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 1hi1_1_C DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.279 177.300 -0.036 0.000 1.155 1 P CA 0.000 63.077 63.100 -0.038 0.000 0.800 1 P CB 0.000 31.674 31.700 -0.044 0.000 0.726 2 R N 1.211 121.688 120.500 -0.039 0.000 7.250 2 R HA -0.038 4.295 4.340 -0.013 0.000 0.320 2 R C -0.373 175.894 176.300 -0.054 0.000 0.850 2 R CA 0.551 56.630 56.100 -0.035 0.000 1.796 2 R CB -0.624 29.661 30.300 -0.025 0.000 1.710 2 R HN 0.296 nan 8.270 nan 0.000 0.923 3 R N 3.444 123.911 120.500 -0.056 0.000 2.290 3 R HA 0.321 4.654 4.340 -0.013 0.000 0.197 3 R C 0.101 176.352 176.300 -0.083 0.000 0.913 3 R CA 1.128 57.180 56.100 -0.080 0.000 1.040 3 R CB 0.220 30.474 30.300 -0.077 0.000 0.992 3 R HN 1.128 nan 8.270 nan 0.000 0.500 4 A N 1.756 124.546 122.820 -0.049 0.000 2.302 4 A HA -0.064 4.248 4.320 -0.013 0.000 0.634 4 A C -2.519 175.046 177.584 -0.031 0.000 0.278 4 A CA -0.221 51.800 52.037 -0.026 0.000 0.218 4 A CB -1.110 17.866 19.000 -0.041 0.000 3.675 4 A HN 0.375 nan 8.150 nan 0.000 0.507 5 P HA 0.490 nan 4.420 nan 0.000 0.271 5 P C -0.071 177.156 177.300 -0.121 0.000 1.218 5 P CA 0.672 63.693 63.100 -0.133 0.000 0.780 5 P CB 1.252 32.928 31.700 -0.039 0.000 0.901 6 A N 2.747 125.369 122.820 -0.330 0.000 2.371 6 A HA 0.775 5.087 4.320 -0.013 0.000 0.311 6 A C -1.318 176.062 177.584 -0.341 0.000 1.068 6 A CA -0.493 51.521 52.037 -0.039 0.000 0.744 6 A CB 0.814 19.989 19.000 0.292 0.000 1.239 6 A HN 0.358 nan 8.150 nan 0.000 0.435 7 F N 2.311 122.355 119.950 0.157 0.000 2.556 7 F HA 0.618 5.139 4.527 -0.009 0.000 0.314 7 F C -2.292 173.596 175.800 0.148 0.000 1.106 7 F CA -2.265 55.815 58.000 0.133 0.000 0.911 7 F CB 2.406 41.487 39.000 0.134 0.000 1.190 7 F HN 0.335 nan 8.300 nan 0.000 0.448 8 P HA 0.169 nan 4.420 nan 0.000 0.279 8 P C 0.956 178.431 177.300 0.292 0.000 1.252 8 P CA -0.453 62.786 63.100 0.233 0.000 0.811 8 P CB 1.696 33.478 31.700 0.138 0.000 1.035 9 L N 1.778 123.189 121.223 0.312 0.000 2.089 9 L HA -0.260 4.072 4.340 -0.013 0.000 0.213 9 L C 2.295 179.306 176.870 0.234 0.000 1.079 9 L CA 2.838 57.889 54.840 0.350 0.000 0.758 9 L CB -0.699 41.544 42.059 0.307 0.000 0.891 9 L HN 0.496 nan 8.230 nan 0.000 0.433 10 S N -1.759 114.043 115.700 0.171 0.000 2.474 10 S HA -0.144 4.318 4.470 -0.013 0.000 0.235 10 S C 0.893 175.575 174.600 0.137 0.000 0.997 10 S CA 0.255 58.530 58.200 0.126 0.000 0.949 10 S CB -0.480 62.775 63.200 0.092 0.000 0.766 10 S HN 0.484 nan 8.310 nan 0.000 0.517 11 D N 0.841 121.348 120.400 0.178 0.000 2.382 11 D HA 0.062 4.694 4.640 -0.013 0.000 0.245 11 D C 1.219 177.592 176.300 0.122 0.000 1.120 11 D CA -0.208 53.895 54.000 0.172 0.000 0.890 11 D CB 0.915 41.878 40.800 0.271 0.000 1.201 11 D HN 0.129 nan 8.370 nan 0.000 0.433 12 I N 4.463 125.085 120.570 0.087 0.000 2.236 12 I HA -0.285 3.878 4.170 -0.013 0.000 0.249 12 I C 2.026 178.145 176.117 0.004 0.000 1.102 12 I CA 1.740 63.070 61.300 0.051 0.000 1.365 12 I CB -0.065 37.960 38.000 0.042 0.000 1.051 12 I HN 0.420 nan 8.210 nan 0.000 0.420 13 K N 0.131 120.482 120.400 -0.081 0.000 2.147 13 K HA -0.081 4.231 4.320 -0.013 0.000 0.205 13 K C 2.097 178.613 176.600 -0.141 0.000 1.049 13 K CA 1.317 57.472 56.287 -0.220 0.000 0.936 13 K CB -0.290 31.847 32.500 -0.605 0.000 0.722 13 K HN 0.506 nan 8.250 nan 0.000 0.446 14 A N 0.917 123.739 122.820 0.005 0.000 1.898 14 A HA -0.113 4.199 4.320 -0.013 0.000 0.214 14 A C 2.044 179.747 177.584 0.198 0.000 1.183 14 A CA 0.790 52.929 52.037 0.171 0.000 0.622 14 A CB -0.206 19.020 19.000 0.378 0.000 0.824 14 A HN 0.125 nan 8.150 nan 0.000 0.444 15 Q N -0.491 119.421 119.800 0.186 0.000 2.112 15 Q HA -0.153 4.179 4.340 -0.013 0.000 0.206 15 Q C 1.963 178.051 176.000 0.148 0.000 0.987 15 Q CA 1.348 57.275 55.803 0.207 0.000 0.858 15 Q CB -0.441 28.377 28.738 0.134 0.000 0.905 15 Q HN 0.602 nan 8.270 nan 0.000 0.420 16 M N -0.176 119.462 119.600 0.062 0.000 2.632 16 M HA -0.093 4.380 4.480 -0.013 0.000 0.256 16 M C 1.522 177.845 176.300 0.037 0.000 1.080 16 M CA 0.653 55.995 55.300 0.069 0.000 1.084 16 M CB -0.507 32.143 32.600 0.084 0.000 1.439 16 M HN 0.105 nan 8.290 nan 0.000 0.509 17 L N -0.949 120.157 121.223 -0.194 0.000 2.313 17 L HA 0.089 4.421 4.340 -0.013 0.000 0.214 17 L C 0.119 176.531 176.870 -0.763 0.000 1.119 17 L CA 0.990 55.488 54.840 -0.571 0.000 0.809 17 L CB -0.523 40.926 42.059 -1.018 0.000 0.933 17 L HN 0.030 nan 8.230 nan 0.000 0.449 18 F N -0.482 119.481 119.950 0.022 0.000 2.449 18 F HA 0.637 5.156 4.527 -0.013 0.000 0.342 18 F C 0.707 176.516 175.800 0.014 0.000 1.127 18 F CA -1.234 56.780 58.000 0.024 0.000 0.975 18 F CB 0.468 39.430 39.000 -0.064 0.000 1.146 18 F HN -0.181 nan 8.300 nan 0.000 0.444 19 A N 1.876 124.784 122.820 0.147 0.000 2.406 19 A HA 0.128 4.440 4.320 -0.013 0.000 0.243 19 A C 0.531 178.203 177.584 0.146 0.000 1.082 19 A CA -0.473 51.634 52.037 0.115 0.000 0.786 19 A CB 0.099 19.199 19.000 0.168 0.000 1.029 19 A HN 0.764 nan 8.150 nan 0.000 0.495 20 N N 1.565 120.336 118.700 0.119 0.000 3.027 20 N HA 0.035 4.768 4.740 -0.013 0.000 0.309 20 N C -0.452 175.108 175.510 0.082 0.000 1.222 20 N CA 0.328 53.429 53.050 0.086 0.000 1.187 20 N CB -0.774 37.752 38.487 0.065 0.000 1.458 20 N HN 0.753 nan 8.380 nan 0.000 0.535 21 N N -0.124 118.627 118.700 0.086 0.000 2.591 21 N HA 0.117 4.850 4.740 -0.013 0.000 0.263 21 N C 0.318 175.850 175.510 0.037 0.000 1.308 21 N CA -0.647 52.443 53.050 0.067 0.000 0.837 21 N CB 0.799 39.344 38.487 0.097 0.000 1.548 21 N HN -0.194 nan 8.380 nan 0.000 0.493 22 I N 1.565 122.145 120.570 0.017 0.000 2.091 22 I HA -0.266 3.897 4.170 -0.013 0.000 0.239 22 I C 2.447 178.545 176.117 -0.031 0.000 1.061 22 I CA 1.406 62.700 61.300 -0.010 0.000 1.317 22 I CB -0.704 37.291 38.000 -0.008 0.000 1.031 22 I HN 0.600 nan 8.210 nan 0.000 0.401 23 K N 0.899 121.294 120.400 -0.008 0.000 2.020 23 K HA -0.201 4.112 4.320 -0.013 0.000 0.212 23 K C 2.282 178.808 176.600 -0.123 0.000 1.050 23 K CA 1.979 58.250 56.287 -0.026 0.000 0.929 23 K CB -0.886 31.644 32.500 0.051 0.000 0.714 23 K HN 0.437 nan 8.250 nan 0.000 0.443 24 A N 1.805 124.607 122.820 -0.031 0.000 1.865 24 A HA -0.226 4.086 4.320 -0.013 0.000 0.217 24 A C 2.215 179.629 177.584 -0.282 0.000 1.191 24 A CA 1.585 53.548 52.037 -0.124 0.000 0.623 24 A CB -0.495 18.644 19.000 0.232 0.000 0.826 24 A HN 0.303 nan 8.150 nan 0.000 0.444 25 Q N -0.424 119.288 119.800 -0.146 0.000 2.112 25 Q HA -0.262 4.071 4.340 -0.013 0.000 0.206 25 Q C 2.193 178.026 176.000 -0.277 0.000 0.987 25 Q CA 2.078 57.760 55.803 -0.202 0.000 0.858 25 Q CB -0.518 28.163 28.738 -0.096 0.000 0.905 25 Q HN 0.841 nan 8.270 nan 0.000 0.420 26 Q N -0.151 119.521 119.800 -0.214 0.000 2.084 26 Q HA -0.113 4.219 4.340 -0.013 0.000 0.202 26 Q C 2.050 177.913 176.000 -0.229 0.000 0.978 26 Q CA 1.501 57.198 55.803 -0.177 0.000 0.844 26 Q CB -0.207 28.461 28.738 -0.116 0.000 0.898 26 Q HN 0.419 nan 8.270 nan 0.000 0.426 27 A N 0.789 123.368 122.820 -0.403 0.000 1.933 27 A HA -0.223 4.090 4.320 -0.013 0.000 0.218 27 A C 2.221 179.613 177.584 -0.320 0.000 1.175 27 A CA 1.817 53.590 52.037 -0.440 0.000 0.628 27 A CB -0.737 17.546 19.000 -1.196 0.000 0.814 27 A HN 0.480 nan 8.150 nan 0.000 0.444 28 S N -0.136 115.098 115.700 -0.777 0.000 2.402 28 S HA -0.138 4.325 4.470 -0.013 0.000 0.229 28 S C 1.678 176.169 174.600 -0.183 0.000 1.021 28 S CA 1.520 59.088 58.200 -1.054 0.000 0.974 28 S CB -0.277 61.677 63.200 -2.077 0.000 0.800 28 S HN 0.633 nan 8.310 nan 0.000 0.484 29 K N 0.115 120.433 120.400 -0.137 0.000 2.352 29 K HA 0.260 4.572 4.320 -0.013 0.000 0.194 29 K C 0.536 177.211 176.600 0.126 0.000 1.038 29 K CA -0.324 55.964 56.287 0.001 0.000 1.023 29 K CB 0.038 32.481 32.500 -0.096 0.000 0.840 29 K HN 0.112 nan 8.250 nan 0.000 0.519 30 R N 2.743 123.315 120.500 0.121 0.000 2.560 30 R HA -0.092 4.240 4.340 -0.013 0.000 0.296 30 R C -0.201 176.268 176.300 0.281 0.000 0.873 30 R CA 0.308 56.494 56.100 0.143 0.000 1.140 30 R CB -0.236 30.139 30.300 0.124 0.000 0.875 30 R HN 0.209 nan 8.270 nan 0.000 0.419 31 S N 4.042 119.861 115.700 0.197 0.000 2.669 31 S HA 0.316 4.779 4.470 -0.013 0.000 0.270 31 S C 0.037 174.767 174.600 0.216 0.000 1.225 31 S CA -0.925 57.426 58.200 0.252 0.000 0.991 31 S CB 0.603 63.898 63.200 0.159 0.000 0.987 31 S HN 0.507 nan 8.310 nan 0.000 0.552 32 F N 1.397 121.423 119.950 0.126 0.000 2.608 32 F HA 0.419 4.938 4.527 -0.013 0.000 0.380 32 F C 0.210 176.056 175.800 0.078 0.000 1.083 32 F CA 0.449 58.500 58.000 0.085 0.000 1.266 32 F CB 0.252 39.297 39.000 0.075 0.000 1.076 32 F HN 0.548 nan 8.300 nan 0.000 0.574 33 K N 4.253 124.212 120.400 -0.735 0.000 2.395 33 K HA 0.551 4.863 4.320 -0.013 0.000 0.247 33 K C -1.389 174.812 176.600 -0.665 0.000 0.973 33 K CA -0.794 55.214 56.287 -0.465 0.000 0.828 33 K CB 1.847 34.205 32.500 -0.236 0.000 1.272 33 K HN 0.752 nan 8.250 nan 0.000 0.439 34 E N -0.252 119.760 120.200 -0.314 0.000 2.390 34 E HA 0.691 5.034 4.350 -0.013 0.000 0.280 34 E C -1.536 174.820 176.600 -0.406 0.000 0.992 34 E CA -0.886 55.343 56.400 -0.285 0.000 0.790 34 E CB 1.887 31.662 29.700 0.124 0.000 1.248 34 E HN 0.691 nan 8.360 nan 0.000 0.447 35 G N 0.703 108.987 108.800 -0.861 0.000 2.386 35 G HA2 0.449 4.401 3.960 -0.013 0.000 0.302 35 G HA3 0.449 4.401 3.960 -0.013 0.000 0.302 35 G C -1.065 173.277 174.900 -0.931 0.000 1.629 35 G CA -0.325 44.267 45.100 -0.847 0.000 0.917 35 G HN 0.596 nan 8.290 nan 0.000 0.676 36 A N 0.610 123.083 122.820 -0.578 0.000 2.555 36 A HA 0.510 4.822 4.320 -0.013 0.000 0.233 36 A C 0.389 177.864 177.584 -0.180 0.000 1.060 36 A CA 0.338 52.239 52.037 -0.227 0.000 0.759 36 A CB 0.374 19.419 19.000 0.076 0.000 0.995 36 A HN 1.432 nan 8.150 nan 0.000 0.506 37 I N 0.361 120.868 120.570 -0.104 0.000 2.499 37 I HA 0.193 4.356 4.170 -0.013 0.000 0.296 37 I C 0.649 176.737 176.117 -0.048 0.000 0.992 37 I CA -0.372 60.881 61.300 -0.077 0.000 1.297 37 I CB 1.374 39.339 38.000 -0.058 0.000 1.410 37 I HN 0.746 nan 8.210 nan 0.000 0.507 38 E N 4.159 124.327 120.200 -0.054 0.000 1.861 38 E HA 0.080 4.423 4.350 -0.013 0.000 0.263 38 E C 0.534 177.077 176.600 -0.095 0.000 1.137 38 E CA -0.004 56.364 56.400 -0.054 0.000 0.944 38 E CB 0.384 30.060 29.700 -0.040 0.000 1.092 38 E HN 0.730 nan 8.360 nan 0.000 0.420 39 T N 3.238 117.713 114.554 -0.132 0.000 2.699 39 T HA -0.171 4.171 4.350 -0.013 0.000 0.268 39 T C -0.193 174.171 174.700 -0.560 0.000 1.036 39 T CA 1.528 63.463 62.100 -0.275 0.000 1.147 39 T CB -0.059 68.647 68.868 -0.270 0.000 0.862 39 T HN 0.339 nan 8.240 nan 0.000 0.446 40 Y N 0.103 120.402 120.300 -0.002 0.000 2.571 40 Y HA 0.309 4.852 4.550 -0.012 0.000 0.341 40 Y C -0.629 175.276 175.900 0.008 0.000 1.076 40 Y CA -2.136 55.979 58.100 0.024 0.000 1.029 40 Y CB 1.188 39.713 38.460 0.109 0.000 1.308 40 Y HN 0.070 nan 8.280 nan 0.000 0.461 41 E N 0.744 121.044 120.200 0.167 0.000 2.585 41 E HA 0.317 4.660 4.350 -0.013 0.000 0.252 41 E C 0.897 177.551 176.600 0.091 0.000 0.981 41 E CA 0.970 57.419 56.400 0.082 0.000 0.943 41 E CB 0.059 29.788 29.700 0.047 0.000 0.923 41 E HN 0.908 nan 8.360 nan 0.000 0.486 42 G N 2.991 111.821 108.800 0.049 0.000 2.176 42 G HA2 -0.278 3.674 3.960 -0.013 0.000 0.253 42 G HA3 -0.278 3.674 3.960 -0.013 0.000 0.253 42 G C -0.068 174.846 174.900 0.024 0.000 0.979 42 G CA -0.024 45.097 45.100 0.035 0.000 0.641 42 G HN 0.520 nan 8.290 nan 0.000 0.530 43 L N 1.151 122.391 121.223 0.029 0.000 2.342 43 L HA 0.602 4.935 4.340 -0.013 0.000 0.276 43 L C -0.455 176.371 176.870 -0.072 0.000 0.997 43 L CA -0.985 53.838 54.840 -0.029 0.000 0.838 43 L CB 1.169 43.207 42.059 -0.035 0.000 1.224 43 L HN 0.026 nan 8.230 nan 0.000 0.416 44 L N 3.281 124.476 121.223 -0.046 0.000 2.331 44 L HA 0.148 4.481 4.340 -0.013 0.000 0.278 44 L C 1.639 178.507 176.870 -0.002 0.000 1.106 44 L CA 0.574 55.405 54.840 -0.016 0.000 0.824 44 L CB 1.690 43.764 42.059 0.025 0.000 1.142 44 L HN 0.759 nan 8.230 nan 0.000 0.443 45 S N 2.516 118.242 115.700 0.044 0.000 2.440 45 S HA -0.140 4.323 4.470 -0.013 0.000 0.240 45 S C 1.271 176.089 174.600 0.363 0.000 1.014 45 S CA 1.333 59.664 58.200 0.218 0.000 0.980 45 S CB -0.245 63.093 63.200 0.231 0.000 0.775 45 S HN 0.449 nan 8.310 nan 0.000 0.499 46 V N 1.781 121.838 119.914 0.239 0.000 3.376 46 V HA 0.171 4.284 4.120 -0.013 0.000 0.313 46 V C 0.244 176.406 176.094 0.113 0.000 1.393 46 V CA -0.209 62.209 62.300 0.196 0.000 1.125 46 V CB -0.243 31.718 31.823 0.231 0.000 1.037 46 V HN 0.501 nan 8.190 nan 0.000 0.440 47 D N 1.119 121.599 120.400 0.134 0.000 2.493 47 D HA 0.024 4.656 4.640 -0.013 0.000 0.240 47 D C -1.411 174.917 176.300 0.046 0.000 1.142 47 D CA -1.174 52.875 54.000 0.081 0.000 0.872 47 D CB 1.919 42.775 40.800 0.094 0.000 1.173 47 D HN 0.152 nan 8.370 nan 0.000 0.467 48 P HA -0.141 nan 4.420 nan 0.000 0.216 48 P C 1.226 178.426 177.300 -0.166 0.000 1.153 48 P CA 1.412 64.445 63.100 -0.112 0.000 0.858 48 P CB 0.212 31.845 31.700 -0.112 0.000 0.789 49 R N -1.811 118.558 120.500 -0.219 0.000 2.083 49 R HA -0.156 4.176 4.340 -0.013 0.000 0.237 49 R C 2.216 178.237 176.300 -0.465 0.000 1.137 49 R CA 1.417 57.195 56.100 -0.537 0.000 0.951 49 R CB -1.302 28.452 30.300 -0.910 0.000 0.851 49 R HN 0.154 nan 8.270 nan 0.000 0.434 50 F N 0.970 120.770 119.950 -0.251 0.000 2.134 50 F HA -0.093 4.427 4.527 -0.013 0.000 0.299 50 F C 1.733 177.567 175.800 0.056 0.000 1.097 50 F CA 1.363 59.380 58.000 0.028 0.000 1.264 50 F CB -0.189 38.920 39.000 0.182 0.000 1.001 50 F HN -0.080 nan 8.300 nan 0.000 0.479 51 L N -1.300 119.893 121.223 -0.050 0.000 2.141 51 L HA -0.188 4.145 4.340 -0.013 0.000 0.209 51 L C 2.677 179.407 176.870 -0.233 0.000 1.094 51 L CA 1.322 55.983 54.840 -0.299 0.000 0.763 51 L CB -1.027 40.687 42.059 -0.575 0.000 0.908 51 L HN 0.157 nan 8.230 nan 0.000 0.437 52 S N 0.176 115.760 115.700 -0.194 0.000 2.348 52 S HA -0.234 4.229 4.470 -0.013 0.000 0.221 52 S C 1.998 176.537 174.600 -0.102 0.000 1.033 52 S CA 1.373 59.482 58.200 -0.152 0.000 1.010 52 S CB -0.358 62.726 63.200 -0.194 0.000 0.891 52 S HN 0.429 nan 8.310 nan 0.000 0.442 53 F N 2.058 121.828 119.950 -0.300 0.000 2.091 53 F HA -0.097 4.422 4.527 -0.013 0.000 0.299 53 F C 2.124 177.794 175.800 -0.215 0.000 1.103 53 F CA 1.995 59.835 58.000 -0.267 0.000 1.228 53 F CB -0.443 38.376 39.000 -0.302 0.000 0.984 53 F HN 0.141 nan 8.300 nan 0.000 0.477 54 K N 0.089 120.309 120.400 -0.301 0.000 2.057 54 K HA -0.244 4.069 4.320 -0.013 0.000 0.207 54 K C 2.009 178.535 176.600 -0.124 0.000 1.049 54 K CA 1.714 57.808 56.287 -0.321 0.000 0.931 54 K CB -0.487 31.974 32.500 -0.064 0.000 0.714 54 K HN 0.432 nan 8.250 nan 0.000 0.440 55 N N 0.809 119.548 118.700 0.065 0.000 2.120 55 N HA -0.208 4.524 4.740 -0.013 0.000 0.188 55 N C 1.861 177.375 175.510 0.006 0.000 1.024 55 N CA 1.266 54.374 53.050 0.097 0.000 0.852 55 N CB 0.144 38.730 38.487 0.165 0.000 1.003 55 N HN 0.184 nan 8.380 nan 0.000 0.424 56 E N -0.253 119.903 120.200 -0.074 0.000 2.047 56 E HA -0.182 4.160 4.350 -0.013 0.000 0.191 56 E C 1.949 178.489 176.600 -0.100 0.000 0.987 56 E CA 0.740 57.102 56.400 -0.063 0.000 0.799 56 E CB -0.088 29.560 29.700 -0.087 0.000 0.752 56 E HN 0.314 nan 8.360 nan 0.000 0.449 57 L N 1.117 122.146 121.223 -0.323 0.000 2.012 57 L HA -0.208 4.124 4.340 -0.013 0.000 0.210 57 L C 2.518 179.316 176.870 -0.121 0.000 1.073 57 L CA 2.486 57.124 54.840 -0.337 0.000 0.748 57 L CB -0.815 40.788 42.059 -0.760 0.000 0.891 57 L HN 0.209 nan 8.230 nan 0.000 0.431 58 S N -0.686 114.978 115.700 -0.060 0.000 2.368 58 S HA -0.231 4.231 4.470 -0.013 0.000 0.225 58 S C 2.098 176.871 174.600 0.288 0.000 1.030 58 S CA 1.204 59.487 58.200 0.137 0.000 0.999 58 S CB -0.682 62.661 63.200 0.238 0.000 0.844 58 S HN 0.526 nan 8.310 nan 0.000 0.459 59 R N -0.346 120.354 120.500 0.335 0.000 2.066 59 R HA -0.018 4.314 4.340 -0.013 0.000 0.232 59 R C 2.339 178.811 176.300 0.288 0.000 1.131 59 R CA 1.524 57.882 56.100 0.429 0.000 0.955 59 R CB -0.734 29.763 30.300 0.328 0.000 0.851 59 R HN 0.541 nan 8.270 nan 0.000 0.432 60 Y N 1.673 122.013 120.300 0.066 0.000 2.036 60 Y HA -0.297 4.245 4.550 -0.013 0.000 0.273 60 Y C 2.073 177.982 175.900 0.014 0.000 1.135 60 Y CA 1.564 59.658 58.100 -0.010 0.000 1.106 60 Y CB -0.475 37.906 38.460 -0.132 0.000 0.976 60 Y HN -0.113 nan 8.280 nan 0.000 0.483 61 L N 0.175 121.434 121.223 0.062 0.000 1.997 61 L HA -0.303 4.029 4.340 -0.013 0.000 0.216 61 L C 2.496 179.401 176.870 0.057 0.000 1.074 61 L CA 2.600 57.352 54.840 -0.146 0.000 0.763 61 L CB -1.714 39.761 42.059 -0.973 0.000 0.890 61 L HN 0.345 nan 8.230 nan 0.000 0.434 62 T N -1.268 113.381 114.554 0.158 0.000 2.665 62 T HA -0.256 4.087 4.350 -0.013 0.000 0.268 62 T C 1.631 176.407 174.700 0.127 0.000 1.035 62 T CA 1.801 64.025 62.100 0.207 0.000 1.151 62 T CB -0.364 68.394 68.868 -0.183 0.000 0.862 62 T HN 0.377 nan 8.240 nan 0.000 0.438 63 D N -0.261 120.200 120.400 0.102 0.000 2.117 63 D HA -0.106 4.527 4.640 -0.013 0.000 0.197 63 D C 1.743 177.972 176.300 -0.118 0.000 0.987 63 D CA 0.944 54.968 54.000 0.039 0.000 0.829 63 D CB 0.053 40.912 40.800 0.099 0.000 0.961 63 D HN 0.457 nan 8.370 nan 0.000 0.460 64 H N -2.135 116.663 119.070 -0.452 0.000 2.548 64 H HA 0.233 4.782 4.556 -0.013 0.000 0.265 64 H C -0.343 174.392 175.328 -0.987 0.000 0.969 64 H CA 0.384 55.950 56.048 -0.804 0.000 1.155 64 H CB 0.238 29.255 29.762 -1.240 0.000 1.394 64 H HN 0.099 nan 8.280 nan 0.000 0.570 65 F N 1.488 121.473 119.950 0.058 0.000 2.708 65 F HA 0.277 4.797 4.527 -0.012 0.000 0.344 65 F C -2.487 173.401 175.800 0.148 0.000 1.447 65 F CA -2.474 55.594 58.000 0.114 0.000 1.140 65 F CB 0.968 40.065 39.000 0.162 0.000 1.657 65 F HN -0.099 nan 8.300 nan 0.000 0.598 66 P HA 0.184 nan 4.420 nan 0.000 0.272 66 P C 0.099 177.450 177.300 0.084 0.000 1.230 66 P CA -0.072 63.089 63.100 0.102 0.000 0.788 66 P CB 1.132 32.859 31.700 0.045 0.000 0.949 67 A N 2.528 125.367 122.820 0.031 0.000 2.492 67 A HA 0.068 4.380 4.320 -0.013 0.000 0.236 67 A C 0.410 177.956 177.584 -0.063 0.000 1.078 67 A CA 0.260 52.288 52.037 -0.015 0.000 0.773 67 A CB -0.689 18.308 19.000 -0.005 0.000 1.023 67 A HN 0.582 nan 8.150 nan 0.000 0.504 68 N N 0.375 118.951 118.700 -0.208 0.000 2.844 68 N HA 0.406 5.138 4.740 -0.013 0.000 0.268 68 N C -1.537 173.644 175.510 -0.548 0.000 1.574 68 N CA -0.078 52.603 53.050 -0.615 0.000 0.838 68 N CB 1.327 39.191 38.487 -1.039 0.000 1.177 68 N HN 0.276 nan 8.380 nan 0.000 0.495 69 V N 1.259 121.133 119.914 -0.067 0.000 2.443 69 V HA 0.245 4.357 4.120 -0.013 0.000 0.293 69 V C 0.012 176.240 176.094 0.224 0.000 1.021 69 V CA -1.120 61.213 62.300 0.055 0.000 0.848 69 V CB 1.591 33.317 31.823 -0.161 0.000 0.998 69 V HN 0.401 nan 8.190 nan 0.000 0.424 70 D N 3.012 123.609 120.400 0.330 0.000 2.372 70 D HA 0.047 4.680 4.640 -0.013 0.000 0.243 70 D C 1.005 177.394 176.300 0.147 0.000 1.297 70 D CA -0.359 53.778 54.000 0.228 0.000 0.958 70 D CB 0.897 41.787 40.800 0.151 0.000 1.114 70 D HN 0.374 nan 8.370 nan 0.000 0.496 71 E N -1.250 119.005 120.200 0.092 0.000 2.171 71 E HA -0.198 4.144 4.350 -0.013 0.000 0.197 71 E C 0.791 177.237 176.600 -0.256 0.000 0.997 71 E CA 1.335 57.699 56.400 -0.061 0.000 0.810 71 E CB -0.429 29.165 29.700 -0.176 0.000 0.738 71 E HN 0.519 nan 8.360 nan 0.000 0.467 72 Y N -1.028 119.223 120.300 -0.082 0.000 2.532 72 Y HA 0.271 4.813 4.550 -0.013 0.000 0.283 72 Y C 1.461 177.456 175.900 0.159 0.000 1.181 72 Y CA 0.196 58.194 58.100 -0.170 0.000 1.256 72 Y CB 0.551 38.794 38.460 -0.362 0.000 1.112 72 Y HN 0.091 nan 8.280 nan 0.000 0.521 73 G N 0.967 109.954 108.800 0.312 0.000 2.166 73 G HA2 -0.329 3.624 3.960 -0.013 0.000 0.260 73 G HA3 -0.329 3.624 3.960 -0.013 0.000 0.260 73 G C 0.254 175.301 174.900 0.244 0.000 0.986 73 G CA -0.185 45.090 45.100 0.291 0.000 0.683 73 G HN 0.373 nan 8.290 nan 0.000 0.527 74 R N -0.367 120.278 120.500 0.241 0.000 2.357 74 R HA 0.561 4.894 4.340 -0.013 0.000 0.296 74 R C 0.270 176.755 176.300 0.309 0.000 1.052 74 R CA -0.118 56.140 56.100 0.263 0.000 0.988 74 R CB 2.158 32.408 30.300 -0.085 0.000 1.025 74 R HN 0.498 nan 8.270 nan 0.000 0.469 75 V N 4.073 124.194 119.914 0.344 0.000 2.483 75 V HA 0.588 4.700 4.120 -0.013 0.000 0.295 75 V C -1.056 175.206 176.094 0.280 0.000 1.035 75 V CA -0.350 62.068 62.300 0.197 0.000 0.896 75 V CB 0.842 32.707 31.823 0.069 0.000 0.986 75 V HN 0.807 nan 8.190 nan 0.000 0.447 76 Y N 3.928 124.317 120.300 0.149 0.000 2.876 76 Y HA 0.975 5.517 4.550 -0.012 0.000 0.317 76 Y C 0.932 176.900 175.900 0.115 0.000 1.369 76 Y CA -0.385 57.799 58.100 0.140 0.000 1.101 76 Y CB 0.607 39.145 38.460 0.130 0.000 1.346 76 Y HN 1.434 nan 8.280 nan 0.000 0.505 77 G N 1.502 110.453 108.800 0.251 0.000 2.602 77 G HA2 -0.465 3.488 3.960 -0.013 0.000 0.310 77 G HA3 -0.465 3.488 3.960 -0.013 0.000 0.310 77 G C 0.807 175.749 174.900 0.069 0.000 1.183 77 G CA 0.972 46.160 45.100 0.147 0.000 0.979 77 G HN 1.428 nan 8.290 nan 0.000 0.545 78 N N 2.077 120.795 118.700 0.030 0.000 2.459 78 N HA 0.244 4.977 4.740 -0.013 0.000 0.181 78 N C 1.731 177.274 175.510 0.055 0.000 1.046 78 N CA 1.233 54.335 53.050 0.086 0.000 0.904 78 N CB -0.025 38.565 38.487 0.171 0.000 0.964 78 N HN 2.253 nan 8.380 nan 0.000 0.444 79 G N 0.222 109.025 108.800 0.004 0.000 2.136 79 G HA2 -0.242 3.710 3.960 -0.013 0.000 0.242 79 G HA3 -0.242 3.710 3.960 -0.013 0.000 0.242 79 G C -0.248 174.665 174.900 0.022 0.000 0.989 79 G CA 0.131 45.247 45.100 0.025 0.000 0.682 79 G HN 0.249 nan 8.290 nan 0.000 0.522 80 V N 1.166 121.082 119.914 0.002 0.000 2.370 80 V HA 0.488 4.601 4.120 -0.013 0.000 0.279 80 V C 1.385 177.438 176.094 -0.068 0.000 1.029 80 V CA 0.115 62.407 62.300 -0.014 0.000 0.870 80 V CB 1.373 33.237 31.823 0.069 0.000 0.984 80 V HN 0.554 nan 8.190 nan 0.000 0.451 81 R N 2.436 122.885 120.500 -0.085 0.000 2.397 81 R HA 0.389 4.722 4.340 -0.013 0.000 0.241 81 R C 0.430 176.699 176.300 -0.053 0.000 0.914 81 R CA -0.007 56.060 56.100 -0.054 0.000 1.071 81 R CB 0.802 31.094 30.300 -0.014 0.000 1.116 81 R HN 0.596 nan 8.270 nan 0.000 0.524 82 T N 0.121 114.577 114.554 -0.163 0.000 2.700 82 T HA 0.105 4.448 4.350 -0.013 0.000 0.307 82 T C -1.431 173.040 174.700 -0.382 0.000 1.580 82 T CA -0.884 61.110 62.100 -0.177 0.000 0.992 82 T CB 0.981 69.777 68.868 -0.120 0.000 1.577 82 T HN 0.408 nan 8.240 nan 0.000 0.496 83 N N 0.322 118.833 118.700 -0.314 0.000 2.235 83 N HA 0.149 4.882 4.740 -0.013 0.000 0.231 83 N C 0.017 175.154 175.510 -0.622 0.000 1.330 83 N CA -0.042 52.731 53.050 -0.462 0.000 0.898 83 N CB 0.310 38.481 38.487 -0.525 0.000 1.151 83 N HN 0.486 nan 8.380 nan 0.000 0.472 84 F N -1.689 118.011 119.950 -0.417 0.000 2.654 84 F HA 0.365 4.885 4.527 -0.013 0.000 0.303 84 F C 0.986 176.738 175.800 -0.080 0.000 1.099 84 F CA -0.668 57.221 58.000 -0.185 0.000 1.270 84 F CB -0.172 38.763 39.000 -0.109 0.000 1.024 84 F HN 0.370 nan 8.300 nan 0.000 0.548 85 F N -0.091 119.937 119.950 0.130 0.000 2.546 85 F HA -0.048 4.471 4.527 -0.013 0.000 0.298 85 F C 2.391 178.164 175.800 -0.045 0.000 1.120 85 F CA 0.336 58.338 58.000 0.004 0.000 1.456 85 F CB -0.428 38.605 39.000 0.055 0.000 1.088 85 F HN 0.159 nan 8.300 nan 0.000 0.572 86 G N 1.430 110.342 108.800 0.188 0.000 2.462 86 G HA2 -0.305 3.648 3.960 -0.013 0.000 0.220 86 G HA3 -0.305 3.648 3.960 -0.013 0.000 0.220 86 G C 1.594 176.658 174.900 0.274 0.000 1.121 86 G CA 0.961 46.185 45.100 0.207 0.000 0.758 86 G HN 0.503 nan 8.290 nan 0.000 0.559 87 M N -0.454 119.267 119.600 0.202 0.000 2.562 87 M HA 0.252 4.724 4.480 -0.013 0.000 0.257 87 M C 1.271 177.644 176.300 0.122 0.000 1.099 87 M CA 0.580 56.012 55.300 0.219 0.000 1.099 87 M CB 0.043 32.766 32.600 0.205 0.000 1.427 87 M HN -0.109 nan 8.290 nan 0.000 0.489 88 R N 2.193 122.591 120.500 -0.171 0.000 4.902 88 R HA 0.163 4.495 4.340 -0.013 0.000 0.201 88 R C -0.751 175.261 176.300 -0.480 0.000 2.020 88 R CA 0.141 55.817 56.100 -0.706 0.000 1.674 88 R CB -0.757 28.786 30.300 -1.263 0.000 1.349 88 R HN 0.502 nan 8.270 nan 0.000 0.813 89 H N 0.585 119.775 119.070 0.201 0.000 2.690 89 H HA 0.233 4.782 4.556 -0.012 0.000 0.368 89 H C 0.275 175.830 175.328 0.378 0.000 1.150 89 H CA -0.962 55.267 56.048 0.302 0.000 1.174 89 H CB 1.878 31.776 29.762 0.225 0.000 1.684 89 H HN -0.018 nan 8.280 nan 0.000 0.538 90 M N 2.680 122.565 119.600 0.476 0.000 3.237 90 M HA 0.045 4.518 4.480 -0.013 0.000 0.266 90 M C -0.115 176.466 176.300 0.469 0.000 1.456 90 M CA -0.300 55.256 55.300 0.427 0.000 1.593 90 M CB -1.383 31.418 32.600 0.335 0.000 1.129 90 M HN 0.324 nan 8.290 nan 0.000 0.547 91 N N 1.897 120.815 118.700 0.364 0.000 2.292 91 N HA 0.078 4.810 4.740 -0.013 0.000 0.258 91 N C 1.380 176.934 175.510 0.073 0.000 1.261 91 N CA 1.288 54.467 53.050 0.215 0.000 0.845 91 N CB 0.572 39.179 38.487 0.200 0.000 1.064 91 N HN 0.892 nan 8.380 nan 0.000 0.471 92 G N 1.024 109.786 108.800 -0.063 0.000 2.218 92 G HA2 -0.234 3.718 3.960 -0.013 0.000 0.216 92 G HA3 -0.234 3.718 3.960 -0.013 0.000 0.216 92 G C -0.295 174.282 174.900 -0.539 0.000 0.994 92 G CA -0.497 44.406 45.100 -0.329 0.000 0.637 92 G HN 0.461 nan 8.290 nan 0.000 0.505 93 F N 3.438 123.415 119.950 0.046 0.000 2.382 93 F HA 0.495 5.015 4.527 -0.012 0.000 0.361 93 F C -1.673 174.198 175.800 0.118 0.000 1.109 93 F CA -2.209 55.844 58.000 0.088 0.000 1.031 93 F CB 2.249 41.320 39.000 0.117 0.000 1.234 93 F HN -0.122 nan 8.300 nan 0.000 0.445 94 P HA 0.163 nan 4.420 nan 0.000 0.276 94 P C -0.478 176.951 177.300 0.215 0.000 1.252 94 P CA -0.580 62.637 63.100 0.196 0.000 0.802 94 P CB 1.155 32.952 31.700 0.162 0.000 1.035 95 M N 0.796 120.474 119.600 0.130 0.000 2.245 95 M HA 0.394 4.867 4.480 -0.013 0.000 0.330 95 M C -0.413 175.926 176.300 0.064 0.000 1.098 95 M CA 0.574 55.931 55.300 0.096 0.000 1.172 95 M CB -0.055 32.567 32.600 0.036 0.000 1.467 95 M HN 0.077 nan 8.290 nan 0.000 0.454 96 I N 2.916 123.512 120.570 0.045 0.000 2.498 96 I HA 0.562 4.724 4.170 -0.013 0.000 0.290 96 I C -2.343 173.775 176.117 0.003 0.000 1.032 96 I CA -1.821 59.477 61.300 -0.003 0.000 1.073 96 I CB 1.865 39.851 38.000 -0.024 0.000 1.251 96 I HN 0.645 nan 8.210 nan 0.000 0.426 97 P HA 0.463 nan 4.420 nan 0.000 0.286 97 P C -0.789 176.414 177.300 -0.161 0.000 1.292 97 P CA -0.412 62.647 63.100 -0.069 0.000 0.842 97 P CB 1.968 33.686 31.700 0.031 0.000 1.207 98 A N 0.213 122.858 122.820 -0.291 0.000 2.272 98 A HA 0.445 4.757 4.320 -0.013 0.000 0.275 98 A C 0.557 177.951 177.584 -0.317 0.000 1.096 98 A CA -0.099 51.669 52.037 -0.448 0.000 0.822 98 A CB -0.557 17.773 19.000 -1.117 0.000 1.088 98 A HN 0.544 nan 8.150 nan 0.000 0.495 99 T N -0.715 113.718 114.554 -0.203 0.000 2.882 99 T HA 0.370 4.712 4.350 -0.013 0.000 0.287 99 T C -0.782 173.968 174.700 0.082 0.000 1.014 99 T CA 0.002 62.079 62.100 -0.039 0.000 1.049 99 T CB 0.020 68.871 68.868 -0.029 0.000 1.001 99 T HN 0.393 nan 8.240 nan 0.000 0.525 100 W N 4.484 125.804 121.300 0.033 0.000 2.365 100 W HA 0.403 5.055 4.660 -0.013 0.000 0.316 100 W C -1.843 174.713 176.519 0.063 0.000 1.164 100 W CA -2.082 55.324 57.345 0.101 0.000 1.204 100 W CB 0.666 30.196 29.460 0.117 0.000 1.213 100 W HN 0.484 nan 8.180 nan 0.000 0.539 101 P HA 0.056 nan 4.420 nan 0.000 0.271 101 P C -0.668 176.720 177.300 0.146 0.000 1.220 101 P CA -0.171 63.011 63.100 0.136 0.000 0.768 101 P CB 1.000 32.740 31.700 0.066 0.000 0.848 102 L N 3.379 124.654 121.223 0.086 0.000 2.410 102 L HA 0.129 4.462 4.340 -0.013 0.000 0.273 102 L C 1.819 178.707 176.870 0.031 0.000 1.152 102 L CA 0.429 55.309 54.840 0.068 0.000 0.855 102 L CB 0.322 42.410 42.059 0.048 0.000 1.129 102 L HN 0.481 nan 8.230 nan 0.000 0.463 103 A N 2.352 125.180 122.820 0.014 0.000 2.014 103 A HA 0.070 4.383 4.320 -0.013 0.000 0.218 103 A C 1.030 178.611 177.584 -0.006 0.000 1.163 103 A CA 1.127 53.168 52.037 0.007 0.000 0.652 103 A CB -0.061 18.933 19.000 -0.008 0.000 0.808 103 A HN 0.584 nan 8.150 nan 0.000 0.449 104 S N -0.709 114.980 115.700 -0.018 0.000 2.548 104 S HA 0.419 4.881 4.470 -0.013 0.000 0.276 104 S C -0.287 174.301 174.600 -0.020 0.000 1.129 104 S CA -0.263 57.927 58.200 -0.016 0.000 0.931 104 S CB 0.987 64.173 63.200 -0.022 0.000 1.068 104 S HN 0.431 nan 8.310 nan 0.000 0.480 105 N N 4.582 123.276 118.700 -0.009 0.000 2.187 105 N HA 0.096 4.828 4.740 -0.013 0.000 0.212 105 N C 0.954 176.479 175.510 0.025 0.000 1.152 105 N CA -0.209 52.831 53.050 -0.016 0.000 0.872 105 N CB -0.223 38.240 38.487 -0.039 0.000 1.025 105 N HN 0.410 nan 8.380 nan 0.000 0.514 106 L N 1.415 122.657 121.223 0.031 0.000 1.989 106 L HA -0.083 4.249 4.340 -0.013 0.000 0.211 106 L C 2.457 179.361 176.870 0.056 0.000 1.071 106 L CA 1.695 56.569 54.840 0.056 0.000 0.749 106 L CB -1.203 40.881 42.059 0.042 0.000 0.890 106 L HN 0.342 nan 8.230 nan 0.000 0.431 107 K N -0.254 120.158 120.400 0.020 0.000 2.026 107 K HA -0.230 4.082 4.320 -0.013 0.000 0.208 107 K C 2.278 178.908 176.600 0.050 0.000 1.048 107 K CA 1.519 57.816 56.287 0.016 0.000 0.929 107 K CB -0.102 32.377 32.500 -0.035 0.000 0.713 107 K HN 0.120 nan 8.250 nan 0.000 0.439 108 K N 0.710 121.136 120.400 0.045 0.000 2.044 108 K HA -0.210 4.102 4.320 -0.013 0.000 0.210 108 K C 2.206 178.942 176.600 0.227 0.000 1.049 108 K CA 1.660 57.999 56.287 0.086 0.000 0.927 108 K CB -0.048 32.432 32.500 -0.034 0.000 0.713 108 K HN 0.168 nan 8.250 nan 0.000 0.443 109 R N -0.247 120.394 120.500 0.234 0.000 2.070 109 R HA -0.102 4.230 4.340 -0.013 0.000 0.233 109 R C 2.455 178.878 176.300 0.206 0.000 1.137 109 R CA 1.295 57.587 56.100 0.320 0.000 0.945 109 R CB -0.383 30.079 30.300 0.272 0.000 0.845 109 R HN 0.266 nan 8.270 nan 0.000 0.430 110 A N 1.635 124.541 122.820 0.143 0.000 1.865 110 A HA -0.208 4.104 4.320 -0.013 0.000 0.217 110 A C 1.534 179.171 177.584 0.089 0.000 1.191 110 A CA 1.982 54.077 52.037 0.097 0.000 0.623 110 A CB -0.545 18.496 19.000 0.069 0.000 0.826 110 A HN 0.213 nan 8.150 nan 0.000 0.444 111 D N -0.097 120.361 120.400 0.097 0.000 2.309 111 D HA 0.021 4.653 4.640 -0.013 0.000 0.212 111 D C 1.591 177.954 176.300 0.105 0.000 0.968 111 D CA 1.217 55.270 54.000 0.088 0.000 0.882 111 D CB -0.206 40.646 40.800 0.086 0.000 0.918 111 D HN 0.467 nan 8.370 nan 0.000 0.503 112 A N 0.022 122.927 122.820 0.141 0.000 2.345 112 A HA 0.038 4.350 4.320 -0.013 0.000 0.225 112 A C 0.319 177.933 177.584 0.050 0.000 1.243 112 A CA -0.049 52.058 52.037 0.117 0.000 0.875 112 A CB 0.228 19.337 19.000 0.181 0.000 0.929 112 A HN -0.041 nan 8.150 nan 0.000 0.502 113 D N -0.775 119.658 120.400 0.054 0.000 2.870 113 D HA -0.129 4.503 4.640 -0.013 0.000 0.228 113 D C -0.438 175.869 176.300 0.012 0.000 1.147 113 D CA 0.837 54.853 54.000 0.026 0.000 0.757 113 D CB -1.253 39.555 40.800 0.013 0.000 1.091 113 D HN 0.468 nan 8.370 nan 0.000 0.429 114 L N -0.040 121.208 121.223 0.042 0.000 2.344 114 L HA 0.662 4.994 4.340 -0.013 0.000 0.272 114 L C 1.117 178.041 176.870 0.091 0.000 1.035 114 L CA -0.803 54.070 54.840 0.055 0.000 0.807 114 L CB 1.391 43.500 42.059 0.083 0.000 1.237 114 L HN 0.001 nan 8.230 nan 0.000 0.442 115 A N 0.649 123.526 122.820 0.095 0.000 2.386 115 A HA 0.234 4.546 4.320 -0.013 0.000 0.248 115 A C 0.142 177.798 177.584 0.120 0.000 1.082 115 A CA -0.273 51.798 52.037 0.056 0.000 0.789 115 A CB 0.110 19.093 19.000 -0.029 0.000 1.025 115 A HN 0.850 nan 8.150 nan 0.000 0.490 116 D N -0.127 120.221 120.400 -0.087 0.000 2.427 116 D HA 0.442 5.074 4.640 -0.013 0.000 0.224 116 D C 0.314 176.131 176.300 -0.804 0.000 1.157 116 D CA 0.496 54.409 54.000 -0.146 0.000 0.828 116 D CB -0.050 40.750 40.800 -0.001 0.000 0.974 116 D HN 0.872 nan 8.370 nan 0.000 0.498 117 G N -0.637 107.355 108.800 -1.347 0.000 2.322 117 G HA2 0.378 4.331 3.960 -0.013 0.000 0.295 117 G HA3 0.378 4.331 3.960 -0.013 0.000 0.295 117 G C -3.223 170.964 174.900 -1.189 0.000 1.369 117 G CA -1.159 42.905 45.100 -1.727 0.000 0.821 117 G HN -0.135 nan 8.290 nan 0.000 0.536 118 P HA 0.191 nan 4.420 nan 0.000 0.265 118 P C 1.170 178.441 177.300 -0.048 0.000 1.193 118 P CA -0.044 62.975 63.100 -0.136 0.000 0.765 118 P CB 1.484 33.192 31.700 0.013 0.000 0.823 119 V N 2.060 122.049 119.914 0.126 0.000 2.725 119 V HA 0.019 4.131 4.120 -0.013 0.000 0.247 119 V C 0.647 176.732 176.094 -0.015 0.000 1.058 119 V CA 1.894 64.188 62.300 -0.010 0.000 1.080 119 V CB -0.298 31.480 31.823 -0.075 0.000 0.713 119 V HN 0.618 nan 8.190 nan 0.000 0.465 120 S N -0.913 114.800 115.700 0.021 0.000 2.689 120 S HA 0.506 4.969 4.470 -0.013 0.000 0.306 120 S C 0.659 175.256 174.600 -0.005 0.000 1.104 120 S CA 0.228 58.423 58.200 -0.009 0.000 0.973 120 S CB 1.712 64.900 63.200 -0.020 0.000 1.121 120 S HN 0.314 nan 8.310 nan 0.000 0.523 121 E N 1.006 121.193 120.200 -0.022 0.000 2.150 121 E HA -0.083 4.259 4.350 -0.013 0.000 0.193 121 E C 2.026 178.611 176.600 -0.025 0.000 0.985 121 E CA 1.303 57.691 56.400 -0.019 0.000 0.814 121 E CB -0.196 29.489 29.700 -0.026 0.000 0.752 121 E HN 0.681 nan 8.360 nan 0.000 0.466 122 R N 0.279 120.752 120.500 -0.045 0.000 2.070 122 R HA -0.167 4.166 4.340 -0.013 0.000 0.233 122 R C 1.334 177.587 176.300 -0.079 0.000 1.137 122 R CA 2.003 58.058 56.100 -0.074 0.000 0.945 122 R CB -0.353 29.887 30.300 -0.101 0.000 0.845 122 R HN 0.169 nan 8.270 nan 0.000 0.430 123 D N 0.245 120.611 120.400 -0.056 0.000 2.104 123 D HA -0.192 4.441 4.640 -0.013 0.000 0.194 123 D C 1.591 177.878 176.300 -0.022 0.000 0.994 123 D CA 1.514 55.458 54.000 -0.094 0.000 0.830 123 D CB -0.663 40.187 40.800 0.083 0.000 0.959 123 D HN 0.310 nan 8.370 nan 0.000 0.452 124 N N 0.045 118.794 118.700 0.082 0.000 2.149 124 N HA -0.124 4.609 4.740 -0.013 0.000 0.188 124 N C 1.726 177.293 175.510 0.095 0.000 1.019 124 N CA 0.860 53.992 53.050 0.138 0.000 0.857 124 N CB -0.202 38.324 38.487 0.065 0.000 0.997 124 N HN 0.162 nan 8.380 nan 0.000 0.426 125 L N -0.296 120.938 121.223 0.018 0.000 2.072 125 L HA -0.069 4.264 4.340 -0.013 0.000 0.205 125 L C 2.221 179.081 176.870 -0.017 0.000 1.079 125 L CA 0.656 55.497 54.840 0.002 0.000 0.752 125 L CB -0.444 41.599 42.059 -0.026 0.000 0.906 125 L HN 0.234 nan 8.230 nan 0.000 0.436 126 L N -1.145 120.022 121.223 -0.093 0.000 2.017 126 L HA -0.231 4.101 4.340 -0.013 0.000 0.208 126 L C 2.562 179.375 176.870 -0.096 0.000 1.073 126 L CA 1.552 56.297 54.840 -0.160 0.000 0.745 126 L CB -0.593 41.297 42.059 -0.283 0.000 0.894 126 L HN 0.128 nan 8.230 nan 0.000 0.432 127 F N 0.078 120.030 119.950 0.002 0.000 2.095 127 F HA -0.232 4.288 4.527 -0.012 0.000 0.298 127 F C 2.756 178.576 175.800 0.034 0.000 1.104 127 F CA 1.084 59.102 58.000 0.029 0.000 1.232 127 F CB -0.191 38.832 39.000 0.038 0.000 0.987 127 F HN -0.085 nan 8.300 nan 0.000 0.475 128 R N -0.114 120.511 120.500 0.209 0.000 2.189 128 R HA -0.070 4.262 4.340 -0.013 0.000 0.223 128 R C 2.248 178.597 176.300 0.081 0.000 1.092 128 R CA 0.881 57.050 56.100 0.116 0.000 0.989 128 R CB -0.432 29.915 30.300 0.077 0.000 0.876 128 R HN 0.265 nan 8.270 nan 0.000 0.457 129 A N 0.837 123.686 122.820 0.050 0.000 1.898 129 A HA 0.022 4.335 4.320 -0.013 0.000 0.214 129 A C 2.319 179.921 177.584 0.029 0.000 1.183 129 A CA 1.207 53.249 52.037 0.008 0.000 0.622 129 A CB -0.583 18.380 19.000 -0.061 0.000 0.824 129 A HN 0.338 nan 8.150 nan 0.000 0.444 130 A N -0.215 122.637 122.820 0.055 0.000 1.892 130 A HA -0.105 4.208 4.320 -0.013 0.000 0.218 130 A C 2.226 180.021 177.584 0.350 0.000 1.188 130 A CA 2.074 54.254 52.037 0.239 0.000 0.631 130 A CB -1.095 18.142 19.000 0.395 0.000 0.822 130 A HN 0.424 nan 8.150 nan 0.000 0.447 131 V N -0.224 119.837 119.914 0.245 0.000 2.295 131 V HA -0.289 3.823 4.120 -0.013 0.000 0.246 131 V C 2.658 178.889 176.094 0.228 0.000 1.049 131 V CA 2.337 64.755 62.300 0.197 0.000 1.024 131 V CB -0.824 30.996 31.823 -0.006 0.000 0.648 131 V HN 0.528 nan 8.190 nan 0.000 0.447 132 R N -0.488 120.107 120.500 0.157 0.000 2.073 132 R HA -0.100 4.233 4.340 -0.013 0.000 0.234 132 R C 2.328 178.764 176.300 0.226 0.000 1.134 132 R CA 1.510 57.705 56.100 0.158 0.000 0.952 132 R CB -0.421 29.940 30.300 0.102 0.000 0.850 132 R HN 0.423 nan 8.270 nan 0.000 0.433 133 L N 0.027 121.399 121.223 0.247 0.000 2.046 133 L HA -0.190 4.142 4.340 -0.013 0.000 0.208 133 L C 2.548 179.659 176.870 0.401 0.000 1.077 133 L CA 1.399 56.445 54.840 0.343 0.000 0.747 133 L CB -0.324 41.949 42.059 0.357 0.000 0.896 133 L HN 0.278 nan 8.230 nan 0.000 0.432 134 M N -1.391 118.450 119.600 0.401 0.000 2.175 134 M HA -0.134 4.338 4.480 -0.013 0.000 0.264 134 M C 1.018 177.331 176.300 0.021 0.000 1.063 134 M CA 1.692 57.123 55.300 0.218 0.000 1.119 134 M CB 0.026 32.735 32.600 0.183 0.000 1.377 134 M HN 0.078 nan 8.290 nan 0.000 0.415 135 F N -0.424 119.566 119.950 0.065 0.000 2.668 135 F HA 0.169 4.688 4.527 -0.013 0.000 0.297 135 F C 1.668 177.547 175.800 0.132 0.000 1.124 135 F CA -0.461 57.566 58.000 0.045 0.000 1.353 135 F CB -0.610 38.312 39.000 -0.129 0.000 0.992 135 F HN 0.050 nan 8.300 nan 0.000 0.524 136 S N -1.164 114.672 115.700 0.228 0.000 2.574 136 S HA 0.008 4.471 4.470 -0.013 0.000 0.160 136 S C 0.373 175.021 174.600 0.079 0.000 1.125 136 S CA -0.245 58.056 58.200 0.169 0.000 1.836 136 S CB -0.494 62.797 63.200 0.151 0.000 0.514 136 S HN 0.196 nan 8.310 nan 0.000 0.411 137 D N 2.726 123.157 120.400 0.052 0.000 2.482 137 D HA 0.244 4.876 4.640 -0.013 0.000 0.244 137 D C -0.607 175.688 176.300 -0.009 0.000 1.242 137 D CA 0.311 54.317 54.000 0.010 0.000 1.097 137 D CB -0.383 40.424 40.800 0.012 0.000 1.109 137 D HN 0.262 nan 8.370 nan 0.000 0.510 138 L N 1.148 122.355 121.223 -0.027 0.000 2.322 138 L HA 0.350 4.683 4.340 -0.013 0.000 0.279 138 L C 0.542 177.383 176.870 -0.047 0.000 1.036 138 L CA -0.837 53.976 54.840 -0.045 0.000 0.807 138 L CB 1.404 43.427 42.059 -0.060 0.000 1.226 138 L HN 0.005 nan 8.230 nan 0.000 0.433 139 E N 2.847 123.023 120.200 -0.041 0.000 2.191 139 E HA 0.390 4.733 4.350 -0.013 0.000 0.278 139 E C -2.401 174.188 176.600 -0.020 0.000 0.972 139 E CA -1.696 54.686 56.400 -0.031 0.000 0.804 139 E CB 1.413 31.096 29.700 -0.029 0.000 1.110 139 E HN 0.217 nan 8.360 nan 0.000 0.394 140 P HA 0.086 nan 4.420 nan 0.000 0.269 140 P C -1.202 176.110 177.300 0.019 0.000 1.209 140 P CA -0.252 62.857 63.100 0.015 0.000 0.776 140 P CB 0.628 32.340 31.700 0.021 0.000 0.876 141 V N -1.175 118.761 119.914 0.037 0.000 3.188 141 V HA 0.691 4.803 4.120 -0.013 0.000 0.305 141 V C -2.813 173.312 176.094 0.053 0.000 1.232 141 V CA -2.790 59.530 62.300 0.033 0.000 1.043 141 V CB 1.812 33.648 31.823 0.023 0.000 1.068 141 V HN 0.330 nan 8.190 nan 0.000 0.439 142 P HA 0.220 nan 4.420 nan 0.000 0.271 142 P C -0.431 176.918 177.300 0.083 0.000 1.218 142 P CA -0.183 62.955 63.100 0.063 0.000 0.780 142 P CB 1.201 32.933 31.700 0.053 0.000 0.901 143 L N 3.282 124.561 121.223 0.093 0.000 2.385 143 L HA 0.120 4.452 4.340 -0.013 0.000 0.285 143 L C 0.509 177.460 176.870 0.136 0.000 1.125 143 L CA -0.417 54.488 54.840 0.109 0.000 0.890 143 L CB -0.055 42.056 42.059 0.087 0.000 1.251 143 L HN 0.214 nan 8.230 nan 0.000 0.445 144 K N 6.073 126.560 120.400 0.145 0.000 2.218 144 K HA 0.451 4.763 4.320 -0.013 0.000 0.276 144 K C -0.465 176.228 176.600 0.156 0.000 1.022 144 K CA -0.227 56.156 56.287 0.160 0.000 0.946 144 K CB 1.873 34.496 32.500 0.205 0.000 1.000 144 K HN 0.580 nan 8.250 nan 0.000 0.468 145 I N 2.247 122.900 120.570 0.139 0.000 2.465 145 I HA 0.242 4.405 4.170 -0.013 0.000 0.291 145 I C 0.225 176.364 176.117 0.036 0.000 1.014 145 I CA -1.245 60.115 61.300 0.100 0.000 1.093 145 I CB 2.014 40.070 38.000 0.093 0.000 1.267 145 I HN 0.375 nan 8.210 nan 0.000 0.431 146 R N 5.543 126.044 120.500 0.000 0.000 2.537 146 R HA 0.158 4.490 4.340 -0.013 0.000 0.280 146 R C -0.578 175.689 176.300 -0.054 0.000 1.058 146 R CA 0.177 56.258 56.100 -0.032 0.000 1.057 146 R CB 0.479 30.761 30.300 -0.030 0.000 0.973 146 R HN 0.419 nan 8.270 nan 0.000 0.438 147 K N 2.633 123.003 120.400 -0.049 0.000 2.298 147 K HA 0.263 4.575 4.320 -0.013 0.000 0.280 147 K C 0.709 177.263 176.600 -0.077 0.000 1.032 147 K CA 0.650 56.907 56.287 -0.051 0.000 0.958 147 K CB 0.964 33.450 32.500 -0.024 0.000 0.978 147 K HN 0.892 nan 8.250 nan 0.000 0.472 148 G N 1.460 110.210 108.800 -0.084 0.000 2.184 148 G HA2 -0.336 3.616 3.960 -0.013 0.000 0.264 148 G HA3 -0.336 3.616 3.960 -0.013 0.000 0.264 148 G C 0.275 175.113 174.900 -0.103 0.000 0.975 148 G CA 0.610 45.656 45.100 -0.091 0.000 0.642 148 G HN 0.721 nan 8.290 nan 0.000 0.536 149 S N -0.379 115.251 115.700 -0.118 0.000 2.589 149 S HA 0.604 5.067 4.470 -0.013 0.000 0.265 149 S C 0.515 175.017 174.600 -0.163 0.000 1.342 149 S CA 0.880 59.004 58.200 -0.128 0.000 1.005 149 S CB 1.727 64.843 63.200 -0.139 0.000 0.909 149 S HN 1.488 nan 8.310 nan 0.000 0.555 150 S N 0.226 115.838 115.700 -0.147 0.000 2.608 150 S HA 0.391 4.854 4.470 -0.013 0.000 0.291 150 S C 0.961 175.400 174.600 -0.268 0.000 1.146 150 S CA -0.563 57.538 58.200 -0.166 0.000 1.043 150 S CB 1.088 64.237 63.200 -0.085 0.000 1.037 150 S HN 0.809 nan 8.310 nan 0.000 0.520 151 T N 2.845 117.237 114.554 -0.271 0.000 3.088 151 T HA 0.100 4.442 4.350 -0.013 0.000 0.259 151 T C 0.987 175.505 174.700 -0.302 0.000 1.122 151 T CA 0.603 62.559 62.100 -0.240 0.000 1.095 151 T CB -1.000 67.806 68.868 -0.104 0.000 0.930 151 T HN 0.827 nan 8.240 nan 0.000 0.508 152 C N 0.239 119.202 119.300 -0.561 0.000 0.168 152 C HA -0.262 4.191 4.460 -0.013 0.000 0.017 152 C C 1.017 175.194 174.990 -1.355 0.000 0.171 152 C CA -1.252 57.112 59.018 -1.090 0.000 0.499 152 C CB -1.496 25.970 27.740 -0.457 0.000 3.212 152 C HN 0.554 nan 8.230 nan 0.000 1.118 153 I N 3.706 123.701 120.570 -0.957 0.000 2.752 153 I HA 0.067 4.229 4.170 -0.013 0.000 0.289 153 I C -0.836 175.063 176.117 -0.363 0.000 1.197 153 I CA -0.017 60.945 61.300 -0.563 0.000 1.432 153 I CB 0.540 38.340 38.000 -0.333 0.000 1.359 153 I HN 0.590 nan 8.210 nan 0.000 0.571 154 P HA 0.018 nan 4.420 nan 0.000 0.268 154 P C 0.752 177.885 177.300 -0.279 0.000 1.248 154 P CA 0.634 63.509 63.100 -0.375 0.000 0.851 154 P CB 0.337 31.767 31.700 -0.450 0.000 1.238 155 Y N -1.262 119.017 120.300 -0.035 0.000 2.448 155 Y HA 0.255 4.793 4.550 -0.020 0.000 0.289 155 Y C 0.899 176.895 175.900 0.161 0.000 1.114 155 Y CA -0.096 58.041 58.100 0.061 0.000 1.235 155 Y CB -1.006 37.453 38.460 -0.002 0.000 1.045 155 Y HN -0.286 nan 8.280 nan 0.000 0.554 156 F N 0.045 120.027 119.950 0.054 0.000 3.093 156 F HA -0.286 4.232 4.527 -0.015 0.000 0.287 156 F C 0.903 176.700 175.800 -0.005 0.000 0.882 156 F CA 0.569 58.557 58.000 -0.020 0.000 1.063 156 F CB -1.702 37.267 39.000 -0.053 0.000 1.097 156 F HN -0.002 nan 8.300 nan 0.000 0.604 157 S N -0.076 115.674 115.700 0.084 0.000 2.617 157 S HA 0.489 4.952 4.470 -0.013 0.000 0.269 157 S C 0.937 175.513 174.600 -0.041 0.000 1.292 157 S CA -0.010 58.205 58.200 0.026 0.000 1.010 157 S CB 0.887 64.081 63.200 -0.010 0.000 0.944 157 S HN 0.346 nan 8.310 nan 0.000 0.536 158 N N 1.168 119.840 118.700 -0.047 0.000 2.160 158 N HA 0.197 4.930 4.740 -0.013 0.000 0.226 158 N C -1.447 174.011 175.510 -0.087 0.000 1.256 158 N CA -0.277 52.727 53.050 -0.077 0.000 0.890 158 N CB 0.516 38.971 38.487 -0.052 0.000 1.116 158 N HN 0.598 nan 8.380 nan 0.000 0.517 159 D N 0.621 120.972 120.400 -0.082 0.000 2.325 159 D HA 0.051 4.684 4.640 -0.013 0.000 0.251 159 D C 1.270 177.504 176.300 -0.110 0.000 1.196 159 D CA -0.262 53.688 54.000 -0.084 0.000 0.866 159 D CB 0.747 41.504 40.800 -0.072 0.000 1.101 159 D HN -0.110 nan 8.370 nan 0.000 0.476 160 M N 4.019 123.549 119.600 -0.117 0.000 2.106 160 M HA -0.026 4.446 4.480 -0.013 0.000 0.259 160 M C 1.798 177.997 176.300 -0.169 0.000 1.068 160 M CA 2.194 57.400 55.300 -0.157 0.000 1.100 160 M CB -0.823 31.668 32.600 -0.181 0.000 1.351 160 M HN 0.499 nan 8.290 nan 0.000 0.404 161 G N -1.608 107.108 108.800 -0.140 0.000 2.421 161 G HA2 -0.214 3.738 3.960 -0.013 0.000 0.216 161 G HA3 -0.214 3.738 3.960 -0.013 0.000 0.216 161 G C 1.412 176.257 174.900 -0.092 0.000 1.171 161 G CA 1.448 46.476 45.100 -0.119 0.000 0.775 161 G HN 0.518 nan 8.290 nan 0.000 0.543 162 T N 0.771 115.272 114.554 -0.089 0.000 2.833 162 T HA -0.036 4.307 4.350 -0.013 0.000 0.269 162 T C 2.287 176.954 174.700 -0.055 0.000 1.054 162 T CA 1.277 63.327 62.100 -0.083 0.000 1.135 162 T CB -0.089 68.720 68.868 -0.099 0.000 0.869 162 T HN 0.280 nan 8.240 nan 0.000 0.466 163 K N 0.755 121.108 120.400 -0.077 0.000 2.025 163 K HA 0.004 4.316 4.320 -0.013 0.000 0.207 163 K C 2.252 178.905 176.600 0.089 0.000 1.049 163 K CA 1.009 57.264 56.287 -0.053 0.000 0.933 163 K CB -0.281 32.083 32.500 -0.226 0.000 0.714 163 K HN 0.275 nan 8.250 nan 0.000 0.438 164 I N 1.419 121.996 120.570 0.012 0.000 2.264 164 I HA -0.241 3.922 4.170 -0.013 0.000 0.248 164 I C 2.201 178.343 176.117 0.041 0.000 1.111 164 I CA 1.478 62.801 61.300 0.037 0.000 1.382 164 I CB -0.929 37.052 38.000 -0.032 0.000 1.060 164 I HN 0.258 nan 8.210 nan 0.000 0.418 165 E N 1.418 121.625 120.200 0.011 0.000 2.005 165 E HA -0.191 4.152 4.350 -0.013 0.000 0.198 165 E C 2.318 178.932 176.600 0.024 0.000 1.010 165 E CA 1.411 57.810 56.400 -0.000 0.000 0.825 165 E CB -0.156 29.524 29.700 -0.033 0.000 0.769 165 E HN 0.320 nan 8.360 nan 0.000 0.456 166 I N 0.641 121.243 120.570 0.054 0.000 2.143 166 I HA -0.403 3.759 4.170 -0.013 0.000 0.245 166 I C 2.381 178.533 176.117 0.058 0.000 1.068 166 I CA 1.440 62.797 61.300 0.095 0.000 1.326 166 I CB -0.389 37.738 38.000 0.211 0.000 1.028 166 I HN 0.243 nan 8.210 nan 0.000 0.412 167 A N 0.073 122.958 122.820 0.108 0.000 1.877 167 A HA -0.253 4.059 4.320 -0.013 0.000 0.216 167 A C 2.203 179.742 177.584 -0.076 0.000 1.186 167 A CA 1.943 53.959 52.037 -0.035 0.000 0.620 167 A CB -0.677 18.383 19.000 0.099 0.000 0.822 167 A HN 0.481 nan 8.150 nan 0.000 0.443 168 E N -1.064 119.124 120.200 -0.019 0.000 2.051 168 E HA -0.236 4.107 4.350 -0.013 0.000 0.192 168 E C 2.300 178.875 176.600 -0.041 0.000 0.991 168 E CA 1.326 57.709 56.400 -0.028 0.000 0.799 168 E CB -0.150 29.550 29.700 0.002 0.000 0.748 168 E HN 0.458 nan 8.360 nan 0.000 0.449 169 R N 1.238 121.723 120.500 -0.025 0.000 2.105 169 R HA -0.113 4.220 4.340 -0.013 0.000 0.239 169 R C 1.894 178.167 176.300 -0.046 0.000 1.135 169 R CA 1.694 57.783 56.100 -0.018 0.000 0.967 169 R CB -0.653 29.651 30.300 0.006 0.000 0.861 169 R HN 0.156 nan 8.270 nan 0.000 0.442 170 A N 0.379 123.149 122.820 -0.083 0.000 1.898 170 A HA -0.023 4.290 4.320 -0.013 0.000 0.216 170 A C 2.222 179.701 177.584 -0.174 0.000 1.181 170 A CA 1.364 53.323 52.037 -0.130 0.000 0.620 170 A CB -0.523 18.359 19.000 -0.196 0.000 0.819 170 A HN 0.347 nan 8.150 nan 0.000 0.442 171 L N -0.943 120.128 121.223 -0.253 0.000 2.275 171 L HA -0.139 4.193 4.340 -0.013 0.000 0.215 171 L C 2.408 179.282 176.870 0.007 0.000 1.119 171 L CA 1.240 55.854 54.840 -0.377 0.000 0.790 171 L CB -0.472 41.297 42.059 -0.483 0.000 0.919 171 L HN 0.481 nan 8.230 nan 0.000 0.443 172 E N 0.077 120.263 120.200 -0.024 0.000 2.112 172 E HA -0.158 4.184 4.350 -0.013 0.000 0.190 172 E C 1.581 178.141 176.600 -0.065 0.000 0.979 172 E CA 0.769 57.168 56.400 -0.001 0.000 0.814 172 E CB 0.309 30.000 29.700 -0.015 0.000 0.762 172 E HN 0.077 nan 8.360 nan 0.000 0.460 173 K N -0.508 119.816 120.400 -0.126 0.000 2.358 173 K HA 0.249 4.561 4.320 -0.013 0.000 0.200 173 K C 1.074 177.467 176.600 -0.344 0.000 1.030 173 K CA 0.312 56.424 56.287 -0.291 0.000 1.097 173 K CB 0.579 32.853 32.500 -0.376 0.000 0.862 173 K HN 0.065 nan 8.250 nan 0.000 0.534 174 A N 0.908 123.653 122.820 -0.124 0.000 1.917 174 A HA -0.269 4.044 4.320 -0.013 0.000 0.219 174 A C 2.070 179.574 177.584 -0.132 0.000 1.182 174 A CA 2.054 54.114 52.037 0.038 0.000 0.633 174 A CB -0.426 18.858 19.000 0.474 0.000 0.819 174 A HN 0.507 nan 8.150 nan 0.000 0.448 175 E N -0.437 119.370 120.200 -0.656 0.000 2.085 175 E HA -0.251 4.092 4.350 -0.013 0.000 0.194 175 E C 1.990 178.224 176.600 -0.610 0.000 0.994 175 E CA 1.510 57.093 56.400 -1.361 0.000 0.801 175 E CB -0.165 28.523 29.700 -1.686 0.000 0.743 175 E HN 0.748 nan 8.360 nan 0.000 0.453 176 E N -0.472 119.476 120.200 -0.421 0.000 2.106 176 E HA -0.163 4.180 4.350 -0.013 0.000 0.192 176 E C 1.931 178.442 176.600 -0.148 0.000 0.984 176 E CA 0.671 56.921 56.400 -0.249 0.000 0.806 176 E CB -0.052 29.511 29.700 -0.227 0.000 0.750 176 E HN 0.370 nan 8.360 nan 0.000 0.458 177 A N 0.857 123.560 122.820 -0.195 0.000 1.858 177 A HA -0.128 4.184 4.320 -0.013 0.000 0.216 177 A C 2.411 180.006 177.584 0.020 0.000 1.190 177 A CA 1.826 53.839 52.037 -0.039 0.000 0.617 177 A CB -1.273 17.700 19.000 -0.046 0.000 0.827 177 A HN 0.398 nan 8.150 nan 0.000 0.443 178 G N -0.125 108.735 108.800 0.099 0.000 2.440 178 G HA2 -0.302 3.651 3.960 -0.013 0.000 0.218 178 G HA3 -0.302 3.651 3.960 -0.013 0.000 0.218 178 G C 1.425 176.401 174.900 0.128 0.000 1.154 178 G CA 1.140 46.357 45.100 0.196 0.000 0.767 178 G HN 0.522 nan 8.290 nan 0.000 0.552 179 N N 0.308 119.066 118.700 0.097 0.000 2.223 179 N HA 0.000 4.733 4.740 -0.013 0.000 0.185 179 N C 2.239 177.741 175.510 -0.013 0.000 1.016 179 N CA 0.474 53.559 53.050 0.058 0.000 0.863 179 N CB -0.240 38.259 38.487 0.019 0.000 0.983 179 N HN 0.291 nan 8.380 nan 0.000 0.429 180 L N 0.263 121.460 121.223 -0.042 0.000 2.093 180 L HA -0.068 4.265 4.340 -0.013 0.000 0.208 180 L C 2.340 179.080 176.870 -0.217 0.000 1.085 180 L CA 0.879 55.667 54.840 -0.086 0.000 0.755 180 L CB -0.157 41.874 42.059 -0.046 0.000 0.904 180 L HN 0.179 nan 8.230 nan 0.000 0.435 181 M N -0.866 118.573 119.600 -0.268 0.000 2.123 181 M HA -0.205 4.267 4.480 -0.013 0.000 0.263 181 M C 2.214 178.292 176.300 -0.370 0.000 1.069 181 M CA 1.597 56.534 55.300 -0.605 0.000 1.133 181 M CB -0.158 32.231 32.600 -0.351 0.000 1.356 181 M HN 0.198 nan 8.290 nan 0.000 0.415 182 L N -0.093 121.065 121.223 -0.109 0.000 2.263 182 L HA -0.250 4.082 4.340 -0.013 0.000 0.216 182 L C 1.838 178.686 176.870 -0.037 0.000 1.111 182 L CA 1.247 56.078 54.840 -0.015 0.000 0.773 182 L CB -0.535 41.556 42.059 0.054 0.000 0.906 182 L HN 0.433 nan 8.230 nan 0.000 0.439 183 Q N -0.567 119.182 119.800 -0.085 0.000 2.320 183 Q HA 0.166 4.499 4.340 -0.013 0.000 0.201 183 Q C 1.344 177.302 176.000 -0.070 0.000 0.910 183 Q CA 0.502 56.273 55.803 -0.053 0.000 0.946 183 Q CB 0.660 29.373 28.738 -0.042 0.000 1.062 183 Q HN 0.519 nan 8.270 nan 0.000 0.503 184 G N 1.981 110.684 108.800 -0.162 0.000 2.143 184 G HA2 -0.299 3.653 3.960 -0.013 0.000 0.249 184 G HA3 -0.299 3.653 3.960 -0.013 0.000 0.249 184 G C 0.093 174.913 174.900 -0.134 0.000 0.981 184 G CA -0.019 45.026 45.100 -0.092 0.000 0.665 184 G HN 0.260 nan 8.290 nan 0.000 0.528 185 K N 0.401 120.637 120.400 -0.273 0.000 2.765 185 K HA 0.483 4.795 4.320 -0.013 0.000 0.246 185 K C 1.029 177.517 176.600 -0.188 0.000 1.254 185 K CA -0.712 55.491 56.287 -0.140 0.000 1.219 185 K CB -0.208 32.242 32.500 -0.084 0.000 1.747 185 K HN 0.256 nan 8.250 nan 0.000 0.372 186 F N 0.711 120.686 119.950 0.041 0.000 2.134 186 F HA -0.214 4.306 4.527 -0.013 0.000 0.299 186 F C 1.793 177.630 175.800 0.062 0.000 1.097 186 F CA 1.135 59.161 58.000 0.043 0.000 1.264 186 F CB -0.064 38.944 39.000 0.013 0.000 1.001 186 F HN 0.316 nan 8.300 nan 0.000 0.479 187 D N 0.373 120.906 120.400 0.222 0.000 2.133 187 D HA -0.177 4.455 4.640 -0.013 0.000 0.195 187 D C 1.817 178.199 176.300 0.137 0.000 0.997 187 D CA 1.600 55.700 54.000 0.167 0.000 0.840 187 D CB -0.523 40.343 40.800 0.110 0.000 0.947 187 D HN 0.216 nan 8.370 nan 0.000 0.452 188 D N 0.170 120.614 120.400 0.073 0.000 2.097 188 D HA -0.085 4.548 4.640 -0.013 0.000 0.195 188 D C 2.041 178.361 176.300 0.035 0.000 0.989 188 D CA 1.372 55.388 54.000 0.027 0.000 0.827 188 D CB -0.469 40.332 40.800 0.002 0.000 0.966 188 D HN 0.148 nan 8.370 nan 0.000 0.456 189 A N 0.203 123.065 122.820 0.069 0.000 1.892 189 A HA -0.261 4.051 4.320 -0.013 0.000 0.218 189 A C 2.247 179.921 177.584 0.151 0.000 1.188 189 A CA 1.658 53.770 52.037 0.125 0.000 0.631 189 A CB -1.123 17.931 19.000 0.090 0.000 0.822 189 A HN 0.366 nan 8.150 nan 0.000 0.447 190 Y N 0.210 120.526 120.300 0.026 0.000 2.133 190 Y HA -0.188 4.358 4.550 -0.006 0.000 0.287 190 Y C 2.546 178.409 175.900 -0.061 0.000 1.134 190 Y CA 2.206 60.297 58.100 -0.015 0.000 1.133 190 Y CB -0.653 37.794 38.460 -0.022 0.000 0.987 190 Y HN 0.433 nan 8.280 nan 0.000 0.502 191 Q N -0.531 119.194 119.800 -0.125 0.000 2.096 191 Q HA -0.210 4.123 4.340 -0.013 0.000 0.204 191 Q C 2.116 177.939 176.000 -0.296 0.000 0.982 191 Q CA 2.033 57.691 55.803 -0.243 0.000 0.850 191 Q CB -0.261 28.431 28.738 -0.077 0.000 0.901 191 Q HN 0.427 nan 8.270 nan 0.000 0.422 192 L N -1.018 120.020 121.223 -0.307 0.000 2.209 192 L HA -0.092 4.240 4.340 -0.013 0.000 0.207 192 L C 1.244 177.664 176.870 -0.749 0.000 1.094 192 L CA 1.378 55.887 54.840 -0.551 0.000 0.790 192 L CB 0.173 41.780 42.059 -0.753 0.000 0.932 192 L HN 0.306 nan 8.230 nan 0.000 0.447 193 H N -2.216 116.789 119.070 -0.107 0.000 3.367 193 H HA 0.243 4.797 4.556 -0.003 0.000 0.257 193 H C 0.044 175.307 175.328 -0.109 0.000 1.201 193 H CA -0.055 55.943 56.048 -0.083 0.000 1.102 193 H CB 0.511 30.244 29.762 -0.048 0.000 1.656 193 H HN 0.071 nan 8.280 nan 0.000 0.662 194 Q N 0.326 120.021 119.800 -0.174 0.000 2.461 194 Q HA -0.181 4.151 4.340 -0.013 0.000 0.273 194 Q C -0.305 175.715 176.000 0.033 0.000 1.163 194 Q CA 0.776 56.413 55.803 -0.276 0.000 0.929 194 Q CB -1.936 26.645 28.738 -0.262 0.000 1.334 194 Q HN 0.491 nan 8.270 nan 0.000 0.499 195 M N 0.042 119.717 119.600 0.125 0.000 2.080 195 M HA 0.560 5.032 4.480 -0.013 0.000 0.350 195 M C 0.844 177.261 176.300 0.196 0.000 1.143 195 M CA 0.313 55.683 55.300 0.116 0.000 1.064 195 M CB 1.092 33.744 32.600 0.087 0.000 1.429 195 M HN 0.426 nan 8.290 nan 0.000 0.418 196 G N 0.925 109.812 108.800 0.145 0.000 2.288 196 G HA2 0.387 4.339 3.960 -0.013 0.000 0.227 196 G HA3 0.387 4.339 3.960 -0.013 0.000 0.227 196 G C -0.122 174.658 174.900 -0.200 0.000 1.339 196 G CA 0.012 45.133 45.100 0.035 0.000 1.057 196 G HN 1.002 nan 8.290 nan 0.000 0.470 197 G N -0.427 108.048 108.800 -0.542 0.000 3.127 197 G HA2 0.437 4.389 3.960 -0.013 0.000 0.280 197 G HA3 0.437 4.389 3.960 -0.013 0.000 0.280 197 G C 0.786 175.442 174.900 -0.407 0.000 1.491 197 G CA 2.295 46.933 45.100 -0.771 0.000 1.029 197 G HN 3.004 nan 8.290 nan 0.000 0.582 198 A N -2.313 120.317 122.820 -0.316 0.000 2.522 198 A HA 0.663 4.976 4.320 -0.013 0.000 0.291 198 A C -1.275 176.198 177.584 -0.186 0.000 1.039 198 A CA -0.137 51.798 52.037 -0.171 0.000 0.643 198 A CB 0.079 19.059 19.000 -0.034 0.000 1.310 198 A HN 1.559 nan 8.150 nan 0.000 0.436 199 Y N -0.446 119.866 120.300 0.020 0.000 2.335 199 Y HA 0.515 5.059 4.550 -0.010 0.000 0.323 199 Y C -0.135 175.869 175.900 0.173 0.000 1.224 199 Y CA 0.577 58.709 58.100 0.053 0.000 1.241 199 Y CB 1.191 39.656 38.460 0.009 0.000 1.235 199 Y HN 0.658 nan 8.280 nan 0.000 0.492 200 Y N 2.048 122.473 120.300 0.207 0.000 2.335 200 Y HA 0.532 5.075 4.550 -0.012 0.000 0.339 200 Y C -0.885 175.111 175.900 0.159 0.000 0.987 200 Y CA -1.084 57.168 58.100 0.254 0.000 1.140 200 Y CB 0.646 39.285 38.460 0.299 0.000 1.173 200 Y HN 0.320 nan 8.280 nan 0.000 0.486 201 V N 7.505 127.255 119.914 -0.273 0.000 2.461 201 V HA 0.347 4.459 4.120 -0.013 0.000 0.275 201 V C -0.477 175.244 176.094 -0.622 0.000 1.047 201 V CA -0.496 61.552 62.300 -0.420 0.000 0.955 201 V CB 0.930 32.468 31.823 -0.475 0.000 0.988 201 V HN 0.591 nan 8.190 nan 0.000 0.471 202 V N 5.549 125.178 119.914 -0.475 0.000 2.588 202 V HA 0.429 4.541 4.120 -0.013 0.000 0.304 202 V C -1.040 174.800 176.094 -0.425 0.000 1.042 202 V CA -0.869 61.223 62.300 -0.346 0.000 0.877 202 V CB 1.923 33.722 31.823 -0.040 0.000 0.996 202 V HN 0.713 nan 8.190 nan 0.000 0.425 203 Y N 4.249 124.502 120.300 -0.077 0.000 2.336 203 Y HA 0.545 5.088 4.550 -0.012 0.000 0.335 203 Y C 0.869 176.729 175.900 -0.068 0.000 1.046 203 Y CA -0.273 57.781 58.100 -0.077 0.000 1.198 203 Y CB 0.726 39.136 38.460 -0.085 0.000 1.182 203 Y HN 0.434 nan 8.280 nan 0.000 0.502 204 R N 1.692 122.227 120.500 0.058 0.000 2.758 204 R HA 0.839 5.172 4.340 -0.013 0.000 0.265 204 R C -0.694 175.568 176.300 -0.064 0.000 1.016 204 R CA -1.209 54.872 56.100 -0.033 0.000 1.040 204 R CB 1.620 31.893 30.300 -0.046 0.000 1.152 204 R HN 0.715 nan 8.270 nan 0.000 0.503 205 A N 1.322 124.048 122.820 -0.157 0.000 2.306 205 A HA 0.257 4.570 4.320 -0.013 0.000 0.314 205 A C -0.482 177.010 177.584 -0.152 0.000 1.164 205 A CA -0.526 51.423 52.037 -0.147 0.000 0.822 205 A CB 1.053 19.947 19.000 -0.176 0.000 1.130 205 A HN 0.487 nan 8.150 nan 0.000 0.496 206 Q N 1.627 121.349 119.800 -0.130 0.000 2.466 206 Q HA 0.174 4.506 4.340 -0.013 0.000 0.242 206 Q C 0.943 176.848 176.000 -0.158 0.000 1.046 206 Q CA 0.106 55.830 55.803 -0.131 0.000 0.841 206 Q CB 1.387 30.056 28.738 -0.116 0.000 1.193 206 Q HN 0.997 nan 8.270 nan 0.000 0.508 207 S N 0.742 116.363 115.700 -0.131 0.000 2.469 207 S HA -0.067 4.395 4.470 -0.013 0.000 0.238 207 S C 0.946 175.452 174.600 -0.156 0.000 0.998 207 S CA 0.822 58.956 58.200 -0.110 0.000 0.957 207 S CB -0.124 63.060 63.200 -0.027 0.000 0.764 207 S HN 0.571 nan 8.310 nan 0.000 0.514 208 T N -1.304 113.166 114.554 -0.140 0.000 2.893 208 T HA 0.710 5.053 4.350 -0.013 0.000 0.293 208 T C -1.566 173.070 174.700 -0.107 0.000 1.027 208 T CA -0.778 61.272 62.100 -0.083 0.000 0.988 208 T CB 2.306 71.218 68.868 0.074 0.000 1.043 208 T HN 0.069 nan 8.240 nan 0.000 0.461 209 D N 0.288 120.683 120.400 -0.008 0.000 2.599 209 D HA 0.568 5.200 4.640 -0.013 0.000 0.252 209 D C -0.537 175.849 176.300 0.144 0.000 1.232 209 D CA -0.449 53.565 54.000 0.024 0.000 0.819 209 D CB 2.125 42.892 40.800 -0.056 0.000 1.401 209 D HN 0.953 nan 8.370 nan 0.000 0.429 210 A N 1.631 124.490 122.820 0.065 0.000 2.546 210 A HA 0.459 4.771 4.320 -0.013 0.000 0.243 210 A C -0.015 177.601 177.584 0.052 0.000 1.063 210 A CA 0.481 52.554 52.037 0.061 0.000 0.757 210 A CB -0.238 18.777 19.000 0.024 0.000 0.991 210 A HN 0.456 nan 8.150 nan 0.000 0.503 211 I N 1.280 121.913 120.570 0.106 0.000 2.686 211 I HA 0.370 4.533 4.170 -0.013 0.000 0.295 211 I C 0.036 176.321 176.117 0.281 0.000 1.114 211 I CA -0.294 61.069 61.300 0.105 0.000 1.038 211 I CB 2.762 40.812 38.000 0.084 0.000 1.238 211 I HN 0.590 nan 8.210 nan 0.000 0.420 212 T N 5.767 120.464 114.554 0.238 0.000 2.887 212 T HA 0.515 4.857 4.350 -0.013 0.000 0.288 212 T C -0.858 173.974 174.700 0.219 0.000 1.021 212 T CA -0.492 61.770 62.100 0.271 0.000 1.000 212 T CB 1.600 70.544 68.868 0.126 0.000 1.034 212 T HN 0.310 nan 8.240 nan 0.000 0.467 213 L N 3.615 124.932 121.223 0.156 0.000 2.301 213 L HA 0.356 4.688 4.340 -0.013 0.000 0.278 213 L C -0.127 176.676 176.870 -0.112 0.000 1.022 213 L CA -0.572 54.140 54.840 -0.213 0.000 0.854 213 L CB 0.730 42.612 42.059 -0.295 0.000 1.226 213 L HN 0.681 nan 8.230 nan 0.000 0.429 214 D N 7.263 127.587 120.400 -0.125 0.000 2.358 214 D HA 0.066 4.698 4.640 -0.013 0.000 0.258 214 D C -1.519 174.725 176.300 -0.092 0.000 1.223 214 D CA -1.319 52.639 54.000 -0.070 0.000 0.886 214 D CB 1.769 42.541 40.800 -0.047 0.000 1.120 214 D HN 0.354 nan 8.370 nan 0.000 0.482 215 P HA -0.209 nan 4.420 nan 0.000 0.216 215 P C 1.057 178.327 177.300 -0.051 0.000 1.150 215 P CA 1.006 64.075 63.100 -0.052 0.000 0.843 215 P CB 0.417 32.102 31.700 -0.024 0.000 0.787 216 K N 0.122 120.498 120.400 -0.040 0.000 1.978 216 K HA -0.099 4.214 4.320 -0.013 0.000 0.214 216 K C 2.239 178.815 176.600 -0.040 0.000 1.049 216 K CA 2.367 58.635 56.287 -0.032 0.000 0.939 216 K CB -1.830 30.657 32.500 -0.022 0.000 0.721 216 K HN 0.350 nan 8.250 nan 0.000 0.441 217 T N -2.561 111.964 114.554 -0.047 0.000 3.067 217 T HA 0.164 4.506 4.350 -0.013 0.000 0.261 217 T C 1.464 176.117 174.700 -0.077 0.000 1.110 217 T CA 0.801 62.871 62.100 -0.049 0.000 1.113 217 T CB -0.037 68.809 68.868 -0.037 0.000 0.917 217 T HN 0.426 nan 8.240 nan 0.000 0.499 218 G N 1.570 110.300 108.800 -0.117 0.000 2.166 218 G HA2 -0.258 3.694 3.960 -0.013 0.000 0.260 218 G HA3 -0.258 3.694 3.960 -0.013 0.000 0.260 218 G C 0.003 174.754 174.900 -0.249 0.000 0.986 218 G CA 0.388 45.383 45.100 -0.174 0.000 0.683 218 G HN 0.626 nan 8.290 nan 0.000 0.527 219 K N -0.797 119.481 120.400 -0.204 0.000 2.166 219 K HA 0.657 4.969 4.320 -0.013 0.000 0.245 219 K C -0.337 176.135 176.600 -0.214 0.000 0.967 219 K CA -0.758 55.435 56.287 -0.156 0.000 0.863 219 K CB 1.076 33.562 32.500 -0.023 0.000 1.107 219 K HN 0.032 nan 8.250 nan 0.000 0.436 220 F N 0.512 120.448 119.950 -0.023 0.000 2.377 220 F HA 0.334 4.854 4.527 -0.012 0.000 0.328 220 F C 0.344 176.237 175.800 0.154 0.000 1.094 220 F CA -0.614 57.395 58.000 0.014 0.000 1.093 220 F CB 1.463 40.464 39.000 0.002 0.000 1.214 220 F HN 0.045 nan 8.300 nan 0.000 0.518 221 V N 2.243 122.325 119.914 0.279 0.000 2.623 221 V HA 0.604 4.716 4.120 -0.013 0.000 0.304 221 V C -0.693 175.310 176.094 -0.152 0.000 1.054 221 V CA -0.527 61.826 62.300 0.088 0.000 0.882 221 V CB 1.619 33.469 31.823 0.045 0.000 1.002 221 V HN 0.824 nan 8.190 nan 0.000 0.424 222 S N 4.987 120.370 115.700 -0.527 0.000 2.562 222 S HA 0.458 4.920 4.470 -0.013 0.000 0.275 222 S C -0.110 174.329 174.600 -0.268 0.000 1.281 222 S CA -0.554 57.261 58.200 -0.643 0.000 1.045 222 S CB 1.091 63.570 63.200 -1.202 0.000 0.962 222 S HN 1.077 nan 8.310 nan 0.000 0.503 223 K N 1.851 122.152 120.400 -0.164 0.000 2.453 223 K HA -0.008 4.305 4.320 -0.013 0.000 0.280 223 K C -0.713 175.836 176.600 -0.086 0.000 1.045 223 K CA -0.020 56.215 56.287 -0.086 0.000 1.059 223 K CB -0.037 32.434 32.500 -0.048 0.000 0.901 223 K HN 0.574 nan 8.250 nan 0.000 0.475 224 D N 3.373 123.735 120.400 -0.064 0.000 2.424 224 D HA 0.077 4.709 4.640 -0.013 0.000 0.244 224 D C -0.343 175.923 176.300 -0.056 0.000 1.134 224 D CA 0.286 54.254 54.000 -0.055 0.000 0.881 224 D CB 0.811 41.591 40.800 -0.033 0.000 1.191 224 D HN 0.318 nan 8.370 nan 0.000 0.445 225 R N 1.841 122.299 120.500 -0.070 0.000 2.360 225 R HA 0.324 4.656 4.340 -0.013 0.000 0.318 225 R C -0.236 175.987 176.300 -0.129 0.000 0.950 225 R CA -0.581 55.469 56.100 -0.083 0.000 0.837 225 R CB 0.928 31.180 30.300 -0.080 0.000 1.165 225 R HN 0.297 nan 8.270 nan 0.000 0.458 226 M N 3.742 123.266 119.600 -0.127 0.000 2.200 226 M HA 0.275 4.747 4.480 -0.013 0.000 0.355 226 M C -0.047 176.101 176.300 -0.254 0.000 1.283 226 M CA -0.382 54.807 55.300 -0.186 0.000 1.124 226 M CB 0.832 33.354 32.600 -0.129 0.000 1.625 226 M HN 0.416 nan 8.290 nan 0.000 0.463 227 V N 0.390 120.055 119.914 -0.414 0.000 3.074 227 V HA 1.033 5.145 4.120 -0.013 0.000 0.314 227 V C -0.506 175.324 176.094 -0.440 0.000 1.117 227 V CA -1.239 60.821 62.300 -0.400 0.000 1.014 227 V CB 1.627 33.189 31.823 -0.435 0.000 1.057 227 V HN 0.907 nan 8.190 nan 0.000 0.438 228 A N 1.746 124.422 122.820 -0.241 0.000 2.324 228 A HA 0.827 5.140 4.320 -0.013 0.000 0.330 228 A C -0.439 177.236 177.584 0.151 0.000 1.165 228 A CA -0.374 51.562 52.037 -0.168 0.000 0.813 228 A CB 0.836 19.721 19.000 -0.191 0.000 1.197 228 A HN 1.179 nan 8.150 nan 0.000 0.484 229 D N 0.386 120.923 120.400 0.228 0.000 2.423 229 D HA 0.205 4.838 4.640 -0.013 0.000 0.255 229 D C 0.748 176.949 176.300 -0.165 0.000 1.174 229 D CA -0.716 53.401 54.000 0.196 0.000 1.008 229 D CB 0.118 41.059 40.800 0.235 0.000 1.101 229 D HN 0.357 nan 8.370 nan 0.000 0.516 230 F N 0.261 119.716 119.950 -0.826 0.000 2.120 230 F HA -0.233 4.287 4.527 -0.013 0.000 0.300 230 F C 1.999 177.532 175.800 -0.445 0.000 1.095 230 F CA 1.706 59.023 58.000 -1.138 0.000 1.249 230 F CB 0.072 38.241 39.000 -1.385 0.000 0.995 230 F HN 0.221 nan 8.300 nan 0.000 0.480 231 E N -0.227 119.776 120.200 -0.329 0.000 2.038 231 E HA -0.288 4.054 4.350 -0.013 0.000 0.195 231 E C 2.100 178.555 176.600 -0.241 0.000 1.000 231 E CA 1.791 58.019 56.400 -0.288 0.000 0.803 231 E CB -1.122 28.537 29.700 -0.069 0.000 0.750 231 E HN 0.653 nan 8.360 nan 0.000 0.448 232 Y N 1.050 121.226 120.300 -0.206 0.000 2.128 232 Y HA -0.293 4.249 4.550 -0.013 0.000 0.284 232 Y C 2.314 178.110 175.900 -0.174 0.000 1.154 232 Y CA 2.063 60.084 58.100 -0.132 0.000 1.149 232 Y CB -0.248 38.190 38.460 -0.036 0.000 0.976 232 Y HN 0.066 nan 8.280 nan 0.000 0.505 233 A N -0.434 122.414 122.820 0.046 0.000 1.908 233 A HA -0.210 4.102 4.320 -0.013 0.000 0.218 233 A C 2.180 179.658 177.584 -0.175 0.000 1.181 233 A CA 2.404 54.441 52.037 0.000 0.000 0.627 233 A CB -1.508 17.541 19.000 0.081 0.000 0.818 233 A HN 0.510 nan 8.150 nan 0.000 0.445 234 V N -2.336 117.316 119.914 -0.436 0.000 2.871 234 V HA -0.045 4.068 4.120 -0.013 0.000 0.256 234 V C 1.939 177.878 176.094 -0.260 0.000 1.082 234 V CA 1.922 63.989 62.300 -0.388 0.000 1.105 234 V CB -1.477 29.978 31.823 -0.613 0.000 0.713 234 V HN 0.661 nan 8.190 nan 0.000 0.473 235 T N -2.880 111.513 114.554 -0.268 0.000 3.163 235 T HA 0.435 4.778 4.350 -0.013 0.000 0.252 235 T C 1.552 176.115 174.700 -0.229 0.000 1.056 235 T CA 0.517 62.483 62.100 -0.224 0.000 0.947 235 T CB -0.018 68.713 68.868 -0.228 0.000 1.016 235 T HN 1.440 nan 8.240 nan 0.000 0.554 236 G N 0.815 109.488 108.800 -0.212 0.000 2.203 236 G HA2 0.049 4.002 3.960 -0.013 0.000 0.263 236 G HA3 0.049 4.002 3.960 -0.013 0.000 0.263 236 G C 1.098 175.791 174.900 -0.345 0.000 1.012 236 G CA 0.424 45.411 45.100 -0.188 0.000 0.749 236 G HN 1.820 nan 8.290 nan 0.000 0.512 237 G N -1.596 106.778 108.800 -0.709 0.000 2.195 237 G HA2 -0.279 3.674 3.960 -0.013 0.000 0.246 237 G HA3 -0.279 3.674 3.960 -0.013 0.000 0.246 237 G C 1.001 175.479 174.900 -0.704 0.000 0.984 237 G CA 1.156 45.431 45.100 -1.374 0.000 0.633 237 G HN 0.643 nan 8.290 nan 0.000 0.525 238 E N 0.180 120.143 120.200 -0.395 0.000 2.007 238 E HA -0.064 4.279 4.350 -0.013 0.000 0.194 238 E C 1.659 178.144 176.600 -0.192 0.000 0.999 238 E CA 1.353 57.617 56.400 -0.227 0.000 0.811 238 E CB -0.021 29.583 29.700 -0.159 0.000 0.762 238 E HN 0.616 nan 8.360 nan 0.000 0.450 239 Q N -1.168 118.518 119.800 -0.190 0.000 2.298 239 Q HA 0.481 4.814 4.340 -0.013 0.000 0.181 239 Q C 0.092 176.038 176.000 -0.090 0.000 1.004 239 Q CA 0.414 56.148 55.803 -0.115 0.000 1.050 239 Q CB 0.850 29.529 28.738 -0.098 0.000 1.254 239 Q HN 0.323 nan 8.270 nan 0.000 0.531 240 G N -0.075 108.718 108.800 -0.013 0.000 2.877 240 G HA2 -0.094 3.859 3.960 -0.013 0.000 0.279 240 G HA3 -0.094 3.859 3.960 -0.013 0.000 0.279 240 G C -0.572 174.452 174.900 0.206 0.000 1.431 240 G CA -0.117 45.030 45.100 0.079 0.000 0.883 240 G HN 1.048 nan 8.290 nan 0.000 0.547 241 S N -1.619 114.225 115.700 0.239 0.000 2.671 241 S HA 0.785 5.248 4.470 -0.013 0.000 0.299 241 S C -0.731 174.004 174.600 0.224 0.000 1.116 241 S CA -0.382 57.967 58.200 0.250 0.000 0.912 241 S CB 2.332 65.591 63.200 0.098 0.000 1.130 241 S HN 1.963 nan 8.310 nan 0.000 0.501 242 L N 2.347 123.649 121.223 0.132 0.000 2.462 242 L HA 0.606 4.938 4.340 -0.013 0.000 0.255 242 L C -1.268 175.672 176.870 0.115 0.000 1.076 242 L CA -0.632 54.157 54.840 -0.085 0.000 0.920 242 L CB 0.175 41.969 42.059 -0.442 0.000 1.214 242 L HN 0.741 nan 8.230 nan 0.000 0.472 243 F N 2.271 122.163 119.950 -0.097 0.000 2.461 243 F HA 0.954 5.473 4.527 -0.013 0.000 0.337 243 F C 0.334 176.106 175.800 -0.048 0.000 1.079 243 F CA -1.451 56.518 58.000 -0.052 0.000 1.032 243 F CB 0.088 39.072 39.000 -0.027 0.000 1.327 243 F HN 0.391 nan 8.300 nan 0.000 0.491 244 A N 0.858 123.683 122.820 0.009 0.000 2.366 244 A HA 0.694 5.007 4.320 -0.013 0.000 0.272 244 A C 0.176 177.689 177.584 -0.118 0.000 1.135 244 A CA -0.172 51.812 52.037 -0.089 0.000 0.804 244 A CB -0.513 18.490 19.000 0.004 0.000 1.064 244 A HN 1.302 nan 8.150 nan 0.000 0.499 245 A N 1.920 124.623 122.820 -0.194 0.000 2.327 245 A HA 0.534 4.847 4.320 -0.013 0.000 0.255 245 A C 0.766 178.349 177.584 -0.002 0.000 1.099 245 A CA 0.253 52.211 52.037 -0.131 0.000 0.801 245 A CB 0.139 19.051 19.000 -0.146 0.000 1.062 245 A HN 1.247 nan 8.150 nan 0.000 0.496 246 S N -0.727 115.000 115.700 0.045 0.000 2.438 246 S HA 0.322 4.784 4.470 -0.013 0.000 0.293 246 S C 0.571 175.227 174.600 0.093 0.000 1.141 246 S CA -0.562 57.683 58.200 0.075 0.000 1.080 246 S CB 0.267 63.520 63.200 0.089 0.000 0.978 246 S HN 0.586 nan 8.310 nan 0.000 0.479 247 K N 2.427 122.895 120.400 0.113 0.000 2.374 247 K HA 0.093 4.405 4.320 -0.013 0.000 0.196 247 K C -0.024 176.753 176.600 0.295 0.000 1.023 247 K CA -0.182 56.214 56.287 0.182 0.000 1.103 247 K CB 0.201 32.774 32.500 0.122 0.000 0.848 247 K HN 0.578 nan 8.250 nan 0.000 0.528 248 D N 0.948 121.488 120.400 0.233 0.000 2.472 248 D HA -0.040 4.593 4.640 -0.013 0.000 0.248 248 D C 0.532 176.920 176.300 0.146 0.000 1.174 248 D CA 0.083 54.211 54.000 0.212 0.000 0.883 248 D CB 1.227 42.110 40.800 0.138 0.000 1.149 248 D HN 0.211 nan 8.370 nan 0.000 0.488 249 A N 3.204 126.085 122.820 0.102 0.000 2.178 249 A HA -0.013 4.299 4.320 -0.013 0.000 0.211 249 A C 2.218 179.789 177.584 -0.022 0.000 1.157 249 A CA 0.302 52.361 52.037 0.036 0.000 0.780 249 A CB 0.034 19.040 19.000 0.011 0.000 0.828 249 A HN 0.563 nan 8.150 nan 0.000 0.476 250 S N 1.091 116.782 115.700 -0.016 0.000 2.381 250 S HA -0.330 4.132 4.470 -0.013 0.000 0.230 250 S C 2.107 176.685 174.600 -0.037 0.000 1.052 250 S CA 1.988 60.169 58.200 -0.031 0.000 1.068 250 S CB -0.521 62.671 63.200 -0.014 0.000 0.918 250 S HN 0.877 nan 8.310 nan 0.000 0.448 251 R N 1.625 122.113 120.500 -0.020 0.000 2.154 251 R HA -0.138 4.195 4.340 -0.013 0.000 0.248 251 R C 1.980 178.241 176.300 -0.064 0.000 1.155 251 R CA 1.677 57.756 56.100 -0.035 0.000 0.979 251 R CB -1.081 29.216 30.300 -0.005 0.000 0.869 251 R HN 0.363 nan 8.270 nan 0.000 0.452 252 L N 0.661 121.847 121.223 -0.061 0.000 2.127 252 L HA -0.166 4.167 4.340 -0.013 0.000 0.211 252 L C 2.663 179.503 176.870 -0.051 0.000 1.089 252 L CA 1.459 56.260 54.840 -0.065 0.000 0.757 252 L CB -0.574 41.330 42.059 -0.258 0.000 0.899 252 L HN 0.209 nan 8.230 nan 0.000 0.434 253 K N 0.682 121.041 120.400 -0.068 0.000 2.001 253 K HA -0.173 4.139 4.320 -0.013 0.000 0.208 253 K C 2.002 178.565 176.600 -0.063 0.000 1.048 253 K CA 1.626 57.879 56.287 -0.056 0.000 0.932 253 K CB -0.191 32.277 32.500 -0.055 0.000 0.715 253 K HN 0.299 nan 8.250 nan 0.000 0.437 254 E N 0.975 121.126 120.200 -0.082 0.000 2.028 254 E HA -0.194 4.149 4.350 -0.013 0.000 0.191 254 E C 2.166 178.669 176.600 -0.161 0.000 0.988 254 E CA 1.345 57.688 56.400 -0.096 0.000 0.799 254 E CB -0.696 28.952 29.700 -0.086 0.000 0.755 254 E HN 0.497 nan 8.360 nan 0.000 0.447 255 Q N -0.260 119.377 119.800 -0.272 0.000 2.061 255 Q HA -0.155 4.177 4.340 -0.013 0.000 0.204 255 Q C 1.383 176.990 176.000 -0.655 0.000 0.984 255 Q CA 1.884 57.346 55.803 -0.567 0.000 0.846 255 Q CB -0.212 27.968 28.738 -0.930 0.000 0.902 255 Q HN 0.421 nan 8.270 nan 0.000 0.421 256 Y N -1.917 118.378 120.300 -0.008 0.000 2.527 256 Y HA 0.362 4.905 4.550 -0.013 0.000 0.247 256 Y C 0.876 176.769 175.900 -0.011 0.000 1.138 256 Y CA -0.064 58.042 58.100 0.009 0.000 1.228 256 Y CB 0.890 39.371 38.460 0.034 0.000 1.252 256 Y HN 0.119 nan 8.280 nan 0.000 0.531 257 G N 2.011 110.844 108.800 0.056 0.000 2.359 257 G HA2 -0.280 3.672 3.960 -0.013 0.000 0.298 257 G HA3 -0.280 3.672 3.960 -0.013 0.000 0.298 257 G C -0.414 174.506 174.900 0.032 0.000 1.030 257 G CA 0.111 45.226 45.100 0.026 0.000 1.149 257 G HN 0.365 nan 8.290 nan 0.000 0.512 258 I N -0.123 120.454 120.570 0.011 0.000 2.465 258 I HA 0.237 4.399 4.170 -0.013 0.000 0.291 258 I C -0.269 175.812 176.117 -0.061 0.000 1.014 258 I CA -0.886 60.403 61.300 -0.019 0.000 1.093 258 I CB 1.820 39.793 38.000 -0.046 0.000 1.267 258 I HN 0.043 nan 8.210 nan 0.000 0.431 259 D N 5.082 125.441 120.400 -0.068 0.000 2.344 259 D HA 0.151 4.784 4.640 -0.013 0.000 0.253 259 D C -0.347 175.872 176.300 -0.134 0.000 1.255 259 D CA 0.257 54.203 54.000 -0.091 0.000 0.894 259 D CB 0.953 41.700 40.800 -0.089 0.000 1.067 259 D HN 0.229 nan 8.370 nan 0.000 0.492 260 V N 5.071 124.905 119.914 -0.133 0.000 2.348 260 V HA 0.519 4.632 4.120 -0.013 0.000 0.270 260 V C -2.158 173.835 176.094 -0.168 0.000 1.037 260 V CA -1.552 60.647 62.300 -0.168 0.000 0.872 260 V CB 0.873 32.617 31.823 -0.132 0.000 1.002 260 V HN 0.412 nan 8.190 nan 0.000 0.464 261 P HA 0.201 nan 4.420 nan 0.000 0.273 261 P C -0.618 176.663 177.300 -0.031 0.000 1.250 261 P CA -0.146 62.850 63.100 -0.175 0.000 0.793 261 P CB 0.632 32.143 31.700 -0.316 0.000 1.011 262 D N -0.915 119.496 120.400 0.018 0.000 2.424 262 D HA 0.341 4.974 4.640 -0.013 0.000 0.244 262 D C 1.128 177.448 176.300 0.034 0.000 1.134 262 D CA 1.321 55.338 54.000 0.029 0.000 0.881 262 D CB -0.323 40.509 40.800 0.053 0.000 1.191 262 D HN 0.702 nan 8.370 nan 0.000 0.445 263 G N 2.323 111.021 108.800 -0.171 0.000 2.171 263 G HA2 -0.222 3.731 3.960 -0.013 0.000 0.238 263 G HA3 -0.222 3.731 3.960 -0.013 0.000 0.238 263 G C -0.297 173.976 174.900 -1.046 0.000 1.039 263 G CA -0.293 44.478 45.100 -0.548 0.000 0.759 263 G HN 0.354 nan 8.290 nan 0.000 0.501 264 F N -0.757 118.601 119.950 -0.986 0.000 2.551 264 F HA 0.840 5.359 4.527 -0.013 0.000 0.316 264 F C 0.165 175.414 175.800 -0.918 0.000 1.089 264 F CA -1.155 56.387 58.000 -0.764 0.000 0.915 264 F CB 1.618 40.394 39.000 -0.374 0.000 1.186 264 F HN 0.007 nan 8.300 nan 0.000 0.456 265 F N 0.106 120.047 119.950 -0.015 0.000 2.640 265 F HA 0.572 5.091 4.527 -0.013 0.000 0.324 265 F C -0.222 175.724 175.800 0.243 0.000 1.077 265 F CA -1.310 56.737 58.000 0.079 0.000 0.965 265 F CB 0.683 39.700 39.000 0.028 0.000 1.351 265 F HN 0.262 nan 8.300 nan 0.000 0.487 266 C N 1.541 121.115 119.300 0.456 0.000 2.657 266 C HA 0.306 4.758 4.460 -0.013 0.000 0.404 266 C C 0.295 175.511 174.990 0.376 0.000 1.291 266 C CA -0.711 58.534 59.018 0.379 0.000 2.218 266 C CB -0.504 27.411 27.740 0.291 0.000 2.687 266 C HN 0.787 nan 8.230 nan 0.000 0.634 267 E N 2.140 122.488 120.200 0.248 0.000 2.319 267 E HA 0.322 4.665 4.350 -0.013 0.000 0.268 267 E C -0.156 176.445 176.600 0.001 0.000 1.050 267 E CA -0.717 55.711 56.400 0.047 0.000 0.878 267 E CB 0.842 30.523 29.700 -0.031 0.000 1.066 267 E HN 0.614 nan 8.360 nan 0.000 0.406 268 R N 1.689 122.135 120.500 -0.089 0.000 2.491 268 R HA 0.107 4.440 4.340 -0.013 0.000 0.283 268 R C -0.460 175.804 176.300 -0.060 0.000 1.072 268 R CA -0.092 55.966 56.100 -0.069 0.000 1.048 268 R CB 0.608 30.852 30.300 -0.094 0.000 0.983 268 R HN 0.537 nan 8.270 nan 0.000 0.450 269 R N 3.933 124.406 120.500 -0.045 0.000 2.599 269 R HA 0.372 4.705 4.340 -0.013 0.000 0.295 269 R C -0.545 175.762 176.300 0.012 0.000 0.963 269 R CA -0.952 55.136 56.100 -0.020 0.000 0.883 269 R CB 2.121 32.409 30.300 -0.020 0.000 1.171 269 R HN 0.580 nan 8.270 nan 0.000 0.450 270 R N 0.960 121.486 120.500 0.043 0.000 2.514 270 R HA 0.212 4.545 4.340 -0.013 0.000 0.301 270 R C 0.013 176.379 176.300 0.111 0.000 0.962 270 R CA -0.527 55.603 56.100 0.050 0.000 0.882 270 R CB 2.063 32.358 30.300 -0.008 0.000 1.143 270 R HN 0.648 nan 8.270 nan 0.000 0.452 271 T N -0.310 114.307 114.554 0.105 0.000 2.907 271 T HA 0.519 4.861 4.350 -0.013 0.000 0.298 271 T C -0.009 174.626 174.700 -0.108 0.000 1.017 271 T CA -0.585 61.495 62.100 -0.032 0.000 1.118 271 T CB 1.304 70.140 68.868 -0.053 0.000 0.948 271 T HN 0.607 nan 8.240 nan 0.000 0.531 272 A N 4.680 127.391 122.820 -0.181 0.000 2.435 272 A HA 0.782 5.094 4.320 -0.013 0.000 0.304 272 A C -0.307 177.203 177.584 -0.124 0.000 1.064 272 A CA -1.174 50.795 52.037 -0.114 0.000 0.727 272 A CB 1.448 20.415 19.000 -0.055 0.000 1.284 272 A HN 0.929 nan 8.150 nan 0.000 0.415 273 M N 2.234 121.790 119.600 -0.073 0.000 2.259 273 M HA 0.463 4.936 4.480 -0.013 0.000 0.304 273 M C 0.177 176.564 176.300 0.144 0.000 1.019 273 M CA -0.464 54.838 55.300 0.003 0.000 0.922 273 M CB 2.021 34.561 32.600 -0.100 0.000 1.600 273 M HN 0.805 nan 8.290 nan 0.000 0.433 274 G N 1.640 110.583 108.800 0.239 0.000 2.339 274 G HA2 0.587 4.539 3.960 -0.013 0.000 0.287 274 G HA3 0.587 4.539 3.960 -0.013 0.000 0.287 274 G C -0.005 175.061 174.900 0.276 0.000 1.163 274 G CA -0.404 44.836 45.100 0.233 0.000 0.872 274 G HN 0.862 nan 8.290 nan 0.000 0.464 275 G N 2.129 111.062 108.800 0.221 0.000 2.451 275 G HA2 0.646 4.599 3.960 -0.013 0.000 0.303 275 G HA3 0.646 4.599 3.960 -0.013 0.000 0.303 275 G C -2.378 172.454 174.900 -0.114 0.000 1.166 275 G CA -1.306 43.787 45.100 -0.012 0.000 0.884 275 G HN 0.504 nan 8.290 nan 0.000 0.514 276 P HA 0.021 nan 4.420 nan 0.000 0.269 276 P C 0.330 177.597 177.300 -0.054 0.000 1.252 276 P CA -0.329 62.667 63.100 -0.173 0.000 0.780 276 P CB 0.873 32.447 31.700 -0.211 0.000 0.829 277 F N 5.057 124.922 119.950 -0.141 0.000 2.161 277 F HA -0.193 4.325 4.527 -0.014 0.000 0.300 277 F C 2.272 178.041 175.800 -0.050 0.000 1.089 277 F CA 1.871 59.822 58.000 -0.081 0.000 1.282 277 F CB -0.735 38.222 39.000 -0.071 0.000 1.010 277 F HN 0.387 nan 8.300 nan 0.000 0.485 278 A N -0.311 122.435 122.820 -0.123 0.000 1.972 278 A HA -0.163 4.149 4.320 -0.013 0.000 0.219 278 A C 2.085 179.552 177.584 -0.195 0.000 1.169 278 A CA 1.750 53.681 52.037 -0.177 0.000 0.635 278 A CB -1.004 17.973 19.000 -0.037 0.000 0.810 278 A HN 0.462 nan 8.150 nan 0.000 0.446 279 L N -0.145 120.987 121.223 -0.152 0.000 2.162 279 L HA 0.047 4.380 4.340 -0.013 0.000 0.205 279 L C 1.714 178.497 176.870 -0.145 0.000 1.086 279 L CA 1.961 56.729 54.840 -0.121 0.000 0.778 279 L CB -0.696 41.295 42.059 -0.113 0.000 0.928 279 L HN 0.427 nan 8.230 nan 0.000 0.446 280 N N -0.605 117.988 118.700 -0.178 0.000 2.309 280 N HA -0.112 4.621 4.740 -0.013 0.000 0.182 280 N C 1.855 177.257 175.510 -0.179 0.000 1.018 280 N CA 0.814 53.791 53.050 -0.121 0.000 0.876 280 N CB -0.120 38.358 38.487 -0.015 0.000 0.972 280 N HN 0.493 nan 8.380 nan 0.000 0.434 281 A N 2.074 124.632 122.820 -0.438 0.000 1.851 281 A HA -0.102 4.210 4.320 -0.013 0.000 0.216 281 A C -0.253 177.213 177.584 -0.196 0.000 1.195 281 A CA 1.453 53.233 52.037 -0.429 0.000 0.622 281 A CB -1.575 17.053 19.000 -0.618 0.000 0.831 281 A HN 0.144 nan 8.150 nan 0.000 0.444 282 P HA -0.160 nan 4.420 nan 0.000 0.216 282 P C 1.364 178.969 177.300 0.509 0.000 1.150 282 P CA 1.147 64.296 63.100 0.082 0.000 0.843 282 P CB -0.124 31.739 31.700 0.271 0.000 0.787 283 I N -1.968 118.788 120.570 0.309 0.000 2.163 283 I HA -0.216 3.946 4.170 -0.013 0.000 0.240 283 I C 2.308 178.676 176.117 0.418 0.000 1.081 283 I CA 1.555 63.122 61.300 0.446 0.000 1.353 283 I CB -0.591 37.536 38.000 0.211 0.000 1.054 283 I HN -0.100 nan 8.210 nan 0.000 0.407 284 M N 0.520 120.258 119.600 0.229 0.000 2.267 284 M HA -0.184 4.288 4.480 -0.013 0.000 0.263 284 M C 2.408 178.831 176.300 0.204 0.000 1.063 284 M CA 1.785 57.201 55.300 0.194 0.000 1.090 284 M CB -0.507 32.172 32.600 0.133 0.000 1.392 284 M HN 0.298 nan 8.290 nan 0.000 0.422 285 A N -0.448 122.507 122.820 0.226 0.000 2.019 285 A HA -0.069 4.243 4.320 -0.013 0.000 0.219 285 A C 2.174 179.923 177.584 0.275 0.000 1.164 285 A CA 1.540 53.724 52.037 0.246 0.000 0.644 285 A CB -0.574 18.590 19.000 0.273 0.000 0.805 285 A HN 0.340 nan 8.150 nan 0.000 0.449 286 V N -1.258 118.858 119.914 0.336 0.000 2.795 286 V HA 0.030 4.142 4.120 -0.013 0.000 0.243 286 V C 2.884 179.049 176.094 0.119 0.000 1.069 286 V CA 1.094 63.513 62.300 0.198 0.000 1.089 286 V CB -0.701 31.257 31.823 0.224 0.000 0.756 286 V HN 0.539 nan 8.190 nan 0.000 0.471 287 A N 0.015 122.958 122.820 0.205 0.000 1.908 287 A HA -0.323 3.989 4.320 -0.013 0.000 0.218 287 A C 2.142 179.738 177.584 0.020 0.000 1.181 287 A CA 2.464 54.568 52.037 0.111 0.000 0.627 287 A CB -0.542 18.572 19.000 0.189 0.000 0.818 287 A HN 0.505 nan 8.150 nan 0.000 0.445 288 Q N 0.122 119.958 119.800 0.061 0.000 2.050 288 Q HA -0.068 4.264 4.340 -0.013 0.000 0.202 288 Q C -0.612 175.380 176.000 -0.014 0.000 0.980 288 Q CA 2.267 58.095 55.803 0.040 0.000 0.840 288 Q CB -1.357 27.427 28.738 0.075 0.000 0.898 288 Q HN 0.442 nan 8.270 nan 0.000 0.424 289 P HA -0.150 nan 4.420 nan 0.000 0.215 289 P C 1.302 178.526 177.300 -0.127 0.000 1.157 289 P CA 1.426 64.492 63.100 -0.056 0.000 0.868 289 P CB -0.067 31.607 31.700 -0.044 0.000 0.788 290 V N -0.123 119.668 119.914 -0.203 0.000 2.332 290 V HA -0.283 3.829 4.120 -0.013 0.000 0.248 290 V C 2.450 178.351 176.094 -0.321 0.000 1.055 290 V CA 1.857 63.954 62.300 -0.338 0.000 1.038 290 V CB -0.996 30.481 31.823 -0.578 0.000 0.651 290 V HN 0.106 nan 8.190 nan 0.000 0.450 291 R N 0.079 120.409 120.500 -0.283 0.000 2.073 291 R HA -0.147 4.185 4.340 -0.013 0.000 0.234 291 R C 2.294 178.395 176.300 -0.331 0.000 1.134 291 R CA 1.663 57.504 56.100 -0.431 0.000 0.952 291 R CB -0.536 29.663 30.300 -0.168 0.000 0.850 291 R HN 0.535 nan 8.270 nan 0.000 0.433 292 N N 1.086 119.721 118.700 -0.107 0.000 2.104 292 N HA -0.211 4.522 4.740 -0.013 0.000 0.190 292 N C 1.613 177.082 175.510 -0.069 0.000 1.024 292 N CA 1.313 54.343 53.050 -0.033 0.000 0.853 292 N CB -0.208 38.260 38.487 -0.030 0.000 1.008 292 N HN 0.254 nan 8.380 nan 0.000 0.424 293 K N 1.367 121.703 120.400 -0.107 0.000 1.965 293 K HA -0.097 4.215 4.320 -0.013 0.000 0.214 293 K C 2.223 178.796 176.600 -0.045 0.000 1.046 293 K CA 1.545 57.786 56.287 -0.077 0.000 0.944 293 K CB -0.312 32.152 32.500 -0.060 0.000 0.726 293 K HN 0.265 nan 8.250 nan 0.000 0.441 294 I N -1.480 119.043 120.570 -0.078 0.000 2.335 294 I HA -0.237 3.925 4.170 -0.013 0.000 0.251 294 I C 1.446 177.639 176.117 0.126 0.000 1.129 294 I CA 1.331 62.671 61.300 0.067 0.000 1.402 294 I CB -0.561 37.295 38.000 -0.241 0.000 1.069 294 I HN 0.127 nan 8.210 nan 0.000 0.424 295 Y N 1.993 122.315 120.300 0.037 0.000 2.509 295 Y HA -0.065 4.478 4.550 -0.013 0.000 0.293 295 Y C 2.925 178.752 175.900 -0.122 0.000 1.133 295 Y CA 0.463 58.567 58.100 0.008 0.000 1.283 295 Y CB -0.839 37.599 38.460 -0.038 0.000 1.001 295 Y HN 0.515 nan 8.280 nan 0.000 0.555 296 S N -0.146 115.565 115.700 0.018 0.000 2.339 296 S HA -0.064 4.398 4.470 -0.013 0.000 0.189 296 S C 2.015 176.564 174.600 -0.085 0.000 0.966 296 S CA 0.564 58.723 58.200 -0.068 0.000 0.925 296 S CB -0.565 62.585 63.200 -0.083 0.000 0.890 296 S HN 0.213 nan 8.310 nan 0.000 0.539 297 K N 0.129 120.423 120.400 -0.177 0.000 2.152 297 K HA -0.092 4.221 4.320 -0.013 0.000 0.206 297 K C 0.357 176.679 176.600 -0.462 0.000 1.048 297 K CA 1.371 57.425 56.287 -0.389 0.000 0.933 297 K CB -0.278 31.837 32.500 -0.642 0.000 0.721 297 K HN 0.609 nan 8.250 nan 0.000 0.447 298 Y N -0.488 119.874 120.300 0.103 0.000 2.751 298 Y HA 0.396 4.938 4.550 -0.013 0.000 0.289 298 Y C 1.230 177.170 175.900 0.066 0.000 1.110 298 Y CA -0.315 57.844 58.100 0.098 0.000 1.251 298 Y CB 0.093 38.642 38.460 0.148 0.000 1.178 298 Y HN 0.074 nan 8.280 nan 0.000 0.540 299 A N -0.282 122.639 122.820 0.169 0.000 1.997 299 A HA -0.329 3.984 4.320 -0.013 0.000 0.221 299 A C 1.936 179.574 177.584 0.090 0.000 1.172 299 A CA 2.046 54.178 52.037 0.159 0.000 0.645 299 A CB -0.966 18.100 19.000 0.109 0.000 0.813 299 A HN 0.665 nan 8.150 nan 0.000 0.454 300 Y N 0.951 121.246 120.300 -0.008 0.000 2.128 300 Y HA -0.246 4.297 4.550 -0.013 0.000 0.284 300 Y C 2.889 178.757 175.900 -0.053 0.000 1.154 300 Y CA 2.701 60.784 58.100 -0.029 0.000 1.149 300 Y CB -0.308 38.113 38.460 -0.065 0.000 0.976 300 Y HN 0.416 nan 8.280 nan 0.000 0.505 301 T N -2.564 111.932 114.554 -0.097 0.000 3.037 301 T HA 0.052 4.394 4.350 -0.013 0.000 0.251 301 T C 1.394 175.971 174.700 -0.205 0.000 1.079 301 T CA 0.510 62.451 62.100 -0.266 0.000 1.067 301 T CB -0.644 67.909 68.868 -0.524 0.000 0.948 301 T HN 0.334 nan 8.240 nan 0.000 0.496 302 F N -0.016 119.960 119.950 0.043 0.000 2.500 302 F HA 0.355 4.875 4.527 -0.012 0.000 0.285 302 F C 1.466 177.141 175.800 -0.208 0.000 1.088 302 F CA -0.574 57.469 58.000 0.071 0.000 1.432 302 F CB 0.196 39.236 39.000 0.068 0.000 1.131 302 F HN 0.227 nan 8.300 nan 0.000 0.582 303 H N 2.113 121.032 119.070 -0.253 0.000 2.761 303 H HA 0.185 4.733 4.556 -0.013 0.000 0.284 303 H C -0.954 173.954 175.328 -0.699 0.000 1.105 303 H CA -0.140 55.645 56.048 -0.439 0.000 1.352 303 H CB -0.078 29.606 29.762 -0.131 0.000 1.423 303 H HN 0.130 nan 8.280 nan 0.000 0.464 304 H N 3.662 122.458 119.070 -0.457 0.000 2.538 304 H HA 0.154 4.703 4.556 -0.013 0.000 0.353 304 H C 0.574 175.689 175.328 -0.354 0.000 1.109 304 H CA -0.401 55.438 56.048 -0.348 0.000 1.192 304 H CB 2.285 31.937 29.762 -0.184 0.000 1.555 304 H HN 0.733 nan 8.280 nan 0.000 0.518 305 T N -1.037 113.437 114.554 -0.134 0.000 3.216 305 T HA 0.084 4.427 4.350 -0.013 0.000 0.167 305 T C 0.902 175.649 174.700 0.078 0.000 0.905 305 T CA 0.481 62.577 62.100 -0.006 0.000 1.042 305 T CB -0.405 68.381 68.868 -0.137 0.000 1.787 305 T HN 0.558 nan 8.240 nan 0.000 0.355 306 T N 0.356 114.901 114.554 -0.016 0.000 2.754 306 T HA 0.383 4.726 4.350 -0.013 0.000 0.286 306 T C 1.196 175.863 174.700 -0.057 0.000 0.997 306 T CA -0.663 61.423 62.100 -0.023 0.000 0.982 306 T CB 0.824 69.664 68.868 -0.047 0.000 1.027 306 T HN 0.513 nan 8.240 nan 0.000 0.529 307 R N -0.033 120.434 120.500 -0.055 0.000 2.148 307 R HA 0.037 4.370 4.340 -0.013 0.000 0.227 307 R C 2.052 178.373 176.300 0.035 0.000 1.103 307 R CA 0.717 56.787 56.100 -0.050 0.000 0.983 307 R CB -0.695 29.602 30.300 -0.004 0.000 0.874 307 R HN 0.393 nan 8.270 nan 0.000 0.451 308 L N 1.184 122.414 121.223 0.013 0.000 2.270 308 L HA -0.030 4.302 4.340 -0.013 0.000 0.210 308 L C 2.093 178.972 176.870 0.015 0.000 1.104 308 L CA 1.188 56.043 54.840 0.025 0.000 0.804 308 L CB -0.523 41.534 42.059 -0.003 0.000 0.937 308 L HN 0.179 nan 8.230 nan 0.000 0.450 309 N N 0.077 118.772 118.700 -0.010 0.000 2.069 309 N HA -0.244 4.488 4.740 -0.013 0.000 0.191 309 N C 1.743 177.245 175.510 -0.013 0.000 1.031 309 N CA 1.719 54.757 53.050 -0.020 0.000 0.852 309 N CB 0.056 38.519 38.487 -0.041 0.000 1.018 309 N HN 0.225 nan 8.380 nan 0.000 0.423 310 K N 0.096 120.497 120.400 0.002 0.000 2.025 310 K HA -0.060 4.252 4.320 -0.013 0.000 0.207 310 K C 2.031 178.742 176.600 0.185 0.000 1.049 310 K CA 1.206 57.517 56.287 0.040 0.000 0.933 310 K CB -0.154 32.194 32.500 -0.253 0.000 0.714 310 K HN 0.310 nan 8.250 nan 0.000 0.438 311 E N 1.208 121.577 120.200 0.282 0.000 2.049 311 E HA -0.245 4.097 4.350 -0.013 0.000 0.198 311 E C 1.994 178.543 176.600 -0.085 0.000 1.007 311 E CA 1.458 57.898 56.400 0.066 0.000 0.809 311 E CB -0.021 29.701 29.700 0.036 0.000 0.749 311 E HN 0.322 nan 8.360 nan 0.000 0.450 312 E N 0.725 120.894 120.200 -0.051 0.000 2.035 312 E HA -0.266 4.076 4.350 -0.013 0.000 0.204 312 E C 2.091 178.617 176.600 -0.122 0.000 1.025 312 E CA 1.785 58.147 56.400 -0.064 0.000 0.835 312 E CB -0.104 29.579 29.700 -0.027 0.000 0.764 312 E HN 0.134 nan 8.360 nan 0.000 0.457 313 K N 0.211 120.503 120.400 -0.180 0.000 2.032 313 K HA -0.159 4.153 4.320 -0.013 0.000 0.209 313 K C 2.162 178.340 176.600 -0.704 0.000 1.048 313 K CA 1.466 57.577 56.287 -0.294 0.000 0.927 313 K CB -0.204 32.011 32.500 -0.475 0.000 0.712 313 K HN -0.011 nan 8.250 nan 0.000 0.441 314 V N 1.527 120.914 119.914 -0.879 0.000 2.548 314 V HA -0.195 3.918 4.120 -0.013 0.000 0.249 314 V C 2.080 177.781 176.094 -0.655 0.000 1.055 314 V CA 1.448 62.965 62.300 -1.306 0.000 1.065 314 V CB -0.343 30.928 31.823 -0.920 0.000 0.681 314 V HN 0.272 nan 8.190 nan 0.000 0.462 315 K N -0.060 120.116 120.400 -0.374 0.000 2.160 315 K HA -0.262 4.051 4.320 -0.013 0.000 0.206 315 K C 2.057 178.626 176.600 -0.051 0.000 1.047 315 K CA 1.778 57.959 56.287 -0.176 0.000 0.930 315 K CB -0.081 32.343 32.500 -0.128 0.000 0.720 315 K HN 0.523 nan 8.250 nan 0.000 0.450 316 E N -0.557 119.618 120.200 -0.042 0.000 2.502 316 E HA -0.081 4.262 4.350 -0.013 0.000 0.194 316 E C -0.393 176.393 176.600 0.311 0.000 1.062 316 E CA -0.144 56.326 56.400 0.117 0.000 0.867 316 E CB 0.319 30.098 29.700 0.132 0.000 0.888 316 E HN 0.128 nan 8.360 nan 0.000 0.510 317 W N -0.346 120.999 121.300 0.075 0.000 2.359 317 W HA 0.246 4.898 4.660 -0.013 0.000 0.344 317 W C 1.154 177.743 176.519 0.116 0.000 1.170 317 W CA -1.062 56.343 57.345 0.101 0.000 1.296 317 W CB 1.000 30.517 29.460 0.095 0.000 1.197 317 W HN -0.179 nan 8.180 nan 0.000 0.618 318 S N 0.520 116.438 115.700 0.362 0.000 2.492 318 S HA 0.106 4.569 4.470 -0.013 0.000 0.218 318 S C -0.067 174.697 174.600 0.274 0.000 1.016 318 S CA 0.131 58.494 58.200 0.272 0.000 0.916 318 S CB 0.158 63.496 63.200 0.230 0.000 0.791 318 S HN 0.230 nan 8.310 nan 0.000 0.513 319 L N 0.719 122.126 121.223 0.308 0.000 2.464 319 L HA 0.625 4.957 4.340 -0.013 0.000 0.266 319 L C -1.664 175.436 176.870 0.383 0.000 0.965 319 L CA -0.737 54.245 54.840 0.237 0.000 0.833 319 L CB 1.635 43.683 42.059 -0.018 0.000 1.296 319 L HN 0.109 nan 8.230 nan 0.000 0.405 320 C N 5.332 124.841 119.300 0.348 0.000 2.346 320 C HA 0.845 5.297 4.460 -0.013 0.000 0.326 320 C C -0.833 174.227 174.990 0.118 0.000 1.224 320 C CA -0.421 58.848 59.018 0.419 0.000 1.408 320 C CB 0.617 28.665 27.740 0.513 0.000 2.089 320 C HN 0.613 nan 8.230 nan 0.000 0.456 321 V N 6.110 126.066 119.914 0.070 0.000 2.384 321 V HA 0.654 4.767 4.120 -0.013 0.000 0.287 321 V C 0.590 176.658 176.094 -0.043 0.000 1.020 321 V CA -0.252 61.930 62.300 -0.197 0.000 0.850 321 V CB 1.465 33.200 31.823 -0.147 0.000 0.987 321 V HN 1.047 nan 8.190 nan 0.000 0.436 322 A N 3.994 126.810 122.820 -0.005 0.000 2.366 322 A HA 0.624 4.937 4.320 -0.013 0.000 0.322 322 A C 0.691 178.344 177.584 0.114 0.000 1.397 322 A CA -0.283 51.806 52.037 0.086 0.000 0.984 322 A CB -0.005 19.100 19.000 0.174 0.000 1.149 322 A HN 0.924 nan 8.150 nan 0.000 0.540 323 T N -0.433 114.155 114.554 0.056 0.000 2.788 323 T HA 0.527 4.869 4.350 -0.013 0.000 0.287 323 T C -0.520 174.273 174.700 0.156 0.000 1.007 323 T CA -0.289 61.881 62.100 0.117 0.000 1.005 323 T CB 1.122 70.029 68.868 0.065 0.000 1.012 323 T HN 0.469 nan 8.240 nan 0.000 0.530 324 D N -0.400 120.118 120.400 0.196 0.000 2.891 324 D HA 0.444 5.076 4.640 -0.013 0.000 0.224 324 D C -1.392 175.028 176.300 0.201 0.000 1.321 324 D CA -0.446 53.656 54.000 0.170 0.000 0.929 324 D CB 1.847 42.702 40.800 0.092 0.000 1.551 324 D HN 0.527 nan 8.370 nan 0.000 0.574 325 V N 2.174 122.219 119.914 0.219 0.000 2.483 325 V HA 0.528 4.641 4.120 -0.013 0.000 0.295 325 V C 0.348 176.557 176.094 0.191 0.000 1.035 325 V CA -0.794 61.639 62.300 0.221 0.000 0.896 325 V CB 1.678 33.677 31.823 0.293 0.000 0.986 325 V HN 0.606 nan 8.190 nan 0.000 0.447 326 S N 3.577 119.370 115.700 0.155 0.000 2.465 326 S HA 0.188 4.651 4.470 -0.013 0.000 0.279 326 S C 0.397 175.198 174.600 0.335 0.000 1.201 326 S CA -0.276 58.037 58.200 0.188 0.000 1.053 326 S CB -0.123 63.161 63.200 0.141 0.000 0.953 326 S HN 0.921 nan 8.310 nan 0.000 0.488 327 D N 2.751 123.333 120.400 0.304 0.000 2.740 327 D HA -0.233 4.399 4.640 -0.013 0.000 0.231 327 D C 0.713 177.245 176.300 0.386 0.000 1.194 327 D CA 0.977 55.159 54.000 0.303 0.000 0.673 327 D CB -0.929 40.024 40.800 0.256 0.000 0.995 327 D HN 0.989 nan 8.370 nan 0.000 0.411 328 H N 0.577 119.799 119.070 0.254 0.000 2.265 328 H HA -0.176 4.373 4.556 -0.013 0.000 0.293 328 H C 1.402 176.880 175.328 0.251 0.000 1.089 328 H CA 2.705 58.909 56.048 0.260 0.000 1.244 328 H CB 0.177 30.058 29.762 0.197 0.000 1.355 328 H HN 0.198 nan 8.280 nan 0.000 0.485 329 D N -1.013 119.489 120.400 0.170 0.000 2.149 329 D HA -0.142 4.491 4.640 -0.013 0.000 0.198 329 D C 2.257 178.550 176.300 -0.011 0.000 0.990 329 D CA 2.150 56.174 54.000 0.041 0.000 0.839 329 D CB -0.628 40.196 40.800 0.039 0.000 0.948 329 D HN 0.700 nan 8.370 nan 0.000 0.460 330 T N -2.804 111.735 114.554 -0.025 0.000 3.067 330 T HA 0.013 4.355 4.350 -0.013 0.000 0.261 330 T C 1.754 176.356 174.700 -0.163 0.000 1.110 330 T CA 0.255 62.283 62.100 -0.120 0.000 1.113 330 T CB -0.433 68.319 68.868 -0.194 0.000 0.917 330 T HN 0.077 nan 8.240 nan 0.000 0.499 331 F N -0.451 119.501 119.950 0.004 0.000 2.698 331 F HA 0.374 4.894 4.527 -0.012 0.000 0.295 331 F C 0.842 176.618 175.800 -0.040 0.000 1.124 331 F CA -1.652 56.346 58.000 -0.004 0.000 1.426 331 F CB 0.017 39.018 39.000 0.002 0.000 1.120 331 F HN 0.150 nan 8.300 nan 0.000 0.583 332 W N 5.755 126.977 121.300 -0.131 0.000 2.513 332 W HA -0.012 4.641 4.660 -0.012 0.000 0.339 332 W C -2.206 174.164 176.519 -0.248 0.000 1.257 332 W CA -1.534 55.652 57.345 -0.265 0.000 1.280 332 W CB 0.059 29.333 29.460 -0.311 0.000 1.214 332 W HN -0.164 nan 8.180 nan 0.000 0.567 333 P HA 0.094 nan 4.420 nan 0.000 0.282 333 P C 0.566 177.304 177.300 -0.937 0.000 1.262 333 P CA 0.202 62.769 63.100 -0.888 0.000 0.773 333 P CB 1.370 32.179 31.700 -1.485 0.000 0.879 334 G N 3.748 112.333 108.800 -0.359 0.000 2.470 334 G HA2 -0.218 3.735 3.960 -0.013 0.000 0.220 334 G HA3 -0.218 3.735 3.960 -0.013 0.000 0.220 334 G C 1.250 176.039 174.900 -0.186 0.000 1.121 334 G CA -0.087 44.928 45.100 -0.141 0.000 0.766 334 G HN 0.716 nan 8.290 nan 0.000 0.553 335 W N 0.146 121.339 121.300 -0.179 0.000 2.425 335 W HA 0.054 4.707 4.660 -0.012 0.000 0.277 335 W C 1.597 177.957 176.519 -0.265 0.000 1.231 335 W CA 0.350 57.591 57.345 -0.174 0.000 1.248 335 W CB -0.898 28.474 29.460 -0.147 0.000 1.117 335 W HN 0.156 nan 8.180 nan 0.000 0.568 336 L N 2.317 122.961 121.223 -0.966 0.000 2.141 336 L HA -0.073 4.259 4.340 -0.013 0.000 0.209 336 L C 2.989 179.633 176.870 -0.377 0.000 1.094 336 L CA 1.945 56.229 54.840 -0.927 0.000 0.763 336 L CB -1.008 40.076 42.059 -1.625 0.000 0.908 336 L HN -0.019 nan 8.230 nan 0.000 0.437 337 R N -0.445 119.911 120.500 -0.241 0.000 2.070 337 R HA -0.178 4.154 4.340 -0.013 0.000 0.233 337 R C 1.783 178.146 176.300 0.105 0.000 1.137 337 R CA 2.027 58.222 56.100 0.158 0.000 0.945 337 R CB -0.533 29.914 30.300 0.244 0.000 0.845 337 R HN 0.368 nan 8.270 nan 0.000 0.430 338 D N 1.246 121.682 120.400 0.061 0.000 2.144 338 D HA -0.180 4.453 4.640 -0.013 0.000 0.199 338 D C 1.907 178.243 176.300 0.060 0.000 0.984 338 D CA 0.692 54.736 54.000 0.074 0.000 0.834 338 D CB -0.232 40.618 40.800 0.083 0.000 0.955 338 D HN 0.208 nan 8.370 nan 0.000 0.465 339 L N 1.169 122.423 121.223 0.051 0.000 2.005 339 L HA -0.113 4.219 4.340 -0.013 0.000 0.207 339 L C 2.245 179.118 176.870 0.006 0.000 1.072 339 L CA 1.295 56.163 54.840 0.047 0.000 0.744 339 L CB -0.915 41.185 42.059 0.069 0.000 0.895 339 L HN -0.001 nan 8.230 nan 0.000 0.433 340 I N -0.500 120.061 120.570 -0.014 0.000 2.208 340 I HA -0.400 3.763 4.170 -0.013 0.000 0.245 340 I C 2.793 178.830 176.117 -0.135 0.000 1.097 340 I CA 1.425 62.679 61.300 -0.076 0.000 1.363 340 I CB -0.509 37.478 38.000 -0.023 0.000 1.051 340 I HN 0.364 nan 8.210 nan 0.000 0.413 341 C N 0.406 119.690 119.300 -0.028 0.000 2.429 341 C HA -0.187 4.266 4.460 -0.013 0.000 0.277 341 C C 2.581 177.549 174.990 -0.037 0.000 1.262 341 C CA 1.236 60.240 59.018 -0.023 0.000 1.733 341 C CB -0.994 26.793 27.740 0.078 0.000 2.010 341 C HN 0.567 nan 8.230 nan 0.000 0.483 342 D N 0.648 121.042 120.400 -0.009 0.000 2.092 342 D HA -0.179 4.454 4.640 -0.013 0.000 0.193 342 D C 2.085 178.369 176.300 -0.026 0.000 0.994 342 D CA 1.689 55.689 54.000 -0.001 0.000 0.828 342 D CB -0.203 40.607 40.800 0.017 0.000 0.963 342 D HN 0.391 nan 8.370 nan 0.000 0.450 343 E N -0.617 119.553 120.200 -0.050 0.000 2.110 343 E HA -0.113 4.230 4.350 -0.013 0.000 0.193 343 E C 1.978 178.510 176.600 -0.114 0.000 0.988 343 E CA 0.521 56.883 56.400 -0.062 0.000 0.804 343 E CB -0.396 29.267 29.700 -0.061 0.000 0.745 343 E HN 0.216 nan 8.360 nan 0.000 0.458 344 L N 0.161 121.246 121.223 -0.230 0.000 2.012 344 L HA -0.172 4.161 4.340 -0.013 0.000 0.210 344 L C 2.203 179.013 176.870 -0.099 0.000 1.073 344 L CA 1.333 55.955 54.840 -0.364 0.000 0.748 344 L CB -1.259 40.455 42.059 -0.575 0.000 0.891 344 L HN 0.289 nan 8.230 nan 0.000 0.431 345 L N -0.189 121.008 121.223 -0.043 0.000 2.012 345 L HA -0.231 4.101 4.340 -0.013 0.000 0.210 345 L C 2.376 179.265 176.870 0.031 0.000 1.073 345 L CA 1.527 56.382 54.840 0.024 0.000 0.748 345 L CB -1.455 40.618 42.059 0.023 0.000 0.891 345 L HN 0.371 nan 8.230 nan 0.000 0.431 346 N N -0.436 118.272 118.700 0.013 0.000 2.069 346 N HA -0.198 4.535 4.740 -0.013 0.000 0.191 346 N C 1.773 177.305 175.510 0.037 0.000 1.031 346 N CA 1.534 54.596 53.050 0.021 0.000 0.852 346 N CB -0.337 38.159 38.487 0.014 0.000 1.018 346 N HN 0.394 nan 8.380 nan 0.000 0.423 347 M N -0.862 118.769 119.600 0.050 0.000 2.446 347 M HA 0.025 4.497 4.480 -0.013 0.000 0.263 347 M C 0.984 177.343 176.300 0.099 0.000 1.066 347 M CA 1.284 56.637 55.300 0.090 0.000 1.087 347 M CB -0.126 32.562 32.600 0.145 0.000 1.406 347 M HN 0.315 nan 8.290 nan 0.000 0.459 348 G N -0.313 108.546 108.800 0.098 0.000 2.143 348 G HA2 -0.207 3.745 3.960 -0.013 0.000 0.175 348 G HA3 -0.207 3.745 3.960 -0.013 0.000 0.175 348 G C -0.342 174.550 174.900 -0.012 0.000 1.004 348 G CA -0.751 44.370 45.100 0.034 0.000 0.671 348 G HN 0.446 nan 8.290 nan 0.000 0.512 349 Y N 1.181 121.402 120.300 -0.132 0.000 2.411 349 Y HA 0.434 4.976 4.550 -0.013 0.000 0.333 349 Y C 1.369 177.137 175.900 -0.219 0.000 1.186 349 Y CA 0.189 58.162 58.100 -0.211 0.000 1.381 349 Y CB 0.974 39.303 38.460 -0.217 0.000 1.273 349 Y HN 0.503 nan 8.280 nan 0.000 0.546 350 A N 6.953 129.592 122.820 -0.303 0.000 2.580 350 A HA -0.017 4.296 4.320 -0.013 0.000 0.244 350 A C -1.441 175.953 177.584 -0.318 0.000 1.045 350 A CA -1.007 50.774 52.037 -0.426 0.000 0.761 350 A CB -0.250 18.105 19.000 -1.074 0.000 0.962 350 A HN 0.632 nan 8.150 nan 0.000 0.512 351 P HA -0.179 nan 4.420 nan 0.000 0.218 351 P C 1.619 178.962 177.300 0.070 0.000 1.149 351 P CA 1.761 64.875 63.100 0.024 0.000 0.817 351 P CB -0.278 31.473 31.700 0.085 0.000 0.785 352 W N -1.047 120.340 121.300 0.145 0.000 2.342 352 W HA -0.137 4.518 4.660 -0.008 0.000 0.297 352 W C 2.027 178.664 176.519 0.198 0.000 1.213 352 W CA 0.257 57.680 57.345 0.131 0.000 1.251 352 W CB -1.987 27.532 29.460 0.098 0.000 1.136 352 W HN -0.009 nan 8.180 nan 0.000 0.526 353 W N 2.237 123.202 121.300 -0.557 0.000 2.407 353 W HA -0.128 4.524 4.660 -0.013 0.000 0.305 353 W C 2.463 178.971 176.519 -0.018 0.000 1.196 353 W CA 2.790 59.938 57.345 -0.330 0.000 1.311 353 W CB -0.664 28.355 29.460 -0.736 0.000 1.135 353 W HN -0.284 nan 8.180 nan 0.000 0.514 354 V N 1.378 121.458 119.914 0.277 0.000 2.392 354 V HA -0.318 3.795 4.120 -0.013 0.000 0.249 354 V C 2.287 178.422 176.094 0.068 0.000 1.059 354 V CA 2.292 64.713 62.300 0.201 0.000 1.051 354 V CB -1.048 30.877 31.823 0.170 0.000 0.658 354 V HN 0.088 nan 8.190 nan 0.000 0.455 355 K N 0.295 120.748 120.400 0.089 0.000 2.147 355 K HA -0.091 4.221 4.320 -0.013 0.000 0.205 355 K C 1.869 178.510 176.600 0.067 0.000 1.049 355 K CA 1.463 57.813 56.287 0.105 0.000 0.936 355 K CB -0.446 32.136 32.500 0.136 0.000 0.722 355 K HN 0.418 nan 8.250 nan 0.000 0.446 356 L N -0.598 120.619 121.223 -0.010 0.000 1.994 356 L HA -0.128 4.204 4.340 -0.013 0.000 0.208 356 L C 2.179 178.944 176.870 -0.174 0.000 1.071 356 L CA 1.380 56.175 54.840 -0.074 0.000 0.745 356 L CB -0.559 41.420 42.059 -0.132 0.000 0.892 356 L HN 0.147 nan 8.230 nan 0.000 0.431 357 F N 1.115 120.743 119.950 -0.536 0.000 2.063 357 F HA -0.333 4.186 4.527 -0.013 0.000 0.298 357 F C 2.690 178.377 175.800 -0.188 0.000 1.109 357 F CA 2.269 59.980 58.000 -0.481 0.000 1.212 357 F CB -0.288 38.303 39.000 -0.682 0.000 0.973 357 F HN 0.145 nan 8.300 nan 0.000 0.480 358 E N -0.621 119.606 120.200 0.045 0.000 2.049 358 E HA -0.261 4.081 4.350 -0.013 0.000 0.198 358 E C 2.042 178.619 176.600 -0.037 0.000 1.007 358 E CA 2.296 58.719 56.400 0.038 0.000 0.809 358 E CB -0.402 29.360 29.700 0.103 0.000 0.749 358 E HN 0.435 nan 8.360 nan 0.000 0.450 359 T N 0.454 115.008 114.554 -0.000 0.000 2.759 359 T HA -0.182 4.160 4.350 -0.013 0.000 0.269 359 T C 2.012 176.673 174.700 -0.065 0.000 1.042 359 T CA 1.615 63.716 62.100 0.001 0.000 1.140 359 T CB -0.419 68.529 68.868 0.133 0.000 0.864 359 T HN 0.347 nan 8.240 nan 0.000 0.455 360 S N 1.069 116.690 115.700 -0.131 0.000 2.500 360 S HA 0.052 4.515 4.470 -0.013 0.000 0.239 360 S C 1.611 176.172 174.600 -0.065 0.000 0.989 360 S CA 0.637 58.762 58.200 -0.125 0.000 0.951 360 S CB -0.564 62.500 63.200 -0.226 0.000 0.759 360 S HN 0.490 nan 8.310 nan 0.000 0.523 361 L N 0.466 121.601 121.223 -0.146 0.000 2.667 361 L HA 0.340 4.673 4.340 -0.013 0.000 0.232 361 L C 1.086 177.933 176.870 -0.038 0.000 1.138 361 L CA 0.004 54.768 54.840 -0.127 0.000 0.921 361 L CB 0.103 42.057 42.059 -0.176 0.000 1.180 361 L HN 0.404 nan 8.230 nan 0.000 0.487 362 K N -0.931 119.458 120.400 -0.018 0.000 2.589 362 K HA 0.257 4.570 4.320 -0.013 0.000 0.198 362 K C -0.176 176.412 176.600 -0.020 0.000 1.114 362 K CA -0.576 55.700 56.287 -0.018 0.000 1.070 362 K CB 0.759 33.238 32.500 -0.036 0.000 0.860 362 K HN -0.038 nan 8.250 nan 0.000 0.536 363 L N 3.085 124.330 121.223 0.037 0.000 2.439 363 L HA 0.269 4.601 4.340 -0.013 0.000 0.269 363 L C -2.381 174.536 176.870 0.078 0.000 1.179 363 L CA -1.588 53.266 54.840 0.023 0.000 0.828 363 L CB 0.324 42.393 42.059 0.017 0.000 1.106 363 L HN -0.037 nan 8.230 nan 0.000 0.467 364 P HA 0.139 nan 4.420 nan 0.000 0.271 364 P C -1.352 176.030 177.300 0.137 0.000 1.244 364 P CA -0.179 62.960 63.100 0.065 0.000 0.793 364 P CB 0.592 32.306 31.700 0.023 0.000 0.984 365 V N 1.393 121.403 119.914 0.160 0.000 2.577 365 V HA 0.269 4.382 4.120 -0.013 0.000 0.303 365 V C -1.126 175.096 176.094 0.212 0.000 1.042 365 V CA -0.559 61.853 62.300 0.187 0.000 0.872 365 V CB 1.453 33.353 31.823 0.128 0.000 0.998 365 V HN 0.383 nan 8.190 nan 0.000 0.423 366 Y N 5.053 125.423 120.300 0.117 0.000 2.335 366 Y HA 0.638 5.182 4.550 -0.010 0.000 0.339 366 Y C -0.264 175.635 175.900 -0.002 0.000 0.987 366 Y CA -0.449 57.733 58.100 0.137 0.000 1.140 366 Y CB 1.563 40.173 38.460 0.250 0.000 1.173 366 Y HN 0.401 nan 8.280 nan 0.000 0.486 367 V N 7.885 127.476 119.914 -0.538 0.000 2.383 367 V HA 0.340 4.452 4.120 -0.013 0.000 0.275 367 V C 0.786 176.422 176.094 -0.762 0.000 1.036 367 V CA 0.394 62.360 62.300 -0.557 0.000 0.889 367 V CB 0.798 32.290 31.823 -0.552 0.000 0.985 367 V HN 1.085 nan 8.190 nan 0.000 0.459 368 G N 3.735 112.200 108.800 -0.559 0.000 2.561 368 G HA2 0.388 4.340 3.960 -0.013 0.000 0.208 368 G HA3 0.388 4.340 3.960 -0.013 0.000 0.208 368 G C 0.305 174.891 174.900 -0.522 0.000 1.510 368 G CA 0.523 45.339 45.100 -0.473 0.000 0.941 368 G HN 1.041 nan 8.290 nan 0.000 0.478 369 A N 0.558 123.263 122.820 -0.190 0.000 2.763 369 A HA 0.643 4.955 4.320 -0.013 0.000 0.325 369 A C -1.488 176.161 177.584 0.108 0.000 1.209 369 A CA -0.897 51.115 52.037 -0.043 0.000 0.764 369 A CB 1.423 20.485 19.000 0.104 0.000 1.120 369 A HN 0.266 nan 8.150 nan 0.000 0.463 370 P HA 0.123 nan 4.420 nan 0.000 0.226 370 P C 0.479 177.676 177.300 -0.172 0.000 1.153 370 P CA 1.605 64.441 63.100 -0.440 0.000 0.777 370 P CB 0.384 31.731 31.700 -0.588 0.000 0.794 371 A N -1.384 121.430 122.820 -0.009 0.000 2.544 371 A HA 0.570 4.883 4.320 -0.013 0.000 0.291 371 A C -3.170 174.277 177.584 -0.228 0.000 1.055 371 A CA -1.399 50.496 52.037 -0.236 0.000 0.651 371 A CB 0.162 19.058 19.000 -0.173 0.000 1.296 371 A HN -0.275 nan 8.150 nan 0.000 0.431 372 P HA 0.341 nan 4.420 nan 0.000 0.264 372 P C -0.577 176.709 177.300 -0.025 0.000 1.193 372 P CA 1.123 64.097 63.100 -0.210 0.000 0.763 372 P CB 0.107 31.637 31.700 -0.285 0.000 0.810 373 E N 0.264 120.511 120.200 0.079 0.000 2.252 373 E HA -0.261 4.082 4.350 -0.013 0.000 0.218 373 E C -0.364 176.308 176.600 0.121 0.000 1.253 373 E CA 0.875 57.330 56.400 0.091 0.000 0.705 373 E CB -1.356 28.371 29.700 0.045 0.000 1.172 373 E HN 0.495 nan 8.360 nan 0.000 0.369 374 Q N -0.887 119.021 119.800 0.180 0.000 2.353 374 Q HA 0.571 4.904 4.340 -0.013 0.000 0.275 374 Q C 0.237 176.347 176.000 0.184 0.000 1.029 374 Q CA -0.227 55.704 55.803 0.214 0.000 0.848 374 Q CB 2.373 31.230 28.738 0.198 0.000 1.390 374 Q HN 0.322 nan 8.270 nan 0.000 0.401 375 G N 0.702 109.641 108.800 0.232 0.000 2.418 375 G HA2 -0.201 3.751 3.960 -0.013 0.000 0.206 375 G HA3 -0.201 3.751 3.960 -0.013 0.000 0.206 375 G C -1.000 173.902 174.900 0.003 0.000 1.202 375 G CA -0.023 45.038 45.100 -0.065 0.000 1.061 375 G HN 0.921 nan 8.290 nan 0.000 0.563 376 H N -0.572 118.418 119.070 -0.133 0.000 2.677 376 H HA -0.032 4.516 4.556 -0.013 0.000 0.321 376 H C 0.143 175.428 175.328 -0.073 0.000 1.171 376 H CA 1.422 57.417 56.048 -0.087 0.000 1.139 376 H CB -1.828 27.990 29.762 0.094 0.000 1.515 376 H HN 0.799 nan 8.280 nan 0.000 0.423 377 T N 0.898 115.314 114.554 -0.230 0.000 2.971 377 T HA 0.443 4.786 4.350 -0.013 0.000 0.304 377 T C -0.389 174.320 174.700 0.016 0.000 1.038 377 T CA -0.881 61.254 62.100 0.059 0.000 1.007 377 T CB 1.931 70.954 68.868 0.259 0.000 1.055 377 T HN 0.259 nan 8.240 nan 0.000 0.451 378 L N 4.482 125.871 121.223 0.276 0.000 2.292 378 L HA 0.633 4.965 4.340 -0.013 0.000 0.284 378 L C -1.213 175.901 176.870 0.408 0.000 1.065 378 L CA -0.355 54.704 54.840 0.365 0.000 0.806 378 L CB 0.276 42.599 42.059 0.439 0.000 1.175 378 L HN 0.581 nan 8.230 nan 0.000 0.431 379 L N 6.087 127.504 121.223 0.322 0.000 2.296 379 L HA 0.797 5.130 4.340 -0.013 0.000 0.286 379 L C 0.580 177.593 176.870 0.237 0.000 1.023 379 L CA -0.444 54.568 54.840 0.286 0.000 0.812 379 L CB 0.961 43.162 42.059 0.238 0.000 1.223 379 L HN 0.944 nan 8.230 nan 0.000 0.421 380 G N 2.142 111.095 108.800 0.255 0.000 2.705 380 G HA2 -0.181 3.771 3.960 -0.013 0.000 0.686 380 G HA3 -0.181 3.771 3.960 -0.013 0.000 0.686 380 G C -1.124 173.921 174.900 0.240 0.000 1.285 380 G CA -0.836 44.383 45.100 0.199 0.000 0.800 380 G HN 0.699 nan 8.290 nan 0.000 0.611 381 D N 2.063 122.567 120.400 0.174 0.000 2.313 381 D HA 0.508 5.141 4.640 -0.013 0.000 0.239 381 D C -0.872 175.382 176.300 -0.077 0.000 1.142 381 D CA -2.250 51.792 54.000 0.071 0.000 0.847 381 D CB 1.522 42.406 40.800 0.141 0.000 1.082 381 D HN 0.033 nan 8.370 nan 0.000 0.480 382 P HA -0.056 nan 4.420 nan 0.000 0.225 382 P C 1.017 178.222 177.300 -0.158 0.000 1.148 382 P CA 0.660 63.636 63.100 -0.207 0.000 0.779 382 P CB 0.370 31.887 31.700 -0.306 0.000 0.780 383 S N -1.339 114.304 115.700 -0.095 0.000 2.428 383 S HA -0.093 4.369 4.470 -0.013 0.000 0.230 383 S C 1.026 175.624 174.600 -0.003 0.000 1.014 383 S CA 0.759 58.964 58.200 0.008 0.000 0.957 383 S CB -0.650 62.565 63.200 0.026 0.000 0.784 383 S HN 0.288 nan 8.310 nan 0.000 0.499 384 N N 1.292 119.918 118.700 -0.125 0.000 2.725 384 N HA 0.186 4.918 4.740 -0.013 0.000 0.248 384 N C -3.169 172.157 175.510 -0.307 0.000 1.402 384 N CA -1.510 51.410 53.050 -0.217 0.000 0.766 384 N CB 1.127 39.590 38.487 -0.040 0.000 1.223 384 N HN 0.011 nan 8.380 nan 0.000 0.515 385 P HA 0.040 nan 4.420 nan 0.000 0.260 385 P C -0.996 176.165 177.300 -0.231 0.000 1.185 385 P CA 0.599 63.483 63.100 -0.360 0.000 0.763 385 P CB 0.647 32.073 31.700 -0.456 0.000 0.776 386 D N 1.634 121.965 120.400 -0.115 0.000 2.969 386 D HA 0.097 4.729 4.640 -0.013 0.000 0.317 386 D C -0.191 176.095 176.300 -0.023 0.000 1.650 386 D CA -0.303 53.661 54.000 -0.059 0.000 0.789 386 D CB -0.828 39.946 40.800 -0.044 0.000 1.277 386 D HN -0.004 nan 8.370 nan 0.000 0.463 387 L N 0.417 121.630 121.223 -0.017 0.000 2.468 387 L HA 0.610 4.942 4.340 -0.013 0.000 0.254 387 L C 0.385 177.258 176.870 0.004 0.000 1.171 387 L CA 0.172 55.014 54.840 0.003 0.000 0.809 387 L CB 0.702 42.772 42.059 0.018 0.000 1.155 387 L HN 0.126 nan 8.230 nan 0.000 0.473 388 E N -0.803 119.401 120.200 0.007 0.000 3.711 388 E HA 0.173 4.516 4.350 -0.013 0.000 0.267 388 E C 0.122 176.726 176.600 0.007 0.000 1.198 388 E CA -0.024 56.385 56.400 0.015 0.000 1.150 388 E CB 0.236 29.946 29.700 0.018 0.000 1.297 388 E HN 0.296 nan 8.360 nan 0.000 0.399 389 V N -0.593 119.316 119.914 -0.007 0.000 3.461 389 V HA 0.565 4.678 4.120 -0.013 0.000 0.267 389 V C 1.137 177.210 176.094 -0.035 0.000 1.186 389 V CA 1.133 63.415 62.300 -0.030 0.000 1.154 389 V CB -0.571 31.215 31.823 -0.061 0.000 0.802 389 V HN 0.521 nan 8.190 nan 0.000 0.474 390 G N 0.278 109.086 108.800 0.012 0.000 2.601 390 G HA2 -0.152 3.800 3.960 -0.013 0.000 0.224 390 G HA3 -0.152 3.800 3.960 -0.013 0.000 0.224 390 G C -0.654 174.231 174.900 -0.026 0.000 1.171 390 G CA -0.138 45.010 45.100 0.080 0.000 1.009 390 G HN 0.469 nan 8.290 nan 0.000 0.589 391 L N 1.559 122.670 121.223 -0.187 0.000 2.295 391 L HA 0.583 4.915 4.340 -0.013 0.000 0.285 391 L C 0.206 176.856 176.870 -0.367 0.000 1.035 391 L CA -0.565 53.995 54.840 -0.468 0.000 0.806 391 L CB 1.608 43.308 42.059 -0.598 0.000 1.214 391 L HN 0.566 nan 8.230 nan 0.000 0.426 392 S N 1.085 116.506 115.700 -0.466 0.000 2.439 392 S HA 0.023 4.486 4.470 -0.013 0.000 0.282 392 S C 1.151 175.506 174.600 -0.409 0.000 1.170 392 S CA -0.361 57.497 58.200 -0.570 0.000 1.054 392 S CB 1.462 63.931 63.200 -1.217 0.000 0.956 392 S HN 0.817 nan 8.310 nan 0.000 0.490 393 S N 2.963 118.500 115.700 -0.272 0.000 2.441 393 S HA -0.119 4.344 4.470 -0.013 0.000 0.242 393 S C 1.375 175.915 174.600 -0.101 0.000 1.018 393 S CA 1.077 59.185 58.200 -0.154 0.000 0.988 393 S CB -0.313 62.830 63.200 -0.096 0.000 0.778 393 S HN 0.826 nan 8.310 nan 0.000 0.498 394 G N 0.356 109.090 108.800 -0.109 0.000 3.690 394 G HA2 0.240 4.192 3.960 -0.013 0.000 0.283 394 G HA3 0.240 4.192 3.960 -0.013 0.000 0.283 394 G C 0.002 174.997 174.900 0.159 0.000 1.057 394 G CA -0.462 44.673 45.100 0.058 0.000 0.821 394 G HN 0.464 nan 8.290 nan 0.000 0.526 395 Q N 0.385 120.202 119.800 0.027 0.000 2.340 395 Q HA 0.240 4.572 4.340 -0.013 0.000 0.249 395 Q C 1.634 177.661 176.000 0.046 0.000 0.957 395 Q CA 0.198 56.050 55.803 0.082 0.000 0.882 395 Q CB 1.432 30.109 28.738 -0.102 0.000 1.235 395 Q HN 0.136 nan 8.270 nan 0.000 0.439 396 G N 2.458 111.295 108.800 0.061 0.000 2.507 396 G HA2 -0.232 3.721 3.960 -0.013 0.000 0.221 396 G HA3 -0.232 3.721 3.960 -0.013 0.000 0.221 396 G C 0.732 175.708 174.900 0.127 0.000 1.119 396 G CA 0.993 46.154 45.100 0.102 0.000 0.751 396 G HN 0.643 nan 8.290 nan 0.000 0.574 397 A N -0.892 121.997 122.820 0.115 0.000 2.606 397 A HA 0.511 4.823 4.320 -0.013 0.000 0.290 397 A C 1.818 179.437 177.584 0.058 0.000 1.174 397 A CA 0.986 53.120 52.037 0.161 0.000 0.958 397 A CB -0.096 19.135 19.000 0.385 0.000 1.194 397 A HN 0.100 nan 8.150 nan 0.000 0.526 398 T N 1.879 116.416 114.554 -0.028 0.000 2.624 398 T HA -0.263 4.079 4.350 -0.013 0.000 0.266 398 T C 1.807 176.476 174.700 -0.053 0.000 1.050 398 T CA 2.404 64.439 62.100 -0.107 0.000 1.163 398 T CB -0.377 68.425 68.868 -0.111 0.000 0.861 398 T HN 0.856 nan 8.240 nan 0.000 0.443 399 D N 1.270 121.673 120.400 0.005 0.000 2.123 399 D HA -0.116 4.517 4.640 -0.013 0.000 0.196 399 D C 2.056 178.369 176.300 0.021 0.000 0.992 399 D CA 0.908 54.922 54.000 0.023 0.000 0.833 399 D CB -0.733 40.099 40.800 0.054 0.000 0.954 399 D HN 0.262 nan 8.370 nan 0.000 0.455 400 L N 0.113 121.351 121.223 0.026 0.000 2.046 400 L HA -0.062 4.270 4.340 -0.013 0.000 0.208 400 L C 2.606 179.562 176.870 0.142 0.000 1.077 400 L CA 1.165 56.024 54.840 0.031 0.000 0.747 400 L CB -1.111 40.990 42.059 0.070 0.000 0.896 400 L HN 0.107 nan 8.230 nan 0.000 0.432 401 M N -0.735 118.961 119.600 0.159 0.000 2.159 401 M HA -0.096 4.376 4.480 -0.013 0.000 0.263 401 M C 2.246 178.804 176.300 0.429 0.000 1.063 401 M CA 1.663 57.117 55.300 0.257 0.000 1.110 401 M CB -1.775 30.718 32.600 -0.178 0.000 1.374 401 M HN 0.317 nan 8.290 nan 0.000 0.411 402 G N -0.913 108.035 108.800 0.247 0.000 2.408 402 G HA2 -0.118 3.834 3.960 -0.013 0.000 0.215 402 G HA3 -0.118 3.834 3.960 -0.013 0.000 0.215 402 G C 1.606 176.676 174.900 0.283 0.000 1.156 402 G CA 1.007 46.344 45.100 0.396 0.000 0.793 402 G HN 0.379 nan 8.290 nan 0.000 0.535 403 T N 1.271 115.924 114.554 0.165 0.000 2.812 403 T HA -0.038 4.305 4.350 -0.013 0.000 0.264 403 T C 2.200 177.017 174.700 0.194 0.000 1.042 403 T CA 0.763 62.936 62.100 0.121 0.000 1.140 403 T CB -0.166 68.644 68.868 -0.096 0.000 0.870 403 T HN 0.089 nan 8.240 nan 0.000 0.445 404 L N 1.262 122.615 121.223 0.217 0.000 1.994 404 L HA 0.116 4.449 4.340 -0.013 0.000 0.208 404 L C 1.491 178.590 176.870 0.381 0.000 1.071 404 L CA 1.535 56.568 54.840 0.321 0.000 0.745 404 L CB -1.506 40.752 42.059 0.330 0.000 0.892 404 L HN 0.258 nan 8.230 nan 0.000 0.431 405 L N -0.878 120.554 121.223 0.350 0.000 2.347 405 L HA -0.022 4.310 4.340 -0.013 0.000 0.172 405 L C 1.781 178.827 176.870 0.294 0.000 1.009 405 L CA 0.743 55.739 54.840 0.260 0.000 0.974 405 L CB -0.060 42.083 42.059 0.140 0.000 1.427 405 L HN 0.463 nan 8.230 nan 0.000 0.507 406 M N -0.839 118.870 119.600 0.182 0.000 1.778 406 M HA -0.407 4.066 4.480 -0.013 0.000 0.233 406 M C 1.998 178.292 176.300 -0.010 0.000 0.523 406 M CA 2.305 57.565 55.300 -0.067 0.000 0.637 406 M CB -2.899 29.745 32.600 0.072 0.000 1.756 406 M HN 0.818 nan 8.290 nan 0.000 0.309 407 S N 0.048 115.966 115.700 0.363 0.000 2.351 407 S HA -0.100 4.362 4.470 -0.013 0.000 0.220 407 S C 1.761 176.644 174.600 0.471 0.000 1.035 407 S CA 1.861 60.417 58.200 0.593 0.000 1.031 407 S CB -0.072 63.603 63.200 0.791 0.000 0.928 407 S HN 0.399 nan 8.310 nan 0.000 0.433 408 I N 1.634 122.419 120.570 0.358 0.000 2.226 408 I HA -0.103 4.059 4.170 -0.013 0.000 0.245 408 I C 2.549 178.666 176.117 0.001 0.000 1.100 408 I CA 1.441 62.786 61.300 0.075 0.000 1.374 408 I CB -2.175 35.721 38.000 -0.173 0.000 1.057 408 I HN 0.318 nan 8.210 nan 0.000 0.413 409 T N 0.649 115.254 114.554 0.084 0.000 2.665 409 T HA -0.230 4.113 4.350 -0.013 0.000 0.268 409 T C 1.896 176.666 174.700 0.118 0.000 1.035 409 T CA 1.759 63.922 62.100 0.107 0.000 1.151 409 T CB -0.382 68.507 68.868 0.035 0.000 0.862 409 T HN 0.173 nan 8.240 nan 0.000 0.438 410 Y N 0.881 121.320 120.300 0.233 0.000 2.145 410 Y HA -0.015 4.527 4.550 -0.012 0.000 0.286 410 Y C 2.210 178.191 175.900 0.135 0.000 1.145 410 Y CA 0.180 58.398 58.100 0.196 0.000 1.148 410 Y CB -1.157 37.425 38.460 0.203 0.000 0.981 410 Y HN 0.114 nan 8.280 nan 0.000 0.507 411 L N -0.394 120.976 121.223 0.245 0.000 1.989 411 L HA -0.181 4.152 4.340 -0.013 0.000 0.211 411 L C 2.246 179.110 176.870 -0.010 0.000 1.071 411 L CA 1.546 56.377 54.840 -0.016 0.000 0.749 411 L CB -1.089 40.824 42.059 -0.245 0.000 0.890 411 L HN 0.055 nan 8.230 nan 0.000 0.431 412 V N -0.427 119.497 119.914 0.017 0.000 2.332 412 V HA -0.381 3.732 4.120 -0.013 0.000 0.248 412 V C 2.686 178.851 176.094 0.119 0.000 1.055 412 V CA 2.311 64.633 62.300 0.037 0.000 1.038 412 V CB -0.547 31.330 31.823 0.090 0.000 0.651 412 V HN 0.536 nan 8.190 nan 0.000 0.450 413 M N -0.905 118.824 119.600 0.216 0.000 2.082 413 M HA -0.306 4.167 4.480 -0.013 0.000 0.258 413 M C 2.414 178.918 176.300 0.340 0.000 1.069 413 M CA 2.056 57.551 55.300 0.326 0.000 1.102 413 M CB -0.306 32.511 32.600 0.361 0.000 1.336 413 M HN 0.426 nan 8.290 nan 0.000 0.404 414 Q N -0.156 119.798 119.800 0.256 0.000 2.050 414 Q HA -0.171 4.162 4.340 -0.013 0.000 0.202 414 Q C 2.054 178.156 176.000 0.170 0.000 0.980 414 Q CA 1.407 57.367 55.803 0.262 0.000 0.840 414 Q CB -0.199 28.594 28.738 0.092 0.000 0.898 414 Q HN 0.538 nan 8.270 nan 0.000 0.424 415 L N 0.839 122.086 121.223 0.040 0.000 1.955 415 L HA -0.260 4.073 4.340 -0.013 0.000 0.213 415 L C 2.046 178.896 176.870 -0.033 0.000 1.072 415 L CA 1.277 56.088 54.840 -0.049 0.000 0.755 415 L CB -0.705 41.283 42.059 -0.119 0.000 0.888 415 L HN 0.227 nan 8.230 nan 0.000 0.432 416 D N -0.756 119.615 120.400 -0.047 0.000 2.133 416 D HA -0.214 4.419 4.640 -0.013 0.000 0.192 416 D C 1.920 178.073 176.300 -0.244 0.000 1.001 416 D CA 1.574 55.464 54.000 -0.184 0.000 0.844 416 D CB -0.258 40.357 40.800 -0.308 0.000 0.944 416 D HN 0.490 nan 8.370 nan 0.000 0.447 417 H N -1.775 117.344 119.070 0.082 0.000 2.586 417 H HA 0.198 4.746 4.556 -0.013 0.000 0.273 417 H C 1.245 176.631 175.328 0.096 0.000 0.997 417 H CA 1.123 57.220 56.048 0.083 0.000 1.177 417 H CB 0.918 30.736 29.762 0.092 0.000 1.471 417 H HN 0.265 nan 8.280 nan 0.000 0.538 418 T N -3.850 110.840 114.554 0.227 0.000 3.123 418 T HA 0.342 4.684 4.350 -0.013 0.000 0.266 418 T C 1.038 175.875 174.700 0.229 0.000 0.873 418 T CA 0.294 62.535 62.100 0.235 0.000 0.854 418 T CB 0.151 69.244 68.868 0.376 0.000 1.254 418 T HN 0.133 nan 8.240 nan 0.000 0.570 419 A N 2.391 125.270 122.820 0.097 0.000 2.806 419 A HA 0.589 4.901 4.320 -0.013 0.000 0.266 419 A C -1.248 176.125 177.584 -0.352 0.000 0.926 419 A CA -0.781 51.155 52.037 -0.168 0.000 1.068 419 A CB 0.385 19.251 19.000 -0.222 0.000 1.189 419 A HN 0.292 nan 8.150 nan 0.000 0.481 420 P HA -0.271 nan 4.420 nan 0.000 0.217 420 P C 1.045 178.286 177.300 -0.098 0.000 1.148 420 P CA 1.710 64.761 63.100 -0.081 0.000 0.834 420 P CB -0.476 31.226 31.700 0.002 0.000 0.783 421 H N -0.906 118.145 119.070 -0.031 0.000 2.568 421 H HA 0.066 4.615 4.556 -0.012 0.000 0.281 421 H C 1.614 176.901 175.328 -0.069 0.000 1.028 421 H CA 0.407 56.433 56.048 -0.037 0.000 1.199 421 H CB -1.031 28.725 29.762 -0.009 0.000 1.352 421 H HN 0.234 nan 8.280 nan 0.000 0.605 422 L N 0.030 121.002 121.223 -0.418 0.000 2.556 422 L HA 0.070 4.403 4.340 -0.013 0.000 0.226 422 L C 1.599 178.232 176.870 -0.395 0.000 1.089 422 L CA 0.109 54.714 54.840 -0.392 0.000 0.864 422 L CB -0.123 41.639 42.059 -0.496 0.000 1.067 422 L HN 0.151 nan 8.230 nan 0.000 0.477 423 N N 0.311 118.829 118.700 -0.303 0.000 2.137 423 N HA -0.230 4.503 4.740 -0.013 0.000 0.190 423 N C 1.898 177.271 175.510 -0.228 0.000 1.017 423 N CA 1.681 54.570 53.050 -0.269 0.000 0.859 423 N CB -0.127 38.252 38.487 -0.181 0.000 1.002 423 N HN 0.313 nan 8.380 nan 0.000 0.428 424 S N 0.423 116.022 115.700 -0.168 0.000 2.469 424 S HA -0.031 4.432 4.470 -0.013 0.000 0.238 424 S C 1.604 176.122 174.600 -0.136 0.000 0.998 424 S CA 0.605 58.733 58.200 -0.119 0.000 0.957 424 S CB -0.069 63.088 63.200 -0.071 0.000 0.764 424 S HN 0.267 nan 8.310 nan 0.000 0.514 425 R N 0.683 121.054 120.500 -0.214 0.000 2.236 425 R HA 0.273 4.605 4.340 -0.013 0.000 0.208 425 R C 0.189 176.360 176.300 -0.216 0.000 1.036 425 R CA 0.456 56.432 56.100 -0.208 0.000 1.001 425 R CB -0.338 29.781 30.300 -0.302 0.000 0.896 425 R HN 0.496 nan 8.270 nan 0.000 0.464 426 I N 1.351 121.761 120.570 -0.267 0.000 2.377 426 I HA 0.145 4.307 4.170 -0.013 0.000 0.282 426 I C 0.919 176.961 176.117 -0.126 0.000 1.091 426 I CA -0.016 61.164 61.300 -0.198 0.000 1.207 426 I CB 1.162 39.001 38.000 -0.268 0.000 1.429 426 I HN -0.162 nan 8.210 nan 0.000 0.491 427 K N 2.583 122.934 120.400 -0.082 0.000 2.329 427 K HA 0.168 4.480 4.320 -0.013 0.000 0.198 427 K C -0.295 176.281 176.600 -0.040 0.000 1.085 427 K CA 0.427 56.679 56.287 -0.058 0.000 0.961 427 K CB 0.502 32.975 32.500 -0.045 0.000 0.971 427 K HN 0.683 nan 8.250 nan 0.000 0.502 428 D N -2.314 118.068 120.400 -0.030 0.000 2.677 428 D HA 0.128 4.760 4.640 -0.013 0.000 0.298 428 D C 0.675 176.970 176.300 -0.008 0.000 1.250 428 D CA -0.707 53.283 54.000 -0.016 0.000 0.888 428 D CB 0.329 41.123 40.800 -0.009 0.000 1.397 428 D HN -0.367 nan 8.370 nan 0.000 0.461 429 M N -0.651 118.949 119.600 0.001 0.000 2.088 429 M HA -0.034 4.438 4.480 -0.013 0.000 0.256 429 M C -0.964 175.345 176.300 0.014 0.000 1.071 429 M CA 1.854 57.158 55.300 0.008 0.000 1.097 429 M CB -2.454 30.155 32.600 0.015 0.000 1.315 429 M HN 0.414 nan 8.290 nan 0.000 0.406 430 P HA -0.115 nan 4.420 nan 0.000 0.215 430 P C 1.760 179.076 177.300 0.028 0.000 1.157 430 P CA 2.329 65.443 63.100 0.024 0.000 0.868 430 P CB -0.229 31.484 31.700 0.021 0.000 0.788 431 S N -0.596 115.116 115.700 0.020 0.000 2.382 431 S HA -0.154 4.309 4.470 -0.013 0.000 0.228 431 S C 2.104 176.733 174.600 0.049 0.000 1.027 431 S CA 1.260 59.476 58.200 0.027 0.000 0.991 431 S CB -1.530 61.670 63.200 -0.002 0.000 0.823 431 S HN 0.105 nan 8.310 nan 0.000 0.469 432 A N 1.264 124.098 122.820 0.023 0.000 1.858 432 A HA -0.085 4.227 4.320 -0.013 0.000 0.216 432 A C 2.569 180.170 177.584 0.028 0.000 1.190 432 A CA 1.595 53.649 52.037 0.028 0.000 0.617 432 A CB -1.630 17.363 19.000 -0.011 0.000 0.827 432 A HN 0.704 nan 8.150 nan 0.000 0.443 433 C N -1.312 117.993 119.300 0.010 0.000 2.398 433 C HA -0.123 4.330 4.460 -0.013 0.000 0.276 433 C C 2.811 177.806 174.990 0.009 0.000 1.222 433 C CA 1.267 60.283 59.018 -0.003 0.000 1.746 433 C CB -1.431 26.328 27.740 0.032 0.000 2.039 433 C HN 0.642 nan 8.230 nan 0.000 0.470 434 R N -0.561 119.969 120.500 0.049 0.000 2.096 434 R HA -0.190 4.142 4.340 -0.013 0.000 0.240 434 R C 2.074 178.413 176.300 0.065 0.000 1.139 434 R CA 2.105 58.246 56.100 0.068 0.000 0.952 434 R CB -0.544 29.804 30.300 0.079 0.000 0.854 434 R HN 0.608 nan 8.270 nan 0.000 0.436 435 F N 0.743 120.663 119.950 -0.051 0.000 2.113 435 F HA -0.174 4.345 4.527 -0.013 0.000 0.297 435 F C 1.921 177.655 175.800 -0.109 0.000 1.103 435 F CA 1.170 59.128 58.000 -0.071 0.000 1.248 435 F CB -0.517 38.416 39.000 -0.112 0.000 0.999 435 F HN -0.024 nan 8.300 nan 0.000 0.475 436 L N 0.889 121.896 121.223 -0.360 0.000 2.046 436 L HA -0.214 4.118 4.340 -0.013 0.000 0.208 436 L C 2.268 178.813 176.870 -0.542 0.000 1.077 436 L CA 2.255 56.714 54.840 -0.635 0.000 0.747 436 L CB -1.299 40.350 42.059 -0.684 0.000 0.896 436 L HN 0.316 nan 8.230 nan 0.000 0.432 437 D N -1.410 118.841 120.400 -0.249 0.000 2.116 437 D HA -0.247 4.386 4.640 -0.013 0.000 0.193 437 D C 2.147 178.488 176.300 0.068 0.000 0.998 437 D CA 1.634 55.667 54.000 0.054 0.000 0.836 437 D CB 0.135 41.035 40.800 0.167 0.000 0.951 437 D HN 0.458 nan 8.370 nan 0.000 0.449 438 S N -1.258 114.411 115.700 -0.052 0.000 2.368 438 S HA -0.223 4.239 4.470 -0.013 0.000 0.225 438 S C 2.141 176.661 174.600 -0.134 0.000 1.030 438 S CA 1.208 59.390 58.200 -0.031 0.000 0.999 438 S CB -0.746 62.438 63.200 -0.027 0.000 0.844 438 S HN 0.501 nan 8.310 nan 0.000 0.459 439 Y N 0.343 120.362 120.300 -0.468 0.000 2.145 439 Y HA -0.130 4.412 4.550 -0.013 0.000 0.286 439 Y C 1.924 177.716 175.900 -0.180 0.000 1.145 439 Y CA 2.048 59.875 58.100 -0.455 0.000 1.148 439 Y CB -0.430 37.572 38.460 -0.763 0.000 0.981 439 Y HN 0.351 nan 8.280 nan 0.000 0.507 440 W N 1.115 122.225 121.300 -0.316 0.000 2.525 440 W HA -0.093 4.559 4.660 -0.013 0.000 0.259 440 W C 1.624 178.019 176.519 -0.207 0.000 1.253 440 W CA 0.996 58.123 57.345 -0.363 0.000 1.262 440 W CB -0.734 28.487 29.460 -0.399 0.000 1.122 440 W HN 0.350 nan 8.180 nan 0.000 0.607 441 Q N -0.605 119.176 119.800 -0.031 0.000 2.322 441 Q HA 0.213 4.546 4.340 -0.013 0.000 0.203 441 Q C 1.685 177.266 176.000 -0.697 0.000 0.923 441 Q CA 0.564 56.196 55.803 -0.285 0.000 0.949 441 Q CB -0.047 28.381 28.738 -0.517 0.000 1.039 441 Q HN 0.284 nan 8.270 nan 0.000 0.496 442 G N 0.845 109.166 108.800 -0.798 0.000 2.184 442 G HA2 -0.326 3.626 3.960 -0.013 0.000 0.264 442 G HA3 -0.326 3.626 3.960 -0.013 0.000 0.264 442 G C 0.161 174.713 174.900 -0.580 0.000 0.975 442 G CA 0.360 44.637 45.100 -1.372 0.000 0.642 442 G HN 0.652 nan 8.290 nan 0.000 0.536 443 H N 1.070 119.940 119.070 -0.332 0.000 2.787 443 H HA 0.305 4.854 4.556 -0.012 0.000 0.302 443 H C 0.555 175.821 175.328 -0.103 0.000 1.098 443 H CA 0.345 56.292 56.048 -0.167 0.000 1.192 443 H CB 0.217 29.923 29.762 -0.093 0.000 1.316 443 H HN 0.415 nan 8.280 nan 0.000 0.590 444 E N 0.004 120.196 120.200 -0.013 0.000 2.446 444 E HA 0.013 4.355 4.350 -0.013 0.000 0.276 444 E C 0.384 176.997 176.600 0.023 0.000 0.969 444 E CA -0.509 55.919 56.400 0.047 0.000 0.800 444 E CB 1.425 31.186 29.700 0.103 0.000 1.341 444 E HN 0.282 nan 8.360 nan 0.000 0.460 445 E N 0.759 121.005 120.200 0.077 0.000 2.268 445 E HA -0.077 4.266 4.350 -0.013 0.000 0.195 445 E C 0.544 177.132 176.600 -0.020 0.000 0.995 445 E CA 0.666 57.113 56.400 0.077 0.000 0.836 445 E CB 0.049 29.849 29.700 0.166 0.000 0.763 445 E HN 0.396 nan 8.360 nan 0.000 0.491 446 I N -1.252 119.285 120.570 -0.055 0.000 2.441 446 I HA 0.536 4.698 4.170 -0.013 0.000 0.295 446 I C -0.487 175.497 176.117 -0.222 0.000 0.994 446 I CA -1.053 60.076 61.300 -0.285 0.000 1.144 446 I CB 1.850 39.724 38.000 -0.209 0.000 1.314 446 I HN -0.217 nan 8.210 nan 0.000 0.445 447 R N 4.213 124.383 120.500 -0.551 0.000 2.799 447 R HA 0.624 4.957 4.340 -0.013 0.000 0.270 447 R C -1.521 174.486 176.300 -0.489 0.000 1.010 447 R CA -0.969 54.837 56.100 -0.490 0.000 0.916 447 R CB 2.487 32.607 30.300 -0.301 0.000 1.228 447 R HN 0.852 nan 8.270 nan 0.000 0.469 448 Q N 0.987 120.645 119.800 -0.237 0.000 2.462 448 Q HA 0.675 5.007 4.340 -0.013 0.000 0.285 448 Q C -1.293 174.716 176.000 0.015 0.000 1.035 448 Q CA -1.031 54.702 55.803 -0.117 0.000 0.799 448 Q CB 2.295 31.019 28.738 -0.023 0.000 1.452 448 Q HN 0.658 nan 8.270 nan 0.000 0.404 449 I N -0.584 119.944 120.570 -0.070 0.000 2.533 449 I HA 0.858 5.021 4.170 -0.013 0.000 0.290 449 I C -0.931 175.054 176.117 -0.221 0.000 1.056 449 I CA -0.600 60.604 61.300 -0.161 0.000 1.057 449 I CB 2.224 39.953 38.000 -0.451 0.000 1.240 449 I HN 0.884 nan 8.210 nan 0.000 0.423 450 S N 3.928 119.795 115.700 0.277 0.000 2.615 450 S HA 0.668 5.131 4.470 -0.013 0.000 0.269 450 S C -1.189 173.816 174.600 0.675 0.000 1.161 450 S CA -0.933 57.568 58.200 0.501 0.000 0.817 450 S CB 2.331 65.800 63.200 0.449 0.000 1.131 450 S HN 0.859 nan 8.310 nan 0.000 0.467 451 K N 1.261 121.959 120.400 0.497 0.000 2.731 451 K HA 0.553 4.865 4.320 -0.013 0.000 0.257 451 K C -0.096 176.638 176.600 0.222 0.000 1.032 451 K CA 0.013 56.498 56.287 0.329 0.000 0.983 451 K CB 0.849 33.465 32.500 0.194 0.000 1.248 451 K HN 0.912 nan 8.250 nan 0.000 0.484 452 S N 1.468 117.279 115.700 0.186 0.000 4.054 452 S HA -0.277 4.185 4.470 -0.013 0.000 0.618 452 S C 0.624 175.286 174.600 0.104 0.000 2.026 452 S CA 1.729 59.955 58.200 0.043 0.000 4.205 452 S CB -0.993 62.142 63.200 -0.109 0.000 0.233 452 S HN 0.973 nan 8.310 nan 0.000 0.612 453 D N 2.044 122.417 120.400 -0.046 0.000 2.363 453 D HA 0.159 4.792 4.640 -0.013 0.000 0.226 453 D C 0.068 176.512 176.300 0.240 0.000 1.020 453 D CA 0.469 54.545 54.000 0.126 0.000 0.892 453 D CB -0.475 40.362 40.800 0.063 0.000 0.900 453 D HN 0.374 nan 8.370 nan 0.000 0.531 454 D N 0.322 120.859 120.400 0.228 0.000 2.233 454 D HA 0.588 5.220 4.640 -0.013 0.000 0.240 454 D C -0.998 175.539 176.300 0.395 0.000 1.074 454 D CA -0.523 53.639 54.000 0.270 0.000 0.838 454 D CB 1.445 42.340 40.800 0.158 0.000 1.124 454 D HN 0.157 nan 8.370 nan 0.000 0.475 455 A N 2.952 125.900 122.820 0.213 0.000 2.604 455 A HA 0.664 4.976 4.320 -0.013 0.000 0.295 455 A C -1.529 175.907 177.584 -0.247 0.000 1.067 455 A CA -0.712 51.254 52.037 -0.119 0.000 0.683 455 A CB 1.600 20.313 19.000 -0.479 0.000 1.281 455 A HN 0.426 nan 8.150 nan 0.000 0.407 456 M N 1.594 120.951 119.600 -0.405 0.000 2.134 456 M HA 0.592 5.064 4.480 -0.013 0.000 0.310 456 M C -1.659 174.571 176.300 -0.116 0.000 0.966 456 M CA -1.087 54.109 55.300 -0.172 0.000 0.922 456 M CB 1.064 33.499 32.600 -0.274 0.000 1.537 456 M HN 0.539 nan 8.290 nan 0.000 0.424 457 L N 3.344 124.463 121.223 -0.173 0.000 2.282 457 L HA 0.871 5.203 4.340 -0.013 0.000 0.288 457 L C 0.347 176.779 176.870 -0.731 0.000 1.033 457 L CA -0.136 54.446 54.840 -0.430 0.000 0.807 457 L CB 1.356 43.236 42.059 -0.299 0.000 1.209 457 L HN 0.783 nan 8.230 nan 0.000 0.423 458 G N 2.925 110.839 108.800 -1.476 0.000 2.481 458 G HA2 0.594 4.547 3.960 -0.013 0.000 0.315 458 G HA3 0.594 4.547 3.960 -0.013 0.000 0.315 458 G C -1.824 172.245 174.900 -1.384 0.000 1.231 458 G CA -0.403 43.624 45.100 -1.787 0.000 0.968 458 G HN 0.411 nan 8.290 nan 0.000 0.482 459 W N 1.425 122.402 121.300 -0.539 0.000 2.739 459 W HA 0.389 5.042 4.660 -0.012 0.000 0.331 459 W C 0.537 176.984 176.519 -0.121 0.000 1.049 459 W CA -0.641 56.555 57.345 -0.248 0.000 1.234 459 W CB 2.337 31.725 29.460 -0.120 0.000 1.404 459 W HN 0.816 nan 8.180 nan 0.000 0.477 460 T N -0.347 114.278 114.554 0.117 0.000 2.924 460 T HA 0.368 4.711 4.350 -0.013 0.000 0.301 460 T C 0.373 175.182 174.700 0.181 0.000 1.120 460 T CA -0.648 61.546 62.100 0.158 0.000 0.940 460 T CB 0.990 69.930 68.868 0.120 0.000 1.591 460 T HN 0.031 nan 8.240 nan 0.000 0.578 461 K N 0.921 121.409 120.400 0.148 0.000 2.270 461 K HA 0.631 4.943 4.320 -0.013 0.000 0.276 461 K C 0.552 177.221 176.600 0.116 0.000 1.023 461 K CA 0.317 56.679 56.287 0.126 0.000 0.955 461 K CB 0.593 33.151 32.500 0.097 0.000 0.975 461 K HN 1.103 nan 8.250 nan 0.000 0.471 462 G N 1.089 109.951 108.800 0.105 0.000 2.369 462 G HA2 -0.053 3.900 3.960 -0.013 0.000 0.293 462 G HA3 -0.053 3.900 3.960 -0.013 0.000 0.293 462 G C 0.369 175.309 174.900 0.068 0.000 1.301 462 G CA -0.840 44.310 45.100 0.084 0.000 0.913 462 G HN 0.463 nan 8.290 nan 0.000 0.540 463 R N -0.270 120.231 120.500 0.002 0.000 2.096 463 R HA -0.116 4.217 4.340 -0.013 0.000 0.240 463 R C 2.995 179.337 176.300 0.070 0.000 1.139 463 R CA 2.233 58.285 56.100 -0.080 0.000 0.952 463 R CB -0.489 29.551 30.300 -0.433 0.000 0.854 463 R HN 0.673 nan 8.270 nan 0.000 0.436 464 A N 1.119 124.095 122.820 0.260 0.000 2.067 464 A HA -0.117 4.196 4.320 -0.013 0.000 0.219 464 A C 2.029 179.762 177.584 0.249 0.000 1.158 464 A CA 0.748 53.018 52.037 0.389 0.000 0.661 464 A CB -0.336 18.980 19.000 0.526 0.000 0.801 464 A HN 0.255 nan 8.150 nan 0.000 0.452 465 L N -0.235 121.112 121.223 0.207 0.000 2.127 465 L HA -0.109 4.223 4.340 -0.013 0.000 0.211 465 L C 2.280 179.166 176.870 0.028 0.000 1.089 465 L CA 2.148 57.048 54.840 0.099 0.000 0.757 465 L CB -0.667 41.491 42.059 0.165 0.000 0.899 465 L HN 0.182 nan 8.230 nan 0.000 0.434 466 V N -0.186 119.758 119.914 0.050 0.000 2.548 466 V HA -0.069 4.044 4.120 -0.013 0.000 0.249 466 V C 2.378 178.469 176.094 -0.005 0.000 1.055 466 V CA 1.643 63.965 62.300 0.036 0.000 1.065 466 V CB -0.696 31.136 31.823 0.015 0.000 0.681 466 V HN 0.598 nan 8.190 nan 0.000 0.462 467 G N -0.283 108.507 108.800 -0.016 0.000 2.418 467 G HA2 -0.154 3.799 3.960 -0.013 0.000 0.217 467 G HA3 -0.154 3.799 3.960 -0.013 0.000 0.217 467 G C 1.599 176.377 174.900 -0.202 0.000 1.158 467 G CA 0.801 45.887 45.100 -0.023 0.000 0.771 467 G HN 0.661 nan 8.290 nan 0.000 0.545 468 G N -0.157 108.292 108.800 -0.584 0.000 2.440 468 G HA2 -0.255 3.698 3.960 -0.013 0.000 0.218 468 G HA3 -0.255 3.698 3.960 -0.013 0.000 0.218 468 G C 1.642 176.065 174.900 -0.795 0.000 1.154 468 G CA 1.104 45.361 45.100 -1.405 0.000 0.767 468 G HN 0.521 nan 8.290 nan 0.000 0.552 469 H N -0.053 118.772 119.070 -0.408 0.000 2.389 469 H HA 0.037 4.586 4.556 -0.012 0.000 0.299 469 H C 2.758 178.015 175.328 -0.119 0.000 1.081 469 H CA 1.201 57.134 56.048 -0.192 0.000 1.345 469 H CB 0.061 29.732 29.762 -0.152 0.000 1.393 469 H HN 0.284 nan 8.280 nan 0.000 0.520 470 R N 0.369 120.865 120.500 -0.007 0.000 2.081 470 R HA -0.131 4.201 4.340 -0.013 0.000 0.235 470 R C 2.344 178.639 176.300 -0.008 0.000 1.131 470 R CA 0.904 57.006 56.100 0.003 0.000 0.960 470 R CB -0.240 30.068 30.300 0.014 0.000 0.856 470 R HN 0.117 nan 8.270 nan 0.000 0.436 471 L N 0.381 121.570 121.223 -0.056 0.000 1.989 471 L HA -0.208 4.125 4.340 -0.013 0.000 0.211 471 L C 1.990 178.885 176.870 0.042 0.000 1.071 471 L CA 1.783 56.587 54.840 -0.061 0.000 0.749 471 L CB -1.012 40.998 42.059 -0.082 0.000 0.890 471 L HN 0.120 nan 8.230 nan 0.000 0.431 472 F N 0.745 120.598 119.950 -0.161 0.000 2.161 472 F HA -0.220 4.300 4.527 -0.012 0.000 0.300 472 F C 2.491 178.277 175.800 -0.023 0.000 1.089 472 F CA 1.901 59.848 58.000 -0.088 0.000 1.282 472 F CB -0.584 38.324 39.000 -0.153 0.000 1.010 472 F HN 0.363 nan 8.300 nan 0.000 0.485 473 E N 0.075 120.336 120.200 0.101 0.000 2.107 473 E HA -0.204 4.138 4.350 -0.013 0.000 0.191 473 E C 2.399 178.999 176.600 -0.001 0.000 0.982 473 E CA 1.274 57.681 56.400 0.012 0.000 0.809 473 E CB -0.530 29.178 29.700 0.013 0.000 0.756 473 E HN 0.470 nan 8.360 nan 0.000 0.459 474 M N -0.307 119.303 119.600 0.016 0.000 2.080 474 M HA -0.178 4.295 4.480 -0.013 0.000 0.260 474 M C 1.804 178.123 176.300 0.031 0.000 1.068 474 M CA 1.464 56.765 55.300 0.002 0.000 1.109 474 M CB -0.090 32.480 32.600 -0.050 0.000 1.342 474 M HN 0.207 nan 8.290 nan 0.000 0.405 475 L N 0.068 121.339 121.223 0.080 0.000 2.017 475 L HA -0.259 4.074 4.340 -0.013 0.000 0.208 475 L C 2.615 179.536 176.870 0.086 0.000 1.073 475 L CA 1.733 56.668 54.840 0.159 0.000 0.745 475 L CB -0.872 41.352 42.059 0.274 0.000 0.894 475 L HN 0.365 nan 8.230 nan 0.000 0.432 476 K N 0.588 120.904 120.400 -0.140 0.000 2.032 476 K HA -0.238 4.074 4.320 -0.013 0.000 0.209 476 K C 1.928 178.468 176.600 -0.099 0.000 1.048 476 K CA 1.817 57.902 56.287 -0.337 0.000 0.927 476 K CB -0.054 32.081 32.500 -0.609 0.000 0.712 476 K HN 0.327 nan 8.250 nan 0.000 0.441 477 E N -0.604 119.557 120.200 -0.065 0.000 2.204 477 E HA -0.101 4.241 4.350 -0.013 0.000 0.195 477 E C 0.826 177.445 176.600 0.031 0.000 0.990 477 E CA 0.608 56.994 56.400 -0.022 0.000 0.821 477 E CB -0.210 29.480 29.700 -0.017 0.000 0.750 477 E HN 0.631 nan 8.360 nan 0.000 0.477 478 G N 1.480 110.322 108.800 0.070 0.000 2.390 478 G HA2 -0.344 3.609 3.960 -0.013 0.000 0.299 478 G HA3 -0.344 3.609 3.960 -0.013 0.000 0.299 478 G C 0.533 175.473 174.900 0.066 0.000 1.002 478 G CA 1.205 46.366 45.100 0.102 0.000 0.979 478 G HN 0.247 nan 8.290 nan 0.000 0.513 479 K N -1.602 118.826 120.400 0.047 0.000 2.373 479 K HA 0.435 4.748 4.320 -0.013 0.000 0.200 479 K C 0.332 176.954 176.600 0.037 0.000 1.054 479 K CA 0.290 56.599 56.287 0.037 0.000 1.065 479 K CB 1.476 33.991 32.500 0.026 0.000 0.886 479 K HN 0.285 nan 8.250 nan 0.000 0.546 480 V N 1.813 121.752 119.914 0.041 0.000 2.612 480 V HA 0.182 4.294 4.120 -0.013 0.000 0.301 480 V C -1.059 175.062 176.094 0.045 0.000 1.059 480 V CA -1.372 60.952 62.300 0.040 0.000 0.886 480 V CB 1.629 33.476 31.823 0.041 0.000 1.007 480 V HN 0.144 nan 8.190 nan 0.000 0.426 481 N N 6.975 125.702 118.700 0.044 0.000 2.452 481 N HA 0.194 4.927 4.740 -0.013 0.000 0.266 481 N C -1.090 174.459 175.510 0.066 0.000 1.175 481 N CA -1.527 51.552 53.050 0.048 0.000 0.945 481 N CB 1.666 40.170 38.487 0.027 0.000 1.063 481 N HN 0.420 nan 8.380 nan 0.000 0.472 482 P HA -0.021 nan 4.420 nan 0.000 0.234 482 P C -0.175 177.267 177.300 0.236 0.000 1.167 482 P CA 0.449 63.602 63.100 0.089 0.000 0.763 482 P CB 0.457 32.138 31.700 -0.032 0.000 0.835 483 S N 0.272 116.051 115.700 0.131 0.000 2.569 483 S HA 0.523 4.985 4.470 -0.013 0.000 0.280 483 S C -2.331 172.243 174.600 -0.044 0.000 1.111 483 S CA -1.622 56.626 58.200 0.079 0.000 0.887 483 S CB 2.011 65.293 63.200 0.137 0.000 1.095 483 S HN -0.194 nan 8.310 nan 0.000 0.476 484 P HA 0.150 nan 4.420 nan 0.000 0.245 484 P C 0.306 177.404 177.300 -0.336 0.000 1.199 484 P CA 0.408 63.293 63.100 -0.358 0.000 0.807 484 P CB 0.072 31.424 31.700 -0.580 0.000 1.002 485 Y N -0.691 119.685 120.300 0.127 0.000 2.389 485 Y HA 0.268 4.811 4.550 -0.012 0.000 0.292 485 Y C 1.595 177.525 175.900 0.050 0.000 1.117 485 Y CA 0.561 58.757 58.100 0.160 0.000 1.195 485 Y CB -0.044 38.566 38.460 0.250 0.000 1.076 485 Y HN -0.136 nan 8.280 nan 0.000 0.548 486 M N -0.396 119.279 119.600 0.126 0.000 2.520 486 M HA 0.248 4.721 4.480 -0.013 0.000 0.283 486 M C -0.960 175.286 176.300 -0.091 0.000 1.237 486 M CA -1.113 54.166 55.300 -0.036 0.000 0.885 486 M CB 2.196 34.822 32.600 0.043 0.000 1.727 486 M HN -0.187 nan 8.290 nan 0.000 0.468 487 K N 2.239 122.487 120.400 -0.252 0.000 2.338 487 K HA 0.510 4.823 4.320 -0.013 0.000 0.290 487 K C -0.731 175.867 176.600 -0.003 0.000 1.069 487 K CA 0.126 56.324 56.287 -0.149 0.000 0.941 487 K CB 0.281 32.636 32.500 -0.242 0.000 1.023 487 K HN 0.519 nan 8.250 nan 0.000 0.477 488 I N 1.215 121.823 120.570 0.063 0.000 2.530 488 I HA 0.225 4.388 4.170 -0.013 0.000 0.297 488 I C 0.255 176.462 176.117 0.149 0.000 1.011 488 I CA -0.411 60.975 61.300 0.142 0.000 1.107 488 I CB 2.057 40.179 38.000 0.203 0.000 1.285 488 I HN 0.511 nan 8.210 nan 0.000 0.436 489 S N 3.481 119.286 115.700 0.176 0.000 2.794 489 S HA 0.615 5.077 4.470 -0.013 0.000 0.299 489 S C -1.588 173.160 174.600 0.247 0.000 1.179 489 S CA -0.492 57.823 58.200 0.192 0.000 0.838 489 S CB 1.466 64.726 63.200 0.101 0.000 1.206 489 S HN 0.425 nan 8.310 nan 0.000 0.523 490 Y N 0.837 121.232 120.300 0.159 0.000 2.387 490 Y HA 0.690 5.233 4.550 -0.012 0.000 0.336 490 Y C -0.183 175.824 175.900 0.179 0.000 1.067 490 Y CA -1.013 57.190 58.100 0.172 0.000 1.114 490 Y CB 0.523 39.126 38.460 0.238 0.000 1.208 490 Y HN 0.695 nan 8.280 nan 0.000 0.458 491 E N 3.180 123.417 120.200 0.061 0.000 2.324 491 E HA -0.037 4.305 4.350 -0.013 0.000 0.271 491 E C -0.740 175.871 176.600 0.018 0.000 1.028 491 E CA -0.334 56.071 56.400 0.008 0.000 0.890 491 E CB 0.300 30.064 29.700 0.107 0.000 1.004 491 E HN 0.854 nan 8.360 nan 0.000 0.431 492 H N 4.426 123.396 119.070 -0.167 0.000 3.118 492 H HA 0.219 4.768 4.556 -0.013 0.000 0.266 492 H C -0.184 175.191 175.328 0.078 0.000 1.465 492 H CA 0.993 57.022 56.048 -0.031 0.000 1.460 492 H CB -0.360 29.341 29.762 -0.101 0.000 1.661 492 H HN 0.840 nan 8.280 nan 0.000 0.516 493 G N 3.573 112.364 108.800 -0.015 0.000 3.002 493 G HA2 -0.168 3.784 3.960 -0.013 0.000 0.224 493 G HA3 -0.168 3.784 3.960 -0.013 0.000 0.224 493 G C 0.407 175.380 174.900 0.121 0.000 1.013 493 G CA -0.413 44.704 45.100 0.029 0.000 1.200 493 G HN 0.886 nan 8.290 nan 0.000 0.589 494 G N -0.263 108.653 108.800 0.193 0.000 2.432 494 G HA2 0.773 4.726 3.960 -0.013 0.000 0.239 494 G HA3 0.773 4.726 3.960 -0.013 0.000 0.239 494 G C 0.438 175.472 174.900 0.223 0.000 1.291 494 G CA 0.790 46.023 45.100 0.223 0.000 0.863 494 G HN 2.020 nan 8.290 nan 0.000 0.560 495 A N 1.179 124.133 122.820 0.222 0.000 2.610 495 A HA 0.740 5.052 4.320 -0.013 0.000 0.291 495 A C -1.807 175.934 177.584 0.263 0.000 1.086 495 A CA -0.641 51.541 52.037 0.241 0.000 0.677 495 A CB 1.615 20.704 19.000 0.149 0.000 1.278 495 A HN 1.347 nan 8.150 nan 0.000 0.414 496 F N 1.222 121.142 119.950 -0.050 0.000 2.557 496 F HA 0.590 5.109 4.527 -0.012 0.000 0.316 496 F C -0.029 175.601 175.800 -0.284 0.000 1.141 496 F CA -0.976 56.919 58.000 -0.175 0.000 0.922 496 F CB 1.489 40.349 39.000 -0.232 0.000 1.194 496 F HN 0.539 nan 8.300 nan 0.000 0.443 497 L N 5.924 126.699 121.223 -0.747 0.000 3.829 497 L HA -0.138 4.194 4.340 -0.013 0.000 0.440 497 L C 1.137 177.740 176.870 -0.445 0.000 1.192 497 L CA 1.665 56.067 54.840 -0.730 0.000 0.848 497 L CB -1.502 39.857 42.059 -1.168 0.000 1.744 497 L HN 1.329 nan 8.230 nan 0.000 0.920 498 G N -2.138 106.516 108.800 -0.243 0.000 2.241 498 G HA2 -0.233 3.720 3.960 -0.013 0.000 0.244 498 G HA3 -0.233 3.720 3.960 -0.013 0.000 0.244 498 G C 0.192 175.030 174.900 -0.103 0.000 0.998 498 G CA 0.213 45.229 45.100 -0.141 0.000 0.621 498 G HN 0.495 nan 8.290 nan 0.000 0.519 499 D N 0.777 121.073 120.400 -0.173 0.000 2.193 499 D HA 0.526 5.159 4.640 -0.013 0.000 0.244 499 D C 0.571 176.916 176.300 0.075 0.000 1.064 499 D CA -0.368 53.581 54.000 -0.086 0.000 0.845 499 D CB 1.661 42.332 40.800 -0.215 0.000 1.148 499 D HN 0.277 nan 8.370 nan 0.000 0.464 500 I N 1.856 122.526 120.570 0.167 0.000 2.529 500 I HA -0.019 4.143 4.170 -0.013 0.000 0.284 500 I C 0.173 176.489 176.117 0.331 0.000 1.082 500 I CA -0.619 60.811 61.300 0.216 0.000 1.406 500 I CB 0.938 39.023 38.000 0.142 0.000 1.405 500 I HN 0.082 nan 8.210 nan 0.000 0.548 501 L N 8.048 129.435 121.223 0.273 0.000 2.283 501 L HA 0.268 4.601 4.340 -0.013 0.000 0.287 501 L C -0.645 176.136 176.870 -0.148 0.000 1.073 501 L CA -0.166 54.622 54.840 -0.087 0.000 0.822 501 L CB 0.742 42.658 42.059 -0.238 0.000 1.186 501 L HN 0.385 nan 8.230 nan 0.000 0.436 502 L N 6.656 127.771 121.223 -0.179 0.000 2.259 502 L HA 0.405 4.738 4.340 -0.013 0.000 0.288 502 L C -0.963 175.846 176.870 -0.103 0.000 1.051 502 L CA 0.070 54.877 54.840 -0.056 0.000 0.824 502 L CB 0.133 42.197 42.059 0.007 0.000 1.206 502 L HN 0.454 nan 8.230 nan 0.000 0.429 503 Y N 2.640 122.979 120.300 0.064 0.000 2.307 503 Y HA 0.371 4.913 4.550 -0.013 0.000 0.324 503 Y C 0.573 176.538 175.900 0.109 0.000 1.238 503 Y CA -0.334 57.807 58.100 0.069 0.000 1.280 503 Y CB 0.981 39.502 38.460 0.102 0.000 1.248 503 Y HN 0.751 nan 8.280 nan 0.000 0.508 504 D N -1.657 118.889 120.400 0.243 0.000 2.570 504 D HA 0.186 4.818 4.640 -0.013 0.000 0.266 504 D C 1.267 177.633 176.300 0.110 0.000 1.182 504 D CA -0.332 53.766 54.000 0.163 0.000 1.088 504 D CB -0.007 40.855 40.800 0.102 0.000 1.186 504 D HN 0.328 nan 8.370 nan 0.000 0.618 505 S N -1.505 114.228 115.700 0.056 0.000 2.370 505 S HA -0.157 4.306 4.470 -0.013 0.000 0.226 505 S C 1.898 176.495 174.600 -0.004 0.000 1.033 505 S CA 0.948 59.147 58.200 -0.001 0.000 1.011 505 S CB -0.397 62.801 63.200 -0.002 0.000 0.852 505 S HN 0.325 nan 8.310 nan 0.000 0.457 506 R N 0.679 121.195 120.500 0.027 0.000 2.096 506 R HA 0.013 4.345 4.340 -0.013 0.000 0.240 506 R C 0.397 176.709 176.300 0.020 0.000 1.139 506 R CA 0.918 57.034 56.100 0.027 0.000 0.952 506 R CB -0.654 29.677 30.300 0.053 0.000 0.854 506 R HN 0.373 nan 8.270 nan 0.000 0.436 507 R N 0.890 121.430 120.500 0.065 0.000 3.223 507 R HA -0.114 4.219 4.340 -0.013 0.000 0.262 507 R C -1.012 175.321 176.300 0.055 0.000 1.052 507 R CA 0.673 56.779 56.100 0.009 0.000 0.700 507 R CB -2.099 28.119 30.300 -0.137 0.000 1.217 507 R HN 0.561 nan 8.270 nan 0.000 0.408 508 E N -1.022 119.340 120.200 0.271 0.000 2.331 508 E HA 0.269 4.611 4.350 -0.013 0.000 0.275 508 E C -2.163 174.636 176.600 0.331 0.000 0.895 508 E CA -2.230 54.338 56.400 0.280 0.000 0.753 508 E CB 1.828 31.624 29.700 0.160 0.000 1.216 508 E HN -0.270 nan 8.360 nan 0.000 0.434 509 P HA -0.256 nan 4.420 nan 0.000 0.218 509 P C 1.314 178.604 177.300 -0.017 0.000 1.152 509 P CA 1.827 64.992 63.100 0.108 0.000 0.857 509 P CB 0.127 31.947 31.700 0.201 0.000 0.787 510 G N -0.597 108.232 108.800 0.049 0.000 2.408 510 G HA2 -0.205 3.747 3.960 -0.013 0.000 0.217 510 G HA3 -0.205 3.747 3.960 -0.013 0.000 0.217 510 G C 1.354 176.245 174.900 -0.015 0.000 1.150 510 G CA 1.091 46.198 45.100 0.011 0.000 0.776 510 G HN 0.441 nan 8.290 nan 0.000 0.542 511 S N -0.377 115.331 115.700 0.013 0.000 2.597 511 S HA 0.694 5.156 4.470 -0.013 0.000 0.224 511 S C 0.781 175.364 174.600 -0.028 0.000 0.955 511 S CA 0.190 58.394 58.200 0.006 0.000 0.933 511 S CB 0.404 63.629 63.200 0.043 0.000 0.788 511 S HN 0.545 nan 8.310 nan 0.000 0.488 512 A N 1.797 124.547 122.820 -0.116 0.000 2.269 512 A HA 0.908 5.220 4.320 -0.013 0.000 0.327 512 A C -0.144 177.254 177.584 -0.309 0.000 1.112 512 A CA -1.113 50.767 52.037 -0.262 0.000 0.865 512 A CB 0.616 19.254 19.000 -0.603 0.000 1.227 512 A HN 0.827 nan 8.150 nan 0.000 0.498 513 I N -3.750 116.618 120.570 -0.338 0.000 3.006 513 I HA 0.576 4.738 4.170 -0.013 0.000 0.306 513 I C -1.460 174.489 176.117 -0.281 0.000 1.250 513 I CA -0.798 60.336 61.300 -0.276 0.000 0.996 513 I CB 2.160 40.095 38.000 -0.109 0.000 1.261 513 I HN 0.491 nan 8.210 nan 0.000 0.442 514 F N 4.018 123.909 119.950 -0.099 0.000 2.350 514 F HA 0.522 5.042 4.527 -0.012 0.000 0.365 514 F C 0.393 176.163 175.800 -0.050 0.000 1.122 514 F CA -0.950 57.004 58.000 -0.077 0.000 1.139 514 F CB 1.725 40.678 39.000 -0.078 0.000 1.220 514 F HN 0.391 nan 8.300 nan 0.000 0.499 515 V N 1.652 121.681 119.914 0.191 0.000 2.713 515 V HA 0.835 4.948 4.120 -0.013 0.000 0.307 515 V C 0.404 176.561 176.094 0.104 0.000 1.052 515 V CA -0.771 61.597 62.300 0.112 0.000 0.967 515 V CB 1.159 33.039 31.823 0.094 0.000 1.019 515 V HN 0.675 nan 8.190 nan 0.000 0.459 516 G N 1.596 110.438 108.800 0.070 0.000 2.544 516 G HA2 0.134 4.086 3.960 -0.013 0.000 0.242 516 G HA3 0.134 4.086 3.960 -0.013 0.000 0.242 516 G C 0.018 175.047 174.900 0.215 0.000 1.247 516 G CA -0.344 44.796 45.100 0.067 0.000 0.840 516 G HN 0.974 nan 8.290 nan 0.000 0.578 517 N N 1.716 120.555 118.700 0.232 0.000 2.402 517 N HA 0.045 4.778 4.740 -0.013 0.000 0.252 517 N C 1.378 177.061 175.510 0.288 0.000 1.118 517 N CA -0.464 52.716 53.050 0.217 0.000 0.945 517 N CB 0.702 39.276 38.487 0.145 0.000 1.147 517 N HN 0.401 nan 8.380 nan 0.000 0.495 518 I N 3.140 123.837 120.570 0.212 0.000 2.567 518 I HA -0.247 3.916 4.170 -0.013 0.000 0.257 518 I C 1.459 177.606 176.117 0.048 0.000 1.184 518 I CA 0.698 62.055 61.300 0.095 0.000 1.451 518 I CB 0.013 38.070 38.000 0.094 0.000 1.089 518 I HN 0.577 nan 8.210 nan 0.000 0.441 519 N N 0.219 118.985 118.700 0.110 0.000 2.289 519 N HA -0.157 4.576 4.740 -0.013 0.000 0.184 519 N C 1.831 177.386 175.510 0.075 0.000 1.016 519 N CA 1.468 54.583 53.050 0.107 0.000 0.872 519 N CB 0.123 38.603 38.487 -0.012 0.000 0.973 519 N HN 0.140 nan 8.380 nan 0.000 0.433 520 S N -0.081 115.670 115.700 0.086 0.000 2.368 520 S HA -0.117 4.345 4.470 -0.013 0.000 0.224 520 S C 1.840 176.460 174.600 0.033 0.000 1.029 520 S CA 0.923 59.194 58.200 0.118 0.000 0.988 520 S CB -0.272 63.077 63.200 0.249 0.000 0.838 520 S HN 0.423 nan 8.310 nan 0.000 0.462 521 M N 1.193 120.631 119.600 -0.271 0.000 2.065 521 M HA -0.122 4.351 4.480 -0.013 0.000 0.259 521 M C 1.874 178.044 176.300 -0.218 0.000 1.069 521 M CA 1.550 56.500 55.300 -0.583 0.000 1.110 521 M CB -0.421 31.428 32.600 -1.251 0.000 1.328 521 M HN 0.287 nan 8.290 nan 0.000 0.405 522 L N 0.317 121.483 121.223 -0.096 0.000 2.013 522 L HA -0.327 4.006 4.340 -0.013 0.000 0.212 522 L C 2.201 179.132 176.870 0.102 0.000 1.073 522 L CA 1.422 56.302 54.840 0.067 0.000 0.753 522 L CB -1.242 40.951 42.059 0.224 0.000 0.890 522 L HN 0.414 nan 8.230 nan 0.000 0.432 523 N N 0.384 119.145 118.700 0.102 0.000 2.043 523 N HA -0.190 4.543 4.740 -0.013 0.000 0.193 523 N C 1.555 177.126 175.510 0.101 0.000 1.037 523 N CA 1.627 54.750 53.050 0.122 0.000 0.851 523 N CB -0.717 37.825 38.487 0.091 0.000 1.027 523 N HN 0.455 nan 8.380 nan 0.000 0.422 524 N N 0.668 119.411 118.700 0.072 0.000 2.104 524 N HA -0.139 4.593 4.740 -0.013 0.000 0.190 524 N C 1.682 177.228 175.510 0.060 0.000 1.024 524 N CA 0.844 53.945 53.050 0.086 0.000 0.853 524 N CB -0.061 38.505 38.487 0.130 0.000 1.008 524 N HN 0.400 nan 8.380 nan 0.000 0.424 525 Q N -0.539 119.214 119.800 -0.077 0.000 2.137 525 Q HA 0.011 4.343 4.340 -0.013 0.000 0.198 525 Q C 0.744 176.663 176.000 -0.135 0.000 0.960 525 Q CA 1.005 56.691 55.803 -0.195 0.000 0.847 525 Q CB 0.245 28.645 28.738 -0.563 0.000 0.915 525 Q HN 0.431 nan 8.270 nan 0.000 0.448 526 F N -1.632 118.588 119.950 0.449 0.000 2.682 526 F HA 0.259 4.779 4.527 -0.013 0.000 0.308 526 F C 0.345 176.437 175.800 0.487 0.000 1.093 526 F CA -0.420 57.945 58.000 0.607 0.000 1.244 526 F CB 1.246 40.589 39.000 0.572 0.000 1.052 526 F HN -0.274 nan 8.300 nan 0.000 0.573 527 S N 0.610 116.547 115.700 0.396 0.000 2.472 527 S HA 0.281 4.744 4.470 -0.013 0.000 0.191 527 S C -2.663 172.030 174.600 0.154 0.000 1.244 527 S CA -0.927 57.450 58.200 0.294 0.000 1.227 527 S CB 0.221 63.581 63.200 0.266 0.000 1.381 527 S HN -0.179 nan 8.310 nan 0.000 0.394 528 P HA 0.113 nan 4.420 nan 0.000 0.269 528 P C 0.815 178.113 177.300 -0.004 0.000 1.215 528 P CA -0.213 62.913 63.100 0.044 0.000 0.780 528 P CB 0.717 32.411 31.700 -0.010 0.000 0.898 529 E N 0.890 121.057 120.200 -0.054 0.000 2.285 529 E HA -0.099 4.244 4.350 -0.013 0.000 0.194 529 E C -0.482 175.877 176.600 -0.402 0.000 0.997 529 E CA 0.757 57.000 56.400 -0.261 0.000 0.845 529 E CB 0.067 29.536 29.700 -0.385 0.000 0.782 529 E HN 0.467 nan 8.360 nan 0.000 0.491 530 Y N -1.297 118.982 120.300 -0.034 0.000 2.576 530 Y HA 0.525 5.068 4.550 -0.013 0.000 0.346 530 Y C 0.721 176.574 175.900 -0.078 0.000 1.018 530 Y CA -0.931 57.136 58.100 -0.055 0.000 1.050 530 Y CB 1.738 40.167 38.460 -0.052 0.000 1.280 530 Y HN -0.087 nan 8.280 nan 0.000 0.474 531 G N -0.019 108.844 108.800 0.106 0.000 2.621 531 G HA2 0.340 4.292 3.960 -0.013 0.000 0.271 531 G HA3 0.340 4.292 3.960 -0.013 0.000 0.271 531 G C 0.815 175.699 174.900 -0.026 0.000 1.236 531 G CA -0.147 44.952 45.100 -0.003 0.000 0.958 531 G HN 0.794 nan 8.290 nan 0.000 0.512 532 V N -2.965 116.913 119.914 -0.061 0.000 3.380 532 V HA 0.075 4.188 4.120 -0.013 0.000 0.268 532 V C 1.033 177.081 176.094 -0.077 0.000 1.168 532 V CA 1.354 63.613 62.300 -0.070 0.000 1.156 532 V CB -1.359 30.434 31.823 -0.051 0.000 0.785 532 V HN 0.804 nan 8.190 nan 0.000 0.487 533 Q N 1.097 120.859 119.800 -0.063 0.000 2.434 533 Q HA -0.263 4.069 4.340 -0.013 0.000 0.299 533 Q C 1.482 177.442 176.000 -0.067 0.000 1.286 533 Q CA 0.648 56.410 55.803 -0.069 0.000 0.872 533 Q CB -2.069 26.611 28.738 -0.096 0.000 1.193 533 Q HN 1.013 nan 8.270 nan 0.000 0.466 534 S N -1.930 113.740 115.700 -0.050 0.000 2.462 534 S HA -0.144 4.318 4.470 -0.013 0.000 0.243 534 S C 1.635 176.214 174.600 -0.035 0.000 1.003 534 S CA 0.918 59.093 58.200 -0.041 0.000 0.970 534 S CB -0.125 63.061 63.200 -0.024 0.000 0.762 534 S HN 0.655 nan 8.310 nan 0.000 0.510 535 G N 0.479 109.257 108.800 -0.037 0.000 2.956 535 G HA2 0.322 4.275 3.960 -0.013 0.000 0.207 535 G HA3 0.322 4.275 3.960 -0.013 0.000 0.207 535 G C 0.057 174.936 174.900 -0.035 0.000 1.162 535 G CA -0.108 44.974 45.100 -0.031 0.000 0.796 535 G HN 0.448 nan 8.290 nan 0.000 0.527 536 V N 0.697 120.583 119.914 -0.047 0.000 2.334 536 V HA 0.273 4.386 4.120 -0.013 0.000 0.281 536 V C 1.257 177.329 176.094 -0.036 0.000 1.016 536 V CA -0.751 61.519 62.300 -0.049 0.000 0.832 536 V CB 1.345 33.123 31.823 -0.075 0.000 0.999 536 V HN 0.282 nan 8.190 nan 0.000 0.439 537 R N 1.620 122.113 120.500 -0.011 0.000 2.080 537 R HA -0.104 4.229 4.340 -0.013 0.000 0.236 537 R C 0.869 177.205 176.300 0.061 0.000 1.137 537 R CA 1.291 57.403 56.100 0.021 0.000 0.943 537 R CB 0.053 30.366 30.300 0.022 0.000 0.846 537 R HN 0.716 nan 8.270 nan 0.000 0.431 538 D N 0.786 121.218 120.400 0.053 0.000 2.348 538 D HA -0.014 4.619 4.640 -0.013 0.000 0.259 538 D C 0.592 176.874 176.300 -0.029 0.000 1.296 538 D CA 0.270 54.337 54.000 0.112 0.000 0.931 538 D CB 0.488 41.336 40.800 0.080 0.000 1.067 538 D HN 0.054 nan 8.370 nan 0.000 0.503 539 R N 1.379 121.803 120.500 -0.127 0.000 2.152 539 R HA -0.130 4.203 4.340 -0.013 0.000 0.232 539 R C 2.192 178.165 176.300 -0.545 0.000 1.117 539 R CA 1.285 57.091 56.100 -0.491 0.000 0.981 539 R CB -0.043 29.752 30.300 -0.842 0.000 0.870 539 R HN 0.437 nan 8.270 nan 0.000 0.451 540 S N 0.874 116.321 115.700 -0.422 0.000 2.423 540 S HA -0.106 4.357 4.470 -0.013 0.000 0.231 540 S C 1.552 176.052 174.600 -0.167 0.000 1.014 540 S CA 0.878 58.929 58.200 -0.249 0.000 0.965 540 S CB 0.030 63.184 63.200 -0.076 0.000 0.785 540 S HN 0.249 nan 8.310 nan 0.000 0.495 541 K N 0.597 120.912 120.400 -0.143 0.000 2.444 541 K HA 0.206 4.518 4.320 -0.013 0.000 0.193 541 K C 0.509 177.011 176.600 -0.162 0.000 1.024 541 K CA -0.062 56.152 56.287 -0.123 0.000 1.077 541 K CB 0.178 32.628 32.500 -0.084 0.000 0.833 541 K HN 0.362 nan 8.250 nan 0.000 0.517 542 R N 0.825 121.198 120.500 -0.211 0.000 2.531 542 R HA 0.142 4.475 4.340 -0.013 0.000 0.273 542 R C 1.049 177.204 176.300 -0.242 0.000 1.070 542 R CA -0.407 55.556 56.100 -0.229 0.000 1.112 542 R CB 0.636 30.780 30.300 -0.260 0.000 1.049 542 R HN -0.139 nan 8.270 nan 0.000 0.508 543 K N 1.773 121.996 120.400 -0.295 0.000 2.211 543 K HA -0.085 4.227 4.320 -0.013 0.000 0.203 543 K C 0.345 176.834 176.600 -0.185 0.000 1.050 543 K CA 1.331 57.406 56.287 -0.354 0.000 0.945 543 K CB 0.136 32.153 32.500 -0.806 0.000 0.732 543 K HN 0.408 nan 8.250 nan 0.000 0.451 544 R N 0.351 120.754 120.500 -0.161 0.000 2.564 544 R HA 0.170 4.502 4.340 -0.013 0.000 0.282 544 R C -2.187 173.989 176.300 -0.206 0.000 1.573 544 R CA -1.393 54.644 56.100 -0.105 0.000 1.588 544 R CB 1.133 31.407 30.300 -0.043 0.000 1.154 544 R HN -0.117 nan 8.270 nan 0.000 0.606 545 P HA -0.174 nan 4.420 nan 0.000 0.216 545 P C -0.249 176.419 177.300 -1.054 0.000 1.157 545 P CA 1.454 64.125 63.100 -0.716 0.000 0.880 545 P CB 0.227 31.545 31.700 -0.637 0.000 0.791 546 F N -3.981 115.928 119.950 -0.068 0.000 2.646 546 F HA 0.335 4.854 4.527 -0.013 0.000 0.336 546 F C -1.870 173.934 175.800 0.005 0.000 1.437 546 F CA -1.957 56.018 58.000 -0.041 0.000 1.142 546 F CB 0.910 39.880 39.000 -0.051 0.000 1.530 546 F HN -0.092 nan 8.300 nan 0.000 0.591 547 P HA -0.225 nan 4.420 nan 0.000 0.218 547 P C 1.925 179.322 177.300 0.162 0.000 1.152 547 P CA 1.948 65.138 63.100 0.151 0.000 0.857 547 P CB 0.233 32.033 31.700 0.167 0.000 0.787 548 G N -0.520 108.344 108.800 0.106 0.000 2.422 548 G HA2 -0.204 3.748 3.960 -0.013 0.000 0.218 548 G HA3 -0.204 3.748 3.960 -0.013 0.000 0.218 548 G C 1.407 176.362 174.900 0.091 0.000 1.140 548 G CA 0.287 45.405 45.100 0.030 0.000 0.775 548 G HN 0.252 nan 8.290 nan 0.000 0.545 549 L N 0.647 121.944 121.223 0.123 0.000 2.261 549 L HA -0.095 4.237 4.340 -0.013 0.000 0.216 549 L C 3.202 180.154 176.870 0.137 0.000 1.114 549 L CA 0.709 55.613 54.840 0.107 0.000 0.777 549 L CB -0.349 41.760 42.059 0.084 0.000 0.910 549 L HN 0.318 nan 8.230 nan 0.000 0.440 550 A N -0.734 122.192 122.820 0.176 0.000 2.121 550 A HA -0.228 4.084 4.320 -0.013 0.000 0.218 550 A C 2.136 179.863 177.584 0.239 0.000 1.154 550 A CA 0.655 52.812 52.037 0.199 0.000 0.679 550 A CB -0.721 18.415 19.000 0.226 0.000 0.795 550 A HN 0.673 nan 8.150 nan 0.000 0.458 551 W N 0.571 121.881 121.300 0.016 0.000 2.388 551 W HA -0.168 4.484 4.660 -0.013 0.000 0.294 551 W C 2.227 178.762 176.519 0.027 0.000 1.212 551 W CA 1.381 58.726 57.345 -0.000 0.000 1.271 551 W CB -0.081 29.329 29.460 -0.083 0.000 1.126 551 W HN 0.442 nan 8.180 nan 0.000 0.535 552 A N 0.370 123.282 122.820 0.154 0.000 1.972 552 A HA -0.225 4.088 4.320 -0.013 0.000 0.219 552 A C 1.946 179.521 177.584 -0.015 0.000 1.169 552 A CA 2.396 54.460 52.037 0.045 0.000 0.635 552 A CB -0.949 18.081 19.000 0.051 0.000 0.810 552 A HN 0.341 nan 8.150 nan 0.000 0.446 553 S N -1.524 114.182 115.700 0.010 0.000 2.503 553 S HA 0.075 4.537 4.470 -0.013 0.000 0.215 553 S C 1.798 176.401 174.600 0.005 0.000 1.003 553 S CA 0.698 58.894 58.200 -0.007 0.000 0.910 553 S CB -0.465 62.741 63.200 0.009 0.000 0.790 553 S HN 0.529 nan 8.310 nan 0.000 0.514 554 M N 2.065 121.685 119.600 0.033 0.000 2.405 554 M HA -0.349 4.124 4.480 -0.013 0.000 0.256 554 M C 2.152 178.556 176.300 0.174 0.000 1.067 554 M CA 2.498 57.884 55.300 0.143 0.000 1.073 554 M CB -0.305 32.226 32.600 -0.115 0.000 1.273 554 M HN 0.290 nan 8.290 nan 0.000 0.443 555 K N 0.624 121.030 120.400 0.009 0.000 2.020 555 K HA -0.242 4.070 4.320 -0.013 0.000 0.212 555 K C 1.802 178.297 176.600 -0.175 0.000 1.050 555 K CA 2.452 58.662 56.287 -0.129 0.000 0.929 555 K CB -0.831 31.585 32.500 -0.141 0.000 0.714 555 K HN 0.619 nan 8.250 nan 0.000 0.443 556 D N -1.095 119.233 120.400 -0.120 0.000 2.117 556 D HA -0.135 4.498 4.640 -0.013 0.000 0.197 556 D C 1.337 177.548 176.300 -0.149 0.000 0.987 556 D CA 1.673 55.598 54.000 -0.126 0.000 0.829 556 D CB 0.101 40.840 40.800 -0.102 0.000 0.961 556 D HN 0.317 nan 8.370 nan 0.000 0.460 557 T N -0.921 113.527 114.554 -0.177 0.000 2.770 557 T HA -0.132 4.210 4.350 -0.013 0.000 0.263 557 T C 1.237 175.633 174.700 -0.508 0.000 1.039 557 T CA 1.107 62.973 62.100 -0.390 0.000 1.142 557 T CB -0.215 68.288 68.868 -0.608 0.000 0.868 557 T HN 0.281 nan 8.240 nan 0.000 0.435 558 Y N 0.016 120.330 120.300 0.024 0.000 2.481 558 Y HA 0.426 4.969 4.550 -0.013 0.000 0.247 558 Y C 2.353 178.202 175.900 -0.085 0.000 1.151 558 Y CA -0.663 57.481 58.100 0.074 0.000 1.238 558 Y CB -0.406 38.202 38.460 0.246 0.000 1.179 558 Y HN 0.185 nan 8.280 nan 0.000 0.524 559 G N 1.062 109.667 108.800 -0.325 0.000 2.505 559 G HA2 -0.365 3.588 3.960 -0.013 0.000 0.220 559 G HA3 -0.365 3.588 3.960 -0.013 0.000 0.220 559 G C 1.875 176.593 174.900 -0.304 0.000 1.145 559 G CA 1.238 45.912 45.100 -0.710 0.000 0.761 559 G HN 0.450 nan 8.290 nan 0.000 0.571 560 A N -0.753 121.989 122.820 -0.130 0.000 2.178 560 A HA 0.045 4.357 4.320 -0.013 0.000 0.218 560 A C 1.630 179.231 177.584 0.028 0.000 1.157 560 A CA 0.867 52.879 52.037 -0.041 0.000 0.689 560 A CB -0.873 18.116 19.000 -0.018 0.000 0.787 560 A HN 0.538 nan 8.150 nan 0.000 0.465 561 C N 0.564 119.914 119.300 0.084 0.000 2.648 561 C HA 0.317 4.770 4.460 -0.013 0.000 0.415 561 C C -0.527 174.539 174.990 0.126 0.000 1.366 561 C CA -1.338 57.762 59.018 0.136 0.000 1.756 561 C CB 0.117 27.985 27.740 0.213 0.000 2.549 561 C HN 0.430 nan 8.230 nan 0.000 0.597 562 P HA -0.180 nan 4.420 nan 0.000 0.218 562 P C 0.769 178.130 177.300 0.102 0.000 1.154 562 P CA 1.855 65.013 63.100 0.097 0.000 0.872 562 P CB -0.104 31.652 31.700 0.094 0.000 0.790 563 I N -6.129 114.477 120.570 0.059 0.000 3.736 563 I HA 0.233 4.396 4.170 -0.013 0.000 0.338 563 I C 1.531 177.641 176.117 -0.012 0.000 1.558 563 I CA -0.582 60.701 61.300 -0.029 0.000 1.147 563 I CB -0.483 37.314 38.000 -0.339 0.000 1.275 563 I HN -0.159 nan 8.210 nan 0.000 0.454 564 Y N 3.025 123.309 120.300 -0.027 0.000 2.014 564 Y HA -0.376 4.167 4.550 -0.013 0.000 0.270 564 Y C 2.787 178.682 175.900 -0.008 0.000 1.145 564 Y CA 2.950 61.043 58.100 -0.010 0.000 1.106 564 Y CB -0.414 38.061 38.460 0.026 0.000 0.968 564 Y HN 0.508 nan 8.280 nan 0.000 0.484 565 S N 0.049 115.898 115.700 0.248 0.000 2.380 565 S HA -0.283 4.180 4.470 -0.013 0.000 0.229 565 S C 1.516 176.133 174.600 0.029 0.000 1.043 565 S CA 1.832 60.108 58.200 0.126 0.000 1.038 565 S CB -1.029 62.286 63.200 0.193 0.000 0.872 565 S HN 0.652 nan 8.310 nan 0.000 0.456 566 D N 1.643 122.068 120.400 0.042 0.000 2.097 566 D HA -0.039 4.594 4.640 -0.013 0.000 0.195 566 D C 2.040 178.338 176.300 -0.002 0.000 0.989 566 D CA 1.116 55.162 54.000 0.075 0.000 0.827 566 D CB -0.675 40.220 40.800 0.159 0.000 0.966 566 D HN 0.338 nan 8.370 nan 0.000 0.456 567 V N 0.755 120.577 119.914 -0.153 0.000 2.295 567 V HA -0.222 3.890 4.120 -0.013 0.000 0.246 567 V C 2.498 178.538 176.094 -0.090 0.000 1.049 567 V CA 1.251 63.449 62.300 -0.170 0.000 1.024 567 V CB -0.550 31.127 31.823 -0.244 0.000 0.648 567 V HN 0.252 nan 8.190 nan 0.000 0.447 568 L N -0.386 120.749 121.223 -0.147 0.000 2.012 568 L HA -0.253 4.079 4.340 -0.013 0.000 0.210 568 L C 2.655 179.567 176.870 0.069 0.000 1.073 568 L CA 1.967 56.777 54.840 -0.049 0.000 0.748 568 L CB -0.626 41.344 42.059 -0.147 0.000 0.891 568 L HN 0.414 nan 8.230 nan 0.000 0.431 569 E N -0.214 120.019 120.200 0.056 0.000 2.085 569 E HA -0.243 4.100 4.350 -0.013 0.000 0.194 569 E C 2.255 178.893 176.600 0.063 0.000 0.994 569 E CA 1.171 57.624 56.400 0.088 0.000 0.801 569 E CB -0.165 29.586 29.700 0.085 0.000 0.743 569 E HN 0.515 nan 8.360 nan 0.000 0.453 570 A N 1.181 124.014 122.820 0.022 0.000 1.908 570 A HA -0.211 4.102 4.320 -0.013 0.000 0.218 570 A C 2.156 179.731 177.584 -0.016 0.000 1.181 570 A CA 1.226 53.210 52.037 -0.089 0.000 0.627 570 A CB -0.629 18.353 19.000 -0.031 0.000 0.818 570 A HN 0.151 nan 8.150 nan 0.000 0.445 571 I N -1.014 119.606 120.570 0.083 0.000 2.113 571 I HA -0.270 3.893 4.170 -0.013 0.000 0.238 571 I C 2.597 178.914 176.117 0.333 0.000 1.070 571 I CA 1.912 63.347 61.300 0.225 0.000 1.332 571 I CB -0.411 37.700 38.000 0.185 0.000 1.044 571 I HN 0.394 nan 8.210 nan 0.000 0.402 572 E N 1.131 121.503 120.200 0.288 0.000 2.065 572 E HA -0.302 4.041 4.350 -0.013 0.000 0.201 572 E C 2.225 179.087 176.600 0.437 0.000 1.016 572 E CA 1.799 58.426 56.400 0.379 0.000 0.818 572 E CB -0.199 29.696 29.700 0.326 0.000 0.749 572 E HN 0.187 nan 8.360 nan 0.000 0.453 573 R N -0.664 119.997 120.500 0.270 0.000 2.082 573 R HA -0.154 4.179 4.340 -0.013 0.000 0.234 573 R C 2.439 178.900 176.300 0.268 0.000 1.136 573 R CA 1.953 58.180 56.100 0.213 0.000 0.935 573 R CB -0.771 29.533 30.300 0.006 0.000 0.842 573 R HN 0.354 nan 8.270 nan 0.000 0.430 574 C N -0.375 119.055 119.300 0.215 0.000 2.425 574 C HA -0.125 4.327 4.460 -0.013 0.000 0.277 574 C C 2.372 177.670 174.990 0.513 0.000 1.280 574 C CA 0.215 59.390 59.018 0.261 0.000 1.744 574 C CB -1.352 26.430 27.740 0.070 0.000 1.989 574 C HN 0.688 nan 8.230 nan 0.000 0.491 575 W N -0.360 121.174 121.300 0.390 0.000 2.381 575 W HA -0.134 4.518 4.660 -0.013 0.000 0.301 575 W C 2.248 178.857 176.519 0.149 0.000 1.205 575 W CA 1.121 58.576 57.345 0.183 0.000 1.285 575 W CB -0.703 28.746 29.460 -0.018 0.000 1.133 575 W HN 0.458 nan 8.180 nan 0.000 0.521 576 W N 1.353 122.857 121.300 0.339 0.000 2.333 576 W HA -0.256 4.397 4.660 -0.012 0.000 0.316 576 W C 2.351 178.912 176.519 0.071 0.000 1.215 576 W CA 1.903 59.363 57.345 0.192 0.000 1.278 576 W CB -0.979 28.568 29.460 0.145 0.000 1.154 576 W HN -0.195 nan 8.180 nan 0.000 0.486 577 N N -0.329 118.552 118.700 0.303 0.000 2.334 577 N HA -0.157 4.575 4.740 -0.013 0.000 0.187 577 N C 1.357 176.842 175.510 -0.042 0.000 1.016 577 N CA 1.738 54.864 53.050 0.127 0.000 0.879 577 N CB -0.563 37.971 38.487 0.078 0.000 0.965 577 N HN 0.213 nan 8.380 nan 0.000 0.438 578 A N -1.546 121.171 122.820 -0.171 0.000 2.229 578 A HA 0.326 4.639 4.320 -0.013 0.000 0.211 578 A C 1.162 178.200 177.584 -0.909 0.000 1.193 578 A CA -0.089 51.628 52.037 -0.533 0.000 0.879 578 A CB 0.268 18.876 19.000 -0.654 0.000 0.911 578 A HN 0.163 nan 8.150 nan 0.000 0.492 579 F N -1.831 117.856 119.950 -0.439 0.000 2.819 579 F HA 0.359 4.879 4.527 -0.013 0.000 0.325 579 F C 1.716 177.284 175.800 -0.386 0.000 1.041 579 F CA 0.494 58.197 58.000 -0.495 0.000 1.184 579 F CB 0.799 39.309 39.000 -0.816 0.000 1.019 579 F HN 0.282 nan 8.300 nan 0.000 0.590 580 G N 1.088 109.740 108.800 -0.246 0.000 2.160 580 G HA2 -0.209 3.743 3.960 -0.013 0.000 0.251 580 G HA3 -0.209 3.743 3.960 -0.013 0.000 0.251 580 G C -0.137 174.231 174.900 -0.886 0.000 1.008 580 G CA 0.239 45.112 45.100 -0.377 0.000 0.724 580 G HN 0.251 nan 8.290 nan 0.000 0.514 581 E N -0.527 119.148 120.200 -0.874 0.000 2.378 581 E HA 0.626 4.968 4.350 -0.013 0.000 0.265 581 E C -0.316 175.826 176.600 -0.764 0.000 0.932 581 E CA -0.359 55.628 56.400 -0.688 0.000 0.795 581 E CB 1.487 31.053 29.700 -0.224 0.000 1.296 581 E HN 0.370 nan 8.360 nan 0.000 0.438 582 S N 0.497 116.001 115.700 -0.327 0.000 2.438 582 S HA 0.140 4.602 4.470 -0.013 0.000 0.293 582 S C 0.622 175.170 174.600 -0.086 0.000 1.141 582 S CA -0.473 57.716 58.200 -0.019 0.000 1.080 582 S CB 0.160 63.480 63.200 0.200 0.000 0.978 582 S HN 0.622 nan 8.310 nan 0.000 0.479 583 Y N 5.394 125.522 120.300 -0.287 0.000 2.145 583 Y HA -0.146 4.396 4.550 -0.013 0.000 0.286 583 Y C 2.540 178.166 175.900 -0.456 0.000 1.145 583 Y CA 2.103 59.771 58.100 -0.721 0.000 1.148 583 Y CB -0.180 37.825 38.460 -0.757 0.000 0.981 583 Y HN 0.812 nan 8.280 nan 0.000 0.507 584 R N 0.381 120.774 120.500 -0.178 0.000 2.113 584 R HA -0.269 4.064 4.340 -0.013 0.000 0.244 584 R C 2.336 178.412 176.300 -0.373 0.000 1.142 584 R CA 1.700 57.684 56.100 -0.194 0.000 0.953 584 R CB -0.682 29.712 30.300 0.157 0.000 0.860 584 R HN 0.479 nan 8.270 nan 0.000 0.438 585 A N 0.028 122.723 122.820 -0.209 0.000 1.858 585 A HA -0.243 4.070 4.320 -0.013 0.000 0.216 585 A C 2.039 179.431 177.584 -0.320 0.000 1.190 585 A CA 1.529 53.453 52.037 -0.188 0.000 0.617 585 A CB -1.149 17.810 19.000 -0.068 0.000 0.827 585 A HN 0.618 nan 8.150 nan 0.000 0.443 586 Y N 0.984 120.970 120.300 -0.523 0.000 2.062 586 Y HA -0.311 4.231 4.550 -0.013 0.000 0.276 586 Y C 2.459 177.898 175.900 -0.767 0.000 1.189 586 Y CA 2.461 60.198 58.100 -0.605 0.000 1.130 586 Y CB -0.236 37.781 38.460 -0.738 0.000 0.959 586 Y HN 0.224 nan 8.280 nan 0.000 0.499 587 R N 0.568 120.345 120.500 -1.205 0.000 2.092 587 R HA -0.104 4.229 4.340 -0.013 0.000 0.231 587 R C 2.143 177.818 176.300 -1.041 0.000 1.119 587 R CA 1.629 56.845 56.100 -1.474 0.000 0.970 587 R CB -0.858 27.895 30.300 -2.579 0.000 0.864 587 R HN 0.588 nan 8.270 nan 0.000 0.440 588 E N 0.673 120.398 120.200 -0.791 0.000 2.110 588 E HA -0.153 4.189 4.350 -0.013 0.000 0.193 588 E C 1.343 177.762 176.600 -0.301 0.000 0.988 588 E CA 1.007 57.173 56.400 -0.390 0.000 0.804 588 E CB -0.024 29.559 29.700 -0.195 0.000 0.745 588 E HN 0.290 nan 8.360 nan 0.000 0.458 589 D N 0.813 121.008 120.400 -0.342 0.000 2.078 589 D HA -0.182 4.450 4.640 -0.013 0.000 0.193 589 D C 1.934 178.064 176.300 -0.284 0.000 0.990 589 D CA 0.991 54.835 54.000 -0.260 0.000 0.827 589 D CB -0.306 40.351 40.800 -0.240 0.000 0.975 589 D HN 0.104 nan 8.370 nan 0.000 0.451 590 M N 0.505 119.838 119.600 -0.444 0.000 2.106 590 M HA -0.186 4.287 4.480 -0.013 0.000 0.259 590 M C 2.192 178.356 176.300 -0.227 0.000 1.068 590 M CA 1.187 56.256 55.300 -0.386 0.000 1.100 590 M CB -0.052 32.195 32.600 -0.588 0.000 1.351 590 M HN 0.037 nan 8.290 nan 0.000 0.404 591 L N 0.035 121.115 121.223 -0.237 0.000 1.994 591 L HA -0.292 4.040 4.340 -0.013 0.000 0.208 591 L C 2.343 179.175 176.870 -0.063 0.000 1.071 591 L CA 1.771 56.552 54.840 -0.097 0.000 0.745 591 L CB -0.426 41.608 42.059 -0.042 0.000 0.892 591 L HN 0.348 nan 8.230 nan 0.000 0.431 592 K N -0.601 119.750 120.400 -0.082 0.000 2.032 592 K HA -0.260 4.052 4.320 -0.013 0.000 0.209 592 K C 2.214 178.788 176.600 -0.042 0.000 1.048 592 K CA 1.673 57.928 56.287 -0.053 0.000 0.927 592 K CB -0.163 32.303 32.500 -0.057 0.000 0.712 592 K HN 0.212 nan 8.250 nan 0.000 0.441 593 R N 0.894 121.361 120.500 -0.056 0.000 2.080 593 R HA -0.169 4.163 4.340 -0.013 0.000 0.236 593 R C 1.805 178.115 176.300 0.016 0.000 1.137 593 R CA 2.060 58.144 56.100 -0.028 0.000 0.943 593 R CB -0.076 30.193 30.300 -0.051 0.000 0.846 593 R HN 0.160 nan 8.270 nan 0.000 0.431 594 D N -0.946 119.468 120.400 0.023 0.000 2.144 594 D HA -0.089 4.544 4.640 -0.013 0.000 0.200 594 D C 1.723 178.041 176.300 0.029 0.000 0.978 594 D CA 1.460 55.524 54.000 0.107 0.000 0.833 594 D CB -0.235 40.653 40.800 0.147 0.000 0.961 594 D HN 0.246 nan 8.370 nan 0.000 0.470 595 T N 1.144 115.687 114.554 -0.019 0.000 2.699 595 T HA -0.131 4.211 4.350 -0.013 0.000 0.268 595 T C 2.199 176.865 174.700 -0.057 0.000 1.036 595 T CA 0.657 62.720 62.100 -0.061 0.000 1.147 595 T CB -0.244 68.599 68.868 -0.042 0.000 0.862 595 T HN 0.140 nan 8.240 nan 0.000 0.446 596 L N 0.401 121.613 121.223 -0.018 0.000 2.005 596 L HA -0.099 4.234 4.340 -0.013 0.000 0.207 596 L C 2.846 179.733 176.870 0.027 0.000 1.072 596 L CA 1.405 56.243 54.840 -0.003 0.000 0.744 596 L CB -0.455 41.606 42.059 0.004 0.000 0.895 596 L HN 0.195 nan 8.230 nan 0.000 0.433 597 E N 0.416 120.667 120.200 0.086 0.000 2.097 597 E HA -0.279 4.063 4.350 -0.013 0.000 0.196 597 E C 1.982 178.727 176.600 0.243 0.000 1.000 597 E CA 1.315 57.839 56.400 0.207 0.000 0.804 597 E CB -0.346 29.549 29.700 0.324 0.000 0.740 597 E HN 0.235 nan 8.360 nan 0.000 0.454 598 L N 0.689 121.893 121.223 -0.032 0.000 2.013 598 L HA -0.249 4.083 4.340 -0.013 0.000 0.212 598 L C 2.304 179.144 176.870 -0.051 0.000 1.073 598 L CA 2.648 57.287 54.840 -0.335 0.000 0.753 598 L CB -1.214 40.473 42.059 -0.621 0.000 0.890 598 L HN 0.321 nan 8.230 nan 0.000 0.432 599 S N -0.787 114.882 115.700 -0.051 0.000 2.420 599 S HA -0.325 4.138 4.470 -0.013 0.000 0.237 599 S C 2.178 176.768 174.600 -0.017 0.000 1.023 599 S CA 1.416 59.596 58.200 -0.033 0.000 0.991 599 S CB -0.877 62.302 63.200 -0.035 0.000 0.792 599 S HN 0.632 nan 8.310 nan 0.000 0.488 600 R N -0.045 120.453 120.500 -0.003 0.000 2.096 600 R HA -0.078 4.254 4.340 -0.013 0.000 0.235 600 R C 1.605 177.771 176.300 -0.223 0.000 1.127 600 R CA 1.594 57.614 56.100 -0.134 0.000 0.968 600 R CB -0.312 29.860 30.300 -0.213 0.000 0.861 600 R HN 0.599 nan 8.270 nan 0.000 0.440 601 Y N -0.441 119.871 120.300 0.019 0.000 2.490 601 Y HA 0.105 4.647 4.550 -0.013 0.000 0.285 601 Y C 0.510 176.409 175.900 -0.003 0.000 1.117 601 Y CA -0.033 58.089 58.100 0.036 0.000 1.262 601 Y CB 0.540 39.070 38.460 0.116 0.000 1.043 601 Y HN -0.207 nan 8.280 nan 0.000 0.553 602 V N 0.861 120.828 119.914 0.088 0.000 2.385 602 V HA 0.305 4.417 4.120 -0.013 0.000 0.269 602 V C 1.046 177.141 176.094 0.001 0.000 1.043 602 V CA -0.200 62.118 62.300 0.030 0.000 0.906 602 V CB 0.669 32.485 31.823 -0.011 0.000 0.995 602 V HN 0.319 nan 8.190 nan 0.000 0.467 603 A N 4.162 126.984 122.820 0.003 0.000 1.972 603 A HA -0.112 4.201 4.320 -0.013 0.000 0.219 603 A C 2.135 179.710 177.584 -0.015 0.000 1.169 603 A CA 2.010 54.041 52.037 -0.009 0.000 0.635 603 A CB -0.279 18.718 19.000 -0.005 0.000 0.810 603 A HN 0.975 nan 8.150 nan 0.000 0.446 604 S N -1.588 114.102 115.700 -0.016 0.000 2.575 604 S HA 0.358 4.820 4.470 -0.013 0.000 0.215 604 S C 0.590 175.174 174.600 -0.025 0.000 0.966 604 S CA -0.238 57.950 58.200 -0.020 0.000 0.911 604 S CB -0.193 62.995 63.200 -0.020 0.000 0.780 604 S HN 0.412 nan 8.310 nan 0.000 0.514 605 M N 2.591 122.174 119.600 -0.028 0.000 2.144 605 M HA 0.474 4.946 4.480 -0.013 0.000 0.356 605 M C 0.259 176.540 176.300 -0.031 0.000 1.217 605 M CA -0.397 54.882 55.300 -0.034 0.000 1.087 605 M CB 1.351 33.926 32.600 -0.042 0.000 1.609 605 M HN 0.311 nan 8.290 nan 0.000 0.467 606 A N 3.783 126.585 122.820 -0.030 0.000 2.531 606 A HA 0.097 4.410 4.320 -0.013 0.000 0.236 606 A C 0.426 177.993 177.584 -0.029 0.000 1.062 606 A CA -0.051 51.969 52.037 -0.027 0.000 0.760 606 A CB 0.065 19.050 19.000 -0.025 0.000 0.995 606 A HN 0.898 nan 8.150 nan 0.000 0.501 607 R N 1.080 121.564 120.500 -0.027 0.000 4.825 607 R HA 0.028 4.360 4.340 -0.013 0.000 0.189 607 R C 0.110 176.395 176.300 -0.025 0.000 2.283 607 R CA 0.809 56.892 56.100 -0.028 0.000 1.847 607 R CB -0.522 29.762 30.300 -0.027 0.000 1.229 607 R HN 0.848 nan 8.270 nan 0.000 0.742 608 Q N -2.141 117.643 119.800 -0.026 0.000 1.530 608 Q HA 0.043 4.375 4.340 -0.013 0.000 0.125 608 Q C -0.577 175.407 176.000 -0.026 0.000 0.752 608 Q CA 0.144 55.932 55.803 -0.024 0.000 0.591 608 Q CB -0.180 28.546 28.738 -0.020 0.000 1.026 608 Q HN 0.493 nan 8.270 nan 0.000 0.351 609 A N 0.126 122.928 122.820 -0.029 0.000 2.307 609 A HA 0.681 4.994 4.320 -0.013 0.000 0.271 609 A C 0.772 178.336 177.584 -0.034 0.000 1.188 609 A CA 0.716 52.735 52.037 -0.030 0.000 0.810 609 A CB -0.093 18.887 19.000 -0.033 0.000 1.123 609 A HN 0.287 nan 8.150 nan 0.000 0.509 610 G N -2.249 106.531 108.800 -0.034 0.000 2.705 610 G HA2 0.489 4.441 3.960 -0.013 0.000 0.299 610 G HA3 0.489 4.441 3.960 -0.013 0.000 0.299 610 G C 0.089 174.962 174.900 -0.045 0.000 1.315 610 G CA -0.806 44.272 45.100 -0.035 0.000 1.045 610 G HN 0.629 nan 8.290 nan 0.000 0.517 611 L N 1.214 122.411 121.223 -0.044 0.000 2.713 611 L HA 0.128 4.461 4.340 -0.013 0.000 0.245 611 L C 2.660 179.501 176.870 -0.048 0.000 1.169 611 L CA 0.283 55.092 54.840 -0.052 0.000 0.962 611 L CB -0.598 41.434 42.059 -0.044 0.000 1.161 611 L HN 0.625 nan 8.230 nan 0.000 0.427 612 A N 0.954 123.749 122.820 -0.042 0.000 1.870 612 A HA -0.247 4.066 4.320 -0.013 0.000 0.219 612 A C 1.638 179.195 177.584 -0.045 0.000 1.224 612 A CA 1.739 53.753 52.037 -0.039 0.000 0.650 612 A CB -0.328 18.651 19.000 -0.035 0.000 0.836 612 A HN 0.533 nan 8.150 nan 0.000 0.454 613 E N -0.449 119.722 120.200 -0.049 0.000 2.462 613 E HA 0.448 4.790 4.350 -0.013 0.000 0.255 613 E C -1.253 175.310 176.600 -0.063 0.000 1.311 613 E CA -0.231 56.137 56.400 -0.053 0.000 1.629 613 E CB 0.153 29.825 29.700 -0.047 0.000 1.510 613 E HN 0.435 nan 8.360 nan 0.000 0.438 614 L N 0.857 122.039 121.223 -0.069 0.000 2.362 614 L HA 0.368 4.701 4.340 -0.013 0.000 0.275 614 L C 0.378 177.192 176.870 -0.095 0.000 0.998 614 L CA -0.822 53.969 54.840 -0.082 0.000 0.820 614 L CB 1.979 43.990 42.059 -0.081 0.000 1.270 614 L HN 0.096 nan 8.230 nan 0.000 0.415 615 T N 2.376 116.858 114.554 -0.120 0.000 2.856 615 T HA 0.058 4.400 4.350 -0.013 0.000 0.306 615 T C -1.806 172.799 174.700 -0.158 0.000 1.062 615 T CA -0.841 61.167 62.100 -0.153 0.000 1.083 615 T CB 0.865 69.603 68.868 -0.218 0.000 0.984 615 T HN 0.409 nan 8.240 nan 0.000 0.542 616 P HA 0.076 nan 4.420 nan 0.000 0.219 616 P C 1.430 178.613 177.300 -0.196 0.000 1.150 616 P CA 0.644 63.660 63.100 -0.139 0.000 0.814 616 P CB 0.017 31.639 31.700 -0.130 0.000 0.787 617 I N -0.387 119.964 120.570 -0.365 0.000 2.179 617 I HA -0.252 3.910 4.170 -0.013 0.000 0.242 617 I C 1.826 177.710 176.117 -0.388 0.000 1.088 617 I CA 1.520 62.412 61.300 -0.680 0.000 1.357 617 I CB -0.693 36.682 38.000 -1.041 0.000 1.051 617 I HN -0.071 nan 8.210 nan 0.000 0.409 618 D N 0.917 121.156 120.400 -0.269 0.000 2.133 618 D HA -0.192 4.440 4.640 -0.013 0.000 0.192 618 D C 2.306 178.558 176.300 -0.080 0.000 1.001 618 D CA 1.420 55.329 54.000 -0.151 0.000 0.844 618 D CB -0.381 40.344 40.800 -0.125 0.000 0.944 618 D HN 0.288 nan 8.370 nan 0.000 0.447 619 L N 0.793 121.974 121.223 -0.070 0.000 2.017 619 L HA -0.137 4.196 4.340 -0.013 0.000 0.208 619 L C 2.389 179.289 176.870 0.051 0.000 1.073 619 L CA 1.047 55.882 54.840 -0.009 0.000 0.745 619 L CB -0.505 41.550 42.059 -0.006 0.000 0.894 619 L HN -0.007 nan 8.230 nan 0.000 0.432 620 E N 0.125 120.362 120.200 0.063 0.000 2.110 620 E HA -0.163 4.180 4.350 -0.013 0.000 0.193 620 E C 2.364 179.070 176.600 0.178 0.000 0.988 620 E CA 1.139 57.636 56.400 0.163 0.000 0.804 620 E CB -0.251 29.613 29.700 0.273 0.000 0.745 620 E HN 0.342 nan 8.360 nan 0.000 0.458 621 V N 1.439 121.435 119.914 0.137 0.000 2.453 621 V HA -0.188 3.924 4.120 -0.013 0.000 0.247 621 V C 2.440 178.597 176.094 0.106 0.000 1.048 621 V CA 1.087 63.467 62.300 0.133 0.000 1.049 621 V CB -0.396 31.477 31.823 0.084 0.000 0.672 621 V HN 0.195 nan 8.190 nan 0.000 0.457 622 L N -0.076 121.209 121.223 0.102 0.000 2.275 622 L HA -0.070 4.263 4.340 -0.013 0.000 0.215 622 L C 2.470 179.453 176.870 0.189 0.000 1.119 622 L CA 1.240 56.180 54.840 0.166 0.000 0.790 622 L CB -0.484 41.668 42.059 0.155 0.000 0.919 622 L HN 0.368 nan 8.230 nan 0.000 0.443 623 A N -1.521 121.391 122.820 0.154 0.000 2.030 623 A HA -0.050 4.263 4.320 -0.013 0.000 0.215 623 A C 0.395 178.048 177.584 0.114 0.000 1.164 623 A CA 0.696 52.819 52.037 0.144 0.000 0.697 623 A CB 0.104 19.201 19.000 0.161 0.000 0.827 623 A HN 0.316 nan 8.150 nan 0.000 0.457 624 D N -2.169 118.304 120.400 0.121 0.000 2.411 624 D HA 0.326 4.958 4.640 -0.013 0.000 0.239 624 D C -2.561 173.809 176.300 0.116 0.000 1.307 624 D CA -1.297 52.775 54.000 0.120 0.000 0.930 624 D CB 1.186 42.079 40.800 0.155 0.000 1.395 624 D HN -0.146 nan 8.370 nan 0.000 0.536 625 P HA -0.069 nan 4.420 nan 0.000 0.223 625 P C 1.158 178.514 177.300 0.093 0.000 1.144 625 P CA 0.527 63.666 63.100 0.066 0.000 0.783 625 P CB 0.308 32.016 31.700 0.013 0.000 0.771 626 N N -0.282 118.501 118.700 0.137 0.000 2.149 626 N HA -0.159 4.573 4.740 -0.013 0.000 0.188 626 N C 1.459 177.107 175.510 0.230 0.000 1.019 626 N CA 1.224 54.400 53.050 0.211 0.000 0.857 626 N CB -0.389 38.261 38.487 0.270 0.000 0.997 626 N HN 0.124 nan 8.380 nan 0.000 0.426 627 K N 0.213 120.668 120.400 0.092 0.000 2.218 627 K HA -0.073 4.239 4.320 -0.013 0.000 0.205 627 K C 1.502 177.950 176.600 -0.253 0.000 1.046 627 K CA 0.438 56.524 56.287 -0.335 0.000 0.933 627 K CB -0.158 32.264 32.500 -0.130 0.000 0.728 627 K HN 0.033 nan 8.250 nan 0.000 0.454 628 L N 0.537 121.768 121.223 0.013 0.000 2.552 628 L HA -0.044 4.289 4.340 -0.013 0.000 0.227 628 L C 0.160 177.068 176.870 0.063 0.000 1.146 628 L CA 1.457 56.342 54.840 0.075 0.000 0.858 628 L CB 0.087 42.203 42.059 0.094 0.000 0.969 628 L HN 0.098 nan 8.230 nan 0.000 0.451 629 Q N -2.022 117.817 119.800 0.064 0.000 2.215 629 Q HA 0.182 4.515 4.340 -0.013 0.000 0.337 629 Q C -0.584 175.521 176.000 0.177 0.000 0.887 629 Q CA -0.022 55.849 55.803 0.112 0.000 1.134 629 Q CB 0.582 29.396 28.738 0.127 0.000 1.303 629 Q HN 0.490 nan 8.270 nan 0.000 0.421 630 Y N -3.493 116.779 120.300 -0.046 0.000 2.919 630 Y HA 0.206 4.748 4.550 -0.013 0.000 0.339 630 Y C 0.561 176.327 175.900 -0.224 0.000 0.897 630 Y CA 0.074 58.111 58.100 -0.105 0.000 0.902 630 Y CB -0.101 38.300 38.460 -0.099 0.000 1.387 630 Y HN -0.044 nan 8.280 nan 0.000 0.528 631 K N -0.537 119.344 120.400 -0.865 0.000 2.403 631 K HA 0.293 4.605 4.320 -0.013 0.000 0.199 631 K C -0.058 176.014 176.600 -0.881 0.000 1.199 631 K CA 0.470 56.082 56.287 -1.126 0.000 0.924 631 K CB 0.843 32.210 32.500 -1.888 0.000 1.137 631 K HN 0.217 nan 8.250 nan 0.000 0.510 632 W N -0.797 120.315 121.300 -0.314 0.000 3.179 632 W HA 0.452 5.104 4.660 -0.013 0.000 0.372 632 W C -0.455 175.969 176.519 -0.158 0.000 1.137 632 W CA -0.662 56.538 57.345 -0.242 0.000 1.100 632 W CB 0.683 30.014 29.460 -0.215 0.000 1.503 632 W HN -0.219 nan 8.180 nan 0.000 0.601 633 T N -0.632 114.010 114.554 0.147 0.000 2.816 633 T HA 0.125 4.467 4.350 -0.013 0.000 0.299 633 T C 0.736 175.495 174.700 0.099 0.000 1.230 633 T CA -0.218 61.946 62.100 0.106 0.000 1.007 633 T CB 1.583 70.488 68.868 0.062 0.000 1.289 633 T HN 0.531 nan 8.240 nan 0.000 0.508 634 E N 1.253 121.536 120.200 0.137 0.000 2.233 634 E HA -0.295 4.047 4.350 -0.013 0.000 0.210 634 E C 1.864 178.402 176.600 -0.103 0.000 1.046 634 E CA 2.457 58.891 56.400 0.055 0.000 0.844 634 E CB -0.444 29.244 29.700 -0.020 0.000 0.741 634 E HN 0.655 nan 8.360 nan 0.000 0.465 635 A N 1.766 124.558 122.820 -0.047 0.000 1.849 635 A HA -0.273 4.040 4.320 -0.013 0.000 0.217 635 A C 1.899 179.438 177.584 -0.075 0.000 1.202 635 A CA 2.169 54.167 52.037 -0.065 0.000 0.629 635 A CB -0.872 18.112 19.000 -0.027 0.000 0.834 635 A HN 0.546 nan 8.150 nan 0.000 0.447 636 D N -0.591 119.770 120.400 -0.064 0.000 2.351 636 D HA 0.003 4.636 4.640 -0.013 0.000 0.216 636 D C 0.192 176.359 176.300 -0.222 0.000 0.968 636 D CA 0.531 54.432 54.000 -0.164 0.000 0.899 636 D CB -0.263 40.368 40.800 -0.282 0.000 0.907 636 D HN 0.204 nan 8.370 nan 0.000 0.514 637 V N 1.645 121.479 119.914 -0.133 0.000 2.407 637 V HA 0.050 4.162 4.120 -0.013 0.000 0.278 637 V C 0.423 176.479 176.094 -0.064 0.000 1.037 637 V CA -0.652 61.590 62.300 -0.097 0.000 0.900 637 V CB 1.637 33.480 31.823 0.035 0.000 0.983 637 V HN -0.010 nan 8.190 nan 0.000 0.459 638 S N 3.870 119.522 115.700 -0.079 0.000 2.599 638 S HA 0.022 4.485 4.470 -0.013 0.000 0.303 638 S C 1.562 176.156 174.600 -0.010 0.000 1.267 638 S CA 0.236 58.401 58.200 -0.058 0.000 1.055 638 S CB 0.867 64.029 63.200 -0.063 0.000 0.790 638 S HN 1.042 nan 8.310 nan 0.000 0.500 639 A N 4.210 127.016 122.820 -0.024 0.000 1.978 639 A HA -0.208 4.105 4.320 -0.013 0.000 0.220 639 A C 1.829 179.438 177.584 0.042 0.000 1.170 639 A CA 1.959 54.001 52.037 0.008 0.000 0.636 639 A CB -0.729 18.253 19.000 -0.029 0.000 0.810 639 A HN 0.838 nan 8.150 nan 0.000 0.448 640 N N 0.376 119.082 118.700 0.009 0.000 2.013 640 N HA -0.160 4.573 4.740 -0.013 0.000 0.195 640 N C 1.306 176.828 175.510 0.020 0.000 1.051 640 N CA 1.758 54.811 53.050 0.005 0.000 0.851 640 N CB -0.542 37.935 38.487 -0.017 0.000 1.044 640 N HN 0.363 nan 8.380 nan 0.000 0.422 641 I N 0.972 121.549 120.570 0.011 0.000 2.118 641 I HA -0.282 3.881 4.170 -0.013 0.000 0.241 641 I C 2.279 178.416 176.117 0.034 0.000 1.070 641 I CA 1.328 62.633 61.300 0.009 0.000 1.327 641 I CB -1.047 36.946 38.000 -0.012 0.000 1.034 641 I HN 0.365 nan 8.210 nan 0.000 0.405 642 H N 0.931 119.987 119.070 -0.022 0.000 2.325 642 H HA -0.230 4.319 4.556 -0.013 0.000 0.293 642 H C 2.062 177.390 175.328 -0.001 0.000 1.106 642 H CA 2.199 58.241 56.048 -0.011 0.000 1.247 642 H CB 0.132 29.882 29.762 -0.020 0.000 1.359 642 H HN 0.473 nan 8.280 nan 0.000 0.488 643 E N -0.290 119.941 120.200 0.050 0.000 2.204 643 E HA -0.114 4.228 4.350 -0.013 0.000 0.195 643 E C 2.406 179.007 176.600 0.002 0.000 0.990 643 E CA 0.810 57.214 56.400 0.006 0.000 0.821 643 E CB 0.178 29.886 29.700 0.015 0.000 0.750 643 E HN 0.267 nan 8.360 nan 0.000 0.477 644 V N 1.116 121.039 119.914 0.015 0.000 2.343 644 V HA -0.243 3.870 4.120 -0.013 0.000 0.247 644 V C 2.118 178.220 176.094 0.013 0.000 1.051 644 V CA 1.482 63.814 62.300 0.053 0.000 1.036 644 V CB -0.257 31.606 31.823 0.067 0.000 0.654 644 V HN 0.287 nan 8.190 nan 0.000 0.451 645 L N -1.614 119.576 121.223 -0.055 0.000 2.298 645 L HA 0.158 4.490 4.340 -0.013 0.000 0.209 645 L C 0.870 177.674 176.870 -0.110 0.000 1.084 645 L CA 0.566 55.353 54.840 -0.089 0.000 0.816 645 L CB -0.114 41.872 42.059 -0.121 0.000 0.967 645 L HN 0.283 nan 8.230 nan 0.000 0.460 646 M N -1.390 118.108 119.600 -0.170 0.000 2.716 646 M HA 0.443 4.916 4.480 -0.013 0.000 0.307 646 M C -0.944 175.357 176.300 0.003 0.000 1.223 646 M CA -0.361 54.872 55.300 -0.111 0.000 0.871 646 M CB 2.005 34.457 32.600 -0.247 0.000 1.739 646 M HN -0.100 nan 8.290 nan 0.000 0.475 647 H N -0.437 118.625 119.070 -0.013 0.000 2.865 647 H HA 0.675 5.224 4.556 -0.012 0.000 0.362 647 H C -1.388 173.966 175.328 0.044 0.000 1.114 647 H CA -0.223 55.836 56.048 0.019 0.000 1.208 647 H CB 2.021 31.787 29.762 0.007 0.000 1.727 647 H HN 0.831 nan 8.280 nan 0.000 0.534 648 G N 1.910 110.777 108.800 0.111 0.000 2.667 648 G HA2 0.519 4.471 3.960 -0.013 0.000 0.310 648 G HA3 0.519 4.471 3.960 -0.013 0.000 0.310 648 G C -0.910 174.141 174.900 0.250 0.000 1.259 648 G CA -0.501 44.714 45.100 0.192 0.000 1.019 648 G HN 0.411 nan 8.290 nan 0.000 0.496 649 V N 0.406 120.416 119.914 0.161 0.000 2.612 649 V HA 0.409 4.522 4.120 -0.013 0.000 0.301 649 V C 0.740 176.889 176.094 0.092 0.000 1.046 649 V CA -0.650 61.726 62.300 0.126 0.000 0.946 649 V CB 1.682 33.562 31.823 0.095 0.000 1.003 649 V HN 1.012 nan 8.190 nan 0.000 0.459 650 S N 2.745 118.492 115.700 0.078 0.000 2.563 650 S HA 0.033 4.495 4.470 -0.013 0.000 0.294 650 S C 1.166 175.799 174.600 0.055 0.000 1.279 650 S CA -0.413 57.822 58.200 0.058 0.000 1.069 650 S CB 0.719 63.950 63.200 0.051 0.000 0.828 650 S HN 0.539 nan 8.310 nan 0.000 0.497 651 V N 2.321 122.262 119.914 0.045 0.000 2.392 651 V HA -0.204 3.909 4.120 -0.013 0.000 0.249 651 V C 2.415 178.538 176.094 0.049 0.000 1.059 651 V CA 2.156 64.483 62.300 0.045 0.000 1.051 651 V CB -1.411 30.430 31.823 0.030 0.000 0.658 651 V HN 0.803 nan 8.190 nan 0.000 0.455 652 E N 0.878 121.103 120.200 0.042 0.000 2.070 652 E HA -0.214 4.128 4.350 -0.013 0.000 0.197 652 E C 2.184 178.819 176.600 0.058 0.000 1.004 652 E CA 1.502 57.927 56.400 0.042 0.000 0.805 652 E CB -0.423 29.297 29.700 0.034 0.000 0.744 652 E HN 0.604 nan 8.360 nan 0.000 0.451 653 K N -0.124 120.313 120.400 0.062 0.000 2.097 653 K HA -0.082 4.230 4.320 -0.013 0.000 0.205 653 K C 2.368 179.040 176.600 0.119 0.000 1.050 653 K CA 1.683 58.016 56.287 0.077 0.000 0.938 653 K CB -0.331 32.203 32.500 0.056 0.000 0.718 653 K HN 0.350 nan 8.250 nan 0.000 0.442 654 T N -0.874 113.748 114.554 0.114 0.000 2.812 654 T HA -0.159 4.184 4.350 -0.013 0.000 0.264 654 T C 1.908 176.725 174.700 0.195 0.000 1.042 654 T CA 1.140 63.345 62.100 0.174 0.000 1.140 654 T CB -0.143 68.804 68.868 0.132 0.000 0.870 654 T HN 0.276 nan 8.240 nan 0.000 0.445 655 E N 1.293 121.562 120.200 0.114 0.000 2.070 655 E HA -0.257 4.086 4.350 -0.013 0.000 0.197 655 E C 2.525 179.169 176.600 0.074 0.000 1.004 655 E CA 1.233 57.676 56.400 0.073 0.000 0.805 655 E CB -0.175 29.552 29.700 0.045 0.000 0.744 655 E HN 0.593 nan 8.360 nan 0.000 0.451 656 R N -0.532 120.025 120.500 0.095 0.000 2.081 656 R HA -0.171 4.161 4.340 -0.013 0.000 0.235 656 R C 2.296 178.669 176.300 0.121 0.000 1.131 656 R CA 1.514 57.666 56.100 0.087 0.000 0.960 656 R CB -0.475 29.877 30.300 0.087 0.000 0.856 656 R HN 0.252 nan 8.270 nan 0.000 0.436 657 F N 1.105 121.086 119.950 0.052 0.000 2.051 657 F HA -0.201 4.318 4.527 -0.013 0.000 0.296 657 F C 1.886 177.738 175.800 0.087 0.000 1.122 657 F CA 1.499 59.557 58.000 0.096 0.000 1.201 657 F CB -0.666 38.400 39.000 0.109 0.000 0.978 657 F HN 0.093 nan 8.300 nan 0.000 0.472 658 L N 0.877 122.098 121.223 -0.003 0.000 2.079 658 L HA -0.176 4.156 4.340 -0.013 0.000 0.210 658 L C 2.568 179.288 176.870 -0.249 0.000 1.081 658 L CA 1.764 56.493 54.840 -0.185 0.000 0.752 658 L CB -0.816 41.235 42.059 -0.013 0.000 0.896 658 L HN 0.137 nan 8.230 nan 0.000 0.433 659 R N -0.935 119.483 120.500 -0.136 0.000 2.127 659 R HA -0.138 4.194 4.340 -0.013 0.000 0.238 659 R C 2.334 178.542 176.300 -0.152 0.000 1.134 659 R CA 1.396 57.420 56.100 -0.126 0.000 0.975 659 R CB -0.200 30.064 30.300 -0.060 0.000 0.865 659 R HN 0.657 nan 8.270 nan 0.000 0.447 660 S N -1.462 114.149 115.700 -0.148 0.000 2.527 660 S HA 0.028 4.490 4.470 -0.013 0.000 0.222 660 S C 1.634 176.142 174.600 -0.154 0.000 0.985 660 S CA 0.347 58.511 58.200 -0.061 0.000 0.921 660 S CB 0.508 63.761 63.200 0.088 0.000 0.772 660 S HN 0.071 nan 8.310 nan 0.000 0.529 661 V N 1.345 120.990 119.914 -0.449 0.000 2.521 661 V HA 0.217 4.330 4.120 -0.013 0.000 0.239 661 V C 1.297 176.910 176.094 -0.802 0.000 1.053 661 V CA 0.538 62.394 62.300 -0.739 0.000 1.073 661 V CB -0.386 30.824 31.823 -1.022 0.000 0.746 661 V HN 0.438 nan 8.190 nan 0.000 0.476 662 M N 1.908 121.064 119.600 -0.739 0.000 2.245 662 M HA 0.031 4.504 4.480 -0.013 0.000 0.335 662 M C -0.985 174.960 176.300 -0.592 0.000 1.155 662 M CA -1.151 53.681 55.300 -0.779 0.000 1.055 662 M CB -0.211 32.118 32.600 -0.452 0.000 1.670 662 M HN 0.079 nan 8.290 nan 0.000 0.447 663 P HA -0.070 nan 4.420 nan 0.000 0.214 663 P C 0.508 177.693 177.300 -0.192 0.000 1.162 663 P CA 1.448 64.363 63.100 -0.309 0.000 0.874 663 P CB 0.524 32.105 31.700 -0.200 0.000 0.784 664 R N 0.000 120.398 120.500 -0.169 0.000 2.786 664 R HA 0.000 4.332 4.340 -0.013 0.000 0.208 664 R CA 0.000 56.035 56.100 -0.108 0.000 0.921 664 R CB 0.000 30.262 30.300 -0.063 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535