070 484 R HA -0.009 4.335 4.340 0.007 0.000 0.232 484 R C 2.194 178.583 176.300 0.148 0.000 1.138 484 R CA 1.232 57.369 56.100 0.061 0.000 0.936 484 R CB 0.055 30.419 30.300 0.108 0.000 0.839 484 R HN -0.050 nan 8.270 nan 0.000 0.429 485 R N 0.211 120.787 120.500 0.126 0.000 2.081 485 R HA -0.051 4.293 4.340 0.007 0.000 0.235 485 R C -0.850 175.517 176.300 0.113 0.000 1.131 485 R CA 1.555 57.744 56.100 0.149 0.000 0.960 485 R CB -1.334 29.005 30.300 0.065 0.000 0.856 485 R HN 0.275 nan 8.270 nan 0.000 0.436 486 P HA -0.116 nan 4.420 nan 0.000 0.216 486 P C 1.648 178.949 177.300 0.001 0.000 1.150 486 P CA 0.987 64.094 63.100 0.012 0.000 0.837 486 P CB -0.266 31.422 31.700 -0.020 0.000 0.786 487 c N -1.862 116.712 118.600 -0.043 0.000 2.413 487 c HA -0.158 4.416 4.570 0.007 0.000 0.276 487 c C 2.374 176.355 174.090 -0.182 0.000 1.248 487 c CA 0.807 57.049 56.329 -0.146 0.000 1.742 487 c CB -2.161 40.198 42.510 -0.252 0.000 2.017 487 c HN 0.066 nan 8.230 nan 0.000 0.481 488 F N 1.112 121.046 119.950 -0.028 0.000 2.259 488 F HA -0.015 4.518 4.527 0.009 0.000 0.298 488 F C 2.756 178.560 175.800 0.006 0.000 1.088 488 F CA 1.728 59.709 58.000 -0.031 0.000 1.358 488 F CB -0.627 38.334 39.000 -0.065 0.000 1.040 488 F HN 0.116 nan 8.300 nan 0.000 0.505 489 S N -0.464 115.342 115.700 0.177 0.000 2.423 489 S HA -0.054 4.419 4.470 0.007 0.000 0.231 489 S C 2.019 176.670 174.600 0.084 0.000 1.014 489 S CA 0.866 59.144 58.200 0.129 0.000 0.965 489 S CB -0.404 62.847 63.200 0.085 0.000 0.785 489 S HN 0.298 nan 8.310 nan 0.000 0.495 490 A N 0.547 123.393 122.820 0.045 0.000 2.278 490 A HA 0.385 4.709 4.320 0.007 0.000 0.212 490 A C 0.468 178.062 177.584 0.017 0.000 1.213 490 A CA -0.132 51.916 52.037 0.018 0.000 0.840 490 A CB -0.227 18.767 19.000 -0.010 0.000 0.866 490 A HN 0.373 nan 8.150 nan 0.000 0.489 491 L N 0.818 122.067 121.223 0.043 0.000 2.349 491 L HA 0.287 4.631 4.340 0.007 0.000 0.275 491 L C 0.272 177.174 176.870 0.053 0.000 1.115 491 L CA -0.071 54.795 54.840 0.043 0.000 0.820 491 L CB 0.900 43.008 42.059 0.082 0.000 1.135 491 L HN 0.356 nan 8.230 nan 0.000 0.445 492 E N 1.229 121.450 120.200 0.034 0.000 2.299 492 E HA 0.410 4.764 4.350 0.007 0.000 0.260 492 E C -0.881 175.736 176.600 0.030 0.000 0.944 492 E CA -1.087 55.330 56.400 0.028 0.000 0.815 492 E CB 2.060 31.771 29.700 0.019 0.000 1.252 492 E HN 0.191 nan 8.360 nan 0.000 0.418 493 V N 1.689 121.616 119.914 0.022 0.000 2.953 493 V HA -0.126 3.998 4.120 0.007 0.000 0.304 493 V C 0.283 176.397 176.094 0.034 0.000 1.138 493 V CA 0.687 63.001 62.300 0.023 0.000 1.266 493 V CB 0.186 32.020 31.823 0.018 0.000 0.923 493 V HN 0.656 nan 8.190 nan 0.000 0.505 494 D N 3.372 123.797 120.400 0.042 0.000 2.365 494 D HA 0.100 4.744 4.640 0.007 0.000 0.237 494 D C 0.949 177.306 176.300 0.095 0.000 1.190 494 D CA -0.248 53.792 54.000 0.066 0.000 0.867 494 D CB 1.184 42.026 40.800 0.070 0.000 1.050 494 D HN 0.543 nan 8.370 nan 0.000 0.491 495 E N 1.843 122.087 120.200 0.073 0.000 2.107 495 E HA -0.076 4.278 4.350 0.007 0.000 0.191 495 E C 1.595 178.241 176.600 0.076 0.000 0.982 495 E CA 0.839 57.279 56.400 0.066 0.000 0.809 495 E CB 0.057 29.782 29.700 0.041 0.000 0.756 495 E HN 0.508 nan 8.360 nan 0.000 0.459 496 T N 0.762 115.366 114.554 0.084 0.000 2.788 496 T HA -0.180 4.174 4.350 0.007 0.000 0.268 496 T C 0.778 175.538 174.700 0.099 0.000 1.044 496 T CA 0.451 62.597 62.100 0.077 0.000 1.139 496 T CB -0.483 68.430 68.868 0.075 0.000 0.867 496 T HN 0.149 nan 8.240 nan 0.000 0.454 497 Y N 3.040 123.354 120.300 0.024 0.000 2.969 497 Y HA 0.105 4.659 4.550 0.006 0.000 0.339 497 Y C -0.348 175.569 175.900 0.027 0.000 1.272 497 Y CA -0.646 57.472 58.100 0.029 0.000 1.577 497 Y CB 0.111 38.592 38.460 0.034 0.000 1.234 497 Y HN -0.114 nan 8.280 nan 0.000 0.590 498 V N 9.560 129.021 119.914 -0.755 0.000 2.347 498 V HA 0.277 4.401 4.120 0.007 0.000 0.280 498 V C -1.946 173.533 176.094 -1.025 0.000 1.021 498 V CA -2.066 59.868 62.300 -0.610 0.000 0.847 498 V CB 0.999 32.641 31.823 -0.303 0.000 0.990 498 V HN 0.751 nan 8.190 nan 0.000 0.444 499 P HA -0.008 nan 4.420 nan 0.000 0.263 499 P C -0.051 177.235 177.300 -0.024 0.000 1.175 499 P CA 0.017 62.985 63.100 -0.220 0.000 0.761 499 P CB 0.341 32.014 31.700 -0.046 0.000 0.794 500 K N 1.299 121.823 120.400 0.206 0.000 2.489 500 K HA 0.025 4.349 4.320 0.007 0.000 0.278 500 K C 0.591 177.353 176.600 0.271 0.000 1.000 500 K CA -0.215 56.198 56.287 0.209 0.000 1.012 500 K CB -0.089 32.546 32.500 0.225 0.000 0.903 500 K HN 0.621 nan 8.250 nan 0.000 0.485 501 E N 1.973 122.267 120.200 0.157 0.000 2.452 501 E HA 0.003 4.357 4.350 0.007 0.000 0.261 501 E C -0.065 176.601 176.600 0.110 0.000 0.987 501 E CA -0.272 56.231 56.400 0.172 0.000 0.926 501 E CB -0.002 29.753 29.700 0.092 0.000 0.934 501 E HN 0.378 nan 8.360 nan 0.000 0.452 502 F N 4.586 124.517 119.950 -0.033 0.000 2.602 502 F HA 0.190 4.721 4.527 0.006 0.000 0.367 502 F C 0.511 176.238 175.800 -0.121 0.000 1.126 502 F CA 0.409 58.205 58.000 -0.341 0.000 1.321 502 F CB 0.533 39.405 39.000 -0.213 0.000 1.094 502 F HN 0.521 nan 8.300 nan 0.000 0.594 503 N N 4.291 122.230 118.700 -1.269 0.000 2.480 503 N HA 0.350 5.094 4.740 0.007 0.000 0.289 503 N C 0.135 174.985 175.510 -1.100 0.000 1.073 503 N CA 0.184 52.696 53.050 -0.896 0.000 0.885 503 N CB 1.947 40.137 38.487 -0.495 0.000 1.421 503 N HN 0.805 nan 8.380 nan 0.000 0.503 504 A N 3.630 126.060 122.820 -0.649 0.000 1.865 504 A HA -0.199 4.125 4.320 0.007 0.000 0.217 504 A C 1.993 179.494 177.584 -0.139 0.000 1.191 504 A CA 2.689 54.607 52.037 -0.199 0.000 0.623 504 A CB -1.183 17.854 19.000 0.062 0.000 0.826 504 A HN 0.828 nan 8.150 nan 0.000 0.444 505 E N -0.954 119.147 120.200 -0.166 0.000 2.070 505 E HA -0.253 4.101 4.350 0.007 0.000 0.197 505 E C 1.972 178.423 176.600 -0.247 0.000 1.004 505 E CA 2.229 58.544 56.400 -0.142 0.000 0.805 505 E CB -2.002 27.617 29.700 -0.134 0.000 0.744 505 E HN 0.623 nan 8.360 nan 0.000 0.451 506 T N -0.472 113.834 114.554 -0.414 0.000 2.848 506 T HA -0.092 4.262 4.350 0.007 0.000 0.269 506 T C 0.636 174.865 174.700 -0.785 0.000 1.081 506 T CA 1.392 63.107 62.100 -0.642 0.000 1.125 506 T CB -0.338 68.001 68.868 -0.882 0.000 0.848 506 T HN 0.457 nan 8.240 nan 0.000 0.503 507 F N 0.546 120.408 119.950 -0.147 0.000 2.683 507 F HA 0.291 4.822 4.527 0.006 0.000 0.306 507 F C 0.774 176.608 175.800 0.057 0.000 1.102 507 F CA -0.733 57.282 58.000 0.023 0.000 1.244 507 F CB 0.000 39.118 39.000 0.197 0.000 1.029 507 F HN -0.167 nan 8.300 nan 0.000 0.545 508 T N 1.552 116.084 114.554 -0.037 0.000 2.806 508 T HA 0.471 4.825 4.350 0.007 0.000 0.290 508 T C -0.728 173.878 174.700 -0.157 0.000 0.966 508 T CA 0.103 62.243 62.100 0.066 0.000 1.060 508 T CB 0.679 69.589 68.868 0.070 0.000 0.927 508 T HN -0.174 nan 8.240 nan 0.000 0.485 509 F N 1.758 121.884 119.950 0.294 0.000 2.529 509 F HA 0.496 5.026 4.527 0.006 0.000 0.320 509 F C 0.436 176.268 175.800 0.054 0.000 1.118 509 F CA -1.040 57.172 58.000 0.355 0.000 0.915 509 F CB 1.501 40.868 39.000 0.612 0.000 1.161 509 F HN 0.557 nan 8.300 nan 0.000 0.445 510 H N 0.215 119.303 119.070 0.029 0.000 2.649 510 H HA 0.626 5.185 4.556 0.006 0.000 0.337 510 H C 0.742 175.600 175.328 -0.783 0.000 1.282 510 H CA -0.479 55.412 56.048 -0.262 0.000 1.333 510 H CB 0.969 30.656 29.762 -0.124 0.000 1.787 510 H HN 0.622 nan 8.280 nan 0.000 0.632 511 A N 0.327 122.789 122.820 -0.597 0.000 2.070 511 A HA -0.179 4.145 4.320 0.007 0.000 0.220 511 A C 1.663 179.062 177.584 -0.309 0.000 1.159 511 A CA 1.554 53.217 52.037 -0.624 0.000 0.656 511 A CB -0.800 18.051 19.000 -0.249 0.000 0.800 511 A HN 0.880 nan 8.150 nan 0.000 0.453 512 D N 0.005 120.302 120.400 -0.170 0.000 2.271 512 D HA -0.173 4.471 4.640 0.007 0.000 0.207 512 D C 1.737 177.998 176.300 -0.064 0.000 0.983 512 D CA 1.483 55.431 54.000 -0.088 0.000 0.878 512 D CB -0.796 39.965 40.800 -0.065 0.000 0.920 512 D HN 0.339 nan 8.370 nan 0.000 0.479 513 I N 0.875 121.395 120.570 -0.084 0.000 2.493 513 I HA -0.200 3.974 4.170 0.007 0.000 0.254 513 I C 2.375 178.499 176.117 0.011 0.000 1.160 513 I CA 0.785 62.095 61.300 0.016 0.000 1.445 513 I CB -1.028 37.038 38.000 0.110 0.000 1.086 513 I HN 0.394 nan 8.210 nan 0.000 0.433 514 c N 0.687 119.265 118.600 -0.036 0.000 2.464 514 c HA -0.042 4.532 4.570 0.007 0.000 0.278 514 c C 2.823 176.912 174.090 -0.002 0.000 1.375 514 c CA 1.230 57.561 56.329 0.004 0.000 1.761 514 c CB -1.809 40.710 42.510 0.015 0.000 1.944 514 c HN 0.788 nan 8.230 nan 0.000 0.509 515 T N -1.580 112.967 114.554 -0.013 0.000 3.051 515 T HA 0.203 4.557 4.350 0.007 0.000 0.255 515 T C 0.590 175.290 174.700 -0.001 0.000 1.085 515 T CA 0.161 62.257 62.100 -0.008 0.000 1.109 515 T CB -0.294 68.566 68.868 -0.014 0.000 0.921 515 T HN 0.362 nan 8.240 nan 0.000 0.488 516 L N 3.216 124.442 121.223 0.005 0.000 2.479 516 L HA 0.265 4.609 4.340 0.007 0.000 0.270 516 L C 1.132 178.010 176.870 0.012 0.000 1.236 516 L CA -0.517 54.331 54.840 0.013 0.000 0.823 516 L CB 0.376 42.452 42.059 0.027 0.000 1.098 516 L HN 0.407 nan 8.230 nan 0.000 0.500 517 S N 0.033 115.740 115.700 0.012 0.000 2.614 517 S HA 0.090 4.564 4.470 0.007 0.000 0.265 517 S C 0.882 175.486 174.600 0.005 0.000 1.303 517 S CA -0.739 57.465 58.200 0.007 0.000 1.000 517 S CB 1.332 64.538 63.200 0.009 0.000 0.935 517 S HN 0.583 nan 8.310 nan 0.000 0.551 518 E N 1.395 121.590 120.200 -0.009 0.000 2.035 518 E HA -0.228 4.126 4.350 0.007 0.000 0.204 518 E C 1.842 178.436 176.600 -0.010 0.000 1.025 518 E CA 1.898 58.280 56.400 -0.030 0.000 0.835 518 E CB -0.649 29.024 29.700 -0.044 0.000 0.764 518 E HN 0.821 nan 8.360 nan 0.000 0.457 519 K N 0.641 121.047 120.400 0.010 0.000 2.071 519 K HA -0.296 4.028 4.320 0.007 0.000 0.217 519 K C 2.226 178.856 176.600 0.049 0.000 1.054 519 K CA 3.115 59.423 56.287 0.035 0.000 0.937 519 K CB -0.638 31.881 32.500 0.033 0.000 0.719 519 K HN 0.238 nan 8.250 nan 0.000 0.454 520 E N 0.923 121.148 120.200 0.042 0.000 2.031 520 E HA -0.212 4.142 4.350 0.007 0.000 0.193 520 E C 1.899 178.546 176.600 0.078 0.000 0.994 520 E CA 1.737 58.169 56.400 0.053 0.000 0.800 520 E CB -0.779 nan 29.700 nan 0.000 0.752 520 E HN 0.716 nan 8.360 nan 0.000 0.447 521 E N 0.305 120.546 120.200 0.068 0.000 2.085 521 E HA -0.262 4.092 4.350 0.007 0.000 0.194 521 E C 2.477 179.160 176.600 0.138 0.000 0.994 521 E CA 1.427 57.887 56.400 0.100 0.000 0.801 521 E CB -0.239 29.493 29.700 0.054 0.000 0.743 521 E HN 0.671 nan 8.360 nan 0.000 0.453 522 Q N 0.585 120.444 119.800 0.097 0.000 2.020 522 Q HA -0.123 4.221 4.340 0.007 0.000 0.202 522 Q C 2.413 178.559 176.000 0.242 0.000 0.982 522 Q CA 1.196 57.117 55.803 0.198 0.000 0.838 522 Q CB -0.204 28.641 28.738 0.179 0.000 0.899 522 Q HN 0.347 nan 8.270 nan 0.000 0.423 523 I N 1.048 121.718 120.570 0.167 0.000 2.454 523 I HA -0.278 3.895 4.170 0.007 0.000 0.254 523 I C 2.766 178.968 176.117 0.141 0.000 1.156 523 I CA 1.465 62.846 61.300 0.135 0.000 1.433 523 I CB -0.613 37.443 38.000 0.093 0.000 1.082 523 I HN 0.232 nan 8.210 nan 0.000 0.432 524 K N 1.484 121.986 120.400 0.170 0.000 2.062 524 K HA -0.137 4.187 4.320 0.007 0.000 0.205 524 K C 2.045 178.817 176.600 0.286 0.000 1.051 524 K CA 1.321 57.734 56.287 0.211 0.000 0.941 524 K CB -0.588 32.060 32.500 0.248 0.000 0.719 524 K HN 0.351 nan 8.250 nan 0.000 0.440 525 K N 0.265 120.845 120.400 0.299 0.000 2.062 525 K HA -0.087 4.237 4.320 0.007 0.000 0.205 525 K C 2.596 179.291 176.600 0.159 0.000 1.051 525 K CA 1.447 57.892 56.287 0.263 0.000 0.941 525 K CB 0.023 32.724 32.500 0.335 0.000 0.719 525 K HN 0.505 nan 8.250 nan 0.000 0.440 526 Q N -0.044 119.857 119.800 0.169 0.000 2.291 526 Q HA -0.093 4.251 4.340 0.007 0.000 0.206 526 Q C 1.698 177.742 176.000 0.073 0.000 0.976 526 Q CA 1.289 57.149 55.803 0.094 0.000 0.875 526 Q CB 0.018 28.810 28.738 0.091 0.000 0.927 526 Q HN 0.274 nan 8.270 nan 0.000 0.450 527 T N 0.490 115.099 114.554 0.091 0.000 2.896 527 T HA -0.009 4.345 4.350 0.007 0.000 0.263 527 T C 1.917 176.650 174.700 0.055 0.000 1.050 527 T CA 0.927 63.060 62.100 0.056 0.000 1.140 527 T CB -0.080 68.813 68.868 0.041 0.000 0.877 527 T HN 0.363 nan 8.240 nan 0.000 0.457 528 A N 1.554 124.442 122.820 0.112 0.000 1.898 528 A HA 0.016 4.340 4.320 0.007 0.000 0.216 528 A C 2.192 179.899 177.584 0.206 0.000 1.181 528 A CA 1.060 53.203 52.037 0.176 0.000 0.620 528 A CB -0.814 18.411 19.000 0.375 0.000 0.819 528 A HN 0.372 nan 8.150 nan 0.000 0.442 529 L N 0.224 121.511 121.223 0.107 0.000 1.990 529 L HA -0.161 4.183 4.340 0.007 0.000 0.213 529 L C 2.460 179.385 176.870 0.092 0.000 1.072 529 L CA 2.189 57.073 54.840 0.073 0.000 0.755 529 L CB -0.831 41.236 42.059 0.012 0.000 0.889 529 L HN 0.182 nan 8.230 nan 0.000 0.432 530 V N -0.190 119.764 119.914 0.066 0.000 2.287 530 V HA -0.276 3.848 4.120 0.007 0.000 0.248 530 V C 2.657 178.805 176.094 0.090 0.000 1.053 530 V CA 1.937 64.269 62.300 0.054 0.000 1.027 530 V CB -0.741 31.099 31.823 0.029 0.000 0.646 530 V HN 0.470 nan 8.190 nan 0.000 0.447 531 E N -0.280 119.978 120.200 0.096 0.000 2.153 531 E HA -0.190 4.164 4.350 0.007 0.000 0.194 531 E C 2.053 178.858 176.600 0.343 0.000 0.988 531 E CA 1.032 57.495 56.400 0.106 0.000 0.811 531 E CB -0.357 29.278 29.700 -0.108 0.000 0.746 531 E HN 0.489 nan 8.360 nan 0.000 0.466 532 L N 0.491 121.976 121.223 0.436 0.000 2.005 532 L HA -0.128 4.216 4.340 0.007 0.000 0.207 532 L C 2.281 179.323 176.870 0.288 0.000 1.072 532 L CA 1.435 56.545 54.840 0.451 0.000 0.744 532 L CB -0.799 41.396 42.059 0.226 0.000 0.895 532 L HN -0.114 nan 8.230 nan 0.000 0.433 533 V N 0.054 120.075 119.914 0.178 0.000 2.332 533 V HA -0.308 3.816 4.120 0.007 0.000 0.248 533 V C 2.591 178.784 176.094 0.164 0.000 1.055 533 V CA 2.066 64.439 62.300 0.122 0.000 1.038 533 V CB -0.816 31.041 31.823 0.056 0.000 0.651 533 V HN 0.466 nan 8.190 nan 0.000 0.450 534 K N -0.901 119.609 120.400 0.183 0.000 2.360 534 K HA -0.223 4.101 4.320 0.007 0.000 0.201 534 K C 2.074 178.918 176.600 0.406 0.000 1.046 534 K CA 1.467 57.895 56.287 0.234 0.000 0.940 534 K CB -0.177 32.431 32.500 0.180 0.000 0.748 534 K HN 0.587 nan 8.250 nan 0.000 0.465 535 H N -0.229 118.997 119.070 0.260 0.000 2.516 535 H HA 0.103 4.663 4.556 0.007 0.000 0.284 535 H C -0.299 175.144 175.328 0.191 0.000 0.999 535 H CA 0.704 56.906 56.048 0.257 0.000 1.303 535 H CB 0.799 30.768 29.762 0.346 0.000 1.452 535 H HN -0.271 nan 8.280 nan 0.000 0.530 536 K N 1.550 121.991 120.400 0.067 0.000 2.920 536 K HA 0.218 4.542 4.320 0.007 0.000 0.175 536 K C -2.428 174.196 176.600 0.040 0.000 1.099 536 K CA -0.599 55.667 56.287 -0.034 0.000 0.939 536 K CB 1.153 33.619 32.500 -0.055 0.000 1.148 536 K HN 0.370 nan 8.250 nan 0.000 0.613 537 P HA -0.108 nan 4.420 nan 0.000 0.230 537 P C 0.412 177.741 177.300 0.048 0.000 1.158 537 P CA 0.837 63.992 63.100 0.091 0.000 0.769 537 P CB 0.308 32.120 31.700 0.187 0.000 0.807 538 K N -0.363 120.052 120.400 0.026 0.000 2.404 538 K HA 0.277 4.601 4.320 0.007 0.000 0.194 538 K C 1.052 177.651 176.600 -0.002 0.000 1.023 538 K CA -0.298 55.995 56.287 0.010 0.000 1.094 538 K CB -0.036 32.464 32.500 0.001 0.000 0.841 538 K HN 0.051 nan 8.250 nan 0.000 0.523 539 A N 2.187 125.005 122.820 -0.003 0.000 2.462 539 A HA 0.208 4.532 4.320 0.007 0.000 0.243 539 A C 0.723 178.301 177.584 -0.010 0.000 1.076 539 A CA -0.081 51.950 52.037 -0.010 0.000 0.773 539 A CB -0.042 18.953 19.000 -0.008 0.000 1.010 539 A HN 0.347 nan 8.150 nan 0.000 0.493 540 T N -0.480 114.066 114.554 -0.012 0.000 2.847 540 T HA 0.568 4.922 4.350 0.007 0.000 0.279 540 T C 1.484 176.176 174.700 -0.014 0.000 0.984 540 T CA 0.107 62.199 62.100 -0.013 0.000 0.988 540 T CB 1.063 69.924 68.868 -0.012 0.000 1.040 540 T HN 1.003 nan 8.240 nan 0.000 0.528 541 K N 0.601 120.991 120.400 -0.016 0.000 2.074 541 K HA -0.166 4.158 4.320 0.007 0.000 0.209 541 K C 2.063 178.656 176.600 -0.012 0.000 1.048 541 K CA 2.134 58.411 56.287 -0.016 0.000 0.926 541 K CB -1.388 31.103 32.500 -0.015 0.000 0.713 541 K HN 0.787 nan 8.250 nan 0.000 0.444 542 E N 0.770 120.964 120.200 -0.010 0.000 2.031 542 E HA -0.182 4.172 4.350 0.007 0.000 0.193 542 E C 2.340 178.934 176.600 -0.010 0.000 0.994 542 E CA 1.444 57.839 56.400 -0.008 0.000 0.800 542 E CB -0.404 29.291 29.700 -0.008 0.000 0.752 542 E HN 0.773 nan 8.360 nan 0.000 0.447 543 Q N -0.032 119.760 119.800 -0.013 0.000 2.077 543 Q HA -0.183 4.161 4.340 0.007 0.000 0.206 543 Q C 2.201 178.192 176.000 -0.015 0.000 0.989 543 Q CA 1.006 56.800 55.803 -0.016 0.000 0.853 543 Q CB -0.218 28.508 28.738 -0.019 0.000 0.907 543 Q HN 0.142 nan 8.270 nan 0.000 0.418 544 L N 1.375 122.589 121.223 -0.014 0.000 1.961 544 L HA -0.206 4.137 4.340 0.007 0.000 0.210 544 L C 2.347 179.213 176.870 -0.006 0.000 1.072 544 L CA 1.856 56.688 54.840 -0.013 0.000 0.749 544 L CB -1.097 40.953 42.059 -0.015 0.000 0.889 544 L HN 0.190 nan 8.230 nan 0.000 0.432 545 K N -0.731 119.667 120.400 -0.003 0.000 2.242 545 K HA -0.264 4.060 4.320 0.007 0.000 0.206 545 K C 1.859 178.467 176.600 0.013 0.000 1.045 545 K CA 1.460 57.751 56.287 0.007 0.000 0.930 545 K CB -0.018 32.486 32.500 0.006 0.000 0.726 545 K HN 0.343 nan 8.250 nan 0.000 0.462 546 A N 0.594 123.416 122.820 0.004 0.000 1.835 546 A HA -0.123 4.201 4.320 0.007 0.000 0.215 546 A C 2.243 179.834 177.584 0.011 0.000 1.199 546 A CA 1.748 53.788 52.037 0.004 0.000 0.615 546 A CB -0.837 18.159 19.000 -0.007 0.000 0.838 546 A HN 0.146 nan 8.150 nan 0.000 0.444 547 V N 0.192 120.107 119.914 0.001 0.000 2.252 547 V HA -0.392 3.732 4.120 0.007 0.000 0.249 547 V C 2.710 178.838 176.094 0.057 0.000 1.056 547 V CA 2.537 64.840 62.300 0.005 0.000 1.022 547 V CB -0.847 30.958 31.823 -0.030 0.000 0.641 547 V HN 0.579 nan 8.190 nan 0.000 0.445 548 M N -0.406 119.224 119.600 0.050 0.000 2.106 548 M HA -0.254 4.230 4.480 0.007 0.000 0.259 548 M C 1.951 178.341 176.300 0.149 0.000 1.068 548 M CA 2.218 57.578 55.300 0.101 0.000 1.100 548 M CB -0.737 31.899 32.600 0.060 0.000 1.351 548 M HN 0.357 nan 8.290 nan 0.000 0.404 549 D N 0.420 120.874 120.400 0.091 0.000 2.117 549 D HA -0.141 4.503 4.640 0.007 0.000 0.197 549 D C 1.588 177.936 176.300 0.080 0.000 0.987 549 D CA 1.193 55.240 54.000 0.077 0.000 0.829 549 D CB -0.335 40.491 40.800 0.044 0.000 0.961 549 D HN 0.255 nan 8.370 nan 0.000 0.460 550 D N -0.483 119.959 120.400 0.071 0.000 2.092 550 D HA -0.158 4.486 4.640 0.007 0.000 0.193 550 D C 1.766 178.122 176.300 0.092 0.000 0.994 550 D CA 0.547 54.578 54.000 0.051 0.000 0.828 550 D CB -0.506 40.303 40.800 0.016 0.000 0.963 550 D HN 0.140 nan 8.370 nan 0.000 0.450 551 F N 1.596 121.538 119.950 -0.015 0.000 2.043 551 F HA -0.259 4.272 4.527 0.007 0.000 0.297 551 F C 2.227 178.080 175.800 0.088 0.000 1.121 551 F CA 1.980 59.994 58.000 0.023 0.000 1.199 551 F CB -0.676 38.310 39.000 -0.023 0.000 0.968 551 F HN -0.029 nan 8.300 nan 0.000 0.478 552 A N 0.665 123.607 122.820 0.202 0.000 1.882 552 A HA -0.328 3.996 4.320 0.007 0.000 0.220 552 A C 2.455 180.007 177.584 -0.052 0.000 1.253 552 A CA 3.150 55.239 52.037 0.085 0.000 0.664 552 A CB -1.839 17.233 19.000 0.121 0.000 0.838 552 A HN 0.669 nan 8.150 nan 0.000 0.460 553 A N -1.272 121.537 122.820 -0.017 0.000 1.849 553 A HA -0.067 4.257 4.320 0.007 0.000 0.217 553 A C 1.983 179.504 177.584 -0.104 0.000 1.202 553 A CA 2.115 54.124 52.037 -0.046 0.000 0.629 553 A CB -1.085 17.907 19.000 -0.012 0.000 0.834 553 A HN 1.063 nan 8.150 nan 0.000 0.447 554 F N 0.804 120.588 119.950 -0.276 0.000 2.104 554 F HA -0.347 4.184 4.527 0.006 0.000 0.289 554 F C 2.175 177.673 175.800 -0.504 0.000 1.115 554 F CA 2.349 60.113 58.000 -0.394 0.000 1.273 554 F CB -1.206 37.505 39.000 -0.481 0.000 0.933 554 F HN 0.069 nan 8.300 nan 0.000 0.517 555 V N 0.269 119.716 119.914 -0.778 0.000 2.223 555 V HA -0.375 3.749 4.120 0.007 0.000 0.246 555 V C 2.761 178.593 176.094 -0.438 0.000 1.045 555 V CA 3.523 65.385 62.300 -0.731 0.000 1.004 555 V CB -1.857 29.692 31.823 -0.457 0.000 0.641 555 V HN 0.635 nan 8.190 nan 0.000 0.457 556 E N -0.278 119.771 120.200 -0.252 0.000 2.164 556 E HA -0.429 3.925 4.350 0.007 0.000 0.206 556 E C 2.345 178.840 176.600 -0.176 0.000 1.032 556 E CA 2.889 59.196 56.400 -0.156 0.000 0.832 556 E CB -0.949 28.689 29.700 -0.103 0.000 0.742 556 E HN 0.483 nan 8.360 nan 0.000 0.460 557 K N -0.860 119.403 120.400 -0.228 0.000 2.025 557 K HA -0.063 4.261 4.320 0.007 0.000 0.207 557 K C 2.256 178.696 176.600 -0.267 0.000 1.049 557 K CA 1.181 57.344 56.287 -0.207 0.000 0.933 557 K CB -1.161 31.232 32.500 -0.177 0.000 0.714 557 K HN 0.764 nan 8.250 nan 0.000 0.438 558 c N 0.066 118.362 118.600 -0.506 0.000 2.522 558 c HA 0.211 4.785 4.570 0.007 0.000 0.271 558 c C 2.249 176.235 174.090 -0.173 0.000 1.425 558 c CA 0.283 56.272 56.329 -0.568 0.000 1.751 558 c CB -1.648 39.934 42.510 -1.547 0.000 1.775 558 c HN 0.717 nan 8.230 nan 0.000 0.557 559 c N -0.373 118.161 118.600 -0.109 0.000 2.974 559 c HA 0.113 4.687 4.570 0.007 0.000 0.282 559 c C 1.927 176.015 174.090 -0.003 0.000 1.292 559 c CA 0.221 56.576 56.329 0.044 0.000 1.710 559 c CB -1.132 41.409 42.510 0.050 0.000 2.036 559 c HN 0.545 nan 8.230 nan 0.000 0.629 560 K N 0.215 120.591 120.400 -0.039 0.000 2.564 560 K HA 0.638 4.962 4.320 0.007 0.000 0.201 560 K C -0.190 176.392 176.600 -0.029 0.000 1.086 560 K CA 0.506 56.775 56.287 -0.031 0.000 1.062 560 K CB 0.448 32.922 32.500 -0.043 0.000 0.849 560 K HN 0.445 nan 8.250 nan 0.000 0.529 561 A N 0.792 123.596 122.820 -0.026 0.000 2.393 561 A HA 0.615 4.939 4.320 0.007 0.000 0.306 561 A C -0.875 176.710 177.584 0.002 0.000 1.050 561 A CA -0.694 51.330 52.037 -0.020 0.000 0.724 561 A CB 0.789 19.765 19.000 -0.041 0.000 1.248 561 A HN 0.414 nan 8.150 nan 0.000 0.424 562 D N 1.093 121.496 120.400 0.004 0.000 2.429 562 D HA 0.134 4.778 4.640 0.007 0.000 0.233 562 D C -0.058 176.257 176.300 0.025 0.000 1.202 562 D CA 1.784 55.792 54.000 0.014 0.000 0.879 562 D CB 0.395 41.201 40.800 0.010 0.000 1.212 562 D HN 0.730 nan 8.370 nan 0.000 0.465 563 D N 0.586 121.005 120.400 0.032 0.000 2.927 563 D HA -0.181 4.463 4.640 0.007 0.000 0.236 563 D C 0.816 177.157 176.300 0.070 0.000 1.163 563 D CA 0.367 54.393 54.000 0.043 0.000 0.801 563 D CB -0.065 40.757 40.800 0.036 0.000 0.975 563 D HN 0.206 nan 8.370 nan 0.000 0.413 564 K N 1.603 122.055 120.400 0.086 0.000 1.965 564 K HA -0.198 4.126 4.320 0.007 0.000 0.218 564 K C 1.781 178.518 176.600 0.227 0.000 1.048 564 K CA 1.712 58.098 56.287 0.164 0.000 0.960 564 K CB -0.560 32.011 32.500 0.120 0.000 0.732 564 K HN 0.439 nan 8.250 nan 0.000 0.444 565 E N 0.730 121.008 120.200 0.129 0.000 2.339 565 E HA -0.157 4.197 4.350 0.007 0.000 0.201 565 E C 1.765 178.453 176.600 0.146 0.000 1.015 565 E CA 1.435 57.908 56.400 0.121 0.000 0.841 565 E CB -0.277 29.468 29.700 0.076 0.000 0.754 565 E HN 0.285 nan 8.360 nan 0.000 0.508 566 T N -1.430 113.200 114.554 0.127 0.000 2.770 566 T HA -0.112 4.242 4.350 0.007 0.000 0.258 566 T C 1.883 176.656 174.700 0.122 0.000 1.039 566 T CA 1.102 63.264 62.100 0.103 0.000 1.143 566 T CB -0.660 68.250 68.868 0.070 0.000 0.866 566 T HN 0.451 nan 8.240 nan 0.000 0.428 567 c N 0.820 119.490 118.600 0.117 0.000 2.388 567 c HA -0.142 4.432 4.570 0.007 0.000 0.277 567 c C 2.340 176.480 174.090 0.083 0.000 1.210 567 c CA 0.879 57.239 56.329 0.051 0.000 1.743 567 c CB -1.730 40.753 42.510 -0.045 0.000 2.047 567 c HN 0.622 nan 8.230 nan 0.000 0.458 568 F N 1.416 121.379 119.950 0.022 0.000 2.202 568 F HA -0.031 4.499 4.527 0.006 0.000 0.301 568 F C 2.469 178.396 175.800 0.212 0.000 1.082 568 F CA 1.557 59.631 58.000 0.124 0.000 1.313 568 F CB -0.616 38.402 39.000 0.029 0.000 1.024 568 F HN 0.330 nan 8.300 nan 0.000 0.495 569 A N -0.242 122.743 122.820 0.274 0.000 1.935 569 A HA 0.043 4.367 4.320 0.007 0.000 0.214 569 A C 2.104 179.773 177.584 0.141 0.000 1.178 569 A CA 1.452 53.590 52.037 0.167 0.000 0.640 569 A CB -1.018 18.045 19.000 0.106 0.000 0.825 569 A HN 0.334 nan 8.150 nan 0.000 0.447 570 E N 0.139 120.417 120.200 0.129 0.000 2.042 570 E HA -0.100 4.254 4.350 0.007 0.000 0.189 570 E C 1.820 178.475 176.600 0.091 0.000 0.974 570 E CA 1.169 57.623 56.400 0.090 0.000 0.806 570 E CB -0.569 29.172 29.700 0.068 0.000 0.769 570 E HN 0.541 nan 8.360 nan 0.000 0.451 571 E N 0.358 120.639 120.200 0.135 0.000 2.106 571 E HA -0.043 4.311 4.350 0.007 0.000 0.192 571 E C 2.429 179.046 176.600 0.028 0.000 0.984 571 E CA 0.974 57.455 56.400 0.135 0.000 0.806 571 E CB -0.703 29.173 29.700 0.293 0.000 0.750 571 E HN 0.513 nan 8.360 nan 0.000 0.458 572 G N 1.651 110.546 108.800 0.158 0.000 2.469 572 G HA2 -0.328 3.636 3.960 0.007 0.000 0.220 572 G HA3 -0.328 3.636 3.960 0.007 0.000 0.220 572 G C 1.911 176.809 174.900 -0.003 0.000 1.136 572 G CA 1.177 46.293 45.100 0.027 0.000 0.759 572 G HN 0.209 nan 8.290 nan 0.000 0.562 573 K N 0.252 120.680 120.400 0.048 0.000 2.057 573 K HA 0.048 4.372 4.320 0.007 0.000 0.206 573 K C 2.516 179.110 176.600 -0.009 0.000 1.050 573 K CA 1.399 57.711 56.287 0.041 0.000 0.935 573 K CB -0.403 32.127 32.500 0.050 0.000 0.715 573 K HN 0.467 nan 8.250 nan 0.000 0.439 574 K N 0.081 120.460 120.400 -0.035 0.000 2.026 574 K HA -0.061 4.263 4.320 0.007 0.000 0.208 574 K C 2.215 178.751 176.600 -0.106 0.000 1.048 574 K CA 1.461 57.713 56.287 -0.059 0.000 0.929 574 K CB -0.379 32.091 32.500 -0.050 0.000 0.713 574 K HN 0.042 nan 8.250 nan 0.000 0.439 575 L N 0.963 122.065 121.223 -0.200 0.000 1.970 575 L HA -0.209 4.135 4.340 0.007 0.000 0.212 575 L C 2.098 178.886 176.870 -0.137 0.000 1.071 575 L CA 1.584 56.277 54.840 -0.246 0.000 0.751 575 L CB -0.533 41.218 42.059 -0.513 0.000 0.889 575 L HN -0.076 nan 8.230 nan 0.000 0.432 576 V N -0.020 119.843 119.914 -0.084 0.000 2.392 576 V HA -0.328 3.796 4.120 0.007 0.000 0.249 576 V C 2.720 178.774 176.094 -0.067 0.000 1.059 576 V CA 1.661 63.941 62.300 -0.033 0.000 1.051 576 V CB -1.321 30.558 31.823 0.093 0.000 0.658 576 V HN 0.636 nan 8.190 nan 0.000 0.455 577 A N -0.149 122.636 122.820 -0.057 0.000 1.873 577 A HA -0.064 4.260 4.320 0.007 0.000 0.215 577 A C 2.435 179.975 177.584 -0.074 0.000 1.186 577 A CA 1.986 53.984 52.037 -0.064 0.000 0.616 577 A CB -0.776 18.198 19.000 -0.042 0.000 0.823 577 A HN 0.553 nan 8.150 nan 0.000 0.442 578 A N -0.476 122.302 122.820 -0.071 0.000 1.877 578 A HA -0.064 4.260 4.320 0.007 0.000 0.216 578 A C 2.458 179.998 177.584 -0.073 0.000 1.186 578 A CA 2.104 54.102 52.037 -0.066 0.000 0.620 578 A CB -0.974 17.988 19.000 -0.064 0.000 0.822 578 A HN 0.454 nan 8.150 nan 0.000 0.443 579 S N -0.429 115.220 115.700 -0.086 0.000 2.370 579 S HA -0.181 4.293 4.470 0.007 0.000 0.226 579 S C 2.186 176.726 174.600 -0.099 0.000 1.033 579 S CA 1.513 59.658 58.200 -0.092 0.000 1.011 579 S CB -0.445 62.687 63.200 -0.114 0.000 0.852 579 S HN 0.668 nan 8.310 nan 0.000 0.457 580 Q N 0.606 120.333 119.800 -0.122 0.000 2.135 580 Q HA -0.035 4.309 4.340 0.007 0.000 0.204 580 Q C 2.590 178.530 176.000 -0.100 0.000 0.981 580 Q CA 1.148 56.869 55.803 -0.137 0.000 0.856 580 Q CB -0.996 27.616 28.738 -0.211 0.000 0.902 580 Q HN 0.774 nan 8.270 nan 0.000 0.425 581 A N 0.608 123.377 122.820 -0.085 0.000 1.854 581 A HA 0.130 4.454 4.320 0.007 0.000 0.214 581 A C 2.451 180.002 177.584 -0.055 0.000 1.192 581 A CA 1.597 53.595 52.037 -0.065 0.000 0.611 581 A CB -1.058 17.908 19.000 -0.057 0.000 0.832 581 A HN 0.564 nan 8.150 nan 0.000 0.442 582 A N -0.190 122.598 122.820 -0.053 0.000 1.940 582 A HA -0.037 4.287 4.320 0.007 0.000 0.219 582 A C 1.893 179.451 177.584 -0.044 0.000 1.176 582 A CA 1.510 53.521 52.037 -0.044 0.000 0.631 582 A CB -0.592 18.383 19.000 -0.042 0.000 0.814 582 A HN 0.479 nan 8.150 nan 0.000 0.446 583 L N -0.443 120.749 121.223 -0.052 0.000 2.612 583 L HA 0.233 4.576 4.340 0.007 0.000 0.230 583 L C 1.454 178.291 176.870 -0.056 0.000 1.140 583 L CA -0.069 54.740 54.840 -0.051 0.000 0.896 583 L CB -1.366 40.661 42.059 -0.054 0.000 1.065 583 L HN 0.548 nan 8.230 nan 0.000 0.447 584 G N 0.000 108.767 108.800 -0.055 0.000 5.446 584 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 584 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 584 G CA 0.000 45.068 45.100 -0.054 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925