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 3lu7_1_B DATA FIRST_RESID 4 DATA SEQUENCE KSEVAHRFKD LGEENFKALV LIAFAQYLQQ CPFEDHVKLV NEVTEFAKTc DATA SEQUENCE VADESAENcD KSLHTLFGDK LcTVATLRET YGEMADccAK QEPERNEcFL DATA SEQUENCE QHKDDNPNLP RLVRPEVDVM cTAFHDNEET FLKKYLYEIA RRHPYFYAPE DATA SEQUENCE LLFFAKRYKA AFTEccQAAD KAAcLLPKLD ELRDEGKASS AKQRLKcASL DATA SEQUENCE QKFGERAFKA WAVARLSQRF PKAEFAEVSK LVTDLTKVHT EccHGDLLEc DATA SEQUENCE ADDRADLAKY IcENQDSISS KLKEccEKPL LEKSHcIAEV ENDEMPADLP DATA SEQUENCE SLAADFVESK DVcKNYAEAK DVFLGMFLYE YARRHPDYSV VLLLRLAKTY DATA SEQUENCE ETTLEKccAA ADPHEcYAKV FDEFKPLVEE PQNLIKQNcE LFEQLGEYKF DATA SEQUENCE QNALLVRYTK KVPQVSTPTL VEVSRNLGKV GSKccKHPEA KRMPcAEDYL DATA SEQUENCE SVVLNQLcVL HEKTPVSDRV TKccTESLVN RRPcFSALEV DETYVPKEFN DATA SEQUENCE AETFTFHADI cTLSEKERQI KKQTALVELV KHKPKATKEQ LKAVMDDFAA DATA SEQUENCE FVEKccKADD KETcFAEEGK KLVAASQAA 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.602 176.600 0.003 0.000 0.988 4 K CA 0.000 56.273 56.287 -0.024 0.000 0.838 4 K CB 0.000 32.467 32.500 -0.054 0.000 1.064 5 S N 0.215 115.926 115.700 0.018 0.000 3.159 5 S HA -0.090 4.381 4.470 0.001 0.000 0.833 5 S C 0.297 174.944 174.600 0.080 0.000 0.614 5 S CA 0.680 58.910 58.200 0.050 0.000 1.529 5 S CB -0.547 62.682 63.200 0.048 0.000 1.037 5 S HN 0.299 nan 8.310 nan 0.000 0.862 6 E N 3.576 123.827 120.200 0.084 0.000 2.065 6 E HA 0.169 4.519 4.350 0.001 0.000 0.191 6 E C 2.005 178.706 176.600 0.168 0.000 0.960 6 E CA 1.371 57.839 56.400 0.112 0.000 0.824 6 E CB -0.360 29.365 29.700 0.042 0.000 0.793 6 E HN 0.866 nan 8.360 nan 0.000 0.459 7 V N 0.723 120.724 119.914 0.145 0.000 2.439 7 V HA -0.302 3.819 4.120 0.001 0.000 0.253 7 V C 1.984 178.204 176.094 0.209 0.000 1.074 7 V CA 2.409 64.850 62.300 0.236 0.000 1.076 7 V CB -0.616 31.355 31.823 0.246 0.000 0.664 7 V HN 0.416 nan 8.190 nan 0.000 0.461 8 A N -0.862 122.046 122.820 0.147 0.000 1.854 8 A HA -0.240 4.081 4.320 0.001 0.000 0.214 8 A C 2.069 179.736 177.584 0.138 0.000 1.192 8 A CA 1.890 53.978 52.037 0.085 0.000 0.611 8 A CB -1.065 17.968 19.000 0.055 0.000 0.832 8 A HN 0.839 nan 8.150 nan 0.000 0.442 9 H N 0.034 119.147 119.070 0.071 0.000 2.319 9 H HA -0.115 4.442 4.556 0.002 0.000 0.297 9 H C 1.912 177.301 175.328 0.101 0.000 1.097 9 H CA 2.190 58.280 56.048 0.070 0.000 1.285 9 H CB 0.018 29.811 29.762 0.053 0.000 1.368 9 H HN 0.235 nan 8.280 nan 0.000 0.495 10 R N -0.673 119.859 120.500 0.053 0.000 2.276 10 R HA -0.054 4.287 4.340 0.001 0.000 0.203 10 R C 1.975 178.357 176.300 0.136 0.000 1.017 10 R CA 0.598 56.734 56.100 0.060 0.000 1.010 10 R CB -0.873 29.572 30.300 0.241 0.000 0.900 10 R HN 0.397 nan 8.270 nan 0.000 0.469 11 F N 1.771 121.632 119.950 -0.149 0.000 2.187 11 F HA -0.021 4.506 4.527 0.001 0.000 0.295 11 F C 1.959 177.648 175.800 -0.185 0.000 1.091 11 F CA 1.229 58.999 58.000 -0.382 0.000 1.308 11 F CB 0.190 38.841 39.000 -0.582 0.000 1.030 11 F HN -0.159 nan 8.300 nan 0.000 0.487 12 K N 0.140 120.594 120.400 0.090 0.000 1.985 12 K HA -0.186 4.135 4.320 0.001 0.000 0.210 12 K C 1.653 178.220 176.600 -0.054 0.000 1.047 12 K CA 2.029 58.340 56.287 0.040 0.000 0.932 12 K CB -0.479 32.042 32.500 0.036 0.000 0.716 12 K HN 0.157 nan 8.250 nan 0.000 0.439 13 D N 0.750 121.084 120.400 -0.111 0.000 2.144 13 D HA -0.112 4.529 4.640 0.001 0.000 0.199 13 D C 1.846 178.098 176.300 -0.080 0.000 0.984 13 D CA 1.045 54.980 54.000 -0.109 0.000 0.834 13 D CB -0.035 40.656 40.800 -0.183 0.000 0.955 13 D HN 0.121 nan 8.370 nan 0.000 0.465 14 L N -0.819 120.353 121.223 -0.085 0.000 2.249 14 L HA 0.250 4.591 4.340 0.001 0.000 0.207 14 L C 1.145 177.944 176.870 -0.118 0.000 1.090 14 L CA 0.317 55.117 54.840 -0.068 0.000 0.802 14 L CB -0.565 41.487 42.059 -0.012 0.000 0.947 14 L HN 0.118 nan 8.230 nan 0.000 0.453 15 G N 0.597 109.263 108.800 -0.223 0.000 2.733 15 G HA2 -0.261 3.700 3.960 0.001 0.000 0.686 15 G HA3 -0.261 3.700 3.960 0.001 0.000 0.686 15 G C 0.280 174.898 174.900 -0.469 0.000 1.373 15 G CA 0.098 45.018 45.100 -0.300 0.000 0.838 15 G HN 0.282 nan 8.290 nan 0.000 0.588 16 E N 0.171 120.045 120.200 -0.543 0.000 2.086 16 E HA -0.241 4.110 4.350 0.001 0.000 0.205 16 E C 2.149 178.642 176.600 -0.178 0.000 1.027 16 E CA 2.359 58.460 56.400 -0.498 0.000 0.830 16 E CB -0.097 29.555 29.700 -0.080 0.000 0.751 16 E HN 0.749 nan 8.360 nan 0.000 0.456 17 E N -0.010 120.135 120.200 -0.091 0.000 2.026 17 E HA -0.241 4.110 4.350 0.001 0.000 0.206 17 E C 2.105 178.693 176.600 -0.020 0.000 1.028 17 E CA 1.593 57.977 56.400 -0.026 0.000 0.845 17 E CB -0.201 29.491 29.700 -0.013 0.000 0.772 17 E HN 0.309 nan 8.360 nan 0.000 0.462 18 N N 0.331 119.010 118.700 -0.035 0.000 2.106 18 N HA -0.152 4.589 4.740 0.001 0.000 0.188 18 N C 1.774 177.259 175.510 -0.041 0.000 1.029 18 N CA 0.790 53.821 53.050 -0.031 0.000 0.848 18 N CB -0.603 37.865 38.487 -0.031 0.000 1.007 18 N HN 0.085 nan 8.380 nan 0.000 0.423 19 F N 2.359 122.194 119.950 -0.191 0.000 2.063 19 F HA -0.316 4.212 4.527 0.001 0.000 0.297 19 F C 2.441 178.160 175.800 -0.135 0.000 1.099 19 F CA 1.941 59.831 58.000 -0.183 0.000 1.220 19 F CB -0.128 38.667 39.000 -0.341 0.000 0.972 19 F HN -0.031 nan 8.300 nan 0.000 0.487 20 K N -0.185 120.251 120.400 0.060 0.000 2.097 20 K HA -0.137 4.184 4.320 0.001 0.000 0.206 20 K C 2.170 178.688 176.600 -0.137 0.000 1.049 20 K CA 1.085 57.369 56.287 -0.005 0.000 0.933 20 K CB -0.372 32.176 32.500 0.079 0.000 0.717 20 K HN 0.384 nan 8.250 nan 0.000 0.442 21 A N 0.873 123.629 122.820 -0.106 0.000 1.897 21 A HA -0.067 4.254 4.320 0.001 0.000 0.215 21 A C 2.018 179.499 177.584 -0.173 0.000 1.181 21 A CA 0.974 52.951 52.037 -0.100 0.000 0.620 21 A CB -0.455 18.519 19.000 -0.044 0.000 0.821 21 A HN 0.267 nan 8.150 nan 0.000 0.443 22 L N -0.504 120.586 121.223 -0.222 0.000 2.141 22 L HA -0.132 4.209 4.340 0.001 0.000 0.209 22 L C 2.432 179.065 176.870 -0.395 0.000 1.094 22 L CA 0.770 55.460 54.840 -0.250 0.000 0.763 22 L CB -0.399 41.523 42.059 -0.228 0.000 0.908 22 L HN 0.238 nan 8.230 nan 0.000 0.437 23 V N -0.329 119.231 119.914 -0.590 0.000 2.379 23 V HA -0.245 3.875 4.120 0.001 0.000 0.245 23 V C 2.325 177.891 176.094 -0.879 0.000 1.044 23 V CA 1.316 63.052 62.300 -0.941 0.000 1.036 23 V CB -0.330 30.856 31.823 -1.063 0.000 0.664 23 V HN 0.312 nan 8.190 nan 0.000 0.453 24 L N 0.258 121.172 121.223 -0.515 0.000 2.079 24 L HA -0.160 4.181 4.340 0.001 0.000 0.210 24 L C 2.121 178.861 176.870 -0.217 0.000 1.081 24 L CA 1.971 56.631 54.840 -0.300 0.000 0.752 24 L CB -0.551 41.417 42.059 -0.151 0.000 0.896 24 L HN 0.253 nan 8.230 nan 0.000 0.433 25 I N -0.619 119.824 120.570 -0.212 0.000 2.252 25 I HA -0.237 3.934 4.170 0.001 0.000 0.245 25 I C 2.591 178.643 176.117 -0.108 0.000 1.102 25 I CA 1.057 62.277 61.300 -0.133 0.000 1.385 25 I CB -0.717 37.225 38.000 -0.096 0.000 1.064 25 I HN 0.338 nan 8.210 nan 0.000 0.414 26 A N 1.192 123.890 122.820 -0.204 0.000 1.858 26 A HA -0.190 4.131 4.320 0.001 0.000 0.216 26 A C 2.137 179.705 177.584 -0.026 0.000 1.190 26 A CA 1.541 53.487 52.037 -0.151 0.000 0.617 26 A CB -0.922 17.854 19.000 -0.373 0.000 0.827 26 A HN 0.292 nan 8.150 nan 0.000 0.443 27 F N 0.203 119.982 119.950 -0.285 0.000 2.095 27 F HA -0.129 4.399 4.527 0.001 0.000 0.298 27 F C 2.914 178.677 175.800 -0.062 0.000 1.104 27 F CA 0.487 58.391 58.000 -0.160 0.000 1.232 27 F CB -1.393 37.586 39.000 -0.034 0.000 0.987 27 F HN 0.292 nan 8.300 nan 0.000 0.475 28 A N -0.553 122.242 122.820 -0.041 0.000 1.972 28 A HA -0.203 4.118 4.320 0.001 0.000 0.219 28 A C 2.141 179.680 177.584 -0.074 0.000 1.169 28 A CA 1.458 53.350 52.037 -0.241 0.000 0.635 28 A CB -0.746 18.134 19.000 -0.199 0.000 0.810 28 A HN 0.481 nan 8.150 nan 0.000 0.446 29 Q N -2.137 117.677 119.800 0.024 0.000 2.245 29 Q HA -0.081 4.260 4.340 0.001 0.000 0.201 29 Q C 1.647 177.715 176.000 0.114 0.000 0.955 29 Q CA 1.034 56.865 55.803 0.047 0.000 0.870 29 Q CB -0.132 28.647 28.738 0.069 0.000 0.945 29 Q HN 0.802 nan 8.270 nan 0.000 0.461 30 Y N 0.248 120.518 120.300 -0.050 0.000 2.206 30 Y HA 0.001 4.552 4.550 0.001 0.000 0.292 30 Y C 0.839 176.711 175.900 -0.047 0.000 1.123 30 Y CA 0.667 58.712 58.100 -0.091 0.000 1.142 30 Y CB 0.361 38.668 38.460 -0.256 0.000 1.006 30 Y HN -0.043 nan 8.280 nan 0.000 0.518 31 L N 1.159 122.490 121.223 0.181 0.000 2.356 31 L HA 0.265 4.605 4.340 0.001 0.000 0.264 31 L C 0.591 177.602 176.870 0.236 0.000 1.029 31 L CA -0.141 54.819 54.840 0.200 0.000 0.897 31 L CB 1.222 43.394 42.059 0.189 0.000 1.256 31 L HN 0.144 nan 8.230 nan 0.000 0.444 32 Q N 0.271 120.152 119.800 0.134 0.000 2.245 32 Q HA -0.060 4.281 4.340 0.001 0.000 0.201 32 Q C 1.260 177.314 176.000 0.089 0.000 0.955 32 Q CA 0.809 56.641 55.803 0.049 0.000 0.870 32 Q CB 0.314 29.044 28.738 -0.015 0.000 0.945 32 Q HN 0.593 nan 8.270 nan 0.000 0.461 33 Q N -0.425 119.467 119.800 0.152 0.000 2.444 33 Q HA 0.032 4.372 4.340 0.001 0.000 0.206 33 Q C 0.261 176.368 176.000 0.178 0.000 0.948 33 Q CA 0.170 56.046 55.803 0.122 0.000 0.946 33 Q CB -0.027 28.756 28.738 0.076 0.000 1.027 33 Q HN 0.244 nan 8.270 nan 0.000 0.513 34 C N 2.585 122.096 119.300 0.351 0.000 2.536 34 C HA 0.376 4.837 4.460 0.001 0.000 0.396 34 C C -2.093 173.155 174.990 0.430 0.000 1.279 34 C CA -1.420 57.842 59.018 0.407 0.000 2.148 34 C CB 0.493 28.533 27.740 0.501 0.000 2.584 34 C HN 0.206 nan 8.230 nan 0.000 0.579 35 P HA 0.160 nan 4.420 nan 0.000 0.278 35 P C 0.407 177.796 177.300 0.149 0.000 1.238 35 P CA -0.261 62.971 63.100 0.219 0.000 0.794 35 P CB 0.269 32.029 31.700 0.101 0.000 0.955 36 F N 3.111 122.880 119.950 -0.302 0.000 2.147 36 F HA -0.297 4.231 4.527 0.001 0.000 0.301 36 F C 1.773 177.426 175.800 -0.245 0.000 1.084 36 F CA 1.866 59.449 58.000 -0.696 0.000 1.268 36 F CB -0.197 38.246 39.000 -0.928 0.000 1.009 36 F HN 0.272 nan 8.300 nan 0.000 0.486 37 E N 0.444 120.546 120.200 -0.163 0.000 2.023 37 E HA -0.238 4.113 4.350 0.001 0.000 0.196 37 E C 1.862 178.326 176.600 -0.227 0.000 1.003 37 E CA 1.715 58.001 56.400 -0.189 0.000 0.809 37 E CB -1.104 28.576 29.700 -0.033 0.000 0.755 37 E HN 0.433 nan 8.360 nan 0.000 0.449 38 D N 0.560 120.867 120.400 -0.154 0.000 2.133 38 D HA -0.163 4.478 4.640 0.001 0.000 0.195 38 D C 1.951 178.123 176.300 -0.214 0.000 0.997 38 D CA 1.143 55.039 54.000 -0.174 0.000 0.840 38 D CB -0.469 40.218 40.800 -0.187 0.000 0.947 38 D HN 0.336 nan 8.370 nan 0.000 0.452 39 H N -0.260 118.702 119.070 -0.180 0.000 2.387 39 H HA -0.024 4.533 4.556 0.001 0.000 0.299 39 H C 2.245 177.474 175.328 -0.166 0.000 1.090 39 H CA 0.714 56.688 56.048 -0.123 0.000 1.332 39 H CB -0.121 29.581 29.762 -0.101 0.000 1.386 39 H HN 0.063 nan 8.280 nan 0.000 0.516 40 V N 1.063 120.828 119.914 -0.247 0.000 2.427 40 V HA -0.200 3.921 4.120 0.001 0.000 0.248 40 V C 2.604 178.631 176.094 -0.112 0.000 1.051 40 V CA 1.541 63.688 62.300 -0.255 0.000 1.048 40 V CB -0.349 31.217 31.823 -0.429 0.000 0.666 40 V HN 0.297 nan 8.190 nan 0.000 0.456 41 K N 0.123 120.460 120.400 -0.104 0.000 2.009 41 K HA -0.180 4.141 4.320 0.001 0.000 0.210 41 K C 2.160 178.757 176.600 -0.004 0.000 1.049 41 K CA 1.718 57.975 56.287 -0.050 0.000 0.929 41 K CB -0.266 32.199 32.500 -0.058 0.000 0.714 41 K HN 0.374 nan 8.250 nan 0.000 0.440 42 L N 0.618 121.844 121.223 0.004 0.000 2.042 42 L HA -0.212 4.129 4.340 0.001 0.000 0.210 42 L C 2.450 179.439 176.870 0.198 0.000 1.076 42 L CA 0.996 55.884 54.840 0.080 0.000 0.749 42 L CB -0.526 41.538 42.059 0.009 0.000 0.893 42 L HN 0.074 nan 8.230 nan 0.000 0.432 43 V N 0.273 120.273 119.914 0.143 0.000 2.261 43 V HA -0.281 3.840 4.120 0.001 0.000 0.246 43 V C 2.269 178.392 176.094 0.049 0.000 1.047 43 V CA 2.009 64.311 62.300 0.003 0.000 1.015 43 V CB -0.663 31.101 31.823 -0.097 0.000 0.642 43 V HN 0.511 nan 8.190 nan 0.000 0.446 44 N N -0.030 118.700 118.700 0.050 0.000 2.142 44 N HA -0.159 4.582 4.740 0.001 0.000 0.186 44 N C 1.810 177.384 175.510 0.107 0.000 1.023 44 N CA 1.340 54.435 53.050 0.075 0.000 0.852 44 N CB -0.324 38.188 38.487 0.042 0.000 0.998 44 N HN 0.592 nan 8.380 nan 0.000 0.424 45 E N 0.537 120.796 120.200 0.099 0.000 2.070 45 E HA -0.134 4.217 4.350 0.001 0.000 0.197 45 E C 1.916 178.632 176.600 0.193 0.000 1.004 45 E CA 1.081 57.556 56.400 0.125 0.000 0.805 45 E CB 0.005 29.763 29.700 0.098 0.000 0.744 45 E HN 0.092 nan 8.360 nan 0.000 0.451 46 V N 0.966 120.997 119.914 0.195 0.000 2.427 46 V HA -0.207 3.914 4.120 0.001 0.000 0.248 46 V C 2.249 178.553 176.094 0.349 0.000 1.051 46 V CA 2.016 64.461 62.300 0.242 0.000 1.048 46 V CB -0.571 31.362 31.823 0.183 0.000 0.666 46 V HN 0.329 nan 8.190 nan 0.000 0.456 47 T N -0.616 114.128 114.554 0.317 0.000 2.821 47 T HA -0.192 4.159 4.350 0.001 0.000 0.267 47 T C 1.817 176.626 174.700 0.182 0.000 1.046 47 T CA 1.595 63.908 62.100 0.355 0.000 1.139 47 T CB -0.099 68.964 68.868 0.325 0.000 0.871 47 T HN 0.627 nan 8.240 nan 0.000 0.454 48 E N 0.475 120.769 120.200 0.156 0.000 2.017 48 E HA -0.153 4.198 4.350 0.001 0.000 0.193 48 E C 1.938 178.591 176.600 0.087 0.000 0.997 48 E CA 1.036 57.487 56.400 0.086 0.000 0.804 48 E CB -0.311 29.440 29.700 0.086 0.000 0.757 48 E HN 0.497 nan 8.360 nan 0.000 0.448 49 F N 1.136 121.098 119.950 0.020 0.000 2.063 49 F HA -0.333 4.195 4.527 0.001 0.000 0.298 49 F C 2.128 177.906 175.800 -0.037 0.000 1.105 49 F CA 2.163 60.172 58.000 0.016 0.000 1.215 49 F CB -0.347 38.699 39.000 0.076 0.000 0.972 49 F HN 0.148 nan 8.300 nan 0.000 0.483 50 A N -0.307 122.719 122.820 0.344 0.000 2.015 50 A HA -0.167 4.154 4.320 0.001 0.000 0.219 50 A C 2.116 179.513 177.584 -0.313 0.000 1.163 50 A CA 1.599 53.701 52.037 0.109 0.000 0.646 50 A CB -0.609 18.416 19.000 0.042 0.000 0.806 50 A HN 0.503 nan 8.150 nan 0.000 0.448 51 K N -0.333 119.831 120.400 -0.393 0.000 2.097 51 K HA -0.127 4.194 4.320 0.001 0.000 0.206 51 K C 2.273 178.687 176.600 -0.310 0.000 1.049 51 K CA 1.762 57.754 56.287 -0.492 0.000 0.933 51 K CB -0.395 31.901 32.500 -0.341 0.000 0.717 51 K HN 0.742 nan 8.250 nan 0.000 0.442 52 T N -0.898 113.507 114.554 -0.247 0.000 2.720 52 T HA -0.195 4.156 4.350 0.001 0.000 0.268 52 T C 2.231 176.810 174.700 -0.202 0.000 1.037 52 T CA 1.479 63.444 62.100 -0.225 0.000 1.144 52 T CB -0.892 67.806 68.868 -0.283 0.000 0.864 52 T HN 0.223 nan 8.240 nan 0.000 0.444 53 c N 1.065 119.546 118.600 -0.198 0.000 2.432 53 c HA 0.126 4.697 4.570 0.001 0.000 0.280 53 c C 2.937 176.968 174.090 -0.099 0.000 1.353 53 c CA 0.092 56.352 56.329 -0.115 0.000 1.766 53 c CB -1.295 41.205 42.510 -0.017 0.000 1.924 53 c HN 0.483 nan 8.230 nan 0.000 0.509 54 V N 1.290 121.107 119.914 -0.161 0.000 2.379 54 V HA -0.126 3.995 4.120 0.001 0.000 0.245 54 V C 2.697 178.734 176.094 -0.094 0.000 1.044 54 V CA 2.030 64.253 62.300 -0.128 0.000 1.036 54 V CB -1.209 30.490 31.823 -0.207 0.000 0.664 54 V HN 0.566 nan 8.190 nan 0.000 0.453 55 A N -0.750 122.000 122.820 -0.116 0.000 1.835 55 A HA -0.159 4.162 4.320 0.001 0.000 0.215 55 A C 1.324 178.868 177.584 -0.067 0.000 1.199 55 A CA 1.713 53.698 52.037 -0.086 0.000 0.615 55 A CB -0.214 18.727 19.000 -0.098 0.000 0.838 55 A HN 0.504 nan 8.150 nan 0.000 0.444 56 D N -1.463 118.891 120.400 -0.077 0.000 2.629 56 D HA 0.277 4.918 4.640 0.001 0.000 0.250 56 D C 0.064 176.329 176.300 -0.057 0.000 1.126 56 D CA -0.349 53.616 54.000 -0.060 0.000 0.852 56 D CB 1.302 42.065 40.800 -0.061 0.000 1.335 56 D HN 0.261 nan 8.370 nan 0.000 0.518 57 E N 1.097 121.276 120.200 -0.034 0.000 2.285 57 E HA -0.037 4.314 4.350 0.001 0.000 0.194 57 E C 1.321 177.911 176.600 -0.017 0.000 0.997 57 E CA 0.498 56.888 56.400 -0.018 0.000 0.845 57 E CB 0.306 30.004 29.700 -0.003 0.000 0.782 57 E HN 0.283 nan 8.360 nan 0.000 0.491 58 S N 1.121 116.807 115.700 -0.024 0.000 2.522 58 S HA 0.093 4.564 4.470 0.001 0.000 0.227 58 S C 1.055 175.637 174.600 -0.030 0.000 0.986 58 S CA 0.208 58.396 58.200 -0.020 0.000 0.929 58 S CB -0.008 63.180 63.200 -0.020 0.000 0.769 58 S HN 0.291 nan 8.310 nan 0.000 0.529 59 A N 1.773 124.561 122.820 -0.054 0.000 2.547 59 A HA 0.130 4.451 4.320 0.001 0.000 0.233 59 A C 1.371 178.915 177.584 -0.066 0.000 1.067 59 A CA -0.062 51.925 52.037 -0.084 0.000 0.763 59 A CB -0.003 18.909 19.000 -0.147 0.000 1.007 59 A HN 0.273 nan 8.150 nan 0.000 0.506 60 E N 1.335 121.496 120.200 -0.065 0.000 2.063 60 E HA -0.240 4.111 4.350 0.001 0.000 0.221 60 E C 0.827 177.450 176.600 0.038 0.000 1.052 60 E CA 2.636 59.028 56.400 -0.013 0.000 0.891 60 E CB -0.101 29.594 29.700 -0.009 0.000 0.792 60 E HN 0.746 nan 8.360 nan 0.000 0.482 61 N N -0.678 118.077 118.700 0.093 0.000 2.279 61 N HA 0.043 4.784 4.740 0.001 0.000 0.226 61 N C 0.392 176.108 175.510 0.344 0.000 1.126 61 N CA 0.203 53.398 53.050 0.240 0.000 0.846 61 N CB 0.092 38.806 38.487 0.378 0.000 1.050 61 N HN 0.220 nan 8.380 nan 0.000 0.502 62 c N 0.987 119.704 118.600 0.196 0.000 2.448 62 c HA -0.053 4.518 4.570 0.001 0.000 0.280 62 c C 2.109 176.282 174.090 0.139 0.000 1.398 62 c CA 0.278 56.728 56.329 0.202 0.000 1.774 62 c CB -0.594 41.960 42.510 0.073 0.000 1.888 62 c HN 0.523 nan 8.230 nan 0.000 0.519 63 D N 1.050 121.509 120.400 0.097 0.000 2.312 63 D HA -0.072 4.569 4.640 0.001 0.000 0.211 63 D C 0.718 177.051 176.300 0.055 0.000 0.964 63 D CA 0.530 54.567 54.000 0.061 0.000 0.877 63 D CB -0.423 40.403 40.800 0.043 0.000 0.924 63 D HN 0.417 nan 8.370 nan 0.000 0.515 64 K N 0.935 121.378 120.400 0.073 0.000 2.397 64 K HA 0.138 4.459 4.320 0.001 0.000 0.265 64 K C 0.624 177.222 176.600 -0.003 0.000 0.982 64 K CA -0.007 56.303 56.287 0.038 0.000 0.931 64 K CB 0.488 33.010 32.500 0.036 0.000 0.943 64 K HN 0.166 nan 8.250 nan 0.000 0.501 65 S N 1.186 116.875 115.700 -0.019 0.000 2.580 65 S HA 0.126 4.597 4.470 0.001 0.000 0.274 65 S C 1.478 175.977 174.600 -0.167 0.000 1.329 65 S CA -0.783 57.383 58.200 -0.058 0.000 1.036 65 S CB 0.581 63.781 63.200 0.000 0.000 0.919 65 S HN 0.529 nan 8.310 nan 0.000 0.515 66 L N 0.720 121.760 121.223 -0.305 0.000 2.079 66 L HA -0.165 4.176 4.340 0.001 0.000 0.210 66 L C 2.590 179.072 176.870 -0.647 0.000 1.081 66 L CA 1.395 55.820 54.840 -0.692 0.000 0.752 66 L CB -0.897 40.692 42.059 -0.783 0.000 0.896 66 L HN 0.772 nan 8.230 nan 0.000 0.433 67 H N -0.259 118.672 119.070 -0.231 0.000 2.387 67 H HA -0.104 4.452 4.556 0.001 0.000 0.299 67 H C 2.395 177.727 175.328 0.007 0.000 1.090 67 H CA 1.833 57.859 56.048 -0.037 0.000 1.332 67 H CB -0.357 29.448 29.762 0.072 0.000 1.386 67 H HN 0.306 nan 8.280 nan 0.000 0.516 68 T N 1.412 116.019 114.554 0.090 0.000 2.668 68 T HA -0.075 4.276 4.350 0.001 0.000 0.262 68 T C 2.513 177.235 174.700 0.037 0.000 1.045 68 T CA 0.947 63.086 62.100 0.065 0.000 1.152 68 T CB -0.441 68.448 68.868 0.036 0.000 0.864 68 T HN 0.155 nan 8.240 nan 0.000 0.419 69 L N -0.124 121.069 121.223 -0.049 0.000 2.012 69 L HA -0.082 4.259 4.340 0.001 0.000 0.210 69 L C 2.550 179.524 176.870 0.173 0.000 1.073 69 L CA 1.284 56.095 54.840 -0.049 0.000 0.748 69 L CB -0.641 41.297 42.059 -0.201 0.000 0.891 69 L HN 0.183 nan 8.230 nan 0.000 0.431 70 F N 0.414 120.375 119.950 0.018 0.000 2.084 70 F HA -0.058 4.470 4.527 0.002 0.000 0.296 70 F C 2.575 178.339 175.800 -0.060 0.000 1.111 70 F CA 1.016 59.066 58.000 0.084 0.000 1.224 70 F CB -1.779 37.289 39.000 0.114 0.000 0.991 70 F HN 0.026 nan 8.300 nan 0.000 0.471 71 G N -0.111 108.817 108.800 0.213 0.000 2.440 71 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 71 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 71 G C 1.412 176.365 174.900 0.088 0.000 1.154 71 G CA 1.128 46.332 45.100 0.173 0.000 0.767 71 G HN 0.223 nan 8.290 nan 0.000 0.552 72 D N 0.493 120.934 120.400 0.068 0.000 2.106 72 D HA -0.106 4.535 4.640 0.001 0.000 0.191 72 D C 2.351 178.627 176.300 -0.041 0.000 0.997 72 D CA 1.275 55.288 54.000 0.022 0.000 0.834 72 D CB -0.190 40.622 40.800 0.019 0.000 0.956 72 D HN 0.192 nan 8.370 nan 0.000 0.448 73 K N 0.522 120.878 120.400 -0.073 0.000 2.032 73 K HA -0.041 4.280 4.320 0.001 0.000 0.209 73 K C 2.162 178.559 176.600 -0.339 0.000 1.048 73 K CA 0.801 56.983 56.287 -0.175 0.000 0.927 73 K CB -0.563 31.846 32.500 -0.152 0.000 0.712 73 K HN 0.131 nan 8.250 nan 0.000 0.441 74 L N -0.359 120.589 121.223 -0.457 0.000 2.131 74 L HA -0.224 4.117 4.340 0.001 0.000 0.210 74 L C 2.268 178.978 176.870 -0.267 0.000 1.092 74 L CA 0.927 55.460 54.840 -0.512 0.000 0.759 74 L CB -0.343 41.348 42.059 -0.612 0.000 0.903 74 L HN 0.253 nan 8.230 nan 0.000 0.435 75 c N -0.585 117.943 118.600 -0.119 0.000 2.481 75 c HA -0.079 4.492 4.570 0.001 0.000 0.275 75 c C 2.937 176.978 174.090 -0.082 0.000 1.419 75 c CA 1.094 57.395 56.329 -0.047 0.000 1.773 75 c CB -1.083 41.439 42.510 0.020 0.000 1.862 75 c HN 0.661 nan 8.230 nan 0.000 0.530 76 T N -1.232 113.258 114.554 -0.107 0.000 2.788 76 T HA -0.088 4.263 4.350 0.001 0.000 0.268 76 T C 1.272 175.914 174.700 -0.097 0.000 1.044 76 T CA 2.001 64.049 62.100 -0.088 0.000 1.139 76 T CB -0.289 68.525 68.868 -0.088 0.000 0.867 76 T HN 0.341 nan 8.240 nan 0.000 0.454 77 V N 0.400 120.225 119.914 -0.147 0.000 3.645 77 V HA 0.520 4.641 4.120 0.001 0.000 0.275 77 V C 2.833 178.812 176.094 -0.192 0.000 1.356 77 V CA 0.104 62.325 62.300 -0.132 0.000 1.051 77 V CB -0.369 31.364 31.823 -0.149 0.000 0.828 77 V HN 0.557 nan 8.190 nan 0.000 0.441 78 A N 0.123 122.771 122.820 -0.286 0.000 1.972 78 A HA -0.097 4.224 4.320 0.001 0.000 0.219 78 A C 1.550 178.896 177.584 -0.397 0.000 1.169 78 A CA 1.502 53.239 52.037 -0.500 0.000 0.635 78 A CB -0.643 18.185 19.000 -0.286 0.000 0.810 78 A HN 0.453 nan 8.150 nan 0.000 0.446 79 T N 0.942 115.404 114.554 -0.155 0.000 2.961 79 T HA 0.454 4.805 4.350 0.001 0.000 0.270 79 T C 0.063 174.792 174.700 0.047 0.000 0.926 79 T CA 0.585 62.656 62.100 -0.050 0.000 1.112 79 T CB -0.431 68.419 68.868 -0.029 0.000 0.926 79 T HN 0.312 nan 8.240 nan 0.000 0.612 80 L N 2.185 123.506 121.223 0.163 0.000 3.722 80 L HA 0.112 4.453 4.340 0.001 0.000 0.383 80 L C 1.935 178.994 176.870 0.315 0.000 1.308 80 L CA -0.542 54.458 54.840 0.268 0.000 1.117 80 L CB 0.094 42.393 42.059 0.400 0.000 1.361 80 L HN 0.477 nan 8.230 nan 0.000 0.591 81 R N 0.362 121.006 120.500 0.240 0.000 2.279 81 R HA -0.330 4.010 4.340 0.001 0.000 0.264 81 R C 1.305 177.661 176.300 0.093 0.000 1.138 81 R CA 2.472 58.676 56.100 0.174 0.000 0.981 81 R CB -0.694 29.654 30.300 0.078 0.000 0.909 81 R HN 0.452 nan 8.270 nan 0.000 0.462 82 E N 0.185 120.420 120.200 0.059 0.000 2.352 82 E HA -0.199 4.152 4.350 0.001 0.000 0.203 82 E C 0.469 177.042 176.600 -0.044 0.000 1.024 82 E CA 1.878 58.283 56.400 0.008 0.000 0.842 82 E CB 0.129 29.834 29.700 0.008 0.000 0.753 82 E HN 0.647 nan 8.360 nan 0.000 0.508 83 T N -2.175 112.319 114.554 -0.100 0.000 2.993 83 T HA 0.110 4.460 4.350 0.001 0.000 0.260 83 T C 0.208 174.667 174.700 -0.401 0.000 0.939 83 T CA -0.192 61.735 62.100 -0.288 0.000 0.886 83 T CB 0.102 68.704 68.868 -0.444 0.000 1.209 83 T HN 0.101 nan 8.240 nan 0.000 0.518 84 Y N 1.171 121.469 120.300 -0.002 0.000 2.662 84 Y HA 0.630 5.181 4.550 0.002 0.000 0.205 84 Y C 2.314 178.207 175.900 -0.012 0.000 0.979 84 Y CA 0.659 58.757 58.100 -0.003 0.000 1.320 84 Y CB -0.263 38.195 38.460 -0.004 0.000 1.075 84 Y HN 0.186 nan 8.280 nan 0.000 0.472 85 G N -1.063 107.839 108.800 0.171 0.000 3.709 85 G HA2 -0.123 3.838 3.960 0.001 0.000 0.196 85 G HA3 -0.123 3.838 3.960 0.001 0.000 0.196 85 G C 0.268 175.179 174.900 0.017 0.000 1.177 85 G CA -0.100 45.040 45.100 0.067 0.000 0.906 85 G HN 0.289 nan 8.290 nan 0.000 0.416 86 E N 0.476 120.661 120.200 -0.024 0.000 3.306 86 E HA 0.332 4.683 4.350 0.001 0.000 0.197 86 E C 0.940 177.366 176.600 -0.289 0.000 0.980 86 E CA -0.434 55.895 56.400 -0.118 0.000 1.259 86 E CB 0.395 30.046 29.700 -0.082 0.000 1.112 86 E HN 0.277 nan 8.360 nan 0.000 0.458 87 M N -0.546 118.950 119.600 -0.173 0.000 2.567 87 M HA 0.189 4.669 4.480 0.001 0.000 0.261 87 M C 2.153 178.349 176.300 -0.174 0.000 1.180 87 M CA 0.515 55.699 55.300 -0.193 0.000 1.143 87 M CB -0.365 32.163 32.600 -0.121 0.000 1.319 87 M HN 0.198 nan 8.290 nan 0.000 0.490 88 A N 0.949 123.694 122.820 -0.125 0.000 1.969 88 A HA -0.166 4.155 4.320 0.001 0.000 0.218 88 A C 1.658 179.170 177.584 -0.120 0.000 1.169 88 A CA 1.725 53.703 52.037 -0.099 0.000 0.635 88 A CB -0.621 18.346 19.000 -0.056 0.000 0.810 88 A HN 0.366 nan 8.150 nan 0.000 0.445 89 D N 0.164 120.480 120.400 -0.139 0.000 2.204 89 D HA -0.228 4.413 4.640 0.001 0.000 0.189 89 D C 1.952 178.151 176.300 -0.168 0.000 1.006 89 D CA 1.977 55.898 54.000 -0.131 0.000 0.855 89 D CB -0.950 39.774 40.800 -0.127 0.000 0.946 89 D HN 0.513 nan 8.370 nan 0.000 0.448 90 c N 0.117 118.544 118.600 -0.288 0.000 2.432 90 c HA -0.038 4.533 4.570 0.001 0.000 0.280 90 c C 2.971 176.874 174.090 -0.313 0.000 1.353 90 c CA -0.268 55.805 56.329 -0.426 0.000 1.766 90 c CB -0.994 40.922 42.510 -0.990 0.000 1.924 90 c HN 0.456 nan 8.230 nan 0.000 0.509 91 c N 0.994 119.479 118.600 -0.190 0.000 2.446 91 c HA 0.079 4.649 4.570 0.001 0.000 0.279 91 c C 3.038 177.097 174.090 -0.052 0.000 1.366 91 c CA 0.983 57.273 56.329 -0.066 0.000 1.763 91 c CB -1.427 41.071 42.510 -0.020 0.000 1.929 91 c HN 0.705 nan 8.230 nan 0.000 0.509 92 A N 0.278 123.058 122.820 -0.068 0.000 2.015 92 A HA -0.049 4.272 4.320 0.001 0.000 0.219 92 A C 1.037 178.594 177.584 -0.044 0.000 1.163 92 A CA 1.034 53.042 52.037 -0.047 0.000 0.646 92 A CB -0.172 18.800 19.000 -0.047 0.000 0.806 92 A HN 0.670 nan 8.150 nan 0.000 0.448 93 K N 0.858 121.219 120.400 -0.064 0.000 2.185 93 K HA 0.357 4.678 4.320 0.001 0.000 0.271 93 K C -0.131 176.449 176.600 -0.033 0.000 1.013 93 K CA -0.137 56.119 56.287 -0.053 0.000 0.943 93 K CB 0.698 33.152 32.500 -0.077 0.000 0.998 93 K HN 0.433 nan 8.250 nan 0.000 0.468 94 Q N 1.413 121.203 119.800 -0.015 0.000 2.193 94 Q HA 0.149 4.490 4.340 0.001 0.000 0.246 94 Q C -0.351 175.655 176.000 0.009 0.000 0.959 94 Q CA -0.884 54.921 55.803 0.004 0.000 0.904 94 Q CB 1.084 29.827 28.738 0.008 0.000 1.238 94 Q HN 0.411 nan 8.270 nan 0.000 0.469 95 E N 2.288 122.506 120.200 0.029 0.000 2.392 95 E HA 0.015 4.366 4.350 0.001 0.000 0.264 95 E C -1.553 175.065 176.600 0.030 0.000 1.024 95 E CA -1.094 55.329 56.400 0.037 0.000 0.903 95 E CB 0.364 30.104 29.700 0.067 0.000 0.963 95 E HN 0.457 nan 8.360 nan 0.000 0.432 96 P HA 0.125 nan 4.420 nan 0.000 0.261 96 P C 0.508 177.804 177.300 -0.007 0.000 1.268 96 P CA 0.264 63.374 63.100 0.016 0.000 0.833 96 P CB 0.510 32.234 31.700 0.040 0.000 1.231 97 E N 0.642 120.835 120.200 -0.010 0.000 2.110 97 E HA -0.188 4.163 4.350 0.001 0.000 0.193 97 E C 2.227 178.788 176.600 -0.064 0.000 0.988 97 E CA 0.819 57.200 56.400 -0.032 0.000 0.804 97 E CB -0.160 29.521 29.700 -0.031 0.000 0.745 97 E HN 0.200 nan 8.360 nan 0.000 0.458 98 R N 1.185 121.649 120.500 -0.060 0.000 2.080 98 R HA -0.226 4.115 4.340 0.001 0.000 0.236 98 R C 2.165 178.418 176.300 -0.080 0.000 1.137 98 R CA 2.048 58.077 56.100 -0.118 0.000 0.943 98 R CB -0.261 30.022 30.300 -0.028 0.000 0.846 98 R HN 0.062 nan 8.270 nan 0.000 0.431 99 N N 0.328 119.053 118.700 0.042 0.000 2.104 99 N HA -0.232 4.509 4.740 0.001 0.000 0.190 99 N C 1.663 177.170 175.510 -0.005 0.000 1.024 99 N CA 1.972 55.081 53.050 0.099 0.000 0.853 99 N CB -0.084 38.263 38.487 -0.233 0.000 1.008 99 N HN 0.400 nan 8.380 nan 0.000 0.424 100 E N -0.801 119.353 120.200 -0.077 0.000 2.208 100 E HA -0.130 4.221 4.350 0.001 0.000 0.193 100 E C 1.897 178.438 176.600 -0.098 0.000 0.988 100 E CA 0.595 56.934 56.400 -0.102 0.000 0.828 100 E CB -0.202 29.464 29.700 -0.057 0.000 0.763 100 E HN 0.518 nan 8.360 nan 0.000 0.478 101 c N 0.121 118.656 118.600 -0.108 0.000 2.429 101 c HA -0.145 4.426 4.570 0.001 0.000 0.277 101 c C 2.299 176.389 174.090 -0.001 0.000 1.262 101 c CA 0.591 56.857 56.329 -0.106 0.000 1.733 101 c CB -1.253 41.141 42.510 -0.193 0.000 2.010 101 c HN 0.434 nan 8.230 nan 0.000 0.483 102 F N 1.412 121.374 119.950 0.019 0.000 2.051 102 F HA -0.029 4.498 4.527 0.002 0.000 0.296 102 F C 2.240 177.891 175.800 -0.249 0.000 1.122 102 F CA 1.780 59.728 58.000 -0.087 0.000 1.201 102 F CB -1.160 37.725 39.000 -0.192 0.000 0.978 102 F HN 0.155 nan 8.300 nan 0.000 0.472 103 L N -0.394 120.731 121.223 -0.164 0.000 2.013 103 L HA -0.318 4.023 4.340 0.001 0.000 0.212 103 L C 2.545 179.347 176.870 -0.114 0.000 1.073 103 L CA 1.859 56.556 54.840 -0.238 0.000 0.753 103 L CB -1.039 40.895 42.059 -0.209 0.000 0.890 103 L HN 0.242 nan 8.230 nan 0.000 0.432 104 Q N -0.207 119.518 119.800 -0.125 0.000 2.173 104 Q HA -0.269 4.072 4.340 0.001 0.000 0.208 104 Q C 1.849 177.703 176.000 -0.243 0.000 0.989 104 Q CA 2.023 57.709 55.803 -0.195 0.000 0.872 104 Q CB -0.059 28.492 28.738 -0.312 0.000 0.909 104 Q HN 0.628 nan 8.270 nan 0.000 0.420 105 H N -0.435 118.613 119.070 -0.037 0.000 2.539 105 H HA 0.171 4.728 4.556 0.001 0.000 0.267 105 H C -0.114 175.202 175.328 -0.021 0.000 0.982 105 H CA -0.095 55.944 56.048 -0.014 0.000 1.146 105 H CB 0.319 30.085 29.762 0.007 0.000 1.382 105 H HN 0.038 nan 8.280 nan 0.000 0.577 106 K N 1.839 122.240 120.400 0.000 0.000 2.530 106 K HA -0.084 4.237 4.320 0.001 0.000 0.280 106 K C -0.333 176.272 176.600 0.009 0.000 1.004 106 K CA 0.305 56.546 56.287 -0.076 0.000 1.071 106 K CB 0.303 32.620 32.500 -0.305 0.000 0.876 106 K HN 0.177 nan 8.250 nan 0.000 0.487 107 D N 2.521 122.923 120.400 0.004 0.000 2.329 107 D HA 0.058 4.698 4.640 0.001 0.000 0.232 107 D C 0.106 176.422 176.300 0.027 0.000 1.088 107 D CA -0.286 53.732 54.000 0.029 0.000 0.835 107 D CB 0.962 41.776 40.800 0.023 0.000 1.078 107 D HN 0.390 nan 8.370 nan 0.000 0.495 108 D N 2.600 123.046 120.400 0.076 0.000 2.371 108 D HA -0.083 4.558 4.640 0.001 0.000 0.221 108 D C 0.097 176.411 176.300 0.024 0.000 0.986 108 D CA 0.658 54.710 54.000 0.088 0.000 0.899 108 D CB 0.295 41.172 40.800 0.128 0.000 0.902 108 D HN 0.489 nan 8.370 nan 0.000 0.530 109 N N 0.357 119.059 118.700 0.004 0.000 2.732 109 N HA 0.107 4.848 4.740 0.001 0.000 0.235 109 N C -2.914 172.582 175.510 -0.022 0.000 1.466 109 N CA -1.037 52.002 53.050 -0.019 0.000 0.751 109 N CB 1.433 39.918 38.487 -0.004 0.000 1.317 109 N HN -0.214 nan 8.380 nan 0.000 0.525 110 P HA 0.213 nan 4.420 nan 0.000 0.278 110 P C -0.970 176.308 177.300 -0.036 0.000 1.238 110 P CA -0.373 62.709 63.100 -0.030 0.000 0.794 110 P CB 0.701 32.377 31.700 -0.040 0.000 0.955 111 N N 2.265 120.952 118.700 -0.023 0.000 2.744 111 N HA 0.142 4.883 4.740 0.001 0.000 0.290 111 N C -0.460 175.032 175.510 -0.029 0.000 1.206 111 N CA 0.408 53.444 53.050 -0.024 0.000 1.119 111 N CB -0.827 37.651 38.487 -0.015 0.000 1.449 111 N HN 0.345 nan 8.380 nan 0.000 0.514 112 L N 2.070 123.267 121.223 -0.042 0.000 2.305 112 L HA 0.454 4.795 4.340 0.001 0.000 0.284 112 L C -1.826 175.018 176.870 -0.043 0.000 1.013 112 L CA -2.001 52.811 54.840 -0.047 0.000 0.819 112 L CB 1.323 43.336 42.059 -0.077 0.000 1.227 112 L HN 0.082 nan 8.230 nan 0.000 0.417 113 P HA -0.033 nan 4.420 nan 0.000 0.261 113 P C -0.257 177.025 177.300 -0.031 0.000 1.173 113 P CA -0.020 63.065 63.100 -0.025 0.000 0.760 113 P CB 0.348 32.038 31.700 -0.016 0.000 0.783 114 R N 2.974 123.458 120.500 -0.027 0.000 2.522 114 R HA 0.022 4.363 4.340 0.001 0.000 0.284 114 R C -0.142 176.146 176.300 -0.020 0.000 1.032 114 R CA -0.505 55.578 56.100 -0.027 0.000 1.049 114 R CB 0.057 30.346 30.300 -0.018 0.000 0.956 114 R HN 0.352 nan 8.270 nan 0.000 0.422 115 L N 7.087 128.296 121.223 -0.025 0.000 2.536 115 L HA 0.073 4.414 4.340 0.001 0.000 0.282 115 L C -0.362 176.510 176.870 0.003 0.000 1.174 115 L CA 0.495 55.327 54.840 -0.015 0.000 0.989 115 L CB 0.345 42.387 42.059 -0.028 0.000 1.311 115 L HN 0.332 nan 8.230 nan 0.000 0.455 116 V N 7.268 127.186 119.914 0.007 0.000 2.555 116 V HA 0.303 4.424 4.120 0.001 0.000 0.286 116 V C 0.545 176.658 176.094 0.032 0.000 1.044 116 V CA -0.393 61.918 62.300 0.018 0.000 1.026 116 V CB 0.548 32.378 31.823 0.012 0.000 0.981 116 V HN 0.953 nan 8.190 nan 0.000 0.480 117 R N 6.573 127.101 120.500 0.048 0.000 2.457 117 R HA 0.701 5.042 4.340 0.001 0.000 0.284 117 R C -2.534 173.807 176.300 0.069 0.000 1.024 117 R CA -1.476 54.669 56.100 0.074 0.000 1.025 117 R CB 0.583 30.947 30.300 0.108 0.000 1.063 117 R HN 0.529 nan 8.270 nan 0.000 0.493 118 P HA 0.185 nan 4.420 nan 0.000 0.302 118 P C -0.848 176.498 177.300 0.076 0.000 1.307 118 P CA -0.758 62.384 63.100 0.070 0.000 0.754 118 P CB 0.400 32.144 31.700 0.073 0.000 1.298 119 E N -1.119 119.117 120.200 0.060 0.000 2.447 119 E HA 0.012 4.363 4.350 0.001 0.000 0.259 119 E C 1.101 177.743 176.600 0.071 0.000 1.196 119 E CA -0.277 56.155 56.400 0.052 0.000 0.995 119 E CB 0.095 29.817 29.700 0.038 0.000 0.974 119 E HN 0.013 nan 8.360 nan 0.000 0.465 120 V N 1.490 121.435 119.914 0.052 0.000 2.591 120 V HA -0.199 3.922 4.120 0.001 0.000 0.249 120 V C 1.049 177.180 176.094 0.062 0.000 1.053 120 V CA 1.871 64.205 62.300 0.057 0.000 1.068 120 V CB -0.566 31.261 31.823 0.007 0.000 0.689 120 V HN 0.589 nan 8.190 nan 0.000 0.462 121 D N 0.482 120.909 120.400 0.044 0.000 2.104 121 D HA -0.165 4.475 4.640 0.001 0.000 0.194 121 D C 2.061 178.392 176.300 0.051 0.000 0.994 121 D CA 1.388 55.413 54.000 0.042 0.000 0.830 121 D CB -0.415 40.403 40.800 0.030 0.000 0.959 121 D HN 0.305 nan 8.370 nan 0.000 0.452 122 V N 0.280 120.228 119.914 0.057 0.000 2.548 122 V HA -0.171 3.950 4.120 0.001 0.000 0.249 122 V C 2.235 178.372 176.094 0.071 0.000 1.055 122 V CA 1.257 63.593 62.300 0.059 0.000 1.065 122 V CB -0.368 31.492 31.823 0.061 0.000 0.681 122 V HN 0.233 nan 8.190 nan 0.000 0.462 123 M N -1.301 118.365 119.600 0.110 0.000 2.200 123 M HA -0.146 4.335 4.480 0.001 0.000 0.265 123 M C 2.301 178.544 176.300 -0.096 0.000 1.066 123 M CA 1.464 56.847 55.300 0.139 0.000 1.127 123 M CB -0.494 32.315 32.600 0.349 0.000 1.379 123 M HN 0.374 nan 8.290 nan 0.000 0.420 124 c N -0.054 118.556 118.600 0.017 0.000 2.450 124 c HA -0.078 4.492 4.570 0.001 0.000 0.279 124 c C 2.816 176.906 174.090 0.001 0.000 1.335 124 c CA 1.114 57.433 56.329 -0.017 0.000 1.749 124 c CB -0.921 41.641 42.510 0.087 0.000 1.963 124 c HN 0.544 nan 8.230 nan 0.000 0.501 125 T N 1.050 115.616 114.554 0.019 0.000 2.737 125 T HA -0.091 4.260 4.350 0.001 0.000 0.265 125 T C 2.145 176.829 174.700 -0.027 0.000 1.038 125 T CA 1.596 63.716 62.100 0.034 0.000 1.144 125 T CB -0.350 68.538 68.868 0.034 0.000 0.866 125 T HN 0.616 nan 8.240 nan 0.000 0.434 126 A N 1.052 123.828 122.820 -0.073 0.000 1.902 126 A HA -0.051 4.270 4.320 0.001 0.000 0.217 126 A C 1.992 179.410 177.584 -0.275 0.000 1.181 126 A CA 1.379 53.367 52.037 -0.080 0.000 0.623 126 A CB -1.008 18.038 19.000 0.076 0.000 0.818 126 A HN 0.468 nan 8.150 nan 0.000 0.443 127 F N 0.467 119.902 119.950 -0.858 0.000 2.065 127 F HA -0.257 4.270 4.527 0.001 0.000 0.298 127 F C 2.261 177.721 175.800 -0.566 0.000 1.112 127 F CA 2.506 59.840 58.000 -1.110 0.000 1.212 127 F CB -0.604 37.562 39.000 -1.389 0.000 0.975 127 F HN 0.432 nan 8.300 nan 0.000 0.476 128 H N -1.273 117.650 119.070 -0.245 0.000 2.470 128 H HA -0.103 4.454 4.556 0.001 0.000 0.289 128 H C 2.079 177.291 175.328 -0.193 0.000 1.033 128 H CA 1.081 56.991 56.048 -0.230 0.000 1.331 128 H CB -0.199 29.525 29.762 -0.063 0.000 1.414 128 H HN 0.341 nan 8.280 nan 0.000 0.545 129 D N 0.839 121.210 120.400 -0.050 0.000 2.081 129 D HA -0.154 4.487 4.640 0.001 0.000 0.194 129 D C 0.306 176.561 176.300 -0.076 0.000 0.986 129 D CA 1.091 55.065 54.000 -0.044 0.000 0.837 129 D CB 0.019 40.804 40.800 -0.025 0.000 0.985 129 D HN 0.172 nan 8.370 nan 0.000 0.448 130 N N -0.267 118.374 118.700 -0.099 0.000 2.576 130 N HA 0.035 4.776 4.740 0.001 0.000 0.269 130 N C 0.190 175.618 175.510 -0.137 0.000 1.058 130 N CA -0.228 52.772 53.050 -0.084 0.000 0.860 130 N CB 1.619 40.099 38.487 -0.011 0.000 1.249 130 N HN 0.264 nan 8.380 nan 0.000 0.525 131 E N 2.101 122.137 120.200 -0.272 0.000 2.250 131 E HA 0.006 4.357 4.350 0.001 0.000 0.192 131 E C 0.222 176.760 176.600 -0.102 0.000 0.986 131 E CA 0.651 56.792 56.400 -0.431 0.000 0.849 131 E CB 0.156 29.285 29.700 -0.952 0.000 0.797 131 E HN 0.395 nan 8.360 nan 0.000 0.482 132 E N 1.094 121.263 120.200 -0.052 0.000 2.047 132 E HA -0.125 4.226 4.350 0.001 0.000 0.191 132 E C 2.144 178.799 176.600 0.092 0.000 0.987 132 E CA 1.815 58.233 56.400 0.029 0.000 0.799 132 E CB -0.372 29.341 29.700 0.022 0.000 0.752 132 E HN 0.327 nan 8.360 nan 0.000 0.449 133 T N 1.405 116.018 114.554 0.097 0.000 2.821 133 T HA -0.111 4.240 4.350 0.001 0.000 0.267 133 T C 1.612 176.380 174.700 0.114 0.000 1.046 133 T CA 0.817 63.005 62.100 0.147 0.000 1.139 133 T CB -0.442 68.504 68.868 0.130 0.000 0.871 133 T HN 0.100 nan 8.240 nan 0.000 0.454 134 F N 1.823 121.753 119.950 -0.034 0.000 2.126 134 F HA -0.072 4.456 4.527 0.002 0.000 0.299 134 F C 1.834 177.675 175.800 0.069 0.000 1.096 134 F CA 1.254 59.236 58.000 -0.030 0.000 1.255 134 F CB -0.381 38.578 39.000 -0.067 0.000 0.997 134 F HN 0.056 nan 8.300 nan 0.000 0.479 135 L N -0.378 120.971 121.223 0.211 0.000 2.179 135 L HA -0.133 4.208 4.340 0.001 0.000 0.208 135 L C 2.316 179.265 176.870 0.131 0.000 1.096 135 L CA 1.038 55.992 54.840 0.191 0.000 0.779 135 L CB -0.641 41.563 42.059 0.242 0.000 0.922 135 L HN -0.013 nan 8.230 nan 0.000 0.443 136 K N 0.305 120.789 120.400 0.140 0.000 2.209 136 K HA -0.215 4.106 4.320 0.001 0.000 0.204 136 K C 2.106 178.840 176.600 0.223 0.000 1.048 136 K CA 1.185 57.595 56.287 0.205 0.000 0.940 136 K CB 0.024 32.703 32.500 0.300 0.000 0.729 136 K HN 0.025 nan 8.250 nan 0.000 0.451 137 K N -0.071 120.313 120.400 -0.027 0.000 2.167 137 K HA -0.128 4.193 4.320 0.001 0.000 0.203 137 K C 1.850 178.383 176.600 -0.112 0.000 1.052 137 K CA 0.764 56.895 56.287 -0.260 0.000 0.956 137 K CB -0.182 32.004 32.500 -0.524 0.000 0.735 137 K HN 0.079 nan 8.250 nan 0.000 0.451 138 Y N 1.235 121.349 120.300 -0.310 0.000 2.049 138 Y HA -0.260 4.291 4.550 0.002 0.000 0.277 138 Y C 1.493 177.230 175.900 -0.271 0.000 1.143 138 Y CA 1.918 59.765 58.100 -0.423 0.000 1.115 138 Y CB -0.459 37.595 38.460 -0.678 0.000 0.975 138 Y HN -0.035 nan 8.280 nan 0.000 0.487 139 L N -0.988 120.150 121.223 -0.140 0.000 1.997 139 L HA -0.324 4.017 4.340 0.001 0.000 0.216 139 L C 2.458 179.225 176.870 -0.171 0.000 1.074 139 L CA 2.151 56.870 54.840 -0.202 0.000 0.763 139 L CB -1.303 40.734 42.059 -0.037 0.000 0.890 139 L HN 0.389 nan 8.230 nan 0.000 0.434 140 Y N 1.217 121.445 120.300 -0.121 0.000 2.040 140 Y HA -0.312 4.239 4.550 0.001 0.000 0.275 140 Y C 2.655 178.469 175.900 -0.145 0.000 1.171 140 Y CA 2.008 60.066 58.100 -0.069 0.000 1.123 140 Y CB -0.268 38.287 38.460 0.157 0.000 0.963 140 Y HN 0.169 nan 8.280 nan 0.000 0.493 141 E N 0.046 120.048 120.200 -0.330 0.000 2.106 141 E HA -0.147 4.204 4.350 0.001 0.000 0.192 141 E C 2.372 178.733 176.600 -0.398 0.000 0.984 141 E CA 1.184 57.320 56.400 -0.439 0.000 0.806 141 E CB -0.207 29.355 29.700 -0.230 0.000 0.750 141 E HN 0.526 nan 8.360 nan 0.000 0.458 142 I N 0.998 121.306 120.570 -0.437 0.000 2.286 142 I HA -0.148 4.022 4.170 0.001 0.000 0.245 142 I C 2.374 178.325 176.117 -0.278 0.000 1.104 142 I CA 0.945 62.005 61.300 -0.401 0.000 1.397 142 I CB -1.222 36.334 38.000 -0.739 0.000 1.072 142 I HN -0.055 nan 8.210 nan 0.000 0.417 143 A N 1.778 124.404 122.820 -0.324 0.000 1.930 143 A HA -0.179 4.142 4.320 0.001 0.000 0.217 143 A C 2.402 179.881 177.584 -0.175 0.000 1.175 143 A CA 1.271 53.187 52.037 -0.203 0.000 0.627 143 A CB -0.524 18.366 19.000 -0.183 0.000 0.815 143 A HN 0.513 nan 8.150 nan 0.000 0.443 144 R N -0.668 119.650 120.500 -0.303 0.000 2.148 144 R HA 0.032 4.373 4.340 0.001 0.000 0.223 144 R C 1.803 177.964 176.300 -0.232 0.000 1.088 144 R CA 1.218 57.147 56.100 -0.285 0.000 0.985 144 R CB -0.314 29.721 30.300 -0.442 0.000 0.880 144 R HN 0.414 nan 8.270 nan 0.000 0.451 145 R N -0.149 120.187 120.500 -0.274 0.000 2.210 145 R HA 0.108 4.449 4.340 0.001 0.000 0.203 145 R C 0.117 176.129 176.300 -0.479 0.000 1.010 145 R CA 0.499 56.379 56.100 -0.367 0.000 1.008 145 R CB 0.256 30.288 30.300 -0.447 0.000 0.923 145 R HN 0.323 nan 8.270 nan 0.000 0.469 146 H N 0.695 119.756 119.070 -0.016 0.000 2.530 146 H HA 0.167 4.724 4.556 0.001 0.000 0.246 146 H C -1.935 173.453 175.328 0.101 0.000 1.346 146 H CA -1.993 54.120 56.048 0.107 0.000 1.424 146 H CB 1.421 31.346 29.762 0.272 0.000 1.445 146 H HN 0.050 nan 8.280 nan 0.000 0.511 147 P HA -0.084 nan 4.420 nan 0.000 0.233 147 P C 0.307 177.492 177.300 -0.190 0.000 1.167 147 P CA 0.870 63.908 63.100 -0.105 0.000 0.770 147 P CB 0.169 31.720 31.700 -0.248 0.000 0.837 148 Y N -2.138 118.263 120.300 0.167 0.000 2.636 148 Y HA 0.288 4.838 4.550 0.001 0.000 0.260 148 Y C 0.925 176.949 175.900 0.208 0.000 1.177 148 Y CA -1.095 57.098 58.100 0.156 0.000 1.209 148 Y CB -0.328 38.185 38.460 0.088 0.000 1.166 148 Y HN -0.225 nan 8.280 nan 0.000 0.531 149 F N 1.016 121.106 119.950 0.234 0.000 2.602 149 F HA -0.084 4.444 4.527 0.001 0.000 0.367 149 F C 0.308 176.282 175.800 0.289 0.000 1.126 149 F CA -0.523 57.609 58.000 0.220 0.000 1.321 149 F CB 0.270 39.359 39.000 0.148 0.000 1.094 149 F HN 0.067 nan 8.300 nan 0.000 0.594 150 Y N 6.478 126.876 120.300 0.162 0.000 2.584 150 Y HA 0.338 4.889 4.550 0.002 0.000 0.351 150 Y C 0.774 176.911 175.900 0.395 0.000 1.030 150 Y CA -0.905 57.338 58.100 0.238 0.000 1.332 150 Y CB 0.419 38.953 38.460 0.123 0.000 1.148 150 Y HN 0.705 nan 8.280 nan 0.000 0.528 151 A N 7.782 130.785 122.820 0.304 0.000 1.855 151 A HA -0.044 4.276 4.320 0.001 0.000 0.215 151 A C -0.418 177.140 177.584 -0.043 0.000 1.191 151 A CA 1.140 53.261 52.037 0.140 0.000 0.613 151 A CB -1.549 17.513 19.000 0.103 0.000 0.829 151 A HN 0.630 nan 8.150 nan 0.000 0.442 152 P HA -0.154 nan 4.420 nan 0.000 0.218 152 P C 1.280 178.426 177.300 -0.256 0.000 1.146 152 P CA 1.158 64.092 63.100 -0.278 0.000 0.813 152 P CB -0.006 31.453 31.700 -0.401 0.000 0.778 153 E N -0.758 119.233 120.200 -0.348 0.000 2.046 153 E HA -0.117 4.234 4.350 0.001 0.000 0.190 153 E C 1.892 178.548 176.600 0.094 0.000 0.982 153 E CA 0.755 57.089 56.400 -0.110 0.000 0.800 153 E CB -0.875 28.864 29.700 0.065 0.000 0.756 153 E HN 0.136 nan 8.360 nan 0.000 0.449 154 L N 1.438 122.855 121.223 0.324 0.000 2.081 154 L HA -0.182 4.159 4.340 0.001 0.000 0.212 154 L C 2.237 179.195 176.870 0.147 0.000 1.080 154 L CA 1.344 56.336 54.840 0.253 0.000 0.754 154 L CB -0.563 41.475 42.059 -0.034 0.000 0.893 154 L HN 0.095 nan 8.230 nan 0.000 0.433 155 L N -1.930 119.340 121.223 0.077 0.000 2.042 155 L HA -0.259 4.082 4.340 0.001 0.000 0.210 155 L C 2.465 179.397 176.870 0.103 0.000 1.076 155 L CA 1.617 56.499 54.840 0.070 0.000 0.749 155 L CB -0.814 41.262 42.059 0.028 0.000 0.893 155 L HN 0.327 nan 8.230 nan 0.000 0.432 156 F N 0.711 120.587 119.950 -0.122 0.000 2.084 156 F HA -0.205 4.322 4.527 0.002 0.000 0.296 156 F C 2.254 177.984 175.800 -0.116 0.000 1.111 156 F CA 1.276 59.160 58.000 -0.194 0.000 1.224 156 F CB -0.663 38.112 39.000 -0.373 0.000 0.991 156 F HN -0.133 nan 8.300 nan 0.000 0.471 157 F N 0.491 120.424 119.950 -0.028 0.000 2.126 157 F HA -0.210 4.318 4.527 0.001 0.000 0.299 157 F C 2.633 178.454 175.800 0.034 0.000 1.096 157 F CA 0.912 58.879 58.000 -0.054 0.000 1.255 157 F CB -1.160 37.938 39.000 0.164 0.000 0.997 157 F HN 0.107 nan 8.300 nan 0.000 0.479 158 A N 0.210 123.220 122.820 0.317 0.000 1.908 158 A HA -0.279 4.042 4.320 0.001 0.000 0.218 158 A C 2.148 179.791 177.584 0.099 0.000 1.181 158 A CA 2.112 54.296 52.037 0.244 0.000 0.627 158 A CB -0.766 18.373 19.000 0.233 0.000 0.818 158 A HN 0.382 nan 8.150 nan 0.000 0.445 159 K N -0.650 119.769 120.400 0.031 0.000 2.057 159 K HA -0.108 4.213 4.320 0.001 0.000 0.206 159 K C 2.313 178.876 176.600 -0.062 0.000 1.050 159 K CA 1.220 57.505 56.287 -0.003 0.000 0.935 159 K CB -0.178 32.316 32.500 -0.010 0.000 0.715 159 K HN 0.389 nan 8.250 nan 0.000 0.439 160 R N -0.662 119.726 120.500 -0.187 0.000 2.081 160 R HA -0.177 4.164 4.340 0.001 0.000 0.235 160 R C 2.259 178.524 176.300 -0.059 0.000 1.131 160 R CA 1.703 57.696 56.100 -0.178 0.000 0.960 160 R CB -0.566 29.563 30.300 -0.285 0.000 0.856 160 R HN 0.301 nan 8.270 nan 0.000 0.436 161 Y N 1.951 122.132 120.300 -0.199 0.000 2.069 161 Y HA -0.366 4.185 4.550 0.002 0.000 0.278 161 Y C 2.501 178.390 175.900 -0.018 0.000 1.175 161 Y CA 2.058 60.023 58.100 -0.226 0.000 1.134 161 Y CB -0.280 37.784 38.460 -0.660 0.000 0.965 161 Y HN -0.057 nan 8.280 nan 0.000 0.498 162 K N -0.317 120.154 120.400 0.118 0.000 2.020 162 K HA -0.242 4.079 4.320 0.001 0.000 0.212 162 K C 2.252 178.867 176.600 0.024 0.000 1.050 162 K CA 1.537 57.913 56.287 0.149 0.000 0.929 162 K CB -0.498 32.114 32.500 0.187 0.000 0.714 162 K HN 0.371 nan 8.250 nan 0.000 0.443 163 A N 0.994 123.804 122.820 -0.015 0.000 1.908 163 A HA -0.144 4.177 4.320 0.001 0.000 0.218 163 A C 2.347 179.847 177.584 -0.141 0.000 1.181 163 A CA 2.047 54.053 52.037 -0.052 0.000 0.627 163 A CB -0.949 18.020 19.000 -0.052 0.000 0.818 163 A HN 0.531 nan 8.150 nan 0.000 0.445 164 A N -0.982 121.710 122.820 -0.212 0.000 1.873 164 A HA -0.098 4.223 4.320 0.001 0.000 0.218 164 A C 1.973 179.253 177.584 -0.508 0.000 1.193 164 A CA 1.760 53.586 52.037 -0.352 0.000 0.629 164 A CB -0.880 17.857 19.000 -0.438 0.000 0.826 164 A HN 0.485 nan 8.150 nan 0.000 0.447 165 F N 0.404 119.992 119.950 -0.604 0.000 2.234 165 F HA -0.108 4.420 4.527 0.001 0.000 0.299 165 F C 2.761 178.095 175.800 -0.777 0.000 1.087 165 F CA 1.727 59.182 58.000 -0.909 0.000 1.340 165 F CB -0.783 37.200 39.000 -1.696 0.000 1.031 165 F HN 0.142 nan 8.300 nan 0.000 0.500 166 T N -0.778 113.568 114.554 -0.347 0.000 2.708 166 T HA -0.225 4.126 4.350 0.001 0.000 0.266 166 T C 1.911 176.588 174.700 -0.039 0.000 1.037 166 T CA 1.676 63.744 62.100 -0.054 0.000 1.146 166 T CB -0.227 68.678 68.868 0.062 0.000 0.865 166 T HN 0.349 nan 8.240 nan 0.000 0.435 167 E N -0.289 119.851 120.200 -0.099 0.000 2.016 167 E HA -0.115 4.236 4.350 0.001 0.000 0.190 167 E C 2.332 178.873 176.600 -0.099 0.000 0.985 167 E CA 1.225 57.576 56.400 -0.082 0.000 0.802 167 E CB -0.144 29.499 29.700 -0.095 0.000 0.762 167 E HN 0.438 nan 8.360 nan 0.000 0.448 168 c N 0.404 118.898 118.600 -0.176 0.000 2.435 168 c HA -0.061 4.510 4.570 0.001 0.000 0.279 168 c C 2.811 176.832 174.090 -0.116 0.000 1.321 168 c CA 0.184 56.409 56.329 -0.174 0.000 1.752 168 c CB -0.918 41.423 42.510 -0.281 0.000 1.959 168 c HN 0.649 nan 8.230 nan 0.000 0.500 169 c N -0.082 118.467 118.600 -0.086 0.000 2.446 169 c HA -0.093 4.477 4.570 0.001 0.000 0.279 169 c C 2.446 176.571 174.090 0.057 0.000 1.366 169 c CA 0.775 57.119 56.329 0.026 0.000 1.763 169 c CB -1.472 41.127 42.510 0.148 0.000 1.929 169 c HN 0.643 nan 8.230 nan 0.000 0.509 170 Q N 0.487 120.313 119.800 0.043 0.000 2.403 170 Q HA 0.277 4.618 4.340 0.001 0.000 0.203 170 Q C 0.685 176.680 176.000 -0.008 0.000 0.932 170 Q CA -0.150 55.664 55.803 0.019 0.000 0.945 170 Q CB 0.108 28.861 28.738 0.026 0.000 1.045 170 Q HN 0.658 nan 8.270 nan 0.000 0.511 171 A N 0.138 122.944 122.820 -0.023 0.000 2.354 171 A HA 0.528 4.849 4.320 0.001 0.000 0.269 171 A C 1.101 178.669 177.584 -0.027 0.000 1.109 171 A CA 0.294 52.312 52.037 -0.032 0.000 0.800 171 A CB 0.562 19.532 19.000 -0.051 0.000 1.045 171 A HN 0.327 nan 8.150 nan 0.000 0.489 172 A N 1.336 124.142 122.820 -0.024 0.000 1.873 172 A HA -0.104 4.217 4.320 0.001 0.000 0.218 172 A C 1.077 178.647 177.584 -0.023 0.000 1.193 172 A CA 1.926 53.951 52.037 -0.020 0.000 0.629 172 A CB -0.337 18.652 19.000 -0.018 0.000 0.826 172 A HN 0.754 nan 8.150 nan 0.000 0.447 173 D N -0.694 119.690 120.400 -0.028 0.000 2.479 173 D HA 0.313 4.954 4.640 0.001 0.000 0.218 173 D C 0.781 177.054 176.300 -0.045 0.000 1.131 173 D CA -0.097 53.883 54.000 -0.032 0.000 0.916 173 D CB 0.707 41.489 40.800 -0.031 0.000 1.022 173 D HN 0.330 nan 8.370 nan 0.000 0.515 174 K N 1.710 122.084 120.400 -0.045 0.000 1.973 174 K HA -0.095 4.226 4.320 0.001 0.000 0.210 174 K C 1.965 178.514 176.600 -0.085 0.000 1.045 174 K CA 1.252 57.500 56.287 -0.065 0.000 0.937 174 K CB -0.034 32.438 32.500 -0.046 0.000 0.721 174 K HN 0.338 nan 8.250 nan 0.000 0.438 175 A N 1.574 124.357 122.820 -0.063 0.000 1.986 175 A HA -0.218 4.103 4.320 0.001 0.000 0.220 175 A C 2.337 179.879 177.584 -0.070 0.000 1.171 175 A CA 2.116 54.115 52.037 -0.064 0.000 0.640 175 A CB -0.803 18.174 19.000 -0.038 0.000 0.811 175 A HN 0.397 nan 8.150 nan 0.000 0.451 176 A N -1.205 121.579 122.820 -0.061 0.000 1.872 176 A HA -0.162 4.159 4.320 0.001 0.000 0.214 176 A C 2.434 179.974 177.584 -0.073 0.000 1.187 176 A CA 1.580 53.583 52.037 -0.057 0.000 0.614 176 A CB -1.418 17.555 19.000 -0.044 0.000 0.826 176 A HN 0.923 nan 8.150 nan 0.000 0.442 177 c N -1.065 117.482 118.600 -0.088 0.000 2.429 177 c HA -0.024 4.547 4.570 0.001 0.000 0.277 177 c C 2.429 176.427 174.090 -0.153 0.000 1.262 177 c CA 1.353 57.616 56.329 -0.109 0.000 1.733 177 c CB -1.338 41.104 42.510 -0.113 0.000 2.010 177 c HN 0.564 nan 8.230 nan 0.000 0.483 178 L N 0.681 121.791 121.223 -0.187 0.000 2.004 178 L HA 0.148 4.489 4.340 0.001 0.000 0.205 178 L C 2.465 179.210 176.870 -0.208 0.000 1.089 178 L CA 1.776 56.450 54.840 -0.277 0.000 0.756 178 L CB -1.101 40.753 42.059 -0.342 0.000 0.900 178 L HN 0.374 nan 8.230 nan 0.000 0.440 179 L N 0.500 121.638 121.223 -0.143 0.000 2.058 179 L HA -0.274 4.067 4.340 0.001 0.000 0.226 179 L C -0.330 176.496 176.870 -0.074 0.000 1.089 179 L CA 2.288 57.074 54.840 -0.089 0.000 0.799 179 L CB -2.371 39.654 42.059 -0.056 0.000 0.900 179 L HN 0.361 nan 8.230 nan 0.000 0.442 180 P HA -0.125 nan 4.420 nan 0.000 0.226 180 P C 1.185 178.450 177.300 -0.059 0.000 1.153 180 P CA 1.328 64.396 63.100 -0.053 0.000 0.777 180 P CB 0.042 31.713 31.700 -0.047 0.000 0.794 181 K N -0.201 120.141 120.400 -0.098 0.000 2.044 181 K HA 0.045 4.366 4.320 0.001 0.000 0.204 181 K C 2.310 178.864 176.600 -0.077 0.000 1.049 181 K CA 0.866 57.092 56.287 -0.103 0.000 0.945 181 K CB -0.505 31.894 32.500 -0.168 0.000 0.724 181 K HN 0.125 nan 8.250 nan 0.000 0.440 182 L N 1.311 122.477 121.223 -0.095 0.000 2.042 182 L HA -0.243 4.098 4.340 0.001 0.000 0.210 182 L C 1.887 178.774 176.870 0.028 0.000 1.076 182 L CA 1.183 56.021 54.840 -0.004 0.000 0.749 182 L CB -0.584 41.479 42.059 0.007 0.000 0.893 182 L HN 0.194 nan 8.230 nan 0.000 0.432 183 D N -0.170 120.231 120.400 0.001 0.000 2.117 183 D HA -0.212 4.429 4.640 0.001 0.000 0.197 183 D C 2.059 178.362 176.300 0.006 0.000 0.987 183 D CA 1.130 55.135 54.000 0.008 0.000 0.829 183 D CB -0.042 40.757 40.800 -0.002 0.000 0.961 183 D HN 0.369 nan 8.370 nan 0.000 0.460 184 E N 0.289 120.489 120.200 0.001 0.000 2.058 184 E HA -0.152 4.199 4.350 0.001 0.000 0.194 184 E C 2.333 178.939 176.600 0.009 0.000 0.997 184 E CA 0.599 57.006 56.400 0.011 0.000 0.801 184 E CB -0.077 29.631 29.700 0.013 0.000 0.746 184 E HN 0.216 nan 8.360 nan 0.000 0.450 185 L N 0.620 121.848 121.223 0.008 0.000 2.046 185 L HA -0.175 4.166 4.340 0.001 0.000 0.208 185 L C 2.974 179.800 176.870 -0.073 0.000 1.077 185 L CA 1.042 55.869 54.840 -0.021 0.000 0.747 185 L CB -0.510 41.586 42.059 0.062 0.000 0.896 185 L HN 0.170 nan 8.230 nan 0.000 0.432 186 R N 0.428 120.924 120.500 -0.007 0.000 2.081 186 R HA -0.195 4.146 4.340 0.001 0.000 0.235 186 R C 1.621 177.899 176.300 -0.037 0.000 1.131 186 R CA 2.084 58.177 56.100 -0.011 0.000 0.960 186 R CB -0.372 29.945 30.300 0.028 0.000 0.856 186 R HN 0.340 nan 8.270 nan 0.000 0.436 187 D N 0.351 120.738 120.400 -0.022 0.000 2.123 187 D HA -0.136 4.505 4.640 0.001 0.000 0.200 187 D C 1.729 178.010 176.300 -0.032 0.000 0.976 187 D CA 1.057 55.049 54.000 -0.013 0.000 0.831 187 D CB -0.144 40.660 40.800 0.006 0.000 0.974 187 D HN 0.430 nan 8.370 nan 0.000 0.469 188 E N 0.029 120.196 120.200 -0.056 0.000 2.204 188 E HA -0.072 4.279 4.350 0.001 0.000 0.194 188 E C 1.987 178.466 176.600 -0.201 0.000 0.989 188 E CA 0.939 57.307 56.400 -0.053 0.000 0.824 188 E CB -0.060 29.652 29.700 0.019 0.000 0.756 188 E HN 0.242 nan 8.360 nan 0.000 0.477 189 G N 0.967 109.569 108.800 -0.330 0.000 2.394 189 G HA2 -0.224 3.737 3.960 0.001 0.000 0.214 189 G HA3 -0.224 3.737 3.960 0.001 0.000 0.214 189 G C 1.425 176.256 174.900 -0.115 0.000 1.176 189 G CA 0.450 45.383 45.100 -0.278 0.000 0.786 189 G HN 0.114 nan 8.290 nan 0.000 0.533 190 K N 0.679 121.007 120.400 -0.119 0.000 2.074 190 K HA -0.108 4.213 4.320 0.001 0.000 0.209 190 K C 2.914 179.474 176.600 -0.067 0.000 1.048 190 K CA 1.179 57.406 56.287 -0.100 0.000 0.926 190 K CB -0.276 32.215 32.500 -0.014 0.000 0.713 190 K HN 0.275 nan 8.250 nan 0.000 0.444 191 A N 0.889 123.694 122.820 -0.024 0.000 1.877 191 A HA -0.194 4.126 4.320 0.001 0.000 0.216 191 A C 2.309 179.886 177.584 -0.012 0.000 1.186 191 A CA 2.069 54.120 52.037 0.023 0.000 0.620 191 A CB -0.772 18.267 19.000 0.063 0.000 0.822 191 A HN 0.260 nan 8.150 nan 0.000 0.443 192 S N -0.644 115.040 115.700 -0.027 0.000 2.356 192 S HA -0.175 4.296 4.470 0.001 0.000 0.223 192 S C 2.426 176.816 174.600 -0.350 0.000 1.032 192 S CA 1.971 60.125 58.200 -0.077 0.000 1.005 192 S CB -0.491 62.777 63.200 0.114 0.000 0.867 192 S HN 0.755 nan 8.310 nan 0.000 0.449 193 S N 1.085 116.472 115.700 -0.522 0.000 2.365 193 S HA -0.120 4.350 4.470 0.001 0.000 0.225 193 S C 2.063 176.556 174.600 -0.179 0.000 1.039 193 S CA 1.735 59.669 58.200 -0.442 0.000 1.033 193 S CB -0.832 62.190 63.200 -0.297 0.000 0.887 193 S HN 0.630 nan 8.310 nan 0.000 0.447 194 A N 1.127 123.877 122.820 -0.116 0.000 1.877 194 A HA -0.063 4.258 4.320 0.001 0.000 0.216 194 A C 2.170 179.693 177.584 -0.103 0.000 1.186 194 A CA 1.902 53.895 52.037 -0.074 0.000 0.620 194 A CB -0.841 18.131 19.000 -0.046 0.000 0.822 194 A HN 0.621 nan 8.150 nan 0.000 0.443 195 K N -1.058 119.285 120.400 -0.096 0.000 2.059 195 K HA -0.263 4.058 4.320 0.001 0.000 0.212 195 K C 2.395 178.884 176.600 -0.184 0.000 1.050 195 K CA 2.096 58.311 56.287 -0.119 0.000 0.927 195 K CB -0.164 32.297 32.500 -0.067 0.000 0.714 195 K HN 0.490 nan 8.250 nan 0.000 0.447 196 Q N 0.292 119.987 119.800 -0.174 0.000 2.167 196 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 196 Q C 1.840 177.745 176.000 -0.158 0.000 0.970 196 Q CA 1.416 57.108 55.803 -0.184 0.000 0.855 196 Q CB -0.019 28.648 28.738 -0.119 0.000 0.911 196 Q HN 0.067 nan 8.270 nan 0.000 0.438 197 R N -0.561 119.864 120.500 -0.125 0.000 2.148 197 R HA -0.071 4.270 4.340 0.001 0.000 0.227 197 R C 1.813 178.004 176.300 -0.181 0.000 1.103 197 R CA 0.871 56.889 56.100 -0.137 0.000 0.983 197 R CB -0.574 29.683 30.300 -0.072 0.000 0.874 197 R HN 0.379 nan 8.270 nan 0.000 0.451 198 L N 0.795 121.899 121.223 -0.199 0.000 2.027 198 L HA -0.108 4.233 4.340 0.001 0.000 0.206 198 L C 1.566 178.267 176.870 -0.283 0.000 1.074 198 L CA 1.877 56.568 54.840 -0.248 0.000 0.745 198 L CB -0.341 41.522 42.059 -0.327 0.000 0.898 198 L HN 0.082 nan 8.230 nan 0.000 0.433 199 K N -1.260 118.958 120.400 -0.304 0.000 2.063 199 K HA -0.172 4.149 4.320 0.001 0.000 0.208 199 K C 2.092 178.627 176.600 -0.108 0.000 1.048 199 K CA 1.726 57.875 56.287 -0.229 0.000 0.928 199 K CB -0.576 31.734 32.500 -0.318 0.000 0.713 199 K HN 0.436 nan 8.250 nan 0.000 0.442 200 c N 0.392 118.903 118.600 -0.148 0.000 2.475 200 c HA 0.074 4.644 4.570 0.001 0.000 0.279 200 c C 2.917 176.925 174.090 -0.137 0.000 1.322 200 c CA 0.415 56.661 56.329 -0.137 0.000 1.734 200 c CB -0.696 41.689 42.510 -0.208 0.000 2.005 200 c HN 0.515 nan 8.230 nan 0.000 0.495 201 A N 1.113 123.841 122.820 -0.154 0.000 1.908 201 A HA -0.178 4.143 4.320 0.001 0.000 0.218 201 A C 2.228 179.874 177.584 0.102 0.000 1.181 201 A CA 2.442 54.443 52.037 -0.060 0.000 0.627 201 A CB -0.795 18.179 19.000 -0.042 0.000 0.818 201 A HN 0.576 nan 8.150 nan 0.000 0.445 202 S N 0.092 115.848 115.700 0.093 0.000 2.353 202 S HA -0.149 4.322 4.470 0.001 0.000 0.222 202 S C 1.856 176.597 174.600 0.236 0.000 1.035 202 S CA 1.592 59.920 58.200 0.213 0.000 1.025 202 S CB -0.585 62.667 63.200 0.088 0.000 0.902 202 S HN 0.501 nan 8.310 nan 0.000 0.440 203 L N 1.116 122.417 121.223 0.129 0.000 2.012 203 L HA -0.215 4.126 4.340 0.001 0.000 0.210 203 L C 2.796 179.700 176.870 0.057 0.000 1.073 203 L CA 1.487 56.373 54.840 0.076 0.000 0.748 203 L CB -0.509 41.538 42.059 -0.021 0.000 0.891 203 L HN 0.369 nan 8.230 nan 0.000 0.431 204 Q N -0.835 118.978 119.800 0.020 0.000 2.163 204 Q HA -0.090 4.251 4.340 0.001 0.000 0.198 204 Q C 2.064 178.017 176.000 -0.079 0.000 0.954 204 Q CA 0.764 56.556 55.803 -0.018 0.000 0.851 204 Q CB 0.230 28.942 28.738 -0.044 0.000 0.928 204 Q HN 0.316 nan 8.270 nan 0.000 0.459 205 K N -0.454 119.864 120.400 -0.137 0.000 2.202 205 K HA 0.074 4.394 4.320 0.001 0.000 0.201 205 K C 1.306 177.535 176.600 -0.618 0.000 1.051 205 K CA 0.859 56.879 56.287 -0.446 0.000 0.977 205 K CB 0.218 32.311 32.500 -0.678 0.000 0.792 205 K HN 0.164 nan 8.250 nan 0.000 0.469 206 F N 0.348 120.313 119.950 0.026 0.000 2.727 206 F HA 0.333 4.861 4.527 0.001 0.000 0.302 206 F C 1.024 176.857 175.800 0.056 0.000 1.107 206 F CA 0.219 58.245 58.000 0.044 0.000 1.277 206 F CB 0.622 39.657 39.000 0.058 0.000 1.079 206 F HN 0.142 nan 8.300 nan 0.000 0.594 207 G N 1.424 110.335 108.800 0.186 0.000 2.663 207 G HA2 -0.209 3.752 3.960 0.001 0.000 0.686 207 G HA3 -0.209 3.752 3.960 0.001 0.000 0.686 207 G C 0.407 175.407 174.900 0.166 0.000 1.288 207 G CA -0.162 45.017 45.100 0.133 0.000 0.836 207 G HN 0.415 nan 8.290 nan 0.000 0.584 208 E N -0.010 120.265 120.200 0.126 0.000 2.285 208 E HA -0.025 4.325 4.350 0.001 0.000 0.194 208 E C 2.178 178.901 176.600 0.204 0.000 0.997 208 E CA 0.972 57.462 56.400 0.151 0.000 0.845 208 E CB 0.025 29.765 29.700 0.066 0.000 0.782 208 E HN 0.642 nan 8.360 nan 0.000 0.491 209 R N 0.841 121.438 120.500 0.162 0.000 2.103 209 R HA -0.206 4.135 4.340 0.001 0.000 0.242 209 R C 2.213 178.622 176.300 0.182 0.000 1.142 209 R CA 1.798 57.992 56.100 0.158 0.000 0.960 209 R CB -0.434 29.942 30.300 0.128 0.000 0.858 209 R HN 0.325 nan 8.270 nan 0.000 0.439 210 A N 0.224 123.168 122.820 0.207 0.000 1.855 210 A HA -0.167 4.154 4.320 0.001 0.000 0.215 210 A C 2.022 179.751 177.584 0.242 0.000 1.191 210 A CA 1.273 53.434 52.037 0.208 0.000 0.613 210 A CB -0.894 18.245 19.000 0.232 0.000 0.829 210 A HN 0.507 nan 8.150 nan 0.000 0.442 211 F N 0.836 120.857 119.950 0.118 0.000 2.065 211 F HA -0.249 4.278 4.527 0.001 0.000 0.298 211 F C 2.317 178.198 175.800 0.134 0.000 1.112 211 F CA 2.431 60.486 58.000 0.091 0.000 1.212 211 F CB -0.134 38.887 39.000 0.036 0.000 0.975 211 F HN 0.105 nan 8.300 nan 0.000 0.476 212 K N 0.054 120.663 120.400 0.348 0.000 2.044 212 K HA -0.244 4.077 4.320 0.001 0.000 0.210 212 K C 2.276 178.949 176.600 0.122 0.000 1.049 212 K CA 1.386 57.819 56.287 0.243 0.000 0.927 212 K CB -0.706 31.923 32.500 0.215 0.000 0.713 212 K HN 0.412 nan 8.250 nan 0.000 0.443 213 A N 1.409 124.300 122.820 0.119 0.000 1.865 213 A HA -0.214 4.107 4.320 0.001 0.000 0.217 213 A C 1.934 179.542 177.584 0.040 0.000 1.191 213 A CA 1.322 53.406 52.037 0.077 0.000 0.623 213 A CB -1.003 18.034 19.000 0.062 0.000 0.826 213 A HN 0.561 nan 8.150 nan 0.000 0.444 214 W N 0.675 121.877 121.300 -0.162 0.000 2.317 214 W HA -0.274 4.386 4.660 0.001 0.000 0.318 214 W C 2.569 178.932 176.519 -0.260 0.000 1.227 214 W CA 2.495 59.697 57.345 -0.238 0.000 1.269 214 W CB -0.786 28.473 29.460 -0.336 0.000 1.155 214 W HN 0.443 nan 8.180 nan 0.000 0.484 215 A N -0.029 122.757 122.820 -0.056 0.000 1.883 215 A HA -0.195 4.126 4.320 0.001 0.000 0.217 215 A C 2.216 179.820 177.584 0.033 0.000 1.186 215 A CA 2.636 54.630 52.037 -0.072 0.000 0.624 215 A CB -1.213 17.709 19.000 -0.131 0.000 0.822 215 A HN 0.107 nan 8.150 nan 0.000 0.444 216 V N -0.056 119.890 119.914 0.053 0.000 2.233 216 V HA -0.310 3.810 4.120 0.001 0.000 0.247 216 V C 3.091 179.233 176.094 0.080 0.000 1.050 216 V CA 2.192 64.548 62.300 0.095 0.000 1.010 216 V CB -1.447 30.457 31.823 0.135 0.000 0.637 216 V HN 0.657 nan 8.190 nan 0.000 0.444 217 A N 0.013 122.838 122.820 0.008 0.000 1.884 217 A HA -0.350 3.971 4.320 0.001 0.000 0.219 217 A C 2.311 179.863 177.584 -0.053 0.000 1.197 217 A CA 2.763 54.761 52.037 -0.065 0.000 0.637 217 A CB -0.630 18.252 19.000 -0.196 0.000 0.827 217 A HN 0.479 nan 8.150 nan 0.000 0.450 218 R N -0.409 120.072 120.500 -0.032 0.000 2.066 218 R HA 0.054 4.395 4.340 0.001 0.000 0.232 218 R C 2.040 178.314 176.300 -0.044 0.000 1.131 218 R CA 1.555 57.644 56.100 -0.019 0.000 0.955 218 R CB -0.657 29.684 30.300 0.070 0.000 0.851 218 R HN 0.528 nan 8.270 nan 0.000 0.432 219 L N -0.156 121.071 121.223 0.006 0.000 2.141 219 L HA -0.120 4.220 4.340 0.001 0.000 0.209 219 L C 2.186 179.086 176.870 0.051 0.000 1.094 219 L CA 1.321 56.171 54.840 0.016 0.000 0.763 219 L CB -0.279 41.887 42.059 0.178 0.000 0.908 219 L HN 0.216 nan 8.230 nan 0.000 0.437 220 S N -0.707 115.059 115.700 0.110 0.000 2.368 220 S HA -0.191 4.280 4.470 0.001 0.000 0.224 220 S C 1.904 176.521 174.600 0.029 0.000 1.029 220 S CA 0.991 59.293 58.200 0.170 0.000 0.988 220 S CB -0.154 63.181 63.200 0.225 0.000 0.838 220 S HN 0.442 nan 8.310 nan 0.000 0.462 221 Q N 0.455 120.227 119.800 -0.046 0.000 2.096 221 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 221 Q C 2.435 178.357 176.000 -0.130 0.000 0.982 221 Q CA 1.287 57.036 55.803 -0.090 0.000 0.850 221 Q CB -0.130 28.553 28.738 -0.093 0.000 0.901 221 Q HN 0.188 nan 8.270 nan 0.000 0.422 222 R N -0.069 120.291 120.500 -0.234 0.000 2.062 222 R HA -0.056 4.285 4.340 0.001 0.000 0.229 222 R C 0.069 176.126 176.300 -0.406 0.000 1.128 222 R CA 1.161 56.987 56.100 -0.455 0.000 0.960 222 R CB 0.137 29.924 30.300 -0.855 0.000 0.855 222 R HN 0.071 nan 8.270 nan 0.000 0.432 223 F N 1.002 120.978 119.950 0.044 0.000 2.438 223 F HA 0.387 4.914 4.527 0.001 0.000 0.315 223 F C -1.678 174.168 175.800 0.076 0.000 1.258 223 F CA -2.859 55.175 58.000 0.056 0.000 1.180 223 F CB 1.431 40.474 39.000 0.072 0.000 1.412 223 F HN 0.052 nan 8.300 nan 0.000 0.544 224 P HA -0.119 nan 4.420 nan 0.000 0.225 224 P C 1.219 178.583 177.300 0.105 0.000 1.156 224 P CA 1.151 64.302 63.100 0.086 0.000 0.787 224 P CB 0.392 32.085 31.700 -0.011 0.000 0.802 225 K N -0.107 120.366 120.400 0.123 0.000 2.217 225 K HA 0.098 4.419 4.320 0.001 0.000 0.202 225 K C 1.192 177.872 176.600 0.133 0.000 1.051 225 K CA 0.236 56.583 56.287 0.100 0.000 0.952 225 K CB -0.240 32.304 32.500 0.074 0.000 0.736 225 K HN 0.085 nan 8.250 nan 0.000 0.453 226 A N 2.012 124.940 122.820 0.180 0.000 2.462 226 A HA 0.032 4.353 4.320 0.001 0.000 0.243 226 A C -0.036 177.688 177.584 0.234 0.000 1.076 226 A CA -0.149 51.983 52.037 0.159 0.000 0.773 226 A CB 0.232 19.311 19.000 0.132 0.000 1.010 226 A HN 0.156 nan 8.150 nan 0.000 0.493 227 E N 0.252 120.537 120.200 0.141 0.000 2.392 227 E HA 0.096 4.446 4.350 0.001 0.000 0.256 227 E C 0.310 176.862 176.600 -0.080 0.000 1.145 227 E CA -0.173 56.306 56.400 0.132 0.000 0.929 227 E CB 0.390 30.142 29.700 0.088 0.000 0.998 227 E HN 0.671 nan 8.360 nan 0.000 0.442 228 F N 1.822 121.497 119.950 -0.458 0.000 2.134 228 F HA -0.147 4.380 4.527 0.001 0.000 0.299 228 F C 1.960 177.566 175.800 -0.324 0.000 1.097 228 F CA 1.821 59.346 58.000 -0.792 0.000 1.264 228 F CB -0.314 38.295 39.000 -0.650 0.000 1.001 228 F HN 0.540 nan 8.300 nan 0.000 0.479 229 A N -0.290 122.409 122.820 -0.202 0.000 1.933 229 A HA -0.223 4.098 4.320 0.001 0.000 0.218 229 A C 2.076 179.529 177.584 -0.219 0.000 1.175 229 A CA 1.857 53.765 52.037 -0.216 0.000 0.628 229 A CB -0.842 18.131 19.000 -0.046 0.000 0.814 229 A HN 0.451 nan 8.150 nan 0.000 0.444 230 E N -0.068 120.044 120.200 -0.146 0.000 2.072 230 E HA -0.089 4.262 4.350 0.001 0.000 0.191 230 E C 1.851 178.385 176.600 -0.111 0.000 0.985 230 E CA 1.513 57.868 56.400 -0.076 0.000 0.801 230 E CB -0.385 29.306 29.700 -0.014 0.000 0.750 230 E HN 0.255 nan 8.360 nan 0.000 0.452 231 V N 0.230 120.036 119.914 -0.180 0.000 2.270 231 V HA -0.226 3.895 4.120 0.001 0.000 0.245 231 V C 2.333 178.303 176.094 -0.207 0.000 1.043 231 V CA 1.875 64.098 62.300 -0.128 0.000 1.014 231 V CB -0.774 30.992 31.823 -0.094 0.000 0.645 231 V HN 0.237 nan 8.190 nan 0.000 0.447 232 S N -0.130 115.300 115.700 -0.450 0.000 2.365 232 S HA -0.290 4.181 4.470 0.001 0.000 0.225 232 S C 2.055 176.529 174.600 -0.211 0.000 1.039 232 S CA 1.818 59.785 58.200 -0.388 0.000 1.033 232 S CB -0.420 62.406 63.200 -0.623 0.000 0.887 232 S HN 0.496 nan 8.310 nan 0.000 0.447 233 K N 1.337 121.610 120.400 -0.212 0.000 2.044 233 K HA -0.092 4.229 4.320 0.001 0.000 0.210 233 K C 2.059 178.559 176.600 -0.167 0.000 1.049 233 K CA 1.362 57.539 56.287 -0.183 0.000 0.927 233 K CB -0.557 31.822 32.500 -0.202 0.000 0.713 233 K HN 0.360 nan 8.250 nan 0.000 0.443 234 L N 0.564 121.715 121.223 -0.120 0.000 2.046 234 L HA -0.178 4.163 4.340 0.001 0.000 0.208 234 L C 2.512 179.394 176.870 0.019 0.000 1.077 234 L CA 0.762 55.577 54.840 -0.043 0.000 0.747 234 L CB -0.329 41.758 42.059 0.046 0.000 0.896 234 L HN -0.059 nan 8.230 nan 0.000 0.432 235 V N -0.476 119.451 119.914 0.021 0.000 2.392 235 V HA -0.303 3.818 4.120 0.001 0.000 0.249 235 V C 2.482 178.629 176.094 0.090 0.000 1.059 235 V CA 2.343 64.689 62.300 0.076 0.000 1.051 235 V CB -0.903 30.949 31.823 0.049 0.000 0.658 235 V HN 0.552 nan 8.190 nan 0.000 0.455 236 T N -0.646 113.918 114.554 0.017 0.000 2.770 236 T HA -0.164 4.187 4.350 0.001 0.000 0.263 236 T C 1.595 176.302 174.700 0.013 0.000 1.039 236 T CA 1.548 63.657 62.100 0.015 0.000 1.142 236 T CB -0.410 68.441 68.868 -0.029 0.000 0.868 236 T HN 0.440 nan 8.240 nan 0.000 0.435 237 D N 1.083 121.470 120.400 -0.021 0.000 2.116 237 D HA -0.075 4.566 4.640 0.001 0.000 0.193 237 D C 1.918 178.236 176.300 0.030 0.000 0.998 237 D CA 0.659 54.646 54.000 -0.022 0.000 0.836 237 D CB -0.472 40.286 40.800 -0.070 0.000 0.951 237 D HN 0.114 nan 8.370 nan 0.000 0.449 238 L N 0.211 121.490 121.223 0.093 0.000 2.093 238 L HA -0.105 4.236 4.340 0.001 0.000 0.208 238 L C 2.127 179.131 176.870 0.223 0.000 1.085 238 L CA 1.583 56.532 54.840 0.183 0.000 0.755 238 L CB -0.652 41.574 42.059 0.278 0.000 0.904 238 L HN -0.004 nan 8.230 nan 0.000 0.435 239 T N -0.795 113.887 114.554 0.213 0.000 2.821 239 T HA -0.221 4.130 4.350 0.001 0.000 0.267 239 T C 1.868 176.492 174.700 -0.126 0.000 1.046 239 T CA 1.629 63.749 62.100 0.033 0.000 1.139 239 T CB -0.110 68.840 68.868 0.136 0.000 0.871 239 T HN 0.313 nan 8.240 nan 0.000 0.454 240 K N 0.796 121.171 120.400 -0.041 0.000 2.026 240 K HA -0.089 4.232 4.320 0.001 0.000 0.208 240 K C 2.139 178.703 176.600 -0.060 0.000 1.048 240 K CA 1.149 57.406 56.287 -0.050 0.000 0.929 240 K CB -0.371 32.113 32.500 -0.025 0.000 0.713 240 K HN 0.109 nan 8.250 nan 0.000 0.439 241 V N 1.055 120.933 119.914 -0.059 0.000 2.237 241 V HA -0.257 3.864 4.120 0.001 0.000 0.245 241 V C 2.294 178.311 176.094 -0.128 0.000 1.046 241 V CA 1.941 64.190 62.300 -0.084 0.000 1.007 241 V CB -0.676 31.078 31.823 -0.115 0.000 0.638 241 V HN 0.470 nan 8.190 nan 0.000 0.445 242 H N -0.361 118.634 119.070 -0.124 0.000 2.521 242 H HA -0.052 4.505 4.556 0.001 0.000 0.286 242 H C 2.385 177.569 175.328 -0.240 0.000 1.034 242 H CA 1.602 57.511 56.048 -0.231 0.000 1.278 242 H CB -0.140 29.405 29.762 -0.362 0.000 1.386 242 H HN 0.408 nan 8.280 nan 0.000 0.567 243 T N 0.294 114.763 114.554 -0.142 0.000 2.896 243 T HA -0.065 4.286 4.350 0.001 0.000 0.263 243 T C 1.858 176.579 174.700 0.036 0.000 1.050 243 T CA 0.802 62.847 62.100 -0.092 0.000 1.140 243 T CB 0.175 68.968 68.868 -0.124 0.000 0.877 243 T HN 0.477 nan 8.240 nan 0.000 0.457 244 E N 0.185 120.406 120.200 0.036 0.000 2.077 244 E HA -0.100 4.251 4.350 0.001 0.000 0.193 244 E C 2.400 179.105 176.600 0.174 0.000 0.989 244 E CA 0.946 57.407 56.400 0.101 0.000 0.800 244 E CB -0.213 29.523 29.700 0.061 0.000 0.746 244 E HN 0.392 nan 8.360 nan 0.000 0.452 245 c N 0.126 118.820 118.600 0.158 0.000 2.446 245 c HA -0.112 4.458 4.570 0.001 0.000 0.277 245 c C 2.768 177.010 174.090 0.254 0.000 1.275 245 c CA 0.341 56.807 56.329 0.228 0.000 1.727 245 c CB -0.609 42.077 42.510 0.293 0.000 2.010 245 c HN 0.602 nan 8.230 nan 0.000 0.486 246 c N -1.361 117.368 118.600 0.214 0.000 2.456 246 c HA -0.070 4.501 4.570 0.001 0.000 0.279 246 c C 2.171 176.428 174.090 0.279 0.000 1.427 246 c CA 0.582 57.053 56.329 0.237 0.000 1.778 246 c CB -1.868 40.715 42.510 0.122 0.000 1.842 246 c HN 0.679 nan 8.230 nan 0.000 0.531 247 H N -0.110 119.069 119.070 0.181 0.000 2.519 247 H HA 0.193 4.750 4.556 0.002 0.000 0.289 247 H C 1.702 177.215 175.328 0.308 0.000 1.040 247 H CA 0.741 56.913 56.048 0.206 0.000 1.165 247 H CB -0.216 29.649 29.762 0.172 0.000 1.462 247 H HN 0.501 nan 8.280 nan 0.000 0.555 248 G N 1.660 110.672 108.800 0.353 0.000 2.155 248 G HA2 -0.240 3.721 3.960 0.001 0.000 0.257 248 G HA3 -0.240 3.721 3.960 0.001 0.000 0.257 248 G C -0.090 175.042 174.900 0.387 0.000 0.983 248 G CA 0.443 45.806 45.100 0.438 0.000 0.676 248 G HN 0.466 nan 8.290 nan 0.000 0.528 249 D N 0.909 121.500 120.400 0.318 0.000 2.741 249 D HA 0.326 4.967 4.640 0.001 0.000 0.233 249 D C 2.044 178.422 176.300 0.129 0.000 1.160 249 D CA -0.299 53.800 54.000 0.164 0.000 1.003 249 D CB 0.042 40.917 40.800 0.124 0.000 1.064 249 D HN 0.375 nan 8.370 nan 0.000 0.503 250 L N -0.316 120.985 121.223 0.130 0.000 2.156 250 L HA -0.086 4.255 4.340 0.001 0.000 0.208 250 L C 2.251 179.146 176.870 0.042 0.000 1.095 250 L CA 0.637 55.532 54.840 0.091 0.000 0.770 250 L CB -0.183 41.907 42.059 0.053 0.000 0.914 250 L HN 0.235 nan 8.230 nan 0.000 0.439 251 L N 0.020 121.262 121.223 0.032 0.000 2.027 251 L HA -0.160 4.181 4.340 0.001 0.000 0.206 251 L C 2.922 179.813 176.870 0.035 0.000 1.074 251 L CA 1.167 56.018 54.840 0.018 0.000 0.745 251 L CB -0.539 41.547 42.059 0.044 0.000 0.898 251 L HN 0.374 nan 8.230 nan 0.000 0.433 252 E N -0.289 119.936 120.200 0.041 0.000 2.107 252 E HA -0.233 4.118 4.350 0.001 0.000 0.191 252 E C 2.346 178.970 176.600 0.040 0.000 0.982 252 E CA 1.350 57.776 56.400 0.044 0.000 0.809 252 E CB -1.173 28.552 29.700 0.041 0.000 0.756 252 E HN 0.502 nan 8.360 nan 0.000 0.459 253 c N 2.001 120.631 118.600 0.050 0.000 2.367 253 c HA -0.150 4.421 4.570 0.001 0.000 0.276 253 c C 3.110 177.224 174.090 0.040 0.000 1.195 253 c CA 2.294 58.658 56.329 0.059 0.000 1.756 253 c CB -1.198 41.379 42.510 0.111 0.000 2.046 253 c HN 0.589 nan 8.230 nan 0.000 0.453 254 A N -0.134 122.700 122.820 0.025 0.000 1.873 254 A HA -0.256 4.065 4.320 0.001 0.000 0.218 254 A C 1.987 179.567 177.584 -0.006 0.000 1.193 254 A CA 2.629 54.659 52.037 -0.011 0.000 0.629 254 A CB -1.183 17.803 19.000 -0.024 0.000 0.826 254 A HN 0.739 nan 8.150 nan 0.000 0.447 255 D N -0.314 120.089 120.400 0.004 0.000 2.084 255 D HA -0.145 4.496 4.640 0.001 0.000 0.194 255 D C 1.429 177.736 176.300 0.012 0.000 0.990 255 D CA 1.537 55.538 54.000 0.001 0.000 0.826 255 D CB -0.311 40.488 40.800 -0.003 0.000 0.971 255 D HN 0.373 nan 8.370 nan 0.000 0.453 256 D N -0.133 120.280 120.400 0.021 0.000 2.123 256 D HA -0.160 4.481 4.640 0.001 0.000 0.196 256 D C 2.089 178.400 176.300 0.018 0.000 0.992 256 D CA 0.545 54.557 54.000 0.021 0.000 0.833 256 D CB -0.277 40.534 40.800 0.017 0.000 0.954 256 D HN 0.239 nan 8.370 nan 0.000 0.455 257 R N 0.698 121.208 120.500 0.015 0.000 2.091 257 R HA -0.142 4.199 4.340 0.001 0.000 0.238 257 R C 2.046 178.357 176.300 0.019 0.000 1.136 257 R CA 1.448 57.560 56.100 0.020 0.000 0.959 257 R CB -0.166 30.144 30.300 0.017 0.000 0.856 257 R HN 0.116 nan 8.270 nan 0.000 0.437 258 A N 1.111 123.935 122.820 0.008 0.000 1.930 258 A HA -0.153 4.168 4.320 0.001 0.000 0.217 258 A C 1.537 179.137 177.584 0.026 0.000 1.175 258 A CA 1.723 53.765 52.037 0.009 0.000 0.627 258 A CB -0.338 18.661 19.000 -0.001 0.000 0.815 258 A HN 0.353 nan 8.150 nan 0.000 0.443 259 D N -0.424 119.995 120.400 0.031 0.000 2.218 259 D HA -0.109 4.532 4.640 0.001 0.000 0.204 259 D C 1.725 178.068 176.300 0.072 0.000 0.976 259 D CA 0.966 54.994 54.000 0.048 0.000 0.853 259 D CB -0.286 40.539 40.800 0.041 0.000 0.939 259 D HN 0.390 nan 8.370 nan 0.000 0.481 260 L N 0.819 122.079 121.223 0.062 0.000 2.095 260 L HA 0.096 4.437 4.340 0.001 0.000 0.204 260 L C 2.096 179.034 176.870 0.113 0.000 1.080 260 L CA 1.367 56.258 54.840 0.084 0.000 0.759 260 L CB -0.849 41.247 42.059 0.062 0.000 0.914 260 L HN -0.039 nan 8.230 nan 0.000 0.439 261 A N -0.446 122.419 122.820 0.075 0.000 1.883 261 A HA -0.264 4.057 4.320 0.001 0.000 0.217 261 A C 2.434 180.049 177.584 0.052 0.000 1.186 261 A CA 2.010 54.081 52.037 0.057 0.000 0.624 261 A CB -0.664 18.353 19.000 0.028 0.000 0.822 261 A HN 0.464 nan 8.150 nan 0.000 0.444 262 K N -1.656 118.777 120.400 0.055 0.000 2.034 262 K HA -0.251 4.070 4.320 0.001 0.000 0.214 262 K C 1.979 178.610 176.600 0.052 0.000 1.051 262 K CA 2.234 58.548 56.287 0.045 0.000 0.931 262 K CB -0.444 32.087 32.500 0.051 0.000 0.715 262 K HN 0.621 nan 8.250 nan 0.000 0.446 263 Y N 1.245 121.535 120.300 -0.016 0.000 2.181 263 Y HA -0.199 4.353 4.550 0.002 0.000 0.288 263 Y C 1.917 177.790 175.900 -0.044 0.000 1.146 263 Y CA 1.515 59.599 58.100 -0.026 0.000 1.164 263 Y CB -0.198 38.248 38.460 -0.024 0.000 0.982 263 Y HN 0.032 nan 8.280 nan 0.000 0.515 264 I N -0.718 119.883 120.570 0.052 0.000 2.118 264 I HA -0.431 3.740 4.170 0.001 0.000 0.241 264 I C 2.468 178.481 176.117 -0.174 0.000 1.070 264 I CA 1.653 62.911 61.300 -0.070 0.000 1.327 264 I CB -0.663 37.351 38.000 0.023 0.000 1.034 264 I HN 0.351 nan 8.210 nan 0.000 0.405 265 c N 0.360 118.898 118.600 -0.103 0.000 2.457 265 c HA -0.093 4.478 4.570 0.001 0.000 0.278 265 c C 2.616 176.630 174.090 -0.127 0.000 1.309 265 c CA 0.551 56.824 56.329 -0.092 0.000 1.735 265 c CB -1.082 41.401 42.510 -0.044 0.000 1.992 265 c HN 0.496 nan 8.230 nan 0.000 0.493 266 E N 1.170 121.273 120.200 -0.161 0.000 2.072 266 E HA -0.131 4.220 4.350 0.001 0.000 0.191 266 E C 0.521 176.978 176.600 -0.239 0.000 0.985 266 E CA 1.032 57.329 56.400 -0.172 0.000 0.801 266 E CB -0.192 29.411 29.700 -0.162 0.000 0.750 266 E HN 0.656 nan 8.360 nan 0.000 0.452 267 N N 0.753 119.212 118.700 -0.403 0.000 2.714 267 N HA 0.039 4.780 4.740 0.001 0.000 0.298 267 N C 0.476 175.804 175.510 -0.304 0.000 1.298 267 N CA -0.010 52.780 53.050 -0.433 0.000 1.007 267 N CB 0.577 38.558 38.487 -0.843 0.000 1.318 267 N HN 0.115 nan 8.380 nan 0.000 0.516 268 Q N 0.061 119.737 119.800 -0.205 0.000 2.137 268 Q HA -0.070 4.271 4.340 0.001 0.000 0.198 268 Q C 0.398 176.328 176.000 -0.117 0.000 0.960 268 Q CA 1.316 57.026 55.803 -0.154 0.000 0.847 268 Q CB 0.225 28.901 28.738 -0.103 0.000 0.915 268 Q HN 0.334 nan 8.270 nan 0.000 0.448 269 D N -0.645 119.698 120.400 -0.096 0.000 2.263 269 D HA -0.080 4.561 4.640 0.001 0.000 0.208 269 D C 1.258 177.522 176.300 -0.059 0.000 0.971 269 D CA 1.019 54.981 54.000 -0.063 0.000 0.867 269 D CB 0.192 40.961 40.800 -0.051 0.000 0.929 269 D HN 0.069 nan 8.370 nan 0.000 0.492 270 S N -0.963 114.685 115.700 -0.087 0.000 2.548 270 S HA 0.212 4.683 4.470 0.001 0.000 0.215 270 S C 1.470 176.021 174.600 -0.081 0.000 0.976 270 S CA 0.035 58.196 58.200 -0.066 0.000 0.908 270 S CB 0.587 63.748 63.200 -0.065 0.000 0.781 270 S HN 0.232 nan 8.310 nan 0.000 0.519 271 I N -1.109 119.375 120.570 -0.144 0.000 3.632 271 I HA 0.258 4.429 4.170 0.001 0.000 0.246 271 I C 0.598 176.633 176.117 -0.137 0.000 1.125 271 I CA 0.131 61.273 61.300 -0.264 0.000 1.519 271 I CB 0.554 38.235 38.000 -0.532 0.000 1.555 271 I HN 0.096 nan 8.210 nan 0.000 0.452 272 S N -0.855 114.791 115.700 -0.090 0.000 2.552 272 S HA 0.208 4.679 4.470 0.001 0.000 0.272 272 S C 0.306 174.930 174.600 0.040 0.000 1.150 272 S CA -0.022 58.218 58.200 0.065 0.000 0.849 272 S CB 1.417 64.786 63.200 0.281 0.000 1.113 272 S HN 0.268 nan 8.310 nan 0.000 0.458 273 S N 1.915 117.651 115.700 0.059 0.000 2.528 273 S HA 0.191 4.662 4.470 0.001 0.000 0.219 273 S C 0.592 175.217 174.600 0.042 0.000 0.985 273 S CA 0.079 58.300 58.200 0.035 0.000 0.914 273 S CB -0.163 63.055 63.200 0.029 0.000 0.776 273 S HN 0.578 nan 8.310 nan 0.000 0.526 274 K N 1.216 121.658 120.400 0.069 0.000 2.684 274 K HA 0.378 4.699 4.320 0.001 0.000 0.215 274 K C 0.177 176.818 176.600 0.069 0.000 1.073 274 K CA 0.013 56.338 56.287 0.064 0.000 1.197 274 K CB 0.074 32.615 32.500 0.069 0.000 0.955 274 K HN 0.449 nan 8.250 nan 0.000 0.473 275 L N 0.257 121.512 121.223 0.055 0.000 2.966 275 L HA 0.100 4.440 4.340 0.001 0.000 0.262 275 L C 1.807 178.690 176.870 0.023 0.000 1.165 275 L CA -0.026 54.842 54.840 0.048 0.000 0.978 275 L CB 0.263 42.345 42.059 0.037 0.000 1.337 275 L HN 0.095 nan 8.230 nan 0.000 0.563 276 K N 0.279 120.690 120.400 0.018 0.000 2.097 276 K HA -0.126 4.194 4.320 0.001 0.000 0.205 276 K C 1.342 177.950 176.600 0.014 0.000 1.050 276 K CA 1.241 57.534 56.287 0.010 0.000 0.938 276 K CB -0.013 32.492 32.500 0.008 0.000 0.718 276 K HN 0.295 nan 8.250 nan 0.000 0.442 277 E N 0.764 120.977 120.200 0.022 0.000 2.046 277 E HA -0.095 4.255 4.350 0.001 0.000 0.190 277 E C 2.230 178.846 176.600 0.027 0.000 0.982 277 E CA 1.319 57.734 56.400 0.026 0.000 0.800 277 E CB -0.162 29.557 29.700 0.031 0.000 0.756 277 E HN 0.371 nan 8.360 nan 0.000 0.449 278 c N 0.502 119.118 118.600 0.028 0.000 2.422 278 c HA -0.130 4.441 4.570 0.001 0.000 0.279 278 c C 2.640 176.739 174.090 0.015 0.000 1.305 278 c CA 0.204 56.547 56.329 0.023 0.000 1.757 278 c CB -0.788 41.738 42.510 0.026 0.000 1.962 278 c HN 0.549 nan 8.230 nan 0.000 0.499 279 c N 0.706 119.313 118.600 0.012 0.000 2.576 279 c HA 0.023 4.594 4.570 0.001 0.000 0.267 279 c C 1.760 175.852 174.090 0.004 0.000 1.364 279 c CA 0.489 56.819 56.329 0.003 0.000 1.723 279 c CB -1.804 40.702 42.510 -0.007 0.000 1.778 279 c HN 0.623 nan 8.230 nan 0.000 0.572 280 E N 0.405 120.611 120.200 0.011 0.000 2.499 280 E HA 0.103 4.454 4.350 0.001 0.000 0.199 280 E C 0.231 176.842 176.600 0.019 0.000 1.016 280 E CA 0.113 56.521 56.400 0.013 0.000 0.933 280 E CB 0.400 30.108 29.700 0.014 0.000 1.050 280 E HN 0.622 nan 8.360 nan 0.000 0.462 281 K N 1.326 121.737 120.400 0.019 0.000 2.185 281 K HA 0.405 4.726 4.320 0.001 0.000 0.240 281 K C -2.620 173.995 176.600 0.025 0.000 0.983 281 K CA -2.219 54.084 56.287 0.028 0.000 0.873 281 K CB 0.921 33.439 32.500 0.031 0.000 1.118 281 K HN -0.193 nan 8.250 nan 0.000 0.441 282 P HA -0.110 nan 4.420 nan 0.000 0.264 282 P C 0.753 178.068 177.300 0.024 0.000 1.179 282 P CA -0.087 63.035 63.100 0.037 0.000 0.763 282 P CB 0.362 32.099 31.700 0.062 0.000 0.806 283 L N 4.071 125.304 121.223 0.016 0.000 2.034 283 L HA -0.233 4.108 4.340 0.001 0.000 0.217 283 L C 1.884 178.747 176.870 -0.013 0.000 1.077 283 L CA 1.955 56.796 54.840 0.002 0.000 0.769 283 L CB -1.132 40.929 42.059 0.003 0.000 0.890 283 L HN 0.401 nan 8.230 nan 0.000 0.435 284 L N -1.319 119.911 121.223 0.011 0.000 2.109 284 L HA -0.161 4.179 4.340 0.001 0.000 0.207 284 L C 2.455 179.248 176.870 -0.128 0.000 1.086 284 L CA 0.941 55.782 54.840 0.002 0.000 0.760 284 L CB -0.430 41.702 42.059 0.122 0.000 0.910 284 L HN 0.222 nan 8.230 nan 0.000 0.437 285 E N 0.073 120.244 120.200 -0.048 0.000 2.106 285 E HA -0.208 4.143 4.350 0.001 0.000 0.192 285 E C 2.029 178.505 176.600 -0.205 0.000 0.984 285 E CA 0.882 57.176 56.400 -0.176 0.000 0.806 285 E CB -0.044 29.708 29.700 0.087 0.000 0.750 285 E HN 0.217 nan 8.360 nan 0.000 0.458 286 K N -0.028 120.315 120.400 -0.095 0.000 2.015 286 K HA -0.155 4.165 4.320 0.001 0.000 0.216 286 K C 2.104 178.660 176.600 -0.073 0.000 1.052 286 K CA 1.836 58.090 56.287 -0.056 0.000 0.937 286 K CB -0.152 32.332 32.500 -0.027 0.000 0.719 286 K HN -0.001 nan 8.250 nan 0.000 0.446 287 S N -0.987 114.654 115.700 -0.098 0.000 2.436 287 S HA -0.101 4.370 4.470 0.001 0.000 0.228 287 S C 1.584 176.118 174.600 -0.111 0.000 1.014 287 S CA 0.899 59.058 58.200 -0.069 0.000 0.950 287 S CB -0.269 62.902 63.200 -0.048 0.000 0.784 287 S HN 0.455 nan 8.310 nan 0.000 0.504 288 H N 0.044 118.894 119.070 -0.366 0.000 2.389 288 H HA -0.043 4.514 4.556 0.001 0.000 0.299 288 H C 2.325 177.525 175.328 -0.213 0.000 1.081 288 H CA 1.784 57.582 56.048 -0.416 0.000 1.345 288 H CB -0.498 28.641 29.762 -1.038 0.000 1.393 288 H HN 0.426 nan 8.280 nan 0.000 0.520 289 c N -0.430 118.076 118.600 -0.156 0.000 2.500 289 c HA 0.043 4.614 4.570 0.001 0.000 0.279 289 c C 2.679 176.732 174.090 -0.062 0.000 1.288 289 c CA 0.655 56.938 56.329 -0.077 0.000 1.710 289 c CB -1.220 41.289 42.510 -0.002 0.000 2.052 289 c HN 0.684 nan 8.230 nan 0.000 0.488 290 I N 1.855 122.409 120.570 -0.028 0.000 2.226 290 I HA -0.139 4.032 4.170 0.001 0.000 0.245 290 I C 2.878 179.015 176.117 0.032 0.000 1.100 290 I CA 1.577 62.901 61.300 0.040 0.000 1.374 290 I CB -0.578 37.467 38.000 0.076 0.000 1.057 290 I HN 0.392 nan 8.210 nan 0.000 0.413 291 A N 0.255 123.065 122.820 -0.017 0.000 1.948 291 A HA -0.227 4.093 4.320 0.001 0.000 0.220 291 A C 2.052 179.593 177.584 -0.070 0.000 1.177 291 A CA 1.844 53.867 52.037 -0.024 0.000 0.636 291 A CB -0.485 18.494 19.000 -0.036 0.000 0.815 291 A HN 0.525 nan 8.150 nan 0.000 0.449 292 E N -0.826 119.299 120.200 -0.125 0.000 2.501 292 E HA 0.230 4.581 4.350 0.001 0.000 0.200 292 E C -0.001 176.566 176.600 -0.054 0.000 1.016 292 E CA -0.427 55.909 56.400 -0.107 0.000 0.921 292 E CB 0.443 30.041 29.700 -0.170 0.000 1.034 292 E HN 0.336 nan 8.360 nan 0.000 0.468 293 V N 2.562 122.454 119.914 -0.037 0.000 3.287 293 V HA -0.069 4.052 4.120 0.001 0.000 0.306 293 V C 0.382 176.456 176.094 -0.032 0.000 1.103 293 V CA 0.049 62.343 62.300 -0.010 0.000 1.159 293 V CB 0.897 32.742 31.823 0.036 0.000 1.036 293 V HN 0.269 nan 8.190 nan 0.000 0.487 294 E N 3.837 124.028 120.200 -0.015 0.000 2.349 294 E HA 0.254 4.604 4.350 0.001 0.000 0.262 294 E C -0.438 176.132 176.600 -0.050 0.000 1.088 294 E CA -0.815 55.566 56.400 -0.030 0.000 0.899 294 E CB 0.326 30.019 29.700 -0.011 0.000 1.044 294 E HN 0.660 nan 8.360 nan 0.000 0.420 295 N N 1.534 120.192 118.700 -0.070 0.000 2.441 295 N HA 0.002 4.743 4.740 0.001 0.000 0.251 295 N C -0.618 174.875 175.510 -0.030 0.000 1.242 295 N CA 0.048 53.050 53.050 -0.080 0.000 0.898 295 N CB 0.343 38.781 38.487 -0.083 0.000 1.100 295 N HN 0.526 nan 8.380 nan 0.000 0.443 296 D N 0.475 120.874 120.400 -0.002 0.000 2.348 296 D HA 0.093 4.733 4.640 0.001 0.000 0.249 296 D C -0.291 176.013 176.300 0.007 0.000 1.110 296 D CA -0.313 53.707 54.000 0.034 0.000 0.967 296 D CB 0.711 41.569 40.800 0.098 0.000 1.139 296 D HN 0.208 nan 8.370 nan 0.000 0.466 297 E N 0.982 121.186 120.200 0.008 0.000 2.415 297 E HA -0.002 4.349 4.350 0.001 0.000 0.262 297 E C 0.104 176.696 176.600 -0.013 0.000 1.038 297 E CA 0.136 56.531 56.400 -0.009 0.000 0.921 297 E CB 0.412 30.109 29.700 -0.006 0.000 0.950 297 E HN 0.462 nan 8.360 nan 0.000 0.438 298 M N 3.282 122.860 119.600 -0.036 0.000 2.211 298 M HA 0.200 4.680 4.480 0.001 0.000 0.356 298 M C -2.166 174.109 176.300 -0.043 0.000 1.216 298 M CA -1.654 53.615 55.300 -0.052 0.000 1.134 298 M CB 0.798 33.346 32.600 -0.088 0.000 1.564 298 M HN 0.050 nan 8.290 nan 0.000 0.463 299 P HA 0.038 nan 4.420 nan 0.000 0.265 299 P C -0.553 176.719 177.300 -0.048 0.000 1.193 299 P CA 0.050 63.131 63.100 -0.031 0.000 0.765 299 P CB 0.634 32.320 31.700 -0.022 0.000 0.823 300 A N 2.943 125.740 122.820 -0.038 0.000 1.825 300 A HA -0.115 4.206 4.320 0.001 0.000 0.214 300 A C 1.175 178.728 177.584 -0.052 0.000 1.206 300 A CA 1.399 53.410 52.037 -0.044 0.000 0.609 300 A CB -0.941 18.040 19.000 -0.032 0.000 0.851 300 A HN 0.500 nan 8.150 nan 0.000 0.445 301 D N 0.543 120.918 120.400 -0.042 0.000 2.631 301 D HA 0.411 5.052 4.640 0.001 0.000 0.227 301 D C -0.788 175.481 176.300 -0.051 0.000 1.146 301 D CA 0.011 53.985 54.000 -0.044 0.000 1.009 301 D CB -0.499 40.281 40.800 -0.033 0.000 1.057 301 D HN 0.231 nan 8.370 nan 0.000 0.509 302 L N 3.425 124.606 121.223 -0.071 0.000 2.305 302 L HA 0.386 4.727 4.340 0.001 0.000 0.281 302 L C -1.197 175.621 176.870 -0.087 0.000 1.085 302 L CA -1.485 53.304 54.840 -0.086 0.000 0.813 302 L CB 0.784 42.770 42.059 -0.122 0.000 1.157 302 L HN 0.203 nan 8.230 nan 0.000 0.436 303 P HA 0.046 nan 4.420 nan 0.000 0.288 303 P C -0.349 176.900 177.300 -0.086 0.000 1.291 303 P CA -0.530 62.526 63.100 -0.074 0.000 0.766 303 P CB 0.516 32.174 31.700 -0.069 0.000 1.242 304 S N -1.459 114.195 115.700 -0.077 0.000 2.592 304 S HA 0.163 4.634 4.470 0.001 0.000 0.271 304 S C 1.544 176.103 174.600 -0.069 0.000 1.326 304 S CA -0.658 57.496 58.200 -0.076 0.000 1.024 304 S CB -0.314 62.841 63.200 -0.075 0.000 0.921 304 S HN 0.317 nan 8.310 nan 0.000 0.527 305 L N 4.006 125.214 121.223 -0.023 0.000 2.005 305 L HA -0.048 4.292 4.340 0.001 0.000 0.207 305 L C 2.920 179.822 176.870 0.053 0.000 1.072 305 L CA 1.494 56.395 54.840 0.103 0.000 0.744 305 L CB -1.164 41.105 42.059 0.350 0.000 0.895 305 L HN 0.898 nan 8.230 nan 0.000 0.433 306 A N 0.556 123.306 122.820 -0.118 0.000 1.916 306 A HA -0.437 3.884 4.320 0.001 0.000 0.224 306 A C 2.505 180.042 177.584 -0.078 0.000 1.366 306 A CA 3.136 55.036 52.037 -0.229 0.000 0.692 306 A CB -1.359 17.461 19.000 -0.300 0.000 0.841 306 A HN 0.502 nan 8.150 nan 0.000 0.480 307 A N -0.479 122.286 122.820 -0.092 0.000 1.899 307 A HA -0.397 3.924 4.320 0.001 0.000 0.230 307 A C 1.641 179.159 177.584 -0.111 0.000 1.593 307 A CA 2.877 54.862 52.037 -0.087 0.000 0.728 307 A CB -1.250 17.690 19.000 -0.100 0.000 0.848 307 A HN 0.647 nan 8.150 nan 0.000 0.490 308 D N -2.619 117.614 120.400 -0.278 0.000 2.346 308 D HA 0.190 4.831 4.640 0.001 0.000 0.206 308 D C 0.741 176.758 176.300 -0.471 0.000 1.001 308 D CA 0.622 54.326 54.000 -0.492 0.000 0.871 308 D CB 0.057 40.329 40.800 -0.881 0.000 0.943 308 D HN 0.499 nan 8.370 nan 0.000 0.518 309 F N -1.013 119.073 119.950 0.226 0.000 2.746 309 F HA 0.301 4.829 4.527 0.001 0.000 0.320 309 F C 1.295 177.260 175.800 0.275 0.000 1.097 309 F CA -0.157 58.038 58.000 0.325 0.000 1.195 309 F CB 0.495 39.683 39.000 0.314 0.000 1.056 309 F HN -0.181 nan 8.300 nan 0.000 0.562 310 V N -1.132 118.959 119.914 0.296 0.000 3.658 310 V HA 0.036 4.157 4.120 0.001 0.000 0.197 310 V C 1.806 178.087 176.094 0.313 0.000 1.295 310 V CA 0.347 62.817 62.300 0.284 0.000 1.298 310 V CB 0.004 31.909 31.823 0.136 0.000 1.347 310 V HN -0.040 nan 8.190 nan 0.000 0.548 311 E N 0.791 121.084 120.200 0.155 0.000 2.077 311 E HA -0.104 4.247 4.350 0.001 0.000 0.193 311 E C 1.262 177.946 176.600 0.139 0.000 0.989 311 E CA 1.156 57.627 56.400 0.117 0.000 0.800 311 E CB -0.076 29.641 29.700 0.029 0.000 0.746 311 E HN 0.413 nan 8.360 nan 0.000 0.452 312 S N 0.731 116.509 115.700 0.129 0.000 2.559 312 S HA -0.082 4.389 4.470 0.001 0.000 0.282 312 S C 0.695 175.443 174.600 0.247 0.000 1.336 312 S CA 0.227 58.506 58.200 0.131 0.000 1.037 312 S CB 0.434 63.692 63.200 0.097 0.000 0.853 312 S HN 0.273 nan 8.310 nan 0.000 0.523 313 K N 1.278 121.799 120.400 0.203 0.000 2.506 313 K HA 0.350 4.671 4.320 0.001 0.000 0.204 313 K C -0.809 175.940 176.600 0.249 0.000 1.045 313 K CA -0.287 56.206 56.287 0.344 0.000 1.074 313 K CB 0.155 32.727 32.500 0.120 0.000 0.842 313 K HN 0.397 nan 8.250 nan 0.000 0.514 314 D N 0.795 121.290 120.400 0.159 0.000 2.696 314 D HA 0.080 4.721 4.640 0.001 0.000 0.269 314 D C 0.881 177.207 176.300 0.043 0.000 1.319 314 D CA -0.172 53.883 54.000 0.092 0.000 0.826 314 D CB 1.171 42.011 40.800 0.066 0.000 1.086 314 D HN -0.081 nan 8.370 nan 0.000 0.481 315 V N -0.335 119.617 119.914 0.063 0.000 2.283 315 V HA -0.259 3.862 4.120 0.001 0.000 0.243 315 V C 2.246 178.206 176.094 -0.224 0.000 1.039 315 V CA 1.388 63.649 62.300 -0.064 0.000 1.016 315 V CB -0.294 31.558 31.823 0.048 0.000 0.650 315 V HN 0.498 nan 8.190 nan 0.000 0.449 316 c N -0.051 118.510 118.600 -0.066 0.000 2.425 316 c HA -0.145 4.426 4.570 0.001 0.000 0.277 316 c C 2.750 176.826 174.090 -0.023 0.000 1.280 316 c CA 1.206 57.526 56.329 -0.014 0.000 1.744 316 c CB -0.976 41.547 42.510 0.022 0.000 1.989 316 c HN 0.648 nan 8.230 nan 0.000 0.491 317 K N 1.423 121.806 120.400 -0.029 0.000 2.009 317 K HA -0.187 4.134 4.320 0.001 0.000 0.210 317 K C 1.886 178.449 176.600 -0.062 0.000 1.049 317 K CA 1.896 58.168 56.287 -0.025 0.000 0.929 317 K CB -0.284 32.217 32.500 0.001 0.000 0.714 317 K HN 0.389 nan 8.250 nan 0.000 0.440 318 N N -0.447 118.176 118.700 -0.128 0.000 2.244 318 N HA -0.156 4.585 4.740 0.001 0.000 0.183 318 N C 1.675 177.016 175.510 -0.282 0.000 1.016 318 N CA 0.918 53.867 53.050 -0.168 0.000 0.866 318 N CB -0.230 38.165 38.487 -0.154 0.000 0.980 318 N HN 0.287 nan 8.380 nan 0.000 0.430 319 Y N 1.794 121.719 120.300 -0.626 0.000 2.163 319 Y HA -0.067 4.484 4.550 0.003 0.000 0.288 319 Y C 2.306 178.127 175.900 -0.131 0.000 1.136 319 Y CA 1.369 59.212 58.100 -0.428 0.000 1.147 319 Y CB -0.670 37.566 38.460 -0.373 0.000 0.987 319 Y HN 0.037 nan 8.280 nan 0.000 0.509 320 A N 0.141 122.870 122.820 -0.152 0.000 1.877 320 A HA -0.200 4.121 4.320 0.001 0.000 0.216 320 A C 2.138 179.651 177.584 -0.119 0.000 1.186 320 A CA 1.800 53.734 52.037 -0.171 0.000 0.620 320 A CB -0.831 18.125 19.000 -0.074 0.000 0.822 320 A HN 0.594 nan 8.150 nan 0.000 0.443 321 E N -0.844 119.318 120.200 -0.063 0.000 2.114 321 E HA -0.040 4.310 4.350 0.001 0.000 0.199 321 E C 0.510 177.110 176.600 -0.001 0.000 1.008 321 E CA 1.049 57.439 56.400 -0.017 0.000 0.810 321 E CB -0.143 29.565 29.700 0.014 0.000 0.739 321 E HN 0.583 nan 8.360 nan 0.000 0.456 322 A N 0.168 122.995 122.820 0.011 0.000 2.626 322 A HA 0.149 4.470 4.320 0.001 0.000 0.293 322 A C 0.422 178.061 177.584 0.092 0.000 1.111 322 A CA -0.638 51.429 52.037 0.051 0.000 0.874 322 A CB 0.640 19.707 19.000 0.111 0.000 1.451 322 A HN 0.134 nan 8.150 nan 0.000 0.396 323 K N 0.656 121.039 120.400 -0.029 0.000 2.062 323 K HA -0.089 4.232 4.320 0.001 0.000 0.205 323 K C 0.323 177.055 176.600 0.221 0.000 1.051 323 K CA 1.642 57.909 56.287 -0.034 0.000 0.941 323 K CB -0.008 32.227 32.500 -0.443 0.000 0.719 323 K HN 0.387 nan 8.250 nan 0.000 0.440 324 D N 1.114 121.608 120.400 0.158 0.000 2.183 324 D HA -0.067 4.574 4.640 0.001 0.000 0.203 324 D C 2.092 178.538 176.300 0.243 0.000 0.969 324 D CA 0.772 54.886 54.000 0.190 0.000 0.842 324 D CB 0.002 40.886 40.800 0.141 0.000 0.957 324 D HN 0.066 nan 8.370 nan 0.000 0.484 325 V N 0.765 120.831 119.914 0.255 0.000 2.307 325 V HA -0.213 3.908 4.120 0.001 0.000 0.245 325 V C 2.138 178.420 176.094 0.314 0.000 1.045 325 V CA 1.180 63.675 62.300 0.325 0.000 1.024 325 V CB -0.541 31.457 31.823 0.291 0.000 0.651 325 V HN 0.087 nan 8.190 nan 0.000 0.449 326 F N 0.455 120.521 119.950 0.193 0.000 2.102 326 F HA -0.131 4.397 4.527 0.002 0.000 0.298 326 F C 2.007 177.939 175.800 0.220 0.000 1.105 326 F CA 1.650 59.783 58.000 0.221 0.000 1.239 326 F CB -0.243 38.947 39.000 0.316 0.000 0.991 326 F HN 0.012 nan 8.300 nan 0.000 0.474 327 L N -0.471 120.911 121.223 0.266 0.000 2.217 327 L HA -0.042 4.299 4.340 0.001 0.000 0.211 327 L C 2.699 179.633 176.870 0.107 0.000 1.107 327 L CA 1.027 55.952 54.840 0.141 0.000 0.783 327 L CB -1.293 40.917 42.059 0.253 0.000 0.919 327 L HN 0.311 nan 8.230 nan 0.000 0.442 328 G N -0.580 108.319 108.800 0.164 0.000 2.394 328 G HA2 -0.266 3.695 3.960 0.001 0.000 0.215 328 G HA3 -0.266 3.695 3.960 0.001 0.000 0.215 328 G C 1.638 176.607 174.900 0.115 0.000 1.165 328 G CA 0.422 45.669 45.100 0.244 0.000 0.784 328 G HN 0.153 nan 8.290 nan 0.000 0.535 329 M N -0.442 118.958 119.600 -0.334 0.000 2.106 329 M HA -0.061 4.419 4.480 0.001 0.000 0.259 329 M C 2.209 178.354 176.300 -0.260 0.000 1.068 329 M CA 1.694 56.555 55.300 -0.731 0.000 1.100 329 M CB -0.225 32.023 32.600 -0.588 0.000 1.351 329 M HN 0.315 nan 8.290 nan 0.000 0.404 330 F N -0.017 119.580 119.950 -0.588 0.000 2.146 330 F HA -0.217 4.311 4.527 0.002 0.000 0.298 330 F C 1.724 177.242 175.800 -0.469 0.000 1.096 330 F CA 1.284 58.710 58.000 -0.956 0.000 1.275 330 F CB -0.273 37.926 39.000 -1.335 0.000 1.008 330 F HN 0.108 nan 8.300 nan 0.000 0.480 331 L N -0.068 121.023 121.223 -0.221 0.000 2.072 331 L HA -0.142 4.199 4.340 0.001 0.000 0.205 331 L C 2.255 179.053 176.870 -0.120 0.000 1.079 331 L CA 1.906 56.628 54.840 -0.196 0.000 0.752 331 L CB -1.657 40.404 42.059 0.005 0.000 0.906 331 L HN 0.405 nan 8.230 nan 0.000 0.436 332 Y N 0.755 121.009 120.300 -0.075 0.000 2.069 332 Y HA -0.288 4.263 4.550 0.002 0.000 0.278 332 Y C 2.367 178.218 175.900 -0.081 0.000 1.175 332 Y CA 2.363 60.474 58.100 0.019 0.000 1.134 332 Y CB -0.362 38.239 38.460 0.235 0.000 0.965 332 Y HN 0.313 nan 8.280 nan 0.000 0.498 333 E N -0.682 119.272 120.200 -0.409 0.000 2.017 333 E HA -0.253 4.098 4.350 0.001 0.000 0.193 333 E C 2.203 178.527 176.600 -0.458 0.000 0.997 333 E CA 1.693 57.788 56.400 -0.510 0.000 0.804 333 E CB -1.225 28.365 29.700 -0.184 0.000 0.757 333 E HN 0.613 nan 8.360 nan 0.000 0.448 334 Y N 1.379 121.286 120.300 -0.655 0.000 2.151 334 Y HA -0.260 4.291 4.550 0.001 0.000 0.284 334 Y C 2.357 178.009 175.900 -0.412 0.000 1.166 334 Y CA 1.471 59.197 58.100 -0.623 0.000 1.163 334 Y CB -0.489 37.342 38.460 -1.048 0.000 0.974 334 Y HN 0.059 nan 8.280 nan 0.000 0.511 335 A N 0.843 123.547 122.820 -0.193 0.000 1.858 335 A HA -0.225 4.096 4.320 0.001 0.000 0.216 335 A C 2.346 179.828 177.584 -0.170 0.000 1.190 335 A CA 1.968 53.918 52.037 -0.145 0.000 0.617 335 A CB -0.810 18.126 19.000 -0.107 0.000 0.827 335 A HN 0.572 nan 8.150 nan 0.000 0.443 336 R N -0.397 119.953 120.500 -0.250 0.000 2.159 336 R HA -0.100 4.240 4.340 0.001 0.000 0.237 336 R C 1.781 177.932 176.300 -0.249 0.000 1.131 336 R CA 1.707 57.664 56.100 -0.238 0.000 0.982 336 R CB -0.377 29.714 30.300 -0.348 0.000 0.868 336 R HN 0.472 nan 8.270 nan 0.000 0.453 337 R N -0.435 119.870 120.500 -0.325 0.000 2.246 337 R HA 0.111 4.452 4.340 0.001 0.000 0.199 337 R C 0.169 176.118 176.300 -0.584 0.000 0.984 337 R CA 0.461 56.297 56.100 -0.441 0.000 1.015 337 R CB 0.256 30.234 30.300 -0.537 0.000 0.930 337 R HN 0.338 nan 8.270 nan 0.000 0.475 338 H N 0.482 119.351 119.070 -0.335 0.000 2.423 338 H HA 0.162 4.719 4.556 0.001 0.000 0.237 338 H C -1.928 173.279 175.328 -0.202 0.000 1.391 338 H CA -1.817 54.007 56.048 -0.373 0.000 1.453 338 H CB 1.495 30.779 29.762 -0.796 0.000 1.484 338 H HN 0.029 nan 8.280 nan 0.000 0.505 339 P HA -0.094 nan 4.420 nan 0.000 0.233 339 P C 0.914 178.224 177.300 0.018 0.000 1.167 339 P CA 0.719 63.797 63.100 -0.038 0.000 0.770 339 P CB 0.390 32.049 31.700 -0.069 0.000 0.837 340 D N -2.010 118.442 120.400 0.086 0.000 2.347 340 D HA -0.123 4.518 4.640 0.001 0.000 0.215 340 D C 0.286 176.757 176.300 0.285 0.000 0.976 340 D CA 0.360 54.457 54.000 0.162 0.000 0.884 340 D CB -0.780 40.144 40.800 0.207 0.000 0.915 340 D HN 0.113 nan 8.370 nan 0.000 0.526 341 Y N 1.610 121.901 120.300 -0.015 0.000 2.320 341 Y HA 0.323 4.874 4.550 0.001 0.000 0.324 341 Y C 1.215 177.046 175.900 -0.114 0.000 1.190 341 Y CA -2.226 55.823 58.100 -0.085 0.000 1.215 341 Y CB 1.307 39.680 38.460 -0.145 0.000 1.221 341 Y HN -0.115 nan 8.280 nan 0.000 0.486 342 S N 0.353 116.030 115.700 -0.038 0.000 2.603 342 S HA 0.220 4.691 4.470 0.001 0.000 0.268 342 S C 0.812 175.306 174.600 -0.176 0.000 1.317 342 S CA -0.628 57.514 58.200 -0.097 0.000 1.012 342 S CB 0.898 64.026 63.200 -0.121 0.000 0.926 342 S HN 0.411 nan 8.310 nan 0.000 0.539 343 V N 2.071 121.823 119.914 -0.269 0.000 2.323 343 V HA -0.134 3.987 4.120 0.001 0.000 0.244 343 V C 2.639 178.344 176.094 -0.650 0.000 1.041 343 V CA 1.739 63.745 62.300 -0.490 0.000 1.025 343 V CB -1.217 30.180 31.823 -0.711 0.000 0.656 343 V HN 0.907 nan 8.190 nan 0.000 0.451 344 V N -0.957 118.563 119.914 -0.656 0.000 2.469 344 V HA -0.221 3.899 4.120 0.001 0.000 0.251 344 V C 2.359 178.242 176.094 -0.352 0.000 1.064 344 V CA 2.076 64.056 62.300 -0.533 0.000 1.066 344 V CB -0.964 30.647 31.823 -0.353 0.000 0.667 344 V HN 0.462 nan 8.190 nan 0.000 0.461 345 L N 0.282 121.324 121.223 -0.302 0.000 1.988 345 L HA 0.014 4.354 4.340 0.001 0.000 0.207 345 L C 2.353 179.035 176.870 -0.314 0.000 1.071 345 L CA 1.872 56.542 54.840 -0.282 0.000 0.744 345 L CB -0.771 41.108 42.059 -0.299 0.000 0.893 345 L HN 0.254 nan 8.230 nan 0.000 0.433 346 L N -0.907 120.142 121.223 -0.290 0.000 2.137 346 L HA -0.285 4.056 4.340 0.001 0.000 0.213 346 L C 2.546 179.213 176.870 -0.338 0.000 1.085 346 L CA 1.411 56.050 54.840 -0.336 0.000 0.760 346 L CB -0.613 41.285 42.059 -0.268 0.000 0.893 346 L HN 0.355 nan 8.230 nan 0.000 0.434 347 L N -1.086 119.937 121.223 -0.333 0.000 2.072 347 L HA -0.161 4.180 4.340 0.001 0.000 0.205 347 L C 2.809 179.554 176.870 -0.209 0.000 1.079 347 L CA 1.067 55.745 54.840 -0.270 0.000 0.752 347 L CB -0.366 41.494 42.059 -0.333 0.000 0.906 347 L HN 0.172 nan 8.230 nan 0.000 0.436 348 R N -0.044 120.322 120.500 -0.224 0.000 2.081 348 R HA -0.144 4.197 4.340 0.001 0.000 0.235 348 R C 2.277 178.477 176.300 -0.166 0.000 1.131 348 R CA 1.235 57.236 56.100 -0.166 0.000 0.960 348 R CB -0.397 29.808 30.300 -0.158 0.000 0.856 348 R HN 0.293 nan 8.270 nan 0.000 0.436 349 L N 0.042 121.079 121.223 -0.309 0.000 1.990 349 L HA -0.200 4.141 4.340 0.001 0.000 0.213 349 L C 2.628 179.369 176.870 -0.215 0.000 1.072 349 L CA 1.630 56.169 54.840 -0.501 0.000 0.755 349 L CB -0.827 40.572 42.059 -1.101 0.000 0.889 349 L HN 0.275 nan 8.230 nan 0.000 0.432 350 A N -0.147 122.596 122.820 -0.128 0.000 2.067 350 A HA -0.205 4.116 4.320 0.001 0.000 0.219 350 A C 2.281 179.860 177.584 -0.009 0.000 1.158 350 A CA 1.755 53.811 52.037 0.031 0.000 0.661 350 A CB -0.309 18.736 19.000 0.075 0.000 0.801 350 A HN 0.279 nan 8.150 nan 0.000 0.452 351 K N -0.180 120.202 120.400 -0.030 0.000 2.044 351 K HA -0.028 4.293 4.320 0.001 0.000 0.204 351 K C 1.816 178.411 176.600 -0.008 0.000 1.049 351 K CA 2.166 58.444 56.287 -0.016 0.000 0.945 351 K CB -0.889 31.593 32.500 -0.029 0.000 0.724 351 K HN 0.323 nan 8.250 nan 0.000 0.440 352 T N 0.117 114.683 114.554 0.019 0.000 2.833 352 T HA -0.139 4.212 4.350 0.001 0.000 0.269 352 T C 1.463 176.186 174.700 0.039 0.000 1.054 352 T CA 1.406 63.537 62.100 0.051 0.000 1.135 352 T CB -0.524 68.428 68.868 0.140 0.000 0.869 352 T HN 0.298 nan 8.240 nan 0.000 0.466 353 Y N 1.829 122.066 120.300 -0.105 0.000 2.242 353 Y HA -0.057 4.494 4.550 0.002 0.000 0.291 353 Y C 2.475 178.197 175.900 -0.295 0.000 1.137 353 Y CA 1.390 59.322 58.100 -0.281 0.000 1.181 353 Y CB -0.152 37.867 38.460 -0.736 0.000 0.989 353 Y HN 0.277 nan 8.280 nan 0.000 0.527 354 E N -0.499 119.562 120.200 -0.231 0.000 2.028 354 E HA -0.193 4.158 4.350 0.001 0.000 0.190 354 E C 2.078 178.565 176.600 -0.189 0.000 0.984 354 E CA 2.142 58.408 56.400 -0.223 0.000 0.800 354 E CB -0.259 29.430 29.700 -0.019 0.000 0.758 354 E HN 0.578 nan 8.360 nan 0.000 0.448 355 T N -1.229 113.263 114.554 -0.102 0.000 2.737 355 T HA -0.191 4.160 4.350 0.001 0.000 0.269 355 T C 1.971 176.610 174.700 -0.101 0.000 1.040 355 T CA 1.959 64.019 62.100 -0.068 0.000 1.142 355 T CB -0.940 67.906 68.868 -0.038 0.000 0.861 355 T HN 0.087 nan 8.240 nan 0.000 0.456 356 T N 2.223 116.681 114.554 -0.161 0.000 2.737 356 T HA 0.184 4.534 4.350 0.001 0.000 0.265 356 T C 1.930 176.500 174.700 -0.216 0.000 1.038 356 T CA 1.009 63.011 62.100 -0.165 0.000 1.144 356 T CB -0.446 68.319 68.868 -0.172 0.000 0.866 356 T HN 0.291 nan 8.240 nan 0.000 0.434 357 L N 0.922 121.889 121.223 -0.426 0.000 2.191 357 L HA -0.071 4.270 4.340 0.001 0.000 0.212 357 L C 2.818 179.542 176.870 -0.243 0.000 1.103 357 L CA 1.034 55.581 54.840 -0.488 0.000 0.769 357 L CB -0.505 40.952 42.059 -1.002 0.000 0.908 357 L HN 0.251 nan 8.230 nan 0.000 0.438 358 E N 0.422 120.548 120.200 -0.124 0.000 2.072 358 E HA -0.249 4.102 4.350 0.001 0.000 0.191 358 E C 2.040 178.639 176.600 -0.003 0.000 0.985 358 E CA 1.033 57.444 56.400 0.020 0.000 0.801 358 E CB -0.075 29.651 29.700 0.043 0.000 0.750 358 E HN 0.400 nan 8.360 nan 0.000 0.452 359 K N 0.100 120.482 120.400 -0.031 0.000 2.365 359 K HA -0.056 4.265 4.320 0.001 0.000 0.199 359 K C 1.669 178.257 176.600 -0.019 0.000 1.045 359 K CA 0.876 57.149 56.287 -0.022 0.000 0.962 359 K CB 0.129 32.612 32.500 -0.028 0.000 0.759 359 K HN 0.057 nan 8.250 nan 0.000 0.469 360 c N -1.155 117.435 118.600 -0.017 0.000 2.478 360 c HA 0.166 4.737 4.570 0.001 0.000 0.397 360 c C 2.246 176.331 174.090 -0.008 0.000 1.360 360 c CA -0.420 55.907 56.329 -0.005 0.000 2.191 360 c CB -0.297 42.255 42.510 0.071 0.000 2.654 360 c HN 0.590 nan 8.230 nan 0.000 0.548 361 c N 1.600 120.207 118.600 0.013 0.000 2.460 361 c HA 0.086 4.657 4.570 0.001 0.000 0.291 361 c C 2.450 176.546 174.090 0.010 0.000 1.493 361 c CA 1.420 57.760 56.329 0.018 0.000 1.748 361 c CB -1.894 40.647 42.510 0.052 0.000 1.656 361 c HN 0.720 nan 8.230 nan 0.000 0.576 362 A N -0.410 122.411 122.820 0.002 0.000 1.999 362 A HA 0.612 4.933 4.320 0.001 0.000 0.200 362 A C 1.369 178.944 177.584 -0.015 0.000 1.363 362 A CA 0.760 52.796 52.037 -0.001 0.000 0.844 362 A CB -0.660 18.344 19.000 0.006 0.000 0.954 362 A HN 0.454 nan 8.150 nan 0.000 0.481 363 A N -0.484 122.322 122.820 -0.023 0.000 2.325 363 A HA 0.551 4.872 4.320 0.001 0.000 0.260 363 A C 1.727 179.286 177.584 -0.041 0.000 1.133 363 A CA 0.426 52.446 52.037 -0.029 0.000 0.801 363 A CB -0.733 18.248 19.000 -0.031 0.000 1.092 363 A HN 1.700 nan 8.150 nan 0.000 0.504 364 A N -0.079 122.719 122.820 -0.036 0.000 2.831 364 A HA -0.223 4.098 4.320 0.001 0.000 0.235 364 A C 0.864 178.419 177.584 -0.047 0.000 1.043 364 A CA 2.407 54.423 52.037 -0.036 0.000 1.093 364 A CB -1.145 17.834 19.000 -0.035 0.000 0.585 364 A HN 0.930 nan 8.150 nan 0.000 0.469 365 D N -1.099 119.263 120.400 -0.064 0.000 2.392 365 D HA 0.500 5.141 4.640 0.001 0.000 0.228 365 D C -1.862 174.324 176.300 -0.190 0.000 1.074 365 D CA -2.153 51.803 54.000 -0.074 0.000 0.838 365 D CB 1.322 42.105 40.800 -0.028 0.000 1.067 365 D HN -0.053 nan 8.370 nan 0.000 0.511 366 P HA -0.170 nan 4.420 nan 0.000 0.214 366 P C 0.678 177.306 177.300 -1.119 0.000 1.163 366 P CA 1.562 64.338 63.100 -0.539 0.000 0.889 366 P CB 0.127 31.538 31.700 -0.481 0.000 0.790 367 H N -1.074 117.560 119.070 -0.727 0.000 2.421 367 H HA -0.086 4.471 4.556 0.002 0.000 0.298 367 H C 2.082 177.107 175.328 -0.505 0.000 1.087 367 H CA 1.252 56.839 56.048 -0.768 0.000 1.330 367 H CB -0.583 29.032 29.762 -0.244 0.000 1.388 367 H HN 0.290 nan 8.280 nan 0.000 0.526 368 E N 0.690 120.758 120.200 -0.219 0.000 2.051 368 E HA -0.188 4.163 4.350 0.001 0.000 0.192 368 E C 2.006 178.527 176.600 -0.132 0.000 0.991 368 E CA 1.686 58.012 56.400 -0.124 0.000 0.799 368 E CB 0.013 29.665 29.700 -0.081 0.000 0.748 368 E HN 0.648 nan 8.360 nan 0.000 0.449 369 c N 0.445 118.932 118.600 -0.188 0.000 2.544 369 c HA 0.017 4.588 4.570 0.001 0.000 0.280 369 c C 2.739 176.817 174.090 -0.019 0.000 1.295 369 c CA 0.296 56.568 56.329 -0.094 0.000 1.702 369 c CB -1.662 40.799 42.510 -0.081 0.000 2.090 369 c HN 0.604 nan 8.230 nan 0.000 0.493 370 Y N 2.698 122.988 120.300 -0.017 0.000 2.571 370 Y HA 0.429 4.980 4.550 0.001 0.000 0.294 370 Y C 2.205 178.142 175.900 0.061 0.000 1.141 370 Y CA -0.307 57.791 58.100 -0.003 0.000 1.308 370 Y CB -1.656 36.779 38.460 -0.042 0.000 1.002 370 Y HN 0.316 nan 8.280 nan 0.000 0.551 371 A N 1.541 124.506 122.820 0.242 0.000 1.997 371 A HA -0.260 4.061 4.320 0.001 0.000 0.221 371 A C 2.008 179.688 177.584 0.160 0.000 1.172 371 A CA 2.000 54.160 52.037 0.205 0.000 0.645 371 A CB -0.664 18.384 19.000 0.080 0.000 0.813 371 A HN 0.555 nan 8.150 nan 0.000 0.454 372 K N -0.418 120.052 120.400 0.117 0.000 2.476 372 K HA 0.260 4.581 4.320 0.001 0.000 0.196 372 K C 1.260 177.896 176.600 0.061 0.000 1.025 372 K CA 0.094 56.426 56.287 0.075 0.000 1.138 372 K CB 0.133 32.653 32.500 0.033 0.000 0.860 372 K HN 0.274 nan 8.250 nan 0.000 0.515 373 V N 0.463 120.457 119.914 0.133 0.000 2.261 373 V HA -0.242 3.879 4.120 0.001 0.000 0.246 373 V C 1.585 177.520 176.094 -0.265 0.000 1.047 373 V CA 1.796 64.106 62.300 0.018 0.000 1.015 373 V CB -0.372 31.582 31.823 0.218 0.000 0.642 373 V HN 0.279 nan 8.190 nan 0.000 0.446 374 F N 0.074 119.862 119.950 -0.269 0.000 2.365 374 F HA -0.093 4.435 4.527 0.001 0.000 0.300 374 F C 2.229 177.883 175.800 -0.243 0.000 1.090 374 F CA 1.208 59.025 58.000 -0.304 0.000 1.408 374 F CB -0.628 38.455 39.000 0.139 0.000 1.060 374 F HN 0.221 nan 8.300 nan 0.000 0.534 375 D N 0.446 120.857 120.400 0.017 0.000 2.144 375 D HA -0.163 4.478 4.640 0.001 0.000 0.199 375 D C 2.036 178.284 176.300 -0.087 0.000 0.984 375 D CA 1.019 55.019 54.000 0.001 0.000 0.834 375 D CB -0.011 40.800 40.800 0.017 0.000 0.955 375 D HN 0.291 nan 8.370 nan 0.000 0.465 376 E N -0.420 119.638 120.200 -0.236 0.000 2.130 376 E HA -0.194 4.156 4.350 0.001 0.000 0.196 376 E C 2.154 178.699 176.600 -0.091 0.000 0.998 376 E CA 0.747 57.023 56.400 -0.206 0.000 0.806 376 E CB -0.320 29.207 29.700 -0.289 0.000 0.738 376 E HN 0.404 nan 8.360 nan 0.000 0.459 377 F N 1.281 121.229 119.950 -0.004 0.000 2.216 377 F HA -0.106 4.422 4.527 0.001 0.000 0.300 377 F C 2.354 178.129 175.800 -0.042 0.000 1.085 377 F CA 0.637 58.604 58.000 -0.055 0.000 1.326 377 F CB -0.829 38.120 39.000 -0.085 0.000 1.027 377 F HN -0.066 nan 8.300 nan 0.000 0.497 378 K N 0.298 120.791 120.400 0.155 0.000 2.071 378 K HA -0.223 4.098 4.320 0.001 0.000 0.217 378 K C -0.737 175.886 176.600 0.038 0.000 1.054 378 K CA 2.335 58.676 56.287 0.090 0.000 0.937 378 K CB -1.192 31.351 32.500 0.072 0.000 0.719 378 K HN 0.174 nan 8.250 nan 0.000 0.454 379 P HA -0.052 nan 4.420 nan 0.000 0.227 379 P C 0.847 178.139 177.300 -0.014 0.000 1.161 379 P CA 0.944 64.046 63.100 0.004 0.000 0.788 379 P CB 0.091 31.794 31.700 0.004 0.000 0.822 380 L N -1.448 119.771 121.223 -0.008 0.000 2.156 380 L HA -0.060 4.281 4.340 0.001 0.000 0.208 380 L C 2.254 179.056 176.870 -0.113 0.000 1.095 380 L CA 0.938 55.750 54.840 -0.047 0.000 0.770 380 L CB -0.853 41.190 42.059 -0.026 0.000 0.914 380 L HN -0.141 nan 8.230 nan 0.000 0.439 381 V N -0.127 119.714 119.914 -0.121 0.000 2.346 381 V HA -0.180 3.941 4.120 0.001 0.000 0.244 381 V C 2.295 178.295 176.094 -0.157 0.000 1.037 381 V CA 1.512 63.677 62.300 -0.225 0.000 1.029 381 V CB -0.290 31.398 31.823 -0.224 0.000 0.663 381 V HN 0.384 nan 8.190 nan 0.000 0.454 382 E N -0.025 120.125 120.200 -0.082 0.000 2.031 382 E HA -0.236 4.115 4.350 0.001 0.000 0.193 382 E C 2.312 178.882 176.600 -0.049 0.000 0.994 382 E CA 1.247 57.615 56.400 -0.052 0.000 0.800 382 E CB -0.237 29.450 29.700 -0.021 0.000 0.752 382 E HN 0.546 nan 8.360 nan 0.000 0.447 383 E N 0.639 120.812 120.200 -0.045 0.000 2.086 383 E HA -0.213 4.138 4.350 0.001 0.000 0.205 383 E C -0.730 175.850 176.600 -0.033 0.000 1.027 383 E CA 1.954 58.335 56.400 -0.033 0.000 0.830 383 E CB -0.934 28.747 29.700 -0.032 0.000 0.751 383 E HN 0.130 nan 8.360 nan 0.000 0.456 384 P HA -0.165 nan 4.420 nan 0.000 0.214 384 P C 1.399 178.677 177.300 -0.037 0.000 1.163 384 P CA 1.822 64.891 63.100 -0.052 0.000 0.889 384 P CB -0.231 31.410 31.700 -0.098 0.000 0.790 385 Q N -0.781 118.988 119.800 -0.053 0.000 2.135 385 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 385 Q C 1.949 177.943 176.000 -0.010 0.000 0.981 385 Q CA 1.687 57.470 55.803 -0.033 0.000 0.856 385 Q CB -0.693 28.020 28.738 -0.041 0.000 0.902 385 Q HN 0.465 nan 8.270 nan 0.000 0.425 386 N N 0.150 118.845 118.700 -0.008 0.000 2.084 386 N HA -0.166 4.575 4.740 0.001 0.000 0.190 386 N C 1.534 177.054 175.510 0.017 0.000 1.030 386 N CA 0.791 53.844 53.050 0.005 0.000 0.849 386 N CB -0.098 38.391 38.487 0.003 0.000 1.012 386 N HN 0.060 nan 8.380 nan 0.000 0.423 387 L N 0.788 122.022 121.223 0.018 0.000 2.109 387 L HA 0.023 4.363 4.340 0.001 0.000 0.207 387 L C 1.698 178.598 176.870 0.051 0.000 1.086 387 L CA 1.081 55.944 54.840 0.038 0.000 0.760 387 L CB -0.322 41.761 42.059 0.040 0.000 0.910 387 L HN 0.171 nan 8.230 nan 0.000 0.437 388 I N -0.366 120.226 120.570 0.035 0.000 2.113 388 I HA -0.276 3.895 4.170 0.001 0.000 0.238 388 I C 2.429 178.569 176.117 0.039 0.000 1.070 388 I CA 1.198 62.523 61.300 0.041 0.000 1.332 388 I CB -1.337 36.677 38.000 0.023 0.000 1.044 388 I HN 0.278 nan 8.210 nan 0.000 0.402 389 K N 0.300 120.716 120.400 0.027 0.000 2.071 389 K HA -0.317 4.004 4.320 0.001 0.000 0.217 389 K C 2.133 178.752 176.600 0.032 0.000 1.054 389 K CA 2.303 58.605 56.287 0.025 0.000 0.937 389 K CB -0.338 32.174 32.500 0.020 0.000 0.719 389 K HN 0.396 nan 8.250 nan 0.000 0.454 390 Q N 0.470 120.295 119.800 0.041 0.000 2.096 390 Q HA -0.186 4.155 4.340 0.001 0.000 0.204 390 Q C 1.711 177.755 176.000 0.073 0.000 0.982 390 Q CA 1.732 57.566 55.803 0.052 0.000 0.850 390 Q CB 0.038 28.810 28.738 0.056 0.000 0.901 390 Q HN 0.298 nan 8.270 nan 0.000 0.422 391 N N -0.211 118.550 118.700 0.102 0.000 2.166 391 N HA -0.149 4.592 4.740 0.001 0.000 0.186 391 N C 1.736 177.243 175.510 -0.005 0.000 1.019 391 N CA 1.346 54.490 53.050 0.158 0.000 0.856 391 N CB -0.734 37.900 38.487 0.246 0.000 0.993 391 N HN 0.301 nan 8.380 nan 0.000 0.426 392 c N 0.917 119.514 118.600 -0.004 0.000 2.446 392 c HA -0.029 4.542 4.570 0.001 0.000 0.277 392 c C 2.636 176.735 174.090 0.015 0.000 1.275 392 c CA 0.175 56.499 56.329 -0.009 0.000 1.727 392 c CB -0.866 41.649 42.510 0.009 0.000 2.010 392 c HN 0.548 nan 8.230 nan 0.000 0.486 393 E N 0.316 120.520 120.200 0.007 0.000 2.118 393 E HA -0.260 4.091 4.350 0.001 0.000 0.195 393 E C 1.955 178.539 176.600 -0.028 0.000 0.992 393 E CA 1.153 57.551 56.400 -0.004 0.000 0.804 393 E CB -0.159 29.546 29.700 0.009 0.000 0.741 393 E HN 0.525 nan 8.360 nan 0.000 0.458 394 L N 0.154 121.363 121.223 -0.023 0.000 2.240 394 L HA -0.024 4.316 4.340 0.001 0.000 0.211 394 L C 1.957 178.726 176.870 -0.170 0.000 1.106 394 L CA 1.159 55.988 54.840 -0.018 0.000 0.793 394 L CB -0.465 41.668 42.059 0.124 0.000 0.927 394 L HN 0.203 nan 8.230 nan 0.000 0.446 395 F N 0.303 119.914 119.950 -0.566 0.000 2.113 395 F HA -0.135 4.393 4.527 0.002 0.000 0.297 395 F C 2.268 177.880 175.800 -0.313 0.000 1.103 395 F CA 1.506 59.059 58.000 -0.745 0.000 1.248 395 F CB -0.207 38.294 39.000 -0.831 0.000 0.999 395 F HN 0.094 nan 8.300 nan 0.000 0.475 396 E N 0.580 120.582 120.200 -0.329 0.000 2.085 396 E HA -0.270 4.081 4.350 0.001 0.000 0.194 396 E C 2.162 178.597 176.600 -0.275 0.000 0.994 396 E CA 1.622 57.830 56.400 -0.319 0.000 0.801 396 E CB -0.827 28.802 29.700 -0.119 0.000 0.743 396 E HN 0.626 nan 8.360 nan 0.000 0.453 397 Q N -0.406 119.285 119.800 -0.182 0.000 2.224 397 Q HA -0.021 4.320 4.340 0.001 0.000 0.203 397 Q C 2.106 178.034 176.000 -0.119 0.000 0.970 397 Q CA 0.815 56.549 55.803 -0.115 0.000 0.865 397 Q CB 0.156 28.861 28.738 -0.054 0.000 0.922 397 Q HN 0.270 nan 8.270 nan 0.000 0.445 398 L N -2.288 118.835 121.223 -0.168 0.000 2.600 398 L HA 0.307 4.648 4.340 0.001 0.000 0.213 398 L C 0.748 177.539 176.870 -0.133 0.000 1.045 398 L CA 0.256 55.044 54.840 -0.087 0.000 0.863 398 L CB 0.509 42.589 42.059 0.034 0.000 1.189 398 L HN 0.225 nan 8.230 nan 0.000 0.484 399 G N 0.741 109.336 108.800 -0.342 0.000 2.721 399 G HA2 -0.213 3.748 3.960 0.001 0.000 0.686 399 G HA3 -0.213 3.748 3.960 0.001 0.000 0.686 399 G C 0.243 175.178 174.900 0.057 0.000 1.236 399 G CA 0.050 44.962 45.100 -0.314 0.000 0.786 399 G HN 0.249 nan 8.290 nan 0.000 0.616 400 E N 0.059 120.419 120.200 0.267 0.000 2.149 400 E HA -0.338 4.013 4.350 0.001 0.000 0.215 400 E C 1.924 178.753 176.600 0.382 0.000 1.055 400 E CA 2.616 59.312 56.400 0.493 0.000 0.870 400 E CB -0.150 29.783 29.700 0.389 0.000 0.764 400 E HN 0.738 nan 8.360 nan 0.000 0.463 401 Y N 1.030 121.428 120.300 0.164 0.000 2.133 401 Y HA -0.150 4.401 4.550 0.001 0.000 0.287 401 Y C 2.039 178.009 175.900 0.117 0.000 1.134 401 Y CA 1.816 59.984 58.100 0.114 0.000 1.133 401 Y CB -0.092 38.410 38.460 0.069 0.000 0.987 401 Y HN -0.108 nan 8.280 nan 0.000 0.502 402 K N -0.986 119.381 120.400 -0.054 0.000 2.097 402 K HA -0.171 4.150 4.320 0.001 0.000 0.205 402 K C 2.023 178.628 176.600 0.009 0.000 1.050 402 K CA 1.405 57.611 56.287 -0.136 0.000 0.938 402 K CB -0.532 31.971 32.500 0.007 0.000 0.718 402 K HN 0.298 nan 8.250 nan 0.000 0.442 403 F N 2.800 122.739 119.950 -0.019 0.000 2.134 403 F HA -0.203 4.325 4.527 0.001 0.000 0.299 403 F C 2.102 177.913 175.800 0.019 0.000 1.097 403 F CA 1.531 59.563 58.000 0.053 0.000 1.264 403 F CB -0.323 38.802 39.000 0.207 0.000 1.001 403 F HN 0.028 nan 8.300 nan 0.000 0.479 404 Q N 0.018 119.780 119.800 -0.063 0.000 2.030 404 Q HA -0.246 4.095 4.340 0.001 0.000 0.204 404 Q C 1.953 177.834 176.000 -0.198 0.000 0.986 404 Q CA 1.864 57.558 55.803 -0.182 0.000 0.843 404 Q CB -0.409 28.291 28.738 -0.064 0.000 0.904 404 Q HN 0.372 nan 8.270 nan 0.000 0.420 405 N N 0.573 119.136 118.700 -0.228 0.000 2.094 405 N HA -0.204 4.537 4.740 0.001 0.000 0.191 405 N C 1.532 176.972 175.510 -0.116 0.000 1.023 405 N CA 1.548 54.478 53.050 -0.199 0.000 0.857 405 N CB -0.499 37.822 38.487 -0.277 0.000 1.013 405 N HN 0.308 nan 8.380 nan 0.000 0.426 406 A N 0.685 123.449 122.820 -0.094 0.000 1.898 406 A HA -0.018 4.303 4.320 0.001 0.000 0.216 406 A C 2.304 179.847 177.584 -0.068 0.000 1.181 406 A CA 0.935 52.945 52.037 -0.044 0.000 0.620 406 A CB -0.703 18.320 19.000 0.038 0.000 0.819 406 A HN 0.230 nan 8.150 nan 0.000 0.442 407 L N -0.568 120.553 121.223 -0.170 0.000 2.141 407 L HA -0.109 4.232 4.340 0.001 0.000 0.209 407 L C 2.477 179.342 176.870 -0.009 0.000 1.094 407 L CA 0.558 55.336 54.840 -0.104 0.000 0.763 407 L CB -0.467 41.411 42.059 -0.303 0.000 0.908 407 L HN 0.359 nan 8.230 nan 0.000 0.437 408 L N -0.692 120.488 121.223 -0.072 0.000 2.042 408 L HA -0.246 4.095 4.340 0.001 0.000 0.210 408 L C 2.473 179.342 176.870 -0.002 0.000 1.076 408 L CA 1.286 56.102 54.840 -0.041 0.000 0.749 408 L CB -0.278 41.742 42.059 -0.064 0.000 0.893 408 L HN 0.116 nan 8.230 nan 0.000 0.432 409 V N -0.850 119.059 119.914 -0.009 0.000 2.407 409 V HA -0.231 3.889 4.120 0.001 0.000 0.245 409 V C 2.522 178.617 176.094 0.003 0.000 1.041 409 V CA 1.443 63.740 62.300 -0.004 0.000 1.040 409 V CB -0.532 31.288 31.823 -0.006 0.000 0.671 409 V HN 0.402 nan 8.190 nan 0.000 0.455 410 R N -0.706 119.807 120.500 0.022 0.000 2.115 410 R HA -0.237 4.103 4.340 0.001 0.000 0.239 410 R C 2.254 178.510 176.300 -0.073 0.000 1.133 410 R CA 2.448 58.546 56.100 -0.004 0.000 0.935 410 R CB -0.386 29.962 30.300 0.079 0.000 0.853 410 R HN 0.549 nan 8.270 nan 0.000 0.433 411 Y N -0.926 119.334 120.300 -0.067 0.000 2.448 411 Y HA 0.026 4.577 4.550 0.001 0.000 0.289 411 Y C 2.400 178.262 175.900 -0.064 0.000 1.114 411 Y CA 1.227 59.290 58.100 -0.062 0.000 1.235 411 Y CB -0.000 38.403 38.460 -0.096 0.000 1.045 411 Y HN 0.096 nan 8.280 nan 0.000 0.554 412 T N -0.218 114.362 114.554 0.043 0.000 2.867 412 T HA -0.150 4.200 4.350 0.001 0.000 0.268 412 T C 1.749 176.396 174.700 -0.089 0.000 1.057 412 T CA 1.406 63.484 62.100 -0.037 0.000 1.136 412 T CB -0.099 68.739 68.868 -0.049 0.000 0.874 412 T HN 0.258 nan 8.240 nan 0.000 0.466 413 K N 0.569 120.929 120.400 -0.067 0.000 2.167 413 K HA 0.052 4.373 4.320 0.001 0.000 0.203 413 K C 2.352 178.905 176.600 -0.077 0.000 1.052 413 K CA 0.734 56.979 56.287 -0.070 0.000 0.956 413 K CB -0.003 32.470 32.500 -0.045 0.000 0.735 413 K HN 0.067 nan 8.250 nan 0.000 0.451 414 K N 0.606 120.946 120.400 -0.099 0.000 2.002 414 K HA -0.098 4.223 4.320 0.001 0.000 0.209 414 K C 0.590 177.166 176.600 -0.040 0.000 1.048 414 K CA 1.274 57.497 56.287 -0.107 0.000 0.930 414 K CB 0.369 32.727 32.500 -0.237 0.000 0.714 414 K HN 0.080 nan 8.250 nan 0.000 0.438 415 V N -2.380 117.522 119.914 -0.019 0.000 2.464 415 V HA 0.358 4.479 4.120 0.001 0.000 0.255 415 V C -2.608 173.453 176.094 -0.056 0.000 0.946 415 V CA -1.372 60.937 62.300 0.014 0.000 0.988 415 V CB 1.112 33.000 31.823 0.108 0.000 1.210 415 V HN -0.014 nan 8.190 nan 0.000 0.523 416 P HA 0.039 nan 4.420 nan 0.000 0.237 416 P C 1.217 178.267 177.300 -0.417 0.000 1.178 416 P CA 0.883 63.692 63.100 -0.485 0.000 0.766 416 P CB 0.335 31.387 31.700 -1.079 0.000 0.876 417 Q N -0.863 118.871 119.800 -0.110 0.000 2.311 417 Q HA 0.023 4.364 4.340 0.001 0.000 0.203 417 Q C 0.689 176.731 176.000 0.070 0.000 0.954 417 Q CA 0.402 56.259 55.803 0.090 0.000 0.885 417 Q CB -0.596 28.240 28.738 0.163 0.000 0.963 417 Q HN 0.092 nan 8.270 nan 0.000 0.471 418 V N 2.012 121.957 119.914 0.053 0.000 2.740 418 V HA -0.002 4.119 4.120 0.001 0.000 0.303 418 V C 0.648 176.761 176.094 0.032 0.000 1.054 418 V CA -0.168 62.175 62.300 0.072 0.000 1.106 418 V CB 1.028 32.914 31.823 0.105 0.000 0.957 418 V HN 0.422 nan 8.190 nan 0.000 0.486 419 S N 3.483 119.201 115.700 0.030 0.000 2.560 419 S HA -0.044 4.427 4.470 0.001 0.000 0.276 419 S C 1.158 175.761 174.600 0.005 0.000 1.350 419 S CA 0.510 58.721 58.200 0.017 0.000 1.024 419 S CB 0.573 63.778 63.200 0.010 0.000 0.864 419 S HN 0.790 nan 8.310 nan 0.000 0.536 420 T N 2.978 117.532 114.554 0.000 0.000 2.770 420 T HA 0.063 4.414 4.350 0.001 0.000 0.263 420 T C -0.918 173.770 174.700 -0.020 0.000 1.039 420 T CA 1.409 63.499 62.100 -0.017 0.000 1.142 420 T CB -1.423 67.432 68.868 -0.022 0.000 0.868 420 T HN 0.592 nan 8.240 nan 0.000 0.435 421 P HA -0.056 nan 4.420 nan 0.000 0.216 421 P C 1.521 178.810 177.300 -0.017 0.000 1.150 421 P CA 1.282 64.373 63.100 -0.014 0.000 0.837 421 P CB -0.266 31.428 31.700 -0.010 0.000 0.786 422 T N -0.405 114.141 114.554 -0.013 0.000 2.737 422 T HA -0.061 4.290 4.350 0.001 0.000 0.265 422 T C 1.789 176.466 174.700 -0.039 0.000 1.038 422 T CA 0.927 63.017 62.100 -0.018 0.000 1.144 422 T CB -0.942 67.928 68.868 0.004 0.000 0.866 422 T HN 0.045 nan 8.240 nan 0.000 0.434 423 L N 0.783 121.987 121.223 -0.032 0.000 2.127 423 L HA -0.109 4.232 4.340 0.001 0.000 0.211 423 L C 2.535 179.365 176.870 -0.066 0.000 1.089 423 L CA 0.833 55.644 54.840 -0.048 0.000 0.757 423 L CB -0.460 41.581 42.059 -0.030 0.000 0.899 423 L HN 0.167 nan 8.230 nan 0.000 0.434 424 V N -0.659 119.225 119.914 -0.050 0.000 2.283 424 V HA -0.255 3.866 4.120 0.001 0.000 0.243 424 V C 2.383 178.446 176.094 -0.051 0.000 1.039 424 V CA 1.775 64.048 62.300 -0.045 0.000 1.016 424 V CB -0.333 31.474 31.823 -0.027 0.000 0.650 424 V HN 0.441 nan 8.190 nan 0.000 0.449 425 E N -0.012 120.161 120.200 -0.044 0.000 2.077 425 E HA -0.192 4.158 4.350 0.001 0.000 0.193 425 E C 2.211 178.762 176.600 -0.082 0.000 0.989 425 E CA 1.642 58.016 56.400 -0.043 0.000 0.800 425 E CB 0.004 29.687 29.700 -0.028 0.000 0.746 425 E HN 0.407 nan 8.360 nan 0.000 0.452 426 V N 0.463 120.306 119.914 -0.117 0.000 2.358 426 V HA -0.220 3.901 4.120 0.001 0.000 0.246 426 V C 2.303 178.245 176.094 -0.253 0.000 1.047 426 V CA 1.886 64.069 62.300 -0.195 0.000 1.035 426 V CB -0.314 31.371 31.823 -0.230 0.000 0.658 426 V HN 0.217 nan 8.190 nan 0.000 0.452 427 S N -0.685 114.879 115.700 -0.226 0.000 2.406 427 S HA -0.114 4.357 4.470 0.001 0.000 0.228 427 S C 2.080 176.570 174.600 -0.184 0.000 1.020 427 S CA 1.051 59.099 58.200 -0.253 0.000 0.965 427 S CB -0.245 62.843 63.200 -0.186 0.000 0.798 427 S HN 0.515 nan 8.310 nan 0.000 0.488 428 R N 1.552 121.988 120.500 -0.107 0.000 2.081 428 R HA 0.012 4.352 4.340 0.001 0.000 0.235 428 R C 1.876 178.162 176.300 -0.022 0.000 1.131 428 R CA 1.359 57.434 56.100 -0.041 0.000 0.960 428 R CB -0.319 29.980 30.300 -0.001 0.000 0.856 428 R HN 0.346 nan 8.270 nan 0.000 0.436 429 N N 0.791 119.465 118.700 -0.044 0.000 2.216 429 N HA -0.091 4.650 4.740 0.001 0.000 0.183 429 N C 1.916 177.417 175.510 -0.014 0.000 1.017 429 N CA 0.893 53.946 53.050 0.004 0.000 0.861 429 N CB -0.165 38.290 38.487 -0.054 0.000 0.986 429 N HN 0.179 nan 8.380 nan 0.000 0.428 430 L N 0.511 121.634 121.223 -0.167 0.000 2.079 430 L HA -0.124 4.217 4.340 0.001 0.000 0.210 430 L C 2.304 179.118 176.870 -0.092 0.000 1.081 430 L CA 1.349 56.067 54.840 -0.204 0.000 0.752 430 L CB -0.729 41.090 42.059 -0.400 0.000 0.896 430 L HN 0.233 nan 8.230 nan 0.000 0.433 431 G N -0.452 108.277 108.800 -0.119 0.000 2.421 431 G HA2 -0.192 3.768 3.960 0.001 0.000 0.217 431 G HA3 -0.192 3.768 3.960 0.001 0.000 0.217 431 G C 1.515 176.530 174.900 0.192 0.000 1.143 431 G CA 0.090 45.154 45.100 -0.060 0.000 0.784 431 G HN 0.305 nan 8.290 nan 0.000 0.541 432 K N 0.391 120.881 120.400 0.151 0.000 2.574 432 K HA 0.091 4.412 4.320 0.001 0.000 0.193 432 K C 2.141 178.735 176.600 -0.011 0.000 1.035 432 K CA 0.014 56.361 56.287 0.099 0.000 0.982 432 K CB 0.117 32.683 32.500 0.110 0.000 0.795 432 K HN 0.226 nan 8.250 nan 0.000 0.491 433 V N 0.734 120.728 119.914 0.133 0.000 2.358 433 V HA -0.160 3.961 4.120 0.001 0.000 0.246 433 V C 2.036 178.006 176.094 -0.207 0.000 1.047 433 V CA 2.324 64.646 62.300 0.037 0.000 1.035 433 V CB -0.406 31.558 31.823 0.234 0.000 0.658 433 V HN 0.461 nan 8.190 nan 0.000 0.452 434 G N -0.900 107.672 108.800 -0.382 0.000 2.418 434 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 434 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 434 G C 1.771 176.004 174.900 -1.111 0.000 1.158 434 G CA 1.105 45.527 45.100 -1.130 0.000 0.771 434 G HN 0.561 nan 8.290 nan 0.000 0.545 435 S N 0.267 115.528 115.700 -0.732 0.000 2.402 435 S HA -0.013 4.457 4.470 0.001 0.000 0.229 435 S C 2.162 176.612 174.600 -0.249 0.000 1.021 435 S CA 1.015 59.043 58.200 -0.286 0.000 0.974 435 S CB -0.070 63.092 63.200 -0.064 0.000 0.800 435 S HN 0.359 nan 8.310 nan 0.000 0.484 436 K N -0.068 120.154 120.400 -0.296 0.000 2.116 436 K HA 0.069 4.390 4.320 0.001 0.000 0.203 436 K C 1.739 178.187 176.600 -0.252 0.000 1.052 436 K CA 1.164 57.280 56.287 -0.284 0.000 0.952 436 K CB -0.052 32.199 32.500 -0.416 0.000 0.729 436 K HN 0.385 nan 8.250 nan 0.000 0.446 437 c N -1.141 117.320 118.600 -0.231 0.000 2.735 437 c HA 0.094 4.665 4.570 0.001 0.000 0.444 437 c C 2.615 176.640 174.090 -0.109 0.000 1.331 437 c CA -0.542 55.723 56.329 -0.107 0.000 2.225 437 c CB -0.410 42.080 42.510 -0.034 0.000 2.917 437 c HN 0.506 nan 8.230 nan 0.000 0.567 438 c N 1.570 120.065 118.600 -0.176 0.000 2.410 438 c HA -0.107 4.463 4.570 0.001 0.000 0.281 438 c C 2.713 176.770 174.090 -0.056 0.000 1.318 438 c CA 1.337 57.611 56.329 -0.091 0.000 1.776 438 c CB -1.132 41.328 42.510 -0.082 0.000 1.942 438 c HN 0.656 nan 8.230 nan 0.000 0.508 439 K N 1.084 121.406 120.400 -0.131 0.000 2.077 439 K HA -0.165 4.155 4.320 0.001 0.000 0.213 439 K C 0.979 177.501 176.600 -0.130 0.000 1.051 439 K CA 1.517 57.709 56.287 -0.159 0.000 0.929 439 K CB -0.617 31.711 32.500 -0.287 0.000 0.715 439 K HN 0.565 nan 8.250 nan 0.000 0.451 440 H N 0.606 119.664 119.070 -0.019 0.000 2.745 440 H HA 0.118 4.675 4.556 0.001 0.000 0.373 440 H C -1.972 173.353 175.328 -0.005 0.000 1.226 440 H CA -1.642 54.398 56.048 -0.012 0.000 1.435 440 H CB -0.193 29.559 29.762 -0.017 0.000 1.461 440 H HN 0.267 nan 8.280 nan 0.000 0.616 441 P HA 0.080 nan 4.420 nan 0.000 0.276 441 P C 0.204 177.541 177.300 0.062 0.000 1.252 441 P CA -0.374 62.772 63.100 0.077 0.000 0.802 441 P CB 0.958 32.690 31.700 0.054 0.000 1.035 442 E N 0.296 120.522 120.200 0.042 0.000 2.352 442 E HA -0.246 4.105 4.350 0.001 0.000 0.203 442 E C 1.718 178.334 176.600 0.028 0.000 1.024 442 E CA 1.749 58.169 56.400 0.033 0.000 0.842 442 E CB -0.300 29.417 29.700 0.027 0.000 0.753 442 E HN 0.491 nan 8.360 nan 0.000 0.508 443 A N 1.159 123.993 122.820 0.023 0.000 1.844 443 A HA -0.073 4.248 4.320 0.001 0.000 0.212 443 A C 1.877 179.457 177.584 -0.008 0.000 1.221 443 A CA 0.888 52.935 52.037 0.017 0.000 0.607 443 A CB -0.060 18.945 19.000 0.009 0.000 0.878 443 A HN -0.015 nan 8.150 nan 0.000 0.451 444 K N -0.361 120.005 120.400 -0.058 0.000 2.439 444 K HA 0.012 4.333 4.320 0.001 0.000 0.197 444 K C 2.114 178.663 176.600 -0.084 0.000 1.041 444 K CA 0.340 56.534 56.287 -0.154 0.000 0.970 444 K CB -0.070 32.173 32.500 -0.428 0.000 0.773 444 K HN 0.335 nan 8.250 nan 0.000 0.479 445 R N 0.531 121.041 120.500 0.017 0.000 2.094 445 R HA -0.175 4.166 4.340 0.001 0.000 0.239 445 R C 2.335 178.654 176.300 0.032 0.000 1.137 445 R CA 1.815 57.952 56.100 0.061 0.000 0.943 445 R CB -0.248 30.082 30.300 0.049 0.000 0.850 445 R HN 0.237 nan 8.270 nan 0.000 0.433 446 M N 0.653 120.257 119.600 0.007 0.000 2.067 446 M HA -0.076 4.405 4.480 0.001 0.000 0.260 446 M C -0.869 175.428 176.300 -0.005 0.000 1.069 446 M CA 1.631 56.925 55.300 -0.009 0.000 1.117 446 M CB -0.886 31.687 32.600 -0.045 0.000 1.334 446 M HN -0.039 nan 8.290 nan 0.000 0.407 447 P HA -0.109 nan 4.420 nan 0.000 0.225 447 P C 1.633 178.946 177.300 0.021 0.000 1.148 447 P CA 1.103 64.200 63.100 -0.006 0.000 0.779 447 P CB -0.525 31.164 31.700 -0.017 0.000 0.780 448 c N 0.185 118.803 118.600 0.030 0.000 2.541 448 c HA 0.172 4.743 4.570 0.001 0.000 0.282 448 c C 3.014 177.165 174.090 0.102 0.000 1.263 448 c CA 1.522 57.892 56.329 0.068 0.000 1.709 448 c CB -1.426 41.154 42.510 0.115 0.000 2.097 448 c HN 0.248 nan 8.230 nan 0.000 0.480 449 A N -0.423 122.450 122.820 0.088 0.000 1.872 449 A HA -0.132 4.189 4.320 0.001 0.000 0.214 449 A C 2.193 179.851 177.584 0.123 0.000 1.187 449 A CA 1.757 53.864 52.037 0.116 0.000 0.614 449 A CB -0.913 18.130 19.000 0.072 0.000 0.826 449 A HN 0.783 nan 8.150 nan 0.000 0.442 450 E N -0.505 119.734 120.200 0.065 0.000 2.152 450 E HA -0.162 4.189 4.350 0.001 0.000 0.192 450 E C 0.876 177.511 176.600 0.057 0.000 0.983 450 E CA 0.952 57.375 56.400 0.038 0.000 0.818 450 E CB -0.013 29.678 29.700 -0.014 0.000 0.758 450 E HN 0.486 nan 8.360 nan 0.000 0.467 451 D N -0.482 119.969 120.400 0.085 0.000 2.269 451 D HA -0.132 4.508 4.640 0.001 0.000 0.208 451 D C 1.404 177.807 176.300 0.172 0.000 0.963 451 D CA 0.587 54.674 54.000 0.144 0.000 0.864 451 D CB -0.080 40.808 40.800 0.147 0.000 0.936 451 D HN 0.293 nan 8.370 nan 0.000 0.505 452 Y N 1.117 121.437 120.300 0.033 0.000 2.314 452 Y HA 0.040 4.591 4.550 0.002 0.000 0.294 452 Y C 1.961 177.857 175.900 -0.006 0.000 1.119 452 Y CA 0.838 58.944 58.100 0.010 0.000 1.179 452 Y CB -0.289 38.171 38.460 0.001 0.000 1.025 452 Y HN -0.153 nan 8.280 nan 0.000 0.541 453 L N -0.829 120.324 121.223 -0.117 0.000 2.201 453 L HA -0.177 4.164 4.340 0.001 0.000 0.212 453 L C 2.495 179.260 176.870 -0.175 0.000 1.105 453 L CA 1.215 55.923 54.840 -0.219 0.000 0.775 453 L CB -0.643 41.374 42.059 -0.070 0.000 0.913 453 L HN 0.104 nan 8.230 nan 0.000 0.440 454 S N -0.431 115.234 115.700 -0.060 0.000 2.356 454 S HA -0.163 4.308 4.470 0.001 0.000 0.223 454 S C 2.072 176.626 174.600 -0.078 0.000 1.032 454 S CA 1.325 59.527 58.200 0.004 0.000 1.005 454 S CB -0.211 63.091 63.200 0.170 0.000 0.867 454 S HN 0.161 nan 8.310 nan 0.000 0.449 455 V N 1.382 121.219 119.914 -0.129 0.000 2.287 455 V HA -0.154 3.967 4.120 0.001 0.000 0.248 455 V C 2.303 178.258 176.094 -0.231 0.000 1.053 455 V CA 1.614 63.810 62.300 -0.174 0.000 1.027 455 V CB -0.677 31.056 31.823 -0.150 0.000 0.646 455 V HN 0.335 nan 8.190 nan 0.000 0.447 456 V N -0.506 119.183 119.914 -0.374 0.000 2.307 456 V HA -0.224 3.897 4.120 0.001 0.000 0.245 456 V C 2.289 178.208 176.094 -0.292 0.000 1.045 456 V CA 1.829 63.906 62.300 -0.372 0.000 1.024 456 V CB -0.517 30.986 31.823 -0.532 0.000 0.651 456 V HN 0.433 nan 8.190 nan 0.000 0.449 457 L N 0.509 121.560 121.223 -0.287 0.000 2.127 457 L HA -0.212 4.129 4.340 0.001 0.000 0.211 457 L C 2.380 179.154 176.870 -0.160 0.000 1.089 457 L CA 1.987 56.655 54.840 -0.287 0.000 0.757 457 L CB -0.635 41.291 42.059 -0.222 0.000 0.899 457 L HN 0.488 nan 8.230 nan 0.000 0.434 458 N N -0.528 118.109 118.700 -0.106 0.000 2.216 458 N HA -0.217 4.524 4.740 0.001 0.000 0.183 458 N C 1.898 177.374 175.510 -0.057 0.000 1.017 458 N CA 0.953 53.973 53.050 -0.051 0.000 0.861 458 N CB 0.017 38.467 38.487 -0.063 0.000 0.986 458 N HN 0.219 nan 8.380 nan 0.000 0.428 459 Q N -0.216 119.530 119.800 -0.090 0.000 2.045 459 Q HA -0.203 4.138 4.340 0.001 0.000 0.206 459 Q C 1.940 177.909 176.000 -0.053 0.000 0.991 459 Q CA 1.684 57.447 55.803 -0.067 0.000 0.851 459 Q CB -0.331 28.354 28.738 -0.088 0.000 0.911 459 Q HN 0.465 nan 8.270 nan 0.000 0.418 460 L N 0.363 121.526 121.223 -0.101 0.000 2.079 460 L HA -0.207 4.134 4.340 0.001 0.000 0.210 460 L C 2.268 179.142 176.870 0.007 0.000 1.081 460 L CA 1.750 56.541 54.840 -0.082 0.000 0.752 460 L CB -0.832 41.100 42.059 -0.212 0.000 0.896 460 L HN 0.325 nan 8.230 nan 0.000 0.433 461 c N -1.448 117.161 118.600 0.014 0.000 2.429 461 c HA -0.125 4.446 4.570 0.001 0.000 0.277 461 c C 2.806 176.949 174.090 0.089 0.000 1.262 461 c CA 1.052 57.423 56.329 0.070 0.000 1.733 461 c CB -0.991 41.571 42.510 0.088 0.000 2.010 461 c HN 0.637 nan 8.230 nan 0.000 0.483 462 V N -0.725 119.221 119.914 0.053 0.000 2.488 462 V HA -0.024 4.097 4.120 0.001 0.000 0.246 462 V C 1.999 178.137 176.094 0.073 0.000 1.046 462 V CA 1.666 63.997 62.300 0.053 0.000 1.053 462 V CB -1.001 30.833 31.823 0.018 0.000 0.679 462 V HN 0.534 nan 8.190 nan 0.000 0.458 463 L N 0.093 121.356 121.223 0.067 0.000 2.456 463 L HA -0.049 4.292 4.340 0.001 0.000 0.224 463 L C 2.534 179.458 176.870 0.090 0.000 1.148 463 L CA 1.908 56.785 54.840 0.062 0.000 0.825 463 L CB -0.773 41.309 42.059 0.037 0.000 0.937 463 L HN 0.536 nan 8.230 nan 0.000 0.450 464 H N -0.392 118.692 119.070 0.023 0.000 2.418 464 H HA -0.070 4.487 4.556 0.001 0.000 0.300 464 H C 2.238 177.585 175.328 0.032 0.000 1.041 464 H CA 0.898 56.965 56.048 0.033 0.000 1.364 464 H CB 0.420 30.214 29.762 0.053 0.000 1.439 464 H HN 0.216 nan 8.280 nan 0.000 0.540 465 E N 0.913 121.255 120.200 0.236 0.000 2.147 465 E HA -0.293 4.058 4.350 0.001 0.000 0.199 465 E C 1.996 178.629 176.600 0.056 0.000 1.005 465 E CA 1.467 57.958 56.400 0.152 0.000 0.810 465 E CB 0.028 29.787 29.700 0.097 0.000 0.736 465 E HN 0.432 nan 8.360 nan 0.000 0.460 466 K N -0.102 120.318 120.400 0.033 0.000 1.965 466 K HA -0.114 4.207 4.320 0.001 0.000 0.218 466 K C 0.755 177.337 176.600 -0.029 0.000 1.048 466 K CA 1.916 58.207 56.287 0.007 0.000 0.960 466 K CB -0.193 32.315 32.500 0.013 0.000 0.732 466 K HN 0.157 nan 8.250 nan 0.000 0.444 467 T N 1.407 115.918 114.554 -0.071 0.000 3.355 467 T HA 0.365 4.716 4.350 0.001 0.000 0.376 467 T C -2.655 171.906 174.700 -0.232 0.000 1.683 467 T CA -2.070 59.968 62.100 -0.103 0.000 1.269 467 T CB 0.920 69.745 68.868 -0.072 0.000 1.158 467 T HN 0.078 nan 8.240 nan 0.000 0.703 468 P HA 0.178 nan 4.420 nan 0.000 0.268 468 P C 0.462 177.612 177.300 -0.250 0.000 1.204 468 P CA -0.284 62.573 63.100 -0.405 0.000 0.768 468 P CB 1.432 33.096 31.700 -0.061 0.000 0.842 469 V N 0.590 120.342 119.914 -0.271 0.000 3.408 469 V HA 0.118 4.238 4.120 0.001 0.000 0.263 469 V C 0.766 176.924 176.094 0.106 0.000 1.503 469 V CA 0.494 62.774 62.300 -0.034 0.000 1.046 469 V CB 0.419 32.227 31.823 -0.026 0.000 0.851 469 V HN 0.728 nan 8.190 nan 0.000 0.435 470 S N -0.381 115.468 115.700 0.250 0.000 2.677 470 S HA 0.361 4.832 4.470 0.001 0.000 0.283 470 S C 0.008 174.728 174.600 0.199 0.000 1.159 470 S CA -0.486 57.845 58.200 0.218 0.000 1.001 470 S CB 1.925 65.250 63.200 0.208 0.000 1.032 470 S HN 0.162 nan 8.310 nan 0.000 0.487 471 D N 2.910 123.379 120.400 0.115 0.000 2.218 471 D HA -0.080 4.561 4.640 0.001 0.000 0.204 471 D C 1.736 178.048 176.300 0.019 0.000 0.976 471 D CA 1.008 55.050 54.000 0.070 0.000 0.853 471 D CB 0.129 40.956 40.800 0.046 0.000 0.939 471 D HN 0.637 nan 8.370 nan 0.000 0.481 472 R N 0.279 120.788 120.500 0.014 0.000 2.092 472 R HA -0.059 4.282 4.340 0.001 0.000 0.231 472 R C 2.434 178.675 176.300 -0.099 0.000 1.119 472 R CA 0.495 56.572 56.100 -0.039 0.000 0.970 472 R CB -0.146 30.143 30.300 -0.018 0.000 0.864 472 R HN 0.057 nan 8.270 nan 0.000 0.440 473 V N 0.431 120.299 119.914 -0.075 0.000 2.255 473 V HA -0.218 3.903 4.120 0.001 0.000 0.243 473 V C 2.094 178.051 176.094 -0.228 0.000 1.038 473 V CA 2.181 64.388 62.300 -0.154 0.000 1.008 473 V CB -0.600 31.013 31.823 -0.350 0.000 0.645 473 V HN 0.359 nan 8.190 nan 0.000 0.449 474 T N -0.372 114.050 114.554 -0.221 0.000 2.760 474 T HA -0.332 4.019 4.350 0.001 0.000 0.269 474 T C 1.907 176.577 174.700 -0.050 0.000 1.047 474 T CA 2.180 64.238 62.100 -0.069 0.000 1.139 474 T CB -0.251 68.659 68.868 0.070 0.000 0.855 474 T HN 0.443 nan 8.240 nan 0.000 0.471 475 K N -0.192 120.164 120.400 -0.074 0.000 2.167 475 K HA 0.011 4.331 4.320 0.001 0.000 0.203 475 K C 2.327 178.856 176.600 -0.119 0.000 1.052 475 K CA 0.852 57.093 56.287 -0.076 0.000 0.956 475 K CB -0.238 32.216 32.500 -0.077 0.000 0.735 475 K HN 0.306 nan 8.250 nan 0.000 0.451 476 c N 0.026 118.489 118.600 -0.228 0.000 2.450 476 c HA -0.021 4.550 4.570 0.001 0.000 0.279 476 c C 2.630 176.649 174.090 -0.118 0.000 1.335 476 c CA 0.172 56.300 56.329 -0.336 0.000 1.749 476 c CB -0.721 41.213 42.510 -0.961 0.000 1.963 476 c HN 0.655 nan 8.230 nan 0.000 0.501 477 c N -0.449 118.141 118.600 -0.016 0.000 2.505 477 c HA -0.034 4.537 4.570 0.001 0.000 0.279 477 c C 2.823 177.026 174.090 0.188 0.000 1.316 477 c CA 1.150 57.550 56.329 0.118 0.000 1.720 477 c CB -1.512 41.063 42.510 0.109 0.000 2.050 477 c HN 0.634 nan 8.230 nan 0.000 0.493 478 T N 0.957 115.570 114.554 0.098 0.000 2.777 478 T HA -0.126 4.225 4.350 0.001 0.000 0.266 478 T C 1.631 176.429 174.700 0.163 0.000 1.040 478 T CA 1.393 63.545 62.100 0.086 0.000 1.141 478 T CB -0.174 68.706 68.868 0.020 0.000 0.868 478 T HN 0.632 nan 8.240 nan 0.000 0.444 479 E N 0.814 121.086 120.200 0.119 0.000 2.001 479 E HA 0.020 4.371 4.350 0.001 0.000 0.193 479 E C 1.093 177.797 176.600 0.173 0.000 0.994 479 E CA 0.649 57.114 56.400 0.108 0.000 0.815 479 E CB 0.057 29.774 29.700 0.029 0.000 0.770 479 E HN 0.223 nan 8.360 nan 0.000 0.453 480 S N -0.659 115.098 115.700 0.095 0.000 2.503 480 S HA 0.201 4.672 4.470 0.001 0.000 0.301 480 S C 0.288 174.801 174.600 -0.145 0.000 1.087 480 S CA -0.731 57.471 58.200 0.003 0.000 1.042 480 S CB 1.671 64.848 63.200 -0.039 0.000 1.043 480 S HN 0.178 nan 8.310 nan 0.000 0.489 481 L N 5.639 126.544 121.223 -0.531 0.000 2.131 481 L HA 0.206 4.547 4.340 0.001 0.000 0.206 481 L C 1.843 178.580 176.870 -0.222 0.000 1.087 481 L CA 1.810 56.259 54.840 -0.651 0.000 0.767 481 L CB -0.628 40.779 42.059 -1.087 0.000 0.917 481 L HN 0.652 nan 8.230 nan 0.000 0.441 482 V N -0.198 119.607 119.914 -0.181 0.000 2.488 482 V HA -0.125 3.996 4.120 0.001 0.000 0.246 482 V C 1.403 177.445 176.094 -0.087 0.000 1.046 482 V CA 1.757 63.984 62.300 -0.121 0.000 1.053 482 V CB -0.952 30.781 31.823 -0.149 0.000 0.679 482 V HN 0.527 nan 8.190 nan 0.000 0.458 483 N N -0.173 118.482 118.700 -0.076 0.000 2.313 483 N HA 0.118 4.859 4.740 0.001 0.000 0.207 483 N C 1.557 177.052 175.510 -0.026 0.000 1.141 483 N CA -0.226 52.792 53.050 -0.053 0.000 0.830 483 N CB 0.079 38.533 38.487 -0.056 0.000 1.008 483 N HN 0.411 nan 8.380 nan 0.000 0.481 484 R N 0.987 121.492 120.500 0.009 0.000 2.070 484 R HA -0.078 4.263 4.340 0.001 0.000 0.233 484 R C 2.251 178.671 176.300 0.199 0.000 1.137 484 R CA 1.130 57.284 56.100 0.091 0.000 0.945 484 R CB -0.176 30.226 30.300 0.169 0.000 0.845 484 R HN 0.245 nan 8.270 nan 0.000 0.430 485 R N 0.649 121.249 120.500 0.166 0.000 2.080 485 R HA -0.104 4.237 4.340 0.001 0.000 0.236 485 R C -0.795 175.589 176.300 0.141 0.000 1.137 485 R CA 1.620 57.831 56.100 0.185 0.000 0.943 485 R CB -1.192 29.163 30.300 0.091 0.000 0.846 485 R HN 0.108 nan 8.270 nan 0.000 0.431 486 P HA -0.210 nan 4.420 nan 0.000 0.216 486 P C 1.620 178.919 177.300 -0.002 0.000 1.157 486 P CA 1.333 64.443 63.100 0.017 0.000 0.880 486 P CB -0.331 31.359 31.700 -0.017 0.000 0.791 487 c N -2.078 116.495 118.600 -0.044 0.000 2.413 487 c HA -0.175 4.395 4.570 0.001 0.000 0.276 487 c C 2.470 176.453 174.090 -0.178 0.000 1.236 487 c CA 0.863 57.099 56.329 -0.156 0.000 1.735 487 c CB -2.171 40.172 42.510 -0.277 0.000 2.031 487 c HN 0.063 nan 8.230 nan 0.000 0.474 488 F N 1.249 121.200 119.950 0.002 0.000 2.259 488 F HA -0.018 4.510 4.527 0.002 0.000 0.298 488 F C 2.712 178.489 175.800 -0.038 0.000 1.088 488 F CA 1.668 59.676 58.000 0.014 0.000 1.358 488 F CB -0.665 38.412 39.000 0.129 0.000 1.040 488 F HN 0.145 nan 8.300 nan 0.000 0.505 489 S N 0.005 115.799 115.700 0.157 0.000 2.356 489 S HA -0.155 4.315 4.470 0.001 0.000 0.223 489 S C 2.213 176.813 174.600 -0.001 0.000 1.032 489 S CA 1.112 59.352 58.200 0.067 0.000 1.005 489 S CB -0.684 62.556 63.200 0.066 0.000 0.867 489 S HN 0.327 nan 8.310 nan 0.000 0.449 490 A N 0.660 123.472 122.820 -0.013 0.000 2.239 490 A HA 0.280 4.601 4.320 0.001 0.000 0.209 490 A C 0.717 178.270 177.584 -0.051 0.000 1.171 490 A CA 0.203 52.220 52.037 -0.034 0.000 0.768 490 A CB -0.438 18.539 19.000 -0.039 0.000 0.790 490 A HN 0.393 nan 8.150 nan 0.000 0.478 491 L N 0.127 121.312 121.223 -0.064 0.000 2.417 491 L HA 0.384 4.724 4.340 0.001 0.000 0.268 491 L C 0.295 177.117 176.870 -0.081 0.000 1.158 491 L CA -0.250 54.545 54.840 -0.076 0.000 0.819 491 L CB 0.865 42.876 42.059 -0.079 0.000 1.112 491 L HN 0.220 nan 8.230 nan 0.000 0.458 492 E N 0.728 120.890 120.200 -0.063 0.000 2.359 492 E HA 0.304 4.654 4.350 0.001 0.000 0.266 492 E C -1.139 175.433 176.600 -0.047 0.000 0.920 492 E CA -0.702 55.664 56.400 -0.056 0.000 0.788 492 E CB 2.168 31.846 29.700 -0.036 0.000 1.279 492 E HN 0.224 nan 8.360 nan 0.000 0.438 493 V N 2.214 122.104 119.914 -0.041 0.000 2.877 493 V HA -0.129 3.992 4.120 0.001 0.000 0.294 493 V C -0.402 175.690 176.094 -0.003 0.000 1.280 493 V CA 0.868 63.153 62.300 -0.025 0.000 1.372 493 V CB 0.424 32.240 31.823 -0.010 0.000 0.867 493 V HN 0.676 nan 8.190 nan 0.000 0.513 494 D N 5.406 125.812 120.400 0.009 0.000 2.365 494 D HA 0.198 4.839 4.640 0.001 0.000 0.237 494 D C 0.955 177.300 176.300 0.075 0.000 1.190 494 D CA -0.114 53.910 54.000 0.040 0.000 0.867 494 D CB 1.084 41.913 40.800 0.049 0.000 1.050 494 D HN 0.684 nan 8.370 nan 0.000 0.491 495 E N 1.899 122.133 120.200 0.057 0.000 2.358 495 E HA -0.070 4.281 4.350 0.001 0.000 0.195 495 E C 1.454 178.095 176.600 0.069 0.000 1.010 495 E CA 0.569 57.004 56.400 0.058 0.000 0.856 495 E CB 0.056 29.777 29.700 0.035 0.000 0.795 495 E HN 0.491 nan 8.360 nan 0.000 0.504 496 T N 0.694 115.295 114.554 0.079 0.000 2.777 496 T HA -0.179 4.172 4.350 0.001 0.000 0.266 496 T C 0.669 175.424 174.700 0.092 0.000 1.040 496 T CA 0.522 62.666 62.100 0.074 0.000 1.141 496 T CB -0.432 68.482 68.868 0.075 0.000 0.868 496 T HN 0.197 nan 8.240 nan 0.000 0.444 497 Y N 3.545 123.859 120.300 0.023 0.000 2.745 497 Y HA 0.232 4.782 4.550 0.001 0.000 0.335 497 Y C 0.334 176.252 175.900 0.030 0.000 1.212 497 Y CA -0.831 57.288 58.100 0.030 0.000 1.535 497 Y CB -0.073 38.409 38.460 0.036 0.000 1.220 497 Y HN -0.100 nan 8.280 nan 0.000 0.531 498 V N 9.732 129.304 119.914 -0.569 0.000 2.843 498 V HA 0.289 4.410 4.120 0.001 0.000 0.305 498 V C -2.089 173.482 176.094 -0.872 0.000 1.065 498 V CA -1.577 60.408 62.300 -0.524 0.000 1.116 498 V CB 0.931 32.565 31.823 -0.314 0.000 0.968 498 V HN 0.812 nan 8.190 nan 0.000 0.487 499 P HA 0.364 nan 4.420 nan 0.000 0.295 499 P C -1.578 175.658 177.300 -0.108 0.000 1.397 499 P CA -0.798 62.201 63.100 -0.169 0.000 0.903 499 P CB 0.509 32.197 31.700 -0.020 0.000 1.028 500 K N 3.641 124.014 120.400 -0.044 0.000 2.155 500 K HA 0.178 4.498 4.320 0.001 0.000 0.240 500 K C 0.488 176.950 176.600 -0.231 0.000 1.193 500 K CA -0.485 55.774 56.287 -0.047 0.000 1.104 500 K CB -0.024 32.502 32.500 0.042 0.000 1.558 500 K HN 0.246 nan 8.250 nan 0.000 0.313 501 E N 0.220 120.247 120.200 -0.288 0.000 3.097 501 E HA -0.284 4.067 4.350 0.001 0.000 0.310 501 E C -0.721 175.476 176.600 -0.673 0.000 1.426 501 E CA 1.163 57.410 56.400 -0.253 0.000 1.676 501 E CB -0.679 28.952 29.700 -0.116 0.000 1.891 501 E HN 0.444 nan 8.360 nan 0.000 0.527 502 F N 1.649 121.290 119.950 -0.515 0.000 2.617 502 F HA 0.281 4.808 4.527 0.001 0.000 0.325 502 F C -0.518 175.191 175.800 -0.151 0.000 1.179 502 F CA -0.738 56.989 58.000 -0.456 0.000 0.965 502 F CB 0.973 39.796 39.000 -0.294 0.000 1.232 502 F HN 0.098 nan 8.300 nan 0.000 0.461 503 N N 3.490 122.334 118.700 0.241 0.000 2.223 503 N HA 0.123 4.864 4.740 0.001 0.000 0.271 503 N C 0.664 176.433 175.510 0.432 0.000 1.315 503 N CA 0.662 53.954 53.050 0.402 0.000 0.835 503 N CB 0.745 39.688 38.487 0.761 0.000 1.066 503 N HN 0.698 nan 8.380 nan 0.000 0.486 504 A N 3.460 126.444 122.820 0.273 0.000 1.824 504 A HA -0.111 4.210 4.320 0.001 0.000 0.215 504 A C 1.515 179.224 177.584 0.208 0.000 1.244 504 A CA 0.925 53.074 52.037 0.187 0.000 0.604 504 A CB -0.437 18.601 19.000 0.063 0.000 0.900 504 A HN 0.737 nan 8.150 nan 0.000 0.455 505 E N -0.434 119.850 120.200 0.140 0.000 2.482 505 E HA -0.022 4.329 4.350 0.001 0.000 0.196 505 E C 1.207 177.840 176.600 0.055 0.000 1.047 505 E CA 0.862 57.312 56.400 0.084 0.000 0.869 505 E CB -0.129 29.609 29.700 0.063 0.000 0.836 505 E HN 0.574 nan 8.360 nan 0.000 0.520 506 T N -0.061 114.576 114.554 0.138 0.000 3.160 506 T HA 0.007 4.358 4.350 0.001 0.000 0.257 506 T C 0.629 175.238 174.700 -0.152 0.000 1.147 506 T CA 0.549 62.670 62.100 0.035 0.000 1.064 506 T CB -0.007 68.936 68.868 0.125 0.000 0.949 506 T HN 0.102 nan 8.240 nan 0.000 0.526 507 F N 1.516 121.357 119.950 -0.182 0.000 2.706 507 F HA 0.244 4.772 4.527 0.001 0.000 0.313 507 F C 1.186 176.713 175.800 -0.455 0.000 1.096 507 F CA -0.554 57.280 58.000 -0.276 0.000 1.219 507 F CB 0.472 39.474 39.000 0.004 0.000 1.051 507 F HN 0.015 nan 8.300 nan 0.000 0.568 508 T N -2.189 112.175 114.554 -0.316 0.000 2.885 508 T HA 0.668 5.018 4.350 0.001 0.000 0.285 508 T C -0.795 173.631 174.700 -0.456 0.000 1.019 508 T CA -0.507 61.435 62.100 -0.264 0.000 1.010 508 T CB 1.748 70.623 68.868 0.011 0.000 1.022 508 T HN -0.126 nan 8.240 nan 0.000 0.466 509 F N 0.874 120.924 119.950 0.167 0.000 2.482 509 F HA 0.434 4.961 4.527 0.001 0.000 0.331 509 F C 1.226 176.875 175.800 -0.252 0.000 1.115 509 F CA -1.149 56.857 58.000 0.010 0.000 0.955 509 F CB 1.286 40.310 39.000 0.040 0.000 1.136 509 F HN 0.581 nan 8.300 nan 0.000 0.452 510 H N 0.882 119.869 119.070 -0.138 0.000 2.730 510 H HA 0.191 4.748 4.556 0.001 0.000 0.376 510 H C 0.681 175.577 175.328 -0.720 0.000 1.299 510 H CA 0.481 56.352 56.048 -0.294 0.000 1.447 510 H CB 1.273 30.949 29.762 -0.142 0.000 1.493 510 H HN 0.822 nan 8.280 nan 0.000 0.619 511 A N 1.285 123.826 122.820 -0.465 0.000 2.235 511 A HA -0.123 4.198 4.320 0.001 0.000 0.208 511 A C 1.546 179.036 177.584 -0.156 0.000 1.172 511 A CA 0.860 52.642 52.037 -0.426 0.000 0.786 511 A CB -0.334 18.669 19.000 0.006 0.000 0.804 511 A HN 0.736 nan 8.150 nan 0.000 0.479 512 D N -0.051 120.288 120.400 -0.101 0.000 2.348 512 D HA -0.114 4.527 4.640 0.001 0.000 0.216 512 D C 1.384 177.648 176.300 -0.060 0.000 0.970 512 D CA 0.332 54.299 54.000 -0.055 0.000 0.889 512 D CB -0.575 40.194 40.800 -0.050 0.000 0.912 512 D HN 0.490 nan 8.370 nan 0.000 0.524 513 I N 0.298 120.807 120.570 -0.103 0.000 2.756 513 I HA -0.222 3.949 4.170 0.001 0.000 0.262 513 I C 1.156 177.246 176.117 -0.045 0.000 1.225 513 I CA 0.602 61.857 61.300 -0.075 0.000 1.472 513 I CB 0.099 38.031 38.000 -0.114 0.000 1.094 513 I HN 0.076 nan 8.210 nan 0.000 0.454 514 c N -0.263 118.325 118.600 -0.020 0.000 2.495 514 c HA -0.015 4.556 4.570 0.001 0.000 0.275 514 c C 2.756 176.844 174.090 -0.003 0.000 1.392 514 c CA 0.851 57.185 56.329 0.009 0.000 1.766 514 c CB -1.621 40.920 42.510 0.052 0.000 1.933 514 c HN 0.627 nan 8.230 nan 0.000 0.519 515 T N -0.775 113.773 114.554 -0.010 0.000 3.055 515 T HA 0.142 4.492 4.350 0.001 0.000 0.265 515 T C 0.563 175.256 174.700 -0.012 0.000 1.111 515 T CA 0.658 62.752 62.100 -0.009 0.000 1.118 515 T CB -0.346 68.517 68.868 -0.010 0.000 0.909 515 T HN 0.421 nan 8.240 nan 0.000 0.501 516 L N 2.184 123.396 121.223 -0.018 0.000 2.454 516 L HA 0.485 4.826 4.340 0.001 0.000 0.256 516 L C 1.082 177.939 176.870 -0.022 0.000 1.136 516 L CA -1.078 53.751 54.840 -0.019 0.000 0.804 516 L CB 0.864 42.911 42.059 -0.021 0.000 1.181 516 L HN 0.245 nan 8.230 nan 0.000 0.469 517 S N -0.839 114.848 115.700 -0.021 0.000 2.655 517 S HA 0.080 4.551 4.470 0.001 0.000 0.265 517 S C 0.751 175.328 174.600 -0.038 0.000 1.240 517 S CA -0.397 57.789 58.200 -0.025 0.000 0.986 517 S CB 1.394 64.584 63.200 -0.018 0.000 0.985 517 S HN 0.648 nan 8.310 nan 0.000 0.562 518 E N 1.129 121.301 120.200 -0.046 0.000 2.012 518 E HA -0.181 4.170 4.350 0.001 0.000 0.197 518 E C 1.821 178.379 176.600 -0.069 0.000 1.007 518 E CA 2.025 58.383 56.400 -0.070 0.000 0.816 518 E CB -0.587 29.068 29.700 -0.076 0.000 0.762 518 E HN 0.710 nan 8.360 nan 0.000 0.451 519 K N 0.081 120.454 120.400 -0.045 0.000 2.049 519 K HA -0.276 4.044 4.320 0.001 0.000 0.219 519 K C 2.296 178.886 176.600 -0.016 0.000 1.056 519 K CA 2.265 58.538 56.287 -0.023 0.000 0.946 519 K CB -0.335 32.162 32.500 -0.004 0.000 0.723 519 K HN 0.293 nan 8.250 nan 0.000 0.453 520 E N -0.096 120.094 120.200 -0.017 0.000 2.110 520 E HA -0.207 4.144 4.350 0.001 0.000 0.193 520 E C 2.193 178.782 176.600 -0.018 0.000 0.988 520 E CA 0.850 57.244 56.400 -0.011 0.000 0.804 520 E CB -0.054 29.639 29.700 -0.011 0.000 0.745 520 E HN 0.221 nan 8.360 nan 0.000 0.458 521 R N 0.840 121.315 120.500 -0.041 0.000 2.075 521 R HA -0.144 4.197 4.340 0.001 0.000 0.232 521 R C 2.289 178.556 176.300 -0.055 0.000 1.126 521 R CA 1.358 57.420 56.100 -0.063 0.000 0.963 521 R CB 0.097 30.347 30.300 -0.084 0.000 0.858 521 R HN 0.212 nan 8.270 nan 0.000 0.435 522 Q N 0.014 119.784 119.800 -0.050 0.000 2.046 522 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 522 Q C 2.158 178.215 176.000 0.095 0.000 0.975 522 Q CA 1.549 57.359 55.803 0.012 0.000 0.836 522 Q CB -0.077 28.642 28.738 -0.031 0.000 0.896 522 Q HN 0.391 nan 8.270 nan 0.000 0.428 523 I N 0.839 121.443 120.570 0.056 0.000 2.423 523 I HA -0.284 3.887 4.170 0.001 0.000 0.254 523 I C 2.276 178.416 176.117 0.038 0.000 1.151 523 I CA 1.011 62.341 61.300 0.049 0.000 1.421 523 I CB -0.178 37.840 38.000 0.029 0.000 1.079 523 I HN 0.104 nan 8.210 nan 0.000 0.431 524 K N 0.988 121.409 120.400 0.035 0.000 2.062 524 K HA -0.104 4.216 4.320 0.001 0.000 0.205 524 K C 2.059 178.699 176.600 0.067 0.000 1.051 524 K CA 1.131 57.456 56.287 0.063 0.000 0.941 524 K CB -0.167 32.380 32.500 0.077 0.000 0.719 524 K HN 0.347 nan 8.250 nan 0.000 0.440 525 K N 0.981 121.400 120.400 0.031 0.000 2.147 525 K HA -0.156 4.165 4.320 0.001 0.000 0.205 525 K C 2.208 178.838 176.600 0.050 0.000 1.049 525 K CA 1.244 57.558 56.287 0.045 0.000 0.936 525 K CB -0.018 32.551 32.500 0.114 0.000 0.722 525 K HN 0.229 nan 8.250 nan 0.000 0.446 526 Q N -0.113 119.723 119.800 0.059 0.000 2.245 526 Q HA -0.061 4.280 4.340 0.001 0.000 0.201 526 Q C 1.915 177.897 176.000 -0.029 0.000 0.955 526 Q CA 1.289 57.105 55.803 0.021 0.000 0.870 526 Q CB 0.100 28.862 28.738 0.040 0.000 0.945 526 Q HN 0.303 nan 8.270 nan 0.000 0.461 527 T N 0.995 115.526 114.554 -0.038 0.000 2.684 527 T HA -0.206 4.144 4.350 0.001 0.000 0.267 527 T C 1.956 176.549 174.700 -0.179 0.000 1.036 527 T CA 1.375 63.423 62.100 -0.087 0.000 1.148 527 T CB -0.344 68.479 68.868 -0.076 0.000 0.863 527 T HN 0.386 nan 8.240 nan 0.000 0.436 528 A N 1.286 123.970 122.820 -0.227 0.000 1.933 528 A HA -0.009 4.312 4.320 0.001 0.000 0.218 528 A C 2.255 179.697 177.584 -0.236 0.000 1.175 528 A CA 1.209 52.990 52.037 -0.428 0.000 0.628 528 A CB -0.838 17.890 19.000 -0.454 0.000 0.814 528 A HN 0.370 nan 8.150 nan 0.000 0.444 529 L N 0.062 121.233 121.223 -0.086 0.000 2.012 529 L HA -0.139 4.202 4.340 0.001 0.000 0.210 529 L C 2.458 179.295 176.870 -0.056 0.000 1.073 529 L CA 2.009 56.838 54.840 -0.019 0.000 0.748 529 L CB -0.766 41.292 42.059 -0.002 0.000 0.891 529 L HN 0.175 nan 8.230 nan 0.000 0.431 530 V N -0.149 119.716 119.914 -0.082 0.000 2.287 530 V HA -0.275 3.846 4.120 0.001 0.000 0.248 530 V C 2.621 178.642 176.094 -0.122 0.000 1.053 530 V CA 1.946 64.195 62.300 -0.086 0.000 1.027 530 V CB -0.680 31.096 31.823 -0.078 0.000 0.646 530 V HN 0.473 nan 8.190 nan 0.000 0.447 531 E N -0.337 119.747 120.200 -0.193 0.000 2.204 531 E HA -0.115 4.235 4.350 0.001 0.000 0.194 531 E C 2.159 178.505 176.600 -0.424 0.000 0.989 531 E CA 0.840 57.062 56.400 -0.296 0.000 0.824 531 E CB -0.162 29.316 29.700 -0.370 0.000 0.756 531 E HN 0.527 nan 8.360 nan 0.000 0.477 532 L N 0.057 121.190 121.223 -0.151 0.000 2.072 532 L HA -0.134 4.207 4.340 0.001 0.000 0.205 532 L C 2.430 179.281 176.870 -0.032 0.000 1.079 532 L CA 0.600 55.426 54.840 -0.022 0.000 0.752 532 L CB -0.215 41.919 42.059 0.126 0.000 0.906 532 L HN -0.018 nan 8.230 nan 0.000 0.436 533 V N -0.335 119.561 119.914 -0.029 0.000 2.270 533 V HA -0.286 3.835 4.120 0.001 0.000 0.245 533 V C 2.418 178.527 176.094 0.025 0.000 1.043 533 V CA 1.591 63.891 62.300 0.001 0.000 1.014 533 V CB -0.580 31.231 31.823 -0.019 0.000 0.645 533 V HN 0.383 nan 8.190 nan 0.000 0.447 534 K N -0.823 119.566 120.400 -0.018 0.000 2.228 534 K HA -0.241 4.080 4.320 0.001 0.000 0.205 534 K C 2.035 178.867 176.600 0.386 0.000 1.045 534 K CA 1.763 58.109 56.287 0.098 0.000 0.931 534 K CB -0.276 32.273 32.500 0.082 0.000 0.727 534 K HN 0.606 nan 8.250 nan 0.000 0.458 535 H N -0.381 118.765 119.070 0.126 0.000 2.300 535 H HA 0.096 4.653 4.556 0.001 0.000 0.312 535 H C 0.652 176.022 175.328 0.069 0.000 1.057 535 H CA 0.874 56.961 56.048 0.065 0.000 1.380 535 H CB 0.009 29.721 29.762 -0.083 0.000 1.424 535 H HN -0.107 nan 8.280 nan 0.000 0.534 536 K N 1.982 122.493 120.400 0.185 0.000 2.606 536 K HA 0.173 4.493 4.320 0.001 0.000 0.196 536 K C -2.186 174.469 176.600 0.092 0.000 1.048 536 K CA -1.576 54.782 56.287 0.117 0.000 1.017 536 K CB 1.269 33.822 32.500 0.087 0.000 1.413 536 K HN 0.077 nan 8.250 nan 0.000 0.568 537 P HA -0.031 nan 4.420 nan 0.000 0.240 537 P C 0.202 177.535 177.300 0.055 0.000 1.190 537 P CA 0.445 63.587 63.100 0.070 0.000 0.781 537 P CB 0.487 32.235 31.700 0.080 0.000 0.931 538 K N 0.871 121.307 120.400 0.059 0.000 1.974 538 K HA 0.116 4.437 4.320 0.001 0.000 0.211 538 K C 1.288 177.909 176.600 0.036 0.000 1.039 538 K CA 0.919 57.233 56.287 0.045 0.000 0.947 538 K CB -0.630 31.897 32.500 0.045 0.000 0.735 538 K HN -0.035 nan 8.250 nan 0.000 0.441 539 A N 2.630 125.472 122.820 0.037 0.000 2.797 539 A HA 0.126 4.447 4.320 0.001 0.000 0.296 539 A C -0.435 177.168 177.584 0.032 0.000 1.580 539 A CA 0.098 52.154 52.037 0.031 0.000 1.277 539 A CB -0.867 18.151 19.000 0.031 0.000 1.101 539 A HN 0.400 nan 8.150 nan 0.000 0.562 540 T N -0.354 114.217 114.554 0.028 0.000 3.237 540 T HA 0.663 5.014 4.350 0.001 0.000 0.319 540 T C -0.301 174.412 174.700 0.022 0.000 1.037 540 T CA -0.858 61.258 62.100 0.027 0.000 1.048 540 T CB 1.824 70.709 68.868 0.028 0.000 1.081 540 T HN 0.390 nan 8.240 nan 0.000 0.455 541 K N 2.207 122.620 120.400 0.021 0.000 2.712 541 K HA 0.263 4.583 4.320 0.001 0.000 0.311 541 K C 1.716 178.327 176.600 0.020 0.000 1.218 541 K CA 0.184 56.482 56.287 0.019 0.000 0.987 541 K CB -0.357 32.153 32.500 0.017 0.000 3.372 541 K HN 0.722 nan 8.250 nan 0.000 1.126 542 E N 2.321 122.532 120.200 0.018 0.000 2.230 542 E HA -0.106 4.245 4.350 0.001 0.000 0.192 542 E C 1.605 178.216 176.600 0.019 0.000 0.987 542 E CA 0.600 57.011 56.400 0.018 0.000 0.841 542 E CB -0.159 29.550 29.700 0.016 0.000 0.783 542 E HN 0.400 nan 8.360 nan 0.000 0.481 543 Q N 1.341 121.152 119.800 0.019 0.000 2.376 543 Q HA -0.177 4.164 4.340 0.001 0.000 0.211 543 Q C 2.069 178.085 176.000 0.026 0.000 0.986 543 Q CA 1.213 57.027 55.803 0.019 0.000 0.886 543 Q CB -0.408 28.342 28.738 0.019 0.000 0.927 543 Q HN 0.409 nan 8.270 nan 0.000 0.457 544 L N 0.614 121.856 121.223 0.031 0.000 2.023 544 L HA -0.092 4.249 4.340 0.001 0.000 0.205 544 L C 2.740 179.637 176.870 0.045 0.000 1.073 544 L CA 1.460 56.326 54.840 0.043 0.000 0.745 544 L CB -0.407 41.674 42.059 0.038 0.000 0.900 544 L HN 0.209 nan 8.230 nan 0.000 0.435 545 K N 0.222 120.642 120.400 0.033 0.000 2.211 545 K HA -0.190 4.131 4.320 0.001 0.000 0.204 545 K C 2.005 178.624 176.600 0.031 0.000 1.047 545 K CA 1.163 57.469 56.287 0.033 0.000 0.935 545 K CB 0.020 32.534 32.500 0.024 0.000 0.728 545 K HN 0.299 nan 8.250 nan 0.000 0.452 546 A N 0.410 123.242 122.820 0.019 0.000 1.841 546 A HA -0.112 4.209 4.320 0.001 0.000 0.214 546 A C 2.158 179.729 177.584 -0.022 0.000 1.195 546 A CA 1.638 53.676 52.037 0.002 0.000 0.611 546 A CB -0.698 18.300 19.000 -0.002 0.000 0.835 546 A HN 0.141 nan 8.150 nan 0.000 0.443 547 V N -0.574 119.324 119.914 -0.026 0.000 2.594 547 V HA -0.248 3.873 4.120 0.001 0.000 0.253 547 V C 2.521 178.561 176.094 -0.091 0.000 1.069 547 V CA 2.204 64.444 62.300 -0.099 0.000 1.082 547 V CB -0.685 31.122 31.823 -0.026 0.000 0.680 547 V HN 0.618 nan 8.190 nan 0.000 0.469 548 M N 0.250 119.894 119.600 0.074 0.000 2.156 548 M HA -0.062 4.419 4.480 0.001 0.000 0.264 548 M C 1.642 178.051 176.300 0.181 0.000 1.067 548 M CA 1.645 57.068 55.300 0.205 0.000 1.131 548 M CB -0.609 32.082 32.600 0.152 0.000 1.368 548 M HN 0.236 nan 8.290 nan 0.000 0.416 549 D N 0.058 120.516 120.400 0.096 0.000 2.117 549 D HA -0.192 4.449 4.640 0.001 0.000 0.197 549 D C 1.579 177.922 176.300 0.071 0.000 0.987 549 D CA 1.671 55.726 54.000 0.092 0.000 0.829 549 D CB -0.582 40.253 40.800 0.058 0.000 0.961 549 D HN 0.521 nan 8.370 nan 0.000 0.460 550 D N -1.036 119.350 120.400 -0.024 0.000 2.191 550 D HA -0.219 4.422 4.640 0.001 0.000 0.195 550 D C 1.624 177.916 176.300 -0.014 0.000 1.003 550 D CA 1.068 55.005 54.000 -0.104 0.000 0.867 550 D CB -0.038 40.585 40.800 -0.294 0.000 0.926 550 D HN 0.095 nan 8.370 nan 0.000 0.450 551 F N 0.227 120.289 119.950 0.188 0.000 2.270 551 F HA 0.250 4.778 4.527 0.001 0.000 0.295 551 F C 2.383 178.307 175.800 0.206 0.000 1.087 551 F CA 0.669 58.844 58.000 0.291 0.000 1.365 551 F CB -0.991 38.163 39.000 0.256 0.000 1.056 551 F HN -0.008 nan 8.300 nan 0.000 0.506 552 A N 0.455 123.456 122.820 0.303 0.000 1.873 552 A HA -0.172 4.149 4.320 0.001 0.000 0.218 552 A C 2.484 180.130 177.584 0.103 0.000 1.193 552 A CA 2.385 54.517 52.037 0.159 0.000 0.629 552 A CB -1.397 17.689 19.000 0.143 0.000 0.826 552 A HN 0.300 nan 8.150 nan 0.000 0.447 553 A N -0.838 122.053 122.820 0.118 0.000 1.858 553 A HA -0.063 4.258 4.320 0.001 0.000 0.216 553 A C 2.117 179.747 177.584 0.076 0.000 1.190 553 A CA 1.834 53.917 52.037 0.077 0.000 0.617 553 A CB -0.949 18.096 19.000 0.075 0.000 0.827 553 A HN 1.058 nan 8.150 nan 0.000 0.443 554 F N 0.816 120.776 119.950 0.017 0.000 2.161 554 F HA -0.157 4.371 4.527 0.001 0.000 0.300 554 F C 1.956 177.719 175.800 -0.063 0.000 1.089 554 F CA 1.948 59.945 58.000 -0.005 0.000 1.282 554 F CB -0.516 38.528 39.000 0.073 0.000 1.010 554 F HN 0.015 nan 8.300 nan 0.000 0.485 555 V N 0.995 120.609 119.914 -0.500 0.000 2.270 555 V HA -0.227 3.894 4.120 0.001 0.000 0.245 555 V C 2.539 178.438 176.094 -0.325 0.000 1.043 555 V CA 2.201 64.179 62.300 -0.536 0.000 1.014 555 V CB -0.654 31.008 31.823 -0.269 0.000 0.645 555 V HN 0.307 nan 8.190 nan 0.000 0.447 556 E N 0.113 120.204 120.200 -0.182 0.000 2.077 556 E HA -0.253 4.098 4.350 0.001 0.000 0.193 556 E C 2.161 178.675 176.600 -0.144 0.000 0.989 556 E CA 1.363 57.690 56.400 -0.121 0.000 0.800 556 E CB -0.255 29.404 29.700 -0.067 0.000 0.746 556 E HN 0.567 nan 8.360 nan 0.000 0.452 557 K N 0.400 120.700 120.400 -0.167 0.000 1.985 557 K HA -0.128 4.193 4.320 0.001 0.000 0.210 557 K C 2.292 178.753 176.600 -0.232 0.000 1.047 557 K CA 1.713 57.910 56.287 -0.149 0.000 0.932 557 K CB -0.198 32.248 32.500 -0.090 0.000 0.716 557 K HN 0.106 nan 8.250 nan 0.000 0.439 558 c N 0.413 118.737 118.600 -0.460 0.000 2.422 558 c HA -0.091 4.479 4.570 0.001 0.000 0.279 558 c C 2.863 176.733 174.090 -0.366 0.000 1.305 558 c CA 0.398 56.352 56.329 -0.625 0.000 1.757 558 c CB -0.919 40.669 42.510 -1.536 0.000 1.962 558 c HN 0.669 nan 8.230 nan 0.000 0.499 559 c N 0.228 118.698 118.600 -0.216 0.000 2.435 559 c HA -0.055 4.516 4.570 0.001 0.000 0.279 559 c C 1.635 175.712 174.090 -0.021 0.000 1.321 559 c CA 0.870 57.202 56.329 0.005 0.000 1.752 559 c CB -1.116 41.415 42.510 0.036 0.000 1.959 559 c HN 0.579 nan 8.230 nan 0.000 0.500 560 K N 0.752 121.115 120.400 -0.062 0.000 3.141 560 K HA 0.385 4.705 4.320 0.001 0.000 0.248 560 K C 0.536 177.108 176.600 -0.046 0.000 1.282 560 K CA -0.013 56.249 56.287 -0.042 0.000 1.251 560 K CB 0.244 32.719 32.500 -0.042 0.000 1.533 560 K HN 0.402 nan 8.250 nan 0.000 0.409 561 A N 0.607 123.402 122.820 -0.042 0.000 2.474 561 A HA 0.096 4.417 4.320 0.001 0.000 0.221 561 A C -0.453 177.127 177.584 -0.007 0.000 1.298 561 A CA -0.318 51.697 52.037 -0.036 0.000 1.008 561 A CB 0.301 19.260 19.000 -0.069 0.000 1.217 561 A HN 0.456 nan 8.150 nan 0.000 0.553 562 D N 2.343 122.748 120.400 0.008 0.000 2.890 562 D HA -0.134 4.507 4.640 0.001 0.000 0.226 562 D C -0.326 175.990 176.300 0.027 0.000 1.207 562 D CA 1.635 55.648 54.000 0.022 0.000 0.764 562 D CB -0.699 40.110 40.800 0.015 0.000 0.948 562 D HN 0.779 nan 8.370 nan 0.000 0.404 563 D N -1.118 119.307 120.400 0.042 0.000 2.616 563 D HA 0.337 4.978 4.640 0.001 0.000 0.260 563 D C 0.372 176.711 176.300 0.064 0.000 1.158 563 D CA -0.800 53.228 54.000 0.048 0.000 1.085 563 D CB 0.770 41.599 40.800 0.048 0.000 1.222 563 D HN -0.209 nan 8.370 nan 0.000 0.626 564 K N 0.141 120.580 120.400 0.066 0.000 3.127 564 K HA 0.162 4.483 4.320 0.001 0.000 0.236 564 K C -0.421 176.236 176.600 0.095 0.000 1.271 564 K CA -0.360 55.969 56.287 0.070 0.000 1.224 564 K CB -0.538 31.995 32.500 0.054 0.000 1.482 564 K HN 0.566 nan 8.250 nan 0.000 0.435 565 E N -0.597 119.683 120.200 0.133 0.000 2.494 565 E HA -0.271 4.080 4.350 0.001 0.000 0.249 565 E C 0.222 176.941 176.600 0.198 0.000 1.184 565 E CA 1.019 57.540 56.400 0.202 0.000 0.727 565 E CB -1.646 28.141 29.700 0.146 0.000 1.281 565 E HN 0.354 nan 8.360 nan 0.000 0.405 566 T N -0.438 114.202 114.554 0.143 0.000 2.706 566 T HA -0.165 4.185 4.350 0.001 0.000 0.255 566 T C 2.151 176.931 174.700 0.134 0.000 1.048 566 T CA 1.376 63.543 62.100 0.112 0.000 1.153 566 T CB -0.396 68.515 68.868 0.072 0.000 0.865 566 T HN 0.710 nan 8.240 nan 0.000 0.414 567 c N 0.859 119.515 118.600 0.094 0.000 2.437 567 c HA 0.104 4.675 4.570 0.001 0.000 0.283 567 c C 2.297 176.511 174.090 0.207 0.000 1.424 567 c CA -0.349 56.035 56.329 0.092 0.000 1.782 567 c CB -2.230 40.286 42.510 0.010 0.000 1.833 567 c HN 0.296 nan 8.230 nan 0.000 0.532 568 F N 2.453 122.552 119.950 0.249 0.000 2.102 568 F HA 0.046 4.574 4.527 0.001 0.000 0.298 568 F C 2.763 178.734 175.800 0.285 0.000 1.105 568 F CA 1.982 60.195 58.000 0.356 0.000 1.239 568 F CB -0.943 38.170 39.000 0.188 0.000 0.991 568 F HN 0.287 nan 8.300 nan 0.000 0.474 569 A N -0.445 122.578 122.820 0.338 0.000 1.843 569 A HA -0.089 4.232 4.320 0.001 0.000 0.213 569 A C 2.228 179.899 177.584 0.145 0.000 1.202 569 A CA 1.285 53.434 52.037 0.187 0.000 0.607 569 A CB -0.674 18.393 19.000 0.112 0.000 0.847 569 A HN 0.223 nan 8.150 nan 0.000 0.445 570 E N 0.068 120.344 120.200 0.127 0.000 2.051 570 E HA -0.152 4.199 4.350 0.001 0.000 0.192 570 E C 1.619 178.264 176.600 0.074 0.000 0.991 570 E CA 1.299 57.749 56.400 0.084 0.000 0.799 570 E CB -0.181 29.561 29.700 0.069 0.000 0.748 570 E HN 0.600 nan 8.360 nan 0.000 0.449 571 E N -0.663 119.597 120.200 0.100 0.000 2.472 571 E HA 0.070 4.421 4.350 0.001 0.000 0.196 571 E C 1.873 178.456 176.600 -0.029 0.000 1.033 571 E CA 0.418 56.852 56.400 0.057 0.000 0.886 571 E CB 0.025 29.779 29.700 0.091 0.000 0.944 571 E HN 0.245 nan 8.360 nan 0.000 0.492 572 G N 1.815 110.636 108.800 0.036 0.000 2.421 572 G HA2 -0.288 3.673 3.960 0.001 0.000 0.217 572 G HA3 -0.288 3.673 3.960 0.001 0.000 0.217 572 G C 1.700 176.607 174.900 0.012 0.000 1.143 572 G CA 0.769 45.842 45.100 -0.046 0.000 0.784 572 G HN 0.206 nan 8.290 nan 0.000 0.541 573 K N 0.798 121.221 120.400 0.038 0.000 2.089 573 K HA -0.146 4.175 4.320 0.001 0.000 0.210 573 K C 2.374 178.979 176.600 0.009 0.000 1.048 573 K CA 1.332 57.635 56.287 0.026 0.000 0.926 573 K CB 0.013 32.525 32.500 0.020 0.000 0.714 573 K HN 0.059 nan 8.250 nan 0.000 0.448 574 K N 0.367 120.760 120.400 -0.012 0.000 2.211 574 K HA -0.042 4.279 4.320 0.001 0.000 0.203 574 K C 2.040 178.622 176.600 -0.030 0.000 1.050 574 K CA 1.077 57.350 56.287 -0.022 0.000 0.945 574 K CB -0.254 32.228 32.500 -0.030 0.000 0.732 574 K HN 0.274 nan 8.250 nan 0.000 0.451 575 L N 0.857 122.051 121.223 -0.048 0.000 2.044 575 L HA -0.102 4.239 4.340 0.001 0.000 0.205 575 L C 2.444 179.371 176.870 0.095 0.000 1.075 575 L CA 1.003 55.819 54.840 -0.040 0.000 0.747 575 L CB -1.099 40.920 42.059 -0.066 0.000 0.903 575 L HN -0.061 nan 8.230 nan 0.000 0.435 576 V N -2.027 117.988 119.914 0.168 0.000 2.490 576 V HA -0.177 3.944 4.120 0.001 0.000 0.250 576 V C 2.542 178.731 176.094 0.158 0.000 1.061 576 V CA 1.544 63.986 62.300 0.236 0.000 1.064 576 V CB -1.204 30.750 31.823 0.219 0.000 0.670 576 V HN 0.311 nan 8.190 nan 0.000 0.461 577 A N 0.905 123.763 122.820 0.063 0.000 1.840 577 A HA 0.232 4.553 4.320 0.001 0.000 0.214 577 A C 2.495 180.102 177.584 0.038 0.000 1.198 577 A CA 2.016 54.069 52.037 0.027 0.000 0.608 577 A CB -1.189 17.809 19.000 -0.002 0.000 0.839 577 A HN 0.910 nan 8.150 nan 0.000 0.443 578 A N 0.268 123.100 122.820 0.020 0.000 1.969 578 A HA -0.051 4.270 4.320 0.001 0.000 0.218 578 A C 2.472 180.066 177.584 0.016 0.000 1.169 578 A CA 2.270 54.309 52.037 0.004 0.000 0.635 578 A CB -0.849 18.135 19.000 -0.027 0.000 0.810 578 A HN 0.857 nan 8.150 nan 0.000 0.445 579 S N -0.842 114.883 115.700 0.042 0.000 2.335 579 S HA -0.217 4.253 4.470 0.001 0.000 0.217 579 S C 2.022 176.674 174.600 0.087 0.000 1.032 579 S CA 1.183 59.420 58.200 0.062 0.000 0.985 579 S CB -0.662 62.613 63.200 0.125 0.000 0.896 579 S HN 0.495 nan 8.310 nan 0.000 0.445 580 Q N 1.765 121.650 119.800 0.142 0.000 2.248 580 Q HA -0.124 4.217 4.340 0.001 0.000 0.208 580 Q C 2.186 178.247 176.000 0.103 0.000 0.984 580 Q CA 1.650 57.553 55.803 0.168 0.000 0.875 580 Q CB -0.758 28.190 28.738 0.349 0.000 0.910 580 Q HN 0.692 nan 8.270 nan 0.000 0.433 581 A N 0.885 123.748 122.820 0.072 0.000 1.821 581 A HA 0.114 4.435 4.320 0.001 0.000 0.215 581 A C 1.407 179.014 177.584 0.039 0.000 1.216 581 A CA 1.350 53.414 52.037 0.044 0.000 0.615 581 A CB -1.209 17.808 19.000 0.028 0.000 0.862 581 A HN 0.471 nan 8.150 nan 0.000 0.450 582 A N 0.000 122.839 122.820 0.031 0.000 2.254 582 A HA 0.000 4.321 4.320 0.001 0.000 0.244 582 A CA 0.000 52.052 52.037 0.025 0.000 0.836 582 A CB 0.000 19.007 19.000 0.012 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486