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 2bxo_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 IcTLSEKERQ 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 0.000 175.305 175.328 -0.039 0.000 0.993 3 H CA 0.000 55.984 56.048 -0.107 0.000 1.023 3 H CB 0.000 29.705 29.762 -0.095 0.000 1.292 4 K N 0.244 119.998 120.400 -1.077 0.000 2.366 4 K HA 0.302 4.625 4.320 0.006 0.000 0.198 4 K C 0.835 177.268 176.600 -0.278 0.000 1.044 4 K CA 1.182 57.112 56.287 -0.596 0.000 0.973 4 K CB -0.081 32.037 32.500 -0.636 0.000 0.767 4 K HN 0.500 nan 8.250 nan 0.000 0.475 5 S N 0.203 115.823 115.700 -0.133 0.000 2.707 5 S HA 0.355 4.828 4.470 0.006 0.000 0.303 5 S C 0.162 174.862 174.600 0.167 0.000 1.132 5 S CA -0.644 57.598 58.200 0.070 0.000 1.046 5 S CB 1.312 64.572 63.200 0.101 0.000 1.004 5 S HN 0.299 nan 8.310 nan 0.000 0.483 6 E N 2.964 123.253 120.200 0.148 0.000 2.047 6 E HA -0.090 4.263 4.350 0.006 0.000 0.191 6 E C 2.146 178.883 176.600 0.228 0.000 0.987 6 E CA 1.419 57.935 56.400 0.193 0.000 0.799 6 E CB -0.385 29.407 29.700 0.152 0.000 0.752 6 E HN 0.665 nan 8.360 nan 0.000 0.449 7 V N 1.321 121.361 119.914 0.210 0.000 2.343 7 V HA -0.225 3.898 4.120 0.006 0.000 0.247 7 V C 2.535 178.716 176.094 0.144 0.000 1.051 7 V CA 1.890 64.331 62.300 0.233 0.000 1.036 7 V CB -1.333 30.626 31.823 0.226 0.000 0.654 7 V HN 0.188 nan 8.190 nan 0.000 0.451 8 A N 0.135 123.000 122.820 0.075 0.000 1.883 8 A HA -0.307 4.016 4.320 0.006 0.000 0.217 8 A C 2.206 179.882 177.584 0.154 0.000 1.186 8 A CA 2.451 54.517 52.037 0.047 0.000 0.624 8 A CB -0.930 18.099 19.000 0.048 0.000 0.822 8 A HN 0.746 nan 8.150 nan 0.000 0.444 9 H N -0.050 119.087 119.070 0.111 0.000 2.293 9 H HA -0.076 4.483 4.556 0.006 0.000 0.300 9 H C 2.248 177.643 175.328 0.112 0.000 1.082 9 H CA 2.098 58.207 56.048 0.101 0.000 1.308 9 H CB -0.049 29.786 29.762 0.121 0.000 1.375 9 H HN 0.291 nan 8.280 nan 0.000 0.495 10 R N -0.495 120.020 120.500 0.025 0.000 2.081 10 R HA -0.146 4.198 4.340 0.006 0.000 0.235 10 R C 2.445 178.792 176.300 0.079 0.000 1.131 10 R CA 1.304 57.415 56.100 0.019 0.000 0.960 10 R CB -1.318 29.113 30.300 0.218 0.000 0.856 10 R HN 0.388 nan 8.270 nan 0.000 0.436 11 F N 2.249 122.150 119.950 -0.081 0.000 2.102 11 F HA -0.184 4.346 4.527 0.006 0.000 0.298 11 F C 2.224 177.918 175.800 -0.176 0.000 1.105 11 F CA 1.622 59.439 58.000 -0.306 0.000 1.239 11 F CB -0.030 38.621 39.000 -0.582 0.000 0.991 11 F HN -0.114 nan 8.300 nan 0.000 0.474 12 K N -0.285 120.136 120.400 0.035 0.000 2.009 12 K HA -0.207 4.117 4.320 0.006 0.000 0.210 12 K C 0.995 177.523 176.600 -0.120 0.000 1.049 12 K CA 1.783 58.053 56.287 -0.028 0.000 0.929 12 K CB -0.559 31.956 32.500 0.024 0.000 0.714 12 K HN 0.409 nan 8.250 nan 0.000 0.440 13 D N -0.263 120.042 120.400 -0.159 0.000 2.561 13 D HA 0.017 4.660 4.640 0.006 0.000 0.232 13 D C 0.797 177.025 176.300 -0.121 0.000 1.198 13 D CA 0.060 53.975 54.000 -0.141 0.000 0.826 13 D CB 0.443 41.149 40.800 -0.157 0.000 0.992 13 D HN -0.009 nan 8.370 nan 0.000 0.490 14 L N -0.311 120.830 121.223 -0.137 0.000 2.746 14 L HA 0.495 4.838 4.340 0.006 0.000 0.230 14 L C 0.822 177.607 176.870 -0.142 0.000 1.034 14 L CA 1.282 56.066 54.840 -0.094 0.000 0.922 14 L CB 0.436 42.487 42.059 -0.013 0.000 1.496 14 L HN 0.382 nan 8.230 nan 0.000 0.498 15 G N 0.162 108.784 108.800 -0.297 0.000 2.675 15 G HA2 -0.185 3.779 3.960 0.006 0.000 0.686 15 G HA3 -0.185 3.779 3.960 0.006 0.000 0.686 15 G C 0.295 174.905 174.900 -0.482 0.000 1.215 15 G CA 0.098 44.989 45.100 -0.349 0.000 0.777 15 G HN 0.221 nan 8.290 nan 0.000 0.638 16 E N -0.077 119.821 120.200 -0.504 0.000 2.051 16 E HA -0.170 4.184 4.350 0.006 0.000 0.192 16 E C 2.158 178.743 176.600 -0.025 0.000 0.991 16 E CA 1.701 57.909 56.400 -0.320 0.000 0.799 16 E CB -0.035 29.637 29.700 -0.047 0.000 0.748 16 E HN 0.546 nan 8.360 nan 0.000 0.449 17 E N 0.725 120.913 120.200 -0.020 0.000 2.038 17 E HA -0.192 4.162 4.350 0.006 0.000 0.195 17 E C 1.902 178.530 176.600 0.046 0.000 1.000 17 E CA 0.976 57.396 56.400 0.033 0.000 0.803 17 E CB -0.476 29.236 29.700 0.020 0.000 0.750 17 E HN 0.335 nan 8.360 nan 0.000 0.448 18 N N 0.396 119.105 118.700 0.015 0.000 2.142 18 N HA -0.134 4.610 4.740 0.006 0.000 0.186 18 N C 1.812 177.350 175.510 0.048 0.000 1.023 18 N CA 0.615 53.676 53.050 0.018 0.000 0.852 18 N CB -0.593 37.891 38.487 -0.006 0.000 0.998 18 N HN 0.118 nan 8.380 nan 0.000 0.424 19 F N 2.301 122.195 119.950 -0.093 0.000 2.095 19 F HA -0.171 4.359 4.527 0.006 0.000 0.298 19 F C 2.152 177.980 175.800 0.046 0.000 1.104 19 F CA 1.571 59.550 58.000 -0.035 0.000 1.232 19 F CB -0.014 38.946 39.000 -0.067 0.000 0.987 19 F HN -0.086 nan 8.300 nan 0.000 0.475 20 K N -0.013 120.556 120.400 0.282 0.000 2.097 20 K HA -0.144 4.179 4.320 0.006 0.000 0.206 20 K C 2.240 178.886 176.600 0.076 0.000 1.049 20 K CA 1.142 57.549 56.287 0.201 0.000 0.933 20 K CB -0.472 32.155 32.500 0.211 0.000 0.717 20 K HN 0.379 nan 8.250 nan 0.000 0.442 21 A N 1.120 123.968 122.820 0.047 0.000 1.897 21 A HA -0.074 4.249 4.320 0.006 0.000 0.215 21 A C 2.067 179.632 177.584 -0.033 0.000 1.181 21 A CA 1.057 53.109 52.037 0.024 0.000 0.620 21 A CB -0.457 18.557 19.000 0.023 0.000 0.821 21 A HN 0.134 nan 8.150 nan 0.000 0.443 22 L N -0.606 120.555 121.223 -0.103 0.000 2.109 22 L HA -0.108 4.236 4.340 0.006 0.000 0.207 22 L C 2.452 179.199 176.870 -0.205 0.000 1.086 22 L CA 0.694 55.430 54.840 -0.173 0.000 0.760 22 L CB -0.485 41.439 42.059 -0.226 0.000 0.910 22 L HN 0.217 nan 8.230 nan 0.000 0.437 23 V N 0.049 119.821 119.914 -0.237 0.000 2.343 23 V HA -0.280 3.843 4.120 0.006 0.000 0.247 23 V C 2.393 178.539 176.094 0.086 0.000 1.051 23 V CA 1.587 63.794 62.300 -0.155 0.000 1.036 23 V CB -0.363 31.394 31.823 -0.110 0.000 0.654 23 V HN 0.317 nan 8.190 nan 0.000 0.451 24 L N 0.231 121.512 121.223 0.097 0.000 1.970 24 L HA -0.155 4.188 4.340 0.006 0.000 0.212 24 L C 2.203 179.131 176.870 0.097 0.000 1.071 24 L CA 2.019 56.953 54.840 0.156 0.000 0.751 24 L CB -0.616 41.520 42.059 0.130 0.000 0.889 24 L HN 0.221 nan 8.230 nan 0.000 0.432 25 I N -0.202 120.377 120.570 0.014 0.000 2.208 25 I HA -0.337 3.837 4.170 0.006 0.000 0.245 25 I C 2.611 178.702 176.117 -0.043 0.000 1.097 25 I CA 1.286 62.566 61.300 -0.033 0.000 1.363 25 I CB -0.697 37.253 38.000 -0.084 0.000 1.051 25 I HN 0.426 nan 8.210 nan 0.000 0.413 26 A N 0.652 123.419 122.820 -0.089 0.000 1.883 26 A HA -0.219 4.105 4.320 0.006 0.000 0.217 26 A C 2.074 179.703 177.584 0.076 0.000 1.186 26 A CA 1.697 53.658 52.037 -0.128 0.000 0.624 26 A CB -0.943 17.808 19.000 -0.415 0.000 0.822 26 A HN 0.340 nan 8.150 nan 0.000 0.444 27 F N -0.088 119.978 119.950 0.194 0.000 2.259 27 F HA 0.047 4.578 4.527 0.006 0.000 0.298 27 F C 2.718 178.564 175.800 0.076 0.000 1.088 27 F CA 0.636 58.774 58.000 0.230 0.000 1.358 27 F CB -0.493 38.648 39.000 0.235 0.000 1.040 27 F HN 0.251 nan 8.300 nan 0.000 0.505 28 A N -0.616 122.219 122.820 0.025 0.000 2.015 28 A HA -0.177 4.146 4.320 0.006 0.000 0.219 28 A C 2.068 179.636 177.584 -0.026 0.000 1.163 28 A CA 1.208 53.157 52.037 -0.147 0.000 0.646 28 A CB -0.619 18.298 19.000 -0.138 0.000 0.806 28 A HN 0.441 nan 8.150 nan 0.000 0.448 29 Q N -2.180 117.612 119.800 -0.014 0.000 2.297 29 Q HA -0.092 4.251 4.340 0.006 0.000 0.204 29 Q C 1.288 177.165 176.000 -0.205 0.000 0.962 29 Q CA 1.228 56.946 55.803 -0.141 0.000 0.879 29 Q CB -0.090 28.515 28.738 -0.221 0.000 0.947 29 Q HN 0.881 nan 8.270 nan 0.000 0.462 30 Y N -0.790 119.506 120.300 -0.006 0.000 2.351 30 Y HA 0.043 4.596 4.550 0.006 0.000 0.291 30 Y C 0.618 176.473 175.900 -0.075 0.000 1.153 30 Y CA -0.057 58.026 58.100 -0.028 0.000 1.193 30 Y CB 0.538 38.986 38.460 -0.021 0.000 1.187 30 Y HN -0.041 nan 8.280 nan 0.000 0.524 31 L N 2.155 123.499 121.223 0.202 0.000 2.536 31 L HA 0.149 4.492 4.340 0.006 0.000 0.242 31 L C 0.830 177.935 176.870 0.392 0.000 1.280 31 L CA 0.382 55.315 54.840 0.154 0.000 1.221 31 L CB -0.248 41.990 42.059 0.298 0.000 1.449 31 L HN 0.305 nan 8.230 nan 0.000 0.405 32 Q N -0.582 119.388 119.800 0.283 0.000 2.437 32 Q HA -0.107 4.237 4.340 0.006 0.000 0.210 32 Q C 1.150 177.322 176.000 0.285 0.000 0.972 32 Q CA 0.772 56.708 55.803 0.222 0.000 0.903 32 Q CB 0.209 29.009 28.738 0.104 0.000 0.967 32 Q HN 0.531 nan 8.270 nan 0.000 0.486 33 Q N -0.647 119.413 119.800 0.434 0.000 2.384 33 Q HA 0.073 4.417 4.340 0.006 0.000 0.207 33 Q C 0.314 176.457 176.000 0.237 0.000 0.904 33 Q CA 0.166 56.115 55.803 0.244 0.000 0.933 33 Q CB 0.479 29.213 28.738 -0.007 0.000 1.077 33 Q HN 0.303 nan 8.270 nan 0.000 0.522 34 C N 3.733 123.252 119.300 0.366 0.000 2.605 34 C HA 0.288 4.752 4.460 0.006 0.000 0.404 34 C C -1.758 173.362 174.990 0.216 0.000 1.284 34 C CA -1.091 58.027 59.018 0.167 0.000 2.199 34 C CB 0.555 28.244 27.740 -0.084 0.000 2.647 34 C HN 0.266 nan 8.230 nan 0.000 0.604 35 P HA 0.015 nan 4.420 nan 0.000 0.272 35 P C 0.572 177.806 177.300 -0.111 0.000 1.223 35 P CA 0.013 63.145 63.100 0.053 0.000 0.784 35 P CB 0.418 32.112 31.700 -0.009 0.000 0.923 36 F N 3.041 122.705 119.950 -0.476 0.000 2.087 36 F HA -0.264 4.266 4.527 0.006 0.000 0.299 36 F C 1.707 177.301 175.800 -0.345 0.000 1.100 36 F CA 2.131 59.668 58.000 -0.773 0.000 1.226 36 F CB -0.829 37.742 39.000 -0.716 0.000 0.983 36 F HN 0.273 nan 8.300 nan 0.000 0.479 37 E N 0.139 120.108 120.200 -0.385 0.000 2.267 37 E HA -0.185 4.168 4.350 0.006 0.000 0.197 37 E C 1.680 178.063 176.600 -0.362 0.000 0.998 37 E CA 1.520 57.680 56.400 -0.400 0.000 0.830 37 E CB -0.563 29.028 29.700 -0.182 0.000 0.751 37 E HN 0.505 nan 8.360 nan 0.000 0.491 38 D N -0.697 119.499 120.400 -0.339 0.000 2.137 38 D HA -0.073 4.570 4.640 0.006 0.000 0.202 38 D C 1.631 177.686 176.300 -0.409 0.000 0.970 38 D CA 0.870 54.661 54.000 -0.349 0.000 0.837 38 D CB -0.021 40.565 40.800 -0.356 0.000 0.981 38 D HN 0.280 nan 8.370 nan 0.000 0.475 39 H N -0.157 118.735 119.070 -0.297 0.000 2.389 39 H HA 0.000 4.560 4.556 0.006 0.000 0.299 39 H C 2.221 177.369 175.328 -0.299 0.000 1.081 39 H CA 0.645 56.538 56.048 -0.259 0.000 1.345 39 H CB -0.279 29.411 29.762 -0.120 0.000 1.393 39 H HN 0.044 nan 8.280 nan 0.000 0.520 40 V N 1.392 121.100 119.914 -0.342 0.000 2.392 40 V HA -0.257 3.867 4.120 0.006 0.000 0.249 40 V C 2.603 178.576 176.094 -0.202 0.000 1.059 40 V CA 1.885 63.987 62.300 -0.330 0.000 1.051 40 V CB -0.423 31.082 31.823 -0.530 0.000 0.658 40 V HN 0.326 nan 8.190 nan 0.000 0.455 41 K N -0.045 120.222 120.400 -0.222 0.000 2.025 41 K HA -0.131 4.192 4.320 0.006 0.000 0.207 41 K C 2.194 178.701 176.600 -0.154 0.000 1.049 41 K CA 1.441 57.627 56.287 -0.168 0.000 0.933 41 K CB -0.212 32.182 32.500 -0.177 0.000 0.714 41 K HN 0.385 nan 8.250 nan 0.000 0.438 42 L N 0.748 121.834 121.223 -0.228 0.000 2.013 42 L HA -0.238 4.105 4.340 0.006 0.000 0.212 42 L C 2.445 179.244 176.870 -0.118 0.000 1.073 42 L CA 1.176 55.841 54.840 -0.293 0.000 0.753 42 L CB -0.574 41.093 42.059 -0.653 0.000 0.890 42 L HN 0.060 nan 8.230 nan 0.000 0.432 43 V N 0.240 120.131 119.914 -0.038 0.000 2.252 43 V HA -0.329 3.795 4.120 0.006 0.000 0.249 43 V C 2.291 178.457 176.094 0.121 0.000 1.056 43 V CA 2.170 64.533 62.300 0.104 0.000 1.022 43 V CB -0.775 31.106 31.823 0.096 0.000 0.641 43 V HN 0.513 nan 8.190 nan 0.000 0.445 44 N N 0.132 118.864 118.700 0.054 0.000 2.069 44 N HA -0.196 4.547 4.740 0.006 0.000 0.191 44 N C 1.836 177.392 175.510 0.077 0.000 1.031 44 N CA 1.730 54.819 53.050 0.064 0.000 0.852 44 N CB -0.390 38.105 38.487 0.014 0.000 1.018 44 N HN 0.623 nan 8.380 nan 0.000 0.423 45 E N 0.355 120.579 120.200 0.040 0.000 2.085 45 E HA -0.105 4.249 4.350 0.006 0.000 0.194 45 E C 2.000 178.679 176.600 0.132 0.000 0.994 45 E CA 0.920 57.349 56.400 0.049 0.000 0.801 45 E CB 0.026 29.717 29.700 -0.015 0.000 0.743 45 E HN 0.091 nan 8.360 nan 0.000 0.453 46 V N 0.994 121.015 119.914 0.178 0.000 2.358 46 V HA -0.221 3.902 4.120 0.006 0.000 0.246 46 V C 2.272 178.610 176.094 0.407 0.000 1.047 46 V CA 2.039 64.531 62.300 0.319 0.000 1.035 46 V CB -0.642 31.409 31.823 0.378 0.000 0.658 46 V HN 0.322 nan 8.190 nan 0.000 0.452 47 T N -0.515 114.253 114.554 0.358 0.000 2.746 47 T HA -0.160 4.194 4.350 0.006 0.000 0.267 47 T C 1.883 176.622 174.700 0.064 0.000 1.039 47 T CA 1.331 63.614 62.100 0.304 0.000 1.142 47 T CB -0.227 68.826 68.868 0.308 0.000 0.866 47 T HN 0.468 nan 8.240 nan 0.000 0.444 48 E N 0.755 121.007 120.200 0.086 0.000 2.038 48 E HA -0.124 4.229 4.350 0.006 0.000 0.195 48 E C 1.920 178.521 176.600 0.003 0.000 1.000 48 E CA 0.998 57.411 56.400 0.022 0.000 0.803 48 E CB -0.557 29.174 29.700 0.052 0.000 0.750 48 E HN 0.494 nan 8.360 nan 0.000 0.448 49 F N 1.811 121.737 119.950 -0.039 0.000 2.043 49 F HA -0.272 4.258 4.527 0.006 0.000 0.297 49 F C 2.363 178.094 175.800 -0.116 0.000 1.121 49 F CA 1.782 59.757 58.000 -0.042 0.000 1.199 49 F CB -0.750 38.263 39.000 0.021 0.000 0.968 49 F HN -0.005 nan 8.300 nan 0.000 0.478 50 A N 0.195 122.850 122.820 -0.276 0.000 1.903 50 A HA -0.308 4.015 4.320 0.006 0.000 0.219 50 A C 2.263 179.368 177.584 -0.799 0.000 1.191 50 A CA 2.407 54.091 52.037 -0.588 0.000 0.638 50 A CB -0.926 17.669 19.000 -0.675 0.000 0.823 50 A HN 0.529 nan 8.150 nan 0.000 0.451 51 K N -1.227 118.716 120.400 -0.762 0.000 2.063 51 K HA -0.110 4.214 4.320 0.006 0.000 0.208 51 K C 2.170 178.525 176.600 -0.407 0.000 1.048 51 K CA 1.744 57.653 56.287 -0.631 0.000 0.928 51 K CB -0.477 31.776 32.500 -0.410 0.000 0.713 51 K HN 0.485 nan 8.250 nan 0.000 0.442 52 T N 0.642 114.981 114.554 -0.358 0.000 2.665 52 T HA -0.214 4.140 4.350 0.006 0.000 0.268 52 T C 2.009 176.524 174.700 -0.308 0.000 1.035 52 T CA 1.535 63.468 62.100 -0.278 0.000 1.151 52 T CB -0.414 68.306 68.868 -0.246 0.000 0.862 52 T HN 0.347 nan 8.240 nan 0.000 0.438 53 c N 0.885 119.210 118.600 -0.458 0.000 2.432 53 c HA 0.042 4.615 4.570 0.006 0.000 0.280 53 c C 2.799 176.755 174.090 -0.223 0.000 1.353 53 c CA -0.055 56.063 56.329 -0.353 0.000 1.766 53 c CB -1.174 41.061 42.510 -0.458 0.000 1.924 53 c HN 0.374 nan 8.230 nan 0.000 0.509 54 V N 1.428 121.176 119.914 -0.277 0.000 2.358 54 V HA -0.166 3.957 4.120 0.006 0.000 0.246 54 V C 2.716 178.740 176.094 -0.117 0.000 1.047 54 V CA 2.167 64.359 62.300 -0.179 0.000 1.035 54 V CB -1.185 30.497 31.823 -0.235 0.000 0.658 54 V HN 0.582 nan 8.190 nan 0.000 0.452 55 A N -0.247 122.491 122.820 -0.137 0.000 1.873 55 A HA -0.136 4.187 4.320 0.006 0.000 0.215 55 A C 1.307 178.854 177.584 -0.063 0.000 1.186 55 A CA 1.810 53.794 52.037 -0.089 0.000 0.616 55 A CB -0.184 18.760 19.000 -0.093 0.000 0.823 55 A HN 0.563 nan 8.150 nan 0.000 0.442 56 D N -1.833 118.524 120.400 -0.072 0.000 2.358 56 D HA 0.324 4.968 4.640 0.006 0.000 0.253 56 D C 0.503 176.781 176.300 -0.036 0.000 1.288 56 D CA 0.239 54.215 54.000 -0.041 0.000 0.950 56 D CB 1.275 42.052 40.800 -0.038 0.000 1.197 56 D HN -0.027 nan 8.370 nan 0.000 0.550 57 E N 1.668 121.873 120.200 0.008 0.000 2.219 57 E HA -0.164 4.190 4.350 0.006 0.000 0.198 57 E C 1.265 177.869 176.600 0.006 0.000 0.998 57 E CA 1.683 58.110 56.400 0.044 0.000 0.818 57 E CB -0.122 29.691 29.700 0.189 0.000 0.741 57 E HN 0.500 nan 8.360 nan 0.000 0.477 58 S N -0.306 115.395 115.700 0.002 0.000 2.593 58 S HA 0.446 4.920 4.470 0.006 0.000 0.217 58 S C 0.705 175.304 174.600 -0.002 0.000 0.966 58 S CA 0.194 58.392 58.200 -0.003 0.000 0.914 58 S CB 0.119 63.320 63.200 0.001 0.000 0.776 58 S HN 0.675 nan 8.310 nan 0.000 0.523 59 A N 1.972 124.783 122.820 -0.015 0.000 2.507 59 A HA 0.160 4.484 4.320 0.006 0.000 0.235 59 A C 0.440 178.042 177.584 0.030 0.000 1.070 59 A CA -0.264 51.768 52.037 -0.009 0.000 0.768 59 A CB -0.012 18.959 19.000 -0.048 0.000 1.011 59 A HN 0.487 nan 8.150 nan 0.000 0.502 60 E N 1.188 121.423 120.200 0.059 0.000 2.534 60 E HA -0.119 4.234 4.350 0.006 0.000 0.264 60 E C 0.346 177.062 176.600 0.192 0.000 0.981 60 E CA 0.811 57.270 56.400 0.098 0.000 0.948 60 E CB 0.036 29.790 29.700 0.089 0.000 0.934 60 E HN 0.706 nan 8.360 nan 0.000 0.459 61 N N 1.560 120.364 118.700 0.172 0.000 2.853 61 N HA -0.296 4.448 4.740 0.006 0.000 0.239 61 N C 0.819 176.552 175.510 0.370 0.000 0.967 61 N CA 1.358 54.547 53.050 0.232 0.000 0.973 61 N CB -1.928 36.676 38.487 0.196 0.000 1.104 61 N HN 0.496 nan 8.380 nan 0.000 0.602 62 c N 1.376 120.138 118.600 0.270 0.000 2.437 62 c HA -0.084 4.489 4.570 0.006 0.000 0.283 62 c C 2.100 176.264 174.090 0.123 0.000 1.424 62 c CA 0.974 57.392 56.329 0.149 0.000 1.782 62 c CB -0.825 41.664 42.510 -0.036 0.000 1.833 62 c HN 0.559 nan 8.230 nan 0.000 0.532 63 D N 0.180 120.643 120.400 0.105 0.000 2.346 63 D HA -0.010 4.633 4.640 0.006 0.000 0.206 63 D C 0.720 177.071 176.300 0.086 0.000 1.001 63 D CA 0.293 54.331 54.000 0.064 0.000 0.871 63 D CB -0.302 40.517 40.800 0.031 0.000 0.943 63 D HN 0.153 nan 8.370 nan 0.000 0.518 64 K N 0.745 121.217 120.400 0.120 0.000 2.440 64 K HA 0.244 4.567 4.320 0.006 0.000 0.270 64 K C 0.886 177.560 176.600 0.124 0.000 0.980 64 K CA -0.078 56.275 56.287 0.110 0.000 0.953 64 K CB 0.616 33.179 32.500 0.106 0.000 0.925 64 K HN 0.507 nan 8.250 nan 0.000 0.497 65 S N 0.889 116.657 115.700 0.114 0.000 2.603 65 S HA 0.207 4.681 4.470 0.006 0.000 0.268 65 S C 1.469 176.145 174.600 0.126 0.000 1.317 65 S CA -0.623 57.649 58.200 0.120 0.000 1.012 65 S CB 0.285 63.566 63.200 0.135 0.000 0.926 65 S HN 0.512 nan 8.310 nan 0.000 0.539 66 L N 0.593 121.867 121.223 0.085 0.000 2.046 66 L HA -0.118 4.225 4.340 0.006 0.000 0.208 66 L C 2.617 179.520 176.870 0.055 0.000 1.077 66 L CA 1.767 56.633 54.840 0.045 0.000 0.747 66 L CB -0.847 41.175 42.059 -0.062 0.000 0.896 66 L HN 0.831 nan 8.230 nan 0.000 0.432 67 H N -1.062 118.066 119.070 0.096 0.000 2.319 67 H HA -0.161 4.398 4.556 0.006 0.000 0.299 67 H C 2.340 177.754 175.328 0.142 0.000 1.092 67 H CA 1.905 58.027 56.048 0.122 0.000 1.302 67 H CB -0.076 29.749 29.762 0.105 0.000 1.373 67 H HN 0.255 nan 8.280 nan 0.000 0.497 68 T N 0.837 115.534 114.554 0.238 0.000 2.674 68 T HA -0.148 4.205 4.350 0.006 0.000 0.265 68 T C 2.174 176.937 174.700 0.106 0.000 1.039 68 T CA 1.249 63.440 62.100 0.152 0.000 1.150 68 T CB -0.368 68.571 68.868 0.118 0.000 0.864 68 T HN 0.182 nan 8.240 nan 0.000 0.427 69 L N -0.161 121.125 121.223 0.106 0.000 2.017 69 L HA -0.063 4.281 4.340 0.006 0.000 0.208 69 L C 2.357 179.269 176.870 0.070 0.000 1.073 69 L CA 1.442 56.314 54.840 0.054 0.000 0.745 69 L CB -0.630 41.477 42.059 0.079 0.000 0.894 69 L HN 0.182 nan 8.230 nan 0.000 0.432 70 F N 1.078 121.001 119.950 -0.045 0.000 2.126 70 F HA -0.151 4.379 4.527 0.006 0.000 0.299 70 F C 2.195 177.901 175.800 -0.156 0.000 1.096 70 F CA 1.549 59.474 58.000 -0.124 0.000 1.255 70 F CB -0.696 38.164 39.000 -0.232 0.000 0.997 70 F HN -0.024 nan 8.300 nan 0.000 0.479 71 G N -0.407 108.305 108.800 -0.147 0.000 2.408 71 G HA2 -0.234 3.729 3.960 0.006 0.000 0.217 71 G HA3 -0.234 3.729 3.960 0.006 0.000 0.217 71 G C 1.380 176.178 174.900 -0.169 0.000 1.150 71 G CA 0.928 45.892 45.100 -0.228 0.000 0.776 71 G HN 0.321 nan 8.290 nan 0.000 0.542 72 D N 0.574 120.924 120.400 -0.083 0.000 2.097 72 D HA -0.066 4.577 4.640 0.006 0.000 0.195 72 D C 2.374 178.602 176.300 -0.119 0.000 0.989 72 D CA 0.732 54.689 54.000 -0.073 0.000 0.827 72 D CB -0.105 40.659 40.800 -0.060 0.000 0.966 72 D HN 0.084 nan 8.370 nan 0.000 0.456 73 K N 0.360 120.677 120.400 -0.138 0.000 2.147 73 K HA -0.086 4.237 4.320 0.006 0.000 0.205 73 K C 2.069 178.552 176.600 -0.196 0.000 1.049 73 K CA 0.158 56.362 56.287 -0.139 0.000 0.936 73 K CB -0.435 32.037 32.500 -0.046 0.000 0.722 73 K HN 0.112 nan 8.250 nan 0.000 0.446 74 L N 0.815 121.861 121.223 -0.295 0.000 2.046 74 L HA -0.166 4.178 4.340 0.006 0.000 0.208 74 L C 1.979 178.714 176.870 -0.226 0.000 1.077 74 L CA 1.586 56.194 54.840 -0.386 0.000 0.747 74 L CB -0.670 40.870 42.059 -0.864 0.000 0.896 74 L HN 0.098 nan 8.230 nan 0.000 0.432 75 c N -1.097 117.419 118.600 -0.140 0.000 2.539 75 c HA 0.010 4.584 4.570 0.006 0.000 0.271 75 c C 2.422 176.486 174.090 -0.045 0.000 1.412 75 c CA 0.820 57.134 56.329 -0.025 0.000 1.729 75 c CB -1.704 40.827 42.510 0.034 0.000 1.739 75 c HN 0.540 nan 8.230 nan 0.000 0.570 76 T N 0.279 114.780 114.554 -0.088 0.000 3.009 76 T HA 0.017 4.370 4.350 0.006 0.000 0.258 76 T C 0.860 175.512 174.700 -0.081 0.000 1.063 76 T CA 0.565 62.613 62.100 -0.087 0.000 1.139 76 T CB 0.066 68.864 68.868 -0.117 0.000 0.890 76 T HN 0.218 nan 8.240 nan 0.000 0.471 77 V N 2.744 122.604 119.914 -0.089 0.000 2.475 77 V HA 0.094 4.218 4.120 0.006 0.000 0.292 77 V C 1.556 177.637 176.094 -0.022 0.000 1.003 77 V CA 0.119 62.380 62.300 -0.064 0.000 1.120 77 V CB 0.232 32.030 31.823 -0.041 0.000 0.937 77 V HN 0.447 nan 8.190 nan 0.000 0.476 78 A N 4.598 127.400 122.820 -0.030 0.000 1.968 78 A HA -0.079 4.245 4.320 0.006 0.000 0.217 78 A C 2.015 179.598 177.584 -0.002 0.000 1.169 78 A CA 1.614 53.639 52.037 -0.018 0.000 0.638 78 A CB -0.403 18.579 19.000 -0.031 0.000 0.812 78 A HN 0.923 nan 8.150 nan 0.000 0.446 79 T N -2.320 112.236 114.554 0.003 0.000 3.272 79 T HA 0.223 4.576 4.350 0.006 0.000 0.250 79 T C 1.317 176.049 174.700 0.054 0.000 1.082 79 T CA 0.397 62.499 62.100 0.003 0.000 0.968 79 T CB -0.235 68.616 68.868 -0.028 0.000 1.015 79 T HN 0.095 nan 8.240 nan 0.000 0.563 80 L N 2.269 123.556 121.223 0.106 0.000 1.951 80 L HA -0.112 4.232 4.340 0.006 0.000 0.222 80 L C 2.790 179.774 176.870 0.190 0.000 1.078 80 L CA 2.228 57.200 54.840 0.220 0.000 0.778 80 L CB -0.668 41.471 42.059 0.133 0.000 0.893 80 L HN 0.360 nan 8.230 nan 0.000 0.436 81 R N -0.624 119.931 120.500 0.092 0.000 2.083 81 R HA -0.191 4.152 4.340 0.006 0.000 0.237 81 R C 2.193 178.506 176.300 0.021 0.000 1.137 81 R CA 2.198 58.330 56.100 0.054 0.000 0.951 81 R CB -0.690 29.624 30.300 0.024 0.000 0.851 81 R HN 0.512 nan 8.270 nan 0.000 0.434 82 E N -0.096 120.102 120.200 -0.003 0.000 2.085 82 E HA -0.170 4.184 4.350 0.006 0.000 0.194 82 E C 1.907 178.456 176.600 -0.084 0.000 0.994 82 E CA 2.016 58.394 56.400 -0.036 0.000 0.801 82 E CB -1.143 28.533 29.700 -0.040 0.000 0.743 82 E HN 0.671 nan 8.360 nan 0.000 0.453 83 T N -1.508 112.959 114.554 -0.145 0.000 3.051 83 T HA 0.164 4.518 4.350 0.006 0.000 0.255 83 T C 0.620 175.009 174.700 -0.518 0.000 1.085 83 T CA 0.789 62.669 62.100 -0.368 0.000 1.109 83 T CB -0.034 68.496 68.868 -0.563 0.000 0.921 83 T HN 0.547 nan 8.240 nan 0.000 0.488 84 Y N 0.522 120.834 120.300 0.019 0.000 2.641 84 Y HA 0.453 5.007 4.550 0.006 0.000 0.248 84 Y C 1.848 177.747 175.900 -0.001 0.000 1.170 84 Y CA -0.809 57.309 58.100 0.029 0.000 1.201 84 Y CB -0.165 38.331 38.460 0.060 0.000 1.232 84 Y HN 0.239 nan 8.280 nan 0.000 0.537 85 G N 1.250 110.095 108.800 0.075 0.000 2.693 85 G HA2 -0.502 3.462 3.960 0.006 0.000 0.354 85 G HA3 -0.502 3.462 3.960 0.006 0.000 0.354 85 G C 1.419 176.318 174.900 -0.001 0.000 1.207 85 G CA 1.465 46.581 45.100 0.028 0.000 0.958 85 G HN 0.427 nan 8.290 nan 0.000 0.560 86 E N -0.382 119.785 120.200 -0.055 0.000 2.169 86 E HA -0.260 4.094 4.350 0.006 0.000 0.202 86 E C 2.550 178.967 176.600 -0.305 0.000 1.016 86 E CA 1.615 57.905 56.400 -0.183 0.000 0.817 86 E CB -0.197 29.352 29.700 -0.252 0.000 0.736 86 E HN 0.533 nan 8.360 nan 0.000 0.462 87 M N 0.184 119.650 119.600 -0.223 0.000 2.144 87 M HA -0.236 4.248 4.480 0.006 0.000 0.260 87 M C 2.227 178.505 176.300 -0.037 0.000 1.067 87 M CA 1.751 56.970 55.300 -0.135 0.000 1.095 87 M CB -0.075 32.587 32.600 0.104 0.000 1.365 87 M HN 0.155 nan 8.290 nan 0.000 0.406 88 A N 0.158 122.990 122.820 0.020 0.000 1.978 88 A HA -0.213 4.110 4.320 0.006 0.000 0.220 88 A C 1.579 179.149 177.584 -0.023 0.000 1.170 88 A CA 2.056 54.115 52.037 0.037 0.000 0.636 88 A CB -0.879 18.147 19.000 0.045 0.000 0.810 88 A HN 0.585 nan 8.150 nan 0.000 0.448 89 D N -0.587 119.768 120.400 -0.074 0.000 2.310 89 D HA -0.097 4.546 4.640 0.006 0.000 0.212 89 D C 1.810 178.043 176.300 -0.111 0.000 0.965 89 D CA 0.955 54.907 54.000 -0.079 0.000 0.879 89 D CB -0.478 40.273 40.800 -0.082 0.000 0.921 89 D HN 0.484 nan 8.370 nan 0.000 0.510 90 c N 0.324 118.810 118.600 -0.190 0.000 2.425 90 c HA -0.144 4.429 4.570 0.006 0.000 0.277 90 c C 2.899 176.850 174.090 -0.232 0.000 1.280 90 c CA 0.104 56.225 56.329 -0.347 0.000 1.744 90 c CB -0.988 40.997 42.510 -0.876 0.000 1.989 90 c HN 0.456 nan 8.230 nan 0.000 0.491 91 c N 1.003 119.556 118.600 -0.079 0.000 2.422 91 c HA -0.030 4.543 4.570 0.006 0.000 0.286 91 c C 2.910 176.997 174.090 -0.005 0.000 1.412 91 c CA 1.056 57.398 56.329 0.021 0.000 1.786 91 c CB -1.696 40.851 42.510 0.062 0.000 1.835 91 c HN 0.727 nan 8.230 nan 0.000 0.533 92 A N 0.162 122.964 122.820 -0.030 0.000 1.970 92 A HA 0.007 4.331 4.320 0.006 0.000 0.216 92 A C 1.237 178.806 177.584 -0.024 0.000 1.170 92 A CA 0.850 52.874 52.037 -0.022 0.000 0.645 92 A CB -0.124 18.862 19.000 -0.024 0.000 0.816 92 A HN 0.557 nan 8.150 nan 0.000 0.447 93 K N -0.288 120.085 120.400 -0.044 0.000 2.187 93 K HA 0.440 4.764 4.320 0.006 0.000 0.247 93 K C 0.291 176.881 176.600 -0.016 0.000 1.019 93 K CA 0.548 56.813 56.287 -0.038 0.000 0.893 93 K CB -0.106 32.355 32.500 -0.066 0.000 1.025 93 K HN 0.407 nan 8.250 nan 0.000 0.500 94 Q N 0.941 120.738 119.800 -0.006 0.000 2.301 94 Q HA 0.270 4.613 4.340 0.006 0.000 0.267 94 Q C -0.542 175.467 176.000 0.015 0.000 1.035 94 Q CA -0.851 54.958 55.803 0.010 0.000 0.856 94 Q CB 0.958 29.702 28.738 0.010 0.000 1.337 94 Q HN 0.528 nan 8.270 nan 0.000 0.450 95 E N 2.111 122.330 120.200 0.033 0.000 2.414 95 E HA 0.132 4.486 4.350 0.006 0.000 0.263 95 E C -1.462 175.150 176.600 0.020 0.000 1.000 95 E CA -1.113 55.309 56.400 0.037 0.000 0.914 95 E CB 1.180 30.916 29.700 0.060 0.000 0.948 95 E HN 0.575 nan 8.360 nan 0.000 0.444 96 P HA 0.100 nan 4.420 nan 0.000 0.261 96 P C -0.068 177.228 177.300 -0.007 0.000 1.268 96 P CA 0.170 63.263 63.100 -0.012 0.000 0.833 96 P CB 0.643 32.321 31.700 -0.036 0.000 1.231 97 E N 0.676 120.873 120.200 -0.005 0.000 2.153 97 E HA -0.151 4.203 4.350 0.006 0.000 0.194 97 E C 2.229 178.804 176.600 -0.042 0.000 0.988 97 E CA 0.974 57.365 56.400 -0.016 0.000 0.811 97 E CB -0.491 29.198 29.700 -0.017 0.000 0.746 97 E HN 0.209 nan 8.360 nan 0.000 0.466 98 R N 0.557 121.035 120.500 -0.036 0.000 2.070 98 R HA -0.190 4.154 4.340 0.006 0.000 0.233 98 R C 2.118 178.390 176.300 -0.045 0.000 1.137 98 R CA 1.829 57.873 56.100 -0.092 0.000 0.945 98 R CB -0.242 30.077 30.300 0.032 0.000 0.845 98 R HN 0.132 nan 8.270 nan 0.000 0.430 99 N N 0.361 119.136 118.700 0.125 0.000 2.069 99 N HA -0.197 4.547 4.740 0.006 0.000 0.191 99 N C 1.578 177.184 175.510 0.160 0.000 1.031 99 N CA 1.694 54.887 53.050 0.239 0.000 0.852 99 N CB -0.097 38.424 38.487 0.056 0.000 1.018 99 N HN 0.199 nan 8.380 nan 0.000 0.423 100 E N 0.209 120.440 120.200 0.051 0.000 2.097 100 E HA -0.203 4.151 4.350 0.006 0.000 0.196 100 E C 2.174 178.786 176.600 0.020 0.000 1.000 100 E CA 0.866 57.291 56.400 0.042 0.000 0.804 100 E CB -1.088 28.635 29.700 0.039 0.000 0.740 100 E HN 0.495 nan 8.360 nan 0.000 0.454 101 c N 0.144 118.714 118.600 -0.050 0.000 2.413 101 c HA -0.189 4.384 4.570 0.006 0.000 0.276 101 c C 2.605 176.689 174.090 -0.010 0.000 1.236 101 c CA 0.675 56.952 56.329 -0.086 0.000 1.735 101 c CB -1.427 40.949 42.510 -0.223 0.000 2.031 101 c HN 0.306 nan 8.230 nan 0.000 0.474 102 F N 0.547 120.608 119.950 0.184 0.000 2.102 102 F HA -0.063 4.467 4.527 0.005 0.000 0.298 102 F C 2.191 178.153 175.800 0.269 0.000 1.105 102 F CA 1.197 59.351 58.000 0.257 0.000 1.239 102 F CB -1.229 37.903 39.000 0.219 0.000 0.991 102 F HN 0.098 nan 8.300 nan 0.000 0.474 103 L N 0.279 121.720 121.223 0.364 0.000 1.990 103 L HA -0.273 4.070 4.340 0.006 0.000 0.213 103 L C 2.374 179.303 176.870 0.098 0.000 1.072 103 L CA 1.865 56.819 54.840 0.190 0.000 0.755 103 L CB -1.644 40.426 42.059 0.019 0.000 0.889 103 L HN 0.303 nan 8.230 nan 0.000 0.432 104 Q N -1.483 118.305 119.800 -0.019 0.000 2.234 104 Q HA -0.180 4.164 4.340 0.006 0.000 0.206 104 Q C 1.262 177.100 176.000 -0.269 0.000 0.980 104 Q CA 1.142 56.835 55.803 -0.183 0.000 0.869 104 Q CB -0.153 28.370 28.738 -0.358 0.000 0.912 104 Q HN 0.634 nan 8.270 nan 0.000 0.436 105 H N 0.025 119.171 119.070 0.128 0.000 2.517 105 H HA 0.193 4.753 4.556 0.006 0.000 0.282 105 H C -0.070 175.336 175.328 0.131 0.000 1.023 105 H CA 0.075 56.199 56.048 0.126 0.000 1.169 105 H CB 0.178 30.015 29.762 0.124 0.000 1.454 105 H HN 0.083 nan 8.280 nan 0.000 0.556 106 K N 2.061 122.558 120.400 0.163 0.000 2.312 106 K HA 0.033 4.357 4.320 0.006 0.000 0.287 106 K C -0.796 175.853 176.600 0.082 0.000 1.062 106 K CA -0.404 55.910 56.287 0.044 0.000 0.934 106 K CB 0.546 32.949 32.500 -0.160 0.000 1.027 106 K HN -0.024 nan 8.250 nan 0.000 0.478 107 D N 3.531 123.968 120.400 0.063 0.000 2.325 107 D HA 0.089 4.732 4.640 0.006 0.000 0.251 107 D C 1.007 177.353 176.300 0.078 0.000 1.196 107 D CA 0.429 54.483 54.000 0.089 0.000 0.866 107 D CB 1.148 41.998 40.800 0.083 0.000 1.101 107 D HN 0.668 nan 8.370 nan 0.000 0.476 108 D N 3.259 123.781 120.400 0.203 0.000 2.264 108 D HA -0.111 4.533 4.640 0.006 0.000 0.208 108 D C 0.160 176.531 176.300 0.119 0.000 0.966 108 D CA 0.745 54.922 54.000 0.296 0.000 0.864 108 D CB -0.544 40.459 40.800 0.339 0.000 0.933 108 D HN 0.651 nan 8.370 nan 0.000 0.499 109 N N -0.747 117.988 118.700 0.059 0.000 2.827 109 N HA 0.306 5.050 4.740 0.006 0.000 0.240 109 N C -3.184 172.327 175.510 0.002 0.000 1.352 109 N CA -1.197 51.856 53.050 0.006 0.000 0.760 109 N CB 1.628 40.123 38.487 0.014 0.000 1.426 109 N HN 0.120 nan 8.380 nan 0.000 0.561 110 P HA 0.226 nan 4.420 nan 0.000 0.279 110 P C -0.443 176.850 177.300 -0.012 0.000 1.282 110 P CA -0.293 62.806 63.100 -0.000 0.000 0.788 110 P CB 0.499 32.200 31.700 0.002 0.000 1.139 111 N N 0.748 119.446 118.700 -0.004 0.000 3.105 111 N HA 0.417 5.160 4.740 0.006 0.000 0.256 111 N C -0.120 175.382 175.510 -0.014 0.000 1.174 111 N CA -0.501 52.544 53.050 -0.008 0.000 1.030 111 N CB -0.673 37.813 38.487 -0.001 0.000 1.305 111 N HN 0.259 nan 8.380 nan 0.000 0.509 112 L N 0.404 121.611 121.223 -0.027 0.000 2.331 112 L HA 0.615 4.958 4.340 0.006 0.000 0.275 112 L C -1.844 175.009 176.870 -0.029 0.000 1.022 112 L CA -1.915 52.905 54.840 -0.033 0.000 0.812 112 L CB 1.723 43.746 42.059 -0.059 0.000 1.257 112 L HN 0.331 nan 8.230 nan 0.000 0.435 113 P HA 0.205 nan 4.420 nan 0.000 0.269 113 P C -0.282 177.009 177.300 -0.015 0.000 1.215 113 P CA -0.405 62.686 63.100 -0.015 0.000 0.780 113 P CB 0.377 32.071 31.700 -0.011 0.000 0.898 114 R N 1.598 122.096 120.500 -0.003 0.000 2.570 114 R HA 0.099 4.443 4.340 0.006 0.000 0.277 114 R C -0.091 176.215 176.300 0.011 0.000 1.039 114 R CA -0.266 55.838 56.100 0.006 0.000 1.065 114 R CB -0.933 29.377 30.300 0.017 0.000 0.964 114 R HN 0.530 nan 8.270 nan 0.000 0.428 115 L N 3.650 124.885 121.223 0.019 0.000 2.315 115 L HA 0.357 4.701 4.340 0.006 0.000 0.283 115 L C 0.467 177.374 176.870 0.062 0.000 1.089 115 L CA -0.183 54.676 54.840 0.033 0.000 0.833 115 L CB 1.321 43.406 42.059 0.044 0.000 1.170 115 L HN 0.673 nan 8.230 nan 0.000 0.442 116 V N 3.544 123.498 119.914 0.066 0.000 2.743 116 V HA 0.561 4.684 4.120 0.006 0.000 0.301 116 V C 0.199 176.357 176.094 0.108 0.000 1.057 116 V CA -0.939 61.406 62.300 0.074 0.000 1.006 116 V CB 1.338 33.196 31.823 0.059 0.000 1.024 116 V HN 0.830 nan 8.190 nan 0.000 0.473 117 R N 4.849 125.406 120.500 0.095 0.000 2.202 117 R HA 0.479 4.822 4.340 0.006 0.000 0.334 117 R C -2.123 174.240 176.300 0.105 0.000 1.036 117 R CA -1.466 54.696 56.100 0.104 0.000 0.878 117 R CB 0.946 31.297 30.300 0.084 0.000 1.067 117 R HN 0.860 nan 8.270 nan 0.000 0.457 118 P HA 0.063 nan 4.420 nan 0.000 0.277 118 P C -0.889 176.480 177.300 0.114 0.000 1.276 118 P CA -0.421 62.754 63.100 0.126 0.000 0.788 118 P CB 0.560 32.359 31.700 0.165 0.000 1.114 119 E N -0.703 119.556 120.200 0.098 0.000 2.373 119 E HA 0.035 4.388 4.350 0.006 0.000 0.267 119 E C 1.625 178.285 176.600 0.099 0.000 1.032 119 E CA -0.332 56.117 56.400 0.083 0.000 0.889 119 E CB 0.415 30.154 29.700 0.064 0.000 0.984 119 E HN 0.267 nan 8.360 nan 0.000 0.425 120 V N 1.737 121.701 119.914 0.083 0.000 2.313 120 V HA -0.318 3.806 4.120 0.006 0.000 0.253 120 V C 1.903 178.055 176.094 0.097 0.000 1.070 120 V CA 2.347 64.701 62.300 0.090 0.000 1.057 120 V CB -0.493 31.358 31.823 0.047 0.000 0.653 120 V HN 0.704 nan 8.190 nan 0.000 0.450 121 D N -0.037 120.406 120.400 0.071 0.000 2.117 121 D HA -0.124 4.520 4.640 0.006 0.000 0.197 121 D C 2.207 178.550 176.300 0.072 0.000 0.987 121 D CA 1.771 55.807 54.000 0.061 0.000 0.829 121 D CB -0.362 40.463 40.800 0.042 0.000 0.961 121 D HN 0.538 nan 8.370 nan 0.000 0.460 122 V N -1.131 118.835 119.914 0.087 0.000 2.427 122 V HA -0.187 3.937 4.120 0.006 0.000 0.248 122 V C 2.236 178.402 176.094 0.120 0.000 1.051 122 V CA 1.107 63.467 62.300 0.100 0.000 1.048 122 V CB -0.631 31.259 31.823 0.111 0.000 0.666 122 V HN 0.043 nan 8.190 nan 0.000 0.456 123 M N -0.208 119.483 119.600 0.152 0.000 2.067 123 M HA -0.141 4.342 4.480 0.006 0.000 0.260 123 M C 2.491 178.741 176.300 -0.084 0.000 1.069 123 M CA 2.353 57.739 55.300 0.143 0.000 1.117 123 M CB -0.829 31.971 32.600 0.333 0.000 1.334 123 M HN 0.502 nan 8.290 nan 0.000 0.407 124 c N 0.222 118.877 118.600 0.091 0.000 2.425 124 c HA -0.125 4.448 4.570 0.006 0.000 0.277 124 c C 2.926 177.070 174.090 0.090 0.000 1.280 124 c CA 1.403 57.819 56.329 0.145 0.000 1.744 124 c CB -1.006 41.603 42.510 0.164 0.000 1.989 124 c HN 0.575 nan 8.230 nan 0.000 0.491 125 T N 0.737 115.318 114.554 0.045 0.000 2.812 125 T HA -0.061 4.293 4.350 0.006 0.000 0.264 125 T C 2.084 176.800 174.700 0.025 0.000 1.042 125 T CA 1.467 63.594 62.100 0.044 0.000 1.140 125 T CB -0.322 68.569 68.868 0.039 0.000 0.870 125 T HN 0.624 nan 8.240 nan 0.000 0.445 126 A N 1.042 123.843 122.820 -0.032 0.000 1.930 126 A HA 0.007 4.331 4.320 0.006 0.000 0.217 126 A C 1.971 179.409 177.584 -0.243 0.000 1.175 126 A CA 1.141 53.162 52.037 -0.027 0.000 0.627 126 A CB -0.839 18.261 19.000 0.166 0.000 0.815 126 A HN 0.467 nan 8.150 nan 0.000 0.443 127 F N 0.556 120.009 119.950 -0.829 0.000 2.051 127 F HA -0.170 4.361 4.527 0.006 0.000 0.296 127 F C 2.205 177.821 175.800 -0.307 0.000 1.122 127 F CA 2.182 59.642 58.000 -0.900 0.000 1.201 127 F CB -1.033 37.395 39.000 -0.954 0.000 0.978 127 F HN 0.511 nan 8.300 nan 0.000 0.472 128 H N -0.362 118.463 119.070 -0.409 0.000 2.319 128 H HA -0.165 4.395 4.556 0.006 0.000 0.299 128 H C 1.692 176.861 175.328 -0.266 0.000 1.092 128 H CA 2.405 58.220 56.048 -0.389 0.000 1.302 128 H CB -0.685 28.975 29.762 -0.171 0.000 1.373 128 H HN 0.201 nan 8.280 nan 0.000 0.497 129 D N -0.559 119.739 120.400 -0.170 0.000 2.378 129 D HA -0.041 4.603 4.640 0.006 0.000 0.222 129 D C -0.045 176.169 176.300 -0.144 0.000 0.980 129 D CA 0.777 54.691 54.000 -0.143 0.000 0.907 129 D CB 0.013 40.830 40.800 0.027 0.000 0.899 129 D HN 0.356 nan 8.370 nan 0.000 0.527 130 N N -0.182 118.423 118.700 -0.158 0.000 3.664 130 N HA -0.098 4.645 4.740 0.006 0.000 0.139 130 N C 0.433 175.936 175.510 -0.010 0.000 1.286 130 N CA -0.088 52.922 53.050 -0.065 0.000 1.541 130 N CB -0.370 38.130 38.487 0.022 0.000 1.689 130 N HN -0.089 nan 8.380 nan 0.000 0.695 131 E N 0.533 120.654 120.200 -0.131 0.000 2.108 131 E HA -0.301 4.053 4.350 0.006 0.000 0.203 131 E C 1.119 177.814 176.600 0.159 0.000 1.022 131 E CA 2.023 58.397 56.400 -0.043 0.000 0.823 131 E CB 0.235 29.814 29.700 -0.202 0.000 0.744 131 E HN 0.654 nan 8.360 nan 0.000 0.456 132 E N -0.515 119.745 120.200 0.101 0.000 2.017 132 E HA -0.199 4.154 4.350 0.006 0.000 0.193 132 E C 2.146 178.849 176.600 0.172 0.000 0.997 132 E CA 2.288 58.767 56.400 0.132 0.000 0.804 132 E CB -0.282 29.475 29.700 0.095 0.000 0.757 132 E HN 0.383 nan 8.360 nan 0.000 0.448 133 T N -1.341 113.316 114.554 0.173 0.000 2.833 133 T HA -0.196 4.157 4.350 0.006 0.000 0.269 133 T C 1.765 176.529 174.700 0.106 0.000 1.054 133 T CA 1.166 63.384 62.100 0.196 0.000 1.135 133 T CB -0.586 68.402 68.868 0.199 0.000 0.869 133 T HN 0.305 nan 8.240 nan 0.000 0.466 134 F N 1.705 121.680 119.950 0.042 0.000 2.102 134 F HA 0.144 4.674 4.527 0.006 0.000 0.298 134 F C 1.932 177.775 175.800 0.071 0.000 1.105 134 F CA 1.232 59.261 58.000 0.048 0.000 1.239 134 F CB -0.264 38.778 39.000 0.070 0.000 0.991 134 F HN 0.126 nan 8.300 nan 0.000 0.474 135 L N -0.283 121.029 121.223 0.148 0.000 2.131 135 L HA -0.111 4.232 4.340 0.006 0.000 0.206 135 L C 2.371 179.252 176.870 0.018 0.000 1.087 135 L CA 0.649 55.526 54.840 0.063 0.000 0.767 135 L CB -0.598 41.569 42.059 0.181 0.000 0.917 135 L HN -0.064 nan 8.230 nan 0.000 0.441 136 K N 0.556 120.996 120.400 0.066 0.000 2.103 136 K HA -0.147 4.176 4.320 0.006 0.000 0.204 136 K C 1.972 178.559 176.600 -0.022 0.000 1.052 136 K CA 1.033 57.398 56.287 0.130 0.000 0.945 136 K CB -0.186 32.498 32.500 0.305 0.000 0.722 136 K HN 0.191 nan 8.250 nan 0.000 0.443 137 K N -0.144 119.998 120.400 -0.431 0.000 2.057 137 K HA -0.144 4.179 4.320 0.006 0.000 0.207 137 K C 1.945 178.231 176.600 -0.523 0.000 1.049 137 K CA 1.317 56.997 56.287 -1.012 0.000 0.931 137 K CB -0.106 31.750 32.500 -1.073 0.000 0.714 137 K HN 0.028 nan 8.250 nan 0.000 0.440 138 Y N 0.022 120.084 120.300 -0.397 0.000 2.286 138 Y HA -0.120 4.434 4.550 0.006 0.000 0.293 138 Y C 1.866 177.634 175.900 -0.219 0.000 1.124 138 Y CA 0.651 58.550 58.100 -0.335 0.000 1.178 138 Y CB -0.043 38.138 38.460 -0.464 0.000 1.010 138 Y HN 0.072 nan 8.280 nan 0.000 0.536 139 L N -0.568 120.645 121.223 -0.016 0.000 2.079 139 L HA -0.254 4.089 4.340 0.006 0.000 0.210 139 L C 2.232 179.107 176.870 0.008 0.000 1.081 139 L CA 1.821 56.654 54.840 -0.010 0.000 0.752 139 L CB -1.171 40.906 42.059 0.031 0.000 0.896 139 L HN 0.393 nan 8.230 nan 0.000 0.433 140 Y N 0.214 120.466 120.300 -0.080 0.000 2.163 140 Y HA -0.180 4.373 4.550 0.006 0.000 0.288 140 Y C 2.326 178.173 175.900 -0.087 0.000 1.136 140 Y CA 1.929 59.999 58.100 -0.049 0.000 1.147 140 Y CB -0.272 38.232 38.460 0.073 0.000 0.987 140 Y HN 0.250 nan 8.280 nan 0.000 0.509 141 E N 0.437 120.399 120.200 -0.398 0.000 2.118 141 E HA -0.174 4.180 4.350 0.006 0.000 0.195 141 E C 2.225 178.665 176.600 -0.265 0.000 0.992 141 E CA 1.366 57.494 56.400 -0.454 0.000 0.804 141 E CB -0.202 29.291 29.700 -0.346 0.000 0.741 141 E HN 0.516 nan 8.360 nan 0.000 0.458 142 I N 0.932 121.415 120.570 -0.146 0.000 2.233 142 I HA -0.128 4.045 4.170 0.006 0.000 0.243 142 I C 2.474 178.586 176.117 -0.008 0.000 1.093 142 I CA 0.933 62.213 61.300 -0.033 0.000 1.380 142 I CB -1.655 36.304 38.000 -0.069 0.000 1.067 142 I HN -0.070 nan 8.210 nan 0.000 0.413 143 A N 2.041 124.805 122.820 -0.093 0.000 1.940 143 A HA -0.217 4.106 4.320 0.006 0.000 0.219 143 A C 2.401 179.918 177.584 -0.112 0.000 1.176 143 A CA 1.823 53.809 52.037 -0.084 0.000 0.631 143 A CB -0.684 18.261 19.000 -0.092 0.000 0.814 143 A HN 0.555 nan 8.150 nan 0.000 0.446 144 R N -0.741 119.632 120.500 -0.212 0.000 2.189 144 R HA -0.009 4.335 4.340 0.006 0.000 0.223 144 R C 1.780 177.969 176.300 -0.185 0.000 1.092 144 R CA 1.304 57.278 56.100 -0.210 0.000 0.989 144 R CB -0.329 29.775 30.300 -0.326 0.000 0.876 144 R HN 0.441 nan 8.270 nan 0.000 0.457 145 R N -0.058 120.315 120.500 -0.212 0.000 2.246 145 R HA 0.067 4.411 4.340 0.006 0.000 0.199 145 R C -0.117 175.837 176.300 -0.576 0.000 0.984 145 R CA 0.606 56.498 56.100 -0.348 0.000 1.015 145 R CB 0.233 30.316 30.300 -0.362 0.000 0.930 145 R HN 0.412 nan 8.270 nan 0.000 0.475 146 H N -0.254 118.812 119.070 -0.006 0.000 2.429 146 H HA 0.141 4.701 4.556 0.005 0.000 0.231 146 H C -1.956 173.386 175.328 0.022 0.000 1.416 146 H CA -1.552 54.541 56.048 0.076 0.000 1.443 146 H CB 1.213 31.115 29.762 0.233 0.000 1.591 146 H HN -0.029 nan 8.280 nan 0.000 0.507 147 P HA -0.165 nan 4.420 nan 0.000 0.230 147 P C 0.288 177.331 177.300 -0.429 0.000 1.158 147 P CA 1.205 64.121 63.100 -0.306 0.000 0.769 147 P CB 0.277 31.687 31.700 -0.484 0.000 0.807 148 Y N -2.184 118.168 120.300 0.086 0.000 2.458 148 Y HA 0.257 4.811 4.550 0.006 0.000 0.256 148 Y C 1.170 177.180 175.900 0.184 0.000 1.159 148 Y CA -0.663 57.488 58.100 0.086 0.000 1.261 148 Y CB -0.099 38.387 38.460 0.043 0.000 1.119 148 Y HN -0.187 nan 8.280 nan 0.000 0.524 149 F N 1.426 121.473 119.950 0.162 0.000 2.502 149 F HA 0.013 4.543 4.527 0.007 0.000 0.371 149 F C 0.323 176.221 175.800 0.163 0.000 1.083 149 F CA -1.112 56.981 58.000 0.154 0.000 1.174 149 F CB 0.200 39.257 39.000 0.094 0.000 1.096 149 F HN 0.006 nan 8.300 nan 0.000 0.545 150 Y N 6.705 127.310 120.300 0.508 0.000 2.804 150 Y HA 0.011 4.564 4.550 0.006 0.000 0.338 150 Y C 1.022 177.057 175.900 0.224 0.000 1.252 150 Y CA -0.007 58.269 58.100 0.293 0.000 1.576 150 Y CB 0.382 38.989 38.460 0.245 0.000 1.223 150 Y HN 0.776 nan 8.280 nan 0.000 0.536 151 A N 7.664 130.312 122.820 -0.288 0.000 1.869 151 A HA -0.217 4.106 4.320 0.006 0.000 0.218 151 A C -0.250 177.138 177.584 -0.327 0.000 1.203 151 A CA 2.070 53.922 52.037 -0.308 0.000 0.638 151 A CB -1.892 16.924 19.000 -0.307 0.000 0.831 151 A HN 0.715 nan 8.150 nan 0.000 0.450 152 P HA -0.175 nan 4.420 nan 0.000 0.216 152 P C 1.363 178.635 177.300 -0.048 0.000 1.150 152 P CA 1.712 64.654 63.100 -0.264 0.000 0.843 152 P CB 0.014 31.539 31.700 -0.291 0.000 0.787 153 E N -0.713 119.530 120.200 0.072 0.000 2.106 153 E HA -0.151 4.202 4.350 0.006 0.000 0.192 153 E C 1.711 178.496 176.600 0.310 0.000 0.984 153 E CA 0.765 57.352 56.400 0.310 0.000 0.806 153 E CB -1.128 28.965 29.700 0.654 0.000 0.750 153 E HN 0.013 nan 8.360 nan 0.000 0.458 154 L N -0.035 121.193 121.223 0.008 0.000 2.156 154 L HA 0.014 4.357 4.340 0.006 0.000 0.208 154 L C 2.028 178.912 176.870 0.023 0.000 1.095 154 L CA 1.217 55.945 54.840 -0.187 0.000 0.770 154 L CB -0.696 41.106 42.059 -0.429 0.000 0.914 154 L HN 0.298 nan 8.230 nan 0.000 0.439 155 L N -1.226 120.004 121.223 0.012 0.000 2.093 155 L HA -0.167 4.176 4.340 0.006 0.000 0.208 155 L C 2.339 179.247 176.870 0.063 0.000 1.085 155 L CA 1.679 56.533 54.840 0.024 0.000 0.755 155 L CB -0.961 41.092 42.059 -0.010 0.000 0.904 155 L HN 0.376 nan 8.230 nan 0.000 0.435 156 F N -0.661 119.230 119.950 -0.099 0.000 2.126 156 F HA -0.281 4.250 4.527 0.006 0.000 0.299 156 F C 1.949 177.640 175.800 -0.182 0.000 1.096 156 F CA 1.632 59.501 58.000 -0.219 0.000 1.255 156 F CB -0.512 38.191 39.000 -0.495 0.000 0.997 156 F HN 0.084 nan 8.300 nan 0.000 0.479 157 F N 0.717 120.635 119.950 -0.053 0.000 2.134 157 F HA -0.085 4.445 4.527 0.005 0.000 0.299 157 F C 2.647 178.473 175.800 0.043 0.000 1.097 157 F CA 1.373 59.338 58.000 -0.059 0.000 1.264 157 F CB -1.326 37.748 39.000 0.122 0.000 1.001 157 F HN 0.091 nan 8.300 nan 0.000 0.479 158 A N 0.137 123.085 122.820 0.213 0.000 1.908 158 A HA -0.245 4.078 4.320 0.006 0.000 0.218 158 A C 2.181 179.843 177.584 0.131 0.000 1.181 158 A CA 1.905 54.047 52.037 0.174 0.000 0.627 158 A CB -0.645 18.403 19.000 0.079 0.000 0.818 158 A HN 0.380 nan 8.150 nan 0.000 0.445 159 K N -0.805 119.594 120.400 -0.003 0.000 2.217 159 K HA -0.052 4.271 4.320 0.006 0.000 0.202 159 K C 2.171 178.720 176.600 -0.085 0.000 1.051 159 K CA 1.109 57.373 56.287 -0.037 0.000 0.952 159 K CB -0.121 32.326 32.500 -0.090 0.000 0.736 159 K HN 0.403 nan 8.250 nan 0.000 0.453 160 R N -0.405 119.972 120.500 -0.205 0.000 2.115 160 R HA -0.072 4.272 4.340 0.006 0.000 0.226 160 R C 1.823 178.034 176.300 -0.148 0.000 1.100 160 R CA 1.143 57.090 56.100 -0.256 0.000 0.980 160 R CB -0.149 29.890 30.300 -0.435 0.000 0.875 160 R HN 0.214 nan 8.270 nan 0.000 0.445 161 Y N 0.566 120.855 120.300 -0.019 0.000 2.220 161 Y HA -0.231 4.322 4.550 0.005 0.000 0.291 161 Y C 2.735 178.729 175.900 0.156 0.000 1.129 161 Y CA 1.273 59.417 58.100 0.072 0.000 1.161 161 Y CB -0.177 38.360 38.460 0.128 0.000 0.997 161 Y HN -0.172 nan 8.280 nan 0.000 0.522 162 K N 0.283 120.843 120.400 0.268 0.000 2.063 162 K HA -0.162 4.162 4.320 0.006 0.000 0.208 162 K C 2.249 178.943 176.600 0.157 0.000 1.048 162 K CA 1.083 57.504 56.287 0.224 0.000 0.928 162 K CB -0.921 31.695 32.500 0.193 0.000 0.713 162 K HN 0.427 nan 8.250 nan 0.000 0.442 163 A N 0.320 123.182 122.820 0.070 0.000 1.898 163 A HA 0.125 4.448 4.320 0.006 0.000 0.216 163 A C 2.514 180.079 177.584 -0.031 0.000 1.181 163 A CA 1.938 53.988 52.037 0.022 0.000 0.620 163 A CB -1.049 17.932 19.000 -0.032 0.000 0.819 163 A HN 0.668 nan 8.150 nan 0.000 0.442 164 A N -1.381 121.372 122.820 -0.113 0.000 1.972 164 A HA 0.036 4.359 4.320 0.006 0.000 0.219 164 A C 1.911 179.289 177.584 -0.343 0.000 1.169 164 A CA 1.436 53.321 52.037 -0.253 0.000 0.635 164 A CB -0.640 18.127 19.000 -0.387 0.000 0.810 164 A HN 0.460 nan 8.150 nan 0.000 0.446 165 F N -0.090 119.705 119.950 -0.258 0.000 2.149 165 F HA -0.054 4.476 4.527 0.006 0.000 0.294 165 F C 2.766 178.462 175.800 -0.172 0.000 1.095 165 F CA 1.743 59.456 58.000 -0.479 0.000 1.276 165 F CB -0.912 37.278 39.000 -1.351 0.000 1.023 165 F HN 0.093 nan 8.300 nan 0.000 0.480 166 T N -0.507 114.161 114.554 0.190 0.000 2.665 166 T HA -0.267 4.086 4.350 0.006 0.000 0.268 166 T C 1.919 176.720 174.700 0.169 0.000 1.035 166 T CA 1.868 64.166 62.100 0.329 0.000 1.151 166 T CB -0.291 68.732 68.868 0.258 0.000 0.862 166 T HN 0.337 nan 8.240 nan 0.000 0.438 167 E N -0.486 119.754 120.200 0.066 0.000 2.028 167 E HA -0.110 4.243 4.350 0.006 0.000 0.190 167 E C 2.299 178.903 176.600 0.007 0.000 0.984 167 E CA 1.157 57.571 56.400 0.023 0.000 0.800 167 E CB -0.104 29.585 29.700 -0.019 0.000 0.758 167 E HN 0.465 nan 8.360 nan 0.000 0.448 168 c N 0.234 118.810 118.600 -0.040 0.000 2.467 168 c HA -0.006 4.567 4.570 0.006 0.000 0.279 168 c C 2.693 176.785 174.090 0.004 0.000 1.347 168 c CA -0.012 56.285 56.329 -0.054 0.000 1.748 168 c CB -0.774 41.646 42.510 -0.150 0.000 1.977 168 c HN 0.623 nan 8.230 nan 0.000 0.501 169 c N 0.438 119.083 118.600 0.075 0.000 2.449 169 c HA -0.073 4.500 4.570 0.006 0.000 0.283 169 c C 2.470 176.620 174.090 0.099 0.000 1.453 169 c CA 0.853 57.263 56.329 0.135 0.000 1.779 169 c CB -1.681 41.013 42.510 0.306 0.000 1.779 169 c HN 0.651 nan 8.230 nan 0.000 0.546 170 Q N 0.293 120.141 119.800 0.080 0.000 2.408 170 Q HA 0.237 4.581 4.340 0.006 0.000 0.205 170 Q C 1.078 177.094 176.000 0.027 0.000 0.919 170 Q CA -0.035 55.800 55.803 0.054 0.000 0.932 170 Q CB 0.157 28.929 28.738 0.057 0.000 1.058 170 Q HN 0.662 nan 8.270 nan 0.000 0.517 171 A N 0.409 123.240 122.820 0.018 0.000 2.406 171 A HA 0.374 4.697 4.320 0.006 0.000 0.243 171 A C 1.121 178.707 177.584 0.003 0.000 1.082 171 A CA 0.588 52.628 52.037 0.004 0.000 0.786 171 A CB 0.338 19.333 19.000 -0.008 0.000 1.029 171 A HN 0.335 nan 8.150 nan 0.000 0.495 172 A N 0.202 123.022 122.820 -0.001 0.000 1.897 172 A HA 0.051 4.375 4.320 0.006 0.000 0.215 172 A C 0.973 178.555 177.584 -0.003 0.000 1.181 172 A CA 1.793 53.829 52.037 -0.002 0.000 0.620 172 A CB -0.183 18.815 19.000 -0.003 0.000 0.821 172 A HN 0.750 nan 8.150 nan 0.000 0.443 173 D N -0.752 119.644 120.400 -0.006 0.000 2.485 173 D HA 0.349 4.992 4.640 0.006 0.000 0.256 173 D C 0.781 177.073 176.300 -0.013 0.000 1.141 173 D CA -0.245 53.750 54.000 -0.008 0.000 0.942 173 D CB 0.401 41.195 40.800 -0.010 0.000 1.003 173 D HN 0.227 nan 8.370 nan 0.000 0.507 174 K N 1.202 121.597 120.400 -0.009 0.000 2.034 174 K HA -0.213 4.111 4.320 0.006 0.000 0.214 174 K C 1.924 178.505 176.600 -0.031 0.000 1.051 174 K CA 1.801 58.079 56.287 -0.015 0.000 0.931 174 K CB -0.002 32.501 32.500 0.004 0.000 0.715 174 K HN 0.371 nan 8.250 nan 0.000 0.446 175 A N 1.342 124.150 122.820 -0.020 0.000 1.902 175 A HA -0.137 4.186 4.320 0.006 0.000 0.217 175 A C 2.391 179.955 177.584 -0.034 0.000 1.181 175 A CA 1.922 53.944 52.037 -0.025 0.000 0.623 175 A CB -0.887 18.108 19.000 -0.009 0.000 0.818 175 A HN 0.364 nan 8.150 nan 0.000 0.443 176 A N -1.423 121.381 122.820 -0.027 0.000 2.024 176 A HA -0.183 4.140 4.320 0.006 0.000 0.220 176 A C 2.343 179.903 177.584 -0.040 0.000 1.164 176 A CA 1.790 53.810 52.037 -0.028 0.000 0.643 176 A CB -1.153 17.834 19.000 -0.020 0.000 0.806 176 A HN 0.777 nan 8.150 nan 0.000 0.451 177 c N -1.804 116.765 118.600 -0.050 0.000 2.602 177 c HA 0.208 4.782 4.570 0.006 0.000 0.282 177 c C 2.365 176.391 174.090 -0.107 0.000 1.313 177 c CA 0.936 57.224 56.329 -0.068 0.000 1.699 177 c CB -1.150 41.323 42.510 -0.063 0.000 2.124 177 c HN 0.542 nan 8.230 nan 0.000 0.509 178 L N 0.962 122.105 121.223 -0.132 0.000 1.973 178 L HA 0.030 4.374 4.340 0.006 0.000 0.208 178 L C 2.316 179.087 176.870 -0.166 0.000 1.073 178 L CA 1.896 56.611 54.840 -0.208 0.000 0.746 178 L CB -1.072 40.840 42.059 -0.245 0.000 0.891 178 L HN 0.218 nan 8.230 nan 0.000 0.433 179 L N 0.543 121.706 121.223 -0.101 0.000 2.010 179 L HA -0.224 4.119 4.340 0.006 0.000 0.219 179 L C -0.324 176.511 176.870 -0.059 0.000 1.077 179 L CA 2.723 57.526 54.840 -0.062 0.000 0.773 179 L CB -2.689 39.352 42.059 -0.031 0.000 0.892 179 L HN 0.296 nan 8.230 nan 0.000 0.436 180 P HA -0.196 nan 4.420 nan 0.000 0.218 180 P C 1.430 178.690 177.300 -0.067 0.000 1.148 180 P CA 1.582 64.654 63.100 -0.047 0.000 0.822 180 P CB 0.014 31.690 31.700 -0.040 0.000 0.784 181 K N -0.566 119.769 120.400 -0.109 0.000 2.167 181 K HA 0.047 4.370 4.320 0.006 0.000 0.203 181 K C 2.351 178.846 176.600 -0.175 0.000 1.052 181 K CA 0.760 56.958 56.287 -0.149 0.000 0.956 181 K CB -0.353 32.025 32.500 -0.203 0.000 0.735 181 K HN 0.169 nan 8.250 nan 0.000 0.451 182 L N 0.983 122.116 121.223 -0.150 0.000 2.072 182 L HA -0.171 4.172 4.340 0.006 0.000 0.205 182 L C 1.894 178.757 176.870 -0.011 0.000 1.079 182 L CA 1.035 55.827 54.840 -0.080 0.000 0.752 182 L CB -0.407 41.642 42.059 -0.016 0.000 0.906 182 L HN 0.179 nan 8.230 nan 0.000 0.436 183 D N 0.016 120.409 120.400 -0.010 0.000 2.123 183 D HA -0.242 4.401 4.640 0.006 0.000 0.196 183 D C 1.995 178.305 176.300 0.016 0.000 0.992 183 D CA 1.357 55.366 54.000 0.015 0.000 0.833 183 D CB 0.058 40.864 40.800 0.010 0.000 0.954 183 D HN 0.397 nan 8.370 nan 0.000 0.455 184 E N 0.033 120.228 120.200 -0.009 0.000 2.072 184 E HA -0.163 4.191 4.350 0.006 0.000 0.191 184 E C 2.127 178.743 176.600 0.028 0.000 0.985 184 E CA 0.361 56.765 56.400 0.006 0.000 0.801 184 E CB 0.061 29.754 29.700 -0.012 0.000 0.750 184 E HN 0.014 nan 8.360 nan 0.000 0.452 185 L N 1.512 122.716 121.223 -0.032 0.000 2.042 185 L HA -0.174 4.170 4.340 0.006 0.000 0.210 185 L C 2.519 179.456 176.870 0.112 0.000 1.076 185 L CA 1.667 56.489 54.840 -0.029 0.000 0.749 185 L CB -0.919 40.883 42.059 -0.429 0.000 0.893 185 L HN 0.135 nan 8.230 nan 0.000 0.432 186 R N -0.441 120.128 120.500 0.114 0.000 2.070 186 R HA -0.169 4.174 4.340 0.006 0.000 0.233 186 R C 1.906 178.254 176.300 0.080 0.000 1.137 186 R CA 1.908 58.078 56.100 0.118 0.000 0.945 186 R CB -0.227 30.135 30.300 0.104 0.000 0.845 186 R HN 0.365 nan 8.270 nan 0.000 0.430 187 D N 0.309 120.755 120.400 0.076 0.000 2.097 187 D HA -0.199 4.445 4.640 0.006 0.000 0.195 187 D C 1.750 178.118 176.300 0.113 0.000 0.989 187 D CA 1.277 55.322 54.000 0.074 0.000 0.827 187 D CB -0.346 40.487 40.800 0.055 0.000 0.966 187 D HN 0.418 nan 8.370 nan 0.000 0.456 188 E N 0.183 120.480 120.200 0.162 0.000 2.118 188 E HA -0.145 4.208 4.350 0.006 0.000 0.195 188 E C 2.084 178.852 176.600 0.280 0.000 0.992 188 E CA 1.237 57.798 56.400 0.269 0.000 0.804 188 E CB -0.166 29.740 29.700 0.343 0.000 0.741 188 E HN 0.292 nan 8.360 nan 0.000 0.458 189 G N 0.687 109.549 108.800 0.104 0.000 2.394 189 G HA2 -0.223 3.741 3.960 0.006 0.000 0.215 189 G HA3 -0.223 3.741 3.960 0.006 0.000 0.215 189 G C 1.405 176.256 174.900 -0.083 0.000 1.165 189 G CA 0.524 45.485 45.100 -0.232 0.000 0.784 189 G HN 0.134 nan 8.290 nan 0.000 0.535 190 K N 0.646 121.035 120.400 -0.019 0.000 2.097 190 K HA 0.030 4.353 4.320 0.006 0.000 0.206 190 K C 2.892 179.492 176.600 0.001 0.000 1.049 190 K CA 0.959 57.237 56.287 -0.014 0.000 0.933 190 K CB -0.171 32.343 32.500 0.023 0.000 0.717 190 K HN 0.271 nan 8.250 nan 0.000 0.442 191 A N 0.948 123.803 122.820 0.059 0.000 1.873 191 A HA -0.174 4.149 4.320 0.006 0.000 0.215 191 A C 2.252 179.867 177.584 0.052 0.000 1.186 191 A CA 1.931 54.020 52.037 0.087 0.000 0.616 191 A CB -0.720 18.385 19.000 0.176 0.000 0.823 191 A HN 0.260 nan 8.150 nan 0.000 0.442 192 S N -0.681 115.069 115.700 0.084 0.000 2.370 192 S HA -0.171 4.302 4.470 0.006 0.000 0.226 192 S C 2.361 176.847 174.600 -0.190 0.000 1.033 192 S CA 2.039 60.279 58.200 0.067 0.000 1.011 192 S CB -0.467 62.919 63.200 0.309 0.000 0.852 192 S HN 0.621 nan 8.310 nan 0.000 0.457 193 S N 0.582 116.083 115.700 -0.331 0.000 2.356 193 S HA -0.039 4.435 4.470 0.006 0.000 0.223 193 S C 2.115 176.577 174.600 -0.229 0.000 1.032 193 S CA 1.496 59.397 58.200 -0.498 0.000 1.005 193 S CB -0.807 62.166 63.200 -0.378 0.000 0.867 193 S HN 0.691 nan 8.310 nan 0.000 0.449 194 A N 1.292 124.045 122.820 -0.113 0.000 1.902 194 A HA -0.100 4.224 4.320 0.006 0.000 0.217 194 A C 2.100 179.648 177.584 -0.060 0.000 1.181 194 A CA 1.649 53.651 52.037 -0.058 0.000 0.623 194 A CB -0.551 18.438 19.000 -0.019 0.000 0.818 194 A HN 0.631 nan 8.150 nan 0.000 0.443 195 K N -0.826 119.541 120.400 -0.055 0.000 2.147 195 K HA -0.188 4.136 4.320 0.006 0.000 0.205 195 K C 2.303 178.865 176.600 -0.064 0.000 1.049 195 K CA 1.511 57.768 56.287 -0.051 0.000 0.936 195 K CB -0.105 32.383 32.500 -0.020 0.000 0.722 195 K HN 0.693 nan 8.250 nan 0.000 0.446 196 Q N 1.055 120.804 119.800 -0.084 0.000 2.049 196 Q HA -0.085 4.258 4.340 0.006 0.000 0.198 196 Q C 1.991 177.954 176.000 -0.062 0.000 0.971 196 Q CA 1.271 57.031 55.803 -0.071 0.000 0.833 196 Q CB 0.198 28.843 28.738 -0.155 0.000 0.896 196 Q HN 0.161 nan 8.270 nan 0.000 0.434 197 R N -0.169 120.285 120.500 -0.076 0.000 2.115 197 R HA -0.095 4.248 4.340 0.006 0.000 0.226 197 R C 2.308 178.570 176.300 -0.063 0.000 1.100 197 R CA 0.897 56.959 56.100 -0.063 0.000 0.980 197 R CB -0.236 30.036 30.300 -0.047 0.000 0.875 197 R HN 0.270 nan 8.270 nan 0.000 0.445 198 L N 1.306 122.492 121.223 -0.062 0.000 2.027 198 L HA -0.181 4.162 4.340 0.006 0.000 0.206 198 L C 2.136 178.957 176.870 -0.082 0.000 1.074 198 L CA 1.849 56.651 54.840 -0.063 0.000 0.745 198 L CB -0.244 41.773 42.059 -0.069 0.000 0.898 198 L HN -0.200 nan 8.230 nan 0.000 0.433 199 K N -1.614 118.722 120.400 -0.106 0.000 2.209 199 K HA -0.110 4.213 4.320 0.006 0.000 0.204 199 K C 2.099 178.645 176.600 -0.090 0.000 1.048 199 K CA 1.290 57.502 56.287 -0.125 0.000 0.940 199 K CB -1.559 30.860 32.500 -0.136 0.000 0.729 199 K HN 0.649 nan 8.250 nan 0.000 0.451 200 c N 0.215 118.768 118.600 -0.078 0.000 2.475 200 c HA 0.196 4.769 4.570 0.006 0.000 0.279 200 c C 3.029 177.060 174.090 -0.100 0.000 1.322 200 c CA 0.414 56.685 56.329 -0.096 0.000 1.734 200 c CB -1.034 41.421 42.510 -0.091 0.000 2.005 200 c HN 0.675 nan 8.230 nan 0.000 0.495 201 A N 0.664 123.435 122.820 -0.082 0.000 1.933 201 A HA -0.127 4.196 4.320 0.006 0.000 0.218 201 A C 2.233 179.778 177.584 -0.066 0.000 1.175 201 A CA 2.213 54.202 52.037 -0.081 0.000 0.628 201 A CB -0.634 18.328 19.000 -0.062 0.000 0.814 201 A HN 0.556 nan 8.150 nan 0.000 0.444 202 S N -0.380 115.321 115.700 0.003 0.000 2.355 202 S HA -0.125 4.348 4.470 0.006 0.000 0.222 202 S C 1.797 176.469 174.600 0.119 0.000 1.031 202 S CA 1.332 59.626 58.200 0.156 0.000 0.993 202 S CB -0.452 62.830 63.200 0.137 0.000 0.859 202 S HN 0.476 nan 8.310 nan 0.000 0.453 203 L N 2.016 123.241 121.223 0.002 0.000 2.261 203 L HA -0.122 4.222 4.340 0.006 0.000 0.216 203 L C 2.549 179.371 176.870 -0.080 0.000 1.114 203 L CA 2.175 56.969 54.840 -0.077 0.000 0.777 203 L CB -1.203 40.674 42.059 -0.304 0.000 0.910 203 L HN 0.431 nan 8.230 nan 0.000 0.440 204 Q N -0.384 119.355 119.800 -0.101 0.000 2.061 204 Q HA -0.120 4.223 4.340 0.006 0.000 0.195 204 Q C 2.250 178.156 176.000 -0.157 0.000 0.967 204 Q CA 1.568 57.298 55.803 -0.121 0.000 0.829 204 Q CB -0.636 28.026 28.738 -0.127 0.000 0.900 204 Q HN 0.624 nan 8.270 nan 0.000 0.450 205 K N -0.177 120.064 120.400 -0.265 0.000 1.965 205 K HA 0.007 4.331 4.320 0.006 0.000 0.214 205 K C 1.945 178.290 176.600 -0.424 0.000 1.046 205 K CA 1.648 57.657 56.287 -0.464 0.000 0.944 205 K CB -0.379 31.587 32.500 -0.889 0.000 0.726 205 K HN 0.455 nan 8.250 nan 0.000 0.441 206 F N 0.924 120.869 119.950 -0.008 0.000 2.407 206 F HA 0.043 4.574 4.527 0.007 0.000 0.299 206 F C 1.422 177.236 175.800 0.023 0.000 1.097 206 F CA 0.536 58.542 58.000 0.010 0.000 1.422 206 F CB -0.266 38.745 39.000 0.018 0.000 1.067 206 F HN 0.312 nan 8.300 nan 0.000 0.539 207 G N 0.439 109.320 108.800 0.135 0.000 2.712 207 G HA2 -0.258 3.705 3.960 0.006 0.000 0.683 207 G HA3 -0.258 3.705 3.960 0.006 0.000 0.683 207 G C 0.278 175.262 174.900 0.139 0.000 1.320 207 G CA -0.075 45.084 45.100 0.098 0.000 0.847 207 G HN 0.255 nan 8.290 nan 0.000 0.553 208 E N -0.453 119.810 120.200 0.104 0.000 2.150 208 E HA -0.113 4.241 4.350 0.006 0.000 0.193 208 E C 2.475 179.192 176.600 0.195 0.000 0.985 208 E CA 1.242 57.727 56.400 0.143 0.000 0.814 208 E CB -0.027 29.724 29.700 0.086 0.000 0.752 208 E HN 0.512 nan 8.360 nan 0.000 0.466 209 R N 0.097 120.688 120.500 0.153 0.000 2.070 209 R HA -0.150 4.193 4.340 0.006 0.000 0.233 209 R C 2.261 178.657 176.300 0.160 0.000 1.137 209 R CA 1.490 57.676 56.100 0.144 0.000 0.945 209 R CB -0.338 30.033 30.300 0.117 0.000 0.845 209 R HN 0.180 nan 8.270 nan 0.000 0.430 210 A N 0.380 123.301 122.820 0.168 0.000 1.908 210 A HA -0.211 4.113 4.320 0.006 0.000 0.218 210 A C 2.023 179.718 177.584 0.184 0.000 1.181 210 A CA 1.453 53.579 52.037 0.149 0.000 0.627 210 A CB -0.847 18.235 19.000 0.137 0.000 0.818 210 A HN 0.542 nan 8.150 nan 0.000 0.445 211 F N 0.707 120.714 119.950 0.095 0.000 2.069 211 F HA -0.171 4.359 4.527 0.006 0.000 0.298 211 F C 2.208 178.101 175.800 0.155 0.000 1.113 211 F CA 2.276 60.332 58.000 0.092 0.000 1.214 211 F CB -0.279 38.742 39.000 0.034 0.000 0.978 211 F HN 0.121 nan 8.300 nan 0.000 0.474 212 K N 0.097 120.612 120.400 0.191 0.000 2.074 212 K HA -0.210 4.114 4.320 0.006 0.000 0.209 212 K C 2.277 178.892 176.600 0.025 0.000 1.048 212 K CA 1.306 57.650 56.287 0.095 0.000 0.926 212 K CB -0.594 31.997 32.500 0.153 0.000 0.713 212 K HN 0.396 nan 8.250 nan 0.000 0.444 213 A N 0.723 123.583 122.820 0.066 0.000 1.858 213 A HA -0.207 4.116 4.320 0.006 0.000 0.216 213 A C 1.926 179.503 177.584 -0.012 0.000 1.190 213 A CA 1.422 53.489 52.037 0.049 0.000 0.617 213 A CB -1.062 17.980 19.000 0.071 0.000 0.827 213 A HN 0.594 nan 8.150 nan 0.000 0.443 214 W N 0.652 121.839 121.300 -0.189 0.000 2.321 214 W HA -0.232 4.430 4.660 0.003 0.000 0.306 214 W C 2.454 178.800 176.519 -0.289 0.000 1.217 214 W CA 2.642 59.838 57.345 -0.248 0.000 1.257 214 W CB -0.143 29.125 29.460 -0.320 0.000 1.145 214 W HN 0.375 nan 8.180 nan 0.000 0.509 215 A N -0.756 121.951 122.820 -0.187 0.000 1.897 215 A HA -0.129 4.194 4.320 0.006 0.000 0.215 215 A C 2.003 179.449 177.584 -0.230 0.000 1.181 215 A CA 1.966 53.847 52.037 -0.259 0.000 0.620 215 A CB -1.168 17.695 19.000 -0.228 0.000 0.821 215 A HN 0.149 nan 8.150 nan 0.000 0.443 216 V N 0.017 119.852 119.914 -0.133 0.000 2.287 216 V HA -0.282 3.841 4.120 0.006 0.000 0.248 216 V C 3.058 179.092 176.094 -0.100 0.000 1.053 216 V CA 2.042 64.310 62.300 -0.052 0.000 1.027 216 V CB -1.233 30.622 31.823 0.054 0.000 0.646 216 V HN 0.621 nan 8.190 nan 0.000 0.447 217 A N 0.134 122.834 122.820 -0.200 0.000 1.858 217 A HA -0.262 4.061 4.320 0.006 0.000 0.216 217 A C 2.303 179.672 177.584 -0.358 0.000 1.190 217 A CA 2.211 54.092 52.037 -0.260 0.000 0.617 217 A CB -0.595 18.211 19.000 -0.324 0.000 0.827 217 A HN 0.439 nan 8.150 nan 0.000 0.443 218 R N 0.067 120.225 120.500 -0.570 0.000 2.083 218 R HA -0.043 4.300 4.340 0.006 0.000 0.237 218 R C 1.913 177.959 176.300 -0.424 0.000 1.137 218 R CA 1.729 57.463 56.100 -0.609 0.000 0.951 218 R CB -0.803 28.933 30.300 -0.941 0.000 0.851 218 R HN 0.526 nan 8.270 nan 0.000 0.434 219 L N -0.169 120.856 121.223 -0.329 0.000 2.275 219 L HA -0.070 4.274 4.340 0.006 0.000 0.215 219 L C 1.998 178.739 176.870 -0.215 0.000 1.119 219 L CA 1.196 55.863 54.840 -0.288 0.000 0.790 219 L CB -0.305 41.701 42.059 -0.087 0.000 0.919 219 L HN 0.228 nan 8.230 nan 0.000 0.443 220 S N -0.690 114.941 115.700 -0.116 0.000 2.414 220 S HA -0.120 4.353 4.470 0.006 0.000 0.227 220 S C 1.886 176.397 174.600 -0.147 0.000 1.022 220 S CA 0.779 58.965 58.200 -0.022 0.000 0.958 220 S CB 0.053 63.275 63.200 0.037 0.000 0.797 220 S HN 0.465 nan 8.310 nan 0.000 0.493 221 Q N 0.672 120.338 119.800 -0.223 0.000 2.119 221 Q HA 0.022 4.365 4.340 0.006 0.000 0.201 221 Q C 2.361 178.212 176.000 -0.249 0.000 0.972 221 Q CA 0.932 56.596 55.803 -0.231 0.000 0.847 221 Q CB -0.083 28.511 28.738 -0.241 0.000 0.903 221 Q HN 0.396 nan 8.270 nan 0.000 0.433 222 R N -0.197 120.076 120.500 -0.379 0.000 2.062 222 R HA -0.039 4.304 4.340 0.006 0.000 0.229 222 R C 0.191 176.272 176.300 -0.364 0.000 1.128 222 R CA 0.824 56.611 56.100 -0.521 0.000 0.960 222 R CB 0.209 29.931 30.300 -0.964 0.000 0.855 222 R HN 0.107 nan 8.270 nan 0.000 0.432 223 F N 1.254 121.185 119.950 -0.031 0.000 2.434 223 F HA 0.302 4.833 4.527 0.007 0.000 0.316 223 F C -1.639 174.170 175.800 0.014 0.000 1.222 223 F CA -3.220 54.778 58.000 -0.004 0.000 1.207 223 F CB 0.868 39.880 39.000 0.019 0.000 1.466 223 F HN -0.046 nan 8.300 nan 0.000 0.545 224 P HA -0.161 nan 4.420 nan 0.000 0.228 224 P C 0.763 178.091 177.300 0.048 0.000 1.151 224 P CA 1.303 64.402 63.100 -0.002 0.000 0.770 224 P CB 0.324 31.972 31.700 -0.088 0.000 0.786 225 K N -0.761 119.701 120.400 0.104 0.000 2.361 225 K HA 0.258 4.581 4.320 0.006 0.000 0.194 225 K C 1.171 177.851 176.600 0.133 0.000 1.032 225 K CA -0.157 56.185 56.287 0.091 0.000 1.048 225 K CB 0.248 32.780 32.500 0.054 0.000 0.842 225 K HN 0.048 nan 8.250 nan 0.000 0.526 226 A N 1.988 124.917 122.820 0.183 0.000 2.386 226 A HA 0.055 4.379 4.320 0.006 0.000 0.248 226 A C 0.013 177.719 177.584 0.203 0.000 1.082 226 A CA -0.163 51.962 52.037 0.147 0.000 0.789 226 A CB 0.241 19.322 19.000 0.135 0.000 1.025 226 A HN 0.154 nan 8.150 nan 0.000 0.490 227 E N -0.212 120.048 120.200 0.100 0.000 2.392 227 E HA 0.100 4.454 4.350 0.006 0.000 0.256 227 E C 0.253 176.784 176.600 -0.114 0.000 1.145 227 E CA -0.132 56.310 56.400 0.071 0.000 0.929 227 E CB 0.378 30.103 29.700 0.042 0.000 0.998 227 E HN 0.649 nan 8.360 nan 0.000 0.442 228 F N 1.835 121.524 119.950 -0.435 0.000 2.234 228 F HA -0.102 4.429 4.527 0.006 0.000 0.299 228 F C 1.850 177.471 175.800 -0.298 0.000 1.087 228 F CA 1.616 59.183 58.000 -0.722 0.000 1.340 228 F CB -0.116 38.488 39.000 -0.660 0.000 1.031 228 F HN 0.510 nan 8.300 nan 0.000 0.500 229 A N -0.418 122.273 122.820 -0.216 0.000 1.969 229 A HA -0.152 4.172 4.320 0.006 0.000 0.218 229 A C 2.046 179.504 177.584 -0.211 0.000 1.169 229 A CA 1.662 53.578 52.037 -0.202 0.000 0.635 229 A CB -0.702 18.279 19.000 -0.030 0.000 0.810 229 A HN 0.439 nan 8.150 nan 0.000 0.445 230 E N -0.257 119.852 120.200 -0.152 0.000 2.046 230 E HA -0.079 4.274 4.350 0.006 0.000 0.190 230 E C 1.853 178.388 176.600 -0.109 0.000 0.982 230 E CA 1.299 57.657 56.400 -0.071 0.000 0.800 230 E CB -0.313 29.377 29.700 -0.016 0.000 0.756 230 E HN 0.203 nan 8.360 nan 0.000 0.449 231 V N 0.346 120.149 119.914 -0.184 0.000 2.469 231 V HA -0.257 3.866 4.120 0.006 0.000 0.251 231 V C 2.232 178.173 176.094 -0.255 0.000 1.064 231 V CA 1.933 64.141 62.300 -0.154 0.000 1.066 231 V CB -0.478 31.255 31.823 -0.151 0.000 0.667 231 V HN 0.231 nan 8.190 nan 0.000 0.461 232 S N -0.757 114.665 115.700 -0.463 0.000 2.357 232 S HA -0.159 4.315 4.470 0.006 0.000 0.221 232 S C 2.124 176.610 174.600 -0.189 0.000 1.031 232 S CA 1.141 59.110 58.200 -0.385 0.000 0.982 232 S CB -0.304 62.586 63.200 -0.516 0.000 0.853 232 S HN 0.449 nan 8.310 nan 0.000 0.458 233 K N 1.684 121.984 120.400 -0.167 0.000 2.044 233 K HA -0.094 4.229 4.320 0.006 0.000 0.210 233 K C 1.955 178.481 176.600 -0.123 0.000 1.049 233 K CA 1.435 57.644 56.287 -0.131 0.000 0.927 233 K CB -0.755 31.679 32.500 -0.110 0.000 0.713 233 K HN 0.362 nan 8.250 nan 0.000 0.443 234 L N 0.458 121.634 121.223 -0.078 0.000 2.046 234 L HA -0.162 4.181 4.340 0.006 0.000 0.208 234 L C 2.530 179.409 176.870 0.015 0.000 1.077 234 L CA 0.784 55.614 54.840 -0.016 0.000 0.747 234 L CB -0.396 41.706 42.059 0.073 0.000 0.896 234 L HN -0.070 nan 8.230 nan 0.000 0.432 235 V N -0.584 119.326 119.914 -0.006 0.000 2.427 235 V HA -0.243 3.880 4.120 0.006 0.000 0.248 235 V C 2.530 178.667 176.094 0.071 0.000 1.051 235 V CA 2.150 64.470 62.300 0.034 0.000 1.048 235 V CB -0.715 31.107 31.823 -0.002 0.000 0.666 235 V HN 0.487 nan 8.190 nan 0.000 0.456 236 T N 0.008 114.574 114.554 0.020 0.000 2.643 236 T HA -0.199 4.155 4.350 0.006 0.000 0.264 236 T C 1.652 176.376 174.700 0.040 0.000 1.045 236 T CA 1.812 63.929 62.100 0.029 0.000 1.155 236 T CB -0.415 68.444 68.868 -0.015 0.000 0.863 236 T HN 0.475 nan 8.240 nan 0.000 0.420 237 D N 0.981 121.380 120.400 -0.002 0.000 2.144 237 D HA -0.036 4.608 4.640 0.006 0.000 0.199 237 D C 2.018 178.360 176.300 0.069 0.000 0.984 237 D CA 0.489 54.488 54.000 -0.002 0.000 0.834 237 D CB -0.497 40.258 40.800 -0.076 0.000 0.955 237 D HN 0.162 nan 8.370 nan 0.000 0.465 238 L N 0.750 122.050 121.223 0.129 0.000 2.093 238 L HA -0.096 4.248 4.340 0.006 0.000 0.208 238 L C 2.116 179.206 176.870 0.367 0.000 1.085 238 L CA 1.609 56.600 54.840 0.251 0.000 0.755 238 L CB -0.785 41.442 42.059 0.279 0.000 0.904 238 L HN -0.081 nan 8.230 nan 0.000 0.435 239 T N -0.522 114.228 114.554 0.328 0.000 2.821 239 T HA -0.211 4.143 4.350 0.006 0.000 0.267 239 T C 1.843 176.596 174.700 0.089 0.000 1.046 239 T CA 1.672 63.946 62.100 0.291 0.000 1.139 239 T CB -0.112 68.922 68.868 0.276 0.000 0.871 239 T HN 0.396 nan 8.240 nan 0.000 0.454 240 K N 0.927 121.372 120.400 0.075 0.000 2.025 240 K HA -0.063 4.260 4.320 0.006 0.000 0.207 240 K C 2.173 178.781 176.600 0.014 0.000 1.049 240 K CA 1.029 57.331 56.287 0.026 0.000 0.933 240 K CB -0.377 32.134 32.500 0.020 0.000 0.714 240 K HN 0.106 nan 8.250 nan 0.000 0.438 241 V N 1.832 121.761 119.914 0.025 0.000 2.231 241 V HA -0.310 3.813 4.120 0.006 0.000 0.248 241 V C 2.467 178.492 176.094 -0.115 0.000 1.054 241 V CA 2.158 64.431 62.300 -0.045 0.000 1.015 241 V CB -0.791 30.992 31.823 -0.066 0.000 0.638 241 V HN 0.483 nan 8.190 nan 0.000 0.444 242 H N -0.312 118.728 119.070 -0.050 0.000 2.353 242 H HA -0.132 4.428 4.556 0.007 0.000 0.300 242 H C 2.513 177.745 175.328 -0.160 0.000 1.090 242 H CA 2.012 57.989 56.048 -0.118 0.000 1.327 242 H CB -0.405 29.249 29.762 -0.181 0.000 1.383 242 H HN 0.421 nan 8.280 nan 0.000 0.508 243 T N 0.985 115.496 114.554 -0.071 0.000 2.635 243 T HA -0.165 4.188 4.350 0.006 0.000 0.267 243 T C 1.901 176.588 174.700 -0.023 0.000 1.040 243 T CA 1.614 63.659 62.100 -0.091 0.000 1.156 243 T CB -0.126 68.690 68.868 -0.087 0.000 0.863 243 T HN 0.498 nan 8.240 nan 0.000 0.430 244 E N 0.025 120.226 120.200 0.002 0.000 2.017 244 E HA -0.130 4.223 4.350 0.006 0.000 0.193 244 E C 2.585 179.228 176.600 0.071 0.000 0.997 244 E CA 1.387 57.825 56.400 0.063 0.000 0.804 244 E CB -0.357 29.374 29.700 0.050 0.000 0.757 244 E HN 0.456 nan 8.360 nan 0.000 0.448 245 c N 0.625 119.221 118.600 -0.007 0.000 2.403 245 c HA -0.172 4.401 4.570 0.006 0.000 0.282 245 c C 2.879 176.991 174.090 0.038 0.000 1.297 245 c CA 0.247 56.565 56.329 -0.018 0.000 1.785 245 c CB -1.000 41.401 42.510 -0.181 0.000 1.963 245 c HN 0.595 nan 8.230 nan 0.000 0.507 246 c N -1.463 117.152 118.600 0.025 0.000 2.467 246 c HA -0.085 4.489 4.570 0.006 0.000 0.279 246 c C 2.541 176.670 174.090 0.065 0.000 1.347 246 c CA 0.722 57.061 56.329 0.016 0.000 1.748 246 c CB -1.768 40.720 42.510 -0.037 0.000 1.977 246 c HN 0.713 nan 8.230 nan 0.000 0.501 247 H N 0.237 119.299 119.070 -0.014 0.000 2.518 247 H HA 0.003 4.563 4.556 0.006 0.000 0.289 247 H C 1.897 177.273 175.328 0.079 0.000 1.051 247 H CA 0.941 56.993 56.048 0.007 0.000 1.280 247 H CB -0.069 29.703 29.762 0.017 0.000 1.380 247 H HN 0.555 nan 8.280 nan 0.000 0.566 248 G N 0.825 109.701 108.800 0.127 0.000 2.194 248 G HA2 -0.253 3.710 3.960 0.006 0.000 0.236 248 G HA3 -0.253 3.710 3.960 0.006 0.000 0.236 248 G C 0.031 174.988 174.900 0.095 0.000 0.987 248 G CA 0.240 45.443 45.100 0.172 0.000 0.635 248 G HN 0.543 nan 8.290 nan 0.000 0.520 249 D N 1.175 121.603 120.400 0.046 0.000 2.359 249 D HA 0.285 4.928 4.640 0.006 0.000 0.250 249 D C 1.754 178.135 176.300 0.134 0.000 1.264 249 D CA -0.220 53.841 54.000 0.102 0.000 0.911 249 D CB 0.812 41.678 40.800 0.111 0.000 1.056 249 D HN 0.168 nan 8.370 nan 0.000 0.499 250 L N 5.682 126.972 121.223 0.111 0.000 1.990 250 L HA -0.218 4.126 4.340 0.006 0.000 0.213 250 L C 2.030 178.937 176.870 0.062 0.000 1.072 250 L CA 1.741 56.635 54.840 0.091 0.000 0.755 250 L CB -0.487 41.558 42.059 -0.023 0.000 0.889 250 L HN 0.527 nan 8.230 nan 0.000 0.432 251 L N -0.699 120.511 121.223 -0.021 0.000 2.012 251 L HA -0.206 4.137 4.340 0.006 0.000 0.210 251 L C 2.739 179.630 176.870 0.035 0.000 1.073 251 L CA 1.456 56.249 54.840 -0.077 0.000 0.748 251 L CB -0.955 40.906 42.059 -0.331 0.000 0.891 251 L HN 0.336 nan 8.230 nan 0.000 0.431 252 E N -0.332 119.940 120.200 0.120 0.000 2.038 252 E HA -0.274 4.080 4.350 0.006 0.000 0.195 252 E C 2.263 178.923 176.600 0.099 0.000 1.000 252 E CA 1.622 58.102 56.400 0.134 0.000 0.803 252 E CB -0.901 28.898 29.700 0.165 0.000 0.750 252 E HN 0.557 nan 8.360 nan 0.000 0.448 253 c N 1.309 119.973 118.600 0.106 0.000 2.359 253 c HA -0.213 4.361 4.570 0.006 0.000 0.277 253 c C 2.965 177.114 174.090 0.099 0.000 1.192 253 c CA 2.069 58.444 56.329 0.077 0.000 1.759 253 c CB -1.160 41.417 42.510 0.111 0.000 2.038 253 c HN 0.513 nan 8.230 nan 0.000 0.448 254 A N 0.044 122.991 122.820 0.211 0.000 1.892 254 A HA -0.245 4.078 4.320 0.006 0.000 0.218 254 A C 1.853 179.514 177.584 0.130 0.000 1.188 254 A CA 2.602 54.781 52.037 0.236 0.000 0.631 254 A CB -1.013 18.088 19.000 0.168 0.000 0.822 254 A HN 0.710 nan 8.150 nan 0.000 0.447 255 D N -0.251 120.205 120.400 0.094 0.000 2.144 255 D HA -0.092 4.551 4.640 0.006 0.000 0.199 255 D C 1.400 177.743 176.300 0.072 0.000 0.984 255 D CA 1.318 55.367 54.000 0.082 0.000 0.834 255 D CB -0.306 40.540 40.800 0.077 0.000 0.955 255 D HN 0.391 nan 8.370 nan 0.000 0.465 256 D N -0.248 120.186 120.400 0.058 0.000 2.144 256 D HA -0.033 4.610 4.640 0.006 0.000 0.200 256 D C 2.077 178.394 176.300 0.027 0.000 0.978 256 D CA 0.544 54.566 54.000 0.036 0.000 0.833 256 D CB -0.000 40.811 40.800 0.018 0.000 0.961 256 D HN 0.192 nan 8.370 nan 0.000 0.470 257 R N 0.505 121.018 120.500 0.022 0.000 2.115 257 R HA 0.072 4.415 4.340 0.006 0.000 0.226 257 R C 2.179 178.517 176.300 0.063 0.000 1.100 257 R CA 0.969 57.080 56.100 0.018 0.000 0.980 257 R CB -0.146 30.151 30.300 -0.006 0.000 0.875 257 R HN 0.078 nan 8.270 nan 0.000 0.445 258 A N 1.791 124.660 122.820 0.081 0.000 1.858 258 A HA -0.195 4.129 4.320 0.006 0.000 0.216 258 A C 1.663 179.298 177.584 0.085 0.000 1.190 258 A CA 1.635 53.724 52.037 0.087 0.000 0.617 258 A CB -0.477 18.577 19.000 0.090 0.000 0.827 258 A HN 0.144 nan 8.150 nan 0.000 0.443 259 D N -0.364 120.085 120.400 0.081 0.000 2.133 259 D HA -0.182 4.461 4.640 0.006 0.000 0.192 259 D C 1.838 178.202 176.300 0.107 0.000 1.001 259 D CA 1.680 55.732 54.000 0.087 0.000 0.844 259 D CB -0.431 40.410 40.800 0.068 0.000 0.944 259 D HN 0.307 nan 8.370 nan 0.000 0.447 260 L N 0.966 122.241 121.223 0.086 0.000 2.083 260 L HA -0.090 4.253 4.340 0.006 0.000 0.209 260 L C 2.155 179.111 176.870 0.142 0.000 1.083 260 L CA 1.725 56.628 54.840 0.105 0.000 0.752 260 L CB -0.821 41.278 42.059 0.067 0.000 0.899 260 L HN -0.038 nan 8.230 nan 0.000 0.433 261 A N -0.115 122.769 122.820 0.107 0.000 1.969 261 A HA -0.214 4.109 4.320 0.006 0.000 0.218 261 A C 2.300 179.934 177.584 0.082 0.000 1.169 261 A CA 1.686 53.779 52.037 0.093 0.000 0.635 261 A CB -0.518 18.530 19.000 0.080 0.000 0.810 261 A HN 0.652 nan 8.150 nan 0.000 0.445 262 K N -1.856 118.599 120.400 0.093 0.000 2.076 262 K HA -0.150 4.174 4.320 0.006 0.000 0.204 262 K C 1.996 178.632 176.600 0.060 0.000 1.051 262 K CA 1.437 57.765 56.287 0.068 0.000 0.949 262 K CB -0.647 31.898 32.500 0.075 0.000 0.726 262 K HN 0.336 nan 8.250 nan 0.000 0.443 263 Y N 1.968 122.271 120.300 0.005 0.000 2.081 263 Y HA -0.226 4.327 4.550 0.006 0.000 0.280 263 Y C 1.900 177.783 175.900 -0.027 0.000 1.163 263 Y CA 1.947 60.043 58.100 -0.007 0.000 1.135 263 Y CB -0.200 38.259 38.460 -0.002 0.000 0.970 263 Y HN 0.008 nan 8.280 nan 0.000 0.498 264 I N -0.928 119.687 120.570 0.075 0.000 2.163 264 I HA -0.416 3.757 4.170 0.006 0.000 0.243 264 I C 2.544 178.571 176.117 -0.151 0.000 1.085 264 I CA 1.504 62.776 61.300 -0.046 0.000 1.347 264 I CB -0.701 37.321 38.000 0.036 0.000 1.044 264 I HN 0.364 nan 8.210 nan 0.000 0.408 265 c N 0.520 119.069 118.600 -0.086 0.000 2.425 265 c HA -0.136 4.438 4.570 0.006 0.000 0.277 265 c C 2.648 176.667 174.090 -0.118 0.000 1.280 265 c CA 0.807 57.086 56.329 -0.083 0.000 1.744 265 c CB -1.079 41.410 42.510 -0.035 0.000 1.989 265 c HN 0.492 nan 8.230 nan 0.000 0.491 266 E N 0.550 120.657 120.200 -0.154 0.000 2.106 266 E HA -0.119 4.235 4.350 0.006 0.000 0.192 266 E C 1.156 177.623 176.600 -0.220 0.000 0.984 266 E CA 0.924 57.223 56.400 -0.168 0.000 0.806 266 E CB -0.231 29.367 29.700 -0.170 0.000 0.750 266 E HN 0.741 nan 8.360 nan 0.000 0.458 267 N N 0.881 119.380 118.700 -0.335 0.000 2.276 267 N HA -0.021 4.722 4.740 0.006 0.000 0.212 267 N C 1.324 176.695 175.510 -0.233 0.000 1.127 267 N CA -0.252 52.611 53.050 -0.312 0.000 0.834 267 N CB 0.303 38.507 38.487 -0.471 0.000 1.014 267 N HN 0.150 nan 8.380 nan 0.000 0.491 268 Q N 1.779 121.462 119.800 -0.195 0.000 2.065 268 Q HA -0.271 4.072 4.340 0.006 0.000 0.213 268 Q C 0.833 176.748 176.000 -0.142 0.000 1.012 268 Q CA 1.920 57.624 55.803 -0.164 0.000 0.876 268 Q CB 0.039 28.709 28.738 -0.114 0.000 0.954 268 Q HN 0.336 nan 8.270 nan 0.000 0.413 269 D N -0.424 119.912 120.400 -0.107 0.000 2.265 269 D HA -0.103 4.540 4.640 0.006 0.000 0.208 269 D C 1.505 177.756 176.300 -0.081 0.000 0.977 269 D CA 1.192 55.144 54.000 -0.080 0.000 0.871 269 D CB -0.091 40.673 40.800 -0.061 0.000 0.925 269 D HN 0.182 nan 8.370 nan 0.000 0.485 270 S N -0.778 114.859 115.700 -0.105 0.000 2.605 270 S HA 0.153 4.626 4.470 0.006 0.000 0.217 270 S C 1.464 175.996 174.600 -0.113 0.000 0.958 270 S CA -0.243 57.903 58.200 -0.089 0.000 0.919 270 S CB 0.141 63.288 63.200 -0.090 0.000 0.780 270 S HN 0.155 nan 8.310 nan 0.000 0.507 271 I N -0.909 119.555 120.570 -0.177 0.000 3.746 271 I HA 0.316 4.490 4.170 0.006 0.000 0.262 271 I C 0.416 176.364 176.117 -0.283 0.000 1.153 271 I CA -0.091 61.027 61.300 -0.303 0.000 1.395 271 I CB 0.825 38.507 38.000 -0.532 0.000 1.589 271 I HN 0.254 nan 8.210 nan 0.000 0.441 272 S N -0.535 115.024 115.700 -0.235 0.000 2.552 272 S HA 0.259 4.732 4.470 0.006 0.000 0.272 272 S C 0.444 175.019 174.600 -0.042 0.000 1.150 272 S CA 0.044 58.207 58.200 -0.063 0.000 0.849 272 S CB 1.461 64.694 63.200 0.054 0.000 1.113 272 S HN 0.260 nan 8.310 nan 0.000 0.458 273 S N 2.533 118.235 115.700 0.004 0.000 2.406 273 S HA 0.069 4.543 4.470 0.006 0.000 0.224 273 S C 1.178 175.782 174.600 0.007 0.000 1.030 273 S CA 0.134 58.332 58.200 -0.004 0.000 0.958 273 S CB -0.388 62.813 63.200 0.002 0.000 0.811 273 S HN 0.689 nan 8.310 nan 0.000 0.489 274 K N 1.711 122.131 120.400 0.034 0.000 2.589 274 K HA 0.132 4.455 4.320 0.006 0.000 0.195 274 K C 1.256 177.879 176.600 0.039 0.000 1.040 274 K CA 0.371 56.682 56.287 0.041 0.000 0.950 274 K CB -0.675 31.863 32.500 0.064 0.000 0.781 274 K HN 0.505 nan 8.250 nan 0.000 0.486 275 L N 0.205 121.439 121.223 0.019 0.000 2.592 275 L HA -0.004 4.339 4.340 0.006 0.000 0.227 275 L C 2.644 179.513 176.870 -0.002 0.000 1.127 275 L CA 0.281 55.125 54.840 0.008 0.000 0.884 275 L CB -0.629 41.411 42.059 -0.032 0.000 1.065 275 L HN 0.099 nan 8.230 nan 0.000 0.457 276 K N 1.132 121.530 120.400 -0.003 0.000 1.991 276 K HA -0.264 4.059 4.320 0.006 0.000 0.212 276 K C 1.883 178.486 176.600 0.005 0.000 1.049 276 K CA 2.043 58.328 56.287 -0.004 0.000 0.932 276 K CB -0.947 31.551 32.500 -0.003 0.000 0.717 276 K HN 0.510 nan 8.250 nan 0.000 0.441 277 E N -0.187 120.020 120.200 0.011 0.000 2.035 277 E HA -0.250 4.104 4.350 0.006 0.000 0.204 277 E C 2.211 178.824 176.600 0.022 0.000 1.025 277 E CA 2.041 58.452 56.400 0.018 0.000 0.835 277 E CB -0.562 29.151 29.700 0.021 0.000 0.764 277 E HN 0.579 nan 8.360 nan 0.000 0.457 278 c N 0.533 119.147 118.600 0.024 0.000 2.385 278 c HA -0.221 4.353 4.570 0.006 0.000 0.275 278 c C 2.921 177.027 174.090 0.026 0.000 1.207 278 c CA 1.002 57.347 56.329 0.028 0.000 1.760 278 c CB -1.137 41.390 42.510 0.028 0.000 2.051 278 c HN 0.665 nan 8.230 nan 0.000 0.467 279 c N 0.275 118.884 118.600 0.014 0.000 2.491 279 c HA -0.023 4.550 4.570 0.006 0.000 0.277 279 c C 2.323 176.420 174.090 0.011 0.000 1.455 279 c CA 0.635 56.970 56.329 0.009 0.000 1.758 279 c CB -1.677 40.828 42.510 -0.008 0.000 1.745 279 c HN 0.647 nan 8.230 nan 0.000 0.558 280 E N 0.580 120.789 120.200 0.014 0.000 2.102 280 E HA 0.002 4.355 4.350 0.006 0.000 0.190 280 E C 0.672 177.284 176.600 0.021 0.000 0.971 280 E CA 0.253 56.661 56.400 0.014 0.000 0.821 280 E CB 0.135 29.843 29.700 0.013 0.000 0.777 280 E HN 0.617 nan 8.360 nan 0.000 0.460 281 K N 2.428 122.845 120.400 0.028 0.000 2.508 281 K HA -0.003 4.321 4.320 0.006 0.000 0.273 281 K C -2.236 174.385 176.600 0.035 0.000 0.964 281 K CA -0.774 55.535 56.287 0.036 0.000 0.948 281 K CB -0.305 32.225 32.500 0.051 0.000 0.917 281 K HN 0.050 nan 8.250 nan 0.000 0.512 282 P HA -0.078 nan 4.420 nan 0.000 0.269 282 P C 0.807 178.128 177.300 0.035 0.000 1.209 282 P CA -0.206 62.910 63.100 0.027 0.000 0.776 282 P CB 0.615 32.328 31.700 0.021 0.000 0.876 283 L N 3.600 124.839 121.223 0.027 0.000 2.095 283 L HA -0.255 4.088 4.340 0.006 0.000 0.229 283 L C 2.043 178.942 176.870 0.048 0.000 1.097 283 L CA 2.119 56.979 54.840 0.034 0.000 0.813 283 L CB -1.410 40.658 42.059 0.016 0.000 0.907 283 L HN 0.338 nan 8.230 nan 0.000 0.445 284 L N -0.994 120.252 121.223 0.038 0.000 2.549 284 L HA -0.094 4.249 4.340 0.006 0.000 0.229 284 L C 1.946 178.859 176.870 0.073 0.000 1.158 284 L CA 1.550 56.418 54.840 0.046 0.000 0.842 284 L CB -0.567 41.506 42.059 0.024 0.000 0.952 284 L HN 0.527 nan 8.230 nan 0.000 0.452 285 E N -2.453 117.796 120.200 0.081 0.000 2.500 285 E HA -0.008 4.345 4.350 0.006 0.000 0.217 285 E C 1.607 178.273 176.600 0.110 0.000 0.848 285 E CA -0.191 56.274 56.400 0.109 0.000 1.217 285 E CB 0.246 30.011 29.700 0.110 0.000 1.217 285 E HN 0.252 nan 8.360 nan 0.000 0.573 286 K N 1.595 122.045 120.400 0.083 0.000 2.032 286 K HA -0.272 4.052 4.320 0.006 0.000 0.218 286 K C 2.572 179.218 176.600 0.077 0.000 1.054 286 K CA 2.272 58.600 56.287 0.070 0.000 0.941 286 K CB -0.360 32.176 32.500 0.060 0.000 0.720 286 K HN 0.153 nan 8.250 nan 0.000 0.449 287 S N 0.611 116.368 115.700 0.095 0.000 2.359 287 S HA -0.276 4.197 4.470 0.006 0.000 0.223 287 S C 1.865 176.517 174.600 0.087 0.000 1.039 287 S CA 2.146 60.404 58.200 0.097 0.000 1.042 287 S CB -0.798 62.474 63.200 0.120 0.000 0.915 287 S HN 0.482 nan 8.310 nan 0.000 0.439 288 H N 0.162 119.236 119.070 0.007 0.000 2.319 288 H HA -0.129 4.430 4.556 0.006 0.000 0.299 288 H C 2.387 177.662 175.328 -0.089 0.000 1.092 288 H CA 1.966 57.969 56.048 -0.076 0.000 1.302 288 H CB -0.905 28.745 29.762 -0.186 0.000 1.373 288 H HN 0.601 nan 8.280 nan 0.000 0.497 289 c N 0.087 118.646 118.600 -0.068 0.000 2.388 289 c HA -0.164 4.409 4.570 0.006 0.000 0.277 289 c C 2.876 176.916 174.090 -0.083 0.000 1.210 289 c CA 1.348 57.624 56.329 -0.088 0.000 1.743 289 c CB -1.419 41.101 42.510 0.017 0.000 2.047 289 c HN 0.696 nan 8.230 nan 0.000 0.458 290 I N 1.462 122.024 120.570 -0.014 0.000 2.151 290 I HA -0.234 3.939 4.170 0.006 0.000 0.243 290 I C 2.810 178.939 176.117 0.019 0.000 1.080 290 I CA 1.960 63.281 61.300 0.036 0.000 1.339 290 I CB -0.786 37.259 38.000 0.075 0.000 1.039 290 I HN 0.451 nan 8.210 nan 0.000 0.409 291 A N -0.249 122.556 122.820 -0.025 0.000 2.125 291 A HA -0.219 4.105 4.320 0.006 0.000 0.219 291 A C 2.100 179.627 177.584 -0.095 0.000 1.156 291 A CA 1.782 53.800 52.037 -0.032 0.000 0.671 291 A CB -0.423 18.562 19.000 -0.026 0.000 0.794 291 A HN 0.431 nan 8.150 nan 0.000 0.459 292 E N -1.328 118.777 120.200 -0.159 0.000 2.431 292 E HA 0.174 4.527 4.350 0.006 0.000 0.200 292 E C 0.480 177.023 176.600 -0.095 0.000 0.995 292 E CA -0.123 56.176 56.400 -0.169 0.000 0.915 292 E CB 0.222 29.747 29.700 -0.292 0.000 0.930 292 E HN 0.196 nan 8.360 nan 0.000 0.496 293 V N 1.508 121.389 119.914 -0.054 0.000 2.872 293 V HA -0.128 3.995 4.120 0.006 0.000 0.302 293 V C 0.216 176.290 176.094 -0.032 0.000 1.166 293 V CA 0.577 62.870 62.300 -0.012 0.000 1.298 293 V CB 1.062 32.922 31.823 0.062 0.000 0.894 293 V HN 0.216 nan 8.190 nan 0.000 0.509 294 E N 5.369 125.559 120.200 -0.017 0.000 2.390 294 E HA 0.127 4.480 4.350 0.006 0.000 0.261 294 E C 0.096 176.674 176.600 -0.037 0.000 1.076 294 E CA -0.596 55.785 56.400 -0.032 0.000 0.905 294 E CB 0.799 30.491 29.700 -0.014 0.000 0.984 294 E HN 0.875 nan 8.360 nan 0.000 0.427 295 N N 3.315 121.972 118.700 -0.072 0.000 2.468 295 N HA 0.042 4.785 4.740 0.006 0.000 0.265 295 N C -0.240 175.252 175.510 -0.029 0.000 1.199 295 N CA 0.066 53.065 53.050 -0.086 0.000 0.928 295 N CB 0.472 38.889 38.487 -0.117 0.000 1.059 295 N HN 0.577 nan 8.380 nan 0.000 0.467 296 D N 1.225 121.635 120.400 0.018 0.000 2.368 296 D HA -0.032 4.611 4.640 0.006 0.000 0.240 296 D C -0.182 176.115 176.300 -0.005 0.000 1.169 296 D CA -0.027 53.996 54.000 0.038 0.000 0.906 296 D CB 0.823 41.684 40.800 0.102 0.000 1.187 296 D HN 0.305 nan 8.370 nan 0.000 0.435 297 E N 1.535 121.729 120.200 -0.010 0.000 2.392 297 E HA 0.075 4.429 4.350 0.006 0.000 0.264 297 E C 0.267 176.843 176.600 -0.040 0.000 1.024 297 E CA -0.010 56.371 56.400 -0.032 0.000 0.903 297 E CB 0.461 30.145 29.700 -0.026 0.000 0.963 297 E HN 0.439 nan 8.360 nan 0.000 0.432 298 M N 0.443 120.001 119.600 -0.070 0.000 2.274 298 M HA 0.448 4.932 4.480 0.006 0.000 0.344 298 M C -2.296 173.960 176.300 -0.074 0.000 1.161 298 M CA -1.985 53.263 55.300 -0.086 0.000 1.126 298 M CB -0.014 32.502 32.600 -0.140 0.000 1.522 298 M HN -0.069 nan 8.290 nan 0.000 0.461 299 P HA -0.019 nan 4.420 nan 0.000 0.263 299 P C 0.069 177.332 177.300 -0.062 0.000 1.175 299 P CA 0.339 63.408 63.100 -0.051 0.000 0.761 299 P CB 0.595 32.268 31.700 -0.044 0.000 0.794 300 A N 2.834 125.626 122.820 -0.047 0.000 1.858 300 A HA 0.005 4.329 4.320 0.006 0.000 0.216 300 A C 1.370 178.925 177.584 -0.049 0.000 1.190 300 A CA 1.943 53.951 52.037 -0.048 0.000 0.617 300 A CB -1.479 17.500 19.000 -0.034 0.000 0.827 300 A HN 0.607 nan 8.150 nan 0.000 0.443 301 D N -0.055 120.321 120.400 -0.040 0.000 2.499 301 D HA 0.591 5.235 4.640 0.006 0.000 0.225 301 D C -0.674 175.601 176.300 -0.041 0.000 1.124 301 D CA -0.317 53.661 54.000 -0.037 0.000 0.938 301 D CB -0.085 40.701 40.800 -0.024 0.000 1.014 301 D HN 0.315 nan 8.370 nan 0.000 0.517 302 L N 2.195 123.383 121.223 -0.058 0.000 2.305 302 L HA 0.458 4.802 4.340 0.006 0.000 0.284 302 L C -1.700 175.134 176.870 -0.060 0.000 1.013 302 L CA -1.538 53.262 54.840 -0.067 0.000 0.819 302 L CB 1.935 43.929 42.059 -0.109 0.000 1.227 302 L HN 0.386 nan 8.230 nan 0.000 0.417 303 P HA -0.033 nan 4.420 nan 0.000 0.275 303 P C -0.660 176.626 177.300 -0.023 0.000 1.262 303 P CA -0.207 62.881 63.100 -0.021 0.000 0.834 303 P CB 0.417 32.116 31.700 -0.002 0.000 1.098 304 S N -0.272 115.430 115.700 0.002 0.000 2.462 304 S HA 0.198 4.671 4.470 0.006 0.000 0.294 304 S C 1.218 175.866 174.600 0.081 0.000 1.144 304 S CA -0.758 57.455 58.200 0.021 0.000 1.088 304 S CB -0.042 63.170 63.200 0.020 0.000 1.009 304 S HN 0.260 nan 8.310 nan 0.000 0.484 305 L N 4.406 125.706 121.223 0.129 0.000 2.043 305 L HA -0.136 4.208 4.340 0.006 0.000 0.212 305 L C 2.787 179.874 176.870 0.360 0.000 1.075 305 L CA 2.475 57.501 54.840 0.310 0.000 0.752 305 L CB -2.133 40.115 42.059 0.315 0.000 0.891 305 L HN 0.900 nan 8.230 nan 0.000 0.432 306 A N -0.654 122.197 122.820 0.052 0.000 2.131 306 A HA -0.109 4.214 4.320 0.006 0.000 0.220 306 A C 2.481 180.044 177.584 -0.035 0.000 1.158 306 A CA 1.509 53.411 52.037 -0.224 0.000 0.665 306 A CB -0.456 18.325 19.000 -0.366 0.000 0.795 306 A HN 0.440 nan 8.150 nan 0.000 0.460 307 A N 0.576 123.413 122.820 0.027 0.000 1.828 307 A HA -0.175 4.148 4.320 0.006 0.000 0.215 307 A C 1.703 179.269 177.584 -0.030 0.000 1.203 307 A CA 1.679 53.718 52.037 0.004 0.000 0.614 307 A CB -0.560 18.445 19.000 0.008 0.000 0.844 307 A HN 0.478 nan 8.150 nan 0.000 0.445 308 D N -1.478 118.856 120.400 -0.109 0.000 2.323 308 D HA 0.047 4.690 4.640 0.006 0.000 0.209 308 D C 0.986 176.972 176.300 -0.524 0.000 0.973 308 D CA 0.789 54.570 54.000 -0.365 0.000 0.874 308 D CB -0.095 40.333 40.800 -0.620 0.000 0.930 308 D HN 0.532 nan 8.370 nan 0.000 0.521 309 F N -0.428 119.611 119.950 0.149 0.000 2.724 309 F HA 0.109 4.640 4.527 0.006 0.000 0.306 309 F C 1.934 177.822 175.800 0.147 0.000 1.100 309 F CA -0.030 58.105 58.000 0.225 0.000 1.255 309 F CB 0.582 39.733 39.000 0.250 0.000 1.072 309 F HN -0.208 nan 8.300 nan 0.000 0.589 310 V N -1.513 118.498 119.914 0.162 0.000 3.159 310 V HA 0.075 4.198 4.120 0.006 0.000 0.234 310 V C 1.550 177.780 176.094 0.228 0.000 1.313 310 V CA 0.463 62.860 62.300 0.161 0.000 1.271 310 V CB 0.325 32.069 31.823 -0.131 0.000 1.053 310 V HN 0.048 nan 8.190 nan 0.000 0.476 311 E N 0.520 120.775 120.200 0.092 0.000 2.250 311 E HA 0.080 4.433 4.350 0.006 0.000 0.192 311 E C 1.185 177.837 176.600 0.087 0.000 0.986 311 E CA 0.405 56.848 56.400 0.072 0.000 0.849 311 E CB 0.291 29.999 29.700 0.013 0.000 0.797 311 E HN 0.392 nan 8.360 nan 0.000 0.482 312 S N 0.108 115.854 115.700 0.076 0.000 2.563 312 S HA 0.068 4.541 4.470 0.006 0.000 0.284 312 S C 1.096 175.760 174.600 0.106 0.000 1.331 312 S CA 0.690 58.925 58.200 0.058 0.000 1.047 312 S CB 1.036 64.248 63.200 0.018 0.000 0.859 312 S HN 0.262 nan 8.310 nan 0.000 0.514 313 K N 1.989 122.430 120.400 0.069 0.000 2.361 313 K HA 0.115 4.439 4.320 0.006 0.000 0.196 313 K C 0.754 177.393 176.600 0.065 0.000 1.039 313 K CA 1.023 57.354 56.287 0.074 0.000 1.001 313 K CB -0.237 nan 32.500 nan 0.000 0.795 313 K HN 0.799 nan 8.250 nan 0.000 0.495 314 D N 0.609 121.031 120.400 0.036 0.000 2.460 314 D HA 0.120 4.764 4.640 0.006 0.000 0.229 314 D C 1.173 177.445 176.300 -0.047 0.000 1.170 314 D CA -0.020 53.981 54.000 0.001 0.000 0.827 314 D CB 0.722 41.516 40.800 -0.010 0.000 0.973 314 D HN 0.107 nan 8.370 nan 0.000 0.496 315 V N 0.149 120.051 119.914 -0.019 0.000 2.223 315 V HA -0.287 3.836 4.120 0.006 0.000 0.244 315 V C 2.550 178.481 176.094 -0.272 0.000 1.045 315 V CA 1.484 63.703 62.300 -0.136 0.000 1.000 315 V CB -0.422 31.308 31.823 -0.154 0.000 0.635 315 V HN 0.383 nan 8.190 nan 0.000 0.445 316 c N -0.175 118.367 118.600 -0.097 0.000 2.422 316 c HA -0.150 4.424 4.570 0.006 0.000 0.279 316 c C 2.759 176.810 174.090 -0.065 0.000 1.305 316 c CA 1.296 57.608 56.329 -0.029 0.000 1.757 316 c CB -1.070 41.479 42.510 0.066 0.000 1.962 316 c HN 0.620 nan 8.230 nan 0.000 0.499 317 K N 1.234 121.587 120.400 -0.079 0.000 2.057 317 K HA -0.133 4.190 4.320 0.006 0.000 0.206 317 K C 1.566 178.084 176.600 -0.135 0.000 1.050 317 K CA 1.662 57.901 56.287 -0.080 0.000 0.935 317 K CB -0.355 32.115 32.500 -0.049 0.000 0.715 317 K HN 0.616 nan 8.250 nan 0.000 0.439 318 N N -0.804 117.760 118.700 -0.228 0.000 2.354 318 N HA -0.144 4.599 4.740 0.006 0.000 0.179 318 N C 1.562 176.813 175.510 -0.430 0.000 1.021 318 N CA 0.528 53.406 53.050 -0.286 0.000 0.887 318 N CB -0.049 38.260 38.487 -0.297 0.000 0.974 318 N HN 0.208 nan 8.380 nan 0.000 0.437 319 Y N 1.456 121.293 120.300 -0.771 0.000 2.337 319 Y HA 0.155 4.710 4.550 0.007 0.000 0.293 319 Y C 2.140 177.910 175.900 -0.218 0.000 1.123 319 Y CA 0.681 58.418 58.100 -0.605 0.000 1.201 319 Y CB -0.264 37.840 38.460 -0.594 0.000 1.011 319 Y HN -0.028 nan 8.280 nan 0.000 0.545 320 A N -0.177 122.458 122.820 -0.308 0.000 2.016 320 A HA -0.061 4.262 4.320 0.006 0.000 0.217 320 A C 2.061 179.524 177.584 -0.202 0.000 1.162 320 A CA 1.219 53.069 52.037 -0.311 0.000 0.662 320 A CB -0.658 18.240 19.000 -0.170 0.000 0.812 320 A HN 0.517 nan 8.150 nan 0.000 0.450 321 E N 0.186 120.301 120.200 -0.142 0.000 2.070 321 E HA -0.034 4.319 4.350 0.006 0.000 0.197 321 E C 0.519 177.089 176.600 -0.051 0.000 1.004 321 E CA 1.577 57.933 56.400 -0.074 0.000 0.805 321 E CB -0.138 29.535 29.700 -0.045 0.000 0.744 321 E HN 0.543 nan 8.360 nan 0.000 0.451 322 A N -0.539 122.256 122.820 -0.042 0.000 2.771 322 A HA 0.246 4.569 4.320 0.006 0.000 0.301 322 A C 0.199 177.812 177.584 0.048 0.000 1.194 322 A CA -0.542 51.503 52.037 0.013 0.000 0.837 322 A CB 0.577 19.625 19.000 0.080 0.000 1.438 322 A HN 0.095 nan 8.150 nan 0.000 0.436 323 K N 0.469 120.820 120.400 -0.081 0.000 2.015 323 K HA -0.204 4.120 4.320 0.006 0.000 0.216 323 K C 0.744 177.496 176.600 0.252 0.000 1.052 323 K CA 2.137 58.387 56.287 -0.062 0.000 0.937 323 K CB 0.014 32.346 32.500 -0.281 0.000 0.719 323 K HN 0.653 nan 8.250 nan 0.000 0.446 324 D N 0.434 120.943 120.400 0.181 0.000 2.178 324 D HA -0.099 4.545 4.640 0.006 0.000 0.202 324 D C 2.031 178.490 176.300 0.265 0.000 0.974 324 D CA 0.746 54.878 54.000 0.219 0.000 0.841 324 D CB -0.221 40.675 40.800 0.161 0.000 0.953 324 D HN -0.042 nan 8.370 nan 0.000 0.478 325 V N 0.955 121.024 119.914 0.259 0.000 2.261 325 V HA -0.249 3.875 4.120 0.006 0.000 0.246 325 V C 2.187 178.453 176.094 0.286 0.000 1.047 325 V CA 1.324 63.798 62.300 0.290 0.000 1.015 325 V CB -0.624 31.352 31.823 0.254 0.000 0.642 325 V HN 0.062 nan 8.190 nan 0.000 0.446 326 F N 0.434 120.503 119.950 0.198 0.000 2.065 326 F HA -0.215 4.314 4.527 0.004 0.000 0.298 326 F C 2.142 178.145 175.800 0.339 0.000 1.112 326 F CA 1.756 59.915 58.000 0.265 0.000 1.212 326 F CB -0.431 38.780 39.000 0.352 0.000 0.975 326 F HN -0.001 nan 8.300 nan 0.000 0.476 327 L N -0.541 120.925 121.223 0.406 0.000 2.079 327 L HA -0.176 4.168 4.340 0.006 0.000 0.210 327 L C 2.745 179.766 176.870 0.251 0.000 1.081 327 L CA 1.302 56.326 54.840 0.307 0.000 0.752 327 L CB -1.595 40.646 42.059 0.304 0.000 0.896 327 L HN 0.347 nan 8.230 nan 0.000 0.433 328 G N -0.572 108.375 108.800 0.246 0.000 2.421 328 G HA2 -0.281 3.682 3.960 0.006 0.000 0.216 328 G HA3 -0.281 3.682 3.960 0.006 0.000 0.216 328 G C 1.650 176.665 174.900 0.191 0.000 1.171 328 G CA 0.583 45.858 45.100 0.291 0.000 0.775 328 G HN 0.157 nan 8.290 nan 0.000 0.543 329 M N -0.651 118.865 119.600 -0.140 0.000 2.080 329 M HA -0.017 4.467 4.480 0.006 0.000 0.260 329 M C 2.279 178.535 176.300 -0.073 0.000 1.068 329 M CA 1.463 56.507 55.300 -0.426 0.000 1.109 329 M CB -0.277 32.065 32.600 -0.430 0.000 1.342 329 M HN 0.296 nan 8.290 nan 0.000 0.405 330 F N 0.768 120.546 119.950 -0.287 0.000 2.065 330 F HA -0.280 4.250 4.527 0.005 0.000 0.298 330 F C 1.896 177.478 175.800 -0.363 0.000 1.112 330 F CA 1.772 59.363 58.000 -0.681 0.000 1.212 330 F CB -0.501 38.143 39.000 -0.594 0.000 0.975 330 F HN 0.016 nan 8.300 nan 0.000 0.476 331 L N -0.934 120.215 121.223 -0.123 0.000 2.012 331 L HA -0.274 4.069 4.340 0.006 0.000 0.210 331 L C 2.498 179.306 176.870 -0.102 0.000 1.073 331 L CA 1.859 56.617 54.840 -0.137 0.000 0.748 331 L CB -0.845 41.239 42.059 0.042 0.000 0.891 331 L HN 0.383 nan 8.230 nan 0.000 0.431 332 Y N 0.798 121.054 120.300 -0.072 0.000 2.097 332 Y HA -0.296 4.258 4.550 0.005 0.000 0.282 332 Y C 2.540 178.378 175.900 -0.103 0.000 1.152 332 Y CA 1.842 59.946 58.100 0.006 0.000 1.136 332 Y CB -0.195 38.419 38.460 0.256 0.000 0.975 332 Y HN 0.156 nan 8.280 nan 0.000 0.498 333 E N -0.731 119.269 120.200 -0.333 0.000 2.110 333 E HA -0.232 4.122 4.350 0.006 0.000 0.193 333 E C 2.088 178.378 176.600 -0.517 0.000 0.988 333 E CA 1.437 57.552 56.400 -0.475 0.000 0.804 333 E CB -0.832 28.719 29.700 -0.248 0.000 0.745 333 E HN 0.615 nan 8.360 nan 0.000 0.458 334 Y N 1.035 120.934 120.300 -0.669 0.000 2.220 334 Y HA -0.082 4.473 4.550 0.008 0.000 0.291 334 Y C 2.341 177.993 175.900 -0.413 0.000 1.129 334 Y CA 1.189 58.912 58.100 -0.629 0.000 1.161 334 Y CB -0.430 37.451 38.460 -0.965 0.000 0.997 334 Y HN 0.012 nan 8.280 nan 0.000 0.522 335 A N 0.845 123.567 122.820 -0.163 0.000 1.930 335 A HA -0.198 4.125 4.320 0.006 0.000 0.217 335 A C 2.146 179.593 177.584 -0.228 0.000 1.175 335 A CA 1.751 53.695 52.037 -0.156 0.000 0.627 335 A CB -0.713 18.187 19.000 -0.166 0.000 0.815 335 A HN 0.589 nan 8.150 nan 0.000 0.443 336 R N -0.924 119.383 120.500 -0.323 0.000 2.339 336 R HA 0.106 4.450 4.340 0.006 0.000 0.199 336 R C 1.206 177.295 176.300 -0.351 0.000 1.018 336 R CA 0.925 56.826 56.100 -0.332 0.000 1.036 336 R CB -0.207 29.843 30.300 -0.417 0.000 0.899 336 R HN 0.391 nan 8.270 nan 0.000 0.473 337 R N -0.242 120.007 120.500 -0.418 0.000 2.437 337 R HA 0.191 4.534 4.340 0.006 0.000 0.257 337 R C -0.320 175.464 176.300 -0.860 0.000 0.927 337 R CA -0.063 55.697 56.100 -0.567 0.000 1.078 337 R CB 0.631 30.567 30.300 -0.608 0.000 1.161 337 R HN 0.280 nan 8.270 nan 0.000 0.529 338 H N -0.440 118.387 119.070 -0.404 0.000 2.538 338 H HA 0.185 4.746 4.556 0.009 0.000 0.239 338 H C -2.279 172.839 175.328 -0.350 0.000 1.401 338 H CA -1.796 53.944 56.048 -0.513 0.000 1.499 338 H CB 1.708 30.916 29.762 -0.923 0.000 1.624 338 H HN -0.075 nan 8.280 nan 0.000 0.524 339 P HA -0.090 nan 4.420 nan 0.000 0.225 339 P C 1.304 178.552 177.300 -0.088 0.000 1.156 339 P CA 0.807 63.820 63.100 -0.146 0.000 0.787 339 P CB 0.408 32.018 31.700 -0.149 0.000 0.802 340 D N -2.466 117.897 120.400 -0.062 0.000 2.363 340 D HA -0.119 4.524 4.640 0.006 0.000 0.220 340 D C 0.223 176.639 176.300 0.192 0.000 0.994 340 D CA 0.507 54.526 54.000 0.032 0.000 0.890 340 D CB -0.526 40.305 40.800 0.051 0.000 0.906 340 D HN 0.119 nan 8.370 nan 0.000 0.530 341 Y N 1.759 122.030 120.300 -0.049 0.000 2.354 341 Y HA 0.311 4.867 4.550 0.010 0.000 0.322 341 Y C 1.128 176.949 175.900 -0.132 0.000 1.253 341 Y CA -2.443 55.594 58.100 -0.104 0.000 1.272 341 Y CB 1.315 39.692 38.460 -0.139 0.000 1.255 341 Y HN -0.131 nan 8.280 nan 0.000 0.500 342 S N -0.163 115.536 115.700 -0.001 0.000 2.584 342 S HA 0.278 4.751 4.470 0.006 0.000 0.273 342 S C 0.919 175.457 174.600 -0.104 0.000 1.311 342 S CA -0.767 57.393 58.200 -0.067 0.000 1.034 342 S CB 1.227 64.381 63.200 -0.077 0.000 0.939 342 S HN 0.402 nan 8.310 nan 0.000 0.513 343 V N 2.677 122.498 119.914 -0.155 0.000 2.332 343 V HA -0.165 3.958 4.120 0.006 0.000 0.248 343 V C 2.508 178.501 176.094 -0.168 0.000 1.055 343 V CA 1.985 64.130 62.300 -0.260 0.000 1.038 343 V CB -0.875 30.638 31.823 -0.517 0.000 0.651 343 V HN 0.842 nan 8.190 nan 0.000 0.450 344 V N -0.087 119.785 119.914 -0.068 0.000 2.469 344 V HA -0.225 3.899 4.120 0.006 0.000 0.251 344 V C 2.290 178.309 176.094 -0.124 0.000 1.064 344 V CA 2.452 64.722 62.300 -0.050 0.000 1.066 344 V CB -0.153 31.661 31.823 -0.014 0.000 0.667 344 V HN 0.545 nan 8.190 nan 0.000 0.461 345 L N -0.116 121.007 121.223 -0.167 0.000 2.027 345 L HA -0.072 4.272 4.340 0.006 0.000 0.206 345 L C 2.202 178.891 176.870 -0.303 0.000 1.074 345 L CA 2.126 56.812 54.840 -0.257 0.000 0.745 345 L CB -0.670 41.173 42.059 -0.360 0.000 0.898 345 L HN 0.326 nan 8.230 nan 0.000 0.433 346 L N -1.078 119.992 121.223 -0.254 0.000 2.079 346 L HA -0.244 4.099 4.340 0.006 0.000 0.210 346 L C 2.537 179.239 176.870 -0.281 0.000 1.081 346 L CA 1.236 55.895 54.840 -0.302 0.000 0.752 346 L CB -0.561 41.368 42.059 -0.217 0.000 0.896 346 L HN 0.337 nan 8.230 nan 0.000 0.433 347 L N -0.840 120.267 121.223 -0.193 0.000 2.056 347 L HA -0.187 4.156 4.340 0.006 0.000 0.207 347 L C 2.813 179.604 176.870 -0.132 0.000 1.078 347 L CA 1.171 55.935 54.840 -0.127 0.000 0.749 347 L CB -0.470 41.543 42.059 -0.076 0.000 0.901 347 L HN 0.215 nan 8.230 nan 0.000 0.433 348 R N 0.070 120.471 120.500 -0.165 0.000 2.091 348 R HA -0.150 4.193 4.340 0.006 0.000 0.238 348 R C 2.289 178.476 176.300 -0.188 0.000 1.136 348 R CA 1.249 57.259 56.100 -0.151 0.000 0.959 348 R CB -0.376 29.827 30.300 -0.161 0.000 0.856 348 R HN 0.324 nan 8.270 nan 0.000 0.437 349 L N -0.145 120.866 121.223 -0.353 0.000 2.056 349 L HA -0.123 4.220 4.340 0.006 0.000 0.207 349 L C 2.670 179.366 176.870 -0.289 0.000 1.078 349 L CA 1.190 55.680 54.840 -0.584 0.000 0.749 349 L CB -0.617 40.729 42.059 -1.189 0.000 0.901 349 L HN 0.248 nan 8.230 nan 0.000 0.433 350 A N 0.254 122.996 122.820 -0.130 0.000 1.930 350 A HA -0.226 4.098 4.320 0.006 0.000 0.217 350 A C 2.315 179.919 177.584 0.034 0.000 1.175 350 A CA 1.843 53.922 52.037 0.069 0.000 0.627 350 A CB -0.345 18.722 19.000 0.111 0.000 0.815 350 A HN 0.226 nan 8.150 nan 0.000 0.443 351 K N -0.217 120.182 120.400 -0.002 0.000 2.026 351 K HA -0.077 4.246 4.320 0.006 0.000 0.208 351 K C 1.937 178.552 176.600 0.025 0.000 1.048 351 K CA 2.340 58.633 56.287 0.009 0.000 0.929 351 K CB -1.083 31.412 32.500 -0.009 0.000 0.713 351 K HN 0.345 nan 8.250 nan 0.000 0.439 352 T N 0.013 114.597 114.554 0.048 0.000 2.720 352 T HA -0.161 4.192 4.350 0.006 0.000 0.268 352 T C 1.368 176.171 174.700 0.171 0.000 1.037 352 T CA 1.586 63.760 62.100 0.122 0.000 1.144 352 T CB -0.541 68.453 68.868 0.209 0.000 0.864 352 T HN 0.321 nan 8.240 nan 0.000 0.444 353 Y N 1.757 122.075 120.300 0.030 0.000 2.352 353 Y HA -0.035 4.516 4.550 0.002 0.000 0.292 353 Y C 2.387 178.171 175.900 -0.193 0.000 1.136 353 Y CA 1.263 59.298 58.100 -0.109 0.000 1.227 353 Y CB -0.224 37.934 38.460 -0.503 0.000 0.991 353 Y HN 0.325 nan 8.280 nan 0.000 0.545 354 E N -1.045 119.054 120.200 -0.168 0.000 2.046 354 E HA -0.157 4.196 4.350 0.006 0.000 0.190 354 E C 1.835 178.353 176.600 -0.137 0.000 0.982 354 E CA 1.697 57.980 56.400 -0.195 0.000 0.800 354 E CB -0.150 29.538 29.700 -0.019 0.000 0.756 354 E HN 0.391 nan 8.360 nan 0.000 0.449 355 T N 0.272 114.792 114.554 -0.057 0.000 2.833 355 T HA -0.117 4.237 4.350 0.006 0.000 0.269 355 T C 1.769 176.441 174.700 -0.046 0.000 1.054 355 T CA 1.614 63.699 62.100 -0.024 0.000 1.135 355 T CB -0.322 68.549 68.868 0.005 0.000 0.869 355 T HN 0.230 nan 8.240 nan 0.000 0.466 356 T N 2.355 116.859 114.554 -0.084 0.000 2.668 356 T HA 0.093 4.446 4.350 0.006 0.000 0.262 356 T C 1.976 176.598 174.700 -0.130 0.000 1.045 356 T CA 0.743 62.798 62.100 -0.074 0.000 1.152 356 T CB -0.466 68.376 68.868 -0.043 0.000 0.864 356 T HN 0.231 nan 8.240 nan 0.000 0.419 357 L N 1.100 122.115 121.223 -0.347 0.000 2.129 357 L HA -0.144 4.199 4.340 0.006 0.000 0.212 357 L C 2.789 179.590 176.870 -0.116 0.000 1.087 357 L CA 1.280 55.876 54.840 -0.407 0.000 0.757 357 L CB -0.600 40.846 42.059 -1.023 0.000 0.896 357 L HN 0.297 nan 8.230 nan 0.000 0.434 358 E N 0.529 120.704 120.200 -0.042 0.000 2.107 358 E HA -0.128 4.226 4.350 0.006 0.000 0.191 358 E C 1.814 178.441 176.600 0.044 0.000 0.982 358 E CA 1.368 57.811 56.400 0.072 0.000 0.809 358 E CB 0.005 29.745 29.700 0.068 0.000 0.756 358 E HN 0.444 nan 8.360 nan 0.000 0.459 359 K N 0.060 120.471 120.400 0.019 0.000 2.969 359 K HA 0.299 4.623 4.320 0.006 0.000 0.222 359 K C 0.939 177.558 176.600 0.032 0.000 1.172 359 K CA 0.059 56.360 56.287 0.024 0.000 1.192 359 K CB -0.879 31.631 32.500 0.016 0.000 1.111 359 K HN 0.118 nan 8.250 nan 0.000 0.457 360 c N -2.662 115.968 118.600 0.050 0.000 4.811 360 c HA 0.079 4.653 4.570 0.006 0.000 0.521 360 c C 2.067 176.219 174.090 0.103 0.000 1.226 360 c CA 0.251 56.629 56.329 0.082 0.000 2.495 360 c CB -0.036 42.565 42.510 0.153 0.000 3.413 360 c HN 0.747 nan 8.230 nan 0.000 0.465 361 c N 1.741 120.402 118.600 0.101 0.000 2.539 361 c HA 0.348 4.921 4.570 0.006 0.000 0.271 361 c C 2.051 176.182 174.090 0.068 0.000 1.412 361 c CA 1.194 57.587 56.329 0.106 0.000 1.729 361 c CB -1.564 41.022 42.510 0.128 0.000 1.739 361 c HN 0.697 nan 8.230 nan 0.000 0.570 362 A N -0.322 122.529 122.820 0.053 0.000 2.535 362 A HA 0.699 5.023 4.320 0.006 0.000 0.273 362 A C 0.691 178.289 177.584 0.023 0.000 1.267 362 A CA 0.285 52.342 52.037 0.033 0.000 0.940 362 A CB -0.130 18.888 19.000 0.030 0.000 1.101 362 A HN 0.426 nan 8.150 nan 0.000 0.521 363 A N -1.143 121.692 122.820 0.025 0.000 2.320 363 A HA 0.736 5.059 4.320 0.006 0.000 0.334 363 A C 1.392 178.976 177.584 0.001 0.000 1.147 363 A CA 0.104 52.146 52.037 0.009 0.000 0.820 363 A CB 0.588 19.590 19.000 0.004 0.000 1.218 363 A HN 1.068 nan 8.150 nan 0.000 0.482 364 A N 0.545 123.360 122.820 -0.008 0.000 1.869 364 A HA -0.101 4.223 4.320 0.006 0.000 0.218 364 A C 0.857 178.429 177.584 -0.020 0.000 1.203 364 A CA 2.361 54.391 52.037 -0.012 0.000 0.638 364 A CB -0.427 18.564 19.000 -0.015 0.000 0.831 364 A HN 0.765 nan 8.150 nan 0.000 0.450 365 D N -1.853 118.525 120.400 -0.037 0.000 2.462 365 D HA 0.443 5.087 4.640 0.006 0.000 0.249 365 D C -1.931 174.308 176.300 -0.102 0.000 1.117 365 D CA -2.179 51.785 54.000 -0.060 0.000 0.900 365 D CB 1.141 41.900 40.800 -0.067 0.000 1.039 365 D HN -0.024 nan 8.370 nan 0.000 0.516 366 P HA -0.193 nan 4.420 nan 0.000 0.211 366 P C 1.547 178.509 177.300 -0.563 0.000 1.181 366 P CA 2.676 65.717 63.100 -0.098 0.000 0.929 366 P CB -0.031 31.731 31.700 0.103 0.000 0.789 367 H N -1.248 117.502 119.070 -0.534 0.000 2.472 367 H HA -0.162 4.397 4.556 0.006 0.000 0.296 367 H C 1.908 176.824 175.328 -0.686 0.000 1.120 367 H CA 2.573 58.163 56.048 -0.764 0.000 1.250 367 H CB -1.662 27.959 29.762 -0.235 0.000 1.366 367 H HN 0.389 nan 8.280 nan 0.000 0.524 368 E N -1.002 118.944 120.200 -0.422 0.000 2.340 368 E HA 0.084 4.437 4.350 0.006 0.000 0.194 368 E C 2.473 178.930 176.600 -0.237 0.000 0.996 368 E CA 0.753 56.995 56.400 -0.264 0.000 0.869 368 E CB -1.138 nan 29.700 nan 0.000 0.835 368 E HN 0.880 nan 8.360 nan 0.000 0.493 369 c N 0.477 118.914 118.600 -0.272 0.000 2.489 369 c HA -0.035 4.538 4.570 0.006 0.000 0.279 369 c C 2.572 176.621 174.090 -0.068 0.000 1.266 369 c CA 1.502 57.751 56.329 -0.133 0.000 1.707 369 c CB -1.101 41.366 42.510 -0.072 0.000 2.059 369 c HN 0.830 nan 8.230 nan 0.000 0.481 370 Y N 1.208 121.504 120.300 -0.006 0.000 2.511 370 Y HA 0.490 5.041 4.550 0.002 0.000 0.279 370 Y C 2.033 177.946 175.900 0.021 0.000 1.157 370 Y CA 0.275 58.379 58.100 0.006 0.000 1.300 370 Y CB -1.552 36.911 38.460 0.005 0.000 1.052 370 Y HN 0.224 nan 8.280 nan 0.000 0.529 371 A N 1.639 124.450 122.820 -0.015 0.000 1.971 371 A HA -0.223 4.100 4.320 0.006 0.000 0.222 371 A C 2.125 179.740 177.584 0.051 0.000 1.182 371 A CA 2.600 54.650 52.037 0.023 0.000 0.649 371 A CB -1.085 17.859 19.000 -0.094 0.000 0.818 371 A HN 0.544 nan 8.150 nan 0.000 0.458 372 K N -0.460 119.966 120.400 0.042 0.000 2.493 372 K HA 0.592 4.916 4.320 0.006 0.000 0.207 372 K C 1.340 177.959 176.600 0.032 0.000 1.033 372 K CA 0.546 56.851 56.287 0.030 0.000 1.161 372 K CB -0.987 31.520 32.500 0.012 0.000 0.873 372 K HN 0.415 nan 8.250 nan 0.000 0.491 373 V N -0.212 119.746 119.914 0.072 0.000 2.287 373 V HA -0.168 3.955 4.120 0.006 0.000 0.248 373 V C 1.859 177.764 176.094 -0.314 0.000 1.053 373 V CA 1.970 64.258 62.300 -0.020 0.000 1.027 373 V CB -0.645 31.270 31.823 0.153 0.000 0.646 373 V HN 0.661 nan 8.190 nan 0.000 0.447 374 F N 0.567 120.222 119.950 -0.492 0.000 2.373 374 F HA -0.122 4.407 4.527 0.004 0.000 0.300 374 F C 2.246 177.879 175.800 -0.278 0.000 1.080 374 F CA 1.395 59.074 58.000 -0.534 0.000 1.417 374 F CB -0.724 38.230 39.000 -0.076 0.000 1.070 374 F HN 0.326 nan 8.300 nan 0.000 0.546 375 D N -0.532 119.857 120.400 -0.018 0.000 2.323 375 D HA -0.091 4.552 4.640 0.006 0.000 0.209 375 D C 1.835 178.127 176.300 -0.013 0.000 0.973 375 D CA 0.606 54.616 54.000 0.016 0.000 0.874 375 D CB 0.013 40.826 40.800 0.023 0.000 0.930 375 D HN 0.404 nan 8.370 nan 0.000 0.521 376 E N -0.802 119.337 120.200 -0.102 0.000 2.447 376 E HA -0.023 4.331 4.350 0.006 0.000 0.195 376 E C 1.256 177.923 176.600 0.113 0.000 1.028 376 E CA -0.034 56.352 56.400 -0.023 0.000 0.876 376 E CB 0.279 29.959 29.700 -0.035 0.000 0.885 376 E HN 0.088 nan 8.360 nan 0.000 0.500 377 F N 1.344 121.295 119.950 0.003 0.000 2.149 377 F HA -0.028 4.498 4.527 -0.001 0.000 0.294 377 F C 2.193 177.955 175.800 -0.064 0.000 1.095 377 F CA 0.778 58.736 58.000 -0.070 0.000 1.276 377 F CB -0.968 37.958 39.000 -0.123 0.000 1.023 377 F HN -0.068 nan 8.300 nan 0.000 0.480 378 K N 1.085 121.593 120.400 0.180 0.000 2.031 378 K HA -0.256 4.068 4.320 0.006 0.000 0.228 378 K C -0.680 175.943 176.600 0.038 0.000 1.050 378 K CA 2.850 59.192 56.287 0.092 0.000 0.980 378 K CB -1.552 30.995 32.500 0.079 0.000 0.738 378 K HN 0.124 nan 8.250 nan 0.000 0.451 379 P HA -0.162 nan 4.420 nan 0.000 0.218 379 P C 1.477 178.766 177.300 -0.019 0.000 1.148 379 P CA 1.137 64.242 63.100 0.009 0.000 0.822 379 P CB -0.010 31.699 31.700 0.016 0.000 0.784 380 L N -0.588 120.622 121.223 -0.020 0.000 2.093 380 L HA -0.090 4.253 4.340 0.006 0.000 0.208 380 L C 2.769 179.545 176.870 -0.157 0.000 1.085 380 L CA 1.435 56.229 54.840 -0.076 0.000 0.755 380 L CB -1.540 40.473 42.059 -0.076 0.000 0.904 380 L HN -0.162 nan 8.230 nan 0.000 0.435 381 V N -0.988 118.821 119.914 -0.175 0.000 2.453 381 V HA -0.200 3.923 4.120 0.006 0.000 0.247 381 V C 2.329 178.308 176.094 -0.192 0.000 1.048 381 V CA 1.261 63.386 62.300 -0.292 0.000 1.049 381 V CB -0.396 31.270 31.823 -0.261 0.000 0.672 381 V HN 0.454 nan 8.190 nan 0.000 0.457 382 E N -0.315 119.828 120.200 -0.095 0.000 2.106 382 E HA -0.206 4.147 4.350 0.006 0.000 0.192 382 E C 2.281 178.851 176.600 -0.051 0.000 0.984 382 E CA 0.852 57.219 56.400 -0.054 0.000 0.806 382 E CB -0.110 29.579 29.700 -0.018 0.000 0.750 382 E HN 0.526 nan 8.360 nan 0.000 0.458 383 E N 0.959 121.126 120.200 -0.056 0.000 2.033 383 E HA -0.185 4.168 4.350 0.006 0.000 0.199 383 E C -0.611 175.963 176.600 -0.044 0.000 1.011 383 E CA 1.841 58.217 56.400 -0.041 0.000 0.815 383 E CB -0.908 28.767 29.700 -0.043 0.000 0.755 383 E HN 0.199 nan 8.360 nan 0.000 0.451 384 P HA -0.139 nan 4.420 nan 0.000 0.216 384 P C 1.458 178.728 177.300 -0.049 0.000 1.153 384 P CA 1.453 64.513 63.100 -0.067 0.000 0.848 384 P CB -0.210 31.420 31.700 -0.116 0.000 0.787 385 Q N -0.264 119.499 119.800 -0.062 0.000 2.030 385 Q HA -0.161 4.183 4.340 0.006 0.000 0.204 385 Q C 2.241 178.238 176.000 -0.005 0.000 0.986 385 Q CA 1.427 57.213 55.803 -0.029 0.000 0.843 385 Q CB -0.593 28.130 28.738 -0.025 0.000 0.904 385 Q HN 0.292 nan 8.270 nan 0.000 0.420 386 N N 0.673 119.371 118.700 -0.004 0.000 2.166 386 N HA -0.123 4.620 4.740 0.006 0.000 0.186 386 N C 1.846 177.368 175.510 0.020 0.000 1.019 386 N CA 0.923 53.979 53.050 0.010 0.000 0.856 386 N CB -0.245 38.247 38.487 0.009 0.000 0.993 386 N HN 0.219 nan 8.380 nan 0.000 0.426 387 L N 0.714 121.948 121.223 0.019 0.000 2.042 387 L HA -0.145 4.198 4.340 0.006 0.000 0.210 387 L C 2.110 179.008 176.870 0.046 0.000 1.076 387 L CA 0.810 55.672 54.840 0.037 0.000 0.749 387 L CB -0.303 41.778 42.059 0.036 0.000 0.893 387 L HN 0.127 nan 8.230 nan 0.000 0.432 388 I N 0.544 121.132 120.570 0.030 0.000 2.142 388 I HA -0.316 3.857 4.170 0.006 0.000 0.240 388 I C 3.132 179.269 176.117 0.033 0.000 1.078 388 I CA 2.014 63.332 61.300 0.029 0.000 1.343 388 I CB -1.460 36.550 38.000 0.015 0.000 1.046 388 I HN 0.216 nan 8.210 nan 0.000 0.405 389 K N 0.886 121.305 120.400 0.031 0.000 2.020 389 K HA -0.251 4.073 4.320 0.006 0.000 0.212 389 K C 2.047 178.673 176.600 0.044 0.000 1.050 389 K CA 2.057 58.364 56.287 0.034 0.000 0.929 389 K CB -1.414 31.103 32.500 0.029 0.000 0.714 389 K HN 0.578 nan 8.250 nan 0.000 0.443 390 Q N 0.109 119.938 119.800 0.048 0.000 2.096 390 Q HA -0.197 4.147 4.340 0.006 0.000 0.204 390 Q C 1.881 177.936 176.000 0.091 0.000 0.982 390 Q CA 1.842 57.681 55.803 0.060 0.000 0.850 390 Q CB -0.136 28.634 28.738 0.054 0.000 0.901 390 Q HN 0.675 nan 8.270 nan 0.000 0.422 391 N N -0.392 118.371 118.700 0.105 0.000 2.354 391 N HA -0.060 4.683 4.740 0.006 0.000 0.179 391 N C 1.705 177.271 175.510 0.094 0.000 1.021 391 N CA 0.917 54.069 53.050 0.171 0.000 0.887 391 N CB -0.049 38.560 38.487 0.203 0.000 0.974 391 N HN 0.312 nan 8.380 nan 0.000 0.437 392 c N 1.037 119.660 118.600 0.039 0.000 2.467 392 c HA 0.063 4.636 4.570 0.006 0.000 0.279 392 c C 2.498 176.632 174.090 0.074 0.000 1.347 392 c CA 0.094 56.431 56.329 0.013 0.000 1.748 392 c CB -0.543 41.972 42.510 0.007 0.000 1.977 392 c HN 0.469 nan 8.230 nan 0.000 0.501 393 E N 0.607 120.845 120.200 0.064 0.000 2.023 393 E HA -0.255 4.098 4.350 0.006 0.000 0.196 393 E C 2.016 178.649 176.600 0.054 0.000 1.003 393 E CA 1.282 57.714 56.400 0.054 0.000 0.809 393 E CB -0.393 29.336 29.700 0.047 0.000 0.755 393 E HN 0.438 nan 8.360 nan 0.000 0.449 394 L N 1.057 122.334 121.223 0.089 0.000 2.021 394 L HA -0.230 4.114 4.340 0.006 0.000 0.215 394 L C 2.177 179.102 176.870 0.091 0.000 1.074 394 L CA 1.800 56.718 54.840 0.130 0.000 0.760 394 L CB -0.838 41.368 42.059 0.244 0.000 0.889 394 L HN 0.178 nan 8.230 nan 0.000 0.433 395 F N 0.436 120.250 119.950 -0.227 0.000 2.250 395 F HA -0.190 4.340 4.527 0.005 0.000 0.301 395 F C 2.156 177.821 175.800 -0.225 0.000 1.077 395 F CA 1.905 59.578 58.000 -0.545 0.000 1.348 395 F CB -0.190 38.171 39.000 -1.065 0.000 1.040 395 F HN 0.321 nan 8.300 nan 0.000 0.509 396 E N -0.316 119.734 120.200 -0.251 0.000 2.230 396 E HA -0.152 4.202 4.350 0.006 0.000 0.192 396 E C 2.050 178.519 176.600 -0.218 0.000 0.987 396 E CA 0.795 57.025 56.400 -0.284 0.000 0.841 396 E CB -0.166 29.500 29.700 -0.056 0.000 0.783 396 E HN 0.632 nan 8.360 nan 0.000 0.481 397 Q N 0.365 120.089 119.800 -0.127 0.000 2.049 397 Q HA -0.009 4.334 4.340 0.006 0.000 0.198 397 Q C 0.915 176.862 176.000 -0.088 0.000 0.971 397 Q CA 0.789 56.549 55.803 -0.072 0.000 0.833 397 Q CB 0.148 28.876 28.738 -0.016 0.000 0.896 397 Q HN 0.168 nan 8.270 nan 0.000 0.434 398 L N -1.005 120.160 121.223 -0.097 0.000 2.376 398 L HA 0.499 4.843 4.340 0.006 0.000 0.267 398 L C 0.658 177.406 176.870 -0.204 0.000 1.035 398 L CA -0.904 53.898 54.840 -0.063 0.000 0.800 398 L CB 0.699 42.793 42.059 0.058 0.000 1.290 398 L HN 0.038 nan 8.230 nan 0.000 0.462 399 G N -1.145 107.594 108.800 -0.101 0.000 2.568 399 G HA2 0.205 4.169 3.960 0.006 0.000 0.293 399 G HA3 0.205 4.169 3.960 0.006 0.000 0.293 399 G C 0.407 175.295 174.900 -0.019 0.000 1.347 399 G CA -0.223 44.776 45.100 -0.167 0.000 1.039 399 G HN 0.772 nan 8.290 nan 0.000 0.523 400 E N -1.324 118.948 120.200 0.119 0.000 2.033 400 E HA -0.279 4.074 4.350 0.006 0.000 0.199 400 E C 1.932 178.740 176.600 0.346 0.000 1.011 400 E CA 1.629 58.265 56.400 0.393 0.000 0.815 400 E CB -0.353 29.554 29.700 0.346 0.000 0.755 400 E HN 0.504 nan 8.360 nan 0.000 0.451 401 Y N 1.296 121.693 120.300 0.161 0.000 2.081 401 Y HA -0.236 4.318 4.550 0.007 0.000 0.280 401 Y C 2.121 178.094 175.900 0.122 0.000 1.163 401 Y CA 2.262 60.437 58.100 0.126 0.000 1.135 401 Y CB -0.144 38.368 38.460 0.086 0.000 0.970 401 Y HN -0.063 nan 8.280 nan 0.000 0.498 402 K N -0.961 119.441 120.400 0.003 0.000 2.148 402 K HA -0.179 4.144 4.320 0.006 0.000 0.204 402 K C 2.021 178.601 176.600 -0.034 0.000 1.050 402 K CA 1.394 57.627 56.287 -0.090 0.000 0.942 402 K CB -0.505 32.033 32.500 0.062 0.000 0.724 402 K HN 0.372 nan 8.250 nan 0.000 0.446 403 F N 2.462 122.385 119.950 -0.044 0.000 2.234 403 F HA -0.170 4.359 4.527 0.004 0.000 0.299 403 F C 1.970 177.774 175.800 0.005 0.000 1.087 403 F CA 1.466 59.482 58.000 0.027 0.000 1.340 403 F CB -0.043 39.066 39.000 0.183 0.000 1.031 403 F HN 0.017 nan 8.300 nan 0.000 0.500 404 Q N -0.183 119.548 119.800 -0.114 0.000 2.167 404 Q HA -0.163 4.180 4.340 0.006 0.000 0.202 404 Q C 1.717 177.565 176.000 -0.253 0.000 0.970 404 Q CA 1.265 56.947 55.803 -0.201 0.000 0.855 404 Q CB -0.287 28.409 28.738 -0.071 0.000 0.911 404 Q HN 0.403 nan 8.270 nan 0.000 0.438 405 N N 0.874 119.398 118.700 -0.293 0.000 2.188 405 N HA -0.091 4.653 4.740 0.006 0.000 0.184 405 N C 1.591 176.982 175.510 -0.198 0.000 1.018 405 N CA 1.253 54.157 53.050 -0.244 0.000 0.858 405 N CB -0.322 38.001 38.487 -0.273 0.000 0.989 405 N HN 0.227 nan 8.380 nan 0.000 0.426 406 A N 1.172 123.856 122.820 -0.227 0.000 1.902 406 A HA -0.049 4.274 4.320 0.006 0.000 0.217 406 A C 2.277 179.680 177.584 -0.302 0.000 1.181 406 A CA 0.927 52.830 52.037 -0.222 0.000 0.623 406 A CB -0.747 18.136 19.000 -0.195 0.000 0.818 406 A HN 0.213 nan 8.150 nan 0.000 0.443 407 L N -1.106 119.880 121.223 -0.395 0.000 2.083 407 L HA -0.166 4.178 4.340 0.006 0.000 0.209 407 L C 2.511 179.253 176.870 -0.214 0.000 1.083 407 L CA 0.586 55.200 54.840 -0.376 0.000 0.752 407 L CB -0.574 41.354 42.059 -0.218 0.000 0.899 407 L HN 0.302 nan 8.230 nan 0.000 0.433 408 L N -0.361 120.787 121.223 -0.125 0.000 1.989 408 L HA -0.193 4.151 4.340 0.006 0.000 0.211 408 L C 2.517 179.344 176.870 -0.072 0.000 1.071 408 L CA 1.654 56.466 54.840 -0.047 0.000 0.749 408 L CB -0.792 41.232 42.059 -0.058 0.000 0.890 408 L HN -0.037 nan 8.230 nan 0.000 0.431 409 V N -0.406 119.439 119.914 -0.114 0.000 2.287 409 V HA -0.330 3.793 4.120 0.006 0.000 0.248 409 V C 2.720 178.726 176.094 -0.145 0.000 1.053 409 V CA 2.070 64.308 62.300 -0.103 0.000 1.027 409 V CB -0.711 31.052 31.823 -0.100 0.000 0.646 409 V HN 0.482 nan 8.190 nan 0.000 0.447 410 R N -0.898 119.444 120.500 -0.265 0.000 2.091 410 R HA -0.198 4.145 4.340 0.006 0.000 0.238 410 R C 2.245 178.329 176.300 -0.360 0.000 1.136 410 R CA 2.093 57.962 56.100 -0.384 0.000 0.959 410 R CB -0.292 29.626 30.300 -0.637 0.000 0.856 410 R HN 0.563 nan 8.270 nan 0.000 0.437 411 Y N -0.596 119.667 120.300 -0.063 0.000 2.490 411 Y HA 0.103 4.655 4.550 0.003 0.000 0.285 411 Y C 2.320 178.185 175.900 -0.059 0.000 1.117 411 Y CA 0.895 58.963 58.100 -0.053 0.000 1.262 411 Y CB -0.267 38.157 38.460 -0.061 0.000 1.043 411 Y HN 0.037 nan 8.280 nan 0.000 0.553 412 T N -0.083 114.499 114.554 0.047 0.000 2.821 412 T HA -0.126 4.228 4.350 0.006 0.000 0.267 412 T C 1.811 176.467 174.700 -0.074 0.000 1.046 412 T CA 1.259 63.350 62.100 -0.015 0.000 1.139 412 T CB -0.067 68.789 68.868 -0.020 0.000 0.871 412 T HN 0.284 nan 8.240 nan 0.000 0.454 413 K N 0.866 121.230 120.400 -0.059 0.000 2.148 413 K HA 0.014 4.337 4.320 0.006 0.000 0.204 413 K C 2.343 178.913 176.600 -0.050 0.000 1.050 413 K CA 0.912 57.160 56.287 -0.065 0.000 0.942 413 K CB 0.004 32.475 32.500 -0.050 0.000 0.724 413 K HN 0.257 nan 8.250 nan 0.000 0.446 414 K N 0.567 120.963 120.400 -0.006 0.000 2.103 414 K HA -0.044 4.279 4.320 0.006 0.000 0.204 414 K C 0.833 177.440 176.600 0.012 0.000 1.052 414 K CA 1.083 57.388 56.287 0.031 0.000 0.945 414 K CB 0.402 32.968 32.500 0.110 0.000 0.722 414 K HN 0.050 nan 8.250 nan 0.000 0.443 415 V N -1.922 117.987 119.914 -0.007 0.000 2.462 415 V HA 0.245 4.369 4.120 0.006 0.000 0.257 415 V C -2.739 173.288 176.094 -0.111 0.000 0.944 415 V CA -1.584 60.697 62.300 -0.031 0.000 0.903 415 V CB 1.246 33.085 31.823 0.026 0.000 1.128 415 V HN -0.109 nan 8.190 nan 0.000 0.486 416 P HA -0.080 nan 4.420 nan 0.000 0.222 416 P C 1.319 178.451 177.300 -0.281 0.000 1.147 416 P CA 1.276 64.070 63.100 -0.511 0.000 0.790 416 P CB 0.222 31.013 31.700 -1.515 0.000 0.780 417 Q N -1.047 118.676 119.800 -0.128 0.000 2.369 417 Q HA -0.000 4.343 4.340 0.006 0.000 0.206 417 Q C 0.684 176.712 176.000 0.047 0.000 0.963 417 Q CA 0.469 56.293 55.803 0.035 0.000 0.894 417 Q CB -0.822 27.968 28.738 0.087 0.000 0.965 417 Q HN 0.123 nan 8.270 nan 0.000 0.475 418 V N 1.041 120.973 119.914 0.030 0.000 2.811 418 V HA 0.022 4.146 4.120 0.006 0.000 0.302 418 V C 0.561 176.675 176.094 0.034 0.000 1.063 418 V CA -0.386 61.946 62.300 0.054 0.000 1.088 418 V CB 1.462 33.316 31.823 0.051 0.000 0.982 418 V HN 0.228 nan 8.190 nan 0.000 0.485 419 S N 2.948 118.671 115.700 0.039 0.000 2.558 419 S HA -0.016 4.457 4.470 0.006 0.000 0.288 419 S C 1.429 176.040 174.600 0.018 0.000 1.318 419 S CA 0.317 58.532 58.200 0.025 0.000 1.056 419 S CB 0.828 64.041 63.200 0.022 0.000 0.853 419 S HN 0.879 nan 8.310 nan 0.000 0.505 420 T N 5.724 120.286 114.554 0.012 0.000 2.708 420 T HA -0.027 4.327 4.350 0.006 0.000 0.266 420 T C -0.922 173.785 174.700 0.012 0.000 1.037 420 T CA 1.570 63.676 62.100 0.010 0.000 1.146 420 T CB -0.962 67.906 68.868 0.000 0.000 0.865 420 T HN 0.702 nan 8.240 nan 0.000 0.435 421 P HA 0.035 nan 4.420 nan 0.000 0.229 421 P C 1.183 178.490 177.300 0.013 0.000 1.160 421 P CA 0.998 64.105 63.100 0.013 0.000 0.777 421 P CB -0.216 31.490 31.700 0.009 0.000 0.814 422 T N 0.308 114.869 114.554 0.012 0.000 2.896 422 T HA 0.034 4.388 4.350 0.006 0.000 0.263 422 T C 1.922 176.620 174.700 -0.003 0.000 1.050 422 T CA 0.742 62.847 62.100 0.008 0.000 1.140 422 T CB -0.587 68.292 68.868 0.019 0.000 0.877 422 T HN 0.051 nan 8.240 nan 0.000 0.457 423 L N 0.710 121.936 121.223 0.004 0.000 2.093 423 L HA -0.059 4.285 4.340 0.006 0.000 0.208 423 L C 2.589 179.464 176.870 0.007 0.000 1.085 423 L CA 0.802 55.644 54.840 0.004 0.000 0.755 423 L CB -0.510 41.560 42.059 0.019 0.000 0.904 423 L HN 0.144 nan 8.230 nan 0.000 0.435 424 V N -0.568 119.355 119.914 0.015 0.000 2.307 424 V HA -0.289 3.834 4.120 0.006 0.000 0.245 424 V C 2.649 178.754 176.094 0.018 0.000 1.045 424 V CA 1.963 64.276 62.300 0.023 0.000 1.024 424 V CB -0.444 31.400 31.823 0.035 0.000 0.651 424 V HN 0.498 nan 8.190 nan 0.000 0.449 425 E N -0.078 120.129 120.200 0.012 0.000 2.038 425 E HA -0.231 4.122 4.350 0.006 0.000 0.195 425 E C 2.205 178.798 176.600 -0.012 0.000 1.000 425 E CA 1.932 58.336 56.400 0.007 0.000 0.803 425 E CB -0.635 29.068 29.700 0.005 0.000 0.750 425 E HN 0.473 nan 8.360 nan 0.000 0.448 426 V N 0.908 120.800 119.914 -0.037 0.000 2.343 426 V HA -0.224 3.899 4.120 0.006 0.000 0.247 426 V C 2.725 178.773 176.094 -0.077 0.000 1.051 426 V CA 2.326 64.577 62.300 -0.082 0.000 1.036 426 V CB -0.758 30.983 31.823 -0.137 0.000 0.654 426 V HN 0.441 nan 8.190 nan 0.000 0.451 427 S N -0.485 115.192 115.700 -0.038 0.000 2.383 427 S HA -0.144 4.330 4.470 0.006 0.000 0.227 427 S C 2.053 176.655 174.600 0.003 0.000 1.026 427 S CA 1.240 59.439 58.200 -0.001 0.000 0.981 427 S CB -0.275 62.944 63.200 0.031 0.000 0.818 427 S HN 0.555 nan 8.310 nan 0.000 0.472 428 R N 1.671 122.179 120.500 0.013 0.000 2.073 428 R HA 0.012 4.356 4.340 0.006 0.000 0.234 428 R C 1.903 178.223 176.300 0.034 0.000 1.134 428 R CA 1.389 57.512 56.100 0.039 0.000 0.952 428 R CB -0.485 29.846 30.300 0.051 0.000 0.850 428 R HN 0.340 nan 8.270 nan 0.000 0.433 429 N N 0.838 119.542 118.700 0.007 0.000 2.166 429 N HA -0.140 4.604 4.740 0.006 0.000 0.186 429 N C 1.687 177.190 175.510 -0.012 0.000 1.019 429 N CA 0.953 53.997 53.050 -0.010 0.000 0.856 429 N CB -0.217 38.256 38.487 -0.024 0.000 0.993 429 N HN 0.054 nan 8.380 nan 0.000 0.426 430 L N 0.954 122.172 121.223 -0.009 0.000 2.027 430 L HA 0.010 4.353 4.340 0.006 0.000 0.206 430 L C 2.355 179.288 176.870 0.104 0.000 1.074 430 L CA 1.489 56.338 54.840 0.016 0.000 0.745 430 L CB -1.444 40.610 42.059 -0.008 0.000 0.898 430 L HN 0.171 nan 8.230 nan 0.000 0.433 431 G N -0.877 108.000 108.800 0.129 0.000 2.469 431 G HA2 -0.297 3.667 3.960 0.006 0.000 0.219 431 G HA3 -0.297 3.667 3.960 0.006 0.000 0.219 431 G C 1.732 176.755 174.900 0.204 0.000 1.150 431 G CA 0.836 46.116 45.100 0.299 0.000 0.763 431 G HN 0.365 nan 8.290 nan 0.000 0.561 432 K N -0.044 120.400 120.400 0.074 0.000 2.063 432 K HA -0.037 4.286 4.320 0.006 0.000 0.208 432 K C 2.528 179.044 176.600 -0.140 0.000 1.048 432 K CA 1.138 57.409 56.287 -0.026 0.000 0.928 432 K CB -0.332 32.132 32.500 -0.060 0.000 0.713 432 K HN 0.242 nan 8.250 nan 0.000 0.442 433 V N 0.887 120.726 119.914 -0.125 0.000 2.490 433 V HA -0.192 3.932 4.120 0.006 0.000 0.250 433 V C 2.317 178.323 176.094 -0.146 0.000 1.061 433 V CA 2.134 64.341 62.300 -0.154 0.000 1.064 433 V CB -0.884 30.929 31.823 -0.016 0.000 0.670 433 V HN 0.501 nan 8.190 nan 0.000 0.461 434 G N 0.240 108.940 108.800 -0.168 0.000 2.394 434 G HA2 -0.201 3.763 3.960 0.006 0.000 0.215 434 G HA3 -0.201 3.763 3.960 0.006 0.000 0.215 434 G C 1.790 176.101 174.900 -0.981 0.000 1.165 434 G CA 1.044 45.856 45.100 -0.480 0.000 0.784 434 G HN 0.649 nan 8.290 nan 0.000 0.535 435 S N -0.195 115.039 115.700 -0.777 0.000 2.481 435 S HA -0.005 4.468 4.470 0.006 0.000 0.231 435 S C 1.977 176.411 174.600 -0.277 0.000 0.996 435 S CA 1.600 59.428 58.200 -0.619 0.000 0.942 435 S CB 0.162 63.357 63.200 -0.007 0.000 0.768 435 S HN 0.278 nan 8.310 nan 0.000 0.520 436 K N 0.464 120.728 120.400 -0.227 0.000 2.168 436 K HA 0.205 4.529 4.320 0.006 0.000 0.201 436 K C 2.024 178.672 176.600 0.079 0.000 1.049 436 K CA 0.939 57.176 56.287 -0.083 0.000 0.974 436 K CB -1.029 31.365 32.500 -0.176 0.000 0.792 436 K HN 0.703 nan 8.250 nan 0.000 0.463 437 c N 0.114 118.751 118.600 0.061 0.000 2.512 437 c HA 0.219 4.792 4.570 0.006 0.000 0.276 437 c C 2.735 176.901 174.090 0.126 0.000 1.368 437 c CA 0.198 56.655 56.329 0.213 0.000 1.755 437 c CB -1.070 41.503 42.510 0.106 0.000 2.008 437 c HN 0.725 nan 8.230 nan 0.000 0.511 438 c N 1.078 119.615 118.600 -0.105 0.000 2.437 438 c HA -0.040 4.533 4.570 0.006 0.000 0.283 438 c C 2.368 176.453 174.090 -0.008 0.000 1.424 438 c CA 0.829 57.099 56.329 -0.100 0.000 1.782 438 c CB -1.025 41.311 42.510 -0.290 0.000 1.833 438 c HN 0.544 nan 8.230 nan 0.000 0.532 439 K N 0.500 120.879 120.400 -0.036 0.000 2.525 439 K HA 0.074 4.398 4.320 0.006 0.000 0.192 439 K C 0.476 177.004 176.600 -0.120 0.000 1.029 439 K CA 0.512 56.761 56.287 -0.063 0.000 1.029 439 K CB -0.434 32.000 32.500 -0.110 0.000 0.814 439 K HN 0.664 nan 8.250 nan 0.000 0.503 440 H N 1.256 120.325 119.070 -0.000 0.000 2.505 440 H HA 0.180 4.740 4.556 0.006 0.000 0.351 440 H C -2.036 173.295 175.328 0.005 0.000 1.151 440 H CA -1.760 54.291 56.048 0.005 0.000 1.339 440 H CB 0.816 30.581 29.762 0.005 0.000 1.483 440 H HN -0.050 nan 8.280 nan 0.000 0.558 441 P HA 0.022 nan 4.420 nan 0.000 0.275 441 P C 0.816 178.161 177.300 0.075 0.000 1.228 441 P CA -0.194 62.953 63.100 0.079 0.000 0.786 441 P CB 1.420 33.155 31.700 0.058 0.000 0.927 442 E N 2.602 122.834 120.200 0.053 0.000 2.149 442 E HA -0.321 4.032 4.350 0.006 0.000 0.215 442 E C 1.701 178.324 176.600 0.037 0.000 1.055 442 E CA 2.244 58.670 56.400 0.043 0.000 0.870 442 E CB -0.486 29.237 29.700 0.038 0.000 0.764 442 E HN 0.566 nan 8.360 nan 0.000 0.463 443 A N -0.264 122.574 122.820 0.030 0.000 2.234 443 A HA -0.135 4.189 4.320 0.006 0.000 0.216 443 A C 2.008 179.591 177.584 -0.002 0.000 1.167 443 A CA 2.168 54.216 52.037 0.018 0.000 0.698 443 A CB -0.538 18.464 19.000 0.003 0.000 0.779 443 A HN 0.325 nan 8.150 nan 0.000 0.475 444 K N -0.593 119.802 120.400 -0.009 0.000 2.477 444 K HA 0.294 4.617 4.320 0.006 0.000 0.208 444 K C 1.639 178.161 176.600 -0.129 0.000 1.117 444 K CA 0.343 56.584 56.287 -0.077 0.000 1.039 444 K CB -0.238 32.209 32.500 -0.089 0.000 0.937 444 K HN 0.543 nan 8.250 nan 0.000 0.570 445 R N -0.229 120.242 120.500 -0.048 0.000 2.070 445 R HA 0.068 4.411 4.340 0.006 0.000 0.233 445 R C 2.408 178.677 176.300 -0.050 0.000 1.137 445 R CA 1.801 57.877 56.100 -0.039 0.000 0.945 445 R CB -0.329 29.979 30.300 0.013 0.000 0.845 445 R HN 0.423 nan 8.270 nan 0.000 0.430 446 M N 0.632 120.214 119.600 -0.030 0.000 2.108 446 M HA -0.107 4.376 4.480 0.006 0.000 0.261 446 M C -0.899 175.368 176.300 -0.055 0.000 1.066 446 M CA 1.886 57.167 55.300 -0.032 0.000 1.107 446 M CB -0.671 31.918 32.600 -0.019 0.000 1.356 446 M HN -0.046 nan 8.290 nan 0.000 0.406 447 P HA -0.111 nan 4.420 nan 0.000 0.219 447 P C 1.630 178.847 177.300 -0.140 0.000 1.150 447 P CA 1.053 64.091 63.100 -0.104 0.000 0.814 447 P CB -0.248 31.381 31.700 -0.119 0.000 0.787 448 c N -0.212 118.288 118.600 -0.166 0.000 2.462 448 c HA -0.021 4.552 4.570 0.006 0.000 0.278 448 c C 2.815 176.859 174.090 -0.077 0.000 1.253 448 c CA 1.522 57.738 56.329 -0.189 0.000 1.713 448 c CB -1.619 40.754 42.510 -0.227 0.000 2.049 448 c HN 0.206 nan 8.230 nan 0.000 0.477 449 A N 0.035 122.852 122.820 -0.006 0.000 1.908 449 A HA -0.239 4.084 4.320 0.006 0.000 0.218 449 A C 2.197 179.797 177.584 0.026 0.000 1.181 449 A CA 2.052 54.121 52.037 0.054 0.000 0.627 449 A CB -1.020 17.998 19.000 0.029 0.000 0.818 449 A HN 0.829 nan 8.150 nan 0.000 0.445 450 E N -0.127 120.060 120.200 -0.021 0.000 2.058 450 E HA -0.263 4.090 4.350 0.006 0.000 0.194 450 E C 1.903 178.487 176.600 -0.028 0.000 0.997 450 E CA 1.923 58.312 56.400 -0.018 0.000 0.801 450 E CB -0.434 29.252 29.700 -0.023 0.000 0.746 450 E HN 0.649 nan 8.360 nan 0.000 0.450 451 D N -0.251 120.085 120.400 -0.105 0.000 2.104 451 D HA -0.204 4.440 4.640 0.006 0.000 0.194 451 D C 1.793 178.006 176.300 -0.144 0.000 0.994 451 D CA 1.685 55.579 54.000 -0.176 0.000 0.830 451 D CB -0.866 39.714 40.800 -0.366 0.000 0.959 451 D HN 0.268 nan 8.370 nan 0.000 0.452 452 Y N -0.520 119.779 120.300 -0.003 0.000 2.220 452 Y HA 0.161 4.714 4.550 0.005 0.000 0.291 452 Y C 2.366 178.255 175.900 -0.019 0.000 1.129 452 Y CA 0.309 58.406 58.100 -0.005 0.000 1.161 452 Y CB -0.559 37.898 38.460 -0.005 0.000 0.997 452 Y HN 0.157 nan 8.280 nan 0.000 0.522 453 L N -0.032 121.269 121.223 0.129 0.000 2.191 453 L HA -0.176 4.167 4.340 0.006 0.000 0.212 453 L C 2.522 179.396 176.870 0.007 0.000 1.103 453 L CA 1.916 56.782 54.840 0.044 0.000 0.769 453 L CB -1.072 41.002 42.059 0.025 0.000 0.908 453 L HN 0.310 nan 8.230 nan 0.000 0.438 454 S N -1.557 114.152 115.700 0.015 0.000 2.402 454 S HA -0.141 4.333 4.470 0.006 0.000 0.229 454 S C 1.964 176.560 174.600 -0.007 0.000 1.021 454 S CA 1.233 59.432 58.200 -0.002 0.000 0.974 454 S CB -1.181 62.015 63.200 -0.007 0.000 0.800 454 S HN 0.352 nan 8.310 nan 0.000 0.484 455 V N -0.010 119.911 119.914 0.013 0.000 2.446 455 V HA 0.066 4.189 4.120 0.006 0.000 0.244 455 V C 2.251 178.341 176.094 -0.007 0.000 1.039 455 V CA 1.129 63.435 62.300 0.010 0.000 1.045 455 V CB -1.131 30.716 31.823 0.040 0.000 0.681 455 V HN 0.364 nan 8.190 nan 0.000 0.459 456 V N 0.208 120.116 119.914 -0.011 0.000 2.407 456 V HA -0.177 3.946 4.120 0.006 0.000 0.248 456 V C 2.648 178.672 176.094 -0.117 0.000 1.055 456 V CA 2.059 64.326 62.300 -0.056 0.000 1.049 456 V CB -0.809 30.975 31.823 -0.065 0.000 0.662 456 V HN 0.467 nan 8.190 nan 0.000 0.455 457 L N 0.358 121.504 121.223 -0.128 0.000 2.156 457 L HA -0.039 4.304 4.340 0.006 0.000 0.208 457 L C 2.138 178.957 176.870 -0.085 0.000 1.095 457 L CA 1.769 56.495 54.840 -0.189 0.000 0.770 457 L CB -1.194 40.775 42.059 -0.151 0.000 0.914 457 L HN 0.444 nan 8.230 nan 0.000 0.439 458 N N -0.949 117.729 118.700 -0.037 0.000 2.135 458 N HA -0.172 4.572 4.740 0.006 0.000 0.186 458 N C 1.810 177.317 175.510 -0.005 0.000 1.027 458 N CA 1.147 54.195 53.050 -0.003 0.000 0.849 458 N CB 0.071 38.556 38.487 -0.003 0.000 1.002 458 N HN 0.346 nan 8.380 nan 0.000 0.425 459 Q N -0.341 119.448 119.800 -0.018 0.000 2.084 459 Q HA -0.146 4.197 4.340 0.006 0.000 0.202 459 Q C 1.997 177.989 176.000 -0.013 0.000 0.978 459 Q CA 1.275 57.072 55.803 -0.010 0.000 0.844 459 Q CB -0.247 28.483 28.738 -0.013 0.000 0.898 459 Q HN 0.408 nan 8.270 nan 0.000 0.426 460 L N 0.162 121.355 121.223 -0.050 0.000 2.046 460 L HA -0.171 4.173 4.340 0.006 0.000 0.208 460 L C 2.106 178.983 176.870 0.012 0.000 1.077 460 L CA 1.791 56.593 54.840 -0.063 0.000 0.747 460 L CB -0.681 41.261 42.059 -0.195 0.000 0.896 460 L HN 0.213 nan 8.230 nan 0.000 0.432 461 c N -1.688 116.932 118.600 0.032 0.000 2.457 461 c HA -0.053 4.520 4.570 0.006 0.000 0.278 461 c C 2.719 176.873 174.090 0.107 0.000 1.309 461 c CA 0.699 57.089 56.329 0.102 0.000 1.735 461 c CB -0.712 41.864 42.510 0.111 0.000 1.992 461 c HN 0.512 nan 8.230 nan 0.000 0.493 462 V N 1.371 121.324 119.914 0.063 0.000 2.237 462 V HA -0.243 3.880 4.120 0.006 0.000 0.245 462 V C 2.389 178.518 176.094 0.058 0.000 1.046 462 V CA 2.021 64.351 62.300 0.050 0.000 1.007 462 V CB -0.755 31.085 31.823 0.029 0.000 0.638 462 V HN 0.518 nan 8.190 nan 0.000 0.445 463 L N -0.485 120.772 121.223 0.058 0.000 1.963 463 L HA -0.309 4.034 4.340 0.006 0.000 0.220 463 L C 2.643 179.560 176.870 0.078 0.000 1.076 463 L CA 2.562 57.436 54.840 0.055 0.000 0.772 463 L CB -1.362 40.729 42.059 0.052 0.000 0.892 463 L HN 0.476 nan 8.230 nan 0.000 0.435 464 H N 0.147 119.228 119.070 0.018 0.000 2.390 464 H HA -0.219 4.341 4.556 0.007 0.000 0.298 464 H C 2.302 177.644 175.328 0.024 0.000 1.106 464 H CA 2.088 58.152 56.048 0.027 0.000 1.297 464 H CB 0.253 30.044 29.762 0.048 0.000 1.375 464 H HN 0.310 nan 8.280 nan 0.000 0.509 465 E N 0.647 120.916 120.200 0.114 0.000 2.049 465 E HA -0.195 4.158 4.350 0.006 0.000 0.198 465 E C 2.202 178.789 176.600 -0.021 0.000 1.007 465 E CA 1.886 58.317 56.400 0.051 0.000 0.809 465 E CB -0.049 29.682 29.700 0.052 0.000 0.749 465 E HN 0.502 nan 8.360 nan 0.000 0.450 466 K N -0.017 120.373 120.400 -0.016 0.000 1.973 466 K HA 0.018 4.341 4.320 0.006 0.000 0.212 466 K C 1.563 178.123 176.600 -0.067 0.000 1.047 466 K CA 1.786 58.055 56.287 -0.030 0.000 0.937 466 K CB -0.528 31.964 32.500 -0.013 0.000 0.721 466 K HN 0.259 nan 8.250 nan 0.000 0.440 467 T N 3.448 117.949 114.554 -0.088 0.000 3.281 467 T HA 0.305 4.659 4.350 0.006 0.000 0.359 467 T C -2.646 171.890 174.700 -0.272 0.000 1.459 467 T CA -1.531 60.497 62.100 -0.120 0.000 1.114 467 T CB 0.887 69.716 68.868 -0.066 0.000 1.162 467 T HN -0.080 nan 8.240 nan 0.000 0.665 468 P HA 0.186 nan 4.420 nan 0.000 0.267 468 P C 0.272 177.357 177.300 -0.359 0.000 1.205 468 P CA -0.048 62.692 63.100 -0.600 0.000 0.765 468 P CB 1.060 32.597 31.700 -0.272 0.000 0.828 469 V N 1.107 120.837 119.914 -0.307 0.000 3.305 469 V HA 0.125 4.249 4.120 0.006 0.000 0.247 469 V C 0.510 176.708 176.094 0.175 0.000 1.426 469 V CA 0.574 62.894 62.300 0.032 0.000 1.162 469 V CB 0.896 32.769 31.823 0.083 0.000 0.961 469 V HN 0.517 nan 8.190 nan 0.000 0.449 470 S N 0.657 116.598 115.700 0.401 0.000 2.557 470 S HA 0.286 4.759 4.470 0.006 0.000 0.291 470 S C 0.607 175.319 174.600 0.187 0.000 1.116 470 S CA -0.203 58.132 58.200 0.225 0.000 0.992 470 S CB 1.621 64.907 63.200 0.145 0.000 1.028 470 S HN 0.543 nan 8.310 nan 0.000 0.484 471 D N 4.958 125.417 120.400 0.099 0.000 2.144 471 D HA -0.170 4.473 4.640 0.006 0.000 0.200 471 D C 1.457 177.763 176.300 0.010 0.000 0.978 471 D CA 0.921 54.958 54.000 0.062 0.000 0.833 471 D CB -0.120 40.703 40.800 0.037 0.000 0.961 471 D HN 0.545 nan 8.370 nan 0.000 0.470 472 R N 0.718 121.208 120.500 -0.017 0.000 2.070 472 R HA -0.051 4.292 4.340 0.006 0.000 0.233 472 R C 2.743 178.936 176.300 -0.178 0.000 1.137 472 R CA 1.209 57.259 56.100 -0.084 0.000 0.945 472 R CB -0.710 29.551 30.300 -0.065 0.000 0.845 472 R HN 0.069 nan 8.270 nan 0.000 0.430 473 V N 0.792 120.595 119.914 -0.186 0.000 2.392 473 V HA -0.266 3.858 4.120 0.006 0.000 0.249 473 V C 2.045 177.974 176.094 -0.274 0.000 1.059 473 V CA 2.294 64.408 62.300 -0.310 0.000 1.051 473 V CB -0.640 30.867 31.823 -0.528 0.000 0.658 473 V HN 0.461 nan 8.190 nan 0.000 0.455 474 T N -0.436 114.048 114.554 -0.116 0.000 2.867 474 T HA -0.189 4.164 4.350 0.006 0.000 0.268 474 T C 1.940 176.615 174.700 -0.043 0.000 1.057 474 T CA 1.625 63.739 62.100 0.023 0.000 1.136 474 T CB -0.173 68.775 68.868 0.135 0.000 0.874 474 T HN 0.436 nan 8.240 nan 0.000 0.466 475 K N 1.060 121.406 120.400 -0.089 0.000 2.026 475 K HA -0.060 4.263 4.320 0.006 0.000 0.208 475 K C 2.250 178.752 176.600 -0.164 0.000 1.048 475 K CA 1.554 57.779 56.287 -0.103 0.000 0.929 475 K CB -0.928 31.507 32.500 -0.109 0.000 0.713 475 K HN 0.329 nan 8.250 nan 0.000 0.439 476 c N -0.224 118.179 118.600 -0.328 0.000 2.457 476 c HA -0.014 4.559 4.570 0.006 0.000 0.278 476 c C 2.813 176.760 174.090 -0.238 0.000 1.309 476 c CA 0.520 56.557 56.329 -0.486 0.000 1.735 476 c CB -0.991 40.723 42.510 -1.326 0.000 1.992 476 c HN 0.670 nan 8.230 nan 0.000 0.493 477 c N 1.092 119.617 118.600 -0.125 0.000 2.435 477 c HA -0.074 4.499 4.570 0.006 0.000 0.279 477 c C 2.716 176.848 174.090 0.069 0.000 1.321 477 c CA 1.956 58.325 56.329 0.066 0.000 1.752 477 c CB -1.531 41.040 42.510 0.101 0.000 1.959 477 c HN 0.814 nan 8.230 nan 0.000 0.500 478 T N -1.795 112.779 114.554 0.034 0.000 3.086 478 T HA 0.080 4.434 4.350 0.006 0.000 0.250 478 T C 0.285 175.031 174.700 0.077 0.000 1.074 478 T CA 0.164 62.295 62.100 0.053 0.000 0.988 478 T CB 0.017 68.902 68.868 0.027 0.000 0.988 478 T HN 0.483 nan 8.240 nan 0.000 0.530 479 E N 3.014 123.243 120.200 0.048 0.000 2.416 479 E HA 0.282 4.635 4.350 0.006 0.000 0.254 479 E C 0.186 176.856 176.600 0.117 0.000 1.241 479 E CA -0.178 56.250 56.400 0.046 0.000 0.969 479 E CB 0.550 30.234 29.700 -0.027 0.000 0.999 479 E HN 0.436 nan 8.360 nan 0.000 0.481 480 S N 0.301 116.040 115.700 0.065 0.000 2.562 480 S HA 0.149 4.623 4.470 0.006 0.000 0.281 480 S C 1.815 176.311 174.600 -0.173 0.000 1.333 480 S CA -0.082 58.106 58.200 -0.020 0.000 1.052 480 S CB 0.526 63.693 63.200 -0.056 0.000 0.884 480 S HN 0.822 nan 8.310 nan 0.000 0.506 481 L N 3.072 123.979 121.223 -0.526 0.000 2.137 481 L HA -0.049 4.295 4.340 0.006 0.000 0.213 481 L C 2.668 179.415 176.870 -0.205 0.000 1.085 481 L CA 2.355 56.957 54.840 -0.397 0.000 0.760 481 L CB -1.924 39.737 42.059 -0.663 0.000 0.893 481 L HN 0.830 nan 8.230 nan 0.000 0.434 482 V N -0.203 119.590 119.914 -0.202 0.000 2.871 482 V HA -0.143 3.980 4.120 0.006 0.000 0.256 482 V C 2.137 178.185 176.094 -0.077 0.000 1.082 482 V CA 1.608 63.839 62.300 -0.115 0.000 1.105 482 V CB -0.618 31.140 31.823 -0.109 0.000 0.713 482 V HN 0.847 nan 8.190 nan 0.000 0.473 483 N N -0.280 118.378 118.700 -0.070 0.000 2.325 483 N HA 0.033 4.777 4.740 0.006 0.000 0.182 483 N C 1.727 177.222 175.510 -0.025 0.000 1.088 483 N CA 0.161 53.184 53.050 -0.045 0.000 0.879 483 N CB -0.157 38.304 38.487 -0.043 0.000 0.983 483 N HN 0.422 nan 8.380 nan 0.000 0.471 484 R N 1.435 121.930 120.500 -0.007 0.000 2.143 484 R HA -0.141 4.203 4.340 0.006 0.000 0.239 484 R C 2.135 178.522 176.300 0.144 0.000 1.126 484 R CA 1.616 57.752 56.100 0.059 0.000 0.927 484 R CB -0.013 30.343 30.300 0.094 0.000 0.860 484 R HN -0.010 nan 8.270 nan 0.000 0.433 485 R N 0.001 120.574 120.500 0.122 0.000 2.075 485 R HA -0.039 4.304 4.340 0.006 0.000 0.232 485 R C -0.839 175.530 176.300 0.114 0.000 1.126 485 R CA 1.534 57.722 56.100 0.147 0.000 0.963 485 R CB -1.335 29.005 30.300 0.066 0.000 0.858 485 R HN 0.306 nan 8.270 nan 0.000 0.435 486 P HA -0.098 nan 4.420 nan 0.000 0.218 486 P C 1.594 178.903 177.300 0.016 0.000 1.149 486 P CA 0.865 63.979 63.100 0.023 0.000 0.817 486 P CB -0.248 31.446 31.700 -0.010 0.000 0.785 487 c N -1.918 116.672 118.600 -0.018 0.000 2.429 487 c HA -0.121 4.453 4.570 0.006 0.000 0.277 487 c C 2.349 176.361 174.090 -0.130 0.000 1.262 487 c CA 0.702 56.964 56.329 -0.111 0.000 1.733 487 c CB -2.094 40.287 42.510 -0.214 0.000 2.010 487 c HN 0.067 nan 8.230 nan 0.000 0.483 488 F N 1.284 121.220 119.950 -0.023 0.000 2.259 488 F HA -0.020 4.512 4.527 0.007 0.000 0.298 488 F C 2.749 178.557 175.800 0.013 0.000 1.088 488 F CA 1.746 59.732 58.000 -0.024 0.000 1.358 488 F CB -0.602 38.364 39.000 -0.057 0.000 1.040 488 F HN 0.118 nan 8.300 nan 0.000 0.505 489 S N -0.268 115.549 115.700 0.196 0.000 2.419 489 S HA -0.119 4.355 4.470 0.006 0.000 0.233 489 S C 2.155 176.811 174.600 0.094 0.000 1.016 489 S CA 0.936 59.220 58.200 0.140 0.000 0.974 489 S CB -0.491 62.765 63.200 0.094 0.000 0.786 489 S HN 0.332 nan 8.310 nan 0.000 0.492 490 A N 0.682 123.536 122.820 0.056 0.000 2.238 490 A HA 0.307 4.630 4.320 0.006 0.000 0.208 490 A C 0.726 178.325 177.584 0.025 0.000 1.177 490 A CA 0.030 52.082 52.037 0.026 0.000 0.804 490 A CB -0.354 18.644 19.000 -0.004 0.000 0.823 490 A HN 0.392 nan 8.150 nan 0.000 0.482 491 L N 0.892 122.145 121.223 0.049 0.000 2.483 491 L HA 0.225 4.569 4.340 0.006 0.000 0.276 491 L C -0.041 176.859 176.870 0.050 0.000 1.213 491 L CA -0.165 54.703 54.840 0.047 0.000 0.843 491 L CB 0.402 42.517 42.059 0.094 0.000 1.107 491 L HN 0.349 nan 8.230 nan 0.000 0.487 492 E N 0.839 121.059 120.200 0.034 0.000 2.359 492 E HA 0.435 4.789 4.350 0.006 0.000 0.266 492 E C -0.895 175.719 176.600 0.023 0.000 0.920 492 E CA -1.006 55.409 56.400 0.025 0.000 0.788 492 E CB 0.934 30.643 29.700 0.017 0.000 1.279 492 E HN 0.117 nan 8.360 nan 0.000 0.438 493 V N 1.729 121.651 119.914 0.014 0.000 2.681 493 V HA -0.073 4.050 4.120 0.006 0.000 0.306 493 V C 0.301 176.410 176.094 0.024 0.000 1.077 493 V CA 0.522 62.829 62.300 0.012 0.000 1.224 493 V CB 0.071 31.899 31.823 0.008 0.000 0.879 493 V HN 0.641 nan 8.190 nan 0.000 0.494 494 D N 4.029 124.445 120.400 0.026 0.000 2.343 494 D HA 0.118 4.762 4.640 0.006 0.000 0.255 494 D C 0.830 177.184 176.300 0.089 0.000 1.187 494 D CA 0.007 54.039 54.000 0.052 0.000 0.875 494 D CB 1.202 42.029 40.800 0.044 0.000 1.136 494 D HN 0.688 nan 8.370 nan 0.000 0.469 495 E N 1.826 122.073 120.200 0.079 0.000 2.307 495 E HA 0.012 4.365 4.350 0.006 0.000 0.195 495 E C 1.732 178.383 176.600 0.085 0.000 0.975 495 E CA 0.744 57.190 56.400 0.076 0.000 0.878 495 E CB 0.220 29.947 29.700 0.045 0.000 0.845 495 E HN 0.690 nan 8.360 nan 0.000 0.488 496 T N 0.537 115.145 114.554 0.090 0.000 2.962 496 T HA -0.152 4.202 4.350 0.006 0.000 0.270 496 T C 0.658 175.421 174.700 0.105 0.000 1.088 496 T CA 0.588 62.735 62.100 0.078 0.000 1.127 496 T CB -0.458 68.453 68.868 0.072 0.000 0.883 496 T HN 0.022 nan 8.240 nan 0.000 0.493 497 Y N 2.226 122.538 120.300 0.020 0.000 2.717 497 Y HA 0.346 4.899 4.550 0.005 0.000 0.330 497 Y C -0.213 175.700 175.900 0.021 0.000 1.217 497 Y CA -0.887 57.227 58.100 0.024 0.000 1.506 497 Y CB 0.479 38.956 38.460 0.028 0.000 1.268 497 Y HN 0.008 nan 8.280 nan 0.000 0.561 498 V N 9.139 128.597 119.914 -0.760 0.000 2.347 498 V HA 0.295 4.419 4.120 0.006 0.000 0.280 498 V C -2.019 173.526 176.094 -0.915 0.000 1.021 498 V CA -2.240 59.700 62.300 -0.601 0.000 0.847 498 V CB 0.874 32.514 31.823 -0.304 0.000 0.990 498 V HN 0.757 nan 8.190 nan 0.000 0.444 499 P HA -0.052 nan 4.420 nan 0.000 0.265 499 P C -0.216 177.053 177.300 -0.052 0.000 1.167 499 P CA 0.261 63.251 63.100 -0.184 0.000 0.760 499 P CB 0.487 32.144 31.700 -0.072 0.000 0.783 500 K N 2.432 122.926 120.400 0.158 0.000 2.298 500 K HA 0.082 4.406 4.320 0.006 0.000 0.280 500 K C 0.301 177.076 176.600 0.291 0.000 1.032 500 K CA -0.395 56.011 56.287 0.198 0.000 0.958 500 K CB 0.396 33.042 32.500 0.245 0.000 0.978 500 K HN 0.327 nan 8.250 nan 0.000 0.472 501 E N 3.029 123.340 120.200 0.185 0.000 2.392 501 E HA -0.050 4.304 4.350 0.006 0.000 0.264 501 E C -1.058 175.632 176.600 0.150 0.000 1.024 501 E CA -0.047 56.478 56.400 0.208 0.000 0.903 501 E CB 0.244 30.017 29.700 0.122 0.000 0.963 501 E HN 0.369 nan 8.360 nan 0.000 0.432 502 F N 4.980 124.928 119.950 -0.004 0.000 2.602 502 F HA 0.078 4.608 4.527 0.005 0.000 0.385 502 F C 0.110 175.870 175.800 -0.066 0.000 1.063 502 F CA 0.399 58.249 58.000 -0.251 0.000 1.233 502 F CB 0.301 39.191 39.000 -0.182 0.000 1.067 502 F HN 0.344 nan 8.300 nan 0.000 0.564 503 N N 5.299 123.513 118.700 -0.811 0.000 2.443 503 N HA 0.332 5.075 4.740 0.006 0.000 0.269 503 N C 0.406 175.432 175.510 -0.806 0.000 0.985 503 N CA 0.237 52.957 53.050 -0.551 0.000 0.921 503 N CB 1.750 40.024 38.487 -0.355 0.000 1.195 503 N HN 0.800 nan 8.380 nan 0.000 0.492 504 A N 4.358 126.948 122.820 -0.383 0.000 1.859 504 A HA -0.216 4.107 4.320 0.006 0.000 0.217 504 A C 1.704 179.224 177.584 -0.108 0.000 1.198 504 A CA 1.748 53.746 52.037 -0.066 0.000 0.629 504 A CB -0.624 18.483 19.000 0.179 0.000 0.830 504 A HN 0.862 nan 8.150 nan 0.000 0.446 505 E N -0.962 119.163 120.200 -0.124 0.000 2.055 505 E HA -0.233 4.120 4.350 0.006 0.000 0.209 505 E C 2.004 178.453 176.600 -0.252 0.000 1.036 505 E CA 1.932 58.254 56.400 -0.130 0.000 0.849 505 E CB -0.798 28.825 29.700 -0.128 0.000 0.767 505 E HN 0.597 nan 8.360 nan 0.000 0.461 506 T N 0.430 114.735 114.554 -0.416 0.000 2.795 506 T HA -0.210 4.144 4.350 0.006 0.000 0.266 506 T C 0.942 175.118 174.700 -0.874 0.000 1.056 506 T CA 1.440 63.126 62.100 -0.689 0.000 1.141 506 T CB -0.270 68.042 68.868 -0.926 0.000 0.840 506 T HN 0.103 nan 8.240 nan 0.000 0.493 507 F N 0.613 120.458 119.950 -0.175 0.000 2.668 507 F HA 0.299 4.829 4.527 0.005 0.000 0.301 507 F C 0.820 176.721 175.800 0.170 0.000 1.106 507 F CA -0.643 57.380 58.000 0.038 0.000 1.289 507 F CB -0.011 39.038 39.000 0.082 0.000 1.006 507 F HN -0.153 nan 8.300 nan 0.000 0.535 508 T N 1.298 115.859 114.554 0.012 0.000 2.845 508 T HA 0.495 4.848 4.350 0.006 0.000 0.288 508 T C -0.781 173.838 174.700 -0.134 0.000 0.980 508 T CA 0.096 62.244 62.100 0.080 0.000 1.071 508 T CB 0.801 69.673 68.868 0.006 0.000 0.941 508 T HN -0.159 nan 8.240 nan 0.000 0.487 509 F N 1.419 121.496 119.950 0.211 0.000 2.556 509 F HA 0.451 4.981 4.527 0.005 0.000 0.314 509 F C 0.250 176.050 175.800 0.000 0.000 1.106 509 F CA -1.013 57.161 58.000 0.291 0.000 0.911 509 F CB 1.646 41.056 39.000 0.684 0.000 1.190 509 F HN 0.571 nan 8.300 nan 0.000 0.448 510 H N 0.320 119.449 119.070 0.097 0.000 2.567 510 H HA 0.571 5.130 4.556 0.006 0.000 0.345 510 H C 0.612 175.481 175.328 -0.766 0.000 1.169 510 H CA -0.447 55.457 56.048 -0.239 0.000 1.227 510 H CB 1.575 31.266 29.762 -0.119 0.000 1.607 510 H HN 0.703 nan 8.280 nan 0.000 0.534 511 A N 1.161 123.477 122.820 -0.839 0.000 2.234 511 A HA -0.201 4.122 4.320 0.006 0.000 0.216 511 A C 1.676 179.042 177.584 -0.364 0.000 1.167 511 A CA 1.560 53.075 52.037 -0.870 0.000 0.698 511 A CB -0.744 18.010 19.000 -0.409 0.000 0.779 511 A HN 0.913 nan 8.150 nan 0.000 0.475 512 D N 0.839 121.118 120.400 -0.202 0.000 2.182 512 D HA -0.209 4.434 4.640 0.006 0.000 0.201 512 D C 1.885 178.153 176.300 -0.054 0.000 0.986 512 D CA 2.037 55.982 54.000 -0.092 0.000 0.847 512 D CB -1.183 39.582 40.800 -0.058 0.000 0.942 512 D HN 0.644 nan 8.370 nan 0.000 0.467 513 I N -0.176 120.371 120.570 -0.039 0.000 2.335 513 I HA -0.239 3.935 4.170 0.006 0.000 0.251 513 I C 2.814 178.948 176.117 0.028 0.000 1.129 513 I CA 0.621 61.956 61.300 0.057 0.000 1.402 513 I CB -2.155 35.956 38.000 0.185 0.000 1.069 513 I HN 0.260 nan 8.210 nan 0.000 0.424 514 c N 0.628 119.215 118.600 -0.021 0.000 2.413 514 c HA -0.159 4.415 4.570 0.006 0.000 0.276 514 c C 2.983 177.070 174.090 -0.006 0.000 1.248 514 c CA 1.929 58.257 56.329 -0.001 0.000 1.742 514 c CB -1.898 40.605 42.510 -0.012 0.000 2.017 514 c HN 0.752 nan 8.230 nan 0.000 0.481 515 T N 0.099 114.642 114.554 -0.017 0.000 3.148 515 T HA 0.189 4.542 4.350 0.006 0.000 0.253 515 T C 0.462 175.161 174.700 -0.002 0.000 1.134 515 T CA 0.133 62.226 62.100 -0.011 0.000 1.051 515 T CB -0.314 68.543 68.868 -0.018 0.000 0.959 515 T HN 0.317 nan 8.240 nan 0.000 0.525 516 L N 2.432 123.659 121.223 0.007 0.000 2.453 516 L HA 0.346 4.690 4.340 0.006 0.000 0.261 516 L C 0.961 177.840 176.870 0.016 0.000 1.179 516 L CA -0.817 54.034 54.840 0.018 0.000 0.813 516 L CB 0.954 43.035 42.059 0.037 0.000 1.110 516 L HN 0.253 nan 8.230 nan 0.000 0.466 517 S N 0.228 115.938 115.700 0.017 0.000 2.593 517 S HA 0.058 4.532 4.470 0.006 0.000 0.269 517 S C 0.903 175.509 174.600 0.010 0.000 1.334 517 S CA -0.714 57.493 58.200 0.012 0.000 1.015 517 S CB 1.300 64.509 63.200 0.015 0.000 0.912 517 S HN 0.586 nan 8.310 nan 0.000 0.541 518 E N 1.471 121.669 120.200 -0.004 0.000 2.086 518 E HA -0.240 4.114 4.350 0.006 0.000 0.205 518 E C 1.833 178.429 176.600 -0.006 0.000 1.027 518 E CA 1.859 58.245 56.400 -0.023 0.000 0.830 518 E CB -0.421 29.261 29.700 -0.031 0.000 0.751 518 E HN 0.860 nan 8.360 nan 0.000 0.456 519 K N 0.301 120.713 120.400 0.019 0.000 2.097 519 K HA -0.163 4.161 4.320 0.006 0.000 0.206 519 K C 1.920 178.557 176.600 0.062 0.000 1.049 519 K CA 1.324 57.639 56.287 0.047 0.000 0.933 519 K CB 0.109 32.638 32.500 0.048 0.000 0.717 519 K HN -0.029 nan 8.250 nan 0.000 0.442 520 E N 0.695 120.926 120.200 0.052 0.000 2.072 520 E HA -0.165 4.188 4.350 0.006 0.000 0.191 520 E C 2.136 178.791 176.600 0.092 0.000 0.985 520 E CA 1.139 57.578 56.400 0.065 0.000 0.801 520 E CB -0.083 29.647 29.700 0.050 0.000 0.750 520 E HN 0.363 nan 8.360 nan 0.000 0.452 521 R N 0.761 121.309 120.500 0.079 0.000 2.070 521 R HA -0.142 4.202 4.340 0.006 0.000 0.233 521 R C 2.577 178.969 176.300 0.154 0.000 1.137 521 R CA 1.491 57.657 56.100 0.110 0.000 0.945 521 R CB -0.395 29.937 30.300 0.053 0.000 0.845 521 R HN 0.269 nan 8.270 nan 0.000 0.430 522 Q N 0.669 120.535 119.800 0.110 0.000 1.967 522 Q HA -0.209 4.134 4.340 0.006 0.000 0.210 522 Q C 2.264 178.429 176.000 0.275 0.000 1.005 522 Q CA 1.890 57.831 55.803 0.232 0.000 0.862 522 Q CB -0.394 28.478 28.738 0.224 0.000 0.939 522 Q HN 0.375 nan 8.270 nan 0.000 0.417 523 I N 0.683 121.371 120.570 0.196 0.000 2.315 523 I HA -0.287 3.886 4.170 0.006 0.000 0.251 523 I C 2.353 178.569 176.117 0.165 0.000 1.125 523 I CA 0.908 62.303 61.300 0.158 0.000 1.392 523 I CB -0.345 37.722 38.000 0.112 0.000 1.065 523 I HN 0.148 nan 8.210 nan 0.000 0.424 524 K N 1.322 121.838 120.400 0.192 0.000 2.057 524 K HA -0.121 4.203 4.320 0.006 0.000 0.206 524 K C 2.034 178.831 176.600 0.328 0.000 1.050 524 K CA 1.425 57.854 56.287 0.236 0.000 0.935 524 K CB -0.159 32.503 32.500 0.271 0.000 0.715 524 K HN 0.392 nan 8.250 nan 0.000 0.439 525 K N 0.595 121.205 120.400 0.351 0.000 2.031 525 K HA -0.066 4.257 4.320 0.006 0.000 0.205 525 K C 2.247 178.984 176.600 0.228 0.000 1.049 525 K CA 0.947 57.450 56.287 0.360 0.000 0.939 525 K CB -0.088 32.668 32.500 0.427 0.000 0.717 525 K HN 0.172 nan 8.250 nan 0.000 0.438 526 Q N 0.382 120.310 119.800 0.215 0.000 2.181 526 Q HA -0.140 4.203 4.340 0.006 0.000 0.205 526 Q C 1.959 178.016 176.000 0.095 0.000 0.980 526 Q CA 1.694 57.573 55.803 0.127 0.000 0.862 526 Q CB -0.273 28.536 28.738 0.118 0.000 0.905 526 Q HN 0.316 nan 8.270 nan 0.000 0.429 527 T N 0.712 115.330 114.554 0.107 0.000 2.821 527 T HA -0.080 4.273 4.350 0.006 0.000 0.267 527 T C 1.895 176.629 174.700 0.056 0.000 1.046 527 T CA 1.119 63.258 62.100 0.065 0.000 1.139 527 T CB -0.154 68.744 68.868 0.050 0.000 0.871 527 T HN 0.392 nan 8.240 nan 0.000 0.454 528 A N 1.223 124.108 122.820 0.108 0.000 1.929 528 A HA 0.063 4.387 4.320 0.006 0.000 0.216 528 A C 2.184 179.879 177.584 0.184 0.000 1.176 528 A CA 0.908 53.029 52.037 0.141 0.000 0.628 528 A CB -0.675 18.508 19.000 0.305 0.000 0.816 528 A HN 0.389 nan 8.150 nan 0.000 0.444 529 L N 0.090 121.374 121.223 0.102 0.000 2.017 529 L HA -0.115 4.229 4.340 0.006 0.000 0.208 529 L C 2.367 179.288 176.870 0.085 0.000 1.073 529 L CA 1.974 56.856 54.840 0.071 0.000 0.745 529 L CB -0.633 41.445 42.059 0.032 0.000 0.894 529 L HN 0.159 nan 8.230 nan 0.000 0.432 530 V N -0.382 119.575 119.914 0.071 0.000 2.358 530 V HA -0.202 3.921 4.120 0.006 0.000 0.246 530 V C 2.626 178.778 176.094 0.096 0.000 1.047 530 V CA 1.637 63.972 62.300 0.060 0.000 1.035 530 V CB -0.698 31.147 31.823 0.037 0.000 0.658 530 V HN 0.427 nan 8.190 nan 0.000 0.452 531 E N -0.115 120.152 120.200 0.111 0.000 2.153 531 E HA -0.185 4.168 4.350 0.006 0.000 0.194 531 E C 2.046 178.874 176.600 0.379 0.000 0.988 531 E CA 0.939 57.425 56.400 0.144 0.000 0.811 531 E CB -0.346 29.310 29.700 -0.073 0.000 0.746 531 E HN 0.455 nan 8.360 nan 0.000 0.466 532 L N 0.497 121.967 121.223 0.411 0.000 1.988 532 L HA -0.129 4.214 4.340 0.006 0.000 0.207 532 L C 2.282 179.278 176.870 0.211 0.000 1.071 532 L CA 1.448 56.475 54.840 0.312 0.000 0.744 532 L CB -0.852 41.288 42.059 0.134 0.000 0.893 532 L HN -0.103 nan 8.230 nan 0.000 0.433 533 V N -0.046 119.949 119.914 0.136 0.000 2.469 533 V HA -0.295 3.829 4.120 0.006 0.000 0.251 533 V C 2.541 178.711 176.094 0.128 0.000 1.064 533 V CA 1.934 64.287 62.300 0.089 0.000 1.066 533 V CB -0.822 31.023 31.823 0.036 0.000 0.667 533 V HN 0.469 nan 8.190 nan 0.000 0.461 534 K N -0.896 119.606 120.400 0.170 0.000 2.365 534 K HA -0.145 4.179 4.320 0.006 0.000 0.199 534 K C 2.059 178.875 176.600 0.359 0.000 1.045 534 K CA 1.099 57.526 56.287 0.235 0.000 0.962 534 K CB -0.108 32.511 32.500 0.198 0.000 0.759 534 K HN 0.589 nan 8.250 nan 0.000 0.469 535 H N 0.409 119.606 119.070 0.212 0.000 2.516 535 H HA 0.160 4.719 4.556 0.006 0.000 0.284 535 H C -0.035 175.379 175.328 0.143 0.000 0.999 535 H CA 0.734 56.899 56.048 0.195 0.000 1.303 535 H CB 0.696 30.600 29.762 0.236 0.000 1.452 535 H HN -0.247 nan 8.280 nan 0.000 0.530 536 K N 1.587 121.982 120.400 -0.008 0.000 2.954 536 K HA 0.184 4.507 4.320 0.006 0.000 0.171 536 K C -2.298 174.308 176.600 0.010 0.000 1.079 536 K CA -1.520 54.715 56.287 -0.087 0.000 0.908 536 K CB 1.676 34.122 32.500 -0.091 0.000 1.142 536 K HN 0.317 nan 8.250 nan 0.000 0.613 537 P HA -0.121 nan 4.420 nan 0.000 0.218 537 P C 0.507 177.829 177.300 0.037 0.000 1.149 537 P CA 0.932 64.078 63.100 0.077 0.000 0.817 537 P CB 0.404 32.212 31.700 0.181 0.000 0.785 538 K N -0.231 120.182 120.400 0.021 0.000 2.505 538 K HA 0.250 4.573 4.320 0.006 0.000 0.192 538 K C 0.957 177.552 176.600 -0.008 0.000 1.025 538 K CA -0.283 56.008 56.287 0.006 0.000 1.086 538 K CB -0.027 32.473 32.500 0.001 0.000 0.840 538 K HN 0.092 nan 8.250 nan 0.000 0.514 539 A N 1.340 124.153 122.820 -0.012 0.000 2.445 539 A HA 0.135 4.458 4.320 0.006 0.000 0.242 539 A C 0.266 177.841 177.584 -0.016 0.000 1.075 539 A CA 0.106 52.132 52.037 -0.018 0.000 0.777 539 A CB 0.323 19.312 19.000 -0.020 0.000 1.013 539 A HN 0.085 nan 8.150 nan 0.000 0.493 540 T N 1.630 116.174 114.554 -0.017 0.000 2.913 540 T HA 0.207 4.560 4.350 0.006 0.000 0.287 540 T C 1.422 176.112 174.700 -0.018 0.000 1.008 540 T CA -0.449 61.641 62.100 -0.016 0.000 1.067 540 T CB 1.115 69.974 68.868 -0.014 0.000 0.996 540 T HN 0.679 nan 8.240 nan 0.000 0.513 541 K N 1.242 121.630 120.400 -0.019 0.000 2.074 541 K HA -0.163 4.161 4.320 0.006 0.000 0.209 541 K C 2.451 179.043 176.600 -0.014 0.000 1.048 541 K CA 1.541 57.816 56.287 -0.020 0.000 0.926 541 K CB -0.008 32.480 32.500 -0.020 0.000 0.713 541 K HN 0.421 nan 8.250 nan 0.000 0.444 542 E N 0.865 121.058 120.200 -0.011 0.000 2.023 542 E HA -0.224 4.130 4.350 0.006 0.000 0.196 542 E C 2.061 178.655 176.600 -0.009 0.000 1.003 542 E CA 1.382 57.777 56.400 -0.008 0.000 0.809 542 E CB -0.429 29.266 29.700 -0.008 0.000 0.755 542 E HN 0.429 nan 8.360 nan 0.000 0.449 543 Q N -0.614 119.179 119.800 -0.013 0.000 2.062 543 Q HA -0.215 4.128 4.340 0.006 0.000 0.209 543 Q C 2.361 178.352 176.000 -0.015 0.000 0.996 543 Q CA 1.832 57.626 55.803 -0.015 0.000 0.859 543 Q CB -0.367 28.359 28.738 -0.019 0.000 0.920 543 Q HN 0.192 nan 8.270 nan 0.000 0.415 544 L N 0.941 122.155 121.223 -0.015 0.000 1.994 544 L HA -0.210 4.133 4.340 0.006 0.000 0.208 544 L C 2.319 179.186 176.870 -0.005 0.000 1.071 544 L CA 1.980 56.812 54.840 -0.014 0.000 0.745 544 L CB -0.814 41.235 42.059 -0.017 0.000 0.892 544 L HN 0.133 nan 8.230 nan 0.000 0.431 545 K N 0.027 120.424 120.400 -0.004 0.000 2.127 545 K HA -0.191 4.133 4.320 0.006 0.000 0.208 545 K C 1.883 178.492 176.600 0.014 0.000 1.047 545 K CA 1.869 58.159 56.287 0.006 0.000 0.927 545 K CB -0.494 32.008 32.500 0.003 0.000 0.716 545 K HN 0.272 nan 8.250 nan 0.000 0.450 546 A N 0.274 123.098 122.820 0.007 0.000 1.855 546 A HA -0.063 4.260 4.320 0.006 0.000 0.215 546 A C 2.377 179.971 177.584 0.016 0.000 1.191 546 A CA 1.733 53.775 52.037 0.009 0.000 0.613 546 A CB -0.847 18.152 19.000 -0.001 0.000 0.829 546 A HN 0.129 nan 8.150 nan 0.000 0.442 547 V N 0.012 119.930 119.914 0.008 0.000 2.255 547 V HA -0.367 3.757 4.120 0.006 0.000 0.247 547 V C 2.669 178.797 176.094 0.057 0.000 1.051 547 V CA 2.446 64.753 62.300 0.012 0.000 1.018 547 V CB -0.783 31.027 31.823 -0.021 0.000 0.641 547 V HN 0.581 nan 8.190 nan 0.000 0.445 548 M N -0.284 119.347 119.600 0.053 0.000 2.082 548 M HA -0.252 4.232 4.480 0.006 0.000 0.258 548 M C 1.997 178.386 176.300 0.149 0.000 1.069 548 M CA 2.199 57.559 55.300 0.101 0.000 1.102 548 M CB -0.684 31.956 32.600 0.067 0.000 1.336 548 M HN 0.373 nan 8.290 nan 0.000 0.404 549 D N 0.076 120.533 120.400 0.095 0.000 2.178 549 D HA -0.122 4.521 4.640 0.006 0.000 0.202 549 D C 1.421 177.770 176.300 0.081 0.000 0.974 549 D CA 1.211 55.261 54.000 0.083 0.000 0.841 549 D CB -0.417 40.413 40.800 0.050 0.000 0.953 549 D HN 0.373 nan 8.370 nan 0.000 0.478 550 D N -0.005 120.444 120.400 0.082 0.000 2.078 550 D HA -0.131 4.513 4.640 0.006 0.000 0.193 550 D C 1.705 178.072 176.300 0.112 0.000 0.990 550 D CA 0.522 54.562 54.000 0.067 0.000 0.827 550 D CB -0.391 40.432 40.800 0.040 0.000 0.975 550 D HN 0.078 nan 8.370 nan 0.000 0.451 551 F N 1.487 121.436 119.950 -0.001 0.000 2.065 551 F HA -0.260 4.270 4.527 0.006 0.000 0.298 551 F C 2.151 178.006 175.800 0.091 0.000 1.112 551 F CA 1.819 59.843 58.000 0.040 0.000 1.212 551 F CB -0.682 38.308 39.000 -0.017 0.000 0.975 551 F HN -0.028 nan 8.300 nan 0.000 0.476 552 A N 0.621 123.528 122.820 0.146 0.000 1.894 552 A HA -0.313 4.010 4.320 0.006 0.000 0.220 552 A C 2.468 179.991 177.584 -0.101 0.000 1.237 552 A CA 3.088 55.144 52.037 0.032 0.000 0.660 552 A CB -1.811 17.247 19.000 0.096 0.000 0.835 552 A HN 0.640 nan 8.150 nan 0.000 0.461 553 A N -1.356 121.433 122.820 -0.052 0.000 1.845 553 A HA -0.035 4.288 4.320 0.006 0.000 0.215 553 A C 2.106 179.595 177.584 -0.157 0.000 1.195 553 A CA 1.756 53.746 52.037 -0.080 0.000 0.616 553 A CB -0.978 18.004 19.000 -0.030 0.000 0.832 553 A HN 1.085 nan 8.150 nan 0.000 0.443 554 F N 0.937 120.709 119.950 -0.298 0.000 2.135 554 F HA -0.279 4.252 4.527 0.006 0.000 0.300 554 F C 1.965 177.408 175.800 -0.596 0.000 1.074 554 F CA 2.281 60.035 58.000 -0.409 0.000 1.262 554 F CB -0.344 38.414 39.000 -0.403 0.000 1.013 554 F HN 0.045 nan 8.300 nan 0.000 0.489 555 V N 0.541 119.922 119.914 -0.889 0.000 2.307 555 V HA -0.234 3.889 4.120 0.006 0.000 0.245 555 V C 2.848 178.639 176.094 -0.505 0.000 1.045 555 V CA 2.490 64.260 62.300 -0.884 0.000 1.024 555 V CB -1.527 29.934 31.823 -0.602 0.000 0.651 555 V HN 0.584 nan 8.190 nan 0.000 0.449 556 E N 0.466 120.469 120.200 -0.328 0.000 2.047 556 E HA -0.221 4.132 4.350 0.006 0.000 0.191 556 E C 2.216 178.696 176.600 -0.201 0.000 0.987 556 E CA 1.728 58.011 56.400 -0.195 0.000 0.799 556 E CB -0.862 28.760 29.700 -0.130 0.000 0.752 556 E HN 0.690 nan 8.360 nan 0.000 0.449 557 K N -0.525 119.733 120.400 -0.237 0.000 2.574 557 K HA 0.186 4.509 4.320 0.006 0.000 0.193 557 K C 1.884 178.335 176.600 -0.247 0.000 1.035 557 K CA 1.056 57.227 56.287 -0.193 0.000 0.982 557 K CB -1.327 nan 32.500 nan 0.000 0.795 557 K HN 0.536 nan 8.250 nan 0.000 0.491 558 c N -2.595 115.778 118.600 -0.377 0.000 3.449 558 c HA 0.177 4.750 4.570 0.006 0.000 0.404 558 c C 2.387 176.471 174.090 -0.010 0.000 1.383 558 c CA -0.033 56.083 56.329 -0.355 0.000 1.936 558 c CB -0.306 41.533 42.510 -1.117 0.000 2.738 558 c HN 0.778 nan 8.230 nan 0.000 0.663 559 c N 0.718 119.311 118.600 -0.011 0.000 2.533 559 c HA 0.138 4.711 4.570 0.006 0.000 0.272 559 c C 2.350 176.447 174.090 0.013 0.000 1.371 559 c CA 1.304 57.677 56.329 0.073 0.000 1.758 559 c CB -1.042 41.498 42.510 0.050 0.000 1.972 559 c HN 0.662 nan 8.230 nan 0.000 0.522 560 K N -0.002 120.382 120.400 -0.027 0.000 2.570 560 K HA 0.728 5.052 4.320 0.006 0.000 0.210 560 K C 0.150 176.736 176.600 -0.022 0.000 1.048 560 K CA 0.680 56.952 56.287 -0.025 0.000 1.167 560 K CB -0.216 32.261 32.500 -0.038 0.000 0.892 560 K HN 0.520 nan 8.250 nan 0.000 0.480 561 A N 0.405 123.218 122.820 -0.011 0.000 2.354 561 A HA 0.627 4.950 4.320 0.006 0.000 0.321 561 A C 0.019 177.612 177.584 0.014 0.000 1.125 561 A CA -0.420 51.613 52.037 -0.006 0.000 0.799 561 A CB 0.818 19.806 19.000 -0.020 0.000 1.293 561 A HN 0.211 nan 8.150 nan 0.000 0.452 562 D N 0.571 120.978 120.400 0.012 0.000 2.144 562 D HA -0.155 4.488 4.640 0.006 0.000 0.247 562 D C 0.328 176.645 176.300 0.029 0.000 1.166 562 D CA 1.803 55.814 54.000 0.018 0.000 1.014 562 D CB -0.264 40.546 40.800 0.015 0.000 1.532 562 D HN 0.702 nan 8.370 nan 0.000 0.551 563 D N 0.685 121.106 120.400 0.035 0.000 2.545 563 D HA -0.001 4.642 4.640 0.006 0.000 0.227 563 D C 0.827 177.171 176.300 0.073 0.000 1.150 563 D CA 0.047 54.075 54.000 0.046 0.000 1.046 563 D CB 0.013 40.839 40.800 0.044 0.000 1.098 563 D HN 0.065 nan 8.370 nan 0.000 0.502 564 K N 1.381 121.830 120.400 0.081 0.000 2.049 564 K HA -0.314 4.010 4.320 0.006 0.000 0.219 564 K C 1.571 178.295 176.600 0.207 0.000 1.056 564 K CA 1.796 58.170 56.287 0.145 0.000 0.946 564 K CB -0.048 32.508 32.500 0.093 0.000 0.723 564 K HN 0.300 nan 8.250 nan 0.000 0.453 565 E N 0.489 120.756 120.200 0.112 0.000 2.097 565 E HA -0.162 4.192 4.350 0.006 0.000 0.196 565 E C 1.872 178.574 176.600 0.171 0.000 1.000 565 E CA 2.047 58.517 56.400 0.117 0.000 0.804 565 E CB -0.298 29.450 29.700 0.079 0.000 0.740 565 E HN 0.247 nan 8.360 nan 0.000 0.454 566 T N -0.369 114.267 114.554 0.136 0.000 2.777 566 T HA -0.179 4.174 4.350 0.006 0.000 0.266 566 T C 1.999 176.791 174.700 0.153 0.000 1.040 566 T CA 1.138 63.313 62.100 0.125 0.000 1.141 566 T CB -0.817 68.102 68.868 0.086 0.000 0.868 566 T HN 0.388 nan 8.240 nan 0.000 0.444 567 c N 0.963 119.654 118.600 0.153 0.000 2.367 567 c HA -0.186 4.387 4.570 0.006 0.000 0.276 567 c C 2.321 176.505 174.090 0.156 0.000 1.195 567 c CA 0.839 57.233 56.329 0.109 0.000 1.756 567 c CB -1.644 40.899 42.510 0.055 0.000 2.046 567 c HN 0.557 nan 8.230 nan 0.000 0.453 568 F N 1.468 121.451 119.950 0.055 0.000 2.216 568 F HA -0.018 4.513 4.527 0.005 0.000 0.300 568 F C 2.485 178.431 175.800 0.244 0.000 1.085 568 F CA 1.562 59.664 58.000 0.170 0.000 1.326 568 F CB -0.838 38.207 39.000 0.075 0.000 1.027 568 F HN 0.330 nan 8.300 nan 0.000 0.497 569 A N -0.006 123.003 122.820 0.314 0.000 1.872 569 A HA -0.068 4.255 4.320 0.006 0.000 0.214 569 A C 2.177 179.859 177.584 0.163 0.000 1.187 569 A CA 1.935 54.091 52.037 0.199 0.000 0.614 569 A CB -1.216 17.871 19.000 0.145 0.000 0.826 569 A HN 0.349 nan 8.150 nan 0.000 0.442 570 E N -0.251 120.037 120.200 0.147 0.000 2.033 570 E HA -0.114 4.239 4.350 0.006 0.000 0.189 570 E C 1.841 178.502 176.600 0.101 0.000 0.979 570 E CA 1.479 57.941 56.400 0.104 0.000 0.802 570 E CB -0.660 29.089 29.700 0.082 0.000 0.763 570 E HN 0.584 nan 8.360 nan 0.000 0.449 571 E N 0.311 120.599 120.200 0.146 0.000 2.110 571 E HA 0.005 4.358 4.350 0.006 0.000 0.193 571 E C 2.277 178.892 176.600 0.025 0.000 0.988 571 E CA 1.276 57.762 56.400 0.142 0.000 0.804 571 E CB -0.723 29.146 29.700 0.282 0.000 0.745 571 E HN 0.458 nan 8.360 nan 0.000 0.458 572 G N 0.538 109.420 108.800 0.137 0.000 2.422 572 G HA2 -0.293 3.671 3.960 0.006 0.000 0.218 572 G HA3 -0.293 3.671 3.960 0.006 0.000 0.218 572 G C 1.530 176.414 174.900 -0.027 0.000 1.146 572 G CA 0.842 45.899 45.100 -0.072 0.000 0.769 572 G HN 0.211 nan 8.290 nan 0.000 0.547 573 K N 0.290 120.717 120.400 0.045 0.000 2.063 573 K HA -0.074 4.249 4.320 0.006 0.000 0.208 573 K C 2.604 179.202 176.600 -0.005 0.000 1.048 573 K CA 1.250 57.561 56.287 0.041 0.000 0.928 573 K CB -0.124 32.406 32.500 0.050 0.000 0.713 573 K HN 0.240 nan 8.250 nan 0.000 0.442 574 K N 0.741 121.124 120.400 -0.029 0.000 1.985 574 K HA -0.160 4.163 4.320 0.006 0.000 0.210 574 K C 2.190 178.738 176.600 -0.087 0.000 1.047 574 K CA 1.087 57.345 56.287 -0.048 0.000 0.932 574 K CB -0.338 32.139 32.500 -0.038 0.000 0.716 574 K HN 0.011 nan 8.250 nan 0.000 0.439 575 L N 1.367 122.488 121.223 -0.169 0.000 1.963 575 L HA -0.272 4.071 4.340 0.006 0.000 0.220 575 L C 2.200 178.999 176.870 -0.117 0.000 1.076 575 L CA 1.646 56.365 54.840 -0.201 0.000 0.772 575 L CB -0.507 41.289 42.059 -0.438 0.000 0.892 575 L HN -0.041 nan 8.230 nan 0.000 0.435 576 V N 0.076 119.942 119.914 -0.079 0.000 2.324 576 V HA -0.388 3.735 4.120 0.006 0.000 0.250 576 V C 2.751 178.817 176.094 -0.047 0.000 1.060 576 V CA 1.922 64.217 62.300 -0.008 0.000 1.042 576 V CB -1.478 30.418 31.823 0.122 0.000 0.650 576 V HN 0.684 nan 8.190 nan 0.000 0.450 577 A N -0.181 122.608 122.820 -0.051 0.000 1.858 577 A HA -0.131 4.193 4.320 0.006 0.000 0.216 577 A C 2.432 179.973 177.584 -0.072 0.000 1.190 577 A CA 2.363 54.358 52.037 -0.069 0.000 0.617 577 A CB -0.889 18.082 19.000 -0.048 0.000 0.827 577 A HN 0.589 nan 8.150 nan 0.000 0.443 578 A N -0.717 122.066 122.820 -0.062 0.000 1.841 578 A HA -0.060 4.264 4.320 0.006 0.000 0.214 578 A C 2.442 179.991 177.584 -0.059 0.000 1.195 578 A CA 2.075 54.079 52.037 -0.055 0.000 0.611 578 A CB -1.139 17.831 19.000 -0.050 0.000 0.835 578 A HN 0.456 nan 8.150 nan 0.000 0.443 579 S N -0.145 115.516 115.700 -0.064 0.000 2.380 579 S HA -0.289 4.184 4.470 0.006 0.000 0.229 579 S C 2.106 176.666 174.600 -0.066 0.000 1.043 579 S CA 1.871 60.032 58.200 -0.065 0.000 1.038 579 S CB -0.446 62.707 63.200 -0.079 0.000 0.872 579 S HN 0.673 nan 8.310 nan 0.000 0.456 580 Q N 0.376 120.128 119.800 -0.080 0.000 2.124 580 Q HA -0.067 4.277 4.340 0.006 0.000 0.202 580 Q C 2.545 178.503 176.000 -0.070 0.000 0.977 580 Q CA 1.338 57.092 55.803 -0.082 0.000 0.850 580 Q CB -0.357 28.289 28.738 -0.153 0.000 0.901 580 Q HN 0.629 nan 8.270 nan 0.000 0.429 581 A N 1.135 123.914 122.820 -0.068 0.000 1.902 581 A HA -0.108 4.216 4.320 0.006 0.000 0.217 581 A C 2.285 179.842 177.584 -0.045 0.000 1.181 581 A CA 1.559 53.563 52.037 -0.055 0.000 0.623 581 A CB -0.714 nan 19.000 nan 0.000 0.818 581 A HN 0.394 nan 8.150 nan 0.000 0.443 582 A N -0.710 122.084 122.820 -0.043 0.000 2.067 582 A HA 0.121 4.445 4.320 0.006 0.000 0.219 582 A C 1.814 179.376 177.584 -0.037 0.000 1.158 582 A CA 1.256 53.271 52.037 -0.036 0.000 0.661 582 A CB -0.398 18.581 19.000 -0.034 0.000 0.801 582 A HN 0.471 nan 8.150 nan 0.000 0.452 583 L N -1.065 120.133 121.223 -0.043 0.000 2.640 583 L HA 0.287 4.631 4.340 0.006 0.000 0.230 583 L C 1.363 178.203 176.870 -0.051 0.000 1.123 583 L CA -0.013 54.800 54.840 -0.045 0.000 0.900 583 L CB -0.823 41.208 42.059 -0.047 0.000 1.146 583 L HN 0.504 nan 8.230 nan 0.000 0.484 584 G N 0.000 108.772 108.800 -0.047 0.000 5.446 584 G HA2 0.000 3.963 3.960 0.006 0.000 0.244 584 G HA3 0.000 3.963 3.960 0.006 0.000 0.244 584 G CA 0.000 45.072 45.100 -0.046 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925