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 2bx8_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.659 174.600 0.099 0.000 1.055 5 S CA 0.000 58.231 58.200 0.052 0.000 1.107 5 S CB 0.000 63.216 63.200 0.026 0.000 0.593 6 E N 2.223 122.479 120.200 0.093 0.000 2.256 6 E HA 0.245 4.534 4.350 -0.102 0.000 0.198 6 E C 1.601 178.295 176.600 0.155 0.000 0.908 6 E CA 1.242 57.722 56.400 0.133 0.000 0.915 6 E CB -0.133 29.612 29.700 0.075 0.000 0.890 6 E HN 0.451 nan 8.360 nan 0.000 0.484 7 V N 1.291 121.266 119.914 0.101 0.000 2.469 7 V HA -0.233 3.826 4.120 -0.102 0.000 0.251 7 V C 2.300 178.500 176.094 0.176 0.000 1.064 7 V CA 1.851 64.244 62.300 0.156 0.000 1.066 7 V CB -0.893 30.916 31.823 -0.022 0.000 0.667 7 V HN 0.400 nan 8.190 nan 0.000 0.461 8 A N -0.881 121.995 122.820 0.092 0.000 1.898 8 A HA -0.190 4.069 4.320 -0.102 0.000 0.214 8 A C 2.214 179.911 177.584 0.189 0.000 1.183 8 A CA 1.438 53.515 52.037 0.066 0.000 0.622 8 A CB -0.753 18.247 19.000 0.001 0.000 0.824 8 A HN 0.619 nan 8.150 nan 0.000 0.444 9 H N 0.837 119.959 119.070 0.086 0.000 2.257 9 H HA -0.159 4.336 4.556 -0.101 0.000 0.292 9 H C 2.165 177.575 175.328 0.137 0.000 1.075 9 H CA 2.277 58.381 56.048 0.094 0.000 1.212 9 H CB -0.165 29.644 29.762 0.079 0.000 1.354 9 H HN 0.256 nan 8.280 nan 0.000 0.497 10 R N -0.263 120.455 120.500 0.364 0.000 2.105 10 R HA -0.144 4.134 4.340 -0.102 0.000 0.239 10 R C 2.577 179.079 176.300 0.338 0.000 1.135 10 R CA 1.026 57.301 56.100 0.293 0.000 0.967 10 R CB -1.623 28.834 30.300 0.260 0.000 0.861 10 R HN 0.343 nan 8.270 nan 0.000 0.442 11 F N 2.202 122.258 119.950 0.177 0.000 2.069 11 F HA -0.296 4.171 4.527 -0.101 0.000 0.298 11 F C 2.796 178.605 175.800 0.015 0.000 1.113 11 F CA 2.784 60.756 58.000 -0.047 0.000 1.214 11 F CB -0.574 38.212 39.000 -0.355 0.000 0.978 11 F HN 0.133 nan 8.300 nan 0.000 0.474 12 K N 0.030 120.629 120.400 0.331 0.000 2.103 12 K HA -0.198 4.060 4.320 -0.102 0.000 0.207 12 K C 1.822 178.510 176.600 0.147 0.000 1.048 12 K CA 2.081 58.498 56.287 0.217 0.000 0.930 12 K CB -1.393 31.192 32.500 0.143 0.000 0.716 12 K HN 0.515 nan 8.250 nan 0.000 0.444 13 D N 0.136 120.635 120.400 0.166 0.000 2.103 13 D HA -0.024 4.555 4.640 -0.102 0.000 0.199 13 D C 2.039 178.393 176.300 0.091 0.000 0.978 13 D CA 1.488 55.569 54.000 0.135 0.000 0.829 13 D CB 0.120 41.026 40.800 0.177 0.000 0.981 13 D HN 0.441 nan 8.370 nan 0.000 0.464 14 L N -0.033 121.238 121.223 0.080 0.000 2.202 14 L HA 0.206 4.485 4.340 -0.102 0.000 0.205 14 L C 1.399 178.258 176.870 -0.018 0.000 1.083 14 L CA 0.472 55.338 54.840 0.042 0.000 0.790 14 L CB -0.307 41.793 42.059 0.068 0.000 0.942 14 L HN 0.080 nan 8.230 nan 0.000 0.452 15 G N 0.361 109.089 108.800 -0.120 0.000 2.661 15 G HA2 -0.259 3.640 3.960 -0.102 0.000 0.685 15 G HA3 -0.259 3.640 3.960 -0.102 0.000 0.685 15 G C 0.176 174.818 174.900 -0.429 0.000 1.298 15 G CA 0.080 45.061 45.100 -0.198 0.000 0.855 15 G HN 0.206 nan 8.290 nan 0.000 0.560 16 E N -0.394 119.603 120.200 -0.338 0.000 2.031 16 E HA -0.128 4.161 4.350 -0.102 0.000 0.193 16 E C 2.087 178.650 176.600 -0.060 0.000 0.994 16 E CA 1.847 58.088 56.400 -0.266 0.000 0.800 16 E CB -0.171 29.535 29.700 0.010 0.000 0.752 16 E HN 0.633 nan 8.360 nan 0.000 0.447 17 E N -0.028 120.167 120.200 -0.009 0.000 2.013 17 E HA -0.290 3.999 4.350 -0.102 0.000 0.202 17 E C 1.958 178.581 176.600 0.038 0.000 1.018 17 E CA 1.767 58.187 56.400 0.033 0.000 0.834 17 E CB -0.155 29.569 29.700 0.039 0.000 0.770 17 E HN 0.246 nan 8.360 nan 0.000 0.459 18 N N 0.112 118.827 118.700 0.025 0.000 2.069 18 N HA -0.192 4.486 4.740 -0.102 0.000 0.191 18 N C 1.695 177.215 175.510 0.017 0.000 1.031 18 N CA 1.238 54.302 53.050 0.024 0.000 0.852 18 N CB -0.760 37.740 38.487 0.022 0.000 1.018 18 N HN 0.231 nan 8.380 nan 0.000 0.423 19 F N 2.039 121.897 119.950 -0.153 0.000 2.091 19 F HA -0.183 4.284 4.527 -0.099 0.000 0.299 19 F C 2.141 177.906 175.800 -0.058 0.000 1.103 19 F CA 1.593 59.496 58.000 -0.161 0.000 1.228 19 F CB -0.078 38.658 39.000 -0.440 0.000 0.984 19 F HN -0.068 nan 8.300 nan 0.000 0.477 20 K N -0.128 120.377 120.400 0.174 0.000 2.097 20 K HA -0.122 4.137 4.320 -0.102 0.000 0.206 20 K C 2.269 178.883 176.600 0.023 0.000 1.049 20 K CA 1.032 57.397 56.287 0.129 0.000 0.933 20 K CB -0.432 32.156 32.500 0.147 0.000 0.717 20 K HN 0.390 nan 8.250 nan 0.000 0.442 21 A N 1.311 124.140 122.820 0.014 0.000 1.854 21 A HA -0.105 4.154 4.320 -0.102 0.000 0.214 21 A C 2.093 179.655 177.584 -0.037 0.000 1.192 21 A CA 1.019 53.061 52.037 0.007 0.000 0.611 21 A CB -0.654 18.360 19.000 0.023 0.000 0.832 21 A HN 0.152 nan 8.150 nan 0.000 0.442 22 L N -0.221 120.953 121.223 -0.082 0.000 2.043 22 L HA -0.210 4.069 4.340 -0.102 0.000 0.212 22 L C 2.467 179.268 176.870 -0.114 0.000 1.075 22 L CA 1.322 56.088 54.840 -0.123 0.000 0.752 22 L CB -0.637 41.324 42.059 -0.163 0.000 0.891 22 L HN 0.251 nan 8.230 nan 0.000 0.432 23 V N -0.300 119.548 119.914 -0.110 0.000 2.626 23 V HA -0.245 3.814 4.120 -0.102 0.000 0.252 23 V C 2.268 178.503 176.094 0.234 0.000 1.067 23 V CA 1.392 63.759 62.300 0.113 0.000 1.081 23 V CB -0.326 31.537 31.823 0.067 0.000 0.686 23 V HN 0.339 nan 8.190 nan 0.000 0.468 24 L N 0.215 121.476 121.223 0.064 0.000 2.027 24 L HA -0.057 4.222 4.340 -0.102 0.000 0.206 24 L C 2.161 179.056 176.870 0.041 0.000 1.074 24 L CA 1.873 56.747 54.840 0.057 0.000 0.745 24 L CB -0.492 41.593 42.059 0.043 0.000 0.898 24 L HN 0.213 nan 8.230 nan 0.000 0.433 25 I N -0.048 120.506 120.570 -0.027 0.000 2.286 25 I HA -0.271 3.838 4.170 -0.102 0.000 0.248 25 I C 2.578 178.602 176.117 -0.155 0.000 1.115 25 I CA 1.125 62.362 61.300 -0.106 0.000 1.392 25 I CB -0.684 37.240 38.000 -0.127 0.000 1.065 25 I HN 0.385 nan 8.210 nan 0.000 0.418 26 A N 0.591 123.329 122.820 -0.136 0.000 1.898 26 A HA -0.158 4.100 4.320 -0.102 0.000 0.216 26 A C 2.058 179.486 177.584 -0.261 0.000 1.181 26 A CA 1.401 53.259 52.037 -0.300 0.000 0.620 26 A CB -0.803 17.979 19.000 -0.365 0.000 0.819 26 A HN 0.307 nan 8.150 nan 0.000 0.442 27 F N 0.091 119.960 119.950 -0.135 0.000 2.163 27 F HA 0.005 4.470 4.527 -0.103 0.000 0.297 27 F C 2.789 178.444 175.800 -0.242 0.000 1.094 27 F CA 0.929 58.902 58.000 -0.045 0.000 1.290 27 F CB -0.523 38.517 39.000 0.066 0.000 1.017 27 F HN 0.246 nan 8.300 nan 0.000 0.483 28 A N -0.419 122.266 122.820 -0.224 0.000 1.902 28 A HA -0.228 4.030 4.320 -0.102 0.000 0.217 28 A C 2.043 179.490 177.584 -0.230 0.000 1.181 28 A CA 1.588 53.409 52.037 -0.359 0.000 0.623 28 A CB -0.781 18.065 19.000 -0.257 0.000 0.818 28 A HN 0.471 nan 8.150 nan 0.000 0.443 29 Q N -2.302 117.344 119.800 -0.255 0.000 2.488 29 Q HA -0.074 4.205 4.340 -0.102 0.000 0.211 29 Q C 1.257 177.089 176.000 -0.280 0.000 0.967 29 Q CA 0.788 56.410 55.803 -0.303 0.000 0.926 29 Q CB -0.051 28.445 28.738 -0.402 0.000 0.992 29 Q HN 0.817 nan 8.270 nan 0.000 0.506 30 Y N -0.378 119.798 120.300 -0.208 0.000 2.353 30 Y HA 0.150 4.642 4.550 -0.096 0.000 0.294 30 Y C 0.878 176.708 175.900 -0.115 0.000 1.135 30 Y CA 0.245 58.209 58.100 -0.227 0.000 1.176 30 Y CB 0.685 38.892 38.460 -0.422 0.000 1.124 30 Y HN -0.091 nan 8.280 nan 0.000 0.537 31 L N 1.474 122.791 121.223 0.158 0.000 2.504 31 L HA 0.243 4.522 4.340 -0.102 0.000 0.249 31 L C 0.717 177.721 176.870 0.223 0.000 1.120 31 L CA -0.082 54.873 54.840 0.192 0.000 0.997 31 L CB 0.796 43.015 42.059 0.266 0.000 1.349 31 L HN 0.161 nan 8.230 nan 0.000 0.439 32 Q N 0.403 120.261 119.800 0.097 0.000 2.291 32 Q HA -0.226 4.052 4.340 -0.102 0.000 0.206 32 Q C 2.404 178.449 176.000 0.075 0.000 0.976 32 Q CA 2.037 57.857 55.803 0.029 0.000 0.875 32 Q CB 0.090 28.805 28.738 -0.038 0.000 0.927 32 Q HN 0.826 nan 8.270 nan 0.000 0.450 33 Q N 0.078 119.943 119.800 0.109 0.000 2.163 33 Q HA 0.005 4.283 4.340 -0.102 0.000 0.198 33 Q C 1.335 177.428 176.000 0.155 0.000 0.954 33 Q CA 0.905 56.770 55.803 0.103 0.000 0.851 33 Q CB -0.715 28.064 28.738 0.068 0.000 0.928 33 Q HN 0.423 nan 8.270 nan 0.000 0.459 34 C N 2.038 121.441 119.300 0.171 0.000 2.597 34 C HA 0.266 4.665 4.460 -0.102 0.000 0.412 34 C C -1.896 173.215 174.990 0.201 0.000 1.348 34 C CA -0.902 58.165 59.018 0.081 0.000 1.769 34 C CB 0.444 28.107 27.740 -0.129 0.000 2.641 34 C HN 0.507 nan 8.230 nan 0.000 0.612 35 P HA 0.039 nan 4.420 nan 0.000 0.269 35 P C 0.621 177.898 177.300 -0.039 0.000 1.209 35 P CA -0.134 63.030 63.100 0.105 0.000 0.776 35 P CB 0.258 31.971 31.700 0.022 0.000 0.876 36 F N 3.912 123.592 119.950 -0.450 0.000 2.045 36 F HA -0.325 4.141 4.527 -0.103 0.000 0.297 36 F C 1.862 177.453 175.800 -0.348 0.000 1.114 36 F CA 1.994 59.481 58.000 -0.856 0.000 1.207 36 F CB -0.713 37.810 39.000 -0.794 0.000 0.964 36 F HN 0.331 nan 8.300 nan 0.000 0.486 37 E N 0.748 120.662 120.200 -0.477 0.000 2.045 37 E HA -0.302 3.987 4.350 -0.102 0.000 0.212 37 E C 1.851 178.209 176.600 -0.403 0.000 1.039 37 E CA 1.969 58.079 56.400 -0.483 0.000 0.860 37 E CB -1.408 28.165 29.700 -0.212 0.000 0.776 37 E HN 0.487 nan 8.360 nan 0.000 0.467 38 D N 0.454 120.684 120.400 -0.283 0.000 2.149 38 D HA -0.189 4.390 4.640 -0.102 0.000 0.194 38 D C 1.919 178.068 176.300 -0.251 0.000 1.001 38 D CA 1.327 55.179 54.000 -0.246 0.000 0.849 38 D CB -0.656 40.002 40.800 -0.235 0.000 0.939 38 D HN 0.345 nan 8.370 nan 0.000 0.449 39 H N 0.291 119.250 119.070 -0.185 0.000 2.321 39 H HA -0.044 4.452 4.556 -0.100 0.000 0.300 39 H C 2.505 177.652 175.328 -0.302 0.000 1.087 39 H CA 0.807 56.759 56.048 -0.161 0.000 1.319 39 H CB -0.509 29.237 29.762 -0.027 0.000 1.379 39 H HN 0.043 nan 8.280 nan 0.000 0.501 40 V N 1.289 121.027 119.914 -0.294 0.000 2.287 40 V HA -0.290 3.768 4.120 -0.102 0.000 0.248 40 V C 2.628 178.583 176.094 -0.233 0.000 1.053 40 V CA 2.150 64.255 62.300 -0.325 0.000 1.027 40 V CB -0.517 30.987 31.823 -0.533 0.000 0.646 40 V HN 0.333 nan 8.190 nan 0.000 0.447 41 K N 0.088 120.355 120.400 -0.222 0.000 1.987 41 K HA -0.220 4.039 4.320 -0.102 0.000 0.216 41 K C 2.132 178.645 176.600 -0.146 0.000 1.051 41 K CA 2.115 58.309 56.287 -0.155 0.000 0.942 41 K CB -0.374 32.045 32.500 -0.134 0.000 0.722 41 K HN 0.411 nan 8.250 nan 0.000 0.444 42 L N 0.737 121.855 121.223 -0.174 0.000 2.043 42 L HA -0.216 4.063 4.340 -0.102 0.000 0.212 42 L C 2.483 179.153 176.870 -0.332 0.000 1.075 42 L CA 1.128 55.843 54.840 -0.208 0.000 0.752 42 L CB -0.744 41.190 42.059 -0.208 0.000 0.891 42 L HN 0.108 nan 8.230 nan 0.000 0.432 43 V N 0.295 119.960 119.914 -0.415 0.000 2.287 43 V HA -0.273 3.785 4.120 -0.102 0.000 0.248 43 V C 2.334 178.367 176.094 -0.102 0.000 1.053 43 V CA 1.987 64.086 62.300 -0.334 0.000 1.027 43 V CB -0.685 30.997 31.823 -0.235 0.000 0.646 43 V HN 0.501 nan 8.190 nan 0.000 0.447 44 N N 0.123 118.777 118.700 -0.077 0.000 2.106 44 N HA -0.153 4.526 4.740 -0.102 0.000 0.188 44 N C 1.833 177.353 175.510 0.017 0.000 1.029 44 N CA 1.465 54.511 53.050 -0.007 0.000 0.848 44 N CB -0.329 38.143 38.487 -0.026 0.000 1.007 44 N HN 0.600 nan 8.380 nan 0.000 0.423 45 E N 0.546 120.739 120.200 -0.012 0.000 2.130 45 E HA -0.124 4.165 4.350 -0.102 0.000 0.196 45 E C 1.950 178.600 176.600 0.085 0.000 0.998 45 E CA 0.924 57.336 56.400 0.021 0.000 0.806 45 E CB -0.006 29.696 29.700 0.003 0.000 0.738 45 E HN 0.097 nan 8.360 nan 0.000 0.459 46 V N 1.175 121.127 119.914 0.063 0.000 2.427 46 V HA -0.205 3.853 4.120 -0.102 0.000 0.248 46 V C 2.269 178.484 176.094 0.202 0.000 1.051 46 V CA 2.087 64.452 62.300 0.108 0.000 1.048 46 V CB -0.591 31.234 31.823 0.004 0.000 0.666 46 V HN 0.346 nan 8.190 nan 0.000 0.456 47 T N -0.247 114.440 114.554 0.223 0.000 2.821 47 T HA -0.115 4.174 4.350 -0.102 0.000 0.267 47 T C 2.150 176.943 174.700 0.156 0.000 1.046 47 T CA 1.610 63.888 62.100 0.297 0.000 1.139 47 T CB -0.393 68.650 68.868 0.291 0.000 0.871 47 T HN 0.728 nan 8.240 nan 0.000 0.454 48 E N 1.626 121.898 120.200 0.120 0.000 2.031 48 E HA -0.126 4.162 4.350 -0.102 0.000 0.193 48 E C 1.732 178.398 176.600 0.109 0.000 0.994 48 E CA 1.352 57.795 56.400 0.071 0.000 0.800 48 E CB -1.353 28.375 29.700 0.047 0.000 0.752 48 E HN 0.682 nan 8.360 nan 0.000 0.447 49 F N 1.074 121.002 119.950 -0.037 0.000 2.063 49 F HA -0.196 4.270 4.527 -0.101 0.000 0.298 49 F C 2.763 178.509 175.800 -0.090 0.000 1.109 49 F CA 1.630 59.601 58.000 -0.048 0.000 1.212 49 F CB -0.217 38.769 39.000 -0.024 0.000 0.973 49 F HN 0.353 nan 8.300 nan 0.000 0.480 50 A N 0.635 123.497 122.820 0.070 0.000 1.892 50 A HA -0.275 3.984 4.320 -0.102 0.000 0.218 50 A C 2.126 179.491 177.584 -0.365 0.000 1.188 50 A CA 1.973 53.884 52.037 -0.209 0.000 0.631 50 A CB -0.802 18.047 19.000 -0.250 0.000 0.822 50 A HN 0.367 nan 8.150 nan 0.000 0.447 51 K N -0.584 119.591 120.400 -0.375 0.000 2.113 51 K HA -0.178 4.080 4.320 -0.102 0.000 0.208 51 K C 2.286 178.754 176.600 -0.220 0.000 1.047 51 K CA 2.006 58.050 56.287 -0.405 0.000 0.928 51 K CB -0.906 31.456 32.500 -0.231 0.000 0.716 51 K HN 0.805 nan 8.250 nan 0.000 0.446 52 T N -1.482 113.026 114.554 -0.077 0.000 2.857 52 T HA -0.104 4.185 4.350 -0.102 0.000 0.266 52 T C 2.428 177.118 174.700 -0.016 0.000 1.048 52 T CA 1.259 63.344 62.100 -0.026 0.000 1.139 52 T CB -0.601 68.281 68.868 0.023 0.000 0.874 52 T HN 0.163 nan 8.240 nan 0.000 0.455 53 c N 1.269 119.874 118.600 0.009 0.000 2.422 53 c HA 0.036 4.545 4.570 -0.102 0.000 0.279 53 c C 2.896 176.943 174.090 -0.072 0.000 1.305 53 c CA 0.402 56.727 56.329 -0.006 0.000 1.757 53 c CB -1.332 41.149 42.510 -0.048 0.000 1.962 53 c HN 0.488 nan 8.230 nan 0.000 0.499 54 V N 1.458 121.277 119.914 -0.159 0.000 2.287 54 V HA -0.243 3.816 4.120 -0.102 0.000 0.248 54 V C 2.641 178.680 176.094 -0.093 0.000 1.053 54 V CA 2.370 64.574 62.300 -0.160 0.000 1.027 54 V CB -1.326 30.335 31.823 -0.270 0.000 0.646 54 V HN 0.625 nan 8.190 nan 0.000 0.447 55 A N 0.093 122.862 122.820 -0.086 0.000 1.823 55 A HA -0.017 4.242 4.320 -0.102 0.000 0.214 55 A C 1.528 179.092 177.584 -0.032 0.000 1.225 55 A CA 1.431 53.436 52.037 -0.054 0.000 0.604 55 A CB -1.076 17.893 19.000 -0.052 0.000 0.878 55 A HN 0.585 nan 8.150 nan 0.000 0.450 56 D N 0.105 120.492 120.400 -0.022 0.000 2.456 56 D HA 0.491 5.070 4.640 -0.102 0.000 0.219 56 D C -0.027 176.278 176.300 0.009 0.000 1.126 56 D CA -0.220 53.777 54.000 -0.005 0.000 0.890 56 D CB 0.000 40.800 40.800 -0.000 0.000 1.025 56 D HN 0.516 nan 8.370 nan 0.000 0.511 57 E N 0.624 120.826 120.200 0.004 0.000 2.651 57 E HA 0.185 4.474 4.350 -0.102 0.000 0.236 57 E C 0.577 177.194 176.600 0.028 0.000 1.422 57 E CA 0.122 56.530 56.400 0.013 0.000 1.534 57 E CB 0.054 29.757 29.700 0.004 0.000 1.381 57 E HN 0.456 nan 8.360 nan 0.000 0.435 58 S N -1.704 114.020 115.700 0.039 0.000 2.708 58 S HA 0.213 4.622 4.470 -0.102 0.000 0.214 58 S C 0.842 175.474 174.600 0.054 0.000 0.820 58 S CA 0.249 58.477 58.200 0.046 0.000 1.439 58 S CB -0.162 63.056 63.200 0.030 0.000 1.275 58 S HN 0.340 nan 8.310 nan 0.000 0.588 59 A N 1.884 124.742 122.820 0.063 0.000 2.673 59 A HA 0.106 4.365 4.320 -0.102 0.000 0.193 59 A C 1.904 179.517 177.584 0.048 0.000 1.078 59 A CA 2.427 54.494 52.037 0.050 0.000 0.969 59 A CB -1.633 17.403 19.000 0.061 0.000 0.792 59 A HN 0.969 nan 8.150 nan 0.000 0.564 60 E N -1.171 119.066 120.200 0.061 0.000 2.013 60 E HA -0.025 4.263 4.350 -0.102 0.000 0.194 60 E C 1.231 177.911 176.600 0.133 0.000 0.973 60 E CA 1.537 57.949 56.400 0.020 0.000 0.842 60 E CB -0.602 28.969 29.700 -0.215 0.000 0.801 60 E HN 0.714 nan 8.360 nan 0.000 0.476 61 N N -1.562 117.338 118.700 0.334 0.000 2.240 61 N HA 0.162 4.840 4.740 -0.102 0.000 0.240 61 N C 0.623 176.271 175.510 0.229 0.000 1.277 61 N CA 0.085 53.296 53.050 0.269 0.000 0.873 61 N CB 0.361 39.011 38.487 0.270 0.000 1.222 61 N HN 0.402 nan 8.380 nan 0.000 0.507 62 c N 1.375 120.125 118.600 0.250 0.000 2.385 62 c HA -0.119 4.390 4.570 -0.102 0.000 0.306 62 c C 1.818 175.929 174.090 0.035 0.000 1.433 62 c CA 0.956 57.325 56.329 0.066 0.000 1.796 62 c CB -1.086 41.486 42.510 0.104 0.000 1.749 62 c HN 0.581 nan 8.230 nan 0.000 0.565 63 D N -0.059 120.380 120.400 0.065 0.000 2.340 63 D HA -0.004 4.574 4.640 -0.102 0.000 0.220 63 D C 0.842 177.173 176.300 0.052 0.000 1.039 63 D CA 0.289 54.321 54.000 0.054 0.000 0.866 63 D CB 0.192 41.026 40.800 0.057 0.000 0.913 63 D HN 0.487 nan 8.370 nan 0.000 0.523 64 K N 0.886 121.316 120.400 0.050 0.000 2.731 64 K HA 0.255 4.513 4.320 -0.102 0.000 0.284 64 K C 0.496 177.128 176.600 0.054 0.000 1.027 64 K CA -0.486 55.835 56.287 0.057 0.000 1.040 64 K CB 0.524 33.065 32.500 0.067 0.000 1.334 64 K HN 0.021 nan 8.250 nan 0.000 0.498 65 S N 0.341 116.085 115.700 0.074 0.000 2.475 65 S HA 0.183 4.592 4.470 -0.102 0.000 0.298 65 S C 1.070 175.732 174.600 0.103 0.000 1.119 65 S CA -0.766 57.485 58.200 0.084 0.000 1.085 65 S CB 0.877 64.147 63.200 0.116 0.000 1.028 65 S HN 0.391 nan 8.310 nan 0.000 0.489 66 L N 2.210 123.488 121.223 0.091 0.000 2.030 66 L HA -0.220 4.058 4.340 -0.102 0.000 0.222 66 L C 2.591 179.702 176.870 0.401 0.000 1.082 66 L CA 2.055 57.037 54.840 0.237 0.000 0.785 66 L CB -2.413 39.792 42.059 0.243 0.000 0.895 66 L HN 0.823 nan 8.230 nan 0.000 0.439 67 H N -0.084 119.173 119.070 0.311 0.000 2.265 67 H HA -0.148 4.346 4.556 -0.104 0.000 0.295 67 H C 2.215 177.668 175.328 0.209 0.000 1.084 67 H CA 2.083 58.280 56.048 0.248 0.000 1.261 67 H CB -0.815 29.044 29.762 0.162 0.000 1.360 67 H HN 0.349 nan 8.280 nan 0.000 0.487 68 T N 1.451 116.177 114.554 0.287 0.000 2.624 68 T HA -0.234 4.054 4.350 -0.102 0.000 0.268 68 T C 2.746 177.547 174.700 0.168 0.000 1.041 68 T CA 2.460 64.673 62.100 0.188 0.000 1.159 68 T CB -1.116 67.835 68.868 0.139 0.000 0.863 68 T HN 0.351 nan 8.240 nan 0.000 0.434 69 L N 0.486 121.788 121.223 0.132 0.000 1.955 69 L HA 0.068 4.347 4.340 -0.102 0.000 0.213 69 L C 2.561 179.469 176.870 0.064 0.000 1.072 69 L CA 2.276 57.147 54.840 0.052 0.000 0.755 69 L CB -2.067 39.925 42.059 -0.112 0.000 0.888 69 L HN 0.366 nan 8.230 nan 0.000 0.432 70 F N 0.886 120.898 119.950 0.103 0.000 2.091 70 F HA -0.099 4.369 4.527 -0.097 0.000 0.299 70 F C 2.629 178.409 175.800 -0.032 0.000 1.103 70 F CA 1.916 59.943 58.000 0.044 0.000 1.228 70 F CB -0.966 38.006 39.000 -0.047 0.000 0.984 70 F HN 0.283 nan 8.300 nan 0.000 0.477 71 G N -0.380 108.553 108.800 0.222 0.000 2.446 71 G HA2 -0.248 3.651 3.960 -0.102 0.000 0.217 71 G HA3 -0.248 3.651 3.960 -0.102 0.000 0.217 71 G C 1.299 176.292 174.900 0.155 0.000 1.168 71 G CA 1.265 46.463 45.100 0.163 0.000 0.771 71 G HN 0.246 nan 8.290 nan 0.000 0.551 72 D N 0.338 120.827 120.400 0.149 0.000 2.144 72 D HA -0.053 4.526 4.640 -0.102 0.000 0.199 72 D C 2.686 179.063 176.300 0.129 0.000 0.984 72 D CA 1.006 55.082 54.000 0.127 0.000 0.834 72 D CB -0.182 40.687 40.800 0.114 0.000 0.955 72 D HN 0.229 nan 8.370 nan 0.000 0.465 73 K N 0.441 120.936 120.400 0.159 0.000 2.026 73 K HA -0.036 4.223 4.320 -0.102 0.000 0.208 73 K C 2.546 179.272 176.600 0.209 0.000 1.048 73 K CA 0.366 56.774 56.287 0.201 0.000 0.929 73 K CB -0.904 31.782 32.500 0.310 0.000 0.713 73 K HN 0.264 nan 8.250 nan 0.000 0.439 74 L N 0.162 121.495 121.223 0.183 0.000 2.083 74 L HA -0.131 4.148 4.340 -0.102 0.000 0.209 74 L C 2.416 179.339 176.870 0.089 0.000 1.083 74 L CA 1.014 55.918 54.840 0.106 0.000 0.752 74 L CB -0.554 41.403 42.059 -0.170 0.000 0.899 74 L HN 0.307 nan 8.230 nan 0.000 0.433 75 c N -0.103 118.564 118.600 0.112 0.000 2.503 75 c HA -0.062 4.447 4.570 -0.102 0.000 0.285 75 c C 2.527 176.662 174.090 0.076 0.000 1.473 75 c CA 1.171 57.568 56.329 0.113 0.000 1.708 75 c CB -1.894 40.690 42.510 0.123 0.000 1.638 75 c HN 0.627 nan 8.230 nan 0.000 0.585 76 T N -3.775 110.824 114.554 0.074 0.000 3.107 76 T HA 0.132 4.421 4.350 -0.102 0.000 0.249 76 T C 0.957 175.678 174.700 0.035 0.000 1.096 76 T CA 0.769 62.900 62.100 0.051 0.000 1.012 76 T CB 0.015 68.914 68.868 0.052 0.000 0.977 76 T HN 0.318 nan 8.240 nan 0.000 0.527 77 V N -0.608 119.330 119.914 0.040 0.000 3.332 77 V HA 0.502 4.561 4.120 -0.102 0.000 0.263 77 V C 2.689 178.798 176.094 0.025 0.000 1.562 77 V CA 0.133 62.446 62.300 0.021 0.000 1.040 77 V CB -0.339 31.488 31.823 0.006 0.000 0.857 77 V HN 0.435 nan 8.190 nan 0.000 0.428 78 A N 1.292 124.140 122.820 0.046 0.000 1.930 78 A HA -0.138 4.121 4.320 -0.102 0.000 0.217 78 A C 2.180 179.782 177.584 0.031 0.000 1.175 78 A CA 2.326 54.395 52.037 0.053 0.000 0.627 78 A CB -0.924 18.141 19.000 0.108 0.000 0.815 78 A HN 0.528 nan 8.150 nan 0.000 0.443 79 T N 0.381 114.951 114.554 0.028 0.000 3.026 79 T HA -0.046 4.242 4.350 -0.102 0.000 0.271 79 T C 0.687 175.389 174.700 0.004 0.000 1.149 79 T CA 0.584 62.691 62.100 0.011 0.000 1.088 79 T CB -0.639 68.236 68.868 0.012 0.000 0.857 79 T HN 0.330 nan 8.240 nan 0.000 0.551 80 L N 1.644 122.871 121.223 0.007 0.000 2.399 80 L HA 0.353 4.632 4.340 -0.102 0.000 0.257 80 L C 2.212 179.082 176.870 0.001 0.000 1.236 80 L CA -0.649 54.192 54.840 0.002 0.000 1.144 80 L CB -0.257 41.804 42.059 0.002 0.000 1.379 80 L HN 0.181 nan 8.230 nan 0.000 0.414 81 R N 1.405 121.902 120.500 -0.004 0.000 2.159 81 R HA -0.153 4.126 4.340 -0.102 0.000 0.237 81 R C 2.099 178.397 176.300 -0.003 0.000 1.131 81 R CA 1.665 57.761 56.100 -0.008 0.000 0.982 81 R CB -1.368 28.925 30.300 -0.012 0.000 0.868 81 R HN 0.698 nan 8.270 nan 0.000 0.453 82 E N 0.258 120.457 120.200 -0.002 0.000 2.267 82 E HA -0.144 4.145 4.350 -0.102 0.000 0.197 82 E C 2.073 178.675 176.600 0.003 0.000 0.998 82 E CA 1.817 58.217 56.400 0.000 0.000 0.830 82 E CB -0.771 28.929 29.700 -0.000 0.000 0.751 82 E HN 0.747 nan 8.360 nan 0.000 0.491 83 T N -2.771 111.786 114.554 0.004 0.000 3.044 83 T HA 0.361 4.649 4.350 -0.102 0.000 0.237 83 T C 1.038 175.744 174.700 0.011 0.000 1.001 83 T CA 0.927 63.032 62.100 0.008 0.000 1.160 83 T CB 0.215 69.088 68.868 0.008 0.000 0.889 83 T HN 0.732 nan 8.240 nan 0.000 0.442 84 Y N 1.618 121.923 120.300 0.009 0.000 2.863 84 Y HA 0.749 5.238 4.550 -0.102 0.000 0.348 84 Y C 1.327 177.221 175.900 -0.009 0.000 1.028 84 Y CA -1.347 56.757 58.100 0.007 0.000 1.213 84 Y CB -0.133 38.337 38.460 0.017 0.000 1.120 84 Y HN 0.293 nan 8.280 nan 0.000 0.598 85 G N 0.448 109.243 108.800 -0.009 0.000 2.639 85 G HA2 -0.102 3.797 3.960 -0.102 0.000 0.216 85 G HA3 -0.102 3.797 3.960 -0.102 0.000 0.216 85 G C 1.493 176.370 174.900 -0.040 0.000 1.267 85 G CA 1.882 46.972 45.100 -0.017 0.000 0.801 85 G HN 1.273 nan 8.290 nan 0.000 0.592 86 E N 0.263 120.434 120.200 -0.047 0.000 2.463 86 E HA 0.060 4.348 4.350 -0.102 0.000 0.201 86 E C 2.225 178.685 176.600 -0.232 0.000 1.045 86 E CA 1.371 57.715 56.400 -0.093 0.000 0.872 86 E CB -0.387 29.297 29.700 -0.028 0.000 0.797 86 E HN 0.356 nan 8.360 nan 0.000 0.538 87 M N -0.175 119.321 119.600 -0.174 0.000 2.236 87 M HA 0.200 4.619 4.480 -0.102 0.000 0.266 87 M C 2.787 179.008 176.300 -0.132 0.000 1.070 87 M CA 1.178 56.376 55.300 -0.170 0.000 1.137 87 M CB -0.984 31.599 32.600 -0.027 0.000 1.378 87 M HN 0.474 nan 8.290 nan 0.000 0.426 88 A N 0.870 123.641 122.820 -0.082 0.000 1.958 88 A HA -0.246 4.012 4.320 -0.102 0.000 0.221 88 A C 1.763 179.288 177.584 -0.098 0.000 1.178 88 A CA 2.243 54.242 52.037 -0.063 0.000 0.642 88 A CB -0.910 18.065 19.000 -0.043 0.000 0.816 88 A HN 0.443 nan 8.150 nan 0.000 0.453 89 D N -0.107 120.219 120.400 -0.124 0.000 2.205 89 D HA -0.213 4.365 4.640 -0.102 0.000 0.190 89 D C 2.042 178.235 176.300 -0.178 0.000 1.002 89 D CA 1.786 55.710 54.000 -0.127 0.000 0.848 89 D CB -1.192 39.533 40.800 -0.125 0.000 0.975 89 D HN 0.478 nan 8.370 nan 0.000 0.449 90 c N 0.664 119.090 118.600 -0.290 0.000 2.363 90 c HA -0.249 4.260 4.570 -0.102 0.000 0.274 90 c C 3.164 177.024 174.090 -0.384 0.000 1.183 90 c CA 0.805 56.844 56.329 -0.484 0.000 1.771 90 c CB -1.176 40.800 42.510 -0.890 0.000 2.059 90 c HN 0.489 nan 8.230 nan 0.000 0.455 91 c N 0.649 119.116 118.600 -0.221 0.000 2.435 91 c HA 0.018 4.527 4.570 -0.102 0.000 0.279 91 c C 3.004 177.049 174.090 -0.075 0.000 1.321 91 c CA 0.945 57.220 56.329 -0.090 0.000 1.752 91 c CB -1.605 40.904 42.510 -0.002 0.000 1.959 91 c HN 0.732 nan 8.230 nan 0.000 0.500 92 A N 0.627 123.397 122.820 -0.084 0.000 2.121 92 A HA 0.193 4.452 4.320 -0.102 0.000 0.218 92 A C 1.498 179.043 177.584 -0.066 0.000 1.154 92 A CA 1.720 53.721 52.037 -0.060 0.000 0.679 92 A CB -0.521 18.447 19.000 -0.054 0.000 0.795 92 A HN 0.635 nan 8.150 nan 0.000 0.458 93 K N -1.555 118.785 120.400 -0.101 0.000 2.273 93 K HA 0.601 4.860 4.320 -0.102 0.000 0.240 93 K C 0.049 176.605 176.600 -0.073 0.000 1.056 93 K CA 0.446 56.675 56.287 -0.096 0.000 0.910 93 K CB -0.491 31.922 32.500 -0.144 0.000 1.196 93 K HN 1.280 nan 8.250 nan 0.000 0.509 94 Q N 0.752 120.517 119.800 -0.059 0.000 2.389 94 Q HA 0.525 4.804 4.340 -0.102 0.000 0.277 94 Q C -0.625 175.359 176.000 -0.028 0.000 1.082 94 Q CA -0.817 54.969 55.803 -0.029 0.000 0.810 94 Q CB 0.907 29.639 28.738 -0.010 0.000 1.374 94 Q HN 0.697 nan 8.270 nan 0.000 0.422 95 E N 1.703 121.902 120.200 -0.002 0.000 2.481 95 E HA 0.092 4.381 4.350 -0.102 0.000 0.263 95 E C -1.439 175.166 176.600 0.008 0.000 0.992 95 E CA -1.245 55.159 56.400 0.006 0.000 0.938 95 E CB 0.965 30.696 29.700 0.052 0.000 0.933 95 E HN 0.585 nan 8.360 nan 0.000 0.453 96 P HA 0.041 nan 4.420 nan 0.000 0.251 96 P C 0.958 178.230 177.300 -0.046 0.000 1.223 96 P CA 0.876 63.970 63.100 -0.010 0.000 0.796 96 P CB 0.310 32.021 31.700 0.018 0.000 1.068 97 E N 0.943 121.114 120.200 -0.048 0.000 2.147 97 E HA -0.329 3.959 4.350 -0.102 0.000 0.199 97 E C 2.287 178.804 176.600 -0.138 0.000 1.005 97 E CA 2.368 58.723 56.400 -0.074 0.000 0.810 97 E CB -1.513 28.149 29.700 -0.063 0.000 0.736 97 E HN 0.383 nan 8.360 nan 0.000 0.460 98 R N 0.901 121.305 120.500 -0.159 0.000 2.066 98 R HA -0.039 4.240 4.340 -0.102 0.000 0.232 98 R C 2.240 178.311 176.300 -0.381 0.000 1.131 98 R CA 1.834 57.758 56.100 -0.293 0.000 0.955 98 R CB -1.550 28.641 30.300 -0.181 0.000 0.851 98 R HN 0.737 nan 8.270 nan 0.000 0.432 99 N N -0.287 118.299 118.700 -0.191 0.000 2.084 99 N HA -0.182 4.497 4.740 -0.102 0.000 0.190 99 N C 1.502 176.918 175.510 -0.157 0.000 1.030 99 N CA 1.361 54.315 53.050 -0.160 0.000 0.849 99 N CB 0.017 38.310 38.487 -0.324 0.000 1.012 99 N HN 0.479 nan 8.380 nan 0.000 0.423 100 E N 0.943 121.063 120.200 -0.132 0.000 2.058 100 E HA -0.200 4.088 4.350 -0.102 0.000 0.194 100 E C 2.178 178.734 176.600 -0.072 0.000 0.997 100 E CA 0.576 56.927 56.400 -0.081 0.000 0.801 100 E CB -1.192 28.486 29.700 -0.037 0.000 0.746 100 E HN 0.463 nan 8.360 nan 0.000 0.450 101 c N 0.473 118.989 118.600 -0.139 0.000 2.391 101 c HA -0.214 4.294 4.570 -0.102 0.000 0.276 101 c C 2.584 176.677 174.090 0.006 0.000 1.217 101 c CA 0.790 57.051 56.329 -0.113 0.000 1.766 101 c CB -1.357 40.969 42.510 -0.306 0.000 2.046 101 c HN 0.274 nan 8.230 nan 0.000 0.475 102 F N 1.170 121.080 119.950 -0.067 0.000 2.084 102 F HA 0.013 4.478 4.527 -0.104 0.000 0.296 102 F C 2.238 178.073 175.800 0.058 0.000 1.111 102 F CA 1.583 59.512 58.000 -0.119 0.000 1.224 102 F CB -1.125 37.525 39.000 -0.584 0.000 0.991 102 F HN 0.180 nan 8.300 nan 0.000 0.471 103 L N -0.470 120.897 121.223 0.240 0.000 2.013 103 L HA -0.290 3.988 4.340 -0.102 0.000 0.212 103 L C 2.623 179.561 176.870 0.113 0.000 1.073 103 L CA 1.872 56.809 54.840 0.160 0.000 0.753 103 L CB -1.431 40.637 42.059 0.015 0.000 0.890 103 L HN 0.191 nan 8.230 nan 0.000 0.432 104 Q N -0.563 119.273 119.800 0.059 0.000 2.364 104 Q HA -0.213 4.066 4.340 -0.102 0.000 0.209 104 Q C 1.525 177.450 176.000 -0.126 0.000 0.977 104 Q CA 1.607 57.384 55.803 -0.043 0.000 0.885 104 Q CB -0.657 28.009 28.738 -0.120 0.000 0.941 104 Q HN 0.743 nan 8.270 nan 0.000 0.464 105 H N -0.604 118.502 119.070 0.059 0.000 2.549 105 H HA 0.391 4.885 4.556 -0.102 0.000 0.279 105 H C 0.151 175.523 175.328 0.073 0.000 1.018 105 H CA -0.256 55.828 56.048 0.061 0.000 1.175 105 H CB 0.520 30.321 29.762 0.066 0.000 1.485 105 H HN 0.296 nan 8.280 nan 0.000 0.543 106 K N 1.267 121.759 120.400 0.154 0.000 2.382 106 K HA 0.012 4.271 4.320 -0.102 0.000 0.275 106 K C -0.407 176.248 176.600 0.091 0.000 1.009 106 K CA 0.004 56.341 56.287 0.082 0.000 0.970 106 K CB 0.615 33.080 32.500 -0.059 0.000 0.934 106 K HN 0.111 nan 8.250 nan 0.000 0.479 107 D N 1.739 122.174 120.400 0.059 0.000 2.303 107 D HA 0.075 4.654 4.640 -0.102 0.000 0.236 107 D C 0.039 176.364 176.300 0.042 0.000 1.068 107 D CA -0.300 53.728 54.000 0.047 0.000 0.830 107 D CB 1.083 41.898 40.800 0.026 0.000 1.109 107 D HN 0.384 nan 8.370 nan 0.000 0.496 108 D N 2.444 122.878 120.400 0.056 0.000 2.312 108 D HA -0.067 4.512 4.640 -0.102 0.000 0.211 108 D C -0.009 176.277 176.300 -0.023 0.000 0.964 108 D CA 0.703 54.728 54.000 0.041 0.000 0.877 108 D CB 0.412 41.230 40.800 0.031 0.000 0.924 108 D HN 0.444 nan 8.370 nan 0.000 0.515 109 N N 0.862 119.545 118.700 -0.028 0.000 2.750 109 N HA 0.183 4.862 4.740 -0.102 0.000 0.253 109 N C -2.796 172.688 175.510 -0.044 0.000 1.408 109 N CA -1.205 51.817 53.050 -0.048 0.000 0.780 109 N CB 1.747 40.211 38.487 -0.038 0.000 1.191 109 N HN -0.161 nan 8.380 nan 0.000 0.511 110 P HA 0.144 nan 4.420 nan 0.000 0.271 110 P C 0.060 177.335 177.300 -0.042 0.000 1.218 110 P CA 0.086 63.158 63.100 -0.047 0.000 0.780 110 P CB 0.492 32.150 31.700 -0.070 0.000 0.901 111 N N 2.861 121.546 118.700 -0.025 0.000 2.843 111 N HA 0.142 4.820 4.740 -0.102 0.000 0.284 111 N C 0.102 175.601 175.510 -0.019 0.000 1.274 111 N CA -0.201 52.837 53.050 -0.021 0.000 1.045 111 N CB -0.841 37.639 38.487 -0.010 0.000 1.370 111 N HN 0.291 nan 8.380 nan 0.000 0.525 112 L N 0.270 121.473 121.223 -0.033 0.000 2.292 112 L HA 0.408 4.687 4.340 -0.102 0.000 0.284 112 L C -1.845 175.009 176.870 -0.026 0.000 1.065 112 L CA -1.705 53.117 54.840 -0.030 0.000 0.806 112 L CB 1.194 43.218 42.059 -0.057 0.000 1.175 112 L HN 0.242 nan 8.230 nan 0.000 0.431 113 P HA 0.082 nan 4.420 nan 0.000 0.266 113 P C 0.031 177.324 177.300 -0.010 0.000 1.193 113 P CA -0.156 62.940 63.100 -0.006 0.000 0.770 113 P CB 0.384 32.088 31.700 0.007 0.000 0.836 114 R N 1.742 122.237 120.500 -0.007 0.000 2.758 114 R HA 0.069 4.348 4.340 -0.102 0.000 0.263 114 R C -0.049 176.252 176.300 0.001 0.000 1.010 114 R CA 0.022 56.119 56.100 -0.005 0.000 1.114 114 R CB -0.800 29.501 30.300 0.002 0.000 0.985 114 R HN 0.562 nan 8.270 nan 0.000 0.439 115 L N 3.612 124.836 121.223 0.002 0.000 2.360 115 L HA 0.401 4.680 4.340 -0.102 0.000 0.265 115 L C 0.115 177.000 176.870 0.026 0.000 1.066 115 L CA -0.654 54.191 54.840 0.008 0.000 0.929 115 L CB 0.941 42.995 42.059 -0.008 0.000 1.306 115 L HN 0.619 nan 8.230 nan 0.000 0.434 116 V N 6.096 126.029 119.914 0.031 0.000 3.003 116 V HA 0.484 4.542 4.120 -0.102 0.000 0.305 116 V C 0.064 176.192 176.094 0.057 0.000 1.078 116 V CA -0.405 61.920 62.300 0.041 0.000 1.083 116 V CB 0.993 32.838 31.823 0.037 0.000 1.039 116 V HN 0.915 nan 8.190 nan 0.000 0.481 117 R N 4.696 125.237 120.500 0.069 0.000 2.439 117 R HA 0.662 4.941 4.340 -0.102 0.000 0.310 117 R C -2.765 173.592 176.300 0.094 0.000 0.955 117 R CA -1.625 54.533 56.100 0.096 0.000 0.853 117 R CB 0.755 31.129 30.300 0.123 0.000 1.171 117 R HN 0.542 nan 8.270 nan 0.000 0.449 118 P HA -0.004 nan 4.420 nan 0.000 0.270 118 P C -0.064 177.292 177.300 0.094 0.000 1.216 118 P CA 0.251 63.407 63.100 0.092 0.000 0.788 118 P CB 0.342 32.104 31.700 0.103 0.000 0.883 119 E N 0.508 120.751 120.200 0.073 0.000 2.436 119 E HA 0.017 4.305 4.350 -0.102 0.000 0.262 119 E C 1.390 178.035 176.600 0.074 0.000 1.063 119 E CA 0.045 56.482 56.400 0.061 0.000 0.944 119 E CB -0.369 29.358 29.700 0.045 0.000 0.950 119 E HN 0.312 nan 8.360 nan 0.000 0.444 120 V N 1.922 121.871 119.914 0.058 0.000 2.527 120 V HA -0.274 3.784 4.120 -0.102 0.000 0.255 120 V C 2.678 178.809 176.094 0.061 0.000 1.081 120 V CA 2.914 65.248 62.300 0.057 0.000 1.092 120 V CB -1.483 30.345 31.823 0.009 0.000 0.673 120 V HN 0.955 nan 8.190 nan 0.000 0.470 121 D N -0.482 119.946 120.400 0.047 0.000 2.144 121 D HA -0.114 4.464 4.640 -0.102 0.000 0.200 121 D C 2.104 178.429 176.300 0.042 0.000 0.978 121 D CA 1.701 55.725 54.000 0.040 0.000 0.833 121 D CB -0.300 40.520 40.800 0.033 0.000 0.961 121 D HN 0.335 nan 8.370 nan 0.000 0.470 122 V N 0.318 120.265 119.914 0.054 0.000 2.346 122 V HA -0.177 3.882 4.120 -0.102 0.000 0.244 122 V C 2.844 178.963 176.094 0.042 0.000 1.037 122 V CA 1.749 64.080 62.300 0.051 0.000 1.029 122 V CB -0.523 31.341 31.823 0.068 0.000 0.663 122 V HN 0.484 nan 8.190 nan 0.000 0.454 123 M N -0.493 119.169 119.600 0.103 0.000 2.073 123 M HA -0.258 4.160 4.480 -0.102 0.000 0.258 123 M C 2.443 178.649 176.300 -0.156 0.000 1.070 123 M CA 2.150 57.518 55.300 0.114 0.000 1.103 123 M CB -0.929 31.930 32.600 0.432 0.000 1.321 123 M HN 0.396 nan 8.290 nan 0.000 0.405 124 c N 0.016 118.619 118.600 0.005 0.000 2.425 124 c HA -0.127 4.382 4.570 -0.102 0.000 0.277 124 c C 2.907 176.901 174.090 -0.160 0.000 1.280 124 c CA 1.362 57.648 56.329 -0.073 0.000 1.744 124 c CB -1.131 41.374 42.510 -0.008 0.000 1.989 124 c HN 0.589 nan 8.230 nan 0.000 0.491 125 T N 1.230 115.741 114.554 -0.072 0.000 2.614 125 T HA -0.136 4.152 4.350 -0.102 0.000 0.263 125 T C 2.201 176.829 174.700 -0.121 0.000 1.055 125 T CA 1.845 63.923 62.100 -0.036 0.000 1.162 125 T CB -0.648 68.217 68.868 -0.006 0.000 0.863 125 T HN 0.612 nan 8.240 nan 0.000 0.414 126 A N 1.244 123.966 122.820 -0.164 0.000 1.927 126 A HA -0.146 4.113 4.320 -0.102 0.000 0.220 126 A C 2.046 179.363 177.584 -0.445 0.000 1.185 126 A CA 1.991 53.909 52.037 -0.198 0.000 0.639 126 A CB -1.064 17.894 19.000 -0.071 0.000 0.820 126 A HN 0.512 nan 8.150 nan 0.000 0.451 127 F N 0.225 119.523 119.950 -1.087 0.000 2.075 127 F HA -0.177 4.289 4.527 -0.101 0.000 0.297 127 F C 2.355 177.883 175.800 -0.453 0.000 1.113 127 F CA 2.179 59.417 58.000 -1.269 0.000 1.218 127 F CB -0.670 37.409 39.000 -1.535 0.000 0.984 127 F HN 0.354 nan 8.300 nan 0.000 0.472 128 H N -0.074 118.623 119.070 -0.622 0.000 2.353 128 H HA -0.129 4.367 4.556 -0.101 0.000 0.300 128 H C 1.990 177.101 175.328 -0.362 0.000 1.090 128 H CA 1.718 57.441 56.048 -0.542 0.000 1.327 128 H CB -0.895 28.715 29.762 -0.253 0.000 1.383 128 H HN 0.398 nan 8.280 nan 0.000 0.508 129 D N 0.264 120.594 120.400 -0.117 0.000 2.088 129 D HA -0.140 4.439 4.640 -0.102 0.000 0.191 129 D C 0.499 176.739 176.300 -0.101 0.000 0.992 129 D CA 1.079 55.026 54.000 -0.089 0.000 0.831 129 D CB -0.003 40.764 40.800 -0.055 0.000 0.973 129 D HN 0.112 nan 8.370 nan 0.000 0.447 130 N N -0.481 118.157 118.700 -0.103 0.000 2.410 130 N HA 0.131 4.810 4.740 -0.102 0.000 0.287 130 N C -0.272 175.205 175.510 -0.055 0.000 1.044 130 N CA -0.329 52.690 53.050 -0.051 0.000 0.881 130 N CB 1.863 40.362 38.487 0.020 0.000 1.405 130 N HN 0.154 nan 8.380 nan 0.000 0.490 131 E N 2.632 122.794 120.200 -0.064 0.000 2.034 131 E HA -0.035 4.254 4.350 -0.102 0.000 0.192 131 E C 1.548 178.251 176.600 0.171 0.000 0.963 131 E CA 1.244 57.641 56.400 -0.005 0.000 0.831 131 E CB -0.069 29.570 29.700 -0.101 0.000 0.801 131 E HN 0.677 nan 8.360 nan 0.000 0.463 132 E N 0.281 120.556 120.200 0.125 0.000 2.172 132 E HA -0.323 3.966 4.350 -0.102 0.000 0.213 132 E C 1.947 178.657 176.600 0.183 0.000 1.051 132 E CA 2.506 58.995 56.400 0.147 0.000 0.860 132 E CB -1.869 27.896 29.700 0.108 0.000 0.755 132 E HN 0.396 nan 8.360 nan 0.000 0.462 133 T N -0.544 114.122 114.554 0.188 0.000 2.788 133 T HA -0.014 4.274 4.350 -0.102 0.000 0.268 133 T C 1.701 176.514 174.700 0.190 0.000 1.044 133 T CA 1.140 63.377 62.100 0.229 0.000 1.139 133 T CB -0.416 68.583 68.868 0.218 0.000 0.867 133 T HN 0.467 nan 8.240 nan 0.000 0.454 134 F N 1.696 121.679 119.950 0.055 0.000 2.095 134 F HA 0.005 4.472 4.527 -0.099 0.000 0.298 134 F C 1.879 177.727 175.800 0.080 0.000 1.104 134 F CA 1.115 59.135 58.000 0.034 0.000 1.232 134 F CB -0.406 38.634 39.000 0.066 0.000 0.987 134 F HN 0.064 nan 8.300 nan 0.000 0.475 135 L N -0.575 120.755 121.223 0.178 0.000 2.313 135 L HA -0.126 4.152 4.340 -0.102 0.000 0.214 135 L C 2.268 179.202 176.870 0.106 0.000 1.119 135 L CA 0.861 55.786 54.840 0.142 0.000 0.809 135 L CB -0.560 41.631 42.059 0.221 0.000 0.933 135 L HN 0.088 nan 8.230 nan 0.000 0.449 136 K N 0.774 121.237 120.400 0.105 0.000 2.031 136 K HA -0.136 4.123 4.320 -0.102 0.000 0.205 136 K C 2.609 179.218 176.600 0.016 0.000 1.049 136 K CA 1.564 57.939 56.287 0.147 0.000 0.939 136 K CB -0.126 32.560 32.500 0.310 0.000 0.717 136 K HN 0.195 nan 8.250 nan 0.000 0.438 137 K N 0.714 120.950 120.400 -0.274 0.000 2.152 137 K HA -0.211 4.048 4.320 -0.102 0.000 0.206 137 K C 1.836 178.298 176.600 -0.231 0.000 1.048 137 K CA 1.771 57.728 56.287 -0.550 0.000 0.933 137 K CB -1.156 30.949 32.500 -0.659 0.000 0.721 137 K HN 0.304 nan 8.250 nan 0.000 0.447 138 Y N 1.176 121.258 120.300 -0.364 0.000 2.089 138 Y HA -0.092 4.399 4.550 -0.099 0.000 0.282 138 Y C 2.087 177.796 175.900 -0.319 0.000 1.139 138 Y CA 1.801 59.635 58.100 -0.444 0.000 1.123 138 Y CB -0.306 37.755 38.460 -0.665 0.000 0.980 138 Y HN 0.112 nan 8.280 nan 0.000 0.493 139 L N -0.739 120.314 121.223 -0.283 0.000 2.043 139 L HA -0.292 3.987 4.340 -0.102 0.000 0.212 139 L C 2.448 179.159 176.870 -0.264 0.000 1.075 139 L CA 2.119 56.763 54.840 -0.327 0.000 0.752 139 L CB -1.102 40.898 42.059 -0.098 0.000 0.891 139 L HN 0.401 nan 8.230 nan 0.000 0.432 140 Y N 1.153 121.318 120.300 -0.225 0.000 2.181 140 Y HA -0.223 4.270 4.550 -0.096 0.000 0.288 140 Y C 2.602 178.385 175.900 -0.194 0.000 1.146 140 Y CA 1.568 59.580 58.100 -0.146 0.000 1.164 140 Y CB -0.069 38.396 38.460 0.009 0.000 0.982 140 Y HN 0.115 nan 8.280 nan 0.000 0.515 141 E N 0.100 120.100 120.200 -0.334 0.000 2.150 141 E HA -0.138 4.151 4.350 -0.102 0.000 0.193 141 E C 2.188 178.548 176.600 -0.400 0.000 0.985 141 E CA 0.994 57.157 56.400 -0.395 0.000 0.814 141 E CB -0.084 29.476 29.700 -0.234 0.000 0.752 141 E HN 0.494 nan 8.360 nan 0.000 0.466 142 I N 0.926 121.199 120.570 -0.495 0.000 2.206 142 I HA -0.089 4.020 4.170 -0.102 0.000 0.239 142 I C 2.447 178.374 176.117 -0.317 0.000 1.078 142 I CA 0.883 61.904 61.300 -0.465 0.000 1.367 142 I CB -1.653 35.836 38.000 -0.853 0.000 1.078 142 I HN -0.075 nan 8.210 nan 0.000 0.413 143 A N 2.004 124.598 122.820 -0.377 0.000 1.908 143 A HA -0.240 4.019 4.320 -0.102 0.000 0.218 143 A C 2.423 179.864 177.584 -0.238 0.000 1.181 143 A CA 2.161 54.040 52.037 -0.264 0.000 0.627 143 A CB -0.749 18.098 19.000 -0.255 0.000 0.818 143 A HN 0.564 nan 8.150 nan 0.000 0.445 144 R N -0.811 119.485 120.500 -0.341 0.000 2.115 144 R HA -0.024 4.254 4.340 -0.102 0.000 0.230 144 R C 1.877 178.030 176.300 -0.244 0.000 1.111 144 R CA 1.393 57.301 56.100 -0.321 0.000 0.976 144 R CB -0.346 29.657 30.300 -0.494 0.000 0.870 144 R HN 0.448 nan 8.270 nan 0.000 0.445 145 R N -0.131 120.217 120.500 -0.253 0.000 2.246 145 R HA 0.112 4.390 4.340 -0.102 0.000 0.199 145 R C 0.069 176.073 176.300 -0.493 0.000 0.984 145 R CA 0.444 56.352 56.100 -0.321 0.000 1.015 145 R CB 0.276 30.380 30.300 -0.327 0.000 0.930 145 R HN 0.383 nan 8.270 nan 0.000 0.475 146 H N 0.615 119.642 119.070 -0.071 0.000 2.569 146 H HA 0.159 4.638 4.556 -0.127 0.000 0.247 146 H C -1.978 173.360 175.328 0.016 0.000 1.346 146 H CA -1.796 54.278 56.048 0.043 0.000 1.502 146 H CB 1.560 31.433 29.762 0.185 0.000 1.512 146 H HN -0.017 nan 8.280 nan 0.000 0.502 147 P HA -0.143 nan 4.420 nan 0.000 0.231 147 P C 0.285 177.361 177.300 -0.373 0.000 1.158 147 P CA 1.151 64.127 63.100 -0.207 0.000 0.763 147 P CB 0.103 31.648 31.700 -0.258 0.000 0.805 148 Y N -2.801 117.521 120.300 0.036 0.000 2.557 148 Y HA 0.298 4.792 4.550 -0.093 0.000 0.247 148 Y C 0.801 176.739 175.900 0.063 0.000 1.164 148 Y CA -0.998 57.116 58.100 0.023 0.000 1.218 148 Y CB -0.326 38.134 38.460 -0.001 0.000 1.210 148 Y HN -0.237 nan 8.280 nan 0.000 0.529 149 F N 1.484 121.484 119.950 0.084 0.000 2.571 149 F HA -0.048 4.457 4.527 -0.037 0.000 0.390 149 F C 0.511 176.354 175.800 0.070 0.000 1.043 149 F CA -0.896 57.133 58.000 0.048 0.000 1.164 149 F CB -0.073 38.890 39.000 -0.061 0.000 1.049 149 F HN 0.145 nan 8.300 nan 0.000 0.552 150 Y N 7.470 127.738 120.300 -0.053 0.000 2.816 150 Y HA 0.098 4.585 4.550 -0.106 0.000 0.373 150 Y C 1.185 177.207 175.900 0.203 0.000 1.341 150 Y CA -0.146 57.990 58.100 0.060 0.000 1.821 150 Y CB -0.302 38.162 38.460 0.006 0.000 1.349 150 Y HN 0.781 nan 8.280 nan 0.000 0.479 151 A N 7.083 129.804 122.820 -0.164 0.000 1.893 151 A HA -0.290 3.968 4.320 -0.102 0.000 0.222 151 A C -0.141 177.316 177.584 -0.211 0.000 1.309 151 A CA 2.338 54.273 52.037 -0.171 0.000 0.681 151 A CB -1.952 16.924 19.000 -0.206 0.000 0.842 151 A HN 0.680 nan 8.150 nan 0.000 0.468 152 P HA -0.177 nan 4.420 nan 0.000 0.216 152 P C 1.356 178.663 177.300 0.011 0.000 1.154 152 P CA 1.582 64.522 63.100 -0.265 0.000 0.865 152 P CB -0.060 31.390 31.700 -0.416 0.000 0.789 153 E N -1.147 119.104 120.200 0.085 0.000 2.208 153 E HA -0.099 4.190 4.350 -0.102 0.000 0.193 153 E C 1.810 178.855 176.600 0.742 0.000 0.988 153 E CA 0.588 57.325 56.400 0.560 0.000 0.828 153 E CB -0.700 29.501 29.700 0.835 0.000 0.763 153 E HN 0.162 nan 8.360 nan 0.000 0.478 154 L N 0.868 122.388 121.223 0.496 0.000 2.201 154 L HA -0.096 4.183 4.340 -0.102 0.000 0.212 154 L C 2.052 179.081 176.870 0.264 0.000 1.105 154 L CA 1.214 56.230 54.840 0.292 0.000 0.775 154 L CB -0.465 41.554 42.059 -0.068 0.000 0.913 154 L HN 0.064 nan 8.230 nan 0.000 0.440 155 L N -1.982 119.373 121.223 0.220 0.000 2.141 155 L HA -0.197 4.082 4.340 -0.102 0.000 0.209 155 L C 2.430 179.427 176.870 0.211 0.000 1.094 155 L CA 1.207 56.150 54.840 0.172 0.000 0.763 155 L CB -0.756 41.375 42.059 0.120 0.000 0.908 155 L HN 0.286 nan 8.230 nan 0.000 0.437 156 F N 0.616 120.651 119.950 0.141 0.000 2.146 156 F HA -0.190 4.273 4.527 -0.106 0.000 0.298 156 F C 2.114 177.895 175.800 -0.032 0.000 1.096 156 F CA 1.320 59.332 58.000 0.019 0.000 1.275 156 F CB -0.289 38.680 39.000 -0.051 0.000 1.008 156 F HN -0.140 nan 8.300 nan 0.000 0.480 157 F N 0.497 120.493 119.950 0.077 0.000 2.216 157 F HA -0.076 4.397 4.527 -0.089 0.000 0.300 157 F C 2.550 178.360 175.800 0.017 0.000 1.085 157 F CA 1.147 59.155 58.000 0.014 0.000 1.326 157 F CB -1.273 37.824 39.000 0.162 0.000 1.027 157 F HN 0.087 nan 8.300 nan 0.000 0.497 158 A N -0.049 122.925 122.820 0.255 0.000 1.858 158 A HA -0.217 4.042 4.320 -0.102 0.000 0.216 158 A C 2.256 179.878 177.584 0.063 0.000 1.190 158 A CA 2.063 54.222 52.037 0.204 0.000 0.617 158 A CB -1.022 18.103 19.000 0.209 0.000 0.827 158 A HN 0.183 nan 8.150 nan 0.000 0.443 159 K N -0.346 120.040 120.400 -0.023 0.000 2.103 159 K HA -0.119 4.139 4.320 -0.102 0.000 0.207 159 K C 2.311 178.824 176.600 -0.145 0.000 1.048 159 K CA 1.766 58.011 56.287 -0.070 0.000 0.930 159 K CB -0.604 31.832 32.500 -0.106 0.000 0.716 159 K HN 0.633 nan 8.250 nan 0.000 0.444 160 R N -1.753 118.575 120.500 -0.287 0.000 2.075 160 R HA -0.084 4.195 4.340 -0.102 0.000 0.232 160 R C 2.369 178.594 176.300 -0.125 0.000 1.126 160 R CA 1.961 57.881 56.100 -0.300 0.000 0.963 160 R CB -0.532 29.474 30.300 -0.489 0.000 0.858 160 R HN 0.565 nan 8.270 nan 0.000 0.435 161 Y N 1.650 121.815 120.300 -0.226 0.000 2.165 161 Y HA -0.281 4.210 4.550 -0.099 0.000 0.286 161 Y C 2.281 178.095 175.900 -0.143 0.000 1.155 161 Y CA 1.812 59.753 58.100 -0.265 0.000 1.164 161 Y CB -0.121 37.948 38.460 -0.651 0.000 0.978 161 Y HN -0.096 nan 8.280 nan 0.000 0.513 162 K N -0.099 120.272 120.400 -0.048 0.000 2.032 162 K HA -0.193 4.065 4.320 -0.102 0.000 0.209 162 K C 2.232 178.763 176.600 -0.114 0.000 1.048 162 K CA 1.309 57.555 56.287 -0.068 0.000 0.927 162 K CB -0.455 32.095 32.500 0.085 0.000 0.712 162 K HN 0.379 nan 8.250 nan 0.000 0.441 163 A N 0.818 123.585 122.820 -0.089 0.000 2.019 163 A HA -0.102 4.157 4.320 -0.102 0.000 0.219 163 A C 2.199 179.691 177.584 -0.154 0.000 1.164 163 A CA 1.741 53.727 52.037 -0.086 0.000 0.644 163 A CB -0.591 18.359 19.000 -0.084 0.000 0.805 163 A HN 0.494 nan 8.150 nan 0.000 0.449 164 A N -0.849 121.826 122.820 -0.241 0.000 1.858 164 A HA 0.017 4.276 4.320 -0.102 0.000 0.216 164 A C 1.939 179.234 177.584 -0.482 0.000 1.190 164 A CA 1.516 53.336 52.037 -0.362 0.000 0.617 164 A CB -0.708 18.009 19.000 -0.471 0.000 0.827 164 A HN 0.472 nan 8.150 nan 0.000 0.443 165 F N 0.159 119.754 119.950 -0.591 0.000 2.163 165 F HA -0.074 4.390 4.527 -0.105 0.000 0.297 165 F C 2.749 178.276 175.800 -0.454 0.000 1.094 165 F CA 1.674 59.236 58.000 -0.731 0.000 1.290 165 F CB -0.809 37.289 39.000 -1.503 0.000 1.017 165 F HN 0.097 nan 8.300 nan 0.000 0.483 166 T N -0.693 113.785 114.554 -0.126 0.000 2.849 166 T HA -0.239 4.050 4.350 -0.102 0.000 0.270 166 T C 1.839 176.598 174.700 0.099 0.000 1.066 166 T CA 1.773 63.981 62.100 0.179 0.000 1.130 166 T CB -0.189 68.788 68.868 0.181 0.000 0.864 166 T HN 0.407 nan 8.240 nan 0.000 0.481 167 E N -0.779 119.410 120.200 -0.018 0.000 2.110 167 E HA -0.028 4.261 4.350 -0.102 0.000 0.193 167 E C 2.281 178.854 176.600 -0.045 0.000 0.950 167 E CA 0.371 56.758 56.400 -0.021 0.000 0.840 167 E CB -0.127 29.542 29.700 -0.051 0.000 0.809 167 E HN 0.367 nan 8.360 nan 0.000 0.465 168 c N 0.995 119.519 118.600 -0.125 0.000 2.411 168 c HA -0.133 4.375 4.570 -0.102 0.000 0.279 168 c C 2.693 176.731 174.090 -0.087 0.000 1.288 168 c CA 0.608 56.853 56.329 -0.141 0.000 1.764 168 c CB -0.994 41.361 42.510 -0.258 0.000 1.974 168 c HN 0.638 nan 8.230 nan 0.000 0.498 169 c N -0.181 118.386 118.600 -0.055 0.000 2.466 169 c HA 0.025 4.534 4.570 -0.102 0.000 0.283 169 c C 2.572 176.720 174.090 0.097 0.000 1.472 169 c CA 1.401 57.743 56.329 0.023 0.000 1.765 169 c CB -2.025 40.495 42.510 0.017 0.000 1.724 169 c HN 0.815 nan 8.230 nan 0.000 0.560 170 Q N -0.433 119.413 119.800 0.077 0.000 2.189 170 Q HA 0.702 4.981 4.340 -0.102 0.000 0.221 170 Q C 0.533 176.550 176.000 0.029 0.000 0.848 170 Q CA 0.649 56.496 55.803 0.073 0.000 1.007 170 Q CB -0.158 28.628 28.738 0.079 0.000 1.116 170 Q HN 0.707 nan 8.270 nan 0.000 0.481 171 A N -0.281 122.545 122.820 0.009 0.000 2.301 171 A HA 0.868 5.127 4.320 -0.102 0.000 0.287 171 A C 1.486 179.069 177.584 -0.002 0.000 1.274 171 A CA 0.287 52.320 52.037 -0.006 0.000 0.865 171 A CB 0.235 19.218 19.000 -0.028 0.000 1.324 171 A HN 1.057 nan 8.150 nan 0.000 0.508 172 A N -1.675 121.141 122.820 -0.007 0.000 2.169 172 A HA 0.393 4.651 4.320 -0.102 0.000 0.210 172 A C 0.232 177.812 177.584 -0.007 0.000 1.168 172 A CA 1.224 53.258 52.037 -0.004 0.000 0.813 172 A CB 0.058 19.055 19.000 -0.005 0.000 0.861 172 A HN 0.651 nan 8.150 nan 0.000 0.481 173 D N -1.628 118.763 120.400 -0.014 0.000 2.445 173 D HA 0.409 4.987 4.640 -0.102 0.000 0.236 173 D C 0.963 177.245 176.300 -0.031 0.000 1.315 173 D CA 0.545 54.535 54.000 -0.018 0.000 0.924 173 D CB 0.585 41.375 40.800 -0.017 0.000 1.447 173 D HN 0.049 nan 8.370 nan 0.000 0.532 174 K N 1.607 121.988 120.400 -0.032 0.000 2.020 174 K HA -0.092 4.166 4.320 -0.102 0.000 0.212 174 K C 2.068 178.622 176.600 -0.076 0.000 1.050 174 K CA 2.082 58.334 56.287 -0.059 0.000 0.929 174 K CB -1.104 31.369 32.500 -0.045 0.000 0.714 174 K HN 0.501 nan 8.250 nan 0.000 0.443 175 A N 1.015 123.804 122.820 -0.051 0.000 1.927 175 A HA 0.047 4.305 4.320 -0.102 0.000 0.220 175 A C 2.790 180.341 177.584 -0.054 0.000 1.185 175 A CA 2.943 54.951 52.037 -0.047 0.000 0.639 175 A CB -1.027 17.959 19.000 -0.023 0.000 0.820 175 A HN 1.156 nan 8.150 nan 0.000 0.451 176 A N -1.690 121.102 122.820 -0.046 0.000 1.930 176 A HA -0.127 4.131 4.320 -0.102 0.000 0.217 176 A C 2.411 179.959 177.584 -0.059 0.000 1.175 176 A CA 1.683 53.694 52.037 -0.043 0.000 0.627 176 A CB -1.191 17.790 19.000 -0.031 0.000 0.815 176 A HN 0.922 nan 8.150 nan 0.000 0.443 177 c N -1.540 117.014 118.600 -0.076 0.000 2.492 177 c HA 0.313 4.821 4.570 -0.102 0.000 0.279 177 c C 2.830 176.833 174.090 -0.145 0.000 1.335 177 c CA 1.166 57.438 56.329 -0.096 0.000 1.734 177 c CB -1.191 41.263 42.510 -0.093 0.000 2.027 177 c HN 0.628 nan 8.230 nan 0.000 0.496 178 L N 0.834 121.946 121.223 -0.186 0.000 2.004 178 L HA 0.183 4.461 4.340 -0.102 0.000 0.205 178 L C 2.570 179.322 176.870 -0.197 0.000 1.089 178 L CA 2.094 56.765 54.840 -0.281 0.000 0.756 178 L CB -1.812 40.018 42.059 -0.381 0.000 0.900 178 L HN 0.448 nan 8.230 nan 0.000 0.440 179 L N -0.436 120.706 121.223 -0.135 0.000 2.184 179 L HA -0.304 3.974 4.340 -0.102 0.000 0.236 179 L C 0.870 177.706 176.870 -0.056 0.000 1.120 179 L CA 3.313 58.109 54.840 -0.073 0.000 0.844 179 L CB -2.269 39.765 42.059 -0.043 0.000 0.932 179 L HN 0.339 nan 8.230 nan 0.000 0.450 180 P HA -0.190 nan 4.420 nan 0.000 0.210 180 P C 1.535 178.814 177.300 -0.035 0.000 1.185 180 P CA 1.544 64.623 63.100 -0.035 0.000 0.924 180 P CB -0.111 31.565 31.700 -0.039 0.000 0.786 181 K N -0.660 119.700 120.400 -0.066 0.000 2.173 181 K HA -0.160 4.098 4.320 -0.102 0.000 0.207 181 K C 2.095 178.669 176.600 -0.044 0.000 1.046 181 K CA 1.220 57.467 56.287 -0.068 0.000 0.929 181 K CB -0.783 31.640 32.500 -0.128 0.000 0.720 181 K HN 0.195 nan 8.250 nan 0.000 0.453 182 L N 0.736 121.921 121.223 -0.063 0.000 2.109 182 L HA -0.159 4.119 4.340 -0.102 0.000 0.207 182 L C 1.980 178.887 176.870 0.062 0.000 1.086 182 L CA 0.977 55.820 54.840 0.005 0.000 0.760 182 L CB -0.349 41.697 42.059 -0.020 0.000 0.910 182 L HN 0.199 nan 8.230 nan 0.000 0.437 183 D N 0.053 120.475 120.400 0.036 0.000 2.097 183 D HA -0.232 4.347 4.640 -0.102 0.000 0.197 183 D C 1.950 178.292 176.300 0.070 0.000 0.984 183 D CA 1.261 55.292 54.000 0.052 0.000 0.826 183 D CB 0.096 40.915 40.800 0.033 0.000 0.973 183 D HN 0.373 nan 8.370 nan 0.000 0.460 184 E N 0.445 120.682 120.200 0.061 0.000 2.209 184 E HA -0.146 4.142 4.350 -0.102 0.000 0.196 184 E C 2.234 178.912 176.600 0.129 0.000 0.993 184 E CA 0.537 56.985 56.400 0.079 0.000 0.819 184 E CB -0.014 29.720 29.700 0.056 0.000 0.745 184 E HN 0.235 nan 8.360 nan 0.000 0.477 185 L N -0.275 121.035 121.223 0.145 0.000 2.095 185 L HA -0.081 4.197 4.340 -0.102 0.000 0.204 185 L C 3.120 180.121 176.870 0.219 0.000 1.080 185 L CA 1.139 56.120 54.840 0.235 0.000 0.759 185 L CB -0.622 41.588 42.059 0.252 0.000 0.914 185 L HN 0.194 nan 8.230 nan 0.000 0.439 186 R N 0.226 120.818 120.500 0.154 0.000 2.091 186 R HA -0.210 4.069 4.340 -0.102 0.000 0.238 186 R C 1.717 178.074 176.300 0.095 0.000 1.136 186 R CA 2.076 58.241 56.100 0.108 0.000 0.959 186 R CB -1.436 28.921 30.300 0.094 0.000 0.856 186 R HN 0.395 nan 8.270 nan 0.000 0.437 187 D N -0.034 120.431 120.400 0.108 0.000 2.075 187 D HA -0.175 4.403 4.640 -0.102 0.000 0.196 187 D C 1.852 178.227 176.300 0.125 0.000 0.985 187 D CA 1.643 55.704 54.000 0.101 0.000 0.834 187 D CB -0.746 40.108 40.800 0.091 0.000 0.987 187 D HN 0.694 nan 8.370 nan 0.000 0.452 188 E N 0.327 120.638 120.200 0.185 0.000 2.233 188 E HA -0.177 4.112 4.350 -0.102 0.000 0.199 188 E C 1.908 178.682 176.600 0.290 0.000 1.004 188 E CA 1.536 58.102 56.400 0.276 0.000 0.819 188 E CB -0.247 29.689 29.700 0.393 0.000 0.738 188 E HN 0.288 nan 8.360 nan 0.000 0.478 189 G N -0.482 108.404 108.800 0.144 0.000 2.492 189 G HA2 -0.157 3.741 3.960 -0.102 0.000 0.214 189 G HA3 -0.157 3.741 3.960 -0.102 0.000 0.214 189 G C 1.700 176.567 174.900 -0.055 0.000 1.147 189 G CA 0.280 45.304 45.100 -0.127 0.000 0.809 189 G HN 0.064 nan 8.290 nan 0.000 0.533 190 K N 0.803 121.193 120.400 -0.016 0.000 2.097 190 K HA 0.187 4.445 4.320 -0.102 0.000 0.205 190 K C 3.059 179.664 176.600 0.009 0.000 1.050 190 K CA 1.140 57.424 56.287 -0.004 0.000 0.938 190 K CB -0.682 31.855 32.500 0.062 0.000 0.718 190 K HN 0.442 nan 8.250 nan 0.000 0.442 191 A N 0.470 123.318 122.820 0.046 0.000 1.858 191 A HA -0.188 4.070 4.320 -0.102 0.000 0.216 191 A C 2.347 179.930 177.584 -0.001 0.000 1.190 191 A CA 2.255 54.330 52.037 0.063 0.000 0.617 191 A CB -1.228 17.830 19.000 0.097 0.000 0.827 191 A HN 0.425 nan 8.150 nan 0.000 0.443 192 S N -0.583 115.107 115.700 -0.017 0.000 2.368 192 S HA -0.219 4.190 4.470 -0.102 0.000 0.226 192 S C 2.371 176.758 174.600 -0.354 0.000 1.044 192 S CA 2.246 60.373 58.200 -0.122 0.000 1.062 192 S CB -0.554 62.589 63.200 -0.095 0.000 0.931 192 S HN 0.678 nan 8.310 nan 0.000 0.440 193 S N 0.375 115.786 115.700 -0.482 0.000 2.370 193 S HA -0.072 4.337 4.470 -0.102 0.000 0.226 193 S C 2.000 176.500 174.600 -0.167 0.000 1.033 193 S CA 1.592 59.527 58.200 -0.443 0.000 1.011 193 S CB -0.709 62.354 63.200 -0.227 0.000 0.852 193 S HN 0.690 nan 8.310 nan 0.000 0.457 194 A N 1.143 123.906 122.820 -0.095 0.000 1.872 194 A HA 0.042 4.300 4.320 -0.102 0.000 0.214 194 A C 2.101 179.618 177.584 -0.111 0.000 1.187 194 A CA 1.312 53.307 52.037 -0.071 0.000 0.614 194 A CB -0.544 18.437 19.000 -0.031 0.000 0.826 194 A HN 0.595 nan 8.150 nan 0.000 0.442 195 K N -0.813 119.526 120.400 -0.102 0.000 2.113 195 K HA -0.240 4.018 4.320 -0.102 0.000 0.208 195 K C 2.325 178.811 176.600 -0.189 0.000 1.047 195 K CA 1.739 57.946 56.287 -0.134 0.000 0.928 195 K CB -0.095 32.351 32.500 -0.090 0.000 0.716 195 K HN 0.460 nan 8.250 nan 0.000 0.446 196 Q N 1.139 120.836 119.800 -0.171 0.000 2.083 196 Q HA -0.124 4.154 4.340 -0.102 0.000 0.198 196 Q C 1.943 177.864 176.000 -0.131 0.000 0.969 196 Q CA 1.471 57.188 55.803 -0.143 0.000 0.838 196 Q CB -0.115 28.558 28.738 -0.109 0.000 0.900 196 Q HN 0.051 nan 8.270 nan 0.000 0.436 197 R N -0.302 120.119 120.500 -0.132 0.000 2.117 197 R HA -0.147 4.131 4.340 -0.102 0.000 0.243 197 R C 1.951 178.120 176.300 -0.219 0.000 1.143 197 R CA 1.356 57.343 56.100 -0.189 0.000 0.968 197 R CB -0.821 29.377 30.300 -0.169 0.000 0.863 197 R HN 0.394 nan 8.270 nan 0.000 0.444 198 L N 0.795 121.894 121.223 -0.206 0.000 2.017 198 L HA -0.103 4.175 4.340 -0.102 0.000 0.208 198 L C 1.592 178.324 176.870 -0.229 0.000 1.073 198 L CA 1.926 56.634 54.840 -0.220 0.000 0.745 198 L CB -0.512 41.388 42.059 -0.265 0.000 0.894 198 L HN 0.118 nan 8.230 nan 0.000 0.432 199 K N -1.271 118.964 120.400 -0.275 0.000 2.063 199 K HA -0.188 4.070 4.320 -0.102 0.000 0.208 199 K C 2.110 178.644 176.600 -0.111 0.000 1.048 199 K CA 1.780 57.940 56.287 -0.212 0.000 0.928 199 K CB -0.527 31.776 32.500 -0.329 0.000 0.713 199 K HN 0.441 nan 8.250 nan 0.000 0.442 200 c N 0.300 118.828 118.600 -0.120 0.000 2.457 200 c HA 0.017 4.526 4.570 -0.102 0.000 0.278 200 c C 2.883 176.915 174.090 -0.098 0.000 1.309 200 c CA 0.541 56.823 56.329 -0.078 0.000 1.735 200 c CB -0.802 41.686 42.510 -0.037 0.000 1.992 200 c HN 0.536 nan 8.230 nan 0.000 0.493 201 A N 0.791 123.526 122.820 -0.141 0.000 1.902 201 A HA -0.150 4.109 4.320 -0.102 0.000 0.217 201 A C 2.253 179.852 177.584 0.025 0.000 1.181 201 A CA 2.315 54.291 52.037 -0.101 0.000 0.623 201 A CB -0.816 18.130 19.000 -0.091 0.000 0.818 201 A HN 0.547 nan 8.150 nan 0.000 0.443 202 S N 0.023 115.778 115.700 0.092 0.000 2.351 202 S HA -0.165 4.244 4.470 -0.102 0.000 0.220 202 S C 1.885 176.609 174.600 0.207 0.000 1.035 202 S CA 1.632 59.981 58.200 0.248 0.000 1.031 202 S CB -0.598 62.685 63.200 0.139 0.000 0.928 202 S HN 0.486 nan 8.310 nan 0.000 0.433 203 L N 1.257 122.542 121.223 0.104 0.000 1.970 203 L HA -0.237 4.042 4.340 -0.102 0.000 0.212 203 L C 2.892 179.779 176.870 0.028 0.000 1.071 203 L CA 1.568 56.435 54.840 0.045 0.000 0.751 203 L CB -0.587 41.426 42.059 -0.077 0.000 0.889 203 L HN 0.378 nan 8.230 nan 0.000 0.432 204 Q N -0.748 119.051 119.800 -0.003 0.000 2.050 204 Q HA -0.190 4.089 4.340 -0.102 0.000 0.202 204 Q C 2.454 178.397 176.000 -0.095 0.000 0.980 204 Q CA 1.828 57.615 55.803 -0.027 0.000 0.840 204 Q CB -0.031 28.694 28.738 -0.022 0.000 0.898 204 Q HN 0.269 nan 8.270 nan 0.000 0.424 205 K N -0.539 119.747 120.400 -0.190 0.000 2.137 205 K HA 0.031 4.290 4.320 -0.102 0.000 0.202 205 K C 1.605 177.853 176.600 -0.587 0.000 1.052 205 K CA 0.815 56.833 56.287 -0.448 0.000 0.961 205 K CB -0.092 31.983 32.500 -0.708 0.000 0.741 205 K HN 0.245 nan 8.250 nan 0.000 0.452 206 F N -0.094 119.858 119.950 0.003 0.000 2.717 206 F HA 0.442 4.900 4.527 -0.115 0.000 0.295 206 F C 1.273 177.092 175.800 0.033 0.000 1.117 206 F CA 0.371 58.381 58.000 0.016 0.000 1.361 206 F CB 0.516 39.526 39.000 0.016 0.000 1.112 206 F HN 0.336 nan 8.300 nan 0.000 0.594 207 G N 1.063 109.958 108.800 0.159 0.000 2.629 207 G HA2 -0.161 3.737 3.960 -0.102 0.000 0.686 207 G HA3 -0.161 3.737 3.960 -0.102 0.000 0.686 207 G C 0.453 175.446 174.900 0.155 0.000 1.232 207 G CA -0.247 44.928 45.100 0.124 0.000 0.803 207 G HN 0.380 nan 8.290 nan 0.000 0.638 208 E N -0.112 120.160 120.200 0.121 0.000 2.268 208 E HA -0.089 4.200 4.350 -0.102 0.000 0.195 208 E C 2.287 179.008 176.600 0.200 0.000 0.995 208 E CA 1.349 57.841 56.400 0.154 0.000 0.836 208 E CB -0.015 29.740 29.700 0.092 0.000 0.763 208 E HN 0.605 nan 8.360 nan 0.000 0.491 209 R N 0.602 121.196 120.500 0.156 0.000 2.096 209 R HA -0.024 4.254 4.340 -0.102 0.000 0.235 209 R C 2.320 178.716 176.300 0.160 0.000 1.127 209 R CA 1.451 57.639 56.100 0.146 0.000 0.968 209 R CB -1.219 29.152 30.300 0.118 0.000 0.861 209 R HN 0.524 nan 8.270 nan 0.000 0.440 210 A N -0.684 122.241 122.820 0.173 0.000 1.898 210 A HA -0.003 4.256 4.320 -0.102 0.000 0.216 210 A C 2.101 179.793 177.584 0.180 0.000 1.181 210 A CA 1.523 53.649 52.037 0.148 0.000 0.620 210 A CB -0.735 18.357 19.000 0.152 0.000 0.819 210 A HN 0.657 nan 8.150 nan 0.000 0.442 211 F N 0.429 120.441 119.950 0.103 0.000 2.113 211 F HA -0.085 4.369 4.527 -0.121 0.000 0.297 211 F C 2.140 178.042 175.800 0.170 0.000 1.103 211 F CA 2.086 60.157 58.000 0.119 0.000 1.248 211 F CB -0.185 38.852 39.000 0.062 0.000 0.999 211 F HN 0.092 nan 8.300 nan 0.000 0.475 212 K N 0.502 121.104 120.400 0.336 0.000 2.034 212 K HA -0.258 4.000 4.320 -0.102 0.000 0.214 212 K C 2.296 178.932 176.600 0.061 0.000 1.051 212 K CA 1.850 58.260 56.287 0.205 0.000 0.931 212 K CB -0.802 31.811 32.500 0.187 0.000 0.715 212 K HN 0.386 nan 8.250 nan 0.000 0.446 213 A N 0.401 123.266 122.820 0.074 0.000 1.884 213 A HA -0.254 4.004 4.320 -0.102 0.000 0.219 213 A C 1.977 179.529 177.584 -0.052 0.000 1.197 213 A CA 1.941 53.996 52.037 0.029 0.000 0.637 213 A CB -1.307 17.721 19.000 0.047 0.000 0.827 213 A HN 0.655 nan 8.150 nan 0.000 0.450 214 W N 0.405 121.573 121.300 -0.220 0.000 2.302 214 W HA -0.276 4.352 4.660 -0.053 0.000 0.320 214 W C 2.599 178.922 176.519 -0.326 0.000 1.241 214 W CA 3.046 60.207 57.345 -0.306 0.000 1.264 214 W CB -0.487 28.711 29.460 -0.436 0.000 1.154 214 W HN 0.411 nan 8.180 nan 0.000 0.483 215 A N -0.401 122.207 122.820 -0.354 0.000 1.865 215 A HA -0.222 4.036 4.320 -0.102 0.000 0.217 215 A C 2.064 179.466 177.584 -0.302 0.000 1.191 215 A CA 2.698 54.514 52.037 -0.369 0.000 0.623 215 A CB -1.398 17.504 19.000 -0.163 0.000 0.826 215 A HN 0.218 nan 8.150 nan 0.000 0.444 216 V N -0.106 119.709 119.914 -0.165 0.000 2.231 216 V HA -0.340 3.718 4.120 -0.102 0.000 0.250 216 V C 3.086 179.098 176.094 -0.136 0.000 1.058 216 V CA 2.384 64.640 62.300 -0.073 0.000 1.022 216 V CB -1.333 30.509 31.823 0.031 0.000 0.640 216 V HN 0.654 nan 8.190 nan 0.000 0.445 217 A N -0.304 122.374 122.820 -0.236 0.000 1.933 217 A HA -0.262 3.997 4.320 -0.102 0.000 0.218 217 A C 2.272 179.607 177.584 -0.414 0.000 1.175 217 A CA 2.232 54.092 52.037 -0.295 0.000 0.628 217 A CB -0.518 18.286 19.000 -0.326 0.000 0.814 217 A HN 0.480 nan 8.150 nan 0.000 0.444 218 R N 0.080 120.195 120.500 -0.641 0.000 2.062 218 R HA 0.073 4.352 4.340 -0.102 0.000 0.229 218 R C 1.908 177.916 176.300 -0.486 0.000 1.128 218 R CA 1.553 57.231 56.100 -0.703 0.000 0.960 218 R CB -0.783 28.810 30.300 -1.179 0.000 0.855 218 R HN 0.491 nan 8.270 nan 0.000 0.432 219 L N -0.005 120.978 121.223 -0.399 0.000 2.093 219 L HA -0.100 4.179 4.340 -0.102 0.000 0.208 219 L C 2.195 178.924 176.870 -0.235 0.000 1.085 219 L CA 1.509 56.145 54.840 -0.341 0.000 0.755 219 L CB -0.471 41.513 42.059 -0.124 0.000 0.904 219 L HN 0.194 nan 8.230 nan 0.000 0.435 220 S N -0.555 115.081 115.700 -0.107 0.000 2.399 220 S HA -0.206 4.202 4.470 -0.102 0.000 0.231 220 S C 1.931 176.449 174.600 -0.136 0.000 1.022 220 S CA 1.133 59.333 58.200 0.000 0.000 0.983 220 S CB -0.160 63.070 63.200 0.050 0.000 0.803 220 S HN 0.462 nan 8.310 nan 0.000 0.480 221 Q N 0.575 120.240 119.800 -0.226 0.000 2.079 221 Q HA -0.053 4.225 4.340 -0.102 0.000 0.200 221 Q C 2.666 178.523 176.000 -0.238 0.000 0.974 221 Q CA 0.965 56.632 55.803 -0.226 0.000 0.840 221 Q CB -0.109 28.485 28.738 -0.241 0.000 0.898 221 Q HN 0.310 nan 8.270 nan 0.000 0.430 222 R N -0.230 120.038 120.500 -0.386 0.000 2.075 222 R HA -0.045 4.234 4.340 -0.102 0.000 0.232 222 R C 0.262 176.370 176.300 -0.319 0.000 1.126 222 R CA 0.996 56.781 56.100 -0.525 0.000 0.963 222 R CB -0.204 29.481 30.300 -1.025 0.000 0.858 222 R HN 0.186 nan 8.270 nan 0.000 0.435 223 F N -0.029 119.902 119.950 -0.031 0.000 2.438 223 F HA 0.451 4.919 4.527 -0.099 0.000 0.315 223 F C -1.879 173.931 175.800 0.016 0.000 1.258 223 F CA -3.544 54.454 58.000 -0.002 0.000 1.180 223 F CB 1.043 40.055 39.000 0.020 0.000 1.412 223 F HN 0.067 nan 8.300 nan 0.000 0.544 224 P HA -0.172 nan 4.420 nan 0.000 0.218 224 P C 1.204 178.553 177.300 0.081 0.000 1.148 224 P CA 1.644 64.762 63.100 0.031 0.000 0.822 224 P CB 0.250 31.924 31.700 -0.043 0.000 0.784 225 K N -0.895 119.568 120.400 0.105 0.000 2.365 225 K HA 0.178 4.437 4.320 -0.102 0.000 0.197 225 K C 1.157 177.835 176.600 0.130 0.000 1.042 225 K CA 0.024 56.366 56.287 0.091 0.000 0.987 225 K CB -0.218 32.314 32.500 0.053 0.000 0.779 225 K HN 0.097 nan 8.250 nan 0.000 0.484 226 A N 2.003 124.930 122.820 0.178 0.000 2.429 226 A HA 0.023 4.281 4.320 -0.102 0.000 0.242 226 A C -0.107 177.608 177.584 0.218 0.000 1.088 226 A CA 0.058 52.193 52.037 0.163 0.000 0.784 226 A CB 0.239 19.356 19.000 0.194 0.000 1.038 226 A HN 0.153 nan 8.150 nan 0.000 0.501 227 E N -0.652 119.615 120.200 0.111 0.000 2.222 227 E HA 0.312 4.600 4.350 -0.102 0.000 0.272 227 E C 0.135 176.641 176.600 -0.158 0.000 0.982 227 E CA -0.596 55.837 56.400 0.055 0.000 0.842 227 E CB 1.013 30.741 29.700 0.047 0.000 1.144 227 E HN 0.592 nan 8.360 nan 0.000 0.397 228 F N 2.489 122.094 119.950 -0.574 0.000 2.120 228 F HA -0.266 4.199 4.527 -0.103 0.000 0.300 228 F C 1.905 177.527 175.800 -0.296 0.000 1.095 228 F CA 2.209 59.768 58.000 -0.734 0.000 1.249 228 F CB -0.275 38.355 39.000 -0.617 0.000 0.995 228 F HN 0.591 nan 8.300 nan 0.000 0.480 229 A N -0.667 122.021 122.820 -0.220 0.000 1.933 229 A HA -0.186 4.072 4.320 -0.102 0.000 0.218 229 A C 2.078 179.539 177.584 -0.204 0.000 1.175 229 A CA 1.746 53.651 52.037 -0.220 0.000 0.628 229 A CB -0.780 18.189 19.000 -0.051 0.000 0.814 229 A HN 0.443 nan 8.150 nan 0.000 0.444 230 E N 0.005 120.126 120.200 -0.131 0.000 2.015 230 E HA -0.097 4.192 4.350 -0.102 0.000 0.191 230 E C 1.964 178.516 176.600 -0.080 0.000 0.991 230 E CA 1.485 57.852 56.400 -0.055 0.000 0.802 230 E CB -0.597 29.107 29.700 0.006 0.000 0.759 230 E HN 0.199 nan 8.360 nan 0.000 0.447 231 V N 0.705 120.555 119.914 -0.106 0.000 2.231 231 V HA -0.359 3.700 4.120 -0.102 0.000 0.250 231 V C 2.349 178.351 176.094 -0.153 0.000 1.058 231 V CA 2.306 64.564 62.300 -0.069 0.000 1.022 231 V CB -0.978 30.808 31.823 -0.061 0.000 0.640 231 V HN 0.269 nan 8.190 nan 0.000 0.445 232 S N -0.607 114.883 115.700 -0.350 0.000 2.392 232 S HA -0.297 4.112 4.470 -0.102 0.000 0.232 232 S C 2.012 176.507 174.600 -0.176 0.000 1.041 232 S CA 1.802 59.806 58.200 -0.328 0.000 1.026 232 S CB -0.404 62.475 63.200 -0.535 0.000 0.845 232 S HN 0.519 nan 8.310 nan 0.000 0.465 233 K N 1.563 121.867 120.400 -0.160 0.000 2.002 233 K HA -0.029 4.230 4.320 -0.102 0.000 0.209 233 K C 2.034 178.565 176.600 -0.114 0.000 1.048 233 K CA 1.241 57.447 56.287 -0.135 0.000 0.930 233 K CB -0.597 31.819 32.500 -0.140 0.000 0.714 233 K HN 0.382 nan 8.250 nan 0.000 0.438 234 L N 0.734 121.917 121.223 -0.066 0.000 2.017 234 L HA -0.185 4.094 4.340 -0.102 0.000 0.208 234 L C 2.560 179.451 176.870 0.035 0.000 1.073 234 L CA 0.996 55.836 54.840 -0.000 0.000 0.745 234 L CB -0.588 41.525 42.059 0.090 0.000 0.894 234 L HN -0.065 nan 8.230 nan 0.000 0.432 235 V N -0.247 119.681 119.914 0.024 0.000 2.469 235 V HA -0.268 3.790 4.120 -0.102 0.000 0.251 235 V C 2.531 178.682 176.094 0.096 0.000 1.064 235 V CA 2.260 64.603 62.300 0.072 0.000 1.066 235 V CB -0.882 30.957 31.823 0.026 0.000 0.667 235 V HN 0.545 nan 8.190 nan 0.000 0.461 236 T N -0.601 113.969 114.554 0.028 0.000 2.770 236 T HA -0.150 4.138 4.350 -0.102 0.000 0.263 236 T C 1.601 176.322 174.700 0.035 0.000 1.039 236 T CA 1.511 63.627 62.100 0.027 0.000 1.142 236 T CB -0.301 68.555 68.868 -0.020 0.000 0.868 236 T HN 0.464 nan 8.240 nan 0.000 0.435 237 D N 1.244 121.649 120.400 0.008 0.000 2.077 237 D HA -0.019 4.559 4.640 -0.102 0.000 0.196 237 D C 2.133 178.470 176.300 0.061 0.000 0.986 237 D CA 0.548 54.552 54.000 0.007 0.000 0.829 237 D CB -0.747 40.029 40.800 -0.040 0.000 0.983 237 D HN 0.089 nan 8.370 nan 0.000 0.453 238 L N 1.179 122.471 121.223 0.115 0.000 2.034 238 L HA -0.235 4.043 4.340 -0.102 0.000 0.217 238 L C 2.228 179.251 176.870 0.255 0.000 1.077 238 L CA 1.917 56.881 54.840 0.206 0.000 0.769 238 L CB -1.125 41.111 42.059 0.295 0.000 0.890 238 L HN 0.009 nan 8.230 nan 0.000 0.435 239 T N -1.062 113.650 114.554 0.264 0.000 2.684 239 T HA -0.270 4.019 4.350 -0.102 0.000 0.267 239 T C 2.028 176.706 174.700 -0.037 0.000 1.036 239 T CA 1.892 64.051 62.100 0.099 0.000 1.148 239 T CB -0.280 68.690 68.868 0.170 0.000 0.863 239 T HN 0.341 nan 8.240 nan 0.000 0.436 240 K N 0.711 121.118 120.400 0.011 0.000 2.032 240 K HA -0.112 4.147 4.320 -0.102 0.000 0.209 240 K C 2.386 178.977 176.600 -0.016 0.000 1.048 240 K CA 1.404 57.685 56.287 -0.011 0.000 0.927 240 K CB -1.123 31.375 32.500 -0.003 0.000 0.712 240 K HN 0.338 nan 8.250 nan 0.000 0.441 241 V N 1.157 121.067 119.914 -0.007 0.000 2.220 241 V HA -0.321 3.737 4.120 -0.102 0.000 0.250 241 V C 2.627 178.699 176.094 -0.037 0.000 1.056 241 V CA 2.480 64.764 62.300 -0.028 0.000 1.016 241 V CB -0.843 30.951 31.823 -0.049 0.000 0.639 241 V HN 0.635 nan 8.190 nan 0.000 0.446 242 H N 0.088 119.143 119.070 -0.025 0.000 2.352 242 H HA -0.146 4.349 4.556 -0.101 0.000 0.299 242 H C 2.486 177.747 175.328 -0.113 0.000 1.097 242 H CA 2.115 58.110 56.048 -0.087 0.000 1.311 242 H CB -0.617 28.953 29.762 -0.319 0.000 1.377 242 H HN 0.456 nan 8.280 nan 0.000 0.504 243 T N 0.889 115.415 114.554 -0.046 0.000 2.759 243 T HA -0.142 4.147 4.350 -0.102 0.000 0.269 243 T C 1.897 176.613 174.700 0.026 0.000 1.042 243 T CA 1.539 63.613 62.100 -0.043 0.000 1.140 243 T CB -0.063 68.764 68.868 -0.069 0.000 0.864 243 T HN 0.532 nan 8.240 nan 0.000 0.455 244 E N -0.074 120.138 120.200 0.020 0.000 2.046 244 E HA -0.054 4.235 4.350 -0.102 0.000 0.190 244 E C 2.462 179.093 176.600 0.052 0.000 0.982 244 E CA 0.874 57.297 56.400 0.037 0.000 0.800 244 E CB -0.260 29.439 29.700 -0.001 0.000 0.756 244 E HN 0.384 nan 8.360 nan 0.000 0.449 245 c N 0.373 119.002 118.600 0.050 0.000 2.435 245 c HA -0.107 4.402 4.570 -0.102 0.000 0.279 245 c C 2.679 176.817 174.090 0.079 0.000 1.321 245 c CA 0.318 56.677 56.329 0.050 0.000 1.752 245 c CB -0.712 41.877 42.510 0.131 0.000 1.959 245 c HN 0.601 nan 8.230 nan 0.000 0.500 246 c N -1.897 116.777 118.600 0.124 0.000 2.495 246 c HA -0.020 4.489 4.570 -0.102 0.000 0.275 246 c C 2.214 176.384 174.090 0.134 0.000 1.392 246 c CA 0.728 57.147 56.329 0.150 0.000 1.766 246 c CB -1.827 40.771 42.510 0.147 0.000 1.933 246 c HN 0.761 nan 8.230 nan 0.000 0.519 247 H N -0.032 119.057 119.070 0.031 0.000 2.539 247 H HA 0.282 4.776 4.556 -0.104 0.000 0.267 247 H C 1.672 177.023 175.328 0.039 0.000 0.982 247 H CA 0.901 56.975 56.048 0.043 0.000 1.146 247 H CB -0.212 29.583 29.762 0.055 0.000 1.382 247 H HN 0.388 nan 8.280 nan 0.000 0.577 248 G N 0.453 109.235 108.800 -0.030 0.000 2.175 248 G HA2 -0.242 3.657 3.960 -0.102 0.000 0.244 248 G HA3 -0.242 3.657 3.960 -0.102 0.000 0.244 248 G C -0.200 174.638 174.900 -0.104 0.000 0.982 248 G CA 0.220 45.218 45.100 -0.171 0.000 0.641 248 G HN 0.498 nan 8.290 nan 0.000 0.527 249 D N 1.440 121.845 120.400 0.008 0.000 2.713 249 D HA 0.324 4.903 4.640 -0.102 0.000 0.229 249 D C 2.123 178.341 176.300 -0.137 0.000 1.136 249 D CA -0.294 53.662 54.000 -0.074 0.000 1.010 249 D CB 0.036 40.849 40.800 0.021 0.000 1.084 249 D HN 0.369 nan 8.370 nan 0.000 0.495 250 L N -0.194 120.898 121.223 -0.219 0.000 2.012 250 L HA -0.206 4.073 4.340 -0.102 0.000 0.210 250 L C 2.337 179.104 176.870 -0.171 0.000 1.073 250 L CA 1.021 55.738 54.840 -0.205 0.000 0.748 250 L CB -0.394 41.514 42.059 -0.253 0.000 0.891 250 L HN 0.276 nan 8.230 nan 0.000 0.431 251 L N -0.108 121.008 121.223 -0.177 0.000 1.970 251 L HA -0.215 4.063 4.340 -0.102 0.000 0.212 251 L C 2.904 179.725 176.870 -0.082 0.000 1.071 251 L CA 1.532 56.303 54.840 -0.114 0.000 0.751 251 L CB -0.888 41.127 42.059 -0.074 0.000 0.889 251 L HN 0.400 nan 8.230 nan 0.000 0.432 252 E N 0.052 120.197 120.200 -0.091 0.000 2.110 252 E HA -0.282 4.007 4.350 -0.102 0.000 0.193 252 E C 2.363 178.928 176.600 -0.058 0.000 0.988 252 E CA 1.675 58.027 56.400 -0.080 0.000 0.804 252 E CB -1.287 28.361 29.700 -0.086 0.000 0.745 252 E HN 0.588 nan 8.360 nan 0.000 0.458 253 c N 1.806 120.367 118.600 -0.065 0.000 2.413 253 c HA -0.008 4.500 4.570 -0.102 0.000 0.276 253 c C 3.097 177.157 174.090 -0.051 0.000 1.236 253 c CA 1.793 58.091 56.329 -0.052 0.000 1.735 253 c CB -1.144 41.324 42.510 -0.070 0.000 2.031 253 c HN 0.560 nan 8.230 nan 0.000 0.474 254 A N -0.279 122.495 122.820 -0.076 0.000 1.902 254 A HA -0.161 4.097 4.320 -0.102 0.000 0.217 254 A C 2.071 179.648 177.584 -0.011 0.000 1.181 254 A CA 2.168 54.169 52.037 -0.059 0.000 0.623 254 A CB -0.855 18.103 19.000 -0.070 0.000 0.818 254 A HN 0.717 nan 8.150 nan 0.000 0.443 255 D N 0.156 120.550 120.400 -0.009 0.000 2.077 255 D HA -0.149 4.430 4.640 -0.102 0.000 0.193 255 D C 1.319 177.634 176.300 0.025 0.000 0.989 255 D CA 1.468 55.478 54.000 0.017 0.000 0.831 255 D CB -0.324 40.478 40.800 0.003 0.000 0.979 255 D HN 0.352 nan 8.370 nan 0.000 0.449 256 D N 0.221 120.627 120.400 0.010 0.000 2.190 256 D HA -0.177 4.401 4.640 -0.102 0.000 0.200 256 D C 2.103 178.423 176.300 0.033 0.000 0.992 256 D CA 0.504 54.515 54.000 0.018 0.000 0.854 256 D CB -0.161 40.641 40.800 0.003 0.000 0.936 256 D HN 0.209 nan 8.370 nan 0.000 0.462 257 R N 0.712 121.234 120.500 0.036 0.000 2.092 257 R HA -0.061 4.218 4.340 -0.102 0.000 0.231 257 R C 2.042 178.385 176.300 0.072 0.000 1.119 257 R CA 1.144 57.282 56.100 0.064 0.000 0.970 257 R CB -0.135 30.216 30.300 0.085 0.000 0.864 257 R HN 0.118 nan 8.270 nan 0.000 0.440 258 A N 1.164 124.022 122.820 0.063 0.000 1.873 258 A HA -0.149 4.110 4.320 -0.102 0.000 0.215 258 A C 1.643 179.273 177.584 0.076 0.000 1.186 258 A CA 1.641 53.719 52.037 0.070 0.000 0.616 258 A CB -0.416 18.623 19.000 0.064 0.000 0.823 258 A HN 0.269 nan 8.150 nan 0.000 0.442 259 D N -0.329 120.115 120.400 0.072 0.000 2.149 259 D HA -0.146 4.432 4.640 -0.102 0.000 0.198 259 D C 1.752 178.114 176.300 0.103 0.000 0.990 259 D CA 1.176 55.225 54.000 0.082 0.000 0.839 259 D CB -0.369 40.472 40.800 0.067 0.000 0.948 259 D HN 0.337 nan 8.370 nan 0.000 0.460 260 L N 0.642 121.917 121.223 0.087 0.000 2.093 260 L HA 0.014 4.293 4.340 -0.102 0.000 0.208 260 L C 2.042 178.998 176.870 0.142 0.000 1.085 260 L CA 1.462 56.363 54.840 0.102 0.000 0.755 260 L CB -0.741 41.363 42.059 0.075 0.000 0.904 260 L HN -0.030 nan 8.230 nan 0.000 0.435 261 A N -0.633 122.254 122.820 0.113 0.000 1.968 261 A HA -0.193 4.066 4.320 -0.102 0.000 0.217 261 A C 2.403 180.042 177.584 0.092 0.000 1.169 261 A CA 1.548 53.645 52.037 0.100 0.000 0.638 261 A CB -0.526 18.524 19.000 0.084 0.000 0.812 261 A HN 0.502 nan 8.150 nan 0.000 0.446 262 K N -1.359 119.100 120.400 0.099 0.000 2.009 262 K HA -0.240 4.018 4.320 -0.102 0.000 0.210 262 K C 1.947 178.599 176.600 0.087 0.000 1.049 262 K CA 1.932 58.269 56.287 0.082 0.000 0.929 262 K CB -0.518 32.034 32.500 0.088 0.000 0.714 262 K HN 0.458 nan 8.250 nan 0.000 0.440 263 Y N 1.732 122.039 120.300 0.012 0.000 2.030 263 Y HA -0.259 4.229 4.550 -0.103 0.000 0.274 263 Y C 2.034 177.924 175.900 -0.016 0.000 1.153 263 Y CA 2.266 60.366 58.100 0.001 0.000 1.115 263 Y CB -0.373 38.090 38.460 0.005 0.000 0.969 263 Y HN 0.061 nan 8.280 nan 0.000 0.488 264 I N -0.674 120.011 120.570 0.192 0.000 2.236 264 I HA -0.466 3.643 4.170 -0.102 0.000 0.249 264 I C 2.435 178.495 176.117 -0.094 0.000 1.102 264 I CA 1.562 62.887 61.300 0.043 0.000 1.365 264 I CB -0.727 37.325 38.000 0.086 0.000 1.051 264 I HN 0.429 nan 8.210 nan 0.000 0.420 265 c N 0.327 118.891 118.600 -0.060 0.000 2.467 265 c HA -0.059 4.450 4.570 -0.102 0.000 0.279 265 c C 2.595 176.619 174.090 -0.110 0.000 1.347 265 c CA 0.352 56.639 56.329 -0.070 0.000 1.748 265 c CB -0.845 41.650 42.510 -0.025 0.000 1.977 265 c HN 0.490 nan 8.230 nan 0.000 0.501 266 E N 1.449 121.559 120.200 -0.149 0.000 2.017 266 E HA -0.157 4.132 4.350 -0.102 0.000 0.193 266 E C 0.798 177.264 176.600 -0.223 0.000 0.997 266 E CA 1.242 57.539 56.400 -0.173 0.000 0.804 266 E CB -0.296 29.284 29.700 -0.200 0.000 0.757 266 E HN 0.660 nan 8.360 nan 0.000 0.448 267 N N 1.349 119.832 118.700 -0.361 0.000 2.441 267 N HA -0.020 4.658 4.740 -0.102 0.000 0.225 267 N C 0.817 176.191 175.510 -0.226 0.000 1.208 267 N CA 0.003 52.860 53.050 -0.323 0.000 0.847 267 N CB 0.156 38.349 38.487 -0.489 0.000 1.121 267 N HN 0.172 nan 8.380 nan 0.000 0.479 268 Q N 0.830 120.522 119.800 -0.181 0.000 2.047 268 Q HA -0.253 4.026 4.340 -0.102 0.000 0.211 268 Q C 0.672 176.587 176.000 -0.141 0.000 1.005 268 Q CA 1.786 57.497 55.803 -0.153 0.000 0.866 268 Q CB 0.016 28.689 28.738 -0.108 0.000 0.938 268 Q HN 0.530 nan 8.270 nan 0.000 0.414 269 D N -0.496 119.840 120.400 -0.107 0.000 2.190 269 D HA -0.120 4.458 4.640 -0.102 0.000 0.200 269 D C 1.819 178.071 176.300 -0.081 0.000 0.992 269 D CA 1.271 55.222 54.000 -0.081 0.000 0.854 269 D CB -0.128 40.634 40.800 -0.063 0.000 0.936 269 D HN 0.170 nan 8.370 nan 0.000 0.462 270 S N -0.095 115.546 115.700 -0.098 0.000 2.489 270 S HA 0.031 4.439 4.470 -0.102 0.000 0.228 270 S C 1.994 176.540 174.600 -0.090 0.000 0.995 270 S CA 0.306 58.460 58.200 -0.077 0.000 0.934 270 S CB 0.345 63.501 63.200 -0.074 0.000 0.771 270 S HN 0.232 nan 8.310 nan 0.000 0.522 271 I N -0.797 119.671 120.570 -0.170 0.000 3.341 271 I HA 0.199 4.308 4.170 -0.102 0.000 0.243 271 I C 0.857 176.785 176.117 -0.315 0.000 1.094 271 I CA 0.210 61.334 61.300 -0.294 0.000 1.507 271 I CB 0.251 37.941 38.000 -0.516 0.000 1.441 271 I HN 0.089 nan 8.210 nan 0.000 0.465 272 S N -0.892 114.602 115.700 -0.344 0.000 2.588 272 S HA 0.338 4.746 4.470 -0.102 0.000 0.275 272 S C 0.354 174.900 174.600 -0.089 0.000 1.130 272 S CA -0.112 57.993 58.200 -0.159 0.000 0.855 272 S CB 1.531 64.666 63.200 -0.108 0.000 1.116 272 S HN 0.252 nan 8.310 nan 0.000 0.472 273 S N 1.715 117.402 115.700 -0.023 0.000 2.556 273 S HA 0.262 4.671 4.470 -0.102 0.000 0.216 273 S C 0.584 175.182 174.600 -0.003 0.000 0.970 273 S CA -0.259 57.930 58.200 -0.019 0.000 0.912 273 S CB -0.171 63.024 63.200 -0.008 0.000 0.790 273 S HN 0.639 nan 8.310 nan 0.000 0.504 274 K N 0.944 121.355 120.400 0.019 0.000 2.397 274 K HA 0.366 4.625 4.320 -0.102 0.000 0.202 274 K C 0.812 177.430 176.600 0.031 0.000 1.022 274 K CA -0.072 56.235 56.287 0.033 0.000 1.141 274 K CB 0.080 32.614 32.500 0.057 0.000 0.857 274 K HN 0.396 nan 8.250 nan 0.000 0.514 275 L N 1.011 122.235 121.223 0.002 0.000 2.375 275 L HA -0.079 4.200 4.340 -0.102 0.000 0.215 275 L C 2.769 179.635 176.870 -0.007 0.000 1.108 275 L CA 0.679 55.515 54.840 -0.007 0.000 0.830 275 L CB -0.673 41.348 42.059 -0.062 0.000 0.959 275 L HN 0.144 nan 8.230 nan 0.000 0.457 276 K N 0.995 121.388 120.400 -0.011 0.000 2.013 276 K HA -0.342 3.917 4.320 -0.102 0.000 0.225 276 K C 2.132 178.735 176.600 0.005 0.000 1.056 276 K CA 2.665 58.947 56.287 -0.007 0.000 0.971 276 K CB -1.783 30.714 32.500 -0.006 0.000 0.731 276 K HN 0.462 nan 8.250 nan 0.000 0.450 277 E N -0.247 119.960 120.200 0.012 0.000 2.233 277 E HA -0.185 4.104 4.350 -0.102 0.000 0.199 277 E C 2.299 178.915 176.600 0.027 0.000 1.004 277 E CA 1.724 58.136 56.400 0.020 0.000 0.819 277 E CB -1.486 28.228 29.700 0.024 0.000 0.738 277 E HN 0.738 nan 8.360 nan 0.000 0.478 278 c N -0.806 117.809 118.600 0.025 0.000 2.466 278 c HA -0.019 4.490 4.570 -0.102 0.000 0.278 278 c C 2.688 176.796 174.090 0.029 0.000 1.288 278 c CA 0.709 57.056 56.329 0.030 0.000 1.722 278 c CB -0.751 41.776 42.510 0.028 0.000 2.017 278 c HN 0.819 nan 8.230 nan 0.000 0.488 279 c N 0.962 119.572 118.600 0.017 0.000 2.539 279 c HA 0.045 4.554 4.570 -0.102 0.000 0.271 279 c C 1.685 175.786 174.090 0.018 0.000 1.412 279 c CA 0.423 56.761 56.329 0.014 0.000 1.729 279 c CB -1.538 40.970 42.510 -0.004 0.000 1.739 279 c HN 0.568 nan 8.230 nan 0.000 0.570 280 E N 1.466 121.679 120.200 0.023 0.000 2.451 280 E HA 0.097 4.385 4.350 -0.102 0.000 0.194 280 E C 0.358 176.978 176.600 0.034 0.000 1.027 280 E CA 0.232 56.646 56.400 0.024 0.000 0.914 280 E CB 0.157 29.869 29.700 0.020 0.000 1.054 280 E HN 0.781 nan 8.360 nan 0.000 0.461 281 K N -0.415 120.011 120.400 0.043 0.000 2.439 281 K HA 0.627 4.885 4.320 -0.102 0.000 0.260 281 K C -2.937 173.701 176.600 0.063 0.000 1.032 281 K CA -2.313 54.007 56.287 0.055 0.000 0.882 281 K CB 0.266 32.807 32.500 0.067 0.000 1.420 281 K HN -0.329 nan 8.250 nan 0.000 0.455 282 P HA -0.099 nan 4.420 nan 0.000 0.264 282 P C 0.719 178.076 177.300 0.096 0.000 1.183 282 P CA -0.307 62.841 63.100 0.080 0.000 0.763 282 P CB 0.330 32.080 31.700 0.084 0.000 0.807 283 L N 5.317 126.592 121.223 0.086 0.000 2.017 283 L HA -0.287 3.991 4.340 -0.102 0.000 0.234 283 L C 1.818 178.758 176.870 0.116 0.000 1.097 283 L CA 2.137 57.031 54.840 0.090 0.000 0.816 283 L CB -1.525 40.584 42.059 0.083 0.000 0.914 283 L HN 0.364 nan 8.230 nan 0.000 0.444 284 L N -0.983 120.329 121.223 0.149 0.000 2.051 284 L HA -0.273 4.005 4.340 -0.102 0.000 0.214 284 L C 2.595 179.621 176.870 0.259 0.000 1.076 284 L CA 2.173 57.148 54.840 0.224 0.000 0.758 284 L CB -0.929 41.296 42.059 0.276 0.000 0.890 284 L HN 0.476 nan 8.230 nan 0.000 0.433 285 E N -0.395 119.962 120.200 0.262 0.000 2.216 285 E HA -0.160 4.129 4.350 -0.102 0.000 0.192 285 E C 2.066 178.727 176.600 0.101 0.000 0.988 285 E CA 0.607 57.153 56.400 0.244 0.000 0.834 285 E CB 0.039 29.896 29.700 0.263 0.000 0.772 285 E HN 0.301 nan 8.360 nan 0.000 0.479 286 K N 0.145 120.601 120.400 0.093 0.000 2.025 286 K HA -0.070 4.189 4.320 -0.102 0.000 0.207 286 K C 2.153 178.780 176.600 0.045 0.000 1.049 286 K CA 1.502 57.827 56.287 0.064 0.000 0.933 286 K CB -0.103 32.435 32.500 0.064 0.000 0.714 286 K HN -0.053 nan 8.250 nan 0.000 0.438 287 S N -0.307 115.426 115.700 0.054 0.000 2.359 287 S HA -0.205 4.204 4.470 -0.102 0.000 0.224 287 S C 1.793 176.393 174.600 -0.000 0.000 1.035 287 S CA 1.688 59.919 58.200 0.052 0.000 1.018 287 S CB -0.506 62.749 63.200 0.091 0.000 0.876 287 S HN 0.549 nan 8.310 nan 0.000 0.448 288 H N -0.419 118.521 119.070 -0.216 0.000 2.456 288 H HA -0.053 4.439 4.556 -0.108 0.000 0.296 288 H C 2.303 177.492 175.328 -0.232 0.000 1.079 288 H CA 1.572 57.391 56.048 -0.381 0.000 1.322 288 H CB -0.458 28.631 29.762 -1.121 0.000 1.388 288 H HN 0.449 nan 8.280 nan 0.000 0.538 289 c N -0.477 118.045 118.600 -0.129 0.000 2.500 289 c HA 0.017 4.526 4.570 -0.102 0.000 0.279 289 c C 2.665 176.717 174.090 -0.063 0.000 1.288 289 c CA 0.629 56.910 56.329 -0.080 0.000 1.710 289 c CB -1.204 41.313 42.510 0.012 0.000 2.052 289 c HN 0.692 nan 8.230 nan 0.000 0.488 290 I N 1.833 122.395 120.570 -0.013 0.000 2.163 290 I HA -0.178 3.931 4.170 -0.102 0.000 0.243 290 I C 2.838 178.978 176.117 0.038 0.000 1.085 290 I CA 1.796 63.127 61.300 0.051 0.000 1.347 290 I CB -0.645 37.404 38.000 0.081 0.000 1.044 290 I HN 0.413 nan 8.210 nan 0.000 0.408 291 A N -0.234 122.567 122.820 -0.032 0.000 2.125 291 A HA -0.131 4.127 4.320 -0.102 0.000 0.219 291 A C 1.876 179.396 177.584 -0.106 0.000 1.156 291 A CA 1.396 53.401 52.037 -0.053 0.000 0.671 291 A CB -0.238 18.718 19.000 -0.073 0.000 0.794 291 A HN 0.423 nan 8.150 nan 0.000 0.459 292 E N -0.753 119.350 120.200 -0.161 0.000 2.603 292 E HA 0.159 4.448 4.350 -0.102 0.000 0.211 292 E C -0.302 176.248 176.600 -0.084 0.000 0.995 292 E CA -0.191 56.116 56.400 -0.154 0.000 0.990 292 E CB 0.526 30.063 29.700 -0.272 0.000 1.036 292 E HN 0.249 nan 8.360 nan 0.000 0.475 293 V N 2.233 122.123 119.914 -0.040 0.000 2.655 293 V HA 0.171 4.229 4.120 -0.102 0.000 0.300 293 V C 0.339 176.426 176.094 -0.012 0.000 1.044 293 V CA 0.467 62.772 62.300 0.007 0.000 1.095 293 V CB 0.598 32.475 31.823 0.090 0.000 0.952 293 V HN 0.374 nan 8.190 nan 0.000 0.485 294 E N 5.578 125.775 120.200 -0.006 0.000 2.422 294 E HA 0.147 4.435 4.350 -0.102 0.000 0.260 294 E C 0.203 176.791 176.600 -0.021 0.000 1.108 294 E CA -0.208 56.176 56.400 -0.025 0.000 0.943 294 E CB 0.027 29.718 29.700 -0.014 0.000 0.961 294 E HN 0.892 nan 8.360 nan 0.000 0.443 295 N N 2.022 120.686 118.700 -0.059 0.000 2.479 295 N HA 0.079 4.757 4.740 -0.102 0.000 0.257 295 N C -0.357 175.155 175.510 0.004 0.000 1.232 295 N CA -0.316 52.698 53.050 -0.060 0.000 0.920 295 N CB 0.612 39.038 38.487 -0.101 0.000 1.105 295 N HN 0.698 nan 8.380 nan 0.000 0.444 296 D N 0.504 120.938 120.400 0.057 0.000 2.360 296 D HA 0.174 4.753 4.640 -0.102 0.000 0.242 296 D C 0.154 176.459 176.300 0.009 0.000 1.184 296 D CA -0.029 54.007 54.000 0.060 0.000 0.930 296 D CB 0.524 41.390 40.800 0.110 0.000 1.161 296 D HN 0.560 nan 8.370 nan 0.000 0.447 297 E N 1.063 121.264 120.200 0.000 0.000 2.404 297 E HA 0.144 4.433 4.350 -0.102 0.000 0.261 297 E C 0.216 176.798 176.600 -0.031 0.000 1.074 297 E CA -0.189 56.198 56.400 -0.022 0.000 0.917 297 E CB 0.190 29.879 29.700 -0.019 0.000 0.965 297 E HN 0.557 nan 8.360 nan 0.000 0.433 298 M N 2.241 121.808 119.600 -0.056 0.000 2.200 298 M HA 0.280 4.699 4.480 -0.102 0.000 0.355 298 M C -2.160 174.102 176.300 -0.062 0.000 1.283 298 M CA -1.477 53.778 55.300 -0.075 0.000 1.124 298 M CB 0.884 33.415 32.600 -0.115 0.000 1.625 298 M HN 0.312 nan 8.290 nan 0.000 0.463 299 P HA -0.019 nan 4.420 nan 0.000 0.261 299 P C -0.306 176.963 177.300 -0.051 0.000 1.173 299 P CA 0.058 63.134 63.100 -0.040 0.000 0.760 299 P CB 0.553 32.234 31.700 -0.031 0.000 0.783 300 A N 3.685 126.482 122.820 -0.038 0.000 2.021 300 A HA -0.085 4.174 4.320 -0.102 0.000 0.206 300 A C 1.273 178.830 177.584 -0.044 0.000 1.210 300 A CA 1.983 53.997 52.037 -0.039 0.000 0.733 300 A CB -1.863 17.120 19.000 -0.027 0.000 0.839 300 A HN 0.605 nan 8.150 nan 0.000 0.495 301 D N -0.280 120.100 120.400 -0.034 0.000 2.374 301 D HA 0.541 5.119 4.640 -0.102 0.000 0.240 301 D C -0.502 175.776 176.300 -0.036 0.000 1.229 301 D CA -0.044 53.936 54.000 -0.033 0.000 0.895 301 D CB -0.258 40.529 40.800 -0.022 0.000 1.046 301 D HN 0.392 nan 8.370 nan 0.000 0.498 302 L N 2.912 124.103 121.223 -0.053 0.000 2.322 302 L HA 0.522 4.801 4.340 -0.102 0.000 0.281 302 L C -1.492 175.346 176.870 -0.052 0.000 1.014 302 L CA -1.544 53.261 54.840 -0.059 0.000 0.815 302 L CB 2.314 44.316 42.059 -0.096 0.000 1.247 302 L HN 0.511 nan 8.230 nan 0.000 0.421 303 P HA 0.054 nan 4.420 nan 0.000 0.271 303 P C -0.491 176.794 177.300 -0.024 0.000 1.233 303 P CA -0.365 62.723 63.100 -0.020 0.000 0.789 303 P CB 0.983 32.681 31.700 -0.003 0.000 0.951 304 S N -0.195 115.501 115.700 -0.007 0.000 2.565 304 S HA 0.133 4.541 4.470 -0.102 0.000 0.274 304 S C 1.541 176.178 174.600 0.061 0.000 1.309 304 S CA -0.672 57.532 58.200 0.008 0.000 1.043 304 S CB -0.095 63.113 63.200 0.013 0.000 0.939 304 S HN 0.389 nan 8.310 nan 0.000 0.504 305 L N 4.417 125.699 121.223 0.098 0.000 2.079 305 L HA -0.110 4.169 4.340 -0.102 0.000 0.210 305 L C 2.808 179.884 176.870 0.343 0.000 1.081 305 L CA 1.680 56.678 54.840 0.262 0.000 0.752 305 L CB -0.738 41.447 42.059 0.210 0.000 0.896 305 L HN 0.884 nan 8.230 nan 0.000 0.433 306 A N -0.035 122.878 122.820 0.156 0.000 1.948 306 A HA -0.283 3.975 4.320 -0.102 0.000 0.220 306 A C 2.502 180.104 177.584 0.029 0.000 1.177 306 A CA 1.902 53.905 52.037 -0.057 0.000 0.636 306 A CB -0.819 18.059 19.000 -0.205 0.000 0.815 306 A HN 0.449 nan 8.150 nan 0.000 0.449 307 A N 0.559 123.404 122.820 0.042 0.000 1.859 307 A HA -0.272 3.987 4.320 -0.102 0.000 0.218 307 A C 1.612 179.189 177.584 -0.012 0.000 1.242 307 A CA 2.001 54.047 52.037 0.016 0.000 0.661 307 A CB -0.786 18.219 19.000 0.008 0.000 0.842 307 A HN 0.537 nan 8.150 nan 0.000 0.455 308 D N -1.964 118.376 120.400 -0.101 0.000 2.340 308 D HA 0.135 4.714 4.640 -0.102 0.000 0.220 308 D C 0.720 176.745 176.300 -0.459 0.000 1.039 308 D CA 0.509 54.324 54.000 -0.307 0.000 0.866 308 D CB -0.020 40.482 40.800 -0.497 0.000 0.913 308 D HN 0.495 nan 8.370 nan 0.000 0.523 309 F N -0.134 119.934 119.950 0.198 0.000 2.752 309 F HA 0.045 4.512 4.527 -0.100 0.000 0.310 309 F C 1.915 177.837 175.800 0.204 0.000 1.097 309 F CA -0.109 58.063 58.000 0.287 0.000 1.238 309 F CB 0.547 39.721 39.000 0.291 0.000 1.061 309 F HN -0.122 nan 8.300 nan 0.000 0.591 310 V N -4.633 115.406 119.914 0.208 0.000 3.305 310 V HA 0.280 4.338 4.120 -0.102 0.000 0.247 310 V C 1.373 177.557 176.094 0.151 0.000 1.426 310 V CA 0.291 62.662 62.300 0.119 0.000 1.162 310 V CB 0.264 32.040 31.823 -0.077 0.000 0.961 310 V HN 0.072 nan 8.190 nan 0.000 0.449 311 E N 1.678 121.942 120.200 0.106 0.000 2.102 311 E HA 0.148 4.436 4.350 -0.102 0.000 0.190 311 E C 1.327 178.067 176.600 0.233 0.000 0.971 311 E CA 0.754 57.254 56.400 0.167 0.000 0.821 311 E CB 0.224 29.979 29.700 0.091 0.000 0.777 311 E HN 0.587 nan 8.360 nan 0.000 0.460 312 S N 0.087 115.875 115.700 0.146 0.000 2.550 312 S HA -0.005 4.404 4.470 -0.102 0.000 0.285 312 S C 0.954 175.688 174.600 0.224 0.000 1.326 312 S CA 0.846 59.121 58.200 0.125 0.000 1.037 312 S CB 1.071 64.299 63.200 0.048 0.000 0.838 312 S HN 0.243 nan 8.310 nan 0.000 0.519 313 K N 1.741 122.244 120.400 0.172 0.000 2.361 313 K HA 0.158 4.416 4.320 -0.102 0.000 0.194 313 K C 0.992 177.677 176.600 0.141 0.000 1.032 313 K CA 0.804 57.214 56.287 0.204 0.000 1.048 313 K CB -0.280 32.279 32.500 0.098 0.000 0.842 313 K HN 0.786 nan 8.250 nan 0.000 0.526 314 D N 0.471 120.917 120.400 0.077 0.000 2.328 314 D HA 0.057 4.635 4.640 -0.102 0.000 0.221 314 D C 1.556 177.830 176.300 -0.044 0.000 1.072 314 D CA 0.198 54.209 54.000 0.019 0.000 0.850 314 D CB 0.415 41.212 40.800 -0.004 0.000 0.922 314 D HN 0.135 nan 8.370 nan 0.000 0.516 315 V N 0.664 120.564 119.914 -0.023 0.000 2.215 315 V HA -0.380 3.679 4.120 -0.102 0.000 0.249 315 V C 2.645 178.580 176.094 -0.265 0.000 1.054 315 V CA 1.735 63.928 62.300 -0.178 0.000 1.012 315 V CB -0.866 30.790 31.823 -0.279 0.000 0.639 315 V HN 0.345 nan 8.190 nan 0.000 0.448 316 c N -0.004 118.540 118.600 -0.094 0.000 2.403 316 c HA -0.196 4.313 4.570 -0.102 0.000 0.277 316 c C 3.171 177.245 174.090 -0.027 0.000 1.248 316 c CA 1.564 57.887 56.329 -0.011 0.000 1.762 316 c CB -1.508 41.059 42.510 0.095 0.000 2.014 316 c HN 0.741 nan 8.230 nan 0.000 0.486 317 K N 0.894 121.262 120.400 -0.054 0.000 2.026 317 K HA -0.165 4.094 4.320 -0.102 0.000 0.208 317 K C 1.651 178.180 176.600 -0.120 0.000 1.048 317 K CA 1.929 58.180 56.287 -0.060 0.000 0.929 317 K CB -0.987 31.490 32.500 -0.038 0.000 0.713 317 K HN 0.649 nan 8.250 nan 0.000 0.439 318 N N -0.783 117.782 118.700 -0.225 0.000 2.166 318 N HA -0.122 4.557 4.740 -0.102 0.000 0.186 318 N C 1.761 177.055 175.510 -0.360 0.000 1.019 318 N CA 1.556 54.423 53.050 -0.304 0.000 0.856 318 N CB -0.342 37.878 38.487 -0.446 0.000 0.993 318 N HN 0.587 nan 8.380 nan 0.000 0.426 319 Y N 1.881 121.777 120.300 -0.672 0.000 2.181 319 Y HA -0.119 4.370 4.550 -0.103 0.000 0.288 319 Y C 2.298 178.120 175.900 -0.132 0.000 1.146 319 Y CA 1.314 59.175 58.100 -0.399 0.000 1.164 319 Y CB -0.559 37.708 38.460 -0.322 0.000 0.982 319 Y HN 0.056 nan 8.280 nan 0.000 0.515 320 A N 0.168 122.868 122.820 -0.199 0.000 1.929 320 A HA -0.062 4.197 4.320 -0.102 0.000 0.216 320 A C 2.211 179.705 177.584 -0.151 0.000 1.176 320 A CA 2.016 53.919 52.037 -0.223 0.000 0.628 320 A CB -1.341 17.595 19.000 -0.106 0.000 0.816 320 A HN 0.555 nan 8.150 nan 0.000 0.444 321 E N -0.290 119.854 120.200 -0.095 0.000 2.007 321 E HA 0.239 4.528 4.350 -0.102 0.000 0.194 321 E C 1.199 177.789 176.600 -0.017 0.000 0.999 321 E CA 1.550 57.925 56.400 -0.042 0.000 0.811 321 E CB -0.665 29.025 29.700 -0.016 0.000 0.762 321 E HN 1.474 nan 8.360 nan 0.000 0.450 322 A N 0.188 123.021 122.820 0.021 0.000 3.082 322 A HA 0.511 4.770 4.320 -0.102 0.000 0.328 322 A C 0.998 178.666 177.584 0.140 0.000 1.089 322 A CA 0.466 52.549 52.037 0.076 0.000 0.802 322 A CB 0.420 19.495 19.000 0.125 0.000 1.138 322 A HN 0.351 nan 8.150 nan 0.000 0.474 323 K N 0.379 120.795 120.400 0.026 0.000 2.160 323 K HA -0.206 4.052 4.320 -0.102 0.000 0.206 323 K C 0.606 177.355 176.600 0.248 0.000 1.047 323 K CA 2.401 58.732 56.287 0.074 0.000 0.930 323 K CB 0.044 32.366 32.500 -0.296 0.000 0.720 323 K HN 0.390 nan 8.250 nan 0.000 0.450 324 D N 0.228 120.733 120.400 0.176 0.000 2.123 324 D HA -0.071 4.508 4.640 -0.102 0.000 0.200 324 D C 1.963 178.415 176.300 0.253 0.000 0.976 324 D CA 1.182 55.300 54.000 0.198 0.000 0.831 324 D CB 0.012 40.899 40.800 0.145 0.000 0.974 324 D HN 0.121 nan 8.370 nan 0.000 0.469 325 V N 0.671 120.745 119.914 0.266 0.000 2.453 325 V HA -0.170 3.889 4.120 -0.102 0.000 0.247 325 V C 2.119 178.385 176.094 0.286 0.000 1.048 325 V CA 1.021 63.513 62.300 0.320 0.000 1.049 325 V CB -0.556 31.443 31.823 0.294 0.000 0.672 325 V HN 0.111 nan 8.190 nan 0.000 0.457 326 F N 0.330 120.402 119.950 0.203 0.000 2.084 326 F HA -0.140 4.326 4.527 -0.101 0.000 0.296 326 F C 2.103 178.086 175.800 0.305 0.000 1.111 326 F CA 1.672 59.826 58.000 0.256 0.000 1.224 326 F CB -0.016 39.170 39.000 0.310 0.000 0.991 326 F HN -0.001 nan 8.300 nan 0.000 0.471 327 L N -0.241 121.142 121.223 0.267 0.000 2.201 327 L HA -0.111 4.168 4.340 -0.102 0.000 0.212 327 L C 2.697 179.659 176.870 0.153 0.000 1.105 327 L CA 0.994 55.951 54.840 0.196 0.000 0.775 327 L CB -1.382 40.837 42.059 0.266 0.000 0.913 327 L HN 0.348 nan 8.230 nan 0.000 0.440 328 G N -0.289 108.622 108.800 0.185 0.000 2.433 328 G HA2 -0.297 3.602 3.960 -0.102 0.000 0.216 328 G HA3 -0.297 3.602 3.960 -0.102 0.000 0.216 328 G C 1.627 176.581 174.900 0.090 0.000 1.186 328 G CA 0.596 45.858 45.100 0.269 0.000 0.779 328 G HN 0.152 nan 8.290 nan 0.000 0.543 329 M N -0.595 118.809 119.600 -0.328 0.000 2.108 329 M HA -0.010 4.409 4.480 -0.102 0.000 0.261 329 M C 2.262 178.421 176.300 -0.236 0.000 1.066 329 M CA 1.378 56.323 55.300 -0.593 0.000 1.107 329 M CB -0.252 32.026 32.600 -0.536 0.000 1.356 329 M HN 0.309 nan 8.290 nan 0.000 0.406 330 F N 0.396 120.028 119.950 -0.531 0.000 2.161 330 F HA -0.257 4.208 4.527 -0.103 0.000 0.300 330 F C 1.778 177.280 175.800 -0.498 0.000 1.089 330 F CA 1.344 58.773 58.000 -0.951 0.000 1.282 330 F CB -0.269 38.152 39.000 -0.966 0.000 1.010 330 F HN 0.062 nan 8.300 nan 0.000 0.485 331 L N 0.003 121.074 121.223 -0.253 0.000 2.023 331 L HA -0.142 4.137 4.340 -0.102 0.000 0.205 331 L C 2.310 179.062 176.870 -0.197 0.000 1.073 331 L CA 2.125 56.819 54.840 -0.243 0.000 0.745 331 L CB -1.804 40.242 42.059 -0.022 0.000 0.900 331 L HN 0.403 nan 8.230 nan 0.000 0.435 332 Y N 0.548 120.769 120.300 -0.133 0.000 2.151 332 Y HA -0.266 4.222 4.550 -0.104 0.000 0.284 332 Y C 2.326 178.145 175.900 -0.135 0.000 1.166 332 Y CA 2.275 60.347 58.100 -0.046 0.000 1.163 332 Y CB -0.275 38.293 38.460 0.180 0.000 0.974 332 Y HN 0.313 nan 8.280 nan 0.000 0.511 333 E N -0.702 119.225 120.200 -0.454 0.000 2.072 333 E HA -0.226 4.063 4.350 -0.102 0.000 0.191 333 E C 2.086 178.380 176.600 -0.510 0.000 0.985 333 E CA 1.463 57.532 56.400 -0.551 0.000 0.801 333 E CB -0.847 28.674 29.700 -0.298 0.000 0.750 333 E HN 0.635 nan 8.360 nan 0.000 0.452 334 Y N 0.937 120.824 120.300 -0.689 0.000 2.314 334 Y HA -0.075 4.414 4.550 -0.102 0.000 0.293 334 Y C 2.211 177.873 175.900 -0.396 0.000 1.129 334 Y CA 1.011 58.755 58.100 -0.594 0.000 1.201 334 Y CB -0.280 37.623 38.460 -0.927 0.000 0.999 334 Y HN 0.011 nan 8.280 nan 0.000 0.541 335 A N 0.935 123.641 122.820 -0.190 0.000 1.872 335 A HA -0.155 4.103 4.320 -0.102 0.000 0.214 335 A C 2.324 179.770 177.584 -0.229 0.000 1.187 335 A CA 1.526 53.455 52.037 -0.179 0.000 0.614 335 A CB -0.706 18.172 19.000 -0.203 0.000 0.826 335 A HN 0.538 nan 8.150 nan 0.000 0.442 336 R N 0.532 120.834 120.500 -0.330 0.000 2.170 336 R HA -0.179 4.099 4.340 -0.102 0.000 0.242 336 R C 1.572 177.694 176.300 -0.296 0.000 1.145 336 R CA 1.780 57.685 56.100 -0.326 0.000 0.984 336 R CB -0.454 29.559 30.300 -0.478 0.000 0.869 336 R HN 0.632 nan 8.270 nan 0.000 0.455 337 R N -0.650 119.640 120.500 -0.349 0.000 2.393 337 R HA 0.184 4.463 4.340 -0.102 0.000 0.244 337 R C -0.181 175.759 176.300 -0.600 0.000 0.920 337 R CA -0.157 55.689 56.100 -0.424 0.000 1.076 337 R CB 0.237 30.260 30.300 -0.462 0.000 1.119 337 R HN 0.255 nan 8.270 nan 0.000 0.524 338 H N 1.679 120.534 119.070 -0.359 0.000 2.439 338 H HA 0.211 4.705 4.556 -0.103 0.000 0.230 338 H C -1.997 173.143 175.328 -0.313 0.000 1.420 338 H CA -1.724 54.043 56.048 -0.469 0.000 1.305 338 H CB 1.693 30.993 29.762 -0.771 0.000 1.667 338 H HN 0.120 nan 8.280 nan 0.000 0.515 339 P HA -0.059 nan 4.420 nan 0.000 0.242 339 P C 0.699 177.966 177.300 -0.056 0.000 1.197 339 P CA 0.642 63.675 63.100 -0.111 0.000 0.765 339 P CB 0.335 31.958 31.700 -0.128 0.000 0.936 340 D N -2.208 118.180 120.400 -0.019 0.000 2.339 340 D HA -0.059 4.520 4.640 -0.102 0.000 0.217 340 D C -0.085 176.377 176.300 0.270 0.000 1.050 340 D CA -0.126 53.919 54.000 0.075 0.000 0.856 340 D CB -0.447 40.402 40.800 0.081 0.000 0.922 340 D HN 0.089 nan 8.370 nan 0.000 0.518 341 Y N 1.780 122.053 120.300 -0.045 0.000 2.360 341 Y HA 0.311 4.799 4.550 -0.104 0.000 0.337 341 Y C 0.818 176.645 175.900 -0.121 0.000 1.039 341 Y CA -2.408 55.629 58.100 -0.105 0.000 1.109 341 Y CB 1.649 40.010 38.460 -0.164 0.000 1.201 341 Y HN -0.122 nan 8.280 nan 0.000 0.458 342 S N 0.859 116.556 115.700 -0.004 0.000 2.572 342 S HA 0.171 4.580 4.470 -0.102 0.000 0.279 342 S C 1.061 175.618 174.600 -0.071 0.000 1.341 342 S CA -0.656 57.520 58.200 -0.039 0.000 1.043 342 S CB 0.949 64.120 63.200 -0.049 0.000 0.887 342 S HN 0.444 nan 8.310 nan 0.000 0.516 343 V N 2.994 122.857 119.914 -0.084 0.000 2.250 343 V HA -0.249 3.810 4.120 -0.102 0.000 0.250 343 V C 2.673 178.705 176.094 -0.103 0.000 1.060 343 V CA 2.298 64.504 62.300 -0.156 0.000 1.030 343 V CB -1.523 30.152 31.823 -0.247 0.000 0.643 343 V HN 0.951 nan 8.190 nan 0.000 0.445 344 V N -1.077 118.820 119.914 -0.029 0.000 2.469 344 V HA -0.236 3.823 4.120 -0.102 0.000 0.251 344 V C 2.355 178.369 176.094 -0.133 0.000 1.064 344 V CA 2.238 64.506 62.300 -0.053 0.000 1.066 344 V CB -1.014 30.785 31.823 -0.039 0.000 0.667 344 V HN 0.477 nan 8.190 nan 0.000 0.461 345 L N 0.093 121.211 121.223 -0.175 0.000 2.027 345 L HA -0.002 4.277 4.340 -0.102 0.000 0.206 345 L C 2.332 179.011 176.870 -0.319 0.000 1.074 345 L CA 1.794 56.471 54.840 -0.272 0.000 0.745 345 L CB -0.680 41.154 42.059 -0.375 0.000 0.898 345 L HN 0.261 nan 8.230 nan 0.000 0.433 346 L N -0.883 120.180 121.223 -0.266 0.000 2.043 346 L HA -0.274 4.005 4.340 -0.102 0.000 0.212 346 L C 2.509 179.201 176.870 -0.297 0.000 1.075 346 L CA 1.512 56.161 54.840 -0.319 0.000 0.752 346 L CB -0.611 41.304 42.059 -0.240 0.000 0.891 346 L HN 0.329 nan 8.230 nan 0.000 0.432 347 L N -1.147 119.952 121.223 -0.206 0.000 2.217 347 L HA -0.150 4.128 4.340 -0.102 0.000 0.211 347 L C 2.715 179.492 176.870 -0.155 0.000 1.107 347 L CA 0.828 55.580 54.840 -0.146 0.000 0.783 347 L CB -0.405 41.600 42.059 -0.090 0.000 0.919 347 L HN 0.202 nan 8.230 nan 0.000 0.442 348 R N 0.046 120.425 120.500 -0.201 0.000 2.062 348 R HA -0.067 4.212 4.340 -0.102 0.000 0.229 348 R C 2.321 178.478 176.300 -0.239 0.000 1.128 348 R CA 1.070 57.056 56.100 -0.190 0.000 0.960 348 R CB -0.208 29.974 30.300 -0.196 0.000 0.855 348 R HN 0.267 nan 8.270 nan 0.000 0.432 349 L N 0.027 120.999 121.223 -0.419 0.000 1.989 349 L HA -0.191 4.087 4.340 -0.102 0.000 0.211 349 L C 2.673 179.357 176.870 -0.310 0.000 1.071 349 L CA 1.466 55.892 54.840 -0.691 0.000 0.749 349 L CB -0.748 40.569 42.059 -1.237 0.000 0.890 349 L HN 0.261 nan 8.230 nan 0.000 0.431 350 A N 0.004 122.732 122.820 -0.153 0.000 1.986 350 A HA -0.273 3.986 4.320 -0.102 0.000 0.220 350 A C 2.306 179.909 177.584 0.032 0.000 1.171 350 A CA 2.181 54.264 52.037 0.077 0.000 0.640 350 A CB -0.420 18.631 19.000 0.085 0.000 0.811 350 A HN 0.241 nan 8.150 nan 0.000 0.451 351 K N -0.756 119.633 120.400 -0.020 0.000 2.167 351 K HA 0.007 4.265 4.320 -0.102 0.000 0.203 351 K C 1.887 178.495 176.600 0.013 0.000 1.052 351 K CA 1.806 58.091 56.287 -0.003 0.000 0.956 351 K CB -0.717 31.766 32.500 -0.027 0.000 0.735 351 K HN 0.370 nan 8.250 nan 0.000 0.451 352 T N -0.020 114.550 114.554 0.028 0.000 2.867 352 T HA -0.107 4.181 4.350 -0.102 0.000 0.268 352 T C 1.227 176.021 174.700 0.156 0.000 1.057 352 T CA 1.189 63.351 62.100 0.103 0.000 1.136 352 T CB -0.403 68.575 68.868 0.183 0.000 0.874 352 T HN 0.255 nan 8.240 nan 0.000 0.466 353 Y N 1.946 122.246 120.300 -0.001 0.000 2.133 353 Y HA -0.049 4.439 4.550 -0.103 0.000 0.287 353 Y C 2.498 178.272 175.900 -0.209 0.000 1.134 353 Y CA 1.648 59.664 58.100 -0.140 0.000 1.133 353 Y CB -0.378 37.773 38.460 -0.515 0.000 0.987 353 Y HN 0.254 nan 8.280 nan 0.000 0.502 354 E N -0.799 119.303 120.200 -0.163 0.000 2.049 354 E HA -0.236 4.053 4.350 -0.102 0.000 0.198 354 E C 1.974 178.472 176.600 -0.169 0.000 1.007 354 E CA 2.276 58.557 56.400 -0.197 0.000 0.809 354 E CB -0.300 29.404 29.700 0.006 0.000 0.749 354 E HN 0.469 nan 8.360 nan 0.000 0.450 355 T N 0.063 114.573 114.554 -0.074 0.000 2.720 355 T HA -0.156 4.133 4.350 -0.102 0.000 0.268 355 T C 1.860 176.513 174.700 -0.078 0.000 1.037 355 T CA 1.829 63.904 62.100 -0.043 0.000 1.144 355 T CB -0.496 68.367 68.868 -0.009 0.000 0.864 355 T HN 0.284 nan 8.240 nan 0.000 0.444 356 T N 2.365 116.849 114.554 -0.116 0.000 2.708 356 T HA 0.061 4.350 4.350 -0.102 0.000 0.266 356 T C 1.983 176.565 174.700 -0.196 0.000 1.037 356 T CA 0.813 62.841 62.100 -0.119 0.000 1.146 356 T CB -0.435 68.377 68.868 -0.094 0.000 0.865 356 T HN 0.259 nan 8.240 nan 0.000 0.435 357 L N 0.848 121.814 121.223 -0.429 0.000 2.127 357 L HA -0.110 4.169 4.340 -0.102 0.000 0.211 357 L C 2.895 179.621 176.870 -0.241 0.000 1.089 357 L CA 1.145 55.668 54.840 -0.529 0.000 0.757 357 L CB -0.558 40.797 42.059 -1.173 0.000 0.899 357 L HN 0.228 nan 8.230 nan 0.000 0.434 358 E N 0.427 120.551 120.200 -0.127 0.000 2.031 358 E HA -0.210 4.079 4.350 -0.102 0.000 0.193 358 E C 2.347 178.970 176.600 0.039 0.000 0.994 358 E CA 1.900 58.334 56.400 0.057 0.000 0.800 358 E CB -0.086 29.656 29.700 0.070 0.000 0.752 358 E HN 0.458 nan 8.360 nan 0.000 0.447 359 K N -0.109 120.294 120.400 0.006 0.000 2.103 359 K HA 0.019 4.277 4.320 -0.102 0.000 0.204 359 K C 2.389 179.000 176.600 0.018 0.000 1.052 359 K CA 1.075 57.370 56.287 0.013 0.000 0.945 359 K CB -1.286 31.217 32.500 0.004 0.000 0.722 359 K HN 0.230 nan 8.250 nan 0.000 0.443 360 c N 0.747 119.356 118.600 0.015 0.000 2.453 360 c HA 0.043 4.552 4.570 -0.102 0.000 0.277 360 c C 2.967 177.102 174.090 0.075 0.000 1.262 360 c CA 0.760 57.118 56.329 0.049 0.000 1.718 360 c CB -1.297 41.276 42.510 0.106 0.000 2.031 360 c HN 0.772 nan 8.230 nan 0.000 0.480 361 c N 0.979 119.629 118.600 0.083 0.000 2.430 361 c HA 0.080 4.588 4.570 -0.102 0.000 0.288 361 c C 2.331 176.466 174.090 0.074 0.000 1.448 361 c CA 0.912 57.303 56.329 0.104 0.000 1.784 361 c CB -1.859 40.729 42.510 0.131 0.000 1.776 361 c HN 0.698 nan 8.230 nan 0.000 0.547 362 A N -0.240 122.613 122.820 0.056 0.000 2.507 362 A HA 0.670 4.929 4.320 -0.102 0.000 0.270 362 A C 0.872 178.472 177.584 0.026 0.000 1.318 362 A CA 0.458 52.518 52.037 0.039 0.000 0.924 362 A CB -0.260 18.761 19.000 0.035 0.000 1.061 362 A HN 0.463 nan 8.150 nan 0.000 0.516 363 A N -1.193 121.642 122.820 0.026 0.000 2.248 363 A HA 0.716 4.975 4.320 -0.102 0.000 0.316 363 A C 1.470 179.057 177.584 0.006 0.000 1.101 363 A CA 0.138 52.181 52.037 0.011 0.000 0.875 363 A CB 0.234 19.236 19.000 0.002 0.000 1.207 363 A HN 1.023 nan 8.150 nan 0.000 0.504 364 A N -0.994 121.824 122.820 -0.003 0.000 2.015 364 A HA 0.149 4.408 4.320 -0.102 0.000 0.219 364 A C 0.578 178.156 177.584 -0.011 0.000 1.163 364 A CA 2.154 54.187 52.037 -0.006 0.000 0.646 364 A CB -0.256 18.738 19.000 -0.009 0.000 0.806 364 A HN 0.760 nan 8.150 nan 0.000 0.448 365 D N -2.856 117.532 120.400 -0.019 0.000 2.668 365 D HA 0.333 4.911 4.640 -0.102 0.000 0.247 365 D C -2.197 174.067 176.300 -0.061 0.000 1.268 365 D CA -1.332 52.650 54.000 -0.031 0.000 0.842 365 D CB 0.908 41.686 40.800 -0.037 0.000 1.399 365 D HN -0.117 nan 8.370 nan 0.000 0.530 366 P HA -0.299 nan 4.420 nan 0.000 0.214 366 P C 1.345 178.368 177.300 -0.462 0.000 1.164 366 P CA 1.257 64.309 63.100 -0.079 0.000 0.942 366 P CB -0.027 31.730 31.700 0.096 0.000 0.791 367 H N -0.103 118.570 119.070 -0.661 0.000 2.272 367 H HA -0.265 4.229 4.556 -0.102 0.000 0.289 367 H C 2.001 176.877 175.328 -0.753 0.000 1.100 367 H CA 2.654 58.075 56.048 -1.046 0.000 1.209 367 H CB -0.670 28.846 29.762 -0.409 0.000 1.348 367 H HN 0.046 nan 8.280 nan 0.000 0.481 368 E N 0.257 120.358 120.200 -0.164 0.000 2.097 368 E HA -0.165 4.124 4.350 -0.102 0.000 0.196 368 E C 2.783 179.277 176.600 -0.177 0.000 1.000 368 E CA 1.542 57.886 56.400 -0.093 0.000 0.804 368 E CB -0.935 28.734 29.700 -0.051 0.000 0.740 368 E HN 0.469 nan 8.360 nan 0.000 0.454 369 c N 0.232 118.704 118.600 -0.212 0.000 2.473 369 c HA -0.114 4.394 4.570 -0.102 0.000 0.279 369 c C 2.489 176.519 174.090 -0.101 0.000 1.250 369 c CA 1.147 57.399 56.329 -0.128 0.000 1.713 369 c CB -1.435 41.029 42.510 -0.077 0.000 2.066 369 c HN 0.689 nan 8.230 nan 0.000 0.474 370 Y N 1.135 121.372 120.300 -0.104 0.000 2.471 370 Y HA 0.556 5.045 4.550 -0.102 0.000 0.286 370 Y C 1.762 177.568 175.900 -0.156 0.000 1.188 370 Y CA 0.028 58.053 58.100 -0.124 0.000 1.286 370 Y CB -1.493 36.882 38.460 -0.141 0.000 1.072 370 Y HN 0.230 nan 8.280 nan 0.000 0.517 371 A N 0.999 123.715 122.820 -0.175 0.000 2.067 371 A HA -0.027 4.231 4.320 -0.102 0.000 0.219 371 A C 1.738 179.278 177.584 -0.074 0.000 1.158 371 A CA 0.960 52.887 52.037 -0.182 0.000 0.661 371 A CB -0.207 18.638 19.000 -0.259 0.000 0.801 371 A HN 0.219 nan 8.150 nan 0.000 0.452 372 K N -0.192 120.186 120.400 -0.036 0.000 2.498 372 K HA 0.226 4.485 4.320 -0.102 0.000 0.207 372 K C 1.219 177.817 176.600 -0.003 0.000 1.033 372 K CA 0.121 56.395 56.287 -0.022 0.000 1.138 372 K CB -0.166 32.324 32.500 -0.015 0.000 0.860 372 K HN 0.243 nan 8.250 nan 0.000 0.490 373 V N 0.412 120.337 119.914 0.018 0.000 2.282 373 V HA -0.256 3.803 4.120 -0.102 0.000 0.249 373 V C 1.460 177.422 176.094 -0.221 0.000 1.057 373 V CA 1.812 64.096 62.300 -0.027 0.000 1.032 373 V CB -0.403 31.471 31.823 0.084 0.000 0.645 373 V HN 0.172 nan 8.190 nan 0.000 0.447 374 F N 0.660 120.313 119.950 -0.496 0.000 2.373 374 F HA -0.080 4.387 4.527 -0.100 0.000 0.300 374 F C 2.100 177.776 175.800 -0.205 0.000 1.080 374 F CA 1.507 59.194 58.000 -0.522 0.000 1.417 374 F CB -1.113 37.797 39.000 -0.149 0.000 1.070 374 F HN 0.319 nan 8.300 nan 0.000 0.546 375 D N -0.092 120.338 120.400 0.051 0.000 2.219 375 D HA -0.111 4.468 4.640 -0.102 0.000 0.205 375 D C 1.960 178.295 176.300 0.058 0.000 0.970 375 D CA 0.934 54.971 54.000 0.061 0.000 0.851 375 D CB -0.034 40.788 40.800 0.037 0.000 0.943 375 D HN 0.361 nan 8.370 nan 0.000 0.488 376 E N -0.979 119.239 120.200 0.031 0.000 2.318 376 E HA -0.041 4.248 4.350 -0.102 0.000 0.193 376 E C 1.386 178.126 176.600 0.233 0.000 0.998 376 E CA 0.068 56.526 56.400 0.096 0.000 0.859 376 E CB 0.073 29.823 29.700 0.084 0.000 0.812 376 E HN 0.264 nan 8.360 nan 0.000 0.492 377 F N 2.008 121.965 119.950 0.013 0.000 2.234 377 F HA -0.070 4.397 4.527 -0.099 0.000 0.299 377 F C 2.240 178.007 175.800 -0.054 0.000 1.087 377 F CA 0.709 58.672 58.000 -0.061 0.000 1.340 377 F CB -0.664 38.268 39.000 -0.113 0.000 1.031 377 F HN -0.047 nan 8.300 nan 0.000 0.500 378 K N 0.488 121.005 120.400 0.193 0.000 2.020 378 K HA -0.205 4.053 4.320 -0.102 0.000 0.212 378 K C -0.620 176.007 176.600 0.046 0.000 1.050 378 K CA 1.912 58.263 56.287 0.105 0.000 0.929 378 K CB -1.192 31.366 32.500 0.095 0.000 0.714 378 K HN 0.098 nan 8.250 nan 0.000 0.443 379 P HA -0.154 nan 4.420 nan 0.000 0.214 379 P C 1.260 178.544 177.300 -0.027 0.000 1.163 379 P CA 1.303 64.410 63.100 0.011 0.000 0.883 379 P CB -0.010 31.702 31.700 0.019 0.000 0.788 380 L N -1.325 119.878 121.223 -0.034 0.000 2.129 380 L HA -0.163 4.116 4.340 -0.102 0.000 0.212 380 L C 2.214 178.974 176.870 -0.183 0.000 1.087 380 L CA 1.295 56.072 54.840 -0.105 0.000 0.757 380 L CB -0.896 41.085 42.059 -0.131 0.000 0.896 380 L HN -0.087 nan 8.230 nan 0.000 0.434 381 V N -0.780 119.023 119.914 -0.184 0.000 2.535 381 V HA -0.152 3.907 4.120 -0.102 0.000 0.246 381 V C 2.184 178.165 176.094 -0.188 0.000 1.045 381 V CA 1.319 63.447 62.300 -0.288 0.000 1.058 381 V CB -0.223 31.450 31.823 -0.250 0.000 0.689 381 V HN 0.409 nan 8.190 nan 0.000 0.461 382 E N -0.300 119.843 120.200 -0.096 0.000 2.216 382 E HA -0.157 4.132 4.350 -0.102 0.000 0.192 382 E C 2.229 178.795 176.600 -0.056 0.000 0.988 382 E CA 0.485 56.851 56.400 -0.057 0.000 0.834 382 E CB -0.032 29.656 29.700 -0.020 0.000 0.772 382 E HN 0.484 nan 8.360 nan 0.000 0.479 383 E N 0.964 121.126 120.200 -0.063 0.000 2.049 383 E HA -0.171 4.117 4.350 -0.102 0.000 0.198 383 E C -0.717 175.853 176.600 -0.050 0.000 1.007 383 E CA 1.587 57.957 56.400 -0.050 0.000 0.809 383 E CB -0.786 28.881 29.700 -0.054 0.000 0.749 383 E HN 0.198 nan 8.360 nan 0.000 0.450 384 P HA -0.074 nan 4.420 nan 0.000 0.216 384 P C 1.392 178.662 177.300 -0.049 0.000 1.153 384 P CA 1.344 64.403 63.100 -0.069 0.000 0.844 384 P CB -0.083 31.547 31.700 -0.116 0.000 0.787 385 Q N -0.579 119.184 119.800 -0.062 0.000 2.030 385 Q HA -0.186 4.092 4.340 -0.102 0.000 0.204 385 Q C 1.958 177.951 176.000 -0.011 0.000 0.986 385 Q CA 1.393 57.176 55.803 -0.033 0.000 0.843 385 Q CB -0.647 28.072 28.738 -0.032 0.000 0.904 385 Q HN 0.292 nan 8.270 nan 0.000 0.420 386 N N 0.620 119.314 118.700 -0.010 0.000 2.166 386 N HA -0.144 4.535 4.740 -0.102 0.000 0.186 386 N C 1.778 177.296 175.510 0.014 0.000 1.019 386 N CA 0.775 53.827 53.050 0.004 0.000 0.856 386 N CB -0.214 38.275 38.487 0.003 0.000 0.993 386 N HN 0.132 nan 8.380 nan 0.000 0.426 387 L N 1.250 122.479 121.223 0.011 0.000 2.017 387 L HA -0.061 4.218 4.340 -0.102 0.000 0.208 387 L C 1.961 178.857 176.870 0.042 0.000 1.073 387 L CA 1.209 56.067 54.840 0.029 0.000 0.745 387 L CB -0.392 41.681 42.059 0.024 0.000 0.894 387 L HN 0.010 nan 8.230 nan 0.000 0.432 388 I N -0.561 120.024 120.570 0.026 0.000 2.142 388 I HA -0.295 3.814 4.170 -0.102 0.000 0.240 388 I C 2.718 178.849 176.117 0.023 0.000 1.078 388 I CA 1.407 62.722 61.300 0.026 0.000 1.343 388 I CB -1.599 36.407 38.000 0.010 0.000 1.046 388 I HN 0.236 nan 8.210 nan 0.000 0.405 389 K N 0.849 121.261 120.400 0.020 0.000 2.044 389 K HA -0.274 3.985 4.320 -0.102 0.000 0.210 389 K C 2.520 179.137 176.600 0.029 0.000 1.049 389 K CA 2.097 58.396 56.287 0.020 0.000 0.927 389 K CB -0.982 31.529 32.500 0.019 0.000 0.713 389 K HN 0.662 nan 8.250 nan 0.000 0.443 390 Q N 0.867 120.691 119.800 0.040 0.000 2.020 390 Q HA -0.102 4.177 4.340 -0.102 0.000 0.202 390 Q C 2.117 178.164 176.000 0.077 0.000 0.982 390 Q CA 1.977 57.813 55.803 0.055 0.000 0.838 390 Q CB -1.099 27.676 28.738 0.060 0.000 0.899 390 Q HN 0.760 nan 8.270 nan 0.000 0.423 391 N N -0.370 118.391 118.700 0.102 0.000 2.364 391 N HA -0.097 4.581 4.740 -0.102 0.000 0.183 391 N C 1.796 177.293 175.510 -0.021 0.000 1.022 391 N CA 1.449 54.592 53.050 0.155 0.000 0.883 391 N CB -0.269 38.364 38.487 0.244 0.000 0.965 391 N HN 0.620 nan 8.380 nan 0.000 0.438 392 c N 0.509 119.093 118.600 -0.027 0.000 2.495 392 c HA 0.099 4.607 4.570 -0.102 0.000 0.275 392 c C 2.518 176.614 174.090 0.010 0.000 1.392 392 c CA -0.205 56.090 56.329 -0.056 0.000 1.766 392 c CB -0.502 41.982 42.510 -0.043 0.000 1.933 392 c HN 0.456 nan 8.230 nan 0.000 0.519 393 E N 0.557 120.766 120.200 0.014 0.000 2.016 393 E HA -0.185 4.104 4.350 -0.102 0.000 0.190 393 E C 2.014 178.620 176.600 0.009 0.000 0.985 393 E CA 0.878 57.290 56.400 0.020 0.000 0.802 393 E CB -0.226 29.491 29.700 0.028 0.000 0.762 393 E HN 0.383 nan 8.360 nan 0.000 0.448 394 L N 0.807 122.049 121.223 0.032 0.000 2.021 394 L HA -0.229 4.049 4.340 -0.102 0.000 0.215 394 L C 2.148 178.991 176.870 -0.046 0.000 1.074 394 L CA 1.747 56.623 54.840 0.060 0.000 0.760 394 L CB -0.721 41.468 42.059 0.217 0.000 0.889 394 L HN 0.187 nan 8.230 nan 0.000 0.433 395 F N 0.584 120.266 119.950 -0.447 0.000 2.095 395 F HA -0.258 4.210 4.527 -0.098 0.000 0.298 395 F C 2.352 177.998 175.800 -0.255 0.000 1.104 395 F CA 2.201 59.813 58.000 -0.646 0.000 1.232 395 F CB -0.376 38.065 39.000 -0.933 0.000 0.987 395 F HN 0.251 nan 8.300 nan 0.000 0.475 396 E N -0.432 119.668 120.200 -0.168 0.000 2.118 396 E HA -0.293 3.996 4.350 -0.102 0.000 0.195 396 E C 2.413 178.893 176.600 -0.201 0.000 0.992 396 E CA 1.440 57.739 56.400 -0.169 0.000 0.804 396 E CB -0.369 29.326 29.700 -0.008 0.000 0.741 396 E HN 0.717 nan 8.360 nan 0.000 0.458 397 Q N 0.754 120.471 119.800 -0.139 0.000 2.062 397 Q HA -0.015 4.264 4.340 -0.102 0.000 0.196 397 Q C 2.080 178.017 176.000 -0.105 0.000 0.967 397 Q CA 1.183 56.932 55.803 -0.090 0.000 0.832 397 Q CB -0.709 28.009 28.738 -0.033 0.000 0.899 397 Q HN 0.300 nan 8.270 nan 0.000 0.442 398 L N -1.140 120.013 121.223 -0.116 0.000 2.446 398 L HA 0.473 4.751 4.340 -0.102 0.000 0.219 398 L C 1.394 178.185 176.870 -0.132 0.000 1.116 398 L CA 0.269 55.067 54.840 -0.070 0.000 0.844 398 L CB -0.465 41.612 42.059 0.031 0.000 0.970 398 L HN 0.659 nan 8.230 nan 0.000 0.457 399 G N 0.922 109.506 108.800 -0.360 0.000 2.781 399 G HA2 -0.272 3.626 3.960 -0.102 0.000 0.683 399 G HA3 -0.272 3.626 3.960 -0.102 0.000 0.683 399 G C 0.292 175.017 174.900 -0.290 0.000 1.390 399 G CA 0.134 44.995 45.100 -0.399 0.000 0.850 399 G HN 0.277 nan 8.290 nan 0.000 0.557 400 E N -0.639 119.494 120.200 -0.112 0.000 2.038 400 E HA -0.220 4.069 4.350 -0.102 0.000 0.195 400 E C 2.059 178.836 176.600 0.295 0.000 1.000 400 E CA 2.052 58.607 56.400 0.258 0.000 0.803 400 E CB -0.212 29.686 29.700 0.330 0.000 0.750 400 E HN 0.693 nan 8.360 nan 0.000 0.448 401 Y N 1.053 121.420 120.300 0.110 0.000 2.053 401 Y HA -0.301 4.187 4.550 -0.104 0.000 0.277 401 Y C 2.489 178.448 175.900 0.099 0.000 1.159 401 Y CA 3.208 61.365 58.100 0.094 0.000 1.125 401 Y CB -0.954 37.544 38.460 0.062 0.000 0.969 401 Y HN 0.080 nan 8.280 nan 0.000 0.492 402 K N -0.110 120.256 120.400 -0.058 0.000 2.097 402 K HA -0.201 4.057 4.320 -0.102 0.000 0.206 402 K C 2.099 178.691 176.600 -0.013 0.000 1.049 402 K CA 1.609 57.814 56.287 -0.136 0.000 0.933 402 K CB -1.855 30.641 32.500 -0.005 0.000 0.717 402 K HN 0.537 nan 8.250 nan 0.000 0.442 403 F N 1.906 121.828 119.950 -0.047 0.000 2.171 403 F HA -0.125 4.339 4.527 -0.106 0.000 0.300 403 F C 2.457 178.275 175.800 0.030 0.000 1.090 403 F CA 1.863 59.885 58.000 0.037 0.000 1.293 403 F CB -0.127 38.980 39.000 0.179 0.000 1.013 403 F HN 0.373 nan 8.300 nan 0.000 0.486 404 Q N -0.214 119.581 119.800 -0.009 0.000 2.167 404 Q HA -0.182 4.097 4.340 -0.102 0.000 0.202 404 Q C 1.912 177.799 176.000 -0.190 0.000 0.970 404 Q CA 1.306 57.034 55.803 -0.126 0.000 0.855 404 Q CB -0.272 28.467 28.738 0.001 0.000 0.911 404 Q HN 0.399 nan 8.270 nan 0.000 0.438 405 N N 0.788 119.351 118.700 -0.229 0.000 2.120 405 N HA -0.141 4.538 4.740 -0.102 0.000 0.188 405 N C 1.681 177.101 175.510 -0.150 0.000 1.024 405 N CA 1.346 54.268 53.050 -0.213 0.000 0.852 405 N CB -0.383 37.931 38.487 -0.288 0.000 1.003 405 N HN 0.235 nan 8.380 nan 0.000 0.424 406 A N 1.561 124.287 122.820 -0.156 0.000 1.892 406 A HA -0.110 4.148 4.320 -0.102 0.000 0.218 406 A C 2.363 179.859 177.584 -0.146 0.000 1.188 406 A CA 1.162 53.121 52.037 -0.129 0.000 0.631 406 A CB -0.891 18.038 19.000 -0.118 0.000 0.822 406 A HN 0.248 nan 8.150 nan 0.000 0.447 407 L N -0.884 120.188 121.223 -0.252 0.000 2.201 407 L HA -0.128 4.151 4.340 -0.102 0.000 0.212 407 L C 2.564 179.422 176.870 -0.019 0.000 1.105 407 L CA 0.586 55.338 54.840 -0.147 0.000 0.775 407 L CB -0.466 41.409 42.059 -0.306 0.000 0.913 407 L HN 0.397 nan 8.230 nan 0.000 0.440 408 L N -0.797 120.378 121.223 -0.080 0.000 1.988 408 L HA -0.201 4.078 4.340 -0.102 0.000 0.207 408 L C 2.562 179.426 176.870 -0.010 0.000 1.071 408 L CA 1.124 55.936 54.840 -0.047 0.000 0.744 408 L CB -0.281 41.736 42.059 -0.070 0.000 0.893 408 L HN 0.027 nan 8.230 nan 0.000 0.433 409 V N -0.210 119.687 119.914 -0.028 0.000 2.252 409 V HA -0.376 3.683 4.120 -0.102 0.000 0.249 409 V C 2.587 178.672 176.094 -0.015 0.000 1.056 409 V CA 2.233 64.521 62.300 -0.019 0.000 1.022 409 V CB -0.740 31.071 31.823 -0.021 0.000 0.641 409 V HN 0.454 nan 8.190 nan 0.000 0.445 410 R N -1.406 119.086 120.500 -0.014 0.000 2.103 410 R HA -0.208 4.071 4.340 -0.102 0.000 0.242 410 R C 2.294 178.533 176.300 -0.101 0.000 1.142 410 R CA 2.102 58.172 56.100 -0.051 0.000 0.960 410 R CB -0.334 29.938 30.300 -0.047 0.000 0.858 410 R HN 0.584 nan 8.270 nan 0.000 0.439 411 Y N -0.516 119.729 120.300 -0.092 0.000 2.286 411 Y HA -0.051 4.442 4.550 -0.095 0.000 0.293 411 Y C 2.467 178.312 175.900 -0.092 0.000 1.124 411 Y CA 1.530 59.575 58.100 -0.091 0.000 1.178 411 Y CB -0.184 38.201 38.460 -0.124 0.000 1.010 411 Y HN 0.065 nan 8.280 nan 0.000 0.536 412 T N 0.028 114.604 114.554 0.037 0.000 2.759 412 T HA -0.198 4.091 4.350 -0.102 0.000 0.269 412 T C 1.748 176.389 174.700 -0.099 0.000 1.042 412 T CA 1.590 63.664 62.100 -0.043 0.000 1.140 412 T CB -0.176 68.665 68.868 -0.047 0.000 0.864 412 T HN 0.294 nan 8.240 nan 0.000 0.455 413 K N 0.759 121.112 120.400 -0.079 0.000 2.211 413 K HA -0.006 4.253 4.320 -0.102 0.000 0.203 413 K C 2.347 178.881 176.600 -0.109 0.000 1.050 413 K CA 0.887 57.121 56.287 -0.088 0.000 0.945 413 K CB 0.007 32.471 32.500 -0.059 0.000 0.732 413 K HN 0.325 nan 8.250 nan 0.000 0.451 414 K N 0.557 120.879 120.400 -0.129 0.000 2.007 414 K HA -0.054 4.205 4.320 -0.102 0.000 0.206 414 K C 1.006 177.554 176.600 -0.088 0.000 1.047 414 K CA 1.253 57.466 56.287 -0.123 0.000 0.937 414 K CB 0.225 32.619 32.500 -0.176 0.000 0.718 414 K HN 0.033 nan 8.250 nan 0.000 0.438 415 V N -1.230 118.639 119.914 -0.075 0.000 2.361 415 V HA 0.243 4.302 4.120 -0.102 0.000 0.252 415 V C -2.596 173.403 176.094 -0.158 0.000 0.986 415 V CA -1.634 60.620 62.300 -0.077 0.000 1.033 415 V CB 0.917 32.747 31.823 0.012 0.000 1.282 415 V HN -0.058 nan 8.190 nan 0.000 0.514 416 P HA -0.131 nan 4.420 nan 0.000 0.219 416 P C 1.408 178.455 177.300 -0.420 0.000 1.146 416 P CA 1.354 64.100 63.100 -0.591 0.000 0.808 416 P CB 0.241 31.037 31.700 -1.507 0.000 0.779 417 Q N -0.782 118.874 119.800 -0.240 0.000 2.170 417 Q HA -0.033 4.246 4.340 -0.102 0.000 0.203 417 Q C 0.722 176.717 176.000 -0.008 0.000 0.976 417 Q CA 0.520 56.291 55.803 -0.052 0.000 0.858 417 Q CB -1.310 27.446 28.738 0.030 0.000 0.907 417 Q HN 0.119 nan 8.270 nan 0.000 0.433 418 V N 2.287 122.196 119.914 -0.009 0.000 2.694 418 V HA -0.040 4.019 4.120 -0.102 0.000 0.306 418 V C 0.446 176.541 176.094 0.001 0.000 1.054 418 V CA -0.004 62.317 62.300 0.036 0.000 1.161 418 V CB 0.652 32.496 31.823 0.034 0.000 0.916 418 V HN 0.400 nan 8.190 nan 0.000 0.490 419 S N 3.170 118.876 115.700 0.011 0.000 2.546 419 S HA -0.007 4.401 4.470 -0.102 0.000 0.290 419 S C 1.321 175.907 174.600 -0.024 0.000 1.290 419 S CA 0.060 58.253 58.200 -0.011 0.000 1.069 419 S CB 0.744 63.936 63.200 -0.013 0.000 0.846 419 S HN 0.817 nan 8.310 nan 0.000 0.495 420 T N 4.457 118.991 114.554 -0.032 0.000 2.680 420 T HA -0.107 4.181 4.350 -0.102 0.000 0.268 420 T C -0.881 173.796 174.700 -0.038 0.000 1.033 420 T CA 2.075 64.152 62.100 -0.039 0.000 1.152 420 T CB -1.619 67.222 68.868 -0.044 0.000 0.859 420 T HN 0.592 nan 8.240 nan 0.000 0.452 421 P HA -0.031 nan 4.420 nan 0.000 0.214 421 P C 1.753 179.030 177.300 -0.039 0.000 1.162 421 P CA 1.216 64.296 63.100 -0.035 0.000 0.879 421 P CB -0.295 31.385 31.700 -0.032 0.000 0.786 422 T N 0.005 114.536 114.554 -0.037 0.000 2.699 422 T HA -0.149 4.140 4.350 -0.102 0.000 0.268 422 T C 1.762 176.423 174.700 -0.066 0.000 1.036 422 T CA 1.181 63.254 62.100 -0.045 0.000 1.147 422 T CB -1.024 67.829 68.868 -0.025 0.000 0.862 422 T HN 0.041 nan 8.240 nan 0.000 0.446 423 L N 0.550 121.738 121.223 -0.059 0.000 2.083 423 L HA -0.082 4.196 4.340 -0.102 0.000 0.209 423 L C 2.634 179.452 176.870 -0.087 0.000 1.083 423 L CA 0.807 55.601 54.840 -0.076 0.000 0.752 423 L CB -0.558 41.469 42.059 -0.052 0.000 0.899 423 L HN 0.170 nan 8.230 nan 0.000 0.433 424 V N -0.222 119.654 119.914 -0.063 0.000 2.307 424 V HA -0.265 3.793 4.120 -0.102 0.000 0.245 424 V C 2.468 178.528 176.094 -0.057 0.000 1.045 424 V CA 1.953 64.222 62.300 -0.052 0.000 1.024 424 V CB -0.408 31.396 31.823 -0.031 0.000 0.651 424 V HN 0.440 nan 8.190 nan 0.000 0.449 425 E N 0.636 120.803 120.200 -0.056 0.000 2.023 425 E HA -0.197 4.092 4.350 -0.102 0.000 0.196 425 E C 2.063 178.610 176.600 -0.087 0.000 1.003 425 E CA 2.087 58.456 56.400 -0.052 0.000 0.809 425 E CB -0.579 29.093 29.700 -0.046 0.000 0.755 425 E HN 0.271 nan 8.360 nan 0.000 0.449 426 V N 0.407 120.240 119.914 -0.135 0.000 2.287 426 V HA -0.293 3.766 4.120 -0.102 0.000 0.248 426 V C 2.466 178.400 176.094 -0.267 0.000 1.053 426 V CA 2.142 64.312 62.300 -0.217 0.000 1.027 426 V CB -0.756 30.905 31.823 -0.270 0.000 0.646 426 V HN 0.289 nan 8.190 nan 0.000 0.447 427 S N -0.633 114.915 115.700 -0.253 0.000 2.382 427 S HA -0.179 4.230 4.470 -0.102 0.000 0.228 427 S C 2.040 176.547 174.600 -0.155 0.000 1.027 427 S CA 1.391 59.432 58.200 -0.264 0.000 0.991 427 S CB -0.317 62.766 63.200 -0.196 0.000 0.823 427 S HN 0.547 nan 8.310 nan 0.000 0.469 428 R N 1.485 121.936 120.500 -0.082 0.000 2.081 428 R HA -0.010 4.268 4.340 -0.102 0.000 0.235 428 R C 1.839 178.153 176.300 0.024 0.000 1.131 428 R CA 1.386 57.483 56.100 -0.005 0.000 0.960 428 R CB -0.453 29.860 30.300 0.023 0.000 0.856 428 R HN 0.357 nan 8.270 nan 0.000 0.436 429 N N 0.966 119.660 118.700 -0.010 0.000 2.188 429 N HA -0.090 4.589 4.740 -0.102 0.000 0.184 429 N C 1.928 177.473 175.510 0.058 0.000 1.018 429 N CA 0.973 54.050 53.050 0.045 0.000 0.858 429 N CB -0.225 38.248 38.487 -0.024 0.000 0.989 429 N HN 0.183 nan 8.380 nan 0.000 0.426 430 L N 0.203 121.375 121.223 -0.087 0.000 2.083 430 L HA -0.072 4.206 4.340 -0.102 0.000 0.209 430 L C 2.235 179.152 176.870 0.078 0.000 1.083 430 L CA 1.310 56.093 54.840 -0.095 0.000 0.752 430 L CB -0.675 41.217 42.059 -0.280 0.000 0.899 430 L HN 0.223 nan 8.230 nan 0.000 0.433 431 G N -0.715 108.132 108.800 0.079 0.000 2.572 431 G HA2 -0.141 3.757 3.960 -0.102 0.000 0.216 431 G HA3 -0.141 3.757 3.960 -0.102 0.000 0.216 431 G C 1.540 176.627 174.900 0.311 0.000 1.133 431 G CA -0.004 45.255 45.100 0.265 0.000 0.791 431 G HN 0.283 nan 8.290 nan 0.000 0.538 432 K N 0.131 120.664 120.400 0.221 0.000 2.525 432 K HA 0.142 4.400 4.320 -0.102 0.000 0.192 432 K C 2.054 178.677 176.600 0.038 0.000 1.029 432 K CA -0.054 56.321 56.287 0.147 0.000 1.029 432 K CB 0.345 32.928 32.500 0.138 0.000 0.814 432 K HN 0.207 nan 8.250 nan 0.000 0.503 433 V N 0.547 120.557 119.914 0.159 0.000 2.871 433 V HA -0.070 3.989 4.120 -0.102 0.000 0.256 433 V C 1.853 177.831 176.094 -0.194 0.000 1.082 433 V CA 1.784 64.124 62.300 0.067 0.000 1.105 433 V CB -0.201 31.798 31.823 0.294 0.000 0.713 433 V HN 0.413 nan 8.190 nan 0.000 0.473 434 G N 0.093 108.670 108.800 -0.372 0.000 2.453 434 G HA2 -0.246 3.652 3.960 -0.102 0.000 0.215 434 G HA3 -0.246 3.652 3.960 -0.102 0.000 0.215 434 G C 1.760 175.876 174.900 -1.307 0.000 1.201 434 G CA 1.186 45.531 45.100 -1.258 0.000 0.784 434 G HN 0.627 nan 8.290 nan 0.000 0.545 435 S N 0.266 115.487 115.700 -0.798 0.000 2.402 435 S HA -0.084 4.324 4.470 -0.102 0.000 0.229 435 S C 2.079 176.541 174.600 -0.230 0.000 1.021 435 S CA 1.541 59.582 58.200 -0.265 0.000 0.974 435 S CB -0.165 63.066 63.200 0.052 0.000 0.800 435 S HN 0.347 nan 8.310 nan 0.000 0.484 436 K N 0.549 120.799 120.400 -0.250 0.000 2.155 436 K HA 0.051 4.310 4.320 -0.102 0.000 0.203 436 K C 1.802 178.301 176.600 -0.170 0.000 1.052 436 K CA 1.301 57.455 56.287 -0.222 0.000 0.948 436 K CB -0.880 31.419 32.500 -0.335 0.000 0.728 436 K HN 0.739 nan 8.250 nan 0.000 0.448 437 c N -2.017 116.477 118.600 -0.175 0.000 2.878 437 c HA 0.314 4.822 4.570 -0.102 0.000 0.490 437 c C 2.581 176.627 174.090 -0.073 0.000 1.339 437 c CA -0.156 56.156 56.329 -0.028 0.000 2.353 437 c CB -0.621 41.889 42.510 -0.001 0.000 3.174 437 c HN 0.685 nan 8.230 nan 0.000 0.569 438 c N 2.119 120.596 118.600 -0.205 0.000 2.401 438 c HA -0.088 4.420 4.570 -0.102 0.000 0.286 438 c C 2.730 176.770 174.090 -0.084 0.000 1.332 438 c CA 2.022 58.260 56.329 -0.152 0.000 1.795 438 c CB -1.663 40.699 42.510 -0.248 0.000 1.922 438 c HN 0.743 nan 8.230 nan 0.000 0.520 439 K N -0.208 120.106 120.400 -0.143 0.000 2.546 439 K HA 0.078 4.336 4.320 -0.102 0.000 0.198 439 K C 0.373 176.868 176.600 -0.174 0.000 1.028 439 K CA 0.502 56.706 56.287 -0.138 0.000 1.150 439 K CB -0.621 31.779 32.500 -0.168 0.000 0.876 439 K HN 0.698 nan 8.250 nan 0.000 0.508 440 H N 0.380 119.428 119.070 -0.036 0.000 2.525 440 H HA 0.399 4.892 4.556 -0.105 0.000 0.340 440 H C -2.503 172.814 175.328 -0.018 0.000 1.168 440 H CA -2.205 53.826 56.048 -0.028 0.000 1.247 440 H CB 1.950 31.691 29.762 -0.035 0.000 1.568 440 H HN 0.120 nan 8.280 nan 0.000 0.536 441 P HA 0.086 nan 4.420 nan 0.000 0.279 441 P C 0.178 177.510 177.300 0.053 0.000 1.239 441 P CA -0.264 62.880 63.100 0.073 0.000 0.789 441 P CB 1.394 33.127 31.700 0.054 0.000 0.933 442 E N 2.239 122.462 120.200 0.039 0.000 2.236 442 E HA -0.261 4.027 4.350 -0.102 0.000 0.205 442 E C 2.054 178.669 176.600 0.025 0.000 1.028 442 E CA 2.540 58.959 56.400 0.031 0.000 0.827 442 E CB -0.726 28.992 29.700 0.031 0.000 0.735 442 E HN 0.585 nan 8.360 nan 0.000 0.470 443 A N 0.410 123.239 122.820 0.016 0.000 1.972 443 A HA -0.212 4.047 4.320 -0.102 0.000 0.219 443 A C 1.672 179.241 177.584 -0.026 0.000 1.169 443 A CA 1.600 53.639 52.037 0.003 0.000 0.635 443 A CB -0.070 18.924 19.000 -0.010 0.000 0.810 443 A HN 0.122 nan 8.150 nan 0.000 0.446 444 K N -1.634 118.729 120.400 -0.062 0.000 2.374 444 K HA 0.204 4.463 4.320 -0.102 0.000 0.202 444 K C 1.809 178.324 176.600 -0.141 0.000 1.040 444 K CA -0.234 55.959 56.287 -0.156 0.000 1.085 444 K CB 0.395 32.695 32.500 -0.333 0.000 0.873 444 K HN 0.290 nan 8.250 nan 0.000 0.539 445 R N 1.001 121.478 120.500 -0.038 0.000 2.070 445 R HA 0.000 4.279 4.340 -0.102 0.000 0.233 445 R C 2.285 178.582 176.300 -0.005 0.000 1.137 445 R CA 1.507 57.610 56.100 0.004 0.000 0.945 445 R CB -0.093 30.224 30.300 0.029 0.000 0.845 445 R HN 0.164 nan 8.270 nan 0.000 0.430 446 M N 0.836 120.433 119.600 -0.005 0.000 2.067 446 M HA -0.091 4.328 4.480 -0.102 0.000 0.260 446 M C -0.900 175.393 176.300 -0.013 0.000 1.069 446 M CA 1.730 57.023 55.300 -0.011 0.000 1.117 446 M CB -0.891 31.696 32.600 -0.022 0.000 1.334 446 M HN -0.036 nan 8.290 nan 0.000 0.407 447 P HA -0.164 nan 4.420 nan 0.000 0.216 447 P C 1.759 179.054 177.300 -0.008 0.000 1.150 447 P CA 1.480 64.567 63.100 -0.021 0.000 0.837 447 P CB -0.528 31.145 31.700 -0.044 0.000 0.786 448 c N 0.094 118.679 118.600 -0.025 0.000 2.442 448 c HA 0.012 4.520 4.570 -0.102 0.000 0.279 448 c C 3.032 177.161 174.090 0.066 0.000 1.237 448 c CA 1.821 58.153 56.329 0.004 0.000 1.722 448 c CB -1.542 40.965 42.510 -0.006 0.000 2.056 448 c HN 0.256 nan 8.230 nan 0.000 0.469 449 A N -0.079 122.775 122.820 0.057 0.000 1.828 449 A HA -0.218 4.041 4.320 -0.102 0.000 0.215 449 A C 2.170 179.808 177.584 0.091 0.000 1.203 449 A CA 1.960 54.051 52.037 0.090 0.000 0.614 449 A CB -1.261 17.769 19.000 0.050 0.000 0.844 449 A HN 0.790 nan 8.150 nan 0.000 0.445 450 E N -0.624 119.599 120.200 0.039 0.000 2.204 450 E HA -0.218 4.071 4.350 -0.102 0.000 0.195 450 E C 1.125 177.739 176.600 0.022 0.000 0.990 450 E CA 1.305 57.715 56.400 0.016 0.000 0.821 450 E CB -0.079 29.609 29.700 -0.020 0.000 0.750 450 E HN 0.557 nan 8.360 nan 0.000 0.477 451 D N -0.607 119.824 120.400 0.051 0.000 2.194 451 D HA -0.132 4.446 4.640 -0.102 0.000 0.204 451 D C 1.547 177.892 176.300 0.074 0.000 0.964 451 D CA 0.574 54.614 54.000 0.067 0.000 0.846 451 D CB -0.196 40.665 40.800 0.102 0.000 0.962 451 D HN 0.286 nan 8.370 nan 0.000 0.490 452 Y N 1.910 122.201 120.300 -0.015 0.000 2.181 452 Y HA -0.119 4.362 4.550 -0.114 0.000 0.288 452 Y C 2.097 177.972 175.900 -0.043 0.000 1.146 452 Y CA 1.098 59.183 58.100 -0.027 0.000 1.164 452 Y CB -0.517 37.931 38.460 -0.020 0.000 0.982 452 Y HN -0.125 nan 8.280 nan 0.000 0.515 453 L N -0.720 120.398 121.223 -0.176 0.000 2.261 453 L HA -0.230 4.049 4.340 -0.102 0.000 0.216 453 L C 2.406 179.144 176.870 -0.220 0.000 1.114 453 L CA 1.392 56.084 54.840 -0.246 0.000 0.777 453 L CB -0.611 41.392 42.059 -0.093 0.000 0.910 453 L HN 0.142 nan 8.230 nan 0.000 0.440 454 S N -0.818 114.792 115.700 -0.150 0.000 2.406 454 S HA -0.091 4.318 4.470 -0.102 0.000 0.228 454 S C 2.001 176.496 174.600 -0.175 0.000 1.020 454 S CA 0.842 58.965 58.200 -0.129 0.000 0.965 454 S CB 0.017 63.163 63.200 -0.090 0.000 0.798 454 S HN 0.176 nan 8.310 nan 0.000 0.488 455 V N 1.260 121.046 119.914 -0.214 0.000 2.453 455 V HA -0.064 3.995 4.120 -0.102 0.000 0.247 455 V C 2.219 178.156 176.094 -0.262 0.000 1.048 455 V CA 1.148 63.319 62.300 -0.215 0.000 1.049 455 V CB -0.519 31.209 31.823 -0.158 0.000 0.672 455 V HN 0.326 nan 8.190 nan 0.000 0.457 456 V N -0.231 119.446 119.914 -0.396 0.000 2.379 456 V HA -0.155 3.904 4.120 -0.102 0.000 0.245 456 V C 2.211 178.120 176.094 -0.308 0.000 1.044 456 V CA 1.544 63.613 62.300 -0.385 0.000 1.036 456 V CB -0.451 31.058 31.823 -0.523 0.000 0.664 456 V HN 0.431 nan 8.190 nan 0.000 0.453 457 L N 0.587 121.632 121.223 -0.297 0.000 2.362 457 L HA -0.125 4.153 4.340 -0.102 0.000 0.219 457 L C 2.282 179.050 176.870 -0.170 0.000 1.134 457 L CA 1.421 56.090 54.840 -0.284 0.000 0.807 457 L CB -0.656 41.264 42.059 -0.232 0.000 0.927 457 L HN 0.456 nan 8.230 nan 0.000 0.447 458 N N -0.050 118.564 118.700 -0.143 0.000 2.216 458 N HA -0.179 4.500 4.740 -0.102 0.000 0.183 458 N C 1.864 177.316 175.510 -0.096 0.000 1.017 458 N CA 0.986 53.980 53.050 -0.092 0.000 0.861 458 N CB 0.114 38.535 38.487 -0.110 0.000 0.986 458 N HN 0.274 nan 8.380 nan 0.000 0.428 459 Q N -0.131 119.594 119.800 -0.125 0.000 2.045 459 Q HA -0.196 4.083 4.340 -0.102 0.000 0.206 459 Q C 1.981 177.931 176.000 -0.083 0.000 0.991 459 Q CA 1.689 57.429 55.803 -0.105 0.000 0.851 459 Q CB -0.419 28.250 28.738 -0.114 0.000 0.911 459 Q HN 0.386 nan 8.270 nan 0.000 0.418 460 L N 0.627 121.781 121.223 -0.115 0.000 2.013 460 L HA -0.205 4.074 4.340 -0.102 0.000 0.212 460 L C 2.177 179.047 176.870 -0.000 0.000 1.073 460 L CA 1.832 56.617 54.840 -0.092 0.000 0.753 460 L CB -0.827 41.108 42.059 -0.208 0.000 0.890 460 L HN 0.324 nan 8.230 nan 0.000 0.432 461 c N -1.313 117.288 118.600 0.001 0.000 2.429 461 c HA -0.119 4.390 4.570 -0.102 0.000 0.277 461 c C 2.867 176.992 174.090 0.058 0.000 1.262 461 c CA 1.037 57.410 56.329 0.073 0.000 1.733 461 c CB -1.086 41.473 42.510 0.081 0.000 2.010 461 c HN 0.659 nan 8.230 nan 0.000 0.483 462 V N -0.486 119.424 119.914 -0.007 0.000 2.407 462 V HA -0.079 3.980 4.120 -0.102 0.000 0.245 462 V C 2.125 178.210 176.094 -0.014 0.000 1.041 462 V CA 1.712 63.993 62.300 -0.032 0.000 1.040 462 V CB -1.029 30.738 31.823 -0.094 0.000 0.671 462 V HN 0.553 nan 8.190 nan 0.000 0.455 463 L N 0.200 121.418 121.223 -0.010 0.000 2.042 463 L HA -0.191 4.087 4.340 -0.102 0.000 0.210 463 L C 2.805 179.680 176.870 0.008 0.000 1.076 463 L CA 2.507 57.341 54.840 -0.009 0.000 0.749 463 L CB -0.925 41.125 42.059 -0.014 0.000 0.893 463 L HN 0.516 nan 8.230 nan 0.000 0.432 464 H N 0.108 119.160 119.070 -0.030 0.000 2.389 464 H HA -0.214 4.279 4.556 -0.106 0.000 0.299 464 H C 2.195 177.513 175.328 -0.016 0.000 1.081 464 H CA 1.803 57.842 56.048 -0.015 0.000 1.345 464 H CB 0.134 29.900 29.762 0.008 0.000 1.393 464 H HN 0.286 nan 8.280 nan 0.000 0.520 465 E N 0.091 120.282 120.200 -0.015 0.000 2.267 465 E HA -0.234 4.055 4.350 -0.102 0.000 0.197 465 E C 2.292 178.822 176.600 -0.117 0.000 0.998 465 E CA 1.423 57.787 56.400 -0.060 0.000 0.830 465 E CB -0.039 29.650 29.700 -0.018 0.000 0.751 465 E HN 0.637 nan 8.360 nan 0.000 0.491 466 K N 0.182 120.513 120.400 -0.115 0.000 2.001 466 K HA -0.058 4.201 4.320 -0.102 0.000 0.208 466 K C 1.405 177.929 176.600 -0.128 0.000 1.048 466 K CA 1.651 57.879 56.287 -0.098 0.000 0.932 466 K CB -0.831 31.627 32.500 -0.070 0.000 0.715 466 K HN 0.282 nan 8.250 nan 0.000 0.437 467 T N 0.330 114.772 114.554 -0.186 0.000 3.141 467 T HA 0.377 4.666 4.350 -0.102 0.000 0.377 467 T C -3.146 171.348 174.700 -0.344 0.000 1.258 467 T CA -1.786 60.201 62.100 -0.188 0.000 1.263 467 T CB 1.480 70.274 68.868 -0.123 0.000 1.066 467 T HN 0.188 nan 8.240 nan 0.000 0.546 468 P HA 0.190 nan 4.420 nan 0.000 0.271 468 P C 0.835 178.034 177.300 -0.168 0.000 1.233 468 P CA -0.339 62.453 63.100 -0.514 0.000 0.764 468 P CB 1.379 32.971 31.700 -0.180 0.000 0.825 469 V N 0.253 120.182 119.914 0.025 0.000 3.485 469 V HA 0.265 4.324 4.120 -0.102 0.000 0.280 469 V C 0.627 176.830 176.094 0.182 0.000 1.495 469 V CA 0.200 62.570 62.300 0.116 0.000 1.018 469 V CB 0.247 32.120 31.823 0.083 0.000 0.818 469 V HN 0.538 nan 8.190 nan 0.000 0.436 470 S N 1.132 117.020 115.700 0.313 0.000 2.756 470 S HA 0.385 4.793 4.470 -0.102 0.000 0.303 470 S C 0.218 174.853 174.600 0.058 0.000 1.135 470 S CA -0.217 58.050 58.200 0.113 0.000 1.066 470 S CB 1.312 64.523 63.200 0.018 0.000 1.008 470 S HN 0.401 nan 8.310 nan 0.000 0.482 471 D N 3.652 124.079 120.400 0.044 0.000 2.263 471 D HA -0.070 4.508 4.640 -0.102 0.000 0.208 471 D C 1.766 178.042 176.300 -0.039 0.000 0.971 471 D CA 0.956 54.967 54.000 0.018 0.000 0.867 471 D CB 0.065 40.871 40.800 0.010 0.000 0.929 471 D HN 0.550 nan 8.370 nan 0.000 0.492 472 R N 0.192 120.654 120.500 -0.063 0.000 2.148 472 R HA 0.041 4.319 4.340 -0.102 0.000 0.223 472 R C 1.899 178.093 176.300 -0.176 0.000 1.088 472 R CA 0.364 56.397 56.100 -0.112 0.000 0.985 472 R CB -0.112 30.132 30.300 -0.094 0.000 0.880 472 R HN 0.137 nan 8.270 nan 0.000 0.451 473 V N 0.284 120.093 119.914 -0.176 0.000 2.488 473 V HA -0.155 3.904 4.120 -0.102 0.000 0.246 473 V C 1.950 177.944 176.094 -0.166 0.000 1.046 473 V CA 1.847 64.025 62.300 -0.203 0.000 1.053 473 V CB -0.104 31.365 31.823 -0.589 0.000 0.679 473 V HN 0.340 nan 8.190 nan 0.000 0.458 474 T N -0.550 113.937 114.554 -0.111 0.000 2.777 474 T HA -0.188 4.101 4.350 -0.102 0.000 0.266 474 T C 1.955 176.638 174.700 -0.028 0.000 1.040 474 T CA 1.519 63.622 62.100 0.005 0.000 1.141 474 T CB -0.098 68.810 68.868 0.067 0.000 0.868 474 T HN 0.374 nan 8.240 nan 0.000 0.444 475 K N 0.329 120.685 120.400 -0.073 0.000 1.985 475 K HA -0.106 4.153 4.320 -0.102 0.000 0.210 475 K C 2.506 179.032 176.600 -0.124 0.000 1.047 475 K CA 1.462 57.698 56.287 -0.085 0.000 0.932 475 K CB -0.473 31.965 32.500 -0.105 0.000 0.716 475 K HN 0.291 nan 8.250 nan 0.000 0.439 476 c N 0.523 118.970 118.600 -0.254 0.000 2.411 476 c HA -0.141 4.368 4.570 -0.102 0.000 0.279 476 c C 2.893 176.890 174.090 -0.155 0.000 1.288 476 c CA 0.539 56.639 56.329 -0.381 0.000 1.764 476 c CB -0.964 40.922 42.510 -1.040 0.000 1.974 476 c HN 0.647 nan 8.230 nan 0.000 0.498 477 c N 0.241 118.827 118.600 -0.024 0.000 2.492 477 c HA -0.026 4.483 4.570 -0.102 0.000 0.279 477 c C 2.836 177.032 174.090 0.177 0.000 1.335 477 c CA 1.679 58.081 56.329 0.122 0.000 1.734 477 c CB -1.438 41.156 42.510 0.140 0.000 2.027 477 c HN 0.822 nan 8.230 nan 0.000 0.496 478 T N -2.001 112.619 114.554 0.111 0.000 3.051 478 T HA 0.023 4.312 4.350 -0.102 0.000 0.255 478 T C 1.463 176.272 174.700 0.181 0.000 1.085 478 T CA 0.667 62.850 62.100 0.139 0.000 1.109 478 T CB -0.273 68.618 68.868 0.039 0.000 0.921 478 T HN 0.535 nan 8.240 nan 0.000 0.488 479 E N 1.446 121.699 120.200 0.090 0.000 2.023 479 E HA -0.041 4.248 4.350 -0.102 0.000 0.196 479 E C 0.674 177.320 176.600 0.076 0.000 1.003 479 E CA 1.204 57.640 56.400 0.059 0.000 0.809 479 E CB 0.057 29.751 29.700 -0.011 0.000 0.755 479 E HN 0.516 nan 8.360 nan 0.000 0.449 480 S N -1.099 114.614 115.700 0.021 0.000 2.566 480 S HA 0.138 4.547 4.470 -0.102 0.000 0.273 480 S C 0.112 174.564 174.600 -0.246 0.000 1.157 480 S CA -0.780 57.364 58.200 -0.093 0.000 0.938 480 S CB 1.491 64.639 63.200 -0.087 0.000 1.087 480 S HN 0.131 nan 8.310 nan 0.000 0.474 481 L N 5.729 126.564 121.223 -0.646 0.000 1.994 481 L HA 0.085 4.364 4.340 -0.102 0.000 0.208 481 L C 2.125 178.794 176.870 -0.335 0.000 1.071 481 L CA 2.256 56.645 54.840 -0.751 0.000 0.745 481 L CB -0.788 40.509 42.059 -1.270 0.000 0.892 481 L HN 0.720 nan 8.230 nan 0.000 0.431 482 V N -0.390 119.362 119.914 -0.270 0.000 2.626 482 V HA -0.228 3.831 4.120 -0.102 0.000 0.252 482 V C 1.752 177.776 176.094 -0.117 0.000 1.067 482 V CA 1.984 64.190 62.300 -0.157 0.000 1.081 482 V CB -1.081 30.662 31.823 -0.133 0.000 0.686 482 V HN 0.543 nan 8.190 nan 0.000 0.468 483 N N -0.736 117.896 118.700 -0.114 0.000 2.280 483 N HA 0.100 4.779 4.740 -0.102 0.000 0.192 483 N C 1.753 177.231 175.510 -0.054 0.000 1.109 483 N CA -0.271 52.730 53.050 -0.082 0.000 0.855 483 N CB 0.085 38.523 38.487 -0.081 0.000 0.974 483 N HN 0.382 nan 8.380 nan 0.000 0.482 484 R N 1.013 121.492 120.500 -0.035 0.000 2.136 484 R HA -0.186 4.092 4.340 -0.102 0.000 0.242 484 R C 2.117 178.509 176.300 0.154 0.000 1.131 484 R CA 1.396 57.528 56.100 0.054 0.000 0.937 484 R CB -0.226 30.140 30.300 0.110 0.000 0.863 484 R HN 0.212 nan 8.270 nan 0.000 0.435 485 R N 0.359 120.925 120.500 0.111 0.000 2.080 485 R HA -0.103 4.176 4.340 -0.102 0.000 0.236 485 R C -0.714 175.644 176.300 0.096 0.000 1.137 485 R CA 1.772 57.949 56.100 0.128 0.000 0.943 485 R CB -1.422 28.904 30.300 0.043 0.000 0.846 485 R HN 0.164 nan 8.270 nan 0.000 0.431 486 P HA -0.144 nan 4.420 nan 0.000 0.216 486 P C 1.650 178.933 177.300 -0.029 0.000 1.150 486 P CA 1.066 64.159 63.100 -0.011 0.000 0.843 486 P CB -0.219 31.457 31.700 -0.040 0.000 0.787 487 c N -1.736 116.824 118.600 -0.066 0.000 2.413 487 c HA -0.184 4.325 4.570 -0.102 0.000 0.278 487 c C 2.409 176.381 174.090 -0.197 0.000 1.224 487 c CA 0.884 57.110 56.329 -0.172 0.000 1.732 487 c CB -2.053 40.289 42.510 -0.281 0.000 2.050 487 c HN 0.083 nan 8.230 nan 0.000 0.463 488 F N 1.374 121.298 119.950 -0.043 0.000 2.161 488 F HA -0.103 4.365 4.527 -0.098 0.000 0.300 488 F C 2.799 178.537 175.800 -0.102 0.000 1.089 488 F CA 1.978 59.947 58.000 -0.052 0.000 1.282 488 F CB -0.774 38.250 39.000 0.039 0.000 1.010 488 F HN 0.163 nan 8.300 nan 0.000 0.485 489 S N -0.601 115.163 115.700 0.107 0.000 2.447 489 S HA -0.061 4.348 4.470 -0.102 0.000 0.233 489 S C 2.206 176.788 174.600 -0.030 0.000 1.006 489 S CA 0.781 58.996 58.200 0.024 0.000 0.957 489 S CB -0.399 62.822 63.200 0.035 0.000 0.773 489 S HN 0.356 nan 8.310 nan 0.000 0.507 490 A N 0.884 123.677 122.820 -0.045 0.000 2.021 490 A HA 0.284 4.543 4.320 -0.102 0.000 0.216 490 A C 0.813 178.351 177.584 -0.076 0.000 1.163 490 A CA 0.184 52.186 52.037 -0.060 0.000 0.676 490 A CB -0.284 18.676 19.000 -0.066 0.000 0.818 490 A HN 0.399 nan 8.150 nan 0.000 0.453 491 L N 0.294 121.461 121.223 -0.094 0.000 2.490 491 L HA 0.119 4.398 4.340 -0.102 0.000 0.274 491 L C 1.190 177.997 176.870 -0.105 0.000 1.201 491 L CA -0.171 54.608 54.840 -0.102 0.000 0.869 491 L CB 0.544 42.537 42.059 -0.109 0.000 1.123 491 L HN 0.446 nan 8.230 nan 0.000 0.484 492 E N 2.686 122.834 120.200 -0.087 0.000 3.018 492 E HA 0.248 4.536 4.350 -0.102 0.000 0.293 492 E C -0.768 175.785 176.600 -0.078 0.000 0.886 492 E CA -0.016 56.336 56.400 -0.080 0.000 1.132 492 E CB 0.608 30.276 29.700 -0.053 0.000 2.610 492 E HN 0.298 nan 8.360 nan 0.000 0.572 493 V N 0.473 120.357 119.914 -0.050 0.000 2.735 493 V HA 0.516 4.575 4.120 -0.102 0.000 0.310 493 V C -1.075 175.007 176.094 -0.019 0.000 1.061 493 V CA -0.893 61.385 62.300 -0.038 0.000 0.913 493 V CB 1.781 33.595 31.823 -0.016 0.000 1.005 493 V HN 0.383 nan 8.190 nan 0.000 0.428 494 D N 3.392 123.785 120.400 -0.012 0.000 2.338 494 D HA 0.193 4.771 4.640 -0.102 0.000 0.255 494 D C 0.955 177.292 176.300 0.062 0.000 1.237 494 D CA 0.326 54.335 54.000 0.016 0.000 0.883 494 D CB 1.431 42.237 40.800 0.010 0.000 1.087 494 D HN 0.788 nan 8.370 nan 0.000 0.485 495 E N 1.123 121.347 120.200 0.040 0.000 2.427 495 E HA -0.078 4.211 4.350 -0.102 0.000 0.196 495 E C 1.519 178.149 176.600 0.049 0.000 1.028 495 E CA 0.681 57.105 56.400 0.040 0.000 0.864 495 E CB 0.286 29.996 29.700 0.018 0.000 0.813 495 E HN 0.544 nan 8.360 nan 0.000 0.514 496 T N -2.046 112.546 114.554 0.063 0.000 3.060 496 T HA -0.045 4.244 4.350 -0.102 0.000 0.249 496 T C 0.450 175.208 174.700 0.096 0.000 1.079 496 T CA -0.479 61.655 62.100 0.057 0.000 1.013 496 T CB -0.267 68.626 68.868 0.041 0.000 0.975 496 T HN 0.074 nan 8.240 nan 0.000 0.518 497 Y N 2.856 123.152 120.300 -0.006 0.000 2.632 497 Y HA 0.390 4.880 4.550 -0.100 0.000 0.329 497 Y C -0.011 175.887 175.900 -0.003 0.000 1.174 497 Y CA -1.459 56.638 58.100 -0.004 0.000 1.469 497 Y CB 0.546 39.003 38.460 -0.005 0.000 1.242 497 Y HN 0.073 nan 8.280 nan 0.000 0.540 498 V N 10.002 129.641 119.914 -0.459 0.000 2.348 498 V HA 0.433 4.491 4.120 -0.102 0.000 0.270 498 V C -2.360 173.205 176.094 -0.883 0.000 1.037 498 V CA -2.385 59.633 62.300 -0.471 0.000 0.872 498 V CB 0.366 32.053 31.823 -0.226 0.000 1.002 498 V HN 0.802 nan 8.190 nan 0.000 0.464 499 P HA 0.061 nan 4.420 nan 0.000 0.266 499 P C -0.301 176.825 177.300 -0.290 0.000 1.186 499 P CA 0.386 63.163 63.100 -0.537 0.000 0.767 499 P CB 0.383 31.950 31.700 -0.221 0.000 0.820 500 K N 1.844 122.169 120.400 -0.125 0.000 2.140 500 K HA 0.227 4.486 4.320 -0.102 0.000 0.237 500 K C -0.045 176.543 176.600 -0.021 0.000 1.045 500 K CA -0.231 56.031 56.287 -0.042 0.000 0.896 500 K CB 0.374 32.886 32.500 0.020 0.000 1.122 500 K HN 0.457 nan 8.250 nan 0.000 0.503 501 E N 0.725 120.922 120.200 -0.006 0.000 2.224 501 E HA 0.135 4.423 4.350 -0.102 0.000 0.265 501 E C -1.198 175.432 176.600 0.051 0.000 0.878 501 E CA -0.629 55.792 56.400 0.036 0.000 0.759 501 E CB 1.060 30.779 29.700 0.032 0.000 1.164 501 E HN 0.308 nan 8.360 nan 0.000 0.414 502 F N 3.144 123.060 119.950 -0.057 0.000 2.579 502 F HA -0.118 4.347 4.527 -0.102 0.000 0.397 502 F C 0.118 175.900 175.800 -0.029 0.000 1.027 502 F CA 1.057 59.008 58.000 -0.082 0.000 1.217 502 F CB 0.159 39.141 39.000 -0.030 0.000 0.986 502 F HN 0.462 nan 8.300 nan 0.000 0.551 503 N N 2.998 121.279 118.700 -0.698 0.000 2.619 503 N HA 0.650 5.328 4.740 -0.102 0.000 0.294 503 N C 0.092 175.296 175.510 -0.509 0.000 1.279 503 N CA -0.354 52.459 53.050 -0.396 0.000 0.867 503 N CB 1.719 40.071 38.487 -0.224 0.000 1.329 503 N HN 0.653 nan 8.380 nan 0.000 0.557 504 A N 0.061 122.818 122.820 -0.105 0.000 1.942 504 A HA 0.080 4.339 4.320 -0.102 0.000 0.209 504 A C 1.213 178.848 177.584 0.086 0.000 1.214 504 A CA 0.694 52.778 52.037 0.079 0.000 0.686 504 A CB -0.021 19.048 19.000 0.116 0.000 0.871 504 A HN 0.643 nan 8.150 nan 0.000 0.460 505 E N -0.033 120.176 120.200 0.014 0.000 2.478 505 E HA -0.010 4.279 4.350 -0.102 0.000 0.194 505 E C 1.495 178.081 176.600 -0.024 0.000 1.045 505 E CA 0.666 57.064 56.400 -0.003 0.000 0.868 505 E CB -0.709 28.983 29.700 -0.013 0.000 0.885 505 E HN 0.424 nan 8.360 nan 0.000 0.505 506 T N 0.740 115.255 114.554 -0.064 0.000 2.803 506 T HA -0.095 4.194 4.350 -0.102 0.000 0.269 506 T C 0.495 175.174 174.700 -0.036 0.000 1.052 506 T CA 0.931 62.946 62.100 -0.142 0.000 1.136 506 T CB -0.191 68.453 68.868 -0.373 0.000 0.864 506 T HN 0.350 nan 8.240 nan 0.000 0.467 507 F N -0.114 119.646 119.950 -0.317 0.000 2.991 507 F HA 0.496 4.961 4.527 -0.103 0.000 0.355 507 F C -0.750 174.639 175.800 -0.685 0.000 1.262 507 F CA -1.393 56.335 58.000 -0.454 0.000 1.127 507 F CB 0.567 39.285 39.000 -0.470 0.000 1.447 507 F HN -0.380 nan 8.300 nan 0.000 0.584 508 T N 2.348 116.608 114.554 -0.491 0.000 2.816 508 T HA 0.382 4.671 4.350 -0.102 0.000 0.282 508 T C 0.088 174.284 174.700 -0.840 0.000 0.993 508 T CA 0.104 61.914 62.100 -0.484 0.000 0.994 508 T CB 1.184 69.937 68.868 -0.192 0.000 1.025 508 T HN 0.615 nan 8.240 nan 0.000 0.529 509 F N -1.892 117.895 119.950 -0.272 0.000 2.856 509 F HA 0.235 4.702 4.527 -0.101 0.000 0.338 509 F C 1.772 177.315 175.800 -0.428 0.000 1.005 509 F CA -0.236 57.559 58.000 -0.342 0.000 1.155 509 F CB -1.153 37.623 39.000 -0.373 0.000 1.010 509 F HN 0.812 nan 8.300 nan 0.000 0.587 510 H N 1.087 120.064 119.070 -0.155 0.000 3.060 510 H HA 0.182 4.677 4.556 -0.102 0.000 0.261 510 H C 1.659 176.811 175.328 -0.292 0.000 0.811 510 H CA 0.047 55.970 56.048 -0.208 0.000 1.437 510 H CB -0.531 29.164 29.762 -0.111 0.000 1.240 510 H HN 0.529 nan 8.280 nan 0.000 0.527 511 A N 2.781 125.392 122.820 -0.348 0.000 2.171 511 A HA -0.124 4.134 4.320 -0.102 0.000 0.223 511 A C 2.536 180.066 177.584 -0.090 0.000 1.166 511 A CA 2.618 54.514 52.037 -0.236 0.000 0.668 511 A CB -1.701 17.271 19.000 -0.046 0.000 0.807 511 A HN 1.865 nan 8.150 nan 0.000 0.475 512 D N -1.280 119.072 120.400 -0.081 0.000 2.401 512 D HA 0.034 4.612 4.640 -0.102 0.000 0.217 512 D C 1.666 177.954 176.300 -0.019 0.000 0.978 512 D CA 2.284 56.261 54.000 -0.038 0.000 0.951 512 D CB -1.189 39.586 40.800 -0.042 0.000 0.879 512 D HN 1.154 nan 8.370 nan 0.000 0.497 513 I N -0.796 119.760 120.570 -0.022 0.000 2.617 513 I HA 0.070 4.179 4.170 -0.102 0.000 0.256 513 I C 2.671 178.822 176.117 0.056 0.000 1.167 513 I CA 1.269 62.580 61.300 0.018 0.000 1.469 513 I CB -1.122 36.900 38.000 0.035 0.000 1.098 513 I HN 0.617 nan 8.210 nan 0.000 0.436 514 c N -0.046 118.598 118.600 0.073 0.000 2.511 514 c HA 0.065 4.574 4.570 -0.102 0.000 0.277 514 c C 2.774 176.898 174.090 0.056 0.000 1.451 514 c CA 1.467 57.846 56.329 0.085 0.000 1.735 514 c CB -1.824 40.751 42.510 0.108 0.000 1.704 514 c HN 0.761 nan 8.230 nan 0.000 0.571 515 T N -0.039 114.539 114.554 0.040 0.000 3.023 515 T HA 0.286 4.575 4.350 -0.102 0.000 0.249 515 T C 0.861 175.577 174.700 0.026 0.000 1.050 515 T CA 0.761 62.879 62.100 0.031 0.000 1.088 515 T CB -0.239 68.643 68.868 0.023 0.000 0.946 515 T HN 0.378 nan 8.240 nan 0.000 0.480 516 L N 2.960 124.198 121.223 0.026 0.000 2.483 516 L HA 0.674 4.952 4.340 -0.102 0.000 0.275 516 L C 1.054 177.938 176.870 0.023 0.000 1.220 516 L CA -0.053 54.801 54.840 0.022 0.000 0.833 516 L CB -0.766 41.304 42.059 0.020 0.000 1.102 516 L HN 0.622 nan 8.230 nan 0.000 0.490 517 S N 0.307 116.019 115.700 0.020 0.000 2.580 517 S HA 0.050 4.458 4.470 -0.102 0.000 0.261 517 S C 1.065 175.674 174.600 0.014 0.000 1.366 517 S CA 0.698 58.908 58.200 0.017 0.000 0.996 517 S CB 0.421 63.632 63.200 0.018 0.000 0.902 517 S HN 1.031 nan 8.310 nan 0.000 0.566 518 E N 1.580 121.784 120.200 0.007 0.000 2.038 518 E HA -0.124 4.165 4.350 -0.102 0.000 0.195 518 E C 2.473 179.066 176.600 -0.012 0.000 1.000 518 E CA 2.450 58.846 56.400 -0.006 0.000 0.803 518 E CB -1.156 28.534 29.700 -0.016 0.000 0.750 518 E HN 0.804 nan 8.360 nan 0.000 0.448 519 K N 0.368 120.766 120.400 -0.004 0.000 2.020 519 K HA -0.198 4.061 4.320 -0.102 0.000 0.212 519 K C 2.324 178.933 176.600 0.015 0.000 1.050 519 K CA 2.657 58.946 56.287 0.005 0.000 0.929 519 K CB -1.927 30.585 32.500 0.020 0.000 0.714 519 K HN 0.496 nan 8.250 nan 0.000 0.443 520 E N 1.167 121.377 120.200 0.018 0.000 2.463 520 E HA -0.170 4.119 4.350 -0.102 0.000 0.201 520 E C 2.117 178.732 176.600 0.026 0.000 1.045 520 E CA 1.380 57.793 56.400 0.021 0.000 0.872 520 E CB -0.554 29.157 29.700 0.018 0.000 0.797 520 E HN 0.797 nan 8.360 nan 0.000 0.538 521 R N -1.017 119.498 120.500 0.025 0.000 2.074 521 R HA 0.090 4.369 4.340 -0.102 0.000 0.218 521 R C 2.736 179.065 176.300 0.049 0.000 1.137 521 R CA 0.821 56.945 56.100 0.039 0.000 0.998 521 R CB -0.050 30.271 30.300 0.035 0.000 0.895 521 R HN 0.400 nan 8.270 nan 0.000 0.442 522 Q N 0.929 120.739 119.800 0.017 0.000 2.077 522 Q HA -0.182 4.097 4.340 -0.102 0.000 0.206 522 Q C 2.155 178.238 176.000 0.138 0.000 0.989 522 Q CA 1.642 57.480 55.803 0.058 0.000 0.853 522 Q CB -0.245 28.471 28.738 -0.035 0.000 0.907 522 Q HN 0.361 nan 8.270 nan 0.000 0.418 523 I N 0.809 121.431 120.570 0.087 0.000 2.208 523 I HA -0.328 3.780 4.170 -0.102 0.000 0.245 523 I C 2.791 178.938 176.117 0.050 0.000 1.097 523 I CA 1.775 63.116 61.300 0.068 0.000 1.363 523 I CB -0.627 37.398 38.000 0.042 0.000 1.051 523 I HN 0.233 nan 8.210 nan 0.000 0.413 524 K N 1.040 121.466 120.400 0.044 0.000 2.148 524 K HA -0.139 4.119 4.320 -0.102 0.000 0.204 524 K C 2.027 178.650 176.600 0.037 0.000 1.050 524 K CA 1.269 57.572 56.287 0.027 0.000 0.942 524 K CB -0.582 31.936 32.500 0.031 0.000 0.724 524 K HN 0.344 nan 8.250 nan 0.000 0.446 525 K N -0.069 120.378 120.400 0.078 0.000 2.057 525 K HA -0.111 4.147 4.320 -0.102 0.000 0.206 525 K C 2.593 179.223 176.600 0.050 0.000 1.050 525 K CA 1.544 57.886 56.287 0.090 0.000 0.935 525 K CB 0.025 32.639 32.500 0.191 0.000 0.715 525 K HN 0.540 nan 8.250 nan 0.000 0.439 526 Q N -0.368 119.480 119.800 0.080 0.000 2.167 526 Q HA -0.088 4.190 4.340 -0.102 0.000 0.202 526 Q C 1.833 177.827 176.000 -0.010 0.000 0.970 526 Q CA 1.480 57.305 55.803 0.036 0.000 0.855 526 Q CB 0.098 28.871 28.738 0.058 0.000 0.911 526 Q HN 0.233 nan 8.270 nan 0.000 0.438 527 T N 0.513 115.061 114.554 -0.009 0.000 2.915 527 T HA -0.097 4.192 4.350 -0.102 0.000 0.269 527 T C 1.757 176.429 174.700 -0.047 0.000 1.071 527 T CA 0.994 63.077 62.100 -0.029 0.000 1.132 527 T CB -0.105 68.748 68.868 -0.026 0.000 0.878 527 T HN 0.368 nan 8.240 nan 0.000 0.479 528 A N 1.354 124.134 122.820 -0.066 0.000 1.872 528 A HA 0.080 4.339 4.320 -0.102 0.000 0.214 528 A C 2.167 179.665 177.584 -0.143 0.000 1.187 528 A CA 0.938 52.902 52.037 -0.121 0.000 0.614 528 A CB -0.823 18.021 19.000 -0.261 0.000 0.826 528 A HN 0.397 nan 8.150 nan 0.000 0.442 529 L N 0.111 121.261 121.223 -0.123 0.000 2.081 529 L HA -0.143 4.136 4.340 -0.102 0.000 0.212 529 L C 2.352 179.193 176.870 -0.049 0.000 1.080 529 L CA 1.790 56.585 54.840 -0.075 0.000 0.754 529 L CB -0.492 41.541 42.059 -0.044 0.000 0.893 529 L HN 0.169 nan 8.230 nan 0.000 0.433 530 V N -0.495 119.389 119.914 -0.051 0.000 2.237 530 V HA -0.246 3.813 4.120 -0.102 0.000 0.245 530 V C 2.614 178.681 176.094 -0.044 0.000 1.046 530 V CA 1.861 64.134 62.300 -0.044 0.000 1.007 530 V CB -0.656 31.139 31.823 -0.046 0.000 0.638 530 V HN 0.424 nan 8.190 nan 0.000 0.445 531 E N -0.077 120.086 120.200 -0.062 0.000 2.147 531 E HA -0.225 4.064 4.350 -0.102 0.000 0.199 531 E C 2.166 178.730 176.600 -0.060 0.000 1.005 531 E CA 1.299 57.648 56.400 -0.084 0.000 0.810 531 E CB -0.370 29.243 29.700 -0.145 0.000 0.736 531 E HN 0.498 nan 8.360 nan 0.000 0.460 532 L N 0.102 121.299 121.223 -0.043 0.000 1.948 532 L HA -0.191 4.087 4.340 -0.102 0.000 0.212 532 L C 2.530 179.419 176.870 0.032 0.000 1.074 532 L CA 1.115 55.960 54.840 0.009 0.000 0.753 532 L CB -0.692 41.387 42.059 0.032 0.000 0.888 532 L HN 0.012 nan 8.230 nan 0.000 0.432 533 V N 0.071 119.999 119.914 0.024 0.000 2.527 533 V HA -0.344 3.715 4.120 -0.102 0.000 0.255 533 V C 2.384 178.519 176.094 0.069 0.000 1.081 533 V CA 1.792 64.113 62.300 0.036 0.000 1.092 533 V CB -0.796 31.032 31.823 0.009 0.000 0.673 533 V HN 0.459 nan 8.190 nan 0.000 0.470 534 K N -0.864 119.574 120.400 0.065 0.000 2.167 534 K HA -0.069 4.190 4.320 -0.102 0.000 0.203 534 K C 2.220 178.962 176.600 0.237 0.000 1.052 534 K CA 1.352 57.739 56.287 0.166 0.000 0.956 534 K CB -0.369 32.194 32.500 0.105 0.000 0.735 534 K HN 0.792 nan 8.250 nan 0.000 0.451 535 H N 0.917 120.052 119.070 0.108 0.000 2.512 535 H HA 0.177 4.672 4.556 -0.102 0.000 0.279 535 H C 1.172 176.541 175.328 0.068 0.000 0.999 535 H CA 1.243 57.334 56.048 0.071 0.000 1.283 535 H CB -0.095 29.696 29.762 0.049 0.000 1.421 535 H HN 0.215 nan 8.280 nan 0.000 0.554 536 K N 0.898 121.349 120.400 0.085 0.000 2.992 536 K HA 0.481 4.740 4.320 -0.102 0.000 0.178 536 K C -2.440 174.209 176.600 0.083 0.000 1.122 536 K CA -0.654 55.675 56.287 0.070 0.000 0.926 536 K CB 0.253 32.789 32.500 0.061 0.000 1.121 536 K HN 0.326 nan 8.250 nan 0.000 0.610 537 P HA -0.213 nan 4.420 nan 0.000 0.212 537 P C 2.020 179.362 177.300 0.070 0.000 1.178 537 P CA 2.592 65.763 63.100 0.119 0.000 0.915 537 P CB 0.238 32.065 31.700 0.211 0.000 0.788 538 K N -0.520 119.917 120.400 0.061 0.000 2.589 538 K HA 0.077 4.336 4.320 -0.102 0.000 0.195 538 K C 1.165 177.786 176.600 0.034 0.000 1.042 538 K CA 1.304 57.614 56.287 0.040 0.000 0.940 538 K CB -1.744 30.774 32.500 0.031 0.000 0.776 538 K HN 0.395 nan 8.250 nan 0.000 0.487 539 A N 0.969 123.814 122.820 0.040 0.000 2.366 539 A HA 0.501 4.759 4.320 -0.102 0.000 0.250 539 A C 0.883 178.487 177.584 0.034 0.000 1.099 539 A CA 0.423 52.484 52.037 0.039 0.000 0.794 539 A CB 0.087 19.116 19.000 0.049 0.000 1.056 539 A HN 0.778 nan 8.150 nan 0.000 0.499 540 T N -3.095 111.479 114.554 0.033 0.000 2.950 540 T HA 0.642 4.930 4.350 -0.102 0.000 0.288 540 T C 0.906 175.625 174.700 0.032 0.000 1.035 540 T CA -0.001 62.116 62.100 0.028 0.000 1.028 540 T CB 1.437 70.320 68.868 0.025 0.000 1.109 540 T HN 0.988 nan 8.240 nan 0.000 0.514 541 K N 0.207 120.622 120.400 0.026 0.000 2.515 541 K HA -0.006 4.252 4.320 -0.102 0.000 0.196 541 K C 1.706 178.326 176.600 0.034 0.000 1.038 541 K CA 1.187 57.490 56.287 0.027 0.000 0.967 541 K CB -0.919 31.593 32.500 0.020 0.000 0.780 541 K HN 0.744 nan 8.250 nan 0.000 0.483 542 E N 0.679 120.900 120.200 0.034 0.000 2.024 542 E HA -0.121 4.168 4.350 -0.102 0.000 0.190 542 E C 2.274 178.901 176.600 0.046 0.000 0.974 542 E CA 1.217 57.639 56.400 0.036 0.000 0.810 542 E CB -0.437 29.281 29.700 0.030 0.000 0.775 542 E HN 0.777 nan 8.360 nan 0.000 0.453 543 Q N 1.012 120.841 119.800 0.048 0.000 2.002 543 Q HA -0.102 4.177 4.340 -0.102 0.000 0.204 543 Q C 2.578 178.627 176.000 0.082 0.000 0.988 543 Q CA 1.341 57.179 55.803 0.059 0.000 0.843 543 Q CB -0.457 28.315 28.738 0.056 0.000 0.908 543 Q HN 0.152 nan 8.270 nan 0.000 0.420 544 L N 0.790 122.062 121.223 0.082 0.000 2.030 544 L HA -0.372 3.906 4.340 -0.102 0.000 0.222 544 L C 2.886 179.828 176.870 0.119 0.000 1.082 544 L CA 2.216 57.117 54.840 0.103 0.000 0.785 544 L CB -1.317 40.784 42.059 0.070 0.000 0.895 544 L HN 0.356 nan 8.230 nan 0.000 0.439 545 K N 0.219 120.671 120.400 0.087 0.000 1.971 545 K HA -0.203 4.055 4.320 -0.102 0.000 0.221 545 K C 2.265 178.932 176.600 0.112 0.000 1.050 545 K CA 2.022 58.360 56.287 0.086 0.000 0.967 545 K CB -1.675 30.860 32.500 0.060 0.000 0.733 545 K HN 0.431 nan 8.250 nan 0.000 0.445 546 A N 0.362 123.235 122.820 0.089 0.000 1.985 546 A HA -0.128 4.131 4.320 -0.102 0.000 0.223 546 A C 2.612 180.262 177.584 0.111 0.000 1.189 546 A CA 2.498 54.585 52.037 0.083 0.000 0.658 546 A CB -0.906 18.129 19.000 0.058 0.000 0.820 546 A HN 0.500 nan 8.150 nan 0.000 0.464 547 V N -0.768 119.237 119.914 0.152 0.000 2.283 547 V HA -0.273 3.785 4.120 -0.102 0.000 0.243 547 V C 2.519 178.840 176.094 0.378 0.000 1.039 547 V CA 2.264 64.691 62.300 0.211 0.000 1.016 547 V CB -0.738 31.254 31.823 0.282 0.000 0.650 547 V HN 0.730 nan 8.190 nan 0.000 0.449 548 M N 1.268 121.112 119.600 0.406 0.000 2.144 548 M HA -0.218 4.201 4.480 -0.102 0.000 0.260 548 M C 1.542 178.070 176.300 0.380 0.000 1.067 548 M CA 1.885 57.454 55.300 0.449 0.000 1.095 548 M CB -0.982 31.761 32.600 0.239 0.000 1.365 548 M HN 0.342 nan 8.290 nan 0.000 0.406 549 D N 0.368 120.914 120.400 0.243 0.000 2.144 549 D HA -0.169 4.410 4.640 -0.102 0.000 0.199 549 D C 1.738 178.134 176.300 0.159 0.000 0.984 549 D CA 1.420 55.524 54.000 0.174 0.000 0.834 549 D CB -0.563 40.300 40.800 0.106 0.000 0.955 549 D HN 0.480 nan 8.370 nan 0.000 0.465 550 D N -0.151 120.339 120.400 0.150 0.000 2.078 550 D HA -0.110 4.469 4.640 -0.102 0.000 0.193 550 D C 2.097 178.592 176.300 0.324 0.000 0.990 550 D CA 0.570 54.621 54.000 0.084 0.000 0.827 550 D CB -0.375 40.468 40.800 0.071 0.000 0.975 550 D HN 0.168 nan 8.370 nan 0.000 0.451 551 F N 1.633 121.939 119.950 0.593 0.000 2.147 551 F HA -0.260 4.207 4.527 -0.100 0.000 0.301 551 F C 2.499 178.577 175.800 0.464 0.000 1.084 551 F CA 1.107 59.479 58.000 0.620 0.000 1.268 551 F CB -0.639 38.524 39.000 0.273 0.000 1.009 551 F HN -0.047 nan 8.300 nan 0.000 0.486 552 A N 0.223 123.315 122.820 0.452 0.000 1.883 552 A HA -0.143 4.115 4.320 -0.102 0.000 0.217 552 A C 2.454 180.150 177.584 0.187 0.000 1.186 552 A CA 1.985 54.188 52.037 0.276 0.000 0.624 552 A CB -1.378 17.744 19.000 0.204 0.000 0.822 552 A HN 0.336 nan 8.150 nan 0.000 0.444 553 A N -0.994 121.878 122.820 0.087 0.000 1.908 553 A HA -0.032 4.227 4.320 -0.102 0.000 0.218 553 A C 1.959 179.473 177.584 -0.118 0.000 1.181 553 A CA 1.634 53.615 52.037 -0.092 0.000 0.627 553 A CB -0.826 18.010 19.000 -0.273 0.000 0.818 553 A HN 0.490 nan 8.150 nan 0.000 0.445 554 F N 0.169 120.120 119.950 0.001 0.000 2.069 554 F HA -0.190 4.276 4.527 -0.102 0.000 0.298 554 F C 2.478 178.256 175.800 -0.035 0.000 1.113 554 F CA 1.721 59.695 58.000 -0.042 0.000 1.214 554 F CB -0.971 38.030 39.000 0.002 0.000 0.978 554 F HN 0.045 nan 8.300 nan 0.000 0.474 555 V N 1.042 121.129 119.914 0.288 0.000 2.237 555 V HA -0.314 3.745 4.120 -0.102 0.000 0.245 555 V C 2.333 178.501 176.094 0.123 0.000 1.046 555 V CA 2.219 64.654 62.300 0.225 0.000 1.007 555 V CB -1.314 30.658 31.823 0.248 0.000 0.638 555 V HN 0.494 nan 8.190 nan 0.000 0.445 556 E N 1.097 121.354 120.200 0.094 0.000 2.147 556 E HA -0.306 3.983 4.350 -0.102 0.000 0.199 556 E C 2.006 178.614 176.600 0.014 0.000 1.005 556 E CA 1.786 58.214 56.400 0.047 0.000 0.810 556 E CB -0.286 29.430 29.700 0.028 0.000 0.736 556 E HN 0.635 nan 8.360 nan 0.000 0.460 557 K N 0.402 120.792 120.400 -0.017 0.000 1.993 557 K HA -0.042 4.217 4.320 -0.102 0.000 0.220 557 K C 2.317 178.881 176.600 -0.060 0.000 1.028 557 K CA 1.159 57.412 56.287 -0.058 0.000 0.994 557 K CB -0.756 31.677 32.500 -0.112 0.000 0.788 557 K HN 0.142 nan 8.250 nan 0.000 0.445 558 c N 1.162 119.682 118.600 -0.133 0.000 2.397 558 c HA -0.233 4.275 4.570 -0.102 0.000 0.279 558 c C 2.806 176.889 174.090 -0.012 0.000 1.206 558 c CA 0.580 56.800 56.329 -0.183 0.000 1.818 558 c CB -1.013 41.118 42.510 -0.632 0.000 2.087 558 c HN 0.621 nan 8.230 nan 0.000 0.488 559 c N -0.273 118.360 118.600 0.055 0.000 2.491 559 c HA 0.072 4.581 4.570 -0.102 0.000 0.277 559 c C 2.323 176.453 174.090 0.067 0.000 1.455 559 c CA 1.597 57.995 56.329 0.116 0.000 1.758 559 c CB -1.477 41.109 42.510 0.127 0.000 1.745 559 c HN 0.769 nan 8.230 nan 0.000 0.558 560 K N -0.868 119.552 120.400 0.032 0.000 2.501 560 K HA 0.703 4.961 4.320 -0.102 0.000 0.204 560 K C 0.181 176.786 176.600 0.007 0.000 1.067 560 K CA 0.661 56.959 56.287 0.019 0.000 1.060 560 K CB -0.012 32.493 32.500 0.008 0.000 0.873 560 K HN 0.410 nan 8.250 nan 0.000 0.540 561 A N 0.084 122.907 122.820 0.006 0.000 2.306 561 A HA 0.573 4.832 4.320 -0.102 0.000 0.314 561 A C 0.926 178.520 177.584 0.017 0.000 1.164 561 A CA 0.400 52.435 52.037 -0.003 0.000 0.822 561 A CB 0.430 19.413 19.000 -0.027 0.000 1.130 561 A HN 0.557 nan 8.150 nan 0.000 0.496 562 D N 1.450 121.857 120.400 0.013 0.000 2.339 562 D HA 0.140 4.719 4.640 -0.102 0.000 0.217 562 D C 0.480 176.794 176.300 0.023 0.000 1.050 562 D CA 0.519 54.531 54.000 0.020 0.000 0.856 562 D CB -0.331 40.477 40.800 0.014 0.000 0.922 562 D HN 0.812 nan 8.370 nan 0.000 0.518 563 D N -0.021 120.392 120.400 0.022 0.000 2.361 563 D HA 0.344 4.922 4.640 -0.102 0.000 0.239 563 D C 0.719 177.044 176.300 0.042 0.000 1.200 563 D CA 0.285 54.300 54.000 0.026 0.000 0.915 563 D CB 0.519 41.331 40.800 0.020 0.000 1.170 563 D HN 0.434 nan 8.370 nan 0.000 0.444 564 K N -0.303 120.122 120.400 0.041 0.000 2.402 564 K HA 0.319 4.577 4.320 -0.102 0.000 0.265 564 K C 1.205 177.852 176.600 0.078 0.000 0.978 564 K CA 0.663 56.980 56.287 0.051 0.000 0.913 564 K CB -1.214 31.311 32.500 0.042 0.000 0.954 564 K HN 0.769 nan 8.250 nan 0.000 0.511 565 E N 0.730 120.988 120.200 0.096 0.000 2.902 565 E HA 0.026 4.315 4.350 -0.102 0.000 0.231 565 E C 1.282 177.991 176.600 0.183 0.000 1.422 565 E CA 0.993 57.491 56.400 0.164 0.000 1.418 565 E CB -1.578 28.197 29.700 0.125 0.000 1.323 565 E HN 0.809 nan 8.360 nan 0.000 0.428 566 T N -4.415 110.217 114.554 0.129 0.000 3.086 566 T HA -0.018 4.271 4.350 -0.102 0.000 0.250 566 T C 2.058 176.814 174.700 0.093 0.000 1.074 566 T CA 0.579 62.742 62.100 0.104 0.000 0.988 566 T CB -1.031 67.872 68.868 0.059 0.000 0.988 566 T HN 0.886 nan 8.240 nan 0.000 0.530 567 c N -0.278 118.371 118.600 0.083 0.000 2.449 567 c HA 0.252 4.761 4.570 -0.102 0.000 0.283 567 c C 1.898 175.942 174.090 -0.077 0.000 1.453 567 c CA -0.338 55.978 56.329 -0.021 0.000 1.779 567 c CB -2.285 40.175 42.510 -0.083 0.000 1.779 567 c HN 0.434 nan 8.230 nan 0.000 0.546 568 F N 1.316 121.258 119.950 -0.012 0.000 2.505 568 F HA 0.314 4.779 4.527 -0.102 0.000 0.289 568 F C 2.704 178.455 175.800 -0.083 0.000 1.101 568 F CA 0.892 58.859 58.000 -0.055 0.000 1.446 568 F CB -0.499 38.465 39.000 -0.060 0.000 1.123 568 F HN 0.182 nan 8.300 nan 0.000 0.564 569 A N 0.697 123.601 122.820 0.141 0.000 1.865 569 A HA -0.198 4.061 4.320 -0.102 0.000 0.217 569 A C 2.126 179.726 177.584 0.028 0.000 1.191 569 A CA 2.529 54.603 52.037 0.062 0.000 0.623 569 A CB -1.335 17.699 19.000 0.057 0.000 0.826 569 A HN 0.357 nan 8.150 nan 0.000 0.444 570 E N 0.026 120.239 120.200 0.022 0.000 2.016 570 E HA -0.158 4.130 4.350 -0.102 0.000 0.190 570 E C 1.754 178.349 176.600 -0.010 0.000 0.985 570 E CA 1.297 57.698 56.400 0.003 0.000 0.802 570 E CB -0.869 28.831 29.700 -0.001 0.000 0.762 570 E HN 0.817 nan 8.360 nan 0.000 0.448 571 E N -0.069 120.116 120.200 -0.025 0.000 2.347 571 E HA 0.035 4.323 4.350 -0.102 0.000 0.196 571 E C 2.214 178.800 176.600 -0.023 0.000 1.008 571 E CA 0.344 56.731 56.400 -0.021 0.000 0.852 571 E CB 0.073 29.740 29.700 -0.055 0.000 0.783 571 E HN 0.499 nan 8.360 nan 0.000 0.505 572 G N 1.296 110.064 108.800 -0.053 0.000 2.430 572 G HA2 -0.257 3.642 3.960 -0.102 0.000 0.216 572 G HA3 -0.257 3.642 3.960 -0.102 0.000 0.216 572 G C 1.754 176.583 174.900 -0.119 0.000 1.146 572 G CA 0.948 45.967 45.100 -0.135 0.000 0.793 572 G HN 0.324 nan 8.290 nan 0.000 0.537 573 K N 0.213 120.581 120.400 -0.053 0.000 2.305 573 K HA 0.371 4.630 4.320 -0.102 0.000 0.199 573 K C 2.456 179.041 176.600 -0.026 0.000 1.047 573 K CA 1.570 57.839 56.287 -0.030 0.000 0.976 573 K CB -0.767 31.729 32.500 -0.008 0.000 0.765 573 K HN 0.557 nan 8.250 nan 0.000 0.474 574 K N 0.311 120.704 120.400 -0.013 0.000 2.031 574 K HA 0.335 4.594 4.320 -0.102 0.000 0.205 574 K C 2.737 179.355 176.600 0.029 0.000 1.049 574 K CA 1.684 57.979 56.287 0.013 0.000 0.939 574 K CB -1.642 30.878 32.500 0.032 0.000 0.717 574 K HN 0.770 nan 8.250 nan 0.000 0.438 575 L N 0.576 121.814 121.223 0.025 0.000 2.141 575 L HA 0.047 4.326 4.340 -0.102 0.000 0.209 575 L C 2.844 179.667 176.870 -0.079 0.000 1.094 575 L CA 2.216 57.028 54.840 -0.047 0.000 0.763 575 L CB -1.375 40.388 42.059 -0.493 0.000 0.908 575 L HN 0.325 nan 8.230 nan 0.000 0.437 576 V N 0.238 120.110 119.914 -0.069 0.000 2.407 576 V HA -0.257 3.801 4.120 -0.102 0.000 0.248 576 V C 3.159 179.195 176.094 -0.096 0.000 1.055 576 V CA 1.829 64.076 62.300 -0.089 0.000 1.049 576 V CB -1.186 30.572 31.823 -0.108 0.000 0.662 576 V HN 0.793 nan 8.190 nan 0.000 0.455 577 A N -0.068 122.718 122.820 -0.058 0.000 1.898 577 A HA -0.057 4.202 4.320 -0.102 0.000 0.216 577 A C 2.427 179.993 177.584 -0.030 0.000 1.181 577 A CA 1.960 53.971 52.037 -0.044 0.000 0.620 577 A CB -0.709 18.276 19.000 -0.025 0.000 0.819 577 A HN 0.550 nan 8.150 nan 0.000 0.442 578 A N 0.458 123.270 122.820 -0.013 0.000 1.873 578 A HA -0.079 4.179 4.320 -0.102 0.000 0.215 578 A C 2.527 180.108 177.584 -0.005 0.000 1.186 578 A CA 2.379 54.416 52.037 -0.000 0.000 0.616 578 A CB -1.138 17.880 19.000 0.030 0.000 0.823 578 A HN 0.935 nan 8.150 nan 0.000 0.442 579 S N -0.644 115.049 115.700 -0.012 0.000 2.359 579 S HA -0.264 4.144 4.470 -0.102 0.000 0.222 579 S C 2.278 176.884 174.600 0.009 0.000 1.038 579 S CA 2.313 60.528 58.200 0.025 0.000 1.051 579 S CB -1.359 61.883 63.200 0.072 0.000 0.944 579 S HN 1.009 nan 8.310 nan 0.000 0.433 580 Q N 1.260 121.037 119.800 -0.040 0.000 2.197 580 Q HA 0.092 4.371 4.340 -0.102 0.000 0.207 580 Q C 2.487 178.477 176.000 -0.017 0.000 0.984 580 Q CA 2.273 58.049 55.803 -0.046 0.000 0.869 580 Q CB -1.634 27.055 28.738 -0.082 0.000 0.906 580 Q HN 1.029 nan 8.270 nan 0.000 0.426 581 A N 0.398 123.212 122.820 -0.011 0.000 1.933 581 A HA 0.422 4.680 4.320 -0.102 0.000 0.218 581 A C 1.857 179.447 177.584 0.009 0.000 1.175 581 A CA 1.358 53.394 52.037 -0.002 0.000 0.628 581 A CB -0.710 18.289 19.000 -0.002 0.000 0.814 581 A HN 1.164 nan 8.150 nan 0.000 0.444 582 A N 0.000 122.832 122.820 0.020 0.000 2.254 582 A HA 0.000 4.259 4.320 -0.102 0.000 0.244 582 A CA 0.000 52.057 52.037 0.033 0.000 0.836 582 A CB 0.000 19.031 19.000 0.051 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486