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 1s5o_1_A DATA FIRST_RESID 9 DATA SEQUENCE HHTDPLPRLP VPPLQQSLDH YLKALQPIVS EEEWAHTKQL VDEFQASGGV DATA SEQUENCE GERLQKGLER RARKTENWLS EWWLKTAYLQ YRQPVVIYSS PGVMLPKQDF DATA SEQUENCE VDLQGQLRFA AKLIEGVLDF KVMIDNETLP VEYLGGKPLC MNQYYQILSS DATA SEQUENCE CRVPGPKQDT VSNFSKTKKP PTHITVVHNY QFFELDVYHS DGTPLTADQI DATA SEQUENCE FVQLEKIWNS SLQTNKEPVG ILTSNHRNSW AKAYNTLIKD KVNRDSVRSI DATA SEQUENCE QKSIFTVCLD ATMPRVSEDV YRSHVAGQML HGGGSRLNSG NRWFDKTLQF DATA SEQUENCE IVAEDGSCGL VYEHAAAEGP PIVTLLDYVI EYTKKPELVR SPMVPLPMPK DATA SEQUENCE KLRFNITPEI KSDIEKAKQN LSIMIQDLDI TVMVFHHFGK DFPKSEKLSP DATA SEQUENCE DAFIQMALQL AYYRIYGQAC ATYESASLRM FHLGRTDTIR SASMDSLTFV DATA SEQUENCE KAMDDSSVTE HQKVELLRKA VQAHRGYTDR AIRGEAFDRH LLGLKLQAIE DATA SEQUENCE DLVSTPDIFM DTSYAIAMHF HLSTSQVPAK TDCVMFFGPV VPDGYGVCYN DATA SEQUENCE PMEAHINFSL SAYNSCAETN AARLAHYLEK ALLDMRALLQ S 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 9 H HA 0.000 nan 4.556 nan 0.000 0.296 9 H C 0.000 175.430 175.328 0.170 0.000 0.993 9 H CA 0.000 56.111 56.048 0.104 0.000 1.023 9 H CB 0.000 29.796 29.762 0.057 0.000 1.292 10 H N 1.102 120.176 119.070 0.006 0.000 2.990 10 H HA 0.396 4.954 4.556 0.004 0.000 0.343 10 H C -0.783 174.526 175.328 -0.031 0.000 1.270 10 H CA -0.433 55.615 56.048 -0.000 0.000 1.118 10 H CB 1.461 31.228 29.762 0.009 0.000 1.861 10 H HN 0.470 nan 8.280 nan 0.000 0.544 11 T N -0.677 113.704 114.554 -0.289 0.000 2.874 11 T HA 0.216 4.568 4.350 0.003 0.000 0.281 11 T C 0.050 174.419 174.700 -0.552 0.000 0.994 11 T CA -0.826 61.067 62.100 -0.345 0.000 1.015 11 T CB 0.659 69.456 68.868 -0.118 0.000 1.028 11 T HN 0.517 nan 8.240 nan 0.000 0.523 12 D N 2.429 122.623 120.400 -0.345 0.000 2.390 12 D HA 0.157 4.800 4.640 0.003 0.000 0.236 12 D C -1.686 174.534 176.300 -0.134 0.000 1.189 12 D CA -0.456 53.398 54.000 -0.242 0.000 0.887 12 D CB 0.080 40.801 40.800 -0.132 0.000 1.198 12 D HN 0.506 nan 8.370 nan 0.000 0.444 13 P HA 0.134 nan 4.420 nan 0.000 0.272 13 P C 0.055 177.322 177.300 -0.054 0.000 1.240 13 P CA -0.367 62.702 63.100 -0.051 0.000 0.791 13 P CB 0.891 32.542 31.700 -0.080 0.000 0.978 14 L N 1.720 122.921 121.223 -0.037 0.000 2.453 14 L HA 0.275 4.617 4.340 0.003 0.000 0.261 14 L C -1.584 175.303 176.870 0.028 0.000 1.179 14 L CA -1.855 52.979 54.840 -0.010 0.000 0.813 14 L CB -0.106 41.971 42.059 0.030 0.000 1.110 14 L HN 0.318 nan 8.230 nan 0.000 0.466 15 P HA 0.109 nan 4.420 nan 0.000 0.269 15 P C -0.867 176.613 177.300 0.301 0.000 1.215 15 P CA -0.318 62.876 63.100 0.156 0.000 0.780 15 P CB 0.499 32.311 31.700 0.187 0.000 0.898 16 R N 0.993 121.644 120.500 0.253 0.000 2.531 16 R HA 0.288 4.630 4.340 0.003 0.000 0.273 16 R C 0.129 176.529 176.300 0.166 0.000 1.070 16 R CA -1.216 55.025 56.100 0.235 0.000 1.112 16 R CB 0.078 30.466 30.300 0.146 0.000 1.049 16 R HN 0.458 nan 8.270 nan 0.000 0.508 17 L N 5.164 126.396 121.223 0.016 0.000 2.628 17 L HA 0.030 4.372 4.340 0.003 0.000 0.274 17 L C -1.911 174.864 176.870 -0.158 0.000 1.209 17 L CA -0.451 54.174 54.840 -0.357 0.000 0.930 17 L CB 0.057 41.949 42.059 -0.279 0.000 1.183 17 L HN 0.435 nan 8.230 nan 0.000 0.492 18 P HA 0.131 nan 4.420 nan 0.000 0.276 18 P C -1.174 176.133 177.300 0.012 0.000 1.244 18 P CA -0.358 62.671 63.100 -0.119 0.000 0.801 18 P CB 0.996 32.589 31.700 -0.178 0.000 1.006 19 V N 3.506 123.329 119.914 -0.152 0.000 2.364 19 V HA 0.243 4.365 4.120 0.003 0.000 0.272 19 V C -1.945 173.928 176.094 -0.368 0.000 1.036 19 V CA -1.591 60.473 62.300 -0.394 0.000 0.880 19 V CB 0.452 31.927 31.823 -0.580 0.000 0.991 19 V HN 0.559 nan 8.190 nan 0.000 0.460 20 P HA 0.279 nan 4.420 nan 0.000 0.272 20 P C -2.669 174.452 177.300 -0.298 0.000 1.223 20 P CA -1.502 61.416 63.100 -0.304 0.000 0.784 20 P CB -0.148 31.434 31.700 -0.197 0.000 0.923 21 P HA -0.042 nan 4.420 nan 0.000 0.266 21 P C 0.827 178.160 177.300 0.056 0.000 1.195 21 P CA -0.041 63.028 63.100 -0.053 0.000 0.768 21 P CB 0.321 31.994 31.700 -0.045 0.000 0.838 22 L N 3.838 125.120 121.223 0.099 0.000 1.989 22 L HA -0.257 4.085 4.340 0.003 0.000 0.211 22 L C 2.166 179.073 176.870 0.062 0.000 1.071 22 L CA 1.939 56.872 54.840 0.156 0.000 0.749 22 L CB -1.170 40.913 42.059 0.040 0.000 0.890 22 L HN 0.362 nan 8.230 nan 0.000 0.431 23 Q N -0.435 119.365 119.800 0.001 0.000 2.124 23 Q HA -0.304 4.038 4.340 0.003 0.000 0.202 23 Q C 2.078 178.035 176.000 -0.072 0.000 0.977 23 Q CA 1.984 57.770 55.803 -0.028 0.000 0.850 23 Q CB -0.906 27.813 28.738 -0.032 0.000 0.901 23 Q HN 0.785 nan 8.270 nan 0.000 0.429 24 Q N 0.884 120.625 119.800 -0.098 0.000 2.119 24 Q HA -0.098 4.244 4.340 0.003 0.000 0.201 24 Q C 1.837 177.582 176.000 -0.426 0.000 0.972 24 Q CA 1.523 57.164 55.803 -0.271 0.000 0.847 24 Q CB 0.152 28.764 28.738 -0.210 0.000 0.903 24 Q HN 0.326 nan 8.270 nan 0.000 0.433 25 S N 0.780 116.415 115.700 -0.108 0.000 2.371 25 S HA -0.016 4.456 4.470 0.003 0.000 0.224 25 S C 1.940 176.493 174.600 -0.078 0.000 1.029 25 S CA 0.792 59.010 58.200 0.030 0.000 0.978 25 S CB -0.143 63.266 63.200 0.349 0.000 0.833 25 S HN 0.354 nan 8.310 nan 0.000 0.466 26 L N 1.462 122.659 121.223 -0.042 0.000 2.131 26 L HA -0.149 4.193 4.340 0.003 0.000 0.210 26 L C 1.989 178.835 176.870 -0.040 0.000 1.092 26 L CA 0.977 55.804 54.840 -0.022 0.000 0.759 26 L CB -0.637 41.435 42.059 0.022 0.000 0.903 26 L HN 0.199 nan 8.230 nan 0.000 0.435 27 D N -1.142 119.228 120.400 -0.051 0.000 2.117 27 D HA -0.164 4.479 4.640 0.003 0.000 0.198 27 D C 2.148 178.507 176.300 0.099 0.000 0.982 27 D CA 1.171 55.182 54.000 0.018 0.000 0.828 27 D CB -0.212 40.610 40.800 0.037 0.000 0.967 27 D HN 0.327 nan 8.370 nan 0.000 0.464 28 H N -0.534 118.478 119.070 -0.098 0.000 2.353 28 H HA -0.119 4.439 4.556 0.003 0.000 0.300 28 H C 1.883 176.981 175.328 -0.383 0.000 1.090 28 H CA 0.769 56.736 56.048 -0.136 0.000 1.327 28 H CB -0.816 28.960 29.762 0.023 0.000 1.383 28 H HN 0.222 nan 8.280 nan 0.000 0.508 29 Y N 1.365 121.181 120.300 -0.807 0.000 2.081 29 Y HA -0.232 4.321 4.550 0.004 0.000 0.280 29 Y C 2.341 178.086 175.900 -0.259 0.000 1.163 29 Y CA 1.412 58.959 58.100 -0.923 0.000 1.135 29 Y CB -0.859 37.179 38.460 -0.703 0.000 0.970 29 Y HN 0.091 nan 8.280 nan 0.000 0.498 30 L N -0.139 120.914 121.223 -0.283 0.000 2.046 30 L HA -0.252 4.090 4.340 0.003 0.000 0.208 30 L C 2.513 179.470 176.870 0.145 0.000 1.077 30 L CA 1.853 56.579 54.840 -0.191 0.000 0.747 30 L CB -0.566 41.440 42.059 -0.088 0.000 0.896 30 L HN 0.095 nan 8.230 nan 0.000 0.432 31 K N 0.058 120.532 120.400 0.123 0.000 2.044 31 K HA -0.189 4.133 4.320 0.003 0.000 0.210 31 K C 2.120 178.819 176.600 0.165 0.000 1.049 31 K CA 1.681 58.059 56.287 0.151 0.000 0.927 31 K CB -0.372 32.188 32.500 0.099 0.000 0.713 31 K HN 0.311 nan 8.250 nan 0.000 0.443 32 A N 0.448 123.366 122.820 0.163 0.000 2.067 32 A HA -0.069 4.253 4.320 0.003 0.000 0.219 32 A C 1.958 179.674 177.584 0.220 0.000 1.158 32 A CA 1.054 53.253 52.037 0.270 0.000 0.661 32 A CB -0.472 18.823 19.000 0.491 0.000 0.801 32 A HN 0.192 nan 8.150 nan 0.000 0.452 33 L N -1.277 120.018 121.223 0.119 0.000 2.156 33 L HA -0.172 4.170 4.340 0.003 0.000 0.208 33 L C 2.718 179.729 176.870 0.234 0.000 1.095 33 L CA 1.215 56.133 54.840 0.129 0.000 0.770 33 L CB -0.490 41.542 42.059 -0.044 0.000 0.914 33 L HN 0.538 nan 8.230 nan 0.000 0.439 34 Q N 0.587 120.535 119.800 0.248 0.000 2.096 34 Q HA -0.217 4.125 4.340 0.003 0.000 0.208 34 Q C -0.679 175.360 176.000 0.065 0.000 0.993 34 Q CA 2.283 58.131 55.803 0.075 0.000 0.862 34 Q CB -0.595 28.101 28.738 -0.070 0.000 0.915 34 Q HN 0.365 nan 8.270 nan 0.000 0.416 35 P HA -0.041 nan 4.420 nan 0.000 0.241 35 P C 0.792 178.161 177.300 0.113 0.000 1.191 35 P CA 0.989 64.143 63.100 0.091 0.000 0.771 35 P CB -0.095 31.667 31.700 0.103 0.000 0.929 36 I N -3.544 117.104 120.570 0.129 0.000 4.240 36 I HA 0.236 4.408 4.170 0.003 0.000 0.331 36 I C 0.236 176.423 176.117 0.116 0.000 1.381 36 I CA -0.557 60.818 61.300 0.126 0.000 1.136 36 I CB 0.877 38.960 38.000 0.137 0.000 1.137 36 I HN -0.313 nan 8.210 nan 0.000 0.411 37 V N -0.522 119.470 119.914 0.130 0.000 3.001 37 V HA 0.717 4.839 4.120 0.003 0.000 0.314 37 V C 0.430 176.600 176.094 0.128 0.000 1.099 37 V CA -0.315 62.061 62.300 0.126 0.000 0.989 37 V CB 1.457 33.365 31.823 0.141 0.000 1.040 37 V HN 0.324 nan 8.190 nan 0.000 0.434 38 S N 0.786 116.550 115.700 0.107 0.000 2.584 38 S HA 0.138 4.610 4.470 0.003 0.000 0.270 38 S C 1.060 175.740 174.600 0.133 0.000 1.346 38 S CA 0.783 59.040 58.200 0.095 0.000 1.018 38 S CB 0.739 63.980 63.200 0.069 0.000 0.899 38 S HN 1.162 nan 8.310 nan 0.000 0.542 39 E N 0.885 121.144 120.200 0.098 0.000 2.114 39 E HA -0.289 4.063 4.350 0.003 0.000 0.199 39 E C 1.818 178.515 176.600 0.161 0.000 1.008 39 E CA 1.929 58.392 56.400 0.105 0.000 0.810 39 E CB -0.233 29.496 29.700 0.048 0.000 0.739 39 E HN 0.878 nan 8.360 nan 0.000 0.456 40 E N -0.314 119.956 120.200 0.117 0.000 2.072 40 E HA -0.168 4.184 4.350 0.003 0.000 0.190 40 E C 1.972 178.651 176.600 0.131 0.000 0.982 40 E CA 1.146 57.610 56.400 0.107 0.000 0.803 40 E CB 0.128 29.861 29.700 0.056 0.000 0.755 40 E HN 0.342 nan 8.360 nan 0.000 0.453 41 E N -0.348 119.929 120.200 0.128 0.000 2.072 41 E HA -0.196 4.156 4.350 0.003 0.000 0.191 41 E C 1.551 178.243 176.600 0.153 0.000 0.985 41 E CA 0.968 57.447 56.400 0.132 0.000 0.801 41 E CB -0.206 29.556 29.700 0.103 0.000 0.750 41 E HN 0.366 nan 8.360 nan 0.000 0.452 42 W N 1.360 122.671 121.300 0.018 0.000 2.358 42 W HA -0.207 4.454 4.660 0.001 0.000 0.303 42 W C 2.332 178.846 176.519 -0.009 0.000 1.208 42 W CA 2.024 59.360 57.345 -0.015 0.000 1.274 42 W CB -0.106 29.340 29.460 -0.023 0.000 1.138 42 W HN 0.046 nan 8.180 nan 0.000 0.515 43 A N -1.175 121.853 122.820 0.346 0.000 1.929 43 A HA -0.254 4.068 4.320 0.003 0.000 0.216 43 A C 1.997 179.599 177.584 0.029 0.000 1.176 43 A CA 1.754 53.931 52.037 0.234 0.000 0.628 43 A CB -1.462 17.689 19.000 0.252 0.000 0.816 43 A HN 0.611 nan 8.150 nan 0.000 0.444 44 H N -0.301 118.746 119.070 -0.038 0.000 2.352 44 H HA -0.121 4.437 4.556 0.003 0.000 0.299 44 H C 1.940 177.174 175.328 -0.156 0.000 1.097 44 H CA 1.934 57.937 56.048 -0.074 0.000 1.311 44 H CB 0.084 29.820 29.762 -0.043 0.000 1.377 44 H HN 0.427 nan 8.280 nan 0.000 0.504 45 T N 0.466 114.849 114.554 -0.286 0.000 2.821 45 T HA -0.129 4.223 4.350 0.003 0.000 0.267 45 T C 1.977 176.363 174.700 -0.524 0.000 1.046 45 T CA 1.637 63.483 62.100 -0.423 0.000 1.139 45 T CB -0.087 68.525 68.868 -0.428 0.000 0.871 45 T HN 0.277 nan 8.240 nan 0.000 0.454 46 K N 1.563 121.567 120.400 -0.660 0.000 2.097 46 K HA -0.031 4.291 4.320 0.003 0.000 0.205 46 K C 2.309 178.703 176.600 -0.342 0.000 1.050 46 K CA 1.250 57.155 56.287 -0.637 0.000 0.938 46 K CB -0.285 31.705 32.500 -0.849 0.000 0.718 46 K HN 0.346 nan 8.250 nan 0.000 0.442 47 Q N 0.265 119.895 119.800 -0.284 0.000 2.119 47 Q HA -0.123 4.219 4.340 0.003 0.000 0.201 47 Q C 1.922 177.788 176.000 -0.224 0.000 0.972 47 Q CA 1.223 56.908 55.803 -0.196 0.000 0.847 47 Q CB -0.033 28.622 28.738 -0.139 0.000 0.903 47 Q HN 0.417 nan 8.270 nan 0.000 0.433 48 L N 0.358 121.379 121.223 -0.338 0.000 2.046 48 L HA -0.160 4.182 4.340 0.003 0.000 0.208 48 L C 2.498 179.248 176.870 -0.200 0.000 1.077 48 L CA 1.051 55.708 54.840 -0.305 0.000 0.747 48 L CB -0.549 41.261 42.059 -0.415 0.000 0.896 48 L HN 0.176 nan 8.230 nan 0.000 0.432 49 V N -0.346 119.437 119.914 -0.219 0.000 2.515 49 V HA -0.248 3.874 4.120 0.003 0.000 0.250 49 V C 2.097 178.167 176.094 -0.039 0.000 1.058 49 V CA 1.541 63.769 62.300 -0.120 0.000 1.064 49 V CB -0.457 31.269 31.823 -0.162 0.000 0.675 49 V HN 0.398 nan 8.190 nan 0.000 0.461 50 D N 0.154 120.500 120.400 -0.090 0.000 2.117 50 D HA -0.136 4.506 4.640 0.003 0.000 0.198 50 D C 2.225 178.499 176.300 -0.044 0.000 0.982 50 D CA 1.212 55.175 54.000 -0.062 0.000 0.828 50 D CB -0.123 40.635 40.800 -0.070 0.000 0.967 50 D HN 0.562 nan 8.370 nan 0.000 0.464 51 E N -0.344 119.828 120.200 -0.047 0.000 2.153 51 E HA -0.150 4.202 4.350 0.003 0.000 0.194 51 E C 1.800 178.400 176.600 -0.001 0.000 0.988 51 E CA 0.335 56.716 56.400 -0.032 0.000 0.811 51 E CB -0.132 29.544 29.700 -0.040 0.000 0.746 51 E HN 0.215 nan 8.360 nan 0.000 0.466 52 F N 2.457 122.316 119.950 -0.152 0.000 2.113 52 F HA -0.143 4.386 4.527 0.003 0.000 0.297 52 F C 2.220 177.943 175.800 -0.129 0.000 1.103 52 F CA 1.662 59.563 58.000 -0.164 0.000 1.248 52 F CB -0.064 38.798 39.000 -0.231 0.000 0.999 52 F HN -0.090 nan 8.300 nan 0.000 0.475 53 Q N 0.587 120.305 119.800 -0.137 0.000 2.365 53 Q HA 0.327 4.669 4.340 0.003 0.000 0.203 53 Q C 0.618 176.521 176.000 -0.162 0.000 0.929 53 Q CA 0.250 55.924 55.803 -0.215 0.000 0.948 53 Q CB -0.417 28.266 28.738 -0.091 0.000 1.043 53 Q HN 0.291 nan 8.270 nan 0.000 0.505 54 A N 1.669 124.409 122.820 -0.133 0.000 2.531 54 A HA 0.105 4.427 4.320 0.003 0.000 0.236 54 A C 0.292 177.812 177.584 -0.108 0.000 1.062 54 A CA 0.070 52.048 52.037 -0.097 0.000 0.760 54 A CB 0.360 19.315 19.000 -0.076 0.000 0.995 54 A HN 0.404 nan 8.150 nan 0.000 0.501 55 S N 1.628 117.280 115.700 -0.080 0.000 2.563 55 S HA 0.349 4.821 4.470 0.003 0.000 0.294 55 S C 1.467 176.023 174.600 -0.073 0.000 1.279 55 S CA 1.111 59.267 58.200 -0.073 0.000 1.069 55 S CB -0.494 62.674 63.200 -0.053 0.000 0.828 55 S HN 2.525 nan 8.310 nan 0.000 0.497 56 G N 3.296 112.049 108.800 -0.078 0.000 2.179 56 G HA2 -0.158 3.804 3.960 0.003 0.000 0.257 56 G HA3 -0.158 3.804 3.960 0.003 0.000 0.257 56 G C 0.458 175.308 174.900 -0.085 0.000 1.010 56 G CA 0.241 45.298 45.100 -0.071 0.000 0.736 56 G HN 1.220 nan 8.290 nan 0.000 0.513 57 G N -1.919 106.809 108.800 -0.121 0.000 2.613 57 G HA2 0.610 4.572 3.960 0.003 0.000 0.303 57 G HA3 0.610 4.572 3.960 0.003 0.000 0.303 57 G C 1.122 175.911 174.900 -0.186 0.000 1.312 57 G CA 0.249 45.263 45.100 -0.143 0.000 1.036 57 G HN 0.634 nan 8.290 nan 0.000 0.513 58 V N 0.788 120.584 119.914 -0.195 0.000 2.407 58 V HA -0.089 4.033 4.120 0.003 0.000 0.248 58 V C 2.967 178.835 176.094 -0.378 0.000 1.055 58 V CA 2.514 64.704 62.300 -0.183 0.000 1.049 58 V CB -0.903 30.901 31.823 -0.031 0.000 0.662 58 V HN 0.811 nan 8.190 nan 0.000 0.455 59 G N -0.851 107.414 108.800 -0.891 0.000 2.394 59 G HA2 -0.182 3.780 3.960 0.003 0.000 0.215 59 G HA3 -0.182 3.780 3.960 0.003 0.000 0.215 59 G C 1.470 176.060 174.900 -0.517 0.000 1.165 59 G CA 0.598 44.939 45.100 -1.264 0.000 0.784 59 G HN 0.538 nan 8.290 nan 0.000 0.535 60 E N 0.083 120.056 120.200 -0.378 0.000 2.153 60 E HA -0.083 4.269 4.350 0.003 0.000 0.194 60 E C 2.751 179.264 176.600 -0.144 0.000 0.988 60 E CA 0.538 56.813 56.400 -0.209 0.000 0.811 60 E CB -0.026 29.577 29.700 -0.162 0.000 0.746 60 E HN 0.349 nan 8.360 nan 0.000 0.466 61 R N 0.200 120.615 120.500 -0.143 0.000 2.062 61 R HA -0.049 4.293 4.340 0.003 0.000 0.229 61 R C 2.464 178.732 176.300 -0.053 0.000 1.128 61 R CA 0.843 56.894 56.100 -0.081 0.000 0.960 61 R CB -0.260 30.002 30.300 -0.064 0.000 0.855 61 R HN 0.164 nan 8.270 nan 0.000 0.432 62 L N 0.615 121.804 121.223 -0.056 0.000 2.083 62 L HA -0.212 4.130 4.340 0.003 0.000 0.209 62 L C 2.677 179.549 176.870 0.003 0.000 1.083 62 L CA 1.206 56.048 54.840 0.003 0.000 0.752 62 L CB -0.380 41.713 42.059 0.057 0.000 0.899 62 L HN 0.186 nan 8.230 nan 0.000 0.433 63 Q N 0.504 120.288 119.800 -0.028 0.000 2.079 63 Q HA -0.200 4.142 4.340 0.003 0.000 0.200 63 Q C 2.232 178.204 176.000 -0.045 0.000 0.974 63 Q CA 1.524 57.321 55.803 -0.011 0.000 0.840 63 Q CB -0.044 28.684 28.738 -0.016 0.000 0.898 63 Q HN 0.125 nan 8.270 nan 0.000 0.430 64 K N -0.610 119.761 120.400 -0.049 0.000 2.209 64 K HA -0.071 4.251 4.320 0.003 0.000 0.204 64 K C 1.823 178.401 176.600 -0.036 0.000 1.048 64 K CA 1.158 57.416 56.287 -0.048 0.000 0.940 64 K CB -0.401 32.073 32.500 -0.043 0.000 0.729 64 K HN 0.436 nan 8.250 nan 0.000 0.451 65 G N 1.082 109.873 108.800 -0.014 0.000 2.408 65 G HA2 -0.182 3.780 3.960 0.003 0.000 0.217 65 G HA3 -0.182 3.780 3.960 0.003 0.000 0.217 65 G C 1.615 176.516 174.900 0.002 0.000 1.150 65 G CA 0.211 45.319 45.100 0.015 0.000 0.776 65 G HN 0.169 nan 8.290 nan 0.000 0.542 66 L N -0.008 121.192 121.223 -0.038 0.000 2.046 66 L HA -0.045 4.297 4.340 0.003 0.000 0.208 66 L C 2.827 179.561 176.870 -0.226 0.000 1.077 66 L CA 1.222 55.964 54.840 -0.164 0.000 0.747 66 L CB -0.446 41.416 42.059 -0.329 0.000 0.896 66 L HN 0.267 nan 8.230 nan 0.000 0.432 67 E N -0.237 119.858 120.200 -0.175 0.000 2.110 67 E HA -0.237 4.115 4.350 0.003 0.000 0.193 67 E C 2.318 178.863 176.600 -0.092 0.000 0.988 67 E CA 0.910 57.219 56.400 -0.151 0.000 0.804 67 E CB 0.009 29.642 29.700 -0.112 0.000 0.745 67 E HN 0.283 nan 8.360 nan 0.000 0.458 68 R N 0.532 120.994 120.500 -0.063 0.000 2.073 68 R HA -0.106 4.236 4.340 0.003 0.000 0.234 68 R C 2.434 178.717 176.300 -0.028 0.000 1.134 68 R CA 1.316 57.395 56.100 -0.034 0.000 0.952 68 R CB -0.049 30.241 30.300 -0.017 0.000 0.850 68 R HN 0.009 nan 8.270 nan 0.000 0.433 69 R N -0.042 120.438 120.500 -0.032 0.000 2.094 69 R HA -0.176 4.166 4.340 0.003 0.000 0.239 69 R C 2.105 178.412 176.300 0.012 0.000 1.137 69 R CA 1.867 57.952 56.100 -0.025 0.000 0.943 69 R CB -0.391 29.887 30.300 -0.036 0.000 0.850 69 R HN 0.288 nan 8.270 nan 0.000 0.433 70 A N 0.655 123.484 122.820 0.014 0.000 2.024 70 A HA -0.173 4.149 4.320 0.003 0.000 0.220 70 A C 2.122 179.732 177.584 0.043 0.000 1.164 70 A CA 1.376 53.463 52.037 0.083 0.000 0.643 70 A CB -0.453 18.564 19.000 0.028 0.000 0.806 70 A HN 0.343 nan 8.150 nan 0.000 0.451 71 R N -0.608 119.895 120.500 0.006 0.000 2.148 71 R HA -0.019 4.323 4.340 0.003 0.000 0.223 71 R C 1.320 177.625 176.300 0.009 0.000 1.088 71 R CA 1.323 57.426 56.100 0.005 0.000 0.985 71 R CB -0.057 30.238 30.300 -0.008 0.000 0.880 71 R HN 0.512 nan 8.270 nan 0.000 0.451 72 K N -0.484 119.919 120.400 0.006 0.000 2.374 72 K HA 0.048 4.370 4.320 0.003 0.000 0.196 72 K C 0.328 176.930 176.600 0.003 0.000 1.023 72 K CA 0.438 56.725 56.287 0.000 0.000 1.103 72 K CB 1.042 33.536 32.500 -0.010 0.000 0.848 72 K HN 0.122 nan 8.250 nan 0.000 0.528 73 T N -2.857 111.707 114.554 0.017 0.000 2.887 73 T HA 0.297 4.649 4.350 0.003 0.000 0.292 73 T C 0.599 175.331 174.700 0.054 0.000 1.087 73 T CA -0.889 61.221 62.100 0.016 0.000 1.009 73 T CB 2.095 70.956 68.868 -0.011 0.000 1.203 73 T HN -0.099 nan 8.240 nan 0.000 0.518 74 E N 0.339 120.579 120.200 0.067 0.000 2.158 74 E HA 0.052 4.404 4.350 0.003 0.000 0.191 74 E C 0.355 177.046 176.600 0.151 0.000 0.982 74 E CA 0.383 56.877 56.400 0.157 0.000 0.823 74 E CB 0.232 30.070 29.700 0.229 0.000 0.766 74 E HN 0.535 nan 8.360 nan 0.000 0.468 75 N N -0.170 118.550 118.700 0.033 0.000 2.549 75 N HA -0.020 4.722 4.740 0.003 0.000 0.290 75 N C -0.079 175.364 175.510 -0.111 0.000 1.122 75 N CA -0.435 52.581 53.050 -0.057 0.000 0.885 75 N CB 0.557 38.961 38.487 -0.139 0.000 1.455 75 N HN 0.173 nan 8.380 nan 0.000 0.521 76 W N 4.003 125.250 121.300 -0.090 0.000 2.468 76 W HA -0.041 4.621 4.660 0.004 0.000 0.262 76 W C 0.388 176.798 176.519 -0.180 0.000 1.241 76 W CA 0.214 57.467 57.345 -0.153 0.000 1.232 76 W CB -0.134 29.262 29.460 -0.106 0.000 1.124 76 W HN 0.428 nan 8.180 nan 0.000 0.597 77 L N 2.230 123.010 121.223 -0.738 0.000 2.609 77 L HA 0.117 4.459 4.340 0.003 0.000 0.230 77 L C 2.563 179.306 176.870 -0.212 0.000 1.087 77 L CA 1.704 56.141 54.840 -0.671 0.000 0.874 77 L CB -0.473 40.795 42.059 -1.318 0.000 1.114 77 L HN -0.071 nan 8.230 nan 0.000 0.488 78 S N -0.643 114.934 115.700 -0.206 0.000 2.356 78 S HA -0.207 4.265 4.470 0.003 0.000 0.223 78 S C 1.715 176.343 174.600 0.046 0.000 1.032 78 S CA 1.494 59.663 58.200 -0.052 0.000 1.005 78 S CB -0.696 62.458 63.200 -0.077 0.000 0.867 78 S HN 0.602 nan 8.310 nan 0.000 0.449 79 E N 0.120 120.306 120.200 -0.024 0.000 2.072 79 E HA -0.106 4.246 4.350 0.003 0.000 0.191 79 E C 1.862 178.565 176.600 0.171 0.000 0.985 79 E CA 1.069 57.484 56.400 0.026 0.000 0.801 79 E CB -0.193 29.469 29.700 -0.062 0.000 0.750 79 E HN 0.570 nan 8.360 nan 0.000 0.452 80 W N 0.881 122.222 121.300 0.068 0.000 2.335 80 W HA -0.183 4.479 4.660 0.003 0.000 0.311 80 W C 2.079 178.651 176.519 0.090 0.000 1.213 80 W CA 0.454 57.846 57.345 0.078 0.000 1.274 80 W CB -1.170 28.360 29.460 0.117 0.000 1.148 80 W HN 0.308 nan 8.180 nan 0.000 0.498 81 W N 0.505 121.896 121.300 0.152 0.000 2.381 81 W HA -0.215 4.447 4.660 0.004 0.000 0.301 81 W C 2.147 178.670 176.519 0.007 0.000 1.205 81 W CA 1.242 58.598 57.345 0.018 0.000 1.285 81 W CB -0.689 28.752 29.460 -0.032 0.000 1.133 81 W HN -0.182 nan 8.180 nan 0.000 0.521 82 L N 2.099 123.383 121.223 0.101 0.000 1.990 82 L HA -0.247 4.095 4.340 0.003 0.000 0.213 82 L C 2.575 179.433 176.870 -0.020 0.000 1.072 82 L CA 2.438 57.323 54.840 0.074 0.000 0.755 82 L CB -1.118 41.015 42.059 0.122 0.000 0.889 82 L HN -0.149 nan 8.230 nan 0.000 0.432 83 K N -1.460 118.944 120.400 0.007 0.000 2.025 83 K HA -0.164 4.158 4.320 0.003 0.000 0.207 83 K C 2.076 178.610 176.600 -0.109 0.000 1.049 83 K CA 1.898 58.182 56.287 -0.004 0.000 0.933 83 K CB -0.206 32.342 32.500 0.080 0.000 0.714 83 K HN 0.667 nan 8.250 nan 0.000 0.438 84 T N -1.938 112.505 114.554 -0.185 0.000 2.937 84 T HA 0.088 4.441 4.350 0.003 0.000 0.260 84 T C 1.912 176.291 174.700 -0.534 0.000 1.051 84 T CA 0.801 62.737 62.100 -0.273 0.000 1.141 84 T CB 0.043 68.779 68.868 -0.220 0.000 0.879 84 T HN 0.150 nan 8.240 nan 0.000 0.459 85 A N -0.672 121.566 122.820 -0.969 0.000 2.016 85 A HA 0.311 4.633 4.320 0.003 0.000 0.217 85 A C 1.568 178.356 177.584 -1.328 0.000 1.162 85 A CA 0.724 51.873 52.037 -1.480 0.000 0.662 85 A CB -0.382 17.083 19.000 -2.559 0.000 0.812 85 A HN 0.652 nan 8.150 nan 0.000 0.450 86 Y N -1.807 118.286 120.300 -0.344 0.000 3.208 86 Y HA 0.295 4.847 4.550 0.004 0.000 0.205 86 Y C 1.844 177.714 175.900 -0.050 0.000 0.923 86 Y CA -0.150 57.857 58.100 -0.156 0.000 1.596 86 Y CB -0.302 38.066 38.460 -0.153 0.000 1.478 86 Y HN -0.002 nan 8.280 nan 0.000 0.409 87 L N 0.388 121.674 121.223 0.104 0.000 2.275 87 L HA -0.151 4.191 4.340 0.003 0.000 0.215 87 L C 1.244 178.129 176.870 0.025 0.000 1.119 87 L CA 1.520 56.397 54.840 0.062 0.000 0.790 87 L CB -0.394 41.695 42.059 0.049 0.000 0.919 87 L HN 0.386 nan 8.230 nan 0.000 0.443 88 Q N -1.499 118.306 119.800 0.008 0.000 2.282 88 Q HA 0.040 4.382 4.340 0.003 0.000 0.206 88 Q C -0.297 175.720 176.000 0.030 0.000 0.878 88 Q CA -0.258 55.547 55.803 0.003 0.000 0.944 88 Q CB 0.487 29.219 28.738 -0.010 0.000 1.100 88 Q HN 0.253 nan 8.270 nan 0.000 0.509 89 Y N 1.615 121.841 120.300 -0.124 0.000 2.393 89 Y HA 0.078 4.630 4.550 0.004 0.000 0.338 89 Y C 0.560 176.377 175.900 -0.138 0.000 1.029 89 Y CA -0.269 57.745 58.100 -0.143 0.000 1.239 89 Y CB 0.455 38.810 38.460 -0.174 0.000 1.170 89 Y HN -0.106 nan 8.280 nan 0.000 0.515 90 R N 2.873 123.054 120.500 -0.532 0.000 2.397 90 R HA 0.122 4.464 4.340 0.003 0.000 0.241 90 R C 0.081 175.813 176.300 -0.946 0.000 0.914 90 R CA -0.075 55.688 56.100 -0.562 0.000 1.071 90 R CB 0.136 30.233 30.300 -0.339 0.000 1.116 90 R HN 0.675 nan 8.270 nan 0.000 0.524 91 Q N 1.446 120.620 119.800 -1.044 0.000 2.474 91 Q HA 0.158 4.500 4.340 0.003 0.000 0.256 91 Q C -2.135 173.633 176.000 -0.386 0.000 1.048 91 Q CA -1.833 53.534 55.803 -0.727 0.000 0.922 91 Q CB -0.278 28.002 28.738 -0.764 0.000 1.288 91 Q HN -0.056 nan 8.270 nan 0.000 0.484 92 P HA -0.132 nan 4.420 nan 0.000 0.266 92 P C 0.921 178.212 177.300 -0.016 0.000 1.180 92 P CA 0.373 63.449 63.100 -0.041 0.000 0.765 92 P CB 0.353 32.054 31.700 0.001 0.000 0.806 93 V N 1.448 121.320 119.914 -0.069 0.000 2.719 93 V HA -0.054 4.068 4.120 0.003 0.000 0.252 93 V C 0.868 176.891 176.094 -0.117 0.000 1.065 93 V CA 0.847 63.135 62.300 -0.020 0.000 1.086 93 V CB -0.768 31.060 31.823 0.009 0.000 0.700 93 V HN 0.152 nan 8.190 nan 0.000 0.467 94 V N 2.218 121.942 119.914 -0.316 0.000 2.540 94 V HA 0.139 4.261 4.120 0.003 0.000 0.297 94 V C 1.436 177.252 176.094 -0.463 0.000 1.024 94 V CA 1.213 63.213 62.300 -0.499 0.000 1.105 94 V CB 0.012 31.361 31.823 -0.790 0.000 0.938 94 V HN 0.654 nan 8.190 nan 0.000 0.482 95 I N 1.752 122.143 120.570 -0.297 0.000 4.381 95 I HA -0.427 3.745 4.170 0.003 0.000 0.070 95 I C 1.328 177.377 176.117 -0.113 0.000 0.586 95 I CA 1.792 62.948 61.300 -0.240 0.000 1.055 95 I CB -1.258 36.478 38.000 -0.440 0.000 0.943 95 I HN 0.628 nan 8.210 nan 0.000 0.171 96 Y N -0.009 120.361 120.300 0.117 0.000 2.457 96 Y HA 0.042 4.594 4.550 0.004 0.000 0.292 96 Y C 2.427 178.436 175.900 0.182 0.000 1.125 96 Y CA 1.529 59.735 58.100 0.177 0.000 1.254 96 Y CB -0.160 38.391 38.460 0.152 0.000 1.012 96 Y HN 0.386 nan 8.280 nan 0.000 0.555 97 S N -2.202 113.635 115.700 0.228 0.000 3.265 97 S HA 0.148 4.620 4.470 0.003 0.000 0.259 97 S C 0.486 175.154 174.600 0.114 0.000 1.089 97 S CA -0.159 58.169 58.200 0.213 0.000 0.811 97 S CB -0.442 62.907 63.200 0.248 0.000 0.858 97 S HN 0.065 nan 8.310 nan 0.000 0.452 98 S N 4.408 120.112 115.700 0.007 0.000 2.422 98 S HA 0.473 4.946 4.470 0.003 0.000 0.283 98 S C -2.725 171.764 174.600 -0.184 0.000 1.163 98 S CA -0.761 57.354 58.200 -0.142 0.000 1.054 98 S CB 1.058 64.225 63.200 -0.055 0.000 0.967 98 S HN 0.407 nan 8.310 nan 0.000 0.499 99 P HA 0.386 nan 4.420 nan 0.000 0.278 99 P C 0.107 177.247 177.300 -0.266 0.000 1.238 99 P CA -0.307 62.638 63.100 -0.258 0.000 0.794 99 P CB 0.708 32.221 31.700 -0.311 0.000 0.955 100 G N 0.452 109.142 108.800 -0.183 0.000 2.489 100 G HA2 0.609 4.571 3.960 0.003 0.000 0.327 100 G HA3 0.609 4.571 3.960 0.003 0.000 0.327 100 G C -1.469 172.960 174.900 -0.785 0.000 1.189 100 G CA -0.682 44.271 45.100 -0.245 0.000 0.962 100 G HN 0.357 nan 8.290 nan 0.000 0.486 101 V N 1.309 120.951 119.914 -0.453 0.000 2.638 101 V HA 0.537 4.659 4.120 0.003 0.000 0.306 101 V C -0.229 175.819 176.094 -0.076 0.000 1.052 101 V CA -0.632 61.429 62.300 -0.398 0.000 0.885 101 V CB 1.791 33.510 31.823 -0.174 0.000 0.999 101 V HN 0.846 nan 8.190 nan 0.000 0.424 102 M N 5.411 125.050 119.600 0.065 0.000 2.227 102 M HA 0.625 5.107 4.480 0.003 0.000 0.335 102 M C -1.440 174.947 176.300 0.146 0.000 1.053 102 M CA -0.398 55.035 55.300 0.222 0.000 0.973 102 M CB 1.235 34.063 32.600 0.380 0.000 1.623 102 M HN 0.573 nan 8.290 nan 0.000 0.434 103 L N 5.449 126.755 121.223 0.138 0.000 2.431 103 L HA 0.591 4.933 4.340 0.003 0.000 0.260 103 L C -2.001 174.929 176.870 0.099 0.000 1.098 103 L CA -1.993 52.922 54.840 0.125 0.000 0.800 103 L CB 0.651 42.808 42.059 0.162 0.000 1.210 103 L HN 0.547 nan 8.230 nan 0.000 0.465 104 P HA 0.005 nan 4.420 nan 0.000 0.266 104 P C -1.195 176.109 177.300 0.008 0.000 1.195 104 P CA -0.309 62.820 63.100 0.048 0.000 0.768 104 P CB 0.294 32.017 31.700 0.039 0.000 0.838 105 K N 3.213 123.608 120.400 -0.007 0.000 2.448 105 K HA 0.031 4.353 4.320 0.003 0.000 0.278 105 K C 0.041 176.532 176.600 -0.182 0.000 1.009 105 K CA -0.228 56.016 56.287 -0.072 0.000 0.995 105 K CB 0.321 32.805 32.500 -0.027 0.000 0.917 105 K HN 0.304 nan 8.250 nan 0.000 0.481 106 Q N 2.460 122.048 119.800 -0.353 0.000 2.318 106 Q HA 0.010 4.352 4.340 0.003 0.000 0.222 106 Q C 0.533 176.232 176.000 -0.502 0.000 1.003 106 Q CA -0.142 55.384 55.803 -0.461 0.000 0.936 106 Q CB 0.912 29.237 28.738 -0.688 0.000 1.204 106 Q HN 0.881 nan 8.270 nan 0.000 0.524 107 D N 0.180 120.380 120.400 -0.333 0.000 2.097 107 D HA -0.126 4.516 4.640 0.003 0.000 0.197 107 D C 0.720 176.894 176.300 -0.209 0.000 0.984 107 D CA 0.515 54.392 54.000 -0.206 0.000 0.826 107 D CB -0.827 39.929 40.800 -0.074 0.000 0.973 107 D HN 0.481 nan 8.370 nan 0.000 0.460 108 F N 0.837 120.740 119.950 -0.079 0.000 2.647 108 F HA 0.179 4.708 4.527 0.003 0.000 0.363 108 F C 1.129 176.910 175.800 -0.032 0.000 1.130 108 F CA -0.610 57.363 58.000 -0.046 0.000 1.351 108 F CB 0.269 39.252 39.000 -0.029 0.000 1.026 108 F HN -0.052 nan 8.300 nan 0.000 0.607 109 V N -2.100 117.938 119.914 0.205 0.000 3.392 109 V HA 0.343 4.465 4.120 0.003 0.000 0.294 109 V C -0.918 175.245 176.094 0.115 0.000 1.561 109 V CA 0.317 62.681 62.300 0.106 0.000 1.056 109 V CB -0.453 31.391 31.823 0.035 0.000 0.882 109 V HN 0.962 nan 8.190 nan 0.000 0.440 110 D N -0.977 119.502 120.400 0.131 0.000 2.570 110 D HA 0.385 5.027 4.640 0.003 0.000 0.244 110 D C 0.607 176.891 176.300 -0.027 0.000 1.178 110 D CA -0.603 53.423 54.000 0.043 0.000 0.881 110 D CB 1.794 42.601 40.800 0.012 0.000 1.453 110 D HN -0.077 nan 8.370 nan 0.000 0.447 111 L N 0.124 121.256 121.223 -0.152 0.000 2.129 111 L HA -0.186 4.156 4.340 0.003 0.000 0.212 111 L C 2.109 178.821 176.870 -0.264 0.000 1.087 111 L CA 1.959 56.573 54.840 -0.377 0.000 0.757 111 L CB -0.617 41.074 42.059 -0.613 0.000 0.896 111 L HN 0.637 nan 8.230 nan 0.000 0.434 112 Q N -0.506 119.240 119.800 -0.090 0.000 2.050 112 Q HA -0.176 4.167 4.340 0.003 0.000 0.202 112 Q C 2.044 178.063 176.000 0.031 0.000 0.980 112 Q CA 1.965 57.820 55.803 0.087 0.000 0.840 112 Q CB -0.522 28.241 28.738 0.041 0.000 0.898 112 Q HN 0.616 nan 8.270 nan 0.000 0.424 113 G N 0.819 109.603 108.800 -0.027 0.000 2.418 113 G HA2 -0.326 3.637 3.960 0.003 0.000 0.217 113 G HA3 -0.326 3.637 3.960 0.003 0.000 0.217 113 G C 1.329 176.064 174.900 -0.275 0.000 1.158 113 G CA 0.881 45.980 45.100 -0.003 0.000 0.771 113 G HN 0.499 nan 8.290 nan 0.000 0.545 114 Q N -0.274 119.163 119.800 -0.605 0.000 2.050 114 Q HA -0.014 4.329 4.340 0.003 0.000 0.202 114 Q C 2.533 178.232 176.000 -0.502 0.000 0.980 114 Q CA 1.091 56.169 55.803 -1.208 0.000 0.840 114 Q CB -0.189 28.098 28.738 -0.751 0.000 0.898 114 Q HN 0.514 nan 8.270 nan 0.000 0.424 115 L N -0.063 121.014 121.223 -0.244 0.000 2.240 115 L HA -0.057 4.286 4.340 0.003 0.000 0.211 115 L C 2.561 179.518 176.870 0.145 0.000 1.106 115 L CA 0.142 54.935 54.840 -0.078 0.000 0.793 115 L CB -0.305 41.636 42.059 -0.197 0.000 0.927 115 L HN 0.105 nan 8.230 nan 0.000 0.446 116 R N 0.181 120.782 120.500 0.169 0.000 2.083 116 R HA -0.185 4.157 4.340 0.003 0.000 0.237 116 R C 2.164 178.499 176.300 0.058 0.000 1.137 116 R CA 1.606 57.745 56.100 0.066 0.000 0.951 116 R CB -1.127 29.134 30.300 -0.065 0.000 0.851 116 R HN 0.265 nan 8.270 nan 0.000 0.434 117 F N 1.341 121.238 119.950 -0.087 0.000 2.075 117 F HA -0.125 4.404 4.527 0.003 0.000 0.297 117 F C 2.214 178.002 175.800 -0.020 0.000 1.113 117 F CA 1.461 59.444 58.000 -0.029 0.000 1.218 117 F CB -0.567 38.444 39.000 0.018 0.000 0.984 117 F HN 0.052 nan 8.300 nan 0.000 0.472 118 A N 0.744 123.476 122.820 -0.146 0.000 1.948 118 A HA -0.150 4.172 4.320 0.003 0.000 0.220 118 A C 2.449 179.920 177.584 -0.188 0.000 1.177 118 A CA 2.116 54.031 52.037 -0.204 0.000 0.636 118 A CB -1.677 17.289 19.000 -0.057 0.000 0.815 118 A HN 0.593 nan 8.150 nan 0.000 0.449 119 A N -0.590 122.176 122.820 -0.090 0.000 1.865 119 A HA -0.196 4.127 4.320 0.003 0.000 0.217 119 A C 2.093 179.634 177.584 -0.071 0.000 1.191 119 A CA 2.194 54.207 52.037 -0.039 0.000 0.623 119 A CB -0.399 18.637 19.000 0.060 0.000 0.826 119 A HN 0.324 nan 8.150 nan 0.000 0.444 120 K N -0.796 119.544 120.400 -0.100 0.000 2.097 120 K HA 0.002 4.324 4.320 0.003 0.000 0.205 120 K C 1.797 178.315 176.600 -0.136 0.000 1.050 120 K CA 0.803 57.056 56.287 -0.055 0.000 0.938 120 K CB -0.881 31.597 32.500 -0.037 0.000 0.718 120 K HN 0.376 nan 8.250 nan 0.000 0.442 121 L N 0.868 121.860 121.223 -0.385 0.000 2.012 121 L HA -0.132 4.210 4.340 0.003 0.000 0.210 121 L C 2.082 178.745 176.870 -0.345 0.000 1.073 121 L CA 1.473 56.030 54.840 -0.473 0.000 0.748 121 L CB -0.479 41.175 42.059 -0.675 0.000 0.891 121 L HN 0.091 nan 8.230 nan 0.000 0.431 122 I N -1.128 119.333 120.570 -0.182 0.000 2.226 122 I HA -0.238 3.934 4.170 0.003 0.000 0.245 122 I C 2.469 178.540 176.117 -0.076 0.000 1.100 122 I CA 0.908 62.215 61.300 0.012 0.000 1.374 122 I CB -0.325 37.690 38.000 0.026 0.000 1.057 122 I HN 0.257 nan 8.210 nan 0.000 0.413 123 E N 1.019 121.158 120.200 -0.102 0.000 2.085 123 E HA -0.182 4.170 4.350 0.003 0.000 0.194 123 E C 2.256 178.588 176.600 -0.446 0.000 0.994 123 E CA 1.537 57.856 56.400 -0.135 0.000 0.801 123 E CB -0.625 29.124 29.700 0.082 0.000 0.743 123 E HN 0.485 nan 8.360 nan 0.000 0.453 124 G N 0.178 108.687 108.800 -0.484 0.000 2.402 124 G HA2 -0.197 3.765 3.960 0.003 0.000 0.216 124 G HA3 -0.197 3.765 3.960 0.003 0.000 0.216 124 G C 1.841 176.548 174.900 -0.323 0.000 1.162 124 G CA 0.969 45.650 45.100 -0.699 0.000 0.777 124 G HN 0.250 nan 8.290 nan 0.000 0.539 125 V N 1.047 120.780 119.914 -0.301 0.000 2.332 125 V HA -0.141 3.981 4.120 0.003 0.000 0.248 125 V C 2.887 178.944 176.094 -0.061 0.000 1.055 125 V CA 1.450 63.594 62.300 -0.259 0.000 1.038 125 V CB -0.401 31.036 31.823 -0.644 0.000 0.651 125 V HN 0.348 nan 8.190 nan 0.000 0.450 126 L N -0.271 120.912 121.223 -0.067 0.000 2.156 126 L HA -0.155 4.187 4.340 0.003 0.000 0.208 126 L C 2.283 179.154 176.870 0.002 0.000 1.095 126 L CA 1.757 56.599 54.840 0.003 0.000 0.770 126 L CB -0.611 41.396 42.059 -0.086 0.000 0.914 126 L HN 0.385 nan 8.230 nan 0.000 0.439 127 D N 0.091 120.426 120.400 -0.109 0.000 2.084 127 D HA -0.257 4.385 4.640 0.003 0.000 0.194 127 D C 2.020 178.342 176.300 0.036 0.000 0.990 127 D CA 1.155 55.131 54.000 -0.039 0.000 0.826 127 D CB -0.044 40.631 40.800 -0.208 0.000 0.971 127 D HN 0.162 nan 8.370 nan 0.000 0.453 128 F N 1.412 121.283 119.950 -0.131 0.000 2.126 128 F HA -0.145 4.384 4.527 0.003 0.000 0.299 128 F C 2.132 177.801 175.800 -0.218 0.000 1.096 128 F CA 1.510 59.281 58.000 -0.382 0.000 1.255 128 F CB -0.177 38.592 39.000 -0.384 0.000 0.997 128 F HN -0.147 nan 8.300 nan 0.000 0.479 129 K N -0.113 120.309 120.400 0.037 0.000 2.211 129 K HA -0.151 4.171 4.320 0.003 0.000 0.204 129 K C 1.885 178.465 176.600 -0.033 0.000 1.047 129 K CA 1.384 57.688 56.287 0.028 0.000 0.935 129 K CB -0.239 32.345 32.500 0.139 0.000 0.728 129 K HN 0.246 nan 8.250 nan 0.000 0.452 130 V N 1.360 121.249 119.914 -0.042 0.000 2.332 130 V HA -0.299 3.823 4.120 0.003 0.000 0.248 130 V C 2.266 178.302 176.094 -0.096 0.000 1.055 130 V CA 2.070 64.351 62.300 -0.032 0.000 1.038 130 V CB -0.344 31.476 31.823 -0.005 0.000 0.651 130 V HN 0.422 nan 8.190 nan 0.000 0.450 131 M N -1.158 118.307 119.600 -0.224 0.000 2.254 131 M HA -0.075 4.407 4.480 0.003 0.000 0.265 131 M C 2.134 178.309 176.300 -0.208 0.000 1.066 131 M CA 1.444 56.591 55.300 -0.254 0.000 1.123 131 M CB -0.380 31.967 32.600 -0.423 0.000 1.388 131 M HN 0.211 nan 8.290 nan 0.000 0.425 132 I N 0.972 121.375 120.570 -0.279 0.000 2.099 132 I HA -0.297 3.875 4.170 0.003 0.000 0.239 132 I C 1.857 178.033 176.117 0.098 0.000 1.066 132 I CA 1.835 63.084 61.300 -0.085 0.000 1.324 132 I CB -1.417 36.539 38.000 -0.074 0.000 1.037 132 I HN 0.283 nan 8.210 nan 0.000 0.401 133 D N 0.672 121.096 120.400 0.041 0.000 2.182 133 D HA -0.167 4.475 4.640 0.003 0.000 0.201 133 D C 1.847 178.164 176.300 0.027 0.000 0.986 133 D CA 1.209 55.237 54.000 0.047 0.000 0.847 133 D CB -0.428 40.383 40.800 0.019 0.000 0.942 133 D HN 0.524 nan 8.370 nan 0.000 0.467 134 N N 0.183 118.890 118.700 0.011 0.000 2.392 134 N HA 0.000 4.742 4.740 0.003 0.000 0.177 134 N C -0.392 175.125 175.510 0.011 0.000 1.066 134 N CA 0.044 53.093 53.050 -0.001 0.000 0.895 134 N CB 0.454 38.932 38.487 -0.015 0.000 0.988 134 N HN 0.049 nan 8.380 nan 0.000 0.457 135 E N -0.454 119.784 120.200 0.063 0.000 2.442 135 E HA -0.148 4.204 4.350 0.003 0.000 0.256 135 E C -0.401 176.234 176.600 0.059 0.000 1.095 135 E CA 0.751 57.220 56.400 0.114 0.000 0.747 135 E CB -1.816 27.875 29.700 -0.015 0.000 1.310 135 E HN 0.537 nan 8.360 nan 0.000 0.396 136 T N -2.748 111.806 114.554 -0.001 0.000 3.182 136 T HA 0.282 4.634 4.350 0.003 0.000 0.277 136 T C 0.415 175.056 174.700 -0.097 0.000 1.013 136 T CA -0.683 61.397 62.100 -0.034 0.000 0.900 136 T CB 0.260 69.105 68.868 -0.038 0.000 1.098 136 T HN 0.002 nan 8.240 nan 0.000 0.543 137 L N 4.186 125.311 121.223 -0.164 0.000 2.601 137 L HA 0.245 4.587 4.340 0.003 0.000 0.277 137 L C -1.836 174.943 176.870 -0.151 0.000 1.219 137 L CA -1.778 52.892 54.840 -0.282 0.000 0.915 137 L CB -0.309 41.500 42.059 -0.418 0.000 1.160 137 L HN 0.172 nan 8.230 nan 0.000 0.494 138 P HA 0.004 nan 4.420 nan 0.000 0.262 138 P C -0.345 176.953 177.300 -0.003 0.000 1.199 138 P CA -0.213 62.871 63.100 -0.026 0.000 0.763 138 P CB 0.195 31.893 31.700 -0.003 0.000 0.790 139 V N 4.306 124.265 119.914 0.074 0.000 2.599 139 V HA -0.057 4.065 4.120 0.003 0.000 0.300 139 V C 1.161 177.354 176.094 0.164 0.000 1.034 139 V CA 0.363 62.716 62.300 0.088 0.000 1.115 139 V CB -0.360 31.526 31.823 0.106 0.000 0.934 139 V HN 0.521 nan 8.190 nan 0.000 0.485 140 E N 3.137 123.382 120.200 0.075 0.000 2.331 140 E HA 0.408 4.760 4.350 0.003 0.000 0.272 140 E C -1.428 175.210 176.600 0.064 0.000 1.036 140 E CA -0.291 56.188 56.400 0.132 0.000 0.864 140 E CB 1.033 30.796 29.700 0.106 0.000 1.035 140 E HN 0.580 nan 8.360 nan 0.000 0.408 141 Y N 1.068 121.377 120.300 0.015 0.000 2.524 141 Y HA 0.482 5.034 4.550 0.003 0.000 0.344 141 Y C -0.634 175.266 175.900 -0.000 0.000 1.012 141 Y CA -1.040 57.061 58.100 0.002 0.000 1.068 141 Y CB 1.519 39.977 38.460 -0.002 0.000 1.249 141 Y HN 0.330 nan 8.280 nan 0.000 0.468 142 L N 1.464 122.745 121.223 0.097 0.000 2.439 142 L HA 0.715 5.057 4.340 0.003 0.000 0.270 142 L C 0.249 177.150 176.870 0.053 0.000 0.972 142 L CA -0.225 54.650 54.840 0.058 0.000 0.836 142 L CB 1.729 43.792 42.059 0.007 0.000 1.255 142 L HN 0.767 nan 8.230 nan 0.000 0.404 143 G N 3.413 112.246 108.800 0.057 0.000 2.366 143 G HA2 0.047 4.009 3.960 0.003 0.000 0.299 143 G HA3 0.047 4.009 3.960 0.003 0.000 0.299 143 G C 1.049 175.987 174.900 0.064 0.000 1.020 143 G CA 0.741 45.867 45.100 0.044 0.000 1.026 143 G HN 2.257 nan 8.290 nan 0.000 0.512 144 G N -1.754 107.112 108.800 0.110 0.000 2.166 144 G HA2 -0.236 3.726 3.960 0.003 0.000 0.260 144 G HA3 -0.236 3.726 3.960 0.003 0.000 0.260 144 G C 0.310 175.346 174.900 0.226 0.000 0.986 144 G CA 1.450 46.632 45.100 0.138 0.000 0.683 144 G HN 1.148 nan 8.290 nan 0.000 0.527 145 K N 0.681 121.193 120.400 0.187 0.000 2.316 145 K HA 0.625 4.947 4.320 0.003 0.000 0.251 145 K C -2.298 174.175 176.600 -0.212 0.000 0.934 145 K CA -2.220 54.090 56.287 0.040 0.000 0.802 145 K CB 2.649 35.117 32.500 -0.052 0.000 1.171 145 K HN 0.018 nan 8.250 nan 0.000 0.426 146 P HA 0.198 nan 4.420 nan 0.000 0.274 146 P C -0.808 176.237 177.300 -0.425 0.000 1.231 146 P CA -0.322 62.235 63.100 -0.905 0.000 0.790 146 P CB 0.789 32.082 31.700 -0.678 0.000 0.951 147 L N 1.389 122.407 121.223 -0.342 0.000 2.334 147 L HA 0.389 4.731 4.340 0.003 0.000 0.273 147 L C 0.900 177.731 176.870 -0.065 0.000 1.013 147 L CA -1.127 53.621 54.840 -0.153 0.000 0.816 147 L CB 1.712 43.726 42.059 -0.074 0.000 1.278 147 L HN 0.450 nan 8.230 nan 0.000 0.431 148 C N 3.898 123.191 119.300 -0.013 0.000 2.538 148 C HA 0.029 4.491 4.460 0.003 0.000 0.408 148 C C 1.488 176.544 174.990 0.110 0.000 1.421 148 C CA -0.147 58.906 59.018 0.058 0.000 1.642 148 C CB -0.174 27.597 27.740 0.051 0.000 2.553 148 C HN 0.748 nan 8.230 nan 0.000 0.604 149 M N 5.026 124.739 119.600 0.188 0.000 2.356 149 M HA 0.074 4.556 4.480 0.003 0.000 0.262 149 M C 1.582 178.092 176.300 0.351 0.000 1.097 149 M CA 0.337 55.821 55.300 0.307 0.000 0.991 149 M CB -1.579 31.186 32.600 0.275 0.000 1.450 149 M HN 0.878 nan 8.290 nan 0.000 0.495 150 N N 1.399 120.267 118.700 0.280 0.000 2.205 150 N HA -0.193 4.549 4.740 0.003 0.000 0.186 150 N C 1.549 177.178 175.510 0.198 0.000 1.015 150 N CA 1.631 54.870 53.050 0.314 0.000 0.862 150 N CB 0.130 38.685 38.487 0.114 0.000 0.986 150 N HN 0.441 nan 8.380 nan 0.000 0.429 151 Q N -1.512 118.286 119.800 -0.004 0.000 2.224 151 Q HA -0.115 4.227 4.340 0.003 0.000 0.203 151 Q C 1.087 176.951 176.000 -0.225 0.000 0.970 151 Q CA 0.992 56.708 55.803 -0.145 0.000 0.865 151 Q CB -0.084 28.489 28.738 -0.275 0.000 0.922 151 Q HN 0.588 nan 8.270 nan 0.000 0.445 152 Y N -1.483 118.702 120.300 -0.192 0.000 2.497 152 Y HA -0.160 4.392 4.550 0.004 0.000 0.292 152 Y C 0.840 176.515 175.900 -0.375 0.000 1.137 152 Y CA 0.785 58.697 58.100 -0.312 0.000 1.285 152 Y CB 0.051 38.224 38.460 -0.478 0.000 0.991 152 Y HN 0.196 nan 8.280 nan 0.000 0.556 153 Y N -1.057 119.327 120.300 0.140 0.000 2.461 153 Y HA 0.086 4.638 4.550 0.003 0.000 0.277 153 Y C 1.188 177.123 175.900 0.058 0.000 1.182 153 Y CA -0.178 57.974 58.100 0.087 0.000 1.276 153 Y CB 0.203 38.698 38.460 0.058 0.000 1.087 153 Y HN 0.060 nan 8.280 nan 0.000 0.519 154 Q N -0.434 119.437 119.800 0.119 0.000 2.159 154 Q HA 0.301 4.643 4.340 0.003 0.000 0.217 154 Q C 1.254 177.288 176.000 0.057 0.000 0.818 154 Q CA 0.299 56.150 55.803 0.080 0.000 1.008 154 Q CB 0.851 29.617 28.738 0.047 0.000 1.148 154 Q HN 0.631 nan 8.270 nan 0.000 0.491 155 I N -0.567 120.039 120.570 0.060 0.000 2.927 155 I HA 0.049 4.221 4.170 0.003 0.000 0.268 155 I C 0.725 176.911 176.117 0.115 0.000 1.153 155 I CA 0.433 61.763 61.300 0.051 0.000 1.459 155 I CB 0.442 38.448 38.000 0.010 0.000 1.149 155 I HN 0.016 nan 8.210 nan 0.000 0.443 156 L N 0.502 121.814 121.223 0.148 0.000 2.360 156 L HA 0.306 4.648 4.340 0.003 0.000 0.271 156 L C 0.602 177.594 176.870 0.203 0.000 1.057 156 L CA -0.367 54.590 54.840 0.196 0.000 0.803 156 L CB 1.392 43.575 42.059 0.206 0.000 1.207 156 L HN 0.108 nan 8.230 nan 0.000 0.445 157 S N 0.351 116.186 115.700 0.226 0.000 3.641 157 S HA -0.153 4.319 4.470 0.003 0.000 0.346 157 S C -0.070 174.727 174.600 0.329 0.000 1.074 157 S CA 0.934 59.281 58.200 0.245 0.000 1.026 157 S CB -1.354 61.986 63.200 0.233 0.000 0.908 157 S HN 0.888 nan 8.310 nan 0.000 0.479 158 S N -1.314 114.548 115.700 0.270 0.000 2.627 158 S HA 0.873 5.345 4.470 0.003 0.000 0.283 158 S C -0.574 174.182 174.600 0.259 0.000 1.127 158 S CA -0.408 57.936 58.200 0.240 0.000 0.863 158 S CB 2.675 65.954 63.200 0.133 0.000 1.121 158 S HN 0.872 nan 8.310 nan 0.000 0.479 159 C N 1.196 120.643 119.300 0.245 0.000 3.090 159 C HA 0.625 5.088 4.460 0.003 0.000 0.347 159 C C -0.369 174.745 174.990 0.207 0.000 1.147 159 C CA -0.458 58.725 59.018 0.274 0.000 1.305 159 C CB 1.418 29.378 27.740 0.366 0.000 1.692 159 C HN 1.181 nan 8.230 nan 0.000 0.506 160 R N 2.706 123.324 120.500 0.197 0.000 2.543 160 R HA 0.608 4.950 4.340 0.003 0.000 0.277 160 R C -1.027 175.350 176.300 0.128 0.000 1.074 160 R CA 0.020 56.199 56.100 0.133 0.000 1.076 160 R CB 0.724 31.096 30.300 0.119 0.000 0.993 160 R HN 0.618 nan 8.270 nan 0.000 0.459 161 V N 6.862 126.791 119.914 0.024 0.000 2.444 161 V HA 0.330 4.452 4.120 0.003 0.000 0.294 161 V C -2.170 173.768 176.094 -0.260 0.000 1.022 161 V CA -2.161 60.069 62.300 -0.116 0.000 0.850 161 V CB 1.601 33.391 31.823 -0.055 0.000 0.992 161 V HN 0.837 nan 8.190 nan 0.000 0.426 162 P HA 0.408 nan 4.420 nan 0.000 0.272 162 P C 0.026 177.102 177.300 -0.373 0.000 1.223 162 P CA 0.219 63.020 63.100 -0.500 0.000 0.784 162 P CB 0.906 32.033 31.700 -0.955 0.000 0.923 163 G N 1.194 109.868 108.800 -0.210 0.000 2.660 163 G HA2 0.477 4.439 3.960 0.003 0.000 0.294 163 G HA3 0.477 4.439 3.960 0.003 0.000 0.294 163 G C -2.313 172.538 174.900 -0.081 0.000 1.369 163 G CA -1.291 43.738 45.100 -0.119 0.000 0.912 163 G HN 0.143 nan 8.290 nan 0.000 0.479 164 P HA -0.094 nan 4.420 nan 0.000 0.215 164 P C 1.163 178.453 177.300 -0.017 0.000 1.157 164 P CA 1.370 64.455 63.100 -0.025 0.000 0.868 164 P CB 0.472 32.164 31.700 -0.012 0.000 0.788 165 K N -0.827 119.563 120.400 -0.016 0.000 2.190 165 K HA 0.067 4.389 4.320 0.003 0.000 0.202 165 K C 1.514 178.105 176.600 -0.015 0.000 1.045 165 K CA 0.630 56.912 56.287 -0.009 0.000 0.976 165 K CB 0.236 32.734 32.500 -0.003 0.000 0.849 165 K HN 0.377 nan 8.250 nan 0.000 0.468 166 Q N 0.342 120.131 119.800 -0.019 0.000 2.565 166 Q HA 0.308 4.651 4.340 0.003 0.000 0.294 166 Q C -1.640 174.342 176.000 -0.030 0.000 1.005 166 Q CA -0.983 54.807 55.803 -0.020 0.000 0.771 166 Q CB 1.597 30.332 28.738 -0.005 0.000 1.486 166 Q HN -0.228 nan 8.270 nan 0.000 0.422 167 D N 0.999 121.385 120.400 -0.024 0.000 2.437 167 D HA 0.604 5.246 4.640 0.003 0.000 0.259 167 D C -0.404 175.889 176.300 -0.012 0.000 1.118 167 D CA 0.069 54.049 54.000 -0.033 0.000 1.017 167 D CB 1.658 42.446 40.800 -0.020 0.000 1.120 167 D HN 0.713 nan 8.370 nan 0.000 0.541 168 T N -3.494 111.051 114.554 -0.016 0.000 2.838 168 T HA 0.686 5.038 4.350 0.003 0.000 0.292 168 T C -0.830 173.874 174.700 0.008 0.000 1.113 168 T CA -0.832 61.267 62.100 -0.003 0.000 1.008 168 T CB 0.970 69.832 68.868 -0.010 0.000 1.259 168 T HN 0.048 nan 8.240 nan 0.000 0.520 169 V N 1.560 121.476 119.914 0.004 0.000 2.444 169 V HA 0.567 4.689 4.120 0.003 0.000 0.294 169 V C -0.116 175.953 176.094 -0.042 0.000 1.022 169 V CA -0.789 61.516 62.300 0.009 0.000 0.850 169 V CB 1.615 33.448 31.823 0.016 0.000 0.992 169 V HN 1.060 nan 8.190 nan 0.000 0.426 170 S N 4.242 119.908 115.700 -0.056 0.000 2.499 170 S HA 0.428 4.900 4.470 0.003 0.000 0.279 170 S C -0.129 174.255 174.600 -0.359 0.000 1.219 170 S CA -0.520 57.518 58.200 -0.270 0.000 1.062 170 S CB 0.730 63.766 63.200 -0.274 0.000 0.978 170 S HN 0.755 nan 8.310 nan 0.000 0.489 171 N N 1.849 120.252 118.700 -0.496 0.000 2.442 171 N HA 0.337 5.079 4.740 0.003 0.000 0.274 171 N C -1.150 174.110 175.510 -0.417 0.000 1.002 171 N CA -0.515 52.356 53.050 -0.299 0.000 0.910 171 N CB 0.633 39.060 38.487 -0.100 0.000 1.244 171 N HN 0.458 nan 8.380 nan 0.000 0.492 172 F N 0.740 120.728 119.950 0.064 0.000 2.653 172 F HA 0.126 4.655 4.527 0.004 0.000 0.304 172 F C 2.190 178.021 175.800 0.052 0.000 1.092 172 F CA -0.268 57.765 58.000 0.055 0.000 1.279 172 F CB 0.182 39.215 39.000 0.056 0.000 1.044 172 F HN 0.454 nan 8.300 nan 0.000 0.564 173 S N -0.011 115.796 115.700 0.180 0.000 2.474 173 S HA -0.075 4.397 4.470 0.003 0.000 0.235 173 S C 1.131 175.792 174.600 0.102 0.000 0.997 173 S CA 0.703 58.991 58.200 0.147 0.000 0.949 173 S CB -0.273 63.014 63.200 0.145 0.000 0.766 173 S HN 0.381 nan 8.310 nan 0.000 0.517 174 K N 2.177 122.625 120.400 0.079 0.000 2.826 174 K HA 0.165 4.487 4.320 0.003 0.000 0.206 174 K C -0.080 176.546 176.600 0.044 0.000 1.116 174 K CA 0.005 56.320 56.287 0.046 0.000 1.045 174 K CB 0.865 33.377 32.500 0.019 0.000 0.758 174 K HN 0.524 nan 8.250 nan 0.000 0.465 175 T N -1.285 113.315 114.554 0.076 0.000 2.698 175 T HA 0.170 4.522 4.350 0.003 0.000 0.295 175 T C 1.400 176.130 174.700 0.051 0.000 1.007 175 T CA -0.418 61.728 62.100 0.077 0.000 0.980 175 T CB 1.534 70.483 68.868 0.135 0.000 1.036 175 T HN -0.004 nan 8.240 nan 0.000 0.526 176 K N 0.168 120.595 120.400 0.044 0.000 2.009 176 K HA -0.044 4.278 4.320 0.003 0.000 0.210 176 K C 0.730 177.344 176.600 0.023 0.000 1.049 176 K CA 1.372 57.675 56.287 0.027 0.000 0.929 176 K CB -0.021 32.494 32.500 0.024 0.000 0.714 176 K HN 0.423 nan 8.250 nan 0.000 0.440 177 K N 1.484 121.904 120.400 0.033 0.000 2.530 177 K HA 0.254 4.576 4.320 0.003 0.000 0.230 177 K C -2.650 173.974 176.600 0.039 0.000 1.002 177 K CA -1.853 54.447 56.287 0.023 0.000 1.014 177 K CB 1.793 34.303 32.500 0.016 0.000 1.286 177 K HN -0.029 nan 8.250 nan 0.000 0.480 178 P HA 0.122 nan 4.420 nan 0.000 0.269 178 P C -2.552 174.779 177.300 0.052 0.000 1.215 178 P CA -1.143 61.994 63.100 0.062 0.000 0.780 178 P CB -0.174 31.553 31.700 0.045 0.000 0.898 179 P HA 0.045 nan 4.420 nan 0.000 0.267 179 P C 0.431 177.785 177.300 0.091 0.000 1.200 179 P CA 0.287 63.431 63.100 0.072 0.000 0.772 179 P CB 0.059 31.723 31.700 -0.060 0.000 0.855 180 T N -2.719 111.942 114.554 0.178 0.000 3.182 180 T HA 0.113 4.465 4.350 0.003 0.000 0.277 180 T C 0.459 175.333 174.700 0.289 0.000 1.013 180 T CA -0.251 62.031 62.100 0.303 0.000 0.900 180 T CB -0.607 68.426 68.868 0.275 0.000 1.098 180 T HN 0.556 nan 8.240 nan 0.000 0.543 181 H N 0.736 119.854 119.070 0.079 0.000 2.621 181 H HA 0.733 5.291 4.556 0.004 0.000 0.360 181 H C -0.419 174.879 175.328 -0.050 0.000 1.163 181 H CA -1.468 54.580 56.048 -0.000 0.000 1.194 181 H CB 1.879 31.627 29.762 -0.023 0.000 1.649 181 H HN 0.391 nan 8.280 nan 0.000 0.532 182 I N -0.235 120.253 120.570 -0.137 0.000 2.924 182 I HA 0.580 4.752 4.170 0.003 0.000 0.316 182 I C -0.341 175.729 176.117 -0.079 0.000 1.014 182 I CA -0.930 60.190 61.300 -0.300 0.000 1.106 182 I CB 2.231 39.883 38.000 -0.581 0.000 1.311 182 I HN 0.661 nan 8.210 nan 0.000 0.502 183 T N 0.868 115.374 114.554 -0.080 0.000 2.888 183 T HA 0.741 5.093 4.350 0.003 0.000 0.284 183 T C -0.430 174.313 174.700 0.071 0.000 1.017 183 T CA -0.705 61.447 62.100 0.087 0.000 1.022 183 T CB 1.851 70.821 68.868 0.171 0.000 1.013 183 T HN 0.485 nan 8.240 nan 0.000 0.465 184 V N 1.989 121.993 119.914 0.150 0.000 2.735 184 V HA 0.760 4.882 4.120 0.003 0.000 0.310 184 V C -0.570 175.619 176.094 0.159 0.000 1.061 184 V CA -0.872 61.496 62.300 0.113 0.000 0.913 184 V CB 1.882 33.730 31.823 0.043 0.000 1.005 184 V HN 0.882 nan 8.190 nan 0.000 0.428 185 V N 3.924 123.868 119.914 0.050 0.000 2.656 185 V HA 0.786 4.908 4.120 0.003 0.000 0.307 185 V C -1.525 174.571 176.094 0.004 0.000 1.051 185 V CA -0.226 61.993 62.300 -0.135 0.000 0.893 185 V CB 1.970 33.416 31.823 -0.628 0.000 0.999 185 V HN 1.079 nan 8.190 nan 0.000 0.426 186 H N 5.664 124.659 119.070 -0.125 0.000 3.042 186 H HA 0.448 5.006 4.556 0.003 0.000 0.345 186 H C 0.098 175.287 175.328 -0.232 0.000 1.052 186 H CA -0.422 55.515 56.048 -0.185 0.000 1.311 186 H CB 0.975 30.583 29.762 -0.256 0.000 1.810 186 H HN 0.741 nan 8.280 nan 0.000 0.505 187 N N 4.960 123.264 118.700 -0.659 0.000 2.727 187 N HA -0.246 4.496 4.740 0.003 0.000 0.249 187 N C -0.534 174.654 175.510 -0.537 0.000 1.048 187 N CA 1.428 54.009 53.050 -0.783 0.000 0.714 187 N CB -1.078 36.911 38.487 -0.830 0.000 0.959 187 N HN 0.736 nan 8.380 nan 0.000 0.544 188 Y N -4.207 115.984 120.300 -0.183 0.000 4.929 188 Y HA -0.327 4.225 4.550 0.004 0.000 0.253 188 Y C 0.712 176.532 175.900 -0.132 0.000 0.946 188 Y CA 1.078 59.093 58.100 -0.140 0.000 1.905 188 Y CB -2.329 36.110 38.460 -0.034 0.000 1.400 188 Y HN 0.441 nan 8.280 nan 0.000 0.531 189 Q N 0.147 119.941 119.800 -0.011 0.000 2.256 189 Q HA 0.586 4.928 4.340 0.003 0.000 0.254 189 Q C -0.602 175.378 176.000 -0.033 0.000 0.916 189 Q CA -0.434 55.392 55.803 0.039 0.000 0.932 189 Q CB 0.807 29.583 28.738 0.064 0.000 1.207 189 Q HN 0.156 nan 8.270 nan 0.000 0.426 190 F N 1.967 121.920 119.950 0.004 0.000 2.399 190 F HA 0.526 5.055 4.527 0.003 0.000 0.334 190 F C -0.395 175.248 175.800 -0.261 0.000 1.097 190 F CA -0.460 57.554 58.000 0.023 0.000 1.076 190 F CB 0.815 39.834 39.000 0.032 0.000 1.162 190 F HN 0.400 nan 8.300 nan 0.000 0.495 191 F N 0.477 120.517 119.950 0.151 0.000 2.565 191 F HA 0.295 4.824 4.527 0.003 0.000 0.313 191 F C -0.231 175.595 175.800 0.043 0.000 1.091 191 F CA -1.218 56.815 58.000 0.056 0.000 0.915 191 F CB 1.865 40.878 39.000 0.022 0.000 1.208 191 F HN 0.369 nan 8.300 nan 0.000 0.453 192 E N 3.113 123.397 120.200 0.140 0.000 2.089 192 E HA 0.416 4.768 4.350 0.003 0.000 0.284 192 E C -1.603 175.046 176.600 0.082 0.000 1.023 192 E CA -0.696 55.744 56.400 0.067 0.000 0.819 192 E CB 0.901 30.525 29.700 -0.127 0.000 1.076 192 E HN 0.537 nan 8.360 nan 0.000 0.396 193 L N 5.727 127.007 121.223 0.095 0.000 2.277 193 L HA 0.357 4.699 4.340 0.003 0.000 0.284 193 L C -1.046 175.847 176.870 0.039 0.000 1.028 193 L CA -0.523 54.339 54.840 0.037 0.000 0.835 193 L CB 1.123 43.171 42.059 -0.018 0.000 1.215 193 L HN 0.494 nan 8.230 nan 0.000 0.425 194 D N 3.687 124.105 120.400 0.029 0.000 2.383 194 D HA 0.139 4.781 4.640 0.003 0.000 0.252 194 D C 0.924 177.199 176.300 -0.042 0.000 1.166 194 D CA 0.321 54.346 54.000 0.042 0.000 0.879 194 D CB 1.776 42.598 40.800 0.037 0.000 1.164 194 D HN 0.487 nan 8.370 nan 0.000 0.462 195 V N 0.520 120.388 119.914 -0.077 0.000 3.276 195 V HA 0.312 4.434 4.120 0.003 0.000 0.319 195 V C -0.511 175.283 176.094 -0.501 0.000 1.427 195 V CA -0.264 61.866 62.300 -0.283 0.000 1.102 195 V CB -0.847 30.774 31.823 -0.337 0.000 1.020 195 V HN 0.251 nan 8.190 nan 0.000 0.456 196 Y N 0.080 120.311 120.300 -0.116 0.000 2.462 196 Y HA 0.686 5.238 4.550 0.003 0.000 0.346 196 Y C 0.767 176.574 175.900 -0.155 0.000 0.976 196 Y CA -1.092 56.933 58.100 -0.124 0.000 1.044 196 Y CB 1.297 39.743 38.460 -0.024 0.000 1.230 196 Y HN 0.131 nan 8.280 nan 0.000 0.455 197 H N 0.259 119.439 119.070 0.183 0.000 2.597 197 H HA 0.101 4.660 4.556 0.004 0.000 0.370 197 H C 0.824 176.215 175.328 0.104 0.000 1.281 197 H CA 0.580 56.694 56.048 0.111 0.000 1.422 197 H CB 1.008 30.817 29.762 0.079 0.000 1.524 197 H HN 0.752 nan 8.280 nan 0.000 0.607 198 S N 0.504 116.332 115.700 0.212 0.000 2.402 198 S HA -0.226 4.246 4.470 0.003 0.000 0.233 198 S C 1.317 175.977 174.600 0.100 0.000 1.030 198 S CA 1.767 60.038 58.200 0.120 0.000 1.003 198 S CB -0.348 62.904 63.200 0.086 0.000 0.813 198 S HN 0.736 nan 8.310 nan 0.000 0.477 199 D N 0.608 121.081 120.400 0.121 0.000 2.348 199 D HA 0.206 4.848 4.640 0.003 0.000 0.216 199 D C 1.351 177.706 176.300 0.092 0.000 0.970 199 D CA 0.792 54.844 54.000 0.088 0.000 0.889 199 D CB -0.724 40.121 40.800 0.075 0.000 0.912 199 D HN 0.461 nan 8.370 nan 0.000 0.524 200 G N -0.289 108.588 108.800 0.128 0.000 2.175 200 G HA2 -0.254 3.708 3.960 0.003 0.000 0.244 200 G HA3 -0.254 3.708 3.960 0.003 0.000 0.244 200 G C 0.440 175.445 174.900 0.174 0.000 0.982 200 G CA 0.407 45.553 45.100 0.077 0.000 0.641 200 G HN 0.826 nan 8.290 nan 0.000 0.527 201 T N 0.281 114.981 114.554 0.243 0.000 2.889 201 T HA 0.643 4.995 4.350 0.003 0.000 0.291 201 T C -2.062 172.844 174.700 0.344 0.000 0.995 201 T CA -1.458 60.810 62.100 0.280 0.000 1.092 201 T CB 2.493 71.503 68.868 0.237 0.000 0.954 201 T HN 0.161 nan 8.240 nan 0.000 0.506 202 P HA 0.202 nan 4.420 nan 0.000 0.271 202 P C -0.132 177.102 177.300 -0.110 0.000 1.218 202 P CA -0.693 62.377 63.100 -0.051 0.000 0.780 202 P CB 0.455 32.100 31.700 -0.091 0.000 0.901 203 L N 2.163 123.176 121.223 -0.350 0.000 2.499 203 L HA 0.080 4.422 4.340 0.003 0.000 0.281 203 L C 1.703 178.543 176.870 -0.049 0.000 1.234 203 L CA 1.030 55.713 54.840 -0.261 0.000 0.839 203 L CB -0.547 41.348 42.059 -0.275 0.000 1.104 203 L HN 0.513 nan 8.230 nan 0.000 0.500 204 T N -0.651 113.935 114.554 0.054 0.000 2.849 204 T HA 0.484 4.836 4.350 0.003 0.000 0.284 204 T C 1.230 175.953 174.700 0.038 0.000 1.004 204 T CA -0.258 61.879 62.100 0.061 0.000 1.021 204 T CB 1.009 69.925 68.868 0.081 0.000 1.013 204 T HN 0.643 nan 8.240 nan 0.000 0.527 205 A N 1.650 124.498 122.820 0.046 0.000 1.892 205 A HA -0.155 4.167 4.320 0.003 0.000 0.218 205 A C 2.053 179.670 177.584 0.055 0.000 1.188 205 A CA 2.052 54.113 52.037 0.040 0.000 0.631 205 A CB -1.122 17.899 19.000 0.035 0.000 0.822 205 A HN 0.992 nan 8.150 nan 0.000 0.447 206 D N -0.243 120.183 120.400 0.043 0.000 2.144 206 D HA -0.217 4.425 4.640 0.003 0.000 0.199 206 D C 1.930 178.303 176.300 0.120 0.000 0.984 206 D CA 1.557 55.596 54.000 0.065 0.000 0.834 206 D CB -0.614 40.202 40.800 0.027 0.000 0.955 206 D HN 0.710 nan 8.370 nan 0.000 0.465 207 Q N 0.072 119.923 119.800 0.085 0.000 2.123 207 Q HA -0.050 4.293 4.340 0.003 0.000 0.199 207 Q C 2.526 178.552 176.000 0.043 0.000 0.966 207 Q CA 0.494 56.341 55.803 0.074 0.000 0.845 207 Q CB 0.146 28.933 28.738 0.082 0.000 0.907 207 Q HN 0.298 nan 8.270 nan 0.000 0.439 208 I N 0.488 121.075 120.570 0.028 0.000 2.226 208 I HA -0.256 3.916 4.170 0.003 0.000 0.245 208 I C 2.251 178.380 176.117 0.021 0.000 1.100 208 I CA 1.356 62.652 61.300 -0.006 0.000 1.374 208 I CB -1.009 36.978 38.000 -0.023 0.000 1.057 208 I HN 0.186 nan 8.210 nan 0.000 0.413 209 F N 1.715 121.624 119.950 -0.068 0.000 2.095 209 F HA -0.222 4.307 4.527 0.003 0.000 0.298 209 F C 2.527 178.281 175.800 -0.076 0.000 1.104 209 F CA 1.627 59.579 58.000 -0.080 0.000 1.232 209 F CB -0.362 38.594 39.000 -0.074 0.000 0.987 209 F HN -0.216 nan 8.300 nan 0.000 0.475 210 V N 0.691 120.609 119.914 0.007 0.000 2.332 210 V HA -0.318 3.804 4.120 0.003 0.000 0.248 210 V C 2.445 178.434 176.094 -0.174 0.000 1.055 210 V CA 2.116 64.360 62.300 -0.094 0.000 1.038 210 V CB -0.655 31.193 31.823 0.043 0.000 0.651 210 V HN 0.423 nan 8.190 nan 0.000 0.450 211 Q N -0.672 119.055 119.800 -0.121 0.000 2.119 211 Q HA -0.079 4.263 4.340 0.003 0.000 0.201 211 Q C 2.236 178.123 176.000 -0.188 0.000 0.972 211 Q CA 1.361 57.090 55.803 -0.123 0.000 0.847 211 Q CB -0.348 28.340 28.738 -0.083 0.000 0.903 211 Q HN 0.547 nan 8.270 nan 0.000 0.433 212 L N 0.624 121.705 121.223 -0.237 0.000 2.201 212 L HA -0.157 4.185 4.340 0.003 0.000 0.212 212 L C 2.199 178.893 176.870 -0.292 0.000 1.105 212 L CA 0.926 55.614 54.840 -0.254 0.000 0.775 212 L CB -0.247 41.667 42.059 -0.242 0.000 0.913 212 L HN 0.234 nan 8.230 nan 0.000 0.440 213 E N 0.162 120.115 120.200 -0.412 0.000 2.106 213 E HA -0.201 4.151 4.350 0.003 0.000 0.192 213 E C 2.117 178.614 176.600 -0.172 0.000 0.984 213 E CA 0.893 57.077 56.400 -0.361 0.000 0.806 213 E CB 0.063 29.477 29.700 -0.475 0.000 0.750 213 E HN 0.450 nan 8.360 nan 0.000 0.458 214 K N 0.641 120.936 120.400 -0.175 0.000 2.026 214 K HA -0.129 4.193 4.320 0.003 0.000 0.208 214 K C 2.161 178.647 176.600 -0.190 0.000 1.048 214 K CA 1.085 57.297 56.287 -0.125 0.000 0.929 214 K CB -0.142 32.297 32.500 -0.100 0.000 0.713 214 K HN 0.097 nan 8.250 nan 0.000 0.439 215 I N 0.215 120.595 120.570 -0.317 0.000 2.226 215 I HA -0.288 3.884 4.170 0.003 0.000 0.245 215 I C 2.365 178.181 176.117 -0.502 0.000 1.100 215 I CA 1.010 61.884 61.300 -0.710 0.000 1.374 215 I CB -0.261 37.324 38.000 -0.693 0.000 1.057 215 I HN 0.430 nan 8.210 nan 0.000 0.413 216 W N 2.214 123.272 121.300 -0.403 0.000 2.333 216 W HA -0.240 4.422 4.660 0.003 0.000 0.316 216 W C 2.160 178.624 176.519 -0.091 0.000 1.215 216 W CA 1.641 58.827 57.345 -0.265 0.000 1.278 216 W CB -0.501 28.767 29.460 -0.321 0.000 1.154 216 W HN 0.192 nan 8.180 nan 0.000 0.486 217 N N 0.177 118.971 118.700 0.157 0.000 2.381 217 N HA -0.106 4.636 4.740 0.003 0.000 0.182 217 N C 1.594 177.129 175.510 0.041 0.000 1.025 217 N CA 1.507 54.625 53.050 0.114 0.000 0.888 217 N CB -0.499 38.035 38.487 0.078 0.000 0.965 217 N HN -0.010 nan 8.380 nan 0.000 0.438 218 S N -0.758 114.943 115.700 0.001 0.000 2.575 218 S HA 0.050 4.522 4.470 0.003 0.000 0.215 218 S C 0.941 175.658 174.600 0.196 0.000 0.966 218 S CA 0.023 58.282 58.200 0.098 0.000 0.911 218 S CB 0.207 63.500 63.200 0.154 0.000 0.780 218 S HN 0.395 nan 8.310 nan 0.000 0.514 219 S N 0.298 116.036 115.700 0.064 0.000 2.901 219 S HA 0.379 4.851 4.470 0.003 0.000 0.248 219 S C 0.719 175.187 174.600 -0.220 0.000 1.021 219 S CA -0.434 57.791 58.200 0.041 0.000 1.090 219 S CB -0.566 62.744 63.200 0.183 0.000 1.039 219 S HN 0.260 nan 8.310 nan 0.000 0.514 220 L N 0.192 121.318 121.223 -0.161 0.000 2.291 220 L HA 0.065 4.407 4.340 0.003 0.000 0.214 220 L C 0.570 177.313 176.870 -0.212 0.000 1.120 220 L CA 0.536 55.246 54.840 -0.216 0.000 0.799 220 L CB -0.490 41.523 42.059 -0.076 0.000 0.925 220 L HN 0.357 nan 8.230 nan 0.000 0.446 221 Q N 0.147 119.855 119.800 -0.152 0.000 2.330 221 Q HA 0.015 4.357 4.340 0.003 0.000 0.279 221 Q C 1.102 176.991 176.000 -0.186 0.000 1.024 221 Q CA 0.652 56.383 55.803 -0.119 0.000 0.900 221 Q CB 0.339 29.040 28.738 -0.062 0.000 1.221 221 Q HN 0.159 nan 8.270 nan 0.000 0.396 222 T N -2.812 111.648 114.554 -0.157 0.000 3.054 222 T HA 0.062 4.414 4.350 0.003 0.000 0.255 222 T C 0.328 174.965 174.700 -0.106 0.000 1.035 222 T CA -0.143 61.836 62.100 -0.202 0.000 0.941 222 T CB -0.046 68.719 68.868 -0.172 0.000 1.026 222 T HN 0.579 nan 8.240 nan 0.000 0.533 223 N N 0.977 119.651 118.700 -0.042 0.000 2.458 223 N HA 0.183 4.925 4.740 0.003 0.000 0.274 223 N C -0.378 175.162 175.510 0.049 0.000 1.242 223 N CA -0.605 52.455 53.050 0.018 0.000 0.904 223 N CB 0.236 38.730 38.487 0.013 0.000 1.206 223 N HN 0.189 nan 8.380 nan 0.000 0.510 224 K N 0.639 121.080 120.400 0.069 0.000 2.118 224 K HA 0.199 4.522 4.320 0.003 0.000 0.267 224 K C 0.106 176.820 176.600 0.190 0.000 0.991 224 K CA -0.524 55.830 56.287 0.112 0.000 0.916 224 K CB 1.546 34.103 32.500 0.097 0.000 1.041 224 K HN 0.222 nan 8.250 nan 0.000 0.455 225 E N 3.199 123.483 120.200 0.139 0.000 2.384 225 E HA 0.050 4.402 4.350 0.003 0.000 0.266 225 E C -2.041 174.607 176.600 0.080 0.000 1.012 225 E CA -1.520 54.937 56.400 0.094 0.000 0.901 225 E CB 0.446 30.177 29.700 0.050 0.000 0.967 225 E HN 0.227 nan 8.360 nan 0.000 0.435 226 P HA 0.080 nan 4.420 nan 0.000 0.225 226 P C 0.909 178.104 177.300 -0.176 0.000 1.830 226 P CA -0.064 62.853 63.100 -0.305 0.000 1.051 226 P CB 0.159 31.306 31.700 -0.922 0.000 1.929 227 V N 2.536 122.397 119.914 -0.089 0.000 2.370 227 V HA -0.247 3.875 4.120 0.003 0.000 0.252 227 V C 2.738 178.750 176.094 -0.138 0.000 1.068 227 V CA 2.762 64.946 62.300 -0.194 0.000 1.061 227 V CB -1.564 29.915 31.823 -0.574 0.000 0.656 227 V HN 0.451 nan 8.190 nan 0.000 0.455 228 G N -0.788 108.069 108.800 0.096 0.000 2.448 228 G HA2 -0.259 3.703 3.960 0.003 0.000 0.219 228 G HA3 -0.259 3.703 3.960 0.003 0.000 0.219 228 G C 1.582 176.359 174.900 -0.205 0.000 1.127 228 G CA 0.798 45.978 45.100 0.133 0.000 0.766 228 G HN 0.544 nan 8.290 nan 0.000 0.552 229 I N 0.401 120.854 120.570 -0.195 0.000 2.700 229 I HA -0.043 4.129 4.170 0.003 0.000 0.261 229 I C 2.301 178.218 176.117 -0.335 0.000 1.219 229 I CA 0.374 61.556 61.300 -0.198 0.000 1.463 229 I CB 0.088 37.974 38.000 -0.190 0.000 1.092 229 I HN 0.129 nan 8.210 nan 0.000 0.452 230 L N 0.114 121.047 121.223 -0.484 0.000 2.261 230 L HA -0.194 4.148 4.340 0.003 0.000 0.216 230 L C 2.386 178.497 176.870 -1.265 0.000 1.114 230 L CA 1.704 56.137 54.840 -0.678 0.000 0.777 230 L CB -1.147 40.536 42.059 -0.627 0.000 0.910 230 L HN 0.428 nan 8.230 nan 0.000 0.440 231 T N -4.391 109.334 114.554 -1.382 0.000 3.160 231 T HA -0.039 4.313 4.350 0.003 0.000 0.257 231 T C 1.675 175.971 174.700 -0.673 0.000 1.147 231 T CA 0.699 61.889 62.100 -1.516 0.000 1.064 231 T CB -0.199 67.979 68.868 -1.151 0.000 0.949 231 T HN 0.405 nan 8.240 nan 0.000 0.526 232 S N -0.029 115.399 115.700 -0.454 0.000 2.575 232 S HA 0.197 4.669 4.470 0.003 0.000 0.215 232 S C 0.692 175.125 174.600 -0.278 0.000 0.966 232 S CA -0.698 57.276 58.200 -0.378 0.000 0.911 232 S CB -0.365 62.639 63.200 -0.328 0.000 0.780 232 S HN 0.384 nan 8.310 nan 0.000 0.514 233 N N 1.985 120.545 118.700 -0.234 0.000 2.434 233 N HA 0.107 4.849 4.740 0.003 0.000 0.266 233 N C -0.400 175.127 175.510 0.027 0.000 1.223 233 N CA -0.390 52.619 53.050 -0.068 0.000 0.972 233 N CB 0.238 38.723 38.487 -0.003 0.000 1.207 233 N HN 0.349 nan 8.380 nan 0.000 0.525 234 H N 1.705 120.764 119.070 -0.018 0.000 3.092 234 H HA -0.040 4.518 4.556 0.003 0.000 0.332 234 H C 0.822 176.170 175.328 0.032 0.000 1.029 234 H CA 0.553 56.590 56.048 -0.018 0.000 1.376 234 H CB 0.826 30.567 29.762 -0.036 0.000 1.329 234 H HN 0.427 nan 8.280 nan 0.000 0.598 235 R N 3.719 124.094 120.500 -0.209 0.000 2.148 235 R HA -0.087 4.255 4.340 0.003 0.000 0.227 235 R C 1.683 178.031 176.300 0.081 0.000 1.103 235 R CA 0.626 56.712 56.100 -0.022 0.000 0.983 235 R CB -0.340 29.884 30.300 -0.126 0.000 0.874 235 R HN 0.696 nan 8.270 nan 0.000 0.451 236 N N 0.295 119.135 118.700 0.232 0.000 2.216 236 N HA -0.049 4.693 4.740 0.003 0.000 0.183 236 N C 1.536 177.137 175.510 0.153 0.000 1.017 236 N CA 1.051 54.212 53.050 0.185 0.000 0.861 236 N CB 0.080 38.688 38.487 0.202 0.000 0.986 236 N HN 0.090 nan 8.380 nan 0.000 0.428 237 S N 0.796 116.622 115.700 0.210 0.000 2.348 237 S HA -0.143 4.329 4.470 0.003 0.000 0.221 237 S C 1.471 176.210 174.600 0.232 0.000 1.033 237 S CA 0.695 58.989 58.200 0.157 0.000 1.010 237 S CB -0.531 62.749 63.200 0.133 0.000 0.891 237 S HN 0.554 nan 8.310 nan 0.000 0.442 238 W N 2.252 123.563 121.300 0.018 0.000 2.350 238 W HA -0.194 4.468 4.660 0.003 0.000 0.289 238 W C 2.276 178.815 176.519 0.033 0.000 1.215 238 W CA 0.783 58.125 57.345 -0.005 0.000 1.236 238 W CB -0.189 29.233 29.460 -0.064 0.000 1.130 238 W HN 0.358 nan 8.180 nan 0.000 0.541 239 A N 0.702 123.465 122.820 -0.095 0.000 1.969 239 A HA -0.237 4.085 4.320 0.003 0.000 0.218 239 A C 2.004 179.523 177.584 -0.109 0.000 1.169 239 A CA 1.834 53.722 52.037 -0.247 0.000 0.635 239 A CB -0.800 18.117 19.000 -0.139 0.000 0.810 239 A HN 0.378 nan 8.150 nan 0.000 0.445 240 K N -0.317 120.079 120.400 -0.008 0.000 2.044 240 K HA 0.037 4.359 4.320 0.003 0.000 0.204 240 K C 2.137 178.765 176.600 0.048 0.000 1.049 240 K CA 1.040 57.340 56.287 0.022 0.000 0.945 240 K CB -0.305 32.218 32.500 0.038 0.000 0.724 240 K HN 0.309 nan 8.250 nan 0.000 0.440 241 A N 0.515 123.413 122.820 0.129 0.000 1.972 241 A HA -0.185 4.137 4.320 0.003 0.000 0.219 241 A C 2.007 179.688 177.584 0.161 0.000 1.169 241 A CA 1.207 53.367 52.037 0.205 0.000 0.635 241 A CB -0.806 18.423 19.000 0.382 0.000 0.810 241 A HN 0.578 nan 8.150 nan 0.000 0.446 242 Y N 1.609 121.737 120.300 -0.286 0.000 2.097 242 Y HA -0.265 4.287 4.550 0.004 0.000 0.282 242 Y C 2.365 178.151 175.900 -0.189 0.000 1.152 242 Y CA 2.188 59.950 58.100 -0.564 0.000 1.136 242 Y CB -0.352 37.415 38.460 -1.155 0.000 0.975 242 Y HN 0.524 nan 8.280 nan 0.000 0.498 243 N N -0.966 117.670 118.700 -0.106 0.000 2.244 243 N HA -0.170 4.572 4.740 0.003 0.000 0.183 243 N C 1.515 176.968 175.510 -0.096 0.000 1.016 243 N CA 1.875 54.852 53.050 -0.122 0.000 0.866 243 N CB -0.218 38.254 38.487 -0.025 0.000 0.980 243 N HN 0.408 nan 8.380 nan 0.000 0.430 244 T N 1.760 116.292 114.554 -0.038 0.000 2.708 244 T HA -0.120 4.232 4.350 0.003 0.000 0.266 244 T C 1.931 176.626 174.700 -0.008 0.000 1.037 244 T CA 0.988 63.084 62.100 -0.006 0.000 1.146 244 T CB -0.324 68.561 68.868 0.028 0.000 0.865 244 T HN 0.170 nan 8.240 nan 0.000 0.435 245 L N 1.915 123.139 121.223 0.001 0.000 2.042 245 L HA 0.043 4.385 4.340 0.003 0.000 0.210 245 L C 1.889 178.769 176.870 0.017 0.000 1.076 245 L CA 1.612 56.482 54.840 0.050 0.000 0.749 245 L CB -0.514 41.625 42.059 0.133 0.000 0.893 245 L HN 0.493 nan 8.230 nan 0.000 0.432 246 I N -4.785 115.716 120.570 -0.115 0.000 3.861 246 I HA 0.073 4.245 4.170 0.003 0.000 0.329 246 I C 1.617 177.684 176.117 -0.083 0.000 1.321 246 I CA 0.006 61.232 61.300 -0.122 0.000 1.126 246 I CB -0.442 37.383 38.000 -0.291 0.000 1.018 246 I HN 0.079 nan 8.210 nan 0.000 0.407 247 K N 1.574 121.942 120.400 -0.053 0.000 2.057 247 K HA -0.146 4.176 4.320 0.003 0.000 0.207 247 K C 0.443 177.031 176.600 -0.020 0.000 1.049 247 K CA 1.383 57.650 56.287 -0.032 0.000 0.931 247 K CB -0.348 32.142 32.500 -0.017 0.000 0.714 247 K HN 0.490 nan 8.250 nan 0.000 0.440 248 D N 1.007 121.404 120.400 -0.005 0.000 2.348 248 D HA -0.026 4.616 4.640 0.003 0.000 0.253 248 D C 1.070 177.358 176.300 -0.020 0.000 1.161 248 D CA -0.112 53.886 54.000 -0.003 0.000 0.876 248 D CB 0.937 41.748 40.800 0.020 0.000 1.160 248 D HN -0.224 nan 8.370 nan 0.000 0.459 249 K N 2.837 123.219 120.400 -0.030 0.000 2.052 249 K HA -0.162 4.160 4.320 0.003 0.000 0.215 249 K C 1.643 178.202 176.600 -0.068 0.000 1.053 249 K CA 1.251 57.511 56.287 -0.045 0.000 0.934 249 K CB -0.540 31.936 32.500 -0.040 0.000 0.717 249 K HN 0.457 nan 8.250 nan 0.000 0.450 250 V N 1.807 121.677 119.914 -0.074 0.000 2.307 250 V HA -0.251 3.871 4.120 0.003 0.000 0.245 250 V C 2.026 178.015 176.094 -0.175 0.000 1.045 250 V CA 1.892 64.118 62.300 -0.123 0.000 1.024 250 V CB -0.578 31.175 31.823 -0.117 0.000 0.651 250 V HN 0.330 nan 8.190 nan 0.000 0.449 251 N N 0.219 118.862 118.700 -0.096 0.000 2.069 251 N HA -0.204 4.538 4.740 0.003 0.000 0.191 251 N C 1.924 177.405 175.510 -0.049 0.000 1.031 251 N CA 1.670 54.700 53.050 -0.033 0.000 0.852 251 N CB -0.466 38.125 38.487 0.174 0.000 1.018 251 N HN 0.427 nan 8.380 nan 0.000 0.423 252 R N 0.765 121.233 120.500 -0.053 0.000 2.080 252 R HA -0.108 4.234 4.340 0.003 0.000 0.236 252 R C 1.089 177.329 176.300 -0.099 0.000 1.137 252 R CA 1.670 57.731 56.100 -0.065 0.000 0.943 252 R CB -0.092 30.172 30.300 -0.061 0.000 0.846 252 R HN 0.155 nan 8.270 nan 0.000 0.431 253 D N -0.296 120.026 120.400 -0.130 0.000 2.149 253 D HA -0.125 4.517 4.640 0.003 0.000 0.198 253 D C 1.942 178.108 176.300 -0.223 0.000 0.990 253 D CA 1.404 55.309 54.000 -0.158 0.000 0.839 253 D CB -0.217 40.487 40.800 -0.160 0.000 0.948 253 D HN 0.171 nan 8.370 nan 0.000 0.460 254 S N -0.119 115.390 115.700 -0.317 0.000 2.355 254 S HA -0.095 4.377 4.470 0.003 0.000 0.222 254 S C 2.356 176.727 174.600 -0.381 0.000 1.031 254 S CA 0.529 58.454 58.200 -0.458 0.000 0.993 254 S CB -0.238 62.412 63.200 -0.917 0.000 0.859 254 S HN 0.075 nan 8.310 nan 0.000 0.453 255 V N 2.221 121.992 119.914 -0.239 0.000 2.282 255 V HA -0.237 3.885 4.120 0.003 0.000 0.249 255 V C 2.564 178.543 176.094 -0.192 0.000 1.057 255 V CA 1.757 63.930 62.300 -0.211 0.000 1.032 255 V CB -0.639 31.235 31.823 0.086 0.000 0.645 255 V HN 0.382 nan 8.190 nan 0.000 0.447 256 R N -0.211 120.220 120.500 -0.115 0.000 2.096 256 R HA -0.219 4.123 4.340 0.003 0.000 0.240 256 R C 2.694 178.900 176.300 -0.157 0.000 1.139 256 R CA 1.998 58.035 56.100 -0.104 0.000 0.952 256 R CB -0.714 29.527 30.300 -0.099 0.000 0.854 256 R HN 0.560 nan 8.270 nan 0.000 0.436 257 S N 0.486 116.081 115.700 -0.176 0.000 2.383 257 S HA -0.079 4.393 4.470 0.003 0.000 0.227 257 S C 2.017 176.619 174.600 0.004 0.000 1.026 257 S CA 0.860 58.997 58.200 -0.106 0.000 0.981 257 S CB -0.129 62.935 63.200 -0.227 0.000 0.818 257 S HN 0.239 nan 8.310 nan 0.000 0.472 258 I N 1.206 121.651 120.570 -0.209 0.000 2.179 258 I HA -0.230 3.943 4.170 0.003 0.000 0.242 258 I C 2.852 178.860 176.117 -0.181 0.000 1.088 258 I CA 1.541 62.664 61.300 -0.295 0.000 1.357 258 I CB -0.531 36.978 38.000 -0.819 0.000 1.051 258 I HN 0.419 nan 8.210 nan 0.000 0.409 259 Q N 0.739 120.452 119.800 -0.145 0.000 2.084 259 Q HA -0.192 4.150 4.340 0.003 0.000 0.202 259 Q C 2.107 178.120 176.000 0.023 0.000 0.978 259 Q CA 1.342 57.181 55.803 0.060 0.000 0.844 259 Q CB -0.066 28.781 28.738 0.182 0.000 0.898 259 Q HN 0.462 nan 8.270 nan 0.000 0.426 260 K N 0.892 121.123 120.400 -0.281 0.000 2.366 260 K HA 0.009 4.331 4.320 0.003 0.000 0.198 260 K C 0.846 177.291 176.600 -0.259 0.000 1.044 260 K CA 0.295 56.250 56.287 -0.552 0.000 0.973 260 K CB 0.148 32.279 32.500 -0.616 0.000 0.767 260 K HN 0.144 nan 8.250 nan 0.000 0.475 261 S N 0.508 116.069 115.700 -0.232 0.000 2.568 261 S HA 0.045 4.517 4.470 0.003 0.000 0.282 261 S C 1.293 175.788 174.600 -0.175 0.000 1.338 261 S CA -0.436 57.484 58.200 -0.467 0.000 1.045 261 S CB 0.519 63.575 63.200 -0.240 0.000 0.873 261 S HN 0.086 nan 8.310 nan 0.000 0.516 262 I N 0.781 121.243 120.570 -0.180 0.000 2.163 262 I HA -0.021 4.151 4.170 0.003 0.000 0.243 262 I C 0.666 176.972 176.117 0.315 0.000 1.085 262 I CA 1.401 62.761 61.300 0.101 0.000 1.347 262 I CB -0.358 37.743 38.000 0.169 0.000 1.044 262 I HN 0.798 nan 8.210 nan 0.000 0.408 263 F N -2.811 117.178 119.950 0.066 0.000 2.779 263 F HA 0.569 5.098 4.527 0.004 0.000 0.316 263 F C -0.871 175.017 175.800 0.146 0.000 1.164 263 F CA -1.235 56.850 58.000 0.143 0.000 0.924 263 F CB 0.801 39.938 39.000 0.229 0.000 1.348 263 F HN -0.516 nan 8.300 nan 0.000 0.467 264 T N 1.634 116.371 114.554 0.306 0.000 2.823 264 T HA 0.671 5.023 4.350 0.003 0.000 0.279 264 T C -1.124 173.754 174.700 0.296 0.000 0.998 264 T CA -0.591 61.621 62.100 0.187 0.000 0.994 264 T CB 1.776 70.799 68.868 0.257 0.000 0.960 264 T HN 0.583 nan 8.240 nan 0.000 0.448 265 V N 2.611 122.620 119.914 0.159 0.000 2.384 265 V HA 0.328 4.450 4.120 0.003 0.000 0.287 265 V C -0.118 176.079 176.094 0.172 0.000 1.020 265 V CA -0.871 61.564 62.300 0.225 0.000 0.850 265 V CB 1.200 33.100 31.823 0.129 0.000 0.987 265 V HN 1.040 nan 8.190 nan 0.000 0.436 266 C N 6.460 125.877 119.300 0.195 0.000 2.265 266 C HA 0.537 4.999 4.460 0.003 0.000 0.332 266 C C 0.353 175.442 174.990 0.166 0.000 1.248 266 C CA -0.870 58.235 59.018 0.145 0.000 1.727 266 C CB -0.330 27.487 27.740 0.130 0.000 2.348 266 C HN 0.712 nan 8.230 nan 0.000 0.519 267 L N 3.882 125.195 121.223 0.150 0.000 2.288 267 L HA 0.300 4.642 4.340 0.003 0.000 0.283 267 L C -0.189 176.822 176.870 0.234 0.000 1.072 267 L CA 0.139 55.092 54.840 0.190 0.000 0.862 267 L CB -0.074 42.055 42.059 0.117 0.000 1.245 267 L HN 0.602 nan 8.230 nan 0.000 0.432 268 D N 2.095 122.632 120.400 0.229 0.000 2.264 268 D HA 0.482 5.124 4.640 0.003 0.000 0.249 268 D C 0.156 176.580 176.300 0.206 0.000 1.070 268 D CA 0.016 54.134 54.000 0.196 0.000 0.912 268 D CB 1.769 42.682 40.800 0.189 0.000 1.193 268 D HN 0.518 nan 8.370 nan 0.000 0.427 269 A N 1.418 124.324 122.820 0.143 0.000 2.332 269 A HA 0.465 4.787 4.320 0.003 0.000 0.258 269 A C 0.362 178.037 177.584 0.151 0.000 1.087 269 A CA -0.358 51.758 52.037 0.131 0.000 0.802 269 A CB 0.288 19.317 19.000 0.048 0.000 1.042 269 A HN 0.503 nan 8.150 nan 0.000 0.489 270 T N 3.371 118.018 114.554 0.154 0.000 2.899 270 T HA 0.371 4.723 4.350 0.003 0.000 0.295 270 T C 0.727 175.509 174.700 0.137 0.000 1.033 270 T CA -0.321 61.872 62.100 0.155 0.000 1.084 270 T CB 0.293 69.253 68.868 0.154 0.000 0.979 270 T HN 0.531 nan 8.240 nan 0.000 0.532 271 M N 1.777 121.466 119.600 0.149 0.000 2.157 271 M HA 0.274 4.756 4.480 0.003 0.000 0.304 271 M C -1.721 174.661 176.300 0.138 0.000 1.171 271 M CA -2.012 53.377 55.300 0.147 0.000 1.157 271 M CB -1.261 31.438 32.600 0.165 0.000 1.403 271 M HN 0.363 nan 8.290 nan 0.000 0.473 272 P HA 0.096 nan 4.420 nan 0.000 0.278 272 P C 0.713 178.075 177.300 0.105 0.000 1.268 272 P CA -0.122 63.045 63.100 0.111 0.000 0.813 272 P CB 0.276 32.046 31.700 0.117 0.000 1.180 273 R N -0.670 119.873 120.500 0.071 0.000 2.292 273 R HA -0.140 4.202 4.340 0.003 0.000 0.223 273 R C -0.082 176.235 176.300 0.027 0.000 1.088 273 R CA 1.690 57.813 56.100 0.039 0.000 0.849 273 R CB -1.559 28.754 30.300 0.021 0.000 0.852 273 R HN 0.266 nan 8.270 nan 0.000 0.424 274 V N 0.472 120.376 119.914 -0.018 0.000 3.548 274 V HA -0.230 3.892 4.120 0.003 0.000 0.496 274 V C 1.196 177.239 176.094 -0.084 0.000 0.682 274 V CA 0.748 62.970 62.300 -0.130 0.000 2.033 274 V CB -0.790 30.942 31.823 -0.151 0.000 2.463 274 V HN 0.705 nan 8.190 nan 0.000 0.506 275 S N 2.920 118.560 115.700 -0.099 0.000 2.475 275 S HA -0.341 4.131 4.470 0.003 0.000 0.263 275 S C 1.397 175.969 174.600 -0.046 0.000 1.079 275 S CA 2.386 60.551 58.200 -0.059 0.000 1.029 275 S CB -0.473 62.696 63.200 -0.053 0.000 0.811 275 S HN 1.887 nan 8.310 nan 0.000 0.489 276 E N -0.234 119.941 120.200 -0.042 0.000 4.217 276 E HA -0.251 4.101 4.350 0.003 0.000 0.365 276 E C 0.030 176.623 176.600 -0.011 0.000 0.647 276 E CA 1.372 57.743 56.400 -0.048 0.000 1.399 276 E CB -2.232 27.427 29.700 -0.069 0.000 1.766 276 E HN 0.766 nan 8.360 nan 0.000 0.394 277 D N 0.141 120.545 120.400 0.007 0.000 2.497 277 D HA 0.141 4.784 4.640 0.003 0.000 0.256 277 D C 0.954 177.277 176.300 0.038 0.000 1.273 277 D CA 0.388 54.405 54.000 0.027 0.000 0.812 277 D CB 0.205 41.012 40.800 0.011 0.000 1.190 277 D HN 0.127 nan 8.370 nan 0.000 0.524 278 V N 0.974 120.894 119.914 0.011 0.000 3.380 278 V HA 0.079 4.201 4.120 0.003 0.000 0.307 278 V C 1.432 177.507 176.094 -0.030 0.000 1.434 278 V CA -0.267 62.020 62.300 -0.021 0.000 1.075 278 V CB -0.461 31.290 31.823 -0.121 0.000 0.954 278 V HN 0.107 nan 8.190 nan 0.000 0.444 279 Y N 2.202 122.445 120.300 -0.094 0.000 2.092 279 Y HA -0.228 4.324 4.550 0.004 0.000 0.282 279 Y C 2.670 178.591 175.900 0.035 0.000 1.126 279 Y CA 2.411 60.485 58.100 -0.044 0.000 1.111 279 Y CB -0.158 38.279 38.460 -0.038 0.000 0.987 279 Y HN 0.156 nan 8.280 nan 0.000 0.489 280 R N -0.112 120.391 120.500 0.005 0.000 2.119 280 R HA -0.185 4.157 4.340 0.003 0.000 0.246 280 R C 2.182 178.406 176.300 -0.126 0.000 1.146 280 R CA 2.210 58.260 56.100 -0.084 0.000 0.962 280 R CB -0.460 29.873 30.300 0.054 0.000 0.863 280 R HN 0.401 nan 8.270 nan 0.000 0.442 281 S N -0.990 114.686 115.700 -0.041 0.000 2.436 281 S HA -0.055 4.417 4.470 0.003 0.000 0.228 281 S C 1.494 176.074 174.600 -0.033 0.000 1.014 281 S CA 0.598 58.765 58.200 -0.055 0.000 0.950 281 S CB -0.239 62.980 63.200 0.032 0.000 0.784 281 S HN 0.501 nan 8.310 nan 0.000 0.504 282 H N 0.305 119.276 119.070 -0.166 0.000 2.395 282 H HA 0.056 4.614 4.556 0.003 0.000 0.299 282 H C 2.033 177.232 175.328 -0.216 0.000 1.070 282 H CA 1.230 57.193 56.048 -0.142 0.000 1.356 282 H CB 0.147 29.868 29.762 -0.068 0.000 1.401 282 H HN 0.216 nan 8.280 nan 0.000 0.524 283 V N 1.018 120.797 119.914 -0.225 0.000 2.427 283 V HA -0.212 3.910 4.120 0.003 0.000 0.248 283 V C 2.786 178.763 176.094 -0.195 0.000 1.051 283 V CA 1.334 63.489 62.300 -0.242 0.000 1.048 283 V CB -0.836 30.758 31.823 -0.382 0.000 0.666 283 V HN 0.447 nan 8.190 nan 0.000 0.456 284 A N 0.899 123.534 122.820 -0.307 0.000 1.892 284 A HA -0.171 4.151 4.320 0.003 0.000 0.218 284 A C 2.434 179.677 177.584 -0.567 0.000 1.188 284 A CA 2.208 53.856 52.037 -0.647 0.000 0.631 284 A CB -1.305 17.092 19.000 -1.006 0.000 0.822 284 A HN 0.530 nan 8.150 nan 0.000 0.447 285 G N -1.138 107.387 108.800 -0.459 0.000 2.418 285 G HA2 -0.274 3.688 3.960 0.003 0.000 0.217 285 G HA3 -0.274 3.688 3.960 0.003 0.000 0.217 285 G C 1.610 176.101 174.900 -0.682 0.000 1.158 285 G CA 1.094 45.808 45.100 -0.643 0.000 0.771 285 G HN 0.658 nan 8.290 nan 0.000 0.545 286 Q N -0.649 118.984 119.800 -0.279 0.000 2.096 286 Q HA -0.149 4.193 4.340 0.003 0.000 0.204 286 Q C 2.522 178.501 176.000 -0.035 0.000 0.982 286 Q CA 1.487 57.231 55.803 -0.097 0.000 0.850 286 Q CB -0.154 28.578 28.738 -0.009 0.000 0.901 286 Q HN 0.358 nan 8.270 nan 0.000 0.422 287 M N -0.199 119.403 119.600 0.005 0.000 2.200 287 M HA -0.098 4.384 4.480 0.003 0.000 0.265 287 M C 2.115 178.518 176.300 0.172 0.000 1.066 287 M CA 0.824 56.213 55.300 0.149 0.000 1.127 287 M CB -0.871 31.909 32.600 0.300 0.000 1.379 287 M HN 0.292 nan 8.290 nan 0.000 0.420 288 L N 0.380 121.651 121.223 0.081 0.000 2.068 288 L HA -0.119 4.223 4.340 0.003 0.000 0.204 288 L C 2.346 179.245 176.870 0.048 0.000 1.076 288 L CA 1.771 56.660 54.840 0.081 0.000 0.753 288 L CB -0.451 41.609 42.059 0.002 0.000 0.910 288 L HN 0.532 nan 8.230 nan 0.000 0.439 289 H N -4.638 114.494 119.070 0.105 0.000 3.535 289 H HA 0.415 4.973 4.556 0.003 0.000 0.260 289 H C 1.301 176.749 175.328 0.201 0.000 1.173 289 H CA 0.602 56.673 56.048 0.038 0.000 1.168 289 H CB 0.676 30.361 29.762 -0.128 0.000 1.568 289 H HN 0.228 nan 8.280 nan 0.000 0.602 290 G N 0.740 109.687 108.800 0.245 0.000 2.254 290 G HA2 -0.225 3.737 3.960 0.003 0.000 0.225 290 G HA3 -0.225 3.737 3.960 0.003 0.000 0.225 290 G C 1.292 176.337 174.900 0.241 0.000 1.003 290 G CA 0.665 45.924 45.100 0.265 0.000 0.622 290 G HN 1.345 nan 8.290 nan 0.000 0.507 291 G N -1.020 108.024 108.800 0.408 0.000 2.234 291 G HA2 0.481 4.443 3.960 0.003 0.000 0.235 291 G HA3 0.481 4.443 3.960 0.003 0.000 0.235 291 G C 1.471 176.454 174.900 0.137 0.000 0.997 291 G CA 0.903 46.163 45.100 0.267 0.000 0.623 291 G HN 2.891 nan 8.290 nan 0.000 0.514 292 G N -1.531 107.338 108.800 0.114 0.000 2.345 292 G HA2 0.518 4.480 3.960 0.003 0.000 0.310 292 G HA3 0.518 4.480 3.960 0.003 0.000 0.310 292 G C 0.657 175.583 174.900 0.043 0.000 1.476 292 G CA 0.972 46.093 45.100 0.035 0.000 0.978 292 G HN 1.722 nan 8.290 nan 0.000 0.656 293 S N -0.661 115.039 115.700 -0.000 0.000 2.474 293 S HA -0.045 4.427 4.470 0.003 0.000 0.235 293 S C 1.812 176.421 174.600 0.015 0.000 0.997 293 S CA 1.502 59.687 58.200 -0.026 0.000 0.949 293 S CB -0.112 63.058 63.200 -0.050 0.000 0.766 293 S HN 0.643 nan 8.310 nan 0.000 0.517 294 R N -0.022 120.513 120.500 0.059 0.000 2.254 294 R HA 0.394 4.736 4.340 0.003 0.000 0.195 294 R C 0.998 177.392 176.300 0.156 0.000 0.957 294 R CA 0.210 56.372 56.100 0.103 0.000 1.024 294 R CB -0.040 30.303 30.300 0.073 0.000 0.952 294 R HN 0.406 nan 8.270 nan 0.000 0.484 295 L N -0.246 121.065 121.223 0.147 0.000 2.674 295 L HA 0.212 4.554 4.340 0.003 0.000 0.182 295 L C 0.992 178.007 176.870 0.241 0.000 1.867 295 L CA -0.647 54.293 54.840 0.166 0.000 2.994 295 L CB -0.265 41.876 42.059 0.137 0.000 2.945 295 L HN -0.008 nan 8.230 nan 0.000 0.729 296 N N -0.144 118.680 118.700 0.206 0.000 2.336 296 N HA 0.005 4.747 4.740 0.003 0.000 0.189 296 N C 1.509 177.141 175.510 0.203 0.000 1.113 296 N CA 0.192 53.382 53.050 0.232 0.000 0.858 296 N CB 0.413 39.005 38.487 0.176 0.000 0.970 296 N HN 0.314 nan 8.380 nan 0.000 0.471 297 S N 0.039 115.843 115.700 0.173 0.000 2.440 297 S HA -0.079 4.393 4.470 0.003 0.000 0.238 297 S C 1.857 176.508 174.600 0.084 0.000 1.010 297 S CA 1.070 59.384 58.200 0.190 0.000 0.972 297 S CB -0.114 63.173 63.200 0.146 0.000 0.774 297 S HN 0.503 nan 8.310 nan 0.000 0.501 298 G N 0.717 109.456 108.800 -0.101 0.000 3.042 298 G HA2 0.037 3.999 3.960 0.003 0.000 0.212 298 G HA3 0.037 3.999 3.960 0.003 0.000 0.212 298 G C 0.525 175.386 174.900 -0.065 0.000 1.166 298 G CA -0.411 44.500 45.100 -0.316 0.000 0.767 298 G HN 0.469 nan 8.290 nan 0.000 0.546 299 N N 0.962 119.761 118.700 0.166 0.000 2.878 299 N HA 0.103 4.845 4.740 0.003 0.000 0.282 299 N C -0.401 175.119 175.510 0.016 0.000 1.284 299 N CA -0.015 53.125 53.050 0.151 0.000 1.053 299 N CB -0.071 38.524 38.487 0.180 0.000 1.382 299 N HN 0.098 nan 8.380 nan 0.000 0.529 300 R N 0.178 120.703 120.500 0.041 0.000 2.690 300 R HA 0.170 4.512 4.340 0.003 0.000 0.269 300 R C -1.754 174.685 176.300 0.231 0.000 1.037 300 R CA -0.589 55.467 56.100 -0.074 0.000 0.877 300 R CB 1.034 30.902 30.300 -0.719 0.000 1.255 300 R HN 0.248 nan 8.270 nan 0.000 0.467 301 W N 3.457 124.722 121.300 -0.058 0.000 2.517 301 W HA 0.278 4.940 4.660 0.004 0.000 0.301 301 W C -0.790 175.686 176.519 -0.070 0.000 1.002 301 W CA -0.579 56.769 57.345 0.005 0.000 1.415 301 W CB 0.530 30.054 29.460 0.106 0.000 1.275 301 W HN 0.613 nan 8.180 nan 0.000 0.413 302 F N 1.746 121.590 119.950 -0.177 0.000 2.604 302 F HA -0.090 4.439 4.527 0.004 0.000 0.298 302 F C 1.871 177.648 175.800 -0.038 0.000 1.131 302 F CA 0.968 58.917 58.000 -0.084 0.000 1.457 302 F CB -0.146 38.758 39.000 -0.160 0.000 1.095 302 F HN 0.114 nan 8.300 nan 0.000 0.574 303 D N 0.036 120.471 120.400 0.058 0.000 2.264 303 D HA -0.111 4.531 4.640 0.003 0.000 0.208 303 D C 1.129 177.622 176.300 0.321 0.000 0.966 303 D CA 0.819 54.943 54.000 0.208 0.000 0.864 303 D CB -0.177 40.789 40.800 0.277 0.000 0.933 303 D HN -0.019 nan 8.370 nan 0.000 0.499 304 K N 0.815 121.464 120.400 0.415 0.000 2.447 304 K HA 0.029 4.351 4.320 0.003 0.000 0.281 304 K C 1.016 177.770 176.600 0.257 0.000 1.031 304 K CA 0.245 56.752 56.287 0.367 0.000 1.019 304 K CB 0.491 33.217 32.500 0.377 0.000 0.918 304 K HN -0.217 nan 8.250 nan 0.000 0.476 305 T N 3.403 118.093 114.554 0.226 0.000 2.720 305 T HA -0.126 4.226 4.350 0.003 0.000 0.268 305 T C 0.360 175.162 174.700 0.170 0.000 1.037 305 T CA 1.010 63.219 62.100 0.182 0.000 1.144 305 T CB -0.051 68.909 68.868 0.154 0.000 0.864 305 T HN 0.428 nan 8.240 nan 0.000 0.444 306 L N 1.628 122.959 121.223 0.180 0.000 2.372 306 L HA 0.385 4.727 4.340 0.003 0.000 0.274 306 L C -1.189 175.797 176.870 0.194 0.000 0.988 306 L CA -0.494 54.420 54.840 0.124 0.000 0.833 306 L CB 1.668 43.806 42.059 0.131 0.000 1.236 306 L HN 0.124 nan 8.230 nan 0.000 0.410 307 Q N 4.574 124.428 119.800 0.089 0.000 2.327 307 Q HA 0.412 4.754 4.340 0.003 0.000 0.270 307 Q C -1.345 174.697 176.000 0.070 0.000 1.022 307 Q CA -0.534 55.368 55.803 0.164 0.000 0.773 307 Q CB 2.510 31.317 28.738 0.116 0.000 1.251 307 Q HN 0.409 nan 8.270 nan 0.000 0.457 308 F N 2.117 122.208 119.950 0.234 0.000 2.375 308 F HA 0.435 4.964 4.527 0.004 0.000 0.333 308 F C 0.260 176.174 175.800 0.189 0.000 1.104 308 F CA -0.374 57.743 58.000 0.194 0.000 1.149 308 F CB 0.840 39.966 39.000 0.211 0.000 1.190 308 F HN 0.353 nan 8.300 nan 0.000 0.533 309 I N 3.032 123.814 120.570 0.353 0.000 2.466 309 I HA 0.391 4.563 4.170 0.003 0.000 0.289 309 I C -1.271 175.048 176.117 0.337 0.000 1.026 309 I CA -0.638 60.833 61.300 0.284 0.000 1.078 309 I CB 1.852 39.976 38.000 0.206 0.000 1.249 309 I HN 0.129 nan 8.210 nan 0.000 0.429 310 V N 5.912 126.022 119.914 0.326 0.000 2.376 310 V HA 0.666 4.788 4.120 0.003 0.000 0.287 310 V C 0.309 176.608 176.094 0.342 0.000 1.015 310 V CA -0.552 61.980 62.300 0.387 0.000 0.834 310 V CB 1.340 33.399 31.823 0.394 0.000 1.001 310 V HN 0.808 nan 8.190 nan 0.000 0.428 311 A N 3.143 126.177 122.820 0.356 0.000 2.264 311 A HA 0.563 4.885 4.320 0.003 0.000 0.304 311 A C 1.037 178.864 177.584 0.405 0.000 1.100 311 A CA -0.345 51.881 52.037 0.315 0.000 0.839 311 A CB 0.523 19.665 19.000 0.238 0.000 1.121 311 A HN 0.849 nan 8.150 nan 0.000 0.496 312 E N 0.073 120.480 120.200 0.344 0.000 2.118 312 E HA -0.207 4.145 4.350 0.003 0.000 0.195 312 E C 0.590 177.388 176.600 0.330 0.000 0.992 312 E CA 1.553 58.169 56.400 0.359 0.000 0.804 312 E CB 0.007 29.883 29.700 0.293 0.000 0.741 312 E HN 0.821 nan 8.360 nan 0.000 0.458 313 D N -1.480 119.049 120.400 0.216 0.000 2.340 313 D HA 0.005 4.647 4.640 0.003 0.000 0.220 313 D C 1.267 177.510 176.300 -0.094 0.000 1.039 313 D CA 0.878 54.934 54.000 0.093 0.000 0.866 313 D CB 0.613 41.484 40.800 0.119 0.000 0.913 313 D HN 0.261 nan 8.370 nan 0.000 0.523 314 G N -0.255 108.426 108.800 -0.199 0.000 2.253 314 G HA2 -0.235 3.727 3.960 0.003 0.000 0.209 314 G HA3 -0.235 3.727 3.960 0.003 0.000 0.209 314 G C 0.275 175.010 174.900 -0.276 0.000 0.997 314 G CA 0.029 44.657 45.100 -0.786 0.000 0.640 314 G HN 0.342 nan 8.290 nan 0.000 0.496 315 S N 0.679 116.374 115.700 -0.009 0.000 2.525 315 S HA 0.490 4.962 4.470 0.003 0.000 0.285 315 S C 0.312 175.001 174.600 0.149 0.000 1.283 315 S CA 0.557 58.800 58.200 0.073 0.000 1.072 315 S CB 0.799 64.054 63.200 0.093 0.000 0.867 315 S HN 0.699 nan 8.310 nan 0.000 0.492 316 C N 2.006 121.394 119.300 0.148 0.000 3.080 316 C HA 1.011 5.474 4.460 0.003 0.000 0.307 316 C C 0.857 175.979 174.990 0.221 0.000 1.311 316 C CA -0.213 58.950 59.018 0.242 0.000 1.533 316 C CB 1.481 29.390 27.740 0.280 0.000 1.970 316 C HN 1.074 nan 8.230 nan 0.000 0.467 317 G N 0.226 109.181 108.800 0.259 0.000 2.404 317 G HA2 0.596 4.558 3.960 0.003 0.000 0.253 317 G HA3 0.596 4.558 3.960 0.003 0.000 0.253 317 G C -2.034 172.942 174.900 0.127 0.000 1.253 317 G CA 0.216 45.425 45.100 0.182 0.000 0.917 317 G HN 1.479 nan 8.290 nan 0.000 0.480 318 L N -2.729 118.500 121.223 0.009 0.000 2.765 318 L HA 0.978 5.320 4.340 0.003 0.000 0.263 318 L C -1.046 175.804 176.870 -0.032 0.000 1.068 318 L CA -1.267 53.511 54.840 -0.103 0.000 0.903 318 L CB 1.543 43.347 42.059 -0.426 0.000 1.512 318 L HN 1.446 nan 8.230 nan 0.000 0.404 319 V N 1.001 120.908 119.914 -0.013 0.000 2.733 319 V HA 0.755 4.878 4.120 0.003 0.000 0.306 319 V C -1.718 174.415 176.094 0.066 0.000 1.084 319 V CA -0.228 62.096 62.300 0.039 0.000 0.905 319 V CB 1.896 33.799 31.823 0.134 0.000 1.010 319 V HN 1.067 nan 8.190 nan 0.000 0.424 320 Y N 3.423 123.686 120.300 -0.061 0.000 2.446 320 Y HA 0.756 5.308 4.550 0.003 0.000 0.345 320 Y C -0.297 175.583 175.900 -0.033 0.000 0.984 320 Y CA -1.079 56.975 58.100 -0.076 0.000 1.058 320 Y CB 1.511 39.874 38.460 -0.163 0.000 1.220 320 Y HN 0.631 nan 8.280 nan 0.000 0.455 321 E N 2.684 122.965 120.200 0.134 0.000 2.259 321 E HA 0.006 4.358 4.350 0.003 0.000 0.281 321 E C 0.005 176.652 176.600 0.079 0.000 1.037 321 E CA 0.140 56.579 56.400 0.064 0.000 0.854 321 E CB 0.402 30.170 29.700 0.113 0.000 1.051 321 E HN 0.945 nan 8.360 nan 0.000 0.409 322 H N 3.805 122.757 119.070 -0.196 0.000 2.529 322 H HA 0.099 4.658 4.556 0.004 0.000 0.277 322 H C 1.451 176.396 175.328 -0.638 0.000 0.999 322 H CA 1.126 56.988 56.048 -0.310 0.000 1.256 322 H CB 0.327 29.825 29.762 -0.440 0.000 1.402 322 H HN 0.593 nan 8.280 nan 0.000 0.566 323 A N 0.376 122.928 122.820 -0.447 0.000 1.948 323 A HA -0.105 4.217 4.320 0.003 0.000 0.220 323 A C 2.271 179.709 177.584 -0.244 0.000 1.177 323 A CA 2.080 53.802 52.037 -0.525 0.000 0.636 323 A CB -0.538 18.393 19.000 -0.115 0.000 0.815 323 A HN 0.439 nan 8.150 nan 0.000 0.449 324 A N -2.565 120.207 122.820 -0.080 0.000 2.545 324 A HA 0.719 5.041 4.320 0.003 0.000 0.263 324 A C 0.745 178.340 177.584 0.019 0.000 1.202 324 A CA 0.769 52.809 52.037 0.005 0.000 0.959 324 A CB -0.196 18.815 19.000 0.018 0.000 1.124 324 A HN 1.090 nan 8.150 nan 0.000 0.543 325 A N -0.153 122.696 122.820 0.048 0.000 2.350 325 A HA 0.819 5.141 4.320 0.003 0.000 0.318 325 A C -0.657 176.992 177.584 0.108 0.000 1.132 325 A CA -0.506 51.526 52.037 -0.007 0.000 0.811 325 A CB 1.124 20.060 19.000 -0.106 0.000 1.313 325 A HN 0.128 nan 8.150 nan 0.000 0.454 326 E N -0.564 119.584 120.200 -0.086 0.000 2.410 326 E HA 0.433 4.785 4.350 0.003 0.000 0.269 326 E C 1.027 177.473 176.600 -0.257 0.000 0.937 326 E CA -0.162 56.234 56.400 -0.007 0.000 0.793 326 E CB 1.418 31.139 29.700 0.035 0.000 1.314 326 E HN 0.682 nan 8.360 nan 0.000 0.447 327 G N 1.304 110.047 108.800 -0.095 0.000 2.511 327 G HA2 -0.174 3.788 3.960 0.003 0.000 0.216 327 G HA3 -0.174 3.788 3.960 0.003 0.000 0.216 327 G C -1.102 173.681 174.900 -0.196 0.000 1.218 327 G CA 0.935 45.953 45.100 -0.138 0.000 0.788 327 G HN 0.352 nan 8.290 nan 0.000 0.560 328 P HA -0.069 nan 4.420 nan 0.000 0.215 328 P C -1.296 175.924 177.300 -0.133 0.000 1.157 328 P CA 2.024 65.067 63.100 -0.094 0.000 0.874 328 P CB -0.748 30.921 31.700 -0.052 0.000 0.790 329 P HA -0.142 nan 4.420 nan 0.000 0.215 329 P C 1.544 178.675 177.300 -0.282 0.000 1.153 329 P CA 1.229 64.063 63.100 -0.443 0.000 0.853 329 P CB -0.571 30.594 31.700 -0.891 0.000 0.788 330 I N -0.501 119.830 120.570 -0.399 0.000 2.163 330 I HA -0.165 4.008 4.170 0.003 0.000 0.243 330 I C 2.212 178.183 176.117 -0.244 0.000 1.085 330 I CA 1.907 62.963 61.300 -0.406 0.000 1.347 330 I CB -1.646 35.921 38.000 -0.721 0.000 1.044 330 I HN -0.054 nan 8.210 nan 0.000 0.408 331 V N -2.829 116.979 119.914 -0.176 0.000 3.217 331 V HA -0.062 4.060 4.120 0.003 0.000 0.264 331 V C 2.248 178.318 176.094 -0.039 0.000 1.135 331 V CA 1.290 63.535 62.300 -0.092 0.000 1.142 331 V CB -1.230 30.557 31.823 -0.059 0.000 0.754 331 V HN 0.249 nan 8.190 nan 0.000 0.484 332 T N 1.478 116.032 114.554 -0.000 0.000 2.674 332 T HA -0.109 4.243 4.350 0.003 0.000 0.265 332 T C 1.835 176.500 174.700 -0.058 0.000 1.039 332 T CA 2.104 64.245 62.100 0.068 0.000 1.150 332 T CB -0.385 68.634 68.868 0.252 0.000 0.864 332 T HN 0.428 nan 8.240 nan 0.000 0.427 333 L N 1.467 122.560 121.223 -0.216 0.000 1.997 333 L HA -0.076 4.266 4.340 0.003 0.000 0.216 333 L C 2.231 178.918 176.870 -0.306 0.000 1.074 333 L CA 1.748 56.196 54.840 -0.654 0.000 0.763 333 L CB -1.334 40.407 42.059 -0.530 0.000 0.890 333 L HN 0.225 nan 8.230 nan 0.000 0.434 334 L N -0.295 120.854 121.223 -0.123 0.000 2.042 334 L HA -0.210 4.132 4.340 0.003 0.000 0.210 334 L C 2.163 179.055 176.870 0.037 0.000 1.076 334 L CA 1.918 56.766 54.840 0.013 0.000 0.749 334 L CB -1.079 40.986 42.059 0.011 0.000 0.893 334 L HN 0.347 nan 8.230 nan 0.000 0.432 335 D N -1.625 118.790 120.400 0.025 0.000 2.097 335 D HA -0.259 4.383 4.640 0.003 0.000 0.195 335 D C 2.018 178.363 176.300 0.074 0.000 0.989 335 D CA 1.624 55.658 54.000 0.056 0.000 0.827 335 D CB -0.325 40.513 40.800 0.063 0.000 0.966 335 D HN 0.475 nan 8.370 nan 0.000 0.456 336 Y N 1.504 121.772 120.300 -0.052 0.000 2.097 336 Y HA -0.260 4.292 4.550 0.003 0.000 0.282 336 Y C 2.326 178.237 175.900 0.018 0.000 1.152 336 Y CA 1.363 59.461 58.100 -0.002 0.000 1.136 336 Y CB -0.353 38.088 38.460 -0.031 0.000 0.975 336 Y HN -0.211 nan 8.280 nan 0.000 0.498 337 V N 0.417 120.390 119.914 0.099 0.000 2.332 337 V HA -0.347 3.775 4.120 0.003 0.000 0.248 337 V C 2.329 178.443 176.094 0.034 0.000 1.055 337 V CA 1.841 64.158 62.300 0.028 0.000 1.038 337 V CB -0.662 31.118 31.823 -0.071 0.000 0.651 337 V HN 0.447 nan 8.190 nan 0.000 0.450 338 I N -0.140 120.466 120.570 0.060 0.000 2.252 338 I HA -0.174 3.998 4.170 0.003 0.000 0.245 338 I C 2.605 178.758 176.117 0.059 0.000 1.102 338 I CA 1.569 62.929 61.300 0.099 0.000 1.385 338 I CB -1.166 36.910 38.000 0.128 0.000 1.064 338 I HN 0.446 nan 8.210 nan 0.000 0.414 339 E N 0.596 120.797 120.200 0.003 0.000 2.110 339 E HA -0.276 4.076 4.350 0.003 0.000 0.193 339 E C 2.289 178.842 176.600 -0.079 0.000 0.988 339 E CA 1.151 57.525 56.400 -0.043 0.000 0.804 339 E CB -0.295 29.361 29.700 -0.073 0.000 0.745 339 E HN 0.520 nan 8.360 nan 0.000 0.458 340 Y N 1.783 121.932 120.300 -0.251 0.000 2.165 340 Y HA -0.257 4.295 4.550 0.003 0.000 0.286 340 Y C 2.567 178.405 175.900 -0.104 0.000 1.155 340 Y CA 2.809 60.778 58.100 -0.218 0.000 1.164 340 Y CB -0.650 37.677 38.460 -0.222 0.000 0.978 340 Y HN 0.154 nan 8.280 nan 0.000 0.513 341 T N -2.230 112.373 114.554 0.082 0.000 2.977 341 T HA -0.166 4.186 4.350 0.003 0.000 0.271 341 T C 1.305 175.990 174.700 -0.025 0.000 1.105 341 T CA 1.623 63.752 62.100 0.049 0.000 1.116 341 T CB -0.350 68.584 68.868 0.110 0.000 0.878 341 T HN 0.382 nan 8.240 nan 0.000 0.509 342 K N 0.363 120.731 120.400 -0.053 0.000 2.374 342 K HA 0.282 4.604 4.320 0.003 0.000 0.196 342 K C 0.489 177.016 176.600 -0.121 0.000 1.023 342 K CA -0.037 56.217 56.287 -0.055 0.000 1.103 342 K CB 0.479 32.967 32.500 -0.020 0.000 0.848 342 K HN 0.323 nan 8.250 nan 0.000 0.528 343 K N 1.790 122.053 120.400 -0.229 0.000 2.154 343 K HA 0.206 4.528 4.320 0.003 0.000 0.264 343 K C -2.466 173.991 176.600 -0.238 0.000 1.008 343 K CA -1.972 54.166 56.287 -0.249 0.000 0.937 343 K CB 0.337 32.628 32.500 -0.348 0.000 1.002 343 K HN -0.186 nan 8.250 nan 0.000 0.469 344 P HA 0.004 nan 4.420 nan 0.000 0.268 344 P C -0.752 176.466 177.300 -0.136 0.000 1.204 344 P CA -0.123 62.904 63.100 -0.122 0.000 0.768 344 P CB 0.553 32.204 31.700 -0.082 0.000 0.842 345 E N 1.910 122.047 120.200 -0.105 0.000 2.373 345 E HA 0.137 4.489 4.350 0.003 0.000 0.267 345 E C 0.102 176.675 176.600 -0.045 0.000 1.032 345 E CA 0.275 56.628 56.400 -0.077 0.000 0.889 345 E CB 0.308 29.978 29.700 -0.049 0.000 0.984 345 E HN 0.364 nan 8.360 nan 0.000 0.425 346 L N 2.290 123.499 121.223 -0.022 0.000 2.586 346 L HA 0.290 4.632 4.340 0.003 0.000 0.204 346 L C -0.366 176.508 176.870 0.006 0.000 1.053 346 L CA 0.006 54.841 54.840 -0.009 0.000 0.856 346 L CB 0.681 42.740 42.059 -0.000 0.000 1.192 346 L HN 0.268 nan 8.230 nan 0.000 0.484 347 V N 0.757 120.684 119.914 0.022 0.000 2.488 347 V HA 0.315 4.437 4.120 0.003 0.000 0.293 347 V C -0.401 175.715 176.094 0.037 0.000 1.027 347 V CA -0.563 61.754 62.300 0.028 0.000 0.862 347 V CB 1.681 33.525 31.823 0.036 0.000 1.008 347 V HN 0.182 nan 8.190 nan 0.000 0.428 348 R N 3.266 123.782 120.500 0.027 0.000 2.272 348 R HA 0.338 4.680 4.340 0.003 0.000 0.334 348 R C 0.560 176.880 176.300 0.034 0.000 1.117 348 R CA 0.155 56.273 56.100 0.030 0.000 0.966 348 R CB 0.532 30.841 30.300 0.015 0.000 1.049 348 R HN 0.819 nan 8.270 nan 0.000 0.477 349 S N 6.164 121.897 115.700 0.055 0.000 2.546 349 S HA 0.125 4.598 4.470 0.003 0.000 0.290 349 S C -1.815 172.790 174.600 0.008 0.000 1.290 349 S CA -1.284 56.938 58.200 0.037 0.000 1.069 349 S CB 0.393 63.643 63.200 0.084 0.000 0.846 349 S HN 0.535 nan 8.310 nan 0.000 0.495 350 P HA -0.047 nan 4.420 nan 0.000 0.266 350 P C 0.118 177.400 177.300 -0.030 0.000 1.186 350 P CA 0.216 63.299 63.100 -0.028 0.000 0.767 350 P CB 0.230 31.904 31.700 -0.043 0.000 0.820 351 M N 1.626 121.221 119.600 -0.009 0.000 2.250 351 M HA 0.144 4.626 4.480 0.003 0.000 0.337 351 M C 0.248 176.542 176.300 -0.011 0.000 1.161 351 M CA 0.594 55.896 55.300 0.002 0.000 1.088 351 M CB -0.210 32.395 32.600 0.008 0.000 1.639 351 M HN 0.141 nan 8.290 nan 0.000 0.447 352 V N 0.929 120.846 119.914 0.005 0.000 3.178 352 V HA 0.539 4.661 4.120 0.003 0.000 0.302 352 V C -2.485 173.626 176.094 0.029 0.000 1.262 352 V CA -1.786 60.516 62.300 0.004 0.000 1.030 352 V CB 1.370 33.183 31.823 -0.017 0.000 1.074 352 V HN 0.734 nan 8.190 nan 0.000 0.438 353 P HA 0.342 nan 4.420 nan 0.000 0.265 353 P C -1.087 176.241 177.300 0.046 0.000 1.193 353 P CA 0.148 63.266 63.100 0.030 0.000 0.765 353 P CB 0.692 32.407 31.700 0.023 0.000 0.823 354 L N 5.095 126.342 121.223 0.041 0.000 2.346 354 L HA 0.441 4.783 4.340 0.003 0.000 0.276 354 L C -1.737 175.150 176.870 0.028 0.000 1.006 354 L CA -2.151 52.715 54.840 0.044 0.000 0.817 354 L CB 1.918 44.001 42.059 0.041 0.000 1.272 354 L HN 0.311 nan 8.230 nan 0.000 0.421 355 P HA 0.138 nan 4.420 nan 0.000 0.274 355 P C -0.711 176.596 177.300 0.013 0.000 1.256 355 P CA -0.736 62.376 63.100 0.019 0.000 0.795 355 P CB 0.683 32.395 31.700 0.019 0.000 1.038 356 M N 1.663 121.273 119.600 0.016 0.000 2.184 356 M HA 0.322 4.804 4.480 0.003 0.000 0.351 356 M C -2.394 173.927 176.300 0.036 0.000 1.395 356 M CA -2.157 53.156 55.300 0.021 0.000 1.117 356 M CB -0.464 32.153 32.600 0.029 0.000 1.708 356 M HN 0.083 nan 8.290 nan 0.000 0.468 357 P HA 0.037 nan 4.420 nan 0.000 0.266 357 P C -1.362 176.033 177.300 0.160 0.000 1.195 357 P CA -0.040 63.108 63.100 0.080 0.000 0.768 357 P CB 0.338 32.075 31.700 0.061 0.000 0.838 358 K N 3.083 123.550 120.400 0.110 0.000 2.297 358 K HA 0.100 4.422 4.320 0.003 0.000 0.286 358 K C 0.085 176.705 176.600 0.033 0.000 1.053 358 K CA -0.459 55.858 56.287 0.051 0.000 0.940 358 K CB 0.365 32.842 32.500 -0.038 0.000 1.019 358 K HN 0.295 nan 8.250 nan 0.000 0.475 359 K N 5.339 125.686 120.400 -0.088 0.000 2.322 359 K HA 0.120 4.442 4.320 0.003 0.000 0.283 359 K C -0.640 175.713 176.600 -0.412 0.000 1.042 359 K CA -0.324 55.611 56.287 -0.587 0.000 0.958 359 K CB 0.495 32.645 32.500 -0.584 0.000 0.984 359 K HN 0.556 nan 8.250 nan 0.000 0.473 360 L N 6.532 127.480 121.223 -0.458 0.000 2.315 360 L HA 0.329 4.671 4.340 0.003 0.000 0.278 360 L C 0.406 176.999 176.870 -0.463 0.000 1.088 360 L CA -0.577 54.031 54.840 -0.386 0.000 0.899 360 L CB 0.490 42.357 42.059 -0.320 0.000 1.277 360 L HN 0.552 nan 8.230 nan 0.000 0.431 361 R N 1.950 122.206 120.500 -0.407 0.000 2.679 361 R HA 0.475 4.817 4.340 0.003 0.000 0.269 361 R C -1.072 174.928 176.300 -0.500 0.000 1.076 361 R CA -0.121 55.794 56.100 -0.309 0.000 1.160 361 R CB 0.796 30.989 30.300 -0.178 0.000 1.054 361 R HN 0.190 nan 8.270 nan 0.000 0.507 362 F N 0.407 120.351 119.950 -0.010 0.000 2.518 362 F HA 0.256 4.785 4.527 0.004 0.000 0.323 362 F C 0.107 175.914 175.800 0.012 0.000 1.129 362 F CA -1.015 56.991 58.000 0.010 0.000 0.920 362 F CB 1.542 40.573 39.000 0.052 0.000 1.160 362 F HN 0.257 nan 8.300 nan 0.000 0.440 363 N N 4.445 123.248 118.700 0.171 0.000 2.401 363 N HA 0.327 5.069 4.740 0.003 0.000 0.255 363 N C -0.602 174.980 175.510 0.121 0.000 1.110 363 N CA 0.047 53.161 53.050 0.107 0.000 0.949 363 N CB 1.031 39.553 38.487 0.058 0.000 1.110 363 N HN 0.486 nan 8.380 nan 0.000 0.490 364 I N 1.051 121.680 120.570 0.099 0.000 2.437 364 I HA 0.216 4.388 4.170 0.003 0.000 0.298 364 I C 1.065 177.215 176.117 0.054 0.000 0.984 364 I CA -0.405 60.943 61.300 0.080 0.000 1.214 364 I CB 1.473 39.517 38.000 0.074 0.000 1.365 364 I HN 0.409 nan 8.210 nan 0.000 0.469 365 T N 1.590 116.172 114.554 0.046 0.000 2.949 365 T HA 0.471 4.823 4.350 0.003 0.000 0.287 365 T C -2.176 172.541 174.700 0.028 0.000 1.034 365 T CA -1.949 60.172 62.100 0.034 0.000 1.018 365 T CB 1.691 70.577 68.868 0.031 0.000 1.135 365 T HN 0.227 nan 8.240 nan 0.000 0.532 366 P HA -0.050 nan 4.420 nan 0.000 0.216 366 P C 1.427 178.738 177.300 0.019 0.000 1.150 366 P CA 0.949 64.060 63.100 0.018 0.000 0.837 366 P CB 0.155 31.864 31.700 0.015 0.000 0.786 367 E N -0.602 119.611 120.200 0.020 0.000 2.038 367 E HA -0.180 4.172 4.350 0.003 0.000 0.195 367 E C 1.915 178.532 176.600 0.028 0.000 1.000 367 E CA 1.107 57.520 56.400 0.022 0.000 0.803 367 E CB -0.348 29.366 29.700 0.023 0.000 0.750 367 E HN 0.014 nan 8.360 nan 0.000 0.448 368 I N 1.260 121.849 120.570 0.033 0.000 2.226 368 I HA -0.240 3.932 4.170 0.003 0.000 0.245 368 I C 2.421 178.552 176.117 0.023 0.000 1.100 368 I CA 1.225 62.547 61.300 0.037 0.000 1.374 368 I CB -1.063 36.964 38.000 0.045 0.000 1.057 368 I HN 0.084 nan 8.210 nan 0.000 0.413 369 K N 1.242 121.654 120.400 0.021 0.000 2.063 369 K HA -0.179 4.143 4.320 0.003 0.000 0.208 369 K C 2.367 178.971 176.600 0.007 0.000 1.048 369 K CA 2.004 58.298 56.287 0.012 0.000 0.928 369 K CB -0.602 31.908 32.500 0.016 0.000 0.713 369 K HN 0.168 nan 8.250 nan 0.000 0.442 370 S N 0.125 115.832 115.700 0.011 0.000 2.368 370 S HA -0.118 4.354 4.470 0.003 0.000 0.224 370 S C 1.368 175.973 174.600 0.008 0.000 1.029 370 S CA 1.451 59.656 58.200 0.008 0.000 0.988 370 S CB -0.443 62.763 63.200 0.010 0.000 0.838 370 S HN 0.387 nan 8.310 nan 0.000 0.462 371 D N 1.388 121.800 120.400 0.019 0.000 2.117 371 D HA -0.054 4.588 4.640 0.003 0.000 0.197 371 D C 1.900 178.201 176.300 0.001 0.000 0.987 371 D CA 1.147 55.163 54.000 0.028 0.000 0.829 371 D CB -0.432 40.407 40.800 0.065 0.000 0.961 371 D HN 0.459 nan 8.370 nan 0.000 0.460 372 I N 1.205 121.767 120.570 -0.013 0.000 2.163 372 I HA -0.239 3.933 4.170 0.003 0.000 0.243 372 I C 2.322 178.410 176.117 -0.047 0.000 1.085 372 I CA 1.076 62.347 61.300 -0.048 0.000 1.347 372 I CB -0.132 37.837 38.000 -0.051 0.000 1.044 372 I HN -0.058 nan 8.210 nan 0.000 0.408 373 E N 1.035 121.218 120.200 -0.028 0.000 2.077 373 E HA -0.204 4.148 4.350 0.003 0.000 0.193 373 E C 2.138 178.720 176.600 -0.029 0.000 0.989 373 E CA 1.183 57.567 56.400 -0.027 0.000 0.800 373 E CB -0.194 29.498 29.700 -0.014 0.000 0.746 373 E HN 0.485 nan 8.360 nan 0.000 0.452 374 K N 0.547 120.933 120.400 -0.022 0.000 2.097 374 K HA -0.066 4.256 4.320 0.003 0.000 0.206 374 K C 2.119 178.699 176.600 -0.034 0.000 1.049 374 K CA 1.179 57.453 56.287 -0.022 0.000 0.933 374 K CB -0.105 32.389 32.500 -0.010 0.000 0.717 374 K HN 0.044 nan 8.250 nan 0.000 0.442 375 A N 1.814 124.607 122.820 -0.044 0.000 1.930 375 A HA -0.164 4.158 4.320 0.003 0.000 0.217 375 A C 1.800 179.334 177.584 -0.083 0.000 1.175 375 A CA 1.316 53.309 52.037 -0.072 0.000 0.627 375 A CB -0.205 18.730 19.000 -0.109 0.000 0.815 375 A HN 0.154 nan 8.150 nan 0.000 0.443 376 K N -0.854 119.501 120.400 -0.076 0.000 2.057 376 K HA -0.191 4.131 4.320 0.003 0.000 0.207 376 K C 2.239 178.803 176.600 -0.060 0.000 1.049 376 K CA 1.552 57.796 56.287 -0.071 0.000 0.931 376 K CB -0.176 32.289 32.500 -0.059 0.000 0.714 376 K HN 0.343 nan 8.250 nan 0.000 0.440 377 Q N 1.023 120.794 119.800 -0.048 0.000 2.046 377 Q HA -0.119 4.223 4.340 0.003 0.000 0.200 377 Q C 1.805 177.777 176.000 -0.047 0.000 0.975 377 Q CA 1.362 57.140 55.803 -0.041 0.000 0.836 377 Q CB -0.513 28.205 28.738 -0.032 0.000 0.896 377 Q HN 0.349 nan 8.270 nan 0.000 0.428 378 N N -0.129 118.542 118.700 -0.048 0.000 2.104 378 N HA -0.184 4.558 4.740 0.003 0.000 0.190 378 N C 1.705 177.177 175.510 -0.063 0.000 1.024 378 N CA 1.259 54.282 53.050 -0.045 0.000 0.853 378 N CB -0.100 38.367 38.487 -0.035 0.000 1.008 378 N HN 0.252 nan 8.380 nan 0.000 0.424 379 L N 1.469 122.639 121.223 -0.088 0.000 2.093 379 L HA -0.003 4.339 4.340 0.003 0.000 0.208 379 L C 2.400 179.193 176.870 -0.130 0.000 1.085 379 L CA 1.410 56.174 54.840 -0.127 0.000 0.755 379 L CB -0.888 41.090 42.059 -0.136 0.000 0.904 379 L HN 0.064 nan 8.230 nan 0.000 0.435 380 S N -0.228 115.415 115.700 -0.095 0.000 2.370 380 S HA -0.170 4.302 4.470 0.003 0.000 0.226 380 S C 1.971 176.522 174.600 -0.080 0.000 1.033 380 S CA 1.849 59.997 58.200 -0.086 0.000 1.011 380 S CB -0.454 62.713 63.200 -0.055 0.000 0.852 380 S HN 0.486 nan 8.310 nan 0.000 0.457 381 I N 1.221 121.754 120.570 -0.062 0.000 2.226 381 I HA -0.237 3.935 4.170 0.003 0.000 0.245 381 I C 2.369 178.460 176.117 -0.044 0.000 1.100 381 I CA 1.280 62.553 61.300 -0.044 0.000 1.374 381 I CB -0.344 37.636 38.000 -0.033 0.000 1.057 381 I HN 0.298 nan 8.210 nan 0.000 0.413 382 M N 0.019 119.583 119.600 -0.059 0.000 2.132 382 M HA -0.189 4.293 4.480 0.003 0.000 0.263 382 M C 2.335 178.565 176.300 -0.116 0.000 1.065 382 M CA 1.901 57.170 55.300 -0.051 0.000 1.122 382 M CB -0.358 32.175 32.600 -0.111 0.000 1.365 382 M HN 0.166 nan 8.290 nan 0.000 0.411 383 I N -0.063 120.371 120.570 -0.227 0.000 2.252 383 I HA -0.290 3.882 4.170 0.003 0.000 0.245 383 I C 2.339 178.346 176.117 -0.183 0.000 1.102 383 I CA 1.432 62.512 61.300 -0.366 0.000 1.385 383 I CB -0.427 37.275 38.000 -0.496 0.000 1.064 383 I HN 0.391 nan 8.210 nan 0.000 0.414 384 Q N 0.037 119.772 119.800 -0.108 0.000 2.226 384 Q HA -0.256 4.086 4.340 0.003 0.000 0.204 384 Q C 1.427 177.422 176.000 -0.007 0.000 0.975 384 Q CA 1.600 57.373 55.803 -0.050 0.000 0.866 384 Q CB -0.092 28.624 28.738 -0.036 0.000 0.915 384 Q HN 0.386 nan 8.270 nan 0.000 0.440 385 D N -0.629 119.781 120.400 0.017 0.000 2.349 385 D HA -0.010 4.632 4.640 0.003 0.000 0.215 385 D C -0.559 175.844 176.300 0.172 0.000 1.016 385 D CA -0.030 54.024 54.000 0.090 0.000 0.870 385 D CB 0.371 41.227 40.800 0.093 0.000 0.917 385 D HN -0.009 nan 8.370 nan 0.000 0.524 386 L N 0.910 122.190 121.223 0.095 0.000 2.275 386 L HA 0.358 4.700 4.340 0.003 0.000 0.288 386 L C -1.031 175.847 176.870 0.014 0.000 1.046 386 L CA -0.447 54.443 54.840 0.084 0.000 0.805 386 L CB 1.528 43.618 42.059 0.051 0.000 1.193 386 L HN -0.190 nan 8.230 nan 0.000 0.426 387 D N 5.837 126.223 120.400 -0.024 0.000 2.414 387 D HA 0.319 4.961 4.640 0.003 0.000 0.232 387 D C -1.187 175.086 176.300 -0.045 0.000 1.070 387 D CA -0.233 53.753 54.000 -0.023 0.000 0.839 387 D CB 0.799 41.593 40.800 -0.011 0.000 1.079 387 D HN 0.451 nan 8.370 nan 0.000 0.521 388 I N 3.004 123.550 120.570 -0.039 0.000 2.608 388 I HA 0.493 4.665 4.170 0.003 0.000 0.295 388 I C -1.168 174.925 176.117 -0.039 0.000 1.049 388 I CA -0.356 60.905 61.300 -0.065 0.000 1.063 388 I CB 2.078 39.991 38.000 -0.145 0.000 1.248 388 I HN 0.359 nan 8.210 nan 0.000 0.424 389 T N 5.829 120.374 114.554 -0.015 0.000 2.900 389 T HA 0.603 4.955 4.350 0.003 0.000 0.295 389 T C -1.365 173.351 174.700 0.027 0.000 1.044 389 T CA -0.312 61.800 62.100 0.019 0.000 0.995 389 T CB 1.676 70.584 68.868 0.066 0.000 1.072 389 T HN 0.304 nan 8.240 nan 0.000 0.473 390 V N 5.335 125.274 119.914 0.042 0.000 2.417 390 V HA 0.599 4.721 4.120 0.003 0.000 0.291 390 V C -0.061 176.122 176.094 0.149 0.000 1.024 390 V CA -0.758 61.600 62.300 0.096 0.000 0.861 390 V CB 1.440 33.300 31.823 0.061 0.000 0.985 390 V HN 0.905 nan 8.190 nan 0.000 0.436 391 M N 6.215 125.950 119.600 0.225 0.000 2.253 391 M HA 0.661 5.143 4.480 0.003 0.000 0.314 391 M C -1.684 174.814 176.300 0.331 0.000 1.019 391 M CA -0.456 54.996 55.300 0.253 0.000 0.932 391 M CB 1.875 34.620 32.600 0.242 0.000 1.606 391 M HN 0.356 nan 8.290 nan 0.000 0.430 392 V N 5.793 125.871 119.914 0.272 0.000 2.348 392 V HA 0.260 4.382 4.120 0.003 0.000 0.270 392 V C -0.719 175.581 176.094 0.343 0.000 1.037 392 V CA -0.305 62.168 62.300 0.287 0.000 0.872 392 V CB 0.658 32.583 31.823 0.169 0.000 1.002 392 V HN 0.763 nan 8.190 nan 0.000 0.464 393 F N 6.250 126.365 119.950 0.275 0.000 2.405 393 F HA 0.333 4.862 4.527 0.004 0.000 0.358 393 F C 1.367 177.228 175.800 0.101 0.000 1.151 393 F CA -0.463 57.648 58.000 0.185 0.000 1.161 393 F CB 0.380 39.541 39.000 0.268 0.000 1.245 393 F HN 0.771 nan 8.300 nan 0.000 0.545 394 H N 2.431 121.283 119.070 -0.364 0.000 2.563 394 H HA 0.089 4.647 4.556 0.004 0.000 0.264 394 H C 1.332 176.377 175.328 -0.472 0.000 0.957 394 H CA 0.967 56.810 56.048 -0.342 0.000 1.173 394 H CB -0.536 29.014 29.762 -0.355 0.000 1.420 394 H HN 0.682 nan 8.280 nan 0.000 0.551 395 H N 0.228 118.585 119.070 -1.188 0.000 2.423 395 H HA 0.063 4.621 4.556 0.004 0.000 0.297 395 H C -0.120 175.120 175.328 -0.147 0.000 1.075 395 H CA 1.439 57.069 56.048 -0.696 0.000 1.342 395 H CB 0.131 29.349 29.762 -0.907 0.000 1.395 395 H HN 0.507 nan 8.280 nan 0.000 0.530 396 F N -2.227 117.750 119.950 0.045 0.000 2.858 396 F HA 0.607 5.136 4.527 0.003 0.000 0.319 396 F C 0.029 176.019 175.800 0.318 0.000 1.166 396 F CA -0.814 57.312 58.000 0.211 0.000 0.899 396 F CB 0.867 39.998 39.000 0.220 0.000 1.332 396 F HN -0.070 nan 8.300 nan 0.000 0.461 397 G N 0.293 109.422 108.800 0.549 0.000 3.356 397 G HA2 0.308 4.270 3.960 0.003 0.000 0.178 397 G HA3 0.308 4.270 3.960 0.003 0.000 0.178 397 G C -0.093 175.010 174.900 0.340 0.000 1.130 397 G CA -0.710 44.611 45.100 0.368 0.000 0.800 397 G HN 0.624 nan 8.290 nan 0.000 0.669 398 K N 0.686 121.185 120.400 0.165 0.000 2.209 398 K HA -0.097 4.225 4.320 0.003 0.000 0.204 398 K C 2.143 178.764 176.600 0.035 0.000 1.048 398 K CA 1.636 57.976 56.287 0.088 0.000 0.940 398 K CB -0.085 32.445 32.500 0.051 0.000 0.729 398 K HN 0.532 nan 8.250 nan 0.000 0.451 399 D N 1.021 121.467 120.400 0.077 0.000 2.116 399 D HA -0.248 4.394 4.640 0.003 0.000 0.193 399 D C 1.796 178.073 176.300 -0.037 0.000 0.998 399 D CA 1.279 55.301 54.000 0.038 0.000 0.836 399 D CB -0.729 40.126 40.800 0.092 0.000 0.951 399 D HN 0.224 nan 8.370 nan 0.000 0.449 400 F N 2.175 121.999 119.950 -0.210 0.000 2.060 400 F HA 0.063 4.592 4.527 0.003 0.000 0.295 400 F C -0.944 174.580 175.800 -0.461 0.000 1.120 400 F CA 0.526 58.263 58.000 -0.440 0.000 1.205 400 F CB -1.280 37.145 39.000 -0.958 0.000 0.986 400 F HN -0.043 nan 8.300 nan 0.000 0.470 401 P HA -0.185 nan 4.420 nan 0.000 0.216 401 P C 1.282 178.267 177.300 -0.525 0.000 1.150 401 P CA 2.161 64.727 63.100 -0.890 0.000 0.837 401 P CB -0.170 31.168 31.700 -0.604 0.000 0.786 402 K N 0.053 120.255 120.400 -0.329 0.000 2.044 402 K HA -0.152 4.170 4.320 0.003 0.000 0.210 402 K C 2.337 178.794 176.600 -0.238 0.000 1.049 402 K CA 2.172 58.335 56.287 -0.206 0.000 0.927 402 K CB -0.689 31.741 32.500 -0.117 0.000 0.713 402 K HN 0.232 nan 8.250 nan 0.000 0.443 403 S N 0.991 116.509 115.700 -0.303 0.000 2.419 403 S HA -0.104 4.368 4.470 0.003 0.000 0.233 403 S C 1.441 175.855 174.600 -0.309 0.000 1.016 403 S CA 0.945 58.992 58.200 -0.255 0.000 0.974 403 S CB -0.046 63.030 63.200 -0.207 0.000 0.786 403 S HN 0.181 nan 8.310 nan 0.000 0.492 404 E N 1.008 120.912 120.200 -0.493 0.000 2.476 404 E HA 0.183 4.535 4.350 0.003 0.000 0.191 404 E C -0.023 176.436 176.600 -0.234 0.000 1.064 404 E CA -0.022 56.145 56.400 -0.390 0.000 0.866 404 E CB -0.154 29.213 29.700 -0.555 0.000 0.952 404 E HN 0.594 nan 8.360 nan 0.000 0.492 405 K N 0.096 120.376 120.400 -0.201 0.000 3.069 405 K HA -0.184 4.138 4.320 0.003 0.000 0.267 405 K C -0.596 175.942 176.600 -0.104 0.000 1.082 405 K CA 0.326 56.540 56.287 -0.122 0.000 0.782 405 K CB -1.387 31.062 32.500 -0.086 0.000 1.230 405 K HN 0.105 nan 8.250 nan 0.000 0.488 406 L N -0.259 120.883 121.223 -0.136 0.000 2.342 406 L HA 0.365 4.707 4.340 0.003 0.000 0.271 406 L C 0.619 177.463 176.870 -0.042 0.000 1.008 406 L CA -0.998 53.801 54.840 -0.068 0.000 0.818 406 L CB 1.872 43.911 42.059 -0.033 0.000 1.296 406 L HN 0.053 nan 8.230 nan 0.000 0.427 407 S N 2.231 117.942 115.700 0.019 0.000 2.515 407 S HA 0.122 4.594 4.470 0.003 0.000 0.285 407 S C -1.664 172.987 174.600 0.085 0.000 1.265 407 S CA -0.820 57.410 58.200 0.050 0.000 1.079 407 S CB 0.694 63.944 63.200 0.083 0.000 0.877 407 S HN 0.400 nan 8.310 nan 0.000 0.493 408 P HA -0.080 nan 4.420 nan 0.000 0.216 408 P C 0.989 178.411 177.300 0.202 0.000 1.150 408 P CA 1.073 64.237 63.100 0.108 0.000 0.837 408 P CB 0.071 31.820 31.700 0.080 0.000 0.786 409 D N -0.524 119.993 120.400 0.196 0.000 2.117 409 D HA -0.141 4.501 4.640 0.003 0.000 0.197 409 D C 1.921 178.339 176.300 0.197 0.000 0.987 409 D CA 1.465 55.616 54.000 0.251 0.000 0.829 409 D CB -0.656 40.296 40.800 0.253 0.000 0.961 409 D HN -0.029 nan 8.370 nan 0.000 0.460 410 A N -0.606 122.328 122.820 0.189 0.000 1.933 410 A HA -0.095 4.227 4.320 0.003 0.000 0.218 410 A C 2.168 179.737 177.584 -0.024 0.000 1.175 410 A CA 1.042 53.135 52.037 0.094 0.000 0.628 410 A CB -1.144 17.971 19.000 0.192 0.000 0.814 410 A HN 0.413 nan 8.150 nan 0.000 0.444 411 F N 0.630 120.550 119.950 -0.049 0.000 2.069 411 F HA -0.192 4.337 4.527 0.004 0.000 0.298 411 F C 2.001 177.776 175.800 -0.043 0.000 1.113 411 F CA 2.008 59.984 58.000 -0.041 0.000 1.214 411 F CB -0.191 38.826 39.000 0.029 0.000 0.978 411 F HN 0.184 nan 8.300 nan 0.000 0.474 412 I N -0.120 120.572 120.570 0.203 0.000 2.226 412 I HA -0.298 3.874 4.170 0.003 0.000 0.245 412 I C 2.420 178.458 176.117 -0.131 0.000 1.100 412 I CA 1.018 62.335 61.300 0.028 0.000 1.374 412 I CB -0.598 37.363 38.000 -0.065 0.000 1.057 412 I HN 0.226 nan 8.210 nan 0.000 0.413 413 Q N -0.042 119.672 119.800 -0.142 0.000 2.124 413 Q HA -0.179 4.163 4.340 0.003 0.000 0.202 413 Q C 2.264 178.127 176.000 -0.227 0.000 0.977 413 Q CA 1.380 57.052 55.803 -0.219 0.000 0.850 413 Q CB -0.180 28.244 28.738 -0.523 0.000 0.901 413 Q HN 0.481 nan 8.270 nan 0.000 0.429 414 M N -0.542 118.897 119.600 -0.269 0.000 2.254 414 M HA -0.022 4.460 4.480 0.003 0.000 0.265 414 M C 2.170 178.427 176.300 -0.072 0.000 1.066 414 M CA 0.986 56.181 55.300 -0.176 0.000 1.123 414 M CB -1.088 31.328 32.600 -0.307 0.000 1.388 414 M HN 0.101 nan 8.290 nan 0.000 0.425 415 A N 0.410 123.113 122.820 -0.195 0.000 1.902 415 A HA -0.170 4.152 4.320 0.003 0.000 0.217 415 A C 2.197 179.717 177.584 -0.106 0.000 1.181 415 A CA 1.398 53.338 52.037 -0.162 0.000 0.623 415 A CB -0.909 17.948 19.000 -0.238 0.000 0.818 415 A HN 0.414 nan 8.150 nan 0.000 0.443 416 L N -0.652 120.499 121.223 -0.119 0.000 2.083 416 L HA -0.157 4.185 4.340 0.003 0.000 0.209 416 L C 2.334 179.217 176.870 0.022 0.000 1.083 416 L CA 1.964 56.758 54.840 -0.077 0.000 0.752 416 L CB -0.606 41.413 42.059 -0.068 0.000 0.899 416 L HN 0.338 nan 8.230 nan 0.000 0.433 417 Q N -0.745 119.072 119.800 0.029 0.000 2.124 417 Q HA -0.175 4.167 4.340 0.003 0.000 0.202 417 Q C 2.230 178.305 176.000 0.124 0.000 0.977 417 Q CA 1.686 57.542 55.803 0.089 0.000 0.850 417 Q CB -0.604 28.180 28.738 0.075 0.000 0.901 417 Q HN 0.500 nan 8.270 nan 0.000 0.429 418 L N 0.511 121.774 121.223 0.066 0.000 2.056 418 L HA -0.016 4.326 4.340 0.003 0.000 0.207 418 L C 2.091 179.005 176.870 0.072 0.000 1.078 418 L CA 2.016 56.857 54.840 0.002 0.000 0.749 418 L CB -0.968 41.055 42.059 -0.059 0.000 0.901 418 L HN 0.090 nan 8.230 nan 0.000 0.433 419 A N -1.025 121.831 122.820 0.060 0.000 1.865 419 A HA -0.325 3.997 4.320 0.003 0.000 0.217 419 A C 2.349 179.969 177.584 0.060 0.000 1.191 419 A CA 2.078 54.159 52.037 0.073 0.000 0.623 419 A CB -1.436 17.568 19.000 0.007 0.000 0.826 419 A HN 0.618 nan 8.150 nan 0.000 0.444 420 Y N -1.571 118.740 120.300 0.018 0.000 2.151 420 Y HA -0.303 4.249 4.550 0.003 0.000 0.284 420 Y C 2.296 178.289 175.900 0.155 0.000 1.166 420 Y CA 2.384 60.547 58.100 0.105 0.000 1.163 420 Y CB -0.481 38.052 38.460 0.121 0.000 0.974 420 Y HN 0.463 nan 8.280 nan 0.000 0.511 421 Y N 0.460 120.868 120.300 0.180 0.000 2.314 421 Y HA -0.128 4.424 4.550 0.003 0.000 0.293 421 Y C 2.370 178.253 175.900 -0.029 0.000 1.129 421 Y CA 1.510 59.670 58.100 0.100 0.000 1.201 421 Y CB -0.231 38.261 38.460 0.052 0.000 0.999 421 Y HN -0.022 nan 8.280 nan 0.000 0.541 422 R N -0.334 120.197 120.500 0.050 0.000 2.148 422 R HA -0.074 4.268 4.340 0.003 0.000 0.227 422 R C 1.996 178.154 176.300 -0.236 0.000 1.103 422 R CA 1.705 57.798 56.100 -0.011 0.000 0.983 422 R CB -0.196 30.200 30.300 0.161 0.000 0.874 422 R HN 0.409 nan 8.270 nan 0.000 0.451 423 I N -1.477 118.789 120.570 -0.507 0.000 2.400 423 I HA -0.165 4.007 4.170 0.003 0.000 0.248 423 I C 1.092 176.695 176.117 -0.857 0.000 1.109 423 I CA 1.080 61.845 61.300 -0.891 0.000 1.425 423 I CB 0.125 37.318 38.000 -1.345 0.000 1.094 423 I HN 0.087 nan 8.210 nan 0.000 0.425 424 Y N 0.242 120.247 120.300 -0.492 0.000 2.444 424 Y HA 0.337 4.889 4.550 0.003 0.000 0.249 424 Y C 1.835 177.506 175.900 -0.381 0.000 1.134 424 Y CA 0.226 58.071 58.100 -0.426 0.000 1.261 424 Y CB 0.381 38.508 38.460 -0.554 0.000 1.143 424 Y HN 0.213 nan 8.280 nan 0.000 0.523 425 G N 0.797 109.306 108.800 -0.486 0.000 2.168 425 G HA2 -0.257 3.705 3.960 0.003 0.000 0.263 425 G HA3 -0.257 3.705 3.960 0.003 0.000 0.263 425 G C 0.054 174.614 174.900 -0.567 0.000 0.977 425 G CA 0.659 45.353 45.100 -0.676 0.000 0.659 425 G HN 0.471 nan 8.290 nan 0.000 0.533 426 Q N -1.775 117.869 119.800 -0.261 0.000 2.630 426 Q HA 0.785 5.127 4.340 0.003 0.000 0.295 426 Q C -0.259 175.995 176.000 0.425 0.000 0.944 426 Q CA -0.619 55.289 55.803 0.175 0.000 0.766 426 Q CB 0.855 29.666 28.738 0.122 0.000 1.471 426 Q HN 1.282 nan 8.270 nan 0.000 0.416 427 A N 0.329 123.375 122.820 0.377 0.000 2.287 427 A HA 0.740 5.062 4.320 0.003 0.000 0.273 427 A C 0.161 177.836 177.584 0.151 0.000 1.091 427 A CA 0.074 52.275 52.037 0.272 0.000 0.817 427 A CB 0.349 19.458 19.000 0.182 0.000 1.069 427 A HN 1.032 nan 8.150 nan 0.000 0.492 428 C N -1.377 117.914 119.300 -0.015 0.000 2.994 428 C HA 0.845 5.307 4.460 0.003 0.000 0.304 428 C C 0.518 175.552 174.990 0.074 0.000 1.273 428 C CA -0.560 58.436 59.018 -0.036 0.000 1.537 428 C CB 0.577 28.125 27.740 -0.319 0.000 2.001 428 C HN 1.831 nan 8.230 nan 0.000 0.471 429 A N 2.399 125.330 122.820 0.184 0.000 2.563 429 A HA 0.455 4.777 4.320 0.003 0.000 0.256 429 A C 0.472 178.306 177.584 0.416 0.000 1.056 429 A CA 0.954 53.140 52.037 0.247 0.000 0.775 429 A CB -0.703 18.321 19.000 0.040 0.000 0.973 429 A HN 1.053 nan 8.150 nan 0.000 0.516 430 T N 2.901 117.735 114.554 0.467 0.000 2.848 430 T HA 0.480 4.832 4.350 0.003 0.000 0.285 430 T C -1.030 173.844 174.700 0.290 0.000 0.995 430 T CA -0.117 62.202 62.100 0.365 0.000 0.970 430 T CB 0.958 69.935 68.868 0.182 0.000 0.976 430 T HN 0.517 nan 8.240 nan 0.000 0.441 431 Y N 2.311 122.508 120.300 -0.171 0.000 2.341 431 Y HA 0.592 5.144 4.550 0.003 0.000 0.337 431 Y C -0.146 175.666 175.900 -0.146 0.000 1.014 431 Y CA -1.129 56.673 58.100 -0.496 0.000 1.111 431 Y CB 1.157 38.855 38.460 -1.270 0.000 1.194 431 Y HN 0.658 nan 8.280 nan 0.000 0.462 432 E N 3.819 123.901 120.200 -0.197 0.000 2.210 432 E HA 0.421 4.773 4.350 0.003 0.000 0.266 432 E C -1.198 175.231 176.600 -0.285 0.000 0.883 432 E CA -0.785 55.595 56.400 -0.033 0.000 0.761 432 E CB 1.265 31.040 29.700 0.126 0.000 1.156 432 E HN 0.751 nan 8.360 nan 0.000 0.412 433 S N 1.922 117.579 115.700 -0.073 0.000 2.531 433 S HA 0.455 4.927 4.470 0.003 0.000 0.279 433 S C -0.247 174.296 174.600 -0.095 0.000 1.305 433 S CA -0.581 57.555 58.200 -0.105 0.000 1.058 433 S CB 1.298 64.560 63.200 0.105 0.000 0.899 433 S HN 0.546 nan 8.310 nan 0.000 0.493 434 A N 2.417 125.152 122.820 -0.142 0.000 2.331 434 A HA 0.669 4.991 4.320 0.003 0.000 0.320 434 A C 0.127 177.673 177.584 -0.065 0.000 1.138 434 A CA -0.693 51.291 52.037 -0.088 0.000 0.790 434 A CB 1.128 20.065 19.000 -0.105 0.000 1.206 434 A HN 0.660 nan 8.150 nan 0.000 0.470 435 S N 1.914 117.597 115.700 -0.028 0.000 2.499 435 S HA 0.373 4.845 4.470 0.003 0.000 0.275 435 S C 0.329 174.930 174.600 0.001 0.000 1.257 435 S CA -0.422 57.767 58.200 -0.018 0.000 1.050 435 S CB -0.158 63.036 63.200 -0.010 0.000 0.937 435 S HN 0.593 nan 8.310 nan 0.000 0.490 436 L N 5.905 127.134 121.223 0.009 0.000 2.783 436 L HA 0.313 4.655 4.340 0.003 0.000 0.236 436 L C 2.116 179.058 176.870 0.119 0.000 1.225 436 L CA -0.145 54.760 54.840 0.108 0.000 1.026 436 L CB -0.112 41.991 42.059 0.074 0.000 1.314 436 L HN 0.669 nan 8.230 nan 0.000 0.489 437 R N -0.083 120.429 120.500 0.021 0.000 2.293 437 R HA -0.068 4.274 4.340 0.003 0.000 0.219 437 R C 1.898 178.149 176.300 -0.082 0.000 1.091 437 R CA 0.891 56.985 56.100 -0.011 0.000 1.004 437 R CB -0.063 30.226 30.300 -0.018 0.000 0.865 437 R HN 0.495 nan 8.270 nan 0.000 0.469 438 M N -0.288 119.191 119.600 -0.202 0.000 2.358 438 M HA -0.087 4.395 4.480 0.003 0.000 0.264 438 M C -0.067 175.907 176.300 -0.542 0.000 1.064 438 M CA 1.280 56.312 55.300 -0.447 0.000 1.093 438 M CB -0.056 32.129 32.600 -0.693 0.000 1.401 438 M HN -0.112 nan 8.290 nan 0.000 0.440 439 F N -1.235 118.715 119.950 -0.001 0.000 2.425 439 F HA 0.277 4.806 4.527 0.003 0.000 0.331 439 F C 0.912 176.743 175.800 0.051 0.000 1.085 439 F CA -1.275 56.741 58.000 0.026 0.000 1.028 439 F CB 0.144 39.151 39.000 0.012 0.000 1.177 439 F HN -0.027 nan 8.300 nan 0.000 0.487 440 H N 4.153 123.317 119.070 0.157 0.000 3.216 440 H HA -0.006 4.552 4.556 0.003 0.000 0.283 440 H C 0.715 176.081 175.328 0.064 0.000 0.921 440 H CA 0.657 56.755 56.048 0.083 0.000 1.419 440 H CB 0.194 30.000 29.762 0.073 0.000 1.460 440 H HN 0.838 nan 8.280 nan 0.000 0.553 441 L N 2.989 124.061 121.223 -0.251 0.000 4.496 441 L HA -0.221 4.121 4.340 0.003 0.000 0.419 441 L C 1.007 177.814 176.870 -0.106 0.000 1.139 441 L CA 0.612 55.307 54.840 -0.242 0.000 0.975 441 L CB -1.716 40.117 42.059 -0.377 0.000 2.099 441 L HN 0.778 nan 8.230 nan 0.000 0.818 442 G N -0.052 108.730 108.800 -0.029 0.000 2.441 442 G HA2 0.358 4.320 3.960 0.003 0.000 0.243 442 G HA3 0.358 4.320 3.960 0.003 0.000 0.243 442 G C 0.789 175.666 174.900 -0.038 0.000 1.281 442 G CA -0.278 44.813 45.100 -0.016 0.000 0.854 442 G HN 0.128 nan 8.290 nan 0.000 0.560 443 R N 0.483 120.933 120.500 -0.084 0.000 1.747 443 R HA 0.367 4.709 4.340 0.003 0.000 0.136 443 R C 0.920 177.162 176.300 -0.096 0.000 2.116 443 R CA 0.926 56.992 56.100 -0.056 0.000 1.739 443 R CB -0.660 29.635 30.300 -0.009 0.000 1.333 443 R HN 0.688 nan 8.270 nan 0.000 0.480 444 T N -1.367 113.046 114.554 -0.236 0.000 2.841 444 T HA 0.552 4.904 4.350 0.003 0.000 0.296 444 T C -1.005 173.457 174.700 -0.397 0.000 1.166 444 T CA -0.840 61.122 62.100 -0.229 0.000 1.007 444 T CB 2.880 71.678 68.868 -0.116 0.000 1.253 444 T HN 0.116 nan 8.240 nan 0.000 0.511 445 D N -0.917 119.296 120.400 -0.312 0.000 2.652 445 D HA 0.515 5.158 4.640 0.003 0.000 0.285 445 D C -1.157 174.909 176.300 -0.390 0.000 1.173 445 D CA -0.279 53.514 54.000 -0.345 0.000 0.981 445 D CB 2.528 43.188 40.800 -0.234 0.000 1.440 445 D HN 0.650 nan 8.370 nan 0.000 0.485 446 T N 1.163 115.467 114.554 -0.417 0.000 2.758 446 T HA 0.511 4.863 4.350 0.003 0.000 0.285 446 T C 0.276 174.727 174.700 -0.414 0.000 0.981 446 T CA -0.374 61.363 62.100 -0.606 0.000 0.965 446 T CB 0.353 68.906 68.868 -0.525 0.000 0.927 446 T HN 0.147 nan 8.240 nan 0.000 0.448 447 I N 3.442 123.785 120.570 -0.378 0.000 2.371 447 I HA 0.315 4.487 4.170 0.003 0.000 0.290 447 I C 0.854 176.917 176.117 -0.090 0.000 1.028 447 I CA -0.420 60.773 61.300 -0.178 0.000 1.345 447 I CB 0.753 38.673 38.000 -0.133 0.000 1.407 447 I HN 0.294 nan 8.210 nan 0.000 0.501 448 R N 4.312 124.855 120.500 0.072 0.000 2.215 448 R HA 0.258 4.600 4.340 0.003 0.000 0.337 448 R C 0.661 177.124 176.300 0.272 0.000 1.010 448 R CA -0.207 56.013 56.100 0.199 0.000 0.871 448 R CB 1.075 31.548 30.300 0.288 0.000 1.134 448 R HN 0.664 nan 8.270 nan 0.000 0.477 449 S N 1.429 117.282 115.700 0.255 0.000 2.461 449 S HA -0.029 4.443 4.470 0.003 0.000 0.228 449 S C 0.898 175.607 174.600 0.182 0.000 1.005 449 S CA 0.319 58.684 58.200 0.275 0.000 0.942 449 S CB 0.347 63.675 63.200 0.212 0.000 0.776 449 S HN 0.656 nan 8.310 nan 0.000 0.514 450 A N 2.362 125.297 122.820 0.192 0.000 2.302 450 A HA 0.624 4.946 4.320 0.003 0.000 0.295 450 A C 0.409 178.109 177.584 0.194 0.000 1.235 450 A CA -0.510 51.624 52.037 0.161 0.000 0.876 450 A CB 0.276 19.366 19.000 0.150 0.000 1.133 450 A HN 0.349 nan 8.150 nan 0.000 0.533 451 S N 2.582 118.372 115.700 0.149 0.000 2.651 451 S HA 0.546 5.018 4.470 0.003 0.000 0.279 451 S C 0.716 175.384 174.600 0.113 0.000 1.148 451 S CA -0.736 57.568 58.200 0.173 0.000 0.837 451 S CB 0.933 64.228 63.200 0.159 0.000 1.138 451 S HN 0.402 nan 8.310 nan 0.000 0.478 452 M N 1.395 121.062 119.600 0.112 0.000 2.279 452 M HA -0.055 4.427 4.480 0.003 0.000 0.264 452 M C 1.083 177.411 176.300 0.046 0.000 1.062 452 M CA 1.341 56.677 55.300 0.059 0.000 1.099 452 M CB -1.522 31.101 32.600 0.038 0.000 1.394 452 M HN 0.736 nan 8.290 nan 0.000 0.426 453 D N 0.169 120.602 120.400 0.056 0.000 2.097 453 D HA -0.099 4.544 4.640 0.003 0.000 0.197 453 D C 2.051 178.383 176.300 0.052 0.000 0.984 453 D CA 1.936 55.957 54.000 0.035 0.000 0.826 453 D CB -0.072 40.731 40.800 0.005 0.000 0.973 453 D HN 0.417 nan 8.370 nan 0.000 0.460 454 S N 0.617 116.348 115.700 0.051 0.000 2.402 454 S HA -0.132 4.340 4.470 0.003 0.000 0.229 454 S C 2.071 176.712 174.600 0.069 0.000 1.021 454 S CA 0.440 58.706 58.200 0.111 0.000 0.974 454 S CB -0.454 62.796 63.200 0.083 0.000 0.800 454 S HN 0.144 nan 8.310 nan 0.000 0.484 455 L N 2.333 123.562 121.223 0.009 0.000 2.056 455 L HA 0.007 4.349 4.340 0.003 0.000 0.207 455 L C 2.449 179.234 176.870 -0.141 0.000 1.078 455 L CA 2.165 56.952 54.840 -0.087 0.000 0.749 455 L CB -1.441 40.602 42.059 -0.027 0.000 0.901 455 L HN 0.322 nan 8.230 nan 0.000 0.433 456 T N -0.318 114.208 114.554 -0.046 0.000 2.746 456 T HA -0.214 4.138 4.350 0.003 0.000 0.267 456 T C 1.616 176.296 174.700 -0.033 0.000 1.039 456 T CA 1.739 63.814 62.100 -0.040 0.000 1.142 456 T CB -0.598 68.272 68.868 0.002 0.000 0.866 456 T HN 0.426 nan 8.240 nan 0.000 0.444 457 F N 3.171 123.051 119.950 -0.117 0.000 2.069 457 F HA -0.172 4.357 4.527 0.003 0.000 0.298 457 F C 2.302 178.009 175.800 -0.155 0.000 1.113 457 F CA 1.422 59.352 58.000 -0.117 0.000 1.214 457 F CB -0.949 37.984 39.000 -0.111 0.000 0.978 457 F HN 0.074 nan 8.300 nan 0.000 0.474 458 V N -1.427 118.101 119.914 -0.642 0.000 2.548 458 V HA -0.131 3.991 4.120 0.003 0.000 0.249 458 V C 2.244 177.919 176.094 -0.699 0.000 1.055 458 V CA 1.847 63.623 62.300 -0.873 0.000 1.065 458 V CB -1.147 30.269 31.823 -0.678 0.000 0.681 458 V HN 0.324 nan 8.190 nan 0.000 0.462 459 K N 1.119 121.145 120.400 -0.624 0.000 2.097 459 K HA 0.099 4.421 4.320 0.003 0.000 0.205 459 K C 2.327 178.811 176.600 -0.193 0.000 1.050 459 K CA 1.436 57.484 56.287 -0.398 0.000 0.938 459 K CB -0.391 31.949 32.500 -0.267 0.000 0.718 459 K HN 0.582 nan 8.250 nan 0.000 0.442 460 A N 0.748 123.454 122.820 -0.190 0.000 2.016 460 A HA -0.107 4.215 4.320 0.003 0.000 0.217 460 A C 2.002 179.519 177.584 -0.112 0.000 1.162 460 A CA 0.861 52.836 52.037 -0.104 0.000 0.662 460 A CB -0.282 18.687 19.000 -0.052 0.000 0.812 460 A HN 0.213 nan 8.150 nan 0.000 0.450 461 M N 0.307 119.773 119.600 -0.223 0.000 2.108 461 M HA -0.137 4.345 4.480 0.003 0.000 0.261 461 M C 0.233 176.476 176.300 -0.095 0.000 1.066 461 M CA 1.921 57.104 55.300 -0.196 0.000 1.107 461 M CB -0.262 32.088 32.600 -0.417 0.000 1.356 461 M HN 0.270 nan 8.290 nan 0.000 0.406 462 D N -0.176 120.176 120.400 -0.080 0.000 2.363 462 D HA 0.056 4.698 4.640 0.003 0.000 0.214 462 D C -0.280 176.012 176.300 -0.014 0.000 1.093 462 D CA 0.146 54.127 54.000 -0.032 0.000 0.837 462 D CB -0.305 40.489 40.800 -0.011 0.000 0.948 462 D HN 0.361 nan 8.370 nan 0.000 0.507 463 D N 0.989 121.378 120.400 -0.018 0.000 2.344 463 D HA -0.014 4.628 4.640 0.003 0.000 0.253 463 D C 1.370 177.670 176.300 0.000 0.000 1.255 463 D CA 0.050 54.047 54.000 -0.005 0.000 0.894 463 D CB 0.934 41.728 40.800 -0.009 0.000 1.067 463 D HN -0.064 nan 8.370 nan 0.000 0.492 464 S N 1.752 117.455 115.700 0.004 0.000 2.440 464 S HA -0.209 4.263 4.470 0.003 0.000 0.238 464 S C 1.703 176.309 174.600 0.009 0.000 1.010 464 S CA 1.082 59.286 58.200 0.007 0.000 0.972 464 S CB -0.239 62.964 63.200 0.006 0.000 0.774 464 S HN 0.426 nan 8.310 nan 0.000 0.501 465 S N 0.140 115.845 115.700 0.009 0.000 2.575 465 S HA 0.305 4.777 4.470 0.003 0.000 0.215 465 S C 0.323 174.931 174.600 0.014 0.000 0.966 465 S CA -0.520 57.687 58.200 0.011 0.000 0.911 465 S CB -0.282 62.924 63.200 0.009 0.000 0.780 465 S HN 0.267 nan 8.310 nan 0.000 0.514 466 V N 3.188 123.111 119.914 0.015 0.000 2.532 466 V HA 0.467 4.589 4.120 0.003 0.000 0.295 466 V C 0.815 176.929 176.094 0.032 0.000 1.041 466 V CA -0.586 61.727 62.300 0.022 0.000 0.926 466 V CB 1.447 33.280 31.823 0.015 0.000 0.992 466 V HN 0.594 nan 8.190 nan 0.000 0.457 467 T N 0.627 115.209 114.554 0.047 0.000 2.898 467 T HA 0.187 4.539 4.350 0.003 0.000 0.301 467 T C 0.972 175.716 174.700 0.074 0.000 1.049 467 T CA -0.472 61.665 62.100 0.063 0.000 1.095 467 T CB 1.021 69.940 68.868 0.085 0.000 0.976 467 T HN 0.612 nan 8.240 nan 0.000 0.539 468 E N 0.651 120.898 120.200 0.079 0.000 2.085 468 E HA -0.190 4.162 4.350 0.003 0.000 0.194 468 E C 1.792 178.451 176.600 0.098 0.000 0.994 468 E CA 1.755 58.204 56.400 0.081 0.000 0.801 468 E CB -0.731 29.016 29.700 0.079 0.000 0.743 468 E HN 0.956 nan 8.360 nan 0.000 0.453 469 H N 1.171 120.259 119.070 0.031 0.000 2.290 469 H HA -0.103 4.455 4.556 0.003 0.000 0.298 469 H C 2.126 177.473 175.328 0.032 0.000 1.087 469 H CA 2.366 58.432 56.048 0.029 0.000 1.291 469 H CB 0.030 29.806 29.762 0.022 0.000 1.369 469 H HN 0.153 nan 8.280 nan 0.000 0.492 470 Q N 0.192 120.039 119.800 0.078 0.000 2.077 470 Q HA -0.194 4.149 4.340 0.003 0.000 0.206 470 Q C 2.312 178.311 176.000 -0.001 0.000 0.989 470 Q CA 1.863 57.678 55.803 0.019 0.000 0.853 470 Q CB -0.074 28.694 28.738 0.050 0.000 0.907 470 Q HN 0.472 nan 8.270 nan 0.000 0.418 471 K N 0.056 120.474 120.400 0.030 0.000 2.026 471 K HA -0.134 4.188 4.320 0.003 0.000 0.208 471 K C 2.144 178.782 176.600 0.062 0.000 1.048 471 K CA 1.379 57.707 56.287 0.068 0.000 0.929 471 K CB -0.177 32.368 32.500 0.076 0.000 0.713 471 K HN 0.017 nan 8.250 nan 0.000 0.439 472 V N 1.695 121.608 119.914 -0.002 0.000 2.287 472 V HA -0.275 3.847 4.120 0.003 0.000 0.248 472 V C 2.068 178.103 176.094 -0.099 0.000 1.053 472 V CA 1.816 64.091 62.300 -0.042 0.000 1.027 472 V CB -0.405 31.374 31.823 -0.072 0.000 0.646 472 V HN 0.350 nan 8.190 nan 0.000 0.447 473 E N -0.214 119.889 120.200 -0.161 0.000 2.070 473 E HA -0.253 4.099 4.350 0.003 0.000 0.197 473 E C 2.186 178.738 176.600 -0.080 0.000 1.004 473 E CA 1.687 58.003 56.400 -0.141 0.000 0.805 473 E CB -0.228 29.381 29.700 -0.151 0.000 0.744 473 E HN 0.516 nan 8.360 nan 0.000 0.451 474 L N 0.507 121.712 121.223 -0.031 0.000 2.093 474 L HA -0.158 4.184 4.340 0.003 0.000 0.208 474 L C 2.541 179.356 176.870 -0.092 0.000 1.085 474 L CA 0.470 55.316 54.840 0.009 0.000 0.755 474 L CB -0.311 41.813 42.059 0.108 0.000 0.904 474 L HN 0.217 nan 8.230 nan 0.000 0.435 475 L N -0.051 121.073 121.223 -0.166 0.000 1.970 475 L HA -0.258 4.084 4.340 0.003 0.000 0.212 475 L C 2.978 179.610 176.870 -0.396 0.000 1.071 475 L CA 1.598 56.079 54.840 -0.599 0.000 0.751 475 L CB -0.211 41.611 42.059 -0.395 0.000 0.889 475 L HN 0.161 nan 8.230 nan 0.000 0.432 476 R N -0.294 120.084 120.500 -0.202 0.000 2.105 476 R HA -0.240 4.102 4.340 0.003 0.000 0.239 476 R C 2.316 178.541 176.300 -0.125 0.000 1.135 476 R CA 1.832 57.850 56.100 -0.135 0.000 0.967 476 R CB -0.364 29.884 30.300 -0.087 0.000 0.861 476 R HN 0.408 nan 8.270 nan 0.000 0.442 477 K N 0.698 121.027 120.400 -0.118 0.000 2.155 477 K HA -0.023 4.299 4.320 0.003 0.000 0.203 477 K C 2.038 178.577 176.600 -0.101 0.000 1.052 477 K CA 1.036 57.275 56.287 -0.080 0.000 0.948 477 K CB 0.025 32.497 32.500 -0.047 0.000 0.728 477 K HN 0.125 nan 8.250 nan 0.000 0.448 478 A N 0.806 123.524 122.820 -0.170 0.000 1.873 478 A HA -0.075 4.247 4.320 0.003 0.000 0.215 478 A C 2.206 179.684 177.584 -0.177 0.000 1.186 478 A CA 1.500 53.431 52.037 -0.176 0.000 0.616 478 A CB -0.703 18.160 19.000 -0.230 0.000 0.823 478 A HN 0.137 nan 8.150 nan 0.000 0.442 479 V N 0.123 119.902 119.914 -0.224 0.000 2.255 479 V HA -0.370 3.753 4.120 0.003 0.000 0.247 479 V C 2.670 178.743 176.094 -0.036 0.000 1.051 479 V CA 2.447 64.669 62.300 -0.130 0.000 1.018 479 V CB -1.088 30.666 31.823 -0.115 0.000 0.641 479 V HN 0.654 nan 8.190 nan 0.000 0.445 480 Q N -0.379 119.393 119.800 -0.048 0.000 2.124 480 Q HA -0.145 4.197 4.340 0.003 0.000 0.202 480 Q C 2.365 178.360 176.000 -0.008 0.000 0.977 480 Q CA 1.639 57.434 55.803 -0.013 0.000 0.850 480 Q CB -0.412 28.316 28.738 -0.017 0.000 0.901 480 Q HN 0.697 nan 8.270 nan 0.000 0.429 481 A N 0.168 122.961 122.820 -0.045 0.000 1.930 481 A HA -0.234 4.088 4.320 0.003 0.000 0.217 481 A C 1.723 179.176 177.584 -0.218 0.000 1.175 481 A CA 1.742 53.740 52.037 -0.064 0.000 0.627 481 A CB -0.653 18.290 19.000 -0.096 0.000 0.815 481 A HN 0.461 nan 8.150 nan 0.000 0.443 482 H N -0.571 118.308 119.070 -0.318 0.000 2.357 482 H HA -0.047 4.511 4.556 0.003 0.000 0.301 482 H C 2.288 177.562 175.328 -0.090 0.000 1.082 482 H CA 1.801 57.654 56.048 -0.324 0.000 1.342 482 H CB -0.093 29.544 29.762 -0.207 0.000 1.389 482 H HN 0.352 nan 8.280 nan 0.000 0.511 483 R N 0.168 120.701 120.500 0.055 0.000 2.083 483 R HA -0.121 4.221 4.340 0.003 0.000 0.237 483 R C 2.450 178.770 176.300 0.033 0.000 1.137 483 R CA 1.447 57.578 56.100 0.051 0.000 0.951 483 R CB -0.878 29.462 30.300 0.067 0.000 0.851 483 R HN 0.538 nan 8.270 nan 0.000 0.434 484 G N -0.257 108.583 108.800 0.066 0.000 2.440 484 G HA2 -0.275 3.688 3.960 0.003 0.000 0.218 484 G HA3 -0.275 3.688 3.960 0.003 0.000 0.218 484 G C 1.409 176.413 174.900 0.174 0.000 1.154 484 G CA 0.926 46.098 45.100 0.121 0.000 0.767 484 G HN 0.470 nan 8.290 nan 0.000 0.552 485 Y N 0.584 120.824 120.300 -0.099 0.000 2.224 485 Y HA -0.132 4.420 4.550 0.003 0.000 0.289 485 Y C 3.390 179.199 175.900 -0.151 0.000 1.146 485 Y CA 0.896 58.919 58.100 -0.129 0.000 1.182 485 Y CB -0.349 38.007 38.460 -0.173 0.000 0.983 485 Y HN 0.132 nan 8.280 nan 0.000 0.524 486 T N -0.274 114.252 114.554 -0.047 0.000 2.746 486 T HA -0.173 4.179 4.350 0.003 0.000 0.267 486 T C 1.183 175.884 174.700 0.001 0.000 1.039 486 T CA 1.685 63.742 62.100 -0.072 0.000 1.142 486 T CB -0.352 68.471 68.868 -0.075 0.000 0.866 486 T HN 0.321 nan 8.240 nan 0.000 0.444 487 D N 0.570 120.986 120.400 0.027 0.000 2.183 487 D HA 0.021 4.663 4.640 0.003 0.000 0.203 487 D C 2.370 178.702 176.300 0.053 0.000 0.969 487 D CA 0.683 54.707 54.000 0.040 0.000 0.842 487 D CB -0.165 40.662 40.800 0.044 0.000 0.957 487 D HN 0.291 nan 8.370 nan 0.000 0.484 488 R N 0.560 121.094 120.500 0.057 0.000 2.075 488 R HA 0.017 4.360 4.340 0.003 0.000 0.232 488 R C 2.241 178.583 176.300 0.069 0.000 1.126 488 R CA 1.059 57.200 56.100 0.068 0.000 0.963 488 R CB -0.145 30.189 30.300 0.057 0.000 0.858 488 R HN 0.067 nan 8.270 nan 0.000 0.435 489 A N 1.036 123.878 122.820 0.036 0.000 1.933 489 A HA -0.136 4.186 4.320 0.003 0.000 0.218 489 A C 2.044 179.655 177.584 0.045 0.000 1.175 489 A CA 1.207 53.251 52.037 0.012 0.000 0.628 489 A CB -0.410 18.560 19.000 -0.049 0.000 0.814 489 A HN 0.210 nan 8.150 nan 0.000 0.444 490 I N -0.784 119.817 120.570 0.052 0.000 2.830 490 I HA -0.145 4.027 4.170 0.003 0.000 0.263 490 I C 1.712 177.929 176.117 0.166 0.000 1.230 490 I CA 0.706 62.052 61.300 0.076 0.000 1.480 490 I CB -0.079 37.942 38.000 0.035 0.000 1.095 490 I HN 0.287 nan 8.210 nan 0.000 0.455 491 R N 0.666 121.279 120.500 0.190 0.000 2.426 491 R HA 0.284 4.626 4.340 0.003 0.000 0.263 491 R C 1.134 177.665 176.300 0.385 0.000 0.961 491 R CA 0.584 56.866 56.100 0.303 0.000 1.086 491 R CB 0.346 30.756 30.300 0.183 0.000 1.186 491 R HN 0.322 nan 8.270 nan 0.000 0.537 492 G N 1.651 110.601 108.800 0.249 0.000 2.143 492 G HA2 -0.294 3.668 3.960 0.003 0.000 0.249 492 G HA3 -0.294 3.668 3.960 0.003 0.000 0.249 492 G C 0.367 175.286 174.900 0.032 0.000 0.981 492 G CA 0.096 45.202 45.100 0.010 0.000 0.665 492 G HN 0.474 nan 8.290 nan 0.000 0.528 493 E N -0.166 120.086 120.200 0.087 0.000 2.501 493 E HA 0.542 4.894 4.350 0.003 0.000 0.201 493 E C 1.678 178.376 176.600 0.164 0.000 1.016 493 E CA 0.230 56.697 56.400 0.111 0.000 0.920 493 E CB 0.525 30.302 29.700 0.127 0.000 1.023 493 E HN 0.733 nan 8.360 nan 0.000 0.474 494 A N 0.434 123.321 122.820 0.112 0.000 2.262 494 A HA 0.251 4.573 4.320 0.003 0.000 0.273 494 A C 0.544 178.260 177.584 0.221 0.000 1.202 494 A CA 0.022 52.123 52.037 0.108 0.000 0.811 494 A CB 0.029 18.996 19.000 -0.056 0.000 1.159 494 A HN 0.366 nan 8.150 nan 0.000 0.505 495 F N -3.530 116.525 119.950 0.175 0.000 2.789 495 F HA 0.317 4.847 4.527 0.005 0.000 0.320 495 F C 0.857 176.781 175.800 0.206 0.000 1.079 495 F CA 0.311 58.445 58.000 0.224 0.000 1.205 495 F CB -0.212 38.927 39.000 0.231 0.000 1.046 495 F HN 0.462 nan 8.300 nan 0.000 0.586 496 D N 1.129 121.360 120.400 -0.282 0.000 2.117 496 D HA -0.085 4.557 4.640 0.003 0.000 0.198 496 D C 2.090 178.456 176.300 0.111 0.000 0.982 496 D CA 1.308 55.264 54.000 -0.074 0.000 0.828 496 D CB 0.056 40.764 40.800 -0.154 0.000 0.967 496 D HN 0.021 nan 8.370 nan 0.000 0.464 497 R N -0.312 120.225 120.500 0.061 0.000 2.148 497 R HA -0.077 4.265 4.340 0.003 0.000 0.223 497 R C 2.047 178.599 176.300 0.421 0.000 1.088 497 R CA 0.751 56.923 56.100 0.120 0.000 0.985 497 R CB -0.932 29.314 30.300 -0.091 0.000 0.880 497 R HN 0.552 nan 8.270 nan 0.000 0.451 498 H N 0.678 119.938 119.070 0.318 0.000 2.353 498 H HA 0.007 4.565 4.556 0.003 0.000 0.300 498 H C 1.967 177.438 175.328 0.239 0.000 1.090 498 H CA 1.079 57.321 56.048 0.323 0.000 1.327 498 H CB 0.242 30.140 29.762 0.227 0.000 1.383 498 H HN 0.052 nan 8.280 nan 0.000 0.508 499 L N 0.434 121.760 121.223 0.172 0.000 2.046 499 L HA -0.185 4.157 4.340 0.003 0.000 0.208 499 L C 2.759 179.586 176.870 -0.072 0.000 1.077 499 L CA 0.700 55.585 54.840 0.075 0.000 0.747 499 L CB -0.447 41.747 42.059 0.225 0.000 0.896 499 L HN 0.337 nan 8.230 nan 0.000 0.432 500 L N 0.441 121.694 121.223 0.051 0.000 2.046 500 L HA -0.053 4.289 4.340 0.003 0.000 0.208 500 L C 2.334 179.145 176.870 -0.100 0.000 1.077 500 L CA 2.084 56.894 54.840 -0.050 0.000 0.747 500 L CB -1.010 41.114 42.059 0.107 0.000 0.896 500 L HN 0.101 nan 8.230 nan 0.000 0.432 501 G N -0.347 108.560 108.800 0.179 0.000 2.422 501 G HA2 -0.220 3.742 3.960 0.003 0.000 0.218 501 G HA3 -0.220 3.742 3.960 0.003 0.000 0.218 501 G C 1.597 176.489 174.900 -0.014 0.000 1.146 501 G CA 1.066 46.332 45.100 0.276 0.000 0.769 501 G HN 0.443 nan 8.290 nan 0.000 0.547 502 L N -0.017 121.191 121.223 -0.025 0.000 2.046 502 L HA -0.040 4.302 4.340 0.003 0.000 0.208 502 L C 2.814 179.605 176.870 -0.133 0.000 1.077 502 L CA 1.545 56.388 54.840 0.006 0.000 0.747 502 L CB -0.327 41.834 42.059 0.171 0.000 0.896 502 L HN 0.220 nan 8.230 nan 0.000 0.432 503 K N 0.643 120.733 120.400 -0.517 0.000 2.032 503 K HA -0.186 4.136 4.320 0.003 0.000 0.209 503 K C 2.115 178.466 176.600 -0.416 0.000 1.048 503 K CA 1.417 57.303 56.287 -0.667 0.000 0.927 503 K CB -0.087 31.776 32.500 -1.062 0.000 0.712 503 K HN 0.230 nan 8.250 nan 0.000 0.441 504 L N 0.554 121.454 121.223 -0.538 0.000 2.141 504 L HA -0.148 4.194 4.340 0.003 0.000 0.209 504 L C 2.675 179.259 176.870 -0.478 0.000 1.094 504 L CA 0.931 55.347 54.840 -0.707 0.000 0.763 504 L CB -0.414 40.738 42.059 -1.511 0.000 0.908 504 L HN 0.308 nan 8.230 nan 0.000 0.437 505 Q N 0.677 120.292 119.800 -0.307 0.000 2.170 505 Q HA -0.164 4.178 4.340 0.003 0.000 0.203 505 Q C 2.188 178.202 176.000 0.024 0.000 0.976 505 Q CA 1.829 57.654 55.803 0.037 0.000 0.858 505 Q CB -0.146 28.672 28.738 0.133 0.000 0.907 505 Q HN 0.428 nan 8.270 nan 0.000 0.433 506 A N 0.182 122.988 122.820 -0.024 0.000 1.902 506 A HA -0.164 4.158 4.320 0.003 0.000 0.217 506 A C 2.086 179.667 177.584 -0.005 0.000 1.181 506 A CA 1.586 53.628 52.037 0.008 0.000 0.623 506 A CB -0.730 18.284 19.000 0.023 0.000 0.818 506 A HN 0.482 nan 8.150 nan 0.000 0.443 507 I N -0.408 120.132 120.570 -0.051 0.000 2.286 507 I HA -0.261 3.911 4.170 0.003 0.000 0.248 507 I C 2.492 178.621 176.117 0.020 0.000 1.115 507 I CA 1.785 63.066 61.300 -0.030 0.000 1.392 507 I CB -0.268 37.690 38.000 -0.070 0.000 1.065 507 I HN 0.605 nan 8.210 nan 0.000 0.418 508 E N 1.207 121.440 120.200 0.055 0.000 2.110 508 E HA -0.256 4.096 4.350 0.003 0.000 0.193 508 E C 1.372 178.019 176.600 0.079 0.000 0.988 508 E CA 1.652 58.120 56.400 0.113 0.000 0.804 508 E CB -0.032 29.797 29.700 0.215 0.000 0.745 508 E HN 0.358 nan 8.360 nan 0.000 0.458 509 D N 0.168 120.606 120.400 0.062 0.000 2.363 509 D HA 0.033 4.675 4.640 0.003 0.000 0.226 509 D C 0.366 176.686 176.300 0.032 0.000 1.020 509 D CA 0.406 54.433 54.000 0.046 0.000 0.892 509 D CB 0.179 41.004 40.800 0.041 0.000 0.900 509 D HN 0.282 nan 8.370 nan 0.000 0.531 510 L N -0.562 120.678 121.223 0.029 0.000 3.730 510 L HA -0.188 4.155 4.340 0.003 0.000 0.410 510 L C -0.082 176.799 176.870 0.018 0.000 1.234 510 L CA -0.096 54.757 54.840 0.021 0.000 0.911 510 L CB -2.189 39.882 42.059 0.020 0.000 1.942 510 L HN -0.025 nan 8.230 nan 0.000 0.860 511 V N -3.200 116.726 119.914 0.020 0.000 3.019 511 V HA 0.870 4.992 4.120 0.003 0.000 0.317 511 V C 0.764 176.870 176.094 0.021 0.000 1.094 511 V CA -0.102 62.211 62.300 0.021 0.000 1.000 511 V CB 1.907 33.747 31.823 0.028 0.000 1.060 511 V HN 0.346 nan 8.190 nan 0.000 0.443 512 S N 1.270 116.983 115.700 0.022 0.000 2.584 512 S HA 0.220 4.692 4.470 0.003 0.000 0.270 512 S C 0.388 175.010 174.600 0.037 0.000 1.346 512 S CA 0.091 58.304 58.200 0.021 0.000 1.018 512 S CB 0.158 63.368 63.200 0.018 0.000 0.899 512 S HN 1.204 nan 8.310 nan 0.000 0.542 513 T N 4.415 118.989 114.554 0.033 0.000 2.709 513 T HA 0.112 4.465 4.350 0.003 0.000 0.269 513 T C -2.222 172.530 174.700 0.087 0.000 1.008 513 T CA -0.177 61.962 62.100 0.064 0.000 1.194 513 T CB -0.837 68.060 68.868 0.047 0.000 0.986 513 T HN 0.557 nan 8.240 nan 0.000 0.508 514 P HA 0.051 nan 4.420 nan 0.000 0.266 514 P C 0.733 177.946 177.300 -0.145 0.000 1.193 514 P CA -0.253 62.861 63.100 0.023 0.000 0.770 514 P CB 0.506 32.209 31.700 0.005 0.000 0.836 515 D N 2.050 122.347 120.400 -0.172 0.000 2.182 515 D HA -0.144 4.498 4.640 0.003 0.000 0.201 515 D C 1.704 177.810 176.300 -0.325 0.000 0.986 515 D CA 1.256 55.150 54.000 -0.177 0.000 0.847 515 D CB -0.323 40.400 40.800 -0.129 0.000 0.942 515 D HN 0.500 nan 8.370 nan 0.000 0.467 516 I N -2.345 117.841 120.570 -0.639 0.000 2.567 516 I HA -0.187 3.985 4.170 0.003 0.000 0.257 516 I C 1.378 177.005 176.117 -0.816 0.000 1.184 516 I CA 1.163 61.982 61.300 -0.801 0.000 1.451 516 I CB -0.457 36.795 38.000 -1.248 0.000 1.089 516 I HN -0.233 nan 8.210 nan 0.000 0.441 517 F N 0.585 120.249 119.950 -0.477 0.000 2.754 517 F HA 0.318 4.847 4.527 0.005 0.000 0.297 517 F C 2.022 177.757 175.800 -0.109 0.000 1.122 517 F CA 0.429 58.121 58.000 -0.513 0.000 1.400 517 F CB -0.378 38.307 39.000 -0.526 0.000 1.117 517 F HN -0.001 nan 8.300 nan 0.000 0.587 518 M N -0.692 118.927 119.600 0.033 0.000 2.428 518 M HA 0.060 4.542 4.480 0.003 0.000 0.239 518 M C 0.040 176.380 176.300 0.066 0.000 1.121 518 M CA -0.018 55.323 55.300 0.068 0.000 1.019 518 M CB 0.081 32.702 32.600 0.036 0.000 1.485 518 M HN -0.184 nan 8.290 nan 0.000 0.484 519 D N 0.562 120.988 120.400 0.045 0.000 2.455 519 D HA -0.031 4.612 4.640 0.003 0.000 0.241 519 D C 0.891 177.264 176.300 0.121 0.000 1.138 519 D CA 0.750 54.796 54.000 0.076 0.000 0.877 519 D CB 1.015 41.831 40.800 0.027 0.000 1.187 519 D HN 0.129 nan 8.370 nan 0.000 0.451 520 T N 2.630 117.244 114.554 0.101 0.000 2.708 520 T HA -0.335 4.017 4.350 0.003 0.000 0.227 520 T C 1.802 176.561 174.700 0.098 0.000 1.277 520 T CA 2.457 64.609 62.100 0.086 0.000 1.075 520 T CB -0.671 68.231 68.868 0.057 0.000 0.791 520 T HN 0.481 nan 8.240 nan 0.000 0.495 521 S N -0.616 115.160 115.700 0.126 0.000 2.395 521 S HA 0.046 4.518 4.470 0.003 0.000 0.225 521 S C 1.612 176.349 174.600 0.228 0.000 1.027 521 S CA 0.670 58.951 58.200 0.134 0.000 0.965 521 S CB -0.316 62.925 63.200 0.069 0.000 0.812 521 S HN 0.573 nan 8.310 nan 0.000 0.482 522 Y N 2.472 122.858 120.300 0.144 0.000 2.200 522 Y HA -0.001 4.551 4.550 0.003 0.000 0.290 522 Y C 2.399 178.356 175.900 0.094 0.000 1.137 522 Y CA 0.706 58.909 58.100 0.172 0.000 1.163 522 Y CB -0.758 37.779 38.460 0.128 0.000 0.988 522 Y HN 0.221 nan 8.280 nan 0.000 0.518 523 A N -0.022 122.854 122.820 0.093 0.000 1.902 523 A HA -0.167 4.155 4.320 0.003 0.000 0.217 523 A C 2.047 179.589 177.584 -0.069 0.000 1.181 523 A CA 1.878 53.900 52.037 -0.026 0.000 0.623 523 A CB -0.917 18.091 19.000 0.014 0.000 0.818 523 A HN 0.404 nan 8.150 nan 0.000 0.443 524 I N 0.202 120.762 120.570 -0.017 0.000 2.286 524 I HA -0.203 3.969 4.170 0.003 0.000 0.248 524 I C 2.819 178.904 176.117 -0.054 0.000 1.115 524 I CA 0.999 62.291 61.300 -0.014 0.000 1.392 524 I CB -1.503 36.517 38.000 0.034 0.000 1.065 524 I HN 0.340 nan 8.210 nan 0.000 0.418 525 A N -0.318 122.469 122.820 -0.055 0.000 2.015 525 A HA -0.104 4.218 4.320 0.003 0.000 0.219 525 A C 2.074 179.397 177.584 -0.436 0.000 1.163 525 A CA 1.170 53.165 52.037 -0.070 0.000 0.646 525 A CB -0.320 18.793 19.000 0.188 0.000 0.806 525 A HN 0.274 nan 8.150 nan 0.000 0.448 526 M N -0.697 118.572 119.600 -0.551 0.000 2.428 526 M HA 0.118 4.600 4.480 0.003 0.000 0.239 526 M C 0.449 176.298 176.300 -0.752 0.000 1.121 526 M CA 0.357 55.212 55.300 -0.741 0.000 1.019 526 M CB -0.693 31.547 32.600 -0.601 0.000 1.485 526 M HN 0.426 nan 8.290 nan 0.000 0.484 527 H N 0.577 119.254 119.070 -0.654 0.000 2.821 527 H HA 0.221 4.779 4.556 0.004 0.000 0.262 527 H C -1.249 173.784 175.328 -0.492 0.000 1.402 527 H CA -0.372 55.396 56.048 -0.466 0.000 1.293 527 H CB -0.170 29.409 29.762 -0.305 0.000 1.533 527 H HN -0.055 nan 8.280 nan 0.000 0.528 528 F N 4.203 124.024 119.950 -0.215 0.000 2.439 528 F HA 0.096 4.625 4.527 0.003 0.000 0.356 528 F C 1.697 177.419 175.800 -0.130 0.000 1.161 528 F CA -0.362 57.586 58.000 -0.085 0.000 1.151 528 F CB 0.444 39.429 39.000 -0.025 0.000 1.222 528 F HN 0.580 nan 8.300 nan 0.000 0.558 529 H N 3.111 122.294 119.070 0.189 0.000 2.495 529 H HA 0.108 4.666 4.556 0.003 0.000 0.287 529 H C 0.322 175.789 175.328 0.231 0.000 1.033 529 H CA 0.901 57.056 56.048 0.180 0.000 1.307 529 H CB 0.429 30.276 29.762 0.141 0.000 1.401 529 H HN 0.312 nan 8.280 nan 0.000 0.555 530 L N 0.959 122.351 121.223 0.282 0.000 2.343 530 L HA 0.234 4.576 4.340 0.003 0.000 0.278 530 L C -0.149 176.877 176.870 0.259 0.000 0.996 530 L CA -0.456 54.535 54.840 0.251 0.000 0.831 530 L CB 2.248 44.376 42.059 0.114 0.000 1.232 530 L HN -0.124 nan 8.230 nan 0.000 0.413 531 S N 2.332 118.194 115.700 0.270 0.000 2.474 531 S HA 0.722 5.194 4.470 0.003 0.000 0.321 531 S C -0.297 174.534 174.600 0.385 0.000 1.080 531 S CA -0.381 57.945 58.200 0.210 0.000 1.106 531 S CB 0.831 64.112 63.200 0.135 0.000 0.984 531 S HN 0.690 nan 8.310 nan 0.000 0.464 532 T N 0.990 115.774 114.554 0.383 0.000 2.901 532 T HA 0.843 5.195 4.350 0.003 0.000 0.293 532 T C -0.681 174.262 174.700 0.404 0.000 1.084 532 T CA -0.667 61.709 62.100 0.461 0.000 1.008 532 T CB 1.610 70.718 68.868 0.400 0.000 1.170 532 T HN 0.994 nan 8.240 nan 0.000 0.509 533 S N 0.849 116.763 115.700 0.356 0.000 2.535 533 S HA 0.424 4.896 4.470 0.003 0.000 0.272 533 S C -1.329 173.137 174.600 -0.224 0.000 1.149 533 S CA -0.847 57.432 58.200 0.133 0.000 0.888 533 S CB 1.855 65.157 63.200 0.171 0.000 1.110 533 S HN 1.138 nan 8.310 nan 0.000 0.463 534 Q N 2.359 121.946 119.800 -0.356 0.000 2.278 534 Q HA 0.626 4.968 4.340 0.003 0.000 0.257 534 Q C -1.435 174.405 176.000 -0.267 0.000 0.928 534 Q CA -0.710 54.693 55.803 -0.667 0.000 0.932 534 Q CB 1.290 29.791 28.738 -0.395 0.000 1.221 534 Q HN 0.686 nan 8.270 nan 0.000 0.434 535 V N 6.494 126.266 119.914 -0.237 0.000 2.383 535 V HA 0.315 4.437 4.120 0.003 0.000 0.264 535 V C -2.364 173.687 176.094 -0.071 0.000 1.001 535 V CA -1.524 60.716 62.300 -0.099 0.000 0.828 535 V CB 0.803 32.594 31.823 -0.053 0.000 1.069 535 V HN 0.795 nan 8.190 nan 0.000 0.451 536 P HA 0.528 nan 4.420 nan 0.000 0.271 536 P C -0.434 176.862 177.300 -0.007 0.000 1.216 536 P CA 0.228 63.317 63.100 -0.020 0.000 0.776 536 P CB 1.171 32.872 31.700 0.001 0.000 0.881 537 A N 2.516 125.336 122.820 0.000 0.000 2.486 537 A HA 0.440 4.762 4.320 0.003 0.000 0.300 537 A C 0.567 178.165 177.584 0.023 0.000 1.048 537 A CA -0.583 51.462 52.037 0.013 0.000 0.696 537 A CB 1.324 20.331 19.000 0.012 0.000 1.278 537 A HN 0.282 nan 8.150 nan 0.000 0.405 538 K N 0.292 120.713 120.400 0.034 0.000 2.148 538 K HA 0.027 4.349 4.320 0.003 0.000 0.204 538 K C 0.695 177.324 176.600 0.048 0.000 1.050 538 K CA 1.577 57.887 56.287 0.039 0.000 0.942 538 K CB -0.170 32.358 32.500 0.046 0.000 0.724 538 K HN 0.690 nan 8.250 nan 0.000 0.446 539 T N 1.449 116.034 114.554 0.053 0.000 2.919 539 T HA -0.009 4.343 4.350 0.003 0.000 0.302 539 T C -0.088 174.658 174.700 0.076 0.000 1.031 539 T CA -0.271 61.869 62.100 0.067 0.000 1.127 539 T CB 0.831 69.743 68.868 0.074 0.000 0.952 539 T HN 0.057 nan 8.240 nan 0.000 0.540 540 D N 2.257 122.716 120.400 0.098 0.000 2.688 540 D HA 0.172 4.814 4.640 0.003 0.000 0.228 540 D C 0.311 176.687 176.300 0.127 0.000 1.116 540 D CA -0.548 53.535 54.000 0.138 0.000 1.023 540 D CB -0.886 40.016 40.800 0.171 0.000 1.100 540 D HN 0.602 nan 8.370 nan 0.000 0.487 541 C N -0.355 119.006 119.300 0.101 0.000 2.668 541 C HA 0.906 5.368 4.460 0.003 0.000 0.355 541 C C -0.134 174.908 174.990 0.087 0.000 1.277 541 C CA -0.851 58.223 59.018 0.092 0.000 1.787 541 C CB 1.335 29.113 27.740 0.064 0.000 2.233 541 C HN 0.181 nan 8.230 nan 0.000 0.495 542 V N 1.323 121.289 119.914 0.088 0.000 3.012 542 V HA 0.648 4.770 4.120 0.003 0.000 0.307 542 V C -0.836 175.221 176.094 -0.062 0.000 1.166 542 V CA -0.465 61.888 62.300 0.089 0.000 0.974 542 V CB 2.048 33.996 31.823 0.208 0.000 1.040 542 V HN 1.142 nan 8.190 nan 0.000 0.428 543 M N 5.581 125.106 119.600 -0.125 0.000 2.644 543 M HA 0.856 5.338 4.480 0.003 0.000 0.316 543 M C -1.803 174.328 176.300 -0.283 0.000 1.200 543 M CA -0.340 54.729 55.300 -0.385 0.000 0.944 543 M CB 1.880 34.409 32.600 -0.119 0.000 1.691 543 M HN 0.673 nan 8.290 nan 0.000 0.471 544 F N 1.021 120.995 119.950 0.039 0.000 2.693 544 F HA 0.822 5.351 4.527 0.003 0.000 0.309 544 F C -1.638 174.153 175.800 -0.016 0.000 1.129 544 F CA -1.456 56.458 58.000 -0.145 0.000 0.948 544 F CB 0.842 39.770 39.000 -0.119 0.000 1.315 544 F HN 0.618 nan 8.300 nan 0.000 0.447 545 F N -1.349 118.755 119.950 0.257 0.000 2.741 545 F HA 0.897 5.426 4.527 0.003 0.000 0.313 545 F C -0.170 175.707 175.800 0.128 0.000 1.153 545 F CA -1.761 56.331 58.000 0.153 0.000 0.931 545 F CB 0.792 39.854 39.000 0.104 0.000 1.335 545 F HN 0.827 nan 8.300 nan 0.000 0.460 546 G N 0.134 109.154 108.800 0.366 0.000 2.537 546 G HA2 0.608 4.570 3.960 0.003 0.000 0.273 546 G HA3 0.608 4.570 3.960 0.003 0.000 0.273 546 G C -3.010 172.071 174.900 0.301 0.000 1.189 546 G CA -1.823 43.412 45.100 0.225 0.000 0.881 546 G HN 0.481 nan 8.290 nan 0.000 0.535 547 P HA 0.106 nan 4.420 nan 0.000 0.271 547 P C 1.060 178.547 177.300 0.312 0.000 1.233 547 P CA -0.235 62.957 63.100 0.152 0.000 0.789 547 P CB 0.975 32.629 31.700 -0.076 0.000 0.951 548 V N -0.808 119.220 119.914 0.191 0.000 3.660 548 V HA 0.183 4.306 4.120 0.003 0.000 0.276 548 V C 0.384 176.481 176.094 0.005 0.000 1.317 548 V CA 0.388 62.740 62.300 0.087 0.000 1.097 548 V CB -0.380 31.421 31.823 -0.037 0.000 0.863 548 V HN 0.330 nan 8.190 nan 0.000 0.438 549 V N -5.230 114.688 119.914 0.007 0.000 2.876 549 V HA 0.659 4.781 4.120 0.003 0.000 0.312 549 V C -2.003 174.138 176.094 0.078 0.000 1.085 549 V CA -1.898 60.321 62.300 -0.134 0.000 0.945 549 V CB 1.323 32.792 31.823 -0.589 0.000 1.017 549 V HN -0.017 nan 8.190 nan 0.000 0.428 550 P HA -0.122 nan 4.420 nan 0.000 0.216 550 P C 0.450 177.875 177.300 0.208 0.000 1.150 550 P CA 1.932 65.082 63.100 0.082 0.000 0.843 550 P CB 0.016 31.716 31.700 0.000 0.000 0.787 551 D N -1.805 118.695 120.400 0.166 0.000 2.525 551 D HA 0.220 4.862 4.640 0.003 0.000 0.229 551 D C 0.815 177.242 176.300 0.212 0.000 1.202 551 D CA -0.353 53.763 54.000 0.193 0.000 0.828 551 D CB -0.331 40.633 40.800 0.273 0.000 1.008 551 D HN 0.036 nan 8.370 nan 0.000 0.493 552 G N -0.942 107.929 108.800 0.119 0.000 3.175 552 G HA2 0.598 4.560 3.960 0.003 0.000 0.255 552 G HA3 0.598 4.560 3.960 0.003 0.000 0.255 552 G C -1.500 173.399 174.900 -0.001 0.000 1.352 552 G CA -0.834 44.370 45.100 0.173 0.000 1.037 552 G HN 0.105 nan 8.290 nan 0.000 0.556 553 Y N -1.547 118.845 120.300 0.153 0.000 2.576 553 Y HA 0.590 5.142 4.550 0.003 0.000 0.346 553 Y C 0.607 176.576 175.900 0.115 0.000 1.018 553 Y CA -0.719 57.442 58.100 0.101 0.000 1.050 553 Y CB 2.639 41.186 38.460 0.144 0.000 1.280 553 Y HN 0.704 nan 8.280 nan 0.000 0.474 554 G N 1.032 109.959 108.800 0.211 0.000 2.370 554 G HA2 0.568 4.531 3.960 0.003 0.000 0.317 554 G HA3 0.568 4.531 3.960 0.003 0.000 0.317 554 G C -1.728 173.168 174.900 -0.007 0.000 1.162 554 G CA -0.543 44.648 45.100 0.152 0.000 0.922 554 G HN 0.395 nan 8.290 nan 0.000 0.454 555 V N 1.600 121.581 119.914 0.111 0.000 2.531 555 V HA 0.609 4.731 4.120 0.003 0.000 0.301 555 V C -0.465 175.791 176.094 0.271 0.000 1.034 555 V CA -0.883 61.524 62.300 0.178 0.000 0.865 555 V CB 1.367 33.349 31.823 0.266 0.000 0.995 555 V HN 0.918 nan 8.190 nan 0.000 0.424 556 C N 6.331 125.774 119.300 0.237 0.000 2.888 556 C HA 0.971 5.433 4.460 0.003 0.000 0.308 556 C C -1.566 173.613 174.990 0.315 0.000 1.213 556 C CA -0.534 58.616 59.018 0.220 0.000 1.461 556 C CB 1.300 29.102 27.740 0.103 0.000 1.934 556 C HN 0.970 nan 8.230 nan 0.000 0.474 557 Y N 1.803 122.157 120.300 0.089 0.000 2.609 557 Y HA 0.548 5.100 4.550 0.003 0.000 0.336 557 Y C -0.775 175.061 175.900 -0.108 0.000 1.129 557 Y CA -1.245 56.785 58.100 -0.117 0.000 1.040 557 Y CB 0.989 39.154 38.460 -0.493 0.000 1.310 557 Y HN 0.730 nan 8.280 nan 0.000 0.460 558 N N 2.356 121.041 118.700 -0.026 0.000 2.569 558 N HA 0.464 5.206 4.740 0.003 0.000 0.254 558 N C -3.185 172.299 175.510 -0.043 0.000 1.004 558 N CA -1.904 51.126 53.050 -0.032 0.000 0.904 558 N CB 1.723 40.203 38.487 -0.012 0.000 1.165 558 N HN 0.321 nan 8.380 nan 0.000 0.513 559 P HA 0.173 nan 4.420 nan 0.000 0.281 559 P C -0.233 177.031 177.300 -0.061 0.000 1.286 559 P CA -0.081 63.013 63.100 -0.010 0.000 0.772 559 P CB 0.707 32.461 31.700 0.089 0.000 0.862 560 M N 1.682 121.173 119.600 -0.181 0.000 2.531 560 M HA 0.275 4.757 4.480 0.003 0.000 0.262 560 M C 1.686 177.927 176.300 -0.099 0.000 1.168 560 M CA -0.757 54.414 55.300 -0.215 0.000 0.926 560 M CB 0.074 32.360 32.600 -0.523 0.000 1.445 560 M HN 0.204 nan 8.290 nan 0.000 0.531 561 E N 1.257 121.428 120.200 -0.048 0.000 2.058 561 E HA -0.077 4.275 4.350 0.003 0.000 0.194 561 E C 1.172 177.821 176.600 0.082 0.000 0.997 561 E CA 2.314 58.730 56.400 0.028 0.000 0.801 561 E CB 0.071 29.795 29.700 0.041 0.000 0.746 561 E HN 0.709 nan 8.360 nan 0.000 0.450 562 A N -0.519 122.361 122.820 0.099 0.000 2.545 562 A HA 0.215 4.538 4.320 0.003 0.000 0.263 562 A C -0.044 177.705 177.584 0.274 0.000 1.202 562 A CA 0.024 52.180 52.037 0.199 0.000 0.959 562 A CB -0.166 18.949 19.000 0.192 0.000 1.124 562 A HN 0.473 nan 8.150 nan 0.000 0.543 563 H N -2.263 116.897 119.070 0.150 0.000 2.948 563 H HA 0.688 5.246 4.556 0.004 0.000 0.315 563 H C -2.022 173.398 175.328 0.153 0.000 1.360 563 H CA -1.229 54.907 56.048 0.146 0.000 1.125 563 H CB 0.799 30.621 29.762 0.101 0.000 1.844 563 H HN 0.009 nan 8.280 nan 0.000 0.529 564 I N 1.892 122.607 120.570 0.240 0.000 2.534 564 I HA 0.179 4.352 4.170 0.003 0.000 0.288 564 I C -0.981 175.177 176.117 0.068 0.000 1.077 564 I CA -0.807 60.502 61.300 0.015 0.000 1.051 564 I CB 1.997 39.915 38.000 -0.137 0.000 1.234 564 I HN 0.359 nan 8.210 nan 0.000 0.425 565 N N 5.934 124.638 118.700 0.006 0.000 2.419 565 N HA 0.489 5.231 4.740 0.003 0.000 0.264 565 N C -1.172 174.323 175.510 -0.025 0.000 1.031 565 N CA -0.051 53.060 53.050 0.102 0.000 0.951 565 N CB 1.058 39.637 38.487 0.153 0.000 1.101 565 N HN 0.286 nan 8.380 nan 0.000 0.488 566 F N 0.177 120.264 119.950 0.228 0.000 2.508 566 F HA 0.430 4.959 4.527 0.003 0.000 0.325 566 F C 0.813 176.721 175.800 0.181 0.000 1.090 566 F CA -0.766 57.362 58.000 0.214 0.000 0.945 566 F CB 1.588 40.676 39.000 0.147 0.000 1.156 566 F HN 0.280 nan 8.300 nan 0.000 0.463 567 S N 2.865 118.792 115.700 0.378 0.000 2.536 567 S HA 0.935 5.408 4.470 0.003 0.000 0.298 567 S C -1.424 173.274 174.600 0.163 0.000 1.083 567 S CA -0.690 57.652 58.200 0.237 0.000 0.995 567 S CB 1.769 65.127 63.200 0.263 0.000 1.058 567 S HN 0.441 nan 8.310 nan 0.000 0.488 568 L N 2.164 123.446 121.223 0.098 0.000 2.464 568 L HA 0.721 5.063 4.340 0.003 0.000 0.266 568 L C -0.208 176.699 176.870 0.063 0.000 0.965 568 L CA -0.326 54.570 54.840 0.094 0.000 0.833 568 L CB 2.382 44.514 42.059 0.121 0.000 1.296 568 L HN 0.990 nan 8.230 nan 0.000 0.405 569 S N 1.024 116.752 115.700 0.045 0.000 2.566 569 S HA 1.034 5.506 4.470 0.003 0.000 0.298 569 S C -0.632 173.908 174.600 -0.100 0.000 1.083 569 S CA -0.378 57.793 58.200 -0.048 0.000 0.978 569 S CB 2.464 65.588 63.200 -0.126 0.000 1.073 569 S HN 0.998 nan 8.310 nan 0.000 0.491 570 A N 0.807 123.477 122.820 -0.249 0.000 2.602 570 A HA 0.750 5.072 4.320 0.003 0.000 0.290 570 A C -2.136 175.185 177.584 -0.439 0.000 1.114 570 A CA -0.842 50.936 52.037 -0.432 0.000 0.683 570 A CB 0.710 19.452 19.000 -0.429 0.000 1.281 570 A HN 0.742 nan 8.150 nan 0.000 0.416 571 Y N 1.120 121.378 120.300 -0.069 0.000 2.342 571 Y HA 0.315 4.867 4.550 0.003 0.000 0.334 571 Y C 1.328 177.213 175.900 -0.024 0.000 1.067 571 Y CA -0.956 57.133 58.100 -0.018 0.000 1.128 571 Y CB 1.266 39.728 38.460 0.003 0.000 1.200 571 Y HN 0.703 nan 8.280 nan 0.000 0.464 572 N N 0.363 119.159 118.700 0.160 0.000 2.459 572 N HA -0.140 4.602 4.740 0.003 0.000 0.181 572 N C 1.850 177.404 175.510 0.074 0.000 1.046 572 N CA 1.159 54.260 53.050 0.085 0.000 0.904 572 N CB -0.163 38.363 38.487 0.064 0.000 0.964 572 N HN 0.700 nan 8.380 nan 0.000 0.444 573 S N -0.687 115.066 115.700 0.088 0.000 2.440 573 S HA -0.113 4.359 4.470 0.003 0.000 0.238 573 S C 1.165 175.798 174.600 0.054 0.000 1.010 573 S CA 0.278 58.509 58.200 0.052 0.000 0.972 573 S CB -0.477 62.736 63.200 0.021 0.000 0.774 573 S HN 0.361 nan 8.310 nan 0.000 0.501 574 C N 1.736 121.081 119.300 0.075 0.000 2.294 574 C HA 0.849 5.311 4.460 0.003 0.000 0.319 574 C C 1.615 176.638 174.990 0.055 0.000 1.164 574 C CA -0.665 58.393 59.018 0.066 0.000 1.497 574 C CB -0.295 27.495 27.740 0.083 0.000 2.061 574 C HN 0.572 nan 8.230 nan 0.000 0.438 575 A N 3.394 126.244 122.820 0.049 0.000 2.076 575 A HA -0.129 4.193 4.320 0.003 0.000 0.220 575 A C 1.864 179.481 177.584 0.055 0.000 1.160 575 A CA 1.758 53.821 52.037 0.044 0.000 0.653 575 A CB -0.271 18.749 19.000 0.034 0.000 0.801 575 A HN 0.921 nan 8.150 nan 0.000 0.455 576 E N -0.226 120.020 120.200 0.077 0.000 2.427 576 E HA -0.005 4.347 4.350 0.003 0.000 0.196 576 E C 0.547 177.257 176.600 0.183 0.000 1.028 576 E CA 0.823 57.296 56.400 0.121 0.000 0.864 576 E CB 0.050 29.844 29.700 0.157 0.000 0.813 576 E HN 0.739 nan 8.360 nan 0.000 0.514 577 T N -0.905 113.713 114.554 0.106 0.000 2.902 577 T HA 0.386 4.738 4.350 0.003 0.000 0.283 577 T C -0.274 174.464 174.700 0.063 0.000 1.009 577 T CA -1.013 61.129 62.100 0.071 0.000 1.051 577 T CB 1.564 70.212 68.868 -0.366 0.000 0.999 577 T HN -0.131 nan 8.240 nan 0.000 0.474 578 N N 0.698 119.530 118.700 0.220 0.000 2.571 578 N HA 0.334 5.076 4.740 0.003 0.000 0.286 578 N C 0.819 176.525 175.510 0.327 0.000 1.138 578 N CA -0.240 52.921 53.050 0.186 0.000 0.859 578 N CB 1.877 40.437 38.487 0.122 0.000 1.414 578 N HN 0.764 nan 8.380 nan 0.000 0.529 579 A N 3.413 126.389 122.820 0.259 0.000 1.883 579 A HA -0.101 4.221 4.320 0.003 0.000 0.217 579 A C 2.036 179.736 177.584 0.194 0.000 1.186 579 A CA 2.263 54.475 52.037 0.292 0.000 0.624 579 A CB -0.685 18.408 19.000 0.154 0.000 0.822 579 A HN 0.734 nan 8.150 nan 0.000 0.444 580 A N -0.690 122.216 122.820 0.143 0.000 1.969 580 A HA -0.116 4.206 4.320 0.003 0.000 0.218 580 A C 2.199 179.872 177.584 0.149 0.000 1.169 580 A CA 1.775 53.885 52.037 0.123 0.000 0.635 580 A CB -0.420 18.636 19.000 0.094 0.000 0.810 580 A HN 0.586 nan 8.150 nan 0.000 0.445 581 R N -0.890 119.703 120.500 0.154 0.000 2.062 581 R HA -0.047 4.295 4.340 0.003 0.000 0.229 581 R C 1.988 178.400 176.300 0.186 0.000 1.128 581 R CA 1.420 57.631 56.100 0.185 0.000 0.960 581 R CB -0.420 29.944 30.300 0.106 0.000 0.855 581 R HN 0.390 nan 8.270 nan 0.000 0.432 582 L N 0.754 122.019 121.223 0.069 0.000 2.046 582 L HA -0.043 4.299 4.340 0.003 0.000 0.208 582 L C 2.202 179.064 176.870 -0.013 0.000 1.077 582 L CA 2.147 56.943 54.840 -0.073 0.000 0.747 582 L CB -0.771 41.085 42.059 -0.338 0.000 0.896 582 L HN 0.292 nan 8.230 nan 0.000 0.432 583 A N -1.145 121.694 122.820 0.032 0.000 1.883 583 A HA -0.336 3.986 4.320 0.003 0.000 0.217 583 A C 2.308 179.924 177.584 0.052 0.000 1.186 583 A CA 1.946 53.986 52.037 0.005 0.000 0.624 583 A CB -1.150 17.887 19.000 0.062 0.000 0.822 583 A HN 0.738 nan 8.150 nan 0.000 0.444 584 H N -1.870 117.232 119.070 0.053 0.000 2.319 584 H HA -0.203 4.355 4.556 0.004 0.000 0.299 584 H C 1.736 177.063 175.328 -0.002 0.000 1.092 584 H CA 2.305 58.374 56.048 0.035 0.000 1.302 584 H CB -0.483 29.307 29.762 0.047 0.000 1.373 584 H HN 0.523 nan 8.280 nan 0.000 0.497 585 Y N -0.559 119.596 120.300 -0.241 0.000 2.293 585 Y HA -0.111 4.441 4.550 0.003 0.000 0.291 585 Y C 2.473 178.203 175.900 -0.283 0.000 1.137 585 Y CA 1.165 59.074 58.100 -0.320 0.000 1.202 585 Y CB -0.411 37.930 38.460 -0.198 0.000 0.990 585 Y HN 0.316 nan 8.280 nan 0.000 0.537 586 L N 0.405 121.557 121.223 -0.118 0.000 2.093 586 L HA -0.144 4.198 4.340 0.003 0.000 0.208 586 L C 2.220 178.900 176.870 -0.317 0.000 1.085 586 L CA 1.911 56.597 54.840 -0.257 0.000 0.755 586 L CB -0.749 41.074 42.059 -0.393 0.000 0.904 586 L HN 0.286 nan 8.230 nan 0.000 0.435 587 E N -0.429 119.633 120.200 -0.230 0.000 2.077 587 E HA -0.313 4.039 4.350 0.003 0.000 0.193 587 E C 2.121 178.655 176.600 -0.111 0.000 0.989 587 E CA 1.394 57.744 56.400 -0.083 0.000 0.800 587 E CB -0.036 29.726 29.700 0.105 0.000 0.746 587 E HN 0.348 nan 8.360 nan 0.000 0.452 588 K N 0.244 120.498 120.400 -0.244 0.000 2.097 588 K HA -0.036 4.286 4.320 0.003 0.000 0.205 588 K C 1.782 178.286 176.600 -0.160 0.000 1.050 588 K CA 1.227 57.365 56.287 -0.249 0.000 0.938 588 K CB -0.317 31.919 32.500 -0.441 0.000 0.718 588 K HN 0.251 nan 8.250 nan 0.000 0.442 589 A N 0.424 123.148 122.820 -0.161 0.000 1.873 589 A HA -0.116 4.206 4.320 0.003 0.000 0.215 589 A C 2.115 179.658 177.584 -0.069 0.000 1.186 589 A CA 1.390 53.366 52.037 -0.102 0.000 0.616 589 A CB -0.707 18.233 19.000 -0.100 0.000 0.823 589 A HN 0.254 nan 8.150 nan 0.000 0.442 590 L N -0.539 120.611 121.223 -0.122 0.000 2.013 590 L HA -0.235 4.107 4.340 0.003 0.000 0.212 590 L C 2.615 179.650 176.870 0.276 0.000 1.073 590 L CA 1.403 56.257 54.840 0.024 0.000 0.753 590 L CB -0.605 41.167 42.059 -0.478 0.000 0.890 590 L HN 0.382 nan 8.230 nan 0.000 0.432 591 L N -0.638 120.671 121.223 0.142 0.000 2.042 591 L HA -0.248 4.094 4.340 0.003 0.000 0.210 591 L C 2.232 179.156 176.870 0.089 0.000 1.076 591 L CA 1.168 56.079 54.840 0.119 0.000 0.749 591 L CB -0.647 41.367 42.059 -0.075 0.000 0.893 591 L HN 0.303 nan 8.230 nan 0.000 0.432 592 D N -0.422 120.003 120.400 0.041 0.000 2.144 592 D HA -0.143 4.499 4.640 0.003 0.000 0.200 592 D C 2.331 178.686 176.300 0.091 0.000 0.978 592 D CA 1.204 55.225 54.000 0.036 0.000 0.833 592 D CB -0.054 40.744 40.800 -0.004 0.000 0.961 592 D HN 0.307 nan 8.370 nan 0.000 0.470 593 M N -0.050 119.629 119.600 0.132 0.000 2.132 593 M HA -0.103 4.380 4.480 0.003 0.000 0.263 593 M C 2.313 178.798 176.300 0.308 0.000 1.065 593 M CA 1.100 56.507 55.300 0.178 0.000 1.122 593 M CB -0.106 32.471 32.600 -0.038 0.000 1.365 593 M HN -0.103 nan 8.290 nan 0.000 0.411 594 R N 0.752 121.439 120.500 0.311 0.000 2.096 594 R HA -0.114 4.228 4.340 0.003 0.000 0.235 594 R C 2.100 178.370 176.300 -0.050 0.000 1.127 594 R CA 1.604 57.656 56.100 -0.080 0.000 0.968 594 R CB -0.240 29.649 30.300 -0.685 0.000 0.861 594 R HN 0.339 nan 8.270 nan 0.000 0.440 595 A N 1.301 124.129 122.820 0.014 0.000 1.930 595 A HA -0.135 4.187 4.320 0.003 0.000 0.217 595 A C 2.048 179.665 177.584 0.056 0.000 1.175 595 A CA 1.182 53.227 52.037 0.013 0.000 0.627 595 A CB -0.558 18.451 19.000 0.015 0.000 0.815 595 A HN 0.414 nan 8.150 nan 0.000 0.443 596 L N -0.217 121.059 121.223 0.088 0.000 2.046 596 L HA -0.098 4.244 4.340 0.003 0.000 0.208 596 L C 2.148 179.085 176.870 0.112 0.000 1.077 596 L CA 1.782 56.680 54.840 0.097 0.000 0.747 596 L CB -0.504 41.622 42.059 0.113 0.000 0.896 596 L HN 0.373 nan 8.230 nan 0.000 0.432 597 L N -0.984 120.337 121.223 0.164 0.000 2.217 597 L HA -0.142 4.200 4.340 0.003 0.000 0.211 597 L C 2.402 179.370 176.870 0.162 0.000 1.107 597 L CA 0.981 55.933 54.840 0.186 0.000 0.783 597 L CB -0.413 41.838 42.059 0.320 0.000 0.919 597 L HN 0.429 nan 8.230 nan 0.000 0.442 598 Q N -0.512 119.374 119.800 0.144 0.000 2.425 598 Q HA 0.029 4.371 4.340 0.003 0.000 0.204 598 Q C 1.167 177.210 176.000 0.072 0.000 0.933 598 Q CA 0.136 56.004 55.803 0.108 0.000 0.939 598 Q CB 0.319 29.097 28.738 0.066 0.000 1.044 598 Q HN 0.542 nan 8.270 nan 0.000 0.513 599 S N 0.000 115.740 115.700 0.067 0.000 2.498 599 S HA 0.000 4.472 4.470 0.003 0.000 0.327 599 S CA 0.000 58.233 58.200 0.055 0.000 1.107 599 S CB 0.000 63.232 63.200 0.053 0.000 0.593 599 S HN 0.000 nan 8.310 nan 0.000 0.517