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 2ibm_1_B DATA FIRST_RESID 11 DATA SEQUENCE PTKRTLNRYE KIANDIDAIR GDYENLSDDA LKHKTIEFKE RLEKGATTDD DATA SEQUENCE LLVEAFAVVR EASRRVTGMF PFKVQLMGGV ALHDGNIAEM KTGEGKTLTS DATA SEQUENCE TLPVYLNALT GKGVHVVTVN EYLASRDAEQ MGKIFEFLGL TVGLNLNSMS DATA SEQUENCE KDEKREAYAA DITYSTNNEL GFDYLRDNMV LYKEQMVQRP LHFAVIDEVD DATA SEQUENCE SILIDEARTP LIISGQAAKS TKLYVQANAF VRTLKAEKDY TYDIKTKAVQ DATA SEQUENCE LTEEGMTKAE KAFGIDNLFD VKHVALNHHI NQALKAHVAM QKDVDYVVED DATA SEQUENCE GQVVIVDSFT GRLMKGRRYS EGLHQAIEAK EGLEIQNESM TLATITFQNY DATA SEQUENCE FRMYEKLAGM TGTAKTEEEE FRNIYNMQVV TIPTNRPVVR DDRPDLIYRT DATA SEQUENCE MEGKFKAVAE DVAQRYMTGQ PVLVGTVAVE TSELISKLLK NKGIPHQVLN DATA SEQUENCE AKNHEREAQI IEEAGQKGAV TIATNMAGRG TDIKLGEGVK ELGGLAVVGT DATA SEQUENCE ERHESRRIDN QLRGRSGRQG DPGITQFYLS MEDELMRRFG AERTMAMLDR DATA SEQUENCE FGMDDSTPIQ SKMVSRAVES SQKRVEGNNF DSRKQLLQYD DVLRQQREVI DATA SEQUENCE YKQRFEVIDS ENLREIVENM IKSSLERAIA AYTPREELPE EWKLDGLVDL DATA SEQUENCE INTTYLDEGA LEKSDIFGKE PDEMLELIMD RIITKYNEKE EQFGKEQMRE DATA SEQUENCE FEKVIVLRAV DSKWMDHIDA MDQLRQGIHL RAYAQTNPLR EYQMEGFAMF DATA SEQUENCE EHMIESIEDE VAKFVMKAEI 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 11 P HA 0.000 nan 4.420 nan 0.000 0.216 11 P C 0.000 177.278 177.300 -0.037 0.000 1.155 11 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 11 P CB 0.000 31.684 31.700 -0.026 0.000 0.726 12 T N 1.760 116.295 114.554 -0.033 0.000 2.840 12 T HA -0.316 4.009 4.350 -0.042 0.000 0.255 12 T C 1.674 176.337 174.700 -0.062 0.000 1.037 12 T CA 2.382 64.457 62.100 -0.041 0.000 1.162 12 T CB -0.381 68.475 68.868 -0.020 0.000 0.833 12 T HN 0.425 nan 8.240 nan 0.000 0.486 13 K N 0.332 120.702 120.400 -0.050 0.000 2.032 13 K HA -0.143 4.152 4.320 -0.042 0.000 0.209 13 K C 2.619 179.170 176.600 -0.082 0.000 1.048 13 K CA 1.633 57.889 56.287 -0.052 0.000 0.927 13 K CB -0.201 32.279 32.500 -0.034 0.000 0.712 13 K HN 0.396 nan 8.250 nan 0.000 0.441 14 R N 0.434 120.881 120.500 -0.089 0.000 2.092 14 R HA -0.113 4.202 4.340 -0.042 0.000 0.231 14 R C 1.807 177.988 176.300 -0.198 0.000 1.119 14 R CA 1.862 57.895 56.100 -0.111 0.000 0.970 14 R CB -0.408 29.840 30.300 -0.087 0.000 0.864 14 R HN 0.060 nan 8.270 nan 0.000 0.440 15 T N 2.922 117.330 114.554 -0.244 0.000 2.652 15 T HA -0.134 4.191 4.350 -0.042 0.000 0.267 15 T C 1.798 176.015 174.700 -0.806 0.000 1.039 15 T CA 1.940 63.758 62.100 -0.469 0.000 1.153 15 T CB -0.195 68.493 68.868 -0.300 0.000 0.863 15 T HN 0.418 nan 8.240 nan 0.000 0.428 16 L N -0.053 120.932 121.223 -0.397 0.000 2.131 16 L HA 0.103 4.418 4.340 -0.042 0.000 0.206 16 L C 2.064 178.866 176.870 -0.114 0.000 1.087 16 L CA 1.597 56.315 54.840 -0.202 0.000 0.767 16 L CB -1.192 40.883 42.059 0.027 0.000 0.917 16 L HN 0.242 nan 8.230 nan 0.000 0.441 17 N N 0.630 119.264 118.700 -0.111 0.000 2.192 17 N HA -0.217 4.498 4.740 -0.042 0.000 0.188 17 N C 2.099 177.575 175.510 -0.056 0.000 1.013 17 N CA 1.274 54.290 53.050 -0.056 0.000 0.863 17 N CB -0.120 38.336 38.487 -0.052 0.000 0.990 17 N HN 0.350 nan 8.380 nan 0.000 0.430 18 R N 0.425 120.842 120.500 -0.140 0.000 2.081 18 R HA -0.124 4.191 4.340 -0.042 0.000 0.235 18 R C 1.681 178.007 176.300 0.044 0.000 1.131 18 R CA 1.276 57.319 56.100 -0.094 0.000 0.960 18 R CB -0.187 30.010 30.300 -0.172 0.000 0.856 18 R HN 0.438 nan 8.270 nan 0.000 0.436 19 Y N 0.335 120.638 120.300 0.004 0.000 2.224 19 Y HA -0.217 4.308 4.550 -0.043 0.000 0.289 19 Y C 2.405 178.317 175.900 0.020 0.000 1.146 19 Y CA 0.591 58.698 58.100 0.012 0.000 1.182 19 Y CB -0.106 38.368 38.460 0.023 0.000 0.983 19 Y HN 0.280 nan 8.280 nan 0.000 0.524 20 E N 0.928 121.226 120.200 0.164 0.000 2.063 20 E HA -0.375 3.950 4.350 -0.042 0.000 0.221 20 E C 2.127 178.780 176.600 0.087 0.000 1.052 20 E CA 2.207 58.667 56.400 0.099 0.000 0.891 20 E CB -0.170 29.564 29.700 0.056 0.000 0.792 20 E HN 0.172 nan 8.360 nan 0.000 0.482 21 K N 0.770 121.210 120.400 0.066 0.000 2.034 21 K HA -0.186 4.108 4.320 -0.042 0.000 0.214 21 K C 1.851 178.485 176.600 0.057 0.000 1.051 21 K CA 1.772 58.090 56.287 0.051 0.000 0.931 21 K CB -0.475 32.044 32.500 0.031 0.000 0.715 21 K HN 0.168 nan 8.250 nan 0.000 0.446 22 I N 0.745 121.359 120.570 0.073 0.000 2.700 22 I HA -0.124 4.020 4.170 -0.042 0.000 0.261 22 I C 2.152 178.295 176.117 0.044 0.000 1.219 22 I CA 1.345 62.671 61.300 0.043 0.000 1.463 22 I CB -1.633 36.394 38.000 0.045 0.000 1.092 22 I HN 0.364 nan 8.210 nan 0.000 0.452 23 A N 0.876 123.744 122.820 0.081 0.000 1.887 23 A HA -0.058 4.237 4.320 -0.042 0.000 0.212 23 A C 2.007 179.647 177.584 0.093 0.000 1.198 23 A CA 0.632 52.726 52.037 0.095 0.000 0.628 23 A CB -0.501 18.564 19.000 0.108 0.000 0.847 23 A HN 0.286 nan 8.150 nan 0.000 0.449 24 N N 1.301 120.050 118.700 0.082 0.000 2.247 24 N HA -0.154 4.560 4.740 -0.042 0.000 0.189 24 N C 0.869 176.423 175.510 0.074 0.000 1.009 24 N CA 1.671 54.767 53.050 0.076 0.000 0.872 24 N CB -0.302 38.222 38.487 0.061 0.000 0.980 24 N HN 0.515 nan 8.380 nan 0.000 0.436 25 D N 0.206 120.646 120.400 0.068 0.000 2.137 25 D HA 0.033 4.648 4.640 -0.042 0.000 0.202 25 D C 2.129 178.486 176.300 0.094 0.000 0.970 25 D CA 0.258 54.298 54.000 0.067 0.000 0.837 25 D CB -0.262 40.566 40.800 0.046 0.000 0.981 25 D HN 0.263 nan 8.370 nan 0.000 0.475 26 I N 1.381 122.011 120.570 0.101 0.000 2.151 26 I HA -0.305 3.840 4.170 -0.042 0.000 0.243 26 I C 2.183 178.398 176.117 0.162 0.000 1.080 26 I CA 1.533 62.913 61.300 0.134 0.000 1.339 26 I CB -0.180 37.900 38.000 0.133 0.000 1.039 26 I HN -0.064 nan 8.210 nan 0.000 0.409 27 D N 0.910 121.399 120.400 0.149 0.000 2.144 27 D HA -0.143 4.471 4.640 -0.042 0.000 0.200 27 D C 2.125 178.501 176.300 0.127 0.000 0.978 27 D CA 1.368 55.464 54.000 0.161 0.000 0.833 27 D CB 0.032 40.919 40.800 0.145 0.000 0.961 27 D HN 0.286 nan 8.370 nan 0.000 0.470 28 A N 0.717 123.599 122.820 0.102 0.000 1.978 28 A HA -0.109 4.185 4.320 -0.042 0.000 0.220 28 A C 2.370 179.999 177.584 0.074 0.000 1.170 28 A CA 1.660 53.742 52.037 0.075 0.000 0.636 28 A CB -1.014 18.023 19.000 0.061 0.000 0.810 28 A HN 0.594 nan 8.150 nan 0.000 0.448 29 I N -3.125 117.515 120.570 0.116 0.000 3.793 29 I HA 0.072 4.217 4.170 -0.042 0.000 0.315 29 I C 1.992 178.202 176.117 0.156 0.000 1.275 29 I CA 0.610 61.977 61.300 0.111 0.000 1.214 29 I CB -0.253 37.866 38.000 0.198 0.000 1.018 29 I HN 0.238 nan 8.210 nan 0.000 0.439 30 R N 2.827 123.450 120.500 0.205 0.000 2.154 30 R HA -0.165 4.150 4.340 -0.042 0.000 0.248 30 R C 1.835 178.228 176.300 0.156 0.000 1.155 30 R CA 2.269 58.521 56.100 0.255 0.000 0.979 30 R CB -1.336 29.103 30.300 0.231 0.000 0.869 30 R HN 0.459 nan 8.270 nan 0.000 0.452 31 G N 0.757 109.589 108.800 0.053 0.000 2.421 31 G HA2 -0.194 3.741 3.960 -0.042 0.000 0.217 31 G HA3 -0.194 3.741 3.960 -0.042 0.000 0.217 31 G C 0.822 175.681 174.900 -0.069 0.000 1.143 31 G CA 0.620 45.719 45.100 -0.002 0.000 0.784 31 G HN 0.363 nan 8.290 nan 0.000 0.541 32 D N -0.251 120.033 120.400 -0.194 0.000 2.263 32 D HA -0.047 4.568 4.640 -0.042 0.000 0.208 32 D C 1.049 177.034 176.300 -0.526 0.000 0.971 32 D CA 0.779 54.521 54.000 -0.429 0.000 0.867 32 D CB -0.126 40.264 40.800 -0.683 0.000 0.929 32 D HN 0.591 nan 8.370 nan 0.000 0.492 33 Y N -0.166 120.168 120.300 0.058 0.000 2.557 33 Y HA 0.229 4.754 4.550 -0.041 0.000 0.247 33 Y C 1.893 177.829 175.900 0.061 0.000 1.164 33 Y CA -0.485 57.654 58.100 0.064 0.000 1.218 33 Y CB 0.299 38.807 38.460 0.081 0.000 1.210 33 Y HN -0.149 nan 8.280 nan 0.000 0.529 34 E N 2.007 122.280 120.200 0.121 0.000 2.136 34 E HA -0.224 4.101 4.350 -0.042 0.000 0.202 34 E C -0.158 176.484 176.600 0.069 0.000 1.019 34 E CA 1.476 57.920 56.400 0.075 0.000 0.819 34 E CB 0.014 29.727 29.700 0.021 0.000 0.739 34 E HN 0.512 nan 8.360 nan 0.000 0.458 35 N N -0.559 118.180 118.700 0.065 0.000 2.542 35 N HA 0.292 5.007 4.740 -0.042 0.000 0.288 35 N C -1.292 174.258 175.510 0.067 0.000 1.115 35 N CA -0.321 52.764 53.050 0.058 0.000 0.924 35 N CB 1.077 39.582 38.487 0.030 0.000 1.526 35 N HN -0.049 nan 8.380 nan 0.000 0.515 36 L N 0.068 121.344 121.223 0.087 0.000 2.409 36 L HA 0.568 4.883 4.340 -0.042 0.000 0.255 36 L C 0.409 177.333 176.870 0.090 0.000 1.027 36 L CA -0.663 54.235 54.840 0.096 0.000 0.834 36 L CB 2.072 44.216 42.059 0.143 0.000 1.426 36 L HN 0.628 nan 8.230 nan 0.000 0.411 37 S N -1.090 114.664 115.700 0.090 0.000 2.448 37 S HA 0.292 4.737 4.470 -0.042 0.000 0.271 37 S C -0.740 173.947 174.600 0.144 0.000 1.145 37 S CA -0.540 57.711 58.200 0.085 0.000 1.022 37 S CB 0.640 63.877 63.200 0.062 0.000 1.202 37 S HN 0.602 nan 8.310 nan 0.000 0.479 38 D N 2.077 122.562 120.400 0.142 0.000 2.371 38 D HA 0.149 4.764 4.640 -0.042 0.000 0.256 38 D C 0.190 176.632 176.300 0.237 0.000 1.193 38 D CA 0.681 54.836 54.000 0.259 0.000 0.881 38 D CB 0.535 41.441 40.800 0.177 0.000 1.143 38 D HN 0.596 nan 8.370 nan 0.000 0.473 39 D N 1.697 122.268 120.400 0.284 0.000 3.046 39 D HA -0.264 4.350 4.640 -0.042 0.000 0.210 39 D C 0.718 177.085 176.300 0.112 0.000 1.124 39 D CA 0.927 54.993 54.000 0.110 0.000 0.986 39 D CB -0.450 40.387 40.800 0.062 0.000 1.118 39 D HN 0.506 nan 8.370 nan 0.000 0.416 40 A N -0.408 122.497 122.820 0.142 0.000 2.251 40 A HA 0.227 4.522 4.320 -0.042 0.000 0.209 40 A C 1.747 179.414 177.584 0.138 0.000 1.187 40 A CA 0.539 52.653 52.037 0.128 0.000 0.823 40 A CB 0.267 19.335 19.000 0.114 0.000 0.846 40 A HN 0.212 nan 8.150 nan 0.000 0.486 41 L N -2.337 118.969 121.223 0.140 0.000 3.217 41 L HA 0.412 4.727 4.340 -0.042 0.000 0.288 41 L C 1.226 178.092 176.870 -0.007 0.000 1.202 41 L CA 0.682 55.585 54.840 0.105 0.000 1.027 41 L CB 0.169 42.339 42.059 0.186 0.000 1.427 41 L HN 0.265 nan 8.230 nan 0.000 0.600 42 K N -2.332 118.048 120.400 -0.033 0.000 2.436 42 K HA -0.003 4.292 4.320 -0.042 0.000 0.198 42 K C 1.796 178.394 176.600 -0.003 0.000 1.174 42 K CA 0.120 56.336 56.287 -0.118 0.000 0.951 42 K CB 0.191 32.513 32.500 -0.297 0.000 1.040 42 K HN 0.214 nan 8.250 nan 0.000 0.536 43 H N 2.260 121.281 119.070 -0.082 0.000 2.353 43 H HA -0.086 4.445 4.556 -0.042 0.000 0.298 43 H C 1.478 176.701 175.328 -0.174 0.000 1.103 43 H CA 1.736 57.731 56.048 -0.089 0.000 1.293 43 H CB 0.244 29.969 29.762 -0.061 0.000 1.372 43 H HN -0.012 nan 8.280 nan 0.000 0.501 44 K N -0.389 119.870 120.400 -0.235 0.000 2.044 44 K HA -0.235 4.060 4.320 -0.042 0.000 0.224 44 K C 2.237 178.451 176.600 -0.643 0.000 1.056 44 K CA 2.222 58.159 56.287 -0.584 0.000 0.962 44 K CB -1.162 31.158 32.500 -0.300 0.000 0.730 44 K HN 0.400 nan 8.250 nan 0.000 0.453 45 T N 1.699 116.210 114.554 -0.072 0.000 2.597 45 T HA -0.203 4.122 4.350 -0.042 0.000 0.267 45 T C 1.956 176.716 174.700 0.100 0.000 1.053 45 T CA 1.873 64.100 62.100 0.213 0.000 1.165 45 T CB -0.339 68.647 68.868 0.197 0.000 0.863 45 T HN 0.291 nan 8.240 nan 0.000 0.427 46 I N 0.929 121.518 120.570 0.032 0.000 2.439 46 I HA -0.030 4.115 4.170 -0.042 0.000 0.251 46 I C 2.179 178.292 176.117 -0.008 0.000 1.139 46 I CA 1.370 62.704 61.300 0.056 0.000 1.438 46 I CB -0.370 37.696 38.000 0.110 0.000 1.085 46 I HN 0.263 nan 8.210 nan 0.000 0.427 47 E N 0.255 120.330 120.200 -0.209 0.000 2.070 47 E HA -0.271 4.054 4.350 -0.042 0.000 0.197 47 E C 2.207 178.743 176.600 -0.107 0.000 1.004 47 E CA 2.107 58.314 56.400 -0.322 0.000 0.805 47 E CB -0.462 28.856 29.700 -0.637 0.000 0.744 47 E HN 0.577 nan 8.360 nan 0.000 0.451 48 F N 1.177 121.116 119.950 -0.020 0.000 2.126 48 F HA -0.213 4.289 4.527 -0.041 0.000 0.299 48 F C 2.434 178.232 175.800 -0.004 0.000 1.096 48 F CA 0.767 58.773 58.000 0.009 0.000 1.255 48 F CB -0.090 38.944 39.000 0.058 0.000 0.997 48 F HN -0.076 nan 8.300 nan 0.000 0.479 49 K N 0.324 120.823 120.400 0.166 0.000 2.026 49 K HA -0.182 4.113 4.320 -0.042 0.000 0.208 49 K C 1.862 178.499 176.600 0.062 0.000 1.048 49 K CA 1.675 58.014 56.287 0.086 0.000 0.929 49 K CB -0.250 32.285 32.500 0.058 0.000 0.713 49 K HN 0.324 nan 8.250 nan 0.000 0.439 50 E N 0.396 120.627 120.200 0.052 0.000 2.047 50 E HA -0.135 4.190 4.350 -0.042 0.000 0.191 50 E C 2.082 178.706 176.600 0.040 0.000 0.987 50 E CA 0.946 57.370 56.400 0.039 0.000 0.799 50 E CB 0.062 29.783 29.700 0.035 0.000 0.752 50 E HN 0.190 nan 8.360 nan 0.000 0.449 51 R N 0.410 120.940 120.500 0.050 0.000 2.152 51 R HA -0.080 4.235 4.340 -0.042 0.000 0.232 51 R C 2.371 178.705 176.300 0.057 0.000 1.117 51 R CA 0.690 56.823 56.100 0.056 0.000 0.981 51 R CB -0.199 30.148 30.300 0.079 0.000 0.870 51 R HN 0.167 nan 8.270 nan 0.000 0.451 52 L N 0.375 121.637 121.223 0.065 0.000 2.027 52 L HA -0.182 4.133 4.340 -0.042 0.000 0.206 52 L C 2.235 179.120 176.870 0.025 0.000 1.074 52 L CA 1.425 56.291 54.840 0.043 0.000 0.745 52 L CB -0.314 41.769 42.059 0.040 0.000 0.898 52 L HN 0.159 nan 8.230 nan 0.000 0.433 53 E N 0.173 120.387 120.200 0.023 0.000 2.049 53 E HA -0.255 4.070 4.350 -0.042 0.000 0.198 53 E C 2.156 178.764 176.600 0.013 0.000 1.007 53 E CA 1.489 57.897 56.400 0.014 0.000 0.809 53 E CB 0.047 29.756 29.700 0.015 0.000 0.749 53 E HN 0.277 nan 8.360 nan 0.000 0.450 54 K N -1.613 118.798 120.400 0.018 0.000 2.211 54 K HA -0.095 4.200 4.320 -0.042 0.000 0.204 54 K C 1.424 178.032 176.600 0.014 0.000 1.047 54 K CA 1.168 57.464 56.287 0.016 0.000 0.935 54 K CB 0.282 32.793 32.500 0.019 0.000 0.728 54 K HN 0.353 nan 8.250 nan 0.000 0.452 55 G N -0.320 108.489 108.800 0.015 0.000 3.609 55 G HA2 -0.028 3.907 3.960 -0.042 0.000 0.219 55 G HA3 -0.028 3.907 3.960 -0.042 0.000 0.219 55 G C -0.064 174.844 174.900 0.014 0.000 0.951 55 G CA -0.118 44.989 45.100 0.012 0.000 0.867 55 G HN 0.358 nan 8.290 nan 0.000 0.478 56 A N 1.671 124.504 122.820 0.021 0.000 2.565 56 A HA 0.517 4.812 4.320 -0.042 0.000 0.237 56 A C 1.076 178.670 177.584 0.016 0.000 1.053 56 A CA 1.427 53.477 52.037 0.022 0.000 0.755 56 A CB -0.188 18.834 19.000 0.037 0.000 0.980 56 A HN 1.561 nan 8.150 nan 0.000 0.506 57 T N -0.377 114.184 114.554 0.011 0.000 2.899 57 T HA 0.392 4.717 4.350 -0.042 0.000 0.284 57 T C 1.451 176.157 174.700 0.010 0.000 1.004 57 T CA 0.108 62.214 62.100 0.010 0.000 1.043 57 T CB 0.707 69.581 68.868 0.010 0.000 1.013 57 T HN 1.063 nan 8.240 nan 0.000 0.518 58 T N -0.278 114.294 114.554 0.030 0.000 2.721 58 T HA -0.213 4.112 4.350 -0.042 0.000 0.268 58 T C 1.157 175.855 174.700 -0.004 0.000 1.038 58 T CA 1.921 64.052 62.100 0.053 0.000 1.145 58 T CB -0.860 68.124 68.868 0.193 0.000 0.858 58 T HN 0.730 nan 8.240 nan 0.000 0.459 59 D N 1.388 121.813 120.400 0.041 0.000 2.149 59 D HA -0.025 4.590 4.640 -0.042 0.000 0.201 59 D C 1.955 178.216 176.300 -0.064 0.000 0.972 59 D CA 0.952 54.946 54.000 -0.009 0.000 0.835 59 D CB -0.305 40.517 40.800 0.037 0.000 0.966 59 D HN 0.292 nan 8.370 nan 0.000 0.476 60 D N -0.161 120.220 120.400 -0.032 0.000 2.190 60 D HA -0.103 4.512 4.640 -0.042 0.000 0.200 60 D C 1.680 177.956 176.300 -0.041 0.000 0.992 60 D CA 0.703 54.689 54.000 -0.024 0.000 0.854 60 D CB 0.069 40.869 40.800 0.001 0.000 0.936 60 D HN 0.253 nan 8.370 nan 0.000 0.462 61 L N -0.180 120.994 121.223 -0.082 0.000 2.590 61 L HA 0.112 4.427 4.340 -0.042 0.000 0.227 61 L C 2.054 178.787 176.870 -0.229 0.000 1.099 61 L CA 0.022 54.787 54.840 -0.125 0.000 0.872 61 L CB -0.251 41.706 42.059 -0.171 0.000 1.088 61 L HN 0.052 nan 8.230 nan 0.000 0.479 62 L N 0.925 121.968 121.223 -0.299 0.000 2.026 62 L HA -0.308 4.007 4.340 -0.042 0.000 0.231 62 L C 2.470 179.091 176.870 -0.415 0.000 1.095 62 L CA 2.250 56.785 54.840 -0.509 0.000 0.810 62 L CB -0.598 41.086 42.059 -0.626 0.000 0.909 62 L HN -0.008 nan 8.230 nan 0.000 0.444 63 V N -0.497 119.261 119.914 -0.260 0.000 2.332 63 V HA -0.312 3.783 4.120 -0.042 0.000 0.248 63 V C 2.463 178.559 176.094 0.004 0.000 1.055 63 V CA 2.247 64.475 62.300 -0.121 0.000 1.038 63 V CB -0.856 30.937 31.823 -0.050 0.000 0.651 63 V HN 0.553 nan 8.190 nan 0.000 0.450 64 E N 0.515 120.726 120.200 0.019 0.000 2.015 64 E HA -0.141 4.184 4.350 -0.042 0.000 0.191 64 E C 2.379 178.995 176.600 0.028 0.000 0.991 64 E CA 1.249 57.734 56.400 0.142 0.000 0.802 64 E CB -0.410 29.478 29.700 0.313 0.000 0.759 64 E HN 0.557 nan 8.360 nan 0.000 0.447 65 A N 0.813 123.468 122.820 -0.276 0.000 1.978 65 A HA -0.170 4.124 4.320 -0.042 0.000 0.220 65 A C 1.842 179.406 177.584 -0.033 0.000 1.170 65 A CA 1.065 52.895 52.037 -0.344 0.000 0.636 65 A CB -0.659 18.038 19.000 -0.505 0.000 0.810 65 A HN 0.166 nan 8.150 nan 0.000 0.448 66 F N -0.167 119.654 119.950 -0.214 0.000 2.365 66 F HA -0.002 4.500 4.527 -0.042 0.000 0.300 66 F C 2.494 178.172 175.800 -0.203 0.000 1.090 66 F CA 0.475 58.364 58.000 -0.185 0.000 1.408 66 F CB -0.303 38.609 39.000 -0.147 0.000 1.060 66 F HN 0.277 nan 8.300 nan 0.000 0.534 67 A N -1.274 121.532 122.820 -0.025 0.000 2.195 67 A HA 0.157 4.452 4.320 -0.042 0.000 0.210 67 A C 2.169 179.522 177.584 -0.386 0.000 1.165 67 A CA 0.618 52.581 52.037 -0.122 0.000 0.806 67 A CB -0.622 18.417 19.000 0.064 0.000 0.847 67 A HN 0.116 nan 8.150 nan 0.000 0.482 68 V N -0.554 119.114 119.914 -0.411 0.000 2.256 68 V HA -0.171 3.923 4.120 -0.042 0.000 0.240 68 V C 2.526 178.399 176.094 -0.368 0.000 1.036 68 V CA 1.907 63.954 62.300 -0.422 0.000 1.008 68 V CB -0.864 30.845 31.823 -0.190 0.000 0.648 68 V HN 0.307 nan 8.190 nan 0.000 0.453 69 V N 0.465 120.114 119.914 -0.443 0.000 2.252 69 V HA -0.346 3.749 4.120 -0.042 0.000 0.249 69 V C 2.594 178.444 176.094 -0.407 0.000 1.056 69 V CA 2.629 64.637 62.300 -0.487 0.000 1.022 69 V CB -0.898 30.603 31.823 -0.537 0.000 0.641 69 V HN 0.510 nan 8.190 nan 0.000 0.445 70 R N -0.588 119.659 120.500 -0.423 0.000 2.211 70 R HA -0.218 4.097 4.340 -0.042 0.000 0.240 70 R C 2.259 178.280 176.300 -0.466 0.000 1.144 70 R CA 1.698 57.482 56.100 -0.526 0.000 0.992 70 R CB -0.079 29.898 30.300 -0.538 0.000 0.869 70 R HN 0.589 nan 8.270 nan 0.000 0.462 71 E N -0.306 119.746 120.200 -0.248 0.000 2.099 71 E HA 0.004 4.329 4.350 -0.042 0.000 0.191 71 E C 1.697 178.278 176.600 -0.031 0.000 0.962 71 E CA 0.809 57.182 56.400 -0.045 0.000 0.826 71 E CB 0.029 29.739 29.700 0.017 0.000 0.788 71 E HN 0.350 nan 8.360 nan 0.000 0.461 72 A N 0.826 123.599 122.820 -0.078 0.000 2.024 72 A HA -0.170 4.125 4.320 -0.042 0.000 0.220 72 A C 2.390 179.931 177.584 -0.073 0.000 1.164 72 A CA 1.893 53.912 52.037 -0.030 0.000 0.643 72 A CB -0.658 18.334 19.000 -0.013 0.000 0.806 72 A HN 0.254 nan 8.150 nan 0.000 0.451 73 S N -1.006 114.600 115.700 -0.156 0.000 2.370 73 S HA -0.201 4.244 4.470 -0.042 0.000 0.226 73 S C 2.252 176.792 174.600 -0.099 0.000 1.033 73 S CA 1.472 59.565 58.200 -0.179 0.000 1.011 73 S CB -0.363 62.664 63.200 -0.288 0.000 0.852 73 S HN 0.651 nan 8.310 nan 0.000 0.457 74 R N 0.751 121.232 120.500 -0.031 0.000 2.075 74 R HA -0.025 4.289 4.340 -0.042 0.000 0.232 74 R C 2.330 178.640 176.300 0.018 0.000 1.126 74 R CA 1.288 57.424 56.100 0.061 0.000 0.963 74 R CB -0.222 30.217 30.300 0.232 0.000 0.858 74 R HN 0.423 nan 8.270 nan 0.000 0.435 75 R N -0.314 120.191 120.500 0.007 0.000 2.115 75 R HA -0.049 4.266 4.340 -0.042 0.000 0.230 75 R C 2.264 178.542 176.300 -0.037 0.000 1.111 75 R CA 1.296 57.386 56.100 -0.016 0.000 0.976 75 R CB -0.212 30.077 30.300 -0.019 0.000 0.870 75 R HN 0.099 nan 8.270 nan 0.000 0.445 76 V N 0.481 120.371 119.914 -0.041 0.000 2.426 76 V HA -0.126 3.969 4.120 -0.042 0.000 0.242 76 V C 2.244 178.311 176.094 -0.044 0.000 1.036 76 V CA 2.179 64.451 62.300 -0.046 0.000 1.044 76 V CB 0.150 31.947 31.823 -0.044 0.000 0.688 76 V HN 0.530 nan 8.190 nan 0.000 0.462 77 T N -4.326 110.198 114.554 -0.050 0.000 3.056 77 T HA 0.511 4.836 4.350 -0.042 0.000 0.243 77 T C 1.402 176.084 174.700 -0.031 0.000 0.995 77 T CA 1.162 63.236 62.100 -0.044 0.000 1.091 77 T CB 1.216 70.049 68.868 -0.058 0.000 0.990 77 T HN 0.713 nan 8.240 nan 0.000 0.464 78 G N 2.584 111.367 108.800 -0.028 0.000 3.151 78 G HA2 -0.133 3.801 3.960 -0.042 0.000 0.197 78 G HA3 -0.133 3.801 3.960 -0.042 0.000 0.197 78 G C 0.262 175.159 174.900 -0.005 0.000 1.682 78 G CA -0.349 44.744 45.100 -0.012 0.000 1.205 78 G HN 0.823 nan 8.290 nan 0.000 0.510 79 M N 1.008 120.595 119.600 -0.021 0.000 2.394 79 M HA 0.406 4.861 4.480 -0.042 0.000 0.394 79 M C -0.164 176.101 176.300 -0.059 0.000 1.611 79 M CA 0.391 55.668 55.300 -0.039 0.000 0.941 79 M CB -0.252 32.325 32.600 -0.038 0.000 2.094 79 M HN 0.233 nan 8.290 nan 0.000 0.485 80 F N 6.550 126.339 119.950 -0.267 0.000 2.411 80 F HA 0.528 5.030 4.527 -0.042 0.000 0.355 80 F C -2.120 173.447 175.800 -0.388 0.000 1.117 80 F CA -2.477 55.349 58.000 -0.290 0.000 1.139 80 F CB 0.902 39.729 39.000 -0.288 0.000 1.120 80 F HN 0.444 nan 8.300 nan 0.000 0.493 81 P HA -0.032 nan 4.420 nan 0.000 0.261 81 P C -0.553 176.591 177.300 -0.260 0.000 1.183 81 P CA 0.588 63.455 63.100 -0.388 0.000 0.761 81 P CB 0.168 31.613 31.700 -0.425 0.000 0.785 82 F N 1.907 121.848 119.950 -0.016 0.000 2.373 82 F HA 0.097 4.599 4.527 -0.042 0.000 0.302 82 F C 2.058 177.882 175.800 0.039 0.000 1.247 82 F CA -0.069 57.964 58.000 0.056 0.000 1.169 82 F CB 0.422 39.448 39.000 0.042 0.000 1.309 82 F HN 0.228 nan 8.300 nan 0.000 0.537 83 K N 0.474 121.085 120.400 0.351 0.000 1.973 83 K HA -0.139 4.156 4.320 -0.042 0.000 0.212 83 K C 1.846 178.531 176.600 0.143 0.000 1.047 83 K CA 1.824 58.231 56.287 0.200 0.000 0.937 83 K CB -0.998 31.605 32.500 0.172 0.000 0.721 83 K HN 0.510 nan 8.250 nan 0.000 0.440 84 V N -0.038 119.950 119.914 0.124 0.000 2.370 84 V HA -0.363 3.732 4.120 -0.042 0.000 0.252 84 V C 1.949 178.080 176.094 0.061 0.000 1.068 84 V CA 1.854 64.198 62.300 0.074 0.000 1.061 84 V CB -0.895 30.948 31.823 0.032 0.000 0.656 84 V HN 0.298 nan 8.190 nan 0.000 0.455 85 Q N 0.111 119.960 119.800 0.082 0.000 2.167 85 Q HA 0.003 4.318 4.340 -0.042 0.000 0.202 85 Q C 2.325 178.320 176.000 -0.008 0.000 0.970 85 Q CA 1.815 57.636 55.803 0.030 0.000 0.855 85 Q CB -0.306 28.454 28.738 0.037 0.000 0.911 85 Q HN 0.672 nan 8.270 nan 0.000 0.438 86 L N -0.093 121.146 121.223 0.026 0.000 2.083 86 L HA -0.188 4.126 4.340 -0.042 0.000 0.209 86 L C 2.333 179.255 176.870 0.088 0.000 1.083 86 L CA 1.111 55.994 54.840 0.072 0.000 0.752 86 L CB -0.399 41.729 42.059 0.116 0.000 0.899 86 L HN 0.327 nan 8.230 nan 0.000 0.433 87 M N -0.757 118.852 119.600 0.015 0.000 2.349 87 M HA -0.001 4.454 4.480 -0.042 0.000 0.266 87 M C 2.322 178.504 176.300 -0.196 0.000 1.076 87 M CA 1.279 56.512 55.300 -0.112 0.000 1.126 87 M CB -0.841 31.772 32.600 0.022 0.000 1.392 87 M HN 0.282 nan 8.290 nan 0.000 0.440 88 G N 1.138 109.894 108.800 -0.074 0.000 2.511 88 G HA2 -0.176 3.759 3.960 -0.042 0.000 0.216 88 G HA3 -0.176 3.759 3.960 -0.042 0.000 0.216 88 G C 1.557 176.428 174.900 -0.049 0.000 1.218 88 G CA 1.080 46.141 45.100 -0.067 0.000 0.788 88 G HN 0.513 nan 8.290 nan 0.000 0.560 89 G N -0.053 108.753 108.800 0.010 0.000 2.556 89 G HA2 -0.257 3.677 3.960 -0.042 0.000 0.220 89 G HA3 -0.257 3.677 3.960 -0.042 0.000 0.220 89 G C 1.845 176.953 174.900 0.347 0.000 1.156 89 G CA 1.620 46.800 45.100 0.134 0.000 0.766 89 G HN 0.532 nan 8.290 nan 0.000 0.583 90 V N 1.213 121.227 119.914 0.167 0.000 2.307 90 V HA 0.019 4.114 4.120 -0.042 0.000 0.245 90 V C 3.209 179.190 176.094 -0.188 0.000 1.045 90 V CA 2.515 64.732 62.300 -0.139 0.000 1.024 90 V CB -0.765 30.815 31.823 -0.405 0.000 0.651 90 V HN 0.494 nan 8.190 nan 0.000 0.449 91 A N -0.048 122.512 122.820 -0.433 0.000 1.892 91 A HA -0.213 4.082 4.320 -0.042 0.000 0.218 91 A C 2.173 179.773 177.584 0.027 0.000 1.188 91 A CA 2.373 54.313 52.037 -0.162 0.000 0.631 91 A CB -0.748 18.181 19.000 -0.118 0.000 0.822 91 A HN 0.606 nan 8.150 nan 0.000 0.447 92 L N -1.443 119.811 121.223 0.052 0.000 2.012 92 L HA -0.255 4.060 4.340 -0.042 0.000 0.210 92 L C 2.692 179.687 176.870 0.208 0.000 1.073 92 L CA 1.826 56.747 54.840 0.136 0.000 0.748 92 L CB -0.896 41.256 42.059 0.155 0.000 0.891 92 L HN 0.618 nan 8.230 nan 0.000 0.431 93 H N 0.185 119.325 119.070 0.116 0.000 2.541 93 H HA -0.158 4.372 4.556 -0.042 0.000 0.289 93 H C 0.641 175.945 175.328 -0.039 0.000 1.054 93 H CA 1.155 57.221 56.048 0.030 0.000 1.250 93 H CB 0.166 29.941 29.762 0.023 0.000 1.369 93 H HN 0.385 nan 8.280 nan 0.000 0.578 94 D N -0.390 120.017 120.400 0.012 0.000 2.342 94 D HA 0.104 4.718 4.640 -0.042 0.000 0.221 94 D C 1.257 177.541 176.300 -0.028 0.000 1.101 94 D CA 0.697 54.693 54.000 -0.007 0.000 0.837 94 D CB -0.080 40.792 40.800 0.120 0.000 0.938 94 D HN 0.547 nan 8.370 nan 0.000 0.508 95 G N 1.403 110.176 108.800 -0.046 0.000 2.283 95 G HA2 -0.283 3.651 3.960 -0.042 0.000 0.280 95 G HA3 -0.283 3.651 3.960 -0.042 0.000 0.280 95 G C 0.356 175.281 174.900 0.042 0.000 1.029 95 G CA 0.056 45.160 45.100 0.008 0.000 0.840 95 G HN 0.237 nan 8.290 nan 0.000 0.505 96 N N -0.827 117.901 118.700 0.046 0.000 2.592 96 N HA 0.648 5.362 4.740 -0.042 0.000 0.292 96 N C 0.034 175.532 175.510 -0.020 0.000 1.260 96 N CA -0.705 52.363 53.050 0.029 0.000 0.910 96 N CB 0.851 39.374 38.487 0.061 0.000 1.257 96 N HN -0.022 nan 8.380 nan 0.000 0.569 97 I N 1.220 121.743 120.570 -0.079 0.000 2.328 97 I HA 0.255 4.400 4.170 -0.042 0.000 0.287 97 I C 0.203 176.249 176.117 -0.118 0.000 1.012 97 I CA -0.791 60.412 61.300 -0.163 0.000 1.195 97 I CB 0.412 38.190 38.000 -0.371 0.000 1.350 97 I HN 0.410 nan 8.210 nan 0.000 0.464 98 A N 6.023 128.790 122.820 -0.089 0.000 2.444 98 A HA 0.127 4.422 4.320 -0.042 0.000 0.273 98 A C 0.587 178.122 177.584 -0.081 0.000 1.136 98 A CA -0.190 51.810 52.037 -0.062 0.000 0.799 98 A CB -0.137 18.831 19.000 -0.053 0.000 1.081 98 A HN 0.754 nan 8.150 nan 0.000 0.509 99 E N 3.816 123.978 120.200 -0.063 0.000 2.069 99 E HA 0.333 4.658 4.350 -0.042 0.000 0.254 99 E C -0.515 176.063 176.600 -0.037 0.000 1.088 99 E CA -0.117 56.245 56.400 -0.063 0.000 1.017 99 E CB 0.018 29.679 29.700 -0.065 0.000 1.226 99 E HN 0.742 nan 8.360 nan 0.000 0.458 100 M N 2.338 121.915 119.600 -0.038 0.000 2.367 100 M HA 0.348 4.803 4.480 -0.042 0.000 0.339 100 M C 0.155 176.439 176.300 -0.027 0.000 1.177 100 M CA -0.684 54.600 55.300 -0.027 0.000 1.068 100 M CB 1.279 33.864 32.600 -0.026 0.000 1.602 100 M HN -0.096 nan 8.290 nan 0.000 0.457 101 K N 1.344 121.732 120.400 -0.021 0.000 2.118 101 K HA 0.321 4.616 4.320 -0.042 0.000 0.264 101 K C -0.389 176.201 176.600 -0.017 0.000 1.000 101 K CA -0.312 55.964 56.287 -0.018 0.000 0.929 101 K CB 0.825 33.316 32.500 -0.014 0.000 1.021 101 K HN 0.656 nan 8.250 nan 0.000 0.463 102 T N 0.828 115.374 114.554 -0.014 0.000 2.891 102 T HA 0.092 4.417 4.350 -0.042 0.000 0.296 102 T C 1.042 175.737 174.700 -0.009 0.000 1.025 102 T CA 1.410 63.503 62.100 -0.011 0.000 1.149 102 T CB -0.145 68.720 68.868 -0.006 0.000 1.007 102 T HN 0.773 nan 8.240 nan 0.000 0.528 103 G N 2.927 111.723 108.800 -0.008 0.000 2.160 103 G HA2 -0.203 3.732 3.960 -0.042 0.000 0.244 103 G HA3 -0.203 3.732 3.960 -0.042 0.000 0.244 103 G C 0.424 175.320 174.900 -0.007 0.000 1.022 103 G CA -0.125 44.972 45.100 -0.004 0.000 0.741 103 G HN 0.715 nan 8.290 nan 0.000 0.508 104 E N -0.158 120.037 120.200 -0.008 0.000 2.538 104 E HA 0.337 4.662 4.350 -0.042 0.000 0.207 104 E C 1.495 178.102 176.600 0.012 0.000 1.002 104 E CA 0.432 56.829 56.400 -0.006 0.000 0.952 104 E CB 0.286 29.977 29.700 -0.015 0.000 1.031 104 E HN 1.574 nan 8.360 nan 0.000 0.476 105 G N 2.885 111.691 108.800 0.010 0.000 2.324 105 G HA2 -0.342 3.593 3.960 -0.042 0.000 0.292 105 G HA3 -0.342 3.593 3.960 -0.042 0.000 0.292 105 G C 0.818 175.710 174.900 -0.014 0.000 1.079 105 G CA 0.802 45.907 45.100 0.008 0.000 1.026 105 G HN 0.242 nan 8.290 nan 0.000 0.506 106 K N -0.698 119.687 120.400 -0.024 0.000 2.002 106 K HA -0.090 4.205 4.320 -0.042 0.000 0.209 106 K C 2.729 179.307 176.600 -0.037 0.000 1.048 106 K CA 1.908 58.175 56.287 -0.034 0.000 0.930 106 K CB -0.269 32.207 32.500 -0.040 0.000 0.714 106 K HN 0.382 nan 8.250 nan 0.000 0.438 107 T N 1.975 116.508 114.554 -0.035 0.000 2.737 107 T HA -0.160 4.165 4.350 -0.042 0.000 0.269 107 T C 1.681 176.362 174.700 -0.032 0.000 1.040 107 T CA 1.111 63.196 62.100 -0.025 0.000 1.142 107 T CB -0.217 68.627 68.868 -0.041 0.000 0.861 107 T HN 0.042 nan 8.240 nan 0.000 0.456 108 L N 1.215 122.403 121.223 -0.059 0.000 1.976 108 L HA -0.080 4.235 4.340 -0.042 0.000 0.209 108 L C 2.623 179.419 176.870 -0.122 0.000 1.071 108 L CA 1.977 56.756 54.840 -0.101 0.000 0.746 108 L CB -1.554 40.447 42.059 -0.097 0.000 0.890 108 L HN 0.210 nan 8.230 nan 0.000 0.432 109 T N -0.462 114.033 114.554 -0.098 0.000 2.653 109 T HA -0.302 4.023 4.350 -0.042 0.000 0.267 109 T C 2.082 176.718 174.700 -0.107 0.000 1.037 109 T CA 2.188 64.222 62.100 -0.110 0.000 1.159 109 T CB -0.789 68.040 68.868 -0.066 0.000 0.859 109 T HN 0.693 nan 8.240 nan 0.000 0.449 110 S N 1.909 117.577 115.700 -0.055 0.000 2.372 110 S HA -0.251 4.194 4.470 -0.042 0.000 0.227 110 S C 2.267 176.882 174.600 0.025 0.000 1.044 110 S CA 2.296 60.491 58.200 -0.009 0.000 1.050 110 S CB -1.421 61.796 63.200 0.028 0.000 0.901 110 S HN 0.769 nan 8.310 nan 0.000 0.447 111 T N 0.660 115.209 114.554 -0.009 0.000 2.849 111 T HA 0.027 4.352 4.350 -0.042 0.000 0.270 111 T C 1.779 176.441 174.700 -0.062 0.000 1.066 111 T CA 1.308 63.401 62.100 -0.011 0.000 1.130 111 T CB -0.799 67.859 68.868 -0.349 0.000 0.864 111 T HN 0.418 nan 8.240 nan 0.000 0.481 112 L N 1.565 122.631 121.223 -0.263 0.000 1.973 112 L HA 0.042 4.356 4.340 -0.042 0.000 0.208 112 L C 0.018 176.717 176.870 -0.284 0.000 1.073 112 L CA 1.368 55.846 54.840 -0.603 0.000 0.746 112 L CB -1.329 39.966 42.059 -1.272 0.000 0.891 112 L HN 0.225 nan 8.230 nan 0.000 0.433 113 P HA -0.043 nan 4.420 nan 0.000 0.229 113 P C 1.738 179.288 177.300 0.417 0.000 1.160 113 P CA 0.841 64.180 63.100 0.397 0.000 0.777 113 P CB 0.230 32.210 31.700 0.466 0.000 0.814 114 V N 0.040 120.141 119.914 0.311 0.000 2.229 114 V HA -0.270 3.825 4.120 -0.042 0.000 0.243 114 V C 2.580 178.870 176.094 0.326 0.000 1.042 114 V CA 1.959 64.435 62.300 0.292 0.000 1.000 114 V CB -1.648 30.323 31.823 0.247 0.000 0.637 114 V HN -0.012 nan 8.190 nan 0.000 0.446 115 Y N 0.877 121.393 120.300 0.359 0.000 2.030 115 Y HA -0.367 4.158 4.550 -0.043 0.000 0.272 115 Y C 2.331 178.340 175.900 0.180 0.000 1.185 115 Y CA 2.461 60.752 58.100 0.319 0.000 1.120 115 Y CB -0.622 37.985 38.460 0.245 0.000 0.955 115 Y HN 0.212 nan 8.280 nan 0.000 0.495 116 L N 1.448 122.805 121.223 0.223 0.000 1.971 116 L HA -0.293 4.021 4.340 -0.042 0.000 0.215 116 L C 1.895 178.790 176.870 0.043 0.000 1.072 116 L CA 2.468 57.358 54.840 0.083 0.000 0.758 116 L CB -1.290 40.905 42.059 0.226 0.000 0.889 116 L HN 0.350 nan 8.230 nan 0.000 0.433 117 N N -0.312 118.499 118.700 0.184 0.000 2.573 117 N HA -0.060 4.654 4.740 -0.042 0.000 0.187 117 N C 1.487 177.103 175.510 0.177 0.000 1.107 117 N CA 1.044 54.206 53.050 0.186 0.000 0.918 117 N CB -0.035 38.568 38.487 0.193 0.000 0.966 117 N HN 0.609 nan 8.380 nan 0.000 0.448 118 A N 0.186 123.045 122.820 0.065 0.000 2.095 118 A HA 0.154 4.449 4.320 -0.042 0.000 0.212 118 A C 2.220 179.753 177.584 -0.085 0.000 1.162 118 A CA -0.055 51.983 52.037 0.002 0.000 0.753 118 A CB -0.114 18.853 19.000 -0.055 0.000 0.840 118 A HN 0.096 nan 8.150 nan 0.000 0.468 119 L N 0.466 121.590 121.223 -0.165 0.000 2.012 119 L HA -0.242 4.073 4.340 -0.042 0.000 0.210 119 L C 2.942 179.770 176.870 -0.069 0.000 1.073 119 L CA 1.996 56.748 54.840 -0.148 0.000 0.748 119 L CB -1.335 40.629 42.059 -0.159 0.000 0.891 119 L HN 0.630 nan 8.230 nan 0.000 0.431 120 T N -2.865 111.654 114.554 -0.058 0.000 2.780 120 T HA -0.338 3.987 4.350 -0.042 0.000 0.255 120 T C 1.582 176.237 174.700 -0.074 0.000 1.065 120 T CA 2.148 64.209 62.100 -0.066 0.000 1.155 120 T CB -1.014 67.796 68.868 -0.096 0.000 0.837 120 T HN 0.700 nan 8.240 nan 0.000 0.479 121 G N 1.887 110.647 108.800 -0.067 0.000 3.102 121 G HA2 -0.300 3.635 3.960 -0.042 0.000 0.200 121 G HA3 -0.300 3.635 3.960 -0.042 0.000 0.200 121 G C 0.957 175.824 174.900 -0.054 0.000 1.685 121 G CA 0.536 45.604 45.100 -0.054 0.000 1.299 121 G HN 0.547 nan 8.290 nan 0.000 0.576 122 K N 1.124 121.452 120.400 -0.120 0.000 2.026 122 K HA -0.056 4.238 4.320 -0.042 0.000 0.225 122 K C 1.414 178.027 176.600 0.022 0.000 0.925 122 K CA 2.801 59.007 56.287 -0.135 0.000 1.000 122 K CB -1.425 30.785 32.500 -0.483 0.000 0.806 122 K HN 2.287 nan 8.250 nan 0.000 0.500 123 G N -2.015 106.851 108.800 0.110 0.000 2.321 123 G HA2 0.294 4.229 3.960 -0.042 0.000 0.339 123 G HA3 0.294 4.229 3.960 -0.042 0.000 0.339 123 G C -1.749 173.346 174.900 0.325 0.000 1.518 123 G CA -0.494 44.730 45.100 0.207 0.000 0.994 123 G HN 0.198 nan 8.290 nan 0.000 0.668 124 V N 1.796 121.864 119.914 0.258 0.000 2.569 124 V HA 0.467 4.562 4.120 -0.042 0.000 0.301 124 V C -0.435 175.755 176.094 0.161 0.000 1.044 124 V CA -0.810 61.602 62.300 0.187 0.000 0.874 124 V CB 1.781 33.646 31.823 0.071 0.000 1.002 124 V HN 0.818 nan 8.190 nan 0.000 0.424 125 H N 3.451 122.490 119.070 -0.051 0.000 2.690 125 H HA 0.453 4.984 4.556 -0.043 0.000 0.289 125 H C -0.712 174.487 175.328 -0.215 0.000 1.089 125 H CA -0.679 55.346 56.048 -0.039 0.000 1.299 125 H CB 1.771 31.671 29.762 0.230 0.000 1.405 125 H HN 0.420 nan 8.280 nan 0.000 0.463 126 V N 5.574 125.358 119.914 -0.216 0.000 2.348 126 V HA 0.089 4.184 4.120 -0.042 0.000 0.270 126 V C 0.249 176.301 176.094 -0.070 0.000 1.037 126 V CA -0.698 61.451 62.300 -0.252 0.000 0.872 126 V CB 0.982 32.530 31.823 -0.458 0.000 1.002 126 V HN 0.435 nan 8.190 nan 0.000 0.464 127 V N 3.916 123.787 119.914 -0.072 0.000 2.350 127 V HA 0.500 4.594 4.120 -0.042 0.000 0.276 127 V C 0.394 176.458 176.094 -0.050 0.000 1.028 127 V CA -0.088 62.202 62.300 -0.017 0.000 0.860 127 V CB 1.262 33.095 31.823 0.017 0.000 0.990 127 V HN 0.887 nan 8.190 nan 0.000 0.453 128 T N 2.855 117.400 114.554 -0.016 0.000 2.919 128 T HA 0.456 4.781 4.350 -0.042 0.000 0.282 128 T C 1.005 175.661 174.700 -0.073 0.000 1.020 128 T CA -0.289 61.778 62.100 -0.055 0.000 0.994 128 T CB 1.984 70.819 68.868 -0.055 0.000 1.180 128 T HN 0.215 nan 8.240 nan 0.000 0.566 129 V N 1.960 121.815 119.914 -0.097 0.000 2.323 129 V HA 0.083 4.178 4.120 -0.042 0.000 0.244 129 V C 0.759 176.797 176.094 -0.094 0.000 1.041 129 V CA 1.784 64.022 62.300 -0.104 0.000 1.025 129 V CB -0.711 31.046 31.823 -0.110 0.000 0.656 129 V HN 0.937 nan 8.190 nan 0.000 0.451 130 N N -2.280 116.351 118.700 -0.114 0.000 2.525 130 N HA 0.184 4.899 4.740 -0.042 0.000 0.270 130 N C 0.285 175.769 175.510 -0.043 0.000 1.321 130 N CA -0.736 52.258 53.050 -0.094 0.000 0.797 130 N CB 0.804 39.138 38.487 -0.254 0.000 1.529 130 N HN -0.125 nan 8.380 nan 0.000 0.491 131 E N -0.347 119.874 120.200 0.036 0.000 2.130 131 E HA -0.248 4.077 4.350 -0.042 0.000 0.196 131 E C 0.740 177.382 176.600 0.070 0.000 0.998 131 E CA 1.463 57.900 56.400 0.062 0.000 0.806 131 E CB -0.328 29.433 29.700 0.101 0.000 0.738 131 E HN 0.658 nan 8.360 nan 0.000 0.459 132 Y N 1.815 122.110 120.300 -0.008 0.000 2.079 132 Y HA -0.207 4.315 4.550 -0.047 0.000 0.267 132 Y C 2.299 178.165 175.900 -0.056 0.000 1.104 132 Y CA 1.557 59.650 58.100 -0.012 0.000 1.086 132 Y CB -0.855 37.628 38.460 0.038 0.000 0.989 132 Y HN -0.112 nan 8.280 nan 0.000 0.477 133 L N 0.430 121.294 121.223 -0.598 0.000 2.283 133 L HA -0.345 3.969 4.340 -0.042 0.000 0.217 133 L C 2.587 179.241 176.870 -0.360 0.000 1.104 133 L CA 1.175 55.688 54.840 -0.546 0.000 0.772 133 L CB -1.186 40.692 42.059 -0.301 0.000 0.899 133 L HN 0.496 nan 8.230 nan 0.000 0.439 134 A N -0.712 121.968 122.820 -0.234 0.000 1.826 134 A HA -0.158 4.137 4.320 -0.042 0.000 0.214 134 A C 2.495 179.937 177.584 -0.236 0.000 1.212 134 A CA 1.690 53.629 52.037 -0.165 0.000 0.605 134 A CB -0.814 18.153 19.000 -0.054 0.000 0.861 134 A HN 0.272 nan 8.150 nan 0.000 0.447 135 S N -0.711 114.894 115.700 -0.158 0.000 2.380 135 S HA -0.242 4.203 4.470 -0.042 0.000 0.229 135 S C 2.151 176.628 174.600 -0.206 0.000 1.043 135 S CA 1.727 59.848 58.200 -0.132 0.000 1.038 135 S CB -0.443 62.740 63.200 -0.028 0.000 0.872 135 S HN 0.595 nan 8.310 nan 0.000 0.456 136 R N 1.125 121.446 120.500 -0.297 0.000 2.088 136 R HA -0.162 4.153 4.340 -0.042 0.000 0.232 136 R C 1.538 177.646 176.300 -0.320 0.000 1.136 136 R CA 2.250 58.168 56.100 -0.303 0.000 0.926 136 R CB -0.647 29.364 30.300 -0.481 0.000 0.837 136 R HN 0.227 nan 8.270 nan 0.000 0.429 137 D N 0.316 120.463 120.400 -0.421 0.000 2.182 137 D HA -0.136 4.479 4.640 -0.042 0.000 0.201 137 D C 1.690 177.516 176.300 -0.791 0.000 0.986 137 D CA 1.467 55.168 54.000 -0.499 0.000 0.847 137 D CB -0.207 40.313 40.800 -0.466 0.000 0.942 137 D HN 0.470 nan 8.370 nan 0.000 0.467 138 A N 0.743 123.029 122.820 -0.890 0.000 1.858 138 A HA -0.226 4.069 4.320 -0.042 0.000 0.216 138 A C 2.151 179.614 177.584 -0.203 0.000 1.190 138 A CA 1.902 53.540 52.037 -0.664 0.000 0.617 138 A CB -0.705 18.112 19.000 -0.305 0.000 0.827 138 A HN 0.325 nan 8.150 nan 0.000 0.443 139 E N -0.271 119.833 120.200 -0.159 0.000 2.077 139 E HA -0.267 4.058 4.350 -0.042 0.000 0.193 139 E C 2.073 178.650 176.600 -0.038 0.000 0.989 139 E CA 1.633 57.997 56.400 -0.060 0.000 0.800 139 E CB -0.212 29.457 29.700 -0.052 0.000 0.746 139 E HN 0.772 nan 8.360 nan 0.000 0.452 140 Q N -0.563 119.190 119.800 -0.078 0.000 1.984 140 Q HA -0.074 4.241 4.340 -0.042 0.000 0.196 140 Q C 2.309 178.288 176.000 -0.035 0.000 0.975 140 Q CA 1.412 57.180 55.803 -0.057 0.000 0.827 140 Q CB -0.109 28.581 28.738 -0.082 0.000 0.894 140 Q HN 0.331 nan 8.270 nan 0.000 0.438 141 M N 0.355 119.936 119.600 -0.031 0.000 2.213 141 M HA -0.054 4.401 4.480 -0.042 0.000 0.263 141 M C 2.236 178.623 176.300 0.145 0.000 1.062 141 M CA 1.509 56.807 55.300 -0.003 0.000 1.105 141 M CB -1.583 31.097 32.600 0.134 0.000 1.385 141 M HN 0.406 nan 8.290 nan 0.000 0.417 142 G N 0.731 109.725 108.800 0.323 0.000 2.505 142 G HA2 -0.271 3.664 3.960 -0.042 0.000 0.220 142 G HA3 -0.271 3.664 3.960 -0.042 0.000 0.220 142 G C 1.825 176.882 174.900 0.261 0.000 1.145 142 G CA 1.054 46.406 45.100 0.420 0.000 0.761 142 G HN 0.445 nan 8.290 nan 0.000 0.571 143 K N -0.129 120.344 120.400 0.122 0.000 2.063 143 K HA -0.026 4.269 4.320 -0.042 0.000 0.208 143 K C 2.463 179.100 176.600 0.062 0.000 1.048 143 K CA 1.128 57.464 56.287 0.081 0.000 0.928 143 K CB -0.251 32.267 32.500 0.030 0.000 0.713 143 K HN 0.398 nan 8.250 nan 0.000 0.442 144 I N 0.090 120.635 120.570 -0.042 0.000 2.142 144 I HA -0.276 3.869 4.170 -0.042 0.000 0.240 144 I C 2.052 178.130 176.117 -0.065 0.000 1.078 144 I CA 1.502 62.718 61.300 -0.141 0.000 1.343 144 I CB -0.485 37.291 38.000 -0.373 0.000 1.046 144 I HN 0.049 nan 8.210 nan 0.000 0.405 145 F N 1.156 121.161 119.950 0.092 0.000 2.046 145 F HA -0.278 4.223 4.527 -0.043 0.000 0.297 145 F C 2.653 178.529 175.800 0.127 0.000 1.123 145 F CA 1.605 59.684 58.000 0.131 0.000 1.199 145 F CB -0.520 38.566 39.000 0.142 0.000 0.972 145 F HN -0.002 nan 8.300 nan 0.000 0.474 146 E N 0.153 120.545 120.200 0.321 0.000 2.055 146 E HA -0.309 4.016 4.350 -0.042 0.000 0.209 146 E C 1.931 178.665 176.600 0.222 0.000 1.036 146 E CA 2.220 58.761 56.400 0.234 0.000 0.849 146 E CB -0.561 29.256 29.700 0.195 0.000 0.767 146 E HN 0.336 nan 8.360 nan 0.000 0.461 147 F N 0.612 120.617 119.950 0.092 0.000 2.102 147 F HA -0.105 4.397 4.527 -0.043 0.000 0.298 147 F C 1.833 177.689 175.800 0.092 0.000 1.105 147 F CA 1.271 59.313 58.000 0.071 0.000 1.239 147 F CB -0.391 38.631 39.000 0.036 0.000 0.991 147 F HN 0.021 nan 8.300 nan 0.000 0.474 148 L N 0.263 121.430 121.223 -0.094 0.000 2.357 148 L HA -0.133 4.182 4.340 -0.042 0.000 0.220 148 L C 1.584 178.425 176.870 -0.048 0.000 1.123 148 L CA 1.313 56.069 54.840 -0.140 0.000 0.782 148 L CB -1.316 40.758 42.059 0.025 0.000 0.910 148 L HN 0.595 nan 8.230 nan 0.000 0.442 149 G N -0.210 108.589 108.800 -0.003 0.000 2.173 149 G HA2 -0.178 3.757 3.960 -0.042 0.000 0.174 149 G HA3 -0.178 3.757 3.960 -0.042 0.000 0.174 149 G C -0.254 174.695 174.900 0.081 0.000 1.025 149 G CA -0.529 44.579 45.100 0.013 0.000 0.706 149 G HN 0.172 nan 8.290 nan 0.000 0.499 150 L N 1.440 122.746 121.223 0.138 0.000 2.365 150 L HA 0.637 4.952 4.340 -0.042 0.000 0.273 150 L C 0.955 177.878 176.870 0.088 0.000 1.000 150 L CA -0.825 54.075 54.840 0.100 0.000 0.819 150 L CB 1.982 44.110 42.059 0.114 0.000 1.284 150 L HN 0.294 nan 8.230 nan 0.000 0.418 151 T N -0.118 114.461 114.554 0.043 0.000 2.918 151 T HA 0.505 4.830 4.350 -0.042 0.000 0.302 151 T C -0.083 174.616 174.700 -0.002 0.000 1.045 151 T CA -0.632 61.490 62.100 0.037 0.000 1.114 151 T CB 1.482 70.367 68.868 0.029 0.000 0.965 151 T HN 0.251 nan 8.240 nan 0.000 0.540 152 V N 1.429 121.356 119.914 0.022 0.000 2.604 152 V HA 0.803 4.898 4.120 -0.042 0.000 0.305 152 V C 0.593 176.698 176.094 0.019 0.000 1.043 152 V CA -0.887 61.413 62.300 -0.001 0.000 0.888 152 V CB 1.873 33.751 31.823 0.091 0.000 0.995 152 V HN 1.276 nan 8.190 nan 0.000 0.429 153 G N 2.672 111.463 108.800 -0.016 0.000 2.495 153 G HA2 0.673 4.608 3.960 -0.042 0.000 0.318 153 G HA3 0.673 4.608 3.960 -0.042 0.000 0.318 153 G C -1.708 173.181 174.900 -0.019 0.000 1.257 153 G CA -0.636 44.449 45.100 -0.025 0.000 0.962 153 G HN 0.598 nan 8.290 nan 0.000 0.483 154 L N 1.269 122.484 121.223 -0.013 0.000 2.307 154 L HA 0.631 4.946 4.340 -0.042 0.000 0.284 154 L C -0.423 176.401 176.870 -0.076 0.000 1.023 154 L CA -0.945 53.889 54.840 -0.011 0.000 0.810 154 L CB 1.923 43.988 42.059 0.011 0.000 1.231 154 L HN 0.449 nan 8.230 nan 0.000 0.423 155 N N 4.756 123.392 118.700 -0.108 0.000 3.044 155 N HA 0.366 5.081 4.740 -0.042 0.000 0.254 155 N C -1.297 174.186 175.510 -0.045 0.000 1.253 155 N CA -0.269 52.693 53.050 -0.148 0.000 0.944 155 N CB -0.057 38.231 38.487 -0.332 0.000 1.217 155 N HN 0.600 nan 8.380 nan 0.000 0.498 156 L N 0.866 122.083 121.223 -0.010 0.000 2.421 156 L HA 0.304 4.619 4.340 -0.042 0.000 0.263 156 L C 1.892 178.789 176.870 0.046 0.000 1.122 156 L CA -0.579 54.277 54.840 0.026 0.000 0.804 156 L CB 0.765 42.842 42.059 0.029 0.000 1.150 156 L HN 0.485 nan 8.230 nan 0.000 0.457 157 N N 0.472 119.212 118.700 0.067 0.000 2.309 157 N HA -0.147 4.568 4.740 -0.042 0.000 0.182 157 N C 1.332 176.873 175.510 0.051 0.000 1.018 157 N CA 1.337 54.432 53.050 0.075 0.000 0.876 157 N CB 0.287 38.825 38.487 0.085 0.000 0.972 157 N HN 0.738 nan 8.380 nan 0.000 0.434 158 S N -0.165 115.560 115.700 0.042 0.000 2.660 158 S HA 0.108 4.552 4.470 -0.042 0.000 0.228 158 S C 0.912 175.530 174.600 0.031 0.000 0.966 158 S CA 0.035 58.254 58.200 0.032 0.000 0.940 158 S CB -0.246 62.972 63.200 0.030 0.000 0.773 158 S HN 0.225 nan 8.310 nan 0.000 0.535 159 M N 2.766 122.388 119.600 0.036 0.000 2.233 159 M HA 0.298 4.752 4.480 -0.042 0.000 0.355 159 M C 0.582 176.908 176.300 0.043 0.000 1.191 159 M CA -0.431 54.890 55.300 0.036 0.000 1.101 159 M CB 1.493 34.111 32.600 0.031 0.000 1.592 159 M HN 0.294 nan 8.290 nan 0.000 0.461 160 S N 2.548 118.272 115.700 0.040 0.000 2.579 160 S HA 0.157 4.601 4.470 -0.042 0.000 0.275 160 S C 0.812 175.447 174.600 0.059 0.000 1.345 160 S CA -0.363 57.863 58.200 0.043 0.000 1.031 160 S CB 0.928 64.150 63.200 0.036 0.000 0.892 160 S HN 0.783 nan 8.310 nan 0.000 0.529 161 K N 1.325 121.764 120.400 0.064 0.000 2.059 161 K HA -0.176 4.119 4.320 -0.042 0.000 0.212 161 K C 1.518 178.168 176.600 0.083 0.000 1.050 161 K CA 2.262 58.599 56.287 0.083 0.000 0.927 161 K CB -0.413 32.131 32.500 0.073 0.000 0.714 161 K HN 0.641 nan 8.250 nan 0.000 0.447 162 D N 0.599 121.037 120.400 0.062 0.000 2.123 162 D HA -0.146 4.468 4.640 -0.042 0.000 0.196 162 D C 1.736 178.072 176.300 0.060 0.000 0.992 162 D CA 1.206 55.240 54.000 0.056 0.000 0.833 162 D CB -0.072 40.752 40.800 0.041 0.000 0.954 162 D HN 0.288 nan 8.370 nan 0.000 0.455 163 E N 0.295 120.527 120.200 0.054 0.000 2.110 163 E HA -0.147 4.178 4.350 -0.042 0.000 0.193 163 E C 1.969 178.602 176.600 0.055 0.000 0.988 163 E CA 0.813 57.241 56.400 0.046 0.000 0.804 163 E CB 0.051 29.773 29.700 0.036 0.000 0.745 163 E HN 0.292 nan 8.360 nan 0.000 0.458 164 K N 0.608 121.057 120.400 0.081 0.000 2.025 164 K HA -0.138 4.157 4.320 -0.042 0.000 0.207 164 K C 2.251 178.973 176.600 0.203 0.000 1.049 164 K CA 0.869 57.223 56.287 0.112 0.000 0.933 164 K CB -0.174 32.433 32.500 0.178 0.000 0.714 164 K HN -0.045 nan 8.250 nan 0.000 0.438 165 R N 1.585 122.208 120.500 0.204 0.000 2.112 165 R HA -0.265 4.050 4.340 -0.042 0.000 0.242 165 R C 2.373 178.775 176.300 0.170 0.000 1.137 165 R CA 2.270 58.489 56.100 0.200 0.000 0.944 165 R CB -0.153 30.218 30.300 0.119 0.000 0.857 165 R HN 0.334 nan 8.270 nan 0.000 0.435 166 E N -0.471 119.792 120.200 0.106 0.000 2.077 166 E HA -0.189 4.136 4.350 -0.042 0.000 0.193 166 E C 1.729 178.362 176.600 0.054 0.000 0.989 166 E CA 1.349 57.792 56.400 0.072 0.000 0.800 166 E CB -0.163 29.567 29.700 0.050 0.000 0.746 166 E HN 0.462 nan 8.360 nan 0.000 0.452 167 A N -0.075 122.760 122.820 0.025 0.000 1.930 167 A HA -0.123 4.172 4.320 -0.042 0.000 0.217 167 A C 1.882 179.409 177.584 -0.094 0.000 1.175 167 A CA 1.159 53.164 52.037 -0.053 0.000 0.627 167 A CB -0.872 18.059 19.000 -0.114 0.000 0.815 167 A HN 0.506 nan 8.150 nan 0.000 0.443 168 Y N -0.400 119.900 120.300 0.000 0.000 2.352 168 Y HA -0.037 4.488 4.550 -0.043 0.000 0.292 168 Y C 2.648 178.567 175.900 0.033 0.000 1.136 168 Y CA 0.684 58.785 58.100 0.001 0.000 1.227 168 Y CB 0.011 38.497 38.460 0.042 0.000 0.991 168 Y HN 0.362 nan 8.280 nan 0.000 0.545 169 A N 0.066 122.988 122.820 0.169 0.000 2.167 169 A HA 0.301 4.596 4.320 -0.042 0.000 0.214 169 A C 1.419 179.046 177.584 0.071 0.000 1.151 169 A CA 0.549 52.654 52.037 0.113 0.000 0.735 169 A CB -0.754 18.297 19.000 0.086 0.000 0.802 169 A HN 0.230 nan 8.150 nan 0.000 0.467 170 A N 0.113 122.962 122.820 0.047 0.000 2.313 170 A HA 0.374 4.669 4.320 -0.042 0.000 0.261 170 A C 0.782 178.373 177.584 0.011 0.000 1.090 170 A CA 0.104 52.151 52.037 0.016 0.000 0.807 170 A CB 0.287 19.280 19.000 -0.010 0.000 1.055 170 A HN 0.375 nan 8.150 nan 0.000 0.492 171 D N -0.171 120.218 120.400 -0.018 0.000 2.097 171 D HA -0.083 4.532 4.640 -0.042 0.000 0.195 171 D C 0.057 176.306 176.300 -0.085 0.000 0.989 171 D CA 1.505 55.484 54.000 -0.035 0.000 0.827 171 D CB -0.112 40.651 40.800 -0.061 0.000 0.966 171 D HN 0.375 nan 8.370 nan 0.000 0.456 172 I N 0.571 121.023 120.570 -0.197 0.000 2.377 172 I HA 0.134 4.278 4.170 -0.042 0.000 0.293 172 I C -0.366 175.585 176.117 -0.277 0.000 0.987 172 I CA 0.065 61.153 61.300 -0.352 0.000 1.185 172 I CB 2.174 39.720 38.000 -0.756 0.000 1.341 172 I HN -0.317 nan 8.210 nan 0.000 0.455 173 T N 5.732 120.106 114.554 -0.300 0.000 2.890 173 T HA 0.423 4.748 4.350 -0.042 0.000 0.295 173 T C -0.818 173.670 174.700 -0.353 0.000 0.993 173 T CA -0.457 61.471 62.100 -0.287 0.000 0.979 173 T CB 0.260 68.928 68.868 -0.334 0.000 0.967 173 T HN 0.107 nan 8.240 nan 0.000 0.441 174 Y N 1.864 122.070 120.300 -0.157 0.000 2.316 174 Y HA 0.565 5.089 4.550 -0.044 0.000 0.331 174 Y C 1.004 176.819 175.900 -0.140 0.000 1.083 174 Y CA 0.175 58.202 58.100 -0.121 0.000 1.206 174 Y CB 1.325 39.733 38.460 -0.088 0.000 1.195 174 Y HN 0.602 nan 8.280 nan 0.000 0.497 175 S N 0.891 116.621 115.700 0.051 0.000 2.656 175 S HA 0.540 4.985 4.470 -0.042 0.000 0.273 175 S C -0.746 173.881 174.600 0.046 0.000 1.168 175 S CA -0.764 57.443 58.200 0.012 0.000 0.817 175 S CB 0.968 64.138 63.200 -0.051 0.000 1.146 175 S HN 0.669 nan 8.310 nan 0.000 0.475 176 T N 1.332 115.911 114.554 0.041 0.000 2.922 176 T HA 0.318 4.642 4.350 -0.042 0.000 0.285 176 T C 1.461 176.195 174.700 0.057 0.000 1.005 176 T CA -0.268 61.853 62.100 0.036 0.000 1.061 176 T CB 0.653 69.543 68.868 0.036 0.000 1.007 176 T HN 0.702 nan 8.240 nan 0.000 0.502 177 N N 3.027 121.750 118.700 0.038 0.000 2.043 177 N HA -0.232 4.483 4.740 -0.042 0.000 0.193 177 N C 1.280 176.760 175.510 -0.051 0.000 1.037 177 N CA 1.707 54.794 53.050 0.061 0.000 0.851 177 N CB -1.172 37.278 38.487 -0.061 0.000 1.027 177 N HN 0.716 nan 8.380 nan 0.000 0.422 178 N N 0.936 119.605 118.700 -0.052 0.000 2.021 178 N HA -0.168 4.547 4.740 -0.042 0.000 0.198 178 N C 1.407 176.761 175.510 -0.259 0.000 1.041 178 N CA 1.603 54.573 53.050 -0.133 0.000 0.862 178 N CB -0.173 38.358 38.487 0.073 0.000 1.048 178 N HN 0.386 nan 8.380 nan 0.000 0.427 179 E N 1.270 121.503 120.200 0.055 0.000 2.058 179 E HA -0.117 4.208 4.350 -0.042 0.000 0.194 179 E C 2.387 179.040 176.600 0.087 0.000 0.997 179 E CA 0.489 56.997 56.400 0.180 0.000 0.801 179 E CB -0.504 29.301 29.700 0.174 0.000 0.746 179 E HN 0.370 nan 8.360 nan 0.000 0.450 180 L N 0.389 121.630 121.223 0.030 0.000 2.021 180 L HA -0.224 4.091 4.340 -0.042 0.000 0.215 180 L C 2.477 179.110 176.870 -0.395 0.000 1.074 180 L CA 1.640 56.493 54.840 0.022 0.000 0.760 180 L CB -0.904 41.231 42.059 0.127 0.000 0.889 180 L HN 0.214 nan 8.230 nan 0.000 0.433 181 G N -0.277 108.127 108.800 -0.660 0.000 2.639 181 G HA2 -0.298 3.637 3.960 -0.042 0.000 0.216 181 G HA3 -0.298 3.637 3.960 -0.042 0.000 0.216 181 G C 1.356 176.096 174.900 -0.266 0.000 1.267 181 G CA 1.040 45.711 45.100 -0.714 0.000 0.801 181 G HN 0.309 nan 8.290 nan 0.000 0.592 182 F N 1.304 121.253 119.950 -0.002 0.000 2.147 182 F HA -0.158 4.344 4.527 -0.043 0.000 0.301 182 F C 2.627 178.477 175.800 0.085 0.000 1.084 182 F CA 1.107 59.137 58.000 0.051 0.000 1.268 182 F CB -0.164 38.869 39.000 0.056 0.000 1.009 182 F HN 0.085 nan 8.300 nan 0.000 0.486 183 D N -0.500 120.058 120.400 0.264 0.000 2.077 183 D HA -0.236 4.379 4.640 -0.042 0.000 0.196 183 D C 1.935 178.350 176.300 0.191 0.000 0.986 183 D CA 1.444 55.589 54.000 0.242 0.000 0.829 183 D CB -0.957 40.040 40.800 0.328 0.000 0.983 183 D HN 0.357 nan 8.370 nan 0.000 0.453 184 Y N 1.546 121.898 120.300 0.086 0.000 2.193 184 Y HA -0.233 4.292 4.550 -0.041 0.000 0.285 184 Y C 2.215 178.160 175.900 0.075 0.000 1.166 184 Y CA 1.425 59.581 58.100 0.094 0.000 1.181 184 Y CB -0.339 38.270 38.460 0.249 0.000 0.976 184 Y HN -0.063 nan 8.280 nan 0.000 0.520 185 L N -0.216 121.121 121.223 0.191 0.000 2.005 185 L HA -0.197 4.117 4.340 -0.042 0.000 0.207 185 L C 2.786 179.667 176.870 0.019 0.000 1.072 185 L CA 1.612 56.516 54.840 0.107 0.000 0.744 185 L CB -0.536 41.670 42.059 0.245 0.000 0.895 185 L HN 0.130 nan 8.230 nan 0.000 0.433 186 R N -0.201 120.347 120.500 0.080 0.000 2.152 186 R HA -0.182 4.132 4.340 -0.042 0.000 0.232 186 R C 1.867 178.164 176.300 -0.005 0.000 1.117 186 R CA 1.194 57.326 56.100 0.053 0.000 0.981 186 R CB -0.108 30.245 30.300 0.089 0.000 0.870 186 R HN 0.336 nan 8.270 nan 0.000 0.451 187 D N 0.322 120.697 120.400 -0.041 0.000 2.117 187 D HA -0.114 4.500 4.640 -0.042 0.000 0.197 187 D C 0.864 177.088 176.300 -0.127 0.000 0.987 187 D CA 1.003 54.959 54.000 -0.075 0.000 0.829 187 D CB -0.146 40.587 40.800 -0.112 0.000 0.961 187 D HN 0.201 nan 8.370 nan 0.000 0.460 188 N N -0.108 118.427 118.700 -0.274 0.000 2.421 188 N HA 0.031 4.746 4.740 -0.042 0.000 0.201 188 N C 0.740 176.097 175.510 -0.254 0.000 1.198 188 N CA 0.108 52.923 53.050 -0.391 0.000 0.838 188 N CB 0.299 38.203 38.487 -0.971 0.000 1.011 188 N HN 0.313 nan 8.380 nan 0.000 0.463 189 M N -0.038 119.479 119.600 -0.138 0.000 2.346 189 M HA 0.157 4.612 4.480 -0.042 0.000 0.280 189 M C 0.118 176.344 176.300 -0.123 0.000 1.075 189 M CA -0.057 55.193 55.300 -0.082 0.000 0.989 189 M CB 1.155 33.749 32.600 -0.010 0.000 1.447 189 M HN -0.256 nan 8.290 nan 0.000 0.511 190 V N 1.410 121.227 119.914 -0.162 0.000 2.811 190 V HA -0.024 4.071 4.120 -0.042 0.000 0.302 190 V C 1.181 177.138 176.094 -0.229 0.000 1.063 190 V CA 0.177 62.400 62.300 -0.129 0.000 1.088 190 V CB 1.579 33.366 31.823 -0.059 0.000 0.982 190 V HN 0.379 nan 8.190 nan 0.000 0.485 191 L N 4.034 125.115 121.223 -0.238 0.000 2.416 191 L HA 0.279 4.594 4.340 -0.042 0.000 0.216 191 L C -0.405 176.028 176.870 -0.728 0.000 1.098 191 L CA 1.193 55.711 54.840 -0.536 0.000 0.840 191 L CB -0.102 41.545 42.059 -0.687 0.000 0.981 191 L HN 0.666 nan 8.230 nan 0.000 0.462 192 Y N -1.334 118.953 120.300 -0.023 0.000 2.433 192 Y HA 0.221 4.746 4.550 -0.042 0.000 0.337 192 Y C 0.943 176.875 175.900 0.054 0.000 1.026 192 Y CA -0.765 57.344 58.100 0.015 0.000 1.037 192 Y CB 1.353 39.822 38.460 0.014 0.000 1.245 192 Y HN -0.248 nan 8.280 nan 0.000 0.443 193 K N 1.054 121.595 120.400 0.235 0.000 2.218 193 K HA -0.223 4.072 4.320 -0.042 0.000 0.205 193 K C 0.815 177.501 176.600 0.142 0.000 1.046 193 K CA 2.066 58.485 56.287 0.219 0.000 0.933 193 K CB 0.284 32.897 32.500 0.188 0.000 0.728 193 K HN 0.751 nan 8.250 nan 0.000 0.454 194 E N -0.024 120.254 120.200 0.131 0.000 2.107 194 E HA -0.223 4.101 4.350 -0.042 0.000 0.191 194 E C 1.748 178.399 176.600 0.084 0.000 0.982 194 E CA 1.342 57.793 56.400 0.084 0.000 0.809 194 E CB -0.154 29.581 29.700 0.058 0.000 0.756 194 E HN 0.468 nan 8.360 nan 0.000 0.459 195 Q N 0.740 120.609 119.800 0.115 0.000 2.364 195 Q HA -0.091 4.224 4.340 -0.042 0.000 0.209 195 Q C 0.412 176.458 176.000 0.077 0.000 0.977 195 Q CA 0.538 56.400 55.803 0.098 0.000 0.885 195 Q CB -0.317 28.498 28.738 0.129 0.000 0.941 195 Q HN 0.191 nan 8.270 nan 0.000 0.464 196 M N 0.118 119.764 119.600 0.076 0.000 2.234 196 M HA -0.085 4.369 4.480 -0.042 0.000 0.326 196 M C 0.459 176.778 176.300 0.031 0.000 1.077 196 M CA 0.127 55.454 55.300 0.044 0.000 1.052 196 M CB 0.808 33.428 32.600 0.033 0.000 1.607 196 M HN 0.038 nan 8.290 nan 0.000 0.445 197 V N 0.721 120.637 119.914 0.003 0.000 3.013 197 V HA 0.018 4.113 4.120 -0.042 0.000 0.238 197 V C 0.887 176.906 176.094 -0.126 0.000 1.161 197 V CA 0.772 63.091 62.300 0.032 0.000 1.170 197 V CB 0.337 32.232 31.823 0.120 0.000 0.917 197 V HN 0.785 nan 8.190 nan 0.000 0.478 198 Q N 0.163 119.746 119.800 -0.362 0.000 2.382 198 Q HA 0.414 4.729 4.340 -0.042 0.000 0.229 198 Q C -0.376 175.482 176.000 -0.237 0.000 1.006 198 Q CA 0.062 55.491 55.803 -0.623 0.000 0.916 198 Q CB 1.061 29.518 28.738 -0.467 0.000 1.235 198 Q HN 0.212 nan 8.270 nan 0.000 0.512 199 R N -0.029 120.379 120.500 -0.152 0.000 3.076 199 R HA 0.469 4.784 4.340 -0.042 0.000 0.239 199 R C -2.482 173.769 176.300 -0.082 0.000 1.392 199 R CA -1.979 54.076 56.100 -0.075 0.000 1.044 199 R CB 0.053 30.341 30.300 -0.019 0.000 1.389 199 R HN 0.399 nan 8.270 nan 0.000 0.498 200 P HA 0.102 nan 4.420 nan 0.000 0.262 200 P C -0.739 176.459 177.300 -0.171 0.000 1.199 200 P CA 0.231 63.261 63.100 -0.116 0.000 0.763 200 P CB 0.201 31.850 31.700 -0.084 0.000 0.790 201 L N 3.479 124.497 121.223 -0.340 0.000 2.678 201 L HA -0.003 4.312 4.340 -0.042 0.000 0.276 201 L C 1.617 178.255 176.870 -0.386 0.000 1.142 201 L CA 0.183 54.578 54.840 -0.741 0.000 0.961 201 L CB -0.450 40.788 42.059 -1.368 0.000 1.291 201 L HN 0.615 nan 8.230 nan 0.000 0.476 202 H N 3.960 122.920 119.070 -0.183 0.000 2.348 202 H HA 0.199 4.730 4.556 -0.041 0.000 0.313 202 H C -0.592 174.937 175.328 0.336 0.000 1.051 202 H CA 0.411 56.493 56.048 0.057 0.000 1.420 202 H CB 0.607 30.391 29.762 0.038 0.000 1.484 202 H HN 0.356 nan 8.280 nan 0.000 0.609 203 F N 1.707 121.563 119.950 -0.156 0.000 2.612 203 F HA 0.696 5.199 4.527 -0.040 0.000 0.332 203 F C -1.188 174.537 175.800 -0.124 0.000 1.167 203 F CA -1.289 56.541 58.000 -0.282 0.000 0.970 203 F CB 0.769 39.456 39.000 -0.522 0.000 1.234 203 F HN 0.365 nan 8.300 nan 0.000 0.453 204 A N 4.368 126.944 122.820 -0.406 0.000 2.312 204 A HA 0.821 5.115 4.320 -0.042 0.000 0.328 204 A C -1.411 175.736 177.584 -0.727 0.000 1.158 204 A CA -0.583 51.050 52.037 -0.673 0.000 0.821 204 A CB 1.454 19.823 19.000 -1.051 0.000 1.170 204 A HN 0.555 nan 8.150 nan 0.000 0.490 205 V N 3.889 123.444 119.914 -0.599 0.000 2.454 205 V HA 0.190 4.285 4.120 -0.042 0.000 0.267 205 V C -0.448 175.446 176.094 -0.333 0.000 0.993 205 V CA -0.036 61.968 62.300 -0.493 0.000 0.836 205 V CB 0.506 32.017 31.823 -0.519 0.000 1.055 205 V HN 0.768 nan 8.190 nan 0.000 0.452 206 I N 3.412 123.759 120.570 -0.372 0.000 2.598 206 I HA 0.138 4.283 4.170 -0.042 0.000 0.284 206 I C 0.271 176.245 176.117 -0.239 0.000 1.140 206 I CA 0.785 61.869 61.300 -0.360 0.000 1.420 206 I CB 0.394 38.073 38.000 -0.534 0.000 1.387 206 I HN 0.459 nan 8.210 nan 0.000 0.553 207 D N 5.858 126.152 120.400 -0.177 0.000 2.278 207 D HA 0.256 4.871 4.640 -0.042 0.000 0.245 207 D C -0.194 176.032 176.300 -0.124 0.000 1.052 207 D CA -0.328 53.596 54.000 -0.127 0.000 0.834 207 D CB 1.064 41.814 40.800 -0.084 0.000 1.194 207 D HN 0.443 nan 8.370 nan 0.000 0.481 208 E N 1.013 121.148 120.200 -0.108 0.000 2.442 208 E HA -0.175 4.150 4.350 -0.042 0.000 0.256 208 E C 0.946 177.484 176.600 -0.104 0.000 1.095 208 E CA 0.313 56.658 56.400 -0.092 0.000 0.747 208 E CB -1.370 28.281 29.700 -0.082 0.000 1.310 208 E HN 0.270 nan 8.360 nan 0.000 0.396 209 V N 1.317 121.159 119.914 -0.121 0.000 2.231 209 V HA -0.394 3.701 4.120 -0.042 0.000 0.250 209 V C 2.196 178.269 176.094 -0.035 0.000 1.058 209 V CA 2.796 65.020 62.300 -0.128 0.000 1.022 209 V CB -0.182 31.560 31.823 -0.135 0.000 0.640 209 V HN 0.737 nan 8.190 nan 0.000 0.445 210 D N -1.274 119.156 120.400 0.050 0.000 2.221 210 D HA -0.160 4.455 4.640 -0.042 0.000 0.204 210 D C 1.974 178.296 176.300 0.036 0.000 0.982 210 D CA 1.674 55.755 54.000 0.134 0.000 0.857 210 D CB -0.323 40.573 40.800 0.160 0.000 0.934 210 D HN 0.529 nan 8.370 nan 0.000 0.475 211 S N 1.005 116.697 115.700 -0.013 0.000 2.344 211 S HA -0.077 4.368 4.470 -0.042 0.000 0.217 211 S C 2.266 176.832 174.600 -0.057 0.000 1.033 211 S CA 0.896 59.078 58.200 -0.030 0.000 1.017 211 S CB -0.360 62.813 63.200 -0.045 0.000 0.941 211 S HN 0.296 nan 8.310 nan 0.000 0.430 212 I N 1.696 122.196 120.570 -0.117 0.000 2.065 212 I HA -0.285 3.860 4.170 -0.042 0.000 0.236 212 I C 2.291 178.328 176.117 -0.134 0.000 1.028 212 I CA 1.555 62.737 61.300 -0.197 0.000 1.299 212 I CB -0.658 37.175 38.000 -0.278 0.000 1.015 212 I HN 0.217 nan 8.210 nan 0.000 0.396 213 L N -0.070 121.073 121.223 -0.133 0.000 1.993 213 L HA -0.179 4.136 4.340 -0.042 0.000 0.206 213 L C 2.599 179.477 176.870 0.014 0.000 1.074 213 L CA 1.076 55.867 54.840 -0.081 0.000 0.746 213 L CB -0.571 41.270 42.059 -0.362 0.000 0.896 213 L HN 0.226 nan 8.230 nan 0.000 0.435 214 I N 0.087 120.644 120.570 -0.021 0.000 2.142 214 I HA -0.255 3.890 4.170 -0.042 0.000 0.240 214 I C 2.147 178.295 176.117 0.051 0.000 1.078 214 I CA 1.651 62.963 61.300 0.019 0.000 1.343 214 I CB -1.257 36.761 38.000 0.030 0.000 1.046 214 I HN 0.327 nan 8.210 nan 0.000 0.405 215 D N 0.537 120.962 120.400 0.041 0.000 2.213 215 D HA -0.079 4.536 4.640 -0.042 0.000 0.205 215 D C 1.334 177.673 176.300 0.065 0.000 0.961 215 D CA 0.737 54.765 54.000 0.046 0.000 0.853 215 D CB 0.074 40.892 40.800 0.030 0.000 0.967 215 D HN 0.516 nan 8.370 nan 0.000 0.496 216 E N 0.403 120.650 120.200 0.078 0.000 2.451 216 E HA 0.277 4.602 4.350 -0.042 0.000 0.194 216 E C 1.351 178.128 176.600 0.295 0.000 1.027 216 E CA -0.240 56.255 56.400 0.159 0.000 0.914 216 E CB 0.755 30.503 29.700 0.080 0.000 1.054 216 E HN 0.068 nan 8.360 nan 0.000 0.461 217 A N 1.670 124.606 122.820 0.193 0.000 1.969 217 A HA -0.118 4.177 4.320 -0.042 0.000 0.218 217 A C 1.882 179.531 177.584 0.107 0.000 1.169 217 A CA 0.796 52.947 52.037 0.189 0.000 0.635 217 A CB -0.179 18.890 19.000 0.116 0.000 0.810 217 A HN 0.063 nan 8.150 nan 0.000 0.445 218 R N 1.303 121.840 120.500 0.063 0.000 4.231 218 R HA 0.209 4.524 4.340 -0.042 0.000 0.250 218 R C -1.356 174.947 176.300 0.004 0.000 1.600 218 R CA 0.549 56.646 56.100 -0.005 0.000 1.523 218 R CB -0.531 29.746 30.300 -0.039 0.000 1.422 218 R HN 0.369 nan 8.270 nan 0.000 0.759 219 T N -0.050 114.510 114.554 0.010 0.000 3.798 219 T HA 0.285 4.609 4.350 -0.042 0.000 0.339 219 T C -2.938 171.681 174.700 -0.135 0.000 0.967 219 T CA -1.580 60.513 62.100 -0.012 0.000 1.046 219 T CB 1.858 70.778 68.868 0.086 0.000 1.092 219 T HN 0.090 nan 8.240 nan 0.000 0.465 220 P HA 0.426 nan 4.420 nan 0.000 0.279 220 P C -0.402 176.767 177.300 -0.219 0.000 1.239 220 P CA -0.724 62.261 63.100 -0.193 0.000 0.789 220 P CB 0.676 32.311 31.700 -0.108 0.000 0.933 221 L N 3.840 124.859 121.223 -0.340 0.000 2.456 221 L HA 0.221 4.536 4.340 -0.042 0.000 0.277 221 L C 0.292 177.164 176.870 0.003 0.000 1.124 221 L CA 0.269 54.971 54.840 -0.230 0.000 0.880 221 L CB -0.398 41.421 42.059 -0.400 0.000 1.192 221 L HN 0.243 nan 8.230 nan 0.000 0.463 222 I N 4.990 125.628 120.570 0.115 0.000 2.474 222 I HA 0.431 4.576 4.170 -0.042 0.000 0.294 222 I C -0.312 175.896 176.117 0.152 0.000 1.005 222 I CA -0.446 60.913 61.300 0.098 0.000 1.113 222 I CB 2.073 40.096 38.000 0.038 0.000 1.289 222 I HN 0.417 nan 8.210 nan 0.000 0.436 223 I N 5.049 125.679 120.570 0.100 0.000 2.436 223 I HA 0.366 4.511 4.170 -0.042 0.000 0.289 223 I C -0.274 175.847 176.117 0.007 0.000 1.010 223 I CA -0.238 61.087 61.300 0.041 0.000 1.098 223 I CB 2.017 40.053 38.000 0.059 0.000 1.266 223 I HN 0.600 nan 8.210 nan 0.000 0.434 224 S N 3.718 119.407 115.700 -0.018 0.000 2.599 224 S HA 0.964 5.408 4.470 -0.042 0.000 0.294 224 S C -0.400 174.186 174.600 -0.023 0.000 1.094 224 S CA -0.728 57.460 58.200 -0.019 0.000 0.931 224 S CB 2.454 65.643 63.200 -0.017 0.000 1.093 224 S HN 0.808 nan 8.310 nan 0.000 0.488 225 G N -0.001 108.789 108.800 -0.017 0.000 2.921 225 G HA2 0.564 4.499 3.960 -0.042 0.000 0.291 225 G HA3 0.564 4.499 3.960 -0.042 0.000 0.291 225 G C -1.471 173.426 174.900 -0.005 0.000 1.370 225 G CA -0.902 44.190 45.100 -0.014 0.000 0.847 225 G HN 0.713 nan 8.290 nan 0.000 0.532 226 Q N -0.195 119.605 119.800 -0.001 0.000 2.395 226 Q HA 0.503 4.818 4.340 -0.042 0.000 0.271 226 Q C 0.745 176.756 176.000 0.018 0.000 1.026 226 Q CA 0.479 56.288 55.803 0.010 0.000 0.900 226 Q CB 0.990 29.735 28.738 0.012 0.000 1.266 226 Q HN 0.813 nan 8.270 nan 0.000 0.430 227 A N 1.878 124.719 122.820 0.035 0.000 2.520 227 A HA 0.339 4.633 4.320 -0.042 0.000 0.235 227 A C 0.576 178.196 177.584 0.060 0.000 1.065 227 A CA 0.572 52.642 52.037 0.056 0.000 0.764 227 A CB 0.161 19.214 19.000 0.088 0.000 1.002 227 A HN 0.906 nan 8.150 nan 0.000 0.502 228 A N 1.803 124.658 122.820 0.059 0.000 2.220 228 A HA 0.223 4.518 4.320 -0.042 0.000 0.211 228 A C 0.929 178.521 177.584 0.012 0.000 1.176 228 A CA 0.528 52.578 52.037 0.022 0.000 0.834 228 A CB 0.052 19.050 19.000 -0.003 0.000 0.868 228 A HN 0.723 nan 8.150 nan 0.000 0.488 229 K N 0.012 120.459 120.400 0.078 0.000 2.208 229 K HA 0.464 4.759 4.320 -0.042 0.000 0.247 229 K C -0.582 176.077 176.600 0.098 0.000 0.953 229 K CA -0.465 55.852 56.287 0.050 0.000 0.837 229 K CB 1.734 34.324 32.500 0.150 0.000 1.131 229 K HN 0.066 nan 8.250 nan 0.000 0.431 230 S N 0.724 116.472 115.700 0.079 0.000 2.510 230 S HA -0.040 4.405 4.470 -0.042 0.000 0.279 230 S C 1.187 175.843 174.600 0.094 0.000 1.284 230 S CA -0.100 58.154 58.200 0.090 0.000 1.059 230 S CB 0.469 63.726 63.200 0.096 0.000 0.901 230 S HN 0.655 nan 8.310 nan 0.000 0.491 231 T N 3.660 118.341 114.554 0.212 0.000 3.219 231 T HA 0.092 4.417 4.350 -0.042 0.000 0.264 231 T C 0.986 175.813 174.700 0.212 0.000 1.178 231 T CA 1.164 63.443 62.100 0.298 0.000 1.057 231 T CB -0.341 68.631 68.868 0.174 0.000 0.919 231 T HN 0.686 nan 8.240 nan 0.000 0.545 232 K N -0.831 119.650 120.400 0.135 0.000 2.567 232 K HA 0.326 4.621 4.320 -0.042 0.000 0.218 232 K C 1.545 178.187 176.600 0.070 0.000 1.440 232 K CA -0.210 56.135 56.287 0.097 0.000 0.995 232 K CB 0.416 32.964 32.500 0.080 0.000 1.186 232 K HN 0.252 nan 8.250 nan 0.000 0.593 233 L N 0.632 121.866 121.223 0.019 0.000 2.492 233 L HA 0.035 4.350 4.340 -0.042 0.000 0.223 233 L C 1.535 178.234 176.870 -0.284 0.000 1.132 233 L CA 1.028 55.863 54.840 -0.007 0.000 0.850 233 L CB -0.255 41.946 42.059 0.237 0.000 0.966 233 L HN 0.223 nan 8.230 nan 0.000 0.454 234 Y N -0.513 119.625 120.300 -0.271 0.000 2.200 234 Y HA -0.225 4.300 4.550 -0.042 0.000 0.290 234 Y C 2.557 178.416 175.900 -0.067 0.000 1.137 234 Y CA 1.015 58.968 58.100 -0.245 0.000 1.163 234 Y CB -0.332 38.036 38.460 -0.152 0.000 0.988 234 Y HN -0.116 nan 8.280 nan 0.000 0.518 235 V N 0.286 120.286 119.914 0.144 0.000 2.295 235 V HA -0.330 3.765 4.120 -0.042 0.000 0.246 235 V C 2.077 178.236 176.094 0.108 0.000 1.049 235 V CA 2.059 64.426 62.300 0.111 0.000 1.024 235 V CB -0.746 31.130 31.823 0.089 0.000 0.648 235 V HN 0.474 nan 8.190 nan 0.000 0.447 236 Q N 0.074 119.945 119.800 0.117 0.000 2.079 236 Q HA -0.132 4.183 4.340 -0.042 0.000 0.200 236 Q C 2.436 178.587 176.000 0.252 0.000 0.974 236 Q CA 1.668 57.559 55.803 0.146 0.000 0.840 236 Q CB -0.452 28.399 28.738 0.188 0.000 0.898 236 Q HN 0.650 nan 8.270 nan 0.000 0.430 237 A N 1.607 124.584 122.820 0.262 0.000 1.972 237 A HA -0.218 4.076 4.320 -0.042 0.000 0.219 237 A C 1.869 179.598 177.584 0.242 0.000 1.169 237 A CA 1.403 53.619 52.037 0.299 0.000 0.635 237 A CB -0.471 18.612 19.000 0.138 0.000 0.810 237 A HN 0.250 nan 8.150 nan 0.000 0.446 238 N N 0.555 119.358 118.700 0.172 0.000 2.006 238 N HA -0.152 4.563 4.740 -0.042 0.000 0.196 238 N C 2.017 177.573 175.510 0.076 0.000 1.057 238 N CA 1.904 55.033 53.050 0.132 0.000 0.853 238 N CB -0.760 37.816 38.487 0.147 0.000 1.051 238 N HN 0.369 nan 8.380 nan 0.000 0.423 239 A N 0.407 123.283 122.820 0.092 0.000 1.944 239 A HA -0.255 4.039 4.320 -0.042 0.000 0.222 239 A C 2.254 179.875 177.584 0.060 0.000 1.237 239 A CA 2.043 54.116 52.037 0.060 0.000 0.668 239 A CB -1.266 17.767 19.000 0.054 0.000 0.830 239 A HN 0.486 nan 8.150 nan 0.000 0.471 240 F N -0.061 119.885 119.950 -0.006 0.000 2.149 240 F HA -0.010 4.492 4.527 -0.042 0.000 0.294 240 F C 2.220 178.008 175.800 -0.019 0.000 1.095 240 F CA 1.613 59.615 58.000 0.003 0.000 1.276 240 F CB -0.432 38.641 39.000 0.121 0.000 1.023 240 F HN -0.005 nan 8.300 nan 0.000 0.480 241 V N 1.260 121.040 119.914 -0.223 0.000 2.594 241 V HA -0.260 3.835 4.120 -0.042 0.000 0.253 241 V C 2.492 178.302 176.094 -0.474 0.000 1.069 241 V CA 1.900 63.963 62.300 -0.395 0.000 1.082 241 V CB -0.647 31.057 31.823 -0.199 0.000 0.680 241 V HN 0.298 nan 8.190 nan 0.000 0.469 242 R N -0.420 119.848 120.500 -0.387 0.000 2.152 242 R HA -0.098 4.217 4.340 -0.042 0.000 0.232 242 R C 1.594 177.752 176.300 -0.237 0.000 1.117 242 R CA 1.454 57.375 56.100 -0.298 0.000 0.981 242 R CB -0.419 29.795 30.300 -0.143 0.000 0.870 242 R HN 0.408 nan 8.270 nan 0.000 0.451 243 T N 2.279 116.659 114.554 -0.289 0.000 3.609 243 T HA 0.178 4.502 4.350 -0.042 0.000 0.245 243 T C -0.136 174.409 174.700 -0.258 0.000 0.980 243 T CA 0.372 62.328 62.100 -0.239 0.000 0.940 243 T CB -0.708 68.028 68.868 -0.220 0.000 1.105 243 T HN 0.125 nan 8.240 nan 0.000 0.627 244 L N -2.330 118.752 121.223 -0.234 0.000 2.671 244 L HA 0.889 5.204 4.340 -0.042 0.000 0.259 244 L C -0.563 176.238 176.870 -0.114 0.000 1.021 244 L CA -1.540 53.192 54.840 -0.180 0.000 0.871 244 L CB 1.693 43.613 42.059 -0.231 0.000 1.472 244 L HN -0.305 nan 8.230 nan 0.000 0.410 245 K N 0.255 120.599 120.400 -0.094 0.000 2.518 245 K HA 0.317 4.611 4.320 -0.042 0.000 0.153 245 K C -0.367 176.193 176.600 -0.067 0.000 1.748 245 K CA 0.737 56.983 56.287 -0.069 0.000 0.592 245 K CB -0.597 31.873 32.500 -0.051 0.000 1.368 245 K HN 0.845 nan 8.250 nan 0.000 0.331 246 A N 1.079 123.855 122.820 -0.074 0.000 2.259 246 A HA 0.176 4.471 4.320 -0.042 0.000 0.208 246 A C 0.046 177.603 177.584 -0.046 0.000 1.201 246 A CA 0.670 52.674 52.037 -0.055 0.000 0.824 246 A CB -0.226 18.742 19.000 -0.052 0.000 0.838 246 A HN 0.410 nan 8.150 nan 0.000 0.485 247 E N -0.612 119.552 120.200 -0.061 0.000 2.252 247 E HA -0.183 4.142 4.350 -0.042 0.000 0.199 247 E C -0.251 176.312 176.600 -0.062 0.000 1.352 247 E CA 1.356 57.709 56.400 -0.080 0.000 0.682 247 E CB -1.695 27.956 29.700 -0.082 0.000 1.142 247 E HN 0.971 nan 8.360 nan 0.000 0.367 248 K N 0.898 121.265 120.400 -0.054 0.000 3.350 248 K HA 0.277 4.572 4.320 -0.042 0.000 0.167 248 K C -0.801 175.798 176.600 -0.001 0.000 1.058 248 K CA -0.557 55.721 56.287 -0.014 0.000 0.783 248 K CB 0.687 33.202 32.500 0.026 0.000 0.872 248 K HN 0.075 nan 8.250 nan 0.000 0.561 249 D N -0.205 120.177 120.400 -0.030 0.000 2.720 249 D HA 0.125 4.740 4.640 -0.042 0.000 0.239 249 D C -1.098 175.166 176.300 -0.060 0.000 1.218 249 D CA -0.489 53.525 54.000 0.024 0.000 0.748 249 D CB 0.378 41.191 40.800 0.021 0.000 1.387 249 D HN 0.022 nan 8.370 nan 0.000 0.438 250 Y N 0.053 120.366 120.300 0.023 0.000 2.862 250 Y HA 0.705 5.230 4.550 -0.042 0.000 0.347 250 Y C 0.559 176.482 175.900 0.039 0.000 1.234 250 Y CA -0.204 57.916 58.100 0.034 0.000 1.204 250 Y CB 1.705 40.189 38.460 0.041 0.000 1.464 250 Y HN 0.541 nan 8.280 nan 0.000 0.710 251 T N 0.132 114.886 114.554 0.333 0.000 4.063 251 T HA 0.187 4.512 4.350 -0.042 0.000 0.430 251 T C -2.540 172.296 174.700 0.227 0.000 1.293 251 T CA -0.553 61.663 62.100 0.192 0.000 1.109 251 T CB -0.233 68.692 68.868 0.095 0.000 1.320 251 T HN 0.410 nan 8.240 nan 0.000 0.456 252 Y N 4.641 124.990 120.300 0.081 0.000 2.376 252 Y HA 0.460 4.984 4.550 -0.042 0.000 0.340 252 Y C 1.067 176.990 175.900 0.039 0.000 0.965 252 Y CA -0.898 57.236 58.100 0.056 0.000 1.078 252 Y CB 1.573 40.054 38.460 0.034 0.000 1.193 252 Y HN 0.739 nan 8.280 nan 0.000 0.452 253 D N 3.747 123.335 120.400 -1.354 0.000 2.495 253 D HA -0.323 4.292 4.640 -0.042 0.000 0.201 253 D C 1.712 177.606 176.300 -0.677 0.000 1.041 253 D CA 2.643 56.085 54.000 -0.931 0.000 0.890 253 D CB 0.037 40.409 40.800 -0.714 0.000 1.089 253 D HN 0.779 nan 8.370 nan 0.000 0.471 254 I N -0.727 119.441 120.570 -0.671 0.000 2.330 254 I HA -0.144 4.001 4.170 -0.042 0.000 0.229 254 I C 1.035 177.157 176.117 0.008 0.000 1.063 254 I CA 0.585 61.824 61.300 -0.103 0.000 1.367 254 I CB 0.108 38.149 38.000 0.069 0.000 1.158 254 I HN -0.142 nan 8.210 nan 0.000 0.411 255 K N 1.255 121.754 120.400 0.165 0.000 2.997 255 K HA 0.181 4.475 4.320 -0.042 0.000 0.249 255 K C -1.061 175.612 176.600 0.122 0.000 1.284 255 K CA 0.100 56.438 56.287 0.085 0.000 1.245 255 K CB -0.475 32.036 32.500 0.019 0.000 1.670 255 K HN 0.451 nan 8.250 nan 0.000 0.385 256 T N 1.658 116.276 114.554 0.107 0.000 2.995 256 T HA -0.089 4.236 4.350 -0.042 0.000 0.456 256 T C -0.516 174.248 174.700 0.107 0.000 0.777 256 T CA 0.407 62.555 62.100 0.080 0.000 2.404 256 T CB -0.569 68.328 68.868 0.049 0.000 1.682 256 T HN 0.318 nan 8.240 nan 0.000 0.624 257 K N 0.809 121.296 120.400 0.146 0.000 3.122 257 K HA 0.541 4.835 4.320 -0.042 0.000 0.193 257 K C 0.507 177.165 176.600 0.097 0.000 1.141 257 K CA -0.281 56.059 56.287 0.087 0.000 0.975 257 K CB 1.061 33.591 32.500 0.050 0.000 1.173 257 K HN 0.723 nan 8.250 nan 0.000 0.546 258 A N 1.475 124.351 122.820 0.093 0.000 2.981 258 A HA 0.267 4.562 4.320 -0.042 0.000 0.280 258 A C 0.395 178.039 177.584 0.100 0.000 1.743 258 A CA -0.250 51.856 52.037 0.115 0.000 1.430 258 A CB -0.542 18.508 19.000 0.082 0.000 1.085 258 A HN 0.109 nan 8.150 nan 0.000 0.597 259 V N 1.362 121.349 119.914 0.123 0.000 2.743 259 V HA 0.182 4.277 4.120 -0.042 0.000 0.301 259 V C 0.642 176.891 176.094 0.258 0.000 1.057 259 V CA -0.696 61.660 62.300 0.092 0.000 1.006 259 V CB 1.381 33.138 31.823 -0.110 0.000 1.024 259 V HN 0.818 nan 8.190 nan 0.000 0.473 260 Q N 2.380 122.292 119.800 0.187 0.000 2.325 260 Q HA 0.122 4.437 4.340 -0.042 0.000 0.256 260 Q C 0.937 177.083 176.000 0.242 0.000 1.142 260 Q CA -0.120 55.794 55.803 0.185 0.000 0.902 260 Q CB 0.311 29.131 28.738 0.138 0.000 1.350 260 Q HN 0.706 nan 8.270 nan 0.000 0.449 261 L N 3.095 124.440 121.223 0.203 0.000 2.064 261 L HA -0.279 4.036 4.340 -0.042 0.000 0.234 261 L C 0.550 177.514 176.870 0.157 0.000 1.103 261 L CA 2.389 57.252 54.840 0.038 0.000 0.824 261 L CB -0.781 41.176 42.059 -0.170 0.000 0.919 261 L HN 0.780 nan 8.230 nan 0.000 0.447 262 T N -3.064 111.546 114.554 0.094 0.000 2.686 262 T HA 0.163 4.488 4.350 -0.042 0.000 0.308 262 T C 0.561 175.301 174.700 0.068 0.000 1.667 262 T CA -0.007 62.143 62.100 0.082 0.000 0.987 262 T CB 0.836 69.735 68.868 0.052 0.000 1.652 262 T HN 0.377 nan 8.240 nan 0.000 0.496 263 E N 0.999 121.234 120.200 0.057 0.000 2.301 263 E HA -0.260 4.065 4.350 -0.042 0.000 0.202 263 E C 1.246 177.878 176.600 0.053 0.000 1.017 263 E CA 1.828 58.261 56.400 0.056 0.000 0.831 263 E CB -0.229 29.496 29.700 0.040 0.000 0.742 263 E HN 0.763 nan 8.360 nan 0.000 0.491 264 E N 0.633 120.858 120.200 0.042 0.000 2.118 264 E HA -0.117 4.208 4.350 -0.042 0.000 0.195 264 E C 2.250 178.886 176.600 0.060 0.000 0.992 264 E CA 1.306 57.729 56.400 0.038 0.000 0.804 264 E CB -0.356 29.356 29.700 0.019 0.000 0.741 264 E HN 0.478 nan 8.360 nan 0.000 0.458 265 G N 0.551 109.392 108.800 0.069 0.000 2.408 265 G HA2 -0.166 3.768 3.960 -0.042 0.000 0.215 265 G HA3 -0.166 3.768 3.960 -0.042 0.000 0.215 265 G C 1.537 176.528 174.900 0.151 0.000 1.156 265 G CA 0.422 45.585 45.100 0.106 0.000 0.793 265 G HN 0.055 nan 8.290 nan 0.000 0.535 266 M N 0.524 120.190 119.600 0.110 0.000 2.193 266 M HA 0.003 4.458 4.480 -0.042 0.000 0.265 266 M C 2.689 179.029 176.300 0.067 0.000 1.071 266 M CA 1.260 56.611 55.300 0.085 0.000 1.140 266 M CB -1.131 31.520 32.600 0.085 0.000 1.369 266 M HN 0.063 nan 8.290 nan 0.000 0.423 267 T N 1.720 116.315 114.554 0.067 0.000 2.624 267 T HA -0.173 4.152 4.350 -0.042 0.000 0.268 267 T C 1.870 176.610 174.700 0.067 0.000 1.041 267 T CA 1.611 63.742 62.100 0.052 0.000 1.159 267 T CB -0.259 68.637 68.868 0.047 0.000 0.863 267 T HN 0.401 nan 8.240 nan 0.000 0.434 268 K N 1.105 121.575 120.400 0.116 0.000 2.057 268 K HA 0.046 4.341 4.320 -0.042 0.000 0.207 268 K C 2.755 179.454 176.600 0.164 0.000 1.049 268 K CA 1.107 57.500 56.287 0.177 0.000 0.931 268 K CB -0.372 32.280 32.500 0.253 0.000 0.714 268 K HN 0.306 nan 8.250 nan 0.000 0.440 269 A N 2.143 125.045 122.820 0.137 0.000 1.892 269 A HA -0.262 4.032 4.320 -0.042 0.000 0.218 269 A C 1.962 179.476 177.584 -0.118 0.000 1.188 269 A CA 1.903 53.821 52.037 -0.198 0.000 0.631 269 A CB -0.524 18.405 19.000 -0.118 0.000 0.822 269 A HN 0.366 nan 8.150 nan 0.000 0.447 270 E N -0.826 119.340 120.200 -0.056 0.000 2.152 270 E HA -0.145 4.180 4.350 -0.042 0.000 0.192 270 E C 2.081 178.668 176.600 -0.021 0.000 0.983 270 E CA 1.168 57.539 56.400 -0.048 0.000 0.818 270 E CB -0.084 29.592 29.700 -0.040 0.000 0.758 270 E HN 0.684 nan 8.360 nan 0.000 0.467 271 K N 0.877 121.272 120.400 -0.008 0.000 2.062 271 K HA -0.047 4.248 4.320 -0.042 0.000 0.205 271 K C 2.150 178.724 176.600 -0.042 0.000 1.051 271 K CA 0.960 57.241 56.287 -0.009 0.000 0.941 271 K CB -0.030 32.478 32.500 0.014 0.000 0.719 271 K HN 0.076 nan 8.250 nan 0.000 0.440 272 A N 0.492 123.270 122.820 -0.070 0.000 1.877 272 A HA -0.094 4.201 4.320 -0.042 0.000 0.216 272 A C 1.572 178.927 177.584 -0.381 0.000 1.186 272 A CA 1.144 53.058 52.037 -0.204 0.000 0.620 272 A CB -0.623 18.224 19.000 -0.255 0.000 0.822 272 A HN 0.353 nan 8.150 nan 0.000 0.443 273 F N 0.263 120.065 119.950 -0.247 0.000 2.731 273 F HA 0.313 4.814 4.527 -0.042 0.000 0.304 273 F C 1.788 177.493 175.800 -0.157 0.000 1.133 273 F CA 0.367 58.238 58.000 -0.215 0.000 1.380 273 F CB -0.371 38.454 39.000 -0.292 0.000 1.079 273 F HN 0.329 nan 8.300 nan 0.000 0.550 274 G N 1.877 110.664 108.800 -0.022 0.000 2.416 274 G HA2 -0.329 3.606 3.960 -0.042 0.000 0.301 274 G HA3 -0.329 3.606 3.960 -0.042 0.000 0.301 274 G C 0.256 175.147 174.900 -0.015 0.000 0.985 274 G CA 0.221 45.308 45.100 -0.022 0.000 0.934 274 G HN 0.444 nan 8.290 nan 0.000 0.513 275 I N 0.122 120.673 120.570 -0.031 0.000 2.525 275 I HA 0.220 4.365 4.170 -0.042 0.000 0.301 275 I C 1.442 177.521 176.117 -0.064 0.000 0.992 275 I CA -0.765 60.485 61.300 -0.084 0.000 1.162 275 I CB 0.801 38.659 38.000 -0.237 0.000 1.332 275 I HN 0.303 nan 8.210 nan 0.000 0.458 276 D N 4.984 125.357 120.400 -0.045 0.000 2.077 276 D HA -0.145 4.470 4.640 -0.042 0.000 0.197 276 D C 0.269 176.557 176.300 -0.021 0.000 0.983 276 D CA 1.151 55.140 54.000 -0.019 0.000 0.841 276 D CB -0.119 40.682 40.800 0.003 0.000 0.992 276 D HN 0.407 nan 8.370 nan 0.000 0.450 277 N N -0.737 117.952 118.700 -0.019 0.000 2.249 277 N HA 0.151 4.866 4.740 -0.042 0.000 0.296 277 N C -0.022 175.461 175.510 -0.045 0.000 1.051 277 N CA -0.567 52.479 53.050 -0.006 0.000 0.815 277 N CB 2.220 40.727 38.487 0.034 0.000 1.487 277 N HN 0.015 nan 8.380 nan 0.000 0.475 278 L N 1.792 122.969 121.223 -0.077 0.000 2.395 278 L HA 0.232 4.547 4.340 -0.042 0.000 0.218 278 L C 0.223 176.918 176.870 -0.291 0.000 1.130 278 L CA 0.691 55.402 54.840 -0.215 0.000 0.826 278 L CB -0.073 41.828 42.059 -0.262 0.000 0.941 278 L HN 0.583 nan 8.230 nan 0.000 0.451 279 F N -0.490 119.420 119.950 -0.066 0.000 2.730 279 F HA 0.146 4.648 4.527 -0.042 0.000 0.295 279 F C 0.494 176.280 175.800 -0.024 0.000 1.143 279 F CA -0.694 57.256 58.000 -0.083 0.000 1.367 279 F CB 0.260 39.177 39.000 -0.139 0.000 0.970 279 F HN -0.027 nan 8.300 nan 0.000 0.514 280 D N -0.380 120.091 120.400 0.118 0.000 2.302 280 D HA 0.103 4.718 4.640 -0.042 0.000 0.248 280 D C 1.467 177.836 176.300 0.115 0.000 1.094 280 D CA 0.011 54.076 54.000 0.108 0.000 0.897 280 D CB 1.501 42.363 40.800 0.103 0.000 1.200 280 D HN 0.033 nan 8.370 nan 0.000 0.429 281 V N 1.600 121.566 119.914 0.086 0.000 2.660 281 V HA -0.250 3.845 4.120 -0.042 0.000 0.257 281 V C 1.815 177.912 176.094 0.005 0.000 1.088 281 V CA 1.216 63.562 62.300 0.077 0.000 1.106 281 V CB -0.766 31.082 31.823 0.041 0.000 0.686 281 V HN 0.526 nan 8.190 nan 0.000 0.481 282 K N -0.210 120.167 120.400 -0.038 0.000 2.211 282 K HA -0.097 4.197 4.320 -0.042 0.000 0.204 282 K C 0.633 176.950 176.600 -0.471 0.000 1.047 282 K CA 1.290 57.439 56.287 -0.229 0.000 0.935 282 K CB -0.238 32.138 32.500 -0.206 0.000 0.728 282 K HN 0.678 nan 8.250 nan 0.000 0.452 283 H N 0.169 119.215 119.070 -0.040 0.000 2.336 283 H HA 0.123 4.654 4.556 -0.042 0.000 0.230 283 H C 0.958 176.263 175.328 -0.039 0.000 1.426 283 H CA -0.264 55.734 56.048 -0.083 0.000 1.359 283 H CB 0.598 30.276 29.762 -0.140 0.000 1.555 283 H HN -0.158 nan 8.280 nan 0.000 0.512 284 V N 0.336 120.284 119.914 0.057 0.000 2.379 284 V HA -0.173 3.922 4.120 -0.042 0.000 0.245 284 V C 2.577 178.684 176.094 0.021 0.000 1.044 284 V CA 1.822 64.183 62.300 0.101 0.000 1.036 284 V CB -0.500 31.277 31.823 -0.077 0.000 0.664 284 V HN 0.584 nan 8.190 nan 0.000 0.453 285 A N 0.228 122.987 122.820 -0.102 0.000 1.855 285 A HA -0.160 4.135 4.320 -0.042 0.000 0.215 285 A C 2.177 179.596 177.584 -0.275 0.000 1.191 285 A CA 1.961 53.852 52.037 -0.243 0.000 0.613 285 A CB -0.675 18.129 19.000 -0.326 0.000 0.829 285 A HN 0.394 nan 8.150 nan 0.000 0.442 286 L N 0.931 122.052 121.223 -0.170 0.000 1.989 286 L HA -0.226 4.089 4.340 -0.042 0.000 0.211 286 L C 2.206 178.959 176.870 -0.195 0.000 1.071 286 L CA 2.463 57.181 54.840 -0.202 0.000 0.749 286 L CB -1.086 40.844 42.059 -0.215 0.000 0.890 286 L HN 0.552 nan 8.230 nan 0.000 0.431 287 N N -0.905 117.702 118.700 -0.155 0.000 2.021 287 N HA -0.296 4.419 4.740 -0.042 0.000 0.198 287 N C 2.031 177.493 175.510 -0.081 0.000 1.041 287 N CA 2.087 55.026 53.050 -0.185 0.000 0.862 287 N CB -0.351 38.026 38.487 -0.183 0.000 1.048 287 N HN 0.554 nan 8.380 nan 0.000 0.427 288 H N -0.568 118.501 119.070 -0.001 0.000 2.457 288 H HA -0.030 4.501 4.556 -0.042 0.000 0.294 288 H C 1.792 177.176 175.328 0.092 0.000 1.064 288 H CA 0.908 56.983 56.048 0.045 0.000 1.330 288 H CB -0.055 29.711 29.762 0.008 0.000 1.395 288 H HN 0.534 nan 8.280 nan 0.000 0.541 289 H N -0.240 118.845 119.070 0.026 0.000 2.353 289 H HA -0.079 4.452 4.556 -0.042 0.000 0.300 289 H C 2.387 177.717 175.328 0.004 0.000 1.090 289 H CA 0.789 56.821 56.048 -0.026 0.000 1.327 289 H CB 0.404 30.086 29.762 -0.134 0.000 1.383 289 H HN 0.232 nan 8.280 nan 0.000 0.508 290 I N 0.661 121.279 120.570 0.080 0.000 2.252 290 I HA -0.254 3.891 4.170 -0.042 0.000 0.245 290 I C 1.990 178.152 176.117 0.075 0.000 1.102 290 I CA 0.807 62.141 61.300 0.057 0.000 1.385 290 I CB -0.186 37.787 38.000 -0.046 0.000 1.064 290 I HN 0.294 nan 8.210 nan 0.000 0.414 291 N N 0.559 119.271 118.700 0.021 0.000 2.120 291 N HA -0.173 4.542 4.740 -0.042 0.000 0.188 291 N C 1.845 177.392 175.510 0.062 0.000 1.024 291 N CA 1.098 54.155 53.050 0.012 0.000 0.852 291 N CB -0.261 38.172 38.487 -0.090 0.000 1.003 291 N HN 0.283 nan 8.380 nan 0.000 0.424 292 Q N 0.438 120.303 119.800 0.108 0.000 2.135 292 Q HA 0.004 4.318 4.340 -0.042 0.000 0.204 292 Q C 1.957 178.028 176.000 0.119 0.000 0.981 292 Q CA 1.237 57.119 55.803 0.131 0.000 0.856 292 Q CB -0.611 28.250 28.738 0.205 0.000 0.902 292 Q HN 0.403 nan 8.270 nan 0.000 0.425 293 A N 0.478 123.381 122.820 0.139 0.000 1.969 293 A HA -0.126 4.169 4.320 -0.042 0.000 0.218 293 A C 2.093 179.776 177.584 0.165 0.000 1.169 293 A CA 0.906 53.043 52.037 0.166 0.000 0.635 293 A CB -0.390 18.702 19.000 0.154 0.000 0.810 293 A HN 0.252 nan 8.150 nan 0.000 0.445 294 L N -0.057 121.229 121.223 0.104 0.000 2.005 294 L HA -0.100 4.215 4.340 -0.042 0.000 0.207 294 L C 2.332 179.255 176.870 0.088 0.000 1.072 294 L CA 2.345 57.233 54.840 0.081 0.000 0.744 294 L CB -0.884 41.214 42.059 0.064 0.000 0.895 294 L HN 0.491 nan 8.230 nan 0.000 0.433 295 K N -0.840 119.598 120.400 0.063 0.000 2.015 295 K HA -0.277 4.018 4.320 -0.042 0.000 0.216 295 K C 1.999 178.602 176.600 0.004 0.000 1.052 295 K CA 1.956 58.259 56.287 0.027 0.000 0.937 295 K CB -0.330 32.175 32.500 0.009 0.000 0.719 295 K HN 0.340 nan 8.250 nan 0.000 0.446 296 A N 0.675 123.491 122.820 -0.006 0.000 1.869 296 A HA -0.276 4.019 4.320 -0.042 0.000 0.218 296 A C 1.938 179.506 177.584 -0.027 0.000 1.203 296 A CA 2.318 54.317 52.037 -0.064 0.000 0.638 296 A CB -1.155 17.804 19.000 -0.069 0.000 0.831 296 A HN 0.564 nan 8.150 nan 0.000 0.450 297 H N -1.771 117.292 119.070 -0.011 0.000 2.284 297 H HA 0.015 4.546 4.556 -0.042 0.000 0.304 297 H C 2.148 177.478 175.328 0.004 0.000 1.069 297 H CA 1.774 57.824 56.048 0.002 0.000 1.327 297 H CB -0.157 29.602 29.762 -0.004 0.000 1.387 297 H HN 0.212 nan 8.280 nan 0.000 0.498 298 V N -0.223 119.773 119.914 0.138 0.000 2.488 298 V HA -0.050 4.045 4.120 -0.042 0.000 0.246 298 V C 2.073 178.189 176.094 0.037 0.000 1.046 298 V CA 1.580 63.925 62.300 0.074 0.000 1.053 298 V CB -0.317 31.542 31.823 0.061 0.000 0.679 298 V HN 0.544 nan 8.190 nan 0.000 0.458 299 A N -1.737 121.097 122.820 0.024 0.000 2.343 299 A HA 0.408 4.703 4.320 -0.042 0.000 0.223 299 A C 0.910 178.488 177.584 -0.009 0.000 1.214 299 A CA 0.173 52.207 52.037 -0.004 0.000 0.900 299 A CB 0.078 19.070 19.000 -0.013 0.000 0.942 299 A HN 0.355 nan 8.150 nan 0.000 0.507 300 M N -0.629 118.977 119.600 0.010 0.000 2.598 300 M HA 0.595 5.050 4.480 -0.042 0.000 0.317 300 M C -0.776 175.572 176.300 0.080 0.000 1.201 300 M CA -0.643 54.692 55.300 0.058 0.000 0.971 300 M CB 1.089 33.734 32.600 0.074 0.000 1.657 300 M HN 0.116 nan 8.290 nan 0.000 0.470 301 Q N 0.606 120.426 119.800 0.033 0.000 2.304 301 Q HA 0.316 4.630 4.340 -0.042 0.000 0.270 301 Q C 0.073 175.754 176.000 -0.532 0.000 1.035 301 Q CA -0.139 55.580 55.803 -0.141 0.000 0.781 301 Q CB 1.911 30.591 28.738 -0.098 0.000 1.261 301 Q HN 0.666 nan 8.270 nan 0.000 0.444 302 K N 2.251 122.345 120.400 -0.510 0.000 2.515 302 K HA -0.048 4.247 4.320 -0.042 0.000 0.196 302 K C -0.287 175.963 176.600 -0.585 0.000 1.038 302 K CA 1.390 57.183 56.287 -0.822 0.000 0.967 302 K CB 0.488 32.828 32.500 -0.266 0.000 0.780 302 K HN 0.542 nan 8.250 nan 0.000 0.483 303 D N -1.188 118.991 120.400 -0.368 0.000 2.516 303 D HA 0.041 4.656 4.640 -0.042 0.000 0.241 303 D C 0.889 177.096 176.300 -0.155 0.000 1.246 303 D CA 0.137 54.004 54.000 -0.223 0.000 0.808 303 D CB 1.028 41.750 40.800 -0.131 0.000 1.147 303 D HN -0.027 nan 8.370 nan 0.000 0.527 304 V N 0.296 120.109 119.914 -0.169 0.000 2.484 304 V HA -0.006 4.089 4.120 -0.042 0.000 0.236 304 V C 1.616 177.680 176.094 -0.050 0.000 1.062 304 V CA 1.231 63.484 62.300 -0.079 0.000 1.081 304 V CB 0.039 31.826 31.823 -0.059 0.000 0.751 304 V HN -0.108 nan 8.190 nan 0.000 0.484 305 D N -1.452 118.907 120.400 -0.069 0.000 2.162 305 D HA 0.044 4.659 4.640 -0.042 0.000 0.205 305 D C 0.225 176.649 176.300 0.206 0.000 0.964 305 D CA 1.097 55.152 54.000 0.092 0.000 0.847 305 D CB 0.250 41.153 40.800 0.172 0.000 0.988 305 D HN 0.633 nan 8.370 nan 0.000 0.480 306 Y N -2.654 117.708 120.300 0.103 0.000 2.728 306 Y HA 0.679 5.204 4.550 -0.042 0.000 0.330 306 Y C -1.166 174.757 175.900 0.038 0.000 1.234 306 Y CA -1.324 56.831 58.100 0.092 0.000 1.070 306 Y CB 0.851 39.401 38.460 0.150 0.000 1.300 306 Y HN -0.313 nan 8.280 nan 0.000 0.467 307 V N 0.393 120.459 119.914 0.253 0.000 3.181 307 V HA 0.697 4.792 4.120 -0.042 0.000 0.308 307 V C -1.284 174.938 176.094 0.214 0.000 1.214 307 V CA -1.032 61.342 62.300 0.124 0.000 1.053 307 V CB 2.368 34.220 31.823 0.048 0.000 1.069 307 V HN 0.737 nan 8.190 nan 0.000 0.441 308 V N 1.247 121.233 119.914 0.121 0.000 2.487 308 V HA 0.610 4.705 4.120 -0.042 0.000 0.298 308 V C -0.671 175.454 176.094 0.051 0.000 1.028 308 V CA -0.445 61.910 62.300 0.093 0.000 0.860 308 V CB 1.568 33.444 31.823 0.088 0.000 0.991 308 V HN 0.916 nan 8.190 nan 0.000 0.427 309 E N 2.913 123.138 120.200 0.042 0.000 2.343 309 E HA 0.336 4.661 4.350 -0.042 0.000 0.260 309 E C -1.195 175.418 176.600 0.022 0.000 0.908 309 E CA -0.551 55.865 56.400 0.027 0.000 0.814 309 E CB 1.324 31.037 29.700 0.023 0.000 1.302 309 E HN 0.793 nan 8.360 nan 0.000 0.408 310 D N 2.453 122.863 120.400 0.017 0.000 2.772 310 D HA -0.223 4.391 4.640 -0.042 0.000 0.233 310 D C 0.889 177.197 176.300 0.014 0.000 1.143 310 D CA 1.768 55.776 54.000 0.013 0.000 0.700 310 D CB -1.254 39.552 40.800 0.011 0.000 1.076 310 D HN 0.993 nan 8.370 nan 0.000 0.430 311 G N -0.984 107.825 108.800 0.016 0.000 2.253 311 G HA2 -0.369 3.566 3.960 -0.042 0.000 0.251 311 G HA3 -0.369 3.566 3.960 -0.042 0.000 0.251 311 G C 0.358 175.267 174.900 0.014 0.000 0.998 311 G CA 0.564 45.671 45.100 0.012 0.000 0.621 311 G HN 0.519 nan 8.290 nan 0.000 0.524 312 Q N -0.441 119.374 119.800 0.025 0.000 2.382 312 Q HA 0.541 4.856 4.340 -0.042 0.000 0.229 312 Q C -0.082 175.943 176.000 0.042 0.000 1.006 312 Q CA -0.142 55.686 55.803 0.041 0.000 0.916 312 Q CB 1.715 30.482 28.738 0.048 0.000 1.235 312 Q HN 0.203 nan 8.270 nan 0.000 0.512 313 V N 2.572 122.519 119.914 0.056 0.000 2.275 313 V HA 0.199 4.294 4.120 -0.042 0.000 0.272 313 V C -0.554 175.590 176.094 0.083 0.000 1.028 313 V CA -0.517 61.775 62.300 -0.013 0.000 0.810 313 V CB 1.127 32.762 31.823 -0.314 0.000 1.043 313 V HN 0.446 nan 8.190 nan 0.000 0.453 314 V N 5.593 125.574 119.914 0.112 0.000 2.465 314 V HA 0.401 4.496 4.120 -0.042 0.000 0.279 314 V C 0.500 176.661 176.094 0.111 0.000 1.045 314 V CA -0.590 61.770 62.300 0.100 0.000 0.938 314 V CB 1.576 33.436 31.823 0.062 0.000 0.986 314 V HN 0.546 nan 8.190 nan 0.000 0.467 315 I N 4.540 125.141 120.570 0.051 0.000 2.692 315 I HA 0.222 4.366 4.170 -0.042 0.000 0.284 315 I C 0.085 176.231 176.117 0.047 0.000 1.159 315 I CA 0.310 61.629 61.300 0.032 0.000 1.423 315 I CB 0.994 38.942 38.000 -0.087 0.000 1.380 315 I HN 0.278 nan 8.210 nan 0.000 0.580 316 V N 4.650 124.604 119.914 0.066 0.000 2.735 316 V HA 0.196 4.291 4.120 -0.042 0.000 0.310 316 V C -0.020 176.109 176.094 0.059 0.000 1.061 316 V CA -0.669 61.661 62.300 0.050 0.000 0.913 316 V CB 2.359 34.204 31.823 0.036 0.000 1.005 316 V HN 0.656 nan 8.190 nan 0.000 0.428 317 D N 2.426 122.863 120.400 0.062 0.000 2.558 317 D HA 0.169 4.783 4.640 -0.042 0.000 0.221 317 D C 1.385 177.743 176.300 0.096 0.000 1.143 317 D CA 0.317 54.370 54.000 0.087 0.000 1.010 317 D CB 0.699 41.559 40.800 0.100 0.000 1.068 317 D HN 0.547 nan 8.370 nan 0.000 0.511 318 S N 1.578 117.330 115.700 0.087 0.000 2.490 318 S HA -0.320 4.125 4.470 -0.042 0.000 0.291 318 S C 1.577 176.244 174.600 0.110 0.000 1.182 318 S CA 1.542 59.792 58.200 0.083 0.000 1.215 318 S CB -0.527 62.726 63.200 0.088 0.000 1.176 318 S HN 0.683 nan 8.310 nan 0.000 0.440 319 F N 1.371 121.333 119.950 0.019 0.000 2.075 319 F HA -0.116 4.386 4.527 -0.042 0.000 0.297 319 F C 2.815 178.628 175.800 0.022 0.000 1.113 319 F CA 2.095 60.106 58.000 0.018 0.000 1.218 319 F CB -0.883 38.129 39.000 0.020 0.000 0.984 319 F HN 0.288 nan 8.300 nan 0.000 0.472 320 T N -1.116 113.420 114.554 -0.031 0.000 3.065 320 T HA 0.211 4.536 4.350 -0.042 0.000 0.252 320 T C 1.582 176.256 174.700 -0.043 0.000 1.099 320 T CA 0.952 62.990 62.100 -0.102 0.000 1.063 320 T CB -0.810 68.094 68.868 0.061 0.000 0.948 320 T HN 0.707 nan 8.240 nan 0.000 0.506 321 G N 1.850 110.644 108.800 -0.010 0.000 2.180 321 G HA2 -0.332 3.603 3.960 -0.042 0.000 0.263 321 G HA3 -0.332 3.603 3.960 -0.042 0.000 0.263 321 G C 0.196 175.116 174.900 0.034 0.000 0.989 321 G CA 0.547 45.650 45.100 0.005 0.000 0.692 321 G HN 0.809 nan 8.290 nan 0.000 0.526 322 R N -0.106 120.431 120.500 0.062 0.000 2.489 322 R HA 0.385 4.699 4.340 -0.042 0.000 0.287 322 R C 0.381 176.696 176.300 0.025 0.000 1.053 322 R CA -0.451 55.689 56.100 0.067 0.000 1.036 322 R CB 0.042 30.410 30.300 0.113 0.000 0.966 322 R HN 0.226 nan 8.270 nan 0.000 0.432 323 L N 6.112 127.328 121.223 -0.011 0.000 2.363 323 L HA 0.181 4.496 4.340 -0.042 0.000 0.286 323 L C 0.288 177.143 176.870 -0.026 0.000 1.106 323 L CA -0.105 54.727 54.840 -0.013 0.000 0.859 323 L CB 0.900 42.947 42.059 -0.020 0.000 1.223 323 L HN 0.516 nan 8.230 nan 0.000 0.446 324 M N 4.432 124.029 119.600 -0.006 0.000 2.869 324 M HA 0.110 4.565 4.480 -0.042 0.000 0.299 324 M C 0.024 176.312 176.300 -0.019 0.000 1.508 324 M CA 0.431 55.724 55.300 -0.011 0.000 1.551 324 M CB -0.639 31.961 32.600 0.000 0.000 1.384 324 M HN 0.423 nan 8.290 nan 0.000 0.491 325 K N 0.731 121.116 120.400 -0.024 0.000 2.218 325 K HA 0.493 4.788 4.320 -0.042 0.000 0.276 325 K C 1.091 177.682 176.600 -0.014 0.000 1.022 325 K CA 0.338 56.614 56.287 -0.017 0.000 0.946 325 K CB 1.261 33.751 32.500 -0.018 0.000 1.000 325 K HN 0.840 nan 8.250 nan 0.000 0.468 326 G N 2.360 111.148 108.800 -0.020 0.000 2.339 326 G HA2 -0.244 3.691 3.960 -0.042 0.000 0.209 326 G HA3 -0.244 3.691 3.960 -0.042 0.000 0.209 326 G C -0.091 174.770 174.900 -0.066 0.000 1.015 326 G CA -0.562 44.526 45.100 -0.019 0.000 0.635 326 G HN 0.546 nan 8.290 nan 0.000 0.499 327 R N 1.568 122.018 120.500 -0.082 0.000 2.316 327 R HA 0.537 4.852 4.340 -0.042 0.000 0.314 327 R C 0.952 177.127 176.300 -0.208 0.000 1.069 327 R CA -0.207 55.815 56.100 -0.129 0.000 0.959 327 R CB 0.754 30.981 30.300 -0.122 0.000 0.987 327 R HN 0.208 nan 8.270 nan 0.000 0.446 328 R N 1.805 122.149 120.500 -0.259 0.000 2.523 328 R HA 0.308 4.623 4.340 -0.042 0.000 0.223 328 R C -0.494 175.706 176.300 -0.165 0.000 1.280 328 R CA -0.523 55.318 56.100 -0.431 0.000 1.047 328 R CB 0.548 30.617 30.300 -0.384 0.000 1.650 328 R HN 0.529 nan 8.270 nan 0.000 0.545 329 Y N 0.464 120.848 120.300 0.140 0.000 2.402 329 Y HA 0.128 4.653 4.550 -0.041 0.000 0.325 329 Y C 0.119 176.085 175.900 0.110 0.000 1.009 329 Y CA -0.707 57.499 58.100 0.176 0.000 1.278 329 Y CB 1.605 40.194 38.460 0.215 0.000 1.105 329 Y HN 0.534 nan 8.280 nan 0.000 0.476 330 S N 1.481 117.323 115.700 0.237 0.000 2.580 330 S HA 0.047 4.492 4.470 -0.042 0.000 0.266 330 S C 0.342 175.042 174.600 0.166 0.000 1.354 330 S CA -0.375 57.922 58.200 0.162 0.000 1.008 330 S CB 0.742 64.029 63.200 0.145 0.000 0.898 330 S HN 0.822 nan 8.310 nan 0.000 0.555 331 E N -0.251 120.026 120.200 0.128 0.000 2.358 331 E HA -0.131 4.193 4.350 -0.042 0.000 0.246 331 E C 0.757 177.460 176.600 0.173 0.000 1.127 331 E CA 0.593 57.064 56.400 0.118 0.000 0.726 331 E CB -1.752 28.007 29.700 0.098 0.000 1.272 331 E HN 1.620 nan 8.360 nan 0.000 0.390 332 G N -0.361 108.556 108.800 0.195 0.000 2.168 332 G HA2 -0.345 3.590 3.960 -0.042 0.000 0.257 332 G HA3 -0.345 3.590 3.960 -0.042 0.000 0.257 332 G C 0.631 175.666 174.900 0.225 0.000 0.997 332 G CA 0.580 45.846 45.100 0.277 0.000 0.708 332 G HN 0.587 nan 8.290 nan 0.000 0.520 333 L N -0.576 120.751 121.223 0.173 0.000 2.307 333 L HA 0.295 4.609 4.340 -0.042 0.000 0.211 333 L C 2.151 179.038 176.870 0.029 0.000 1.099 333 L CA 2.117 57.005 54.840 0.080 0.000 0.816 333 L CB -0.377 41.694 42.059 0.019 0.000 0.952 333 L HN 0.416 nan 8.230 nan 0.000 0.455 334 H N -0.555 118.554 119.070 0.065 0.000 2.326 334 H HA -0.128 4.403 4.556 -0.041 0.000 0.301 334 H C 1.967 177.230 175.328 -0.109 0.000 1.081 334 H CA 2.093 58.181 56.048 0.067 0.000 1.334 334 H CB 0.426 30.242 29.762 0.089 0.000 1.385 334 H HN 0.427 nan 8.280 nan 0.000 0.504 335 Q N 0.206 119.953 119.800 -0.090 0.000 2.084 335 Q HA -0.060 4.255 4.340 -0.042 0.000 0.202 335 Q C 2.462 178.215 176.000 -0.410 0.000 0.978 335 Q CA 1.338 56.895 55.803 -0.410 0.000 0.844 335 Q CB -0.149 28.011 28.738 -0.963 0.000 0.898 335 Q HN 0.441 nan 8.270 nan 0.000 0.426 336 A N 0.897 123.580 122.820 -0.228 0.000 1.837 336 A HA -0.269 4.025 4.320 -0.042 0.000 0.216 336 A C 2.058 179.562 177.584 -0.134 0.000 1.210 336 A CA 1.812 53.817 52.037 -0.053 0.000 0.632 336 A CB -1.107 17.922 19.000 0.048 0.000 0.843 336 A HN 0.359 nan 8.150 nan 0.000 0.448 337 I N -0.568 119.868 120.570 -0.223 0.000 2.121 337 I HA -0.401 3.744 4.170 -0.042 0.000 0.243 337 I C 2.540 178.477 176.117 -0.299 0.000 1.047 337 I CA 2.274 63.364 61.300 -0.351 0.000 1.308 337 I CB -0.513 37.125 38.000 -0.604 0.000 1.015 337 I HN 0.500 nan 8.210 nan 0.000 0.410 338 E N 0.169 120.205 120.200 -0.274 0.000 2.108 338 E HA -0.322 4.003 4.350 -0.042 0.000 0.203 338 E C 2.200 178.724 176.600 -0.127 0.000 1.022 338 E CA 1.831 58.117 56.400 -0.191 0.000 0.823 338 E CB -0.234 29.371 29.700 -0.158 0.000 0.744 338 E HN 0.609 nan 8.360 nan 0.000 0.456 339 A N 0.874 123.627 122.820 -0.112 0.000 1.897 339 A HA -0.168 4.127 4.320 -0.042 0.000 0.215 339 A C 1.835 179.410 177.584 -0.014 0.000 1.181 339 A CA 1.273 53.286 52.037 -0.040 0.000 0.620 339 A CB -0.187 18.815 19.000 0.003 0.000 0.821 339 A HN 0.019 nan 8.150 nan 0.000 0.443 340 K N 0.396 120.771 120.400 -0.042 0.000 2.025 340 K HA -0.083 4.212 4.320 -0.042 0.000 0.207 340 K C 1.576 178.127 176.600 -0.082 0.000 1.049 340 K CA 1.151 57.404 56.287 -0.057 0.000 0.933 340 K CB -0.735 31.603 32.500 -0.270 0.000 0.714 340 K HN 0.392 nan 8.250 nan 0.000 0.438 341 E N 0.370 120.509 120.200 -0.101 0.000 2.070 341 E HA -0.129 4.195 4.350 -0.042 0.000 0.197 341 E C 0.905 177.492 176.600 -0.021 0.000 1.004 341 E CA 1.601 57.973 56.400 -0.045 0.000 0.805 341 E CB -0.358 29.322 29.700 -0.034 0.000 0.744 341 E HN 0.590 nan 8.360 nan 0.000 0.451 342 G N 0.266 109.050 108.800 -0.026 0.000 2.455 342 G HA2 -0.164 3.771 3.960 -0.042 0.000 0.169 342 G HA3 -0.164 3.771 3.960 -0.042 0.000 0.169 342 G C -0.114 174.780 174.900 -0.010 0.000 1.074 342 G CA 0.145 45.241 45.100 -0.007 0.000 0.796 342 G HN 0.073 nan 8.290 nan 0.000 0.489 343 L N -0.294 120.915 121.223 -0.024 0.000 2.331 343 L HA 0.654 4.969 4.340 -0.042 0.000 0.268 343 L C 1.047 177.905 176.870 -0.021 0.000 1.015 343 L CA -1.284 53.544 54.840 -0.020 0.000 0.807 343 L CB 1.058 43.099 42.059 -0.030 0.000 1.293 343 L HN 0.456 nan 8.230 nan 0.000 0.451 344 E N 1.438 121.630 120.200 -0.013 0.000 2.220 344 E HA 0.131 4.456 4.350 -0.042 0.000 0.272 344 E C -0.501 176.084 176.600 -0.025 0.000 1.099 344 E CA -0.514 55.880 56.400 -0.011 0.000 0.907 344 E CB 0.418 30.117 29.700 -0.002 0.000 1.022 344 E HN 0.411 nan 8.360 nan 0.000 0.428 345 I N 4.415 124.962 120.570 -0.039 0.000 3.388 345 I HA -0.224 3.921 4.170 -0.042 0.000 0.298 345 I C 1.795 177.879 176.117 -0.054 0.000 1.238 345 I CA 0.436 61.686 61.300 -0.082 0.000 1.376 345 I CB -0.092 37.849 38.000 -0.098 0.000 1.470 345 I HN 0.711 nan 8.210 nan 0.000 0.547 346 Q N 4.426 124.199 119.800 -0.044 0.000 2.291 346 Q HA -0.052 4.263 4.340 -0.042 0.000 0.205 346 Q C 0.337 176.329 176.000 -0.012 0.000 0.970 346 Q CA 1.150 56.944 55.803 -0.015 0.000 0.876 346 Q CB 0.256 28.997 28.738 0.004 0.000 0.935 346 Q HN 0.658 nan 8.270 nan 0.000 0.455 347 N N 0.167 118.854 118.700 -0.021 0.000 2.240 347 N HA 0.111 4.826 4.740 -0.042 0.000 0.302 347 N C -1.172 174.346 175.510 0.012 0.000 1.106 347 N CA -0.131 52.914 53.050 -0.007 0.000 0.778 347 N CB 1.547 40.025 38.487 -0.015 0.000 1.431 347 N HN -0.103 nan 8.380 nan 0.000 0.479 348 E N 0.888 121.101 120.200 0.022 0.000 4.017 348 E HA 0.315 4.640 4.350 -0.042 0.000 0.205 348 E C -0.997 175.619 176.600 0.027 0.000 1.054 348 E CA -0.160 56.264 56.400 0.040 0.000 1.398 348 E CB 0.528 30.260 29.700 0.053 0.000 1.164 348 E HN 0.324 nan 8.360 nan 0.000 0.445 349 S N 0.037 115.746 115.700 0.015 0.000 2.740 349 S HA 0.755 5.200 4.470 -0.042 0.000 0.300 349 S C -0.533 174.068 174.600 0.002 0.000 1.147 349 S CA -0.522 57.682 58.200 0.007 0.000 0.871 349 S CB 2.234 65.433 63.200 -0.002 0.000 1.173 349 S HN 0.260 nan 8.310 nan 0.000 0.510 350 M N 0.597 120.193 119.600 -0.006 0.000 2.683 350 M HA 0.498 4.952 4.480 -0.042 0.000 0.274 350 M C -1.699 174.585 176.300 -0.027 0.000 1.272 350 M CA -0.259 55.031 55.300 -0.016 0.000 0.833 350 M CB 2.454 35.049 32.600 -0.008 0.000 1.708 350 M HN 0.600 nan 8.290 nan 0.000 0.463 351 T N 2.196 116.725 114.554 -0.043 0.000 2.829 351 T HA 0.521 4.846 4.350 -0.042 0.000 0.280 351 T C 0.588 175.254 174.700 -0.057 0.000 0.999 351 T CA -0.649 61.423 62.100 -0.045 0.000 0.983 351 T CB 1.181 70.015 68.868 -0.057 0.000 0.968 351 T HN 0.580 nan 8.240 nan 0.000 0.446 352 L N 1.117 122.319 121.223 -0.035 0.000 2.357 352 L HA 0.577 4.892 4.340 -0.042 0.000 0.211 352 L C 1.024 177.878 176.870 -0.027 0.000 1.075 352 L CA 0.048 54.869 54.840 -0.032 0.000 0.830 352 L CB 0.007 42.065 42.059 -0.001 0.000 0.996 352 L HN 0.668 nan 8.230 nan 0.000 0.467 353 A N -0.391 122.438 122.820 0.015 0.000 2.612 353 A HA 0.731 5.026 4.320 -0.042 0.000 0.293 353 A C -0.919 176.705 177.584 0.066 0.000 1.075 353 A CA -0.359 51.717 52.037 0.066 0.000 0.680 353 A CB 1.475 20.585 19.000 0.183 0.000 1.279 353 A HN 0.000 nan 8.150 nan 0.000 0.411 354 T N -0.089 114.513 114.554 0.080 0.000 2.868 354 T HA 0.802 5.127 4.350 -0.042 0.000 0.306 354 T C -0.758 173.994 174.700 0.088 0.000 1.224 354 T CA -0.375 61.755 62.100 0.050 0.000 1.012 354 T CB 1.565 70.433 68.868 -0.001 0.000 1.221 354 T HN 1.497 nan 8.240 nan 0.000 0.499 355 I N 1.382 121.961 120.570 0.014 0.000 2.746 355 I HA 0.401 4.545 4.170 -0.042 0.000 0.290 355 I C -0.988 175.053 176.117 -0.128 0.000 1.600 355 I CA -0.552 60.757 61.300 0.015 0.000 1.019 355 I CB 2.122 40.193 38.000 0.119 0.000 1.426 355 I HN 0.961 nan 8.210 nan 0.000 0.460 356 T N 2.529 117.036 114.554 -0.078 0.000 2.909 356 T HA 0.397 4.722 4.350 -0.042 0.000 0.289 356 T C 0.971 175.651 174.700 -0.033 0.000 1.005 356 T CA -0.324 61.704 62.100 -0.120 0.000 1.084 356 T CB 0.841 69.700 68.868 -0.016 0.000 0.975 356 T HN 0.447 nan 8.240 nan 0.000 0.509 357 F N 0.495 120.502 119.950 0.095 0.000 2.236 357 F HA -0.153 4.349 4.527 -0.042 0.000 0.302 357 F C 2.842 178.843 175.800 0.334 0.000 1.073 357 F CA 0.860 58.971 58.000 0.185 0.000 1.336 357 F CB -0.383 38.755 39.000 0.231 0.000 1.040 357 F HN 0.579 nan 8.300 nan 0.000 0.507 358 Q N 0.221 120.280 119.800 0.432 0.000 2.050 358 Q HA -0.183 4.132 4.340 -0.042 0.000 0.202 358 Q C 1.833 178.010 176.000 0.295 0.000 0.980 358 Q CA 1.564 57.604 55.803 0.394 0.000 0.840 358 Q CB -0.187 28.646 28.738 0.159 0.000 0.898 358 Q HN 0.256 nan 8.270 nan 0.000 0.424 359 N N -1.255 117.553 118.700 0.180 0.000 2.415 359 N HA -0.087 4.628 4.740 -0.042 0.000 0.176 359 N C 1.196 176.748 175.510 0.069 0.000 1.042 359 N CA 0.379 53.493 53.050 0.107 0.000 0.902 359 N CB -0.026 38.503 38.487 0.071 0.000 0.986 359 N HN 0.272 nan 8.380 nan 0.000 0.447 360 Y N 0.923 121.200 120.300 -0.037 0.000 2.089 360 Y HA -0.130 4.394 4.550 -0.043 0.000 0.282 360 Y C 1.688 177.527 175.900 -0.102 0.000 1.139 360 Y CA 1.648 59.612 58.100 -0.227 0.000 1.123 360 Y CB -0.729 37.511 38.460 -0.368 0.000 0.980 360 Y HN -0.097 nan 8.280 nan 0.000 0.493 361 F N 0.004 120.037 119.950 0.138 0.000 2.604 361 F HA -0.001 4.501 4.527 -0.043 0.000 0.298 361 F C 2.149 178.025 175.800 0.127 0.000 1.131 361 F CA 0.644 58.700 58.000 0.093 0.000 1.457 361 F CB -0.121 38.952 39.000 0.121 0.000 1.095 361 F HN -0.053 nan 8.300 nan 0.000 0.574 362 R N -0.252 120.396 120.500 0.247 0.000 2.299 362 R HA 0.056 4.371 4.340 -0.042 0.000 0.197 362 R C 1.581 177.927 176.300 0.076 0.000 0.971 362 R CA 0.436 56.642 56.100 0.177 0.000 1.030 362 R CB -0.105 30.272 30.300 0.127 0.000 0.932 362 R HN 0.371 nan 8.270 nan 0.000 0.477 363 M N -0.520 119.062 119.600 -0.030 0.000 2.561 363 M HA 0.050 4.505 4.480 -0.042 0.000 0.238 363 M C -0.241 175.964 176.300 -0.158 0.000 1.131 363 M CA 0.487 55.701 55.300 -0.144 0.000 1.046 363 M CB 0.161 32.551 32.600 -0.351 0.000 1.532 363 M HN -0.066 nan 8.290 nan 0.000 0.497 364 Y N 0.902 121.126 120.300 -0.127 0.000 2.301 364 Y HA -0.001 4.525 4.550 -0.040 0.000 0.328 364 Y C 1.574 177.456 175.900 -0.030 0.000 1.242 364 Y CA 0.212 58.265 58.100 -0.079 0.000 1.323 364 Y CB 0.520 38.959 38.460 -0.035 0.000 1.266 364 Y HN 0.097 nan 8.280 nan 0.000 0.527 365 E N 1.417 121.690 120.200 0.122 0.000 2.285 365 E HA -0.074 4.251 4.350 -0.042 0.000 0.194 365 E C -0.149 176.475 176.600 0.041 0.000 0.997 365 E CA 0.666 57.111 56.400 0.074 0.000 0.845 365 E CB 0.339 30.104 29.700 0.110 0.000 0.782 365 E HN 0.494 nan 8.360 nan 0.000 0.491 366 K N 0.251 120.691 120.400 0.066 0.000 2.561 366 K HA 0.271 4.566 4.320 -0.042 0.000 0.254 366 K C -2.093 174.616 176.600 0.183 0.000 0.942 366 K CA -0.671 55.624 56.287 0.014 0.000 0.818 366 K CB 1.356 33.687 32.500 -0.282 0.000 1.306 366 K HN -0.025 nan 8.250 nan 0.000 0.435 367 L N 2.724 124.028 121.223 0.135 0.000 2.362 367 L HA 0.877 5.192 4.340 -0.042 0.000 0.271 367 L C -1.510 175.421 176.870 0.101 0.000 1.002 367 L CA -0.161 54.727 54.840 0.081 0.000 0.818 367 L CB 1.999 44.082 42.059 0.039 0.000 1.298 367 L HN 0.821 nan 8.230 nan 0.000 0.420 368 A N 2.132 124.946 122.820 -0.010 0.000 2.587 368 A HA 0.983 5.278 4.320 -0.042 0.000 0.293 368 A C -0.737 176.733 177.584 -0.189 0.000 1.087 368 A CA 0.069 52.080 52.037 -0.043 0.000 0.692 368 A CB 1.638 20.699 19.000 0.101 0.000 1.291 368 A HN 1.065 nan 8.150 nan 0.000 0.407 369 G N -0.629 108.071 108.800 -0.166 0.000 2.663 369 G HA2 0.797 4.732 3.960 -0.042 0.000 0.299 369 G HA3 0.797 4.732 3.960 -0.042 0.000 0.299 369 G C -1.121 173.678 174.900 -0.168 0.000 1.372 369 G CA -0.093 44.887 45.100 -0.200 0.000 0.781 369 G HN 1.786 nan 8.290 nan 0.000 0.491 370 M N -0.846 118.656 119.600 -0.164 0.000 2.323 370 M HA 0.643 5.098 4.480 -0.042 0.000 0.278 370 M C -1.385 174.845 176.300 -0.116 0.000 1.069 370 M CA -0.629 54.591 55.300 -0.133 0.000 0.950 370 M CB 1.716 34.256 32.600 -0.099 0.000 1.879 370 M HN 0.533 nan 8.290 nan 0.000 0.491 371 T N 0.740 115.228 114.554 -0.110 0.000 2.821 371 T HA 0.568 4.892 4.350 -0.042 0.000 0.306 371 T C 0.801 175.462 174.700 -0.065 0.000 1.313 371 T CA -0.300 61.752 62.100 -0.080 0.000 1.012 371 T CB 1.925 70.750 68.868 -0.071 0.000 1.298 371 T HN 0.906 nan 8.240 nan 0.000 0.502 372 G N 1.167 109.941 108.800 -0.044 0.000 2.404 372 G HA2 0.040 3.975 3.960 -0.042 0.000 0.215 372 G HA3 0.040 3.975 3.960 -0.042 0.000 0.215 372 G C 0.721 175.605 174.900 -0.027 0.000 1.174 372 G CA 1.144 46.226 45.100 -0.031 0.000 0.780 372 G HN 0.916 nan 8.290 nan 0.000 0.537 373 T N -2.661 111.880 114.554 -0.022 0.000 2.753 373 T HA 0.724 5.048 4.350 -0.042 0.000 0.297 373 T C 0.185 174.879 174.700 -0.011 0.000 0.981 373 T CA 0.140 62.234 62.100 -0.009 0.000 0.956 373 T CB 1.761 70.630 68.868 0.003 0.000 0.936 373 T HN 0.582 nan 8.240 nan 0.000 0.463 374 A N 3.480 126.288 122.820 -0.019 0.000 2.004 374 A HA 0.335 4.629 4.320 -0.042 0.000 0.175 374 A C 1.512 179.088 177.584 -0.013 0.000 1.902 374 A CA -0.088 51.928 52.037 -0.035 0.000 1.457 374 A CB -0.343 18.544 19.000 -0.187 0.000 1.593 374 A HN 0.665 nan 8.150 nan 0.000 0.363 375 K N 1.078 121.464 120.400 -0.023 0.000 2.585 375 K HA -0.063 4.232 4.320 -0.042 0.000 0.194 375 K C 1.263 177.885 176.600 0.037 0.000 1.037 375 K CA 1.661 57.943 56.287 -0.007 0.000 0.964 375 K CB -0.154 32.338 32.500 -0.014 0.000 0.787 375 K HN 0.598 nan 8.250 nan 0.000 0.488 376 T N 0.122 114.711 114.554 0.059 0.000 2.894 376 T HA -0.013 4.312 4.350 -0.042 0.000 0.258 376 T C 0.944 175.705 174.700 0.102 0.000 1.043 376 T CA 0.511 62.648 62.100 0.061 0.000 1.141 376 T CB -0.017 68.878 68.868 0.045 0.000 0.873 376 T HN 0.174 nan 8.240 nan 0.000 0.449 377 E N 1.615 121.929 120.200 0.190 0.000 2.526 377 E HA 0.024 4.349 4.350 -0.042 0.000 0.198 377 E C 1.662 178.509 176.600 0.412 0.000 1.091 377 E CA 0.037 56.592 56.400 0.257 0.000 0.880 377 E CB -0.420 29.461 29.700 0.302 0.000 0.873 377 E HN 0.685 nan 8.360 nan 0.000 0.527 378 E N 1.532 121.912 120.200 0.300 0.000 2.113 378 E HA -0.317 4.008 4.350 -0.042 0.000 0.210 378 E C 1.871 178.618 176.600 0.246 0.000 1.040 378 E CA 1.718 58.264 56.400 0.243 0.000 0.847 378 E CB 0.090 29.849 29.700 0.099 0.000 0.755 378 E HN 0.212 nan 8.360 nan 0.000 0.459 379 E N 0.704 120.991 120.200 0.144 0.000 2.038 379 E HA -0.271 4.054 4.350 -0.042 0.000 0.195 379 E C 1.998 178.674 176.600 0.126 0.000 1.000 379 E CA 1.695 58.156 56.400 0.102 0.000 0.803 379 E CB -0.260 29.457 29.700 0.027 0.000 0.750 379 E HN 0.413 nan 8.360 nan 0.000 0.448 380 E N -1.005 119.258 120.200 0.104 0.000 2.209 380 E HA -0.180 4.145 4.350 -0.042 0.000 0.196 380 E C 1.991 178.630 176.600 0.066 0.000 0.993 380 E CA 1.005 57.445 56.400 0.068 0.000 0.819 380 E CB -0.185 29.544 29.700 0.048 0.000 0.745 380 E HN 0.254 nan 8.360 nan 0.000 0.477 381 F N 0.298 120.375 119.950 0.211 0.000 2.084 381 F HA -0.087 4.410 4.527 -0.050 0.000 0.296 381 F C 2.685 178.610 175.800 0.208 0.000 1.111 381 F CA 0.899 59.065 58.000 0.276 0.000 1.224 381 F CB -0.215 38.869 39.000 0.140 0.000 0.991 381 F HN -0.107 nan 8.300 nan 0.000 0.471 382 R N 0.534 121.221 120.500 0.313 0.000 2.119 382 R HA -0.200 4.114 4.340 -0.042 0.000 0.246 382 R C 1.767 178.144 176.300 0.128 0.000 1.146 382 R CA 1.632 57.841 56.100 0.182 0.000 0.962 382 R CB -0.785 29.590 30.300 0.125 0.000 0.863 382 R HN 0.385 nan 8.270 nan 0.000 0.442 383 N N -0.360 118.398 118.700 0.097 0.000 2.368 383 N HA -0.010 4.705 4.740 -0.042 0.000 0.178 383 N C 1.750 177.238 175.510 -0.037 0.000 1.021 383 N CA 0.542 53.613 53.050 0.036 0.000 0.875 383 N CB 0.198 38.708 38.487 0.039 0.000 1.020 383 N HN 0.062 nan 8.380 nan 0.000 0.433 384 I N 0.092 120.580 120.570 -0.138 0.000 2.277 384 I HA -0.142 4.003 4.170 -0.042 0.000 0.243 384 I C 1.181 177.048 176.117 -0.416 0.000 1.094 384 I CA 1.382 62.423 61.300 -0.432 0.000 1.393 384 I CB -1.122 36.339 38.000 -0.899 0.000 1.078 384 I HN 0.101 nan 8.210 nan 0.000 0.417 385 Y N -0.467 119.872 120.300 0.065 0.000 2.445 385 Y HA 0.291 4.816 4.550 -0.043 0.000 0.247 385 Y C 0.888 176.845 175.900 0.095 0.000 1.129 385 Y CA -0.330 57.823 58.100 0.089 0.000 1.251 385 Y CB 0.024 38.553 38.460 0.114 0.000 1.176 385 Y HN 0.169 nan 8.280 nan 0.000 0.522 386 N N 1.375 120.200 118.700 0.209 0.000 2.758 386 N HA -0.184 4.531 4.740 -0.042 0.000 0.248 386 N C -0.944 174.661 175.510 0.158 0.000 1.076 386 N CA 0.735 53.875 53.050 0.149 0.000 0.696 386 N CB -1.042 37.507 38.487 0.103 0.000 0.979 386 N HN 0.380 nan 8.380 nan 0.000 0.550 387 M N 0.508 120.233 119.600 0.209 0.000 2.591 387 M HA 0.338 4.793 4.480 -0.042 0.000 0.306 387 M C -0.148 176.230 176.300 0.130 0.000 1.190 387 M CA -0.541 54.851 55.300 0.152 0.000 0.889 387 M CB 2.501 35.198 32.600 0.162 0.000 1.728 387 M HN 0.034 nan 8.290 nan 0.000 0.458 388 Q N 0.716 120.550 119.800 0.057 0.000 2.377 388 Q HA 0.587 4.902 4.340 -0.042 0.000 0.271 388 Q C -1.410 174.568 176.000 -0.036 0.000 1.077 388 Q CA -0.707 55.115 55.803 0.031 0.000 0.820 388 Q CB 2.768 31.529 28.738 0.038 0.000 1.347 388 Q HN 0.585 nan 8.270 nan 0.000 0.444 389 V N 3.368 123.244 119.914 -0.063 0.000 2.356 389 V HA 0.173 4.268 4.120 -0.042 0.000 0.258 389 V C -0.455 175.617 176.094 -0.037 0.000 1.065 389 V CA -0.481 61.752 62.300 -0.110 0.000 0.935 389 V CB 0.612 32.350 31.823 -0.142 0.000 1.061 389 V HN 0.508 nan 8.190 nan 0.000 0.484 390 V N 4.649 124.559 119.914 -0.007 0.000 2.353 390 V HA 0.145 4.239 4.120 -0.042 0.000 0.264 390 V C 0.865 176.981 176.094 0.036 0.000 1.049 390 V CA -0.321 62.012 62.300 0.054 0.000 0.896 390 V CB 0.871 32.797 31.823 0.173 0.000 1.025 390 V HN 0.913 nan 8.190 nan 0.000 0.475 391 T N 6.562 121.130 114.554 0.023 0.000 3.162 391 T HA 0.260 4.585 4.350 -0.042 0.000 0.264 391 T C 0.405 175.127 174.700 0.037 0.000 0.959 391 T CA -0.224 61.885 62.100 0.015 0.000 1.118 391 T CB -0.712 68.159 68.868 0.005 0.000 0.979 391 T HN 0.355 nan 8.240 nan 0.000 0.679 392 I N 4.348 124.943 120.570 0.042 0.000 2.683 392 I HA 0.163 4.308 4.170 -0.042 0.000 0.286 392 I C -1.875 174.258 176.117 0.027 0.000 1.175 392 I CA -2.600 58.731 61.300 0.051 0.000 1.429 392 I CB -0.618 37.403 38.000 0.035 0.000 1.371 392 I HN 0.254 nan 8.210 nan 0.000 0.569 393 P HA 0.185 nan 4.420 nan 0.000 0.276 393 P C -0.425 176.873 177.300 -0.004 0.000 1.252 393 P CA -0.422 62.685 63.100 0.011 0.000 0.802 393 P CB 0.254 31.963 31.700 0.015 0.000 1.035 394 T N -1.817 112.727 114.554 -0.017 0.000 2.888 394 T HA 0.022 4.347 4.350 -0.042 0.000 0.301 394 T C 1.295 175.959 174.700 -0.060 0.000 1.001 394 T CA -0.480 61.598 62.100 -0.036 0.000 1.147 394 T CB -0.121 68.726 68.868 -0.034 0.000 0.931 394 T HN 0.480 nan 8.240 nan 0.000 0.541 395 N N 3.131 121.773 118.700 -0.097 0.000 2.069 395 N HA -0.209 4.506 4.740 -0.042 0.000 0.196 395 N C 0.328 175.730 175.510 -0.179 0.000 1.024 395 N CA 1.103 54.043 53.050 -0.184 0.000 0.869 395 N CB 0.151 38.450 38.487 -0.312 0.000 1.035 395 N HN 0.609 nan 8.380 nan 0.000 0.434 396 R N -0.026 120.390 120.500 -0.141 0.000 2.744 396 R HA 0.403 4.718 4.340 -0.042 0.000 0.279 396 R C -2.621 173.641 176.300 -0.064 0.000 0.977 396 R CA -1.764 54.273 56.100 -0.105 0.000 0.906 396 R CB 1.925 32.156 30.300 -0.115 0.000 1.197 396 R HN 0.060 nan 8.270 nan 0.000 0.463 397 P HA -0.064 nan 4.420 nan 0.000 0.255 397 P C -0.496 176.788 177.300 -0.027 0.000 1.173 397 P CA 0.136 63.218 63.100 -0.030 0.000 0.780 397 P CB 0.298 31.984 31.700 -0.022 0.000 0.758 398 V N 5.316 125.217 119.914 -0.023 0.000 2.508 398 V HA -0.001 4.094 4.120 -0.042 0.000 0.281 398 V C 1.488 177.576 176.094 -0.011 0.000 1.041 398 V CA 0.464 62.753 62.300 -0.018 0.000 1.016 398 V CB 1.068 32.883 31.823 -0.014 0.000 0.984 398 V HN 0.454 nan 8.190 nan 0.000 0.478 399 V N 2.738 122.647 119.914 -0.010 0.000 3.477 399 V HA 0.332 4.426 4.120 -0.042 0.000 0.297 399 V C 0.978 177.071 176.094 -0.002 0.000 1.433 399 V CA -0.249 62.047 62.300 -0.006 0.000 1.052 399 V CB -0.382 31.436 31.823 -0.007 0.000 0.895 399 V HN 0.759 nan 8.190 nan 0.000 0.438 400 R N 2.117 122.616 120.500 -0.002 0.000 2.538 400 R HA 0.004 4.319 4.340 -0.042 0.000 0.282 400 R C -0.600 175.702 176.300 0.004 0.000 1.009 400 R CA 0.278 56.379 56.100 0.001 0.000 1.063 400 R CB 0.292 30.593 30.300 0.002 0.000 0.945 400 R HN 0.431 nan 8.270 nan 0.000 0.414 401 D N 3.126 123.528 120.400 0.003 0.000 2.393 401 D HA 0.063 4.678 4.640 -0.042 0.000 0.232 401 D C -1.030 175.274 176.300 0.006 0.000 1.192 401 D CA -0.200 53.803 54.000 0.005 0.000 0.882 401 D CB 0.540 41.342 40.800 0.003 0.000 1.038 401 D HN 0.326 nan 8.370 nan 0.000 0.499 402 D N 3.437 123.845 120.400 0.014 0.000 2.352 402 D HA 0.103 4.718 4.640 -0.042 0.000 0.245 402 D C 0.341 176.655 176.300 0.023 0.000 1.224 402 D CA 0.050 54.065 54.000 0.026 0.000 0.879 402 D CB 0.596 41.422 40.800 0.043 0.000 1.057 402 D HN 0.308 nan 8.370 nan 0.000 0.491 403 R N 2.807 123.315 120.500 0.014 0.000 2.404 403 R HA 0.347 4.661 4.340 -0.042 0.000 0.291 403 R C -2.244 174.067 176.300 0.018 0.000 1.025 403 R CA -1.625 54.477 56.100 0.003 0.000 0.991 403 R CB 0.952 31.240 30.300 -0.019 0.000 1.053 403 R HN 0.127 nan 8.270 nan 0.000 0.479 404 P HA 0.005 nan 4.420 nan 0.000 0.271 404 P C -1.292 175.998 177.300 -0.017 0.000 1.233 404 P CA -0.212 62.891 63.100 0.005 0.000 0.789 404 P CB 0.445 32.137 31.700 -0.014 0.000 0.951 405 D N 0.144 120.536 120.400 -0.013 0.000 2.382 405 D HA 0.232 4.847 4.640 -0.042 0.000 0.245 405 D C -0.337 175.911 176.300 -0.087 0.000 1.120 405 D CA -0.033 53.949 54.000 -0.030 0.000 0.890 405 D CB -0.010 40.778 40.800 -0.020 0.000 1.201 405 D HN 0.153 nan 8.370 nan 0.000 0.433 406 L N 1.822 122.960 121.223 -0.141 0.000 2.265 406 L HA 0.402 4.716 4.340 -0.042 0.000 0.289 406 L C -0.665 176.195 176.870 -0.018 0.000 1.033 406 L CA -0.913 53.849 54.840 -0.131 0.000 0.814 406 L CB 0.566 42.533 42.059 -0.153 0.000 1.203 406 L HN 0.294 nan 8.230 nan 0.000 0.423 407 I N 3.560 124.076 120.570 -0.090 0.000 2.359 407 I HA 0.309 4.454 4.170 -0.042 0.000 0.284 407 I C -0.107 175.962 176.117 -0.081 0.000 1.018 407 I CA -0.134 61.156 61.300 -0.016 0.000 1.173 407 I CB 0.508 38.489 38.000 -0.030 0.000 1.326 407 I HN 0.304 nan 8.210 nan 0.000 0.462 408 Y N 4.034 124.346 120.300 0.021 0.000 2.378 408 Y HA 0.420 4.944 4.550 -0.044 0.000 0.351 408 Y C 1.673 177.558 175.900 -0.024 0.000 1.351 408 Y CA -0.209 57.893 58.100 0.003 0.000 1.616 408 Y CB 0.637 39.095 38.460 -0.003 0.000 1.622 408 Y HN 0.416 nan 8.280 nan 0.000 0.568 409 R N -0.841 119.761 120.500 0.171 0.000 2.140 409 R HA 0.081 4.396 4.340 -0.042 0.000 0.200 409 R C 0.216 176.533 176.300 0.028 0.000 1.069 409 R CA 0.875 57.013 56.100 0.064 0.000 1.088 409 R CB 0.107 30.436 30.300 0.048 0.000 1.012 409 R HN 0.811 nan 8.270 nan 0.000 0.500 410 T N -2.698 111.869 114.554 0.022 0.000 2.936 410 T HA 0.223 4.548 4.350 -0.042 0.000 0.282 410 T C 0.984 175.604 174.700 -0.133 0.000 1.003 410 T CA -0.676 61.398 62.100 -0.042 0.000 1.005 410 T CB 1.699 70.547 68.868 -0.034 0.000 1.097 410 T HN 0.044 nan 8.240 nan 0.000 0.532 411 M N 0.235 119.694 119.600 -0.234 0.000 2.334 411 M HA 0.049 4.504 4.480 -0.042 0.000 0.266 411 M C 2.036 177.874 176.300 -0.770 0.000 1.082 411 M CA 1.190 56.157 55.300 -0.555 0.000 1.141 411 M CB -0.178 32.061 32.600 -0.601 0.000 1.380 411 M HN 0.828 nan 8.290 nan 0.000 0.440 412 E N -0.454 119.568 120.200 -0.296 0.000 2.265 412 E HA -0.109 4.216 4.350 -0.042 0.000 0.196 412 E C 1.874 178.372 176.600 -0.170 0.000 0.996 412 E CA 0.989 57.352 56.400 -0.061 0.000 0.832 412 E CB -0.364 29.357 29.700 0.036 0.000 0.756 412 E HN 0.641 nan 8.360 nan 0.000 0.491 413 G N 2.808 111.459 108.800 -0.248 0.000 2.421 413 G HA2 -0.332 3.602 3.960 -0.042 0.000 0.216 413 G HA3 -0.332 3.602 3.960 -0.042 0.000 0.216 413 G C 1.624 175.959 174.900 -0.941 0.000 1.171 413 G CA 1.195 46.074 45.100 -0.369 0.000 0.775 413 G HN 0.339 nan 8.290 nan 0.000 0.543 414 K N -0.526 119.373 120.400 -0.835 0.000 2.228 414 K HA 0.207 4.502 4.320 -0.042 0.000 0.202 414 K C 2.113 178.428 176.600 -0.477 0.000 1.051 414 K CA 0.537 56.351 56.287 -0.788 0.000 0.960 414 K CB -0.495 31.825 32.500 -0.301 0.000 0.743 414 K HN 0.365 nan 8.250 nan 0.000 0.458 415 F N 2.167 121.918 119.950 -0.332 0.000 2.134 415 F HA -0.153 4.345 4.527 -0.049 0.000 0.299 415 F C 2.729 178.354 175.800 -0.291 0.000 1.097 415 F CA 0.723 58.566 58.000 -0.261 0.000 1.264 415 F CB -0.126 38.771 39.000 -0.172 0.000 1.001 415 F HN 0.047 nan 8.300 nan 0.000 0.479 416 K N 1.269 121.597 120.400 -0.119 0.000 1.980 416 K HA -0.268 4.026 4.320 -0.042 0.000 0.223 416 K C 2.071 178.543 176.600 -0.212 0.000 1.052 416 K CA 1.832 58.024 56.287 -0.157 0.000 0.974 416 K CB -0.603 31.790 32.500 -0.179 0.000 0.734 416 K HN 0.215 nan 8.250 nan 0.000 0.447 417 A N 0.659 123.276 122.820 -0.339 0.000 2.248 417 A HA -0.014 4.280 4.320 -0.042 0.000 0.210 417 A C 2.062 179.361 177.584 -0.475 0.000 1.174 417 A CA 1.046 52.912 52.037 -0.285 0.000 0.750 417 A CB -0.270 18.673 19.000 -0.095 0.000 0.780 417 A HN 0.234 nan 8.150 nan 0.000 0.478 418 V N -0.382 119.220 119.914 -0.520 0.000 2.273 418 V HA -0.163 3.931 4.120 -0.042 0.000 0.242 418 V C 3.021 178.991 176.094 -0.207 0.000 1.035 418 V CA 1.714 63.770 62.300 -0.407 0.000 1.013 418 V CB -1.391 30.259 31.823 -0.288 0.000 0.652 418 V HN 0.542 nan 8.190 nan 0.000 0.452 419 A N 0.236 122.954 122.820 -0.169 0.000 1.917 419 A HA -0.311 3.984 4.320 -0.042 0.000 0.219 419 A C 2.150 179.688 177.584 -0.077 0.000 1.182 419 A CA 2.435 54.399 52.037 -0.121 0.000 0.633 419 A CB -0.601 18.333 19.000 -0.110 0.000 0.819 419 A HN 0.611 nan 8.150 nan 0.000 0.448 420 E N 0.545 120.701 120.200 -0.074 0.000 2.005 420 E HA -0.242 4.083 4.350 -0.042 0.000 0.198 420 E C 1.787 178.387 176.600 -0.000 0.000 1.010 420 E CA 1.824 58.210 56.400 -0.023 0.000 0.825 420 E CB -0.599 29.097 29.700 -0.006 0.000 0.769 420 E HN 0.481 nan 8.360 nan 0.000 0.456 421 D N -0.668 119.731 120.400 -0.001 0.000 2.190 421 D HA -0.139 4.476 4.640 -0.042 0.000 0.200 421 D C 1.882 178.205 176.300 0.039 0.000 0.992 421 D CA 1.653 55.686 54.000 0.054 0.000 0.854 421 D CB 0.146 41.022 40.800 0.126 0.000 0.936 421 D HN 0.200 nan 8.370 nan 0.000 0.462 422 V N 0.999 120.912 119.914 -0.002 0.000 2.302 422 V HA -0.091 4.003 4.120 -0.042 0.000 0.243 422 V C 2.802 178.930 176.094 0.057 0.000 1.036 422 V CA 1.459 63.762 62.300 0.005 0.000 1.020 422 V CB -1.260 30.527 31.823 -0.060 0.000 0.657 422 V HN 0.181 nan 8.190 nan 0.000 0.453 423 A N -0.100 122.747 122.820 0.046 0.000 1.869 423 A HA -0.332 3.963 4.320 -0.042 0.000 0.218 423 A C 2.216 179.881 177.584 0.136 0.000 1.203 423 A CA 2.420 54.523 52.037 0.110 0.000 0.638 423 A CB -0.780 18.259 19.000 0.065 0.000 0.831 423 A HN 0.581 nan 8.150 nan 0.000 0.450 424 Q N -0.886 118.963 119.800 0.082 0.000 1.954 424 Q HA -0.261 4.053 4.340 -0.042 0.000 0.215 424 Q C 2.013 178.058 176.000 0.075 0.000 1.026 424 Q CA 1.968 57.811 55.803 0.066 0.000 0.881 424 Q CB -0.537 28.236 28.738 0.057 0.000 0.977 424 Q HN 0.542 nan 8.270 nan 0.000 0.416 425 R N -0.390 120.162 120.500 0.088 0.000 2.371 425 R HA -0.147 4.168 4.340 -0.042 0.000 0.226 425 R C 1.699 178.081 176.300 0.136 0.000 1.132 425 R CA 0.970 57.125 56.100 0.090 0.000 1.027 425 R CB -0.526 29.825 30.300 0.085 0.000 0.848 425 R HN 0.500 nan 8.270 nan 0.000 0.479 426 Y N -1.316 118.988 120.300 0.006 0.000 2.512 426 Y HA 0.121 4.647 4.550 -0.040 0.000 0.268 426 Y C 1.952 177.855 175.900 0.005 0.000 1.102 426 Y CA -0.092 58.011 58.100 0.006 0.000 1.261 426 Y CB 0.043 38.506 38.460 0.005 0.000 1.250 426 Y HN -0.144 nan 8.280 nan 0.000 0.506 427 M N 0.940 120.490 119.600 -0.083 0.000 2.213 427 M HA -0.120 4.335 4.480 -0.042 0.000 0.263 427 M C 1.986 178.192 176.300 -0.157 0.000 1.062 427 M CA 2.559 57.773 55.300 -0.145 0.000 1.105 427 M CB -0.614 31.972 32.600 -0.024 0.000 1.385 427 M HN 0.408 nan 8.290 nan 0.000 0.417 428 T N -3.094 111.404 114.554 -0.093 0.000 2.706 428 T HA 0.318 4.643 4.350 -0.042 0.000 0.255 428 T C 1.661 176.296 174.700 -0.108 0.000 1.048 428 T CA 0.977 63.032 62.100 -0.075 0.000 1.153 428 T CB -0.786 68.068 68.868 -0.024 0.000 0.865 428 T HN 0.682 nan 8.240 nan 0.000 0.414 429 G N 0.581 109.332 108.800 -0.082 0.000 2.174 429 G HA2 -0.115 3.820 3.960 -0.042 0.000 0.140 429 G HA3 -0.115 3.820 3.960 -0.042 0.000 0.140 429 G C -0.259 174.655 174.900 0.022 0.000 1.031 429 G CA -0.122 44.944 45.100 -0.056 0.000 0.728 429 G HN 0.773 nan 8.290 nan 0.000 0.496 430 Q N 1.483 121.308 119.800 0.041 0.000 2.289 430 Q HA 0.330 4.645 4.340 -0.042 0.000 0.273 430 Q C -1.971 174.076 176.000 0.078 0.000 1.029 430 Q CA -1.471 54.363 55.803 0.051 0.000 0.896 430 Q CB 0.985 29.750 28.738 0.045 0.000 1.182 430 Q HN 0.215 nan 8.270 nan 0.000 0.385 431 P HA -0.046 nan 4.420 nan 0.000 0.264 431 P C -1.045 176.285 177.300 0.050 0.000 1.193 431 P CA 0.257 63.393 63.100 0.061 0.000 0.763 431 P CB 0.667 32.392 31.700 0.042 0.000 0.810 432 V N 4.453 124.396 119.914 0.047 0.000 2.769 432 V HA 0.461 4.556 4.120 -0.042 0.000 0.312 432 V C -0.035 176.068 176.094 0.015 0.000 1.061 432 V CA -0.832 61.485 62.300 0.029 0.000 0.931 432 V CB 2.000 33.839 31.823 0.026 0.000 1.010 432 V HN 0.362 nan 8.190 nan 0.000 0.433 433 L N 4.872 126.100 121.223 0.008 0.000 2.376 433 L HA 0.725 5.040 4.340 -0.042 0.000 0.275 433 L C -0.639 176.228 176.870 -0.005 0.000 0.987 433 L CA -0.158 54.684 54.840 0.004 0.000 0.828 433 L CB 1.852 43.917 42.059 0.009 0.000 1.249 433 L HN 0.472 nan 8.230 nan 0.000 0.409 434 V N 3.844 123.753 119.914 -0.008 0.000 2.439 434 V HA 0.815 4.910 4.120 -0.042 0.000 0.282 434 V C 0.750 176.848 176.094 0.007 0.000 1.039 434 V CA -0.308 61.984 62.300 -0.013 0.000 0.913 434 V CB 1.157 32.959 31.823 -0.035 0.000 0.983 434 V HN 0.906 nan 8.190 nan 0.000 0.460 435 G N 1.654 110.462 108.800 0.014 0.000 2.379 435 G HA2 0.604 4.539 3.960 -0.042 0.000 0.327 435 G HA3 0.604 4.539 3.960 -0.042 0.000 0.327 435 G C -0.529 174.413 174.900 0.069 0.000 1.145 435 G CA -0.324 44.811 45.100 0.058 0.000 0.905 435 G HN 0.768 nan 8.290 nan 0.000 0.466 436 T N 0.248 114.855 114.554 0.088 0.000 2.887 436 T HA 0.434 4.759 4.350 -0.042 0.000 0.292 436 T C 0.823 175.588 174.700 0.108 0.000 1.087 436 T CA -0.434 61.715 62.100 0.081 0.000 1.009 436 T CB 1.904 70.807 68.868 0.059 0.000 1.203 436 T HN 0.134 nan 8.240 nan 0.000 0.518 437 V N 1.334 121.299 119.914 0.085 0.000 2.403 437 V HA 0.484 4.579 4.120 -0.042 0.000 0.239 437 V C 1.320 177.470 176.094 0.093 0.000 1.041 437 V CA 1.249 63.615 62.300 0.110 0.000 1.051 437 V CB -0.292 31.575 31.823 0.074 0.000 0.704 437 V HN 0.984 nan 8.190 nan 0.000 0.472 438 A N -0.092 122.770 122.820 0.070 0.000 2.337 438 A HA 0.538 4.833 4.320 -0.042 0.000 0.331 438 A C 0.770 178.378 177.584 0.040 0.000 1.137 438 A CA 0.270 52.340 52.037 0.055 0.000 0.807 438 A CB 1.665 20.694 19.000 0.049 0.000 1.250 438 A HN 0.543 nan 8.150 nan 0.000 0.468 439 V N -0.430 119.501 119.914 0.029 0.000 3.241 439 V HA -0.100 3.995 4.120 -0.042 0.000 0.269 439 V C 1.337 177.429 176.094 -0.003 0.000 1.151 439 V CA 2.388 64.696 62.300 0.013 0.000 1.158 439 V CB -1.244 30.586 31.823 0.011 0.000 0.764 439 V HN 0.848 nan 8.190 nan 0.000 0.508 440 E N 1.479 121.680 120.200 0.002 0.000 2.016 440 E HA -0.073 4.252 4.350 -0.042 0.000 0.190 440 E C 2.363 178.933 176.600 -0.050 0.000 0.985 440 E CA 2.087 58.479 56.400 -0.014 0.000 0.802 440 E CB -1.039 28.666 29.700 0.010 0.000 0.762 440 E HN 0.648 nan 8.360 nan 0.000 0.448 441 T N 0.403 114.943 114.554 -0.024 0.000 2.635 441 T HA -0.241 4.084 4.350 -0.042 0.000 0.267 441 T C 2.081 176.709 174.700 -0.120 0.000 1.040 441 T CA 1.573 63.628 62.100 -0.075 0.000 1.156 441 T CB -0.617 68.290 68.868 0.066 0.000 0.863 441 T HN 0.058 nan 8.240 nan 0.000 0.430 442 S N 0.305 115.975 115.700 -0.049 0.000 2.390 442 S HA -0.229 4.216 4.470 -0.042 0.000 0.234 442 S C 2.152 176.711 174.600 -0.069 0.000 1.063 442 S CA 1.455 59.629 58.200 -0.044 0.000 1.108 442 S CB -0.386 62.809 63.200 -0.008 0.000 0.975 442 S HN 0.405 nan 8.310 nan 0.000 0.442 443 E N 0.166 120.325 120.200 -0.069 0.000 2.107 443 E HA -0.029 4.296 4.350 -0.042 0.000 0.191 443 E C 2.090 178.614 176.600 -0.126 0.000 0.982 443 E CA 0.407 56.765 56.400 -0.069 0.000 0.809 443 E CB -0.298 29.371 29.700 -0.052 0.000 0.756 443 E HN 0.329 nan 8.360 nan 0.000 0.459 444 L N 1.094 122.196 121.223 -0.202 0.000 1.988 444 L HA -0.163 4.152 4.340 -0.042 0.000 0.207 444 L C 2.369 179.016 176.870 -0.371 0.000 1.071 444 L CA 1.210 55.856 54.840 -0.324 0.000 0.744 444 L CB -1.116 40.638 42.059 -0.509 0.000 0.893 444 L HN 0.119 nan 8.230 nan 0.000 0.433 445 I N -0.085 120.240 120.570 -0.408 0.000 2.091 445 I HA -0.319 3.826 4.170 -0.042 0.000 0.239 445 I C 2.660 178.598 176.117 -0.299 0.000 1.061 445 I CA 1.831 62.933 61.300 -0.330 0.000 1.317 445 I CB -1.477 36.373 38.000 -0.249 0.000 1.031 445 I HN 0.336 nan 8.210 nan 0.000 0.401 446 S N 0.450 116.003 115.700 -0.245 0.000 2.547 446 S HA -0.175 4.269 4.470 -0.042 0.000 0.255 446 S C 1.350 175.891 174.600 -0.099 0.000 0.977 446 S CA 1.115 59.187 58.200 -0.214 0.000 0.960 446 S CB -0.498 62.745 63.200 0.072 0.000 0.746 446 S HN 0.464 nan 8.310 nan 0.000 0.532 447 K N 0.491 120.805 120.400 -0.144 0.000 2.514 447 K HA 0.207 4.501 4.320 -0.042 0.000 0.207 447 K C 1.104 177.636 176.600 -0.114 0.000 1.035 447 K CA 0.011 56.250 56.287 -0.080 0.000 1.113 447 K CB 0.326 32.779 32.500 -0.078 0.000 0.846 447 K HN 0.373 nan 8.250 nan 0.000 0.491 448 L N -1.293 119.818 121.223 -0.188 0.000 2.187 448 L HA -0.125 4.190 4.340 -0.042 0.000 0.213 448 L C 1.785 178.594 176.870 -0.101 0.000 1.100 448 L CA 1.354 56.094 54.840 -0.167 0.000 0.765 448 L CB -1.042 40.880 42.059 -0.229 0.000 0.904 448 L HN 0.066 nan 8.230 nan 0.000 0.437 449 L N 0.031 121.217 121.223 -0.061 0.000 2.013 449 L HA -0.235 4.079 4.340 -0.042 0.000 0.212 449 L C 2.641 179.505 176.870 -0.010 0.000 1.073 449 L CA 1.821 56.664 54.840 0.005 0.000 0.753 449 L CB -0.648 41.463 42.059 0.086 0.000 0.890 449 L HN 0.317 nan 8.230 nan 0.000 0.432 450 K N -1.012 119.376 120.400 -0.020 0.000 2.189 450 K HA -0.239 4.055 4.320 -0.042 0.000 0.207 450 K C 1.077 177.664 176.600 -0.021 0.000 1.046 450 K CA 1.741 58.015 56.287 -0.022 0.000 0.928 450 K CB -0.282 32.198 32.500 -0.033 0.000 0.720 450 K HN 0.383 nan 8.250 nan 0.000 0.458 451 N N -0.806 117.878 118.700 -0.027 0.000 2.142 451 N HA 0.079 4.794 4.740 -0.042 0.000 0.233 451 N C -0.026 175.474 175.510 -0.017 0.000 1.335 451 N CA -0.026 53.012 53.050 -0.020 0.000 0.837 451 N CB 0.749 39.223 38.487 -0.023 0.000 1.238 451 N HN -0.053 nan 8.380 nan 0.000 0.501 452 K N -1.179 119.209 120.400 -0.019 0.000 2.588 452 K HA 0.256 4.551 4.320 -0.042 0.000 0.216 452 K C 0.352 176.955 176.600 0.006 0.000 1.382 452 K CA 0.349 56.631 56.287 -0.008 0.000 1.008 452 K CB 1.202 33.687 32.500 -0.025 0.000 1.138 452 K HN 0.068 nan 8.250 nan 0.000 0.619 453 G N 3.118 111.920 108.800 0.002 0.000 2.422 453 G HA2 -0.235 3.700 3.960 -0.042 0.000 0.301 453 G HA3 -0.235 3.700 3.960 -0.042 0.000 0.301 453 G C 0.072 174.982 174.900 0.016 0.000 0.981 453 G CA 0.225 45.335 45.100 0.017 0.000 0.994 453 G HN 0.206 nan 8.290 nan 0.000 0.514 454 I N 1.527 122.071 120.570 -0.044 0.000 2.281 454 I HA 0.197 4.342 4.170 -0.042 0.000 0.293 454 I C -1.706 174.331 176.117 -0.132 0.000 1.085 454 I CA -2.641 58.533 61.300 -0.209 0.000 1.257 454 I CB 0.360 38.145 38.000 -0.358 0.000 1.430 454 I HN -0.023 nan 8.210 nan 0.000 0.489 455 P HA 0.051 nan 4.420 nan 0.000 0.263 455 P C -0.493 176.768 177.300 -0.065 0.000 1.195 455 P CA 0.771 63.835 63.100 -0.060 0.000 0.762 455 P CB 0.385 32.069 31.700 -0.026 0.000 0.799 456 H N 1.347 120.339 119.070 -0.129 0.000 2.943 456 H HA 0.484 5.014 4.556 -0.044 0.000 0.323 456 H C -1.148 174.134 175.328 -0.076 0.000 1.296 456 H CA -0.917 55.059 56.048 -0.119 0.000 1.155 456 H CB 1.215 30.895 29.762 -0.137 0.000 1.882 456 H HN 0.259 nan 8.280 nan 0.000 0.553 457 Q N 1.149 120.940 119.800 -0.014 0.000 2.340 457 Q HA 0.328 4.642 4.340 -0.042 0.000 0.268 457 Q C -0.764 175.263 176.000 0.044 0.000 1.031 457 Q CA -0.973 54.794 55.803 -0.060 0.000 0.804 457 Q CB 3.347 32.068 28.738 -0.029 0.000 1.286 457 Q HN 0.406 nan 8.270 nan 0.000 0.448 458 V N 4.429 124.337 119.914 -0.010 0.000 2.356 458 V HA 0.149 4.244 4.120 -0.042 0.000 0.258 458 V C 0.250 176.347 176.094 0.004 0.000 1.065 458 V CA 0.002 62.318 62.300 0.027 0.000 0.935 458 V CB 0.383 32.207 31.823 0.002 0.000 1.061 458 V HN 0.561 nan 8.190 nan 0.000 0.484 459 L N 6.980 128.213 121.223 0.017 0.000 2.417 459 L HA 0.346 4.661 4.340 -0.042 0.000 0.258 459 L C 1.638 178.516 176.870 0.013 0.000 1.088 459 L CA -0.279 54.567 54.840 0.009 0.000 0.975 459 L CB 0.355 42.425 42.059 0.018 0.000 1.341 459 L HN 0.757 nan 8.230 nan 0.000 0.431 460 N N 3.050 121.750 118.700 -0.000 0.000 2.459 460 N HA -0.102 4.613 4.740 -0.042 0.000 0.181 460 N C 0.561 176.075 175.510 0.006 0.000 1.046 460 N CA 0.678 53.729 53.050 0.002 0.000 0.904 460 N CB 0.187 38.666 38.487 -0.012 0.000 0.964 460 N HN 0.480 nan 8.380 nan 0.000 0.444 461 A N 0.398 123.218 122.820 0.000 0.000 2.238 461 A HA -0.153 4.142 4.320 -0.042 0.000 0.273 461 A C 0.602 178.156 177.584 -0.050 0.000 1.399 461 A CA 0.954 52.997 52.037 0.011 0.000 0.723 461 A CB -1.879 17.160 19.000 0.064 0.000 1.170 461 A HN 0.546 nan 8.150 nan 0.000 0.336 462 K N -0.529 119.779 120.400 -0.153 0.000 2.826 462 K HA 0.102 4.397 4.320 -0.042 0.000 0.187 462 K C 0.420 176.797 176.600 -0.372 0.000 1.662 462 K CA 0.538 56.692 56.287 -0.222 0.000 1.307 462 K CB 0.485 32.919 32.500 -0.111 0.000 1.792 462 K HN 0.716 nan 8.250 nan 0.000 0.618 463 N N 1.673 120.201 118.700 -0.288 0.000 2.817 463 N HA 0.089 4.804 4.740 -0.042 0.000 0.234 463 N C 0.730 176.081 175.510 -0.265 0.000 1.066 463 N CA -0.234 52.651 53.050 -0.274 0.000 0.926 463 N CB 0.455 38.848 38.487 -0.156 0.000 1.176 463 N HN 0.187 nan 8.380 nan 0.000 0.506 464 H N 1.288 120.308 119.070 -0.083 0.000 2.267 464 H HA -0.211 4.315 4.556 -0.050 0.000 0.297 464 H C 1.436 176.558 175.328 -0.344 0.000 1.080 464 H CA 1.361 57.343 56.048 -0.110 0.000 1.278 464 H CB -0.222 29.556 29.762 0.027 0.000 1.365 464 H HN 0.681 nan 8.280 nan 0.000 0.489 465 E N 1.240 121.151 120.200 -0.481 0.000 2.082 465 E HA -0.290 4.035 4.350 -0.042 0.000 0.215 465 E C 2.520 178.873 176.600 -0.412 0.000 1.048 465 E CA 1.864 57.767 56.400 -0.829 0.000 0.869 465 E CB -0.113 29.286 29.700 -0.501 0.000 0.773 465 E HN 0.369 nan 8.360 nan 0.000 0.466 466 R N 0.629 120.988 120.500 -0.235 0.000 2.091 466 R HA -0.198 4.116 4.340 -0.042 0.000 0.238 466 R C 1.921 178.158 176.300 -0.105 0.000 1.136 466 R CA 2.110 58.127 56.100 -0.140 0.000 0.959 466 R CB -0.349 29.886 30.300 -0.108 0.000 0.856 466 R HN 0.296 nan 8.270 nan 0.000 0.437 467 E N 0.118 120.258 120.200 -0.099 0.000 2.208 467 E HA -0.099 4.226 4.350 -0.042 0.000 0.193 467 E C 2.018 178.610 176.600 -0.013 0.000 0.988 467 E CA 0.843 57.217 56.400 -0.044 0.000 0.828 467 E CB -0.041 29.645 29.700 -0.024 0.000 0.763 467 E HN 0.535 nan 8.360 nan 0.000 0.478 468 A N 1.512 124.317 122.820 -0.025 0.000 1.902 468 A HA -0.280 4.015 4.320 -0.042 0.000 0.217 468 A C 2.078 179.680 177.584 0.029 0.000 1.181 468 A CA 1.493 53.558 52.037 0.045 0.000 0.623 468 A CB -0.437 18.633 19.000 0.117 0.000 0.818 468 A HN 0.171 nan 8.150 nan 0.000 0.443 469 Q N -0.380 119.415 119.800 -0.008 0.000 1.993 469 Q HA -0.159 4.156 4.340 -0.042 0.000 0.202 469 Q C 2.044 178.044 176.000 0.000 0.000 0.984 469 Q CA 1.580 57.381 55.803 -0.002 0.000 0.837 469 Q CB -0.439 28.285 28.738 -0.022 0.000 0.902 469 Q HN 0.604 nan 8.270 nan 0.000 0.423 470 I N 1.024 121.587 120.570 -0.011 0.000 2.143 470 I HA -0.308 3.836 4.170 -0.042 0.000 0.245 470 I C 2.299 178.420 176.117 0.008 0.000 1.068 470 I CA 1.463 62.759 61.300 -0.006 0.000 1.326 470 I CB -1.303 36.688 38.000 -0.014 0.000 1.028 470 I HN 0.309 nan 8.210 nan 0.000 0.412 471 I N 0.765 121.345 120.570 0.016 0.000 2.335 471 I HA -0.257 3.888 4.170 -0.042 0.000 0.251 471 I C 2.501 178.634 176.117 0.025 0.000 1.129 471 I CA 1.335 62.650 61.300 0.025 0.000 1.402 471 I CB -0.777 37.245 38.000 0.037 0.000 1.069 471 I HN 0.382 nan 8.210 nan 0.000 0.424 472 E N 0.457 120.672 120.200 0.025 0.000 2.017 472 E HA -0.239 4.086 4.350 -0.042 0.000 0.193 472 E C 1.688 178.300 176.600 0.020 0.000 0.997 472 E CA 1.210 57.624 56.400 0.024 0.000 0.804 472 E CB -0.035 29.679 29.700 0.024 0.000 0.757 472 E HN 0.261 nan 8.360 nan 0.000 0.448 473 E N 0.103 120.313 120.200 0.017 0.000 2.515 473 E HA -0.057 4.268 4.350 -0.042 0.000 0.201 473 E C 1.303 177.916 176.600 0.021 0.000 1.071 473 E CA 0.496 56.907 56.400 0.017 0.000 0.880 473 E CB -0.206 29.502 29.700 0.013 0.000 0.828 473 E HN 0.289 nan 8.360 nan 0.000 0.540 474 A N 0.042 122.875 122.820 0.021 0.000 2.121 474 A HA 0.020 4.315 4.320 -0.042 0.000 0.218 474 A C 2.085 179.684 177.584 0.026 0.000 1.154 474 A CA 1.298 53.349 52.037 0.023 0.000 0.679 474 A CB -0.332 18.681 19.000 0.022 0.000 0.795 474 A HN 0.287 nan 8.150 nan 0.000 0.458 475 G N -1.638 107.176 108.800 0.024 0.000 3.189 475 G HA2 0.323 4.258 3.960 -0.042 0.000 0.225 475 G HA3 0.323 4.258 3.960 -0.042 0.000 0.225 475 G C 0.642 175.557 174.900 0.025 0.000 1.159 475 G CA -0.008 45.106 45.100 0.023 0.000 0.763 475 G HN 0.455 nan 8.290 nan 0.000 0.549 476 Q N 0.638 120.455 119.800 0.028 0.000 2.222 476 Q HA 0.343 4.658 4.340 -0.042 0.000 0.211 476 Q C 0.665 176.688 176.000 0.038 0.000 1.013 476 Q CA -0.754 55.066 55.803 0.028 0.000 0.993 476 Q CB 0.598 29.351 28.738 0.026 0.000 1.151 476 Q HN 0.186 nan 8.270 nan 0.000 0.544 477 K N 0.547 120.968 120.400 0.034 0.000 2.504 477 K HA -0.022 4.273 4.320 -0.042 0.000 0.278 477 K C 0.300 176.944 176.600 0.073 0.000 1.025 477 K CA 1.091 57.401 56.287 0.038 0.000 1.093 477 K CB -0.800 31.714 32.500 0.023 0.000 0.873 477 K HN 0.764 nan 8.250 nan 0.000 0.483 478 G N 2.296 111.152 108.800 0.093 0.000 2.380 478 G HA2 -0.329 3.606 3.960 -0.042 0.000 0.298 478 G HA3 -0.329 3.606 3.960 -0.042 0.000 0.298 478 G C 0.420 175.469 174.900 0.247 0.000 0.989 478 G CA 0.615 45.844 45.100 0.215 0.000 0.836 478 G HN 1.176 nan 8.290 nan 0.000 0.511 479 A N -0.802 122.095 122.820 0.128 0.000 2.488 479 A HA 0.569 4.864 4.320 -0.042 0.000 0.249 479 A C 0.324 177.943 177.584 0.058 0.000 1.083 479 A CA 0.473 52.557 52.037 0.078 0.000 0.768 479 A CB 0.881 19.912 19.000 0.051 0.000 1.017 479 A HN 1.151 nan 8.150 nan 0.000 0.496 480 V N 3.624 123.548 119.914 0.018 0.000 2.447 480 V HA 0.530 4.625 4.120 -0.042 0.000 0.292 480 V C -0.202 175.907 176.094 0.025 0.000 1.021 480 V CA -0.350 61.943 62.300 -0.011 0.000 0.850 480 V CB 1.631 33.386 31.823 -0.113 0.000 1.005 480 V HN 0.982 nan 8.190 nan 0.000 0.426 481 T N 5.366 119.932 114.554 0.020 0.000 2.893 481 T HA 0.742 5.067 4.350 -0.042 0.000 0.293 481 T C -0.685 174.030 174.700 0.024 0.000 1.027 481 T CA -0.423 61.698 62.100 0.034 0.000 0.988 481 T CB 2.193 71.076 68.868 0.024 0.000 1.043 481 T HN 0.267 nan 8.240 nan 0.000 0.461 482 I N 2.412 123.007 120.570 0.041 0.000 2.378 482 I HA 0.655 4.800 4.170 -0.042 0.000 0.291 482 I C -0.095 176.040 176.117 0.030 0.000 0.992 482 I CA -0.314 60.999 61.300 0.021 0.000 1.154 482 I CB 1.386 39.392 38.000 0.010 0.000 1.315 482 I HN 0.876 nan 8.210 nan 0.000 0.448 483 A N 4.330 127.169 122.820 0.031 0.000 2.343 483 A HA 0.738 5.032 4.320 -0.042 0.000 0.308 483 A C -0.207 177.412 177.584 0.058 0.000 1.092 483 A CA -0.568 51.495 52.037 0.042 0.000 0.751 483 A CB 0.753 19.779 19.000 0.043 0.000 1.203 483 A HN 0.579 nan 8.150 nan 0.000 0.452 484 T N 2.508 117.098 114.554 0.059 0.000 2.926 484 T HA 0.121 4.445 4.350 -0.042 0.000 0.307 484 T C 1.658 176.416 174.700 0.095 0.000 1.059 484 T CA 0.573 62.719 62.100 0.078 0.000 1.122 484 T CB 0.382 69.289 68.868 0.064 0.000 0.972 484 T HN 0.878 nan 8.240 nan 0.000 0.545 485 N N 2.614 121.394 118.700 0.133 0.000 2.297 485 N HA -0.305 4.410 4.740 -0.042 0.000 0.198 485 N C 1.281 176.823 175.510 0.053 0.000 0.934 485 N CA 2.123 55.243 53.050 0.116 0.000 0.936 485 N CB -0.446 38.114 38.487 0.121 0.000 1.065 485 N HN 0.506 nan 8.380 nan 0.000 0.645 486 M N -0.529 119.108 119.600 0.063 0.000 2.466 486 M HA 0.304 4.759 4.480 -0.042 0.000 0.265 486 M C 0.714 177.060 176.300 0.076 0.000 1.122 486 M CA 0.402 55.738 55.300 0.061 0.000 1.157 486 M CB -0.866 31.782 32.600 0.080 0.000 1.352 486 M HN 0.244 nan 8.290 nan 0.000 0.464 487 A N 1.943 124.810 122.820 0.078 0.000 2.567 487 A HA 0.247 4.542 4.320 -0.042 0.000 0.263 487 A C 1.336 178.970 177.584 0.083 0.000 1.030 487 A CA 0.991 53.076 52.037 0.080 0.000 0.833 487 A CB -1.421 17.614 19.000 0.058 0.000 0.924 487 A HN 0.875 nan 8.150 nan 0.000 0.518 488 G N 2.993 111.864 108.800 0.120 0.000 2.372 488 G HA2 -0.274 3.661 3.960 -0.042 0.000 0.290 488 G HA3 -0.274 3.661 3.960 -0.042 0.000 0.290 488 G C 0.269 175.215 174.900 0.076 0.000 0.965 488 G CA 0.639 45.809 45.100 0.115 0.000 1.263 488 G HN 1.077 nan 8.290 nan 0.000 0.498 489 R N -0.309 120.226 120.500 0.058 0.000 2.590 489 R HA 0.430 4.745 4.340 -0.042 0.000 0.274 489 R C 1.554 177.862 176.300 0.013 0.000 1.061 489 R CA 1.134 57.246 56.100 0.021 0.000 1.081 489 R CB 0.385 30.682 30.300 -0.004 0.000 0.984 489 R HN 1.546 nan 8.270 nan 0.000 0.448 490 G N 1.898 110.698 108.800 -0.000 0.000 2.160 490 G HA2 -0.240 3.695 3.960 -0.042 0.000 0.244 490 G HA3 -0.240 3.695 3.960 -0.042 0.000 0.244 490 G C -0.313 174.589 174.900 0.004 0.000 1.022 490 G CA 0.268 45.358 45.100 -0.016 0.000 0.741 490 G HN 0.580 nan 8.290 nan 0.000 0.508 491 T N 0.633 115.205 114.554 0.030 0.000 2.879 491 T HA 0.482 4.807 4.350 -0.042 0.000 0.290 491 T C -0.854 173.864 174.700 0.030 0.000 0.993 491 T CA -0.737 61.389 62.100 0.043 0.000 0.975 491 T CB 1.909 70.826 68.868 0.083 0.000 0.981 491 T HN 0.112 nan 8.240 nan 0.000 0.439 492 D N 2.183 122.596 120.400 0.022 0.000 2.390 492 D HA 0.223 4.838 4.640 -0.042 0.000 0.249 492 D C 0.020 176.333 176.300 0.021 0.000 1.144 492 D CA -0.266 53.745 54.000 0.018 0.000 0.880 492 D CB 0.686 41.495 40.800 0.014 0.000 1.182 492 D HN 0.337 nan 8.370 nan 0.000 0.451 493 I N 3.606 124.187 120.570 0.019 0.000 2.243 493 I HA 0.018 4.163 4.170 -0.042 0.000 0.289 493 I C 0.832 176.959 176.117 0.017 0.000 1.140 493 I CA -0.757 60.555 61.300 0.019 0.000 1.289 493 I CB -0.380 37.631 38.000 0.018 0.000 1.498 493 I HN 0.074 nan 8.210 nan 0.000 0.561 494 K N 4.515 124.925 120.400 0.017 0.000 2.180 494 K HA 0.317 4.612 4.320 -0.042 0.000 0.251 494 K C -0.569 176.041 176.600 0.016 0.000 1.014 494 K CA -0.420 55.877 56.287 0.016 0.000 0.913 494 K CB 1.034 33.544 32.500 0.018 0.000 1.008 494 K HN 0.117 nan 8.250 nan 0.000 0.490 495 L N 1.404 122.636 121.223 0.015 0.000 2.312 495 L HA 0.360 4.675 4.340 -0.042 0.000 0.281 495 L C 1.129 178.008 176.870 0.015 0.000 1.070 495 L CA 0.173 55.022 54.840 0.015 0.000 0.805 495 L CB 0.955 43.021 42.059 0.012 0.000 1.174 495 L HN 0.938 nan 8.230 nan 0.000 0.434 496 G N 1.558 110.367 108.800 0.016 0.000 2.667 496 G HA2 0.136 4.071 3.960 -0.042 0.000 0.250 496 G HA3 0.136 4.071 3.960 -0.042 0.000 0.250 496 G C -0.221 174.686 174.900 0.012 0.000 1.212 496 G CA -0.537 44.572 45.100 0.015 0.000 0.874 496 G HN 0.642 nan 8.290 nan 0.000 0.561 497 E N 0.202 120.408 120.200 0.010 0.000 2.003 497 E HA 0.388 4.712 4.350 -0.042 0.000 0.279 497 E C 0.904 177.507 176.600 0.006 0.000 1.132 497 E CA 0.743 57.148 56.400 0.008 0.000 0.888 497 E CB 0.496 30.200 29.700 0.007 0.000 1.056 497 E HN 0.891 nan 8.360 nan 0.000 0.399 498 G N 2.035 110.838 108.800 0.006 0.000 2.168 498 G HA2 -0.243 3.692 3.960 -0.042 0.000 0.197 498 G HA3 -0.243 3.692 3.960 -0.042 0.000 0.197 498 G C 0.812 175.715 174.900 0.005 0.000 0.997 498 G CA 0.010 45.112 45.100 0.004 0.000 0.658 498 G HN 0.456 nan 8.290 nan 0.000 0.513 499 V N 2.510 122.429 119.914 0.008 0.000 2.446 499 V HA -0.048 4.047 4.120 -0.042 0.000 0.244 499 V C 2.956 179.055 176.094 0.009 0.000 1.039 499 V CA 2.430 64.737 62.300 0.010 0.000 1.045 499 V CB -0.088 31.744 31.823 0.014 0.000 0.681 499 V HN 0.637 nan 8.190 nan 0.000 0.459 500 K N 0.851 121.256 120.400 0.008 0.000 2.113 500 K HA -0.237 4.058 4.320 -0.042 0.000 0.208 500 K C 1.256 177.859 176.600 0.005 0.000 1.047 500 K CA 1.852 58.142 56.287 0.006 0.000 0.928 500 K CB -0.537 31.966 32.500 0.005 0.000 0.716 500 K HN 0.395 nan 8.250 nan 0.000 0.446 501 E N 0.776 120.979 120.200 0.004 0.000 2.405 501 E HA 0.101 4.426 4.350 -0.042 0.000 0.194 501 E C 0.892 177.494 176.600 0.003 0.000 1.149 501 E CA 0.219 56.620 56.400 0.003 0.000 0.933 501 E CB -0.130 29.571 29.700 0.001 0.000 1.028 501 E HN 0.345 nan 8.360 nan 0.000 0.487 502 L N -2.634 118.592 121.223 0.005 0.000 3.128 502 L HA 0.349 4.664 4.340 -0.042 0.000 0.277 502 L C 1.402 178.277 176.870 0.009 0.000 1.171 502 L CA 0.254 55.097 54.840 0.006 0.000 1.008 502 L CB 0.869 42.932 42.059 0.008 0.000 1.442 502 L HN 0.325 nan 8.230 nan 0.000 0.584 503 G N -0.419 108.386 108.800 0.009 0.000 2.352 503 G HA2 0.018 3.952 3.960 -0.042 0.000 0.204 503 G HA3 0.018 3.952 3.960 -0.042 0.000 0.204 503 G C 0.697 175.603 174.900 0.010 0.000 1.004 503 G CA -0.327 44.778 45.100 0.010 0.000 0.648 503 G HN 0.828 nan 8.290 nan 0.000 0.491 504 G N -0.510 108.297 108.800 0.012 0.000 2.466 504 G HA2 0.236 4.170 3.960 -0.042 0.000 0.218 504 G HA3 0.236 4.170 3.960 -0.042 0.000 0.218 504 G C -0.285 174.625 174.900 0.016 0.000 1.237 504 G CA 0.087 45.195 45.100 0.012 0.000 0.954 504 G HN 1.733 nan 8.290 nan 0.000 0.580 505 L N 1.813 123.044 121.223 0.014 0.000 2.361 505 L HA 0.701 5.015 4.340 -0.042 0.000 0.278 505 L C 1.038 177.914 176.870 0.011 0.000 1.113 505 L CA 0.478 55.327 54.840 0.014 0.000 0.849 505 L CB 0.345 42.411 42.059 0.011 0.000 1.155 505 L HN 1.728 nan 8.230 nan 0.000 0.452 506 A N 5.929 128.758 122.820 0.016 0.000 2.302 506 A HA 0.574 4.869 4.320 -0.042 0.000 0.295 506 A C -0.543 177.041 177.584 0.001 0.000 1.235 506 A CA -0.509 51.536 52.037 0.014 0.000 0.876 506 A CB 0.039 19.056 19.000 0.029 0.000 1.133 506 A HN 0.562 nan 8.150 nan 0.000 0.533 507 V N 4.225 124.127 119.914 -0.020 0.000 2.370 507 V HA 0.400 4.495 4.120 -0.042 0.000 0.279 507 V C -0.060 175.990 176.094 -0.074 0.000 1.029 507 V CA -0.498 61.771 62.300 -0.051 0.000 0.870 507 V CB 1.084 32.861 31.823 -0.077 0.000 0.984 507 V HN 0.590 nan 8.190 nan 0.000 0.451 508 V N 3.303 123.185 119.914 -0.053 0.000 2.513 508 V HA 0.787 4.882 4.120 -0.042 0.000 0.299 508 V C 0.687 176.730 176.094 -0.085 0.000 1.035 508 V CA -0.402 61.894 62.300 -0.007 0.000 0.889 508 V CB 1.864 33.727 31.823 0.068 0.000 0.988 508 V HN 0.951 nan 8.190 nan 0.000 0.440 509 G N 1.004 109.720 108.800 -0.140 0.000 2.671 509 G HA2 0.424 4.359 3.960 -0.042 0.000 0.318 509 G HA3 0.424 4.359 3.960 -0.042 0.000 0.318 509 G C 0.790 175.799 174.900 0.181 0.000 1.250 509 G CA 0.364 45.338 45.100 -0.210 0.000 1.028 509 G HN 0.875 nan 8.290 nan 0.000 0.501 510 T N -0.822 113.827 114.554 0.158 0.000 3.007 510 T HA 0.092 4.417 4.350 -0.042 0.000 0.270 510 T C 0.571 175.378 174.700 0.178 0.000 1.107 510 T CA 1.123 63.333 62.100 0.182 0.000 1.118 510 T CB -0.364 68.590 68.868 0.143 0.000 0.889 510 T HN 0.727 nan 8.240 nan 0.000 0.506 511 E N -0.491 119.815 120.200 0.177 0.000 2.419 511 E HA 0.337 4.662 4.350 -0.042 0.000 0.285 511 E C -1.373 175.208 176.600 -0.032 0.000 1.079 511 E CA -1.374 55.078 56.400 0.086 0.000 0.864 511 E CB 0.843 30.552 29.700 0.016 0.000 1.216 511 E HN -0.014 nan 8.360 nan 0.000 0.428 512 R N 1.711 122.115 120.500 -0.160 0.000 2.582 512 R HA 0.364 4.679 4.340 -0.042 0.000 0.271 512 R C 0.026 176.173 176.300 -0.255 0.000 1.078 512 R CA -0.287 55.615 56.100 -0.330 0.000 1.127 512 R CB -0.001 30.066 30.300 -0.389 0.000 1.038 512 R HN 0.622 nan 8.270 nan 0.000 0.500 513 H N 0.499 119.565 119.070 -0.005 0.000 2.839 513 H HA 0.119 4.710 4.556 0.059 0.000 0.211 513 H C 0.808 176.135 175.328 -0.001 0.000 1.535 513 H CA -0.313 55.749 56.048 0.024 0.000 1.621 513 H CB 0.423 30.215 29.762 0.050 0.000 1.522 513 H HN 0.445 nan 8.280 nan 0.000 0.873 514 E N -0.326 119.985 120.200 0.185 0.000 2.474 514 E HA 0.165 4.490 4.350 -0.042 0.000 0.194 514 E C -0.464 176.178 176.600 0.070 0.000 1.041 514 E CA 0.190 56.643 56.400 0.088 0.000 0.874 514 E CB 0.577 30.322 29.700 0.075 0.000 0.914 514 E HN 0.255 nan 8.360 nan 0.000 0.498 515 S N -0.735 115.017 115.700 0.087 0.000 2.584 515 S HA 0.313 4.758 4.470 -0.042 0.000 0.280 515 S C 0.222 174.855 174.600 0.055 0.000 1.162 515 S CA -0.601 57.632 58.200 0.054 0.000 0.951 515 S CB 0.802 64.029 63.200 0.045 0.000 1.108 515 S HN -0.176 nan 8.310 nan 0.000 0.464 516 R N 2.367 122.887 120.500 0.034 0.000 2.127 516 R HA 0.066 4.381 4.340 -0.042 0.000 0.238 516 R C 2.186 178.510 176.300 0.042 0.000 1.134 516 R CA 1.558 57.676 56.100 0.031 0.000 0.975 516 R CB -0.266 30.040 30.300 0.009 0.000 0.865 516 R HN 0.592 nan 8.270 nan 0.000 0.447 517 R N -0.076 120.442 120.500 0.031 0.000 2.133 517 R HA -0.168 4.146 4.340 -0.042 0.000 0.247 517 R C 2.007 178.302 176.300 -0.007 0.000 1.151 517 R CA 1.830 57.943 56.100 0.021 0.000 0.971 517 R CB -0.482 29.835 30.300 0.029 0.000 0.866 517 R HN 0.296 nan 8.270 nan 0.000 0.447 518 I N 0.098 120.641 120.570 -0.046 0.000 2.480 518 I HA -0.174 3.971 4.170 -0.042 0.000 0.251 518 I C 1.656 177.694 176.117 -0.132 0.000 1.124 518 I CA 0.761 61.929 61.300 -0.219 0.000 1.444 518 I CB -0.303 37.409 38.000 -0.480 0.000 1.098 518 I HN 0.013 nan 8.210 nan 0.000 0.428 519 D N 1.597 122.097 120.400 0.168 0.000 2.116 519 D HA -0.172 4.443 4.640 -0.042 0.000 0.193 519 D C 1.791 178.273 176.300 0.303 0.000 0.998 519 D CA 1.365 55.612 54.000 0.411 0.000 0.836 519 D CB -0.483 40.453 40.800 0.226 0.000 0.951 519 D HN 0.369 nan 8.370 nan 0.000 0.449 520 N N 0.759 119.554 118.700 0.159 0.000 2.309 520 N HA -0.143 4.572 4.740 -0.042 0.000 0.182 520 N C 1.801 177.355 175.510 0.073 0.000 1.018 520 N CA 0.445 53.562 53.050 0.111 0.000 0.876 520 N CB -0.297 38.229 38.487 0.065 0.000 0.972 520 N HN 0.384 nan 8.380 nan 0.000 0.434 521 Q N 0.427 120.255 119.800 0.045 0.000 2.046 521 Q HA -0.061 4.253 4.340 -0.042 0.000 0.200 521 Q C 2.054 178.071 176.000 0.029 0.000 0.975 521 Q CA 0.844 56.653 55.803 0.011 0.000 0.836 521 Q CB -0.073 28.643 28.738 -0.037 0.000 0.896 521 Q HN 0.230 nan 8.270 nan 0.000 0.428 522 L N 0.858 122.121 121.223 0.066 0.000 1.970 522 L HA -0.221 4.094 4.340 -0.042 0.000 0.212 522 L C 2.077 178.977 176.870 0.051 0.000 1.071 522 L CA 1.916 56.808 54.840 0.087 0.000 0.751 522 L CB -0.418 41.759 42.059 0.196 0.000 0.889 522 L HN 0.097 nan 8.230 nan 0.000 0.432 523 R N -0.439 120.103 120.500 0.071 0.000 2.127 523 R HA -0.084 4.231 4.340 -0.042 0.000 0.238 523 R C 1.924 178.239 176.300 0.026 0.000 1.134 523 R CA 1.018 57.140 56.100 0.036 0.000 0.975 523 R CB -0.918 29.428 30.300 0.076 0.000 0.865 523 R HN 0.606 nan 8.270 nan 0.000 0.447 524 G N 0.725 109.543 108.800 0.031 0.000 3.124 524 G HA2 -0.112 3.823 3.960 -0.042 0.000 0.212 524 G HA3 -0.112 3.823 3.960 -0.042 0.000 0.212 524 G C 1.101 176.007 174.900 0.011 0.000 1.181 524 G CA -0.314 44.796 45.100 0.017 0.000 0.803 524 G HN 0.240 nan 8.290 nan 0.000 0.529 525 R N 0.246 120.753 120.500 0.012 0.000 2.161 525 R HA 0.084 4.399 4.340 -0.042 0.000 0.213 525 R C 1.045 177.349 176.300 0.007 0.000 1.055 525 R CA 0.481 56.588 56.100 0.010 0.000 0.996 525 R CB 0.007 30.315 30.300 0.014 0.000 0.901 525 R HN 0.309 nan 8.270 nan 0.000 0.456 526 S N -0.532 115.171 115.700 0.005 0.000 2.501 526 S HA 0.497 4.942 4.470 -0.042 0.000 0.301 526 S C 0.443 175.044 174.600 0.002 0.000 1.096 526 S CA 0.127 58.329 58.200 0.003 0.000 1.063 526 S CB 1.804 65.004 63.200 -0.001 0.000 1.042 526 S HN 0.469 nan 8.310 nan 0.000 0.494 527 G N 3.598 112.398 108.800 0.001 0.000 2.164 527 G HA2 -0.182 3.753 3.960 -0.042 0.000 0.212 527 G HA3 -0.182 3.753 3.960 -0.042 0.000 0.212 527 G C -0.198 174.698 174.900 -0.007 0.000 1.031 527 G CA 0.039 45.138 45.100 -0.002 0.000 0.730 527 G HN 1.066 nan 8.290 nan 0.000 0.501 528 R N -0.486 120.010 120.500 -0.006 0.000 2.459 528 R HA 0.648 4.963 4.340 -0.042 0.000 0.281 528 R C 0.532 176.822 176.300 -0.018 0.000 1.050 528 R CA -0.347 55.746 56.100 -0.011 0.000 1.055 528 R CB 0.668 30.965 30.300 -0.004 0.000 1.045 528 R HN 0.135 nan 8.270 nan 0.000 0.495 529 Q N 0.451 120.232 119.800 -0.032 0.000 2.453 529 Q HA -0.224 4.091 4.340 -0.042 0.000 0.294 529 Q C 0.712 176.685 176.000 -0.044 0.000 1.295 529 Q CA 1.335 57.110 55.803 -0.047 0.000 0.853 529 Q CB -1.910 26.811 28.738 -0.029 0.000 1.193 529 Q HN 1.300 nan 8.270 nan 0.000 0.461 530 G N -0.140 108.635 108.800 -0.042 0.000 2.180 530 G HA2 -0.300 3.635 3.960 -0.042 0.000 0.263 530 G HA3 -0.300 3.635 3.960 -0.042 0.000 0.263 530 G C -0.134 174.754 174.900 -0.020 0.000 0.989 530 G CA 0.537 45.617 45.100 -0.034 0.000 0.692 530 G HN 0.480 nan 8.290 nan 0.000 0.526 531 D N 1.260 121.651 120.400 -0.015 0.000 2.372 531 D HA 0.457 5.071 4.640 -0.042 0.000 0.243 531 D C -1.540 174.757 176.300 -0.005 0.000 1.121 531 D CA -1.079 52.917 54.000 -0.007 0.000 0.898 531 D CB 0.952 41.750 40.800 -0.003 0.000 1.202 531 D HN 0.239 nan 8.370 nan 0.000 0.428 532 P HA 0.448 nan 4.420 nan 0.000 0.276 532 P C -0.195 177.106 177.300 0.002 0.000 1.244 532 P CA -0.447 62.653 63.100 -0.001 0.000 0.801 532 P CB 1.348 33.048 31.700 0.001 0.000 1.006 533 G N -0.142 108.659 108.800 0.002 0.000 2.495 533 G HA2 0.535 4.470 3.960 -0.042 0.000 0.294 533 G HA3 0.535 4.470 3.960 -0.042 0.000 0.294 533 G C -2.219 172.682 174.900 0.002 0.000 1.397 533 G CA -0.424 44.678 45.100 0.003 0.000 0.790 533 G HN 0.578 nan 8.290 nan 0.000 0.486 534 I N 0.359 120.929 120.570 0.000 0.000 2.686 534 I HA 0.788 4.933 4.170 -0.042 0.000 0.295 534 I C -0.254 175.852 176.117 -0.017 0.000 1.114 534 I CA -0.307 60.991 61.300 -0.003 0.000 1.038 534 I CB 2.578 40.580 38.000 0.003 0.000 1.238 534 I HN 0.912 nan 8.210 nan 0.000 0.420 535 T N 3.121 117.659 114.554 -0.028 0.000 2.886 535 T HA 0.767 5.092 4.350 -0.042 0.000 0.292 535 T C -0.988 173.658 174.700 -0.089 0.000 1.012 535 T CA -0.633 61.423 62.100 -0.073 0.000 0.982 535 T CB 1.652 70.476 68.868 -0.073 0.000 1.018 535 T HN 0.655 nan 8.240 nan 0.000 0.451 536 Q N 2.157 121.860 119.800 -0.162 0.000 2.305 536 Q HA 0.630 4.945 4.340 -0.042 0.000 0.271 536 Q C -2.088 173.738 176.000 -0.289 0.000 1.046 536 Q CA -0.702 54.998 55.803 -0.170 0.000 0.798 536 Q CB 1.430 30.086 28.738 -0.136 0.000 1.286 536 Q HN 0.729 nan 8.270 nan 0.000 0.435 537 F N 2.567 122.430 119.950 -0.144 0.000 2.377 537 F HA 0.560 5.046 4.527 -0.069 0.000 0.328 537 F C -0.541 175.105 175.800 -0.257 0.000 1.094 537 F CA -0.099 57.840 58.000 -0.102 0.000 1.093 537 F CB 1.073 40.040 39.000 -0.055 0.000 1.214 537 F HN 0.501 nan 8.300 nan 0.000 0.518 538 Y N 2.700 123.165 120.300 0.276 0.000 2.386 538 Y HA 0.623 5.144 4.550 -0.048 0.000 0.334 538 Y C -0.848 175.149 175.900 0.161 0.000 1.002 538 Y CA -0.843 57.376 58.100 0.197 0.000 1.068 538 Y CB 1.528 40.069 38.460 0.134 0.000 1.203 538 Y HN 0.250 nan 8.280 nan 0.000 0.443 539 L N 2.452 123.839 121.223 0.274 0.000 2.327 539 L HA 0.877 5.192 4.340 -0.042 0.000 0.258 539 L C -0.444 176.516 176.870 0.151 0.000 1.024 539 L CA -1.015 53.911 54.840 0.144 0.000 0.825 539 L CB 2.458 44.551 42.059 0.057 0.000 1.386 539 L HN 0.594 nan 8.230 nan 0.000 0.417 540 S N -0.348 115.385 115.700 0.055 0.000 2.632 540 S HA 0.529 4.974 4.470 -0.042 0.000 0.289 540 S C 0.177 174.778 174.600 0.001 0.000 1.115 540 S CA -0.831 57.396 58.200 0.045 0.000 0.889 540 S CB 1.842 65.019 63.200 -0.038 0.000 1.116 540 S HN 0.697 nan 8.310 nan 0.000 0.486 541 M N 0.896 120.497 119.600 0.003 0.000 2.630 541 M HA 0.074 4.529 4.480 -0.042 0.000 0.254 541 M C 1.287 177.573 176.300 -0.024 0.000 1.092 541 M CA 0.977 56.269 55.300 -0.014 0.000 1.087 541 M CB -0.357 32.237 32.600 -0.010 0.000 1.453 541 M HN 0.798 nan 8.290 nan 0.000 0.509 542 E N -0.135 120.045 120.200 -0.034 0.000 2.474 542 E HA -0.015 4.309 4.350 -0.042 0.000 0.194 542 E C -0.404 176.171 176.600 -0.041 0.000 1.041 542 E CA -0.157 56.220 56.400 -0.038 0.000 0.874 542 E CB 0.262 29.931 29.700 -0.051 0.000 0.914 542 E HN 0.353 nan 8.360 nan 0.000 0.498 543 D N 1.947 122.320 120.400 -0.045 0.000 2.487 543 D HA -0.083 4.532 4.640 -0.042 0.000 0.243 543 D C 1.144 177.421 176.300 -0.039 0.000 1.154 543 D CA 0.283 54.258 54.000 -0.041 0.000 0.876 543 D CB 0.667 41.445 40.800 -0.036 0.000 1.161 543 D HN -0.049 nan 8.370 nan 0.000 0.478 544 E N 1.720 121.903 120.200 -0.028 0.000 2.239 544 E HA -0.288 4.037 4.350 -0.042 0.000 0.240 544 E C 1.891 178.457 176.600 -0.057 0.000 1.079 544 E CA 1.787 58.170 56.400 -0.029 0.000 0.991 544 E CB -0.248 29.443 29.700 -0.016 0.000 0.863 544 E HN 0.618 nan 8.360 nan 0.000 0.491 545 L N -1.492 119.689 121.223 -0.069 0.000 2.376 545 L HA -0.030 4.285 4.340 -0.042 0.000 0.219 545 L C 2.286 179.082 176.870 -0.124 0.000 1.133 545 L CA 1.119 55.895 54.840 -0.106 0.000 0.816 545 L CB -0.289 41.713 42.059 -0.096 0.000 0.933 545 L HN 0.006 nan 8.230 nan 0.000 0.449 546 M N 0.335 119.881 119.600 -0.090 0.000 2.132 546 M HA -0.038 4.417 4.480 -0.042 0.000 0.263 546 M C 1.544 177.794 176.300 -0.083 0.000 1.065 546 M CA 1.179 56.431 55.300 -0.080 0.000 1.122 546 M CB -0.821 31.747 32.600 -0.053 0.000 1.365 546 M HN 0.160 nan 8.290 nan 0.000 0.411 547 R N 0.661 121.117 120.500 -0.073 0.000 4.510 547 R HA 0.109 4.424 4.340 -0.042 0.000 0.170 547 R C -0.390 175.837 176.300 -0.121 0.000 1.906 547 R CA 0.165 56.233 56.100 -0.055 0.000 1.492 547 R CB -0.374 29.912 30.300 -0.025 0.000 1.383 547 R HN 0.066 nan 8.270 nan 0.000 0.823 548 R N -0.152 120.232 120.500 -0.192 0.000 2.781 548 R HA 0.347 4.662 4.340 -0.042 0.000 0.269 548 R C -0.898 175.249 176.300 -0.256 0.000 1.025 548 R CA -0.736 55.060 56.100 -0.506 0.000 0.914 548 R CB 0.918 30.794 30.300 -0.707 0.000 1.236 548 R HN 0.056 nan 8.270 nan 0.000 0.465 549 F N 0.563 120.511 119.950 -0.004 0.000 2.435 549 F HA 0.285 4.790 4.527 -0.036 0.000 0.316 549 F C 1.878 177.675 175.800 -0.006 0.000 1.220 549 F CA 0.393 58.391 58.000 -0.004 0.000 1.241 549 F CB 0.294 39.294 39.000 0.000 0.000 1.234 549 F HN 0.731 nan 8.300 nan 0.000 0.569 550 G N 0.266 109.179 108.800 0.189 0.000 2.623 550 G HA2 -0.405 3.530 3.960 -0.042 0.000 0.241 550 G HA3 -0.405 3.530 3.960 -0.042 0.000 0.241 550 G C 0.908 175.837 174.900 0.048 0.000 1.114 550 G CA 0.519 45.676 45.100 0.094 0.000 0.682 550 G HN 1.231 nan 8.290 nan 0.000 0.524 551 A N -0.102 122.736 122.820 0.029 0.000 2.423 551 A HA 0.563 4.858 4.320 -0.042 0.000 0.246 551 A C 1.327 178.909 177.584 -0.003 0.000 1.278 551 A CA 1.094 53.132 52.037 0.000 0.000 0.903 551 A CB 0.011 18.996 19.000 -0.025 0.000 0.997 551 A HN 0.332 nan 8.150 nan 0.000 0.510 552 E N 1.073 121.281 120.200 0.013 0.000 2.352 552 E HA -0.060 4.265 4.350 -0.042 0.000 0.197 552 E C 1.407 178.003 176.600 -0.006 0.000 1.224 552 E CA 0.161 56.564 56.400 0.005 0.000 1.118 552 E CB -0.198 29.515 29.700 0.021 0.000 1.198 552 E HN 0.849 nan 8.360 nan 0.000 0.454 553 R N -2.273 118.221 120.500 -0.009 0.000 2.164 553 R HA 0.158 4.472 4.340 -0.042 0.000 0.198 553 R C 2.008 178.294 176.300 -0.023 0.000 1.028 553 R CA 0.335 56.426 56.100 -0.015 0.000 1.083 553 R CB -0.437 29.859 30.300 -0.008 0.000 1.026 553 R HN -0.158 nan 8.270 nan 0.000 0.514 554 T N 2.354 116.895 114.554 -0.021 0.000 2.770 554 T HA -0.008 4.317 4.350 -0.042 0.000 0.263 554 T C 2.006 176.688 174.700 -0.031 0.000 1.039 554 T CA 1.854 63.939 62.100 -0.025 0.000 1.142 554 T CB -0.141 68.712 68.868 -0.025 0.000 0.868 554 T HN 0.207 nan 8.240 nan 0.000 0.435 555 M N 1.460 121.042 119.600 -0.030 0.000 2.073 555 M HA -0.102 4.353 4.480 -0.042 0.000 0.258 555 M C 2.791 179.068 176.300 -0.039 0.000 1.070 555 M CA 2.013 57.295 55.300 -0.031 0.000 1.103 555 M CB -0.974 31.611 32.600 -0.026 0.000 1.321 555 M HN 0.250 nan 8.290 nan 0.000 0.405 556 A N 0.480 123.275 122.820 -0.042 0.000 1.933 556 A HA -0.149 4.146 4.320 -0.042 0.000 0.218 556 A C 2.332 179.861 177.584 -0.091 0.000 1.175 556 A CA 1.650 53.650 52.037 -0.061 0.000 0.628 556 A CB -0.677 18.291 19.000 -0.053 0.000 0.814 556 A HN 0.522 nan 8.150 nan 0.000 0.444 557 M N 0.018 119.574 119.600 -0.075 0.000 2.067 557 M HA -0.114 4.341 4.480 -0.042 0.000 0.260 557 M C 2.069 178.325 176.300 -0.074 0.000 1.069 557 M CA 1.764 57.015 55.300 -0.081 0.000 1.117 557 M CB -0.861 31.717 32.600 -0.037 0.000 1.334 557 M HN 0.466 nan 8.290 nan 0.000 0.407 558 L N -0.350 120.844 121.223 -0.048 0.000 2.079 558 L HA -0.273 4.042 4.340 -0.042 0.000 0.210 558 L C 2.073 178.917 176.870 -0.043 0.000 1.081 558 L CA 1.331 56.150 54.840 -0.036 0.000 0.752 558 L CB -1.279 40.760 42.059 -0.033 0.000 0.896 558 L HN 0.297 nan 8.230 nan 0.000 0.433 559 D N -0.077 120.288 120.400 -0.059 0.000 2.182 559 D HA -0.117 4.498 4.640 -0.042 0.000 0.201 559 D C 1.231 177.476 176.300 -0.092 0.000 0.986 559 D CA 1.065 55.028 54.000 -0.062 0.000 0.847 559 D CB 0.109 40.871 40.800 -0.064 0.000 0.942 559 D HN 0.215 nan 8.370 nan 0.000 0.467 560 R N -0.749 119.653 120.500 -0.163 0.000 2.589 560 R HA 0.268 4.583 4.340 -0.042 0.000 0.293 560 R C -0.402 175.760 176.300 -0.229 0.000 0.963 560 R CA -0.478 55.431 56.100 -0.319 0.000 0.905 560 R CB 1.072 31.014 30.300 -0.597 0.000 1.144 560 R HN -0.039 nan 8.270 nan 0.000 0.459 561 F N 1.971 121.919 119.950 -0.004 0.000 2.563 561 F HA -0.225 4.277 4.527 -0.042 0.000 0.351 561 F C 0.625 176.421 175.800 -0.007 0.000 1.086 561 F CA 0.485 58.482 58.000 -0.005 0.000 1.174 561 F CB -1.261 37.736 39.000 -0.006 0.000 1.590 561 F HN 1.000 nan 8.300 nan 0.000 0.808 562 G N 2.681 111.574 108.800 0.156 0.000 3.115 562 G HA2 -0.044 3.891 3.960 -0.042 0.000 0.291 562 G HA3 -0.044 3.891 3.960 -0.042 0.000 0.291 562 G C -0.863 174.066 174.900 0.049 0.000 1.012 562 G CA -0.059 45.093 45.100 0.086 0.000 0.929 562 G HN 0.825 nan 8.290 nan 0.000 0.413 563 M N 2.103 121.723 119.600 0.033 0.000 2.295 563 M HA 0.311 4.766 4.480 -0.042 0.000 0.219 563 M C -1.683 174.630 176.300 0.022 0.000 0.981 563 M CA -0.588 54.721 55.300 0.016 0.000 1.019 563 M CB 0.957 33.559 32.600 0.004 0.000 2.528 563 M HN 0.386 nan 8.290 nan 0.000 0.445 564 D N 2.111 122.526 120.400 0.025 0.000 2.362 564 D HA 0.276 4.891 4.640 -0.042 0.000 0.247 564 D C 0.015 176.352 176.300 0.063 0.000 1.050 564 D CA -0.392 53.633 54.000 0.042 0.000 0.839 564 D CB 1.767 42.590 40.800 0.039 0.000 1.283 564 D HN 0.412 nan 8.370 nan 0.000 0.477 565 D N 0.549 121.013 120.400 0.107 0.000 2.407 565 D HA -0.116 4.499 4.640 -0.042 0.000 0.234 565 D C 1.560 177.987 176.300 0.211 0.000 1.029 565 D CA 0.463 54.594 54.000 0.219 0.000 0.937 565 D CB 0.069 41.002 40.800 0.222 0.000 0.882 565 D HN 0.373 nan 8.370 nan 0.000 0.531 566 S N -0.641 115.129 115.700 0.117 0.000 2.400 566 S HA -0.101 4.344 4.470 -0.042 0.000 0.232 566 S C 1.017 175.672 174.600 0.092 0.000 1.025 566 S CA 0.639 58.895 58.200 0.094 0.000 0.993 566 S CB 0.074 63.308 63.200 0.057 0.000 0.808 566 S HN 0.031 nan 8.310 nan 0.000 0.478 567 T N 3.076 117.660 114.554 0.049 0.000 2.952 567 T HA 0.575 4.900 4.350 -0.042 0.000 0.305 567 T C -2.886 171.696 174.700 -0.195 0.000 1.064 567 T CA -1.300 60.782 62.100 -0.029 0.000 1.008 567 T CB 2.613 71.465 68.868 -0.026 0.000 1.078 567 T HN 0.098 nan 8.240 nan 0.000 0.459 568 P HA 0.482 nan 4.420 nan 0.000 0.307 568 P C -0.803 176.312 177.300 -0.308 0.000 1.306 568 P CA -0.604 62.086 63.100 -0.683 0.000 0.742 568 P CB 1.021 32.184 31.700 -0.895 0.000 1.349 569 I N 0.433 120.848 120.570 -0.257 0.000 2.406 569 I HA 0.244 4.389 4.170 -0.042 0.000 0.290 569 I C 0.064 176.111 176.117 -0.116 0.000 0.999 569 I CA -0.324 60.892 61.300 -0.140 0.000 1.124 569 I CB 1.464 39.405 38.000 -0.098 0.000 1.289 569 I HN 0.415 nan 8.210 nan 0.000 0.441 570 Q N 4.813 124.562 119.800 -0.085 0.000 2.700 570 Q HA 0.302 4.616 4.340 -0.042 0.000 0.249 570 Q C -1.258 174.715 176.000 -0.046 0.000 1.033 570 Q CA -0.114 55.650 55.803 -0.066 0.000 0.804 570 Q CB 1.147 29.848 28.738 -0.062 0.000 1.164 570 Q HN 0.570 nan 8.270 nan 0.000 0.500 571 S N 2.129 117.804 115.700 -0.042 0.000 2.566 571 S HA 0.196 4.641 4.470 -0.042 0.000 0.324 571 S C 0.640 175.222 174.600 -0.029 0.000 1.081 571 S CA -0.495 57.687 58.200 -0.030 0.000 1.105 571 S CB 1.176 64.361 63.200 -0.026 0.000 0.981 571 S HN 0.724 nan 8.310 nan 0.000 0.464 572 K N 4.063 124.449 120.400 -0.024 0.000 2.293 572 K HA -0.162 4.133 4.320 -0.042 0.000 0.204 572 K C 1.917 178.503 176.600 -0.024 0.000 1.045 572 K CA 1.638 57.911 56.287 -0.023 0.000 0.933 572 K CB -0.117 32.372 32.500 -0.018 0.000 0.736 572 K HN 0.760 nan 8.250 nan 0.000 0.463 573 M N -0.060 119.527 119.600 -0.021 0.000 2.132 573 M HA -0.152 4.303 4.480 -0.042 0.000 0.263 573 M C 1.485 177.770 176.300 -0.027 0.000 1.065 573 M CA 1.581 56.868 55.300 -0.020 0.000 1.122 573 M CB 0.056 32.647 32.600 -0.015 0.000 1.365 573 M HN 0.041 nan 8.290 nan 0.000 0.411 574 V N -0.007 119.888 119.914 -0.031 0.000 2.237 574 V HA -0.242 3.853 4.120 -0.042 0.000 0.245 574 V C 2.452 178.519 176.094 -0.045 0.000 1.046 574 V CA 1.996 64.273 62.300 -0.038 0.000 1.007 574 V CB -1.508 30.290 31.823 -0.042 0.000 0.638 574 V HN 0.672 nan 8.190 nan 0.000 0.445 575 S N -0.241 115.431 115.700 -0.047 0.000 2.457 575 S HA -0.403 4.042 4.470 -0.042 0.000 0.269 575 S C 2.187 176.756 174.600 -0.052 0.000 1.139 575 S CA 2.747 60.916 58.200 -0.052 0.000 1.176 575 S CB -0.349 62.826 63.200 -0.041 0.000 1.088 575 S HN 0.597 nan 8.310 nan 0.000 0.443 576 R N 0.315 120.791 120.500 -0.040 0.000 2.073 576 R HA 0.068 4.382 4.340 -0.042 0.000 0.229 576 R C 2.717 178.995 176.300 -0.037 0.000 1.120 576 R CA 1.182 57.261 56.100 -0.035 0.000 0.967 576 R CB -0.603 29.682 30.300 -0.025 0.000 0.862 576 R HN 0.514 nan 8.270 nan 0.000 0.436 577 A N 0.734 123.532 122.820 -0.037 0.000 1.972 577 A HA -0.101 4.194 4.320 -0.042 0.000 0.219 577 A C 2.305 179.859 177.584 -0.049 0.000 1.169 577 A CA 1.177 53.192 52.037 -0.036 0.000 0.635 577 A CB -0.401 18.580 19.000 -0.033 0.000 0.810 577 A HN 0.103 nan 8.150 nan 0.000 0.446 578 V N -0.351 119.527 119.914 -0.060 0.000 2.244 578 V HA -0.223 3.872 4.120 -0.042 0.000 0.244 578 V C 2.509 178.556 176.094 -0.078 0.000 1.042 578 V CA 2.345 64.599 62.300 -0.078 0.000 1.006 578 V CB -0.664 31.103 31.823 -0.093 0.000 0.641 578 V HN 0.634 nan 8.190 nan 0.000 0.446 579 E N 0.439 120.596 120.200 -0.072 0.000 2.219 579 E HA -0.178 4.146 4.350 -0.042 0.000 0.198 579 E C 2.233 178.804 176.600 -0.048 0.000 0.998 579 E CA 1.589 57.951 56.400 -0.063 0.000 0.818 579 E CB -0.210 29.457 29.700 -0.055 0.000 0.741 579 E HN 0.709 nan 8.360 nan 0.000 0.477 580 S N -0.753 114.921 115.700 -0.044 0.000 2.357 580 S HA -0.089 4.356 4.470 -0.042 0.000 0.221 580 S C 2.095 176.671 174.600 -0.040 0.000 1.031 580 S CA 0.989 59.170 58.200 -0.032 0.000 0.982 580 S CB -0.240 62.946 63.200 -0.023 0.000 0.853 580 S HN 0.170 nan 8.310 nan 0.000 0.458 581 S N 1.694 117.356 115.700 -0.063 0.000 2.399 581 S HA -0.155 4.289 4.470 -0.042 0.000 0.231 581 S C 1.995 176.542 174.600 -0.089 0.000 1.022 581 S CA 1.408 59.548 58.200 -0.100 0.000 0.983 581 S CB -0.353 62.763 63.200 -0.141 0.000 0.803 581 S HN 0.471 nan 8.310 nan 0.000 0.480 582 Q N 2.030 121.788 119.800 -0.069 0.000 1.969 582 Q HA 0.041 4.356 4.340 -0.042 0.000 0.198 582 Q C 1.898 177.882 176.000 -0.027 0.000 0.978 582 Q CA 1.679 57.451 55.803 -0.051 0.000 0.830 582 Q CB -0.445 28.261 28.738 -0.052 0.000 0.896 582 Q HN 0.350 nan 8.270 nan 0.000 0.431 583 K N -0.143 120.243 120.400 -0.022 0.000 2.228 583 K HA -0.199 4.095 4.320 -0.042 0.000 0.205 583 K C 2.249 178.850 176.600 0.002 0.000 1.045 583 K CA 1.216 57.497 56.287 -0.010 0.000 0.931 583 K CB -0.107 32.384 32.500 -0.015 0.000 0.727 583 K HN 0.143 nan 8.250 nan 0.000 0.458 584 R N 0.329 120.828 120.500 -0.002 0.000 2.070 584 R HA -0.128 4.187 4.340 -0.042 0.000 0.232 584 R C 2.154 178.470 176.300 0.027 0.000 1.138 584 R CA 1.534 57.645 56.100 0.019 0.000 0.936 584 R CB -0.418 29.890 30.300 0.013 0.000 0.839 584 R HN 0.007 nan 8.270 nan 0.000 0.429 585 V N 1.712 121.625 119.914 -0.001 0.000 2.231 585 V HA -0.328 3.766 4.120 -0.042 0.000 0.250 585 V C 2.131 178.251 176.094 0.042 0.000 1.058 585 V CA 2.282 64.589 62.300 0.012 0.000 1.022 585 V CB -0.604 31.212 31.823 -0.011 0.000 0.640 585 V HN 0.474 nan 8.190 nan 0.000 0.445 586 E N 0.026 120.250 120.200 0.039 0.000 2.068 586 E HA -0.283 4.041 4.350 -0.042 0.000 0.207 586 E C 2.278 178.939 176.600 0.102 0.000 1.032 586 E CA 1.579 58.017 56.400 0.063 0.000 0.839 586 E CB -0.781 28.943 29.700 0.041 0.000 0.758 586 E HN 0.668 nan 8.360 nan 0.000 0.457 587 G N 1.941 110.790 108.800 0.082 0.000 2.599 587 G HA2 -0.373 3.561 3.960 -0.042 0.000 0.219 587 G HA3 -0.373 3.561 3.960 -0.042 0.000 0.219 587 G C 1.357 176.367 174.900 0.184 0.000 1.193 587 G CA 1.345 46.518 45.100 0.122 0.000 0.778 587 G HN 0.140 nan 8.290 nan 0.000 0.589 588 N N 0.951 119.725 118.700 0.123 0.000 2.061 588 N HA -0.150 4.565 4.740 -0.042 0.000 0.193 588 N C 2.030 177.592 175.510 0.086 0.000 1.030 588 N CA 1.601 54.711 53.050 0.101 0.000 0.856 588 N CB -0.681 37.854 38.487 0.080 0.000 1.023 588 N HN 0.515 nan 8.380 nan 0.000 0.424 589 N N -0.049 118.707 118.700 0.093 0.000 2.244 589 N HA -0.103 4.612 4.740 -0.042 0.000 0.183 589 N C 1.573 177.139 175.510 0.093 0.000 1.016 589 N CA 0.495 53.588 53.050 0.073 0.000 0.866 589 N CB -0.164 38.366 38.487 0.072 0.000 0.980 589 N HN 0.194 nan 8.380 nan 0.000 0.430 590 F N 1.199 121.151 119.950 0.004 0.000 2.113 590 F HA -0.095 4.403 4.527 -0.049 0.000 0.297 590 F C 1.909 177.705 175.800 -0.007 0.000 1.103 590 F CA 1.432 59.432 58.000 -0.001 0.000 1.248 590 F CB -0.472 38.529 39.000 0.002 0.000 0.999 590 F HN 0.044 nan 8.300 nan 0.000 0.475 591 D N 0.147 120.497 120.400 -0.084 0.000 2.133 591 D HA -0.186 4.429 4.640 -0.042 0.000 0.195 591 D C 2.373 178.520 176.300 -0.255 0.000 0.997 591 D CA 1.739 55.609 54.000 -0.216 0.000 0.840 591 D CB -0.196 40.614 40.800 0.017 0.000 0.947 591 D HN 0.339 nan 8.370 nan 0.000 0.452 592 S N 1.085 116.688 115.700 -0.161 0.000 2.392 592 S HA -0.249 4.196 4.470 -0.042 0.000 0.225 592 S C 1.948 176.423 174.600 -0.209 0.000 1.041 592 S CA 1.637 59.742 58.200 -0.158 0.000 1.100 592 S CB -0.343 62.795 63.200 -0.102 0.000 1.029 592 S HN 0.409 nan 8.310 nan 0.000 0.424 593 R N 1.868 122.250 120.500 -0.198 0.000 2.091 593 R HA -0.070 4.245 4.340 -0.042 0.000 0.238 593 R C 2.266 178.407 176.300 -0.265 0.000 1.136 593 R CA 1.559 57.545 56.100 -0.189 0.000 0.959 593 R CB -0.595 29.631 30.300 -0.123 0.000 0.856 593 R HN 0.308 nan 8.270 nan 0.000 0.437 594 K N 1.271 121.403 120.400 -0.448 0.000 2.127 594 K HA -0.294 4.001 4.320 -0.042 0.000 0.208 594 K C 2.257 178.702 176.600 -0.259 0.000 1.047 594 K CA 2.228 58.236 56.287 -0.465 0.000 0.927 594 K CB -0.067 31.968 32.500 -0.775 0.000 0.716 594 K HN 0.466 nan 8.250 nan 0.000 0.450 595 Q N 0.161 119.810 119.800 -0.251 0.000 2.187 595 Q HA -0.126 4.189 4.340 -0.042 0.000 0.199 595 Q C 2.152 177.953 176.000 -0.331 0.000 0.957 595 Q CA 0.595 56.259 55.803 -0.231 0.000 0.857 595 Q CB 0.017 28.605 28.738 -0.250 0.000 0.929 595 Q HN 0.244 nan 8.270 nan 0.000 0.453 596 L N 0.787 121.831 121.223 -0.298 0.000 1.970 596 L HA -0.185 4.129 4.340 -0.042 0.000 0.212 596 L C 2.242 179.038 176.870 -0.124 0.000 1.071 596 L CA 1.581 56.267 54.840 -0.255 0.000 0.751 596 L CB -1.015 40.939 42.059 -0.175 0.000 0.889 596 L HN 0.413 nan 8.230 nan 0.000 0.432 597 L N -0.488 120.678 121.223 -0.095 0.000 2.064 597 L HA -0.319 3.995 4.340 -0.042 0.000 0.216 597 L C 2.499 179.378 176.870 0.015 0.000 1.077 597 L CA 1.980 56.795 54.840 -0.041 0.000 0.766 597 L CB -0.708 41.308 42.059 -0.072 0.000 0.890 597 L HN 0.491 nan 8.230 nan 0.000 0.435 598 Q N -2.115 117.708 119.800 0.039 0.000 2.079 598 Q HA -0.210 4.105 4.340 -0.042 0.000 0.200 598 Q C 2.124 178.262 176.000 0.231 0.000 0.974 598 Q CA 1.751 57.630 55.803 0.128 0.000 0.840 598 Q CB -0.356 28.471 28.738 0.149 0.000 0.898 598 Q HN 0.519 nan 8.270 nan 0.000 0.430 599 Y N 0.753 120.992 120.300 -0.101 0.000 2.352 599 Y HA -0.152 4.375 4.550 -0.038 0.000 0.292 599 Y C 1.744 177.642 175.900 -0.003 0.000 1.136 599 Y CA 0.910 58.919 58.100 -0.151 0.000 1.227 599 Y CB -0.398 37.785 38.460 -0.462 0.000 0.991 599 Y HN 0.191 nan 8.280 nan 0.000 0.545 600 D N -0.600 119.886 120.400 0.145 0.000 2.183 600 D HA -0.117 4.498 4.640 -0.042 0.000 0.205 600 D C 1.594 177.947 176.300 0.089 0.000 0.962 600 D CA 0.984 55.039 54.000 0.091 0.000 0.849 600 D CB 0.079 40.906 40.800 0.046 0.000 0.978 600 D HN 0.046 nan 8.370 nan 0.000 0.488 601 D N -0.313 120.140 120.400 0.088 0.000 2.126 601 D HA -0.173 4.442 4.640 -0.042 0.000 0.190 601 D C 2.196 178.555 176.300 0.099 0.000 1.001 601 D CA 0.870 54.918 54.000 0.080 0.000 0.841 601 D CB -0.462 40.381 40.800 0.071 0.000 0.949 601 D HN 0.100 nan 8.370 nan 0.000 0.446 602 V N 0.539 120.535 119.914 0.136 0.000 2.282 602 V HA -0.254 3.841 4.120 -0.042 0.000 0.249 602 V C 2.428 178.520 176.094 -0.003 0.000 1.057 602 V CA 1.202 63.582 62.300 0.134 0.000 1.032 602 V CB -0.380 31.544 31.823 0.170 0.000 0.645 602 V HN 0.188 nan 8.190 nan 0.000 0.447 603 L N -0.414 120.824 121.223 0.025 0.000 2.083 603 L HA -0.099 4.216 4.340 -0.042 0.000 0.209 603 L C 2.505 179.378 176.870 0.006 0.000 1.083 603 L CA 1.672 56.512 54.840 0.001 0.000 0.752 603 L CB -1.307 40.779 42.059 0.045 0.000 0.899 603 L HN 0.280 nan 8.230 nan 0.000 0.433 604 R N -0.528 119.991 120.500 0.032 0.000 2.103 604 R HA -0.216 4.099 4.340 -0.042 0.000 0.242 604 R C 2.150 178.442 176.300 -0.013 0.000 1.142 604 R CA 1.771 57.889 56.100 0.031 0.000 0.960 604 R CB -0.033 30.297 30.300 0.051 0.000 0.858 604 R HN 0.529 nan 8.270 nan 0.000 0.439 605 Q N 0.027 119.822 119.800 -0.009 0.000 1.942 605 Q HA -0.207 4.108 4.340 -0.042 0.000 0.203 605 Q C 2.251 178.149 176.000 -0.171 0.000 0.987 605 Q CA 1.817 57.608 55.803 -0.020 0.000 0.844 605 Q CB -0.238 28.576 28.738 0.126 0.000 0.911 605 Q HN 0.458 nan 8.270 nan 0.000 0.423 606 Q N 0.559 120.112 119.800 -0.411 0.000 2.146 606 Q HA -0.311 4.004 4.340 -0.042 0.000 0.217 606 Q C 2.129 177.939 176.000 -0.317 0.000 1.023 606 Q CA 1.866 57.248 55.803 -0.702 0.000 0.903 606 Q CB -0.497 27.849 28.738 -0.653 0.000 0.990 606 Q HN 0.299 nan 8.270 nan 0.000 0.413 607 R N 0.507 120.889 120.500 -0.196 0.000 2.122 607 R HA -0.227 4.088 4.340 -0.042 0.000 0.236 607 R C 2.345 178.317 176.300 -0.546 0.000 1.129 607 R CA 1.854 57.591 56.100 -0.605 0.000 0.925 607 R CB -0.427 29.553 30.300 -0.533 0.000 0.850 607 R HN 0.384 nan 8.270 nan 0.000 0.431 608 E N 0.070 120.139 120.200 -0.218 0.000 2.113 608 E HA -0.277 4.048 4.350 -0.042 0.000 0.210 608 E C 1.830 178.400 176.600 -0.049 0.000 1.040 608 E CA 2.547 58.913 56.400 -0.055 0.000 0.847 608 E CB -0.016 29.678 29.700 -0.010 0.000 0.755 608 E HN 0.177 nan 8.360 nan 0.000 0.459 609 V N 1.080 120.948 119.914 -0.076 0.000 2.270 609 V HA -0.264 3.831 4.120 -0.042 0.000 0.245 609 V C 2.422 178.471 176.094 -0.076 0.000 1.043 609 V CA 1.761 64.055 62.300 -0.011 0.000 1.014 609 V CB -0.565 31.330 31.823 0.120 0.000 0.645 609 V HN 0.352 nan 8.190 nan 0.000 0.447 610 I N -0.894 119.526 120.570 -0.249 0.000 2.252 610 I HA -0.232 3.913 4.170 -0.042 0.000 0.245 610 I C 2.553 178.542 176.117 -0.212 0.000 1.102 610 I CA 1.924 62.974 61.300 -0.416 0.000 1.385 610 I CB -1.232 36.083 38.000 -1.142 0.000 1.064 610 I HN 0.356 nan 8.210 nan 0.000 0.414 611 Y N 1.510 121.641 120.300 -0.281 0.000 2.151 611 Y HA -0.285 4.240 4.550 -0.043 0.000 0.284 611 Y C 2.822 178.787 175.900 0.108 0.000 1.166 611 Y CA 0.959 59.012 58.100 -0.079 0.000 1.163 611 Y CB -0.109 38.368 38.460 0.029 0.000 0.974 611 Y HN 0.207 nan 8.280 nan 0.000 0.511 612 K N 0.199 120.730 120.400 0.218 0.000 1.967 612 K HA -0.244 4.051 4.320 -0.042 0.000 0.212 612 K C 2.062 178.719 176.600 0.095 0.000 1.044 612 K CA 1.211 57.600 56.287 0.171 0.000 0.942 612 K CB -0.478 32.074 32.500 0.087 0.000 0.726 612 K HN 0.284 nan 8.250 nan 0.000 0.440 613 Q N 0.761 120.565 119.800 0.007 0.000 2.165 613 Q HA -0.316 3.999 4.340 -0.042 0.000 0.215 613 Q C 2.184 178.145 176.000 -0.065 0.000 1.010 613 Q CA 2.517 58.294 55.803 -0.042 0.000 0.896 613 Q CB -0.193 28.489 28.738 -0.093 0.000 0.956 613 Q HN 0.333 nan 8.270 nan 0.000 0.413 614 R N -1.200 119.231 120.500 -0.115 0.000 2.066 614 R HA -0.120 4.194 4.340 -0.042 0.000 0.232 614 R C 1.998 178.154 176.300 -0.239 0.000 1.131 614 R CA 1.873 57.840 56.100 -0.220 0.000 0.955 614 R CB -0.876 29.223 30.300 -0.336 0.000 0.851 614 R HN 0.183 nan 8.270 nan 0.000 0.432 615 F N 1.411 121.318 119.950 -0.071 0.000 2.365 615 F HA -0.050 4.451 4.527 -0.043 0.000 0.300 615 F C 2.477 178.251 175.800 -0.044 0.000 1.090 615 F CA 1.035 58.998 58.000 -0.061 0.000 1.408 615 F CB -0.063 38.903 39.000 -0.057 0.000 1.060 615 F HN 0.139 nan 8.300 nan 0.000 0.534 616 E N 0.467 120.733 120.200 0.110 0.000 2.031 616 E HA -0.144 4.181 4.350 -0.042 0.000 0.193 616 E C 2.237 178.848 176.600 0.018 0.000 0.994 616 E CA 1.162 57.593 56.400 0.053 0.000 0.800 616 E CB -0.500 29.213 29.700 0.022 0.000 0.752 616 E HN 0.137 nan 8.360 nan 0.000 0.447 617 V N 1.108 121.009 119.914 -0.022 0.000 2.913 617 V HA -0.179 3.916 4.120 -0.042 0.000 0.260 617 V C 2.041 178.117 176.094 -0.029 0.000 1.098 617 V CA 0.677 62.955 62.300 -0.036 0.000 1.121 617 V CB -0.436 31.342 31.823 -0.075 0.000 0.714 617 V HN 0.268 nan 8.190 nan 0.000 0.487 618 I N 0.173 120.725 120.570 -0.031 0.000 2.264 618 I HA -0.093 4.052 4.170 -0.042 0.000 0.248 618 I C 0.839 176.970 176.117 0.023 0.000 1.111 618 I CA 1.373 62.651 61.300 -0.037 0.000 1.382 618 I CB -0.471 37.518 38.000 -0.019 0.000 1.060 618 I HN 0.374 nan 8.210 nan 0.000 0.418 619 D N -0.299 120.133 120.400 0.054 0.000 2.452 619 D HA 0.198 4.813 4.640 -0.042 0.000 0.226 619 D C -1.205 175.133 176.300 0.064 0.000 1.366 619 D CA -0.018 54.025 54.000 0.072 0.000 0.986 619 D CB 1.348 42.202 40.800 0.089 0.000 1.420 619 D HN -0.193 nan 8.370 nan 0.000 0.583 620 S N 2.763 118.504 115.700 0.069 0.000 2.472 620 S HA 0.360 4.805 4.470 -0.042 0.000 0.303 620 S C 0.981 175.622 174.600 0.068 0.000 1.099 620 S CA -0.691 57.547 58.200 0.063 0.000 1.077 620 S CB 2.402 65.637 63.200 0.059 0.000 1.031 620 S HN 0.362 nan 8.310 nan 0.000 0.487 621 E N 1.508 121.740 120.200 0.054 0.000 2.175 621 E HA 0.082 4.407 4.350 -0.042 0.000 0.195 621 E C -0.297 176.330 176.600 0.045 0.000 0.934 621 E CA 0.251 56.681 56.400 0.050 0.000 0.870 621 E CB 0.005 29.729 29.700 0.039 0.000 0.838 621 E HN 0.491 nan 8.360 nan 0.000 0.474 622 N N 2.393 121.116 118.700 0.038 0.000 2.475 622 N HA 0.061 4.776 4.740 -0.042 0.000 0.267 622 N C 0.845 176.379 175.510 0.041 0.000 1.169 622 N CA 0.322 53.391 53.050 0.032 0.000 0.947 622 N CB 1.072 39.572 38.487 0.023 0.000 1.061 622 N HN 0.171 nan 8.380 nan 0.000 0.466 623 L N 0.981 122.227 121.223 0.037 0.000 4.625 623 L HA -0.397 3.917 4.340 -0.042 0.000 0.428 623 L C 1.205 178.122 176.870 0.078 0.000 1.129 623 L CA 1.073 55.937 54.840 0.041 0.000 0.978 623 L CB -1.065 41.010 42.059 0.027 0.000 2.043 623 L HN 0.951 nan 8.230 nan 0.000 0.847 624 R N -0.337 120.218 120.500 0.091 0.000 3.728 624 R HA -0.277 4.038 4.340 -0.042 0.000 0.478 624 R C 0.479 176.904 176.300 0.208 0.000 0.932 624 R CA 1.730 57.916 56.100 0.143 0.000 1.317 624 R CB -1.881 28.482 30.300 0.105 0.000 1.987 624 R HN 0.435 nan 8.270 nan 0.000 0.509 625 E N 0.210 120.490 120.200 0.133 0.000 2.551 625 E HA -0.216 4.108 4.350 -0.042 0.000 0.251 625 E C 0.490 177.129 176.600 0.066 0.000 1.210 625 E CA 1.773 58.224 56.400 0.085 0.000 0.725 625 E CB -0.697 29.042 29.700 0.065 0.000 1.290 625 E HN 0.697 nan 8.360 nan 0.000 0.413 626 I N -2.189 118.428 120.570 0.078 0.000 4.046 626 I HA -0.057 4.088 4.170 -0.042 0.000 0.285 626 I C 1.970 177.900 176.117 -0.313 0.000 1.183 626 I CA 0.764 61.982 61.300 -0.138 0.000 1.337 626 I CB -0.622 37.227 38.000 -0.251 0.000 1.478 626 I HN 0.091 nan 8.210 nan 0.000 0.452 627 V N 1.853 121.594 119.914 -0.289 0.000 2.265 627 V HA -0.386 3.709 4.120 -0.042 0.000 0.259 627 V C 2.342 178.305 176.094 -0.218 0.000 1.084 627 V CA 2.393 64.541 62.300 -0.252 0.000 1.076 627 V CB -1.242 30.564 31.823 -0.029 0.000 0.680 627 V HN 0.445 nan 8.190 nan 0.000 0.452 628 E N 0.274 120.390 120.200 -0.141 0.000 2.035 628 E HA -0.300 4.025 4.350 -0.042 0.000 0.204 628 E C 2.145 178.676 176.600 -0.115 0.000 1.025 628 E CA 1.911 58.243 56.400 -0.114 0.000 0.835 628 E CB -0.370 29.286 29.700 -0.073 0.000 0.764 628 E HN 0.677 nan 8.360 nan 0.000 0.457 629 N N 0.304 118.935 118.700 -0.116 0.000 2.069 629 N HA -0.159 4.555 4.740 -0.042 0.000 0.191 629 N C 1.722 177.165 175.510 -0.111 0.000 1.031 629 N CA 1.135 54.122 53.050 -0.105 0.000 0.852 629 N CB -0.239 38.184 38.487 -0.107 0.000 1.018 629 N HN 0.132 nan 8.380 nan 0.000 0.423 630 M N 0.125 119.630 119.600 -0.157 0.000 2.159 630 M HA -0.042 4.413 4.480 -0.042 0.000 0.263 630 M C 1.828 178.095 176.300 -0.055 0.000 1.063 630 M CA 1.065 56.289 55.300 -0.128 0.000 1.110 630 M CB -0.326 32.129 32.600 -0.240 0.000 1.374 630 M HN 0.151 nan 8.290 nan 0.000 0.411 631 I N -0.375 120.139 120.570 -0.095 0.000 2.252 631 I HA -0.330 3.815 4.170 -0.042 0.000 0.245 631 I C 2.222 178.292 176.117 -0.078 0.000 1.102 631 I CA 1.232 62.478 61.300 -0.090 0.000 1.385 631 I CB -0.347 37.556 38.000 -0.163 0.000 1.064 631 I HN 0.284 nan 8.210 nan 0.000 0.414 632 K N 0.657 121.007 120.400 -0.083 0.000 1.985 632 K HA -0.142 4.153 4.320 -0.042 0.000 0.210 632 K C 2.285 178.844 176.600 -0.068 0.000 1.047 632 K CA 1.820 58.062 56.287 -0.075 0.000 0.932 632 K CB -0.220 32.238 32.500 -0.070 0.000 0.716 632 K HN 0.086 nan 8.250 nan 0.000 0.439 633 S N 0.590 116.256 115.700 -0.058 0.000 2.381 633 S HA -0.233 4.212 4.470 -0.042 0.000 0.230 633 S C 2.086 176.669 174.600 -0.029 0.000 1.052 633 S CA 1.845 60.021 58.200 -0.039 0.000 1.068 633 S CB -0.393 62.790 63.200 -0.028 0.000 0.918 633 S HN 0.256 nan 8.310 nan 0.000 0.448 634 S N 0.906 116.590 115.700 -0.028 0.000 2.368 634 S HA -0.015 4.430 4.470 -0.042 0.000 0.225 634 S C 1.742 176.250 174.600 -0.154 0.000 1.030 634 S CA 0.881 59.047 58.200 -0.056 0.000 0.999 634 S CB -0.389 62.794 63.200 -0.029 0.000 0.844 634 S HN 0.319 nan 8.310 nan 0.000 0.459 635 L N 1.972 123.115 121.223 -0.134 0.000 2.191 635 L HA -0.049 4.265 4.340 -0.042 0.000 0.212 635 L C 1.997 178.762 176.870 -0.175 0.000 1.103 635 L CA 1.574 56.318 54.840 -0.161 0.000 0.769 635 L CB -0.602 41.385 42.059 -0.120 0.000 0.908 635 L HN 0.089 nan 8.230 nan 0.000 0.438 636 E N -0.434 119.689 120.200 -0.129 0.000 2.015 636 E HA -0.146 4.178 4.350 -0.042 0.000 0.191 636 E C 2.279 178.800 176.600 -0.133 0.000 0.991 636 E CA 0.691 57.023 56.400 -0.114 0.000 0.802 636 E CB -0.406 29.251 29.700 -0.071 0.000 0.759 636 E HN 0.312 nan 8.360 nan 0.000 0.447 637 R N 0.731 121.178 120.500 -0.089 0.000 2.148 637 R HA -0.159 4.156 4.340 -0.042 0.000 0.230 637 R C 2.298 178.490 176.300 -0.179 0.000 1.120 637 R CA 1.678 57.754 56.100 -0.041 0.000 0.902 637 R CB -1.334 29.044 30.300 0.130 0.000 0.839 637 R HN 0.262 nan 8.270 nan 0.000 0.431 638 A N 1.246 123.858 122.820 -0.346 0.000 1.896 638 A HA -0.243 4.052 4.320 -0.042 0.000 0.220 638 A C 2.450 179.517 177.584 -0.863 0.000 1.206 638 A CA 2.027 53.735 52.037 -0.548 0.000 0.647 638 A CB -0.871 17.813 19.000 -0.527 0.000 0.828 638 A HN 0.385 nan 8.150 nan 0.000 0.455 639 I N -0.670 119.536 120.570 -0.606 0.000 2.068 639 I HA -0.383 3.762 4.170 -0.042 0.000 0.238 639 I C 2.982 178.831 176.117 -0.446 0.000 1.046 639 I CA 1.564 62.548 61.300 -0.528 0.000 1.306 639 I CB -0.357 37.482 38.000 -0.268 0.000 1.023 639 I HN 0.418 nan 8.210 nan 0.000 0.399 640 A N 0.323 122.973 122.820 -0.284 0.000 1.948 640 A HA -0.262 4.033 4.320 -0.042 0.000 0.220 640 A C 2.414 179.858 177.584 -0.234 0.000 1.177 640 A CA 2.060 53.982 52.037 -0.193 0.000 0.636 640 A CB -0.958 17.974 19.000 -0.112 0.000 0.815 640 A HN 0.568 nan 8.150 nan 0.000 0.449 641 A N -1.396 121.252 122.820 -0.286 0.000 2.019 641 A HA -0.053 4.242 4.320 -0.042 0.000 0.219 641 A C 2.022 179.574 177.584 -0.054 0.000 1.164 641 A CA 1.391 53.307 52.037 -0.201 0.000 0.644 641 A CB -0.707 18.258 19.000 -0.058 0.000 0.805 641 A HN 0.755 nan 8.150 nan 0.000 0.449 642 Y N -0.710 119.477 120.300 -0.189 0.000 2.347 642 Y HA -0.081 4.444 4.550 -0.042 0.000 0.294 642 Y C 2.768 178.508 175.900 -0.267 0.000 1.117 642 Y CA 0.418 58.381 58.100 -0.229 0.000 1.184 642 Y CB -0.728 37.614 38.460 -0.197 0.000 1.047 642 Y HN 0.217 nan 8.280 nan 0.000 0.546 643 T N 1.286 115.783 114.554 -0.095 0.000 2.718 643 T HA -0.203 4.122 4.350 -0.042 0.000 0.266 643 T C -0.901 173.714 174.700 -0.142 0.000 1.033 643 T CA 1.847 63.877 62.100 -0.117 0.000 1.151 643 T CB -1.454 67.357 68.868 -0.094 0.000 0.853 643 T HN 0.300 nan 8.240 nan 0.000 0.466 644 P HA 0.024 nan 4.420 nan 0.000 0.213 644 P C 1.438 178.599 177.300 -0.231 0.000 1.170 644 P CA 0.803 63.829 63.100 -0.123 0.000 0.889 644 P CB 0.025 31.589 31.700 -0.227 0.000 0.782 645 R N 0.438 120.769 120.500 -0.281 0.000 2.357 645 R HA -0.041 4.273 4.340 -0.042 0.000 0.202 645 R C 0.339 175.973 176.300 -1.109 0.000 1.047 645 R CA 0.650 56.502 56.100 -0.414 0.000 1.034 645 R CB -1.277 28.885 30.300 -0.231 0.000 0.875 645 R HN 0.495 nan 8.270 nan 0.000 0.473 646 E N -0.078 119.490 120.200 -1.053 0.000 3.037 646 E HA 0.278 4.603 4.350 -0.042 0.000 0.220 646 E C -0.624 175.400 176.600 -0.959 0.000 1.142 646 E CA -0.577 55.042 56.400 -1.302 0.000 0.888 646 E CB 0.768 30.166 29.700 -0.503 0.000 1.329 646 E HN -0.274 nan 8.360 nan 0.000 0.409 647 E N 1.186 120.351 120.200 -1.725 0.000 2.322 647 E HA 0.300 4.624 4.350 -0.042 0.000 0.257 647 E C 0.637 177.692 176.600 0.760 0.000 1.155 647 E CA -0.756 55.629 56.400 -0.026 0.000 0.936 647 E CB 0.742 30.714 29.700 0.453 0.000 1.130 647 E HN 0.510 nan 8.360 nan 0.000 0.465 648 L N 0.479 121.931 121.223 0.382 0.000 2.191 648 L HA 0.020 4.335 4.340 -0.042 0.000 0.212 648 L C -1.044 175.942 176.870 0.194 0.000 1.103 648 L CA 0.666 55.650 54.840 0.240 0.000 0.769 648 L CB -1.169 40.970 42.059 0.133 0.000 0.908 648 L HN 0.286 nan 8.230 nan 0.000 0.438 649 P HA 0.093 nan 4.420 nan 0.000 0.291 649 P C 0.298 177.286 177.300 -0.520 0.000 1.340 649 P CA -0.223 62.827 63.100 -0.084 0.000 0.799 649 P CB 1.327 32.983 31.700 -0.073 0.000 0.917 650 E N 2.929 122.867 120.200 -0.438 0.000 2.333 650 E HA -0.235 4.090 4.350 -0.042 0.000 0.200 650 E C 0.360 176.073 176.600 -1.477 0.000 1.010 650 E CA 1.255 57.239 56.400 -0.695 0.000 0.841 650 E CB -0.313 29.242 29.700 -0.241 0.000 0.757 650 E HN 0.428 nan 8.360 nan 0.000 0.508 651 E N -0.036 119.433 120.200 -1.218 0.000 2.197 651 E HA 0.336 4.661 4.350 -0.042 0.000 0.281 651 E C -1.439 174.583 176.600 -0.963 0.000 0.995 651 E CA -0.480 55.309 56.400 -1.019 0.000 0.808 651 E CB 0.288 29.736 29.700 -0.419 0.000 1.093 651 E HN 0.235 nan 8.360 nan 0.000 0.394 652 W N 3.152 124.413 121.300 -0.065 0.000 2.706 652 W HA 0.407 5.042 4.660 -0.042 0.000 0.346 652 W C -0.124 176.418 176.519 0.038 0.000 1.071 652 W CA -1.429 55.904 57.345 -0.020 0.000 1.206 652 W CB 1.186 30.609 29.460 -0.061 0.000 1.413 652 W HN 0.347 nan 8.180 nan 0.000 0.542 653 K N 2.137 122.743 120.400 0.344 0.000 2.502 653 K HA 0.222 4.517 4.320 -0.042 0.000 0.244 653 K C 0.442 177.168 176.600 0.209 0.000 1.249 653 K CA 0.101 56.526 56.287 0.230 0.000 1.193 653 K CB -0.540 32.071 32.500 0.186 0.000 1.674 653 K HN 0.577 nan 8.250 nan 0.000 0.302 654 L N 0.482 121.837 121.223 0.221 0.000 1.970 654 L HA -0.232 4.083 4.340 -0.042 0.000 0.212 654 L C 1.506 178.450 176.870 0.123 0.000 1.071 654 L CA 1.243 56.175 54.840 0.154 0.000 0.751 654 L CB -0.405 41.754 42.059 0.166 0.000 0.889 654 L HN 0.479 nan 8.230 nan 0.000 0.432 655 D N 0.259 120.740 120.400 0.135 0.000 2.585 655 D HA -0.266 4.349 4.640 -0.042 0.000 0.190 655 D C 2.043 178.425 176.300 0.136 0.000 1.057 655 D CA 1.762 55.834 54.000 0.119 0.000 0.900 655 D CB -0.535 40.329 40.800 0.107 0.000 0.900 655 D HN 0.471 nan 8.370 nan 0.000 0.463 656 G N -0.076 108.814 108.800 0.150 0.000 2.442 656 G HA2 -0.233 3.702 3.960 -0.042 0.000 0.219 656 G HA3 -0.233 3.702 3.960 -0.042 0.000 0.219 656 G C 1.559 176.558 174.900 0.165 0.000 1.141 656 G CA 0.866 46.082 45.100 0.194 0.000 0.763 656 G HN 0.295 nan 8.290 nan 0.000 0.554 657 L N 0.820 122.101 121.223 0.098 0.000 2.023 657 L HA 0.047 4.362 4.340 -0.042 0.000 0.205 657 L C 3.041 179.946 176.870 0.058 0.000 1.073 657 L CA 1.355 56.224 54.840 0.048 0.000 0.745 657 L CB -0.779 41.271 42.059 -0.015 0.000 0.900 657 L HN 0.092 nan 8.230 nan 0.000 0.435 658 V N 0.091 120.041 119.914 0.061 0.000 2.278 658 V HA -0.371 3.723 4.120 -0.042 0.000 0.251 658 V C 2.400 178.552 176.094 0.097 0.000 1.062 658 V CA 2.083 64.423 62.300 0.067 0.000 1.038 658 V CB -0.939 30.927 31.823 0.072 0.000 0.646 658 V HN 0.471 nan 8.190 nan 0.000 0.447 659 D N 0.002 120.493 120.400 0.152 0.000 2.108 659 D HA -0.165 4.449 4.640 -0.042 0.000 0.190 659 D C 2.128 178.519 176.300 0.152 0.000 0.995 659 D CA 1.629 55.793 54.000 0.274 0.000 0.834 659 D CB -0.400 40.669 40.800 0.449 0.000 0.967 659 D HN 0.339 nan 8.370 nan 0.000 0.446 660 L N 0.459 121.643 121.223 -0.063 0.000 1.978 660 L HA -0.241 4.074 4.340 -0.042 0.000 0.218 660 L C 2.557 179.289 176.870 -0.230 0.000 1.075 660 L CA 0.816 55.416 54.840 -0.400 0.000 0.767 660 L CB -0.486 41.423 42.059 -0.251 0.000 0.890 660 L HN 0.172 nan 8.230 nan 0.000 0.434 661 I N 0.024 120.589 120.570 -0.009 0.000 2.113 661 I HA -0.348 3.797 4.170 -0.042 0.000 0.242 661 I C 2.180 178.322 176.117 0.042 0.000 1.064 661 I CA 1.708 63.099 61.300 0.151 0.000 1.320 661 I CB -1.545 36.585 38.000 0.217 0.000 1.028 661 I HN 0.420 nan 8.210 nan 0.000 0.406 662 N N 0.640 119.358 118.700 0.030 0.000 2.417 662 N HA -0.118 4.597 4.740 -0.042 0.000 0.187 662 N C 0.941 176.432 175.510 -0.031 0.000 1.027 662 N CA 1.394 54.459 53.050 0.024 0.000 0.891 662 N CB -0.219 38.306 38.487 0.065 0.000 0.956 662 N HN 0.483 nan 8.380 nan 0.000 0.442 663 T N -1.884 112.602 114.554 -0.114 0.000 3.339 663 T HA 0.271 4.595 4.350 -0.042 0.000 0.292 663 T C 0.740 175.257 174.700 -0.304 0.000 1.012 663 T CA -0.250 61.759 62.100 -0.152 0.000 0.937 663 T CB 0.612 69.465 68.868 -0.024 0.000 1.164 663 T HN 0.066 nan 8.240 nan 0.000 0.509 664 T N -1.152 113.146 114.554 -0.426 0.000 3.123 664 T HA 0.260 4.584 4.350 -0.042 0.000 0.259 664 T C 0.573 174.868 174.700 -0.676 0.000 0.871 664 T CA -0.148 61.549 62.100 -0.672 0.000 0.857 664 T CB 0.311 68.559 68.868 -1.032 0.000 1.267 664 T HN 0.401 nan 8.240 nan 0.000 0.556 665 Y N 0.423 120.667 120.300 -0.094 0.000 3.266 665 Y HA 0.536 5.061 4.550 -0.042 0.000 0.189 665 Y C 0.898 176.758 175.900 -0.067 0.000 0.895 665 Y CA -0.961 57.100 58.100 -0.065 0.000 1.706 665 Y CB 0.274 38.719 38.460 -0.025 0.000 1.449 665 Y HN -0.075 nan 8.280 nan 0.000 0.391 666 L N 1.447 122.756 121.223 0.144 0.000 2.600 666 L HA 0.232 4.547 4.340 -0.042 0.000 0.221 666 L C -0.583 176.283 176.870 -0.008 0.000 1.197 666 L CA -0.625 54.250 54.840 0.058 0.000 0.838 666 L CB 0.125 42.225 42.059 0.069 0.000 1.474 666 L HN 0.279 nan 8.230 nan 0.000 0.514 667 D N -1.327 119.068 120.400 -0.008 0.000 2.423 667 D HA 0.242 4.857 4.640 -0.042 0.000 0.235 667 D C -0.821 175.478 176.300 -0.001 0.000 1.011 667 D CA -0.753 53.231 54.000 -0.028 0.000 0.963 667 D CB 1.043 41.826 40.800 -0.029 0.000 1.349 667 D HN 0.231 nan 8.370 nan 0.000 0.508 668 E N -0.050 120.151 120.200 0.001 0.000 2.604 668 E HA 0.167 4.492 4.350 -0.042 0.000 0.267 668 E C 1.333 177.946 176.600 0.022 0.000 0.970 668 E CA 0.909 57.321 56.400 0.020 0.000 0.956 668 E CB 0.051 29.763 29.700 0.020 0.000 0.939 668 E HN 0.834 nan 8.360 nan 0.000 0.465 669 G N 2.007 110.825 108.800 0.030 0.000 2.186 669 G HA2 -0.390 3.545 3.960 -0.042 0.000 0.266 669 G HA3 -0.390 3.545 3.960 -0.042 0.000 0.266 669 G C 1.097 176.013 174.900 0.026 0.000 0.982 669 G CA 1.261 46.378 45.100 0.028 0.000 0.670 669 G HN 0.674 nan 8.290 nan 0.000 0.533 670 A N -1.225 121.612 122.820 0.028 0.000 1.873 670 A HA 0.492 4.786 4.320 -0.042 0.000 0.215 670 A C 1.226 178.829 177.584 0.031 0.000 1.186 670 A CA 1.740 53.794 52.037 0.028 0.000 0.616 670 A CB 0.025 19.044 19.000 0.030 0.000 0.823 670 A HN 1.188 nan 8.150 nan 0.000 0.442 671 L N 0.168 121.414 121.223 0.038 0.000 2.334 671 L HA 0.497 4.812 4.340 -0.042 0.000 0.276 671 L C -0.729 176.165 176.870 0.040 0.000 1.014 671 L CA -0.481 54.382 54.840 0.037 0.000 0.815 671 L CB 1.750 43.833 42.059 0.039 0.000 1.268 671 L HN 0.408 nan 8.230 nan 0.000 0.428 672 E N 2.343 122.565 120.200 0.037 0.000 2.244 672 E HA 0.270 4.594 4.350 -0.042 0.000 0.266 672 E C -0.143 176.489 176.600 0.054 0.000 0.914 672 E CA -0.595 55.831 56.400 0.043 0.000 0.794 672 E CB 1.727 31.447 29.700 0.034 0.000 1.210 672 E HN 0.564 nan 8.360 nan 0.000 0.414 673 K N 0.357 120.800 120.400 0.072 0.000 2.211 673 K HA -0.146 4.149 4.320 -0.042 0.000 0.203 673 K C 1.925 178.603 176.600 0.131 0.000 1.050 673 K CA 1.599 57.955 56.287 0.114 0.000 0.945 673 K CB -0.069 32.523 32.500 0.153 0.000 0.732 673 K HN 0.318 nan 8.250 nan 0.000 0.451 674 S N 1.425 117.169 115.700 0.074 0.000 2.393 674 S HA -0.268 4.177 4.470 -0.042 0.000 0.234 674 S C 1.489 176.132 174.600 0.072 0.000 1.064 674 S CA 2.139 60.370 58.200 0.051 0.000 1.088 674 S CB -0.631 62.582 63.200 0.021 0.000 0.939 674 S HN 0.501 nan 8.310 nan 0.000 0.448 675 D N -0.034 120.401 120.400 0.058 0.000 2.269 675 D HA 0.063 4.677 4.640 -0.042 0.000 0.208 675 D C 1.620 177.950 176.300 0.050 0.000 0.963 675 D CA 0.885 54.912 54.000 0.046 0.000 0.864 675 D CB -0.020 40.797 40.800 0.028 0.000 0.936 675 D HN 0.500 nan 8.370 nan 0.000 0.505 676 I N -0.630 119.982 120.570 0.071 0.000 4.327 676 I HA 0.077 4.222 4.170 -0.042 0.000 0.331 676 I C -0.146 176.018 176.117 0.079 0.000 1.348 676 I CA -0.318 61.004 61.300 0.036 0.000 1.152 676 I CB 0.769 38.752 38.000 -0.029 0.000 1.151 676 I HN -0.256 nan 8.210 nan 0.000 0.410 677 F N 2.155 122.115 119.950 0.017 0.000 2.541 677 F HA 0.363 4.865 4.527 -0.042 0.000 0.378 677 F C 1.342 177.163 175.800 0.036 0.000 1.068 677 F CA 1.079 59.102 58.000 0.038 0.000 1.199 677 F CB 0.393 39.409 39.000 0.027 0.000 1.091 677 F HN 0.185 nan 8.300 nan 0.000 0.555 678 G N 3.749 112.304 108.800 -0.409 0.000 2.148 678 G HA2 -0.298 3.637 3.960 -0.042 0.000 0.254 678 G HA3 -0.298 3.637 3.960 -0.042 0.000 0.254 678 G C 0.242 175.112 174.900 -0.050 0.000 0.981 678 G CA 0.062 45.017 45.100 -0.242 0.000 0.670 678 G HN 0.650 nan 8.290 nan 0.000 0.528 679 K N 0.708 121.091 120.400 -0.029 0.000 2.090 679 K HA 0.486 4.781 4.320 -0.042 0.000 0.250 679 K C 0.696 177.294 176.600 -0.004 0.000 1.004 679 K CA -0.353 55.929 56.287 -0.007 0.000 0.919 679 K CB 0.712 33.206 32.500 -0.011 0.000 1.045 679 K HN 0.581 nan 8.250 nan 0.000 0.471 680 E N 1.650 121.855 120.200 0.008 0.000 2.277 680 E HA 0.119 4.444 4.350 -0.042 0.000 0.274 680 E C -2.076 174.530 176.600 0.009 0.000 1.022 680 E CA -2.095 54.319 56.400 0.024 0.000 0.853 680 E CB 0.515 30.235 29.700 0.032 0.000 1.086 680 E HN 0.206 nan 8.360 nan 0.000 0.397 681 P HA -0.312 nan 4.420 nan 0.000 0.225 681 P C 0.550 177.901 177.300 0.084 0.000 1.154 681 P CA 1.658 64.782 63.100 0.041 0.000 0.933 681 P CB 0.049 31.779 31.700 0.050 0.000 0.790 682 D N -0.263 120.169 120.400 0.053 0.000 2.087 682 D HA -0.177 4.438 4.640 -0.042 0.000 0.192 682 D C 1.989 178.314 176.300 0.041 0.000 0.993 682 D CA 1.476 55.504 54.000 0.046 0.000 0.828 682 D CB -0.656 40.157 40.800 0.022 0.000 0.968 682 D HN 0.495 nan 8.370 nan 0.000 0.448 683 E N 0.471 120.684 120.200 0.020 0.000 2.268 683 E HA -0.122 4.203 4.350 -0.042 0.000 0.195 683 E C 2.153 178.752 176.600 -0.003 0.000 0.995 683 E CA 0.522 56.928 56.400 0.010 0.000 0.836 683 E CB -0.325 29.379 29.700 0.006 0.000 0.763 683 E HN 0.271 nan 8.360 nan 0.000 0.491 684 M N 0.421 120.006 119.600 -0.025 0.000 2.132 684 M HA -0.105 4.350 4.480 -0.042 0.000 0.263 684 M C 2.336 178.617 176.300 -0.033 0.000 1.065 684 M CA 1.045 56.278 55.300 -0.112 0.000 1.122 684 M CB -0.152 32.285 32.600 -0.271 0.000 1.365 684 M HN 0.203 nan 8.290 nan 0.000 0.411 685 L N 0.388 121.713 121.223 0.170 0.000 2.093 685 L HA -0.147 4.168 4.340 -0.042 0.000 0.208 685 L C 2.035 178.975 176.870 0.117 0.000 1.085 685 L CA 1.939 56.986 54.840 0.345 0.000 0.755 685 L CB -0.526 41.669 42.059 0.226 0.000 0.904 685 L HN 0.122 nan 8.230 nan 0.000 0.435 686 E N -0.564 119.668 120.200 0.055 0.000 2.046 686 E HA -0.160 4.165 4.350 -0.042 0.000 0.190 686 E C 2.100 178.707 176.600 0.012 0.000 0.982 686 E CA 0.999 57.410 56.400 0.019 0.000 0.800 686 E CB -0.568 29.137 29.700 0.009 0.000 0.756 686 E HN 0.389 nan 8.360 nan 0.000 0.449 687 L N 0.666 121.895 121.223 0.010 0.000 2.043 687 L HA -0.208 4.107 4.340 -0.042 0.000 0.212 687 L C 1.997 178.872 176.870 0.008 0.000 1.075 687 L CA 1.828 56.670 54.840 0.004 0.000 0.752 687 L CB -0.648 41.407 42.059 -0.006 0.000 0.891 687 L HN 0.232 nan 8.230 nan 0.000 0.432 688 I N -0.918 119.662 120.570 0.017 0.000 2.233 688 I HA -0.306 3.839 4.170 -0.042 0.000 0.243 688 I C 2.577 178.698 176.117 0.006 0.000 1.093 688 I CA 0.877 62.193 61.300 0.027 0.000 1.380 688 I CB -0.234 37.811 38.000 0.074 0.000 1.067 688 I HN 0.279 nan 8.210 nan 0.000 0.413 689 M N 1.319 120.918 119.600 -0.002 0.000 2.082 689 M HA -0.268 4.187 4.480 -0.042 0.000 0.258 689 M C 1.684 177.975 176.300 -0.015 0.000 1.069 689 M CA 1.962 57.243 55.300 -0.031 0.000 1.102 689 M CB -0.635 31.944 32.600 -0.035 0.000 1.336 689 M HN 0.141 nan 8.290 nan 0.000 0.404 690 D N -0.388 120.009 120.400 -0.005 0.000 2.127 690 D HA -0.216 4.399 4.640 -0.042 0.000 0.190 690 D C 2.111 178.418 176.300 0.012 0.000 1.000 690 D CA 1.665 55.665 54.000 0.000 0.000 0.839 690 D CB -0.498 40.303 40.800 0.002 0.000 0.955 690 D HN 0.439 nan 8.370 nan 0.000 0.446 691 R N 0.141 120.651 120.500 0.017 0.000 2.091 691 R HA -0.087 4.228 4.340 -0.042 0.000 0.238 691 R C 2.661 178.985 176.300 0.039 0.000 1.136 691 R CA 0.686 56.802 56.100 0.026 0.000 0.959 691 R CB -0.440 29.876 30.300 0.028 0.000 0.856 691 R HN 0.286 nan 8.270 nan 0.000 0.437 692 I N 0.791 121.384 120.570 0.038 0.000 2.113 692 I HA -0.307 3.838 4.170 -0.042 0.000 0.238 692 I C 2.498 178.680 176.117 0.108 0.000 1.070 692 I CA 1.384 62.721 61.300 0.063 0.000 1.332 692 I CB -0.267 37.746 38.000 0.022 0.000 1.044 692 I HN 0.125 nan 8.210 nan 0.000 0.402 693 I N 0.301 120.914 120.570 0.072 0.000 2.151 693 I HA -0.343 3.801 4.170 -0.042 0.000 0.243 693 I C 2.578 178.749 176.117 0.091 0.000 1.080 693 I CA 1.835 63.177 61.300 0.070 0.000 1.339 693 I CB -0.649 37.342 38.000 -0.015 0.000 1.039 693 I HN 0.325 nan 8.210 nan 0.000 0.409 694 T N 0.501 115.089 114.554 0.055 0.000 2.635 694 T HA -0.284 4.041 4.350 -0.042 0.000 0.267 694 T C 1.982 176.721 174.700 0.064 0.000 1.040 694 T CA 1.691 63.818 62.100 0.046 0.000 1.156 694 T CB -0.246 68.640 68.868 0.029 0.000 0.863 694 T HN 0.289 nan 8.240 nan 0.000 0.430 695 K N -0.321 120.121 120.400 0.070 0.000 2.009 695 K HA -0.163 4.132 4.320 -0.042 0.000 0.210 695 K C 2.138 178.785 176.600 0.079 0.000 1.049 695 K CA 1.590 57.911 56.287 0.057 0.000 0.929 695 K CB -0.460 32.068 32.500 0.046 0.000 0.714 695 K HN 0.456 nan 8.250 nan 0.000 0.440 696 Y N 1.952 122.252 120.300 -0.001 0.000 2.062 696 Y HA -0.396 4.129 4.550 -0.042 0.000 0.276 696 Y C 2.034 177.917 175.900 -0.029 0.000 1.189 696 Y CA 2.147 60.249 58.100 0.004 0.000 1.130 696 Y CB -0.188 38.285 38.460 0.021 0.000 0.959 696 Y HN 0.303 nan 8.280 nan 0.000 0.499 697 N N 0.354 119.201 118.700 0.246 0.000 2.104 697 N HA -0.186 4.528 4.740 -0.042 0.000 0.190 697 N C 1.652 177.176 175.510 0.023 0.000 1.024 697 N CA 1.820 54.938 53.050 0.114 0.000 0.853 697 N CB -0.553 37.968 38.487 0.056 0.000 1.008 697 N HN 0.532 nan 8.380 nan 0.000 0.424 698 E N 0.820 121.027 120.200 0.012 0.000 2.058 698 E HA -0.140 4.185 4.350 -0.042 0.000 0.194 698 E C 1.828 178.369 176.600 -0.098 0.000 0.997 698 E CA 1.055 57.439 56.400 -0.027 0.000 0.801 698 E CB 0.022 29.717 29.700 -0.009 0.000 0.746 698 E HN 0.342 nan 8.360 nan 0.000 0.450 699 K N 0.631 120.947 120.400 -0.139 0.000 2.032 699 K HA -0.220 4.075 4.320 -0.042 0.000 0.209 699 K C 2.150 178.371 176.600 -0.632 0.000 1.048 699 K CA 1.296 57.379 56.287 -0.341 0.000 0.927 699 K CB -0.139 32.164 32.500 -0.328 0.000 0.712 699 K HN 0.142 nan 8.250 nan 0.000 0.441 700 E N 0.707 120.674 120.200 -0.389 0.000 2.048 700 E HA -0.282 4.043 4.350 -0.042 0.000 0.202 700 E C 2.082 178.498 176.600 -0.307 0.000 1.021 700 E CA 1.710 57.904 56.400 -0.343 0.000 0.825 700 E CB -0.039 29.602 29.700 -0.098 0.000 0.756 700 E HN 0.302 nan 8.360 nan 0.000 0.454 701 E N 0.267 120.363 120.200 -0.174 0.000 2.114 701 E HA -0.306 4.018 4.350 -0.042 0.000 0.199 701 E C 2.044 178.594 176.600 -0.084 0.000 1.008 701 E CA 1.644 57.984 56.400 -0.099 0.000 0.810 701 E CB 0.007 29.673 29.700 -0.057 0.000 0.739 701 E HN 0.338 nan 8.360 nan 0.000 0.456 702 Q N -0.825 118.914 119.800 -0.102 0.000 2.096 702 Q HA -0.019 4.296 4.340 -0.042 0.000 0.197 702 Q C 0.080 176.141 176.000 0.101 0.000 0.964 702 Q CA 1.035 56.848 55.803 0.017 0.000 0.838 702 Q CB 0.207 28.992 28.738 0.078 0.000 0.906 702 Q HN 0.307 nan 8.270 nan 0.000 0.444 703 F N -2.749 117.188 119.950 -0.021 0.000 2.659 703 F HA 0.694 5.196 4.527 -0.042 0.000 0.342 703 F C 0.145 175.918 175.800 -0.044 0.000 1.168 703 F CA -1.027 56.956 58.000 -0.028 0.000 1.003 703 F CB 1.142 40.125 39.000 -0.028 0.000 1.267 703 F HN -0.115 nan 8.300 nan 0.000 0.463 704 G N 2.962 111.740 108.800 -0.037 0.000 4.213 704 G HA2 0.139 4.074 3.960 -0.042 0.000 0.274 704 G HA3 0.139 4.074 3.960 -0.042 0.000 0.274 704 G C 0.392 175.248 174.900 -0.074 0.000 1.033 704 G CA -0.478 44.544 45.100 -0.130 0.000 0.822 704 G HN 0.558 nan 8.290 nan 0.000 0.432 705 K N 0.235 120.624 120.400 -0.019 0.000 2.358 705 K HA 0.206 4.501 4.320 -0.042 0.000 0.200 705 K C 1.263 177.848 176.600 -0.025 0.000 1.030 705 K CA 0.063 56.331 56.287 -0.031 0.000 1.097 705 K CB 0.772 33.265 32.500 -0.010 0.000 0.862 705 K HN 0.245 nan 8.250 nan 0.000 0.534 706 E N 0.775 120.981 120.200 0.010 0.000 2.307 706 E HA -0.083 4.242 4.350 -0.042 0.000 0.195 706 E C 1.690 178.308 176.600 0.029 0.000 0.975 706 E CA 0.190 56.619 56.400 0.047 0.000 0.878 706 E CB 0.320 30.086 29.700 0.111 0.000 0.845 706 E HN 0.148 nan 8.360 nan 0.000 0.488 707 Q N 1.110 120.886 119.800 -0.040 0.000 2.197 707 Q HA -0.176 4.139 4.340 -0.042 0.000 0.207 707 Q C 2.059 177.712 176.000 -0.578 0.000 0.984 707 Q CA 1.486 57.153 55.803 -0.228 0.000 0.869 707 Q CB -0.094 28.370 28.738 -0.457 0.000 0.906 707 Q HN 0.250 nan 8.270 nan 0.000 0.426 708 M N -0.663 118.616 119.600 -0.535 0.000 2.296 708 M HA -0.169 4.286 4.480 -0.042 0.000 0.265 708 M C 1.534 177.868 176.300 0.056 0.000 1.064 708 M CA 1.372 56.516 55.300 -0.261 0.000 1.109 708 M CB 0.097 32.659 32.600 -0.064 0.000 1.396 708 M HN 0.132 nan 8.290 nan 0.000 0.430 709 R N -0.257 120.252 120.500 0.015 0.000 2.073 709 R HA -0.116 4.199 4.340 -0.042 0.000 0.229 709 R C 2.155 178.520 176.300 0.108 0.000 1.120 709 R CA 1.498 57.639 56.100 0.068 0.000 0.967 709 R CB -0.466 29.861 30.300 0.046 0.000 0.862 709 R HN 0.513 nan 8.270 nan 0.000 0.436 710 E N 0.511 120.784 120.200 0.122 0.000 2.216 710 E HA -0.085 4.239 4.350 -0.042 0.000 0.192 710 E C 1.684 178.459 176.600 0.291 0.000 0.988 710 E CA 0.469 56.977 56.400 0.180 0.000 0.834 710 E CB 0.062 29.884 29.700 0.203 0.000 0.772 710 E HN 0.331 nan 8.360 nan 0.000 0.479 711 F N 0.826 120.830 119.950 0.090 0.000 2.161 711 F HA -0.194 4.308 4.527 -0.042 0.000 0.300 711 F C 2.400 178.231 175.800 0.052 0.000 1.089 711 F CA 1.059 59.107 58.000 0.081 0.000 1.282 711 F CB 0.272 39.324 39.000 0.086 0.000 1.010 711 F HN 0.112 nan 8.300 nan 0.000 0.485 712 E N -0.147 120.218 120.200 0.274 0.000 2.251 712 E HA -0.129 4.196 4.350 -0.042 0.000 0.194 712 E C 1.875 178.509 176.600 0.058 0.000 0.964 712 E CA 0.235 56.710 56.400 0.125 0.000 0.868 712 E CB 0.207 29.977 29.700 0.118 0.000 0.828 712 E HN 0.110 nan 8.360 nan 0.000 0.481 713 K N -0.001 120.444 120.400 0.075 0.000 2.155 713 K HA -0.050 4.245 4.320 -0.042 0.000 0.203 713 K C 1.681 178.289 176.600 0.013 0.000 1.052 713 K CA 0.982 57.288 56.287 0.031 0.000 0.948 713 K CB 0.079 32.604 32.500 0.041 0.000 0.728 713 K HN -0.045 nan 8.250 nan 0.000 0.448 714 V N 1.164 121.110 119.914 0.052 0.000 2.323 714 V HA -0.189 3.906 4.120 -0.042 0.000 0.244 714 V C 2.224 178.305 176.094 -0.022 0.000 1.041 714 V CA 1.679 63.995 62.300 0.027 0.000 1.025 714 V CB -0.317 31.570 31.823 0.106 0.000 0.656 714 V HN 0.296 nan 8.190 nan 0.000 0.451 715 I N -0.127 120.438 120.570 -0.008 0.000 2.090 715 I HA -0.190 3.955 4.170 -0.042 0.000 0.236 715 I C 2.313 178.390 176.117 -0.066 0.000 1.064 715 I CA 1.430 62.705 61.300 -0.042 0.000 1.324 715 I CB -0.532 37.441 38.000 -0.045 0.000 1.044 715 I HN 0.105 nan 8.210 nan 0.000 0.399 716 V N 0.856 120.730 119.914 -0.066 0.000 2.759 716 V HA -0.220 3.875 4.120 -0.042 0.000 0.256 716 V C 2.251 178.288 176.094 -0.094 0.000 1.080 716 V CA 1.195 63.439 62.300 -0.093 0.000 1.101 716 V CB -0.460 31.295 31.823 -0.113 0.000 0.698 716 V HN 0.349 nan 8.190 nan 0.000 0.477 717 L N -0.080 121.090 121.223 -0.088 0.000 2.044 717 L HA -0.012 4.303 4.340 -0.042 0.000 0.205 717 L C 2.340 179.137 176.870 -0.121 0.000 1.075 717 L CA 1.916 56.694 54.840 -0.104 0.000 0.747 717 L CB -0.373 41.619 42.059 -0.111 0.000 0.903 717 L HN 0.068 nan 8.230 nan 0.000 0.435 718 R N -0.807 119.613 120.500 -0.133 0.000 2.334 718 R HA 0.307 4.622 4.340 -0.042 0.000 0.216 718 R C 1.742 177.990 176.300 -0.087 0.000 0.905 718 R CA 0.733 56.746 56.100 -0.146 0.000 1.064 718 R CB -0.139 30.025 30.300 -0.226 0.000 1.046 718 R HN 0.451 nan 8.270 nan 0.000 0.508 719 A N 0.115 122.893 122.820 -0.072 0.000 2.021 719 A HA 0.005 4.300 4.320 -0.042 0.000 0.216 719 A C 2.135 179.729 177.584 0.016 0.000 1.163 719 A CA 0.656 52.664 52.037 -0.048 0.000 0.676 719 A CB -0.048 18.901 19.000 -0.086 0.000 0.818 719 A HN 0.052 nan 8.150 nan 0.000 0.453 720 V N -0.210 119.700 119.914 -0.006 0.000 2.331 720 V HA -0.118 3.977 4.120 -0.042 0.000 0.242 720 V C 2.008 178.151 176.094 0.082 0.000 1.034 720 V CA 2.194 64.523 62.300 0.049 0.000 1.027 720 V CB -0.262 31.546 31.823 -0.025 0.000 0.667 720 V HN 0.505 nan 8.190 nan 0.000 0.457 721 D N -0.913 119.489 120.400 0.003 0.000 2.216 721 D HA -0.056 4.559 4.640 -0.042 0.000 0.208 721 D C 2.308 178.594 176.300 -0.024 0.000 0.960 721 D CA 1.494 55.485 54.000 -0.016 0.000 0.861 721 D CB 0.274 41.037 40.800 -0.061 0.000 0.985 721 D HN 0.513 nan 8.370 nan 0.000 0.493 722 S N 1.446 117.114 115.700 -0.053 0.000 2.327 722 S HA -0.129 4.316 4.470 -0.042 0.000 0.213 722 S C 1.983 176.583 174.600 -0.000 0.000 1.032 722 S CA 1.331 59.490 58.200 -0.069 0.000 0.960 722 S CB 0.067 63.183 63.200 -0.140 0.000 0.900 722 S HN 0.128 nan 8.310 nan 0.000 0.469 723 K N 0.265 120.679 120.400 0.022 0.000 2.021 723 K HA 0.089 4.384 4.320 -0.042 0.000 0.205 723 K C 2.324 179.027 176.600 0.172 0.000 1.047 723 K CA 0.846 57.169 56.287 0.060 0.000 0.943 723 K CB -1.088 31.412 32.500 -0.001 0.000 0.725 723 K HN 0.623 nan 8.250 nan 0.000 0.439 724 W N 1.975 123.263 121.300 -0.020 0.000 2.381 724 W HA -0.106 4.529 4.660 -0.042 0.000 0.321 724 W C 1.963 178.542 176.519 0.100 0.000 1.196 724 W CA 1.327 58.699 57.345 0.046 0.000 1.304 724 W CB -0.075 29.402 29.460 0.028 0.000 1.166 724 W HN 0.032 nan 8.180 nan 0.000 0.473 725 M N 0.240 119.809 119.600 -0.052 0.000 2.106 725 M HA -0.251 4.204 4.480 -0.042 0.000 0.259 725 M C 1.815 178.033 176.300 -0.135 0.000 1.068 725 M CA 2.053 57.260 55.300 -0.154 0.000 1.100 725 M CB -1.403 31.178 32.600 -0.031 0.000 1.351 725 M HN 0.061 nan 8.290 nan 0.000 0.404 726 D N -0.352 120.022 120.400 -0.044 0.000 2.178 726 D HA -0.206 4.409 4.640 -0.042 0.000 0.201 726 D C 1.758 178.042 176.300 -0.026 0.000 0.980 726 D CA 1.444 55.434 54.000 -0.018 0.000 0.842 726 D CB -0.064 40.752 40.800 0.028 0.000 0.948 726 D HN 0.469 nan 8.370 nan 0.000 0.472 727 H N 0.205 119.192 119.070 -0.140 0.000 2.333 727 H HA -0.014 4.517 4.556 -0.042 0.000 0.302 727 H C 2.215 177.384 175.328 -0.264 0.000 1.075 727 H CA 1.120 57.078 56.048 -0.149 0.000 1.348 727 H CB -0.151 29.562 29.762 -0.082 0.000 1.393 727 H HN 0.015 nan 8.280 nan 0.000 0.509 728 I N 0.960 121.293 120.570 -0.394 0.000 2.151 728 I HA -0.290 3.855 4.170 -0.042 0.000 0.243 728 I C 2.139 178.095 176.117 -0.270 0.000 1.080 728 I CA 2.052 63.086 61.300 -0.443 0.000 1.339 728 I CB -1.208 36.478 38.000 -0.523 0.000 1.039 728 I HN 0.461 nan 8.210 nan 0.000 0.409 729 D N 0.443 120.724 120.400 -0.199 0.000 2.097 729 D HA -0.135 4.479 4.640 -0.042 0.000 0.195 729 D C 2.240 178.458 176.300 -0.136 0.000 0.989 729 D CA 1.612 55.532 54.000 -0.132 0.000 0.827 729 D CB 0.138 40.884 40.800 -0.091 0.000 0.966 729 D HN 0.293 nan 8.370 nan 0.000 0.456 730 A N -0.022 122.702 122.820 -0.160 0.000 1.865 730 A HA -0.205 4.090 4.320 -0.042 0.000 0.217 730 A C 2.179 179.650 177.584 -0.187 0.000 1.191 730 A CA 1.982 53.918 52.037 -0.168 0.000 0.623 730 A CB -0.833 18.071 19.000 -0.160 0.000 0.826 730 A HN 0.361 nan 8.150 nan 0.000 0.444 731 M N -0.160 119.267 119.600 -0.289 0.000 2.108 731 M HA -0.149 4.306 4.480 -0.042 0.000 0.261 731 M C 1.627 177.912 176.300 -0.026 0.000 1.066 731 M CA 2.238 57.395 55.300 -0.239 0.000 1.107 731 M CB -0.523 31.835 32.600 -0.404 0.000 1.356 731 M HN 0.474 nan 8.290 nan 0.000 0.406 732 D N -0.846 119.516 120.400 -0.064 0.000 2.149 732 D HA -0.188 4.426 4.640 -0.042 0.000 0.198 732 D C 1.920 178.222 176.300 0.004 0.000 0.990 732 D CA 1.477 55.465 54.000 -0.019 0.000 0.839 732 D CB -0.018 40.749 40.800 -0.054 0.000 0.948 732 D HN 0.557 nan 8.370 nan 0.000 0.460 733 Q N -0.368 119.416 119.800 -0.027 0.000 2.062 733 Q HA -0.029 4.285 4.340 -0.042 0.000 0.196 733 Q C 2.446 178.459 176.000 0.022 0.000 0.967 733 Q CA 0.290 56.080 55.803 -0.023 0.000 0.832 733 Q CB -0.049 28.645 28.738 -0.072 0.000 0.899 733 Q HN 0.336 nan 8.270 nan 0.000 0.442 734 L N 0.998 122.239 121.223 0.030 0.000 1.978 734 L HA -0.324 3.991 4.340 -0.042 0.000 0.218 734 L C 2.726 179.740 176.870 0.239 0.000 1.075 734 L CA 1.655 56.556 54.840 0.100 0.000 0.767 734 L CB -0.390 41.703 42.059 0.057 0.000 0.890 734 L HN 0.298 nan 8.230 nan 0.000 0.434 735 R N -0.564 120.142 120.500 0.344 0.000 2.196 735 R HA -0.303 4.011 4.340 -0.042 0.000 0.259 735 R C 2.140 178.560 176.300 0.201 0.000 1.154 735 R CA 2.603 58.855 56.100 0.254 0.000 0.976 735 R CB -0.231 30.169 30.300 0.166 0.000 0.888 735 R HN 0.600 nan 8.270 nan 0.000 0.453 736 Q N -1.865 118.012 119.800 0.128 0.000 1.990 736 Q HA 0.009 4.324 4.340 -0.042 0.000 0.195 736 Q C 2.093 178.187 176.000 0.157 0.000 0.977 736 Q CA 1.135 56.992 55.803 0.091 0.000 0.828 736 Q CB -0.164 28.586 28.738 0.020 0.000 0.896 736 Q HN 0.516 nan 8.270 nan 0.000 0.447 737 G N 1.069 109.930 108.800 0.102 0.000 2.559 737 G HA2 -0.166 3.769 3.960 -0.042 0.000 0.216 737 G HA3 -0.166 3.769 3.960 -0.042 0.000 0.216 737 G C 1.316 176.272 174.900 0.094 0.000 1.126 737 G CA -0.050 45.098 45.100 0.081 0.000 0.778 737 G HN 0.242 nan 8.290 nan 0.000 0.543 738 I N 0.496 121.138 120.570 0.119 0.000 2.423 738 I HA -0.153 3.992 4.170 -0.042 0.000 0.254 738 I C 2.034 178.125 176.117 -0.043 0.000 1.151 738 I CA 1.105 62.425 61.300 0.035 0.000 1.421 738 I CB -0.286 37.744 38.000 0.050 0.000 1.079 738 I HN 0.329 nan 8.210 nan 0.000 0.431 739 H N 0.017 119.108 119.070 0.036 0.000 2.495 739 H HA 0.000 4.532 4.556 -0.040 0.000 0.287 739 H C 1.698 177.024 175.328 -0.004 0.000 1.033 739 H CA 0.749 56.808 56.048 0.017 0.000 1.307 739 H CB 0.239 30.003 29.762 0.003 0.000 1.401 739 H HN 0.342 nan 8.280 nan 0.000 0.555 740 L N 1.257 122.539 121.223 0.097 0.000 2.645 740 L HA 0.086 4.401 4.340 -0.042 0.000 0.234 740 L C 0.880 177.738 176.870 -0.019 0.000 1.165 740 L CA -0.009 54.851 54.840 0.034 0.000 0.944 740 L CB 0.074 42.149 42.059 0.027 0.000 1.149 740 L HN -0.015 nan 8.230 nan 0.000 0.446 741 R N 0.545 121.022 120.500 -0.037 0.000 2.604 741 R HA 0.602 4.917 4.340 -0.042 0.000 0.287 741 R C 0.109 176.301 176.300 -0.179 0.000 0.970 741 R CA -0.468 55.576 56.100 -0.093 0.000 0.946 741 R CB 1.212 31.473 30.300 -0.065 0.000 1.127 741 R HN 0.065 nan 8.270 nan 0.000 0.473 742 A N 3.600 126.240 122.820 -0.299 0.000 2.592 742 A HA -0.070 4.225 4.320 -0.042 0.000 0.250 742 A C -0.204 177.066 177.584 -0.522 0.000 1.017 742 A CA 0.853 52.467 52.037 -0.705 0.000 0.794 742 A CB -0.962 17.584 19.000 -0.757 0.000 0.917 742 A HN 0.990 nan 8.150 nan 0.000 0.515 743 Y N -1.350 118.956 120.300 0.010 0.000 4.047 743 Y HA -0.279 4.246 4.550 -0.042 0.000 0.213 743 Y C 1.181 177.086 175.900 0.007 0.000 1.112 743 Y CA 0.302 58.407 58.100 0.009 0.000 1.644 743 Y CB -2.390 36.075 38.460 0.009 0.000 1.519 743 Y HN 1.102 nan 8.280 nan 0.000 0.624 744 A N 1.544 124.398 122.820 0.057 0.000 2.511 744 A HA 0.269 4.563 4.320 -0.042 0.000 0.242 744 A C 0.781 178.390 177.584 0.041 0.000 1.069 744 A CA -0.193 51.862 52.037 0.032 0.000 0.763 744 A CB 0.224 19.206 19.000 -0.030 0.000 1.001 744 A HN 0.531 nan 8.150 nan 0.000 0.498 745 Q N 1.796 121.620 119.800 0.039 0.000 2.392 745 Q HA 0.169 4.484 4.340 -0.042 0.000 0.262 745 Q C 0.509 176.530 176.000 0.034 0.000 1.003 745 Q CA 0.277 56.105 55.803 0.042 0.000 0.888 745 Q CB -0.196 28.566 28.738 0.041 0.000 1.260 745 Q HN 0.668 nan 8.270 nan 0.000 0.435 746 T N 0.530 115.114 114.554 0.049 0.000 2.848 746 T HA -0.222 4.102 4.350 -0.042 0.000 0.269 746 T C 0.441 175.190 174.700 0.082 0.000 1.081 746 T CA 1.871 64.012 62.100 0.068 0.000 1.125 746 T CB -0.360 68.546 68.868 0.065 0.000 0.848 746 T HN 0.749 nan 8.240 nan 0.000 0.503 747 N N 1.198 119.935 118.700 0.062 0.000 2.776 747 N HA 0.210 4.924 4.740 -0.042 0.000 0.245 747 N C -2.816 172.732 175.510 0.064 0.000 1.121 747 N CA -1.881 51.217 53.050 0.081 0.000 0.852 747 N CB 1.485 40.024 38.487 0.086 0.000 1.142 747 N HN -0.045 nan 8.380 nan 0.000 0.514 748 P HA -0.068 nan 4.420 nan 0.000 0.269 748 P C 1.508 178.813 177.300 0.009 0.000 1.376 748 P CA -0.105 62.989 63.100 -0.010 0.000 0.775 748 P CB 0.026 31.664 31.700 -0.103 0.000 1.345 749 L N 0.260 121.516 121.223 0.055 0.000 2.064 749 L HA -0.263 4.052 4.340 -0.042 0.000 0.216 749 L C 2.289 179.159 176.870 0.001 0.000 1.077 749 L CA 2.222 57.053 54.840 -0.014 0.000 0.766 749 L CB -0.497 41.617 42.059 0.092 0.000 0.890 749 L HN 0.041 nan 8.230 nan 0.000 0.435 750 R N 0.256 120.768 120.500 0.020 0.000 2.075 750 R HA -0.207 4.108 4.340 -0.042 0.000 0.230 750 R C 2.173 178.478 176.300 0.009 0.000 1.140 750 R CA 2.149 58.260 56.100 0.017 0.000 0.928 750 R CB -0.514 29.798 30.300 0.020 0.000 0.834 750 R HN 0.408 nan 8.270 nan 0.000 0.429 751 E N -0.974 119.232 120.200 0.009 0.000 2.097 751 E HA -0.271 4.054 4.350 -0.042 0.000 0.196 751 E C 1.844 178.430 176.600 -0.023 0.000 1.000 751 E CA 1.615 58.015 56.400 -0.000 0.000 0.804 751 E CB -0.319 29.384 29.700 0.006 0.000 0.740 751 E HN 0.443 nan 8.360 nan 0.000 0.454 752 Y N 1.722 121.919 120.300 -0.171 0.000 2.207 752 Y HA -0.281 4.245 4.550 -0.040 0.000 0.287 752 Y C 2.174 177.964 175.900 -0.183 0.000 1.156 752 Y CA 1.714 59.660 58.100 -0.256 0.000 1.182 752 Y CB 0.000 38.118 38.460 -0.570 0.000 0.979 752 Y HN 0.046 nan 8.280 nan 0.000 0.521 753 Q N -0.250 119.495 119.800 -0.093 0.000 1.917 753 Q HA -0.242 4.073 4.340 -0.042 0.000 0.205 753 Q C 2.319 178.314 176.000 -0.009 0.000 0.988 753 Q CA 2.308 58.093 55.803 -0.029 0.000 0.851 753 Q CB -0.360 28.407 28.738 0.048 0.000 0.916 753 Q HN 0.538 nan 8.270 nan 0.000 0.424 754 M N 0.571 120.171 119.600 -0.001 0.000 2.116 754 M HA -0.261 4.193 4.480 -0.042 0.000 0.255 754 M C 1.905 178.199 176.300 -0.010 0.000 1.075 754 M CA 1.751 57.058 55.300 0.013 0.000 1.087 754 M CB -0.573 32.027 32.600 -0.000 0.000 1.340 754 M HN 0.206 nan 8.290 nan 0.000 0.402 755 E N 0.414 120.565 120.200 -0.081 0.000 2.017 755 E HA -0.125 4.200 4.350 -0.042 0.000 0.193 755 E C 2.338 178.844 176.600 -0.158 0.000 0.997 755 E CA 1.273 57.607 56.400 -0.111 0.000 0.804 755 E CB -0.516 29.098 29.700 -0.142 0.000 0.757 755 E HN 0.664 nan 8.360 nan 0.000 0.448 756 G N 0.519 109.120 108.800 -0.332 0.000 2.503 756 G HA2 -0.263 3.672 3.960 -0.042 0.000 0.221 756 G HA3 -0.263 3.672 3.960 -0.042 0.000 0.221 756 G C 1.285 176.052 174.900 -0.222 0.000 1.131 756 G CA 0.736 45.586 45.100 -0.416 0.000 0.756 756 G HN 0.131 nan 8.290 nan 0.000 0.572 757 F N 1.088 120.982 119.950 -0.094 0.000 2.473 757 F HA 0.307 4.809 4.527 -0.042 0.000 0.294 757 F C 2.880 178.682 175.800 0.003 0.000 1.103 757 F CA 0.505 58.505 58.000 -0.001 0.000 1.442 757 F CB 0.060 39.040 39.000 -0.033 0.000 1.097 757 F HN 0.224 nan 8.300 nan 0.000 0.547 758 A N 0.520 123.385 122.820 0.075 0.000 1.851 758 A HA -0.251 4.044 4.320 -0.042 0.000 0.216 758 A C 2.207 179.659 177.584 -0.221 0.000 1.195 758 A CA 1.959 53.924 52.037 -0.119 0.000 0.622 758 A CB -0.859 18.082 19.000 -0.099 0.000 0.831 758 A HN 0.321 nan 8.150 nan 0.000 0.444 759 M N -2.120 117.456 119.600 -0.040 0.000 2.103 759 M HA -0.225 4.230 4.480 -0.042 0.000 0.255 759 M C 2.152 178.553 176.300 0.170 0.000 1.074 759 M CA 2.172 57.537 55.300 0.108 0.000 1.090 759 M CB -0.660 32.027 32.600 0.145 0.000 1.325 759 M HN 0.472 nan 8.290 nan 0.000 0.403 760 F N 1.233 121.177 119.950 -0.010 0.000 2.095 760 F HA -0.204 4.298 4.527 -0.041 0.000 0.298 760 F C 2.199 177.922 175.800 -0.128 0.000 1.104 760 F CA 1.897 59.770 58.000 -0.212 0.000 1.232 760 F CB -0.308 38.540 39.000 -0.253 0.000 0.987 760 F HN 0.176 nan 8.300 nan 0.000 0.475 761 E N -1.200 118.982 120.200 -0.030 0.000 2.031 761 E HA -0.237 4.088 4.350 -0.042 0.000 0.193 761 E C 2.093 178.652 176.600 -0.069 0.000 0.994 761 E CA 1.470 57.819 56.400 -0.085 0.000 0.800 761 E CB -0.478 29.196 29.700 -0.044 0.000 0.752 761 E HN 0.457 nan 8.360 nan 0.000 0.447 762 H N 0.210 119.283 119.070 0.004 0.000 2.457 762 H HA -0.139 4.392 4.556 -0.042 0.000 0.297 762 H C 1.987 177.293 175.328 -0.036 0.000 1.092 762 H CA 1.294 57.347 56.048 0.009 0.000 1.309 762 H CB -0.435 29.362 29.762 0.057 0.000 1.382 762 H HN 0.242 nan 8.280 nan 0.000 0.535 763 M N 0.229 119.831 119.600 0.002 0.000 2.066 763 M HA -0.147 4.308 4.480 -0.042 0.000 0.259 763 M C 1.903 178.111 176.300 -0.153 0.000 1.074 763 M CA 1.530 56.773 55.300 -0.095 0.000 1.114 763 M CB -0.031 32.405 32.600 -0.273 0.000 1.306 763 M HN 0.044 nan 8.290 nan 0.000 0.411 764 I N 0.615 121.011 120.570 -0.290 0.000 2.091 764 I HA -0.377 3.768 4.170 -0.042 0.000 0.240 764 I C 2.226 178.277 176.117 -0.109 0.000 1.046 764 I CA 2.155 63.307 61.300 -0.247 0.000 1.306 764 I CB -1.804 36.026 38.000 -0.283 0.000 1.018 764 I HN 0.502 nan 8.210 nan 0.000 0.404 765 E N 0.478 120.646 120.200 -0.052 0.000 2.108 765 E HA -0.255 4.070 4.350 -0.042 0.000 0.203 765 E C 2.374 178.985 176.600 0.018 0.000 1.022 765 E CA 2.077 58.480 56.400 0.005 0.000 0.823 765 E CB -0.091 29.648 29.700 0.065 0.000 0.744 765 E HN 0.311 nan 8.360 nan 0.000 0.456 766 S N -0.420 115.294 115.700 0.024 0.000 2.406 766 S HA -0.053 4.392 4.470 -0.042 0.000 0.228 766 S C 1.818 176.433 174.600 0.025 0.000 1.020 766 S CA 0.448 58.675 58.200 0.045 0.000 0.965 766 S CB -0.071 63.166 63.200 0.060 0.000 0.798 766 S HN 0.196 nan 8.310 nan 0.000 0.488 767 I N 1.697 122.256 120.570 -0.019 0.000 2.179 767 I HA -0.204 3.941 4.170 -0.042 0.000 0.242 767 I C 2.352 178.468 176.117 -0.001 0.000 1.088 767 I CA 1.296 62.577 61.300 -0.032 0.000 1.357 767 I CB -0.567 37.393 38.000 -0.067 0.000 1.051 767 I HN 0.345 nan 8.210 nan 0.000 0.409 768 E N 1.420 121.620 120.200 0.001 0.000 2.085 768 E HA -0.289 4.036 4.350 -0.042 0.000 0.194 768 E C 1.742 178.390 176.600 0.080 0.000 0.994 768 E CA 1.664 58.078 56.400 0.023 0.000 0.801 768 E CB -0.551 29.151 29.700 0.003 0.000 0.743 768 E HN 0.664 nan 8.360 nan 0.000 0.453 769 D N 1.592 122.048 120.400 0.095 0.000 2.116 769 D HA -0.283 4.332 4.640 -0.042 0.000 0.193 769 D C 1.931 178.353 176.300 0.204 0.000 0.998 769 D CA 2.006 56.092 54.000 0.143 0.000 0.836 769 D CB -0.468 40.410 40.800 0.129 0.000 0.951 769 D HN 0.437 nan 8.370 nan 0.000 0.449 770 E N 0.564 120.887 120.200 0.204 0.000 2.008 770 E HA -0.124 4.201 4.350 -0.042 0.000 0.191 770 E C 2.304 179.070 176.600 0.277 0.000 0.986 770 E CA 1.142 57.718 56.400 0.294 0.000 0.807 770 E CB -0.245 29.502 29.700 0.078 0.000 0.766 770 E HN 0.070 nan 8.360 nan 0.000 0.450 771 V N 1.660 121.651 119.914 0.128 0.000 2.250 771 V HA -0.386 3.709 4.120 -0.042 0.000 0.253 771 V C 2.557 178.752 176.094 0.169 0.000 1.065 771 V CA 2.340 64.707 62.300 0.110 0.000 1.039 771 V CB -1.073 30.770 31.823 0.033 0.000 0.647 771 V HN 0.569 nan 8.190 nan 0.000 0.446 772 A N -0.687 122.237 122.820 0.174 0.000 1.855 772 A HA -0.256 4.039 4.320 -0.042 0.000 0.215 772 A C 2.354 180.086 177.584 0.246 0.000 1.191 772 A CA 2.206 54.369 52.037 0.210 0.000 0.613 772 A CB -0.522 18.624 19.000 0.244 0.000 0.829 772 A HN 0.550 nan 8.150 nan 0.000 0.442 773 K N -1.480 119.061 120.400 0.234 0.000 1.985 773 K HA -0.147 4.148 4.320 -0.042 0.000 0.210 773 K C 1.785 178.435 176.600 0.083 0.000 1.047 773 K CA 1.757 58.100 56.287 0.095 0.000 0.932 773 K CB -0.388 32.170 32.500 0.097 0.000 0.716 773 K HN 0.314 nan 8.250 nan 0.000 0.439 774 F N 1.106 121.126 119.950 0.116 0.000 2.126 774 F HA -0.201 4.301 4.527 -0.041 0.000 0.299 774 F C 2.320 178.174 175.800 0.090 0.000 1.096 774 F CA 1.072 59.163 58.000 0.152 0.000 1.255 774 F CB -0.496 38.606 39.000 0.170 0.000 0.997 774 F HN -0.134 nan 8.300 nan 0.000 0.479 775 V N -0.706 119.345 119.914 0.229 0.000 2.407 775 V HA -0.310 3.785 4.120 -0.042 0.000 0.248 775 V C 2.392 178.490 176.094 0.007 0.000 1.055 775 V CA 1.301 63.673 62.300 0.120 0.000 1.049 775 V CB -0.519 31.358 31.823 0.091 0.000 0.662 775 V HN 0.239 nan 8.190 nan 0.000 0.455 776 M N -0.472 119.129 119.600 0.002 0.000 2.175 776 M HA 0.018 4.473 4.480 -0.042 0.000 0.264 776 M C 1.182 177.412 176.300 -0.115 0.000 1.063 776 M CA 1.390 56.663 55.300 -0.045 0.000 1.119 776 M CB -0.717 31.907 32.600 0.040 0.000 1.377 776 M HN 0.270 nan 8.290 nan 0.000 0.415 777 K N -0.221 120.052 120.400 -0.212 0.000 2.834 777 K HA 0.485 4.779 4.320 -0.042 0.000 0.259 777 K C -1.758 174.644 176.600 -0.330 0.000 1.158 777 K CA -0.013 56.114 56.287 -0.266 0.000 1.068 777 K CB 0.740 33.047 32.500 -0.323 0.000 1.324 777 K HN 0.004 nan 8.250 nan 0.000 0.552 778 A N 3.527 126.320 122.820 -0.045 0.000 2.483 778 A HA 0.421 4.716 4.320 -0.042 0.000 0.308 778 A C -0.766 176.873 177.584 0.090 0.000 1.291 778 A CA -0.657 51.456 52.037 0.126 0.000 0.774 778 A CB 0.516 19.677 19.000 0.268 0.000 1.134 778 A HN 0.650 nan 8.150 nan 0.000 0.471 779 E N 1.391 121.626 120.200 0.059 0.000 2.392 779 E HA 0.427 4.752 4.350 -0.042 0.000 0.259 779 E C 0.090 176.651 176.600 -0.064 0.000 1.108 779 E CA 0.043 56.435 56.400 -0.014 0.000 0.916 779 E CB 0.976 30.672 29.700 -0.007 0.000 0.989 779 E HN 0.636 nan 8.360 nan 0.000 0.432 780 I N 0.000 120.449 120.570 -0.202 0.000 2.984 780 I HA 0.000 4.145 4.170 -0.042 0.000 0.288 780 I CA 0.000 61.179 61.300 -0.201 0.000 1.566 780 I CB 0.000 37.804 38.000 -0.327 0.000 1.214 780 I HN 0.000 nan 8.210 nan 0.000 0.494