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 2bxe_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVAXXXXXX XXXADccAKQ 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 0.000 174.641 174.600 0.069 0.000 1.055 5 S CA 0.000 58.219 58.200 0.031 0.000 1.107 5 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 6 E N 3.281 123.521 120.200 0.065 0.000 2.028 6 E HA -0.016 4.216 4.350 -0.197 0.000 0.190 6 E C 1.831 178.498 176.600 0.112 0.000 0.984 6 E CA 2.187 58.643 56.400 0.094 0.000 0.800 6 E CB -0.376 29.359 29.700 0.059 0.000 0.758 6 E HN 0.565 nan 8.360 nan 0.000 0.448 7 V N 1.293 121.244 119.914 0.061 0.000 2.324 7 V HA -0.326 3.676 4.120 -0.197 0.000 0.250 7 V C 2.415 178.575 176.094 0.110 0.000 1.060 7 V CA 2.021 64.381 62.300 0.100 0.000 1.042 7 V CB -1.241 30.535 31.823 -0.079 0.000 0.650 7 V HN 0.414 nan 8.190 nan 0.000 0.450 8 A N -0.434 122.401 122.820 0.025 0.000 1.865 8 A HA -0.313 3.889 4.320 -0.197 0.000 0.217 8 A C 2.238 179.905 177.584 0.139 0.000 1.191 8 A CA 2.181 54.222 52.037 0.006 0.000 0.623 8 A CB -0.927 18.054 19.000 -0.032 0.000 0.826 8 A HN 0.686 nan 8.150 nan 0.000 0.444 9 H N 0.503 119.600 119.070 0.045 0.000 2.252 9 H HA -0.165 4.274 4.556 -0.195 0.000 0.292 9 H C 2.216 177.604 175.328 0.099 0.000 1.082 9 H CA 2.353 58.438 56.048 0.062 0.000 1.229 9 H CB -0.221 29.572 29.762 0.053 0.000 1.353 9 H HN 0.305 nan 8.280 nan 0.000 0.488 10 R N -0.328 120.358 120.500 0.310 0.000 2.091 10 R HA -0.143 4.079 4.340 -0.197 0.000 0.238 10 R C 2.566 179.026 176.300 0.266 0.000 1.136 10 R CA 1.095 57.329 56.100 0.223 0.000 0.959 10 R CB -1.594 28.821 30.300 0.191 0.000 0.856 10 R HN 0.349 nan 8.270 nan 0.000 0.437 11 F N 3.166 123.161 119.950 0.076 0.000 2.025 11 F HA -0.295 4.115 4.527 -0.195 0.000 0.297 11 F C 2.106 177.874 175.800 -0.053 0.000 1.132 11 F CA 1.844 59.751 58.000 -0.156 0.000 1.191 11 F CB -0.210 38.522 39.000 -0.446 0.000 0.963 11 F HN -0.114 nan 8.300 nan 0.000 0.481 12 K N 0.252 120.873 120.400 0.368 0.000 2.034 12 K HA -0.250 3.952 4.320 -0.197 0.000 0.214 12 K C 1.793 178.465 176.600 0.121 0.000 1.051 12 K CA 2.048 58.476 56.287 0.235 0.000 0.931 12 K CB -1.395 31.190 32.500 0.141 0.000 0.715 12 K HN 0.385 nan 8.250 nan 0.000 0.446 13 D N 0.879 121.361 120.400 0.136 0.000 2.104 13 D HA -0.119 4.403 4.640 -0.197 0.000 0.194 13 D C 2.150 178.480 176.300 0.050 0.000 0.994 13 D CA 1.137 55.201 54.000 0.107 0.000 0.830 13 D CB -0.068 40.829 40.800 0.162 0.000 0.959 13 D HN 0.209 nan 8.370 nan 0.000 0.452 14 L N -0.445 120.790 121.223 0.020 0.000 2.416 14 L HA 0.217 4.439 4.340 -0.197 0.000 0.216 14 L C 1.307 178.114 176.870 -0.105 0.000 1.098 14 L CA 0.287 55.114 54.840 -0.021 0.000 0.840 14 L CB -0.126 41.945 42.059 0.020 0.000 0.981 14 L HN 0.066 nan 8.230 nan 0.000 0.462 15 G N 1.159 109.821 108.800 -0.231 0.000 2.756 15 G HA2 -0.246 3.596 3.960 -0.197 0.000 0.678 15 G HA3 -0.246 3.596 3.960 -0.197 0.000 0.678 15 G C 0.507 175.037 174.900 -0.617 0.000 1.349 15 G CA 0.078 44.994 45.100 -0.307 0.000 0.847 15 G HN 0.421 nan 8.290 nan 0.000 0.548 16 E N -0.304 119.591 120.200 -0.508 0.000 2.028 16 E HA -0.096 4.136 4.350 -0.197 0.000 0.190 16 E C 1.913 178.439 176.600 -0.123 0.000 0.984 16 E CA 1.314 57.456 56.400 -0.431 0.000 0.800 16 E CB -0.147 29.532 29.700 -0.036 0.000 0.758 16 E HN 0.709 nan 8.360 nan 0.000 0.448 17 E N 1.125 121.291 120.200 -0.056 0.000 2.026 17 E HA -0.262 3.970 4.350 -0.197 0.000 0.206 17 E C 2.074 178.677 176.600 0.005 0.000 1.028 17 E CA 1.896 58.296 56.400 0.001 0.000 0.845 17 E CB -0.053 29.652 29.700 0.008 0.000 0.772 17 E HN 0.237 nan 8.360 nan 0.000 0.462 18 N N -0.065 118.627 118.700 -0.014 0.000 2.120 18 N HA -0.177 4.445 4.740 -0.197 0.000 0.188 18 N C 1.689 177.195 175.510 -0.008 0.000 1.024 18 N CA 1.099 54.142 53.050 -0.012 0.000 0.852 18 N CB -0.608 37.869 38.487 -0.016 0.000 1.003 18 N HN 0.227 nan 8.380 nan 0.000 0.424 19 F N 2.124 121.959 119.950 -0.192 0.000 2.095 19 F HA -0.157 4.254 4.527 -0.194 0.000 0.298 19 F C 2.250 177.979 175.800 -0.118 0.000 1.104 19 F CA 1.500 59.387 58.000 -0.189 0.000 1.232 19 F CB -0.079 38.703 39.000 -0.364 0.000 0.987 19 F HN -0.102 nan 8.300 nan 0.000 0.475 20 K N 0.141 120.638 120.400 0.162 0.000 2.009 20 K HA -0.194 4.008 4.320 -0.197 0.000 0.210 20 K C 2.316 178.884 176.600 -0.053 0.000 1.049 20 K CA 1.281 57.621 56.287 0.089 0.000 0.929 20 K CB -0.586 31.988 32.500 0.124 0.000 0.714 20 K HN 0.384 nan 8.250 nan 0.000 0.440 21 A N 1.442 124.239 122.820 -0.039 0.000 1.851 21 A HA -0.183 4.019 4.320 -0.197 0.000 0.216 21 A C 2.136 179.636 177.584 -0.141 0.000 1.195 21 A CA 1.447 53.449 52.037 -0.058 0.000 0.622 21 A CB -0.873 18.111 19.000 -0.026 0.000 0.831 21 A HN 0.254 nan 8.150 nan 0.000 0.444 22 L N -0.370 120.745 121.223 -0.179 0.000 2.051 22 L HA -0.230 3.992 4.340 -0.197 0.000 0.214 22 L C 2.508 179.167 176.870 -0.352 0.000 1.076 22 L CA 1.461 56.154 54.840 -0.245 0.000 0.758 22 L CB -0.641 41.267 42.059 -0.252 0.000 0.890 22 L HN 0.282 nan 8.230 nan 0.000 0.433 23 V N -0.465 119.185 119.914 -0.440 0.000 2.515 23 V HA -0.246 3.756 4.120 -0.197 0.000 0.250 23 V C 2.278 178.022 176.094 -0.584 0.000 1.058 23 V CA 1.288 63.247 62.300 -0.569 0.000 1.064 23 V CB -0.316 31.161 31.823 -0.576 0.000 0.675 23 V HN 0.320 nan 8.190 nan 0.000 0.461 24 L N 0.154 121.188 121.223 -0.315 0.000 2.017 24 L HA -0.106 4.116 4.340 -0.197 0.000 0.208 24 L C 2.174 178.942 176.870 -0.169 0.000 1.073 24 L CA 1.871 56.615 54.840 -0.161 0.000 0.745 24 L CB -0.519 41.525 42.059 -0.025 0.000 0.894 24 L HN 0.209 nan 8.230 nan 0.000 0.432 25 I N -0.244 120.211 120.570 -0.193 0.000 2.163 25 I HA -0.328 3.724 4.170 -0.197 0.000 0.243 25 I C 2.588 178.562 176.117 -0.240 0.000 1.085 25 I CA 1.322 62.504 61.300 -0.197 0.000 1.347 25 I CB -0.733 37.151 38.000 -0.193 0.000 1.044 25 I HN 0.375 nan 8.210 nan 0.000 0.408 26 A N 0.544 123.177 122.820 -0.312 0.000 1.978 26 A HA -0.192 4.010 4.320 -0.197 0.000 0.220 26 A C 2.263 179.786 177.584 -0.103 0.000 1.170 26 A CA 1.466 53.297 52.037 -0.344 0.000 0.636 26 A CB -0.942 17.783 19.000 -0.458 0.000 0.810 26 A HN 0.411 nan 8.150 nan 0.000 0.448 27 F N -0.441 119.394 119.950 -0.190 0.000 2.149 27 F HA -0.071 4.337 4.527 -0.198 0.000 0.294 27 F C 2.862 178.463 175.800 -0.332 0.000 1.095 27 F CA 0.365 58.272 58.000 -0.154 0.000 1.276 27 F CB -0.129 38.807 39.000 -0.107 0.000 1.023 27 F HN 0.315 nan 8.300 nan 0.000 0.480 28 A N -0.328 122.317 122.820 -0.292 0.000 2.070 28 A HA -0.197 4.005 4.320 -0.197 0.000 0.220 28 A C 1.923 179.431 177.584 -0.126 0.000 1.159 28 A CA 1.283 53.160 52.037 -0.266 0.000 0.656 28 A CB -0.551 18.352 19.000 -0.161 0.000 0.800 28 A HN 0.452 nan 8.150 nan 0.000 0.453 29 Q N -2.500 117.204 119.800 -0.161 0.000 2.402 29 Q HA 0.016 4.238 4.340 -0.197 0.000 0.206 29 Q C 1.140 177.050 176.000 -0.151 0.000 0.919 29 Q CA 0.584 56.261 55.803 -0.210 0.000 0.923 29 Q CB 0.077 28.610 28.738 -0.342 0.000 1.048 29 Q HN 0.797 nan 8.270 nan 0.000 0.515 30 Y N -0.288 119.976 120.300 -0.060 0.000 2.441 30 Y HA 0.156 4.591 4.550 -0.191 0.000 0.288 30 Y C 0.785 176.694 175.900 0.016 0.000 1.118 30 Y CA 0.384 58.444 58.100 -0.066 0.000 1.215 30 Y CB 0.781 39.100 38.460 -0.235 0.000 1.118 30 Y HN -0.094 nan 8.280 nan 0.000 0.547 31 L N 1.090 122.446 121.223 0.222 0.000 2.502 31 L HA 0.271 4.493 4.340 -0.197 0.000 0.247 31 L C 0.578 177.596 176.870 0.246 0.000 1.180 31 L CA -0.084 54.889 54.840 0.221 0.000 0.956 31 L CB 1.014 43.207 42.059 0.223 0.000 1.282 31 L HN 0.061 nan 8.230 nan 0.000 0.470 32 Q N -0.089 119.802 119.800 0.151 0.000 2.437 32 Q HA -0.176 4.046 4.340 -0.197 0.000 0.210 32 Q C 1.373 177.440 176.000 0.112 0.000 0.972 32 Q CA 1.305 57.165 55.803 0.095 0.000 0.903 32 Q CB 0.196 28.946 28.738 0.020 0.000 0.967 32 Q HN 0.608 nan 8.270 nan 0.000 0.486 33 Q N -0.828 119.047 119.800 0.125 0.000 2.250 33 Q HA 0.035 4.257 4.340 -0.197 0.000 0.200 33 Q C 0.319 176.393 176.000 0.123 0.000 0.941 33 Q CA 0.207 56.071 55.803 0.101 0.000 0.872 33 Q CB 0.388 29.168 28.738 0.069 0.000 0.965 33 Q HN 0.249 nan 8.270 nan 0.000 0.480 34 C N 3.048 122.419 119.300 0.119 0.000 2.634 34 C HA 0.089 4.431 4.460 -0.197 0.000 0.417 34 C C -1.837 173.196 174.990 0.072 0.000 1.334 34 C CA -1.224 57.799 59.018 0.008 0.000 1.829 34 C CB -0.324 27.306 27.740 -0.184 0.000 2.665 34 C HN 0.298 nan 8.230 nan 0.000 0.614 35 P HA 0.054 nan 4.420 nan 0.000 0.272 35 P C 0.627 177.878 177.300 -0.082 0.000 1.240 35 P CA -0.283 62.848 63.100 0.052 0.000 0.791 35 P CB 0.261 31.964 31.700 0.005 0.000 0.978 36 F N 1.940 121.650 119.950 -0.400 0.000 2.095 36 F HA -0.238 4.171 4.527 -0.197 0.000 0.298 36 F C 1.852 177.483 175.800 -0.282 0.000 1.104 36 F CA 1.828 59.423 58.000 -0.676 0.000 1.232 36 F CB -0.637 37.971 39.000 -0.654 0.000 0.987 36 F HN 0.246 nan 8.300 nan 0.000 0.475 37 E N 0.726 120.751 120.200 -0.291 0.000 2.055 37 E HA -0.282 3.950 4.350 -0.197 0.000 0.209 37 E C 1.905 178.328 176.600 -0.294 0.000 1.036 37 E CA 1.926 58.136 56.400 -0.317 0.000 0.849 37 E CB -1.344 28.276 29.700 -0.134 0.000 0.767 37 E HN 0.500 nan 8.360 nan 0.000 0.461 38 D N 0.286 120.545 120.400 -0.235 0.000 2.149 38 D HA -0.163 4.359 4.640 -0.197 0.000 0.198 38 D C 1.952 178.145 176.300 -0.178 0.000 0.990 38 D CA 1.123 54.995 54.000 -0.214 0.000 0.839 38 D CB -0.360 40.290 40.800 -0.250 0.000 0.948 38 D HN 0.319 nan 8.370 nan 0.000 0.460 39 H N 0.706 119.717 119.070 -0.098 0.000 2.276 39 H HA -0.027 4.412 4.556 -0.195 0.000 0.301 39 H C 2.641 177.953 175.328 -0.027 0.000 1.073 39 H CA 0.558 56.617 56.048 0.018 0.000 1.311 39 H CB -0.608 29.209 29.762 0.093 0.000 1.379 39 H HN -0.033 nan 8.280 nan 0.000 0.494 40 V N 1.564 121.402 119.914 -0.128 0.000 2.277 40 V HA -0.344 3.658 4.120 -0.197 0.000 0.253 40 V C 2.609 178.659 176.094 -0.073 0.000 1.067 40 V CA 2.371 64.546 62.300 -0.209 0.000 1.047 40 V CB -0.573 30.912 31.823 -0.562 0.000 0.649 40 V HN 0.371 nan 8.190 nan 0.000 0.447 41 K N -0.017 120.332 120.400 -0.086 0.000 1.978 41 K HA -0.206 3.996 4.320 -0.197 0.000 0.214 41 K C 2.133 178.759 176.600 0.045 0.000 1.049 41 K CA 2.030 58.298 56.287 -0.032 0.000 0.939 41 K CB -0.357 32.109 32.500 -0.056 0.000 0.721 41 K HN 0.417 nan 8.250 nan 0.000 0.441 42 L N 0.771 122.046 121.223 0.087 0.000 2.079 42 L HA -0.202 4.020 4.340 -0.197 0.000 0.210 42 L C 2.445 179.490 176.870 0.292 0.000 1.081 42 L CA 0.857 55.800 54.840 0.172 0.000 0.752 42 L CB -0.455 41.690 42.059 0.144 0.000 0.896 42 L HN 0.105 nan 8.230 nan 0.000 0.433 43 V N 0.077 120.162 119.914 0.284 0.000 2.295 43 V HA -0.272 3.730 4.120 -0.197 0.000 0.246 43 V C 2.303 178.495 176.094 0.163 0.000 1.049 43 V CA 1.886 64.305 62.300 0.198 0.000 1.024 43 V CB -0.608 31.278 31.823 0.105 0.000 0.648 43 V HN 0.501 nan 8.190 nan 0.000 0.447 44 N N 0.113 118.886 118.700 0.123 0.000 2.058 44 N HA -0.186 4.436 4.740 -0.197 0.000 0.191 44 N C 1.841 177.427 175.510 0.127 0.000 1.037 44 N CA 1.618 54.736 53.050 0.112 0.000 0.848 44 N CB -0.338 38.188 38.487 0.066 0.000 1.021 44 N HN 0.590 nan 8.380 nan 0.000 0.422 45 E N 0.405 120.674 120.200 0.114 0.000 2.097 45 E HA -0.140 4.092 4.350 -0.197 0.000 0.196 45 E C 1.984 178.686 176.600 0.170 0.000 1.000 45 E CA 1.030 57.497 56.400 0.112 0.000 0.804 45 E CB 0.033 29.785 29.700 0.087 0.000 0.740 45 E HN 0.107 nan 8.360 nan 0.000 0.454 46 V N 0.780 120.813 119.914 0.199 0.000 2.379 46 V HA -0.199 3.803 4.120 -0.197 0.000 0.245 46 V C 2.278 178.529 176.094 0.262 0.000 1.044 46 V CA 1.988 64.419 62.300 0.218 0.000 1.036 46 V CB -0.576 31.333 31.823 0.143 0.000 0.664 46 V HN 0.314 nan 8.190 nan 0.000 0.453 47 T N -0.419 114.314 114.554 0.298 0.000 2.746 47 T HA -0.223 4.009 4.350 -0.197 0.000 0.267 47 T C 1.824 176.637 174.700 0.188 0.000 1.039 47 T CA 1.708 64.023 62.100 0.358 0.000 1.142 47 T CB -0.210 68.864 68.868 0.344 0.000 0.866 47 T HN 0.547 nan 8.240 nan 0.000 0.444 48 E N 0.126 120.422 120.200 0.160 0.000 2.106 48 E HA -0.032 4.200 4.350 -0.197 0.000 0.192 48 E C 1.817 178.501 176.600 0.141 0.000 0.984 48 E CA 0.587 57.049 56.400 0.103 0.000 0.806 48 E CB -0.226 29.525 29.700 0.084 0.000 0.750 48 E HN 0.584 nan 8.360 nan 0.000 0.458 49 F N 1.037 120.984 119.950 -0.006 0.000 2.126 49 F HA -0.259 4.151 4.527 -0.196 0.000 0.299 49 F C 2.220 177.982 175.800 -0.064 0.000 1.096 49 F CA 0.814 58.799 58.000 -0.026 0.000 1.255 49 F CB 0.056 39.052 39.000 -0.006 0.000 0.997 49 F HN 0.036 nan 8.300 nan 0.000 0.479 50 A N 0.757 123.555 122.820 -0.037 0.000 1.902 50 A HA -0.236 3.966 4.320 -0.197 0.000 0.217 50 A C 2.097 179.454 177.584 -0.379 0.000 1.181 50 A CA 1.879 53.749 52.037 -0.279 0.000 0.623 50 A CB -0.687 18.157 19.000 -0.260 0.000 0.818 50 A HN 0.450 nan 8.150 nan 0.000 0.443 51 K N -0.603 119.586 120.400 -0.351 0.000 2.032 51 K HA -0.156 4.046 4.320 -0.197 0.000 0.209 51 K C 2.245 178.718 176.600 -0.211 0.000 1.048 51 K CA 1.928 57.979 56.287 -0.394 0.000 0.927 51 K CB -0.531 31.831 32.500 -0.230 0.000 0.712 51 K HN 0.733 nan 8.250 nan 0.000 0.441 52 T N -1.277 113.242 114.554 -0.059 0.000 2.929 52 T HA -0.130 4.102 4.350 -0.197 0.000 0.271 52 T C 2.136 176.837 174.700 0.002 0.000 1.085 52 T CA 1.193 63.294 62.100 0.002 0.000 1.125 52 T CB -0.583 68.335 68.868 0.084 0.000 0.874 52 T HN 0.209 nan 8.240 nan 0.000 0.494 53 c N 0.625 119.205 118.600 -0.033 0.000 2.492 53 c HA 0.192 4.644 4.570 -0.197 0.000 0.279 53 c C 2.877 176.904 174.090 -0.104 0.000 1.335 53 c CA 0.039 56.336 56.329 -0.055 0.000 1.734 53 c CB -0.948 41.482 42.510 -0.133 0.000 2.027 53 c HN 0.471 nan 8.230 nan 0.000 0.496 54 V N 1.850 121.650 119.914 -0.190 0.000 2.282 54 V HA -0.264 3.738 4.120 -0.197 0.000 0.249 54 V C 2.603 178.631 176.094 -0.111 0.000 1.057 54 V CA 2.429 64.619 62.300 -0.183 0.000 1.032 54 V CB -1.387 30.259 31.823 -0.295 0.000 0.645 54 V HN 0.615 nan 8.190 nan 0.000 0.447 55 A N 0.222 122.981 122.820 -0.102 0.000 1.822 55 A HA -0.039 4.163 4.320 -0.197 0.000 0.214 55 A C 1.581 179.141 177.584 -0.039 0.000 1.245 55 A CA 1.380 53.379 52.037 -0.063 0.000 0.608 55 A CB -1.196 17.769 19.000 -0.057 0.000 0.896 55 A HN 0.586 nan 8.150 nan 0.000 0.457 56 D N 0.105 120.490 120.400 -0.025 0.000 2.483 56 D HA 0.443 4.965 4.640 -0.197 0.000 0.220 56 D C 0.146 176.447 176.300 0.002 0.000 1.173 56 D CA 0.091 54.087 54.000 -0.007 0.000 0.964 56 D CB -0.364 40.438 40.800 0.003 0.000 1.046 56 D HN 0.541 nan 8.370 nan 0.000 0.517 57 E N 0.543 120.739 120.200 -0.007 0.000 2.780 57 E HA 0.144 4.376 4.350 -0.197 0.000 0.234 57 E C 0.640 177.249 176.600 0.015 0.000 1.425 57 E CA 0.209 56.608 56.400 -0.003 0.000 1.481 57 E CB -0.163 29.530 29.700 -0.011 0.000 1.357 57 E HN 0.434 nan 8.360 nan 0.000 0.431 58 S N -1.552 114.165 115.700 0.029 0.000 2.775 58 S HA 0.246 4.598 4.470 -0.197 0.000 0.227 58 S C 0.532 175.161 174.600 0.048 0.000 0.845 58 S CA 0.150 58.372 58.200 0.037 0.000 1.407 58 S CB -0.154 63.060 63.200 0.023 0.000 1.259 58 S HN 0.371 nan 8.310 nan 0.000 0.612 59 A N 1.947 124.805 122.820 0.062 0.000 3.297 59 A HA 0.344 4.546 4.320 -0.197 0.000 0.150 59 A C 1.820 179.446 177.584 0.070 0.000 0.871 59 A CA 1.735 53.809 52.037 0.063 0.000 1.148 59 A CB -1.577 17.472 19.000 0.082 0.000 0.882 59 A HN 0.903 nan 8.150 nan 0.000 0.534 60 E N -0.674 119.572 120.200 0.076 0.000 1.984 60 E HA -0.175 4.057 4.350 -0.197 0.000 0.203 60 E C 0.903 177.572 176.600 0.115 0.000 0.998 60 E CA 1.986 58.397 56.400 0.018 0.000 0.865 60 E CB -0.797 28.774 29.700 -0.215 0.000 0.806 60 E HN 0.718 nan 8.360 nan 0.000 0.504 61 N N -1.546 117.333 118.700 0.299 0.000 2.588 61 N HA 0.227 4.849 4.740 -0.197 0.000 0.298 61 N C 0.235 175.909 175.510 0.273 0.000 1.718 61 N CA 0.059 53.271 53.050 0.270 0.000 0.888 61 N CB 0.465 39.101 38.487 0.248 0.000 1.389 61 N HN 0.409 nan 8.380 nan 0.000 0.491 62 c N 0.534 119.265 118.600 0.218 0.000 2.443 62 c HA -0.076 4.376 4.570 -0.197 0.000 0.290 62 c C 2.081 176.187 174.090 0.026 0.000 1.476 62 c CA 0.467 56.817 56.329 0.035 0.000 1.772 62 c CB -0.848 41.682 42.510 0.033 0.000 1.714 62 c HN 0.604 nan 8.230 nan 0.000 0.562 63 D N 1.148 121.586 120.400 0.063 0.000 2.194 63 D HA -0.070 4.452 4.640 -0.197 0.000 0.204 63 D C 0.707 177.041 176.300 0.057 0.000 0.964 63 D CA 0.551 54.584 54.000 0.054 0.000 0.846 63 D CB -0.231 40.603 40.800 0.058 0.000 0.962 63 D HN 0.440 nan 8.370 nan 0.000 0.490 64 K N 1.209 121.650 120.400 0.068 0.000 2.286 64 K HA 0.140 4.342 4.320 -0.197 0.000 0.256 64 K C 0.803 177.443 176.600 0.067 0.000 0.999 64 K CA -0.145 56.187 56.287 0.075 0.000 0.908 64 K CB 0.600 33.158 32.500 0.096 0.000 0.981 64 K HN 0.155 nan 8.250 nan 0.000 0.500 65 S N 0.681 116.434 115.700 0.088 0.000 2.614 65 S HA 0.124 4.476 4.470 -0.197 0.000 0.265 65 S C 1.401 176.072 174.600 0.118 0.000 1.303 65 S CA -0.717 57.536 58.200 0.089 0.000 1.000 65 S CB 0.489 63.753 63.200 0.106 0.000 0.935 65 S HN 0.537 nan 8.310 nan 0.000 0.551 66 L N 0.505 121.795 121.223 0.111 0.000 2.012 66 L HA -0.150 4.072 4.340 -0.197 0.000 0.210 66 L C 2.767 179.925 176.870 0.480 0.000 1.073 66 L CA 1.532 56.553 54.840 0.302 0.000 0.748 66 L CB -0.934 41.258 42.059 0.222 0.000 0.891 66 L HN 0.754 nan 8.230 nan 0.000 0.431 67 H N -0.059 119.201 119.070 0.316 0.000 2.265 67 H HA -0.169 4.269 4.556 -0.198 0.000 0.295 67 H C 2.388 177.863 175.328 0.245 0.000 1.084 67 H CA 2.053 58.258 56.048 0.262 0.000 1.261 67 H CB -0.915 28.949 29.762 0.171 0.000 1.360 67 H HN 0.312 nan 8.280 nan 0.000 0.487 68 T N 2.130 116.871 114.554 0.313 0.000 2.624 68 T HA -0.175 4.057 4.350 -0.197 0.000 0.268 68 T C 2.524 177.337 174.700 0.188 0.000 1.041 68 T CA 1.635 63.861 62.100 0.210 0.000 1.159 68 T CB -0.626 68.337 68.868 0.158 0.000 0.863 68 T HN 0.168 nan 8.240 nan 0.000 0.434 69 L N -0.575 120.747 121.223 0.165 0.000 1.970 69 L HA -0.062 4.160 4.340 -0.197 0.000 0.212 69 L C 2.483 179.398 176.870 0.075 0.000 1.071 69 L CA 1.623 56.510 54.840 0.078 0.000 0.751 69 L CB -0.771 41.244 42.059 -0.072 0.000 0.889 69 L HN 0.192 nan 8.230 nan 0.000 0.432 70 F N 0.283 120.347 119.950 0.189 0.000 2.161 70 F HA -0.157 4.255 4.527 -0.192 0.000 0.300 70 F C 2.521 178.372 175.800 0.085 0.000 1.089 70 F CA 1.417 59.574 58.000 0.261 0.000 1.282 70 F CB -1.005 38.187 39.000 0.320 0.000 1.010 70 F HN 0.054 nan 8.300 nan 0.000 0.485 71 G N -0.402 108.542 108.800 0.240 0.000 2.404 71 G HA2 -0.207 3.635 3.960 -0.197 0.000 0.215 71 G HA3 -0.207 3.635 3.960 -0.197 0.000 0.215 71 G C 1.373 176.321 174.900 0.081 0.000 1.174 71 G CA 1.040 46.203 45.100 0.104 0.000 0.780 71 G HN 0.233 nan 8.290 nan 0.000 0.537 72 D N 0.422 120.878 120.400 0.094 0.000 2.144 72 D HA -0.074 4.448 4.640 -0.197 0.000 0.199 72 D C 2.582 178.893 176.300 0.017 0.000 0.984 72 D CA 0.978 55.014 54.000 0.061 0.000 0.834 72 D CB -0.092 40.749 40.800 0.070 0.000 0.955 72 D HN 0.214 nan 8.370 nan 0.000 0.465 73 K N 0.248 120.649 120.400 0.002 0.000 2.211 73 K HA 0.031 4.233 4.320 -0.197 0.000 0.203 73 K C 2.391 178.891 176.600 -0.168 0.000 1.050 73 K CA 0.147 56.403 56.287 -0.052 0.000 0.945 73 K CB -0.393 32.105 32.500 -0.004 0.000 0.732 73 K HN 0.300 nan 8.250 nan 0.000 0.451 74 L N -0.621 120.463 121.223 -0.231 0.000 2.209 74 L HA 0.012 4.234 4.340 -0.197 0.000 0.207 74 L C 2.219 179.030 176.870 -0.098 0.000 1.094 74 L CA 0.573 55.245 54.840 -0.281 0.000 0.790 74 L CB -0.326 41.476 42.059 -0.429 0.000 0.932 74 L HN 0.257 nan 8.230 nan 0.000 0.447 75 c N -0.004 118.584 118.600 -0.019 0.000 2.485 75 c HA -0.059 4.393 4.570 -0.197 0.000 0.283 75 c C 2.497 176.583 174.090 -0.007 0.000 1.478 75 c CA 1.248 57.594 56.329 0.028 0.000 1.741 75 c CB -1.556 40.988 42.510 0.057 0.000 1.675 75 c HN 0.613 nan 8.230 nan 0.000 0.573 76 T N -2.619 111.914 114.554 -0.034 0.000 3.086 76 T HA 0.171 4.403 4.350 -0.197 0.000 0.250 76 T C 0.760 175.433 174.700 -0.045 0.000 1.074 76 T CA 0.951 63.030 62.100 -0.035 0.000 0.988 76 T CB -0.124 68.721 68.868 -0.038 0.000 0.988 76 T HN 0.482 nan 8.240 nan 0.000 0.530 77 V N -3.499 116.384 119.914 -0.051 0.000 3.544 77 V HA 0.800 4.802 4.120 -0.197 0.000 0.298 77 V C 0.584 176.654 176.094 -0.040 0.000 1.580 77 V CA -0.566 61.700 62.300 -0.057 0.000 1.122 77 V CB -0.604 31.163 31.823 -0.093 0.000 0.951 77 V HN 0.524 nan 8.190 nan 0.000 0.448 89 D N 0.943 121.261 120.400 -0.137 0.000 2.160 89 D HA -0.250 4.272 4.640 -0.197 0.000 0.189 89 D C 1.930 178.121 176.300 -0.182 0.000 1.003 89 D CA 2.059 55.979 54.000 -0.133 0.000 0.846 89 D CB -0.994 39.730 40.800 -0.125 0.000 0.949 89 D HN 0.499 nan 8.370 nan 0.000 0.446 90 c N 0.839 119.261 118.600 -0.297 0.000 2.336 90 c HA -0.240 4.212 4.570 -0.197 0.000 0.275 90 c C 3.165 177.049 174.090 -0.345 0.000 1.175 90 c CA 0.811 56.874 56.329 -0.443 0.000 1.771 90 c CB -1.193 40.828 42.510 -0.815 0.000 2.030 90 c HN 0.488 nan 8.230 nan 0.000 0.442 91 c N 0.957 119.405 118.600 -0.254 0.000 2.409 91 c HA -0.013 4.439 4.570 -0.197 0.000 0.284 91 c C 2.637 176.681 174.090 -0.077 0.000 1.354 91 c CA 0.929 57.195 56.329 -0.105 0.000 1.787 91 c CB -1.780 40.712 42.510 -0.029 0.000 1.900 91 c HN 0.724 nan 8.230 nan 0.000 0.520 92 A N -0.306 122.458 122.820 -0.094 0.000 2.265 92 A HA 0.104 4.306 4.320 -0.197 0.000 0.213 92 A C 0.790 178.338 177.584 -0.060 0.000 1.255 92 A CA 0.725 52.724 52.037 -0.063 0.000 0.862 92 A CB -0.213 18.750 19.000 -0.062 0.000 0.852 92 A HN 0.684 nan 8.150 nan 0.000 0.484 93 K N -1.827 118.529 120.400 -0.074 0.000 2.331 93 K HA 0.659 4.861 4.320 -0.197 0.000 0.238 93 K C 0.158 176.739 176.600 -0.032 0.000 1.058 93 K CA -0.207 56.044 56.287 -0.060 0.000 0.871 93 K CB 0.954 33.399 32.500 -0.092 0.000 1.292 93 K HN 0.253 nan 8.250 nan 0.000 0.470 94 Q N 0.710 120.498 119.800 -0.019 0.000 2.207 94 Q HA 0.324 4.546 4.340 -0.197 0.000 0.237 94 Q C -0.461 175.546 176.000 0.011 0.000 0.998 94 Q CA -0.563 55.243 55.803 0.005 0.000 0.951 94 Q CB 0.396 29.140 28.738 0.010 0.000 1.213 94 Q HN 0.504 nan 8.270 nan 0.000 0.499 95 E N 0.164 120.386 120.200 0.035 0.000 2.248 95 E HA 0.356 4.588 4.350 -0.197 0.000 0.272 95 E C -1.634 174.993 176.600 0.045 0.000 1.008 95 E CA -1.754 54.675 56.400 0.047 0.000 0.856 95 E CB 1.375 31.128 29.700 0.087 0.000 1.120 95 E HN 0.579 nan 8.360 nan 0.000 0.397 96 P HA 0.035 nan 4.420 nan 0.000 0.241 96 P C 1.016 178.321 177.300 0.009 0.000 1.191 96 P CA 0.948 64.073 63.100 0.041 0.000 0.771 96 P CB 0.327 32.068 31.700 0.068 0.000 0.929 97 E N 0.950 121.152 120.200 0.004 0.000 2.108 97 E HA -0.365 3.867 4.350 -0.197 0.000 0.203 97 E C 2.317 178.881 176.600 -0.060 0.000 1.022 97 E CA 2.634 59.023 56.400 -0.019 0.000 0.823 97 E CB -1.541 28.146 29.700 -0.021 0.000 0.744 97 E HN 0.380 nan 8.360 nan 0.000 0.456 98 R N 1.116 121.575 120.500 -0.068 0.000 2.082 98 R HA -0.132 4.090 4.340 -0.197 0.000 0.234 98 R C 2.299 178.503 176.300 -0.159 0.000 1.136 98 R CA 2.094 58.108 56.100 -0.143 0.000 0.935 98 R CB -1.771 28.494 30.300 -0.059 0.000 0.842 98 R HN 0.754 nan 8.270 nan 0.000 0.430 99 N N -0.080 118.593 118.700 -0.045 0.000 2.061 99 N HA -0.210 4.412 4.740 -0.197 0.000 0.193 99 N C 1.507 176.984 175.510 -0.056 0.000 1.030 99 N CA 1.704 54.722 53.050 -0.054 0.000 0.856 99 N CB -0.042 38.266 38.487 -0.299 0.000 1.023 99 N HN 0.547 nan 8.380 nan 0.000 0.424 100 E N 0.807 120.984 120.200 -0.039 0.000 2.118 100 E HA -0.172 4.060 4.350 -0.197 0.000 0.195 100 E C 2.157 178.767 176.600 0.017 0.000 0.992 100 E CA 0.410 56.821 56.400 0.018 0.000 0.804 100 E CB -1.063 28.663 29.700 0.043 0.000 0.741 100 E HN 0.461 nan 8.360 nan 0.000 0.458 101 c N 0.334 118.893 118.600 -0.067 0.000 2.393 101 c HA -0.205 4.247 4.570 -0.197 0.000 0.276 101 c C 2.578 176.679 174.090 0.020 0.000 1.215 101 c CA 0.783 57.064 56.329 -0.081 0.000 1.743 101 c CB -1.377 40.931 42.510 -0.337 0.000 2.044 101 c HN 0.315 nan 8.230 nan 0.000 0.464 102 F N 0.902 120.827 119.950 -0.042 0.000 2.126 102 F HA -0.093 4.315 4.527 -0.199 0.000 0.299 102 F C 2.240 178.125 175.800 0.142 0.000 1.096 102 F CA 1.552 59.520 58.000 -0.054 0.000 1.255 102 F CB -0.937 37.762 39.000 -0.502 0.000 0.997 102 F HN 0.204 nan 8.300 nan 0.000 0.479 103 L N -0.655 120.751 121.223 0.304 0.000 2.046 103 L HA -0.262 3.960 4.340 -0.197 0.000 0.208 103 L C 2.436 179.415 176.870 0.181 0.000 1.077 103 L CA 1.451 56.434 54.840 0.238 0.000 0.747 103 L CB -0.665 41.467 42.059 0.122 0.000 0.896 103 L HN 0.202 nan 8.230 nan 0.000 0.432 104 Q N -1.092 118.790 119.800 0.138 0.000 2.364 104 Q HA -0.169 4.053 4.340 -0.197 0.000 0.207 104 Q C 1.214 177.169 176.000 -0.075 0.000 0.970 104 Q CA 0.920 56.737 55.803 0.024 0.000 0.888 104 Q CB 0.129 28.835 28.738 -0.052 0.000 0.951 104 Q HN 0.595 nan 8.270 nan 0.000 0.469 105 H N -0.543 118.574 119.070 0.078 0.000 2.529 105 H HA 0.177 4.615 4.556 -0.196 0.000 0.277 105 H C -0.376 175.013 175.328 0.101 0.000 1.004 105 H CA -0.027 56.066 56.048 0.075 0.000 1.167 105 H CB 0.329 30.126 29.762 0.058 0.000 1.445 105 H HN -0.069 nan 8.280 nan 0.000 0.554 106 K N 1.231 121.742 120.400 0.185 0.000 2.382 106 K HA 0.034 4.236 4.320 -0.197 0.000 0.275 106 K C -0.418 176.251 176.600 0.115 0.000 1.009 106 K CA -0.006 56.358 56.287 0.128 0.000 0.970 106 K CB 0.567 33.090 32.500 0.038 0.000 0.934 106 K HN 0.102 nan 8.250 nan 0.000 0.479 107 D N 1.581 122.031 120.400 0.083 0.000 2.381 107 D HA 0.088 4.610 4.640 -0.197 0.000 0.235 107 D C 0.018 176.349 176.300 0.051 0.000 1.068 107 D CA -0.311 53.725 54.000 0.059 0.000 0.832 107 D CB 1.085 41.907 40.800 0.036 0.000 1.101 107 D HN 0.370 nan 8.370 nan 0.000 0.515 108 D N 2.466 122.902 120.400 0.060 0.000 2.317 108 D HA -0.071 4.451 4.640 -0.197 0.000 0.211 108 D C -0.011 176.272 176.300 -0.029 0.000 0.966 108 D CA 0.675 54.699 54.000 0.040 0.000 0.876 108 D CB 0.315 41.128 40.800 0.021 0.000 0.927 108 D HN 0.464 nan 8.370 nan 0.000 0.519 109 N N 0.682 119.363 118.700 -0.030 0.000 2.752 109 N HA 0.126 4.748 4.740 -0.197 0.000 0.260 109 N C -2.787 172.698 175.510 -0.042 0.000 1.562 109 N CA -1.193 51.826 53.050 -0.052 0.000 0.788 109 N CB 1.633 40.093 38.487 -0.045 0.000 1.192 109 N HN -0.131 nan 8.380 nan 0.000 0.503 110 P HA 0.028 nan 4.420 nan 0.000 0.271 110 P C -0.718 176.559 177.300 -0.039 0.000 1.216 110 P CA -0.201 62.877 63.100 -0.036 0.000 0.771 110 P CB 0.795 32.465 31.700 -0.049 0.000 0.864 111 N N 3.855 122.542 118.700 -0.022 0.000 2.605 111 N HA 0.110 4.732 4.740 -0.197 0.000 0.282 111 N C -0.697 174.801 175.510 -0.019 0.000 1.206 111 N CA 0.279 53.317 53.050 -0.020 0.000 1.074 111 N CB -0.944 37.536 38.487 -0.010 0.000 1.434 111 N HN 0.384 nan 8.380 nan 0.000 0.506 112 L N 2.500 123.704 121.223 -0.032 0.000 2.346 112 L HA 0.548 4.770 4.340 -0.197 0.000 0.274 112 L C -1.755 175.099 176.870 -0.027 0.000 1.007 112 L CA -2.052 52.770 54.840 -0.031 0.000 0.818 112 L CB 1.645 43.671 42.059 -0.054 0.000 1.284 112 L HN 0.230 nan 8.230 nan 0.000 0.424 113 P HA -0.001 nan 4.420 nan 0.000 0.264 113 P C -0.118 177.174 177.300 -0.013 0.000 1.183 113 P CA -0.213 62.882 63.100 -0.007 0.000 0.763 113 P CB 0.418 32.121 31.700 0.005 0.000 0.807 114 R N 1.774 122.268 120.500 -0.010 0.000 2.817 114 R HA 0.335 4.557 4.340 -0.197 0.000 0.264 114 R C -0.235 176.064 176.300 -0.002 0.000 1.009 114 R CA 0.406 56.501 56.100 -0.009 0.000 1.133 114 R CB -0.943 29.356 30.300 -0.002 0.000 1.013 114 R HN 0.465 nan 8.270 nan 0.000 0.453 115 L N 4.149 125.372 121.223 -0.000 0.000 2.264 115 L HA 0.730 4.952 4.340 -0.197 0.000 0.287 115 L C 0.309 177.194 176.870 0.026 0.000 1.039 115 L CA -0.494 54.350 54.840 0.008 0.000 0.829 115 L CB 0.991 43.048 42.059 -0.003 0.000 1.211 115 L HN 0.785 nan 8.230 nan 0.000 0.427 116 V N 3.569 123.502 119.914 0.032 0.000 2.427 116 V HA 0.874 4.876 4.120 -0.197 0.000 0.286 116 V C 0.589 176.718 176.094 0.059 0.000 1.034 116 V CA -0.007 62.318 62.300 0.042 0.000 0.893 116 V CB 1.514 33.359 31.823 0.036 0.000 0.982 116 V HN 1.370 nan 8.190 nan 0.000 0.452 117 R N 5.954 126.497 120.500 0.072 0.000 2.229 117 R HA 0.726 4.948 4.340 -0.197 0.000 0.328 117 R C -2.339 174.016 176.300 0.092 0.000 1.009 117 R CA -1.347 54.812 56.100 0.099 0.000 0.864 117 R CB -0.307 30.066 30.300 0.121 0.000 1.085 117 R HN 0.871 nan 8.270 nan 0.000 0.453 118 P HA 0.268 nan 4.420 nan 0.000 0.272 118 P C 0.325 177.677 177.300 0.087 0.000 1.248 118 P CA 0.110 63.263 63.100 0.089 0.000 0.799 118 P CB 0.416 32.176 31.700 0.100 0.000 0.997 119 E N 0.070 120.311 120.200 0.068 0.000 2.415 119 E HA 0.061 4.293 4.350 -0.197 0.000 0.262 119 E C 1.420 178.061 176.600 0.067 0.000 1.038 119 E CA -0.101 56.333 56.400 0.057 0.000 0.921 119 E CB -0.440 29.286 29.700 0.043 0.000 0.950 119 E HN 0.279 nan 8.360 nan 0.000 0.438 120 V N 2.155 122.100 119.914 0.052 0.000 2.277 120 V HA -0.354 3.648 4.120 -0.197 0.000 0.255 120 V C 1.991 178.119 176.094 0.056 0.000 1.074 120 V CA 2.553 64.882 62.300 0.048 0.000 1.058 120 V CB -0.587 31.243 31.823 0.011 0.000 0.656 120 V HN 0.919 nan 8.190 nan 0.000 0.449 121 D N -0.123 120.304 120.400 0.045 0.000 2.103 121 D HA -0.152 4.370 4.640 -0.197 0.000 0.190 121 D C 2.136 178.464 176.300 0.047 0.000 0.997 121 D CA 1.785 55.811 54.000 0.043 0.000 0.833 121 D CB -0.487 40.335 40.800 0.037 0.000 0.961 121 D HN 0.350 nan 8.370 nan 0.000 0.447 122 V N 0.923 120.870 119.914 0.055 0.000 2.392 122 V HA -0.282 3.720 4.120 -0.197 0.000 0.249 122 V C 2.523 178.651 176.094 0.057 0.000 1.059 122 V CA 1.494 63.829 62.300 0.058 0.000 1.051 122 V CB -0.492 31.374 31.823 0.072 0.000 0.658 122 V HN 0.239 nan 8.190 nan 0.000 0.455 123 M N -0.843 118.813 119.600 0.094 0.000 2.067 123 M HA -0.194 4.168 4.480 -0.197 0.000 0.260 123 M C 2.473 178.669 176.300 -0.173 0.000 1.069 123 M CA 1.997 57.355 55.300 0.097 0.000 1.117 123 M CB -0.870 31.945 32.600 0.357 0.000 1.334 123 M HN 0.396 nan 8.290 nan 0.000 0.407 124 c N 0.292 118.866 118.600 -0.045 0.000 2.413 124 c HA -0.144 4.308 4.570 -0.197 0.000 0.277 124 c C 2.940 176.933 174.090 -0.161 0.000 1.265 124 c CA 1.422 57.677 56.329 -0.122 0.000 1.752 124 c CB -1.146 41.354 42.510 -0.017 0.000 1.998 124 c HN 0.580 nan 8.230 nan 0.000 0.489 125 T N 0.866 115.388 114.554 -0.053 0.000 2.737 125 T HA -0.098 4.134 4.350 -0.197 0.000 0.265 125 T C 2.094 176.747 174.700 -0.078 0.000 1.038 125 T CA 1.641 63.736 62.100 -0.008 0.000 1.144 125 T CB -0.363 68.516 68.868 0.018 0.000 0.866 125 T HN 0.642 nan 8.240 nan 0.000 0.434 126 A N 0.703 123.441 122.820 -0.136 0.000 1.969 126 A HA 0.019 4.221 4.320 -0.197 0.000 0.218 126 A C 1.969 179.346 177.584 -0.346 0.000 1.169 126 A CA 1.119 53.078 52.037 -0.130 0.000 0.635 126 A CB -0.766 18.251 19.000 0.029 0.000 0.810 126 A HN 0.491 nan 8.150 nan 0.000 0.445 127 F N 0.249 119.614 119.950 -0.975 0.000 2.098 127 F HA -0.095 4.315 4.527 -0.195 0.000 0.294 127 F C 2.400 177.937 175.800 -0.438 0.000 1.107 127 F CA 1.874 59.198 58.000 -1.127 0.000 1.234 127 F CB -0.543 37.567 39.000 -1.484 0.000 1.002 127 F HN 0.328 nan 8.300 nan 0.000 0.472 128 H N -0.089 118.690 119.070 -0.486 0.000 2.321 128 H HA -0.142 4.297 4.556 -0.196 0.000 0.300 128 H C 1.894 177.036 175.328 -0.311 0.000 1.087 128 H CA 1.785 57.569 56.048 -0.440 0.000 1.319 128 H CB -0.887 28.754 29.762 -0.201 0.000 1.379 128 H HN 0.364 nan 8.280 nan 0.000 0.501 129 D N 0.385 120.742 120.400 -0.071 0.000 2.137 129 D HA -0.154 4.368 4.640 -0.197 0.000 0.193 129 D C 0.679 176.934 176.300 -0.075 0.000 0.993 129 D CA 1.132 55.098 54.000 -0.057 0.000 0.846 129 D CB -0.010 40.774 40.800 -0.027 0.000 0.990 129 D HN 0.089 nan 8.370 nan 0.000 0.448 130 N N -0.194 118.466 118.700 -0.067 0.000 2.569 130 N HA 0.060 4.682 4.740 -0.197 0.000 0.254 130 N C -0.136 175.359 175.510 -0.026 0.000 1.004 130 N CA -0.146 52.888 53.050 -0.027 0.000 0.904 130 N CB 1.380 39.892 38.487 0.040 0.000 1.165 130 N HN 0.263 nan 8.380 nan 0.000 0.513 131 E N 2.445 122.588 120.200 -0.096 0.000 2.046 131 E HA -0.110 4.122 4.350 -0.197 0.000 0.190 131 E C 0.492 177.172 176.600 0.134 0.000 0.982 131 E CA 0.962 57.316 56.400 -0.076 0.000 0.800 131 E CB 0.337 29.900 29.700 -0.228 0.000 0.756 131 E HN 0.506 nan 8.360 nan 0.000 0.449 132 E N 0.269 120.528 120.200 0.099 0.000 2.118 132 E HA -0.171 4.061 4.350 -0.197 0.000 0.195 132 E C 2.155 178.861 176.600 0.178 0.000 0.992 132 E CA 1.502 57.981 56.400 0.133 0.000 0.804 132 E CB -0.701 29.059 29.700 0.101 0.000 0.741 132 E HN 0.272 nan 8.360 nan 0.000 0.458 133 T N 1.305 115.971 114.554 0.186 0.000 2.701 133 T HA -0.109 4.123 4.350 -0.197 0.000 0.263 133 T C 1.564 176.386 174.700 0.203 0.000 1.040 133 T CA 0.999 63.237 62.100 0.229 0.000 1.147 133 T CB -0.520 68.477 68.868 0.215 0.000 0.865 133 T HN 0.110 nan 8.240 nan 0.000 0.426 134 F N 1.537 121.522 119.950 0.059 0.000 2.192 134 F HA -0.085 4.326 4.527 -0.194 0.000 0.301 134 F C 1.817 177.658 175.800 0.069 0.000 1.079 134 F CA 1.134 59.155 58.000 0.034 0.000 1.303 134 F CB -0.336 38.699 39.000 0.057 0.000 1.024 134 F HN 0.094 nan 8.300 nan 0.000 0.494 135 L N -0.776 120.561 121.223 0.189 0.000 2.202 135 L HA -0.093 4.129 4.340 -0.197 0.000 0.205 135 L C 2.317 179.250 176.870 0.105 0.000 1.083 135 L CA 0.792 55.713 54.840 0.136 0.000 0.790 135 L CB -0.586 41.599 42.059 0.210 0.000 0.942 135 L HN -0.063 nan 8.230 nan 0.000 0.452 136 K N 0.463 120.943 120.400 0.133 0.000 2.147 136 K HA -0.173 4.029 4.320 -0.197 0.000 0.205 136 K C 2.336 178.986 176.600 0.084 0.000 1.049 136 K CA 1.715 58.110 56.287 0.180 0.000 0.936 136 K CB -0.050 32.647 32.500 0.329 0.000 0.722 136 K HN 0.230 nan 8.250 nan 0.000 0.446 137 K N -0.314 119.973 120.400 -0.189 0.000 2.167 137 K HA -0.127 4.075 4.320 -0.197 0.000 0.203 137 K C 1.980 178.465 176.600 -0.192 0.000 1.052 137 K CA 0.997 56.995 56.287 -0.482 0.000 0.956 137 K CB -1.234 30.874 32.500 -0.653 0.000 0.735 137 K HN 0.397 nan 8.250 nan 0.000 0.451 138 Y N 1.789 121.889 120.300 -0.334 0.000 2.089 138 Y HA 0.067 4.501 4.550 -0.194 0.000 0.282 138 Y C 2.046 177.760 175.900 -0.310 0.000 1.139 138 Y CA 1.630 59.483 58.100 -0.413 0.000 1.123 138 Y CB -0.414 37.670 38.460 -0.626 0.000 0.980 138 Y HN 0.042 nan 8.280 nan 0.000 0.493 139 L N -0.666 120.424 121.223 -0.222 0.000 2.081 139 L HA -0.280 3.942 4.340 -0.197 0.000 0.212 139 L C 2.439 179.177 176.870 -0.220 0.000 1.080 139 L CA 2.040 56.712 54.840 -0.281 0.000 0.754 139 L CB -0.963 41.053 42.059 -0.072 0.000 0.893 139 L HN 0.412 nan 8.230 nan 0.000 0.433 140 Y N 1.105 121.288 120.300 -0.195 0.000 2.133 140 Y HA -0.218 4.218 4.550 -0.191 0.000 0.287 140 Y C 2.558 178.363 175.900 -0.158 0.000 1.134 140 Y CA 1.518 59.552 58.100 -0.111 0.000 1.133 140 Y CB -0.124 38.354 38.460 0.030 0.000 0.987 140 Y HN 0.096 nan 8.280 nan 0.000 0.502 141 E N 0.110 120.106 120.200 -0.340 0.000 2.333 141 E HA -0.133 4.099 4.350 -0.197 0.000 0.198 141 E C 2.020 178.390 176.600 -0.384 0.000 1.007 141 E CA 0.930 57.083 56.400 -0.411 0.000 0.845 141 E CB 0.045 29.610 29.700 -0.225 0.000 0.766 141 E HN 0.549 nan 8.360 nan 0.000 0.507 142 I N -0.043 120.261 120.570 -0.444 0.000 2.810 142 I HA 0.028 4.080 4.170 -0.197 0.000 0.262 142 I C 2.324 178.278 176.117 -0.272 0.000 1.131 142 I CA 0.548 61.616 61.300 -0.386 0.000 1.453 142 I CB -1.406 36.173 38.000 -0.701 0.000 1.161 142 I HN -0.104 nan 8.210 nan 0.000 0.444 143 A N 2.511 125.133 122.820 -0.330 0.000 1.908 143 A HA -0.228 3.974 4.320 -0.197 0.000 0.218 143 A C 2.435 179.902 177.584 -0.194 0.000 1.181 143 A CA 2.054 53.949 52.037 -0.235 0.000 0.627 143 A CB -0.713 18.150 19.000 -0.228 0.000 0.818 143 A HN 0.528 nan 8.150 nan 0.000 0.445 144 R N -0.755 119.574 120.500 -0.285 0.000 2.115 144 R HA -0.050 4.172 4.340 -0.197 0.000 0.230 144 R C 2.046 178.232 176.300 -0.190 0.000 1.111 144 R CA 1.453 57.401 56.100 -0.254 0.000 0.976 144 R CB -0.363 29.691 30.300 -0.410 0.000 0.870 144 R HN 0.464 nan 8.270 nan 0.000 0.445 145 R N -0.113 120.266 120.500 -0.201 0.000 2.100 145 R HA 0.086 4.308 4.340 -0.197 0.000 0.220 145 R C 0.361 176.467 176.300 -0.323 0.000 1.091 145 R CA 0.678 56.630 56.100 -0.246 0.000 0.986 145 R CB 0.131 30.275 30.300 -0.259 0.000 0.888 145 R HN 0.368 nan 8.270 nan 0.000 0.444 146 H N 1.435 120.480 119.070 -0.042 0.000 2.486 146 H HA 0.160 4.587 4.556 -0.216 0.000 0.239 146 H C -1.822 173.534 175.328 0.047 0.000 1.480 146 H CA -1.838 54.247 56.048 0.061 0.000 1.324 146 H CB 1.132 31.006 29.762 0.187 0.000 1.486 146 H HN 0.110 nan 8.280 nan 0.000 0.544 147 P HA -0.152 nan 4.420 nan 0.000 0.236 147 P C 0.228 177.347 177.300 -0.302 0.000 1.172 147 P CA 1.118 64.136 63.100 -0.136 0.000 0.759 147 P CB 0.046 31.642 31.700 -0.172 0.000 0.843 148 Y N -2.843 117.499 120.300 0.069 0.000 2.588 148 Y HA 0.288 4.723 4.550 -0.192 0.000 0.247 148 Y C 0.983 176.950 175.900 0.111 0.000 1.157 148 Y CA -0.973 57.161 58.100 0.057 0.000 1.215 148 Y CB -0.156 38.314 38.460 0.016 0.000 1.245 148 Y HN -0.232 nan 8.280 nan 0.000 0.534 149 F N 0.948 120.971 119.950 0.121 0.000 2.602 149 F HA -0.079 4.383 4.527 -0.108 0.000 0.367 149 F C 0.366 176.266 175.800 0.166 0.000 1.126 149 F CA -0.539 57.518 58.000 0.095 0.000 1.321 149 F CB 0.239 39.234 39.000 -0.009 0.000 1.094 149 F HN 0.041 nan 8.300 nan 0.000 0.594 150 Y N 7.168 127.583 120.300 0.191 0.000 2.783 150 Y HA 0.226 4.665 4.550 -0.185 0.000 0.359 150 Y C 1.054 177.166 175.900 0.353 0.000 1.220 150 Y CA -0.638 57.608 58.100 0.242 0.000 1.649 150 Y CB -0.217 38.349 38.460 0.177 0.000 1.273 150 Y HN 0.757 nan 8.280 nan 0.000 0.506 151 A N 7.769 130.717 122.820 0.213 0.000 1.870 151 A HA -0.279 3.923 4.320 -0.197 0.000 0.219 151 A C -0.202 177.341 177.584 -0.067 0.000 1.286 151 A CA 2.255 54.304 52.037 0.021 0.000 0.682 151 A CB -1.952 17.012 19.000 -0.061 0.000 0.844 151 A HN 0.626 nan 8.150 nan 0.000 0.460 152 P HA -0.215 nan 4.420 nan 0.000 0.218 152 P C 1.339 178.600 177.300 -0.064 0.000 1.165 152 P CA 1.770 64.732 63.100 -0.231 0.000 0.922 152 P CB -0.159 31.269 31.700 -0.453 0.000 0.794 153 E N -1.134 119.017 120.200 -0.082 0.000 2.219 153 E HA -0.183 4.049 4.350 -0.197 0.000 0.198 153 E C 1.859 178.828 176.600 0.615 0.000 0.998 153 E CA 0.803 57.395 56.400 0.321 0.000 0.818 153 E CB -0.855 29.175 29.700 0.550 0.000 0.741 153 E HN 0.166 nan 8.360 nan 0.000 0.477 154 L N 0.531 122.012 121.223 0.431 0.000 2.093 154 L HA -0.100 4.122 4.340 -0.197 0.000 0.208 154 L C 2.159 179.141 176.870 0.187 0.000 1.085 154 L CA 1.293 56.245 54.840 0.187 0.000 0.755 154 L CB -0.547 41.392 42.059 -0.200 0.000 0.904 154 L HN 0.075 nan 8.230 nan 0.000 0.435 155 L N -1.627 119.678 121.223 0.137 0.000 2.046 155 L HA -0.235 3.987 4.340 -0.197 0.000 0.208 155 L C 2.492 179.444 176.870 0.138 0.000 1.077 155 L CA 1.565 56.466 54.840 0.103 0.000 0.747 155 L CB -0.751 41.343 42.059 0.059 0.000 0.896 155 L HN 0.332 nan 8.230 nan 0.000 0.432 156 F N 0.579 120.550 119.950 0.035 0.000 2.095 156 F HA -0.269 4.139 4.527 -0.199 0.000 0.298 156 F C 2.168 177.916 175.800 -0.087 0.000 1.104 156 F CA 1.513 59.472 58.000 -0.069 0.000 1.232 156 F CB -0.440 38.451 39.000 -0.181 0.000 0.987 156 F HN -0.138 nan 8.300 nan 0.000 0.475 157 F N 0.669 120.663 119.950 0.074 0.000 2.161 157 F HA -0.172 4.239 4.527 -0.193 0.000 0.300 157 F C 2.617 178.406 175.800 -0.018 0.000 1.089 157 F CA 1.317 59.319 58.000 0.002 0.000 1.282 157 F CB -1.256 37.847 39.000 0.172 0.000 1.010 157 F HN 0.130 nan 8.300 nan 0.000 0.485 158 A N 0.208 123.167 122.820 0.232 0.000 1.859 158 A HA -0.271 3.931 4.320 -0.197 0.000 0.217 158 A C 2.264 179.876 177.584 0.047 0.000 1.198 158 A CA 2.069 54.213 52.037 0.179 0.000 0.629 158 A CB -0.809 18.284 19.000 0.156 0.000 0.830 158 A HN 0.304 nan 8.150 nan 0.000 0.446 159 K N -1.151 119.215 120.400 -0.057 0.000 2.020 159 K HA -0.201 4.001 4.320 -0.197 0.000 0.212 159 K C 2.430 178.938 176.600 -0.152 0.000 1.050 159 K CA 1.796 58.022 56.287 -0.101 0.000 0.929 159 K CB -0.235 32.165 32.500 -0.166 0.000 0.714 159 K HN 0.415 nan 8.250 nan 0.000 0.443 160 R N -0.315 119.991 120.500 -0.324 0.000 2.105 160 R HA -0.208 4.014 4.340 -0.197 0.000 0.239 160 R C 2.301 178.542 176.300 -0.098 0.000 1.135 160 R CA 1.620 57.547 56.100 -0.289 0.000 0.967 160 R CB -0.314 29.701 30.300 -0.475 0.000 0.861 160 R HN 0.263 nan 8.270 nan 0.000 0.442 161 Y N 1.260 121.446 120.300 -0.190 0.000 2.114 161 Y HA -0.258 4.176 4.550 -0.194 0.000 0.284 161 Y C 2.272 178.109 175.900 -0.105 0.000 1.143 161 Y CA 1.820 59.791 58.100 -0.216 0.000 1.135 161 Y CB -0.151 37.969 38.460 -0.567 0.000 0.980 161 Y HN -0.085 nan 8.280 nan 0.000 0.499 162 K N -0.149 120.265 120.400 0.024 0.000 2.020 162 K HA -0.247 3.955 4.320 -0.197 0.000 0.212 162 K C 2.232 178.808 176.600 -0.039 0.000 1.050 162 K CA 1.482 57.780 56.287 0.017 0.000 0.929 162 K CB -0.517 32.051 32.500 0.115 0.000 0.714 162 K HN 0.401 nan 8.250 nan 0.000 0.443 163 A N 0.813 123.605 122.820 -0.048 0.000 2.024 163 A HA -0.146 4.056 4.320 -0.197 0.000 0.220 163 A C 2.187 179.698 177.584 -0.121 0.000 1.164 163 A CA 1.881 53.885 52.037 -0.055 0.000 0.643 163 A CB -0.590 18.370 19.000 -0.067 0.000 0.806 163 A HN 0.497 nan 8.150 nan 0.000 0.451 164 A N -0.654 122.039 122.820 -0.212 0.000 1.845 164 A HA 0.015 4.217 4.320 -0.197 0.000 0.215 164 A C 1.936 179.250 177.584 -0.451 0.000 1.195 164 A CA 1.561 53.387 52.037 -0.352 0.000 0.616 164 A CB -0.834 17.863 19.000 -0.505 0.000 0.832 164 A HN 0.454 nan 8.150 nan 0.000 0.443 165 F N 0.568 120.184 119.950 -0.557 0.000 2.075 165 F HA -0.147 4.261 4.527 -0.199 0.000 0.297 165 F C 2.832 178.396 175.800 -0.393 0.000 1.113 165 F CA 1.933 59.513 58.000 -0.700 0.000 1.218 165 F CB -1.076 37.020 39.000 -1.506 0.000 0.984 165 F HN 0.129 nan 8.300 nan 0.000 0.472 166 T N -0.837 113.701 114.554 -0.026 0.000 2.778 166 T HA -0.267 3.965 4.350 -0.197 0.000 0.269 166 T C 1.848 176.620 174.700 0.120 0.000 1.050 166 T CA 1.828 64.073 62.100 0.242 0.000 1.137 166 T CB -0.267 68.740 68.868 0.232 0.000 0.860 166 T HN 0.392 nan 8.240 nan 0.000 0.468 167 E N -0.815 119.389 120.200 0.007 0.000 2.127 167 E HA -0.027 4.205 4.350 -0.197 0.000 0.191 167 E C 2.139 178.721 176.600 -0.030 0.000 0.964 167 E CA 0.401 56.796 56.400 -0.008 0.000 0.832 167 E CB 0.018 29.694 29.700 -0.040 0.000 0.790 167 E HN 0.412 nan 8.360 nan 0.000 0.465 168 c N 0.509 119.049 118.600 -0.100 0.000 2.450 168 c HA -0.018 4.434 4.570 -0.197 0.000 0.279 168 c C 2.522 176.578 174.090 -0.057 0.000 1.335 168 c CA 0.106 56.367 56.329 -0.113 0.000 1.749 168 c CB -0.767 41.607 42.510 -0.225 0.000 1.963 168 c HN 0.603 nan 8.230 nan 0.000 0.501 169 c N 1.245 119.835 118.600 -0.018 0.000 2.511 169 c HA -0.039 4.413 4.570 -0.197 0.000 0.277 169 c C 1.641 175.822 174.090 0.152 0.000 1.451 169 c CA 0.669 57.035 56.329 0.063 0.000 1.735 169 c CB -2.215 40.315 42.510 0.033 0.000 1.704 169 c HN 0.782 nan 8.230 nan 0.000 0.571 170 Q N -0.750 119.113 119.800 0.104 0.000 2.333 170 Q HA 0.652 4.874 4.340 -0.197 0.000 0.365 170 Q C -0.379 175.645 176.000 0.039 0.000 0.882 170 Q CA -0.147 55.709 55.803 0.088 0.000 1.124 170 Q CB 0.467 29.263 28.738 0.096 0.000 1.345 170 Q HN 0.362 nan 8.270 nan 0.000 0.409 171 A N 0.288 123.122 122.820 0.023 0.000 2.464 171 A HA 0.896 5.098 4.320 -0.197 0.000 0.268 171 A C 0.710 178.296 177.584 0.004 0.000 1.244 171 A CA -0.118 51.923 52.037 0.006 0.000 0.871 171 A CB 0.435 19.429 19.000 -0.011 0.000 1.400 171 A HN 0.373 nan 8.150 nan 0.000 0.455 172 A N -0.973 121.846 122.820 -0.002 0.000 1.854 172 A HA 0.206 4.408 4.320 -0.197 0.000 0.214 172 A C 0.531 178.113 177.584 -0.003 0.000 1.192 172 A CA 2.175 54.211 52.037 -0.002 0.000 0.611 172 A CB -0.271 18.727 19.000 -0.004 0.000 0.832 172 A HN 0.691 nan 8.150 nan 0.000 0.442 173 D N -1.384 119.011 120.400 -0.010 0.000 2.389 173 D HA 0.335 4.857 4.640 -0.197 0.000 0.256 173 D C 0.687 176.972 176.300 -0.024 0.000 1.239 173 D CA -0.372 53.620 54.000 -0.013 0.000 0.925 173 D CB 0.811 41.604 40.800 -0.012 0.000 1.145 173 D HN 0.222 nan 8.370 nan 0.000 0.542 174 K N 1.756 122.141 120.400 -0.025 0.000 2.026 174 K HA -0.101 4.101 4.320 -0.197 0.000 0.208 174 K C 1.926 178.489 176.600 -0.062 0.000 1.048 174 K CA 1.163 57.421 56.287 -0.048 0.000 0.929 174 K CB -0.109 32.370 32.500 -0.036 0.000 0.713 174 K HN 0.358 nan 8.250 nan 0.000 0.439 175 A N 2.066 124.862 122.820 -0.039 0.000 1.927 175 A HA -0.237 3.965 4.320 -0.197 0.000 0.220 175 A C 2.472 180.028 177.584 -0.046 0.000 1.185 175 A CA 2.305 54.320 52.037 -0.038 0.000 0.639 175 A CB -0.846 18.143 19.000 -0.018 0.000 0.820 175 A HN 0.405 nan 8.150 nan 0.000 0.451 176 A N -1.866 120.931 122.820 -0.039 0.000 2.014 176 A HA -0.077 4.125 4.320 -0.197 0.000 0.218 176 A C 2.347 179.900 177.584 -0.052 0.000 1.163 176 A CA 1.582 53.597 52.037 -0.037 0.000 0.652 176 A CB -1.076 17.909 19.000 -0.026 0.000 0.808 176 A HN 0.840 nan 8.150 nan 0.000 0.449 177 c N -1.649 116.910 118.600 -0.068 0.000 2.519 177 c HA 0.221 4.673 4.570 -0.197 0.000 0.281 177 c C 2.352 176.361 174.090 -0.136 0.000 1.331 177 c CA 0.999 57.275 56.329 -0.088 0.000 1.725 177 c CB -1.087 41.372 42.510 -0.085 0.000 2.079 177 c HN 0.535 nan 8.230 nan 0.000 0.496 178 L N 0.884 122.002 121.223 -0.176 0.000 2.022 178 L HA 0.173 4.395 4.340 -0.197 0.000 0.204 178 L C 2.420 179.164 176.870 -0.210 0.000 1.076 178 L CA 1.750 56.424 54.840 -0.277 0.000 0.749 178 L CB -0.938 40.890 42.059 -0.385 0.000 0.903 178 L HN 0.354 nan 8.230 nan 0.000 0.439 179 L N -0.297 120.842 121.223 -0.140 0.000 2.082 179 L HA -0.320 3.902 4.340 -0.197 0.000 0.223 179 L C -0.237 176.596 176.870 -0.061 0.000 1.086 179 L CA 2.165 56.956 54.840 -0.081 0.000 0.793 179 L CB -2.276 39.756 42.059 -0.044 0.000 0.896 179 L HN 0.303 nan 8.230 nan 0.000 0.441 180 P HA -0.167 nan 4.420 nan 0.000 0.212 180 P C 1.319 178.597 177.300 -0.036 0.000 1.180 180 P CA 1.369 64.448 63.100 -0.035 0.000 0.906 180 P CB -0.039 31.640 31.700 -0.035 0.000 0.782 181 K N -0.619 119.739 120.400 -0.070 0.000 2.218 181 K HA -0.126 4.076 4.320 -0.197 0.000 0.205 181 K C 2.004 178.574 176.600 -0.050 0.000 1.046 181 K CA 1.066 57.311 56.287 -0.070 0.000 0.933 181 K CB -0.679 31.741 32.500 -0.132 0.000 0.728 181 K HN 0.204 nan 8.250 nan 0.000 0.454 182 L N 0.644 121.823 121.223 -0.074 0.000 2.179 182 L HA -0.135 4.087 4.340 -0.197 0.000 0.208 182 L C 1.644 178.552 176.870 0.063 0.000 1.096 182 L CA 0.791 55.625 54.840 -0.010 0.000 0.779 182 L CB -0.181 41.849 42.059 -0.049 0.000 0.922 182 L HN 0.145 nan 8.230 nan 0.000 0.443 183 D N -0.144 120.279 120.400 0.039 0.000 2.120 183 D HA -0.195 4.327 4.640 -0.197 0.000 0.202 183 D C 1.897 178.242 176.300 0.074 0.000 0.972 183 D CA 0.902 54.935 54.000 0.055 0.000 0.837 183 D CB 0.013 40.835 40.800 0.037 0.000 0.989 183 D HN 0.275 nan 8.370 nan 0.000 0.469 184 E N 0.396 120.637 120.200 0.067 0.000 2.171 184 E HA -0.167 4.065 4.350 -0.197 0.000 0.197 184 E C 2.181 178.866 176.600 0.141 0.000 0.997 184 E CA 0.642 57.096 56.400 0.090 0.000 0.810 184 E CB -0.019 29.725 29.700 0.073 0.000 0.738 184 E HN 0.214 nan 8.360 nan 0.000 0.467 185 L N 0.019 121.337 121.223 0.157 0.000 2.095 185 L HA -0.115 4.107 4.340 -0.197 0.000 0.204 185 L C 2.689 179.669 176.870 0.183 0.000 1.080 185 L CA 0.538 55.522 54.840 0.240 0.000 0.759 185 L CB -0.296 41.930 42.059 0.279 0.000 0.914 185 L HN 0.043 nan 8.230 nan 0.000 0.439 186 R N 0.359 120.941 120.500 0.137 0.000 2.083 186 R HA -0.162 4.060 4.340 -0.197 0.000 0.237 186 R C 1.766 178.105 176.300 0.064 0.000 1.137 186 R CA 1.521 57.673 56.100 0.087 0.000 0.951 186 R CB -1.011 29.340 30.300 0.086 0.000 0.851 186 R HN 0.425 nan 8.270 nan 0.000 0.434 187 D N 0.564 121.015 120.400 0.085 0.000 2.081 187 D HA -0.181 4.341 4.640 -0.197 0.000 0.194 187 D C 1.789 178.147 176.300 0.096 0.000 0.986 187 D CA 1.125 55.175 54.000 0.084 0.000 0.837 187 D CB -0.386 40.465 40.800 0.086 0.000 0.985 187 D HN 0.364 nan 8.370 nan 0.000 0.448 188 E N 0.449 120.739 120.200 0.151 0.000 2.171 188 E HA -0.163 4.069 4.350 -0.197 0.000 0.197 188 E C 2.007 178.712 176.600 0.175 0.000 0.997 188 E CA 1.430 57.962 56.400 0.221 0.000 0.810 188 E CB -0.280 29.625 29.700 0.342 0.000 0.738 188 E HN 0.272 nan 8.360 nan 0.000 0.467 189 G N 0.476 109.288 108.800 0.019 0.000 2.448 189 G HA2 -0.187 3.655 3.960 -0.197 0.000 0.218 189 G HA3 -0.187 3.655 3.960 -0.197 0.000 0.218 189 G C 1.463 176.262 174.900 -0.168 0.000 1.135 189 G CA 0.466 45.393 45.100 -0.288 0.000 0.784 189 G HN 0.145 nan 8.290 nan 0.000 0.543 190 K N 0.446 120.798 120.400 -0.081 0.000 2.062 190 K HA 0.140 4.342 4.320 -0.197 0.000 0.205 190 K C 2.974 179.538 176.600 -0.060 0.000 1.051 190 K CA 0.804 57.050 56.287 -0.068 0.000 0.941 190 K CB -0.167 32.346 32.500 0.020 0.000 0.719 190 K HN 0.223 nan 8.250 nan 0.000 0.440 191 A N 1.225 124.049 122.820 0.006 0.000 1.883 191 A HA -0.229 3.973 4.320 -0.197 0.000 0.217 191 A C 2.247 179.806 177.584 -0.041 0.000 1.186 191 A CA 2.258 54.317 52.037 0.037 0.000 0.624 191 A CB -0.855 18.218 19.000 0.121 0.000 0.822 191 A HN 0.308 nan 8.150 nan 0.000 0.444 192 S N -0.688 114.975 115.700 -0.060 0.000 2.359 192 S HA -0.189 4.163 4.470 -0.197 0.000 0.224 192 S C 2.355 176.712 174.600 -0.404 0.000 1.035 192 S CA 2.156 60.264 58.200 -0.154 0.000 1.018 192 S CB -0.549 62.593 63.200 -0.097 0.000 0.876 192 S HN 0.665 nan 8.310 nan 0.000 0.448 193 S N 0.668 116.030 115.700 -0.565 0.000 2.370 193 S HA -0.052 4.300 4.470 -0.197 0.000 0.226 193 S C 2.075 176.528 174.600 -0.245 0.000 1.033 193 S CA 1.530 59.407 58.200 -0.539 0.000 1.011 193 S CB -0.920 62.059 63.200 -0.368 0.000 0.852 193 S HN 0.723 nan 8.310 nan 0.000 0.457 194 A N 1.940 124.653 122.820 -0.178 0.000 1.849 194 A HA -0.184 4.018 4.320 -0.197 0.000 0.217 194 A C 2.123 179.587 177.584 -0.201 0.000 1.202 194 A CA 1.956 53.895 52.037 -0.164 0.000 0.629 194 A CB -0.854 18.042 19.000 -0.173 0.000 0.834 194 A HN 0.655 nan 8.150 nan 0.000 0.447 195 K N -1.201 119.077 120.400 -0.202 0.000 2.044 195 K HA -0.271 3.931 4.320 -0.197 0.000 0.210 195 K C 2.336 178.776 176.600 -0.268 0.000 1.049 195 K CA 1.837 57.989 56.287 -0.225 0.000 0.927 195 K CB -0.231 32.169 32.500 -0.165 0.000 0.713 195 K HN 0.487 nan 8.250 nan 0.000 0.443 196 Q N 1.274 120.922 119.800 -0.254 0.000 2.226 196 Q HA -0.158 4.064 4.340 -0.197 0.000 0.204 196 Q C 1.927 177.813 176.000 -0.189 0.000 0.975 196 Q CA 1.472 57.126 55.803 -0.249 0.000 0.866 196 Q CB -0.096 28.522 28.738 -0.201 0.000 0.915 196 Q HN 0.086 nan 8.270 nan 0.000 0.440 197 R N -0.504 119.888 120.500 -0.181 0.000 2.075 197 R HA -0.064 4.158 4.340 -0.197 0.000 0.232 197 R C 1.884 178.047 176.300 -0.229 0.000 1.126 197 R CA 1.102 57.081 56.100 -0.202 0.000 0.963 197 R CB -0.895 29.294 30.300 -0.185 0.000 0.858 197 R HN 0.393 nan 8.270 nan 0.000 0.435 198 L N 1.181 122.266 121.223 -0.229 0.000 1.989 198 L HA -0.154 4.069 4.340 -0.197 0.000 0.211 198 L C 1.639 178.373 176.870 -0.227 0.000 1.071 198 L CA 1.987 56.688 54.840 -0.231 0.000 0.749 198 L CB -0.781 41.108 42.059 -0.283 0.000 0.890 198 L HN 0.151 nan 8.230 nan 0.000 0.431 199 K N -1.262 118.968 120.400 -0.284 0.000 2.020 199 K HA -0.230 3.972 4.320 -0.197 0.000 0.212 199 K C 2.112 178.661 176.600 -0.085 0.000 1.050 199 K CA 2.040 58.193 56.287 -0.223 0.000 0.929 199 K CB -0.544 31.747 32.500 -0.347 0.000 0.714 199 K HN 0.466 nan 8.250 nan 0.000 0.443 200 c N 0.184 118.721 118.600 -0.106 0.000 2.440 200 c HA -0.046 4.406 4.570 -0.197 0.000 0.278 200 c C 2.852 176.910 174.090 -0.054 0.000 1.295 200 c CA 0.595 56.897 56.329 -0.046 0.000 1.738 200 c CB -0.905 41.614 42.510 0.014 0.000 1.987 200 c HN 0.549 nan 8.230 nan 0.000 0.492 201 A N 0.847 123.604 122.820 -0.105 0.000 1.902 201 A HA -0.162 4.040 4.320 -0.197 0.000 0.217 201 A C 2.240 179.870 177.584 0.076 0.000 1.181 201 A CA 2.350 54.349 52.037 -0.064 0.000 0.623 201 A CB -0.834 18.120 19.000 -0.077 0.000 0.818 201 A HN 0.565 nan 8.150 nan 0.000 0.443 202 S N 0.165 115.939 115.700 0.123 0.000 2.365 202 S HA -0.193 4.159 4.470 -0.197 0.000 0.221 202 S C 1.875 176.627 174.600 0.254 0.000 1.037 202 S CA 1.727 60.083 58.200 0.259 0.000 1.060 202 S CB -0.673 62.619 63.200 0.154 0.000 0.974 202 S HN 0.490 nan 8.310 nan 0.000 0.427 203 L N 1.218 122.535 121.223 0.157 0.000 1.989 203 L HA -0.228 3.994 4.340 -0.197 0.000 0.211 203 L C 2.888 179.793 176.870 0.059 0.000 1.071 203 L CA 1.546 56.438 54.840 0.086 0.000 0.749 203 L CB -0.591 41.445 42.059 -0.037 0.000 0.890 203 L HN 0.365 nan 8.230 nan 0.000 0.431 204 Q N -0.360 119.460 119.800 0.033 0.000 2.079 204 Q HA -0.193 4.029 4.340 -0.197 0.000 0.200 204 Q C 2.188 178.154 176.000 -0.057 0.000 0.974 204 Q CA 1.468 57.274 55.803 0.005 0.000 0.840 204 Q CB 0.061 28.806 28.738 0.013 0.000 0.898 204 Q HN 0.451 nan 8.270 nan 0.000 0.430 205 K N -0.858 119.462 120.400 -0.134 0.000 2.242 205 K HA 0.049 4.251 4.320 -0.197 0.000 0.200 205 K C 1.170 177.484 176.600 -0.477 0.000 1.050 205 K CA 0.628 56.690 56.287 -0.376 0.000 0.981 205 K CB 0.374 32.508 32.500 -0.610 0.000 0.795 205 K HN 0.068 nan 8.250 nan 0.000 0.477 206 F N 0.349 120.301 119.950 0.004 0.000 2.704 206 F HA 0.294 4.696 4.527 -0.208 0.000 0.304 206 F C 0.930 176.750 175.800 0.032 0.000 1.094 206 F CA 0.065 58.074 58.000 0.015 0.000 1.275 206 F CB 0.802 39.810 39.000 0.012 0.000 1.073 206 F HN 0.053 nan 8.300 nan 0.000 0.586 207 G N 1.379 110.284 108.800 0.176 0.000 2.746 207 G HA2 -0.229 3.613 3.960 -0.197 0.000 0.685 207 G HA3 -0.229 3.613 3.960 -0.197 0.000 0.685 207 G C 0.623 175.621 174.900 0.162 0.000 1.350 207 G CA -0.153 45.026 45.100 0.132 0.000 0.837 207 G HN 0.435 nan 8.290 nan 0.000 0.564 208 E N 0.060 120.337 120.200 0.127 0.000 2.204 208 E HA -0.141 4.091 4.350 -0.197 0.000 0.194 208 E C 2.212 178.934 176.600 0.203 0.000 0.989 208 E CA 1.049 57.547 56.400 0.164 0.000 0.824 208 E CB 0.018 29.780 29.700 0.104 0.000 0.756 208 E HN 0.625 nan 8.360 nan 0.000 0.477 209 R N 0.884 121.478 120.500 0.155 0.000 2.127 209 R HA -0.147 4.075 4.340 -0.197 0.000 0.238 209 R C 2.196 178.585 176.300 0.147 0.000 1.134 209 R CA 1.425 57.611 56.100 0.142 0.000 0.975 209 R CB -0.279 30.089 30.300 0.113 0.000 0.865 209 R HN 0.317 nan 8.270 nan 0.000 0.447 210 A N 0.010 122.925 122.820 0.159 0.000 1.872 210 A HA -0.126 4.076 4.320 -0.197 0.000 0.214 210 A C 1.942 179.617 177.584 0.153 0.000 1.187 210 A CA 0.940 53.046 52.037 0.115 0.000 0.614 210 A CB -0.694 18.363 19.000 0.095 0.000 0.826 210 A HN 0.484 nan 8.150 nan 0.000 0.442 211 F N 0.749 120.758 119.950 0.099 0.000 2.134 211 F HA -0.136 4.262 4.527 -0.215 0.000 0.299 211 F C 2.173 178.105 175.800 0.220 0.000 1.097 211 F CA 2.095 60.179 58.000 0.139 0.000 1.264 211 F CB -0.091 38.966 39.000 0.096 0.000 1.001 211 F HN 0.106 nan 8.300 nan 0.000 0.479 212 K N 0.183 120.777 120.400 0.323 0.000 2.009 212 K HA -0.181 4.021 4.320 -0.197 0.000 0.210 212 K C 2.342 178.999 176.600 0.095 0.000 1.049 212 K CA 1.368 57.786 56.287 0.217 0.000 0.929 212 K CB -0.709 31.909 32.500 0.197 0.000 0.714 212 K HN 0.329 nan 8.250 nan 0.000 0.440 213 A N 0.943 123.822 122.820 0.098 0.000 1.903 213 A HA -0.243 3.959 4.320 -0.197 0.000 0.219 213 A C 1.963 179.546 177.584 -0.002 0.000 1.191 213 A CA 1.888 53.961 52.037 0.059 0.000 0.638 213 A CB -1.140 17.898 19.000 0.062 0.000 0.823 213 A HN 0.666 nan 8.150 nan 0.000 0.451 214 W N 0.548 121.743 121.300 -0.175 0.000 2.335 214 W HA -0.143 4.429 4.660 -0.148 0.000 0.311 214 W C 2.458 178.827 176.519 -0.250 0.000 1.213 214 W CA 2.427 59.623 57.345 -0.247 0.000 1.274 214 W CB -0.425 28.812 29.460 -0.372 0.000 1.148 214 W HN 0.378 nan 8.180 nan 0.000 0.498 215 A N 0.128 122.682 122.820 -0.444 0.000 1.865 215 A HA -0.216 3.986 4.320 -0.197 0.000 0.217 215 A C 2.079 179.416 177.584 -0.412 0.000 1.191 215 A CA 2.761 54.455 52.037 -0.572 0.000 0.623 215 A CB -1.376 17.535 19.000 -0.148 0.000 0.826 215 A HN 0.225 nan 8.150 nan 0.000 0.444 216 V N -0.072 119.729 119.914 -0.188 0.000 2.231 216 V HA -0.320 3.682 4.120 -0.197 0.000 0.248 216 V C 3.090 179.111 176.094 -0.121 0.000 1.054 216 V CA 2.316 64.575 62.300 -0.068 0.000 1.015 216 V CB -1.415 30.445 31.823 0.062 0.000 0.638 216 V HN 0.657 nan 8.190 nan 0.000 0.444 217 A N 0.003 122.703 122.820 -0.199 0.000 1.883 217 A HA -0.289 3.913 4.320 -0.197 0.000 0.217 217 A C 2.298 179.681 177.584 -0.334 0.000 1.186 217 A CA 2.397 54.301 52.037 -0.221 0.000 0.624 217 A CB -0.598 18.272 19.000 -0.216 0.000 0.822 217 A HN 0.466 nan 8.150 nan 0.000 0.444 218 R N 0.007 120.146 120.500 -0.602 0.000 2.080 218 R HA -0.041 4.181 4.340 -0.197 0.000 0.236 218 R C 2.002 178.008 176.300 -0.490 0.000 1.137 218 R CA 1.822 57.528 56.100 -0.656 0.000 0.943 218 R CB -0.848 28.714 30.300 -1.230 0.000 0.846 218 R HN 0.532 nan 8.270 nan 0.000 0.431 219 L N -0.339 120.612 121.223 -0.454 0.000 2.017 219 L HA -0.167 4.055 4.340 -0.197 0.000 0.208 219 L C 2.338 179.060 176.870 -0.247 0.000 1.073 219 L CA 1.764 56.383 54.840 -0.369 0.000 0.745 219 L CB -0.611 41.361 42.059 -0.144 0.000 0.894 219 L HN 0.229 nan 8.230 nan 0.000 0.432 220 S N -0.542 115.108 115.700 -0.084 0.000 2.387 220 S HA -0.281 4.071 4.470 -0.197 0.000 0.230 220 S C 1.919 176.447 174.600 -0.120 0.000 1.035 220 S CA 1.437 59.645 58.200 0.012 0.000 1.014 220 S CB -0.274 62.952 63.200 0.044 0.000 0.836 220 S HN 0.455 nan 8.310 nan 0.000 0.466 221 Q N 0.128 119.814 119.800 -0.191 0.000 2.079 221 Q HA -0.002 4.220 4.340 -0.197 0.000 0.200 221 Q C 2.396 178.275 176.000 -0.201 0.000 0.974 221 Q CA 1.069 56.762 55.803 -0.183 0.000 0.840 221 Q CB -0.085 28.546 28.738 -0.178 0.000 0.898 221 Q HN 0.373 nan 8.270 nan 0.000 0.430 222 R N -0.765 119.529 120.500 -0.343 0.000 2.161 222 R HA 0.004 4.226 4.340 -0.197 0.000 0.213 222 R C -0.072 176.067 176.300 -0.269 0.000 1.055 222 R CA 0.557 56.392 56.100 -0.442 0.000 0.996 222 R CB 0.507 30.328 30.300 -0.797 0.000 0.901 222 R HN 0.052 nan 8.270 nan 0.000 0.456 223 F N -0.226 119.712 119.950 -0.020 0.000 2.530 223 F HA 0.375 4.786 4.527 -0.193 0.000 0.318 223 F C -1.949 173.864 175.800 0.022 0.000 1.356 223 F CA -3.311 54.694 58.000 0.009 0.000 1.135 223 F CB 1.106 40.125 39.000 0.031 0.000 1.315 223 F HN -0.174 nan 8.300 nan 0.000 0.549 224 P HA -0.179 nan 4.420 nan 0.000 0.217 224 P C 1.557 178.896 177.300 0.066 0.000 1.148 224 P CA 1.420 64.533 63.100 0.021 0.000 0.828 224 P CB 0.212 31.892 31.700 -0.033 0.000 0.783 225 K N -1.424 119.037 120.400 0.101 0.000 2.459 225 K HA 0.342 4.544 4.320 -0.197 0.000 0.193 225 K C 1.252 177.926 176.600 0.125 0.000 1.030 225 K CA 0.505 56.846 56.287 0.089 0.000 1.026 225 K CB -0.910 31.623 32.500 0.055 0.000 0.809 225 K HN 0.248 nan 8.250 nan 0.000 0.504 226 A N 1.606 124.535 122.820 0.182 0.000 2.366 226 A HA 0.308 4.510 4.320 -0.197 0.000 0.249 226 A C 0.140 177.862 177.584 0.231 0.000 1.084 226 A CA -0.339 51.799 52.037 0.169 0.000 0.794 226 A CB 0.216 19.324 19.000 0.180 0.000 1.034 226 A HN 0.227 nan 8.150 nan 0.000 0.491 227 E N 0.569 120.840 120.200 0.119 0.000 2.301 227 E HA 0.155 4.387 4.350 -0.197 0.000 0.275 227 E C 0.535 177.073 176.600 -0.102 0.000 1.030 227 E CA -0.411 56.036 56.400 0.078 0.000 0.852 227 E CB 0.751 30.479 29.700 0.046 0.000 1.060 227 E HN 0.610 nan 8.360 nan 0.000 0.401 228 F N 3.207 122.860 119.950 -0.495 0.000 2.085 228 F HA -0.325 4.084 4.527 -0.198 0.000 0.299 228 F C 1.894 177.500 175.800 -0.323 0.000 1.096 228 F CA 2.314 59.834 58.000 -0.800 0.000 1.227 228 F CB -0.307 38.291 39.000 -0.669 0.000 0.983 228 F HN 0.572 nan 8.300 nan 0.000 0.482 229 A N -0.694 121.957 122.820 -0.282 0.000 1.972 229 A HA -0.203 3.999 4.320 -0.197 0.000 0.219 229 A C 2.070 179.507 177.584 -0.246 0.000 1.169 229 A CA 1.794 53.663 52.037 -0.279 0.000 0.635 229 A CB -0.797 18.158 19.000 -0.074 0.000 0.810 229 A HN 0.487 nan 8.150 nan 0.000 0.446 230 E N -0.071 120.032 120.200 -0.162 0.000 2.028 230 E HA -0.083 4.149 4.350 -0.197 0.000 0.190 230 E C 1.933 178.465 176.600 -0.113 0.000 0.984 230 E CA 1.387 57.739 56.400 -0.079 0.000 0.800 230 E CB -0.542 29.154 29.700 -0.007 0.000 0.758 230 E HN 0.201 nan 8.360 nan 0.000 0.448 231 V N 0.703 120.534 119.914 -0.139 0.000 2.231 231 V HA -0.364 3.638 4.120 -0.197 0.000 0.250 231 V C 2.339 178.316 176.094 -0.195 0.000 1.058 231 V CA 2.295 64.535 62.300 -0.099 0.000 1.022 231 V CB -0.986 30.792 31.823 -0.076 0.000 0.640 231 V HN 0.279 nan 8.190 nan 0.000 0.445 232 S N -0.570 114.874 115.700 -0.426 0.000 2.380 232 S HA -0.312 4.040 4.470 -0.197 0.000 0.229 232 S C 2.018 176.503 174.600 -0.191 0.000 1.043 232 S CA 1.938 59.917 58.200 -0.369 0.000 1.038 232 S CB -0.409 62.456 63.200 -0.559 0.000 0.872 232 S HN 0.529 nan 8.310 nan 0.000 0.456 233 K N 1.487 121.778 120.400 -0.181 0.000 2.025 233 K HA 0.016 4.218 4.320 -0.197 0.000 0.207 233 K C 2.072 178.592 176.600 -0.134 0.000 1.049 233 K CA 1.089 57.286 56.287 -0.150 0.000 0.933 233 K CB -0.574 31.827 32.500 -0.164 0.000 0.714 233 K HN 0.372 nan 8.250 nan 0.000 0.438 234 L N 0.840 122.002 121.223 -0.101 0.000 2.012 234 L HA -0.211 4.011 4.340 -0.197 0.000 0.210 234 L C 2.603 179.482 176.870 0.016 0.000 1.073 234 L CA 1.154 55.973 54.840 -0.036 0.000 0.748 234 L CB -0.658 41.436 42.059 0.058 0.000 0.891 234 L HN -0.043 nan 8.230 nan 0.000 0.431 235 V N -0.268 119.653 119.914 0.012 0.000 2.282 235 V HA -0.332 3.670 4.120 -0.197 0.000 0.249 235 V C 2.583 178.732 176.094 0.091 0.000 1.057 235 V CA 2.528 64.865 62.300 0.062 0.000 1.032 235 V CB -0.901 30.933 31.823 0.019 0.000 0.645 235 V HN 0.513 nan 8.190 nan 0.000 0.447 236 T N -0.547 114.022 114.554 0.026 0.000 2.759 236 T HA -0.193 4.039 4.350 -0.197 0.000 0.269 236 T C 1.584 176.301 174.700 0.029 0.000 1.042 236 T CA 1.704 63.820 62.100 0.027 0.000 1.140 236 T CB -0.356 68.503 68.868 -0.016 0.000 0.864 236 T HN 0.504 nan 8.240 nan 0.000 0.455 237 D N 0.906 121.307 120.400 0.001 0.000 2.075 237 D HA -0.008 4.514 4.640 -0.197 0.000 0.196 237 D C 2.100 178.433 176.300 0.054 0.000 0.985 237 D CA 0.475 54.472 54.000 -0.004 0.000 0.834 237 D CB -0.777 39.986 40.800 -0.061 0.000 0.987 237 D HN 0.083 nan 8.370 nan 0.000 0.452 238 L N 1.171 122.461 121.223 0.113 0.000 2.030 238 L HA -0.275 3.947 4.340 -0.197 0.000 0.222 238 L C 2.274 179.290 176.870 0.243 0.000 1.082 238 L CA 1.974 56.947 54.840 0.222 0.000 0.785 238 L CB -1.221 41.033 42.059 0.326 0.000 0.895 238 L HN 0.049 nan 8.230 nan 0.000 0.439 239 T N -0.948 113.757 114.554 0.251 0.000 2.570 239 T HA -0.337 3.895 4.350 -0.197 0.000 0.266 239 T C 2.001 176.669 174.700 -0.054 0.000 1.071 239 T CA 2.383 64.522 62.100 0.065 0.000 1.172 239 T CB -0.407 68.530 68.868 0.115 0.000 0.864 239 T HN 0.324 nan 8.240 nan 0.000 0.421 240 K N 0.497 120.895 120.400 -0.003 0.000 2.113 240 K HA -0.133 4.069 4.320 -0.197 0.000 0.208 240 K C 2.350 178.934 176.600 -0.028 0.000 1.047 240 K CA 1.430 57.706 56.287 -0.019 0.000 0.928 240 K CB -1.110 31.386 32.500 -0.005 0.000 0.716 240 K HN 0.343 nan 8.250 nan 0.000 0.446 241 V N 0.654 120.553 119.914 -0.025 0.000 2.237 241 V HA -0.233 3.769 4.120 -0.197 0.000 0.245 241 V C 2.582 178.611 176.094 -0.108 0.000 1.046 241 V CA 2.309 64.570 62.300 -0.064 0.000 1.007 241 V CB -0.646 31.126 31.823 -0.085 0.000 0.638 241 V HN 0.647 nan 8.190 nan 0.000 0.445 242 H N -0.156 118.898 119.070 -0.027 0.000 2.423 242 H HA -0.095 4.349 4.556 -0.186 0.000 0.297 242 H C 2.428 177.662 175.328 -0.156 0.000 1.075 242 H CA 1.887 57.861 56.048 -0.124 0.000 1.342 242 H CB -0.525 29.045 29.762 -0.320 0.000 1.395 242 H HN 0.426 nan 8.280 nan 0.000 0.530 243 T N 0.859 115.354 114.554 -0.098 0.000 2.803 243 T HA -0.120 4.112 4.350 -0.197 0.000 0.269 243 T C 1.811 176.523 174.700 0.021 0.000 1.052 243 T CA 1.306 63.361 62.100 -0.075 0.000 1.136 243 T CB 0.050 68.865 68.868 -0.088 0.000 0.864 243 T HN 0.541 nan 8.240 nan 0.000 0.467 244 E N 0.073 120.290 120.200 0.028 0.000 2.030 244 E HA -0.028 4.204 4.350 -0.197 0.000 0.189 244 E C 2.547 179.201 176.600 0.091 0.000 0.974 244 E CA 0.753 57.194 56.400 0.069 0.000 0.807 244 E CB -0.328 29.387 29.700 0.025 0.000 0.771 244 E HN 0.357 nan 8.360 nan 0.000 0.451 245 c N 0.920 119.566 118.600 0.078 0.000 2.393 245 c HA -0.215 4.237 4.570 -0.197 0.000 0.276 245 c C 2.973 177.127 174.090 0.106 0.000 1.215 245 c CA 0.723 57.113 56.329 0.101 0.000 1.743 245 c CB -0.818 41.825 42.510 0.222 0.000 2.044 245 c HN 0.622 nan 8.230 nan 0.000 0.464 246 c N -1.481 117.207 118.600 0.145 0.000 2.411 246 c HA -0.157 4.295 4.570 -0.197 0.000 0.279 246 c C 2.362 176.553 174.090 0.169 0.000 1.288 246 c CA 1.545 57.979 56.329 0.174 0.000 1.764 246 c CB -1.930 40.676 42.510 0.160 0.000 1.974 246 c HN 0.771 nan 8.230 nan 0.000 0.498 247 H N -0.308 118.798 119.070 0.060 0.000 2.539 247 H HA 0.272 4.708 4.556 -0.199 0.000 0.267 247 H C 1.609 176.984 175.328 0.079 0.000 0.982 247 H CA 0.840 56.933 56.048 0.076 0.000 1.146 247 H CB -0.340 29.472 29.762 0.082 0.000 1.382 247 H HN 0.427 nan 8.280 nan 0.000 0.577 248 G N 0.448 109.230 108.800 -0.029 0.000 2.141 248 G HA2 -0.233 3.609 3.960 -0.197 0.000 0.242 248 G HA3 -0.233 3.609 3.960 -0.197 0.000 0.242 248 G C -0.133 174.735 174.900 -0.053 0.000 0.982 248 G CA 0.236 45.255 45.100 -0.136 0.000 0.662 248 G HN 0.499 nan 8.290 nan 0.000 0.527 249 D N 1.290 121.704 120.400 0.024 0.000 2.896 249 D HA 0.299 4.821 4.640 -0.197 0.000 0.240 249 D C 2.213 178.446 176.300 -0.111 0.000 1.193 249 D CA -0.333 53.644 54.000 -0.039 0.000 0.983 249 D CB -0.007 40.820 40.800 0.046 0.000 1.074 249 D HN 0.375 nan 8.370 nan 0.000 0.496 250 L N -0.313 120.796 121.223 -0.190 0.000 2.043 250 L HA -0.216 4.006 4.340 -0.197 0.000 0.212 250 L C 2.332 179.098 176.870 -0.173 0.000 1.075 250 L CA 1.081 55.808 54.840 -0.188 0.000 0.752 250 L CB -0.405 41.498 42.059 -0.259 0.000 0.891 250 L HN 0.283 nan 8.230 nan 0.000 0.432 251 L N -0.175 120.924 121.223 -0.205 0.000 1.961 251 L HA -0.196 4.026 4.340 -0.197 0.000 0.210 251 L C 2.893 179.706 176.870 -0.094 0.000 1.072 251 L CA 1.488 56.244 54.840 -0.140 0.000 0.749 251 L CB -0.917 41.078 42.059 -0.107 0.000 0.889 251 L HN 0.389 nan 8.230 nan 0.000 0.432 252 E N 0.216 120.357 120.200 -0.099 0.000 2.118 252 E HA -0.297 3.935 4.350 -0.197 0.000 0.195 252 E C 2.351 178.915 176.600 -0.061 0.000 0.992 252 E CA 1.754 58.103 56.400 -0.086 0.000 0.804 252 E CB -1.333 28.316 29.700 -0.086 0.000 0.741 252 E HN 0.583 nan 8.360 nan 0.000 0.458 253 c N 1.800 120.365 118.600 -0.058 0.000 2.413 253 c HA 0.007 4.459 4.570 -0.197 0.000 0.276 253 c C 3.094 177.151 174.090 -0.057 0.000 1.236 253 c CA 1.757 58.061 56.329 -0.042 0.000 1.735 253 c CB -1.166 41.330 42.510 -0.023 0.000 2.031 253 c HN 0.560 nan 8.230 nan 0.000 0.474 254 A N -0.318 122.456 122.820 -0.076 0.000 1.933 254 A HA -0.139 4.063 4.320 -0.197 0.000 0.218 254 A C 2.023 179.582 177.584 -0.042 0.000 1.175 254 A CA 2.133 54.124 52.037 -0.077 0.000 0.628 254 A CB -0.787 18.163 19.000 -0.082 0.000 0.814 254 A HN 0.711 nan 8.150 nan 0.000 0.444 255 D N 0.285 120.665 120.400 -0.034 0.000 2.081 255 D HA -0.149 4.373 4.640 -0.197 0.000 0.194 255 D C 1.362 177.662 176.300 0.000 0.000 0.986 255 D CA 1.427 55.421 54.000 -0.010 0.000 0.837 255 D CB -0.376 40.410 40.800 -0.023 0.000 0.985 255 D HN 0.377 nan 8.370 nan 0.000 0.448 256 D N 0.153 120.547 120.400 -0.009 0.000 2.172 256 D HA -0.209 4.313 4.640 -0.197 0.000 0.196 256 D C 2.087 178.393 176.300 0.010 0.000 0.999 256 D CA 0.645 54.646 54.000 0.002 0.000 0.856 256 D CB -0.188 40.608 40.800 -0.008 0.000 0.934 256 D HN 0.279 nan 8.370 nan 0.000 0.453 257 R N 0.718 121.217 120.500 -0.001 0.000 2.148 257 R HA -0.060 4.162 4.340 -0.197 0.000 0.227 257 R C 2.078 178.394 176.300 0.027 0.000 1.103 257 R CA 1.074 57.182 56.100 0.012 0.000 0.983 257 R CB 0.031 30.318 30.300 -0.021 0.000 0.874 257 R HN 0.094 nan 8.270 nan 0.000 0.451 258 A N 1.211 124.044 122.820 0.022 0.000 1.872 258 A HA -0.132 4.070 4.320 -0.197 0.000 0.214 258 A C 1.553 179.169 177.584 0.053 0.000 1.187 258 A CA 1.495 53.553 52.037 0.035 0.000 0.614 258 A CB -0.436 18.582 19.000 0.031 0.000 0.826 258 A HN 0.303 nan 8.150 nan 0.000 0.442 259 D N -0.055 120.378 120.400 0.054 0.000 2.137 259 D HA -0.206 4.316 4.640 -0.197 0.000 0.189 259 D C 1.832 178.189 176.300 0.095 0.000 0.998 259 D CA 1.656 55.698 54.000 0.071 0.000 0.839 259 D CB -0.787 40.049 40.800 0.059 0.000 0.962 259 D HN 0.276 nan 8.370 nan 0.000 0.446 260 L N 0.868 122.136 121.223 0.075 0.000 2.064 260 L HA -0.240 3.982 4.340 -0.197 0.000 0.216 260 L C 2.117 179.066 176.870 0.131 0.000 1.077 260 L CA 2.223 57.116 54.840 0.089 0.000 0.766 260 L CB -0.890 41.207 42.059 0.064 0.000 0.890 260 L HN 0.048 nan 8.230 nan 0.000 0.435 261 A N -1.338 121.543 122.820 0.101 0.000 1.930 261 A HA -0.199 4.003 4.320 -0.197 0.000 0.217 261 A C 2.341 179.978 177.584 0.087 0.000 1.175 261 A CA 1.728 53.820 52.037 0.091 0.000 0.627 261 A CB -0.432 18.610 19.000 0.069 0.000 0.815 261 A HN 0.506 nan 8.150 nan 0.000 0.443 262 K N -1.563 118.892 120.400 0.091 0.000 1.963 262 K HA -0.169 4.033 4.320 -0.197 0.000 0.216 262 K C 1.877 178.527 176.600 0.083 0.000 1.045 262 K CA 1.740 58.071 56.287 0.073 0.000 0.954 262 K CB -0.578 31.966 32.500 0.074 0.000 0.732 262 K HN 0.488 nan 8.250 nan 0.000 0.442 263 Y N 1.810 122.113 120.300 0.004 0.000 2.038 263 Y HA -0.371 4.061 4.550 -0.197 0.000 0.266 263 Y C 2.003 177.890 175.900 -0.023 0.000 1.220 263 Y CA 2.137 60.233 58.100 -0.006 0.000 1.107 263 Y CB -0.407 38.052 38.460 -0.001 0.000 0.932 263 Y HN 0.130 nan 8.280 nan 0.000 0.500 264 I N -1.037 119.679 120.570 0.243 0.000 2.248 264 I HA -0.433 3.619 4.170 -0.197 0.000 0.248 264 I C 2.521 178.605 176.117 -0.055 0.000 1.107 264 I CA 1.491 62.848 61.300 0.095 0.000 1.373 264 I CB -0.633 37.426 38.000 0.097 0.000 1.055 264 I HN 0.448 nan 8.210 nan 0.000 0.418 265 c N 0.591 119.171 118.600 -0.034 0.000 2.440 265 c HA -0.100 4.352 4.570 -0.197 0.000 0.278 265 c C 2.614 176.648 174.090 -0.093 0.000 1.295 265 c CA 0.650 56.949 56.329 -0.051 0.000 1.738 265 c CB -0.953 41.547 42.510 -0.016 0.000 1.987 265 c HN 0.502 nan 8.230 nan 0.000 0.492 266 E N 1.249 121.367 120.200 -0.137 0.000 2.028 266 E HA -0.146 4.086 4.350 -0.197 0.000 0.191 266 E C 0.941 177.415 176.600 -0.210 0.000 0.988 266 E CA 1.188 57.488 56.400 -0.166 0.000 0.799 266 E CB -0.350 29.230 29.700 -0.200 0.000 0.755 266 E HN 0.676 nan 8.360 nan 0.000 0.447 267 N N 1.208 119.715 118.700 -0.322 0.000 2.362 267 N HA -0.001 4.621 4.740 -0.197 0.000 0.211 267 N C 0.865 176.262 175.510 -0.189 0.000 1.170 267 N CA -0.016 52.861 53.050 -0.289 0.000 0.828 267 N CB 0.179 38.397 38.487 -0.450 0.000 1.034 267 N HN 0.164 nan 8.380 nan 0.000 0.475 268 Q N 0.793 120.501 119.800 -0.153 0.000 2.028 268 Q HA -0.273 3.949 4.340 -0.197 0.000 0.213 268 Q C 0.755 176.684 176.000 -0.120 0.000 1.017 268 Q CA 1.868 57.593 55.803 -0.129 0.000 0.875 268 Q CB -0.182 28.503 28.738 -0.089 0.000 0.962 268 Q HN 0.556 nan 8.270 nan 0.000 0.413 269 D N -0.256 120.089 120.400 -0.091 0.000 2.190 269 D HA -0.117 4.405 4.640 -0.197 0.000 0.200 269 D C 1.722 177.983 176.300 -0.065 0.000 0.992 269 D CA 1.264 55.224 54.000 -0.067 0.000 0.854 269 D CB -0.166 40.602 40.800 -0.053 0.000 0.936 269 D HN 0.144 nan 8.370 nan 0.000 0.462 270 S N -0.408 115.245 115.700 -0.079 0.000 2.562 270 S HA 0.100 4.452 4.470 -0.197 0.000 0.221 270 S C 1.899 176.454 174.600 -0.075 0.000 0.975 270 S CA 0.108 58.272 58.200 -0.059 0.000 0.918 270 S CB 0.481 63.649 63.200 -0.054 0.000 0.772 270 S HN 0.270 nan 8.310 nan 0.000 0.531 271 I N -1.217 119.266 120.570 -0.145 0.000 3.632 271 I HA 0.237 4.289 4.170 -0.197 0.000 0.246 271 I C 0.693 176.646 176.117 -0.273 0.000 1.125 271 I CA 0.080 61.216 61.300 -0.273 0.000 1.519 271 I CB 0.383 38.098 38.000 -0.474 0.000 1.555 271 I HN 0.085 nan 8.210 nan 0.000 0.452 272 S N -0.518 115.026 115.700 -0.260 0.000 2.570 272 S HA 0.299 4.651 4.470 -0.197 0.000 0.270 272 S C 0.132 174.703 174.600 -0.048 0.000 1.149 272 S CA -0.197 57.948 58.200 -0.091 0.000 0.837 272 S CB 1.586 64.784 63.200 -0.004 0.000 1.124 272 S HN 0.255 nan 8.310 nan 0.000 0.465 273 S N 1.986 117.689 115.700 0.004 0.000 2.577 273 S HA 0.303 4.655 4.470 -0.197 0.000 0.219 273 S C 0.612 175.221 174.600 0.015 0.000 0.962 273 S CA -0.320 57.880 58.200 0.001 0.000 0.921 273 S CB -0.104 63.098 63.200 0.004 0.000 0.789 273 S HN 0.586 nan 8.310 nan 0.000 0.497 274 K N 0.885 121.307 120.400 0.036 0.000 2.358 274 K HA 0.365 4.567 4.320 -0.197 0.000 0.200 274 K C 0.677 177.302 176.600 0.042 0.000 1.030 274 K CA -0.008 56.305 56.287 0.044 0.000 1.097 274 K CB 0.139 32.679 32.500 0.066 0.000 0.862 274 K HN 0.415 nan 8.250 nan 0.000 0.534 275 L N 1.444 122.682 121.223 0.025 0.000 2.627 275 L HA -0.041 4.181 4.340 -0.197 0.000 0.233 275 L C 1.457 178.330 176.870 0.004 0.000 1.144 275 L CA 0.208 55.057 54.840 0.014 0.000 0.892 275 L CB -0.208 41.835 42.059 -0.027 0.000 1.039 275 L HN 0.030 nan 8.230 nan 0.000 0.442 276 K N -0.154 120.249 120.400 0.005 0.000 1.980 276 K HA -0.102 4.100 4.320 -0.197 0.000 0.208 276 K C 1.661 178.268 176.600 0.012 0.000 1.043 276 K CA 0.968 57.257 56.287 0.003 0.000 0.938 276 K CB -0.633 31.868 32.500 0.002 0.000 0.724 276 K HN 0.008 nan 8.250 nan 0.000 0.438 277 E N 0.792 121.002 120.200 0.018 0.000 2.114 277 E HA -0.234 3.998 4.350 -0.197 0.000 0.199 277 E C 2.201 178.819 176.600 0.029 0.000 1.008 277 E CA 1.665 58.079 56.400 0.024 0.000 0.810 277 E CB -0.734 28.983 29.700 0.027 0.000 0.739 277 E HN 0.342 nan 8.360 nan 0.000 0.456 278 c N 0.444 119.062 118.600 0.030 0.000 2.436 278 c HA -0.147 4.305 4.570 -0.197 0.000 0.277 278 c C 2.941 177.051 174.090 0.033 0.000 1.241 278 c CA 0.598 56.948 56.329 0.035 0.000 1.721 278 c CB -0.980 41.551 42.510 0.035 0.000 2.043 278 c HN 0.520 nan 8.230 nan 0.000 0.472 279 c N 0.465 119.079 118.600 0.022 0.000 2.485 279 c HA -0.029 4.423 4.570 -0.197 0.000 0.283 279 c C 1.519 175.621 174.090 0.019 0.000 1.478 279 c CA 0.603 56.943 56.329 0.018 0.000 1.741 279 c CB -2.013 40.499 42.510 0.003 0.000 1.675 279 c HN 0.613 nan 8.230 nan 0.000 0.573 280 E N 1.087 121.300 120.200 0.022 0.000 2.411 280 E HA 0.123 4.355 4.350 -0.197 0.000 0.228 280 E C 0.362 176.980 176.600 0.031 0.000 1.169 280 E CA -0.015 56.399 56.400 0.022 0.000 1.421 280 E CB -0.037 29.674 29.700 0.018 0.000 1.333 280 E HN 0.736 nan 8.360 nan 0.000 0.434 281 K N -1.933 118.489 120.400 0.037 0.000 2.571 281 K HA 0.511 4.713 4.320 -0.197 0.000 0.289 281 K C -3.096 173.535 176.600 0.051 0.000 1.028 281 K CA -2.084 54.231 56.287 0.047 0.000 0.895 281 K CB 0.428 32.964 32.500 0.059 0.000 1.534 281 K HN -0.263 nan 8.250 nan 0.000 0.421 282 P HA -0.081 nan 4.420 nan 0.000 0.267 282 P C 0.714 178.057 177.300 0.070 0.000 1.201 282 P CA -0.474 62.663 63.100 0.060 0.000 0.775 282 P CB 0.331 32.069 31.700 0.064 0.000 0.854 283 L N 3.647 124.907 121.223 0.061 0.000 1.965 283 L HA -0.246 3.976 4.340 -0.197 0.000 0.226 283 L C 1.982 178.901 176.870 0.081 0.000 1.083 283 L CA 1.991 56.868 54.840 0.061 0.000 0.790 283 L CB -1.458 40.631 42.059 0.049 0.000 0.898 283 L HN 0.367 nan 8.230 nan 0.000 0.439 284 L N -0.886 120.398 121.223 0.102 0.000 2.043 284 L HA -0.264 3.958 4.340 -0.197 0.000 0.212 284 L C 2.488 179.484 176.870 0.211 0.000 1.075 284 L CA 1.824 56.759 54.840 0.158 0.000 0.752 284 L CB -0.754 41.423 42.059 0.196 0.000 0.891 284 L HN 0.392 nan 8.230 nan 0.000 0.432 285 E N -0.342 119.990 120.200 0.219 0.000 2.274 285 E HA -0.167 4.065 4.350 -0.197 0.000 0.194 285 E C 2.012 178.687 176.600 0.125 0.000 0.996 285 E CA 0.638 57.176 56.400 0.229 0.000 0.840 285 E CB 0.075 29.902 29.700 0.212 0.000 0.772 285 E HN 0.314 nan 8.360 nan 0.000 0.491 286 K N 0.130 120.586 120.400 0.093 0.000 1.980 286 K HA -0.045 4.157 4.320 -0.197 0.000 0.208 286 K C 2.189 178.818 176.600 0.048 0.000 1.043 286 K CA 1.417 57.743 56.287 0.064 0.000 0.938 286 K CB -0.122 32.412 32.500 0.057 0.000 0.724 286 K HN -0.063 nan 8.250 nan 0.000 0.438 287 S N -0.066 115.664 115.700 0.050 0.000 2.368 287 S HA -0.263 4.089 4.470 -0.197 0.000 0.226 287 S C 1.827 176.429 174.600 0.003 0.000 1.044 287 S CA 1.944 60.169 58.200 0.042 0.000 1.062 287 S CB -0.649 62.575 63.200 0.040 0.000 0.931 287 S HN 0.500 nan 8.310 nan 0.000 0.440 288 H N 0.071 119.043 119.070 -0.163 0.000 2.319 288 H HA -0.122 4.312 4.556 -0.203 0.000 0.299 288 H C 2.504 177.719 175.328 -0.189 0.000 1.092 288 H CA 1.920 57.771 56.048 -0.329 0.000 1.302 288 H CB -0.862 28.346 29.762 -0.924 0.000 1.373 288 H HN 0.451 nan 8.280 nan 0.000 0.497 289 c N -0.007 118.521 118.600 -0.120 0.000 2.413 289 c HA -0.131 4.321 4.570 -0.197 0.000 0.277 289 c C 2.825 176.870 174.090 -0.074 0.000 1.228 289 c CA 1.261 57.539 56.329 -0.085 0.000 1.731 289 c CB -1.387 41.136 42.510 0.021 0.000 2.042 289 c HN 0.698 nan 8.230 nan 0.000 0.468 290 I N 1.500 122.062 120.570 -0.013 0.000 2.163 290 I HA -0.182 3.870 4.170 -0.197 0.000 0.243 290 I C 2.863 179.009 176.117 0.049 0.000 1.085 290 I CA 1.757 63.089 61.300 0.053 0.000 1.347 290 I CB -0.742 37.311 38.000 0.087 0.000 1.044 290 I HN 0.415 nan 8.210 nan 0.000 0.408 291 A N -0.095 122.725 122.820 -0.001 0.000 2.076 291 A HA -0.181 4.021 4.320 -0.197 0.000 0.220 291 A C 1.795 179.345 177.584 -0.057 0.000 1.160 291 A CA 1.554 53.596 52.037 0.009 0.000 0.653 291 A CB -0.420 18.598 19.000 0.031 0.000 0.801 291 A HN 0.512 nan 8.150 nan 0.000 0.455 292 E N -0.038 120.078 120.200 -0.140 0.000 2.736 292 E HA 0.233 4.465 4.350 -0.197 0.000 0.208 292 E C -0.436 176.120 176.600 -0.073 0.000 0.996 292 E CA -0.332 55.990 56.400 -0.131 0.000 1.104 292 E CB 0.775 30.335 29.700 -0.234 0.000 1.111 292 E HN 0.490 nan 8.360 nan 0.000 0.455 293 V N -0.720 119.177 119.914 -0.028 0.000 2.881 293 V HA 0.220 4.222 4.120 -0.197 0.000 0.303 293 V C 0.312 176.402 176.094 -0.008 0.000 1.070 293 V CA -0.872 61.437 62.300 0.014 0.000 1.074 293 V CB 0.977 32.859 31.823 0.098 0.000 1.012 293 V HN 0.205 nan 8.190 nan 0.000 0.482 294 E N 2.851 123.053 120.200 0.003 0.000 2.345 294 E HA 0.281 4.513 4.350 -0.197 0.000 0.259 294 E C -0.480 176.112 176.600 -0.013 0.000 1.117 294 E CA -0.885 55.506 56.400 -0.015 0.000 0.913 294 E CB 0.319 30.014 29.700 -0.008 0.000 1.057 294 E HN 0.701 nan 8.360 nan 0.000 0.432 295 N N 2.188 120.863 118.700 -0.041 0.000 2.412 295 N HA -0.045 4.577 4.740 -0.197 0.000 0.258 295 N C -0.383 175.129 175.510 0.004 0.000 1.236 295 N CA 0.265 53.288 53.050 -0.045 0.000 0.882 295 N CB 0.327 38.775 38.487 -0.065 0.000 1.066 295 N HN 0.547 nan 8.380 nan 0.000 0.465 296 D N 1.080 121.509 120.400 0.047 0.000 2.361 296 D HA 0.014 4.536 4.640 -0.197 0.000 0.239 296 D C -0.265 176.045 176.300 0.017 0.000 1.200 296 D CA 0.050 54.086 54.000 0.060 0.000 0.915 296 D CB 0.732 41.601 40.800 0.114 0.000 1.170 296 D HN 0.262 nan 8.370 nan 0.000 0.444 297 E N 0.801 121.006 120.200 0.009 0.000 2.376 297 E HA 0.057 4.289 4.350 -0.197 0.000 0.266 297 E C -0.025 176.562 176.600 -0.021 0.000 1.009 297 E CA 0.085 56.478 56.400 -0.011 0.000 0.902 297 E CB 0.432 30.126 29.700 -0.010 0.000 0.972 297 E HN 0.329 nan 8.360 nan 0.000 0.439 298 M N 4.785 124.359 119.600 -0.044 0.000 2.269 298 M HA 0.092 4.454 4.480 -0.197 0.000 0.350 298 M C -2.006 174.260 176.300 -0.057 0.000 1.429 298 M CA -1.231 54.029 55.300 -0.067 0.000 1.063 298 M CB 0.471 33.011 32.600 -0.100 0.000 1.841 298 M HN 0.234 nan 8.290 nan 0.000 0.455 299 P HA 0.036 nan 4.420 nan 0.000 0.265 299 P C -0.311 176.958 177.300 -0.052 0.000 1.193 299 P CA 0.001 63.077 63.100 -0.040 0.000 0.765 299 P CB 0.702 32.382 31.700 -0.033 0.000 0.823 300 A N 3.996 126.793 122.820 -0.039 0.000 1.836 300 A HA -0.145 4.057 4.320 -0.197 0.000 0.215 300 A C 0.734 178.291 177.584 -0.046 0.000 1.214 300 A CA 1.449 53.461 52.037 -0.041 0.000 0.636 300 A CB -0.970 18.013 19.000 -0.029 0.000 0.847 300 A HN 0.538 nan 8.150 nan 0.000 0.451 301 D N 0.654 121.033 120.400 -0.035 0.000 2.468 301 D HA 0.453 4.975 4.640 -0.197 0.000 0.218 301 D C -0.943 175.334 176.300 -0.039 0.000 1.155 301 D CA 0.321 54.300 54.000 -0.035 0.000 0.924 301 D CB 0.549 41.335 40.800 -0.024 0.000 1.029 301 D HN 0.217 nan 8.370 nan 0.000 0.515 302 L N 3.926 125.116 121.223 -0.055 0.000 2.322 302 L HA 0.356 4.578 4.340 -0.197 0.000 0.281 302 L C -1.350 175.487 176.870 -0.056 0.000 1.014 302 L CA -1.549 53.255 54.840 -0.061 0.000 0.815 302 L CB 1.529 43.530 42.059 -0.096 0.000 1.247 302 L HN 0.130 nan 8.230 nan 0.000 0.421 303 P HA 0.029 nan 4.420 nan 0.000 0.278 303 P C -0.463 176.814 177.300 -0.038 0.000 1.270 303 P CA -0.438 62.641 63.100 -0.034 0.000 0.800 303 P CB 0.614 32.297 31.700 -0.028 0.000 1.142 304 S N -1.294 114.391 115.700 -0.025 0.000 2.554 304 S HA 0.216 4.568 4.470 -0.197 0.000 0.278 304 S C 1.438 176.053 174.600 0.024 0.000 1.242 304 S CA -0.773 57.421 58.200 -0.011 0.000 1.051 304 S CB -0.007 63.189 63.200 -0.007 0.000 0.986 304 S HN 0.365 nan 8.310 nan 0.000 0.502 305 L N 4.079 125.347 121.223 0.076 0.000 2.046 305 L HA -0.065 4.157 4.340 -0.197 0.000 0.208 305 L C 2.897 179.918 176.870 0.252 0.000 1.077 305 L CA 1.553 56.535 54.840 0.236 0.000 0.747 305 L CB -0.879 41.333 42.059 0.256 0.000 0.896 305 L HN 0.897 nan 8.230 nan 0.000 0.432 306 A N 0.243 123.117 122.820 0.090 0.000 1.971 306 A HA -0.349 3.853 4.320 -0.197 0.000 0.222 306 A C 2.502 180.075 177.584 -0.017 0.000 1.182 306 A CA 2.237 54.199 52.037 -0.125 0.000 0.649 306 A CB -0.880 17.988 19.000 -0.219 0.000 0.818 306 A HN 0.476 nan 8.150 nan 0.000 0.458 307 A N -0.140 122.677 122.820 -0.005 0.000 1.842 307 A HA -0.247 3.955 4.320 -0.197 0.000 0.217 307 A C 1.746 179.303 177.584 -0.045 0.000 1.206 307 A CA 2.155 54.180 52.037 -0.021 0.000 0.630 307 A CB -0.791 18.189 19.000 -0.033 0.000 0.839 307 A HN 0.467 nan 8.150 nan 0.000 0.447 308 D N -1.942 118.360 120.400 -0.163 0.000 2.347 308 D HA 0.121 4.643 4.640 -0.197 0.000 0.213 308 D C 1.143 177.237 176.300 -0.343 0.000 0.985 308 D CA 0.634 54.432 54.000 -0.336 0.000 0.879 308 D CB -0.088 40.342 40.800 -0.616 0.000 0.919 308 D HN 0.559 nan 8.370 nan 0.000 0.526 309 F N -0.716 119.347 119.950 0.187 0.000 2.717 309 F HA 0.086 4.497 4.527 -0.195 0.000 0.297 309 F C 1.880 177.830 175.800 0.249 0.000 1.113 309 F CA -0.189 57.984 58.000 0.288 0.000 1.319 309 F CB 0.757 39.932 39.000 0.291 0.000 1.097 309 F HN -0.112 nan 8.300 nan 0.000 0.595 310 V N -3.448 116.621 119.914 0.257 0.000 3.165 310 V HA 0.193 4.195 4.120 -0.197 0.000 0.231 310 V C 1.455 177.700 176.094 0.250 0.000 1.365 310 V CA 0.285 62.705 62.300 0.201 0.000 1.286 310 V CB -0.023 31.757 31.823 -0.072 0.000 1.081 310 V HN 0.084 nan 8.190 nan 0.000 0.477 311 E N 2.011 122.291 120.200 0.134 0.000 2.028 311 E HA 0.018 4.250 4.350 -0.197 0.000 0.190 311 E C 1.413 178.142 176.600 0.215 0.000 0.984 311 E CA 1.101 57.593 56.400 0.154 0.000 0.800 311 E CB -0.204 29.536 29.700 0.066 0.000 0.758 311 E HN 0.604 nan 8.360 nan 0.000 0.448 312 S N 0.214 116.008 115.700 0.156 0.000 2.536 312 S HA -0.052 4.300 4.470 -0.197 0.000 0.290 312 S C 0.806 175.542 174.600 0.227 0.000 1.302 312 S CA 1.075 59.359 58.200 0.140 0.000 1.037 312 S CB 0.819 64.075 63.200 0.093 0.000 0.804 312 S HN 0.298 nan 8.310 nan 0.000 0.506 313 K N 1.432 121.931 120.400 0.165 0.000 2.358 313 K HA 0.219 4.421 4.320 -0.197 0.000 0.200 313 K C 0.817 177.506 176.600 0.149 0.000 1.030 313 K CA 0.498 56.898 56.287 0.188 0.000 1.097 313 K CB -0.095 32.461 32.500 0.092 0.000 0.862 313 K HN 0.760 nan 8.250 nan 0.000 0.534 314 D N 0.187 120.648 120.400 0.103 0.000 2.349 314 D HA 0.056 4.578 4.640 -0.197 0.000 0.214 314 D C 1.648 177.946 176.300 -0.003 0.000 1.063 314 D CA 0.306 54.333 54.000 0.045 0.000 0.847 314 D CB 0.554 41.364 40.800 0.017 0.000 0.933 314 D HN 0.115 nan 8.370 nan 0.000 0.513 315 V N 0.794 120.731 119.914 0.039 0.000 2.218 315 V HA -0.380 3.622 4.120 -0.197 0.000 0.251 315 V C 2.614 178.601 176.094 -0.177 0.000 1.057 315 V CA 1.766 64.018 62.300 -0.080 0.000 1.022 315 V CB -0.911 30.795 31.823 -0.194 0.000 0.645 315 V HN 0.334 nan 8.190 nan 0.000 0.451 316 c N -0.074 118.506 118.600 -0.033 0.000 2.410 316 c HA -0.124 4.328 4.570 -0.197 0.000 0.281 316 c C 3.123 177.211 174.090 -0.002 0.000 1.318 316 c CA 1.303 57.647 56.329 0.023 0.000 1.776 316 c CB -1.541 41.037 42.510 0.113 0.000 1.942 316 c HN 0.743 nan 8.230 nan 0.000 0.508 317 K N 1.098 121.476 120.400 -0.038 0.000 2.001 317 K HA -0.122 4.080 4.320 -0.197 0.000 0.208 317 K C 1.664 178.192 176.600 -0.120 0.000 1.048 317 K CA 1.725 57.981 56.287 -0.052 0.000 0.932 317 K CB -0.960 31.522 32.500 -0.030 0.000 0.715 317 K HN 0.643 nan 8.250 nan 0.000 0.437 318 N N -0.744 117.823 118.700 -0.223 0.000 2.166 318 N HA -0.134 4.488 4.740 -0.197 0.000 0.186 318 N C 1.816 177.066 175.510 -0.433 0.000 1.019 318 N CA 1.629 54.479 53.050 -0.334 0.000 0.856 318 N CB -0.334 37.857 38.487 -0.493 0.000 0.993 318 N HN 0.571 nan 8.380 nan 0.000 0.426 319 Y N 2.028 121.910 120.300 -0.696 0.000 2.128 319 Y HA -0.155 4.276 4.550 -0.198 0.000 0.284 319 Y C 2.405 178.217 175.900 -0.147 0.000 1.154 319 Y CA 1.584 59.428 58.100 -0.427 0.000 1.149 319 Y CB -0.608 37.670 38.460 -0.302 0.000 0.976 319 Y HN 0.059 nan 8.280 nan 0.000 0.505 320 A N 0.191 122.873 122.820 -0.231 0.000 1.969 320 A HA -0.137 4.065 4.320 -0.197 0.000 0.218 320 A C 2.137 179.613 177.584 -0.180 0.000 1.169 320 A CA 1.596 53.492 52.037 -0.235 0.000 0.635 320 A CB -0.540 18.407 19.000 -0.088 0.000 0.810 320 A HN 0.562 nan 8.150 nan 0.000 0.445 321 E N -0.234 119.887 120.200 -0.133 0.000 2.017 321 E HA -0.053 4.179 4.350 -0.197 0.000 0.193 321 E C 0.826 177.391 176.600 -0.058 0.000 0.997 321 E CA 1.429 57.784 56.400 -0.075 0.000 0.804 321 E CB -0.177 29.493 29.700 -0.050 0.000 0.757 321 E HN 0.491 nan 8.360 nan 0.000 0.448 322 A N 0.777 123.570 122.820 -0.045 0.000 3.127 322 A HA 0.186 4.388 4.320 -0.197 0.000 0.319 322 A C 0.829 178.436 177.584 0.038 0.000 1.104 322 A CA -0.169 51.876 52.037 0.012 0.000 0.802 322 A CB 0.838 19.886 19.000 0.081 0.000 1.193 322 A HN -0.015 nan 8.150 nan 0.000 0.479 323 K N 0.785 121.114 120.400 -0.118 0.000 2.049 323 K HA -0.241 3.961 4.320 -0.197 0.000 0.219 323 K C 1.391 178.077 176.600 0.144 0.000 1.056 323 K CA 2.732 58.907 56.287 -0.186 0.000 0.946 323 K CB -0.608 31.646 32.500 -0.410 0.000 0.723 323 K HN 0.756 nan 8.250 nan 0.000 0.453 324 D N -0.476 119.995 120.400 0.117 0.000 2.084 324 D HA -0.081 4.441 4.640 -0.197 0.000 0.194 324 D C 2.075 178.514 176.300 0.232 0.000 0.990 324 D CA 1.898 56.001 54.000 0.171 0.000 0.826 324 D CB -0.458 40.418 40.800 0.127 0.000 0.971 324 D HN 0.283 nan 8.370 nan 0.000 0.453 325 V N 1.026 121.084 119.914 0.239 0.000 2.392 325 V HA -0.238 3.764 4.120 -0.197 0.000 0.249 325 V C 2.227 178.485 176.094 0.272 0.000 1.059 325 V CA 1.321 63.800 62.300 0.300 0.000 1.051 325 V CB -0.668 31.327 31.823 0.287 0.000 0.658 325 V HN 0.132 nan 8.190 nan 0.000 0.455 326 F N 0.179 120.227 119.950 0.163 0.000 2.046 326 F HA -0.223 4.187 4.527 -0.196 0.000 0.297 326 F C 2.208 178.175 175.800 0.277 0.000 1.123 326 F CA 1.828 59.964 58.000 0.226 0.000 1.199 326 F CB -0.086 39.090 39.000 0.293 0.000 0.972 326 F HN 0.009 nan 8.300 nan 0.000 0.474 327 L N -0.144 121.239 121.223 0.266 0.000 2.012 327 L HA -0.204 4.018 4.340 -0.197 0.000 0.210 327 L C 2.815 179.773 176.870 0.147 0.000 1.073 327 L CA 1.362 56.314 54.840 0.186 0.000 0.748 327 L CB -1.603 40.597 42.059 0.236 0.000 0.891 327 L HN 0.363 nan 8.230 nan 0.000 0.431 328 G N -0.287 108.624 108.800 0.184 0.000 2.469 328 G HA2 -0.302 3.540 3.960 -0.197 0.000 0.219 328 G HA3 -0.302 3.540 3.960 -0.197 0.000 0.219 328 G C 1.612 176.584 174.900 0.120 0.000 1.150 328 G CA 0.960 46.209 45.100 0.249 0.000 0.763 328 G HN 0.229 nan 8.290 nan 0.000 0.561 329 M N -0.805 118.658 119.600 -0.228 0.000 2.123 329 M HA 0.096 4.458 4.480 -0.197 0.000 0.263 329 M C 2.312 178.521 176.300 -0.152 0.000 1.069 329 M CA 1.003 56.017 55.300 -0.477 0.000 1.133 329 M CB -0.463 31.845 32.600 -0.486 0.000 1.356 329 M HN 0.244 nan 8.290 nan 0.000 0.415 330 F N 1.640 121.316 119.950 -0.456 0.000 2.032 330 F HA -0.346 4.062 4.527 -0.198 0.000 0.297 330 F C 2.029 177.587 175.800 -0.405 0.000 1.125 330 F CA 1.825 59.305 58.000 -0.867 0.000 1.202 330 F CB -0.649 37.857 39.000 -0.824 0.000 0.958 330 F HN -0.028 nan 8.300 nan 0.000 0.491 331 L N 0.099 121.251 121.223 -0.118 0.000 1.963 331 L HA -0.297 3.925 4.340 -0.197 0.000 0.220 331 L C 2.386 179.191 176.870 -0.107 0.000 1.076 331 L CA 2.509 57.294 54.840 -0.092 0.000 0.772 331 L CB -1.876 40.220 42.059 0.063 0.000 0.892 331 L HN 0.519 nan 8.230 nan 0.000 0.435 332 Y N 0.208 120.460 120.300 -0.080 0.000 2.139 332 Y HA -0.289 4.142 4.550 -0.198 0.000 0.282 332 Y C 2.421 178.273 175.900 -0.080 0.000 1.179 332 Y CA 2.220 60.316 58.100 -0.006 0.000 1.161 332 Y CB -0.168 38.409 38.460 0.194 0.000 0.970 332 Y HN 0.307 nan 8.280 nan 0.000 0.511 333 E N -0.690 119.358 120.200 -0.252 0.000 2.047 333 E HA -0.217 4.015 4.350 -0.197 0.000 0.191 333 E C 2.087 178.449 176.600 -0.397 0.000 0.987 333 E CA 1.451 57.644 56.400 -0.345 0.000 0.799 333 E CB -0.917 28.732 29.700 -0.086 0.000 0.752 333 E HN 0.648 nan 8.360 nan 0.000 0.449 334 Y N 1.019 120.958 120.300 -0.602 0.000 2.200 334 Y HA -0.120 4.312 4.550 -0.196 0.000 0.290 334 Y C 2.220 177.941 175.900 -0.299 0.000 1.137 334 Y CA 1.283 59.075 58.100 -0.514 0.000 1.163 334 Y CB -0.410 37.559 38.460 -0.818 0.000 0.988 334 Y HN 0.022 nan 8.280 nan 0.000 0.518 335 A N 1.189 123.954 122.820 -0.092 0.000 1.845 335 A HA -0.226 3.976 4.320 -0.197 0.000 0.215 335 A C 2.331 179.817 177.584 -0.165 0.000 1.195 335 A CA 2.060 54.039 52.037 -0.097 0.000 0.616 335 A CB -0.891 18.030 19.000 -0.131 0.000 0.832 335 A HN 0.574 nan 8.150 nan 0.000 0.443 336 R N 0.512 120.844 120.500 -0.280 0.000 2.154 336 R HA -0.210 4.012 4.340 -0.197 0.000 0.248 336 R C 1.598 177.731 176.300 -0.278 0.000 1.155 336 R CA 1.895 57.814 56.100 -0.301 0.000 0.979 336 R CB -0.529 29.494 30.300 -0.462 0.000 0.869 336 R HN 0.649 nan 8.270 nan 0.000 0.452 337 R N -0.386 119.907 120.500 -0.345 0.000 2.466 337 R HA 0.167 4.389 4.340 -0.197 0.000 0.279 337 R C -0.347 175.529 176.300 -0.708 0.000 0.976 337 R CA -0.144 55.675 56.100 -0.468 0.000 1.081 337 R CB 0.221 30.206 30.300 -0.524 0.000 1.215 337 R HN 0.299 nan 8.270 nan 0.000 0.546 338 H N 1.228 120.135 119.070 -0.273 0.000 2.597 338 H HA 0.205 4.642 4.556 -0.197 0.000 0.225 338 H C -2.126 173.115 175.328 -0.145 0.000 1.422 338 H CA -1.580 54.290 56.048 -0.297 0.000 1.335 338 H CB 1.740 31.178 29.762 -0.540 0.000 1.783 338 H HN 0.136 nan 8.280 nan 0.000 0.513 339 P HA -0.007 nan 4.420 nan 0.000 0.241 339 P C 0.541 177.888 177.300 0.078 0.000 1.191 339 P CA 0.497 63.600 63.100 0.004 0.000 0.771 339 P CB 0.591 32.267 31.700 -0.041 0.000 0.929 340 D N -1.467 119.028 120.400 0.159 0.000 2.349 340 D HA -0.000 4.522 4.640 -0.197 0.000 0.224 340 D C 0.335 176.835 176.300 0.334 0.000 1.029 340 D CA 0.577 54.708 54.000 0.219 0.000 0.879 340 D CB -0.246 40.699 40.800 0.241 0.000 0.906 340 D HN 0.177 nan 8.370 nan 0.000 0.528 341 Y N 0.891 121.209 120.300 0.029 0.000 2.376 341 Y HA 0.274 4.705 4.550 -0.198 0.000 0.325 341 Y C 0.940 176.819 175.900 -0.036 0.000 1.199 341 Y CA -2.028 56.062 58.100 -0.018 0.000 1.206 341 Y CB 1.132 39.564 38.460 -0.047 0.000 1.229 341 Y HN -0.291 nan 8.280 nan 0.000 0.480 342 S N 0.232 115.955 115.700 0.040 0.000 2.525 342 S HA 0.278 4.630 4.470 -0.197 0.000 0.278 342 S C 0.757 175.362 174.600 0.009 0.000 1.234 342 S CA -0.744 57.464 58.200 0.014 0.000 1.058 342 S CB 1.063 64.250 63.200 -0.023 0.000 0.983 342 S HN 0.457 nan 8.310 nan 0.000 0.495 343 V N 3.484 123.409 119.914 0.018 0.000 2.428 343 V HA -0.255 3.747 4.120 -0.197 0.000 0.255 343 V C 2.515 178.616 176.094 0.012 0.000 1.080 343 V CA 2.256 64.560 62.300 0.007 0.000 1.083 343 V CB -1.672 30.200 31.823 0.081 0.000 0.665 343 V HN 0.924 nan 8.190 nan 0.000 0.461 344 V N -1.845 118.072 119.914 0.004 0.000 2.323 344 V HA -0.134 3.869 4.120 -0.197 0.000 0.244 344 V C 2.340 178.380 176.094 -0.090 0.000 1.041 344 V CA 1.669 63.947 62.300 -0.037 0.000 1.025 344 V CB -0.915 30.878 31.823 -0.049 0.000 0.656 344 V HN 0.424 nan 8.190 nan 0.000 0.451 345 L N 0.442 121.601 121.223 -0.105 0.000 1.990 345 L HA -0.137 4.085 4.340 -0.197 0.000 0.213 345 L C 2.391 179.142 176.870 -0.198 0.000 1.072 345 L CA 1.988 56.728 54.840 -0.166 0.000 0.755 345 L CB -0.988 40.948 42.059 -0.205 0.000 0.889 345 L HN 0.293 nan 8.230 nan 0.000 0.432 346 L N -1.173 119.968 121.223 -0.138 0.000 2.021 346 L HA -0.309 3.913 4.340 -0.197 0.000 0.215 346 L C 2.606 179.340 176.870 -0.227 0.000 1.074 346 L CA 1.698 56.414 54.840 -0.207 0.000 0.760 346 L CB -0.609 41.374 42.059 -0.128 0.000 0.889 346 L HN 0.341 nan 8.230 nan 0.000 0.433 347 L N -1.045 120.091 121.223 -0.146 0.000 2.131 347 L HA -0.229 3.993 4.340 -0.197 0.000 0.210 347 L C 2.812 179.587 176.870 -0.158 0.000 1.092 347 L CA 1.139 55.908 54.840 -0.119 0.000 0.759 347 L CB -0.463 41.553 42.059 -0.072 0.000 0.903 347 L HN 0.234 nan 8.230 nan 0.000 0.435 348 R N -0.006 120.375 120.500 -0.197 0.000 2.061 348 R HA -0.119 4.103 4.340 -0.197 0.000 0.230 348 R C 2.338 178.451 176.300 -0.311 0.000 1.140 348 R CA 1.269 57.239 56.100 -0.216 0.000 0.940 348 R CB -0.402 29.772 30.300 -0.209 0.000 0.839 348 R HN 0.251 nan 8.270 nan 0.000 0.429 349 L N 0.258 121.184 121.223 -0.495 0.000 1.978 349 L HA -0.285 3.937 4.340 -0.197 0.000 0.218 349 L C 2.724 179.260 176.870 -0.557 0.000 1.075 349 L CA 1.664 55.957 54.840 -0.912 0.000 0.767 349 L CB -0.863 40.432 42.059 -1.272 0.000 0.890 349 L HN 0.309 nan 8.230 nan 0.000 0.434 350 A N 0.154 122.793 122.820 -0.303 0.000 1.903 350 A HA -0.315 3.887 4.320 -0.197 0.000 0.219 350 A C 2.313 179.826 177.584 -0.119 0.000 1.191 350 A CA 2.468 54.435 52.037 -0.115 0.000 0.638 350 A CB -0.544 18.462 19.000 0.009 0.000 0.823 350 A HN 0.310 nan 8.150 nan 0.000 0.451 351 K N -0.723 119.606 120.400 -0.118 0.000 2.148 351 K HA -0.057 4.145 4.320 -0.197 0.000 0.204 351 K C 1.970 178.525 176.600 -0.075 0.000 1.050 351 K CA 2.101 58.340 56.287 -0.081 0.000 0.942 351 K CB -0.837 31.611 32.500 -0.087 0.000 0.724 351 K HN 0.409 nan 8.250 nan 0.000 0.446 352 T N -0.033 114.464 114.554 -0.094 0.000 2.737 352 T HA -0.129 4.103 4.350 -0.197 0.000 0.265 352 T C 1.266 176.000 174.700 0.056 0.000 1.038 352 T CA 1.408 63.498 62.100 -0.015 0.000 1.144 352 T CB -0.540 68.326 68.868 -0.003 0.000 0.866 352 T HN 0.281 nan 8.240 nan 0.000 0.434 353 Y N 2.162 122.396 120.300 -0.110 0.000 2.053 353 Y HA -0.222 4.210 4.550 -0.197 0.000 0.277 353 Y C 2.535 178.288 175.900 -0.246 0.000 1.159 353 Y CA 2.091 60.067 58.100 -0.206 0.000 1.125 353 Y CB -0.606 37.471 38.460 -0.639 0.000 0.969 353 Y HN 0.344 nan 8.280 nan 0.000 0.492 354 E N -1.009 119.051 120.200 -0.233 0.000 2.086 354 E HA -0.254 3.978 4.350 -0.197 0.000 0.200 354 E C 1.962 178.427 176.600 -0.225 0.000 1.012 354 E CA 2.349 58.593 56.400 -0.260 0.000 0.812 354 E CB -0.352 29.314 29.700 -0.056 0.000 0.743 354 E HN 0.518 nan 8.360 nan 0.000 0.453 355 T N 0.039 114.519 114.554 -0.123 0.000 2.746 355 T HA -0.137 4.095 4.350 -0.197 0.000 0.267 355 T C 1.861 176.498 174.700 -0.104 0.000 1.039 355 T CA 1.740 63.793 62.100 -0.079 0.000 1.142 355 T CB -0.501 68.345 68.868 -0.038 0.000 0.866 355 T HN 0.288 nan 8.240 nan 0.000 0.444 356 T N 2.650 117.129 114.554 -0.125 0.000 2.674 356 T HA 0.017 4.249 4.350 -0.197 0.000 0.265 356 T C 2.001 176.589 174.700 -0.187 0.000 1.039 356 T CA 0.920 62.956 62.100 -0.106 0.000 1.150 356 T CB -0.507 68.326 68.868 -0.059 0.000 0.864 356 T HN 0.247 nan 8.240 nan 0.000 0.427 357 L N 0.843 121.813 121.223 -0.421 0.000 2.042 357 L HA -0.122 4.100 4.340 -0.197 0.000 0.210 357 L C 2.946 179.629 176.870 -0.312 0.000 1.076 357 L CA 1.289 55.808 54.840 -0.535 0.000 0.749 357 L CB -0.649 40.739 42.059 -1.118 0.000 0.893 357 L HN 0.214 nan 8.230 nan 0.000 0.432 358 E N 0.915 120.977 120.200 -0.229 0.000 2.085 358 E HA -0.245 3.987 4.350 -0.197 0.000 0.194 358 E C 2.105 178.703 176.600 -0.003 0.000 0.994 358 E CA 1.851 58.234 56.400 -0.028 0.000 0.801 358 E CB -0.086 29.622 29.700 0.013 0.000 0.743 358 E HN 0.635 nan 8.360 nan 0.000 0.453 359 K N -0.424 119.962 120.400 -0.023 0.000 2.137 359 K HA 0.038 4.240 4.320 -0.197 0.000 0.202 359 K C 2.449 179.056 176.600 0.010 0.000 1.052 359 K CA 1.209 57.496 56.287 -0.000 0.000 0.961 359 K CB -0.510 31.988 32.500 -0.003 0.000 0.741 359 K HN -0.026 nan 8.250 nan 0.000 0.452 360 c N 1.273 119.880 118.600 0.011 0.000 2.446 360 c HA -0.042 4.410 4.570 -0.197 0.000 0.277 360 c C 2.608 176.745 174.090 0.078 0.000 1.275 360 c CA 0.391 56.752 56.329 0.053 0.000 1.727 360 c CB -0.890 41.699 42.510 0.132 0.000 2.010 360 c HN 0.670 nan 8.230 nan 0.000 0.486 361 c N 0.956 119.599 118.600 0.072 0.000 2.485 361 c HA 0.145 4.597 4.570 -0.197 0.000 0.283 361 c C 2.375 176.507 174.090 0.071 0.000 1.478 361 c CA 0.890 57.275 56.329 0.093 0.000 1.741 361 c CB -1.948 40.625 42.510 0.105 0.000 1.675 361 c HN 0.706 nan 8.230 nan 0.000 0.573 362 A N -0.383 122.467 122.820 0.051 0.000 2.430 362 A HA 0.663 4.865 4.320 -0.197 0.000 0.243 362 A C 1.045 178.645 177.584 0.027 0.000 1.254 362 A CA 0.534 52.594 52.037 0.038 0.000 0.914 362 A CB -0.102 18.918 19.000 0.033 0.000 0.998 362 A HN 0.452 nan 8.150 nan 0.000 0.515 363 A N -0.951 121.885 122.820 0.026 0.000 2.240 363 A HA 0.711 4.913 4.320 -0.197 0.000 0.292 363 A C 1.554 179.145 177.584 0.011 0.000 1.121 363 A CA 0.226 52.270 52.037 0.013 0.000 0.851 363 A CB 0.058 19.060 19.000 0.002 0.000 1.167 363 A HN 0.944 nan 8.150 nan 0.000 0.503 364 A N -0.729 122.092 122.820 0.003 0.000 1.854 364 A HA 0.073 4.275 4.320 -0.197 0.000 0.214 364 A C 0.811 178.395 177.584 -0.001 0.000 1.192 364 A CA 2.030 54.068 52.037 0.002 0.000 0.611 364 A CB -0.318 18.681 19.000 -0.002 0.000 0.832 364 A HN 0.732 nan 8.150 nan 0.000 0.442 365 D N -1.597 118.797 120.400 -0.010 0.000 2.458 365 D HA 0.411 4.933 4.640 -0.197 0.000 0.258 365 D C -2.047 174.222 176.300 -0.053 0.000 1.134 365 D CA -2.188 51.802 54.000 -0.017 0.000 0.915 365 D CB 1.048 41.840 40.800 -0.013 0.000 1.028 365 D HN -0.038 nan 8.370 nan 0.000 0.508 366 P HA -0.240 nan 4.420 nan 0.000 0.216 366 P C 1.363 178.354 177.300 -0.516 0.000 1.157 366 P CA 1.137 64.189 63.100 -0.079 0.000 0.880 366 P CB -0.032 31.735 31.700 0.112 0.000 0.791 367 H N 0.587 119.313 119.070 -0.573 0.000 2.319 367 H HA -0.179 4.259 4.556 -0.196 0.000 0.297 367 H C 1.702 176.632 175.328 -0.663 0.000 1.097 367 H CA 2.081 57.618 56.048 -0.852 0.000 1.285 367 H CB -0.483 29.076 29.762 -0.338 0.000 1.368 367 H HN 0.184 nan 8.280 nan 0.000 0.495 368 E N -0.256 119.776 120.200 -0.280 0.000 2.085 368 E HA -0.168 4.064 4.350 -0.197 0.000 0.194 368 E C 2.690 179.117 176.600 -0.289 0.000 0.994 368 E CA 1.154 57.425 56.400 -0.216 0.000 0.801 368 E CB -0.249 29.432 29.700 -0.032 0.000 0.743 368 E HN 0.435 nan 8.360 nan 0.000 0.453 369 c N 1.034 119.478 118.600 -0.261 0.000 2.436 369 c HA -0.170 4.282 4.570 -0.197 0.000 0.277 369 c C 2.491 176.517 174.090 -0.107 0.000 1.241 369 c CA 1.268 57.508 56.329 -0.150 0.000 1.721 369 c CB -0.994 41.465 42.510 -0.086 0.000 2.043 369 c HN 0.603 nan 8.230 nan 0.000 0.472 370 Y N 0.934 121.170 120.300 -0.107 0.000 2.470 370 Y HA 0.612 5.045 4.550 -0.196 0.000 0.302 370 Y C 1.644 177.470 175.900 -0.123 0.000 1.194 370 Y CA -0.151 57.894 58.100 -0.092 0.000 1.271 370 Y CB -1.502 36.907 38.460 -0.084 0.000 1.092 370 Y HN 0.237 nan 8.280 nan 0.000 0.513 371 A N 1.486 124.193 122.820 -0.189 0.000 1.930 371 A HA -0.067 4.135 4.320 -0.197 0.000 0.217 371 A C 1.746 179.277 177.584 -0.089 0.000 1.175 371 A CA 1.064 52.960 52.037 -0.234 0.000 0.627 371 A CB -0.254 18.510 19.000 -0.393 0.000 0.815 371 A HN 0.460 nan 8.150 nan 0.000 0.443 372 K N -0.201 120.175 120.400 -0.040 0.000 2.681 372 K HA 0.284 4.486 4.320 -0.197 0.000 0.211 372 K C 0.847 177.474 176.600 0.045 0.000 1.075 372 K CA -0.072 56.211 56.287 -0.007 0.000 1.141 372 K CB 0.704 33.201 32.500 -0.006 0.000 0.896 372 K HN 0.187 nan 8.250 nan 0.000 0.470 373 V N 0.364 120.332 119.914 0.090 0.000 2.594 373 V HA -0.208 3.795 4.120 -0.197 0.000 0.253 373 V C 1.197 177.255 176.094 -0.060 0.000 1.069 373 V CA 1.726 64.088 62.300 0.104 0.000 1.082 373 V CB -0.355 31.600 31.823 0.219 0.000 0.680 373 V HN 0.325 nan 8.190 nan 0.000 0.469 374 F N 0.821 120.525 119.950 -0.409 0.000 2.699 374 F HA 0.043 4.453 4.527 -0.194 0.000 0.298 374 F C 1.873 177.553 175.800 -0.201 0.000 1.154 374 F CA 1.123 58.792 58.000 -0.551 0.000 1.457 374 F CB -0.846 37.992 39.000 -0.269 0.000 1.106 374 F HN 0.369 nan 8.300 nan 0.000 0.585 375 D N -0.720 119.729 120.400 0.082 0.000 2.271 375 D HA -0.078 4.444 4.640 -0.197 0.000 0.206 375 D C 2.103 178.473 176.300 0.116 0.000 0.967 375 D CA 0.542 54.599 54.000 0.095 0.000 0.867 375 D CB 0.017 40.858 40.800 0.069 0.000 0.960 375 D HN 0.072 nan 8.370 nan 0.000 0.509 376 E N 0.134 120.411 120.200 0.130 0.000 2.110 376 E HA -0.133 4.099 4.350 -0.197 0.000 0.193 376 E C 1.613 178.407 176.600 0.323 0.000 0.988 376 E CA 0.684 57.205 56.400 0.200 0.000 0.804 376 E CB -0.134 29.708 29.700 0.238 0.000 0.745 376 E HN 0.344 nan 8.360 nan 0.000 0.458 377 F N 1.527 121.489 119.950 0.019 0.000 2.186 377 F HA -0.075 4.336 4.527 -0.193 0.000 0.299 377 F C 2.353 178.146 175.800 -0.012 0.000 1.090 377 F CA 0.506 58.487 58.000 -0.031 0.000 1.307 377 F CB -0.820 38.133 39.000 -0.078 0.000 1.019 377 F HN -0.013 nan 8.300 nan 0.000 0.489 378 K N 0.217 120.753 120.400 0.225 0.000 2.034 378 K HA -0.225 3.977 4.320 -0.197 0.000 0.214 378 K C -0.558 176.086 176.600 0.073 0.000 1.051 378 K CA 2.095 58.461 56.287 0.132 0.000 0.931 378 K CB -1.212 31.354 32.500 0.108 0.000 0.715 378 K HN 0.139 nan 8.250 nan 0.000 0.446 379 P HA -0.158 nan 4.420 nan 0.000 0.214 379 P C 1.274 178.570 177.300 -0.007 0.000 1.163 379 P CA 1.284 64.400 63.100 0.026 0.000 0.883 379 P CB -0.021 31.698 31.700 0.031 0.000 0.788 380 L N -1.113 120.099 121.223 -0.018 0.000 2.043 380 L HA -0.169 4.053 4.340 -0.197 0.000 0.212 380 L C 2.339 179.140 176.870 -0.115 0.000 1.075 380 L CA 1.496 56.288 54.840 -0.080 0.000 0.752 380 L CB -1.410 40.569 42.059 -0.135 0.000 0.891 380 L HN -0.119 nan 8.230 nan 0.000 0.432 381 V N -0.245 119.605 119.914 -0.106 0.000 2.515 381 V HA -0.228 3.774 4.120 -0.197 0.000 0.250 381 V C 2.367 178.381 176.094 -0.133 0.000 1.058 381 V CA 1.638 63.834 62.300 -0.173 0.000 1.064 381 V CB -0.453 31.295 31.823 -0.126 0.000 0.675 381 V HN 0.456 nan 8.190 nan 0.000 0.461 382 E N -0.352 119.808 120.200 -0.067 0.000 2.076 382 E HA -0.184 4.048 4.350 -0.197 0.000 0.190 382 E C 2.238 178.809 176.600 -0.049 0.000 0.979 382 E CA 0.848 57.220 56.400 -0.047 0.000 0.807 382 E CB -0.069 29.622 29.700 -0.015 0.000 0.761 382 E HN 0.655 nan 8.360 nan 0.000 0.454 383 E N 0.965 121.136 120.200 -0.049 0.000 2.013 383 E HA -0.191 4.041 4.350 -0.197 0.000 0.202 383 E C -0.724 175.848 176.600 -0.048 0.000 1.018 383 E CA 1.613 57.988 56.400 -0.041 0.000 0.834 383 E CB -0.828 28.848 29.700 -0.042 0.000 0.770 383 E HN 0.045 nan 8.360 nan 0.000 0.459 384 P HA -0.203 nan 4.420 nan 0.000 0.217 384 P C 1.297 178.560 177.300 -0.062 0.000 1.158 384 P CA 2.055 65.114 63.100 -0.069 0.000 0.887 384 P CB -0.140 31.497 31.700 -0.105 0.000 0.792 385 Q N -1.229 118.525 119.800 -0.076 0.000 2.045 385 Q HA -0.214 4.008 4.340 -0.197 0.000 0.206 385 Q C 2.052 178.032 176.000 -0.033 0.000 0.991 385 Q CA 1.460 57.227 55.803 -0.060 0.000 0.851 385 Q CB -0.585 28.115 28.738 -0.063 0.000 0.911 385 Q HN 0.334 nan 8.270 nan 0.000 0.418 386 N N 0.669 119.354 118.700 -0.025 0.000 2.013 386 N HA -0.172 4.450 4.740 -0.197 0.000 0.195 386 N C 1.846 177.355 175.510 -0.002 0.000 1.051 386 N CA 0.901 53.945 53.050 -0.010 0.000 0.851 386 N CB -0.610 37.873 38.487 -0.007 0.000 1.044 386 N HN 0.081 nan 8.380 nan 0.000 0.422 387 L N 1.628 122.850 121.223 -0.001 0.000 2.011 387 L HA -0.239 3.983 4.340 -0.197 0.000 0.225 387 L C 2.119 179.001 176.870 0.021 0.000 1.084 387 L CA 1.610 56.458 54.840 0.015 0.000 0.791 387 L CB -0.633 41.433 42.059 0.013 0.000 0.898 387 L HN 0.177 nan 8.230 nan 0.000 0.440 388 I N -0.866 119.705 120.570 0.001 0.000 2.142 388 I HA -0.331 3.721 4.170 -0.197 0.000 0.240 388 I C 2.706 178.818 176.117 -0.009 0.000 1.078 388 I CA 1.671 62.965 61.300 -0.010 0.000 1.343 388 I CB -1.592 36.387 38.000 -0.036 0.000 1.046 388 I HN 0.291 nan 8.210 nan 0.000 0.405 389 K N 0.732 121.127 120.400 -0.009 0.000 2.077 389 K HA -0.259 3.943 4.320 -0.197 0.000 0.213 389 K C 1.970 178.576 176.600 0.009 0.000 1.051 389 K CA 1.991 58.276 56.287 -0.003 0.000 0.929 389 K CB -0.552 31.947 32.500 -0.001 0.000 0.715 389 K HN 0.590 nan 8.250 nan 0.000 0.451 390 Q N -0.161 119.651 119.800 0.021 0.000 1.809 390 Q HA -0.034 4.188 4.340 -0.197 0.000 0.269 390 Q C 2.240 178.273 176.000 0.055 0.000 0.984 390 Q CA 1.549 57.375 55.803 0.039 0.000 0.885 390 Q CB -0.481 28.285 28.738 0.048 0.000 0.933 390 Q HN 0.509 nan 8.270 nan 0.000 0.422 391 N N 0.343 119.098 118.700 0.092 0.000 2.251 391 N HA -0.224 4.398 4.740 -0.197 0.000 0.196 391 N C 1.697 177.208 175.510 0.001 0.000 0.993 391 N CA 1.365 54.507 53.050 0.154 0.000 0.896 391 N CB -0.357 38.268 38.487 0.231 0.000 0.994 391 N HN 0.327 nan 8.380 nan 0.000 0.452 392 c N 0.258 118.841 118.600 -0.030 0.000 2.514 392 c HA 0.052 4.504 4.570 -0.197 0.000 0.271 392 c C 2.487 176.584 174.090 0.011 0.000 1.399 392 c CA -0.233 56.060 56.329 -0.060 0.000 1.765 392 c CB -0.699 41.768 42.510 -0.070 0.000 1.893 392 c HN 0.472 nan 8.230 nan 0.000 0.531 393 E N 0.159 120.369 120.200 0.016 0.000 2.299 393 E HA -0.092 4.140 4.350 -0.197 0.000 0.193 393 E C 1.891 178.504 176.600 0.022 0.000 0.998 393 E CA 0.462 56.874 56.400 0.020 0.000 0.851 393 E CB 0.087 29.802 29.700 0.024 0.000 0.795 393 E HN 0.504 nan 8.360 nan 0.000 0.492 394 L N -0.058 121.191 121.223 0.044 0.000 2.307 394 L HA 0.073 4.295 4.340 -0.197 0.000 0.211 394 L C 1.690 178.570 176.870 0.017 0.000 1.099 394 L CA 0.911 55.802 54.840 0.085 0.000 0.816 394 L CB -0.342 41.849 42.059 0.220 0.000 0.952 394 L HN 0.129 nan 8.230 nan 0.000 0.455 395 F N 0.974 120.722 119.950 -0.337 0.000 2.039 395 F HA -0.173 4.240 4.527 -0.191 0.000 0.294 395 F C 2.255 177.931 175.800 -0.207 0.000 1.130 395 F CA 1.969 59.658 58.000 -0.518 0.000 1.189 395 F CB -0.494 38.075 39.000 -0.719 0.000 0.983 395 F HN 0.139 nan 8.300 nan 0.000 0.471 396 E N -0.322 119.755 120.200 -0.206 0.000 2.301 396 E HA -0.336 3.896 4.350 -0.197 0.000 0.202 396 E C 2.064 178.529 176.600 -0.226 0.000 1.017 396 E CA 1.593 57.853 56.400 -0.234 0.000 0.831 396 E CB -0.228 29.441 29.700 -0.050 0.000 0.742 396 E HN 0.651 nan 8.360 nan 0.000 0.491 397 Q N -0.020 119.683 119.800 -0.162 0.000 2.263 397 Q HA 0.012 4.234 4.340 -0.197 0.000 0.196 397 Q C 2.187 178.132 176.000 -0.091 0.000 0.965 397 Q CA 0.137 55.884 55.803 -0.093 0.000 0.851 397 Q CB 0.207 28.928 28.738 -0.028 0.000 0.948 397 Q HN 0.230 nan 8.270 nan 0.000 0.516 398 L N 0.301 121.491 121.223 -0.055 0.000 2.217 398 L HA 0.111 4.333 4.340 -0.197 0.000 0.211 398 L C 1.035 177.877 176.870 -0.047 0.000 1.107 398 L CA 0.684 55.523 54.840 -0.002 0.000 0.783 398 L CB -0.447 41.679 42.059 0.112 0.000 0.919 398 L HN 0.510 nan 8.230 nan 0.000 0.442 399 G N 0.101 108.771 108.800 -0.217 0.000 2.707 399 G HA2 -0.254 3.588 3.960 -0.197 0.000 0.686 399 G HA3 -0.254 3.588 3.960 -0.197 0.000 0.686 399 G C 0.252 175.116 174.900 -0.060 0.000 1.315 399 G CA 0.045 44.999 45.100 -0.243 0.000 0.832 399 G HN 0.254 nan 8.290 nan 0.000 0.573 400 E N -0.692 119.543 120.200 0.058 0.000 2.031 400 E HA -0.200 4.032 4.350 -0.197 0.000 0.193 400 E C 2.026 178.831 176.600 0.343 0.000 0.994 400 E CA 2.069 58.670 56.400 0.335 0.000 0.800 400 E CB -0.204 29.690 29.700 0.323 0.000 0.752 400 E HN 0.709 nan 8.360 nan 0.000 0.447 401 Y N 1.417 121.794 120.300 0.128 0.000 2.070 401 Y HA -0.243 4.188 4.550 -0.199 0.000 0.279 401 Y C 2.545 178.499 175.900 0.090 0.000 1.134 401 Y CA 2.282 60.437 58.100 0.091 0.000 1.113 401 Y CB -0.723 37.769 38.460 0.054 0.000 0.981 401 Y HN -0.142 nan 8.280 nan 0.000 0.487 402 K N -0.062 120.341 120.400 0.006 0.000 2.113 402 K HA -0.219 3.983 4.320 -0.197 0.000 0.208 402 K C 1.992 178.565 176.600 -0.045 0.000 1.047 402 K CA 1.467 57.676 56.287 -0.129 0.000 0.928 402 K CB -1.446 31.060 32.500 0.010 0.000 0.716 402 K HN 0.564 nan 8.250 nan 0.000 0.446 403 F N 2.035 121.975 119.950 -0.017 0.000 2.171 403 F HA -0.173 4.233 4.527 -0.201 0.000 0.300 403 F C 2.281 178.087 175.800 0.010 0.000 1.090 403 F CA 1.593 59.616 58.000 0.038 0.000 1.293 403 F CB -0.219 38.880 39.000 0.164 0.000 1.013 403 F HN 0.212 nan 8.300 nan 0.000 0.486 404 Q N -0.313 119.452 119.800 -0.059 0.000 2.123 404 Q HA -0.174 4.048 4.340 -0.197 0.000 0.199 404 Q C 1.922 177.786 176.000 -0.227 0.000 0.966 404 Q CA 1.310 57.029 55.803 -0.141 0.000 0.845 404 Q CB -0.360 28.376 28.738 -0.003 0.000 0.907 404 Q HN 0.376 nan 8.270 nan 0.000 0.439 405 N N 1.205 119.743 118.700 -0.269 0.000 2.043 405 N HA -0.168 4.454 4.740 -0.197 0.000 0.193 405 N C 1.773 177.158 175.510 -0.207 0.000 1.037 405 N CA 1.553 54.440 53.050 -0.270 0.000 0.851 405 N CB -0.578 37.688 38.487 -0.367 0.000 1.027 405 N HN 0.258 nan 8.380 nan 0.000 0.422 406 A N 1.445 124.133 122.820 -0.220 0.000 1.873 406 A HA -0.140 4.062 4.320 -0.197 0.000 0.218 406 A C 2.411 179.875 177.584 -0.200 0.000 1.193 406 A CA 1.344 53.266 52.037 -0.191 0.000 0.629 406 A CB -1.033 17.842 19.000 -0.208 0.000 0.826 406 A HN 0.280 nan 8.150 nan 0.000 0.447 407 L N -0.897 120.140 121.223 -0.309 0.000 2.191 407 L HA -0.170 4.052 4.340 -0.197 0.000 0.212 407 L C 2.578 179.402 176.870 -0.077 0.000 1.103 407 L CA 0.756 55.473 54.840 -0.205 0.000 0.769 407 L CB -0.408 41.455 42.059 -0.326 0.000 0.908 407 L HN 0.417 nan 8.230 nan 0.000 0.438 408 L N -1.098 120.053 121.223 -0.120 0.000 2.005 408 L HA -0.214 4.008 4.340 -0.197 0.000 0.207 408 L C 2.511 179.359 176.870 -0.036 0.000 1.072 408 L CA 1.056 55.849 54.840 -0.079 0.000 0.744 408 L CB -0.249 41.747 42.059 -0.106 0.000 0.895 408 L HN 0.021 nan 8.230 nan 0.000 0.433 409 V N -0.314 119.568 119.914 -0.053 0.000 2.233 409 V HA -0.364 3.638 4.120 -0.197 0.000 0.247 409 V C 2.618 178.699 176.094 -0.022 0.000 1.050 409 V CA 2.016 64.296 62.300 -0.034 0.000 1.010 409 V CB -0.656 31.145 31.823 -0.038 0.000 0.637 409 V HN 0.437 nan 8.190 nan 0.000 0.444 410 R N -1.477 119.009 120.500 -0.023 0.000 2.096 410 R HA -0.222 4.000 4.340 -0.197 0.000 0.240 410 R C 2.319 178.580 176.300 -0.064 0.000 1.139 410 R CA 2.294 58.372 56.100 -0.037 0.000 0.952 410 R CB -0.370 29.917 30.300 -0.022 0.000 0.854 410 R HN 0.563 nan 8.270 nan 0.000 0.436 411 Y N -0.135 120.101 120.300 -0.106 0.000 2.314 411 Y HA -0.102 4.334 4.550 -0.190 0.000 0.293 411 Y C 2.497 178.338 175.900 -0.099 0.000 1.129 411 Y CA 1.533 59.568 58.100 -0.109 0.000 1.201 411 Y CB -0.095 38.275 38.460 -0.149 0.000 0.999 411 Y HN 0.098 nan 8.280 nan 0.000 0.541 412 T N -0.262 114.305 114.554 0.022 0.000 2.746 412 T HA -0.170 4.062 4.350 -0.197 0.000 0.267 412 T C 1.818 176.460 174.700 -0.095 0.000 1.039 412 T CA 1.403 63.479 62.100 -0.040 0.000 1.142 412 T CB -0.125 68.724 68.868 -0.032 0.000 0.866 412 T HN 0.269 nan 8.240 nan 0.000 0.444 413 K N 0.953 121.307 120.400 -0.076 0.000 2.147 413 K HA -0.042 4.160 4.320 -0.197 0.000 0.205 413 K C 2.334 178.870 176.600 -0.106 0.000 1.049 413 K CA 0.996 57.235 56.287 -0.079 0.000 0.936 413 K CB -0.043 32.425 32.500 -0.053 0.000 0.722 413 K HN 0.340 nan 8.250 nan 0.000 0.446 414 K N 0.478 120.797 120.400 -0.134 0.000 2.076 414 K HA -0.035 4.167 4.320 -0.197 0.000 0.204 414 K C 0.884 177.425 176.600 -0.099 0.000 1.051 414 K CA 1.042 57.247 56.287 -0.137 0.000 0.949 414 K CB 0.392 32.753 32.500 -0.233 0.000 0.726 414 K HN 0.024 nan 8.250 nan 0.000 0.443 415 V N -1.743 118.113 119.914 -0.097 0.000 2.462 415 V HA 0.232 4.234 4.120 -0.197 0.000 0.257 415 V C -2.697 173.314 176.094 -0.139 0.000 0.944 415 V CA -1.604 60.652 62.300 -0.074 0.000 0.903 415 V CB 1.172 33.005 31.823 0.017 0.000 1.128 415 V HN -0.113 nan 8.190 nan 0.000 0.486 416 P HA -0.142 nan 4.420 nan 0.000 0.217 416 P C 1.468 178.553 177.300 -0.358 0.000 1.148 416 P CA 1.575 64.340 63.100 -0.558 0.000 0.828 416 P CB 0.283 31.093 31.700 -1.483 0.000 0.783 417 Q N -0.685 118.994 119.800 -0.202 0.000 2.084 417 Q HA -0.055 4.167 4.340 -0.197 0.000 0.202 417 Q C 0.639 176.644 176.000 0.008 0.000 0.978 417 Q CA 0.606 56.395 55.803 -0.023 0.000 0.844 417 Q CB -1.551 27.215 28.738 0.047 0.000 0.898 417 Q HN 0.081 nan 8.270 nan 0.000 0.426 418 V N 2.732 122.659 119.914 0.021 0.000 2.681 418 V HA -0.102 3.900 4.120 -0.197 0.000 0.306 418 V C 0.463 176.562 176.094 0.008 0.000 1.077 418 V CA 0.237 62.567 62.300 0.050 0.000 1.224 418 V CB -0.168 31.691 31.823 0.059 0.000 0.879 418 V HN 0.417 nan 8.190 nan 0.000 0.494 419 S N 3.236 118.939 115.700 0.006 0.000 2.546 419 S HA -0.024 4.328 4.470 -0.197 0.000 0.290 419 S C 1.361 175.945 174.600 -0.027 0.000 1.290 419 S CA 0.110 58.302 58.200 -0.014 0.000 1.069 419 S CB 0.650 63.837 63.200 -0.022 0.000 0.846 419 S HN 0.825 nan 8.310 nan 0.000 0.495 420 T N 4.892 119.425 114.554 -0.035 0.000 2.649 420 T HA -0.125 4.107 4.350 -0.197 0.000 0.268 420 T C -0.825 173.841 174.700 -0.057 0.000 1.036 420 T CA 2.184 64.253 62.100 -0.051 0.000 1.157 420 T CB -1.699 67.129 68.868 -0.067 0.000 0.861 420 T HN 0.603 nan 8.240 nan 0.000 0.445 421 P HA -0.058 nan 4.420 nan 0.000 0.214 421 P C 1.753 179.021 177.300 -0.054 0.000 1.163 421 P CA 1.311 64.379 63.100 -0.053 0.000 0.883 421 P CB -0.311 31.360 31.700 -0.048 0.000 0.788 422 T N -0.013 114.512 114.554 -0.048 0.000 2.684 422 T HA -0.151 4.081 4.350 -0.197 0.000 0.267 422 T C 1.784 176.442 174.700 -0.071 0.000 1.036 422 T CA 1.255 63.324 62.100 -0.052 0.000 1.148 422 T CB -1.076 67.774 68.868 -0.030 0.000 0.863 422 T HN 0.025 nan 8.240 nan 0.000 0.436 423 L N 0.623 121.808 121.223 -0.064 0.000 2.012 423 L HA -0.116 4.106 4.340 -0.197 0.000 0.210 423 L C 2.721 179.531 176.870 -0.099 0.000 1.073 423 L CA 1.025 55.816 54.840 -0.081 0.000 0.748 423 L CB -0.827 41.200 42.059 -0.053 0.000 0.891 423 L HN 0.139 nan 8.230 nan 0.000 0.431 424 V N -0.045 119.821 119.914 -0.080 0.000 2.287 424 V HA -0.319 3.683 4.120 -0.197 0.000 0.248 424 V C 2.512 178.558 176.094 -0.079 0.000 1.053 424 V CA 2.148 64.402 62.300 -0.076 0.000 1.027 424 V CB -0.513 31.272 31.823 -0.064 0.000 0.646 424 V HN 0.484 nan 8.190 nan 0.000 0.447 425 E N 0.563 120.716 120.200 -0.077 0.000 2.001 425 E HA -0.190 4.042 4.350 -0.197 0.000 0.195 425 E C 2.096 178.633 176.600 -0.105 0.000 1.002 425 E CA 2.059 58.414 56.400 -0.075 0.000 0.819 425 E CB -0.687 28.972 29.700 -0.069 0.000 0.769 425 E HN 0.228 nan 8.360 nan 0.000 0.454 426 V N 0.603 120.432 119.914 -0.142 0.000 2.370 426 V HA -0.319 3.683 4.120 -0.197 0.000 0.252 426 V C 2.410 178.353 176.094 -0.252 0.000 1.068 426 V CA 2.217 64.391 62.300 -0.210 0.000 1.061 426 V CB -0.651 31.013 31.823 -0.264 0.000 0.656 426 V HN 0.285 nan 8.190 nan 0.000 0.455 427 S N -1.183 114.376 115.700 -0.235 0.000 2.436 427 S HA -0.059 4.293 4.470 -0.197 0.000 0.228 427 S C 2.009 176.525 174.600 -0.141 0.000 1.014 427 S CA 0.787 58.843 58.200 -0.242 0.000 0.950 427 S CB -0.174 62.900 63.200 -0.209 0.000 0.784 427 S HN 0.570 nan 8.310 nan 0.000 0.504 428 R N 1.743 122.191 120.500 -0.086 0.000 2.066 428 R HA 0.022 4.244 4.340 -0.197 0.000 0.232 428 R C 1.865 178.165 176.300 -0.000 0.000 1.131 428 R CA 1.293 57.381 56.100 -0.020 0.000 0.955 428 R CB -0.487 29.812 30.300 -0.002 0.000 0.851 428 R HN 0.349 nan 8.270 nan 0.000 0.432 429 N N 1.364 120.048 118.700 -0.027 0.000 2.043 429 N HA -0.152 4.470 4.740 -0.197 0.000 0.193 429 N C 2.019 177.543 175.510 0.023 0.000 1.037 429 N CA 1.168 54.221 53.050 0.005 0.000 0.851 429 N CB -0.500 37.956 38.487 -0.052 0.000 1.027 429 N HN 0.163 nan 8.380 nan 0.000 0.422 430 L N 0.379 121.559 121.223 -0.072 0.000 2.137 430 L HA -0.177 4.045 4.340 -0.197 0.000 0.213 430 L C 2.251 179.153 176.870 0.054 0.000 1.085 430 L CA 1.518 56.317 54.840 -0.069 0.000 0.760 430 L CB -0.797 41.122 42.059 -0.232 0.000 0.893 430 L HN 0.282 nan 8.230 nan 0.000 0.434 431 G N -0.962 107.882 108.800 0.073 0.000 2.551 431 G HA2 -0.118 3.724 3.960 -0.197 0.000 0.216 431 G HA3 -0.118 3.724 3.960 -0.197 0.000 0.216 431 G C 1.656 176.667 174.900 0.186 0.000 1.137 431 G CA -0.039 45.208 45.100 0.244 0.000 0.798 431 G HN 0.255 nan 8.290 nan 0.000 0.536 432 K N 0.454 120.914 120.400 0.100 0.000 2.057 432 K HA -0.010 4.192 4.320 -0.197 0.000 0.206 432 K C 2.514 179.048 176.600 -0.110 0.000 1.050 432 K CA 0.851 57.154 56.287 0.026 0.000 0.935 432 K CB -0.420 32.120 32.500 0.067 0.000 0.715 432 K HN 0.193 nan 8.250 nan 0.000 0.439 433 V N 1.466 121.363 119.914 -0.029 0.000 2.313 433 V HA -0.288 3.714 4.120 -0.197 0.000 0.253 433 V C 2.461 178.357 176.094 -0.330 0.000 1.070 433 V CA 2.268 64.477 62.300 -0.152 0.000 1.057 433 V CB -1.285 30.591 31.823 0.088 0.000 0.653 433 V HN 0.514 nan 8.190 nan 0.000 0.450 434 G N -0.813 107.774 108.800 -0.354 0.000 2.418 434 G HA2 -0.234 3.608 3.960 -0.197 0.000 0.217 434 G HA3 -0.234 3.608 3.960 -0.197 0.000 0.217 434 G C 1.777 175.834 174.900 -1.405 0.000 1.158 434 G CA 1.171 45.745 45.100 -0.876 0.000 0.771 434 G HN 0.560 nan 8.290 nan 0.000 0.545 435 S N -0.320 114.818 115.700 -0.937 0.000 2.406 435 S HA -0.039 4.313 4.470 -0.197 0.000 0.228 435 S C 2.275 176.645 174.600 -0.382 0.000 1.020 435 S CA 1.244 59.100 58.200 -0.573 0.000 0.965 435 S CB 0.031 63.175 63.200 -0.093 0.000 0.798 435 S HN 0.353 nan 8.310 nan 0.000 0.488 436 K N 0.513 120.668 120.400 -0.408 0.000 2.076 436 K HA 0.026 4.228 4.320 -0.197 0.000 0.204 436 K C 2.043 178.344 176.600 -0.497 0.000 1.051 436 K CA 1.303 57.358 56.287 -0.386 0.000 0.949 436 K CB -0.811 31.385 32.500 -0.507 0.000 0.726 436 K HN 0.649 nan 8.250 nan 0.000 0.443 437 c N -0.933 117.332 118.600 -0.558 0.000 2.611 437 c HA 0.261 4.713 4.570 -0.197 0.000 0.282 437 c C 2.672 176.450 174.090 -0.520 0.000 1.321 437 c CA -0.144 55.801 56.329 -0.640 0.000 1.747 437 c CB -0.847 41.403 42.510 -0.434 0.000 2.124 437 c HN 0.692 nan 8.230 nan 0.000 0.531 438 c N 1.552 119.887 118.600 -0.442 0.000 2.437 438 c HA 0.011 4.463 4.570 -0.197 0.000 0.283 438 c C 3.008 177.045 174.090 -0.089 0.000 1.424 438 c CA 1.574 57.746 56.329 -0.262 0.000 1.782 438 c CB -1.536 40.790 42.510 -0.306 0.000 1.833 438 c HN 0.753 nan 8.230 nan 0.000 0.532 439 K N 0.090 120.449 120.400 -0.068 0.000 2.217 439 K HA -0.043 4.159 4.320 -0.197 0.000 0.202 439 K C 0.745 177.451 176.600 0.178 0.000 1.051 439 K CA 1.029 57.366 56.287 0.083 0.000 0.952 439 K CB -0.666 31.901 32.500 0.113 0.000 0.736 439 K HN 0.671 nan 8.250 nan 0.000 0.453 440 H N 0.427 119.471 119.070 -0.043 0.000 2.801 440 H HA 0.221 4.659 4.556 -0.197 0.000 0.377 440 H C -2.065 173.249 175.328 -0.023 0.000 1.304 440 H CA -1.715 54.312 56.048 -0.034 0.000 1.451 440 H CB 0.102 29.837 29.762 -0.045 0.000 1.474 440 H HN 0.249 nan 8.280 nan 0.000 0.620 441 P HA 0.043 nan 4.420 nan 0.000 0.277 441 P C 0.398 177.727 177.300 0.049 0.000 1.240 441 P CA -0.340 62.792 63.100 0.053 0.000 0.798 441 P CB 1.184 32.898 31.700 0.024 0.000 0.979 442 E N 2.180 122.398 120.200 0.030 0.000 2.217 442 E HA -0.304 3.928 4.350 -0.197 0.000 0.219 442 E C 2.037 178.649 176.600 0.020 0.000 1.070 442 E CA 2.983 59.394 56.400 0.019 0.000 0.889 442 E CB -0.984 28.725 29.700 0.015 0.000 0.768 442 E HN 0.576 nan 8.360 nan 0.000 0.465 443 A N 0.418 123.255 122.820 0.027 0.000 1.851 443 A HA -0.231 3.971 4.320 -0.197 0.000 0.216 443 A C 1.838 179.445 177.584 0.039 0.000 1.195 443 A CA 2.061 54.117 52.037 0.032 0.000 0.622 443 A CB -0.423 18.597 19.000 0.033 0.000 0.831 443 A HN 0.206 nan 8.150 nan 0.000 0.444 444 K N -0.521 119.913 120.400 0.057 0.000 2.525 444 K HA 0.053 4.255 4.320 -0.197 0.000 0.192 444 K C 1.903 178.561 176.600 0.096 0.000 1.029 444 K CA 0.194 56.536 56.287 0.092 0.000 1.029 444 K CB 0.020 32.588 32.500 0.113 0.000 0.814 444 K HN 0.379 nan 8.250 nan 0.000 0.503 445 R N 0.869 121.391 120.500 0.037 0.000 2.055 445 R HA -0.009 4.213 4.340 -0.197 0.000 0.228 445 R C 2.372 178.640 176.300 -0.054 0.000 1.143 445 R CA 1.354 57.435 56.100 -0.031 0.000 0.945 445 R CB -0.198 30.081 30.300 -0.035 0.000 0.841 445 R HN 0.198 nan 8.270 nan 0.000 0.429 446 M N 0.953 120.527 119.600 -0.044 0.000 2.108 446 M HA -0.101 4.261 4.480 -0.197 0.000 0.261 446 M C -1.106 175.162 176.300 -0.054 0.000 1.066 446 M CA 1.790 57.054 55.300 -0.061 0.000 1.107 446 M CB -0.789 31.759 32.600 -0.088 0.000 1.356 446 M HN -0.062 nan 8.290 nan 0.000 0.406 447 P HA -0.174 nan 4.420 nan 0.000 0.205 447 P C 1.727 179.022 177.300 -0.009 0.000 1.193 447 P CA 1.601 64.695 63.100 -0.011 0.000 0.929 447 P CB -0.545 31.169 31.700 0.024 0.000 0.772 448 c N -0.085 118.509 118.600 -0.009 0.000 2.260 448 c HA -0.358 4.094 4.570 -0.197 0.000 0.258 448 c C 2.831 176.899 174.090 -0.037 0.000 1.091 448 c CA 2.922 59.224 56.329 -0.044 0.000 1.816 448 c CB -1.720 40.697 42.510 -0.155 0.000 1.941 448 c HN 0.350 nan 8.230 nan 0.000 0.412 449 A N -0.417 122.358 122.820 -0.076 0.000 1.873 449 A HA -0.269 3.933 4.320 -0.197 0.000 0.218 449 A C 2.048 179.641 177.584 0.015 0.000 1.193 449 A CA 2.409 54.422 52.037 -0.040 0.000 0.629 449 A CB -1.065 17.891 19.000 -0.073 0.000 0.826 449 A HN 0.883 nan 8.150 nan 0.000 0.447 450 E N -0.700 119.496 120.200 -0.007 0.000 2.347 450 E HA -0.145 4.087 4.350 -0.197 0.000 0.196 450 E C 1.077 177.680 176.600 0.004 0.000 1.008 450 E CA 1.135 57.531 56.400 -0.007 0.000 0.852 450 E CB -0.008 29.671 29.700 -0.036 0.000 0.783 450 E HN 0.565 nan 8.360 nan 0.000 0.505 451 D N -0.767 119.650 120.400 0.028 0.000 2.216 451 D HA -0.103 4.419 4.640 -0.197 0.000 0.208 451 D C 1.316 177.643 176.300 0.046 0.000 0.960 451 D CA 0.520 54.540 54.000 0.034 0.000 0.861 451 D CB -0.216 40.619 40.800 0.058 0.000 0.985 451 D HN 0.221 nan 8.370 nan 0.000 0.493 452 Y N 1.996 122.260 120.300 -0.059 0.000 2.097 452 Y HA -0.138 4.324 4.550 -0.148 0.000 0.282 452 Y C 2.299 178.153 175.900 -0.076 0.000 1.152 452 Y CA 1.172 59.230 58.100 -0.070 0.000 1.136 452 Y CB -0.555 37.858 38.460 -0.078 0.000 0.975 452 Y HN -0.118 nan 8.280 nan 0.000 0.498 453 L N -0.790 120.450 121.223 0.029 0.000 2.270 453 L HA -0.327 3.895 4.340 -0.197 0.000 0.217 453 L C 2.228 179.036 176.870 -0.103 0.000 1.107 453 L CA 1.621 56.432 54.840 -0.047 0.000 0.772 453 L CB -0.600 41.459 42.059 0.001 0.000 0.902 453 L HN 0.198 nan 8.230 nan 0.000 0.439 454 S N -1.285 114.353 115.700 -0.104 0.000 2.446 454 S HA -0.056 4.296 4.470 -0.197 0.000 0.225 454 S C 1.954 176.450 174.600 -0.174 0.000 1.016 454 S CA 0.482 58.614 58.200 -0.113 0.000 0.943 454 S CB 0.176 63.312 63.200 -0.107 0.000 0.786 454 S HN 0.151 nan 8.310 nan 0.000 0.508 455 V N 1.691 121.454 119.914 -0.250 0.000 2.255 455 V HA -0.129 3.873 4.120 -0.197 0.000 0.243 455 V C 2.341 178.252 176.094 -0.305 0.000 1.038 455 V CA 1.422 63.536 62.300 -0.309 0.000 1.008 455 V CB -0.736 30.826 31.823 -0.436 0.000 0.645 455 V HN 0.310 nan 8.190 nan 0.000 0.449 456 V N 0.104 119.790 119.914 -0.379 0.000 2.214 456 V HA -0.327 3.675 4.120 -0.197 0.000 0.247 456 V C 2.346 178.299 176.094 -0.235 0.000 1.051 456 V CA 2.403 64.517 62.300 -0.309 0.000 1.003 456 V CB -0.768 30.873 31.823 -0.302 0.000 0.635 456 V HN 0.458 nan 8.190 nan 0.000 0.447 457 L N 0.557 121.654 121.223 -0.210 0.000 2.270 457 L HA -0.246 3.976 4.340 -0.197 0.000 0.217 457 L C 2.324 179.132 176.870 -0.103 0.000 1.107 457 L CA 1.962 56.693 54.840 -0.181 0.000 0.772 457 L CB -0.839 41.168 42.059 -0.087 0.000 0.902 457 L HN 0.536 nan 8.230 nan 0.000 0.439 458 N N -0.306 118.328 118.700 -0.111 0.000 2.300 458 N HA -0.189 4.433 4.740 -0.197 0.000 0.179 458 N C 1.861 177.314 175.510 -0.096 0.000 1.016 458 N CA 0.812 53.814 53.050 -0.080 0.000 0.876 458 N CB 0.061 38.481 38.487 -0.112 0.000 0.979 458 N HN 0.267 nan 8.380 nan 0.000 0.432 459 Q N -0.234 119.488 119.800 -0.131 0.000 2.020 459 Q HA -0.168 4.054 4.340 -0.197 0.000 0.202 459 Q C 1.918 177.861 176.000 -0.095 0.000 0.982 459 Q CA 1.519 57.249 55.803 -0.123 0.000 0.838 459 Q CB -0.267 28.384 28.738 -0.145 0.000 0.899 459 Q HN 0.442 nan 8.270 nan 0.000 0.423 460 L N 0.666 121.818 121.223 -0.118 0.000 1.990 460 L HA -0.226 3.996 4.340 -0.197 0.000 0.213 460 L C 2.359 179.221 176.870 -0.013 0.000 1.072 460 L CA 1.988 56.770 54.840 -0.097 0.000 0.755 460 L CB -1.146 40.793 42.059 -0.200 0.000 0.889 460 L HN 0.374 nan 8.230 nan 0.000 0.432 461 c N -1.095 117.505 118.600 0.001 0.000 2.413 461 c HA -0.166 4.286 4.570 -0.197 0.000 0.276 461 c C 2.827 176.945 174.090 0.048 0.000 1.236 461 c CA 1.199 57.559 56.329 0.053 0.000 1.735 461 c CB -1.212 41.340 42.510 0.071 0.000 2.031 461 c HN 0.659 nan 8.230 nan 0.000 0.474 462 V N -0.083 119.825 119.914 -0.009 0.000 2.270 462 V HA -0.181 3.821 4.120 -0.197 0.000 0.245 462 V C 2.221 178.311 176.094 -0.007 0.000 1.043 462 V CA 1.891 64.172 62.300 -0.032 0.000 1.014 462 V CB -1.244 30.522 31.823 -0.095 0.000 0.645 462 V HN 0.553 nan 8.190 nan 0.000 0.447 463 L N 0.202 121.419 121.223 -0.010 0.000 2.013 463 L HA -0.271 3.951 4.340 -0.197 0.000 0.212 463 L C 2.825 179.707 176.870 0.021 0.000 1.073 463 L CA 2.726 57.561 54.840 -0.007 0.000 0.753 463 L CB -0.976 41.072 42.059 -0.019 0.000 0.890 463 L HN 0.531 nan 8.230 nan 0.000 0.432 464 H N -0.165 118.886 119.070 -0.031 0.000 2.389 464 H HA -0.204 4.232 4.556 -0.200 0.000 0.299 464 H C 2.260 177.578 175.328 -0.017 0.000 1.081 464 H CA 1.722 57.760 56.048 -0.015 0.000 1.345 464 H CB 0.162 29.929 29.762 0.008 0.000 1.393 464 H HN 0.309 nan 8.280 nan 0.000 0.520 465 E N 0.555 120.830 120.200 0.126 0.000 2.209 465 E HA -0.250 3.982 4.350 -0.197 0.000 0.196 465 E C 2.088 178.662 176.600 -0.042 0.000 0.993 465 E CA 1.053 57.487 56.400 0.057 0.000 0.819 465 E CB -0.012 29.703 29.700 0.025 0.000 0.745 465 E HN 0.474 nan 8.360 nan 0.000 0.477 466 K N -0.369 119.995 120.400 -0.060 0.000 1.985 466 K HA -0.079 4.123 4.320 -0.197 0.000 0.210 466 K C 0.073 176.611 176.600 -0.103 0.000 1.047 466 K CA 1.686 57.931 56.287 -0.071 0.000 0.932 466 K CB 0.147 32.613 32.500 -0.057 0.000 0.716 466 K HN 0.030 nan 8.250 nan 0.000 0.439 467 T N 3.178 117.635 114.554 -0.161 0.000 3.150 467 T HA 0.263 4.495 4.350 -0.197 0.000 0.383 467 T C -2.695 171.799 174.700 -0.343 0.000 1.313 467 T CA -1.513 60.478 62.100 -0.181 0.000 1.235 467 T CB 1.469 70.258 68.868 -0.131 0.000 1.088 467 T HN 0.134 nan 8.240 nan 0.000 0.556 468 P HA 0.136 nan 4.420 nan 0.000 0.265 468 P C 0.662 177.815 177.300 -0.245 0.000 1.193 468 P CA -0.141 62.687 63.100 -0.453 0.000 0.765 468 P CB 1.259 32.906 31.700 -0.088 0.000 0.823 469 V N -0.593 119.229 119.914 -0.153 0.000 3.356 469 V HA 0.263 4.265 4.120 -0.197 0.000 0.274 469 V C 0.410 176.601 176.094 0.161 0.000 1.631 469 V CA 0.247 62.567 62.300 0.033 0.000 1.025 469 V CB 0.212 32.033 31.823 -0.003 0.000 0.840 469 V HN 0.560 nan 8.190 nan 0.000 0.419 470 S N 1.214 117.120 115.700 0.344 0.000 2.774 470 S HA 0.369 4.721 4.470 -0.197 0.000 0.297 470 S C 0.426 175.087 174.600 0.102 0.000 1.143 470 S CA -0.274 58.035 58.200 0.183 0.000 1.090 470 S CB 1.103 64.381 63.200 0.130 0.000 1.019 470 S HN 0.354 nan 8.310 nan 0.000 0.482 471 D N 4.029 124.467 120.400 0.065 0.000 2.190 471 D HA -0.133 4.389 4.640 -0.197 0.000 0.200 471 D C 1.712 177.997 176.300 -0.026 0.000 0.992 471 D CA 1.195 55.210 54.000 0.025 0.000 0.854 471 D CB 0.092 40.902 40.800 0.016 0.000 0.936 471 D HN 0.629 nan 8.370 nan 0.000 0.462 472 R N 0.347 120.828 120.500 -0.031 0.000 2.152 472 R HA -0.049 4.173 4.340 -0.197 0.000 0.232 472 R C 2.376 178.605 176.300 -0.118 0.000 1.117 472 R CA 0.429 56.486 56.100 -0.071 0.000 0.981 472 R CB -0.133 30.140 30.300 -0.046 0.000 0.870 472 R HN 0.087 nan 8.270 nan 0.000 0.451 473 V N 0.180 120.024 119.914 -0.117 0.000 2.407 473 V HA -0.167 3.835 4.120 -0.197 0.000 0.245 473 V C 2.029 177.991 176.094 -0.221 0.000 1.041 473 V CA 1.885 64.087 62.300 -0.164 0.000 1.040 473 V CB -0.189 31.355 31.823 -0.465 0.000 0.671 473 V HN 0.354 nan 8.190 nan 0.000 0.455 474 T N -0.169 114.273 114.554 -0.186 0.000 2.652 474 T HA -0.274 3.958 4.350 -0.197 0.000 0.267 474 T C 1.928 176.576 174.700 -0.086 0.000 1.039 474 T CA 2.041 64.092 62.100 -0.083 0.000 1.153 474 T CB -0.201 68.671 68.868 0.006 0.000 0.863 474 T HN 0.418 nan 8.240 nan 0.000 0.428 475 K N 0.243 120.582 120.400 -0.102 0.000 1.991 475 K HA -0.146 4.056 4.320 -0.197 0.000 0.212 475 K C 2.509 179.017 176.600 -0.152 0.000 1.049 475 K CA 1.735 57.959 56.287 -0.106 0.000 0.932 475 K CB -0.574 31.863 32.500 -0.106 0.000 0.717 475 K HN 0.302 nan 8.250 nan 0.000 0.441 476 c N 0.489 118.921 118.600 -0.281 0.000 2.403 476 c HA -0.147 4.305 4.570 -0.197 0.000 0.282 476 c C 2.818 176.751 174.090 -0.261 0.000 1.297 476 c CA 0.660 56.725 56.329 -0.440 0.000 1.785 476 c CB -1.043 40.823 42.510 -1.073 0.000 1.963 476 c HN 0.665 nan 8.230 nan 0.000 0.507 477 c N -0.182 118.344 118.600 -0.123 0.000 2.504 477 c HA 0.005 4.457 4.570 -0.197 0.000 0.279 477 c C 2.704 176.855 174.090 0.102 0.000 1.358 477 c CA 1.525 57.875 56.329 0.036 0.000 1.747 477 c CB -1.341 41.199 42.510 0.051 0.000 2.037 477 c HN 0.819 nan 8.230 nan 0.000 0.503 478 T N -2.029 112.545 114.554 0.034 0.000 3.014 478 T HA 0.031 4.263 4.350 -0.197 0.000 0.250 478 T C 1.424 176.187 174.700 0.105 0.000 1.060 478 T CA 0.642 62.766 62.100 0.040 0.000 1.040 478 T CB -0.131 68.715 68.868 -0.037 0.000 0.971 478 T HN 0.584 nan 8.240 nan 0.000 0.497 479 E N 1.860 122.093 120.200 0.055 0.000 2.015 479 E HA -0.039 4.193 4.350 -0.197 0.000 0.191 479 E C 0.638 177.293 176.600 0.091 0.000 0.991 479 E CA 1.096 57.520 56.400 0.041 0.000 0.802 479 E CB 0.163 29.847 29.700 -0.027 0.000 0.759 479 E HN 0.535 nan 8.360 nan 0.000 0.447 480 S N -1.114 114.622 115.700 0.061 0.000 2.543 480 S HA 0.155 4.507 4.470 -0.197 0.000 0.271 480 S C 0.149 174.671 174.600 -0.131 0.000 1.148 480 S CA -0.854 57.335 58.200 -0.019 0.000 0.914 480 S CB 1.560 64.719 63.200 -0.067 0.000 1.096 480 S HN 0.216 nan 8.310 nan 0.000 0.471 481 L N 4.963 125.883 121.223 -0.504 0.000 2.093 481 L HA 0.210 4.432 4.340 -0.197 0.000 0.208 481 L C 1.935 178.611 176.870 -0.323 0.000 1.085 481 L CA 1.901 56.352 54.840 -0.649 0.000 0.755 481 L CB -0.552 40.636 42.059 -1.452 0.000 0.904 481 L HN 0.699 nan 8.230 nan 0.000 0.435 482 V N -0.283 119.466 119.914 -0.275 0.000 2.719 482 V HA -0.152 3.850 4.120 -0.197 0.000 0.252 482 V C 1.892 177.913 176.094 -0.121 0.000 1.065 482 V CA 1.767 63.963 62.300 -0.174 0.000 1.086 482 V CB -0.875 30.856 31.823 -0.154 0.000 0.700 482 V HN 0.528 nan 8.190 nan 0.000 0.467 483 N N -0.470 118.161 118.700 -0.115 0.000 2.422 483 N HA 0.015 4.637 4.740 -0.197 0.000 0.181 483 N C 1.801 177.273 175.510 -0.063 0.000 1.080 483 N CA -0.123 52.875 53.050 -0.086 0.000 0.893 483 N CB 0.046 38.480 38.487 -0.087 0.000 0.973 483 N HN 0.401 nan 8.380 nan 0.000 0.456 484 R N 1.147 121.618 120.500 -0.047 0.000 2.196 484 R HA -0.246 3.976 4.340 -0.197 0.000 0.244 484 R C 2.119 178.488 176.300 0.115 0.000 1.121 484 R CA 1.468 57.578 56.100 0.016 0.000 0.930 484 R CB -0.437 29.921 30.300 0.096 0.000 0.890 484 R HN 0.221 nan 8.270 nan 0.000 0.435 485 R N 0.481 121.049 120.500 0.114 0.000 2.096 485 R HA -0.119 4.103 4.340 -0.197 0.000 0.240 485 R C -0.714 175.648 176.300 0.104 0.000 1.139 485 R CA 1.857 58.045 56.100 0.146 0.000 0.952 485 R CB -1.411 28.929 30.300 0.066 0.000 0.854 485 R HN 0.190 nan 8.270 nan 0.000 0.436 486 P HA -0.117 nan 4.420 nan 0.000 0.216 486 P C 1.630 178.912 177.300 -0.030 0.000 1.150 486 P CA 1.031 64.126 63.100 -0.009 0.000 0.837 486 P CB -0.194 31.483 31.700 -0.039 0.000 0.786 487 c N -1.831 116.722 118.600 -0.079 0.000 2.436 487 c HA -0.157 4.295 4.570 -0.197 0.000 0.277 487 c C 2.384 176.355 174.090 -0.198 0.000 1.241 487 c CA 0.813 57.032 56.329 -0.184 0.000 1.721 487 c CB -2.073 40.246 42.510 -0.319 0.000 2.043 487 c HN 0.079 nan 8.230 nan 0.000 0.472 488 F N 1.029 120.949 119.950 -0.050 0.000 2.186 488 F HA -0.057 4.352 4.527 -0.197 0.000 0.299 488 F C 2.854 178.576 175.800 -0.130 0.000 1.090 488 F CA 1.834 59.785 58.000 -0.082 0.000 1.307 488 F CB -0.881 38.120 39.000 0.002 0.000 1.019 488 F HN 0.126 nan 8.300 nan 0.000 0.489 489 S N -0.584 115.180 115.700 0.107 0.000 2.447 489 S HA -0.087 4.265 4.470 -0.197 0.000 0.233 489 S C 2.256 176.844 174.600 -0.021 0.000 1.006 489 S CA 0.809 59.025 58.200 0.026 0.000 0.957 489 S CB -0.409 62.814 63.200 0.037 0.000 0.773 489 S HN 0.342 nan 8.310 nan 0.000 0.507 490 A N 1.021 123.822 122.820 -0.032 0.000 1.929 490 A HA 0.208 4.410 4.320 -0.197 0.000 0.216 490 A C 0.848 178.398 177.584 -0.057 0.000 1.176 490 A CA 0.434 52.443 52.037 -0.047 0.000 0.628 490 A CB -0.435 18.530 19.000 -0.059 0.000 0.816 490 A HN 0.433 nan 8.150 nan 0.000 0.444 491 L N 0.047 121.229 121.223 -0.070 0.000 2.514 491 L HA 0.072 4.294 4.340 -0.197 0.000 0.280 491 L C 1.310 178.130 176.870 -0.084 0.000 1.223 491 L CA -0.053 54.741 54.840 -0.076 0.000 0.864 491 L CB 0.474 42.487 42.059 -0.076 0.000 1.118 491 L HN 0.515 nan 8.230 nan 0.000 0.494 492 E N 2.632 122.791 120.200 -0.069 0.000 2.406 492 E HA 0.189 4.421 4.350 -0.197 0.000 0.200 492 E C -0.583 175.977 176.600 -0.067 0.000 1.034 492 E CA 0.214 56.575 56.400 -0.065 0.000 1.057 492 E CB 0.670 30.345 29.700 -0.042 0.000 1.751 492 E HN 0.344 nan 8.360 nan 0.000 0.525 493 V N -0.198 119.689 119.914 -0.044 0.000 2.841 493 V HA 0.516 4.518 4.120 -0.197 0.000 0.310 493 V C -0.960 175.123 176.094 -0.017 0.000 1.090 493 V CA -1.085 61.195 62.300 -0.033 0.000 0.930 493 V CB 1.722 33.539 31.823 -0.010 0.000 1.014 493 V HN 0.238 nan 8.190 nan 0.000 0.425 494 D N 2.624 123.017 120.400 -0.012 0.000 2.344 494 D HA 0.213 4.735 4.640 -0.197 0.000 0.253 494 D C 0.996 177.336 176.300 0.066 0.000 1.255 494 D CA 0.276 54.286 54.000 0.017 0.000 0.894 494 D CB 1.436 42.241 40.800 0.008 0.000 1.067 494 D HN 0.774 nan 8.370 nan 0.000 0.492 495 E N 1.137 121.363 120.200 0.044 0.000 2.268 495 E HA -0.123 4.109 4.350 -0.197 0.000 0.195 495 E C 1.657 178.291 176.600 0.057 0.000 0.995 495 E CA 1.072 57.499 56.400 0.045 0.000 0.836 495 E CB 0.223 29.936 29.700 0.021 0.000 0.763 495 E HN 0.587 nan 8.360 nan 0.000 0.491 496 T N -1.748 112.847 114.554 0.068 0.000 3.081 496 T HA -0.102 4.130 4.350 -0.197 0.000 0.255 496 T C 0.600 175.364 174.700 0.107 0.000 1.113 496 T CA -0.334 61.804 62.100 0.064 0.000 1.082 496 T CB -0.303 68.596 68.868 0.051 0.000 0.939 496 T HN 0.057 nan 8.240 nan 0.000 0.506 497 Y N 2.582 122.883 120.300 0.002 0.000 2.717 497 Y HA 0.327 4.760 4.550 -0.194 0.000 0.330 497 Y C -0.263 175.640 175.900 0.005 0.000 1.217 497 Y CA -1.159 56.946 58.100 0.007 0.000 1.506 497 Y CB 0.286 38.751 38.460 0.010 0.000 1.268 497 Y HN -0.026 nan 8.280 nan 0.000 0.561 498 V N 10.249 129.847 119.914 -0.526 0.000 2.334 498 V HA 0.223 4.225 4.120 -0.197 0.000 0.267 498 V C -1.909 173.639 176.094 -0.909 0.000 1.040 498 V CA -1.904 60.085 62.300 -0.518 0.000 0.866 498 V CB 0.549 32.223 31.823 -0.249 0.000 1.019 498 V HN 0.758 nan 8.190 nan 0.000 0.468 499 P HA 0.002 nan 4.420 nan 0.000 0.264 499 P C -0.119 177.047 177.300 -0.224 0.000 1.179 499 P CA 0.213 63.033 63.100 -0.467 0.000 0.763 499 P CB 0.504 32.058 31.700 -0.243 0.000 0.806 500 K N 2.464 122.862 120.400 -0.005 0.000 2.202 500 K HA 0.121 4.323 4.320 -0.197 0.000 0.264 500 K C 0.247 177.024 176.600 0.295 0.000 1.010 500 K CA -0.358 56.017 56.287 0.147 0.000 0.940 500 K CB 0.488 33.133 32.500 0.242 0.000 0.983 500 K HN 0.424 nan 8.250 nan 0.000 0.475 501 E N 2.495 122.823 120.200 0.213 0.000 2.249 501 E HA 0.042 4.274 4.350 -0.197 0.000 0.280 501 E C -0.392 176.318 176.600 0.184 0.000 1.016 501 E CA -0.453 56.091 56.400 0.240 0.000 0.830 501 E CB 0.727 30.507 29.700 0.133 0.000 1.081 501 E HN 0.376 nan 8.360 nan 0.000 0.395 502 F N 3.243 123.141 119.950 -0.086 0.000 2.602 502 F HA -0.024 4.385 4.527 -0.196 0.000 0.367 502 F C 0.086 175.825 175.800 -0.102 0.000 1.126 502 F CA 0.325 58.147 58.000 -0.296 0.000 1.321 502 F CB 0.432 39.126 39.000 -0.511 0.000 1.094 502 F HN 0.203 nan 8.300 nan 0.000 0.594 503 N N 4.733 122.973 118.700 -0.767 0.000 2.399 503 N HA 0.368 4.990 4.740 -0.197 0.000 0.280 503 N C 0.463 175.541 175.510 -0.720 0.000 1.008 503 N CA 0.199 52.989 53.050 -0.434 0.000 0.894 503 N CB 1.867 40.238 38.487 -0.193 0.000 1.273 503 N HN 0.799 nan 8.380 nan 0.000 0.486 504 A N 2.881 125.603 122.820 -0.164 0.000 1.869 504 A HA -0.301 3.901 4.320 -0.197 0.000 0.218 504 A C 2.089 179.669 177.584 -0.007 0.000 1.203 504 A CA 2.801 54.887 52.037 0.083 0.000 0.638 504 A CB -1.082 18.021 19.000 0.173 0.000 0.831 504 A HN 0.768 nan 8.150 nan 0.000 0.450 505 E N -1.139 119.048 120.200 -0.022 0.000 2.097 505 E HA -0.238 3.994 4.350 -0.197 0.000 0.196 505 E C 1.992 178.571 176.600 -0.035 0.000 1.000 505 E CA 2.264 58.655 56.400 -0.014 0.000 0.804 505 E CB -1.884 27.803 29.700 -0.022 0.000 0.740 505 E HN 0.682 nan 8.360 nan 0.000 0.454 506 T N -0.350 114.158 114.554 -0.078 0.000 2.833 506 T HA -0.022 4.210 4.350 -0.197 0.000 0.269 506 T C 0.714 175.270 174.700 -0.239 0.000 1.054 506 T CA 1.260 63.267 62.100 -0.156 0.000 1.135 506 T CB -0.268 68.492 68.868 -0.180 0.000 0.869 506 T HN 0.454 nan 8.240 nan 0.000 0.466 507 F N 1.155 120.987 119.950 -0.198 0.000 2.772 507 F HA 0.311 4.721 4.527 -0.195 0.000 0.302 507 F C 0.550 176.387 175.800 0.062 0.000 1.136 507 F CA -0.702 57.280 58.000 -0.029 0.000 1.322 507 F CB -0.190 38.864 39.000 0.091 0.000 0.967 507 F HN -0.187 nan 8.300 nan 0.000 0.513 508 T N 1.314 115.962 114.554 0.156 0.000 2.781 508 T HA 0.432 4.664 4.350 -0.197 0.000 0.305 508 T C -0.053 174.698 174.700 0.085 0.000 1.001 508 T CA -0.170 62.007 62.100 0.129 0.000 0.950 508 T CB -0.435 68.490 68.868 0.096 0.000 0.955 508 T HN 0.124 nan 8.240 nan 0.000 0.471 509 F N 0.997 121.011 119.950 0.106 0.000 2.424 509 F HA 0.653 5.062 4.527 -0.197 0.000 0.356 509 F C 0.715 176.560 175.800 0.076 0.000 1.110 509 F CA -1.469 56.583 58.000 0.086 0.000 1.161 509 F CB -0.998 38.076 39.000 0.124 0.000 1.115 509 F HN 1.037 nan 8.300 nan 0.000 0.507 510 H N 0.755 119.858 119.070 0.055 0.000 2.585 510 H HA 0.784 5.222 4.556 -0.197 0.000 0.338 510 H C 1.356 176.713 175.328 0.048 0.000 1.295 510 H CA -0.027 56.050 56.048 0.048 0.000 1.356 510 H CB 1.143 30.926 29.762 0.034 0.000 1.736 510 H HN 1.467 nan 8.280 nan 0.000 0.629 511 A N -0.041 122.804 122.820 0.042 0.000 2.119 511 A HA -0.047 4.155 4.320 -0.197 0.000 0.216 511 A C 1.823 179.426 177.584 0.031 0.000 1.152 511 A CA 1.343 53.403 52.037 0.039 0.000 0.708 511 A CB -0.563 18.458 19.000 0.035 0.000 0.805 511 A HN 0.893 nan 8.150 nan 0.000 0.460 512 D N 1.078 121.493 120.400 0.026 0.000 2.384 512 D HA -0.181 4.341 4.640 -0.197 0.000 0.222 512 D C 1.493 177.804 176.300 0.018 0.000 0.976 512 D CA 1.300 55.312 54.000 0.019 0.000 0.915 512 D CB -0.536 40.273 40.800 0.015 0.000 0.896 512 D HN 0.725 nan 8.370 nan 0.000 0.523 513 I N -1.877 118.706 120.570 0.023 0.000 3.059 513 I HA -0.042 4.010 4.170 -0.197 0.000 0.270 513 I C 1.745 177.874 176.117 0.021 0.000 1.238 513 I CA 0.067 61.380 61.300 0.021 0.000 1.478 513 I CB -0.413 37.605 38.000 0.030 0.000 1.097 513 I HN -0.098 nan 8.210 nan 0.000 0.455 514 c N 0.680 119.295 118.600 0.024 0.000 2.457 514 c HA -0.091 4.361 4.570 -0.197 0.000 0.278 514 c C 2.947 177.046 174.090 0.015 0.000 1.309 514 c CA 1.305 57.648 56.329 0.022 0.000 1.735 514 c CB -1.370 41.155 42.510 0.025 0.000 1.992 514 c HN 0.648 nan 8.230 nan 0.000 0.493 515 T N 0.906 115.468 114.554 0.014 0.000 2.904 515 T HA 0.063 4.295 4.350 -0.197 0.000 0.267 515 T C 0.847 175.553 174.700 0.009 0.000 1.059 515 T CA 1.264 63.371 62.100 0.012 0.000 1.137 515 T CB -0.663 68.213 68.868 0.012 0.000 0.879 515 T HN 0.491 nan 8.240 nan 0.000 0.467 516 L N 3.320 124.548 121.223 0.008 0.000 2.525 516 L HA 0.584 4.806 4.340 -0.197 0.000 0.278 516 L C 1.040 177.911 176.870 0.001 0.000 1.218 516 L CA -0.014 54.828 54.840 0.004 0.000 0.878 516 L CB -0.952 41.109 42.059 0.002 0.000 1.127 516 L HN 0.659 nan 8.230 nan 0.000 0.492 517 S N 0.927 116.627 115.700 -0.000 0.000 2.572 517 S HA 0.015 4.367 4.470 -0.197 0.000 0.262 517 S C 1.112 175.704 174.600 -0.013 0.000 1.375 517 S CA 0.672 58.870 58.200 -0.004 0.000 0.996 517 S CB 0.314 63.514 63.200 -0.001 0.000 0.892 517 S HN 1.111 nan 8.310 nan 0.000 0.562 518 E N 1.487 121.676 120.200 -0.019 0.000 2.118 518 E HA -0.151 4.081 4.350 -0.197 0.000 0.195 518 E C 2.209 178.778 176.600 -0.052 0.000 0.992 518 E CA 2.379 58.756 56.400 -0.038 0.000 0.804 518 E CB -0.847 28.828 29.700 -0.042 0.000 0.741 518 E HN 0.798 nan 8.360 nan 0.000 0.458 519 K N 0.244 120.623 120.400 -0.035 0.000 2.031 519 K HA 0.033 4.235 4.320 -0.197 0.000 0.205 519 K C 2.354 178.943 176.600 -0.019 0.000 1.049 519 K CA 1.861 58.130 56.287 -0.030 0.000 0.939 519 K CB -1.682 30.812 32.500 -0.009 0.000 0.717 519 K HN 0.417 nan 8.250 nan 0.000 0.438 520 E N 1.140 121.333 120.200 -0.012 0.000 2.273 520 E HA -0.236 3.996 4.350 -0.197 0.000 0.198 520 E C 2.042 178.636 176.600 -0.011 0.000 1.002 520 E CA 1.737 58.132 56.400 -0.008 0.000 0.828 520 E CB -0.612 29.085 29.700 -0.005 0.000 0.747 520 E HN 0.707 nan 8.360 nan 0.000 0.491 521 R N -0.497 119.993 120.500 -0.016 0.000 2.052 521 R HA -0.110 4.112 4.340 -0.197 0.000 0.226 521 R C 2.706 179.000 176.300 -0.009 0.000 1.145 521 R CA 1.378 57.470 56.100 -0.013 0.000 0.952 521 R CB -0.229 30.060 30.300 -0.018 0.000 0.847 521 R HN 0.508 nan 8.270 nan 0.000 0.431 522 Q N 0.364 120.145 119.800 -0.032 0.000 2.133 522 Q HA -0.214 4.008 4.340 -0.197 0.000 0.208 522 Q C 2.167 178.218 176.000 0.085 0.000 0.991 522 Q CA 2.118 57.930 55.803 0.016 0.000 0.867 522 Q CB -0.245 28.443 28.738 -0.082 0.000 0.911 522 Q HN 0.491 nan 8.270 nan 0.000 0.417 523 I N 0.484 121.074 120.570 0.033 0.000 2.361 523 I HA -0.287 3.765 4.170 -0.197 0.000 0.251 523 I C 2.148 178.256 176.117 -0.015 0.000 1.133 523 I CA 1.184 62.493 61.300 0.015 0.000 1.413 523 I CB -0.250 37.750 38.000 -0.001 0.000 1.073 523 I HN 0.180 nan 8.210 nan 0.000 0.424 524 K N 1.094 121.481 120.400 -0.022 0.000 1.991 524 K HA -0.096 4.106 4.320 -0.197 0.000 0.207 524 K C 2.128 178.678 176.600 -0.083 0.000 1.045 524 K CA 1.062 57.317 56.287 -0.054 0.000 0.937 524 K CB -0.114 32.363 32.500 -0.038 0.000 0.720 524 K HN 0.225 nan 8.250 nan 0.000 0.438 525 K N 1.224 121.596 120.400 -0.047 0.000 2.074 525 K HA -0.223 3.979 4.320 -0.197 0.000 0.209 525 K C 2.172 178.711 176.600 -0.101 0.000 1.048 525 K CA 1.556 57.793 56.287 -0.083 0.000 0.926 525 K CB -0.151 32.371 32.500 0.037 0.000 0.713 525 K HN 0.273 nan 8.250 nan 0.000 0.444 526 Q N -0.057 119.727 119.800 -0.027 0.000 2.224 526 Q HA -0.071 4.151 4.340 -0.197 0.000 0.203 526 Q C 1.727 177.668 176.000 -0.099 0.000 0.970 526 Q CA 1.249 57.019 55.803 -0.054 0.000 0.865 526 Q CB 0.057 28.792 28.738 -0.004 0.000 0.922 526 Q HN 0.309 nan 8.270 nan 0.000 0.445 527 T N 0.324 114.809 114.554 -0.115 0.000 3.014 527 T HA 0.038 4.270 4.350 -0.197 0.000 0.263 527 T C 1.803 176.373 174.700 -0.217 0.000 1.078 527 T CA 0.789 62.803 62.100 -0.142 0.000 1.135 527 T CB 0.038 68.827 68.868 -0.132 0.000 0.895 527 T HN 0.327 nan 8.240 nan 0.000 0.480 528 A N 1.674 124.334 122.820 -0.266 0.000 1.854 528 A HA 0.064 4.266 4.320 -0.197 0.000 0.214 528 A C 2.150 179.562 177.584 -0.286 0.000 1.192 528 A CA 0.944 52.744 52.037 -0.395 0.000 0.611 528 A CB -0.889 17.822 19.000 -0.483 0.000 0.832 528 A HN 0.374 nan 8.150 nan 0.000 0.442 529 L N 0.231 121.323 121.223 -0.218 0.000 2.081 529 L HA -0.163 4.059 4.340 -0.197 0.000 0.212 529 L C 2.378 179.211 176.870 -0.063 0.000 1.080 529 L CA 1.839 56.609 54.840 -0.118 0.000 0.754 529 L CB -0.626 41.367 42.059 -0.111 0.000 0.893 529 L HN 0.179 nan 8.230 nan 0.000 0.433 530 V N -0.426 119.435 119.914 -0.090 0.000 2.237 530 V HA -0.264 3.738 4.120 -0.197 0.000 0.245 530 V C 2.623 178.707 176.094 -0.016 0.000 1.046 530 V CA 1.922 64.189 62.300 -0.056 0.000 1.007 530 V CB -0.660 31.118 31.823 -0.076 0.000 0.638 530 V HN 0.433 nan 8.190 nan 0.000 0.445 531 E N -0.123 120.035 120.200 -0.070 0.000 2.097 531 E HA -0.241 3.991 4.350 -0.197 0.000 0.196 531 E C 2.191 178.928 176.600 0.230 0.000 1.000 531 E CA 1.308 57.707 56.400 -0.002 0.000 0.804 531 E CB -0.516 28.994 29.700 -0.316 0.000 0.740 531 E HN 0.506 nan 8.360 nan 0.000 0.454 532 L N 0.502 121.861 121.223 0.225 0.000 1.956 532 L HA -0.233 3.989 4.340 -0.197 0.000 0.216 532 L C 2.509 179.550 176.870 0.285 0.000 1.073 532 L CA 1.354 56.407 54.840 0.355 0.000 0.762 532 L CB -0.381 41.837 42.059 0.265 0.000 0.889 532 L HN 0.021 nan 8.230 nan 0.000 0.433 533 V N -0.181 119.835 119.914 0.169 0.000 2.380 533 V HA -0.337 3.665 4.120 -0.197 0.000 0.251 533 V C 2.392 178.591 176.094 0.175 0.000 1.063 533 V CA 1.878 64.258 62.300 0.134 0.000 1.055 533 V CB -0.724 31.136 31.823 0.062 0.000 0.657 533 V HN 0.455 nan 8.190 nan 0.000 0.455 534 K N -0.748 119.766 120.400 0.191 0.000 2.280 534 K HA -0.201 4.001 4.320 -0.197 0.000 0.202 534 K C 2.122 178.966 176.600 0.407 0.000 1.047 534 K CA 1.559 58.005 56.287 0.267 0.000 0.942 534 K CB -0.207 32.420 32.500 0.212 0.000 0.739 534 K HN 0.602 nan 8.250 nan 0.000 0.457 535 H N 0.444 119.651 119.070 0.230 0.000 2.431 535 H HA 0.063 4.501 4.556 -0.197 0.000 0.295 535 H C 0.569 175.983 175.328 0.143 0.000 1.038 535 H CA 1.494 57.653 56.048 0.186 0.000 1.360 535 H CB 0.430 30.316 29.762 0.207 0.000 1.433 535 H HN -0.015 nan 8.280 nan 0.000 0.536 536 K N 0.803 121.287 120.400 0.140 0.000 2.800 536 K HA 0.314 4.516 4.320 -0.197 0.000 0.185 536 K C -2.423 174.226 176.600 0.082 0.000 1.082 536 K CA -1.328 54.983 56.287 0.039 0.000 0.978 536 K CB 0.058 32.597 32.500 0.064 0.000 1.364 536 K HN 0.219 nan 8.250 nan 0.000 0.592 537 P HA -0.301 nan 4.420 nan 0.000 0.214 537 P C 1.978 179.318 177.300 0.067 0.000 1.172 537 P CA 2.843 66.018 63.100 0.124 0.000 0.925 537 P CB 0.257 32.079 31.700 0.202 0.000 0.793 538 K N -0.750 119.678 120.400 0.048 0.000 2.519 538 K HA 0.166 4.368 4.320 -0.197 0.000 0.196 538 K C 1.192 177.806 176.600 0.024 0.000 1.041 538 K CA 1.153 57.457 56.287 0.027 0.000 0.954 538 K CB -1.615 30.894 32.500 0.015 0.000 0.774 538 K HN 0.416 nan 8.250 nan 0.000 0.480 539 A N 1.178 124.018 122.820 0.033 0.000 2.504 539 A HA 0.412 4.614 4.320 -0.197 0.000 0.242 539 A C 0.917 178.520 177.584 0.031 0.000 1.100 539 A CA 0.692 52.751 52.037 0.037 0.000 0.786 539 A CB -0.183 18.852 19.000 0.058 0.000 1.050 539 A HN 0.871 nan 8.150 nan 0.000 0.512 540 T N -3.079 111.494 114.554 0.031 0.000 2.932 540 T HA 0.655 4.887 4.350 -0.197 0.000 0.289 540 T C 1.024 175.740 174.700 0.028 0.000 1.039 540 T CA 0.038 62.153 62.100 0.025 0.000 1.024 540 T CB 1.515 70.395 68.868 0.021 0.000 1.090 540 T HN 1.076 nan 8.240 nan 0.000 0.496 541 K N 0.499 120.911 120.400 0.020 0.000 2.280 541 K HA -0.086 4.116 4.320 -0.197 0.000 0.202 541 K C 1.842 178.458 176.600 0.026 0.000 1.047 541 K CA 1.711 58.009 56.287 0.018 0.000 0.942 541 K CB -1.077 31.428 32.500 0.009 0.000 0.739 541 K HN 0.784 nan 8.250 nan 0.000 0.457 542 E N 0.794 121.010 120.200 0.027 0.000 2.028 542 E HA -0.184 4.048 4.350 -0.197 0.000 0.191 542 E C 2.294 178.919 176.600 0.041 0.000 0.988 542 E CA 1.470 57.889 56.400 0.031 0.000 0.799 542 E CB -0.427 29.289 29.700 0.026 0.000 0.755 542 E HN 0.805 nan 8.360 nan 0.000 0.447 543 Q N 0.692 120.518 119.800 0.044 0.000 2.030 543 Q HA -0.099 4.123 4.340 -0.197 0.000 0.204 543 Q C 2.584 178.630 176.000 0.077 0.000 0.986 543 Q CA 1.225 57.062 55.803 0.056 0.000 0.843 543 Q CB -0.345 28.425 28.738 0.055 0.000 0.904 543 Q HN 0.194 nan 8.270 nan 0.000 0.420 544 L N 0.754 122.022 121.223 0.075 0.000 1.978 544 L HA -0.331 3.891 4.340 -0.197 0.000 0.218 544 L C 2.936 179.863 176.870 0.095 0.000 1.075 544 L CA 2.109 57.002 54.840 0.088 0.000 0.767 544 L CB -1.126 40.967 42.059 0.057 0.000 0.890 544 L HN 0.304 nan 8.230 nan 0.000 0.434 545 K N 0.226 120.666 120.400 0.067 0.000 2.001 545 K HA -0.183 4.019 4.320 -0.197 0.000 0.214 545 K C 2.261 178.921 176.600 0.100 0.000 1.050 545 K CA 1.912 58.241 56.287 0.069 0.000 0.934 545 K CB -1.584 30.945 32.500 0.049 0.000 0.718 545 K HN 0.450 nan 8.250 nan 0.000 0.443 546 A N 0.404 123.276 122.820 0.087 0.000 1.903 546 A HA -0.113 4.089 4.320 -0.197 0.000 0.219 546 A C 2.629 180.282 177.584 0.114 0.000 1.191 546 A CA 2.283 54.371 52.037 0.086 0.000 0.638 546 A CB -0.793 18.246 19.000 0.065 0.000 0.823 546 A HN 0.422 nan 8.150 nan 0.000 0.451 547 V N -1.022 118.981 119.914 0.148 0.000 2.379 547 V HA -0.249 3.753 4.120 -0.197 0.000 0.245 547 V C 2.524 178.858 176.094 0.399 0.000 1.044 547 V CA 2.249 64.676 62.300 0.212 0.000 1.036 547 V CB -0.554 31.436 31.823 0.279 0.000 0.664 547 V HN 0.659 nan 8.190 nan 0.000 0.453 548 M N 0.455 120.280 119.600 0.375 0.000 2.195 548 M HA -0.206 4.156 4.480 -0.197 0.000 0.260 548 M C 1.568 178.105 176.300 0.395 0.000 1.066 548 M CA 1.790 57.336 55.300 0.409 0.000 1.089 548 M CB -0.764 31.948 32.600 0.186 0.000 1.377 548 M HN 0.323 nan 8.290 nan 0.000 0.411 549 D N 0.214 120.767 120.400 0.254 0.000 2.117 549 D HA -0.162 4.360 4.640 -0.197 0.000 0.197 549 D C 1.625 178.052 176.300 0.210 0.000 0.987 549 D CA 1.491 55.610 54.000 0.198 0.000 0.829 549 D CB -0.510 40.369 40.800 0.133 0.000 0.961 549 D HN 0.413 nan 8.370 nan 0.000 0.460 550 D N 0.093 120.587 120.400 0.156 0.000 2.104 550 D HA -0.151 4.371 4.640 -0.197 0.000 0.194 550 D C 2.131 178.589 176.300 0.263 0.000 0.994 550 D CA 0.673 54.764 54.000 0.151 0.000 0.830 550 D CB -0.591 40.131 40.800 -0.130 0.000 0.959 550 D HN 0.244 nan 8.370 nan 0.000 0.452 551 F N 1.835 121.909 119.950 0.208 0.000 2.025 551 F HA -0.240 4.170 4.527 -0.195 0.000 0.297 551 F C 2.707 178.660 175.800 0.254 0.000 1.132 551 F CA 1.278 59.396 58.000 0.196 0.000 1.191 551 F CB -1.039 38.032 39.000 0.118 0.000 0.963 551 F HN -0.072 nan 8.300 nan 0.000 0.481 552 A N 0.468 123.531 122.820 0.404 0.000 1.896 552 A HA -0.304 3.898 4.320 -0.197 0.000 0.220 552 A C 2.362 180.072 177.584 0.211 0.000 1.206 552 A CA 2.676 54.865 52.037 0.253 0.000 0.647 552 A CB -1.622 17.497 19.000 0.199 0.000 0.828 552 A HN 0.424 nan 8.150 nan 0.000 0.455 553 A N -2.269 120.676 122.820 0.207 0.000 2.084 553 A HA -0.013 4.189 4.320 -0.197 0.000 0.221 553 A C 1.757 179.282 177.584 -0.097 0.000 1.161 553 A CA 1.796 53.859 52.037 0.044 0.000 0.653 553 A CB -0.654 18.345 19.000 -0.002 0.000 0.802 553 A HN 0.552 nan 8.150 nan 0.000 0.457 554 F N -2.148 117.833 119.950 0.051 0.000 2.622 554 F HA 0.105 4.514 4.527 -0.197 0.000 0.288 554 F C 2.137 177.975 175.800 0.063 0.000 1.120 554 F CA 0.350 58.377 58.000 0.045 0.000 1.423 554 F CB -0.191 38.827 39.000 0.031 0.000 1.127 554 F HN -0.024 nan 8.300 nan 0.000 0.588 555 V N 1.431 121.494 119.914 0.248 0.000 2.343 555 V HA -0.292 3.710 4.120 -0.197 0.000 0.247 555 V C 2.294 178.446 176.094 0.097 0.000 1.051 555 V CA 2.365 64.762 62.300 0.161 0.000 1.036 555 V CB -0.881 31.023 31.823 0.135 0.000 0.654 555 V HN 0.430 nan 8.190 nan 0.000 0.451 556 E N 0.587 120.828 120.200 0.070 0.000 2.085 556 E HA -0.266 3.966 4.350 -0.197 0.000 0.194 556 E C 2.037 178.642 176.600 0.009 0.000 0.994 556 E CA 1.380 57.796 56.400 0.027 0.000 0.801 556 E CB -0.328 29.375 29.700 0.005 0.000 0.743 556 E HN 0.575 nan 8.360 nan 0.000 0.453 557 K N 0.651 121.046 120.400 -0.007 0.000 1.969 557 K HA -0.139 4.063 4.320 -0.197 0.000 0.220 557 K C 2.451 179.064 176.600 0.023 0.000 1.040 557 K CA 1.336 57.609 56.287 -0.023 0.000 0.981 557 K CB -0.928 31.525 32.500 -0.077 0.000 0.746 557 K HN 0.185 nan 8.250 nan 0.000 0.444 558 c N 1.454 120.092 118.600 0.063 0.000 2.369 558 c HA -0.265 4.187 4.570 -0.197 0.000 0.273 558 c C 2.953 177.074 174.090 0.052 0.000 1.172 558 c CA 1.065 57.437 56.329 0.072 0.000 1.791 558 c CB -1.041 41.534 42.510 0.108 0.000 2.086 558 c HN 0.638 nan 8.230 nan 0.000 0.459 559 c N 0.100 118.731 118.600 0.051 0.000 2.419 559 c HA 0.082 4.534 4.570 -0.197 0.000 0.283 559 c C 1.715 175.820 174.090 0.025 0.000 1.373 559 c CA 1.667 58.019 56.329 0.038 0.000 1.781 559 c CB -1.539 40.995 42.510 0.038 0.000 1.886 559 c HN 0.804 nan 8.230 nan 0.000 0.520 560 K N -0.732 119.680 120.400 0.020 0.000 2.954 560 K HA 0.707 4.909 4.320 -0.197 0.000 0.171 560 K C -0.476 176.129 176.600 0.008 0.000 1.079 560 K CA 0.566 56.860 56.287 0.011 0.000 0.908 560 K CB 0.501 33.004 32.500 0.006 0.000 1.142 560 K HN 0.404 nan 8.250 nan 0.000 0.613 561 A N 0.801 123.629 122.820 0.013 0.000 2.969 561 A HA 0.653 4.855 4.320 -0.197 0.000 0.303 561 A C 0.329 177.921 177.584 0.014 0.000 1.198 561 A CA 0.753 52.797 52.037 0.011 0.000 0.819 561 A CB -1.026 17.981 19.000 0.013 0.000 1.385 561 A HN 2.020 nan 8.150 nan 0.000 0.479 562 D N -0.011 120.395 120.400 0.011 0.000 4.413 562 D HA 0.231 4.753 4.640 -0.197 0.000 0.301 562 D C 0.342 176.651 176.300 0.015 0.000 2.385 562 D CA 1.407 55.414 54.000 0.012 0.000 1.073 562 D CB -1.038 39.768 40.800 0.011 0.000 1.107 562 D HN 2.144 nan 8.370 nan 0.000 1.283 563 D N 0.696 121.104 120.400 0.014 0.000 2.482 563 D HA 0.453 4.975 4.640 -0.197 0.000 0.244 563 D C 0.328 176.640 176.300 0.019 0.000 1.242 563 D CA 0.929 54.938 54.000 0.016 0.000 1.097 563 D CB -0.608 40.200 40.800 0.014 0.000 1.109 563 D HN 0.641 nan 8.370 nan 0.000 0.510 564 K N 0.857 121.270 120.400 0.022 0.000 2.572 564 K HA 0.537 4.739 4.320 -0.197 0.000 0.244 564 K C 0.730 177.349 176.600 0.031 0.000 0.965 564 K CA -0.212 56.091 56.287 0.027 0.000 0.943 564 K CB 1.808 34.326 32.500 0.031 0.000 1.154 564 K HN 0.352 nan 8.250 nan 0.000 0.447 565 E N 0.988 121.206 120.200 0.029 0.000 2.498 565 E HA -0.049 4.183 4.350 -0.197 0.000 0.203 565 E C 1.299 177.920 176.600 0.034 0.000 1.013 565 E CA 0.710 57.129 56.400 0.031 0.000 0.927 565 E CB 0.257 29.972 29.700 0.026 0.000 1.012 565 E HN 0.637 nan 8.360 nan 0.000 0.482 566 T N -2.681 111.894 114.554 0.034 0.000 3.037 566 T HA -0.073 4.159 4.350 -0.197 0.000 0.252 566 T C 2.240 176.966 174.700 0.044 0.000 1.073 566 T CA 0.976 63.097 62.100 0.036 0.000 1.091 566 T CB -1.100 67.786 68.868 0.030 0.000 0.935 566 T HN 0.742 nan 8.240 nan 0.000 0.488 567 c N 0.361 118.989 118.600 0.048 0.000 2.409 567 c HA 0.179 4.631 4.570 -0.197 0.000 0.284 567 c C 2.673 176.807 174.090 0.074 0.000 1.354 567 c CA 0.223 56.589 56.329 0.061 0.000 1.787 567 c CB -2.431 40.117 42.510 0.063 0.000 1.900 567 c HN 0.511 nan 8.230 nan 0.000 0.520 568 F N 0.852 120.842 119.950 0.066 0.000 2.293 568 F HA 0.416 4.825 4.527 -0.197 0.000 0.300 568 F C 2.570 178.412 175.800 0.069 0.000 1.086 568 F CA 1.481 59.524 58.000 0.072 0.000 1.375 568 F CB -1.084 37.953 39.000 0.061 0.000 1.045 568 F HN 0.590 nan 8.300 nan 0.000 0.516 569 A N -0.432 122.423 122.820 0.059 0.000 2.014 569 A HA 0.365 4.567 4.320 -0.197 0.000 0.210 569 A C 1.961 179.575 177.584 0.050 0.000 1.188 569 A CA 1.522 53.592 52.037 0.054 0.000 0.731 569 A CB -1.056 17.971 19.000 0.044 0.000 0.858 569 A HN 0.676 nan 8.150 nan 0.000 0.464 570 E N -0.513 119.718 120.200 0.051 0.000 2.030 570 E HA 0.002 4.234 4.350 -0.197 0.000 0.189 570 E C 2.021 178.659 176.600 0.063 0.000 0.974 570 E CA 1.777 58.207 56.400 0.049 0.000 0.807 570 E CB -1.276 28.453 29.700 0.048 0.000 0.771 570 E HN 0.778 nan 8.360 nan 0.000 0.451 571 E N 0.552 120.807 120.200 0.092 0.000 2.204 571 E HA 0.082 4.314 4.350 -0.197 0.000 0.195 571 E C 2.425 179.066 176.600 0.069 0.000 0.990 571 E CA 1.318 57.807 56.400 0.148 0.000 0.821 571 E CB -1.079 28.750 29.700 0.215 0.000 0.750 571 E HN 0.602 nan 8.360 nan 0.000 0.477 572 G N -0.150 108.683 108.800 0.055 0.000 2.511 572 G HA2 0.058 3.900 3.960 -0.197 0.000 0.217 572 G HA3 0.058 3.900 3.960 -0.197 0.000 0.217 572 G C 1.915 176.816 174.900 0.002 0.000 1.133 572 G CA 1.601 46.720 45.100 0.031 0.000 0.792 572 G HN 0.791 nan 8.290 nan 0.000 0.539 573 K N 0.440 120.842 120.400 0.005 0.000 2.062 573 K HA 0.182 4.384 4.320 -0.197 0.000 0.205 573 K C 2.579 179.143 176.600 -0.059 0.000 1.051 573 K CA 1.911 58.190 56.287 -0.013 0.000 0.941 573 K CB -1.126 31.375 32.500 0.002 0.000 0.719 573 K HN 0.532 nan 8.250 nan 0.000 0.440 574 K N 0.519 120.884 120.400 -0.058 0.000 2.209 574 K HA 0.340 4.542 4.320 -0.197 0.000 0.204 574 K C 2.722 179.182 176.600 -0.234 0.000 1.048 574 K CA 1.800 58.036 56.287 -0.085 0.000 0.940 574 K CB -1.612 30.898 32.500 0.016 0.000 0.729 574 K HN 0.738 nan 8.250 nan 0.000 0.451 575 L N 0.187 121.217 121.223 -0.321 0.000 1.961 575 L HA 0.025 4.247 4.340 -0.197 0.000 0.209 575 L C 2.822 179.531 176.870 -0.268 0.000 1.075 575 L CA 2.248 56.806 54.840 -0.470 0.000 0.749 575 L CB -1.501 40.330 42.059 -0.380 0.000 0.890 575 L HN 0.299 nan 8.230 nan 0.000 0.433 576 V N 0.522 120.364 119.914 -0.120 0.000 2.380 576 V HA -0.314 3.688 4.120 -0.197 0.000 0.251 576 V C 3.151 179.121 176.094 -0.208 0.000 1.063 576 V CA 2.058 64.287 62.300 -0.117 0.000 1.055 576 V CB -1.531 30.241 31.823 -0.086 0.000 0.657 576 V HN 0.863 nan 8.190 nan 0.000 0.455 577 A N 0.217 122.932 122.820 -0.176 0.000 1.851 577 A HA -0.180 4.022 4.320 -0.197 0.000 0.216 577 A C 2.416 179.911 177.584 -0.148 0.000 1.195 577 A CA 2.430 54.373 52.037 -0.157 0.000 0.622 577 A CB -0.957 17.975 19.000 -0.113 0.000 0.831 577 A HN 0.629 nan 8.150 nan 0.000 0.444 578 A N -1.004 121.721 122.820 -0.158 0.000 2.067 578 A HA 0.041 4.243 4.320 -0.197 0.000 0.219 578 A C 2.356 179.858 177.584 -0.136 0.000 1.158 578 A CA 1.835 53.788 52.037 -0.141 0.000 0.661 578 A CB -0.583 18.315 19.000 -0.170 0.000 0.801 578 A HN 0.458 nan 8.150 nan 0.000 0.452 579 S N -1.081 114.524 115.700 -0.157 0.000 2.371 579 S HA -0.031 4.321 4.470 -0.197 0.000 0.224 579 S C 2.529 177.084 174.600 -0.076 0.000 1.029 579 S CA 1.415 59.565 58.200 -0.084 0.000 0.978 579 S CB -0.460 62.727 63.200 -0.022 0.000 0.833 579 S HN 0.864 nan 8.310 nan 0.000 0.466 580 Q N 0.917 120.621 119.800 -0.161 0.000 2.291 580 Q HA 0.199 4.421 4.340 -0.197 0.000 0.206 580 Q C 2.205 178.154 176.000 -0.085 0.000 0.976 580 Q CA 1.514 57.218 55.803 -0.166 0.000 0.875 580 Q CB -1.115 27.464 28.738 -0.265 0.000 0.927 580 Q HN 0.659 nan 8.270 nan 0.000 0.450 581 A N 1.044 123.819 122.820 -0.076 0.000 1.832 581 A HA 0.473 4.675 4.320 -0.197 0.000 0.214 581 A C 2.071 179.642 177.584 -0.021 0.000 1.200 581 A CA 1.107 53.115 52.037 -0.048 0.000 0.610 581 A CB -1.166 17.804 19.000 -0.050 0.000 0.842 581 A HN 1.253 nan 8.150 nan 0.000 0.444 582 A N 0.000 122.814 122.820 -0.010 0.000 2.254 582 A HA 0.000 4.202 4.320 -0.197 0.000 0.244 582 A CA 0.000 52.046 52.037 0.014 0.000 0.836 582 A CB 0.000 19.019 19.000 0.031 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486