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 1e7b_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKCcKADDK ETCFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.655 174.600 0.092 0.000 1.055 5 S CA 0.000 58.232 58.200 0.053 0.000 1.107 5 S CB 0.000 63.224 63.200 0.040 0.000 0.593 6 E N 2.986 123.243 120.200 0.096 0.000 2.046 6 E HA 0.009 4.186 4.350 -0.288 0.000 0.190 6 E C 1.792 178.486 176.600 0.157 0.000 0.982 6 E CA 1.923 58.411 56.400 0.147 0.000 0.800 6 E CB -0.215 29.545 29.700 0.100 0.000 0.756 6 E HN 0.527 nan 8.360 nan 0.000 0.449 7 V N 1.006 120.981 119.914 0.102 0.000 2.392 7 V HA -0.261 3.686 4.120 -0.288 0.000 0.249 7 V C 2.293 178.493 176.094 0.177 0.000 1.059 7 V CA 1.845 64.238 62.300 0.154 0.000 1.051 7 V CB -0.938 30.886 31.823 0.002 0.000 0.658 7 V HN 0.402 nan 8.190 nan 0.000 0.455 8 A N -1.289 121.587 122.820 0.094 0.000 2.066 8 A HA -0.200 3.947 4.320 -0.288 0.000 0.218 8 A C 2.159 179.863 177.584 0.201 0.000 1.157 8 A CA 1.531 53.610 52.037 0.071 0.000 0.670 8 A CB -0.802 18.204 19.000 0.010 0.000 0.804 8 A HN 0.777 nan 8.150 nan 0.000 0.453 9 H N -1.182 117.952 119.070 0.106 0.000 2.372 9 H HA -0.008 4.376 4.556 -0.287 0.000 0.301 9 H C 2.068 177.486 175.328 0.150 0.000 1.065 9 H CA 0.647 56.760 56.048 0.107 0.000 1.364 9 H CB 0.096 29.904 29.762 0.077 0.000 1.406 9 H HN 0.224 nan 8.280 nan 0.000 0.521 10 R N 0.236 120.801 120.500 0.109 0.000 2.115 10 R HA -0.109 4.058 4.340 -0.288 0.000 0.226 10 R C 2.179 178.633 176.300 0.257 0.000 1.100 10 R CA 0.650 56.794 56.100 0.073 0.000 0.980 10 R CB -1.248 29.134 30.300 0.136 0.000 0.875 10 R HN 0.343 nan 8.270 nan 0.000 0.445 11 F N 2.333 122.384 119.950 0.169 0.000 2.046 11 F HA -0.306 4.049 4.527 -0.287 0.000 0.297 11 F C 2.712 178.534 175.800 0.037 0.000 1.123 11 F CA 2.870 60.882 58.000 0.019 0.000 1.199 11 F CB -0.476 38.388 39.000 -0.228 0.000 0.972 11 F HN 0.095 nan 8.300 nan 0.000 0.474 12 K N -0.056 120.552 120.400 0.346 0.000 2.113 12 K HA -0.203 3.945 4.320 -0.288 0.000 0.208 12 K C 1.803 178.480 176.600 0.128 0.000 1.047 12 K CA 2.105 58.533 56.287 0.234 0.000 0.928 12 K CB -1.366 31.258 32.500 0.207 0.000 0.716 12 K HN 0.477 nan 8.250 nan 0.000 0.446 13 D N 0.331 120.807 120.400 0.125 0.000 2.091 13 D HA -0.030 4.437 4.640 -0.288 0.000 0.199 13 D C 2.053 178.374 176.300 0.034 0.000 0.980 13 D CA 1.584 55.633 54.000 0.081 0.000 0.831 13 D CB -0.004 40.840 40.800 0.072 0.000 0.987 13 D HN 0.464 nan 8.370 nan 0.000 0.460 14 L N -0.158 121.075 121.223 0.016 0.000 2.162 14 L HA 0.221 4.388 4.340 -0.288 0.000 0.205 14 L C 1.347 178.176 176.870 -0.068 0.000 1.086 14 L CA 0.482 55.316 54.840 -0.009 0.000 0.778 14 L CB -0.589 41.480 42.059 0.018 0.000 0.928 14 L HN 0.068 nan 8.230 nan 0.000 0.446 15 G N 0.477 109.166 108.800 -0.186 0.000 2.662 15 G HA2 -0.231 3.556 3.960 -0.288 0.000 0.686 15 G HA3 -0.231 3.556 3.960 -0.288 0.000 0.686 15 G C 0.174 174.745 174.900 -0.550 0.000 1.271 15 G CA 0.023 44.936 45.100 -0.312 0.000 0.816 15 G HN 0.220 nan 8.290 nan 0.000 0.608 16 E N -0.359 119.462 120.200 -0.632 0.000 2.070 16 E HA -0.197 3.980 4.350 -0.288 0.000 0.197 16 E C 2.001 178.517 176.600 -0.140 0.000 1.004 16 E CA 2.039 58.143 56.400 -0.494 0.000 0.805 16 E CB -0.065 29.580 29.700 -0.091 0.000 0.744 16 E HN 0.635 nan 8.360 nan 0.000 0.451 17 E N -0.084 120.074 120.200 -0.071 0.000 2.000 17 E HA -0.227 3.950 4.350 -0.288 0.000 0.199 17 E C 1.886 178.503 176.600 0.028 0.000 1.011 17 E CA 1.459 57.861 56.400 0.004 0.000 0.836 17 E CB -0.093 29.611 29.700 0.007 0.000 0.778 17 E HN 0.226 nan 8.360 nan 0.000 0.462 18 N N 0.008 118.713 118.700 0.009 0.000 2.364 18 N HA -0.155 4.412 4.740 -0.288 0.000 0.183 18 N C 1.477 177.012 175.510 0.041 0.000 1.022 18 N CA 0.747 53.808 53.050 0.019 0.000 0.883 18 N CB -0.404 38.087 38.487 0.005 0.000 0.965 18 N HN 0.235 nan 8.380 nan 0.000 0.438 19 F N 1.685 121.556 119.950 -0.131 0.000 2.163 19 F HA 0.019 4.376 4.527 -0.285 0.000 0.297 19 F C 1.998 177.793 175.800 -0.007 0.000 1.094 19 F CA 1.198 59.139 58.000 -0.099 0.000 1.290 19 F CB -0.060 38.789 39.000 -0.251 0.000 1.017 19 F HN -0.151 nan 8.300 nan 0.000 0.483 20 K N 0.145 120.754 120.400 0.348 0.000 2.097 20 K HA -0.114 4.033 4.320 -0.288 0.000 0.206 20 K C 2.276 178.941 176.600 0.108 0.000 1.049 20 K CA 1.111 57.558 56.287 0.266 0.000 0.933 20 K CB -0.426 32.192 32.500 0.196 0.000 0.717 20 K HN 0.371 nan 8.250 nan 0.000 0.442 21 A N 1.252 124.112 122.820 0.066 0.000 1.854 21 A HA -0.104 4.043 4.320 -0.288 0.000 0.214 21 A C 2.043 179.619 177.584 -0.013 0.000 1.192 21 A CA 1.056 53.112 52.037 0.031 0.000 0.611 21 A CB -0.663 18.352 19.000 0.026 0.000 0.832 21 A HN 0.176 nan 8.150 nan 0.000 0.442 22 L N -0.206 120.984 121.223 -0.054 0.000 2.187 22 L HA -0.165 4.002 4.340 -0.288 0.000 0.213 22 L C 2.243 179.047 176.870 -0.109 0.000 1.100 22 L CA 0.825 55.601 54.840 -0.107 0.000 0.765 22 L CB -0.357 41.614 42.059 -0.147 0.000 0.904 22 L HN 0.264 nan 8.230 nan 0.000 0.437 23 V N -0.707 119.165 119.914 -0.070 0.000 2.878 23 V HA -0.155 3.793 4.120 -0.288 0.000 0.250 23 V C 2.058 178.340 176.094 0.314 0.000 1.075 23 V CA 0.837 63.218 62.300 0.133 0.000 1.096 23 V CB 0.223 32.121 31.823 0.124 0.000 0.724 23 V HN 0.324 nan 8.190 nan 0.000 0.467 24 L N 0.095 121.406 121.223 0.148 0.000 2.072 24 L HA 0.010 4.177 4.340 -0.288 0.000 0.205 24 L C 2.107 179.026 176.870 0.082 0.000 1.079 24 L CA 1.795 56.719 54.840 0.139 0.000 0.752 24 L CB -0.418 41.695 42.059 0.090 0.000 0.906 24 L HN 0.191 nan 8.230 nan 0.000 0.436 25 I N 0.127 120.691 120.570 -0.009 0.000 2.179 25 I HA -0.300 3.697 4.170 -0.288 0.000 0.242 25 I C 2.647 178.672 176.117 -0.154 0.000 1.088 25 I CA 1.290 62.525 61.300 -0.108 0.000 1.357 25 I CB -0.684 37.235 38.000 -0.135 0.000 1.051 25 I HN 0.390 nan 8.210 nan 0.000 0.409 26 A N 0.484 123.212 122.820 -0.153 0.000 1.908 26 A HA -0.215 3.933 4.320 -0.288 0.000 0.218 26 A C 2.115 179.511 177.584 -0.313 0.000 1.181 26 A CA 1.608 53.440 52.037 -0.342 0.000 0.627 26 A CB -0.962 17.795 19.000 -0.404 0.000 0.818 26 A HN 0.343 nan 8.150 nan 0.000 0.445 27 F N -0.073 119.822 119.950 -0.091 0.000 2.163 27 F HA -0.014 4.340 4.527 -0.288 0.000 0.297 27 F C 2.762 178.487 175.800 -0.125 0.000 1.094 27 F CA 1.052 59.082 58.000 0.049 0.000 1.290 27 F CB -0.317 38.811 39.000 0.213 0.000 1.017 27 F HN 0.256 nan 8.300 nan 0.000 0.483 28 A N -0.598 122.125 122.820 -0.161 0.000 1.930 28 A HA -0.211 3.936 4.320 -0.288 0.000 0.217 28 A C 2.071 179.536 177.584 -0.198 0.000 1.175 28 A CA 1.498 53.344 52.037 -0.319 0.000 0.627 28 A CB -0.686 18.151 19.000 -0.272 0.000 0.815 28 A HN 0.442 nan 8.150 nan 0.000 0.443 29 Q N -2.112 117.549 119.800 -0.232 0.000 2.297 29 Q HA -0.107 4.060 4.340 -0.288 0.000 0.204 29 Q C 1.641 177.521 176.000 -0.198 0.000 0.962 29 Q CA 1.099 56.742 55.803 -0.267 0.000 0.879 29 Q CB -0.120 28.384 28.738 -0.389 0.000 0.947 29 Q HN 0.796 nan 8.270 nan 0.000 0.462 30 Y N -0.072 120.133 120.300 -0.157 0.000 2.201 30 Y HA 0.056 4.436 4.550 -0.284 0.000 0.292 30 Y C 1.006 176.882 175.900 -0.041 0.000 1.119 30 Y CA 0.480 58.481 58.100 -0.164 0.000 1.127 30 Y CB 0.318 38.563 38.460 -0.359 0.000 1.019 30 Y HN -0.054 nan 8.280 nan 0.000 0.514 31 L N 1.557 122.921 121.223 0.235 0.000 2.589 31 L HA 0.195 4.362 4.340 -0.288 0.000 0.244 31 L C 0.895 177.923 176.870 0.264 0.000 1.159 31 L CA -0.089 54.906 54.840 0.257 0.000 1.074 31 L CB 0.494 42.751 42.059 0.331 0.000 1.391 31 L HN 0.220 nan 8.230 nan 0.000 0.423 32 Q N -0.601 119.277 119.800 0.129 0.000 2.181 32 Q HA -0.194 3.973 4.340 -0.288 0.000 0.205 32 Q C 1.783 177.836 176.000 0.089 0.000 0.980 32 Q CA 1.487 57.319 55.803 0.047 0.000 0.862 32 Q CB 0.008 28.746 28.738 -0.001 0.000 0.905 32 Q HN 0.542 nan 8.270 nan 0.000 0.429 33 Q N -0.923 118.955 119.800 0.130 0.000 2.403 33 Q HA 0.070 4.237 4.340 -0.288 0.000 0.203 33 Q C 0.538 176.648 176.000 0.183 0.000 0.932 33 Q CA -0.017 55.862 55.803 0.127 0.000 0.945 33 Q CB -0.036 28.758 28.738 0.092 0.000 1.045 33 Q HN 0.450 nan 8.270 nan 0.000 0.511 34 C N 2.583 122.046 119.300 0.272 0.000 2.514 34 C HA 0.406 4.693 4.460 -0.288 0.000 0.392 34 C C -2.237 172.982 174.990 0.382 0.000 1.294 34 C CA -2.319 56.840 59.018 0.235 0.000 1.957 34 C CB 0.234 28.022 27.740 0.080 0.000 2.541 34 C HN 0.335 nan 8.230 nan 0.000 0.569 35 P HA 0.010 nan 4.420 nan 0.000 0.267 35 P C 0.567 177.923 177.300 0.094 0.000 1.200 35 P CA 0.080 63.298 63.100 0.195 0.000 0.772 35 P CB 0.210 31.956 31.700 0.077 0.000 0.855 36 F N 3.503 123.211 119.950 -0.405 0.000 2.091 36 F HA -0.271 4.083 4.527 -0.287 0.000 0.299 36 F C 1.860 177.471 175.800 -0.314 0.000 1.103 36 F CA 1.902 59.421 58.000 -0.802 0.000 1.228 36 F CB -0.643 37.870 39.000 -0.812 0.000 0.984 36 F HN 0.312 nan 8.300 nan 0.000 0.477 37 E N 0.651 120.639 120.200 -0.354 0.000 2.035 37 E HA -0.274 3.903 4.350 -0.288 0.000 0.204 37 E C 1.824 178.235 176.600 -0.316 0.000 1.025 37 E CA 1.868 58.033 56.400 -0.391 0.000 0.835 37 E CB -1.318 28.270 29.700 -0.186 0.000 0.764 37 E HN 0.444 nan 8.360 nan 0.000 0.457 38 D N 0.579 120.852 120.400 -0.211 0.000 2.133 38 D HA -0.183 4.284 4.640 -0.288 0.000 0.195 38 D C 1.965 178.122 176.300 -0.239 0.000 0.997 38 D CA 1.292 55.170 54.000 -0.204 0.000 0.840 38 D CB -0.665 40.018 40.800 -0.194 0.000 0.947 38 D HN 0.338 nan 8.370 nan 0.000 0.452 39 H N 0.164 119.140 119.070 -0.156 0.000 2.321 39 H HA -0.019 4.366 4.556 -0.285 0.000 0.300 39 H C 2.419 177.577 175.328 -0.283 0.000 1.087 39 H CA 0.820 56.777 56.048 -0.152 0.000 1.319 39 H CB -0.356 29.413 29.762 0.012 0.000 1.379 39 H HN 0.034 nan 8.280 nan 0.000 0.501 40 V N 1.417 121.182 119.914 -0.248 0.000 2.332 40 V HA -0.266 3.681 4.120 -0.288 0.000 0.248 40 V C 2.625 178.582 176.094 -0.229 0.000 1.055 40 V CA 2.011 64.129 62.300 -0.303 0.000 1.038 40 V CB -0.462 31.041 31.823 -0.533 0.000 0.651 40 V HN 0.354 nan 8.190 nan 0.000 0.450 41 K N 0.304 120.571 120.400 -0.223 0.000 1.991 41 K HA -0.184 3.963 4.320 -0.288 0.000 0.212 41 K C 2.163 178.666 176.600 -0.162 0.000 1.049 41 K CA 1.910 58.097 56.287 -0.166 0.000 0.932 41 K CB -0.316 32.096 32.500 -0.146 0.000 0.717 41 K HN 0.426 nan 8.250 nan 0.000 0.441 42 L N 0.997 122.093 121.223 -0.212 0.000 2.079 42 L HA -0.192 3.976 4.340 -0.288 0.000 0.210 42 L C 2.529 179.196 176.870 -0.338 0.000 1.081 42 L CA 0.970 55.656 54.840 -0.257 0.000 0.752 42 L CB -0.705 41.148 42.059 -0.343 0.000 0.896 42 L HN 0.071 nan 8.230 nan 0.000 0.433 43 V N 0.290 119.960 119.914 -0.407 0.000 2.287 43 V HA -0.277 3.670 4.120 -0.288 0.000 0.248 43 V C 2.370 178.425 176.094 -0.066 0.000 1.053 43 V CA 1.944 64.079 62.300 -0.274 0.000 1.027 43 V CB -0.670 31.049 31.823 -0.175 0.000 0.646 43 V HN 0.490 nan 8.190 nan 0.000 0.447 44 N N 0.171 118.832 118.700 -0.066 0.000 2.058 44 N HA -0.166 4.401 4.740 -0.288 0.000 0.191 44 N C 1.843 177.362 175.510 0.016 0.000 1.037 44 N CA 1.657 54.702 53.050 -0.009 0.000 0.848 44 N CB -0.311 38.154 38.487 -0.036 0.000 1.021 44 N HN 0.620 nan 8.380 nan 0.000 0.422 45 E N 0.449 120.643 120.200 -0.010 0.000 2.085 45 E HA -0.109 4.068 4.350 -0.288 0.000 0.194 45 E C 1.959 178.613 176.600 0.091 0.000 0.994 45 E CA 0.931 57.346 56.400 0.026 0.000 0.801 45 E CB -0.079 29.625 29.700 0.006 0.000 0.743 45 E HN 0.083 nan 8.360 nan 0.000 0.453 46 V N 1.424 121.379 119.914 0.069 0.000 2.626 46 V HA -0.203 3.744 4.120 -0.288 0.000 0.252 46 V C 2.158 178.357 176.094 0.175 0.000 1.067 46 V CA 2.020 64.381 62.300 0.103 0.000 1.081 46 V CB -0.568 31.276 31.823 0.035 0.000 0.686 46 V HN 0.351 nan 8.190 nan 0.000 0.468 47 T N -0.508 114.158 114.554 0.186 0.000 2.937 47 T HA -0.042 4.135 4.350 -0.288 0.000 0.260 47 T C 2.194 176.939 174.700 0.074 0.000 1.051 47 T CA 1.377 63.593 62.100 0.193 0.000 1.141 47 T CB -0.270 68.726 68.868 0.213 0.000 0.879 47 T HN 0.714 nan 8.240 nan 0.000 0.459 48 E N 1.920 122.167 120.200 0.078 0.000 2.031 48 E HA -0.145 4.032 4.350 -0.288 0.000 0.193 48 E C 1.763 178.412 176.600 0.083 0.000 0.994 48 E CA 1.395 57.821 56.400 0.043 0.000 0.800 48 E CB -1.218 28.500 29.700 0.031 0.000 0.752 48 E HN 0.422 nan 8.360 nan 0.000 0.447 49 F N 1.991 121.905 119.950 -0.060 0.000 2.063 49 F HA -0.124 4.231 4.527 -0.287 0.000 0.298 49 F C 2.693 178.428 175.800 -0.108 0.000 1.109 49 F CA 1.647 59.608 58.000 -0.064 0.000 1.212 49 F CB -1.119 37.861 39.000 -0.035 0.000 0.973 49 F HN 0.289 nan 8.300 nan 0.000 0.480 50 A N 0.575 123.432 122.820 0.061 0.000 1.884 50 A HA -0.269 3.879 4.320 -0.288 0.000 0.219 50 A C 2.274 179.648 177.584 -0.351 0.000 1.197 50 A CA 2.080 53.988 52.037 -0.214 0.000 0.637 50 A CB -0.876 17.923 19.000 -0.335 0.000 0.827 50 A HN 0.339 nan 8.150 nan 0.000 0.450 51 K N -0.377 119.781 120.400 -0.403 0.000 2.442 51 K HA -0.102 4.045 4.320 -0.288 0.000 0.198 51 K C 2.076 178.539 176.600 -0.228 0.000 1.044 51 K CA 1.585 57.599 56.287 -0.455 0.000 0.948 51 K CB -0.461 31.842 32.500 -0.328 0.000 0.762 51 K HN 0.842 nan 8.250 nan 0.000 0.472 52 T N -2.730 111.767 114.554 -0.095 0.000 2.901 52 T HA -0.072 4.106 4.350 -0.288 0.000 0.252 52 T C 2.368 177.051 174.700 -0.029 0.000 1.035 52 T CA 0.816 62.889 62.100 -0.044 0.000 1.142 52 T CB -0.613 68.251 68.868 -0.006 0.000 0.869 52 T HN 0.153 nan 8.240 nan 0.000 0.442 53 c N 2.030 120.644 118.600 0.023 0.000 2.411 53 c HA 0.005 4.402 4.570 -0.288 0.000 0.279 53 c C 2.866 176.928 174.090 -0.048 0.000 1.288 53 c CA 0.437 56.780 56.329 0.023 0.000 1.764 53 c CB -1.504 41.030 42.510 0.041 0.000 1.974 53 c HN 0.496 nan 8.230 nan 0.000 0.498 54 V N 1.866 121.699 119.914 -0.134 0.000 2.287 54 V HA -0.255 3.692 4.120 -0.288 0.000 0.248 54 V C 2.716 178.763 176.094 -0.077 0.000 1.053 54 V CA 2.420 64.635 62.300 -0.141 0.000 1.027 54 V CB -1.516 30.144 31.823 -0.271 0.000 0.646 54 V HN 0.622 nan 8.190 nan 0.000 0.447 55 A N 0.232 123.006 122.820 -0.077 0.000 1.826 55 A HA 0.014 4.161 4.320 -0.288 0.000 0.214 55 A C 1.578 179.146 177.584 -0.027 0.000 1.212 55 A CA 1.521 53.530 52.037 -0.047 0.000 0.605 55 A CB -1.029 17.942 19.000 -0.048 0.000 0.861 55 A HN 0.625 nan 8.150 nan 0.000 0.447 56 D N 0.981 121.369 120.400 -0.020 0.000 2.493 56 D HA 0.482 4.949 4.640 -0.288 0.000 0.235 56 D C -0.416 175.891 176.300 0.011 0.000 1.117 56 D CA -0.453 53.544 54.000 -0.005 0.000 0.930 56 D CB -0.387 40.409 40.800 -0.007 0.000 1.010 56 D HN 0.577 nan 8.370 nan 0.000 0.514 57 E N 0.574 120.781 120.200 0.011 0.000 2.614 57 E HA 0.408 4.585 4.350 -0.288 0.000 0.321 57 E C 0.912 177.532 176.600 0.033 0.000 1.354 57 E CA 0.505 56.919 56.400 0.024 0.000 1.469 57 E CB -0.070 29.639 29.700 0.015 0.000 1.197 57 E HN 0.655 nan 8.360 nan 0.000 0.497 58 S N -0.010 115.715 115.700 0.043 0.000 2.585 58 S HA 0.344 4.641 4.470 -0.288 0.000 0.201 58 S C 1.114 175.740 174.600 0.043 0.000 0.826 58 S CA 0.194 58.419 58.200 0.042 0.000 1.552 58 S CB -0.190 63.025 63.200 0.026 0.000 1.270 58 S HN 0.290 nan 8.310 nan 0.000 0.586 59 A N 1.510 124.358 122.820 0.047 0.000 1.836 59 A HA 0.376 4.523 4.320 -0.288 0.000 0.212 59 A C 2.069 179.663 177.584 0.015 0.000 1.243 59 A CA 2.487 54.537 52.037 0.021 0.000 0.620 59 A CB -1.330 17.670 19.000 -0.000 0.000 0.889 59 A HN 1.236 nan 8.150 nan 0.000 0.463 60 E N -0.935 119.266 120.200 0.002 0.000 2.004 60 E HA -0.054 4.123 4.350 -0.288 0.000 0.192 60 E C 1.201 177.852 176.600 0.085 0.000 0.987 60 E CA 1.689 58.065 56.400 -0.041 0.000 0.822 60 E CB -0.552 28.963 29.700 -0.308 0.000 0.779 60 E HN 0.680 nan 8.360 nan 0.000 0.458 61 N N -2.336 116.525 118.700 0.269 0.000 2.110 61 N HA 0.129 4.696 4.740 -0.288 0.000 0.230 61 N C 0.728 176.396 175.510 0.262 0.000 1.353 61 N CA 0.246 53.451 53.050 0.258 0.000 0.807 61 N CB 0.188 38.840 38.487 0.276 0.000 1.244 61 N HN 0.399 nan 8.380 nan 0.000 0.504 62 c N 1.344 120.131 118.600 0.312 0.000 2.393 62 c HA -0.134 4.263 4.570 -0.288 0.000 0.292 62 c C 1.346 175.478 174.090 0.072 0.000 1.347 62 c CA 0.894 57.315 56.329 0.152 0.000 1.810 62 c CB -1.180 41.438 42.510 0.179 0.000 1.899 62 c HN 0.537 nan 8.230 nan 0.000 0.532 63 D N -0.298 120.154 120.400 0.087 0.000 2.870 63 D HA 0.150 4.617 4.640 -0.288 0.000 0.241 63 D C 0.193 176.530 176.300 0.062 0.000 1.234 63 D CA 0.309 54.347 54.000 0.063 0.000 0.844 63 D CB 0.078 40.914 40.800 0.059 0.000 1.051 63 D HN 0.221 nan 8.370 nan 0.000 0.469 64 K N -0.098 120.334 120.400 0.053 0.000 2.306 64 K HA 0.407 4.554 4.320 -0.288 0.000 0.236 64 K C -0.537 176.095 176.600 0.052 0.000 1.013 64 K CA -0.947 55.374 56.287 0.056 0.000 0.857 64 K CB 1.833 34.369 32.500 0.060 0.000 1.214 64 K HN 0.063 nan 8.250 nan 0.000 0.449 65 S N 1.297 117.041 115.700 0.072 0.000 2.475 65 S HA 0.221 4.518 4.470 -0.288 0.000 0.281 65 S C 1.222 175.884 174.600 0.103 0.000 1.198 65 S CA -0.493 57.752 58.200 0.075 0.000 1.063 65 S CB 0.268 63.525 63.200 0.094 0.000 0.972 65 S HN 0.541 nan 8.310 nan 0.000 0.486 66 L N 2.096 123.374 121.223 0.092 0.000 2.085 66 L HA -0.238 3.929 4.340 -0.288 0.000 0.218 66 L C 2.592 179.719 176.870 0.429 0.000 1.080 66 L CA 1.747 56.741 54.840 0.257 0.000 0.776 66 L CB -0.977 41.239 42.059 0.263 0.000 0.891 66 L HN 0.765 nan 8.230 nan 0.000 0.437 67 H N -0.262 118.965 119.070 0.261 0.000 2.319 67 H HA -0.134 4.248 4.556 -0.290 0.000 0.299 67 H C 2.418 177.877 175.328 0.219 0.000 1.092 67 H CA 2.025 58.205 56.048 0.221 0.000 1.302 67 H CB -0.703 29.142 29.762 0.140 0.000 1.373 67 H HN 0.412 nan 8.280 nan 0.000 0.497 68 T N 0.580 115.310 114.554 0.294 0.000 2.821 68 T HA -0.047 4.130 4.350 -0.288 0.000 0.267 68 T C 2.743 177.553 174.700 0.183 0.000 1.046 68 T CA 1.443 63.666 62.100 0.205 0.000 1.139 68 T CB -0.861 68.096 68.868 0.148 0.000 0.871 68 T HN 0.278 nan 8.240 nan 0.000 0.454 69 L N 0.390 121.706 121.223 0.155 0.000 2.005 69 L HA 0.256 4.423 4.340 -0.288 0.000 0.207 69 L C 2.540 179.457 176.870 0.078 0.000 1.072 69 L CA 1.735 56.613 54.840 0.063 0.000 0.744 69 L CB -2.065 39.927 42.059 -0.111 0.000 0.895 69 L HN 0.283 nan 8.230 nan 0.000 0.433 70 F N 1.059 121.069 119.950 0.099 0.000 2.069 70 F HA -0.020 4.337 4.527 -0.283 0.000 0.298 70 F C 2.643 178.443 175.800 -0.000 0.000 1.113 70 F CA 1.880 59.902 58.000 0.037 0.000 1.214 70 F CB -1.116 37.843 39.000 -0.068 0.000 0.978 70 F HN 0.242 nan 8.300 nan 0.000 0.474 71 G N -0.289 108.668 108.800 0.262 0.000 2.491 71 G HA2 -0.373 3.414 3.960 -0.288 0.000 0.218 71 G HA3 -0.373 3.414 3.960 -0.288 0.000 0.218 71 G C 1.467 176.498 174.900 0.218 0.000 1.180 71 G CA 1.614 46.860 45.100 0.243 0.000 0.774 71 G HN 0.427 nan 8.290 nan 0.000 0.562 72 D N 0.380 120.892 120.400 0.187 0.000 2.123 72 D HA -0.141 4.326 4.640 -0.288 0.000 0.196 72 D C 2.496 178.891 176.300 0.159 0.000 0.992 72 D CA 2.247 56.340 54.000 0.155 0.000 0.833 72 D CB -0.531 40.349 40.800 0.134 0.000 0.954 72 D HN 0.358 nan 8.370 nan 0.000 0.455 73 K N -0.324 120.189 120.400 0.189 0.000 1.991 73 K HA -0.034 4.113 4.320 -0.288 0.000 0.212 73 K C 2.599 179.344 176.600 0.240 0.000 1.049 73 K CA 1.144 57.567 56.287 0.227 0.000 0.932 73 K CB -1.082 31.626 32.500 0.348 0.000 0.717 73 K HN 0.610 nan 8.250 nan 0.000 0.441 74 L N 0.241 121.628 121.223 0.273 0.000 2.042 74 L HA -0.199 3.969 4.340 -0.288 0.000 0.210 74 L C 2.606 179.565 176.870 0.148 0.000 1.076 74 L CA 1.203 56.168 54.840 0.208 0.000 0.749 74 L CB -0.625 41.436 42.059 0.003 0.000 0.893 74 L HN 0.351 nan 8.230 nan 0.000 0.432 75 c N 0.080 118.776 118.600 0.159 0.000 2.460 75 c HA -0.079 4.319 4.570 -0.288 0.000 0.291 75 c C 2.602 176.748 174.090 0.094 0.000 1.493 75 c CA 1.354 57.765 56.329 0.138 0.000 1.748 75 c CB -1.856 40.740 42.510 0.143 0.000 1.656 75 c HN 0.624 nan 8.230 nan 0.000 0.576 76 T N -2.011 112.598 114.554 0.091 0.000 3.100 76 T HA 0.417 4.594 4.350 -0.288 0.000 0.253 76 T C 1.296 176.021 174.700 0.041 0.000 1.118 76 T CA 1.621 63.758 62.100 0.061 0.000 1.058 76 T CB -0.065 68.838 68.868 0.058 0.000 0.953 76 T HN 0.421 nan 8.240 nan 0.000 0.515 77 V N -1.116 118.826 119.914 0.048 0.000 3.359 77 V HA 0.742 4.689 4.120 -0.288 0.000 0.270 77 V C 2.445 178.561 176.094 0.036 0.000 1.583 77 V CA 0.971 63.287 62.300 0.026 0.000 1.019 77 V CB -0.376 31.448 31.823 0.002 0.000 0.831 77 V HN 0.378 nan 8.190 nan 0.000 0.426 78 A N 0.693 123.549 122.820 0.060 0.000 1.929 78 A HA -0.070 4.077 4.320 -0.288 0.000 0.216 78 A C 2.094 179.701 177.584 0.038 0.000 1.176 78 A CA 2.264 54.340 52.037 0.064 0.000 0.628 78 A CB -0.952 18.117 19.000 0.114 0.000 0.816 78 A HN 0.664 nan 8.150 nan 0.000 0.444 79 T N 0.469 115.044 114.554 0.035 0.000 3.118 79 T HA 0.002 4.180 4.350 -0.288 0.000 0.269 79 T C 0.606 175.312 174.700 0.011 0.000 1.166 79 T CA 0.531 62.641 62.100 0.018 0.000 1.073 79 T CB -0.639 68.240 68.868 0.018 0.000 0.884 79 T HN 0.330 nan 8.240 nan 0.000 0.550 80 L N 1.408 122.639 121.223 0.014 0.000 2.466 80 L HA 0.395 4.562 4.340 -0.288 0.000 0.248 80 L C 2.179 179.053 176.870 0.008 0.000 1.240 80 L CA -0.700 54.146 54.840 0.010 0.000 1.180 80 L CB -0.314 41.752 42.059 0.011 0.000 1.413 80 L HN 0.132 nan 8.230 nan 0.000 0.406 81 R N 1.069 121.570 120.500 0.002 0.000 2.159 81 R HA -0.167 4.000 4.340 -0.288 0.000 0.237 81 R C 2.048 178.349 176.300 0.002 0.000 1.131 81 R CA 1.757 57.855 56.100 -0.003 0.000 0.982 81 R CB -1.414 28.881 30.300 -0.009 0.000 0.868 81 R HN 0.693 nan 8.270 nan 0.000 0.453 82 E N -0.568 119.635 120.200 0.005 0.000 2.333 82 E HA -0.005 4.172 4.350 -0.288 0.000 0.198 82 E C 2.153 178.760 176.600 0.012 0.000 1.007 82 E CA 1.992 58.396 56.400 0.007 0.000 0.845 82 E CB -1.049 28.655 29.700 0.007 0.000 0.766 82 E HN 0.825 nan 8.360 nan 0.000 0.507 83 T N -3.035 111.527 114.554 0.014 0.000 3.085 83 T HA 0.444 4.621 4.350 -0.288 0.000 0.241 83 T C 1.170 175.885 174.700 0.024 0.000 0.988 83 T CA 1.208 63.321 62.100 0.021 0.000 1.117 83 T CB 0.369 69.251 68.868 0.023 0.000 0.978 83 T HN 0.896 nan 8.240 nan 0.000 0.454 84 Y N 1.652 121.964 120.300 0.019 0.000 2.658 84 Y HA 0.655 5.033 4.550 -0.288 0.000 0.362 84 Y C 1.459 177.355 175.900 -0.007 0.000 1.017 84 Y CA -0.886 57.224 58.100 0.016 0.000 1.134 84 Y CB -0.059 38.419 38.460 0.029 0.000 1.144 84 Y HN 0.376 nan 8.280 nan 0.000 0.655 85 G N 0.731 109.525 108.800 -0.009 0.000 2.721 85 G HA2 -0.327 3.460 3.960 -0.288 0.000 0.218 85 G HA3 -0.327 3.460 3.960 -0.288 0.000 0.218 85 G C 1.242 176.112 174.900 -0.050 0.000 1.265 85 G CA 1.460 46.548 45.100 -0.020 0.000 0.796 85 G HN 0.778 nan 8.290 nan 0.000 0.620 86 E N -0.053 120.101 120.200 -0.076 0.000 2.510 86 E HA -0.007 4.170 4.350 -0.288 0.000 0.202 86 E C 2.244 178.680 176.600 -0.275 0.000 1.072 86 E CA 0.415 56.725 56.400 -0.150 0.000 0.883 86 E CB -0.098 29.517 29.700 -0.141 0.000 0.818 86 E HN 0.265 nan 8.360 nan 0.000 0.548 87 M N 0.891 120.379 119.600 -0.187 0.000 2.193 87 M HA 0.074 4.381 4.480 -0.288 0.000 0.265 87 M C 2.391 178.630 176.300 -0.101 0.000 1.071 87 M CA 1.026 56.233 55.300 -0.155 0.000 1.140 87 M CB -1.100 31.480 32.600 -0.032 0.000 1.369 87 M HN 0.230 nan 8.290 nan 0.000 0.423 88 A N 0.784 123.566 122.820 -0.063 0.000 1.971 88 A HA -0.249 3.898 4.320 -0.288 0.000 0.222 88 A C 1.776 179.320 177.584 -0.066 0.000 1.182 88 A CA 2.317 54.329 52.037 -0.042 0.000 0.649 88 A CB -0.989 17.993 19.000 -0.030 0.000 0.818 88 A HN 0.493 nan 8.150 nan 0.000 0.458 89 D N -0.245 120.100 120.400 -0.092 0.000 2.104 89 D HA -0.155 4.312 4.640 -0.288 0.000 0.194 89 D C 2.031 178.254 176.300 -0.128 0.000 0.994 89 D CA 1.605 55.549 54.000 -0.093 0.000 0.830 89 D CB -1.035 39.712 40.800 -0.088 0.000 0.959 89 D HN 0.509 nan 8.370 nan 0.000 0.452 90 c N 0.556 119.040 118.600 -0.193 0.000 2.413 90 c HA -0.157 4.240 4.570 -0.288 0.000 0.277 90 c C 3.082 176.992 174.090 -0.301 0.000 1.265 90 c CA 0.085 56.222 56.329 -0.320 0.000 1.752 90 c CB -1.099 41.100 42.510 -0.518 0.000 1.998 90 c HN 0.448 nan 8.230 nan 0.000 0.489 91 c N 0.863 119.362 118.600 -0.168 0.000 2.440 91 c HA -0.016 4.381 4.570 -0.288 0.000 0.278 91 c C 2.993 177.045 174.090 -0.062 0.000 1.295 91 c CA 1.202 57.486 56.329 -0.074 0.000 1.738 91 c CB -1.450 41.060 42.510 -0.000 0.000 1.987 91 c HN 0.703 nan 8.230 nan 0.000 0.492 92 A N -0.075 122.706 122.820 -0.066 0.000 2.239 92 A HA -0.005 4.142 4.320 -0.288 0.000 0.209 92 A C 1.152 178.702 177.584 -0.057 0.000 1.171 92 A CA 0.919 52.927 52.037 -0.047 0.000 0.768 92 A CB -0.256 18.719 19.000 -0.041 0.000 0.790 92 A HN 0.643 nan 8.150 nan 0.000 0.478 93 K N -1.236 119.110 120.400 -0.090 0.000 2.318 93 K HA 0.502 4.650 4.320 -0.288 0.000 0.243 93 K C 0.800 177.360 176.600 -0.066 0.000 1.047 93 K CA 0.445 56.677 56.287 -0.092 0.000 0.937 93 K CB 0.102 32.514 32.500 -0.148 0.000 1.225 93 K HN 0.372 nan 8.250 nan 0.000 0.506 94 Q N 0.337 120.103 119.800 -0.058 0.000 2.926 94 Q HA 0.331 4.498 4.340 -0.288 0.000 0.186 94 Q C 1.597 177.583 176.000 -0.023 0.000 1.066 94 Q CA 0.578 56.364 55.803 -0.029 0.000 0.821 94 Q CB -0.966 27.762 28.738 -0.017 0.000 2.959 94 Q HN 0.695 nan 8.270 nan 0.000 0.406 95 E N -0.272 119.928 120.200 0.000 0.000 2.057 95 E HA 0.039 4.216 4.350 -0.288 0.000 0.190 95 E C 0.089 176.696 176.600 0.011 0.000 0.969 95 E CA 1.262 57.674 56.400 0.019 0.000 0.812 95 E CB -1.860 27.863 29.700 0.039 0.000 0.777 95 E HN 0.641 nan 8.360 nan 0.000 0.455 96 P HA -0.011 nan 4.420 nan 0.000 0.218 96 P C 0.367 177.664 177.300 -0.004 0.000 1.147 96 P CA 2.422 65.527 63.100 0.008 0.000 0.827 96 P CB 0.161 31.863 31.700 0.004 0.000 0.778 97 E N -0.925 119.256 120.200 -0.031 0.000 2.931 97 E HA 0.117 4.294 4.350 -0.288 0.000 0.327 97 E C 0.759 177.281 176.600 -0.129 0.000 1.078 97 E CA -0.479 55.884 56.400 -0.062 0.000 0.974 97 E CB -1.009 28.664 29.700 -0.045 0.000 1.338 97 E HN 0.209 nan 8.360 nan 0.000 0.395 98 R N -0.331 120.071 120.500 -0.164 0.000 2.189 98 R HA 0.058 4.225 4.340 -0.288 0.000 0.203 98 R C 1.303 177.282 176.300 -0.535 0.000 1.012 98 R CA 1.073 56.986 56.100 -0.312 0.000 1.015 98 R CB -0.123 30.043 30.300 -0.224 0.000 0.938 98 R HN 0.279 nan 8.270 nan 0.000 0.472 99 N N 1.414 119.962 118.700 -0.254 0.000 2.142 99 N HA -0.134 4.433 4.740 -0.288 0.000 0.186 99 N C 1.506 176.946 175.510 -0.116 0.000 1.023 99 N CA 1.336 54.334 53.050 -0.087 0.000 0.852 99 N CB 0.001 38.362 38.487 -0.209 0.000 0.998 99 N HN 0.177 nan 8.380 nan 0.000 0.424 100 E N 0.053 120.178 120.200 -0.125 0.000 2.130 100 E HA -0.190 3.987 4.350 -0.288 0.000 0.196 100 E C 2.117 178.650 176.600 -0.113 0.000 0.998 100 E CA 0.640 56.978 56.400 -0.102 0.000 0.806 100 E CB -0.989 28.668 29.700 -0.071 0.000 0.738 100 E HN 0.431 nan 8.360 nan 0.000 0.459 101 c N 0.233 118.716 118.600 -0.196 0.000 2.425 101 c HA -0.145 4.252 4.570 -0.288 0.000 0.277 101 c C 2.530 176.590 174.090 -0.050 0.000 1.280 101 c CA 0.267 56.502 56.329 -0.157 0.000 1.744 101 c CB -1.335 40.999 42.510 -0.294 0.000 1.989 101 c HN 0.249 nan 8.230 nan 0.000 0.491 102 F N 1.632 121.525 119.950 -0.094 0.000 2.046 102 F HA -0.078 4.276 4.527 -0.290 0.000 0.297 102 F C 2.220 178.018 175.800 -0.002 0.000 1.123 102 F CA 1.770 59.677 58.000 -0.155 0.000 1.199 102 F CB -1.301 37.332 39.000 -0.612 0.000 0.972 102 F HN 0.169 nan 8.300 nan 0.000 0.474 103 L N -0.618 120.719 121.223 0.191 0.000 2.043 103 L HA -0.283 3.884 4.340 -0.288 0.000 0.212 103 L C 2.155 179.063 176.870 0.063 0.000 1.075 103 L CA 1.602 56.515 54.840 0.121 0.000 0.752 103 L CB -1.130 40.926 42.059 -0.004 0.000 0.891 103 L HN 0.239 nan 8.230 nan 0.000 0.432 104 Q N -1.077 118.719 119.800 -0.007 0.000 2.515 104 Q HA -0.113 4.054 4.340 -0.288 0.000 0.212 104 Q C 0.965 176.822 176.000 -0.239 0.000 0.970 104 Q CA 0.638 56.369 55.803 -0.120 0.000 0.941 104 Q CB 0.073 28.690 28.738 -0.202 0.000 0.998 104 Q HN 0.622 nan 8.270 nan 0.000 0.518 105 H N -1.065 118.038 119.070 0.055 0.000 2.784 105 H HA 0.208 4.591 4.556 -0.288 0.000 0.273 105 H C -0.312 175.064 175.328 0.080 0.000 1.112 105 H CA -0.275 55.810 56.048 0.061 0.000 1.162 105 H CB 0.697 30.496 29.762 0.062 0.000 1.586 105 H HN -0.126 nan 8.280 nan 0.000 0.548 106 K N 1.560 122.053 120.400 0.154 0.000 2.401 106 K HA -0.003 4.145 4.320 -0.288 0.000 0.278 106 K C -0.519 176.146 176.600 0.109 0.000 1.018 106 K CA 0.197 56.545 56.287 0.100 0.000 0.981 106 K CB 0.638 33.136 32.500 -0.003 0.000 0.933 106 K HN 0.193 nan 8.250 nan 0.000 0.477 107 D N 1.254 121.711 120.400 0.095 0.000 2.248 107 D HA 0.130 4.597 4.640 -0.288 0.000 0.246 107 D C -0.053 176.310 176.300 0.106 0.000 1.027 107 D CA -0.361 53.694 54.000 0.092 0.000 0.853 107 D CB 1.345 42.191 40.800 0.075 0.000 1.243 107 D HN 0.381 nan 8.370 nan 0.000 0.462 108 D N 1.648 122.106 120.400 0.098 0.000 2.354 108 D HA -0.000 4.467 4.640 -0.288 0.000 0.209 108 D C -0.096 176.237 176.300 0.056 0.000 1.015 108 D CA 0.353 54.407 54.000 0.091 0.000 0.867 108 D CB 0.471 41.298 40.800 0.046 0.000 0.933 108 D HN 0.386 nan 8.370 nan 0.000 0.520 109 N N 1.317 120.046 118.700 0.048 0.000 2.791 109 N HA 0.171 4.738 4.740 -0.288 0.000 0.265 109 N C -2.737 172.795 175.510 0.037 0.000 1.580 109 N CA -1.324 51.748 53.050 0.037 0.000 0.809 109 N CB 1.388 39.890 38.487 0.024 0.000 1.178 109 N HN -0.230 nan 8.380 nan 0.000 0.499 110 P HA -0.011 nan 4.420 nan 0.000 0.255 110 P C 0.342 177.654 177.300 0.020 0.000 1.161 110 P CA 0.531 63.645 63.100 0.024 0.000 0.768 110 P CB -0.003 31.699 31.700 0.005 0.000 0.746 111 N N 3.634 122.348 118.700 0.024 0.000 2.530 111 N HA 0.036 4.603 4.740 -0.288 0.000 0.216 111 N C 0.358 175.880 175.510 0.019 0.000 1.315 111 N CA -0.009 53.055 53.050 0.022 0.000 0.858 111 N CB -0.712 37.790 38.487 0.026 0.000 1.138 111 N HN 0.345 nan 8.380 nan 0.000 0.473 112 L N 0.612 121.841 121.223 0.011 0.000 2.278 112 L HA 0.356 4.524 4.340 -0.288 0.000 0.287 112 L C -1.924 174.948 176.870 0.004 0.000 1.072 112 L CA -1.757 53.085 54.840 0.004 0.000 0.819 112 L CB 0.767 42.813 42.059 -0.021 0.000 1.176 112 L HN 0.135 nan 8.230 nan 0.000 0.435 113 P HA -0.049 nan 4.420 nan 0.000 0.268 113 P C 0.223 177.528 177.300 0.008 0.000 1.189 113 P CA 0.030 63.138 63.100 0.013 0.000 0.771 113 P CB 0.331 32.042 31.700 0.018 0.000 0.822 114 R N 1.600 122.107 120.500 0.011 0.000 2.678 114 R HA 0.028 4.195 4.340 -0.288 0.000 0.264 114 R C 0.047 176.353 176.300 0.009 0.000 0.995 114 R CA 0.020 56.126 56.100 0.011 0.000 1.098 114 R CB -0.900 29.412 30.300 0.019 0.000 0.949 114 R HN 0.563 nan 8.270 nan 0.000 0.422 115 L N 3.875 125.099 121.223 0.002 0.000 2.268 115 L HA 0.451 4.618 4.340 -0.288 0.000 0.289 115 L C 0.275 177.160 176.870 0.024 0.000 1.064 115 L CA -0.641 54.200 54.840 0.002 0.000 0.824 115 L CB 1.053 43.095 42.059 -0.028 0.000 1.202 115 L HN 0.606 nan 8.230 nan 0.000 0.433 116 V N 6.826 126.761 119.914 0.034 0.000 3.133 116 V HA 0.508 4.455 4.120 -0.288 0.000 0.305 116 V C -0.004 176.129 176.094 0.064 0.000 1.084 116 V CA -0.538 61.790 62.300 0.047 0.000 1.089 116 V CB 1.323 33.172 31.823 0.044 0.000 1.073 116 V HN 0.998 nan 8.190 nan 0.000 0.477 117 R N 5.179 125.723 120.500 0.075 0.000 2.468 117 R HA 0.555 4.722 4.340 -0.288 0.000 0.302 117 R C -2.733 173.627 176.300 0.100 0.000 1.041 117 R CA -1.404 54.758 56.100 0.103 0.000 0.899 117 R CB 1.246 31.616 30.300 0.117 0.000 1.167 117 R HN 0.619 nan 8.270 nan 0.000 0.483 118 P HA 0.022 nan 4.420 nan 0.000 0.267 118 P C -0.239 177.116 177.300 0.092 0.000 1.195 118 P CA 0.374 63.532 63.100 0.097 0.000 0.773 118 P CB 0.434 32.201 31.700 0.112 0.000 0.837 119 E N 1.170 121.410 120.200 0.067 0.000 2.508 119 E HA -0.031 4.146 4.350 -0.288 0.000 0.266 119 E C 1.379 178.015 176.600 0.059 0.000 1.010 119 E CA 0.254 56.686 56.400 0.052 0.000 0.955 119 E CB -0.359 29.364 29.700 0.039 0.000 0.946 119 E HN 0.337 nan 8.360 nan 0.000 0.454 120 V N 2.035 121.973 119.914 0.040 0.000 2.660 120 V HA -0.251 3.697 4.120 -0.288 0.000 0.257 120 V C 2.611 178.728 176.094 0.038 0.000 1.088 120 V CA 2.748 65.066 62.300 0.030 0.000 1.106 120 V CB -1.495 30.319 31.823 -0.014 0.000 0.686 120 V HN 0.953 nan 8.190 nan 0.000 0.481 121 D N -0.711 119.710 120.400 0.035 0.000 2.269 121 D HA -0.019 4.449 4.640 -0.288 0.000 0.208 121 D C 2.022 178.344 176.300 0.037 0.000 0.963 121 D CA 1.540 55.560 54.000 0.033 0.000 0.864 121 D CB -0.043 40.773 40.800 0.027 0.000 0.936 121 D HN 0.361 nan 8.370 nan 0.000 0.505 122 V N -0.022 119.920 119.914 0.047 0.000 2.492 122 V HA -0.054 3.893 4.120 -0.288 0.000 0.241 122 V C 2.759 178.866 176.094 0.023 0.000 1.041 122 V CA 1.288 63.612 62.300 0.041 0.000 1.057 122 V CB -0.329 31.529 31.823 0.057 0.000 0.711 122 V HN 0.425 nan 8.190 nan 0.000 0.468 123 M N -0.458 119.189 119.600 0.079 0.000 2.106 123 M HA -0.263 4.045 4.480 -0.288 0.000 0.259 123 M C 2.430 178.627 176.300 -0.171 0.000 1.068 123 M CA 2.030 57.369 55.300 0.064 0.000 1.100 123 M CB -0.931 31.924 32.600 0.425 0.000 1.351 123 M HN 0.390 nan 8.290 nan 0.000 0.404 124 c N 0.059 118.663 118.600 0.006 0.000 2.432 124 c HA -0.152 4.245 4.570 -0.288 0.000 0.277 124 c C 2.975 177.014 174.090 -0.084 0.000 1.249 124 c CA 1.604 57.923 56.329 -0.016 0.000 1.725 124 c CB -0.945 41.587 42.510 0.037 0.000 2.028 124 c HN 0.575 nan 8.230 nan 0.000 0.477 125 T N 0.807 115.342 114.554 -0.032 0.000 2.622 125 T HA -0.164 4.013 4.350 -0.288 0.000 0.266 125 T C 2.051 176.696 174.700 -0.092 0.000 1.047 125 T CA 1.878 63.972 62.100 -0.009 0.000 1.159 125 T CB -0.586 68.284 68.868 0.004 0.000 0.863 125 T HN 0.624 nan 8.240 nan 0.000 0.422 126 A N 0.939 123.668 122.820 -0.153 0.000 1.978 126 A HA -0.092 4.055 4.320 -0.288 0.000 0.220 126 A C 2.018 179.357 177.584 -0.409 0.000 1.170 126 A CA 1.673 53.593 52.037 -0.196 0.000 0.636 126 A CB -0.930 17.997 19.000 -0.121 0.000 0.810 126 A HN 0.538 nan 8.150 nan 0.000 0.448 127 F N 0.075 119.449 119.950 -0.959 0.000 2.113 127 F HA -0.131 4.224 4.527 -0.287 0.000 0.297 127 F C 2.315 177.866 175.800 -0.416 0.000 1.103 127 F CA 2.005 59.313 58.000 -1.153 0.000 1.248 127 F CB -0.539 37.659 39.000 -1.337 0.000 0.999 127 F HN 0.332 nan 8.300 nan 0.000 0.475 128 H N 0.559 119.316 119.070 -0.523 0.000 2.326 128 H HA -0.032 4.351 4.556 -0.287 0.000 0.301 128 H C 2.408 177.543 175.328 -0.322 0.000 1.081 128 H CA 1.694 57.448 56.048 -0.490 0.000 1.334 128 H CB -1.237 28.388 29.762 -0.228 0.000 1.385 128 H HN 0.525 nan 8.280 nan 0.000 0.504 129 D N 0.861 121.213 120.400 -0.081 0.000 2.103 129 D HA -0.161 4.306 4.640 -0.288 0.000 0.190 129 D C 1.094 177.349 176.300 -0.075 0.000 0.997 129 D CA 1.536 55.497 54.000 -0.065 0.000 0.833 129 D CB -0.253 40.523 40.800 -0.041 0.000 0.961 129 D HN 0.225 nan 8.370 nan 0.000 0.447 130 N N -0.521 118.133 118.700 -0.076 0.000 2.576 130 N HA 0.192 4.759 4.740 -0.288 0.000 0.269 130 N C -0.098 175.405 175.510 -0.012 0.000 1.058 130 N CA -0.219 52.816 53.050 -0.026 0.000 0.860 130 N CB 1.652 40.161 38.487 0.037 0.000 1.249 130 N HN 0.458 nan 8.380 nan 0.000 0.525 131 E N 1.851 122.010 120.200 -0.068 0.000 2.285 131 E HA -0.075 4.102 4.350 -0.288 0.000 0.194 131 E C 0.853 177.551 176.600 0.163 0.000 0.997 131 E CA 0.666 57.055 56.400 -0.019 0.000 0.845 131 E CB 0.409 30.015 29.700 -0.157 0.000 0.782 131 E HN 0.628 nan 8.360 nan 0.000 0.491 132 E N -0.122 120.148 120.200 0.117 0.000 2.033 132 E HA -0.101 4.076 4.350 -0.288 0.000 0.189 132 E C 1.762 178.470 176.600 0.179 0.000 0.979 132 E CA 1.231 57.711 56.400 0.133 0.000 0.802 132 E CB 0.064 29.819 29.700 0.090 0.000 0.763 132 E HN 0.143 nan 8.360 nan 0.000 0.449 133 T N 1.014 115.684 114.554 0.193 0.000 2.833 133 T HA -0.124 4.053 4.350 -0.288 0.000 0.269 133 T C 1.364 176.221 174.700 0.262 0.000 1.054 133 T CA 0.865 63.124 62.100 0.265 0.000 1.135 133 T CB -0.349 68.666 68.868 0.246 0.000 0.869 133 T HN 0.155 nan 8.240 nan 0.000 0.466 134 F N 1.551 121.553 119.950 0.087 0.000 2.134 134 F HA 0.045 4.401 4.527 -0.284 0.000 0.299 134 F C 1.831 177.672 175.800 0.068 0.000 1.097 134 F CA 1.050 59.083 58.000 0.054 0.000 1.264 134 F CB -0.365 38.680 39.000 0.076 0.000 1.001 134 F HN 0.086 nan 8.300 nan 0.000 0.479 135 L N -0.533 120.737 121.223 0.077 0.000 2.240 135 L HA -0.119 4.048 4.340 -0.288 0.000 0.211 135 L C 2.348 179.232 176.870 0.023 0.000 1.106 135 L CA 0.831 55.682 54.840 0.018 0.000 0.793 135 L CB -0.589 41.554 42.059 0.140 0.000 0.927 135 L HN 0.032 nan 8.230 nan 0.000 0.446 136 K N 0.571 121.019 120.400 0.079 0.000 2.057 136 K HA -0.224 3.923 4.320 -0.288 0.000 0.207 136 K C 2.118 178.696 176.600 -0.037 0.000 1.049 136 K CA 1.293 57.660 56.287 0.133 0.000 0.931 136 K CB -0.017 32.685 32.500 0.336 0.000 0.714 136 K HN 0.049 nan 8.250 nan 0.000 0.440 137 K N 0.255 120.471 120.400 -0.306 0.000 2.097 137 K HA -0.204 3.943 4.320 -0.288 0.000 0.206 137 K C 2.034 178.429 176.600 -0.342 0.000 1.049 137 K CA 1.176 57.056 56.287 -0.678 0.000 0.933 137 K CB -0.220 31.905 32.500 -0.626 0.000 0.717 137 K HN 0.124 nan 8.250 nan 0.000 0.442 138 Y N 0.759 120.783 120.300 -0.460 0.000 2.242 138 Y HA -0.123 4.256 4.550 -0.285 0.000 0.291 138 Y C 1.384 177.021 175.900 -0.438 0.000 1.137 138 Y CA 1.453 59.220 58.100 -0.555 0.000 1.181 138 Y CB -0.008 37.951 38.460 -0.834 0.000 0.989 138 Y HN -0.009 nan 8.280 nan 0.000 0.527 139 L N -1.175 119.803 121.223 -0.408 0.000 2.109 139 L HA -0.182 3.985 4.340 -0.288 0.000 0.207 139 L C 2.316 178.978 176.870 -0.346 0.000 1.086 139 L CA 1.493 56.069 54.840 -0.441 0.000 0.760 139 L CB -0.928 41.015 42.059 -0.194 0.000 0.910 139 L HN 0.318 nan 8.230 nan 0.000 0.437 140 Y N 1.315 121.421 120.300 -0.323 0.000 2.181 140 Y HA -0.222 4.159 4.550 -0.282 0.000 0.288 140 Y C 2.528 178.251 175.900 -0.296 0.000 1.146 140 Y CA 1.532 59.481 58.100 -0.252 0.000 1.164 140 Y CB -0.009 38.356 38.460 -0.159 0.000 0.982 140 Y HN 0.101 nan 8.280 nan 0.000 0.515 141 E N 0.414 120.325 120.200 -0.482 0.000 2.107 141 E HA -0.112 4.066 4.350 -0.288 0.000 0.191 141 E C 2.330 178.601 176.600 -0.549 0.000 0.982 141 E CA 1.319 57.399 56.400 -0.535 0.000 0.809 141 E CB -0.165 29.335 29.700 -0.332 0.000 0.756 141 E HN 0.614 nan 8.360 nan 0.000 0.459 142 I N 0.926 121.110 120.570 -0.643 0.000 2.162 142 I HA -0.172 3.825 4.170 -0.288 0.000 0.238 142 I C 2.461 178.243 176.117 -0.559 0.000 1.076 142 I CA 0.945 61.819 61.300 -0.710 0.000 1.353 142 I CB -0.402 37.026 38.000 -0.953 0.000 1.063 142 I HN -0.032 nan 8.210 nan 0.000 0.408 143 A N 1.553 124.069 122.820 -0.506 0.000 2.024 143 A HA -0.229 3.918 4.320 -0.288 0.000 0.220 143 A C 2.317 179.734 177.584 -0.279 0.000 1.164 143 A CA 1.907 53.743 52.037 -0.336 0.000 0.643 143 A CB -0.754 18.061 19.000 -0.309 0.000 0.806 143 A HN 0.576 nan 8.150 nan 0.000 0.451 144 R N -1.264 119.011 120.500 -0.375 0.000 2.276 144 R HA 0.132 4.299 4.340 -0.288 0.000 0.196 144 R C 1.509 177.683 176.300 -0.210 0.000 0.961 144 R CA 0.667 56.574 56.100 -0.322 0.000 1.024 144 R CB -0.122 29.868 30.300 -0.516 0.000 0.940 144 R HN 0.414 nan 8.270 nan 0.000 0.480 145 R N -0.267 120.101 120.500 -0.220 0.000 2.282 145 R HA 0.162 4.329 4.340 -0.288 0.000 0.195 145 R C -0.011 176.401 176.300 0.187 0.000 0.909 145 R CA 0.315 56.356 56.100 -0.098 0.000 1.039 145 R CB 0.488 30.646 30.300 -0.237 0.000 1.015 145 R HN 0.421 nan 8.270 nan 0.000 0.513 146 H N 0.223 119.272 119.070 -0.035 0.000 2.379 146 H HA 0.182 4.601 4.556 -0.229 0.000 0.229 146 H C -2.046 173.311 175.328 0.048 0.000 1.423 146 H CA -2.062 54.028 56.048 0.070 0.000 1.375 146 H CB 1.410 31.319 29.762 0.245 0.000 1.592 146 H HN -0.095 nan 8.280 nan 0.000 0.507 147 P HA -0.203 nan 4.420 nan 0.000 0.225 147 P C -0.057 177.017 177.300 -0.378 0.000 1.141 147 P CA 1.534 64.524 63.100 -0.182 0.000 0.774 147 P CB -0.062 31.492 31.700 -0.243 0.000 0.760 148 Y N -4.616 115.697 120.300 0.022 0.000 2.588 148 Y HA 0.300 4.684 4.550 -0.276 0.000 0.247 148 Y C 0.682 176.616 175.900 0.058 0.000 1.157 148 Y CA -1.043 57.057 58.100 0.001 0.000 1.215 148 Y CB -0.359 38.068 38.460 -0.054 0.000 1.245 148 Y HN -0.220 nan 8.280 nan 0.000 0.534 149 F N 1.459 121.463 119.950 0.091 0.000 2.612 149 F HA -0.109 4.298 4.527 -0.199 0.000 0.389 149 F C 0.492 176.381 175.800 0.148 0.000 1.055 149 F CA -0.565 57.491 58.000 0.094 0.000 1.232 149 F CB 0.105 39.128 39.000 0.038 0.000 1.044 149 F HN 0.100 nan 8.300 nan 0.000 0.560 150 Y N 7.452 127.860 120.300 0.180 0.000 2.828 150 Y HA 0.166 4.549 4.550 -0.279 0.000 0.364 150 Y C 1.129 177.213 175.900 0.305 0.000 1.277 150 Y CA -0.517 57.703 58.100 0.200 0.000 1.713 150 Y CB -0.265 38.289 38.460 0.157 0.000 1.278 150 Y HN 0.754 nan 8.280 nan 0.000 0.502 151 A N 7.470 130.391 122.820 0.168 0.000 1.882 151 A HA -0.247 3.900 4.320 -0.288 0.000 0.220 151 A C -0.165 177.362 177.584 -0.095 0.000 1.253 151 A CA 2.116 54.154 52.037 0.001 0.000 0.664 151 A CB -1.872 17.088 19.000 -0.066 0.000 0.838 151 A HN 0.635 nan 8.150 nan 0.000 0.460 152 P HA -0.151 nan 4.420 nan 0.000 0.218 152 P C 1.234 178.467 177.300 -0.111 0.000 1.146 152 P CA 1.400 64.335 63.100 -0.275 0.000 0.813 152 P CB -0.018 31.392 31.700 -0.483 0.000 0.778 153 E N -1.260 118.899 120.200 -0.068 0.000 2.250 153 E HA -0.032 4.145 4.350 -0.288 0.000 0.192 153 E C 1.766 178.751 176.600 0.641 0.000 0.986 153 E CA 0.361 56.974 56.400 0.355 0.000 0.849 153 E CB -0.676 29.368 29.700 0.574 0.000 0.797 153 E HN 0.159 nan 8.360 nan 0.000 0.482 154 L N 1.092 122.556 121.223 0.402 0.000 2.131 154 L HA -0.109 4.058 4.340 -0.288 0.000 0.210 154 L C 2.042 179.023 176.870 0.186 0.000 1.092 154 L CA 1.294 56.220 54.840 0.143 0.000 0.759 154 L CB -0.548 41.366 42.059 -0.241 0.000 0.903 154 L HN 0.068 nan 8.230 nan 0.000 0.435 155 L N -1.891 119.429 121.223 0.161 0.000 2.093 155 L HA -0.218 3.949 4.340 -0.288 0.000 0.208 155 L C 2.479 179.457 176.870 0.180 0.000 1.085 155 L CA 1.482 56.399 54.840 0.128 0.000 0.755 155 L CB -0.802 41.306 42.059 0.081 0.000 0.904 155 L HN 0.304 nan 8.230 nan 0.000 0.435 156 F N 0.429 120.433 119.950 0.090 0.000 2.186 156 F HA -0.200 4.154 4.527 -0.288 0.000 0.299 156 F C 2.116 177.888 175.800 -0.048 0.000 1.090 156 F CA 1.332 59.322 58.000 -0.015 0.000 1.307 156 F CB -0.247 38.698 39.000 -0.092 0.000 1.019 156 F HN -0.143 nan 8.300 nan 0.000 0.489 157 F N 0.285 120.373 119.950 0.231 0.000 2.293 157 F HA -0.037 4.323 4.527 -0.277 0.000 0.300 157 F C 2.488 178.365 175.800 0.129 0.000 1.086 157 F CA 1.019 59.126 58.000 0.179 0.000 1.375 157 F CB -1.021 38.140 39.000 0.269 0.000 1.045 157 F HN 0.082 nan 8.300 nan 0.000 0.516 158 A N 0.149 123.151 122.820 0.302 0.000 1.855 158 A HA -0.231 3.916 4.320 -0.288 0.000 0.215 158 A C 2.172 179.806 177.584 0.082 0.000 1.191 158 A CA 1.827 54.014 52.037 0.249 0.000 0.613 158 A CB -0.766 18.352 19.000 0.196 0.000 0.829 158 A HN 0.309 nan 8.150 nan 0.000 0.442 159 K N -0.419 119.964 120.400 -0.029 0.000 2.113 159 K HA -0.196 3.951 4.320 -0.288 0.000 0.208 159 K C 2.223 178.732 176.600 -0.153 0.000 1.047 159 K CA 1.820 58.047 56.287 -0.100 0.000 0.928 159 K CB -0.182 32.206 32.500 -0.187 0.000 0.716 159 K HN 0.425 nan 8.250 nan 0.000 0.446 160 R N -1.109 119.240 120.500 -0.253 0.000 2.062 160 R HA -0.128 4.039 4.340 -0.288 0.000 0.229 160 R C 2.281 178.535 176.300 -0.076 0.000 1.128 160 R CA 1.593 57.557 56.100 -0.227 0.000 0.960 160 R CB -0.451 29.661 30.300 -0.313 0.000 0.855 160 R HN 0.305 nan 8.270 nan 0.000 0.432 161 Y N 1.774 121.974 120.300 -0.166 0.000 2.207 161 Y HA -0.292 4.086 4.550 -0.285 0.000 0.287 161 Y C 2.252 178.087 175.900 -0.107 0.000 1.156 161 Y CA 1.785 59.746 58.100 -0.231 0.000 1.182 161 Y CB -0.017 38.030 38.460 -0.688 0.000 0.979 161 Y HN -0.088 nan 8.280 nan 0.000 0.521 162 K N -0.174 120.216 120.400 -0.017 0.000 2.025 162 K HA -0.132 4.015 4.320 -0.288 0.000 0.207 162 K C 2.234 178.795 176.600 -0.065 0.000 1.049 162 K CA 1.149 57.424 56.287 -0.020 0.000 0.933 162 K CB -0.406 32.156 32.500 0.103 0.000 0.714 162 K HN 0.332 nan 8.250 nan 0.000 0.438 163 A N 0.769 123.552 122.820 -0.061 0.000 2.070 163 A HA -0.053 4.095 4.320 -0.288 0.000 0.220 163 A C 2.158 179.662 177.584 -0.132 0.000 1.159 163 A CA 1.636 53.633 52.037 -0.067 0.000 0.656 163 A CB -0.538 18.416 19.000 -0.076 0.000 0.800 163 A HN 0.477 nan 8.150 nan 0.000 0.453 164 A N -1.733 120.961 122.820 -0.210 0.000 2.014 164 A HA 0.195 4.342 4.320 -0.288 0.000 0.218 164 A C 1.785 179.061 177.584 -0.512 0.000 1.163 164 A CA 1.094 52.929 52.037 -0.336 0.000 0.652 164 A CB -0.464 18.297 19.000 -0.399 0.000 0.808 164 A HN 0.467 nan 8.150 nan 0.000 0.449 165 F N -0.967 118.643 119.950 -0.568 0.000 2.317 165 F HA 0.024 4.376 4.527 -0.291 0.000 0.290 165 F C 2.627 178.126 175.800 -0.502 0.000 1.075 165 F CA 1.440 58.983 58.000 -0.761 0.000 1.380 165 F CB -0.606 37.486 39.000 -1.514 0.000 1.093 165 F HN 0.048 nan 8.300 nan 0.000 0.524 166 T N -0.086 114.394 114.554 -0.123 0.000 2.778 166 T HA -0.220 3.957 4.350 -0.288 0.000 0.269 166 T C 2.070 176.842 174.700 0.120 0.000 1.050 166 T CA 1.962 64.193 62.100 0.219 0.000 1.137 166 T CB -0.392 68.604 68.868 0.213 0.000 0.860 166 T HN 0.496 nan 8.240 nan 0.000 0.468 167 E N -0.355 119.842 120.200 -0.004 0.000 2.057 167 E HA -0.018 4.160 4.350 -0.288 0.000 0.191 167 E C 2.325 178.902 176.600 -0.038 0.000 0.959 167 E CA 0.888 57.280 56.400 -0.014 0.000 0.828 167 E CB -1.144 28.528 29.700 -0.046 0.000 0.800 167 E HN 0.633 nan 8.360 nan 0.000 0.460 168 c N 0.444 118.972 118.600 -0.119 0.000 2.403 168 c HA -0.150 4.247 4.570 -0.288 0.000 0.279 168 c C 2.830 176.868 174.090 -0.086 0.000 1.269 168 c CA 0.827 57.075 56.329 -0.135 0.000 1.774 168 c CB -1.314 41.047 42.510 -0.247 0.000 1.993 168 c HN 0.788 nan 8.230 nan 0.000 0.496 169 c N -0.236 118.331 118.600 -0.056 0.000 2.419 169 c HA -0.073 4.324 4.570 -0.288 0.000 0.281 169 c C 2.928 177.081 174.090 0.105 0.000 1.336 169 c CA 1.840 58.189 56.329 0.033 0.000 1.770 169 c CB -1.584 40.968 42.510 0.070 0.000 1.929 169 c HN 0.809 nan 8.230 nan 0.000 0.509 170 Q N -0.826 119.030 119.800 0.094 0.000 2.204 170 Q HA 0.686 4.853 4.340 -0.288 0.000 0.209 170 Q C 0.394 176.415 176.000 0.034 0.000 0.861 170 Q CA 0.705 56.557 55.803 0.082 0.000 0.971 170 Q CB -0.191 28.600 28.738 0.089 0.000 1.095 170 Q HN 0.714 nan 8.270 nan 0.000 0.486 171 A N -0.579 122.249 122.820 0.012 0.000 2.282 171 A HA 0.831 4.978 4.320 -0.288 0.000 0.319 171 A C 1.639 179.221 177.584 -0.004 0.000 1.121 171 A CA 0.098 52.133 52.037 -0.005 0.000 0.836 171 A CB 0.565 19.550 19.000 -0.026 0.000 1.146 171 A HN 0.964 nan 8.150 nan 0.000 0.494 172 A N 0.102 122.918 122.820 -0.006 0.000 1.948 172 A HA -0.050 4.097 4.320 -0.288 0.000 0.220 172 A C 0.776 178.355 177.584 -0.008 0.000 1.177 172 A CA 2.306 54.340 52.037 -0.005 0.000 0.636 172 A CB -0.228 18.768 19.000 -0.006 0.000 0.815 172 A HN 0.733 nan 8.150 nan 0.000 0.449 173 D N -1.888 118.503 120.400 -0.015 0.000 2.378 173 D HA 0.420 4.887 4.640 -0.288 0.000 0.265 173 D C 0.634 176.914 176.300 -0.033 0.000 1.229 173 D CA -0.357 53.631 54.000 -0.019 0.000 0.914 173 D CB 0.599 41.388 40.800 -0.018 0.000 1.140 173 D HN 0.116 nan 8.370 nan 0.000 0.516 174 K N 1.181 121.560 120.400 -0.035 0.000 2.059 174 K HA -0.161 3.986 4.320 -0.288 0.000 0.212 174 K C 2.001 178.552 176.600 -0.082 0.000 1.050 174 K CA 1.706 57.956 56.287 -0.062 0.000 0.927 174 K CB -0.111 32.359 32.500 -0.050 0.000 0.714 174 K HN 0.346 nan 8.250 nan 0.000 0.447 175 A N 1.101 123.887 122.820 -0.057 0.000 1.986 175 A HA -0.170 3.977 4.320 -0.288 0.000 0.220 175 A C 2.355 179.904 177.584 -0.059 0.000 1.171 175 A CA 2.068 54.072 52.037 -0.055 0.000 0.640 175 A CB -0.866 18.117 19.000 -0.029 0.000 0.811 175 A HN 0.365 nan 8.150 nan 0.000 0.451 176 A N -1.637 121.152 122.820 -0.051 0.000 1.930 176 A HA -0.082 4.065 4.320 -0.288 0.000 0.215 176 A C 2.353 179.900 177.584 -0.062 0.000 1.176 176 A CA 1.415 53.424 52.037 -0.046 0.000 0.632 176 A CB -1.173 17.807 19.000 -0.033 0.000 0.819 176 A HN 0.802 nan 8.150 nan 0.000 0.445 177 c N -1.360 117.193 118.600 -0.078 0.000 2.475 177 c HA 0.186 4.583 4.570 -0.288 0.000 0.279 177 c C 2.336 176.339 174.090 -0.144 0.000 1.322 177 c CA 0.956 57.227 56.329 -0.096 0.000 1.734 177 c CB -1.281 41.172 42.510 -0.094 0.000 2.005 177 c HN 0.546 nan 8.230 nan 0.000 0.495 178 L N 0.553 121.665 121.223 -0.185 0.000 1.984 178 L HA 0.173 4.340 4.340 -0.288 0.000 0.207 178 L C 2.367 179.116 176.870 -0.202 0.000 1.111 178 L CA 1.632 56.305 54.840 -0.279 0.000 0.770 178 L CB -0.910 40.919 42.059 -0.384 0.000 0.900 178 L HN 0.340 nan 8.230 nan 0.000 0.441 179 L N -0.441 120.693 121.223 -0.148 0.000 2.167 179 L HA -0.385 3.783 4.340 -0.288 0.000 0.241 179 L C -0.195 176.638 176.870 -0.061 0.000 1.123 179 L CA 2.498 57.288 54.840 -0.082 0.000 0.849 179 L CB -2.636 39.395 42.059 -0.048 0.000 0.947 179 L HN 0.298 nan 8.230 nan 0.000 0.449 180 P HA -0.224 nan 4.420 nan 0.000 0.214 180 P C 1.440 178.723 177.300 -0.029 0.000 1.172 180 P CA 1.716 64.798 63.100 -0.030 0.000 0.925 180 P CB -0.052 31.629 31.700 -0.032 0.000 0.793 181 K N -0.910 119.452 120.400 -0.064 0.000 2.173 181 K HA -0.149 3.998 4.320 -0.288 0.000 0.207 181 K C 2.062 178.639 176.600 -0.039 0.000 1.046 181 K CA 1.170 57.419 56.287 -0.063 0.000 0.929 181 K CB -0.651 31.772 32.500 -0.128 0.000 0.720 181 K HN 0.139 nan 8.250 nan 0.000 0.453 182 L N 0.266 121.448 121.223 -0.068 0.000 2.131 182 L HA -0.149 4.018 4.340 -0.288 0.000 0.206 182 L C 1.825 178.741 176.870 0.076 0.000 1.087 182 L CA 0.889 55.729 54.840 -0.001 0.000 0.767 182 L CB -0.305 41.726 42.059 -0.047 0.000 0.917 182 L HN 0.188 nan 8.230 nan 0.000 0.441 183 D N 0.087 120.517 120.400 0.050 0.000 2.117 183 D HA -0.213 4.254 4.640 -0.288 0.000 0.198 183 D C 2.007 178.365 176.300 0.096 0.000 0.982 183 D CA 1.034 55.077 54.000 0.071 0.000 0.828 183 D CB 0.164 40.992 40.800 0.048 0.000 0.967 183 D HN 0.317 nan 8.370 nan 0.000 0.464 184 E N 0.149 120.402 120.200 0.088 0.000 2.153 184 E HA -0.134 4.043 4.350 -0.288 0.000 0.194 184 E C 2.182 178.889 176.600 0.178 0.000 0.988 184 E CA 0.525 56.993 56.400 0.113 0.000 0.811 184 E CB 0.012 29.763 29.700 0.086 0.000 0.746 184 E HN 0.243 nan 8.360 nan 0.000 0.466 185 L N 0.020 121.362 121.223 0.199 0.000 2.179 185 L HA -0.089 4.079 4.340 -0.288 0.000 0.208 185 L C 2.865 179.911 176.870 0.294 0.000 1.096 185 L CA 0.826 55.852 54.840 0.311 0.000 0.779 185 L CB -0.280 41.978 42.059 0.331 0.000 0.922 185 L HN 0.082 nan 8.230 nan 0.000 0.443 186 R N -0.059 120.570 120.500 0.215 0.000 2.115 186 R HA -0.148 4.019 4.340 -0.288 0.000 0.230 186 R C 1.574 177.974 176.300 0.166 0.000 1.111 186 R CA 1.795 57.999 56.100 0.173 0.000 0.976 186 R CB -0.732 29.651 30.300 0.138 0.000 0.870 186 R HN 0.468 nan 8.270 nan 0.000 0.445 187 D N 0.036 120.538 120.400 0.170 0.000 2.107 187 D HA -0.096 4.371 4.640 -0.288 0.000 0.204 187 D C 1.940 178.356 176.300 0.194 0.000 0.978 187 D CA 1.738 55.834 54.000 0.160 0.000 0.852 187 D CB -0.776 40.108 40.800 0.141 0.000 1.008 187 D HN 0.596 nan 8.370 nan 0.000 0.458 188 E N 0.342 120.696 120.200 0.256 0.000 2.233 188 E HA -0.160 4.017 4.350 -0.288 0.000 0.199 188 E C 1.920 178.716 176.600 0.327 0.000 1.004 188 E CA 1.400 58.010 56.400 0.350 0.000 0.819 188 E CB -0.219 29.777 29.700 0.493 0.000 0.738 188 E HN 0.275 nan 8.360 nan 0.000 0.478 189 G N -0.280 108.640 108.800 0.201 0.000 2.408 189 G HA2 -0.190 3.597 3.960 -0.288 0.000 0.215 189 G HA3 -0.190 3.597 3.960 -0.288 0.000 0.215 189 G C 1.711 176.666 174.900 0.092 0.000 1.156 189 G CA 0.410 45.506 45.100 -0.007 0.000 0.793 189 G HN 0.080 nan 8.290 nan 0.000 0.535 190 K N 0.694 121.176 120.400 0.137 0.000 2.155 190 K HA 0.287 4.434 4.320 -0.288 0.000 0.203 190 K C 2.959 179.535 176.600 -0.041 0.000 1.052 190 K CA 1.010 57.346 56.287 0.082 0.000 0.948 190 K CB -0.455 32.110 32.500 0.108 0.000 0.728 190 K HN 0.460 nan 8.250 nan 0.000 0.448 191 A N 0.521 123.358 122.820 0.028 0.000 1.832 191 A HA -0.129 4.018 4.320 -0.288 0.000 0.214 191 A C 2.336 179.881 177.584 -0.064 0.000 1.200 191 A CA 1.968 54.024 52.037 0.032 0.000 0.610 191 A CB -1.266 17.822 19.000 0.147 0.000 0.842 191 A HN 0.405 nan 8.150 nan 0.000 0.444 192 S N -0.516 115.163 115.700 -0.036 0.000 2.392 192 S HA -0.206 4.091 4.470 -0.288 0.000 0.232 192 S C 2.339 176.702 174.600 -0.396 0.000 1.041 192 S CA 2.175 60.309 58.200 -0.110 0.000 1.026 192 S CB -0.482 62.731 63.200 0.022 0.000 0.845 192 S HN 0.668 nan 8.310 nan 0.000 0.465 193 S N 0.368 115.708 115.700 -0.601 0.000 2.356 193 S HA 0.005 4.302 4.470 -0.288 0.000 0.223 193 S C 2.071 176.421 174.600 -0.417 0.000 1.032 193 S CA 1.414 59.199 58.200 -0.692 0.000 1.005 193 S CB -0.700 62.102 63.200 -0.662 0.000 0.867 193 S HN 0.683 nan 8.310 nan 0.000 0.449 194 A N 1.080 123.701 122.820 -0.332 0.000 1.898 194 A HA -0.015 4.132 4.320 -0.288 0.000 0.216 194 A C 2.146 179.561 177.584 -0.282 0.000 1.181 194 A CA 1.503 53.365 52.037 -0.293 0.000 0.620 194 A CB -0.591 18.245 19.000 -0.274 0.000 0.819 194 A HN 0.583 nan 8.150 nan 0.000 0.442 195 K N -1.004 119.245 120.400 -0.251 0.000 2.044 195 K HA -0.253 3.894 4.320 -0.288 0.000 0.210 195 K C 2.387 178.818 176.600 -0.281 0.000 1.049 195 K CA 1.983 58.128 56.287 -0.236 0.000 0.927 195 K CB -0.116 32.293 32.500 -0.153 0.000 0.713 195 K HN 0.540 nan 8.250 nan 0.000 0.443 196 Q N 0.617 120.259 119.800 -0.264 0.000 2.230 196 Q HA -0.122 4.046 4.340 -0.288 0.000 0.202 196 Q C 1.818 177.679 176.000 -0.231 0.000 0.963 196 Q CA 1.196 56.848 55.803 -0.251 0.000 0.866 196 Q CB 0.006 28.637 28.738 -0.178 0.000 0.931 196 Q HN 0.021 nan 8.270 nan 0.000 0.452 197 R N -0.166 120.183 120.500 -0.251 0.000 2.120 197 R HA -0.098 4.069 4.340 -0.288 0.000 0.234 197 R C 1.790 177.911 176.300 -0.298 0.000 1.123 197 R CA 1.207 57.130 56.100 -0.294 0.000 0.975 197 R CB -0.722 29.400 30.300 -0.296 0.000 0.866 197 R HN 0.440 nan 8.270 nan 0.000 0.446 198 L N 0.551 121.604 121.223 -0.284 0.000 2.044 198 L HA -0.008 4.159 4.340 -0.288 0.000 0.205 198 L C 1.628 178.332 176.870 -0.277 0.000 1.075 198 L CA 1.856 56.531 54.840 -0.274 0.000 0.747 198 L CB -0.425 41.445 42.059 -0.315 0.000 0.903 198 L HN 0.066 nan 8.230 nan 0.000 0.435 199 K N -1.211 118.991 120.400 -0.330 0.000 2.152 199 K HA -0.167 3.980 4.320 -0.288 0.000 0.206 199 K C 2.077 178.581 176.600 -0.160 0.000 1.048 199 K CA 1.581 57.702 56.287 -0.277 0.000 0.933 199 K CB -0.427 31.846 32.500 -0.380 0.000 0.721 199 K HN 0.444 nan 8.250 nan 0.000 0.447 200 c N 0.096 118.596 118.600 -0.167 0.000 2.464 200 c HA 0.049 4.446 4.570 -0.288 0.000 0.278 200 c C 2.752 176.771 174.090 -0.119 0.000 1.375 200 c CA 0.528 56.787 56.329 -0.116 0.000 1.761 200 c CB -0.619 41.834 42.510 -0.095 0.000 1.944 200 c HN 0.509 nan 8.230 nan 0.000 0.509 201 A N 0.606 123.339 122.820 -0.145 0.000 2.014 201 A HA -0.061 4.086 4.320 -0.288 0.000 0.218 201 A C 2.197 179.824 177.584 0.072 0.000 1.163 201 A CA 1.876 53.865 52.037 -0.080 0.000 0.652 201 A CB -0.469 18.482 19.000 -0.083 0.000 0.808 201 A HN 0.559 nan 8.150 nan 0.000 0.449 202 S N 0.292 116.053 115.700 0.102 0.000 2.357 202 S HA -0.061 4.236 4.470 -0.288 0.000 0.221 202 S C 1.819 176.545 174.600 0.209 0.000 1.031 202 S CA 1.359 59.704 58.200 0.241 0.000 0.982 202 S CB -0.479 62.797 63.200 0.126 0.000 0.853 202 S HN 0.496 nan 8.310 nan 0.000 0.458 203 L N 1.362 122.647 121.223 0.103 0.000 2.017 203 L HA -0.176 3.991 4.340 -0.288 0.000 0.208 203 L C 2.820 179.713 176.870 0.038 0.000 1.073 203 L CA 1.349 56.221 54.840 0.053 0.000 0.745 203 L CB -0.594 41.426 42.059 -0.065 0.000 0.894 203 L HN 0.351 nan 8.230 nan 0.000 0.432 204 Q N -0.553 119.248 119.800 0.003 0.000 2.049 204 Q HA -0.115 4.052 4.340 -0.288 0.000 0.198 204 Q C 2.078 178.027 176.000 -0.084 0.000 0.971 204 Q CA 0.912 56.697 55.803 -0.030 0.000 0.833 204 Q CB 0.024 28.735 28.738 -0.045 0.000 0.896 204 Q HN 0.229 nan 8.270 nan 0.000 0.434 205 K N -0.344 119.967 120.400 -0.148 0.000 2.314 205 K HA 0.064 4.211 4.320 -0.288 0.000 0.198 205 K C 0.987 177.229 176.600 -0.598 0.000 1.045 205 K CA 0.703 56.754 56.287 -0.393 0.000 0.988 205 K CB 0.451 32.624 32.500 -0.545 0.000 0.783 205 K HN 0.165 nan 8.250 nan 0.000 0.484 206 F N -0.049 119.901 119.950 0.001 0.000 2.706 206 F HA 0.294 4.641 4.527 -0.300 0.000 0.313 206 F C 0.853 176.676 175.800 0.038 0.000 1.096 206 F CA 0.024 58.035 58.000 0.017 0.000 1.219 206 F CB 0.764 39.774 39.000 0.016 0.000 1.051 206 F HN 0.022 nan 8.300 nan 0.000 0.568 207 G N 1.503 110.396 108.800 0.154 0.000 2.730 207 G HA2 -0.254 3.533 3.960 -0.288 0.000 0.686 207 G HA3 -0.254 3.533 3.960 -0.288 0.000 0.686 207 G C 0.590 175.590 174.900 0.167 0.000 1.343 207 G CA -0.069 45.111 45.100 0.132 0.000 0.826 207 G HN 0.438 nan 8.290 nan 0.000 0.582 208 E N 0.139 120.425 120.200 0.142 0.000 2.208 208 E HA -0.096 4.081 4.350 -0.288 0.000 0.193 208 E C 2.215 178.945 176.600 0.216 0.000 0.988 208 E CA 1.038 57.546 56.400 0.178 0.000 0.828 208 E CB -0.056 29.718 29.700 0.123 0.000 0.763 208 E HN 0.604 nan 8.360 nan 0.000 0.478 209 R N 0.498 121.099 120.500 0.169 0.000 2.105 209 R HA -0.155 4.012 4.340 -0.288 0.000 0.239 209 R C 2.173 178.572 176.300 0.164 0.000 1.135 209 R CA 1.398 57.593 56.100 0.157 0.000 0.967 209 R CB -0.344 30.035 30.300 0.132 0.000 0.861 209 R HN 0.306 nan 8.270 nan 0.000 0.442 210 A N 0.519 123.444 122.820 0.175 0.000 1.855 210 A HA -0.191 3.956 4.320 -0.288 0.000 0.215 210 A C 1.981 179.661 177.584 0.161 0.000 1.191 210 A CA 1.262 53.387 52.037 0.146 0.000 0.613 210 A CB -0.842 18.253 19.000 0.159 0.000 0.829 210 A HN 0.501 nan 8.150 nan 0.000 0.442 211 F N 0.830 120.839 119.950 0.098 0.000 2.134 211 F HA -0.158 4.185 4.527 -0.307 0.000 0.299 211 F C 2.158 178.069 175.800 0.186 0.000 1.097 211 F CA 2.139 60.204 58.000 0.108 0.000 1.264 211 F CB -0.161 38.868 39.000 0.047 0.000 1.001 211 F HN 0.127 nan 8.300 nan 0.000 0.479 212 K N 0.230 120.797 120.400 0.280 0.000 2.032 212 K HA -0.208 3.939 4.320 -0.288 0.000 0.209 212 K C 2.337 178.973 176.600 0.059 0.000 1.048 212 K CA 1.412 57.813 56.287 0.190 0.000 0.927 212 K CB -0.660 31.955 32.500 0.192 0.000 0.712 212 K HN 0.374 nan 8.250 nan 0.000 0.441 213 A N 0.838 123.699 122.820 0.069 0.000 1.883 213 A HA -0.216 3.931 4.320 -0.288 0.000 0.217 213 A C 1.957 179.509 177.584 -0.053 0.000 1.186 213 A CA 1.563 53.618 52.037 0.030 0.000 0.624 213 A CB -1.065 17.966 19.000 0.051 0.000 0.822 213 A HN 0.633 nan 8.150 nan 0.000 0.444 214 W N 0.678 121.834 121.300 -0.239 0.000 2.338 214 W HA -0.186 4.328 4.660 -0.243 0.000 0.304 214 W C 2.398 178.708 176.519 -0.349 0.000 1.212 214 W CA 2.508 59.661 57.345 -0.319 0.000 1.264 214 W CB -0.175 29.026 29.460 -0.431 0.000 1.142 214 W HN 0.361 nan 8.180 nan 0.000 0.512 215 A N -0.365 122.270 122.820 -0.309 0.000 1.898 215 A HA -0.145 4.002 4.320 -0.288 0.000 0.216 215 A C 2.001 179.402 177.584 -0.306 0.000 1.181 215 A CA 2.117 53.933 52.037 -0.369 0.000 0.620 215 A CB -1.179 17.750 19.000 -0.118 0.000 0.819 215 A HN 0.191 nan 8.150 nan 0.000 0.442 216 V N -0.048 119.766 119.914 -0.167 0.000 2.295 216 V HA -0.266 3.681 4.120 -0.288 0.000 0.246 216 V C 3.056 179.068 176.094 -0.136 0.000 1.049 216 V CA 2.005 64.265 62.300 -0.066 0.000 1.024 216 V CB -1.290 30.562 31.823 0.048 0.000 0.648 216 V HN 0.619 nan 8.190 nan 0.000 0.447 217 A N 0.157 122.822 122.820 -0.258 0.000 1.858 217 A HA -0.253 3.894 4.320 -0.288 0.000 0.216 217 A C 2.319 179.653 177.584 -0.416 0.000 1.190 217 A CA 2.181 54.028 52.037 -0.316 0.000 0.617 217 A CB -0.592 18.191 19.000 -0.362 0.000 0.827 217 A HN 0.415 nan 8.150 nan 0.000 0.443 218 R N 0.147 120.246 120.500 -0.668 0.000 2.083 218 R HA -0.043 4.125 4.340 -0.288 0.000 0.237 218 R C 1.981 177.980 176.300 -0.503 0.000 1.137 218 R CA 1.740 57.415 56.100 -0.708 0.000 0.951 218 R CB -0.961 28.611 30.300 -1.214 0.000 0.851 218 R HN 0.557 nan 8.270 nan 0.000 0.434 219 L N -0.340 120.640 121.223 -0.405 0.000 2.056 219 L HA -0.114 4.053 4.340 -0.288 0.000 0.207 219 L C 2.209 178.934 176.870 -0.243 0.000 1.078 219 L CA 1.612 56.263 54.840 -0.316 0.000 0.749 219 L CB -0.528 41.497 42.059 -0.057 0.000 0.901 219 L HN 0.191 nan 8.230 nan 0.000 0.433 220 S N -0.640 114.996 115.700 -0.107 0.000 2.382 220 S HA -0.232 4.065 4.470 -0.288 0.000 0.228 220 S C 1.913 176.415 174.600 -0.162 0.000 1.027 220 S CA 1.149 59.339 58.200 -0.016 0.000 0.991 220 S CB -0.166 63.048 63.200 0.023 0.000 0.823 220 S HN 0.413 nan 8.310 nan 0.000 0.469 221 Q N 0.553 120.203 119.800 -0.248 0.000 2.079 221 Q HA -0.020 4.147 4.340 -0.288 0.000 0.200 221 Q C 2.482 178.316 176.000 -0.276 0.000 0.974 221 Q CA 1.069 56.719 55.803 -0.256 0.000 0.840 221 Q CB -0.044 28.532 28.738 -0.270 0.000 0.898 221 Q HN 0.376 nan 8.270 nan 0.000 0.430 222 R N -0.680 119.562 120.500 -0.430 0.000 2.073 222 R HA -0.070 4.097 4.340 -0.288 0.000 0.229 222 R C 0.032 176.047 176.300 -0.475 0.000 1.120 222 R CA 0.866 56.601 56.100 -0.609 0.000 0.967 222 R CB 0.286 29.926 30.300 -1.099 0.000 0.862 222 R HN 0.101 nan 8.270 nan 0.000 0.436 223 F N -0.220 119.710 119.950 -0.032 0.000 2.627 223 F HA 0.381 4.736 4.527 -0.286 0.000 0.329 223 F C -1.931 173.874 175.800 0.008 0.000 1.378 223 F CA -3.053 54.945 58.000 -0.004 0.000 1.134 223 F CB 1.041 40.054 39.000 0.023 0.000 1.229 223 F HN -0.113 nan 8.300 nan 0.000 0.537 224 P HA -0.237 nan 4.420 nan 0.000 0.218 224 P C 1.418 178.753 177.300 0.059 0.000 1.150 224 P CA 1.777 64.875 63.100 -0.003 0.000 0.841 224 P CB 0.231 31.886 31.700 -0.074 0.000 0.784 225 K N -0.847 119.612 120.400 0.098 0.000 2.155 225 K HA 0.094 4.241 4.320 -0.288 0.000 0.203 225 K C 1.162 177.844 176.600 0.137 0.000 1.052 225 K CA 0.402 56.744 56.287 0.092 0.000 0.948 225 K CB -0.510 32.028 32.500 0.062 0.000 0.728 225 K HN 0.103 nan 8.250 nan 0.000 0.448 226 A N 2.446 125.377 122.820 0.184 0.000 2.520 226 A HA -0.049 4.098 4.320 -0.288 0.000 0.235 226 A C 0.003 177.733 177.584 0.244 0.000 1.065 226 A CA 0.150 52.294 52.037 0.179 0.000 0.764 226 A CB 0.074 19.200 19.000 0.210 0.000 1.002 226 A HN 0.218 nan 8.150 nan 0.000 0.502 227 E N 0.236 120.519 120.200 0.138 0.000 2.349 227 E HA 0.236 4.413 4.350 -0.288 0.000 0.265 227 E C 0.339 176.895 176.600 -0.072 0.000 1.064 227 E CA -0.429 56.037 56.400 0.110 0.000 0.886 227 E CB 0.549 30.293 29.700 0.073 0.000 1.036 227 E HN 0.632 nan 8.360 nan 0.000 0.413 228 F N 2.705 122.357 119.950 -0.496 0.000 2.120 228 F HA -0.262 4.092 4.527 -0.289 0.000 0.300 228 F C 1.890 177.509 175.800 -0.303 0.000 1.095 228 F CA 2.090 59.624 58.000 -0.776 0.000 1.249 228 F CB -0.405 38.181 39.000 -0.691 0.000 0.995 228 F HN 0.582 nan 8.300 nan 0.000 0.480 229 A N -0.465 122.226 122.820 -0.216 0.000 1.940 229 A HA -0.239 3.908 4.320 -0.288 0.000 0.219 229 A C 2.097 179.562 177.584 -0.197 0.000 1.176 229 A CA 1.911 53.819 52.037 -0.215 0.000 0.631 229 A CB -0.883 18.087 19.000 -0.050 0.000 0.814 229 A HN 0.470 nan 8.150 nan 0.000 0.446 230 E N -0.108 120.022 120.200 -0.117 0.000 2.028 230 E HA -0.100 4.077 4.350 -0.288 0.000 0.191 230 E C 1.912 178.474 176.600 -0.063 0.000 0.988 230 E CA 1.491 57.866 56.400 -0.041 0.000 0.799 230 E CB -0.481 29.227 29.700 0.014 0.000 0.755 230 E HN 0.226 nan 8.360 nan 0.000 0.447 231 V N 0.793 120.649 119.914 -0.097 0.000 2.252 231 V HA -0.347 3.600 4.120 -0.288 0.000 0.249 231 V C 2.333 178.344 176.094 -0.138 0.000 1.056 231 V CA 2.224 64.490 62.300 -0.056 0.000 1.022 231 V CB -0.971 30.826 31.823 -0.044 0.000 0.641 231 V HN 0.293 nan 8.190 nan 0.000 0.445 232 S N -0.338 115.155 115.700 -0.344 0.000 2.370 232 S HA -0.281 4.016 4.470 -0.288 0.000 0.226 232 S C 1.971 176.481 174.600 -0.150 0.000 1.033 232 S CA 1.670 59.684 58.200 -0.309 0.000 1.011 232 S CB -0.416 62.486 63.200 -0.496 0.000 0.852 232 S HN 0.536 nan 8.310 nan 0.000 0.457 233 K N 1.671 121.988 120.400 -0.138 0.000 2.009 233 K HA -0.082 4.065 4.320 -0.288 0.000 0.210 233 K C 2.091 178.647 176.600 -0.072 0.000 1.049 233 K CA 1.398 57.621 56.287 -0.107 0.000 0.929 233 K CB -0.650 31.783 32.500 -0.110 0.000 0.714 233 K HN 0.395 nan 8.250 nan 0.000 0.440 234 L N 0.746 121.958 121.223 -0.019 0.000 2.012 234 L HA -0.208 3.959 4.340 -0.288 0.000 0.210 234 L C 2.595 179.514 176.870 0.082 0.000 1.073 234 L CA 1.107 55.979 54.840 0.053 0.000 0.748 234 L CB -0.664 41.472 42.059 0.129 0.000 0.891 234 L HN -0.029 nan 8.230 nan 0.000 0.431 235 V N -0.117 119.835 119.914 0.064 0.000 2.332 235 V HA -0.290 3.657 4.120 -0.288 0.000 0.248 235 V C 2.608 178.782 176.094 0.134 0.000 1.055 235 V CA 2.420 64.785 62.300 0.109 0.000 1.038 235 V CB -1.017 30.841 31.823 0.058 0.000 0.651 235 V HN 0.560 nan 8.190 nan 0.000 0.450 236 T N -0.540 114.052 114.554 0.063 0.000 2.708 236 T HA -0.198 3.979 4.350 -0.288 0.000 0.266 236 T C 1.588 176.327 174.700 0.065 0.000 1.037 236 T CA 1.658 63.793 62.100 0.058 0.000 1.146 236 T CB -0.398 68.474 68.868 0.007 0.000 0.865 236 T HN 0.460 nan 8.240 nan 0.000 0.435 237 D N 1.278 121.703 120.400 0.041 0.000 2.077 237 D HA -0.040 4.427 4.640 -0.288 0.000 0.193 237 D C 2.100 178.460 176.300 0.102 0.000 0.989 237 D CA 0.630 54.653 54.000 0.039 0.000 0.831 237 D CB -0.772 40.027 40.800 -0.002 0.000 0.979 237 D HN 0.146 nan 8.370 nan 0.000 0.449 238 L N 1.002 122.326 121.223 0.169 0.000 2.137 238 L HA -0.190 3.977 4.340 -0.288 0.000 0.213 238 L C 2.068 179.127 176.870 0.315 0.000 1.085 238 L CA 1.794 56.804 54.840 0.283 0.000 0.760 238 L CB -0.916 41.362 42.059 0.365 0.000 0.893 238 L HN -0.011 nan 8.230 nan 0.000 0.434 239 T N -0.760 113.956 114.554 0.270 0.000 2.777 239 T HA -0.196 3.981 4.350 -0.288 0.000 0.266 239 T C 1.880 176.562 174.700 -0.030 0.000 1.040 239 T CA 1.520 63.683 62.100 0.105 0.000 1.141 239 T CB -0.183 68.804 68.868 0.199 0.000 0.868 239 T HN 0.352 nan 8.240 nan 0.000 0.444 240 K N 0.908 121.325 120.400 0.029 0.000 2.009 240 K HA -0.121 4.026 4.320 -0.288 0.000 0.210 240 K C 2.247 178.841 176.600 -0.011 0.000 1.049 240 K CA 1.279 57.569 56.287 0.003 0.000 0.929 240 K CB -0.502 32.007 32.500 0.014 0.000 0.714 240 K HN 0.139 nan 8.250 nan 0.000 0.440 241 V N 1.491 121.408 119.914 0.005 0.000 2.220 241 V HA -0.321 3.626 4.120 -0.288 0.000 0.250 241 V C 2.370 178.414 176.094 -0.084 0.000 1.056 241 V CA 2.171 64.451 62.300 -0.033 0.000 1.016 241 V CB -0.831 30.974 31.823 -0.031 0.000 0.639 241 V HN 0.474 nan 8.190 nan 0.000 0.446 242 H N -0.026 119.010 119.070 -0.057 0.000 2.489 242 H HA -0.108 4.274 4.556 -0.289 0.000 0.295 242 H C 2.375 177.593 175.328 -0.183 0.000 1.082 242 H CA 1.881 57.828 56.048 -0.168 0.000 1.295 242 H CB -0.315 29.206 29.762 -0.402 0.000 1.380 242 H HN 0.514 nan 8.280 nan 0.000 0.548 243 T N 0.230 114.738 114.554 -0.077 0.000 2.812 243 T HA -0.088 4.089 4.350 -0.288 0.000 0.264 243 T C 1.912 176.631 174.700 0.032 0.000 1.042 243 T CA 0.951 63.024 62.100 -0.045 0.000 1.140 243 T CB 0.072 68.915 68.868 -0.042 0.000 0.870 243 T HN 0.440 nan 8.240 nan 0.000 0.445 244 E N 0.212 120.419 120.200 0.011 0.000 2.017 244 E HA -0.103 4.074 4.350 -0.288 0.000 0.193 244 E C 2.484 179.112 176.600 0.047 0.000 0.997 244 E CA 1.111 57.523 56.400 0.021 0.000 0.804 244 E CB -0.302 29.386 29.700 -0.019 0.000 0.757 244 E HN 0.344 nan 8.360 nan 0.000 0.448 245 c N 0.241 118.862 118.600 0.034 0.000 2.403 245 c HA -0.180 4.217 4.570 -0.288 0.000 0.277 245 c C 2.736 176.871 174.090 0.076 0.000 1.248 245 c CA 0.513 56.877 56.329 0.059 0.000 1.762 245 c CB -0.756 41.843 42.510 0.149 0.000 2.014 245 c HN 0.620 nan 8.230 nan 0.000 0.486 246 c N -1.796 116.861 118.600 0.096 0.000 2.481 246 c HA -0.025 4.372 4.570 -0.288 0.000 0.275 246 c C 2.496 176.651 174.090 0.108 0.000 1.419 246 c CA 0.476 56.878 56.329 0.122 0.000 1.773 246 c CB -1.647 40.920 42.510 0.095 0.000 1.862 246 c HN 0.706 nan 8.230 nan 0.000 0.530 247 H N -0.016 119.075 119.070 0.035 0.000 2.547 247 H HA 0.137 4.520 4.556 -0.288 0.000 0.272 247 H C 1.856 177.218 175.328 0.056 0.000 0.971 247 H CA 1.460 57.541 56.048 0.055 0.000 1.245 247 H CB 0.298 30.100 29.762 0.066 0.000 1.440 247 H HN 0.477 nan 8.280 nan 0.000 0.540 248 G N 1.099 109.971 108.800 0.120 0.000 2.183 248 G HA2 -0.169 3.618 3.960 -0.288 0.000 0.168 248 G HA3 -0.169 3.618 3.960 -0.288 0.000 0.168 248 G C -0.521 174.354 174.900 -0.042 0.000 1.008 248 G CA 0.135 45.221 45.100 -0.023 0.000 0.677 248 G HN 0.366 nan 8.290 nan 0.000 0.498 249 D N 1.722 122.123 120.400 0.002 0.000 2.741 249 D HA 0.349 4.816 4.640 -0.288 0.000 0.233 249 D C 2.129 178.346 176.300 -0.140 0.000 1.160 249 D CA -0.347 53.585 54.000 -0.112 0.000 1.003 249 D CB 0.166 40.917 40.800 -0.082 0.000 1.064 249 D HN 0.375 nan 8.370 nan 0.000 0.503 250 L N -0.318 120.786 121.223 -0.198 0.000 2.042 250 L HA -0.187 3.980 4.340 -0.288 0.000 0.210 250 L C 2.290 179.065 176.870 -0.158 0.000 1.076 250 L CA 0.947 55.683 54.840 -0.173 0.000 0.749 250 L CB -0.400 41.532 42.059 -0.213 0.000 0.893 250 L HN 0.249 nan 8.230 nan 0.000 0.432 251 L N -0.039 121.074 121.223 -0.184 0.000 1.989 251 L HA -0.205 3.963 4.340 -0.288 0.000 0.211 251 L C 2.908 179.711 176.870 -0.113 0.000 1.071 251 L CA 1.474 56.227 54.840 -0.144 0.000 0.749 251 L CB -0.771 41.208 42.059 -0.132 0.000 0.890 251 L HN 0.411 nan 8.230 nan 0.000 0.431 252 E N -0.246 119.884 120.200 -0.116 0.000 2.150 252 E HA -0.237 3.940 4.350 -0.288 0.000 0.193 252 E C 2.354 178.912 176.600 -0.070 0.000 0.985 252 E CA 1.486 57.828 56.400 -0.097 0.000 0.814 252 E CB -1.015 28.630 29.700 -0.091 0.000 0.752 252 E HN 0.568 nan 8.360 nan 0.000 0.466 253 c N 1.581 120.137 118.600 -0.073 0.000 2.446 253 c HA 0.133 4.530 4.570 -0.288 0.000 0.277 253 c C 3.043 177.094 174.090 -0.065 0.000 1.275 253 c CA 1.310 57.606 56.329 -0.056 0.000 1.727 253 c CB -0.995 41.488 42.510 -0.046 0.000 2.010 253 c HN 0.538 nan 8.230 nan 0.000 0.486 254 A N -0.050 122.720 122.820 -0.084 0.000 1.873 254 A HA -0.152 3.995 4.320 -0.288 0.000 0.215 254 A C 2.078 179.634 177.584 -0.046 0.000 1.186 254 A CA 2.131 54.118 52.037 -0.082 0.000 0.616 254 A CB -0.903 18.047 19.000 -0.083 0.000 0.823 254 A HN 0.669 nan 8.150 nan 0.000 0.442 255 D N 0.120 120.493 120.400 -0.044 0.000 2.088 255 D HA -0.157 4.310 4.640 -0.288 0.000 0.191 255 D C 1.414 177.712 176.300 -0.003 0.000 0.992 255 D CA 1.484 55.471 54.000 -0.023 0.000 0.831 255 D CB -0.335 40.437 40.800 -0.046 0.000 0.973 255 D HN 0.357 nan 8.370 nan 0.000 0.447 256 D N -0.255 120.140 120.400 -0.009 0.000 2.133 256 D HA -0.207 4.260 4.640 -0.288 0.000 0.195 256 D C 2.245 178.559 176.300 0.023 0.000 0.997 256 D CA 1.903 55.908 54.000 0.008 0.000 0.840 256 D CB -0.208 40.592 40.800 -0.000 0.000 0.947 256 D HN 0.267 nan 8.370 nan 0.000 0.452 257 R N 1.113 121.620 120.500 0.013 0.000 2.091 257 R HA 0.028 4.195 4.340 -0.288 0.000 0.238 257 R C 2.350 178.679 176.300 0.048 0.000 1.136 257 R CA 1.909 58.030 56.100 0.034 0.000 0.959 257 R CB -1.418 28.880 30.300 -0.004 0.000 0.856 257 R HN 0.305 nan 8.270 nan 0.000 0.437 258 A N 1.466 124.306 122.820 0.033 0.000 1.933 258 A HA -0.145 4.002 4.320 -0.288 0.000 0.218 258 A C 1.986 179.607 177.584 0.062 0.000 1.175 258 A CA 1.609 53.673 52.037 0.045 0.000 0.628 258 A CB -0.279 18.742 19.000 0.035 0.000 0.814 258 A HN 0.544 nan 8.150 nan 0.000 0.444 259 D N -0.512 119.924 120.400 0.060 0.000 2.144 259 D HA -0.107 4.360 4.640 -0.288 0.000 0.200 259 D C 1.775 178.138 176.300 0.104 0.000 0.978 259 D CA 0.833 54.877 54.000 0.074 0.000 0.833 259 D CB -0.290 40.544 40.800 0.058 0.000 0.961 259 D HN 0.315 nan 8.370 nan 0.000 0.470 260 L N 1.048 122.330 121.223 0.097 0.000 2.027 260 L HA -0.011 4.156 4.340 -0.288 0.000 0.206 260 L C 2.129 179.096 176.870 0.162 0.000 1.074 260 L CA 1.597 56.515 54.840 0.130 0.000 0.745 260 L CB -1.120 41.009 42.059 0.117 0.000 0.898 260 L HN -0.029 nan 8.230 nan 0.000 0.433 261 A N -0.591 122.302 122.820 0.122 0.000 1.908 261 A HA -0.279 3.868 4.320 -0.288 0.000 0.218 261 A C 2.459 180.096 177.584 0.088 0.000 1.181 261 A CA 2.022 54.120 52.037 0.102 0.000 0.627 261 A CB -0.623 18.428 19.000 0.085 0.000 0.818 261 A HN 0.504 nan 8.150 nan 0.000 0.445 262 K N -1.723 118.734 120.400 0.095 0.000 2.032 262 K HA -0.230 3.918 4.320 -0.288 0.000 0.209 262 K C 1.957 178.606 176.600 0.082 0.000 1.048 262 K CA 1.922 58.256 56.287 0.078 0.000 0.927 262 K CB -0.431 32.120 32.500 0.085 0.000 0.712 262 K HN 0.522 nan 8.250 nan 0.000 0.441 263 Y N 1.597 121.904 120.300 0.013 0.000 2.070 263 Y HA -0.227 4.149 4.550 -0.289 0.000 0.279 263 Y C 1.958 177.849 175.900 -0.015 0.000 1.134 263 Y CA 2.014 60.115 58.100 0.002 0.000 1.113 263 Y CB -0.405 38.059 38.460 0.007 0.000 0.981 263 Y HN 0.022 nan 8.280 nan 0.000 0.487 264 I N -0.761 119.852 120.570 0.072 0.000 2.185 264 I HA -0.458 3.539 4.170 -0.288 0.000 0.246 264 I C 2.553 178.577 176.117 -0.154 0.000 1.088 264 I CA 1.575 62.839 61.300 -0.060 0.000 1.347 264 I CB -0.762 37.260 38.000 0.036 0.000 1.041 264 I HN 0.385 nan 8.210 nan 0.000 0.415 265 c N 0.513 119.060 118.600 -0.088 0.000 2.446 265 c HA -0.093 4.304 4.570 -0.288 0.000 0.279 265 c C 3.226 177.245 174.090 -0.118 0.000 1.366 265 c CA 1.345 57.626 56.329 -0.080 0.000 1.763 265 c CB -1.222 41.273 42.510 -0.026 0.000 1.929 265 c HN 0.633 nan 8.230 nan 0.000 0.509 266 E N 1.339 121.438 120.200 -0.168 0.000 2.016 266 E HA -0.191 3.986 4.350 -0.288 0.000 0.190 266 E C 1.464 177.923 176.600 -0.235 0.000 0.985 266 E CA 1.665 57.957 56.400 -0.180 0.000 0.802 266 E CB -0.995 28.597 29.700 -0.180 0.000 0.762 266 E HN 0.795 nan 8.360 nan 0.000 0.448 267 N N 0.231 118.690 118.700 -0.402 0.000 2.512 267 N HA -0.036 4.531 4.740 -0.288 0.000 0.183 267 N C 1.584 176.951 175.510 -0.238 0.000 1.073 267 N CA 0.652 53.489 53.050 -0.355 0.000 0.911 267 N CB 0.013 38.167 38.487 -0.556 0.000 0.964 267 N HN 0.502 nan 8.380 nan 0.000 0.447 268 Q N 0.860 120.528 119.800 -0.221 0.000 2.440 268 Q HA -0.374 3.793 4.340 -0.288 0.000 0.228 268 Q C 0.614 176.532 176.000 -0.138 0.000 1.100 268 Q CA 2.474 58.177 55.803 -0.168 0.000 0.991 268 Q CB -0.559 28.108 28.738 -0.117 0.000 1.027 268 Q HN 0.553 nan 8.270 nan 0.000 0.528 269 D N -0.802 119.537 120.400 -0.101 0.000 2.322 269 D HA -0.120 4.348 4.640 -0.288 0.000 0.210 269 D C 1.774 178.033 176.300 -0.068 0.000 0.983 269 D CA 1.314 55.272 54.000 -0.070 0.000 0.902 269 D CB -0.131 40.638 40.800 -0.052 0.000 0.905 269 D HN 0.223 nan 8.370 nan 0.000 0.483 270 S N 0.139 115.784 115.700 -0.091 0.000 2.377 270 S HA -0.003 4.294 4.470 -0.288 0.000 0.223 270 S C 2.076 176.626 174.600 -0.082 0.000 1.030 270 S CA 0.266 58.423 58.200 -0.072 0.000 0.970 270 S CB 0.233 63.386 63.200 -0.078 0.000 0.830 270 S HN 0.161 nan 8.310 nan 0.000 0.473 271 I N 0.058 120.530 120.570 -0.163 0.000 2.404 271 I HA 0.095 4.092 4.170 -0.288 0.000 0.231 271 I C 1.147 177.116 176.117 -0.246 0.000 1.064 271 I CA 0.556 61.690 61.300 -0.277 0.000 1.383 271 I CB -0.041 37.642 38.000 -0.528 0.000 1.171 271 I HN 0.131 nan 8.210 nan 0.000 0.422 272 S N -1.621 113.921 115.700 -0.263 0.000 2.627 272 S HA 0.373 4.670 4.470 -0.288 0.000 0.283 272 S C 0.436 175.013 174.600 -0.040 0.000 1.127 272 S CA -0.128 58.028 58.200 -0.074 0.000 0.863 272 S CB 1.582 64.808 63.200 0.043 0.000 1.121 272 S HN 0.205 nan 8.310 nan 0.000 0.479 273 S N 1.006 116.713 115.700 0.012 0.000 2.502 273 S HA 0.202 4.499 4.470 -0.288 0.000 0.215 273 S C 0.690 175.300 174.600 0.017 0.000 1.009 273 S CA -0.040 58.163 58.200 0.005 0.000 0.908 273 S CB -0.158 63.047 63.200 0.008 0.000 0.801 273 S HN 0.638 nan 8.310 nan 0.000 0.505 274 K N 1.366 121.791 120.400 0.042 0.000 2.476 274 K HA 0.270 4.417 4.320 -0.288 0.000 0.196 274 K C 0.942 177.571 176.600 0.049 0.000 1.025 274 K CA 0.025 56.340 56.287 0.047 0.000 1.138 274 K CB -0.052 32.486 32.500 0.063 0.000 0.860 274 K HN 0.435 nan 8.250 nan 0.000 0.515 275 L N 0.780 122.020 121.223 0.029 0.000 2.529 275 L HA -0.041 4.126 4.340 -0.288 0.000 0.223 275 L C 2.737 179.614 176.870 0.011 0.000 1.113 275 L CA 0.421 55.272 54.840 0.019 0.000 0.861 275 L CB -0.565 41.479 42.059 -0.024 0.000 1.012 275 L HN 0.136 nan 8.230 nan 0.000 0.461 276 K N 0.881 121.286 120.400 0.007 0.000 2.107 276 K HA -0.295 3.852 4.320 -0.288 0.000 0.211 276 K C 1.976 178.585 176.600 0.015 0.000 1.049 276 K CA 2.355 58.646 56.287 0.006 0.000 0.927 276 K CB -1.479 31.024 32.500 0.006 0.000 0.714 276 K HN 0.562 nan 8.250 nan 0.000 0.452 277 E N -0.787 119.427 120.200 0.024 0.000 2.385 277 E HA 0.094 4.271 4.350 -0.288 0.000 0.194 277 E C 2.072 178.696 176.600 0.040 0.000 1.013 277 E CA 0.942 57.361 56.400 0.032 0.000 0.866 277 E CB -0.970 28.751 29.700 0.035 0.000 0.832 277 E HN 0.740 nan 8.360 nan 0.000 0.500 278 c N -0.773 117.852 118.600 0.042 0.000 2.485 278 c HA 0.042 4.439 4.570 -0.288 0.000 0.277 278 c C 2.599 176.716 174.090 0.045 0.000 1.376 278 c CA 0.422 56.782 56.329 0.051 0.000 1.759 278 c CB -0.811 41.732 42.510 0.055 0.000 1.970 278 c HN 0.791 nan 8.230 nan 0.000 0.509 279 c N 0.507 119.124 118.600 0.029 0.000 2.522 279 c HA 0.011 4.408 4.570 -0.288 0.000 0.271 279 c C 1.795 175.899 174.090 0.024 0.000 1.425 279 c CA 0.602 56.944 56.329 0.021 0.000 1.751 279 c CB -1.631 40.880 42.510 0.002 0.000 1.775 279 c HN 0.611 nan 8.230 nan 0.000 0.557 280 E N 0.775 120.992 120.200 0.028 0.000 2.370 280 E HA 0.096 4.273 4.350 -0.288 0.000 0.194 280 E C 0.296 176.917 176.600 0.035 0.000 1.057 280 E CA 0.076 56.492 56.400 0.027 0.000 1.011 280 E CB 0.057 29.771 29.700 0.024 0.000 1.132 280 E HN 0.720 nan 8.360 nan 0.000 0.450 281 K N -1.604 118.822 120.400 0.044 0.000 2.466 281 K HA 0.522 4.669 4.320 -0.288 0.000 0.277 281 K C -2.913 173.722 176.600 0.058 0.000 1.039 281 K CA -2.259 54.059 56.287 0.052 0.000 0.904 281 K CB -0.021 32.517 32.500 0.063 0.000 1.506 281 K HN -0.288 nan 8.250 nan 0.000 0.441 282 P HA -0.138 nan 4.420 nan 0.000 0.268 282 P C 0.631 177.980 177.300 0.080 0.000 1.189 282 P CA -0.196 62.944 63.100 0.065 0.000 0.771 282 P CB 0.294 32.033 31.700 0.066 0.000 0.822 283 L N 3.884 125.150 121.223 0.072 0.000 1.956 283 L HA -0.220 3.947 4.340 -0.288 0.000 0.216 283 L C 1.970 178.901 176.870 0.102 0.000 1.073 283 L CA 1.992 56.877 54.840 0.075 0.000 0.762 283 L CB -1.343 40.753 42.059 0.061 0.000 0.889 283 L HN 0.302 nan 8.230 nan 0.000 0.433 284 L N -0.189 121.108 121.223 0.123 0.000 2.021 284 L HA -0.265 3.902 4.340 -0.288 0.000 0.215 284 L C 3.069 180.109 176.870 0.282 0.000 1.074 284 L CA 2.427 57.383 54.840 0.193 0.000 0.760 284 L CB -1.713 40.469 42.059 0.206 0.000 0.889 284 L HN 0.650 nan 8.230 nan 0.000 0.433 285 E N 0.679 121.049 120.200 0.282 0.000 2.152 285 E HA -0.260 3.917 4.350 -0.288 0.000 0.192 285 E C 2.139 178.843 176.600 0.174 0.000 0.983 285 E CA 1.415 58.007 56.400 0.320 0.000 0.818 285 E CB -0.380 29.471 29.700 0.252 0.000 0.758 285 E HN 0.495 nan 8.360 nan 0.000 0.467 286 K N 0.035 120.512 120.400 0.128 0.000 2.097 286 K HA -0.062 4.085 4.320 -0.288 0.000 0.205 286 K C 2.535 179.184 176.600 0.082 0.000 1.050 286 K CA 1.384 57.727 56.287 0.092 0.000 0.938 286 K CB -0.186 32.360 32.500 0.076 0.000 0.718 286 K HN 0.291 nan 8.250 nan 0.000 0.442 287 S N -0.480 115.270 115.700 0.084 0.000 2.345 287 S HA -0.173 4.124 4.470 -0.288 0.000 0.220 287 S C 1.746 176.371 174.600 0.042 0.000 1.031 287 S CA 1.492 59.736 58.200 0.073 0.000 0.996 287 S CB -0.441 62.802 63.200 0.071 0.000 0.882 287 S HN 0.563 nan 8.310 nan 0.000 0.445 288 H N -0.475 118.495 119.070 -0.167 0.000 2.456 288 H HA -0.061 4.321 4.556 -0.291 0.000 0.296 288 H C 2.314 177.529 175.328 -0.188 0.000 1.079 288 H CA 1.600 57.444 56.048 -0.341 0.000 1.322 288 H CB -0.377 28.734 29.762 -1.085 0.000 1.388 288 H HN 0.432 nan 8.280 nan 0.000 0.538 289 c N -0.335 118.270 118.600 0.009 0.000 2.508 289 c HA -0.039 4.359 4.570 -0.288 0.000 0.280 289 c C 2.673 176.769 174.090 0.010 0.000 1.262 289 c CA 0.904 57.250 56.329 0.029 0.000 1.706 289 c CB -1.178 41.378 42.510 0.078 0.000 2.078 289 c HN 0.699 nan 8.230 nan 0.000 0.480 290 I N 1.895 122.494 120.570 0.047 0.000 2.194 290 I HA -0.218 3.779 4.170 -0.288 0.000 0.246 290 I C 2.744 178.917 176.117 0.093 0.000 1.093 290 I CA 1.874 63.230 61.300 0.093 0.000 1.355 290 I CB -0.584 37.484 38.000 0.113 0.000 1.046 290 I HN 0.429 nan 8.210 nan 0.000 0.413 291 A N -0.130 122.717 122.820 0.045 0.000 2.178 291 A HA -0.121 4.026 4.320 -0.288 0.000 0.218 291 A C 1.589 179.152 177.584 -0.035 0.000 1.157 291 A CA 1.331 53.390 52.037 0.037 0.000 0.689 291 A CB -0.307 18.721 19.000 0.046 0.000 0.787 291 A HN 0.518 nan 8.150 nan 0.000 0.465 292 E N -0.553 119.597 120.200 -0.084 0.000 2.887 292 E HA 0.203 4.380 4.350 -0.288 0.000 0.206 292 E C -0.588 175.991 176.600 -0.035 0.000 0.983 292 E CA -0.228 56.118 56.400 -0.090 0.000 1.141 292 E CB 0.394 29.983 29.700 -0.185 0.000 1.061 292 E HN 0.225 nan 8.360 nan 0.000 0.468 293 V N 2.482 122.398 119.914 0.004 0.000 2.775 293 V HA 0.016 3.963 4.120 -0.288 0.000 0.299 293 V C 0.328 176.421 176.094 -0.000 0.000 1.062 293 V CA -0.138 62.182 62.300 0.033 0.000 1.063 293 V CB 1.290 33.178 31.823 0.108 0.000 0.994 293 V HN 0.344 nan 8.190 nan 0.000 0.483 294 E N 5.627 125.830 120.200 0.005 0.000 2.354 294 E HA 0.233 4.410 4.350 -0.288 0.000 0.269 294 E C -0.049 176.534 176.600 -0.028 0.000 1.036 294 E CA -0.694 55.692 56.400 -0.023 0.000 0.876 294 E CB 0.176 29.869 29.700 -0.011 0.000 1.009 294 E HN 0.826 nan 8.360 nan 0.000 0.416 295 N N 1.941 120.595 118.700 -0.078 0.000 2.292 295 N HA -0.020 4.547 4.740 -0.288 0.000 0.242 295 N C -0.130 175.369 175.510 -0.019 0.000 1.243 295 N CA 0.235 53.230 53.050 -0.092 0.000 0.851 295 N CB 0.148 38.560 38.487 -0.125 0.000 1.093 295 N HN 0.740 nan 8.380 nan 0.000 0.450 296 D N 0.356 120.773 120.400 0.030 0.000 2.398 296 D HA 0.556 5.023 4.640 -0.288 0.000 0.247 296 D C 0.229 176.530 176.300 0.003 0.000 1.227 296 D CA 0.333 54.364 54.000 0.053 0.000 0.980 296 D CB 0.685 41.556 40.800 0.118 0.000 1.106 296 D HN 0.676 nan 8.370 nan 0.000 0.493 297 E N -0.732 119.468 120.200 0.001 0.000 0.000 297 E HA 0.603 4.781 4.350 -0.288 0.000 0.000 297 E C -0.997 nan 176.600 nan 0.000 0.000 297 E CA -0.239 56.148 56.400 -0.022 0.000 0.000 297 E CB 0.445 30.135 29.700 -0.016 0.000 0.000 297 E HN 0.778 nan 8.360 nan 0.000 0.000 298 M N -1.260 118.301 119.600 -0.065 0.000 0.000 298 M HA 0.594 4.901 4.480 -0.288 0.000 0.000 298 M C -2.939 173.321 176.300 -0.067 0.000 0.000 298 M CA -1.419 53.834 55.300 -0.078 0.000 0.000 298 M CB 1.278 33.801 32.600 -0.129 0.000 0.000 298 M HN 0.418 nan 8.290 nan 0.000 0.000 299 P HA 0.033 nan 4.420 nan 0.000 0.261 299 P C 0.543 177.813 177.300 -0.050 0.000 1.158 299 P CA 1.018 64.095 63.100 -0.039 0.000 0.758 299 P CB 0.528 32.210 31.700 -0.029 0.000 0.763 300 A N 3.697 126.495 122.820 -0.036 0.000 1.908 300 A HA -0.094 4.053 4.320 -0.288 0.000 0.211 300 A C 1.319 178.878 177.584 -0.041 0.000 1.225 300 A CA 2.050 54.065 52.037 -0.037 0.000 0.689 300 A CB -1.802 17.183 19.000 -0.024 0.000 0.843 300 A HN 0.624 nan 8.150 nan 0.000 0.472 301 D N -0.193 120.190 120.400 -0.029 0.000 2.402 301 D HA 0.547 5.014 4.640 -0.288 0.000 0.235 301 D C -0.480 175.803 176.300 -0.028 0.000 1.226 301 D CA -0.096 53.888 54.000 -0.026 0.000 0.918 301 D CB -0.288 40.503 40.800 -0.015 0.000 1.043 301 D HN 0.381 nan 8.370 nan 0.000 0.506 302 L N 2.639 123.835 121.223 -0.044 0.000 2.322 302 L HA 0.524 4.692 4.340 -0.288 0.000 0.281 302 L C -1.470 175.377 176.870 -0.038 0.000 1.014 302 L CA -1.525 53.286 54.840 -0.048 0.000 0.815 302 L CB 2.239 44.245 42.059 -0.089 0.000 1.247 302 L HN 0.488 nan 8.230 nan 0.000 0.421 303 P HA 0.084 nan 4.420 nan 0.000 0.274 303 P C -0.564 176.736 177.300 0.000 0.000 1.260 303 P CA -0.415 62.687 63.100 0.003 0.000 0.793 303 P CB 0.839 32.554 31.700 0.025 0.000 1.048 304 S N -0.798 114.919 115.700 0.027 0.000 2.586 304 S HA 0.179 4.477 4.470 -0.288 0.000 0.274 304 S C 1.432 176.098 174.600 0.110 0.000 1.281 304 S CA -0.692 57.535 58.200 0.046 0.000 1.035 304 S CB 0.028 63.268 63.200 0.067 0.000 0.962 304 S HN 0.376 nan 8.310 nan 0.000 0.512 305 L N 3.940 125.245 121.223 0.136 0.000 2.046 305 L HA -0.038 4.129 4.340 -0.288 0.000 0.208 305 L C 2.848 179.977 176.870 0.432 0.000 1.077 305 L CA 1.630 56.643 54.840 0.288 0.000 0.747 305 L CB -0.779 41.376 42.059 0.160 0.000 0.896 305 L HN 0.899 nan 8.230 nan 0.000 0.432 306 A N 0.026 123.041 122.820 0.324 0.000 1.958 306 A HA -0.309 3.838 4.320 -0.288 0.000 0.221 306 A C 2.516 180.166 177.584 0.110 0.000 1.178 306 A CA 1.983 54.072 52.037 0.087 0.000 0.642 306 A CB -0.869 18.126 19.000 -0.008 0.000 0.816 306 A HN 0.451 nan 8.150 nan 0.000 0.453 307 A N 0.303 123.199 122.820 0.126 0.000 1.852 307 A HA -0.268 3.879 4.320 -0.288 0.000 0.217 307 A C 1.599 179.217 177.584 0.058 0.000 1.215 307 A CA 2.255 54.343 52.037 0.086 0.000 0.641 307 A CB -0.826 18.219 19.000 0.074 0.000 0.838 307 A HN 0.518 nan 8.150 nan 0.000 0.450 308 D N -2.343 118.065 120.400 0.013 0.000 2.349 308 D HA 0.221 4.688 4.640 -0.288 0.000 0.214 308 D C 0.679 176.749 176.300 -0.382 0.000 1.063 308 D CA 0.295 54.172 54.000 -0.205 0.000 0.847 308 D CB 0.079 40.653 40.800 -0.378 0.000 0.933 308 D HN 0.473 nan 8.370 nan 0.000 0.513 309 F N -0.488 119.569 119.950 0.180 0.000 2.724 309 F HA 0.149 4.504 4.527 -0.286 0.000 0.306 309 F C 1.676 177.553 175.800 0.129 0.000 1.100 309 F CA -0.132 58.000 58.000 0.220 0.000 1.255 309 F CB 0.783 39.906 39.000 0.205 0.000 1.072 309 F HN -0.067 nan 8.300 nan 0.000 0.589 310 V N -5.405 114.601 119.914 0.154 0.000 3.221 310 V HA 0.267 4.214 4.120 -0.288 0.000 0.254 310 V C 1.230 177.440 176.094 0.194 0.000 1.586 310 V CA 0.083 62.426 62.300 0.071 0.000 1.074 310 V CB 0.261 31.976 31.823 -0.179 0.000 0.912 310 V HN 0.057 nan 8.190 nan 0.000 0.426 311 E N 1.686 121.977 120.200 0.152 0.000 2.166 311 E HA 0.180 4.357 4.350 -0.288 0.000 0.192 311 E C 1.320 178.096 176.600 0.294 0.000 0.967 311 E CA 0.736 57.277 56.400 0.235 0.000 0.840 311 E CB 0.376 30.155 29.700 0.132 0.000 0.795 311 E HN 0.584 nan 8.360 nan 0.000 0.470 312 S N 0.090 115.901 115.700 0.186 0.000 2.566 312 S HA 0.072 4.369 4.470 -0.288 0.000 0.280 312 S C 0.962 175.695 174.600 0.221 0.000 1.343 312 S CA 0.728 59.010 58.200 0.137 0.000 1.036 312 S CB 1.173 64.411 63.200 0.063 0.000 0.866 312 S HN 0.214 nan 8.310 nan 0.000 0.526 313 K N 1.800 122.276 120.400 0.126 0.000 2.393 313 K HA 0.143 4.290 4.320 -0.288 0.000 0.193 313 K C 1.216 177.880 176.600 0.107 0.000 1.026 313 K CA 0.928 57.291 56.287 0.126 0.000 1.064 313 K CB -0.479 32.020 32.500 -0.002 0.000 0.833 313 K HN 0.840 nan 8.250 nan 0.000 0.521 314 D N 0.323 120.759 120.400 0.060 0.000 2.323 314 D HA -0.026 4.441 4.640 -0.288 0.000 0.209 314 D C 1.697 177.970 176.300 -0.046 0.000 0.973 314 D CA 0.648 54.650 54.000 0.003 0.000 0.874 314 D CB 0.197 40.982 40.800 -0.024 0.000 0.930 314 D HN 0.131 nan 8.370 nan 0.000 0.521 315 V N 1.715 121.617 119.914 -0.020 0.000 2.258 315 V HA -0.429 3.518 4.120 -0.288 0.000 0.252 315 V C 2.769 178.739 176.094 -0.207 0.000 1.039 315 V CA 2.031 64.246 62.300 -0.142 0.000 1.060 315 V CB -1.166 30.531 31.823 -0.209 0.000 0.690 315 V HN 0.354 nan 8.190 nan 0.000 0.482 316 c N -0.115 118.456 118.600 -0.048 0.000 2.391 316 c HA -0.283 4.114 4.570 -0.288 0.000 0.276 316 c C 3.114 177.201 174.090 -0.005 0.000 1.191 316 c CA 2.040 58.386 56.329 0.030 0.000 1.808 316 c CB -1.580 41.000 42.510 0.117 0.000 2.095 316 c HN 0.794 nan 8.230 nan 0.000 0.478 317 K N 0.379 120.749 120.400 -0.052 0.000 2.001 317 K HA -0.144 4.003 4.320 -0.288 0.000 0.208 317 K C 1.651 178.165 176.600 -0.143 0.000 1.048 317 K CA 1.842 58.086 56.287 -0.071 0.000 0.932 317 K CB -0.978 31.490 32.500 -0.053 0.000 0.715 317 K HN 0.676 nan 8.250 nan 0.000 0.437 318 N N -0.783 117.761 118.700 -0.260 0.000 2.223 318 N HA -0.122 4.445 4.740 -0.288 0.000 0.185 318 N C 1.756 176.994 175.510 -0.452 0.000 1.016 318 N CA 1.564 54.386 53.050 -0.379 0.000 0.863 318 N CB -0.251 37.891 38.487 -0.576 0.000 0.983 318 N HN 0.595 nan 8.380 nan 0.000 0.429 319 Y N 1.825 121.724 120.300 -0.668 0.000 2.242 319 Y HA -0.041 4.336 4.550 -0.289 0.000 0.291 319 Y C 2.300 178.123 175.900 -0.129 0.000 1.137 319 Y CA 1.114 58.992 58.100 -0.370 0.000 1.181 319 Y CB -0.475 37.839 38.460 -0.243 0.000 0.989 319 Y HN 0.034 nan 8.280 nan 0.000 0.527 320 A N 0.456 123.145 122.820 -0.218 0.000 1.873 320 A HA -0.087 4.060 4.320 -0.288 0.000 0.215 320 A C 2.222 179.702 177.584 -0.172 0.000 1.186 320 A CA 2.224 54.123 52.037 -0.230 0.000 0.616 320 A CB -1.470 17.465 19.000 -0.108 0.000 0.823 320 A HN 0.548 nan 8.150 nan 0.000 0.442 321 E N -0.173 119.954 120.200 -0.121 0.000 2.007 321 E HA 0.146 4.323 4.350 -0.288 0.000 0.203 321 E C 1.247 177.818 176.600 -0.048 0.000 1.020 321 E CA 1.654 58.013 56.400 -0.068 0.000 0.845 321 E CB -0.894 28.777 29.700 -0.049 0.000 0.779 321 E HN 1.545 nan 8.360 nan 0.000 0.466 322 A N 0.286 123.096 122.820 -0.016 0.000 2.893 322 A HA 0.523 4.670 4.320 -0.288 0.000 0.333 322 A C 1.051 178.694 177.584 0.098 0.000 1.152 322 A CA 0.495 52.559 52.037 0.044 0.000 0.782 322 A CB 0.626 19.688 19.000 0.102 0.000 1.108 322 A HN 0.434 nan 8.150 nan 0.000 0.469 323 K N 1.070 121.458 120.400 -0.020 0.000 2.020 323 K HA -0.223 3.925 4.320 -0.288 0.000 0.212 323 K C 0.804 177.570 176.600 0.276 0.000 1.050 323 K CA 2.421 58.723 56.287 0.024 0.000 0.929 323 K CB -0.123 32.157 32.500 -0.366 0.000 0.714 323 K HN 0.376 nan 8.250 nan 0.000 0.443 324 D N 0.166 120.679 120.400 0.188 0.000 2.123 324 D HA -0.124 4.343 4.640 -0.288 0.000 0.196 324 D C 1.967 178.434 176.300 0.278 0.000 0.992 324 D CA 1.454 55.587 54.000 0.221 0.000 0.833 324 D CB -0.093 40.803 40.800 0.160 0.000 0.954 324 D HN 0.164 nan 8.370 nan 0.000 0.455 325 V N 0.474 120.559 119.914 0.286 0.000 2.453 325 V HA -0.182 3.765 4.120 -0.288 0.000 0.247 325 V C 2.103 178.410 176.094 0.355 0.000 1.048 325 V CA 0.990 63.501 62.300 0.351 0.000 1.049 325 V CB -0.524 31.488 31.823 0.314 0.000 0.672 325 V HN 0.088 nan 8.190 nan 0.000 0.457 326 F N 0.644 120.728 119.950 0.223 0.000 2.075 326 F HA -0.145 4.210 4.527 -0.287 0.000 0.297 326 F C 2.090 178.101 175.800 0.352 0.000 1.113 326 F CA 1.601 59.763 58.000 0.269 0.000 1.218 326 F CB -0.388 38.802 39.000 0.316 0.000 0.984 326 F HN -0.006 nan 8.300 nan 0.000 0.472 327 L N -0.385 121.068 121.223 0.383 0.000 2.083 327 L HA -0.167 4.000 4.340 -0.288 0.000 0.209 327 L C 2.734 179.736 176.870 0.220 0.000 1.083 327 L CA 1.313 56.328 54.840 0.293 0.000 0.752 327 L CB -1.555 40.709 42.059 0.342 0.000 0.899 327 L HN 0.348 nan 8.230 nan 0.000 0.433 328 G N -0.542 108.403 108.800 0.242 0.000 2.440 328 G HA2 -0.303 3.484 3.960 -0.288 0.000 0.218 328 G HA3 -0.303 3.484 3.960 -0.288 0.000 0.218 328 G C 1.641 176.607 174.900 0.110 0.000 1.154 328 G CA 0.673 45.945 45.100 0.287 0.000 0.767 328 G HN 0.196 nan 8.290 nan 0.000 0.552 329 M N -0.776 118.673 119.600 -0.252 0.000 2.175 329 M HA 0.085 4.392 4.480 -0.288 0.000 0.264 329 M C 2.193 178.392 176.300 -0.167 0.000 1.063 329 M CA 1.072 56.018 55.300 -0.590 0.000 1.119 329 M CB -0.170 32.141 32.600 -0.482 0.000 1.377 329 M HN 0.305 nan 8.290 nan 0.000 0.415 330 F N 0.603 120.321 119.950 -0.386 0.000 2.075 330 F HA -0.262 4.092 4.527 -0.289 0.000 0.297 330 F C 1.839 177.348 175.800 -0.485 0.000 1.113 330 F CA 1.511 58.996 58.000 -0.857 0.000 1.218 330 F CB -0.651 37.826 39.000 -0.871 0.000 0.984 330 F HN 0.040 nan 8.300 nan 0.000 0.472 331 L N 0.159 121.192 121.223 -0.317 0.000 2.043 331 L HA -0.245 3.922 4.340 -0.288 0.000 0.212 331 L C 2.320 179.045 176.870 -0.241 0.000 1.075 331 L CA 2.293 56.943 54.840 -0.317 0.000 0.752 331 L CB -1.679 40.343 42.059 -0.063 0.000 0.891 331 L HN 0.492 nan 8.230 nan 0.000 0.432 332 Y N -0.133 120.055 120.300 -0.187 0.000 2.242 332 Y HA -0.158 4.218 4.550 -0.290 0.000 0.291 332 Y C 2.261 178.059 175.900 -0.171 0.000 1.137 332 Y CA 1.823 59.871 58.100 -0.087 0.000 1.181 332 Y CB -0.123 38.426 38.460 0.148 0.000 0.989 332 Y HN 0.260 nan 8.280 nan 0.000 0.527 333 E N -0.887 119.049 120.200 -0.441 0.000 2.216 333 E HA -0.167 4.010 4.350 -0.288 0.000 0.192 333 E C 1.636 177.910 176.600 -0.544 0.000 0.988 333 E CA 0.833 56.910 56.400 -0.537 0.000 0.834 333 E CB -0.404 29.117 29.700 -0.300 0.000 0.772 333 E HN 0.600 nan 8.360 nan 0.000 0.479 334 Y N 0.797 120.648 120.300 -0.747 0.000 2.314 334 Y HA 0.058 4.436 4.550 -0.287 0.000 0.294 334 Y C 2.218 177.821 175.900 -0.495 0.000 1.119 334 Y CA 0.898 58.581 58.100 -0.695 0.000 1.179 334 Y CB -0.148 37.681 38.460 -1.053 0.000 1.025 334 Y HN -0.011 nan 8.280 nan 0.000 0.541 335 A N 0.986 123.648 122.820 -0.263 0.000 1.897 335 A HA -0.156 3.991 4.320 -0.288 0.000 0.215 335 A C 2.333 179.753 177.584 -0.274 0.000 1.181 335 A CA 1.584 53.476 52.037 -0.242 0.000 0.620 335 A CB -0.703 18.149 19.000 -0.247 0.000 0.821 335 A HN 0.527 nan 8.150 nan 0.000 0.443 336 R N 0.558 120.840 120.500 -0.363 0.000 2.127 336 R HA -0.160 4.007 4.340 -0.288 0.000 0.238 336 R C 1.566 177.673 176.300 -0.321 0.000 1.134 336 R CA 1.741 57.632 56.100 -0.348 0.000 0.975 336 R CB -0.433 29.582 30.300 -0.475 0.000 0.865 336 R HN 0.600 nan 8.270 nan 0.000 0.447 337 R N -0.557 119.715 120.500 -0.379 0.000 2.359 337 R HA 0.165 4.332 4.340 -0.288 0.000 0.231 337 R C -0.127 175.764 176.300 -0.682 0.000 0.913 337 R CA 0.029 55.847 56.100 -0.469 0.000 1.075 337 R CB 0.182 30.179 30.300 -0.506 0.000 1.087 337 R HN 0.283 nan 8.270 nan 0.000 0.515 338 H N 1.443 120.275 119.070 -0.396 0.000 2.439 338 H HA 0.203 4.586 4.556 -0.289 0.000 0.228 338 H C -2.019 173.116 175.328 -0.321 0.000 1.423 338 H CA -1.738 54.020 56.048 -0.484 0.000 1.386 338 H CB 1.731 30.963 29.762 -0.884 0.000 1.641 338 H HN 0.057 nan 8.280 nan 0.000 0.508 339 P HA -0.048 nan 4.420 nan 0.000 0.237 339 P C 0.786 178.054 177.300 -0.054 0.000 1.178 339 P CA 0.588 63.616 63.100 -0.121 0.000 0.766 339 P CB 0.342 31.959 31.700 -0.138 0.000 0.876 340 D N -2.296 118.105 120.400 0.002 0.000 2.340 340 D HA -0.073 4.394 4.640 -0.288 0.000 0.220 340 D C 0.046 176.497 176.300 0.251 0.000 1.039 340 D CA -0.005 54.050 54.000 0.093 0.000 0.866 340 D CB -0.582 40.288 40.800 0.116 0.000 0.913 340 D HN 0.092 nan 8.370 nan 0.000 0.523 341 Y N 1.598 121.864 120.300 -0.055 0.000 2.361 341 Y HA 0.347 4.723 4.550 -0.290 0.000 0.332 341 Y C 0.976 176.797 175.900 -0.131 0.000 1.101 341 Y CA -2.358 55.676 58.100 -0.110 0.000 1.137 341 Y CB 1.598 39.962 38.460 -0.160 0.000 1.207 341 Y HN -0.125 nan 8.280 nan 0.000 0.463 342 S N 0.422 116.108 115.700 -0.022 0.000 2.593 342 S HA 0.208 4.505 4.470 -0.288 0.000 0.269 342 S C 0.915 175.464 174.600 -0.086 0.000 1.334 342 S CA -0.677 57.487 58.200 -0.060 0.000 1.015 342 S CB 1.034 64.189 63.200 -0.075 0.000 0.912 342 S HN 0.428 nan 8.310 nan 0.000 0.541 343 V N 1.967 121.819 119.914 -0.103 0.000 2.407 343 V HA -0.153 3.794 4.120 -0.288 0.000 0.248 343 V C 2.433 178.451 176.094 -0.127 0.000 1.055 343 V CA 1.890 64.090 62.300 -0.166 0.000 1.049 343 V CB -0.989 30.683 31.823 -0.253 0.000 0.662 343 V HN 0.882 nan 8.190 nan 0.000 0.455 344 V N -1.399 118.471 119.914 -0.073 0.000 2.970 344 V HA -0.121 3.826 4.120 -0.288 0.000 0.260 344 V C 2.230 178.244 176.094 -0.134 0.000 1.100 344 V CA 1.485 63.739 62.300 -0.078 0.000 1.122 344 V CB -0.801 30.988 31.823 -0.057 0.000 0.721 344 V HN 0.480 nan 8.190 nan 0.000 0.483 345 L N 0.019 121.140 121.223 -0.170 0.000 2.068 345 L HA 0.112 4.280 4.340 -0.288 0.000 0.204 345 L C 2.225 178.920 176.870 -0.291 0.000 1.076 345 L CA 1.644 56.333 54.840 -0.251 0.000 0.753 345 L CB -0.459 41.392 42.059 -0.348 0.000 0.910 345 L HN 0.189 nan 8.230 nan 0.000 0.439 346 L N -0.885 120.190 121.223 -0.247 0.000 2.187 346 L HA -0.219 3.948 4.340 -0.288 0.000 0.213 346 L C 2.375 179.064 176.870 -0.303 0.000 1.100 346 L CA 1.076 55.725 54.840 -0.319 0.000 0.765 346 L CB -0.454 41.451 42.059 -0.258 0.000 0.904 346 L HN 0.323 nan 8.230 nan 0.000 0.437 347 L N -1.218 119.880 121.223 -0.209 0.000 2.270 347 L HA -0.090 4.077 4.340 -0.288 0.000 0.210 347 L C 2.673 179.465 176.870 -0.131 0.000 1.104 347 L CA 0.657 55.412 54.840 -0.141 0.000 0.804 347 L CB -0.261 41.741 42.059 -0.096 0.000 0.937 347 L HN 0.187 nan 8.230 nan 0.000 0.450 348 R N -0.075 120.322 120.500 -0.171 0.000 2.073 348 R HA -0.050 4.117 4.340 -0.288 0.000 0.229 348 R C 2.272 178.466 176.300 -0.175 0.000 1.120 348 R CA 0.978 56.989 56.100 -0.148 0.000 0.967 348 R CB -0.064 30.140 30.300 -0.161 0.000 0.862 348 R HN 0.283 nan 8.270 nan 0.000 0.436 349 L N -0.167 120.849 121.223 -0.345 0.000 2.017 349 L HA -0.128 4.039 4.340 -0.288 0.000 0.208 349 L C 2.635 179.380 176.870 -0.208 0.000 1.073 349 L CA 1.293 55.788 54.840 -0.576 0.000 0.745 349 L CB -0.655 40.706 42.059 -1.163 0.000 0.894 349 L HN 0.251 nan 8.230 nan 0.000 0.432 350 A N 0.426 123.193 122.820 -0.087 0.000 1.902 350 A HA -0.263 3.884 4.320 -0.288 0.000 0.217 350 A C 2.310 179.971 177.584 0.129 0.000 1.181 350 A CA 2.113 54.251 52.037 0.169 0.000 0.623 350 A CB -0.401 18.662 19.000 0.105 0.000 0.818 350 A HN 0.259 nan 8.150 nan 0.000 0.443 351 K N -0.665 119.767 120.400 0.052 0.000 2.148 351 K HA -0.036 4.111 4.320 -0.288 0.000 0.204 351 K C 1.851 178.496 176.600 0.075 0.000 1.050 351 K CA 2.005 58.325 56.287 0.056 0.000 0.942 351 K CB -0.673 31.837 32.500 0.018 0.000 0.724 351 K HN 0.349 nan 8.250 nan 0.000 0.446 352 T N -0.235 114.383 114.554 0.107 0.000 2.857 352 T HA -0.090 4.087 4.350 -0.288 0.000 0.266 352 T C 1.191 176.014 174.700 0.206 0.000 1.048 352 T CA 1.133 63.332 62.100 0.165 0.000 1.139 352 T CB -0.433 68.591 68.868 0.259 0.000 0.874 352 T HN 0.308 nan 8.240 nan 0.000 0.455 353 Y N 2.033 122.389 120.300 0.093 0.000 2.163 353 Y HA -0.079 4.298 4.550 -0.289 0.000 0.288 353 Y C 2.495 178.294 175.900 -0.168 0.000 1.136 353 Y CA 1.756 59.819 58.100 -0.061 0.000 1.147 353 Y CB -0.239 37.992 38.460 -0.383 0.000 0.987 353 Y HN 0.258 nan 8.280 nan 0.000 0.509 354 E N -0.928 119.228 120.200 -0.074 0.000 2.077 354 E HA -0.198 3.979 4.350 -0.288 0.000 0.193 354 E C 1.878 178.391 176.600 -0.144 0.000 0.989 354 E CA 1.920 58.226 56.400 -0.156 0.000 0.800 354 E CB -0.220 29.511 29.700 0.052 0.000 0.746 354 E HN 0.463 nan 8.360 nan 0.000 0.452 355 T N 0.154 114.679 114.554 -0.048 0.000 2.833 355 T HA -0.116 4.061 4.350 -0.288 0.000 0.269 355 T C 1.795 176.454 174.700 -0.068 0.000 1.054 355 T CA 1.646 63.731 62.100 -0.026 0.000 1.135 355 T CB -0.329 68.545 68.868 0.010 0.000 0.869 355 T HN 0.238 nan 8.240 nan 0.000 0.466 356 T N 2.194 116.676 114.554 -0.119 0.000 2.770 356 T HA 0.122 4.299 4.350 -0.288 0.000 0.263 356 T C 1.939 176.517 174.700 -0.203 0.000 1.039 356 T CA 0.691 62.711 62.100 -0.134 0.000 1.142 356 T CB -0.339 68.450 68.868 -0.132 0.000 0.868 356 T HN 0.254 nan 8.240 nan 0.000 0.435 357 L N 0.738 121.708 121.223 -0.422 0.000 2.191 357 L HA -0.081 4.086 4.340 -0.288 0.000 0.212 357 L C 2.636 179.367 176.870 -0.232 0.000 1.103 357 L CA 1.222 55.761 54.840 -0.502 0.000 0.769 357 L CB -0.433 40.971 42.059 -1.092 0.000 0.908 357 L HN 0.273 nan 8.230 nan 0.000 0.438 358 E N 0.301 120.424 120.200 -0.127 0.000 2.152 358 E HA -0.171 4.006 4.350 -0.288 0.000 0.192 358 E C 2.292 178.913 176.600 0.035 0.000 0.983 358 E CA 1.309 57.739 56.400 0.050 0.000 0.818 358 E CB 0.229 29.974 29.700 0.075 0.000 0.758 358 E HN 0.267 nan 8.360 nan 0.000 0.467 359 K N -1.474 118.925 120.400 -0.001 0.000 2.244 359 K HA 0.127 4.274 4.320 -0.288 0.000 0.200 359 K C 2.184 178.790 176.600 0.010 0.000 1.052 359 K CA 0.743 57.034 56.287 0.007 0.000 0.980 359 K CB -0.932 31.567 32.500 -0.002 0.000 0.838 359 K HN 0.338 nan 8.250 nan 0.000 0.481 360 c N 0.797 119.401 118.600 0.007 0.000 2.446 360 c HA 0.097 4.495 4.570 -0.288 0.000 0.277 360 c C 2.921 177.048 174.090 0.062 0.000 1.275 360 c CA 0.838 57.188 56.329 0.035 0.000 1.727 360 c CB -1.277 41.288 42.510 0.092 0.000 2.010 360 c HN 0.788 nan 8.230 nan 0.000 0.486 361 c N 0.723 119.367 118.600 0.073 0.000 2.419 361 c HA -0.010 4.387 4.570 -0.288 0.000 0.281 361 c C 2.385 176.514 174.090 0.066 0.000 1.336 361 c CA 1.148 57.534 56.329 0.095 0.000 1.770 361 c CB -1.552 41.033 42.510 0.125 0.000 1.929 361 c HN 0.695 nan 8.230 nan 0.000 0.509 362 A N -0.305 122.544 122.820 0.048 0.000 2.579 362 A HA 0.659 4.807 4.320 -0.288 0.000 0.273 362 A C 0.664 178.259 177.584 0.019 0.000 1.363 362 A CA 0.576 52.633 52.037 0.033 0.000 0.953 362 A CB -0.419 18.599 19.000 0.031 0.000 1.034 362 A HN 0.496 nan 8.150 nan 0.000 0.536 363 A N -1.483 121.346 122.820 0.016 0.000 2.313 363 A HA 0.760 4.908 4.320 -0.288 0.000 0.323 363 A C 1.387 178.968 177.584 -0.004 0.000 1.133 363 A CA 0.063 52.100 52.037 0.000 0.000 0.847 363 A CB 0.396 19.389 19.000 -0.011 0.000 1.308 363 A HN 1.010 nan 8.150 nan 0.000 0.475 364 A N -0.499 122.313 122.820 -0.012 0.000 1.883 364 A HA 0.302 4.449 4.320 -0.288 0.000 0.217 364 A C 1.067 178.638 177.584 -0.020 0.000 1.186 364 A CA 2.385 54.413 52.037 -0.014 0.000 0.624 364 A CB -0.815 18.175 19.000 -0.017 0.000 0.822 364 A HN 1.632 nan 8.150 nan 0.000 0.444 365 D N -1.214 119.166 120.400 -0.033 0.000 2.358 365 D HA 0.502 4.969 4.640 -0.288 0.000 0.253 365 D C -2.015 174.231 176.300 -0.091 0.000 1.288 365 D CA -0.930 53.041 54.000 -0.049 0.000 0.950 365 D CB 0.914 41.685 40.800 -0.048 0.000 1.197 365 D HN 0.106 nan 8.370 nan 0.000 0.550 366 P HA -0.113 nan 4.420 nan 0.000 0.215 366 P C 1.418 178.322 177.300 -0.660 0.000 1.157 366 P CA 1.044 64.040 63.100 -0.173 0.000 0.859 366 P CB 0.067 31.798 31.700 0.052 0.000 0.786 367 H N -0.161 118.446 119.070 -0.771 0.000 2.496 367 H HA -0.175 4.208 4.556 -0.288 0.000 0.296 367 H C 1.894 176.829 175.328 -0.655 0.000 1.107 367 H CA 2.385 57.824 56.048 -1.015 0.000 1.263 367 H CB -0.235 29.291 29.762 -0.395 0.000 1.369 367 H HN 0.154 nan 8.280 nan 0.000 0.541 368 E N -0.348 119.646 120.200 -0.343 0.000 2.086 368 E HA -0.084 4.093 4.350 -0.288 0.000 0.190 368 E C 2.496 178.947 176.600 -0.248 0.000 0.975 368 E CA 0.694 56.962 56.400 -0.220 0.000 0.813 368 E CB -1.268 28.370 29.700 -0.104 0.000 0.768 368 E HN 0.626 nan 8.360 nan 0.000 0.457 369 c N 0.571 119.023 118.600 -0.247 0.000 2.453 369 c HA -0.041 4.356 4.570 -0.288 0.000 0.277 369 c C 2.560 176.579 174.090 -0.117 0.000 1.262 369 c CA 1.498 57.738 56.329 -0.149 0.000 1.718 369 c CB -1.133 41.322 42.510 -0.091 0.000 2.031 369 c HN 0.812 nan 8.230 nan 0.000 0.480 370 Y N 1.151 121.372 120.300 -0.131 0.000 2.490 370 Y HA 0.548 4.926 4.550 -0.287 0.000 0.281 370 Y C 1.825 177.603 175.900 -0.202 0.000 1.174 370 Y CA -0.021 57.984 58.100 -0.157 0.000 1.295 370 Y CB -1.491 36.872 38.460 -0.162 0.000 1.062 370 Y HN 0.221 nan 8.280 nan 0.000 0.522 371 A N 0.795 123.492 122.820 -0.206 0.000 2.121 371 A HA 0.003 4.150 4.320 -0.288 0.000 0.218 371 A C 1.717 179.208 177.584 -0.155 0.000 1.154 371 A CA 0.864 52.752 52.037 -0.249 0.000 0.679 371 A CB -0.248 18.473 19.000 -0.464 0.000 0.795 371 A HN 0.202 nan 8.150 nan 0.000 0.458 372 K N -0.368 119.969 120.400 -0.106 0.000 2.514 372 K HA 0.226 4.373 4.320 -0.288 0.000 0.207 372 K C 1.190 177.744 176.600 -0.077 0.000 1.035 372 K CA 0.039 56.276 56.287 -0.085 0.000 1.113 372 K CB 0.153 32.615 32.500 -0.062 0.000 0.846 372 K HN 0.232 nan 8.250 nan 0.000 0.491 373 V N 0.463 120.322 119.914 -0.091 0.000 2.287 373 V HA -0.244 3.703 4.120 -0.288 0.000 0.248 373 V C 1.541 177.459 176.094 -0.293 0.000 1.053 373 V CA 1.802 64.016 62.300 -0.143 0.000 1.027 373 V CB -0.383 31.405 31.823 -0.059 0.000 0.646 373 V HN 0.196 nan 8.190 nan 0.000 0.447 374 F N 0.659 120.333 119.950 -0.460 0.000 2.449 374 F HA -0.105 4.250 4.527 -0.287 0.000 0.299 374 F C 2.104 177.784 175.800 -0.200 0.000 1.092 374 F CA 1.512 59.253 58.000 -0.432 0.000 1.446 374 F CB -1.246 37.721 39.000 -0.054 0.000 1.084 374 F HN 0.347 nan 8.300 nan 0.000 0.567 375 D N -0.239 120.178 120.400 0.028 0.000 2.224 375 D HA -0.098 4.369 4.640 -0.288 0.000 0.205 375 D C 2.010 178.326 176.300 0.027 0.000 0.965 375 D CA 0.841 54.864 54.000 0.039 0.000 0.852 375 D CB -0.026 40.783 40.800 0.014 0.000 0.947 375 D HN 0.316 nan 8.370 nan 0.000 0.494 376 E N -0.776 119.405 120.200 -0.033 0.000 2.371 376 E HA -0.062 4.115 4.350 -0.288 0.000 0.194 376 E C 1.262 177.981 176.600 0.197 0.000 1.012 376 E CA 0.187 56.610 56.400 0.038 0.000 0.860 376 E CB 0.092 29.799 29.700 0.012 0.000 0.811 376 E HN 0.314 nan 8.360 nan 0.000 0.502 377 F N 1.807 121.794 119.950 0.061 0.000 2.163 377 F HA -0.034 4.322 4.527 -0.285 0.000 0.297 377 F C 2.321 178.103 175.800 -0.031 0.000 1.094 377 F CA 0.545 58.541 58.000 -0.007 0.000 1.290 377 F CB -0.808 38.175 39.000 -0.028 0.000 1.017 377 F HN -0.078 nan 8.300 nan 0.000 0.483 378 K N 0.556 121.077 120.400 0.200 0.000 2.032 378 K HA -0.238 3.909 4.320 -0.288 0.000 0.218 378 K C -0.631 175.996 176.600 0.046 0.000 1.054 378 K CA 2.482 58.830 56.287 0.101 0.000 0.941 378 K CB -1.324 31.227 32.500 0.085 0.000 0.720 378 K HN 0.099 nan 8.250 nan 0.000 0.449 379 P HA -0.157 nan 4.420 nan 0.000 0.215 379 P C 1.325 178.616 177.300 -0.015 0.000 1.153 379 P CA 1.297 64.406 63.100 0.015 0.000 0.853 379 P CB -0.021 31.692 31.700 0.023 0.000 0.788 380 L N -1.264 119.954 121.223 -0.009 0.000 2.083 380 L HA -0.141 4.026 4.340 -0.288 0.000 0.209 380 L C 2.308 179.085 176.870 -0.155 0.000 1.083 380 L CA 1.329 56.127 54.840 -0.070 0.000 0.752 380 L CB -0.882 41.139 42.059 -0.064 0.000 0.899 380 L HN -0.113 nan 8.230 nan 0.000 0.433 381 V N -0.584 119.228 119.914 -0.169 0.000 2.591 381 V HA -0.186 3.761 4.120 -0.288 0.000 0.249 381 V C 2.199 178.175 176.094 -0.198 0.000 1.053 381 V CA 1.441 63.568 62.300 -0.288 0.000 1.068 381 V CB -0.274 31.390 31.823 -0.265 0.000 0.689 381 V HN 0.432 nan 8.190 nan 0.000 0.462 382 E N -0.480 119.658 120.200 -0.103 0.000 2.170 382 E HA -0.143 4.035 4.350 -0.288 0.000 0.191 382 E C 2.230 178.793 176.600 -0.062 0.000 0.981 382 E CA 0.482 56.842 56.400 -0.067 0.000 0.830 382 E CB -0.016 29.667 29.700 -0.029 0.000 0.775 382 E HN 0.516 nan 8.360 nan 0.000 0.470 383 E N 1.009 121.171 120.200 -0.063 0.000 2.021 383 E HA -0.169 4.008 4.350 -0.288 0.000 0.200 383 E C -0.735 175.832 176.600 -0.055 0.000 1.015 383 E CA 1.612 57.983 56.400 -0.049 0.000 0.824 383 E CB -0.984 28.688 29.700 -0.047 0.000 0.762 383 E HN 0.092 nan 8.360 nan 0.000 0.454 384 P HA -0.174 nan 4.420 nan 0.000 0.216 384 P C 1.476 178.735 177.300 -0.067 0.000 1.157 384 P CA 1.857 64.908 63.100 -0.081 0.000 0.880 384 P CB -0.191 31.430 31.700 -0.132 0.000 0.791 385 Q N -1.085 118.664 119.800 -0.084 0.000 2.077 385 Q HA -0.213 3.954 4.340 -0.288 0.000 0.206 385 Q C 2.004 177.986 176.000 -0.030 0.000 0.989 385 Q CA 1.527 57.295 55.803 -0.058 0.000 0.853 385 Q CB -0.584 28.118 28.738 -0.059 0.000 0.907 385 Q HN 0.299 nan 8.270 nan 0.000 0.418 386 N N 0.483 119.168 118.700 -0.025 0.000 2.166 386 N HA -0.143 4.424 4.740 -0.288 0.000 0.186 386 N C 1.690 177.202 175.510 0.002 0.000 1.019 386 N CA 0.730 53.775 53.050 -0.008 0.000 0.856 386 N CB -0.231 38.252 38.487 -0.007 0.000 0.993 386 N HN 0.137 nan 8.380 nan 0.000 0.426 387 L N 0.928 122.151 121.223 -0.000 0.000 2.056 387 L HA -0.039 4.128 4.340 -0.288 0.000 0.207 387 L C 1.854 178.740 176.870 0.026 0.000 1.078 387 L CA 1.128 55.979 54.840 0.018 0.000 0.749 387 L CB -0.347 41.721 42.059 0.015 0.000 0.901 387 L HN 0.005 nan 8.230 nan 0.000 0.433 388 I N -0.404 120.170 120.570 0.006 0.000 2.142 388 I HA -0.289 3.708 4.170 -0.288 0.000 0.240 388 I C 2.735 178.853 176.117 0.002 0.000 1.078 388 I CA 1.475 62.775 61.300 0.000 0.000 1.343 388 I CB -1.590 36.400 38.000 -0.017 0.000 1.046 388 I HN 0.250 nan 8.210 nan 0.000 0.405 389 K N 0.968 121.369 120.400 0.002 0.000 2.063 389 K HA -0.229 3.918 4.320 -0.288 0.000 0.208 389 K C 2.301 178.912 176.600 0.018 0.000 1.048 389 K CA 1.938 58.229 56.287 0.006 0.000 0.928 389 K CB -0.935 31.568 32.500 0.005 0.000 0.713 389 K HN 0.650 nan 8.250 nan 0.000 0.442 390 Q N 0.086 119.903 119.800 0.029 0.000 2.435 390 Q HA 0.125 4.292 4.340 -0.288 0.000 0.207 390 Q C 1.803 177.849 176.000 0.077 0.000 0.956 390 Q CA 1.480 57.310 55.803 0.046 0.000 0.917 390 Q CB -0.551 28.214 28.738 0.045 0.000 0.997 390 Q HN 0.695 nan 8.270 nan 0.000 0.497 391 N N -1.467 117.282 118.700 0.081 0.000 2.322 391 N HA 0.018 4.585 4.740 -0.288 0.000 0.181 391 N C 1.353 176.868 175.510 0.008 0.000 1.088 391 N CA 0.576 53.712 53.050 0.144 0.000 0.885 391 N CB 0.400 39.009 38.487 0.204 0.000 1.013 391 N HN 0.535 nan 8.380 nan 0.000 0.472 392 c N 1.202 119.789 118.600 -0.022 0.000 2.504 392 c HA 0.059 4.456 4.570 -0.288 0.000 0.279 392 c C 2.918 177.016 174.090 0.013 0.000 1.358 392 c CA 1.227 57.523 56.329 -0.056 0.000 1.747 392 c CB -0.541 41.939 42.510 -0.050 0.000 2.037 392 c HN 0.596 nan 8.230 nan 0.000 0.503 393 E N 0.566 120.777 120.200 0.018 0.000 2.031 393 E HA -0.234 3.943 4.350 -0.288 0.000 0.193 393 E C 1.814 178.425 176.600 0.019 0.000 0.994 393 E CA 1.622 58.034 56.400 0.021 0.000 0.800 393 E CB -0.866 28.849 29.700 0.025 0.000 0.752 393 E HN 0.521 nan 8.360 nan 0.000 0.447 394 L N -0.508 120.743 121.223 0.048 0.000 2.042 394 L HA -0.032 4.135 4.340 -0.288 0.000 0.210 394 L C 2.438 179.311 176.870 0.005 0.000 1.076 394 L CA 2.522 57.414 54.840 0.086 0.000 0.749 394 L CB -0.646 41.550 42.059 0.228 0.000 0.893 394 L HN 0.471 nan 8.230 nan 0.000 0.432 395 F N 1.617 121.337 119.950 -0.383 0.000 2.095 395 F HA -0.222 4.135 4.527 -0.284 0.000 0.298 395 F C 1.779 177.415 175.800 -0.274 0.000 1.104 395 F CA 1.795 59.395 58.000 -0.667 0.000 1.232 395 F CB -0.390 38.002 39.000 -1.013 0.000 0.987 395 F HN 0.409 nan 8.300 nan 0.000 0.475 396 E N 0.056 120.125 120.200 -0.218 0.000 2.351 396 E HA 0.300 4.477 4.350 -0.288 0.000 0.236 396 E C 0.805 177.304 176.600 -0.169 0.000 1.341 396 E CA 0.508 56.755 56.400 -0.254 0.000 1.579 396 E CB -0.218 29.453 29.700 -0.049 0.000 1.393 396 E HN 0.647 nan 8.360 nan 0.000 0.438 397 Q N 0.475 120.169 119.800 -0.176 0.000 2.024 397 Q HA 0.264 4.431 4.340 -0.288 0.000 0.227 397 Q C 1.431 177.381 176.000 -0.082 0.000 0.720 397 Q CA 0.060 55.810 55.803 -0.089 0.000 0.884 397 Q CB -0.074 28.644 28.738 -0.034 0.000 1.212 397 Q HN 0.383 nan 8.270 nan 0.000 0.450 398 L N -1.034 120.119 121.223 -0.117 0.000 2.749 398 L HA 0.615 4.782 4.340 -0.288 0.000 0.242 398 L C 1.286 178.085 176.870 -0.119 0.000 1.103 398 L CA 0.046 54.852 54.840 -0.056 0.000 0.906 398 L CB 1.035 43.126 42.059 0.052 0.000 1.228 398 L HN 0.602 nan 8.230 nan 0.000 0.517 399 G N 1.358 109.949 108.800 -0.348 0.000 2.829 399 G HA2 -0.289 3.499 3.960 -0.288 0.000 0.628 399 G HA3 -0.289 3.499 3.960 -0.288 0.000 0.628 399 G C 0.335 175.038 174.900 -0.329 0.000 1.412 399 G CA 0.281 45.123 45.100 -0.429 0.000 0.864 399 G HN 0.278 nan 8.290 nan 0.000 0.544 400 E N -0.962 119.153 120.200 -0.143 0.000 2.051 400 E HA -0.184 3.993 4.350 -0.288 0.000 0.192 400 E C 2.076 178.849 176.600 0.288 0.000 0.991 400 E CA 1.853 58.403 56.400 0.249 0.000 0.799 400 E CB -0.161 29.728 29.700 0.315 0.000 0.748 400 E HN 0.634 nan 8.360 nan 0.000 0.449 401 Y N 1.012 121.371 120.300 0.100 0.000 2.145 401 Y HA -0.247 4.129 4.550 -0.290 0.000 0.286 401 Y C 2.435 178.392 175.900 0.095 0.000 1.145 401 Y CA 3.029 61.184 58.100 0.092 0.000 1.148 401 Y CB -0.703 37.793 38.460 0.059 0.000 0.981 401 Y HN 0.043 nan 8.280 nan 0.000 0.507 402 K N -0.040 120.386 120.400 0.042 0.000 2.057 402 K HA -0.193 3.954 4.320 -0.288 0.000 0.207 402 K C 2.058 178.657 176.600 -0.001 0.000 1.049 402 K CA 1.587 57.843 56.287 -0.052 0.000 0.931 402 K CB -1.831 30.696 32.500 0.045 0.000 0.714 402 K HN 0.505 nan 8.250 nan 0.000 0.440 403 F N 1.966 121.889 119.950 -0.044 0.000 2.095 403 F HA -0.187 4.165 4.527 -0.292 0.000 0.298 403 F C 2.598 178.400 175.800 0.003 0.000 1.104 403 F CA 2.086 60.103 58.000 0.029 0.000 1.232 403 F CB -0.323 38.784 39.000 0.178 0.000 0.987 403 F HN 0.384 nan 8.300 nan 0.000 0.475 404 Q N -0.170 119.627 119.800 -0.005 0.000 2.096 404 Q HA -0.247 3.920 4.340 -0.288 0.000 0.204 404 Q C 1.919 177.787 176.000 -0.219 0.000 0.982 404 Q CA 1.700 57.427 55.803 -0.126 0.000 0.850 404 Q CB -0.377 28.346 28.738 -0.026 0.000 0.901 404 Q HN 0.403 nan 8.270 nan 0.000 0.422 405 N N 0.247 118.783 118.700 -0.275 0.000 2.223 405 N HA -0.124 4.443 4.740 -0.288 0.000 0.185 405 N C 1.475 176.875 175.510 -0.184 0.000 1.016 405 N CA 1.223 54.118 53.050 -0.257 0.000 0.863 405 N CB -0.292 37.996 38.487 -0.332 0.000 0.983 405 N HN 0.261 nan 8.380 nan 0.000 0.429 406 A N 1.323 124.022 122.820 -0.203 0.000 1.841 406 A HA -0.036 4.111 4.320 -0.288 0.000 0.214 406 A C 2.293 179.759 177.584 -0.196 0.000 1.195 406 A CA 0.912 52.840 52.037 -0.183 0.000 0.611 406 A CB -0.857 18.021 19.000 -0.204 0.000 0.835 406 A HN 0.213 nan 8.150 nan 0.000 0.443 407 L N -0.913 120.123 121.223 -0.312 0.000 2.127 407 L HA -0.185 3.982 4.340 -0.288 0.000 0.211 407 L C 2.542 179.375 176.870 -0.062 0.000 1.089 407 L CA 0.973 55.697 54.840 -0.193 0.000 0.757 407 L CB -0.655 41.215 42.059 -0.315 0.000 0.899 407 L HN 0.414 nan 8.230 nan 0.000 0.434 408 L N -0.535 120.622 121.223 -0.110 0.000 2.017 408 L HA -0.152 4.015 4.340 -0.288 0.000 0.208 408 L C 2.405 179.256 176.870 -0.031 0.000 1.073 408 L CA 1.470 56.270 54.840 -0.066 0.000 0.745 408 L CB -0.356 41.650 42.059 -0.089 0.000 0.894 408 L HN 0.014 nan 8.230 nan 0.000 0.432 409 V N -0.609 119.275 119.914 -0.050 0.000 2.323 409 V HA -0.269 3.678 4.120 -0.288 0.000 0.244 409 V C 2.823 178.899 176.094 -0.031 0.000 1.041 409 V CA 1.987 64.262 62.300 -0.041 0.000 1.025 409 V CB -0.268 31.526 31.823 -0.048 0.000 0.656 409 V HN 0.599 nan 8.190 nan 0.000 0.451 410 R N -1.371 119.114 120.500 -0.025 0.000 2.094 410 R HA -0.231 3.937 4.340 -0.288 0.000 0.239 410 R C 2.222 178.487 176.300 -0.059 0.000 1.137 410 R CA 2.773 58.852 56.100 -0.035 0.000 0.943 410 R CB -0.639 29.654 30.300 -0.011 0.000 0.850 410 R HN 0.636 nan 8.270 nan 0.000 0.433 411 Y N -0.227 120.013 120.300 -0.098 0.000 2.314 411 Y HA -0.088 4.293 4.550 -0.282 0.000 0.293 411 Y C 2.396 178.238 175.900 -0.096 0.000 1.129 411 Y CA 1.720 59.763 58.100 -0.094 0.000 1.201 411 Y CB 0.012 38.400 38.460 -0.119 0.000 0.999 411 Y HN 0.147 nan 8.280 nan 0.000 0.541 412 T N -0.599 113.972 114.554 0.029 0.000 2.915 412 T HA -0.136 4.041 4.350 -0.288 0.000 0.269 412 T C 1.784 176.416 174.700 -0.113 0.000 1.071 412 T CA 1.202 63.274 62.100 -0.046 0.000 1.132 412 T CB -0.068 68.767 68.868 -0.054 0.000 0.878 412 T HN 0.248 nan 8.240 nan 0.000 0.479 413 K N 0.756 121.098 120.400 -0.097 0.000 2.116 413 K HA 0.046 4.193 4.320 -0.288 0.000 0.203 413 K C 2.379 178.905 176.600 -0.123 0.000 1.052 413 K CA 0.857 57.080 56.287 -0.108 0.000 0.952 413 K CB 0.030 32.483 32.500 -0.077 0.000 0.729 413 K HN 0.150 nan 8.250 nan 0.000 0.446 414 K N 0.274 120.586 120.400 -0.147 0.000 1.991 414 K HA -0.103 4.044 4.320 -0.288 0.000 0.212 414 K C 0.753 177.289 176.600 -0.106 0.000 1.049 414 K CA 1.464 57.656 56.287 -0.158 0.000 0.932 414 K CB 0.241 32.566 32.500 -0.293 0.000 0.717 414 K HN 0.050 nan 8.250 nan 0.000 0.441 415 V N -2.166 117.695 119.914 -0.088 0.000 2.361 415 V HA 0.277 4.224 4.120 -0.288 0.000 0.252 415 V C -2.539 173.484 176.094 -0.118 0.000 0.986 415 V CA -1.550 60.710 62.300 -0.066 0.000 1.033 415 V CB 0.925 32.750 31.823 0.003 0.000 1.282 415 V HN -0.012 nan 8.190 nan 0.000 0.514 416 P HA -0.187 nan 4.420 nan 0.000 0.217 416 P C 1.534 178.666 177.300 -0.281 0.000 1.151 416 P CA 1.653 64.472 63.100 -0.468 0.000 0.849 416 P CB 0.238 31.202 31.700 -1.226 0.000 0.787 417 Q N -0.735 118.993 119.800 -0.120 0.000 2.135 417 Q HA -0.074 4.094 4.340 -0.288 0.000 0.204 417 Q C 0.676 176.704 176.000 0.047 0.000 0.981 417 Q CA 0.623 56.446 55.803 0.032 0.000 0.856 417 Q CB -1.452 27.340 28.738 0.090 0.000 0.902 417 Q HN 0.107 nan 8.270 nan 0.000 0.425 418 V N 2.338 122.273 119.914 0.036 0.000 2.720 418 V HA -0.085 3.862 4.120 -0.288 0.000 0.307 418 V C 0.583 176.702 176.094 0.041 0.000 1.071 418 V CA 0.217 62.557 62.300 0.067 0.000 1.199 418 V CB 0.368 32.217 31.823 0.043 0.000 0.900 418 V HN 0.433 nan 8.190 nan 0.000 0.494 419 S N 3.366 119.098 115.700 0.054 0.000 2.549 419 S HA 0.004 4.301 4.470 -0.288 0.000 0.286 419 S C 1.297 175.911 174.600 0.022 0.000 1.314 419 S CA 0.134 58.356 58.200 0.037 0.000 1.062 419 S CB 0.885 64.106 63.200 0.035 0.000 0.865 419 S HN 0.818 nan 8.310 nan 0.000 0.498 420 T N 4.862 119.429 114.554 0.021 0.000 2.620 420 T HA -0.101 4.077 4.350 -0.288 0.000 0.267 420 T C -0.840 173.866 174.700 0.009 0.000 1.044 420 T CA 2.062 64.171 62.100 0.013 0.000 1.161 420 T CB -1.850 67.032 68.868 0.022 0.000 0.862 420 T HN 0.604 nan 8.240 nan 0.000 0.438 421 P HA -0.114 nan 4.420 nan 0.000 0.216 421 P C 1.671 178.971 177.300 0.000 0.000 1.157 421 P CA 1.480 64.587 63.100 0.012 0.000 0.880 421 P CB -0.377 31.332 31.700 0.015 0.000 0.791 422 T N -0.524 114.029 114.554 -0.002 0.000 2.777 422 T HA -0.091 4.086 4.350 -0.288 0.000 0.266 422 T C 1.827 176.502 174.700 -0.043 0.000 1.040 422 T CA 1.042 63.131 62.100 -0.017 0.000 1.141 422 T CB -0.973 67.895 68.868 0.000 0.000 0.868 422 T HN 0.050 nan 8.240 nan 0.000 0.444 423 L N 0.730 121.933 121.223 -0.034 0.000 2.017 423 L HA -0.110 4.057 4.340 -0.288 0.000 0.208 423 L C 2.744 179.574 176.870 -0.065 0.000 1.073 423 L CA 1.023 55.831 54.840 -0.054 0.000 0.745 423 L CB -0.785 41.258 42.059 -0.027 0.000 0.894 423 L HN 0.135 nan 8.230 nan 0.000 0.432 424 V N -0.312 119.581 119.914 -0.034 0.000 2.287 424 V HA -0.300 3.647 4.120 -0.288 0.000 0.248 424 V C 2.546 178.622 176.094 -0.029 0.000 1.053 424 V CA 2.037 64.324 62.300 -0.022 0.000 1.027 424 V CB -0.493 31.334 31.823 0.007 0.000 0.646 424 V HN 0.431 nan 8.190 nan 0.000 0.447 425 E N 0.413 120.596 120.200 -0.029 0.000 2.023 425 E HA -0.173 4.004 4.350 -0.288 0.000 0.196 425 E C 2.101 178.660 176.600 -0.068 0.000 1.003 425 E CA 1.854 58.235 56.400 -0.031 0.000 0.809 425 E CB -0.657 29.027 29.700 -0.027 0.000 0.755 425 E HN 0.331 nan 8.360 nan 0.000 0.449 426 V N 0.489 120.335 119.914 -0.113 0.000 2.255 426 V HA -0.306 3.641 4.120 -0.288 0.000 0.247 426 V C 2.407 178.369 176.094 -0.219 0.000 1.051 426 V CA 2.146 64.335 62.300 -0.186 0.000 1.018 426 V CB -0.901 30.768 31.823 -0.256 0.000 0.641 426 V HN 0.237 nan 8.190 nan 0.000 0.445 427 S N -0.313 115.252 115.700 -0.224 0.000 2.365 427 S HA -0.254 4.043 4.470 -0.288 0.000 0.225 427 S C 2.035 176.560 174.600 -0.125 0.000 1.039 427 S CA 1.726 59.790 58.200 -0.227 0.000 1.033 427 S CB -0.419 62.678 63.200 -0.172 0.000 0.887 427 S HN 0.533 nan 8.310 nan 0.000 0.447 428 R N 1.425 121.888 120.500 -0.060 0.000 2.083 428 R HA -0.058 4.109 4.340 -0.288 0.000 0.237 428 R C 1.985 178.305 176.300 0.033 0.000 1.137 428 R CA 1.559 57.665 56.100 0.009 0.000 0.951 428 R CB -0.592 29.728 30.300 0.033 0.000 0.851 428 R HN 0.401 nan 8.270 nan 0.000 0.434 429 N N 0.903 119.610 118.700 0.012 0.000 2.166 429 N HA -0.115 4.452 4.740 -0.288 0.000 0.186 429 N C 1.952 177.521 175.510 0.100 0.000 1.019 429 N CA 0.961 54.051 53.050 0.067 0.000 0.856 429 N CB -0.272 38.230 38.487 0.025 0.000 0.993 429 N HN 0.201 nan 8.380 nan 0.000 0.426 430 L N 0.392 121.612 121.223 -0.004 0.000 2.017 430 L HA -0.086 4.081 4.340 -0.288 0.000 0.208 430 L C 2.438 179.360 176.870 0.087 0.000 1.073 430 L CA 1.469 56.306 54.840 -0.005 0.000 0.745 430 L CB -0.907 41.047 42.059 -0.173 0.000 0.894 430 L HN 0.220 nan 8.230 nan 0.000 0.432 431 G N -0.528 108.329 108.800 0.095 0.000 2.432 431 G HA2 -0.242 3.545 3.960 -0.288 0.000 0.219 431 G HA3 -0.242 3.545 3.960 -0.288 0.000 0.219 431 G C 1.736 176.767 174.900 0.218 0.000 1.135 431 G CA 0.628 45.903 45.100 0.290 0.000 0.767 431 G HN 0.206 nan 8.290 nan 0.000 0.550 432 K N -0.021 120.445 120.400 0.110 0.000 2.442 432 K HA 0.070 4.217 4.320 -0.288 0.000 0.198 432 K C 2.570 179.070 176.600 -0.166 0.000 1.044 432 K CA 0.722 57.020 56.287 0.019 0.000 0.948 432 K CB -0.282 32.240 32.500 0.035 0.000 0.762 432 K HN 0.339 nan 8.250 nan 0.000 0.472 433 V N 0.564 120.377 119.914 -0.168 0.000 2.427 433 V HA -0.115 3.832 4.120 -0.288 0.000 0.248 433 V C 2.638 178.467 176.094 -0.442 0.000 1.051 433 V CA 2.007 64.123 62.300 -0.307 0.000 1.048 433 V CB -1.170 30.586 31.823 -0.113 0.000 0.666 433 V HN 0.563 nan 8.190 nan 0.000 0.456 434 G N 0.738 109.135 108.800 -0.672 0.000 2.514 434 G HA2 -0.300 3.488 3.960 -0.288 0.000 0.217 434 G HA3 -0.300 3.488 3.960 -0.288 0.000 0.217 434 G C 1.809 175.918 174.900 -1.318 0.000 1.198 434 G CA 1.482 45.625 45.100 -1.594 0.000 0.780 434 G HN 0.591 nan 8.290 nan 0.000 0.565 435 S N 0.320 115.550 115.700 -0.784 0.000 2.370 435 S HA -0.144 4.153 4.470 -0.288 0.000 0.226 435 S C 2.136 176.612 174.600 -0.207 0.000 1.033 435 S CA 1.712 59.813 58.200 -0.165 0.000 1.011 435 S CB -0.353 62.887 63.200 0.067 0.000 0.852 435 S HN 0.381 nan 8.310 nan 0.000 0.457 436 K N 0.414 120.654 120.400 -0.267 0.000 2.057 436 K HA 0.007 4.155 4.320 -0.288 0.000 0.206 436 K C 2.075 178.574 176.600 -0.169 0.000 1.050 436 K CA 1.423 57.571 56.287 -0.232 0.000 0.935 436 K CB -0.947 31.334 32.500 -0.364 0.000 0.715 436 K HN 0.719 nan 8.250 nan 0.000 0.439 437 c N -1.766 116.714 118.600 -0.200 0.000 2.378 437 c HA 0.284 4.681 4.570 -0.288 0.000 0.389 437 c C 2.678 176.721 174.090 -0.078 0.000 1.394 437 c CA -0.072 56.230 56.329 -0.045 0.000 2.275 437 c CB -0.750 41.717 42.510 -0.071 0.000 2.567 437 c HN 0.712 nan 8.230 nan 0.000 0.556 438 c N 1.976 120.448 118.600 -0.212 0.000 2.397 438 c HA -0.161 4.236 4.570 -0.288 0.000 0.282 438 c C 2.772 176.809 174.090 -0.088 0.000 1.252 438 c CA 2.154 58.387 56.329 -0.160 0.000 1.811 438 c CB -1.569 40.789 42.510 -0.253 0.000 2.027 438 c HN 0.747 nan 8.230 nan 0.000 0.503 439 K N -0.354 119.959 120.400 -0.144 0.000 2.546 439 K HA 0.062 4.209 4.320 -0.288 0.000 0.198 439 K C 0.333 176.800 176.600 -0.222 0.000 1.028 439 K CA 0.578 56.769 56.287 -0.160 0.000 1.150 439 K CB -0.615 31.770 32.500 -0.191 0.000 0.876 439 K HN 0.715 nan 8.250 nan 0.000 0.508 440 H N 0.129 119.172 119.070 -0.045 0.000 2.499 440 H HA 0.388 4.770 4.556 -0.290 0.000 0.340 440 H C -2.576 172.734 175.328 -0.029 0.000 1.148 440 H CA -2.529 53.496 56.048 -0.037 0.000 1.215 440 H CB 1.872 31.606 29.762 -0.047 0.000 1.529 440 H HN 0.030 nan 8.280 nan 0.000 0.510 441 P HA 0.016 nan 4.420 nan 0.000 0.270 441 P C 0.747 178.074 177.300 0.045 0.000 1.223 441 P CA -0.030 63.109 63.100 0.065 0.000 0.785 441 P CB 1.181 32.911 31.700 0.050 0.000 0.923 442 E N 1.804 122.020 120.200 0.026 0.000 2.086 442 E HA -0.293 3.884 4.350 -0.288 0.000 0.200 442 E C 2.071 178.677 176.600 0.010 0.000 1.012 442 E CA 2.421 58.831 56.400 0.016 0.000 0.812 442 E CB -0.722 28.988 29.700 0.016 0.000 0.743 442 E HN 0.523 nan 8.360 nan 0.000 0.453 443 A N 0.786 123.610 122.820 0.007 0.000 2.009 443 A HA -0.296 3.852 4.320 -0.288 0.000 0.222 443 A C 1.633 179.198 177.584 -0.031 0.000 1.175 443 A CA 2.182 54.216 52.037 -0.005 0.000 0.651 443 A CB -0.349 18.642 19.000 -0.015 0.000 0.815 443 A HN 0.192 nan 8.150 nan 0.000 0.459 444 K N -1.860 118.504 120.400 -0.059 0.000 2.374 444 K HA 0.218 4.365 4.320 -0.288 0.000 0.202 444 K C 1.736 178.256 176.600 -0.133 0.000 1.040 444 K CA -0.030 56.171 56.287 -0.144 0.000 1.085 444 K CB 0.348 32.672 32.500 -0.293 0.000 0.873 444 K HN 0.336 nan 8.250 nan 0.000 0.539 445 R N 1.304 121.778 120.500 -0.043 0.000 2.070 445 R HA 0.059 4.226 4.340 -0.288 0.000 0.233 445 R C 2.369 178.649 176.300 -0.033 0.000 1.137 445 R CA 1.592 57.684 56.100 -0.014 0.000 0.945 445 R CB -0.105 30.198 30.300 0.006 0.000 0.845 445 R HN 0.114 nan 8.270 nan 0.000 0.430 446 M N 0.240 119.819 119.600 -0.034 0.000 2.067 446 M HA -0.097 4.211 4.480 -0.288 0.000 0.260 446 M C -0.955 175.320 176.300 -0.043 0.000 1.069 446 M CA 1.829 57.103 55.300 -0.043 0.000 1.117 446 M CB -0.846 31.718 32.600 -0.061 0.000 1.334 446 M HN -0.021 nan 8.290 nan 0.000 0.407 447 P HA -0.159 nan 4.420 nan 0.000 0.215 447 P C 1.750 179.029 177.300 -0.035 0.000 1.157 447 P CA 1.299 64.370 63.100 -0.047 0.000 0.874 447 P CB -0.394 31.267 31.700 -0.065 0.000 0.790 448 c N -0.295 118.273 118.600 -0.054 0.000 2.440 448 c HA -0.112 4.285 4.570 -0.288 0.000 0.282 448 c C 2.857 176.955 174.090 0.014 0.000 1.223 448 c CA 2.000 58.309 56.329 -0.034 0.000 1.744 448 c CB -1.600 40.874 42.510 -0.060 0.000 2.061 448 c HN 0.234 nan 8.230 nan 0.000 0.456 449 A N -0.248 122.570 122.820 -0.005 0.000 1.851 449 A HA -0.239 3.908 4.320 -0.288 0.000 0.216 449 A C 2.088 179.700 177.584 0.046 0.000 1.195 449 A CA 2.232 54.275 52.037 0.011 0.000 0.622 449 A CB -1.171 17.817 19.000 -0.019 0.000 0.831 449 A HN 0.815 nan 8.150 nan 0.000 0.444 450 E N -0.368 119.840 120.200 0.013 0.000 2.051 450 E HA -0.225 3.952 4.350 -0.288 0.000 0.192 450 E C 1.472 178.084 176.600 0.020 0.000 0.991 450 E CA 1.534 57.938 56.400 0.007 0.000 0.799 450 E CB -0.127 29.555 29.700 -0.032 0.000 0.748 450 E HN 0.543 nan 8.360 nan 0.000 0.449 451 D N -0.610 119.808 120.400 0.030 0.000 2.144 451 D HA -0.173 4.294 4.640 -0.288 0.000 0.199 451 D C 1.633 177.958 176.300 0.041 0.000 0.984 451 D CA 0.850 54.873 54.000 0.039 0.000 0.834 451 D CB -0.294 40.539 40.800 0.056 0.000 0.955 451 D HN 0.304 nan 8.370 nan 0.000 0.465 452 Y N 1.347 121.627 120.300 -0.034 0.000 2.274 452 Y HA -0.109 4.306 4.550 -0.226 0.000 0.290 452 Y C 2.222 178.087 175.900 -0.058 0.000 1.145 452 Y CA 0.992 59.066 58.100 -0.044 0.000 1.203 452 Y CB -0.201 38.235 38.460 -0.040 0.000 0.984 452 Y HN -0.093 nan 8.280 nan 0.000 0.533 453 L N -1.283 119.975 121.223 0.058 0.000 2.131 453 L HA -0.235 3.932 4.340 -0.288 0.000 0.210 453 L C 2.520 179.329 176.870 -0.100 0.000 1.092 453 L CA 1.274 56.105 54.840 -0.015 0.000 0.759 453 L CB -0.631 41.442 42.059 0.023 0.000 0.903 453 L HN 0.112 nan 8.230 nan 0.000 0.435 454 S N -0.421 115.224 115.700 -0.091 0.000 2.348 454 S HA -0.164 4.133 4.470 -0.288 0.000 0.221 454 S C 2.045 176.538 174.600 -0.179 0.000 1.033 454 S CA 1.392 59.528 58.200 -0.107 0.000 1.010 454 S CB -0.221 62.927 63.200 -0.087 0.000 0.891 454 S HN 0.167 nan 8.310 nan 0.000 0.442 455 V N 1.717 121.476 119.914 -0.258 0.000 2.255 455 V HA -0.178 3.769 4.120 -0.288 0.000 0.247 455 V C 2.345 178.240 176.094 -0.332 0.000 1.051 455 V CA 1.771 63.872 62.300 -0.332 0.000 1.018 455 V CB -0.971 30.572 31.823 -0.467 0.000 0.641 455 V HN 0.358 nan 8.190 nan 0.000 0.445 456 V N -0.289 119.392 119.914 -0.388 0.000 2.332 456 V HA -0.271 3.676 4.120 -0.288 0.000 0.248 456 V C 2.307 178.251 176.094 -0.249 0.000 1.055 456 V CA 1.980 64.095 62.300 -0.308 0.000 1.038 456 V CB -0.681 30.987 31.823 -0.258 0.000 0.651 456 V HN 0.443 nan 8.190 nan 0.000 0.450 457 L N 0.299 121.388 121.223 -0.223 0.000 2.141 457 L HA -0.142 4.025 4.340 -0.288 0.000 0.209 457 L C 2.496 179.278 176.870 -0.146 0.000 1.094 457 L CA 1.596 56.303 54.840 -0.223 0.000 0.763 457 L CB -0.680 41.289 42.059 -0.150 0.000 0.908 457 L HN 0.421 nan 8.230 nan 0.000 0.437 458 N N 0.155 118.777 118.700 -0.131 0.000 2.104 458 N HA -0.229 4.339 4.740 -0.288 0.000 0.190 458 N C 1.837 177.278 175.510 -0.114 0.000 1.024 458 N CA 1.482 54.471 53.050 -0.102 0.000 0.853 458 N CB 0.016 38.417 38.487 -0.143 0.000 1.008 458 N HN 0.301 nan 8.380 nan 0.000 0.424 459 Q N -0.441 119.266 119.800 -0.155 0.000 1.985 459 Q HA -0.194 3.973 4.340 -0.288 0.000 0.207 459 Q C 2.007 177.948 176.000 -0.098 0.000 0.996 459 Q CA 1.784 57.502 55.803 -0.142 0.000 0.851 459 Q CB -0.454 28.189 28.738 -0.159 0.000 0.921 459 Q HN 0.402 nan 8.270 nan 0.000 0.418 460 L N 0.570 121.723 121.223 -0.116 0.000 2.021 460 L HA -0.254 3.914 4.340 -0.288 0.000 0.215 460 L C 2.234 179.110 176.870 0.010 0.000 1.074 460 L CA 1.912 56.702 54.840 -0.085 0.000 0.760 460 L CB -0.931 41.012 42.059 -0.193 0.000 0.889 460 L HN 0.335 nan 8.230 nan 0.000 0.433 461 c N -1.269 117.339 118.600 0.012 0.000 2.436 461 c HA -0.148 4.249 4.570 -0.288 0.000 0.277 461 c C 2.894 177.025 174.090 0.068 0.000 1.241 461 c CA 1.233 57.616 56.329 0.089 0.000 1.721 461 c CB -1.081 41.486 42.510 0.096 0.000 2.043 461 c HN 0.668 nan 8.230 nan 0.000 0.472 462 V N -0.194 119.716 119.914 -0.008 0.000 2.358 462 V HA -0.140 3.807 4.120 -0.288 0.000 0.246 462 V C 2.077 178.159 176.094 -0.021 0.000 1.047 462 V CA 1.953 64.227 62.300 -0.043 0.000 1.035 462 V CB -1.035 30.718 31.823 -0.116 0.000 0.658 462 V HN 0.595 nan 8.190 nan 0.000 0.452 463 L N -0.166 121.052 121.223 -0.008 0.000 2.141 463 L HA -0.118 4.049 4.340 -0.288 0.000 0.209 463 L C 2.898 179.787 176.870 0.032 0.000 1.094 463 L CA 2.029 56.871 54.840 0.003 0.000 0.763 463 L CB -0.896 41.161 42.059 -0.003 0.000 0.908 463 L HN 0.544 nan 8.230 nan 0.000 0.437 464 H N 0.240 119.300 119.070 -0.016 0.000 2.403 464 H HA -0.148 4.232 4.556 -0.292 0.000 0.298 464 H C 1.990 177.317 175.328 -0.001 0.000 1.059 464 H CA 1.218 57.267 56.048 0.001 0.000 1.363 464 H CB 0.437 30.213 29.762 0.025 0.000 1.410 464 H HN 0.384 nan 8.280 nan 0.000 0.528 465 E N 0.778 120.959 120.200 -0.031 0.000 2.219 465 E HA -0.205 3.972 4.350 -0.288 0.000 0.198 465 E C 2.406 178.932 176.600 -0.124 0.000 0.998 465 E CA 1.579 57.933 56.400 -0.076 0.000 0.818 465 E CB 0.101 29.781 29.700 -0.034 0.000 0.741 465 E HN 0.531 nan 8.360 nan 0.000 0.477 466 K N 0.178 120.512 120.400 -0.110 0.000 1.973 466 K HA -0.078 4.069 4.320 -0.288 0.000 0.212 466 K C 1.450 177.979 176.600 -0.118 0.000 1.047 466 K CA 1.770 58.004 56.287 -0.088 0.000 0.937 466 K CB -1.130 31.338 32.500 -0.053 0.000 0.721 466 K HN 0.291 nan 8.250 nan 0.000 0.440 467 T N 0.512 114.967 114.554 -0.165 0.000 3.064 467 T HA 0.484 4.662 4.350 -0.288 0.000 0.367 467 T C -3.062 171.462 174.700 -0.294 0.000 1.202 467 T CA -1.962 60.042 62.100 -0.160 0.000 1.133 467 T CB 1.393 70.210 68.868 -0.084 0.000 1.074 467 T HN 0.087 nan 8.240 nan 0.000 0.519 468 P HA 0.162 nan 4.420 nan 0.000 0.262 468 P C 0.908 178.152 177.300 -0.093 0.000 1.199 468 P CA -0.272 62.603 63.100 -0.375 0.000 0.763 468 P CB 0.759 32.368 31.700 -0.151 0.000 0.790 469 V N 0.279 120.261 119.914 0.114 0.000 3.408 469 V HA 0.251 4.198 4.120 -0.288 0.000 0.263 469 V C 0.463 176.680 176.094 0.204 0.000 1.503 469 V CA 0.321 62.715 62.300 0.156 0.000 1.046 469 V CB 0.415 32.319 31.823 0.136 0.000 0.851 469 V HN 0.486 nan 8.190 nan 0.000 0.435 470 S N 1.457 117.359 115.700 0.335 0.000 2.756 470 S HA 0.382 4.679 4.470 -0.288 0.000 0.303 470 S C 0.257 174.915 174.600 0.098 0.000 1.135 470 S CA -0.242 58.041 58.200 0.138 0.000 1.066 470 S CB 1.289 64.508 63.200 0.033 0.000 1.008 470 S HN 0.379 nan 8.310 nan 0.000 0.482 471 D N 4.318 124.762 120.400 0.073 0.000 2.263 471 D HA -0.078 4.389 4.640 -0.288 0.000 0.208 471 D C 1.679 177.975 176.300 -0.008 0.000 0.971 471 D CA 0.868 54.896 54.000 0.047 0.000 0.867 471 D CB -0.038 40.779 40.800 0.030 0.000 0.929 471 D HN 0.595 nan 8.370 nan 0.000 0.492 472 R N 0.349 120.830 120.500 -0.032 0.000 2.115 472 R HA 0.005 4.173 4.340 -0.288 0.000 0.230 472 R C 2.207 178.428 176.300 -0.132 0.000 1.111 472 R CA 0.458 56.510 56.100 -0.081 0.000 0.976 472 R CB -0.163 30.097 30.300 -0.065 0.000 0.870 472 R HN 0.113 nan 8.270 nan 0.000 0.445 473 V N 0.304 120.148 119.914 -0.117 0.000 2.346 473 V HA -0.183 3.764 4.120 -0.288 0.000 0.244 473 V C 2.073 178.114 176.094 -0.089 0.000 1.037 473 V CA 2.008 64.234 62.300 -0.124 0.000 1.029 473 V CB -0.403 31.113 31.823 -0.511 0.000 0.663 473 V HN 0.348 nan 8.190 nan 0.000 0.454 474 T N 0.072 114.608 114.554 -0.030 0.000 2.652 474 T HA -0.297 3.880 4.350 -0.288 0.000 0.267 474 T C 1.929 176.632 174.700 0.006 0.000 1.039 474 T CA 2.139 64.285 62.100 0.077 0.000 1.153 474 T CB -0.271 68.669 68.868 0.119 0.000 0.863 474 T HN 0.463 nan 8.240 nan 0.000 0.428 475 K N 0.269 120.645 120.400 -0.041 0.000 2.001 475 K HA -0.167 3.980 4.320 -0.288 0.000 0.214 475 K C 2.472 179.003 176.600 -0.116 0.000 1.050 475 K CA 1.882 58.128 56.287 -0.069 0.000 0.934 475 K CB -0.583 31.864 32.500 -0.088 0.000 0.718 475 K HN 0.336 nan 8.250 nan 0.000 0.443 476 c N 0.443 118.892 118.600 -0.252 0.000 2.419 476 c HA -0.084 4.313 4.570 -0.288 0.000 0.281 476 c C 2.939 176.921 174.090 -0.180 0.000 1.336 476 c CA 0.404 56.486 56.329 -0.412 0.000 1.770 476 c CB -0.992 40.832 42.510 -1.143 0.000 1.929 476 c HN 0.672 nan 8.230 nan 0.000 0.509 477 c N 0.565 119.152 118.600 -0.022 0.000 2.518 477 c HA -0.063 4.334 4.570 -0.288 0.000 0.279 477 c C 3.031 177.228 174.090 0.178 0.000 1.279 477 c CA 1.897 58.310 56.329 0.141 0.000 1.703 477 c CB -1.437 41.172 42.510 0.166 0.000 2.072 477 c HN 0.798 nan 8.230 nan 0.000 0.487 478 T N -0.898 113.719 114.554 0.106 0.000 2.851 478 T HA -0.141 4.036 4.350 -0.288 0.000 0.262 478 T C 1.567 176.360 174.700 0.156 0.000 1.043 478 T CA 1.508 63.667 62.100 0.097 0.000 1.140 478 T CB -0.490 68.390 68.868 0.020 0.000 0.872 478 T HN 0.665 nan 8.240 nan 0.000 0.446 479 E N 1.886 122.137 120.200 0.085 0.000 2.054 479 E HA -0.187 3.990 4.350 -0.288 0.000 0.225 479 E C 0.776 177.454 176.600 0.129 0.000 1.048 479 E CA 1.728 58.170 56.400 0.069 0.000 0.899 479 E CB -0.176 29.523 29.700 -0.002 0.000 0.801 479 E HN 0.638 nan 8.360 nan 0.000 0.495 480 S N -1.438 114.310 115.700 0.079 0.000 2.541 480 S HA 0.227 4.524 4.470 -0.288 0.000 0.280 480 S C 0.297 174.805 174.600 -0.155 0.000 1.112 480 S CA -0.816 57.388 58.200 0.007 0.000 0.925 480 S CB 1.847 65.026 63.200 -0.034 0.000 1.067 480 S HN 0.298 nan 8.310 nan 0.000 0.479 481 L N 4.328 125.222 121.223 -0.549 0.000 2.072 481 L HA 0.173 4.340 4.340 -0.288 0.000 0.205 481 L C 1.988 178.656 176.870 -0.337 0.000 1.079 481 L CA 1.817 56.207 54.840 -0.750 0.000 0.752 481 L CB -0.507 40.694 42.059 -1.430 0.000 0.906 481 L HN 0.727 nan 8.230 nan 0.000 0.436 482 V N -0.545 119.217 119.914 -0.254 0.000 2.970 482 V HA -0.141 3.806 4.120 -0.288 0.000 0.260 482 V C 1.276 177.310 176.094 -0.100 0.000 1.100 482 V CA 1.676 63.887 62.300 -0.147 0.000 1.122 482 V CB -1.103 30.648 31.823 -0.120 0.000 0.721 482 V HN 0.531 nan 8.190 nan 0.000 0.483 483 N N -0.591 118.054 118.700 -0.091 0.000 2.273 483 N HA 0.190 4.757 4.740 -0.288 0.000 0.231 483 N C 1.584 177.070 175.510 -0.039 0.000 1.134 483 N CA -0.293 52.721 53.050 -0.060 0.000 0.856 483 N CB 0.243 38.694 38.487 -0.059 0.000 1.068 483 N HN 0.343 nan 8.380 nan 0.000 0.510 484 R N 0.700 121.192 120.500 -0.012 0.000 2.073 484 R HA -0.020 4.147 4.340 -0.288 0.000 0.234 484 R C 2.190 178.613 176.300 0.206 0.000 1.134 484 R CA 1.080 57.227 56.100 0.079 0.000 0.952 484 R CB -0.025 30.360 30.300 0.142 0.000 0.850 484 R HN 0.189 nan 8.270 nan 0.000 0.433 485 R N 0.608 121.197 120.500 0.149 0.000 2.075 485 R HA -0.090 4.078 4.340 -0.288 0.000 0.230 485 R C -0.787 175.590 176.300 0.128 0.000 1.140 485 R CA 1.709 57.908 56.100 0.165 0.000 0.928 485 R CB -1.414 28.929 30.300 0.070 0.000 0.834 485 R HN 0.108 nan 8.270 nan 0.000 0.429 486 P HA -0.172 nan 4.420 nan 0.000 0.216 486 P C 1.681 178.975 177.300 -0.010 0.000 1.154 486 P CA 1.193 64.298 63.100 0.009 0.000 0.865 486 P CB -0.298 31.389 31.700 -0.022 0.000 0.789 487 c N -2.066 116.503 118.600 -0.051 0.000 2.413 487 c HA -0.170 4.228 4.570 -0.288 0.000 0.276 487 c C 2.424 176.400 174.090 -0.191 0.000 1.236 487 c CA 0.835 57.067 56.329 -0.162 0.000 1.735 487 c CB -2.127 40.212 42.510 -0.284 0.000 2.031 487 c HN 0.072 nan 8.230 nan 0.000 0.474 488 F N 0.886 120.818 119.950 -0.031 0.000 2.206 488 F HA -0.030 4.326 4.527 -0.285 0.000 0.298 488 F C 2.800 178.545 175.800 -0.091 0.000 1.090 488 F CA 1.707 59.678 58.000 -0.048 0.000 1.323 488 F CB -0.782 38.244 39.000 0.043 0.000 1.028 488 F HN 0.113 nan 8.300 nan 0.000 0.492 489 S N -0.331 115.446 115.700 0.128 0.000 2.382 489 S HA -0.161 4.137 4.470 -0.288 0.000 0.228 489 S C 2.299 176.892 174.600 -0.012 0.000 1.027 489 S CA 1.034 59.263 58.200 0.048 0.000 0.991 489 S CB -0.493 62.737 63.200 0.049 0.000 0.823 489 S HN 0.350 nan 8.310 nan 0.000 0.469 490 A N 0.807 123.611 122.820 -0.027 0.000 2.014 490 A HA 0.213 4.360 4.320 -0.288 0.000 0.218 490 A C 0.912 178.458 177.584 -0.065 0.000 1.163 490 A CA 0.367 52.376 52.037 -0.047 0.000 0.652 490 A CB -0.408 18.559 19.000 -0.056 0.000 0.808 490 A HN 0.422 nan 8.150 nan 0.000 0.449 491 L N -0.047 121.128 121.223 -0.081 0.000 2.499 491 L HA 0.185 4.352 4.340 -0.288 0.000 0.281 491 L C 0.480 177.290 176.870 -0.100 0.000 1.234 491 L CA 0.208 54.991 54.840 -0.095 0.000 0.839 491 L CB 0.300 42.300 42.059 -0.098 0.000 1.104 491 L HN 0.432 nan 8.230 nan 0.000 0.500 492 E N 0.165 120.312 120.200 -0.088 0.000 2.456 492 E HA 0.317 4.494 4.350 -0.288 0.000 0.276 492 E C -1.200 175.356 176.600 -0.074 0.000 0.981 492 E CA -0.694 55.658 56.400 -0.081 0.000 0.814 492 E CB 1.819 31.486 29.700 -0.056 0.000 1.382 492 E HN 0.279 nan 8.360 nan 0.000 0.459 493 V N 1.369 121.246 119.914 -0.063 0.000 2.726 493 V HA 0.022 3.969 4.120 -0.288 0.000 0.304 493 V C -0.143 175.934 176.094 -0.028 0.000 1.115 493 V CA 0.319 62.591 62.300 -0.048 0.000 1.264 493 V CB 0.551 32.357 31.823 -0.028 0.000 0.867 493 V HN 0.664 nan 8.190 nan 0.000 0.498 494 D N 4.374 124.761 120.400 -0.021 0.000 2.338 494 D HA 0.111 4.578 4.640 -0.288 0.000 0.255 494 D C 0.968 177.299 176.300 0.053 0.000 1.237 494 D CA 0.175 54.183 54.000 0.012 0.000 0.883 494 D CB 1.095 41.907 40.800 0.020 0.000 1.087 494 D HN 0.842 nan 8.370 nan 0.000 0.485 495 E N 1.139 121.358 120.200 0.033 0.000 2.427 495 E HA -0.078 4.099 4.350 -0.288 0.000 0.196 495 E C 1.563 178.186 176.600 0.039 0.000 1.028 495 E CA 0.651 57.071 56.400 0.033 0.000 0.864 495 E CB 0.278 29.985 29.700 0.012 0.000 0.813 495 E HN 0.538 nan 8.360 nan 0.000 0.514 496 T N -2.116 112.470 114.554 0.053 0.000 3.044 496 T HA -0.040 4.137 4.350 -0.288 0.000 0.250 496 T C 0.431 175.169 174.700 0.063 0.000 1.081 496 T CA -0.423 61.703 62.100 0.042 0.000 1.040 496 T CB -0.274 68.615 68.868 0.034 0.000 0.962 496 T HN 0.106 nan 8.240 nan 0.000 0.506 497 Y N 2.539 122.829 120.300 -0.017 0.000 2.526 497 Y HA 0.430 4.809 4.550 -0.286 0.000 0.330 497 Y C -0.145 175.740 175.900 -0.024 0.000 1.156 497 Y CA -1.334 56.756 58.100 -0.016 0.000 1.419 497 Y CB 0.800 39.252 38.460 -0.015 0.000 1.250 497 Y HN 0.047 nan 8.280 nan 0.000 0.540 498 V N 9.776 129.218 119.914 -0.788 0.000 2.328 498 V HA 0.460 4.407 4.120 -0.288 0.000 0.278 498 V C -2.407 173.065 176.094 -1.037 0.000 1.021 498 V CA -2.553 59.351 62.300 -0.660 0.000 0.838 498 V CB 0.428 32.041 31.823 -0.349 0.000 0.999 498 V HN 0.801 nan 8.190 nan 0.000 0.447 499 P HA 0.007 nan 4.420 nan 0.000 0.264 499 P C -0.364 176.725 177.300 -0.352 0.000 1.173 499 P CA 0.485 63.316 63.100 -0.449 0.000 0.761 499 P CB 0.325 31.873 31.700 -0.253 0.000 0.794 500 K N 1.285 121.589 120.400 -0.160 0.000 2.180 500 K HA 0.410 4.557 4.320 -0.288 0.000 0.251 500 K C 0.735 177.226 176.600 -0.182 0.000 1.014 500 K CA -0.113 56.131 56.287 -0.071 0.000 0.913 500 K CB 0.266 32.833 32.500 0.113 0.000 1.008 500 K HN 0.514 nan 8.250 nan 0.000 0.490 501 E N 0.563 120.778 120.200 0.026 0.000 2.179 501 E HA 0.489 4.666 4.350 -0.288 0.000 0.275 501 E C -0.514 176.283 176.600 0.328 0.000 0.945 501 E CA -0.588 55.910 56.400 0.164 0.000 0.792 501 E CB 0.601 30.350 29.700 0.082 0.000 1.125 501 E HN 0.496 nan 8.360 nan 0.000 0.397 502 F N 0.054 120.245 119.950 0.403 0.000 2.412 502 F HA 0.660 5.014 4.527 -0.288 0.000 0.348 502 F C 0.695 176.557 175.800 0.103 0.000 1.102 502 F CA -0.150 57.958 58.000 0.180 0.000 1.196 502 F CB -0.102 38.871 39.000 -0.046 0.000 1.144 502 F HN 1.171 nan 8.300 nan 0.000 0.541 503 N N 0.601 119.339 118.700 0.063 0.000 2.277 503 N HA 0.708 5.275 4.740 -0.288 0.000 0.286 503 N C 0.894 176.333 175.510 -0.119 0.000 1.140 503 N CA 0.011 53.056 53.050 -0.008 0.000 0.799 503 N CB 1.456 39.945 38.487 0.002 0.000 1.596 503 N HN 1.766 nan 8.380 nan 0.000 0.473 504 A N -0.148 122.567 122.820 -0.174 0.000 1.892 504 A HA 0.030 4.177 4.320 -0.288 0.000 0.218 504 A C 2.234 179.616 177.584 -0.335 0.000 1.188 504 A CA 3.006 54.842 52.037 -0.335 0.000 0.631 504 A CB -1.259 17.616 19.000 -0.208 0.000 0.822 504 A HN 1.514 nan 8.150 nan 0.000 0.447 505 E N -0.731 119.369 120.200 -0.168 0.000 2.401 505 E HA -0.089 4.088 4.350 -0.288 0.000 0.199 505 E C 1.805 178.352 176.600 -0.088 0.000 1.023 505 E CA 1.793 58.126 56.400 -0.110 0.000 0.859 505 E CB -1.494 28.175 29.700 -0.050 0.000 0.780 505 E HN 0.735 nan 8.360 nan 0.000 0.523 506 T N 0.095 114.597 114.554 -0.086 0.000 2.614 506 T HA 0.102 4.279 4.350 -0.288 0.000 0.263 506 T C 0.751 175.492 174.700 0.067 0.000 1.055 506 T CA 1.332 63.448 62.100 0.027 0.000 1.162 506 T CB -0.358 68.587 68.868 0.128 0.000 0.863 506 T HN 0.675 nan 8.240 nan 0.000 0.414 507 F N 1.084 121.045 119.950 0.018 0.000 2.449 507 F HA 0.736 5.090 4.527 -0.289 0.000 0.342 507 F C -0.569 175.227 175.800 -0.008 0.000 1.127 507 F CA -1.147 56.859 58.000 0.010 0.000 0.975 507 F CB 1.182 40.262 39.000 0.134 0.000 1.146 507 F HN -0.285 nan 8.300 nan 0.000 0.444 508 T N 5.097 119.541 114.554 -0.184 0.000 2.794 508 T HA 0.576 4.753 4.350 -0.288 0.000 0.280 508 T C -1.379 173.024 174.700 -0.495 0.000 0.987 508 T CA -0.286 61.655 62.100 -0.265 0.000 0.993 508 T CB 0.447 69.232 68.868 -0.139 0.000 0.939 508 T HN 0.477 nan 8.240 nan 0.000 0.449 509 F N 3.075 122.965 119.950 -0.100 0.000 2.460 509 F HA 0.474 4.828 4.527 -0.288 0.000 0.341 509 F C 0.387 175.971 175.800 -0.359 0.000 1.130 509 F CA -0.686 57.300 58.000 -0.024 0.000 0.962 509 F CB 1.360 40.552 39.000 0.319 0.000 1.171 509 F HN 0.626 nan 8.300 nan 0.000 0.436 510 H N 0.402 119.352 119.070 -0.199 0.000 2.747 510 H HA 0.542 4.925 4.556 -0.289 0.000 0.371 510 H C 0.532 175.438 175.328 -0.703 0.000 1.161 510 H CA -0.471 55.405 56.048 -0.286 0.000 1.167 510 H CB 1.997 31.658 29.762 -0.167 0.000 1.732 510 H HN 0.621 nan 8.280 nan 0.000 0.544 511 A N 1.708 124.212 122.820 -0.527 0.000 2.019 511 A HA -0.179 3.968 4.320 -0.288 0.000 0.219 511 A C 2.082 179.567 177.584 -0.165 0.000 1.164 511 A CA 1.935 53.662 52.037 -0.517 0.000 0.644 511 A CB -1.559 17.490 19.000 0.083 0.000 0.805 511 A HN 0.984 nan 8.150 nan 0.000 0.449 512 D N -0.850 119.492 120.400 -0.098 0.000 2.401 512 D HA 0.003 4.470 4.640 -0.288 0.000 0.217 512 D C 1.639 177.944 176.300 0.008 0.000 0.978 512 D CA 2.214 56.198 54.000 -0.026 0.000 0.951 512 D CB -1.177 39.600 40.800 -0.038 0.000 0.879 512 D HN 0.974 nan 8.370 nan 0.000 0.497 513 I N -0.438 120.139 120.570 0.012 0.000 2.617 513 I HA 0.028 4.025 4.170 -0.288 0.000 0.256 513 I C 2.760 178.955 176.117 0.130 0.000 1.167 513 I CA 1.425 62.787 61.300 0.102 0.000 1.469 513 I CB -1.281 36.840 38.000 0.201 0.000 1.098 513 I HN 0.664 nan 8.210 nan 0.000 0.436 514 c N -0.163 118.530 118.600 0.154 0.000 2.466 514 c HA 0.028 4.425 4.570 -0.288 0.000 0.283 514 c C 2.806 176.942 174.090 0.077 0.000 1.472 514 c CA 1.401 57.806 56.329 0.127 0.000 1.765 514 c CB -2.013 40.589 42.510 0.152 0.000 1.724 514 c HN 0.756 nan 8.230 nan 0.000 0.560 515 T N 0.276 114.869 114.554 0.065 0.000 3.040 515 T HA 0.234 4.411 4.350 -0.288 0.000 0.252 515 T C 0.592 175.317 174.700 0.042 0.000 1.064 515 T CA 0.126 62.254 62.100 0.046 0.000 1.110 515 T CB -0.109 68.782 68.868 0.038 0.000 0.921 515 T HN 0.386 nan 8.240 nan 0.000 0.480 516 L N 2.884 124.136 121.223 0.048 0.000 2.473 516 L HA 0.337 4.504 4.340 -0.288 0.000 0.268 516 L C 1.282 178.177 176.870 0.042 0.000 1.215 516 L CA -0.616 54.252 54.840 0.046 0.000 0.823 516 L CB 0.201 42.293 42.059 0.055 0.000 1.099 516 L HN 0.191 nan 8.230 nan 0.000 0.483 517 S N 0.062 115.784 115.700 0.037 0.000 2.596 517 S HA 0.032 4.329 4.470 -0.288 0.000 0.262 517 S C 1.143 175.758 174.600 0.026 0.000 1.218 517 S CA 0.253 58.469 58.200 0.028 0.000 0.998 517 S CB 0.989 64.205 63.200 0.026 0.000 1.060 517 S HN 0.567 nan 8.310 nan 0.000 0.552 518 E N 0.438 120.645 120.200 0.013 0.000 2.023 518 E HA -0.119 4.058 4.350 -0.288 0.000 0.196 518 E C 2.392 178.996 176.600 0.008 0.000 1.003 518 E CA 1.803 58.201 56.400 -0.004 0.000 0.809 518 E CB -1.115 28.572 29.700 -0.021 0.000 0.755 518 E HN 0.635 nan 8.360 nan 0.000 0.449 519 K N 0.183 120.597 120.400 0.023 0.000 1.988 519 K HA -0.206 3.941 4.320 -0.288 0.000 0.221 519 K C 2.283 178.921 176.600 0.063 0.000 1.053 519 K CA 1.969 58.282 56.287 0.044 0.000 0.959 519 K CB -1.113 31.417 32.500 0.051 0.000 0.728 519 K HN 0.604 nan 8.250 nan 0.000 0.447 520 E N -0.098 120.140 120.200 0.062 0.000 2.331 520 E HA -0.206 3.972 4.350 -0.288 0.000 0.199 520 E C 2.581 179.238 176.600 0.095 0.000 1.008 520 E CA 1.279 57.724 56.400 0.074 0.000 0.843 520 E CB -0.276 29.461 29.700 0.063 0.000 0.761 520 E HN 0.499 nan 8.360 nan 0.000 0.507 521 R N 0.984 121.536 120.500 0.086 0.000 2.075 521 R HA -0.086 4.081 4.340 -0.288 0.000 0.226 521 R C 1.893 178.276 176.300 0.140 0.000 1.114 521 R CA 1.342 57.506 56.100 0.107 0.000 0.972 521 R CB -0.957 29.381 30.300 0.064 0.000 0.869 521 R HN 0.191 nan 8.270 nan 0.000 0.437 522 Q N 0.072 119.935 119.800 0.105 0.000 2.046 522 Q HA 0.032 4.199 4.340 -0.288 0.000 0.200 522 Q C 2.274 178.416 176.000 0.237 0.000 0.975 522 Q CA 1.645 57.549 55.803 0.169 0.000 0.836 522 Q CB -0.211 28.598 28.738 0.118 0.000 0.896 522 Q HN 0.604 nan 8.270 nan 0.000 0.428 523 I N 0.953 121.628 120.570 0.174 0.000 2.423 523 I HA -0.291 3.706 4.170 -0.288 0.000 0.254 523 I C 2.630 178.838 176.117 0.153 0.000 1.151 523 I CA 1.517 62.905 61.300 0.147 0.000 1.421 523 I CB -0.428 37.637 38.000 0.108 0.000 1.079 523 I HN 0.196 nan 8.210 nan 0.000 0.431 524 K N 0.964 121.477 120.400 0.190 0.000 2.243 524 K HA -0.026 4.122 4.320 -0.288 0.000 0.201 524 K C 1.971 178.766 176.600 0.324 0.000 1.051 524 K CA 0.720 57.144 56.287 0.229 0.000 0.970 524 K CB -0.314 32.342 32.500 0.259 0.000 0.755 524 K HN 0.319 nan 8.250 nan 0.000 0.465 525 K N 0.054 120.669 120.400 0.358 0.000 2.021 525 K HA -0.051 4.097 4.320 -0.288 0.000 0.205 525 K C 2.608 179.329 176.600 0.201 0.000 1.047 525 K CA 1.313 57.847 56.287 0.411 0.000 0.943 525 K CB 0.014 32.778 32.500 0.439 0.000 0.725 525 K HN 0.433 nan 8.250 nan 0.000 0.439 526 Q N 0.055 119.967 119.800 0.187 0.000 2.112 526 Q HA -0.153 4.015 4.340 -0.288 0.000 0.206 526 Q C 1.900 177.926 176.000 0.043 0.000 0.987 526 Q CA 2.031 57.888 55.803 0.090 0.000 0.858 526 Q CB -0.130 28.662 28.738 0.090 0.000 0.905 526 Q HN 0.260 nan 8.270 nan 0.000 0.420 527 T N 0.232 114.824 114.554 0.063 0.000 2.929 527 T HA -0.126 4.051 4.350 -0.288 0.000 0.271 527 T C 1.641 176.340 174.700 -0.001 0.000 1.085 527 T CA 0.998 63.119 62.100 0.036 0.000 1.125 527 T CB -0.133 68.768 68.868 0.055 0.000 0.874 527 T HN 0.400 nan 8.240 nan 0.000 0.494 528 A N 1.098 123.893 122.820 -0.043 0.000 1.878 528 A HA 0.150 4.297 4.320 -0.288 0.000 0.213 528 A C 2.133 179.620 177.584 -0.161 0.000 1.192 528 A CA 0.667 52.591 52.037 -0.187 0.000 0.619 528 A CB -0.738 17.958 19.000 -0.508 0.000 0.837 528 A HN 0.379 nan 8.150 nan 0.000 0.446 529 L N 0.310 121.470 121.223 -0.105 0.000 2.013 529 L HA -0.168 3.999 4.340 -0.288 0.000 0.212 529 L C 2.399 179.234 176.870 -0.057 0.000 1.073 529 L CA 2.054 56.847 54.840 -0.078 0.000 0.753 529 L CB -0.616 41.413 42.059 -0.049 0.000 0.890 529 L HN 0.173 nan 8.230 nan 0.000 0.432 530 V N -0.477 119.414 119.914 -0.040 0.000 2.295 530 V HA -0.233 3.714 4.120 -0.288 0.000 0.246 530 V C 2.594 178.680 176.094 -0.012 0.000 1.049 530 V CA 1.783 64.067 62.300 -0.026 0.000 1.024 530 V CB -0.667 31.146 31.823 -0.016 0.000 0.648 530 V HN 0.447 nan 8.190 nan 0.000 0.447 531 E N -0.286 119.909 120.200 -0.008 0.000 2.204 531 E HA -0.116 4.061 4.350 -0.288 0.000 0.194 531 E C 2.143 178.762 176.600 0.030 0.000 0.989 531 E CA 0.772 57.189 56.400 0.028 0.000 0.824 531 E CB -0.155 29.569 29.700 0.040 0.000 0.756 531 E HN 0.482 nan 8.360 nan 0.000 0.477 532 L N 0.180 121.386 121.223 -0.028 0.000 1.993 532 L HA -0.120 4.047 4.340 -0.288 0.000 0.206 532 L C 2.196 179.084 176.870 0.031 0.000 1.074 532 L CA 0.919 55.740 54.840 -0.030 0.000 0.746 532 L CB -0.342 41.663 42.059 -0.090 0.000 0.896 532 L HN -0.021 nan 8.230 nan 0.000 0.435 533 V N -0.073 119.845 119.914 0.005 0.000 3.140 533 V HA -0.248 3.699 4.120 -0.288 0.000 0.269 533 V C 2.153 178.267 176.094 0.033 0.000 1.149 533 V CA 1.354 63.661 62.300 0.011 0.000 1.162 533 V CB -0.820 30.990 31.823 -0.022 0.000 0.756 533 V HN 0.416 nan 8.190 nan 0.000 0.523 534 K N -1.103 119.337 120.400 0.068 0.000 2.284 534 K HA 0.021 4.168 4.320 -0.288 0.000 0.198 534 K C 1.989 178.739 176.600 0.250 0.000 1.048 534 K CA 0.308 56.665 56.287 0.117 0.000 0.987 534 K CB -0.004 32.555 32.500 0.099 0.000 0.800 534 K HN 0.460 nan 8.250 nan 0.000 0.486 535 H N 0.480 119.617 119.070 0.112 0.000 2.595 535 H HA 0.095 4.478 4.556 -0.289 0.000 0.265 535 H C 0.141 175.514 175.328 0.074 0.000 0.953 535 H CA 0.988 57.094 56.048 0.096 0.000 1.197 535 H CB 0.722 30.522 29.762 0.063 0.000 1.438 535 H HN -0.028 nan 8.280 nan 0.000 0.531 536 K N 0.839 121.363 120.400 0.206 0.000 3.350 536 K HA 0.305 4.452 4.320 -0.288 0.000 0.181 536 K C -2.457 174.198 176.600 0.092 0.000 1.064 536 K CA -0.953 55.420 56.287 0.144 0.000 0.839 536 K CB 0.414 32.999 32.500 0.142 0.000 0.819 536 K HN 0.133 nan 8.250 nan 0.000 0.523 537 P HA -0.313 nan 4.420 nan 0.000 0.212 537 P C 2.056 179.385 177.300 0.048 0.000 1.174 537 P CA 3.006 66.154 63.100 0.080 0.000 0.934 537 P CB 0.221 32.008 31.700 0.145 0.000 0.791 538 K N 0.248 120.678 120.400 0.050 0.000 1.983 538 K HA 0.087 4.234 4.320 -0.288 0.000 0.225 538 K C 1.495 178.110 176.600 0.024 0.000 1.030 538 K CA 1.392 57.697 56.287 0.030 0.000 1.027 538 K CB -1.840 30.675 32.500 0.025 0.000 0.757 538 K HN 0.355 nan 8.250 nan 0.000 0.444 539 A N 1.232 124.067 122.820 0.026 0.000 2.547 539 A HA 0.400 4.548 4.320 -0.288 0.000 0.269 539 A C -0.011 177.587 177.584 0.024 0.000 1.041 539 A CA 1.354 53.405 52.037 0.023 0.000 0.855 539 A CB -1.165 17.853 19.000 0.029 0.000 0.934 539 A HN 0.818 nan 8.150 nan 0.000 0.521 540 T N 1.533 116.095 114.554 0.014 0.000 3.880 540 T HA 0.483 4.660 4.350 -0.288 0.000 0.443 540 T C 0.470 175.173 174.700 0.004 0.000 1.266 540 T CA -0.005 62.101 62.100 0.009 0.000 1.080 540 T CB 0.427 69.300 68.868 0.008 0.000 1.355 540 T HN 1.153 nan 8.240 nan 0.000 0.440 541 K N 1.703 122.105 120.400 0.003 0.000 2.467 541 K HA 0.823 4.970 4.320 -0.288 0.000 0.231 541 K C 1.384 177.983 176.600 -0.001 0.000 1.065 541 K CA 0.930 57.218 56.287 0.001 0.000 1.004 541 K CB -0.871 31.630 32.500 0.002 0.000 1.309 541 K HN 0.891 nan 8.250 nan 0.000 0.462 542 E N -0.649 119.551 120.200 -0.000 0.000 2.801 542 E HA 0.349 4.526 4.350 -0.288 0.000 0.212 542 E C 1.743 178.342 176.600 -0.001 0.000 0.963 542 E CA 0.979 57.378 56.400 -0.001 0.000 1.247 542 E CB -0.681 29.020 29.700 0.001 0.000 1.076 542 E HN 0.648 nan 8.360 nan 0.000 0.504 543 Q N 0.254 120.053 119.800 -0.000 0.000 2.297 543 Q HA 0.085 4.252 4.340 -0.288 0.000 0.208 543 Q C 2.300 178.298 176.000 -0.004 0.000 0.981 543 Q CA 1.426 57.228 55.803 -0.001 0.000 0.876 543 Q CB -0.977 27.761 28.738 -0.000 0.000 0.921 543 Q HN 0.708 nan 8.270 nan 0.000 0.446 544 L N -0.029 121.190 121.223 -0.007 0.000 2.013 544 L HA -0.281 3.886 4.340 -0.288 0.000 0.212 544 L C 3.287 180.153 176.870 -0.007 0.000 1.073 544 L CA 2.388 57.219 54.840 -0.014 0.000 0.753 544 L CB -0.825 41.223 42.059 -0.018 0.000 0.890 544 L HN 0.609 nan 8.230 nan 0.000 0.432 545 K N 0.110 120.510 120.400 0.000 0.000 1.987 545 K HA -0.228 3.919 4.320 -0.288 0.000 0.216 545 K C 2.208 178.820 176.600 0.020 0.000 1.051 545 K CA 1.933 58.228 56.287 0.013 0.000 0.942 545 K CB -1.633 30.875 32.500 0.014 0.000 0.722 545 K HN 0.454 nan 8.250 nan 0.000 0.444 546 A N 0.387 123.214 122.820 0.012 0.000 1.954 546 A HA -0.154 3.993 4.320 -0.288 0.000 0.222 546 A C 2.629 180.221 177.584 0.013 0.000 1.199 546 A CA 2.576 54.620 52.037 0.012 0.000 0.657 546 A CB -0.878 18.125 19.000 0.005 0.000 0.823 546 A HN 0.494 nan 8.150 nan 0.000 0.463 547 V N -0.821 119.094 119.914 0.002 0.000 2.346 547 V HA -0.216 3.731 4.120 -0.288 0.000 0.244 547 V C 2.592 178.702 176.094 0.027 0.000 1.037 547 V CA 1.803 64.098 62.300 -0.009 0.000 1.029 547 V CB -0.603 31.192 31.823 -0.046 0.000 0.663 547 V HN 0.498 nan 8.190 nan 0.000 0.454 548 M N -0.195 119.427 119.600 0.036 0.000 2.202 548 M HA -0.166 4.141 4.480 -0.288 0.000 0.262 548 M C 1.898 178.286 176.300 0.147 0.000 1.063 548 M CA 1.517 56.878 55.300 0.101 0.000 1.097 548 M CB -1.361 31.286 32.600 0.078 0.000 1.382 548 M HN 0.339 nan 8.290 nan 0.000 0.413 549 D N 0.800 121.255 120.400 0.090 0.000 2.117 549 D HA -0.124 4.343 4.640 -0.288 0.000 0.197 549 D C 1.852 178.195 176.300 0.072 0.000 0.987 549 D CA 1.936 55.981 54.000 0.075 0.000 0.829 549 D CB -0.405 40.422 40.800 0.046 0.000 0.961 549 D HN 0.578 nan 8.370 nan 0.000 0.460 550 D N -0.125 120.316 120.400 0.068 0.000 2.144 550 D HA -0.170 4.297 4.640 -0.288 0.000 0.200 550 D C 1.866 178.227 176.300 0.101 0.000 0.978 550 D CA 0.644 54.679 54.000 0.060 0.000 0.833 550 D CB -0.855 39.964 40.800 0.032 0.000 0.961 550 D HN 0.141 nan 8.370 nan 0.000 0.470 551 F N 1.462 121.390 119.950 -0.036 0.000 2.134 551 F HA 0.103 4.457 4.527 -0.289 0.000 0.299 551 F C 2.750 178.596 175.800 0.077 0.000 1.097 551 F CA 1.351 59.329 58.000 -0.037 0.000 1.264 551 F CB -0.567 38.395 39.000 -0.064 0.000 1.001 551 F HN 0.248 nan 8.300 nan 0.000 0.479 552 A N 0.511 123.317 122.820 -0.024 0.000 1.865 552 A HA -0.098 4.049 4.320 -0.288 0.000 0.217 552 A C 2.511 180.026 177.584 -0.115 0.000 1.191 552 A CA 2.209 54.187 52.037 -0.099 0.000 0.623 552 A CB -1.668 17.339 19.000 0.011 0.000 0.826 552 A HN 0.508 nan 8.150 nan 0.000 0.444 553 A N -0.913 121.878 122.820 -0.048 0.000 1.903 553 A HA -0.204 3.943 4.320 -0.288 0.000 0.219 553 A C 2.074 179.602 177.584 -0.093 0.000 1.191 553 A CA 2.031 54.036 52.037 -0.053 0.000 0.638 553 A CB -0.941 18.052 19.000 -0.012 0.000 0.823 553 A HN 0.843 nan 8.150 nan 0.000 0.451 554 F N 1.052 120.859 119.950 -0.238 0.000 2.043 554 F HA -0.239 4.114 4.527 -0.289 0.000 0.297 554 F C 2.264 177.838 175.800 -0.377 0.000 1.121 554 F CA 2.436 60.260 58.000 -0.295 0.000 1.199 554 F CB -0.568 38.245 39.000 -0.312 0.000 0.968 554 F HN 0.055 nan 8.300 nan 0.000 0.478 555 V N 0.503 120.187 119.914 -0.383 0.000 2.295 555 V HA -0.266 3.681 4.120 -0.288 0.000 0.246 555 V C 2.741 178.620 176.094 -0.359 0.000 1.049 555 V CA 2.458 64.537 62.300 -0.369 0.000 1.024 555 V CB -2.079 29.654 31.823 -0.150 0.000 0.648 555 V HN 0.554 nan 8.190 nan 0.000 0.447 556 E N 1.029 121.077 120.200 -0.252 0.000 2.021 556 E HA -0.341 3.836 4.350 -0.288 0.000 0.200 556 E C 2.392 178.842 176.600 -0.249 0.000 1.015 556 E CA 3.025 59.310 56.400 -0.192 0.000 0.824 556 E CB -1.186 28.434 29.700 -0.133 0.000 0.762 556 E HN 0.705 nan 8.360 nan 0.000 0.454 557 K N -0.203 120.025 120.400 -0.287 0.000 1.987 557 K HA -0.063 4.084 4.320 -0.288 0.000 0.216 557 K C 2.759 179.120 176.600 -0.399 0.000 1.051 557 K CA 2.635 58.748 56.287 -0.291 0.000 0.942 557 K CB -2.027 30.313 32.500 -0.267 0.000 0.722 557 K HN 1.251 nan 8.250 nan 0.000 0.444 558 C N 0.382 119.264 119.300 -0.697 0.000 2.410 558 C HA 0.046 4.333 4.460 -0.288 0.000 0.281 558 C C 2.998 177.600 174.990 -0.647 0.000 1.318 558 C CA 1.470 59.937 59.018 -0.917 0.000 1.776 558 C CB -1.470 25.080 27.740 -1.983 0.000 1.942 558 C HN 0.732 nan 8.230 nan 0.000 0.508 559 c N -0.333 117.991 118.600 -0.460 0.000 2.485 559 c HA 0.204 4.601 4.570 -0.288 0.000 0.278 559 c C 3.185 177.218 174.090 -0.095 0.000 1.356 559 c CA 1.857 58.100 56.329 -0.142 0.000 1.747 559 c CB -0.652 41.824 42.510 -0.058 0.000 2.001 559 c HN 0.734 nan 8.230 nan 0.000 0.501 560 K N -0.111 120.209 120.400 -0.134 0.000 2.367 560 K HA 0.636 4.783 4.320 -0.288 0.000 0.194 560 K C 0.733 177.279 176.600 -0.091 0.000 1.027 560 K CA 0.800 57.033 56.287 -0.090 0.000 1.075 560 K CB -0.352 32.098 32.500 -0.084 0.000 0.845 560 K HN 0.506 nan 8.250 nan 0.000 0.529 561 A N 1.562 124.305 122.820 -0.129 0.000 2.450 561 A HA 0.334 4.481 4.320 -0.288 0.000 0.255 561 A C 0.470 178.014 177.584 -0.067 0.000 1.096 561 A CA 0.003 51.976 52.037 -0.107 0.000 0.778 561 A CB 0.262 19.174 19.000 -0.147 0.000 1.031 561 A HN 0.317 nan 8.150 nan 0.000 0.494 562 D N 1.962 122.336 120.400 -0.043 0.000 2.336 562 D HA 0.137 4.604 4.640 -0.288 0.000 0.229 562 D C 0.871 177.165 176.300 -0.010 0.000 1.061 562 D CA 1.000 54.988 54.000 -0.021 0.000 0.875 562 D CB -0.385 40.406 40.800 -0.016 0.000 0.904 562 D HN 0.801 nan 8.370 nan 0.000 0.525 563 D N -0.260 120.131 120.400 -0.015 0.000 2.384 563 D HA 0.433 4.900 4.640 -0.288 0.000 0.244 563 D C 0.687 176.999 176.300 0.019 0.000 1.251 563 D CA 0.269 54.270 54.000 0.001 0.000 0.961 563 D CB 0.005 40.802 40.800 -0.004 0.000 1.116 563 D HN 0.334 nan 8.370 nan 0.000 0.484 564 K N 0.449 120.869 120.400 0.034 0.000 2.455 564 K HA 0.185 4.333 4.320 -0.288 0.000 0.269 564 K C 0.657 177.304 176.600 0.079 0.000 0.972 564 K CA 0.158 56.477 56.287 0.054 0.000 0.938 564 K CB -0.127 32.407 32.500 0.056 0.000 0.931 564 K HN 0.629 nan 8.250 nan 0.000 0.507 565 E N 1.713 121.985 120.200 0.119 0.000 3.187 565 E HA 0.004 4.181 4.350 -0.288 0.000 0.297 565 E C 1.473 178.217 176.600 0.240 0.000 1.515 565 E CA 0.890 57.419 56.400 0.215 0.000 1.641 565 E CB -1.327 28.542 29.700 0.281 0.000 1.314 565 E HN 0.847 nan 8.360 nan 0.000 0.462 566 T N -0.587 114.055 114.554 0.148 0.000 2.901 566 T HA -0.114 4.063 4.350 -0.288 0.000 0.252 566 T C 2.064 176.847 174.700 0.139 0.000 1.035 566 T CA 1.044 63.226 62.100 0.136 0.000 1.142 566 T CB -0.530 68.388 68.868 0.084 0.000 0.869 566 T HN 0.512 nan 8.240 nan 0.000 0.442 567 C N 0.418 119.752 119.300 0.058 0.000 2.396 567 C HA -0.104 4.183 4.460 -0.288 0.000 0.279 567 C C 2.251 177.282 174.990 0.069 0.000 1.229 567 C CA 0.576 59.598 59.018 0.008 0.000 1.801 567 C CB -2.133 25.536 27.740 -0.118 0.000 2.050 567 C HN 0.401 nan 8.230 nan 0.000 0.491 568 F N 2.527 122.483 119.950 0.010 0.000 2.091 568 F HA -0.077 4.278 4.527 -0.288 0.000 0.299 568 F C 2.760 178.763 175.800 0.339 0.000 1.103 568 F CA 1.981 60.048 58.000 0.113 0.000 1.228 568 F CB -1.006 38.065 39.000 0.117 0.000 0.984 568 F HN 0.331 nan 8.300 nan 0.000 0.477 569 A N -0.387 122.679 122.820 0.411 0.000 1.873 569 A HA -0.116 4.032 4.320 -0.288 0.000 0.215 569 A C 2.190 179.910 177.584 0.226 0.000 1.186 569 A CA 2.232 54.431 52.037 0.270 0.000 0.616 569 A CB -1.413 17.689 19.000 0.169 0.000 0.823 569 A HN 0.388 nan 8.150 nan 0.000 0.442 570 E N -0.978 119.334 120.200 0.187 0.000 2.015 570 E HA -0.098 4.079 4.350 -0.288 0.000 0.191 570 E C 2.053 178.756 176.600 0.171 0.000 0.991 570 E CA 2.215 58.698 56.400 0.139 0.000 0.802 570 E CB -1.396 28.361 29.700 0.095 0.000 0.759 570 E HN 0.875 nan 8.360 nan 0.000 0.447 571 E N 0.575 120.911 120.200 0.228 0.000 2.268 571 E HA 0.129 4.306 4.350 -0.288 0.000 0.195 571 E C 2.492 179.346 176.600 0.423 0.000 0.995 571 E CA 1.225 57.805 56.400 0.300 0.000 0.836 571 E CB -1.156 28.697 29.700 0.255 0.000 0.763 571 E HN 0.621 nan 8.360 nan 0.000 0.491 572 G N 0.452 109.554 108.800 0.503 0.000 2.418 572 G HA2 -0.097 3.691 3.960 -0.288 0.000 0.217 572 G HA3 -0.097 3.691 3.960 -0.288 0.000 0.217 572 G C 2.004 176.920 174.900 0.026 0.000 1.158 572 G CA 2.063 47.215 45.100 0.087 0.000 0.771 572 G HN 0.816 nan 8.290 nan 0.000 0.545 573 K N 0.252 120.718 120.400 0.109 0.000 2.296 573 K HA 0.309 4.456 4.320 -0.288 0.000 0.200 573 K C 2.502 179.133 176.600 0.052 0.000 1.048 573 K CA 1.772 58.108 56.287 0.081 0.000 0.966 573 K CB -0.832 31.712 32.500 0.073 0.000 0.754 573 K HN 0.620 nan 8.250 nan 0.000 0.466 574 K N 0.244 120.678 120.400 0.056 0.000 2.031 574 K HA 0.332 4.479 4.320 -0.288 0.000 0.205 574 K C 2.756 179.358 176.600 0.003 0.000 1.049 574 K CA 1.710 58.021 56.287 0.041 0.000 0.939 574 K CB -1.648 30.893 32.500 0.068 0.000 0.717 574 K HN 0.784 nan 8.250 nan 0.000 0.438 575 L N 0.716 121.913 121.223 -0.042 0.000 2.131 575 L HA 0.020 4.187 4.340 -0.288 0.000 0.210 575 L C 2.862 179.667 176.870 -0.108 0.000 1.092 575 L CA 2.289 57.070 54.840 -0.099 0.000 0.759 575 L CB -1.442 40.477 42.059 -0.233 0.000 0.903 575 L HN 0.337 nan 8.230 nan 0.000 0.435 576 V N 0.332 120.199 119.914 -0.078 0.000 2.332 576 V HA -0.282 3.665 4.120 -0.288 0.000 0.248 576 V C 3.181 179.258 176.094 -0.028 0.000 1.055 576 V CA 1.894 64.175 62.300 -0.030 0.000 1.038 576 V CB -1.385 30.507 31.823 0.116 0.000 0.651 576 V HN 0.794 nan 8.190 nan 0.000 0.450 577 A N 0.075 122.889 122.820 -0.011 0.000 1.908 577 A HA -0.142 4.005 4.320 -0.288 0.000 0.218 577 A C 2.439 180.012 177.584 -0.019 0.000 1.181 577 A CA 2.310 54.343 52.037 -0.007 0.000 0.627 577 A CB -0.825 18.177 19.000 0.004 0.000 0.818 577 A HN 0.582 nan 8.150 nan 0.000 0.445 578 A N -0.473 122.331 122.820 -0.026 0.000 1.855 578 A HA 0.105 4.252 4.320 -0.288 0.000 0.215 578 A C 2.638 180.198 177.584 -0.040 0.000 1.191 578 A CA 2.544 54.565 52.037 -0.027 0.000 0.613 578 A CB -1.394 17.592 19.000 -0.024 0.000 0.829 578 A HN 0.977 nan 8.150 nan 0.000 0.442 579 S N -0.450 115.210 115.700 -0.068 0.000 2.380 579 S HA -0.340 3.957 4.470 -0.288 0.000 0.229 579 S C 2.052 176.609 174.600 -0.072 0.000 1.043 579 S CA 2.021 60.167 58.200 -0.090 0.000 1.038 579 S CB -0.504 62.602 63.200 -0.157 0.000 0.872 579 S HN 0.680 nan 8.310 nan 0.000 0.456 580 Q N -0.134 119.627 119.800 -0.065 0.000 2.119 580 Q HA 0.042 4.209 4.340 -0.288 0.000 0.201 580 Q C 2.624 178.613 176.000 -0.019 0.000 0.972 580 Q CA 1.018 56.793 55.803 -0.047 0.000 0.847 580 Q CB -0.356 28.359 28.738 -0.039 0.000 0.903 580 Q HN 0.735 nan 8.270 nan 0.000 0.433 581 A N 1.186 123.996 122.820 -0.017 0.000 1.917 581 A HA -0.089 4.058 4.320 -0.288 0.000 0.219 581 A C 1.368 178.950 177.584 -0.004 0.000 1.182 581 A CA 1.413 53.446 52.037 -0.007 0.000 0.633 581 A CB -0.725 18.271 19.000 -0.007 0.000 0.819 581 A HN 0.412 nan 8.150 nan 0.000 0.448 582 A N 0.000 122.814 122.820 -0.011 0.000 2.254 582 A HA 0.000 4.147 4.320 -0.288 0.000 0.244 582 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 582 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486