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 3fn9_1_D DATA FIRST_RESID 22 DATA SEQUENCE LARQVTAFNT GWQFKKGPFA TDPMRAASQW DGKWETVEIP HTWNAMDMQV DATA SEQUENCE QSGSFYEGAG YYRKTQFFPH DLEGKRVFLR FEGVGACAEV YVNGKLAGTH DATA SEQUENCE KGGYSAFACE IGTALKLGAE NEIIVKADNK ARPDVIPVNQ NLFGVYGGIY DATA SEQUENCE RPVWLIVTEQ NNITVTDCAS PGVYITQKDV SKKSADITVK VKLDNAGLQP DATA SEQUENCE AAVTLENTIY TQEGQKVGTH SRSFDLSPQG TQTYLSTFKL KNPHLWQGRK DATA SEQUENCE DPYLYKVVCR LMADGKVIDE VVQPLGVRKY EIVAGKGFFL NGEKYSMYGV DATA SEQUENCE TRHQDWWGLG SALKNEHHDF DLAAIMDVGA TTVRFAHYQQ SDYLYSRCDT DATA SEQUENCE LGLIIWAEIP CVNRVTGYET ENAQSQLREL IRQSFNHPSI YVWGLHNEVY DATA SEQUENCE QPHEYTAALT RSLHDLAKTE DPDRYTVSVN GYGHMDHPVN LNADIQGMNR DATA SEQUENCE YFGWYEKKIQ DIKPWVEQLE KDYPYQKLML TEYGADANLA HQTEYLGDAL DATA SEQUENCE NWGKPFYPET FQTKTHEYQW SIIKDHPYII ASYLWNMFDF AVPMWTRGGV DATA SEQUENCE PARNMKGLIT FDRKTKKDSY FWYKANWSEE PVLYLTQRRN ADREKRTTAV DATA SEQUENCE TVYSNIGTPK VYLNGQELSG IRNGYTDVHY VFDNVSLADG KNILKAVVST DATA SEQUENCE KGKEYTDEIE WNYSGE 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.864 176.870 -0.010 0.000 1.165 22 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 22 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 23 A N 3.420 126.234 122.820 -0.010 0.000 2.044 23 A HA 0.221 4.541 4.320 0.000 0.000 0.213 23 A C 1.159 178.744 177.584 0.001 0.000 1.169 23 A CA 0.330 52.366 52.037 -0.002 0.000 0.724 23 A CB 0.038 19.037 19.000 -0.003 0.000 0.840 23 A HN 0.565 nan 8.150 nan 0.000 0.463 24 R N 0.865 121.359 120.500 -0.009 0.000 2.441 24 R HA 0.331 4.672 4.340 0.000 0.000 0.284 24 R C -0.939 175.359 176.300 -0.003 0.000 1.070 24 R CA -0.174 55.922 56.100 -0.006 0.000 1.047 24 R CB 0.320 30.602 30.300 -0.030 0.000 1.016 24 R HN 0.421 nan 8.270 nan 0.000 0.477 25 Q N 2.667 122.478 119.800 0.018 0.000 2.307 25 Q HA 0.387 4.727 4.340 0.000 0.000 0.262 25 Q C -1.313 174.707 176.000 0.034 0.000 0.961 25 Q CA -0.806 55.014 55.803 0.029 0.000 0.882 25 Q CB 2.634 31.402 28.738 0.049 0.000 1.264 25 Q HN 0.331 nan 8.270 nan 0.000 0.446 26 V N 2.618 122.547 119.914 0.024 0.000 2.447 26 V HA 0.457 4.577 4.120 0.000 0.000 0.292 26 V C -0.344 175.838 176.094 0.148 0.000 1.021 26 V CA -0.567 61.746 62.300 0.022 0.000 0.850 26 V CB 1.687 33.425 31.823 -0.143 0.000 1.005 26 V HN 0.915 nan 8.190 nan 0.000 0.426 27 T N 1.856 116.581 114.554 0.286 0.000 2.900 27 T HA 0.831 5.181 4.350 0.000 0.000 0.295 27 T C -0.022 174.964 174.700 0.476 0.000 1.044 27 T CA -0.353 61.964 62.100 0.361 0.000 0.995 27 T CB 1.962 70.956 68.868 0.211 0.000 1.072 27 T HN 1.014 nan 8.240 nan 0.000 0.473 28 A N 1.797 124.802 122.820 0.308 0.000 2.540 28 A HA 0.484 4.804 4.320 0.000 0.000 0.239 28 A C -0.099 177.510 177.584 0.041 0.000 1.061 28 A CA -0.287 51.647 52.037 -0.171 0.000 0.758 28 A CB -0.589 18.249 19.000 -0.270 0.000 0.991 28 A HN 0.911 nan 8.150 nan 0.000 0.502 29 F N 1.778 121.587 119.950 -0.235 0.000 2.805 29 F HA 0.237 4.764 4.527 0.000 0.000 0.317 29 F C 0.897 176.751 175.800 0.090 0.000 1.146 29 F CA -0.607 57.362 58.000 -0.051 0.000 1.265 29 F CB 0.321 39.317 39.000 -0.006 0.000 0.992 29 F HN 0.659 nan 8.300 nan 0.000 0.511 30 N N -0.214 118.464 118.700 -0.036 0.000 2.398 30 N HA 0.004 4.744 4.740 0.000 0.000 0.188 30 N C 0.620 176.193 175.510 0.106 0.000 1.122 30 N CA 0.310 53.360 53.050 -0.000 0.000 0.866 30 N CB 0.319 38.706 38.487 -0.168 0.000 0.970 30 N HN 0.109 nan 8.380 nan 0.000 0.462 31 T N -0.816 113.732 114.554 -0.010 0.000 2.907 31 T HA 0.442 4.792 4.350 0.000 0.000 0.284 31 T C 0.794 175.414 174.700 -0.133 0.000 1.004 31 T CA 0.085 62.156 62.100 -0.049 0.000 1.063 31 T CB 1.060 69.857 68.868 -0.118 0.000 0.992 31 T HN 0.375 nan 8.240 nan 0.000 0.483 32 G N 2.604 111.367 108.800 -0.062 0.000 2.246 32 G HA2 -0.209 3.752 3.960 0.000 0.000 0.273 32 G HA3 -0.209 3.752 3.960 0.000 0.000 0.273 32 G C -0.235 174.568 174.900 -0.162 0.000 1.055 32 G CA -0.082 44.939 45.100 -0.132 0.000 0.851 32 G HN 0.605 nan 8.290 nan 0.000 0.500 33 W N -0.182 121.096 121.300 -0.037 0.000 2.381 33 W HA 0.687 5.347 4.660 0.000 0.000 0.329 33 W C 0.718 177.319 176.519 0.138 0.000 1.157 33 W CA -0.682 56.708 57.345 0.075 0.000 1.240 33 W CB 0.875 30.426 29.460 0.151 0.000 1.199 33 W HN 0.204 nan 8.180 nan 0.000 0.579 34 Q N 1.452 121.527 119.800 0.458 0.000 2.248 34 Q HA 0.594 4.934 4.340 0.000 0.000 0.263 34 Q C -1.535 174.880 176.000 0.691 0.000 1.007 34 Q CA -1.115 54.956 55.803 0.447 0.000 0.877 34 Q CB 2.537 31.450 28.738 0.290 0.000 1.315 34 Q HN 0.398 nan 8.270 nan 0.000 0.454 35 F N 1.200 121.351 119.950 0.335 0.000 2.569 35 F HA 0.529 5.056 4.527 0.000 0.000 0.312 35 F C -1.505 174.163 175.800 -0.221 0.000 1.109 35 F CA -0.828 57.188 58.000 0.027 0.000 0.919 35 F CB 1.583 40.467 39.000 -0.193 0.000 1.211 35 F HN 0.267 nan 8.300 nan 0.000 0.446 36 K N 5.506 125.090 120.400 -1.360 0.000 2.545 36 K HA 0.364 4.684 4.320 0.000 0.000 0.252 36 K C -1.349 174.411 176.600 -1.401 0.000 0.948 36 K CA -0.584 54.798 56.287 -1.508 0.000 0.827 36 K CB 1.338 32.630 32.500 -2.013 0.000 1.128 36 K HN 0.693 nan 8.250 nan 0.000 0.429 37 K N 2.444 122.014 120.400 -1.384 0.000 2.118 37 K HA 0.495 4.816 4.320 0.000 0.000 0.267 37 K C 0.218 176.169 176.600 -1.081 0.000 0.991 37 K CA -0.571 55.039 56.287 -1.129 0.000 0.916 37 K CB 1.050 32.998 32.500 -0.921 0.000 1.041 37 K HN 0.799 nan 8.250 nan 0.000 0.455 38 G N 2.536 110.592 108.800 -1.240 0.000 2.489 38 G HA2 0.238 4.198 3.960 0.000 0.000 0.271 38 G HA3 0.238 4.198 3.960 0.000 0.000 0.271 38 G C -2.300 171.899 174.900 -1.169 0.000 1.427 38 G CA -0.913 43.222 45.100 -1.608 0.000 1.057 38 G HN 0.514 nan 8.290 nan 0.000 0.532 39 P HA 0.304 nan 4.420 nan 0.000 0.272 39 P C -1.266 175.677 177.300 -0.595 0.000 1.240 39 P CA -0.064 62.807 63.100 -0.382 0.000 0.791 39 P CB 0.697 32.347 31.700 -0.082 0.000 0.978 40 F N -0.675 119.280 119.950 0.009 0.000 2.532 40 F HA 0.531 5.058 4.527 0.000 0.000 0.321 40 F C 0.813 176.618 175.800 0.007 0.000 1.089 40 F CA -0.926 57.076 58.000 0.003 0.000 0.926 40 F CB 1.223 40.255 39.000 0.053 0.000 1.168 40 F HN 0.300 nan 8.300 nan 0.000 0.459 41 A N 1.338 124.272 122.820 0.190 0.000 2.425 41 A HA 0.363 4.683 4.320 0.000 0.000 0.242 41 A C 1.002 178.641 177.584 0.092 0.000 1.077 41 A CA 0.043 52.140 52.037 0.099 0.000 0.781 41 A CB 0.006 19.045 19.000 0.065 0.000 1.020 41 A HN 0.892 nan 8.150 nan 0.000 0.494 42 T N 0.543 115.130 114.554 0.056 0.000 3.014 42 T HA -0.009 4.341 4.350 0.000 0.000 0.263 42 T C 0.591 175.304 174.700 0.020 0.000 1.078 42 T CA 1.296 63.419 62.100 0.040 0.000 1.135 42 T CB -0.328 68.557 68.868 0.029 0.000 0.895 42 T HN 0.838 nan 8.240 nan 0.000 0.480 43 D N 1.440 121.850 120.400 0.017 0.000 2.425 43 D HA 0.091 4.732 4.640 0.000 0.000 0.247 43 D C -1.666 174.633 176.300 -0.001 0.000 1.147 43 D CA -1.805 52.199 54.000 0.006 0.000 0.879 43 D CB 1.355 42.159 40.800 0.007 0.000 1.179 43 D HN -0.036 nan 8.370 nan 0.000 0.456 44 P HA -0.146 nan 4.420 nan 0.000 0.217 44 P C 1.577 178.863 177.300 -0.023 0.000 1.150 44 P CA 0.845 63.926 63.100 -0.032 0.000 0.832 44 P CB -0.005 31.669 31.700 -0.043 0.000 0.787 45 M N -0.727 118.865 119.600 -0.013 0.000 2.073 45 M HA -0.269 4.212 4.480 0.000 0.000 0.258 45 M C 2.151 178.455 176.300 0.007 0.000 1.070 45 M CA 2.048 57.345 55.300 -0.004 0.000 1.103 45 M CB -0.213 32.385 32.600 -0.002 0.000 1.321 45 M HN -0.203 nan 8.290 nan 0.000 0.405 46 R N -0.397 120.110 120.500 0.012 0.000 2.090 46 R HA -0.024 4.316 4.340 0.000 0.000 0.228 46 R C 2.303 178.629 176.300 0.044 0.000 1.110 46 R CA 1.160 57.275 56.100 0.026 0.000 0.973 46 R CB -0.451 29.864 30.300 0.024 0.000 0.869 46 R HN 0.543 nan 8.270 nan 0.000 0.440 47 A N 1.412 124.254 122.820 0.038 0.000 1.873 47 A HA -0.222 4.098 4.320 0.000 0.000 0.218 47 A C 2.373 179.984 177.584 0.046 0.000 1.193 47 A CA 2.009 54.071 52.037 0.043 0.000 0.629 47 A CB -0.945 18.049 19.000 -0.011 0.000 0.826 47 A HN 0.415 nan 8.150 nan 0.000 0.447 48 A N -0.638 122.189 122.820 0.012 0.000 1.986 48 A HA -0.119 4.201 4.320 0.000 0.000 0.220 48 A C 2.408 180.062 177.584 0.117 0.000 1.171 48 A CA 2.282 54.344 52.037 0.042 0.000 0.640 48 A CB -0.832 18.165 19.000 -0.005 0.000 0.811 48 A HN 0.510 nan 8.150 nan 0.000 0.451 49 S N -0.266 115.485 115.700 0.084 0.000 2.345 49 S HA -0.194 4.276 4.470 0.000 0.000 0.220 49 S C 2.090 176.751 174.600 0.102 0.000 1.031 49 S CA 1.426 59.674 58.200 0.081 0.000 0.996 49 S CB -0.398 62.832 63.200 0.049 0.000 0.882 49 S HN 0.741 nan 8.310 nan 0.000 0.445 50 Q N 0.015 119.881 119.800 0.110 0.000 2.077 50 Q HA -0.176 4.164 4.340 0.000 0.000 0.206 50 Q C 1.986 178.063 176.000 0.127 0.000 0.989 50 Q CA 1.387 57.257 55.803 0.111 0.000 0.853 50 Q CB -0.316 28.538 28.738 0.194 0.000 0.907 50 Q HN 0.681 nan 8.270 nan 0.000 0.418 51 W N 1.875 123.154 121.300 -0.035 0.000 2.350 51 W HA -0.203 4.457 4.660 0.000 0.000 0.289 51 W C 0.385 177.022 176.519 0.197 0.000 1.215 51 W CA 1.604 58.956 57.345 0.012 0.000 1.236 51 W CB 0.076 29.487 29.460 -0.081 0.000 1.130 51 W HN 0.204 nan 8.180 nan 0.000 0.541 52 D N -0.531 120.028 120.400 0.264 0.000 2.348 52 D HA 0.081 4.722 4.640 0.000 0.000 0.211 52 D C 1.460 177.833 176.300 0.122 0.000 0.998 52 D CA 0.667 54.774 54.000 0.179 0.000 0.873 52 D CB -0.200 40.687 40.800 0.144 0.000 0.925 52 D HN -0.007 nan 8.370 nan 0.000 0.524 53 G N 0.091 108.957 108.800 0.109 0.000 2.525 53 G HA2 0.099 4.059 3.960 0.000 0.000 0.276 53 G HA3 0.099 4.059 3.960 0.000 0.000 0.276 53 G C 0.006 174.985 174.900 0.131 0.000 1.388 53 G CA -0.502 44.640 45.100 0.069 0.000 1.050 53 G HN 0.013 nan 8.290 nan 0.000 0.520 54 K N -0.821 119.620 120.400 0.070 0.000 2.368 54 K HA 0.210 4.530 4.320 0.000 0.000 0.282 54 K C -1.227 175.455 176.600 0.137 0.000 1.035 54 K CA -0.232 56.118 56.287 0.106 0.000 0.973 54 K CB 0.278 32.798 32.500 0.033 0.000 0.957 54 K HN 0.347 nan 8.250 nan 0.000 0.474 55 W N 3.062 124.278 121.300 -0.139 0.000 2.496 55 W HA 0.289 4.949 4.660 0.000 0.000 0.327 55 W C 0.033 176.509 176.519 -0.072 0.000 1.086 55 W CA -0.804 56.452 57.345 -0.148 0.000 1.222 55 W CB 0.747 30.110 29.460 -0.163 0.000 1.304 55 W HN 0.604 nan 8.180 nan 0.000 0.547 56 E N 1.398 121.675 120.200 0.127 0.000 2.331 56 E HA 0.259 4.609 4.350 0.000 0.000 0.272 56 E C -0.053 176.660 176.600 0.187 0.000 1.036 56 E CA -0.323 56.155 56.400 0.130 0.000 0.864 56 E CB 1.118 30.887 29.700 0.116 0.000 1.035 56 E HN 0.348 nan 8.360 nan 0.000 0.408 57 T N 1.658 116.292 114.554 0.134 0.000 2.806 57 T HA 0.425 4.776 4.350 0.000 0.000 0.290 57 T C -0.620 174.140 174.700 0.100 0.000 0.966 57 T CA -0.609 61.566 62.100 0.126 0.000 1.060 57 T CB 0.926 69.842 68.868 0.080 0.000 0.927 57 T HN 0.219 nan 8.240 nan 0.000 0.485 58 V N 4.748 124.727 119.914 0.108 0.000 2.841 58 V HA 0.495 4.615 4.120 0.000 0.000 0.310 58 V C -0.357 175.767 176.094 0.050 0.000 1.090 58 V CA -0.942 61.366 62.300 0.014 0.000 0.930 58 V CB 2.154 33.886 31.823 -0.152 0.000 1.014 58 V HN 1.060 nan 8.190 nan 0.000 0.425 59 E N 5.149 125.361 120.200 0.019 0.000 2.214 59 E HA 0.555 4.905 4.350 0.000 0.000 0.274 59 E C -1.242 175.353 176.600 -0.008 0.000 0.977 59 E CA -0.770 55.644 56.400 0.022 0.000 0.827 59 E CB 2.211 31.914 29.700 0.005 0.000 1.130 59 E HN 0.390 nan 8.360 nan 0.000 0.394 60 I N 2.591 123.124 120.570 -0.061 0.000 2.396 60 I HA 0.251 4.421 4.170 0.000 0.000 0.292 60 I C -1.977 174.056 176.117 -0.139 0.000 0.999 60 I CA -2.783 58.432 61.300 -0.143 0.000 1.310 60 I CB 0.410 38.245 38.000 -0.276 0.000 1.404 60 I HN 0.441 nan 8.210 nan 0.000 0.496 61 P HA 0.195 nan 4.420 nan 0.000 0.275 61 P C -0.729 176.545 177.300 -0.044 0.000 1.228 61 P CA 0.228 63.243 63.100 -0.140 0.000 0.786 61 P CB 1.185 32.791 31.700 -0.156 0.000 0.927 62 H N -0.144 118.829 119.070 -0.162 0.000 2.928 62 H HA 0.609 5.165 4.556 0.000 0.000 0.371 62 H C -1.554 173.709 175.328 -0.109 0.000 1.186 62 H CA -0.510 55.470 56.048 -0.113 0.000 1.134 62 H CB 2.597 32.318 29.762 -0.068 0.000 1.824 62 H HN 0.453 nan 8.280 nan 0.000 0.554 63 T N 1.736 115.714 114.554 -0.960 0.000 2.885 63 T HA 0.202 4.552 4.350 0.000 0.000 0.322 63 T C -0.695 173.546 174.700 -0.765 0.000 1.387 63 T CA -0.446 61.169 62.100 -0.808 0.000 1.041 63 T CB 0.356 68.944 68.868 -0.467 0.000 1.287 63 T HN 0.710 nan 8.240 nan 0.000 0.491 64 W N 2.823 123.923 121.300 -0.334 0.000 3.290 64 W HA 0.379 5.039 4.660 0.000 0.000 0.287 64 W C 0.408 176.948 176.519 0.036 0.000 1.288 64 W CA -0.163 57.139 57.345 -0.073 0.000 1.725 64 W CB -0.745 28.817 29.460 0.170 0.000 1.103 64 W HN 0.579 nan 8.180 nan 0.000 0.670 65 N N 0.648 119.326 118.700 -0.037 0.000 2.273 65 N HA 0.282 5.022 4.740 0.000 0.000 0.231 65 N C 1.673 177.243 175.510 0.100 0.000 1.134 65 N CA 0.317 53.400 53.050 0.055 0.000 0.856 65 N CB 0.458 38.867 38.487 -0.130 0.000 1.068 65 N HN 0.194 nan 8.380 nan 0.000 0.510 66 A N 0.515 123.364 122.820 0.049 0.000 1.972 66 A HA -0.126 4.194 4.320 0.000 0.000 0.219 66 A C 2.067 179.621 177.584 -0.050 0.000 1.169 66 A CA 1.176 53.212 52.037 -0.001 0.000 0.635 66 A CB -0.218 18.716 19.000 -0.110 0.000 0.810 66 A HN 0.414 nan 8.150 nan 0.000 0.446 67 M N -0.467 119.121 119.600 -0.019 0.000 2.738 67 M HA 0.019 4.499 4.480 0.000 0.000 0.256 67 M C 1.438 177.756 176.300 0.030 0.000 1.253 67 M CA 1.542 56.817 55.300 -0.042 0.000 1.223 67 M CB 0.187 32.778 32.600 -0.016 0.000 1.263 67 M HN 0.336 nan 8.290 nan 0.000 0.521 68 D N 0.383 120.836 120.400 0.090 0.000 2.312 68 D HA -0.159 4.481 4.640 0.000 0.000 0.211 68 D C 1.639 178.020 176.300 0.134 0.000 0.964 68 D CA 1.221 55.306 54.000 0.142 0.000 0.877 68 D CB -0.563 40.362 40.800 0.208 0.000 0.924 68 D HN 0.448 nan 8.370 nan 0.000 0.515 69 M N -0.655 118.949 119.600 0.008 0.000 2.561 69 M HA 0.106 4.586 4.480 0.000 0.000 0.238 69 M C 1.322 177.593 176.300 -0.048 0.000 1.131 69 M CA 0.555 55.739 55.300 -0.194 0.000 1.046 69 M CB 0.316 32.575 32.600 -0.568 0.000 1.532 69 M HN 0.036 nan 8.290 nan 0.000 0.497 70 Q N -1.717 118.128 119.800 0.076 0.000 2.477 70 Q HA 0.092 4.432 4.340 0.000 0.000 0.252 70 Q C 1.766 177.927 176.000 0.268 0.000 0.869 70 Q CA 0.402 56.329 55.803 0.207 0.000 0.969 70 Q CB 0.634 29.487 28.738 0.193 0.000 1.144 70 Q HN 0.256 nan 8.270 nan 0.000 0.577 71 V N 1.915 121.940 119.914 0.185 0.000 2.871 71 V HA -0.103 4.017 4.120 0.000 0.000 0.256 71 V C 0.879 177.093 176.094 0.199 0.000 1.082 71 V CA 1.192 63.633 62.300 0.234 0.000 1.105 71 V CB -0.276 31.641 31.823 0.157 0.000 0.713 71 V HN 0.359 nan 8.190 nan 0.000 0.473 72 Q N -0.472 119.427 119.800 0.165 0.000 2.626 72 Q HA 0.576 4.917 4.340 0.000 0.000 0.300 72 Q C -0.947 175.137 176.000 0.140 0.000 0.988 72 Q CA -0.596 55.292 55.803 0.141 0.000 0.761 72 Q CB 2.210 31.020 28.738 0.121 0.000 1.494 72 Q HN 0.207 nan 8.270 nan 0.000 0.439 73 S N -1.647 114.126 115.700 0.123 0.000 2.689 73 S HA 0.696 5.166 4.470 0.000 0.000 0.306 73 S C 0.658 175.305 174.600 0.078 0.000 1.104 73 S CA -0.096 58.171 58.200 0.111 0.000 0.973 73 S CB 1.204 64.469 63.200 0.109 0.000 1.121 73 S HN 1.609 nan 8.310 nan 0.000 0.523 74 G N 0.046 108.870 108.800 0.039 0.000 2.390 74 G HA2 -0.141 3.820 3.960 0.000 0.000 0.299 74 G HA3 -0.141 3.820 3.960 0.000 0.000 0.299 74 G C 0.143 174.980 174.900 -0.105 0.000 1.002 74 G CA 0.447 45.504 45.100 -0.072 0.000 0.979 74 G HN 1.484 nan 8.290 nan 0.000 0.513 75 S N -0.919 114.751 115.700 -0.051 0.000 2.891 75 S HA 0.520 4.991 4.470 0.000 0.000 0.141 75 S C -0.580 174.054 174.600 0.057 0.000 0.993 75 S CA -0.286 57.873 58.200 -0.067 0.000 1.051 75 S CB -0.434 62.778 63.200 0.021 0.000 1.657 75 S HN 1.478 nan 8.310 nan 0.000 0.482 76 F N 0.376 120.329 119.950 0.005 0.000 2.608 76 F HA 0.666 5.193 4.527 0.000 0.000 0.309 76 F C -0.994 174.864 175.800 0.097 0.000 1.103 76 F CA -1.577 56.454 58.000 0.051 0.000 0.954 76 F CB 0.469 39.469 39.000 -0.000 0.000 1.267 76 F HN 0.241 nan 8.300 nan 0.000 0.444 77 Y N 2.545 122.974 120.300 0.214 0.000 2.526 77 Y HA 0.302 4.853 4.550 0.000 0.000 0.330 77 Y C 0.052 176.143 175.900 0.318 0.000 1.156 77 Y CA 0.000 58.182 58.100 0.136 0.000 1.419 77 Y CB 0.750 39.249 38.460 0.065 0.000 1.250 77 Y HN 0.850 nan 8.280 nan 0.000 0.540 78 E N 5.695 125.510 120.200 -0.642 0.000 2.923 78 E HA 0.524 4.874 4.350 0.000 0.000 0.266 78 E C -0.790 175.467 176.600 -0.572 0.000 1.157 78 E CA -0.097 56.119 56.400 -0.307 0.000 0.795 78 E CB -0.021 29.651 29.700 -0.047 0.000 1.454 78 E HN 0.950 nan 8.360 nan 0.000 0.386 79 G N 1.625 109.994 108.800 -0.718 0.000 2.635 79 G HA2 0.605 4.565 3.960 0.000 0.000 0.194 79 G HA3 0.605 4.565 3.960 0.000 0.000 0.194 79 G C -1.109 173.763 174.900 -0.047 0.000 1.198 79 G CA -0.134 44.750 45.100 -0.359 0.000 0.972 79 G HN 0.480 nan 8.290 nan 0.000 0.520 80 A N -1.111 121.748 122.820 0.065 0.000 2.293 80 A HA 0.880 5.200 4.320 0.000 0.000 0.302 80 A C 0.353 177.923 177.584 -0.024 0.000 1.119 80 A CA 0.339 52.441 52.037 0.108 0.000 0.823 80 A CB 0.998 20.118 19.000 0.199 0.000 1.097 80 A HN 2.119 nan 8.150 nan 0.000 0.491 81 G N -0.641 108.127 108.800 -0.053 0.000 2.733 81 G HA2 0.559 4.519 3.960 0.000 0.000 0.297 81 G HA3 0.559 4.519 3.960 0.000 0.000 0.297 81 G C -1.684 173.271 174.900 0.092 0.000 1.422 81 G CA -0.375 44.688 45.100 -0.062 0.000 0.942 81 G HN 0.531 nan 8.290 nan 0.000 0.510 82 Y N -0.310 120.042 120.300 0.086 0.000 2.446 82 Y HA 0.668 5.218 4.550 0.000 0.000 0.338 82 Y C -0.680 175.406 175.900 0.310 0.000 1.055 82 Y CA -0.551 57.715 58.100 0.277 0.000 1.101 82 Y CB 2.500 41.106 38.460 0.243 0.000 1.221 82 Y HN 0.499 nan 8.280 nan 0.000 0.460 83 Y N 1.379 122.163 120.300 0.806 0.000 2.425 83 Y HA 0.609 5.159 4.550 0.000 0.000 0.344 83 Y C -0.261 176.185 175.900 0.910 0.000 0.969 83 Y CA -1.097 57.500 58.100 0.827 0.000 1.052 83 Y CB 2.127 40.914 38.460 0.545 0.000 1.215 83 Y HN 0.435 nan 8.280 nan 0.000 0.451 84 R N 3.117 124.196 120.500 0.966 0.000 2.686 84 R HA 0.669 5.010 4.340 0.000 0.000 0.283 84 R C -1.753 174.679 176.300 0.219 0.000 0.978 84 R CA -0.890 55.510 56.100 0.500 0.000 0.897 84 R CB 1.811 32.096 30.300 -0.026 0.000 1.192 84 R HN 0.796 nan 8.270 nan 0.000 0.457 85 K N 1.730 122.076 120.400 -0.090 0.000 2.562 85 K HA 0.291 4.611 4.320 0.000 0.000 0.267 85 K C -1.938 174.505 176.600 -0.263 0.000 0.938 85 K CA -0.578 55.456 56.287 -0.422 0.000 0.840 85 K CB 2.439 34.182 32.500 -1.263 0.000 1.390 85 K HN 0.625 nan 8.250 nan 0.000 0.428 86 T N 1.022 115.433 114.554 -0.239 0.000 2.907 86 T HA 0.551 4.901 4.350 0.000 0.000 0.292 86 T C -1.722 172.894 174.700 -0.141 0.000 1.043 86 T CA -0.357 61.671 62.100 -0.120 0.000 1.003 86 T CB 1.806 70.627 68.868 -0.077 0.000 1.084 86 T HN 0.621 nan 8.240 nan 0.000 0.483 87 Q N 2.735 122.498 119.800 -0.063 0.000 2.430 87 Q HA 0.434 4.774 4.340 0.000 0.000 0.253 87 Q C -2.123 173.788 176.000 -0.148 0.000 0.945 87 Q CA -0.586 55.125 55.803 -0.154 0.000 0.964 87 Q CB 1.139 29.750 28.738 -0.212 0.000 1.460 87 Q HN 0.753 nan 8.270 nan 0.000 0.428 88 F N 4.297 124.077 119.950 -0.283 0.000 2.495 88 F HA 0.534 5.061 4.527 0.000 0.000 0.365 88 F C -1.070 174.487 175.800 -0.406 0.000 1.090 88 F CA 0.340 58.210 58.000 -0.217 0.000 1.235 88 F CB 0.416 39.326 39.000 -0.151 0.000 1.119 88 F HN 0.545 nan 8.300 nan 0.000 0.562 89 F N 7.443 126.995 119.950 -0.664 0.000 2.449 89 F HA 0.408 4.935 4.527 0.000 0.000 0.342 89 F C -2.051 173.279 175.800 -0.782 0.000 1.127 89 F CA -2.360 55.355 58.000 -0.474 0.000 0.975 89 F CB 1.065 39.885 39.000 -0.299 0.000 1.146 89 F HN 0.326 nan 8.300 nan 0.000 0.444 90 P HA 0.125 nan 4.420 nan 0.000 0.274 90 P C 0.081 177.310 177.300 -0.118 0.000 1.256 90 P CA -0.048 62.997 63.100 -0.091 0.000 0.795 90 P CB 1.148 32.938 31.700 0.149 0.000 1.038 91 H N -0.568 118.531 119.070 0.048 0.000 2.470 91 H HA -0.090 4.467 4.556 0.000 0.000 0.289 91 H C 1.200 176.543 175.328 0.026 0.000 1.033 91 H CA 1.343 57.407 56.048 0.025 0.000 1.331 91 H CB -0.189 29.595 29.762 0.038 0.000 1.414 91 H HN 0.489 nan 8.280 nan 0.000 0.545 92 D N 0.629 121.116 120.400 0.145 0.000 2.407 92 D HA -0.118 4.522 4.640 0.000 0.000 0.234 92 D C 1.156 177.496 176.300 0.066 0.000 1.029 92 D CA 0.434 54.490 54.000 0.095 0.000 0.937 92 D CB -0.410 40.441 40.800 0.084 0.000 0.882 92 D HN 0.431 nan 8.370 nan 0.000 0.531 93 L N -0.650 120.606 121.223 0.056 0.000 2.607 93 L HA 0.131 4.472 4.340 0.000 0.000 0.228 93 L C 0.808 177.684 176.870 0.009 0.000 1.123 93 L CA -0.331 54.525 54.840 0.028 0.000 0.890 93 L CB -0.106 41.964 42.059 0.018 0.000 1.103 93 L HN -0.146 nan 8.230 nan 0.000 0.468 94 E N 0.862 121.081 120.200 0.033 0.000 2.529 94 E HA 0.104 4.455 4.350 0.000 0.000 0.259 94 E C 1.264 177.870 176.600 0.010 0.000 0.966 94 E CA 0.893 57.308 56.400 0.025 0.000 0.937 94 E CB 0.408 30.136 29.700 0.047 0.000 0.923 94 E HN 0.307 nan 8.360 nan 0.000 0.468 95 G N 3.834 112.632 108.800 -0.003 0.000 2.196 95 G HA2 -0.304 3.656 3.960 0.000 0.000 0.268 95 G HA3 -0.304 3.656 3.960 0.000 0.000 0.268 95 G C 0.230 175.128 174.900 -0.004 0.000 0.975 95 G CA 0.815 45.913 45.100 -0.003 0.000 0.648 95 G HN 0.448 nan 8.290 nan 0.000 0.538 96 K N -0.090 120.304 120.400 -0.011 0.000 2.109 96 K HA 0.579 4.899 4.320 0.000 0.000 0.243 96 K C 0.537 177.109 176.600 -0.047 0.000 1.006 96 K CA -0.586 55.695 56.287 -0.010 0.000 0.917 96 K CB 0.939 33.438 32.500 -0.002 0.000 1.081 96 K HN 0.285 nan 8.250 nan 0.000 0.468 97 R N 0.500 120.974 120.500 -0.044 0.000 2.445 97 R HA 0.425 4.766 4.340 0.000 0.000 0.308 97 R C -0.649 175.489 176.300 -0.270 0.000 0.961 97 R CA -0.754 55.245 56.100 -0.169 0.000 0.862 97 R CB 1.565 31.819 30.300 -0.076 0.000 1.144 97 R HN 0.213 nan 8.270 nan 0.000 0.447 98 V N 3.709 123.325 119.914 -0.496 0.000 2.581 98 V HA 0.579 4.699 4.120 0.000 0.000 0.303 98 V C -0.689 174.964 176.094 -0.735 0.000 1.041 98 V CA -0.618 61.428 62.300 -0.422 0.000 0.907 98 V CB 1.369 33.000 31.823 -0.320 0.000 0.994 98 V HN 0.550 nan 8.190 nan 0.000 0.442 99 F N 2.892 122.790 119.950 -0.087 0.000 2.588 99 F HA 0.624 5.151 4.527 0.000 0.000 0.310 99 F C -0.377 175.346 175.800 -0.129 0.000 1.082 99 F CA -0.645 57.309 58.000 -0.076 0.000 0.929 99 F CB 1.905 40.876 39.000 -0.048 0.000 1.254 99 F HN 0.150 nan 8.300 nan 0.000 0.455 100 L N 3.044 124.317 121.223 0.083 0.000 2.313 100 L HA 0.587 4.927 4.340 0.000 0.000 0.283 100 L C -0.456 176.358 176.870 -0.092 0.000 1.013 100 L CA -0.654 54.120 54.840 -0.109 0.000 0.816 100 L CB 1.956 43.951 42.059 -0.106 0.000 1.236 100 L HN 0.586 nan 8.230 nan 0.000 0.419 101 R N 3.361 123.735 120.500 -0.210 0.000 2.337 101 R HA 0.448 4.788 4.340 0.000 0.000 0.319 101 R C -1.489 174.597 176.300 -0.356 0.000 0.954 101 R CA -0.502 55.496 56.100 -0.170 0.000 0.840 101 R CB 0.885 31.164 30.300 -0.035 0.000 1.164 101 R HN 0.324 nan 8.270 nan 0.000 0.472 102 F N 2.956 122.601 119.950 -0.509 0.000 2.391 102 F HA 0.217 4.744 4.527 0.000 0.000 0.359 102 F C 1.417 176.948 175.800 -0.448 0.000 1.122 102 F CA -0.386 57.258 58.000 -0.594 0.000 1.120 102 F CB 1.639 39.968 39.000 -1.117 0.000 1.142 102 F HN 0.577 nan 8.300 nan 0.000 0.483 103 E N 2.388 122.532 120.200 -0.093 0.000 2.077 103 E HA -0.000 4.350 4.350 0.000 0.000 0.193 103 E C 0.850 177.379 176.600 -0.119 0.000 0.989 103 E CA 0.897 57.260 56.400 -0.062 0.000 0.800 103 E CB 0.152 29.838 29.700 -0.024 0.000 0.746 103 E HN 0.776 nan 8.360 nan 0.000 0.452 104 G N -0.494 108.179 108.800 -0.211 0.000 2.768 104 G HA2 0.457 4.417 3.960 0.000 0.000 0.297 104 G HA3 0.457 4.417 3.960 0.000 0.000 0.297 104 G C -1.579 173.162 174.900 -0.265 0.000 1.430 104 G CA -0.546 44.384 45.100 -0.283 0.000 1.030 104 G HN -0.009 nan 8.290 nan 0.000 0.553 105 V N 0.368 120.292 119.914 0.017 0.000 2.777 105 V HA 0.830 4.950 4.120 0.000 0.000 0.306 105 V C 0.394 176.579 176.094 0.151 0.000 1.112 105 V CA -0.305 62.053 62.300 0.097 0.000 0.917 105 V CB 2.221 34.116 31.823 0.120 0.000 1.018 105 V HN 1.248 nan 8.190 nan 0.000 0.426 106 G N 1.751 110.618 108.800 0.111 0.000 2.422 106 G HA2 0.635 4.596 3.960 0.000 0.000 0.317 106 G HA3 0.635 4.596 3.960 0.000 0.000 0.317 106 G C 0.293 175.190 174.900 -0.005 0.000 1.210 106 G CA 0.365 45.438 45.100 -0.045 0.000 0.930 106 G HN 1.067 nan 8.290 nan 0.000 0.468 107 A N 1.315 124.160 122.820 0.043 0.000 2.026 107 A HA 0.389 4.709 4.320 0.000 0.000 0.198 107 A C 0.956 178.568 177.584 0.046 0.000 1.390 107 A CA 0.507 52.551 52.037 0.011 0.000 0.915 107 A CB 0.106 19.107 19.000 0.001 0.000 0.974 107 A HN 0.639 nan 8.150 nan 0.000 0.477 108 C N 0.003 119.333 119.300 0.050 0.000 2.397 108 C HA 0.868 5.328 4.460 0.000 0.000 0.343 108 C C 0.513 175.514 174.990 0.019 0.000 1.188 108 C CA -0.136 58.889 59.018 0.010 0.000 1.992 108 C CB 0.947 28.691 27.740 0.006 0.000 2.358 108 C HN 0.684 nan 8.230 nan 0.000 0.518 109 A N 1.973 124.754 122.820 -0.065 0.000 2.572 109 A HA 0.860 5.181 4.320 0.000 0.000 0.295 109 A C -1.445 176.071 177.584 -0.115 0.000 1.072 109 A CA -0.561 51.433 52.037 -0.073 0.000 0.691 109 A CB 1.189 20.105 19.000 -0.140 0.000 1.291 109 A HN 0.858 nan 8.150 nan 0.000 0.404 110 E N 0.279 120.456 120.200 -0.038 0.000 2.290 110 E HA 0.508 4.858 4.350 0.000 0.000 0.274 110 E C -1.095 175.456 176.600 -0.082 0.000 0.889 110 E CA -0.969 55.365 56.400 -0.109 0.000 0.760 110 E CB 2.423 32.082 29.700 -0.070 0.000 1.206 110 E HN 0.866 nan 8.360 nan 0.000 0.419 111 V N 0.165 119.986 119.914 -0.155 0.000 2.459 111 V HA 0.607 4.727 4.120 0.000 0.000 0.295 111 V C -1.301 174.705 176.094 -0.147 0.000 1.029 111 V CA -0.484 61.842 62.300 0.043 0.000 0.874 111 V CB 0.332 32.292 31.823 0.228 0.000 0.985 111 V HN 0.604 nan 8.190 nan 0.000 0.438 112 Y N 3.624 124.092 120.300 0.280 0.000 2.393 112 Y HA 0.712 5.262 4.550 0.000 0.000 0.341 112 Y C 0.117 176.149 175.900 0.220 0.000 0.988 112 Y CA -0.855 57.378 58.100 0.222 0.000 1.078 112 Y CB 2.297 40.888 38.460 0.218 0.000 1.203 112 Y HN 0.787 nan 8.280 nan 0.000 0.453 113 V N 3.057 123.138 119.914 0.279 0.000 2.444 113 V HA 0.436 4.557 4.120 0.000 0.000 0.294 113 V C -0.246 175.937 176.094 0.147 0.000 1.022 113 V CA -0.969 61.447 62.300 0.192 0.000 0.850 113 V CB 1.198 33.082 31.823 0.102 0.000 0.992 113 V HN 0.972 nan 8.190 nan 0.000 0.426 114 N N 4.619 123.401 118.700 0.136 0.000 2.708 114 N HA -0.239 4.502 4.740 0.000 0.000 0.251 114 N C 1.257 176.834 175.510 0.112 0.000 1.017 114 N CA 1.652 54.763 53.050 0.102 0.000 0.742 114 N CB -1.198 37.323 38.487 0.056 0.000 0.943 114 N HN 1.954 nan 8.380 nan 0.000 0.539 115 G N -1.245 107.654 108.800 0.165 0.000 2.304 115 G HA2 -0.382 3.579 3.960 0.000 0.000 0.252 115 G HA3 -0.382 3.579 3.960 0.000 0.000 0.252 115 G C 0.147 175.193 174.900 0.244 0.000 1.014 115 G CA 0.810 45.995 45.100 0.142 0.000 0.619 115 G HN 0.508 nan 8.290 nan 0.000 0.525 116 K N 0.616 121.147 120.400 0.217 0.000 2.339 116 K HA 0.494 4.814 4.320 0.000 0.000 0.286 116 K C 0.377 177.121 176.600 0.241 0.000 1.050 116 K CA -0.676 55.730 56.287 0.198 0.000 0.956 116 K CB 1.162 33.724 32.500 0.104 0.000 0.990 116 K HN 0.239 nan 8.250 nan 0.000 0.475 117 L N 3.591 124.944 121.223 0.215 0.000 2.534 117 L HA -0.011 4.329 4.340 0.000 0.000 0.271 117 L C 0.656 177.506 176.870 -0.033 0.000 1.178 117 L CA 0.884 55.700 54.840 -0.040 0.000 0.907 117 L CB 0.619 42.664 42.059 -0.022 0.000 1.164 117 L HN 0.841 nan 8.230 nan 0.000 0.482 118 A N 3.690 126.470 122.820 -0.066 0.000 1.993 118 A HA 0.683 5.004 4.320 0.000 0.000 0.207 118 A C 0.834 178.439 177.584 0.035 0.000 1.224 118 A CA 0.695 52.744 52.037 0.020 0.000 0.749 118 A CB -0.178 18.869 19.000 0.078 0.000 0.884 118 A HN 0.906 nan 8.150 nan 0.000 0.467 119 G N -1.457 107.341 108.800 -0.003 0.000 2.579 119 G HA2 0.520 4.480 3.960 0.000 0.000 0.292 119 G HA3 0.520 4.480 3.960 0.000 0.000 0.292 119 G C -0.859 174.001 174.900 -0.066 0.000 1.484 119 G CA 0.252 45.369 45.100 0.027 0.000 0.813 119 G HN 0.807 nan 8.290 nan 0.000 0.515 120 T N -1.682 112.820 114.554 -0.087 0.000 2.896 120 T HA 0.794 5.144 4.350 0.000 0.000 0.297 120 T C -1.204 173.379 174.700 -0.195 0.000 1.108 120 T CA -0.828 61.176 62.100 -0.160 0.000 1.004 120 T CB 2.447 71.250 68.868 -0.108 0.000 1.159 120 T HN 0.961 nan 8.240 nan 0.000 0.499 121 H N 0.493 119.311 119.070 -0.420 0.000 2.996 121 H HA 0.459 5.015 4.556 0.000 0.000 0.368 121 H C -1.549 173.621 175.328 -0.264 0.000 1.185 121 H CA -0.733 55.047 56.048 -0.446 0.000 1.160 121 H CB 2.131 31.299 29.762 -0.990 0.000 1.820 121 H HN 0.690 nan 8.280 nan 0.000 0.547 122 K N 1.768 121.709 120.400 -0.766 0.000 2.345 122 K HA 0.524 4.845 4.320 0.000 0.000 0.255 122 K C -0.814 175.499 176.600 -0.477 0.000 0.934 122 K CA -0.553 55.481 56.287 -0.422 0.000 0.801 122 K CB 2.388 34.754 32.500 -0.223 0.000 1.137 122 K HN 0.881 nan 8.250 nan 0.000 0.424 123 G N 0.831 109.580 108.800 -0.085 0.000 3.306 123 G HA2 -0.041 3.919 3.960 0.000 0.000 0.672 123 G HA3 -0.041 3.919 3.960 0.000 0.000 0.672 123 G C 0.206 175.251 174.900 0.241 0.000 1.212 123 G CA -0.604 44.577 45.100 0.136 0.000 1.150 123 G HN 0.755 nan 8.290 nan 0.000 0.509 124 G N 0.250 109.072 108.800 0.036 0.000 3.279 124 G HA2 0.377 4.337 3.960 0.000 0.000 0.230 124 G HA3 0.377 4.337 3.960 0.000 0.000 0.230 124 G C 0.531 175.173 174.900 -0.430 0.000 1.230 124 G CA 0.706 45.689 45.100 -0.195 0.000 0.891 124 G HN 0.766 nan 8.290 nan 0.000 0.518 125 Y N -0.089 120.394 120.300 0.305 0.000 2.666 125 Y HA 0.242 4.792 4.550 0.000 0.000 0.260 125 Y C 0.969 177.019 175.900 0.249 0.000 1.089 125 Y CA -0.647 57.624 58.100 0.287 0.000 1.246 125 Y CB 0.310 38.942 38.460 0.286 0.000 1.353 125 Y HN 0.212 nan 8.280 nan 0.000 0.558 126 S N 0.239 116.156 115.700 0.361 0.000 2.568 126 S HA 0.885 5.355 4.470 0.000 0.000 0.302 126 S C 0.049 174.730 174.600 0.135 0.000 1.082 126 S CA -0.740 57.623 58.200 0.271 0.000 1.009 126 S CB 2.193 65.594 63.200 0.334 0.000 1.069 126 S HN 0.207 nan 8.310 nan 0.000 0.500 127 A N 1.187 124.072 122.820 0.109 0.000 2.327 127 A HA 0.793 5.114 4.320 0.000 0.000 0.255 127 A C -0.248 177.396 177.584 0.100 0.000 1.099 127 A CA -0.476 51.586 52.037 0.041 0.000 0.801 127 A CB -0.367 18.650 19.000 0.028 0.000 1.062 127 A HN 1.566 nan 8.150 nan 0.000 0.496 128 F N -3.562 116.354 119.950 -0.057 0.000 2.703 128 F HA 0.737 5.264 4.527 0.000 0.000 0.308 128 F C -0.497 175.389 175.800 0.144 0.000 1.126 128 F CA -0.634 57.357 58.000 -0.015 0.000 0.959 128 F CB 0.920 39.827 39.000 -0.154 0.000 1.297 128 F HN 0.905 nan 8.300 nan 0.000 0.441 129 A N 0.660 123.625 122.820 0.242 0.000 2.469 129 A HA 0.961 5.281 4.320 0.000 0.000 0.299 129 A C -1.243 176.534 177.584 0.321 0.000 1.098 129 A CA -0.514 51.642 52.037 0.198 0.000 0.737 129 A CB 1.329 20.379 19.000 0.084 0.000 1.312 129 A HN 1.682 nan 8.150 nan 0.000 0.414 130 C N -0.382 119.118 119.300 0.333 0.000 3.086 130 C HA 0.696 5.156 4.460 0.000 0.000 0.311 130 C C -0.320 174.853 174.990 0.304 0.000 1.260 130 C CA -0.869 58.336 59.018 0.311 0.000 1.426 130 C CB 0.752 28.648 27.740 0.260 0.000 1.826 130 C HN 0.964 nan 8.230 nan 0.000 0.474 131 E N 0.947 121.275 120.200 0.214 0.000 2.257 131 E HA 0.315 4.666 4.350 0.000 0.000 0.278 131 E C 0.711 177.210 176.600 -0.169 0.000 1.049 131 E CA -0.106 56.182 56.400 -0.187 0.000 0.876 131 E CB 0.537 30.123 29.700 -0.189 0.000 1.035 131 E HN 0.755 nan 8.360 nan 0.000 0.419 132 I N 1.575 121.990 120.570 -0.259 0.000 4.187 132 I HA 0.288 4.458 4.170 0.000 0.000 0.326 132 I C 1.674 177.627 176.117 -0.274 0.000 1.302 132 I CA 0.092 61.275 61.300 -0.194 0.000 1.196 132 I CB 0.145 38.044 38.000 -0.168 0.000 1.095 132 I HN 0.640 nan 8.210 nan 0.000 0.411 133 G N 2.919 111.500 108.800 -0.366 0.000 2.808 133 G HA2 -0.479 3.481 3.960 0.000 0.000 0.225 133 G HA3 -0.479 3.481 3.960 0.000 0.000 0.225 133 G C 1.576 176.331 174.900 -0.242 0.000 1.210 133 G CA 2.721 47.619 45.100 -0.336 0.000 0.777 133 G HN 0.589 nan 8.290 nan 0.000 0.640 134 T N -1.818 112.625 114.554 -0.184 0.000 3.227 134 T HA 0.507 4.857 4.350 0.000 0.000 0.257 134 T C 1.620 176.260 174.700 -0.100 0.000 1.162 134 T CA 1.407 63.435 62.100 -0.120 0.000 1.051 134 T CB 0.139 68.956 68.868 -0.084 0.000 0.953 134 T HN 0.691 nan 8.240 nan 0.000 0.535 135 A N 0.306 123.052 122.820 -0.124 0.000 2.469 135 A HA 0.573 4.893 4.320 0.000 0.000 0.245 135 A C 0.672 178.186 177.584 -0.117 0.000 1.221 135 A CA -0.501 51.484 52.037 -0.087 0.000 0.946 135 A CB 0.234 19.204 19.000 -0.050 0.000 1.049 135 A HN 0.519 nan 8.150 nan 0.000 0.529 136 L N 0.784 121.886 121.223 -0.201 0.000 2.418 136 L HA 0.260 4.600 4.340 0.000 0.000 0.265 136 L C -0.224 176.546 176.870 -0.167 0.000 1.143 136 L CA -0.286 54.399 54.840 -0.258 0.000 0.809 136 L CB 1.050 42.811 42.059 -0.496 0.000 1.124 136 L HN 0.206 nan 8.230 nan 0.000 0.456 137 K N 4.107 124.429 120.400 -0.130 0.000 2.300 137 K HA 0.452 4.772 4.320 0.000 0.000 0.264 137 K C -0.745 175.757 176.600 -0.164 0.000 1.083 137 K CA -0.364 55.861 56.287 -0.103 0.000 0.958 137 K CB 0.620 33.086 32.500 -0.057 0.000 1.318 137 K HN 0.379 nan 8.250 nan 0.000 0.448 138 L N 1.205 122.313 121.223 -0.192 0.000 2.482 138 L HA 0.065 4.405 4.340 0.000 0.000 0.273 138 L C 1.517 178.014 176.870 -0.621 0.000 1.228 138 L CA 0.602 55.245 54.840 -0.328 0.000 0.827 138 L CB -0.034 41.893 42.059 -0.219 0.000 1.099 138 L HN 1.019 nan 8.230 nan 0.000 0.494 139 G N 0.567 108.807 108.800 -0.934 0.000 2.189 139 G HA2 -0.203 3.757 3.960 0.000 0.000 0.267 139 G HA3 -0.203 3.757 3.960 0.000 0.000 0.267 139 G C 0.132 174.748 174.900 -0.473 0.000 0.975 139 G CA 0.336 44.895 45.100 -0.902 0.000 0.644 139 G HN 1.085 nan 8.290 nan 0.000 0.537 140 A N -0.968 121.488 122.820 -0.606 0.000 2.443 140 A HA 0.866 5.186 4.320 0.000 0.000 0.278 140 A C -0.224 177.211 177.584 -0.248 0.000 1.252 140 A CA -0.349 51.551 52.037 -0.228 0.000 0.816 140 A CB 1.041 19.988 19.000 -0.088 0.000 1.369 140 A HN 0.295 nan 8.150 nan 0.000 0.446 141 E N 0.732 120.965 120.200 0.056 0.000 2.231 141 E HA 0.358 4.709 4.350 0.000 0.000 0.277 141 E C -1.005 175.644 176.600 0.082 0.000 0.999 141 E CA -0.475 55.985 56.400 0.101 0.000 0.827 141 E CB 1.002 30.785 29.700 0.139 0.000 1.101 141 E HN 0.564 nan 8.360 nan 0.000 0.393 142 N N 2.293 121.079 118.700 0.144 0.000 2.238 142 N HA 0.150 4.890 4.740 0.000 0.000 0.302 142 N C -1.212 174.387 175.510 0.149 0.000 1.072 142 N CA -0.535 52.612 53.050 0.163 0.000 0.792 142 N CB 2.213 40.841 38.487 0.236 0.000 1.425 142 N HN 0.461 nan 8.380 nan 0.000 0.478 143 E N 2.425 122.695 120.200 0.117 0.000 2.134 143 E HA 0.300 4.651 4.350 0.000 0.000 0.278 143 E C -0.792 175.912 176.600 0.174 0.000 0.959 143 E CA -0.632 55.831 56.400 0.106 0.000 0.783 143 E CB 0.595 30.345 29.700 0.083 0.000 1.095 143 E HN 0.336 nan 8.360 nan 0.000 0.399 144 I N 5.817 126.495 120.570 0.181 0.000 2.392 144 I HA 0.414 4.584 4.170 0.000 0.000 0.295 144 I C 0.066 176.432 176.117 0.413 0.000 0.985 144 I CA -0.829 60.656 61.300 0.308 0.000 1.221 144 I CB 0.987 39.190 38.000 0.339 0.000 1.366 144 I HN 0.631 nan 8.210 nan 0.000 0.467 145 I N 5.548 126.458 120.570 0.567 0.000 2.619 145 I HA 0.425 4.595 4.170 0.000 0.000 0.292 145 I C -0.882 175.690 176.117 0.758 0.000 1.100 145 I CA -0.830 60.893 61.300 0.705 0.000 1.043 145 I CB 2.650 41.047 38.000 0.662 0.000 1.239 145 I HN 0.078 nan 8.210 nan 0.000 0.420 146 V N 5.554 125.941 119.914 0.787 0.000 2.409 146 V HA 0.365 4.486 4.120 0.000 0.000 0.291 146 V C 0.054 176.485 176.094 0.561 0.000 1.020 146 V CA -0.867 61.780 62.300 0.578 0.000 0.848 146 V CB 1.759 33.813 31.823 0.385 0.000 0.990 146 V HN 0.545 nan 8.190 nan 0.000 0.430 147 K N 3.567 124.204 120.400 0.395 0.000 2.276 147 K HA 0.687 5.007 4.320 0.000 0.000 0.285 147 K C -0.223 176.466 176.600 0.150 0.000 1.062 147 K CA 0.030 56.358 56.287 0.069 0.000 0.918 147 K CB 1.444 33.986 32.500 0.070 0.000 1.055 147 K HN 0.864 nan 8.250 nan 0.000 0.477 148 A N 3.782 126.739 122.820 0.230 0.000 2.350 148 A HA 0.464 4.784 4.320 0.000 0.000 0.324 148 A C -1.078 176.732 177.584 0.376 0.000 1.118 148 A CA -0.638 51.614 52.037 0.359 0.000 0.783 148 A CB 1.087 20.453 19.000 0.610 0.000 1.236 148 A HN 0.683 nan 8.150 nan 0.000 0.457 149 D N 1.126 121.711 120.400 0.309 0.000 2.890 149 D HA 0.182 4.822 4.640 0.000 0.000 0.233 149 D C -0.793 175.647 176.300 0.232 0.000 1.306 149 D CA -0.309 53.856 54.000 0.275 0.000 0.929 149 D CB 1.347 42.232 40.800 0.141 0.000 1.512 149 D HN 0.522 nan 8.370 nan 0.000 0.568 150 N N 2.956 121.825 118.700 0.283 0.000 2.234 150 N HA 0.036 4.776 4.740 0.000 0.000 0.227 150 N C 0.095 175.654 175.510 0.082 0.000 1.151 150 N CA -0.391 52.747 53.050 0.147 0.000 0.865 150 N CB 0.352 38.903 38.487 0.107 0.000 1.066 150 N HN 0.236 nan 8.380 nan 0.000 0.515 151 K N 1.156 121.586 120.400 0.050 0.000 2.448 151 K HA 0.300 4.620 4.320 0.000 0.000 0.278 151 K C -0.079 176.532 176.600 0.018 0.000 1.009 151 K CA -0.312 55.977 56.287 0.004 0.000 0.995 151 K CB 0.565 33.047 32.500 -0.030 0.000 0.917 151 K HN 0.241 nan 8.250 nan 0.000 0.481 152 A N 4.713 127.542 122.820 0.015 0.000 2.477 152 A HA 0.201 4.521 4.320 0.000 0.000 0.246 152 A C -0.596 177.000 177.584 0.020 0.000 1.078 152 A CA -0.065 51.984 52.037 0.020 0.000 0.770 152 A CB 0.197 19.206 19.000 0.016 0.000 1.011 152 A HN 0.838 nan 8.150 nan 0.000 0.494 153 R N 2.612 123.131 120.500 0.031 0.000 2.807 153 R HA 0.515 4.856 4.340 0.000 0.000 0.276 153 R C -2.484 173.849 176.300 0.055 0.000 0.979 153 R CA -1.846 54.273 56.100 0.032 0.000 0.928 153 R CB 0.900 31.214 30.300 0.023 0.000 1.191 153 R HN 0.373 nan 8.270 nan 0.000 0.471 154 P HA -0.084 nan 4.420 nan 0.000 0.242 154 P C -0.311 177.086 177.300 0.162 0.000 1.197 154 P CA 0.908 64.083 63.100 0.125 0.000 0.765 154 P CB 0.168 31.976 31.700 0.179 0.000 0.936 155 D N -1.660 118.807 120.400 0.112 0.000 2.433 155 D HA 0.069 4.709 4.640 0.000 0.000 0.211 155 D C -0.009 176.348 176.300 0.094 0.000 1.114 155 D CA -0.183 53.890 54.000 0.122 0.000 0.837 155 D CB 0.248 41.090 40.800 0.070 0.000 0.984 155 D HN -0.046 nan 8.370 nan 0.000 0.505 156 V N 2.168 122.134 119.914 0.085 0.000 2.638 156 V HA 0.373 4.493 4.120 0.000 0.000 0.306 156 V C 0.189 176.347 176.094 0.107 0.000 1.052 156 V CA -1.176 61.172 62.300 0.079 0.000 0.885 156 V CB 2.183 34.036 31.823 0.050 0.000 0.999 156 V HN 0.157 nan 8.190 nan 0.000 0.424 157 I N 2.963 123.614 120.570 0.134 0.000 2.499 157 I HA 0.663 4.833 4.170 0.000 0.000 0.296 157 I C -2.325 173.932 176.117 0.234 0.000 0.992 157 I CA -2.266 59.136 61.300 0.170 0.000 1.297 157 I CB 1.764 39.873 38.000 0.182 0.000 1.410 157 I HN 0.390 nan 8.210 nan 0.000 0.507 158 P HA 0.017 nan 4.420 nan 0.000 0.275 158 P C 0.802 178.156 177.300 0.089 0.000 1.228 158 P CA -0.326 62.875 63.100 0.168 0.000 0.786 158 P CB 1.799 33.580 31.700 0.135 0.000 0.927 159 V N -0.560 119.397 119.914 0.072 0.000 3.217 159 V HA -0.033 4.087 4.120 0.000 0.000 0.264 159 V C 0.443 176.554 176.094 0.028 0.000 1.135 159 V CA 1.232 63.567 62.300 0.058 0.000 1.142 159 V CB -1.725 30.139 31.823 0.070 0.000 0.754 159 V HN 0.713 nan 8.190 nan 0.000 0.484 160 N N -1.301 117.396 118.700 -0.006 0.000 3.204 160 N HA 0.345 5.085 4.740 0.000 0.000 0.285 160 N C -0.379 175.069 175.510 -0.103 0.000 1.536 160 N CA -0.815 52.221 53.050 -0.023 0.000 0.832 160 N CB 0.584 39.077 38.487 0.009 0.000 1.645 160 N HN -0.028 nan 8.380 nan 0.000 0.586 161 Q N -0.547 119.199 119.800 -0.090 0.000 2.186 161 Q HA 0.323 4.663 4.340 0.000 0.000 0.241 161 Q C -0.207 175.699 176.000 -0.157 0.000 0.849 161 Q CA -0.165 55.529 55.803 -0.181 0.000 1.053 161 Q CB -0.299 28.400 28.738 -0.064 0.000 1.146 161 Q HN 0.633 nan 8.270 nan 0.000 0.475 162 N N 0.239 118.899 118.700 -0.068 0.000 2.124 162 N HA -0.082 4.658 4.740 0.000 0.000 0.189 162 N C 1.281 176.927 175.510 0.227 0.000 1.050 162 N CA 0.436 53.560 53.050 0.123 0.000 0.848 162 N CB 0.201 38.829 38.487 0.235 0.000 1.027 162 N HN 0.042 nan 8.380 nan 0.000 0.435 163 L N 0.513 121.867 121.223 0.217 0.000 2.089 163 L HA -0.075 4.265 4.340 0.000 0.000 0.213 163 L C 0.351 177.600 176.870 0.632 0.000 1.079 163 L CA 1.634 56.739 54.840 0.443 0.000 0.758 163 L CB -1.387 40.996 42.059 0.540 0.000 0.891 163 L HN 0.261 nan 8.230 nan 0.000 0.433 164 F N -4.263 115.849 119.950 0.271 0.000 2.799 164 F HA 0.604 5.131 4.527 0.000 0.000 0.316 164 F C -0.080 175.764 175.800 0.073 0.000 1.155 164 F CA -1.311 56.825 58.000 0.227 0.000 0.916 164 F CB 0.541 39.755 39.000 0.357 0.000 1.294 164 F HN -0.241 nan 8.300 nan 0.000 0.447 165 G N 0.525 109.299 108.800 -0.045 0.000 2.388 165 G HA2 0.555 4.516 3.960 0.000 0.000 0.330 165 G HA3 0.555 4.516 3.960 0.000 0.000 0.330 165 G C -1.435 173.365 174.900 -0.167 0.000 1.142 165 G CA -1.076 43.813 45.100 -0.351 0.000 0.908 165 G HN 0.761 nan 8.290 nan 0.000 0.473 166 V N 3.321 123.137 119.914 -0.164 0.000 2.276 166 V HA 0.073 4.193 4.120 0.000 0.000 0.249 166 V C -0.341 175.616 176.094 -0.228 0.000 1.160 166 V CA -0.849 61.422 62.300 -0.047 0.000 1.042 166 V CB -1.621 30.182 31.823 -0.032 0.000 1.224 166 V HN 0.520 nan 8.190 nan 0.000 0.496 167 Y N 2.190 122.283 120.300 -0.346 0.000 2.969 167 Y HA 0.205 4.755 4.550 0.000 0.000 0.339 167 Y C 1.454 176.962 175.900 -0.654 0.000 1.272 167 Y CA 1.041 58.851 58.100 -0.483 0.000 1.577 167 Y CB 0.088 38.251 38.460 -0.496 0.000 1.234 167 Y HN 0.628 nan 8.280 nan 0.000 0.590 168 G N 1.122 109.476 108.800 -0.744 0.000 2.507 168 G HA2 0.527 4.487 3.960 0.000 0.000 0.271 168 G HA3 0.527 4.487 3.960 0.000 0.000 0.271 168 G C 0.277 174.296 174.900 -1.469 0.000 1.189 168 G CA 0.120 44.477 45.100 -1.238 0.000 0.859 168 G HN 1.160 nan 8.290 nan 0.000 0.542 169 G N -0.585 107.638 108.800 -0.960 0.000 2.549 169 G HA2 -0.106 3.854 3.960 0.000 0.000 0.404 169 G HA3 -0.106 3.854 3.960 0.000 0.000 0.404 169 G C -0.225 174.645 174.900 -0.050 0.000 1.292 169 G CA -0.427 44.522 45.100 -0.253 0.000 0.935 169 G HN 0.997 nan 8.290 nan 0.000 0.512 170 I N 1.922 122.400 120.570 -0.154 0.000 2.224 170 I HA 0.226 4.397 4.170 0.000 0.000 0.293 170 I C 1.090 177.082 176.117 -0.209 0.000 1.155 170 I CA -0.262 60.857 61.300 -0.301 0.000 1.297 170 I CB -0.226 37.354 38.000 -0.700 0.000 1.487 170 I HN 0.590 nan 8.210 nan 0.000 0.564 171 Y N 3.797 123.955 120.300 -0.237 0.000 2.468 171 Y HA 0.473 5.023 4.550 0.000 0.000 0.268 171 Y C 0.480 176.277 175.900 -0.172 0.000 1.177 171 Y CA -0.757 57.206 58.100 -0.228 0.000 1.265 171 Y CB -0.019 38.287 38.460 -0.257 0.000 1.103 171 Y HN 0.234 nan 8.280 nan 0.000 0.522 172 R N 0.419 120.574 120.500 -0.575 0.000 2.867 172 R HA 0.468 4.808 4.340 0.000 0.000 0.268 172 R C -2.935 173.179 176.300 -0.310 0.000 1.014 172 R CA -2.334 53.518 56.100 -0.414 0.000 0.946 172 R CB 1.258 31.281 30.300 -0.462 0.000 1.208 172 R HN -0.053 nan 8.270 nan 0.000 0.477 173 P HA 0.075 nan 4.420 nan 0.000 0.272 173 P C -0.870 176.154 177.300 -0.460 0.000 1.223 173 P CA -0.310 62.552 63.100 -0.397 0.000 0.784 173 P CB 0.610 32.028 31.700 -0.470 0.000 0.923 174 V N 1.620 121.203 119.914 -0.551 0.000 2.581 174 V HA 0.460 4.580 4.120 0.000 0.000 0.303 174 V C -0.696 175.067 176.094 -0.552 0.000 1.041 174 V CA -0.461 61.533 62.300 -0.509 0.000 0.907 174 V CB 1.242 32.829 31.823 -0.392 0.000 0.994 174 V HN 0.564 nan 8.190 nan 0.000 0.442 175 W N 3.312 124.493 121.300 -0.199 0.000 2.761 175 W HA 0.715 5.375 4.660 0.000 0.000 0.340 175 W C -0.667 175.734 176.519 -0.197 0.000 1.072 175 W CA -0.751 56.528 57.345 -0.110 0.000 1.215 175 W CB 1.702 31.097 29.460 -0.108 0.000 1.420 175 W HN 0.371 nan 8.180 nan 0.000 0.519 176 L N 4.382 125.670 121.223 0.107 0.000 2.275 176 L HA 0.599 4.940 4.340 0.000 0.000 0.288 176 L C -0.745 176.175 176.870 0.084 0.000 1.046 176 L CA -0.707 54.092 54.840 -0.068 0.000 0.805 176 L CB 0.235 42.236 42.059 -0.097 0.000 1.193 176 L HN 0.328 nan 8.230 nan 0.000 0.426 177 I N 5.914 126.536 120.570 0.087 0.000 2.447 177 I HA 0.404 4.575 4.170 0.000 0.000 0.287 177 I C -0.899 175.340 176.117 0.202 0.000 1.023 177 I CA -0.810 60.565 61.300 0.125 0.000 1.083 177 I CB 1.889 39.937 38.000 0.080 0.000 1.245 177 I HN 0.216 nan 8.210 nan 0.000 0.434 178 V N 4.811 124.808 119.914 0.139 0.000 2.513 178 V HA 0.674 4.794 4.120 0.000 0.000 0.299 178 V C 0.273 176.445 176.094 0.130 0.000 1.035 178 V CA -0.310 62.068 62.300 0.131 0.000 0.889 178 V CB 1.804 33.677 31.823 0.083 0.000 0.988 178 V HN 0.914 nan 8.190 nan 0.000 0.440 179 T N 0.708 115.355 114.554 0.155 0.000 2.804 179 T HA 0.609 4.959 4.350 0.000 0.000 0.290 179 T C -0.572 174.180 174.700 0.087 0.000 1.099 179 T CA -0.900 61.272 62.100 0.119 0.000 1.011 179 T CB 2.169 71.126 68.868 0.149 0.000 1.291 179 T HN 0.449 nan 8.240 nan 0.000 0.523 180 E N 0.374 120.612 120.200 0.063 0.000 2.385 180 E HA 0.178 4.529 4.350 0.000 0.000 0.254 180 E C 1.107 177.740 176.600 0.055 0.000 1.228 180 E CA -0.431 55.995 56.400 0.044 0.000 0.956 180 E CB 0.669 30.384 29.700 0.027 0.000 1.116 180 E HN 0.833 nan 8.360 nan 0.000 0.507 181 Q N 0.262 120.084 119.800 0.037 0.000 2.124 181 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 181 Q C -0.266 175.765 176.000 0.053 0.000 0.977 181 Q CA 1.400 57.226 55.803 0.039 0.000 0.850 181 Q CB 0.087 28.840 28.738 0.024 0.000 0.901 181 Q HN 0.341 nan 8.270 nan 0.000 0.429 182 N N 0.960 119.685 118.700 0.042 0.000 2.421 182 N HA 0.304 5.044 4.740 0.000 0.000 0.285 182 N C -1.407 174.130 175.510 0.044 0.000 1.027 182 N CA -0.533 52.544 53.050 0.044 0.000 0.918 182 N CB 1.096 39.596 38.487 0.023 0.000 1.152 182 N HN 0.296 nan 8.380 nan 0.000 0.485 183 N N 0.710 119.443 118.700 0.054 0.000 2.825 183 N HA 0.355 5.095 4.740 0.000 0.000 0.253 183 N C -1.520 174.006 175.510 0.028 0.000 1.426 183 N CA -0.716 52.356 53.050 0.037 0.000 0.851 183 N CB 0.734 39.252 38.487 0.051 0.000 1.470 183 N HN 0.258 nan 8.380 nan 0.000 0.517 184 I N 0.749 121.320 120.570 0.001 0.000 2.517 184 I HA 0.067 4.237 4.170 0.000 0.000 0.285 184 I C 1.026 177.112 176.117 -0.050 0.000 1.106 184 I CA -0.155 61.139 61.300 -0.009 0.000 1.402 184 I CB 0.609 38.593 38.000 -0.027 0.000 1.399 184 I HN 0.589 nan 8.210 nan 0.000 0.535 185 T N 5.611 120.148 114.554 -0.028 0.000 2.923 185 T HA -0.005 4.345 4.350 0.000 0.000 0.304 185 T C 0.825 175.427 174.700 -0.163 0.000 1.044 185 T CA 0.027 62.092 62.100 -0.060 0.000 1.141 185 T CB 0.553 69.418 68.868 -0.005 0.000 1.023 185 T HN 0.519 nan 8.240 nan 0.000 0.533 186 V N 3.280 123.001 119.914 -0.322 0.000 3.483 186 V HA 0.352 4.472 4.120 0.000 0.000 0.301 186 V C 1.061 176.981 176.094 -0.291 0.000 1.389 186 V CA 0.820 62.870 62.300 -0.417 0.000 1.101 186 V CB -0.014 31.381 31.823 -0.714 0.000 0.971 186 V HN 1.014 nan 8.190 nan 0.000 0.434 187 T N -2.660 111.805 114.554 -0.148 0.000 3.374 187 T HA 0.317 4.667 4.350 0.000 0.000 0.267 187 T C -0.163 174.556 174.700 0.032 0.000 0.996 187 T CA 0.019 62.110 62.100 -0.015 0.000 0.977 187 T CB -0.067 68.852 68.868 0.085 0.000 1.149 187 T HN 0.340 nan 8.240 nan 0.000 0.517 188 D N 1.118 121.529 120.400 0.018 0.000 2.522 188 D HA 0.263 4.903 4.640 0.000 0.000 0.218 188 D C 0.609 176.959 176.300 0.082 0.000 1.149 188 D CA -0.647 53.390 54.000 0.061 0.000 0.981 188 D CB -0.790 40.065 40.800 0.091 0.000 1.041 188 D HN 0.508 nan 8.370 nan 0.000 0.518 189 C N 3.237 122.593 119.300 0.093 0.000 4.274 189 C HA -0.162 4.298 4.460 0.000 0.000 0.297 189 C C 1.499 176.554 174.990 0.109 0.000 1.446 189 C CA 0.437 59.526 59.018 0.117 0.000 2.016 189 C CB -2.677 25.129 27.740 0.110 0.000 1.273 189 C HN 1.004 nan 8.230 nan 0.000 0.782 190 A N -1.198 121.669 122.820 0.079 0.000 2.816 190 A HA -0.142 4.178 4.320 0.000 0.000 0.270 190 A C 0.964 178.551 177.584 0.006 0.000 1.413 190 A CA 1.792 53.853 52.037 0.039 0.000 0.866 190 A CB -1.986 17.059 19.000 0.075 0.000 1.032 190 A HN 2.388 nan 8.150 nan 0.000 0.642 191 S N -1.094 114.609 115.700 0.005 0.000 2.617 191 S HA 0.544 5.014 4.470 0.000 0.000 0.259 191 S C -0.933 173.582 174.600 -0.141 0.000 1.301 191 S CA -0.382 57.788 58.200 -0.049 0.000 0.984 191 S CB 0.478 63.654 63.200 -0.039 0.000 0.954 191 S HN 0.159 nan 8.310 nan 0.000 0.572 192 P HA 0.197 nan 4.420 nan 0.000 0.234 192 P C 0.970 178.122 177.300 -0.246 0.000 1.167 192 P CA 1.197 64.165 63.100 -0.219 0.000 0.763 192 P CB -0.451 31.115 31.700 -0.224 0.000 0.835 193 G N -1.781 106.830 108.800 -0.316 0.000 2.159 193 G HA2 -0.200 3.761 3.960 0.000 0.000 0.256 193 G HA3 -0.200 3.761 3.960 0.000 0.000 0.256 193 G C 0.030 174.754 174.900 -0.293 0.000 0.977 193 G CA -0.015 44.943 45.100 -0.236 0.000 0.652 193 G HN 0.349 nan 8.290 nan 0.000 0.531 194 V N 0.109 119.713 119.914 -0.517 0.000 2.638 194 V HA 0.682 4.802 4.120 0.000 0.000 0.306 194 V C -0.847 174.899 176.094 -0.580 0.000 1.052 194 V CA -1.093 60.993 62.300 -0.357 0.000 0.885 194 V CB 1.728 33.449 31.823 -0.170 0.000 0.999 194 V HN 0.251 nan 8.190 nan 0.000 0.424 195 Y N 4.561 124.811 120.300 -0.084 0.000 2.326 195 Y HA 0.679 5.229 4.550 0.000 0.000 0.329 195 Y C -0.095 175.837 175.900 0.053 0.000 0.973 195 Y CA -0.607 57.412 58.100 -0.135 0.000 1.162 195 Y CB 1.697 39.848 38.460 -0.515 0.000 1.147 195 Y HN 0.469 nan 8.280 nan 0.000 0.456 196 I N 3.616 124.390 120.570 0.340 0.000 2.392 196 I HA 0.590 4.761 4.170 0.000 0.000 0.295 196 I C -0.010 176.302 176.117 0.324 0.000 0.985 196 I CA -0.352 61.097 61.300 0.248 0.000 1.221 196 I CB 1.817 39.891 38.000 0.124 0.000 1.366 196 I HN 0.652 nan 8.210 nan 0.000 0.467 197 T N 2.317 116.996 114.554 0.207 0.000 2.901 197 T HA 0.729 5.079 4.350 0.000 0.000 0.293 197 T C -1.073 173.661 174.700 0.055 0.000 1.084 197 T CA -0.958 61.232 62.100 0.149 0.000 1.008 197 T CB 2.027 71.002 68.868 0.179 0.000 1.170 197 T HN 0.654 nan 8.240 nan 0.000 0.509 198 Q N 0.267 120.072 119.800 0.008 0.000 2.340 198 Q HA 0.688 5.028 4.340 0.000 0.000 0.276 198 Q C -1.776 174.206 176.000 -0.031 0.000 1.048 198 Q CA -1.123 54.670 55.803 -0.018 0.000 0.832 198 Q CB 2.762 31.474 28.738 -0.045 0.000 1.373 198 Q HN 0.719 nan 8.270 nan 0.000 0.409 199 K N 0.842 121.225 120.400 -0.028 0.000 2.469 199 K HA 0.250 4.570 4.320 0.000 0.000 0.254 199 K C -1.288 175.292 176.600 -0.033 0.000 0.939 199 K CA -0.528 55.740 56.287 -0.032 0.000 0.812 199 K CB 1.315 33.800 32.500 -0.024 0.000 1.301 199 K HN 0.769 nan 8.250 nan 0.000 0.433 200 D N 0.983 121.361 120.400 -0.037 0.000 2.737 200 D HA -0.142 4.498 4.640 0.000 0.000 0.238 200 D C -0.672 175.609 176.300 -0.031 0.000 1.157 200 D CA 0.631 54.611 54.000 -0.033 0.000 0.694 200 D CB -1.161 39.623 40.800 -0.027 0.000 1.021 200 D HN 0.069 nan 8.370 nan 0.000 0.420 201 V N 0.679 120.571 119.914 -0.036 0.000 2.465 201 V HA 0.580 4.700 4.120 0.000 0.000 0.279 201 V C 0.796 176.877 176.094 -0.022 0.000 1.045 201 V CA 0.112 62.394 62.300 -0.030 0.000 0.938 201 V CB 1.810 33.608 31.823 -0.042 0.000 0.986 201 V HN 0.529 nan 8.190 nan 0.000 0.467 202 S N 2.968 118.661 115.700 -0.011 0.000 2.661 202 S HA 0.411 4.881 4.470 0.000 0.000 0.268 202 S C 0.442 175.043 174.600 0.000 0.000 1.162 202 S CA -0.882 57.315 58.200 -0.006 0.000 0.817 202 S CB 1.611 64.804 63.200 -0.011 0.000 1.141 202 S HN 0.488 nan 8.310 nan 0.000 0.477 203 K N 0.833 121.232 120.400 -0.002 0.000 2.173 203 K HA -0.167 4.153 4.320 0.000 0.000 0.207 203 K C 1.495 178.089 176.600 -0.010 0.000 1.046 203 K CA 1.800 58.082 56.287 -0.009 0.000 0.929 203 K CB -0.231 32.261 32.500 -0.013 0.000 0.720 203 K HN 0.563 nan 8.250 nan 0.000 0.453 204 K N -0.774 119.622 120.400 -0.008 0.000 2.121 204 K HA 0.029 4.349 4.320 0.000 0.000 0.203 204 K C 1.370 177.968 176.600 -0.004 0.000 1.041 204 K CA 0.844 57.127 56.287 -0.008 0.000 0.969 204 K CB 0.428 32.922 32.500 -0.009 0.000 0.799 204 K HN 0.115 nan 8.250 nan 0.000 0.456 205 S N -0.276 115.421 115.700 -0.005 0.000 2.819 205 S HA 0.762 5.233 4.470 0.000 0.000 0.299 205 S C -1.720 172.874 174.600 -0.009 0.000 1.192 205 S CA -0.469 57.729 58.200 -0.004 0.000 0.847 205 S CB 2.035 65.233 63.200 -0.004 0.000 1.224 205 S HN 0.293 nan 8.310 nan 0.000 0.537 206 A N 0.772 123.584 122.820 -0.013 0.000 2.549 206 A HA 0.528 4.849 4.320 0.000 0.000 0.306 206 A C -2.120 175.454 177.584 -0.017 0.000 1.053 206 A CA -0.700 51.325 52.037 -0.020 0.000 0.892 206 A CB 0.711 19.694 19.000 -0.027 0.000 1.329 206 A HN 0.693 nan 8.150 nan 0.000 0.388 207 D N 3.028 123.421 120.400 -0.012 0.000 2.313 207 D HA 0.404 5.044 4.640 0.000 0.000 0.239 207 D C -0.032 176.274 176.300 0.010 0.000 1.142 207 D CA 0.062 54.063 54.000 0.002 0.000 0.847 207 D CB 1.252 42.047 40.800 -0.009 0.000 1.082 207 D HN 0.332 nan 8.370 nan 0.000 0.480 208 I N 1.845 122.442 120.570 0.045 0.000 2.385 208 I HA 0.205 4.375 4.170 0.000 0.000 0.294 208 I C 0.896 177.075 176.117 0.103 0.000 0.988 208 I CA -0.455 60.885 61.300 0.068 0.000 1.265 208 I CB 1.104 39.151 38.000 0.078 0.000 1.388 208 I HN 0.066 nan 8.210 nan 0.000 0.480 209 T N 5.437 120.041 114.554 0.083 0.000 2.807 209 T HA 0.585 4.935 4.350 0.000 0.000 0.279 209 T C -0.301 174.467 174.700 0.113 0.000 0.993 209 T CA -0.448 61.695 62.100 0.071 0.000 0.970 209 T CB 1.907 70.794 68.868 0.032 0.000 0.950 209 T HN 0.245 nan 8.240 nan 0.000 0.441 210 V N 4.287 124.274 119.914 0.122 0.000 2.378 210 V HA 0.493 4.613 4.120 0.000 0.000 0.288 210 V C 0.043 176.200 176.094 0.104 0.000 1.016 210 V CA -0.847 61.537 62.300 0.139 0.000 0.840 210 V CB 1.451 33.400 31.823 0.209 0.000 0.994 210 V HN 0.705 nan 8.190 nan 0.000 0.431 211 K N 4.605 125.070 120.400 0.108 0.000 2.274 211 K HA 0.778 5.098 4.320 0.000 0.000 0.262 211 K C -1.578 175.103 176.600 0.136 0.000 0.961 211 K CA -0.379 55.969 56.287 0.101 0.000 0.833 211 K CB 2.002 34.541 32.500 0.065 0.000 1.102 211 K HN 0.475 nan 8.250 nan 0.000 0.436 212 V N 3.599 123.599 119.914 0.142 0.000 2.735 212 V HA 0.401 4.521 4.120 0.000 0.000 0.310 212 V C -0.744 175.446 176.094 0.160 0.000 1.061 212 V CA -1.031 61.351 62.300 0.137 0.000 0.913 212 V CB 1.857 33.766 31.823 0.143 0.000 1.005 212 V HN 0.737 nan 8.190 nan 0.000 0.428 213 K N 3.944 124.420 120.400 0.126 0.000 2.265 213 K HA 0.735 5.056 4.320 0.000 0.000 0.267 213 K C -1.320 175.352 176.600 0.121 0.000 0.994 213 K CA -0.351 56.010 56.287 0.124 0.000 0.860 213 K CB 1.581 34.145 32.500 0.106 0.000 1.099 213 K HN 0.497 nan 8.250 nan 0.000 0.448 214 L N 1.952 123.278 121.223 0.172 0.000 2.342 214 L HA 0.486 4.826 4.340 0.000 0.000 0.271 214 L C -0.854 176.102 176.870 0.143 0.000 1.008 214 L CA -0.808 54.130 54.840 0.164 0.000 0.818 214 L CB 2.012 44.210 42.059 0.232 0.000 1.296 214 L HN 0.606 nan 8.230 nan 0.000 0.427 215 D N 0.797 121.266 120.400 0.114 0.000 2.896 215 D HA 0.258 4.898 4.640 0.000 0.000 0.241 215 D C -1.120 175.239 176.300 0.098 0.000 1.188 215 D CA -0.423 53.639 54.000 0.103 0.000 0.879 215 D CB 1.496 42.351 40.800 0.091 0.000 1.553 215 D HN 0.358 nan 8.370 nan 0.000 0.515 216 N N 2.732 121.488 118.700 0.093 0.000 2.706 216 N HA 0.384 5.124 4.740 0.000 0.000 0.240 216 N C -0.075 175.474 175.510 0.065 0.000 1.039 216 N CA -0.539 52.557 53.050 0.078 0.000 0.888 216 N CB 1.248 39.785 38.487 0.083 0.000 1.128 216 N HN 0.376 nan 8.380 nan 0.000 0.512 217 A N 1.927 124.784 122.820 0.062 0.000 2.239 217 A HA 0.251 4.571 4.320 0.000 0.000 0.209 217 A C 1.178 178.782 177.584 0.034 0.000 1.171 217 A CA 0.589 52.656 52.037 0.050 0.000 0.768 217 A CB -0.612 18.419 19.000 0.051 0.000 0.790 217 A HN 0.596 nan 8.150 nan 0.000 0.478 218 G N -1.402 107.418 108.800 0.033 0.000 2.535 218 G HA2 0.420 4.380 3.960 0.000 0.000 0.282 218 G HA3 0.420 4.380 3.960 0.000 0.000 0.282 218 G C 0.510 175.425 174.900 0.025 0.000 1.350 218 G CA -0.532 44.583 45.100 0.024 0.000 1.039 218 G HN 0.213 nan 8.290 nan 0.000 0.509 219 L N -0.445 120.790 121.223 0.020 0.000 2.640 219 L HA 0.274 4.614 4.340 0.000 0.000 0.230 219 L C 0.446 177.329 176.870 0.022 0.000 1.123 219 L CA 0.255 55.106 54.840 0.020 0.000 0.900 219 L CB -0.050 42.018 42.059 0.014 0.000 1.146 219 L HN 0.279 nan 8.230 nan 0.000 0.484 220 Q N -0.141 119.673 119.800 0.024 0.000 2.456 220 Q HA 0.455 4.795 4.340 0.000 0.000 0.283 220 Q C -2.578 173.441 176.000 0.032 0.000 1.084 220 Q CA -2.061 53.757 55.803 0.025 0.000 0.801 220 Q CB 1.910 30.659 28.738 0.018 0.000 1.434 220 Q HN -0.220 nan 8.270 nan 0.000 0.419 221 P HA 0.168 nan 4.420 nan 0.000 0.268 221 P C -1.304 176.017 177.300 0.035 0.000 1.205 221 P CA 0.064 63.194 63.100 0.050 0.000 0.771 221 P CB 0.456 32.189 31.700 0.054 0.000 0.858 222 A N 2.541 125.382 122.820 0.036 0.000 2.331 222 A HA 0.684 5.004 4.320 0.000 0.000 0.320 222 A C -0.208 177.357 177.584 -0.031 0.000 1.138 222 A CA -0.776 51.262 52.037 0.003 0.000 0.790 222 A CB 1.022 20.021 19.000 -0.001 0.000 1.206 222 A HN 0.534 nan 8.150 nan 0.000 0.470 223 A N 1.919 124.705 122.820 -0.057 0.000 2.409 223 A HA 0.595 4.915 4.320 0.000 0.000 0.267 223 A C 0.321 177.794 177.584 -0.184 0.000 1.127 223 A CA 0.322 52.294 52.037 -0.109 0.000 0.795 223 A CB -0.393 18.561 19.000 -0.076 0.000 1.061 223 A HN 2.172 nan 8.150 nan 0.000 0.502 224 V N -0.250 119.456 119.914 -0.345 0.000 3.202 224 V HA 0.917 5.037 4.120 0.000 0.000 0.306 224 V C -0.353 175.410 176.094 -0.552 0.000 1.283 224 V CA -0.649 61.410 62.300 -0.401 0.000 1.065 224 V CB 1.579 33.148 31.823 -0.424 0.000 1.079 224 V HN 0.726 nan 8.190 nan 0.000 0.448 225 T N 2.381 116.682 114.554 -0.421 0.000 2.921 225 T HA 0.656 5.006 4.350 0.000 0.000 0.297 225 T C -1.416 173.127 174.700 -0.262 0.000 1.013 225 T CA -0.172 61.713 62.100 -0.358 0.000 0.990 225 T CB 1.415 70.163 68.868 -0.199 0.000 1.023 225 T HN 0.885 nan 8.240 nan 0.000 0.447 226 L N 3.392 124.499 121.223 -0.194 0.000 2.280 226 L HA 0.572 4.912 4.340 0.000 0.000 0.287 226 L C -0.166 176.712 176.870 0.013 0.000 1.023 226 L CA -0.304 54.510 54.840 -0.044 0.000 0.819 226 L CB 0.985 43.072 42.059 0.046 0.000 1.212 226 L HN 0.679 nan 8.230 nan 0.000 0.420 227 E N 4.276 124.492 120.200 0.027 0.000 2.145 227 E HA 0.361 4.711 4.350 0.000 0.000 0.262 227 E C -1.234 175.435 176.600 0.115 0.000 0.883 227 E CA -0.598 55.836 56.400 0.055 0.000 0.748 227 E CB 0.709 30.423 29.700 0.022 0.000 1.140 227 E HN 0.584 nan 8.360 nan 0.000 0.417 228 N N 3.032 121.854 118.700 0.203 0.000 2.424 228 N HA 0.326 5.066 4.740 0.000 0.000 0.271 228 N C -1.198 174.455 175.510 0.239 0.000 0.985 228 N CA -0.337 52.861 53.050 0.246 0.000 0.921 228 N CB 2.054 40.757 38.487 0.360 0.000 1.149 228 N HN 0.299 nan 8.380 nan 0.000 0.492 229 T N 1.765 116.355 114.554 0.061 0.000 2.863 229 T HA 0.555 4.905 4.350 0.000 0.000 0.285 229 T C 0.452 174.992 174.700 -0.268 0.000 1.009 229 T CA -0.536 61.480 62.100 -0.140 0.000 0.989 229 T CB 1.315 70.056 68.868 -0.212 0.000 1.004 229 T HN 0.222 nan 8.240 nan 0.000 0.455 230 I N 2.918 123.208 120.570 -0.466 0.000 2.354 230 I HA 0.401 4.572 4.170 0.000 0.000 0.292 230 I C -0.859 175.115 176.117 -0.239 0.000 0.989 230 I CA -0.865 60.237 61.300 -0.331 0.000 1.188 230 I CB 0.862 38.569 38.000 -0.488 0.000 1.342 230 I HN 0.580 nan 8.210 nan 0.000 0.457 231 Y N 3.133 123.446 120.300 0.022 0.000 2.457 231 Y HA 0.335 4.886 4.550 0.000 0.000 0.333 231 Y C 1.153 177.149 175.900 0.161 0.000 1.119 231 Y CA -0.605 57.535 58.100 0.067 0.000 1.143 231 Y CB 1.777 40.249 38.460 0.021 0.000 1.230 231 Y HN 0.563 nan 8.280 nan 0.000 0.469 232 T N -2.048 112.677 114.554 0.285 0.000 2.828 232 T HA 0.077 4.427 4.350 0.000 0.000 0.290 232 T C 1.005 175.707 174.700 0.003 0.000 1.019 232 T CA -0.589 61.610 62.100 0.164 0.000 1.031 232 T CB 1.150 70.123 68.868 0.175 0.000 1.001 232 T HN 0.833 nan 8.240 nan 0.000 0.531 233 Q N 0.179 119.825 119.800 -0.255 0.000 2.173 233 Q HA -0.232 4.108 4.340 0.000 0.000 0.208 233 Q C 1.889 177.807 176.000 -0.136 0.000 0.989 233 Q CA 2.259 57.835 55.803 -0.378 0.000 0.872 233 Q CB -0.158 28.118 28.738 -0.770 0.000 0.909 233 Q HN 0.870 nan 8.270 nan 0.000 0.420 234 E N -1.768 118.415 120.200 -0.029 0.000 2.152 234 E HA 0.029 4.380 4.350 0.000 0.000 0.192 234 E C 1.109 177.724 176.600 0.025 0.000 0.983 234 E CA 0.995 57.401 56.400 0.011 0.000 0.818 234 E CB 0.222 29.954 29.700 0.053 0.000 0.758 234 E HN 0.507 nan 8.360 nan 0.000 0.467 235 G N -0.744 108.099 108.800 0.071 0.000 2.370 235 G HA2 -0.143 3.817 3.960 0.000 0.000 0.174 235 G HA3 -0.143 3.817 3.960 0.000 0.000 0.174 235 G C -0.189 174.856 174.900 0.242 0.000 1.002 235 G CA -0.622 44.545 45.100 0.111 0.000 0.730 235 G HN -0.035 nan 8.290 nan 0.000 0.497 236 Q N 0.855 120.772 119.800 0.195 0.000 2.340 236 Q HA 0.372 4.712 4.340 0.000 0.000 0.249 236 Q C 0.260 176.334 176.000 0.124 0.000 0.957 236 Q CA 0.070 55.968 55.803 0.159 0.000 0.882 236 Q CB 0.922 29.726 28.738 0.110 0.000 1.235 236 Q HN 0.381 nan 8.270 nan 0.000 0.439 237 K N 1.505 121.909 120.400 0.007 0.000 2.338 237 K HA 0.113 4.433 4.320 0.000 0.000 0.290 237 K C 0.793 177.346 176.600 -0.078 0.000 1.069 237 K CA -0.200 55.978 56.287 -0.182 0.000 0.941 237 K CB 0.640 33.022 32.500 -0.197 0.000 1.023 237 K HN 0.297 nan 8.250 nan 0.000 0.477 238 V N 2.021 121.888 119.914 -0.078 0.000 2.649 238 V HA 0.015 4.135 4.120 0.000 0.000 0.248 238 V C 0.976 177.044 176.094 -0.043 0.000 1.054 238 V CA 1.110 63.400 62.300 -0.017 0.000 1.073 238 V CB 0.132 31.972 31.823 0.030 0.000 0.699 238 V HN 0.962 nan 8.190 nan 0.000 0.463 239 G N -1.575 107.157 108.800 -0.113 0.000 2.667 239 G HA2 0.541 4.502 3.960 0.000 0.000 0.294 239 G HA3 0.541 4.502 3.960 0.000 0.000 0.294 239 G C -1.335 173.613 174.900 0.081 0.000 1.467 239 G CA -0.264 44.850 45.100 0.024 0.000 0.852 239 G HN -0.113 nan 8.290 nan 0.000 0.521 240 T N 0.750 115.483 114.554 0.298 0.000 2.921 240 T HA 0.534 4.885 4.350 0.000 0.000 0.297 240 T C -1.427 173.488 174.700 0.358 0.000 1.013 240 T CA -0.520 61.752 62.100 0.288 0.000 0.990 240 T CB 1.324 70.247 68.868 0.091 0.000 1.023 240 T HN 0.623 nan 8.240 nan 0.000 0.447 241 H N 1.746 120.969 119.070 0.255 0.000 2.823 241 H HA 0.605 5.161 4.556 0.000 0.000 0.332 241 H C -1.410 173.950 175.328 0.052 0.000 0.980 241 H CA -0.264 55.798 56.048 0.025 0.000 1.286 241 H CB 1.660 31.262 29.762 -0.267 0.000 1.541 241 H HN 0.570 nan 8.280 nan 0.000 0.521 242 S N 4.565 119.997 115.700 -0.445 0.000 2.513 242 S HA 0.582 5.052 4.470 0.000 0.000 0.299 242 S C -0.817 173.603 174.600 -0.300 0.000 1.087 242 S CA -0.710 57.344 58.200 -0.244 0.000 1.012 242 S CB 1.240 64.363 63.200 -0.128 0.000 1.044 242 S HN 0.766 nan 8.310 nan 0.000 0.485 243 R N 2.208 122.643 120.500 -0.108 0.000 2.533 243 R HA 0.466 4.806 4.340 0.000 0.000 0.288 243 R C -1.448 174.858 176.300 0.010 0.000 1.039 243 R CA -0.332 55.778 56.100 0.017 0.000 0.909 243 R CB 1.806 32.228 30.300 0.203 0.000 1.195 243 R HN 0.634 nan 8.270 nan 0.000 0.438 244 S N 4.181 119.890 115.700 0.015 0.000 2.475 244 S HA 0.734 5.204 4.470 0.000 0.000 0.298 244 S C -1.142 173.492 174.600 0.056 0.000 1.119 244 S CA -0.447 57.681 58.200 -0.119 0.000 1.085 244 S CB 0.747 63.891 63.200 -0.094 0.000 1.028 244 S HN 0.451 nan 8.310 nan 0.000 0.489 245 F N -0.892 119.027 119.950 -0.053 0.000 2.807 245 F HA 0.482 5.009 4.527 0.000 0.000 0.316 245 F C -1.588 174.203 175.800 -0.014 0.000 1.162 245 F CA -1.353 56.640 58.000 -0.012 0.000 0.910 245 F CB 0.398 39.419 39.000 0.034 0.000 1.314 245 F HN 0.202 nan 8.300 nan 0.000 0.454 246 D N 2.214 122.767 120.400 0.255 0.000 2.312 246 D HA 0.338 4.978 4.640 0.000 0.000 0.252 246 D C -0.703 175.814 176.300 0.362 0.000 1.150 246 D CA 0.048 54.152 54.000 0.175 0.000 0.870 246 D CB 1.886 42.762 40.800 0.127 0.000 1.153 246 D HN 0.618 nan 8.370 nan 0.000 0.457 247 L N 2.559 123.930 121.223 0.246 0.000 2.261 247 L HA 0.169 4.509 4.340 0.000 0.000 0.289 247 L C 0.308 177.295 176.870 0.195 0.000 1.059 247 L CA -0.190 54.846 54.840 0.327 0.000 0.816 247 L CB 0.831 43.037 42.059 0.245 0.000 1.191 247 L HN 0.203 nan 8.230 nan 0.000 0.431 248 S N 6.448 122.260 115.700 0.187 0.000 2.558 248 S HA 0.159 4.629 4.470 0.000 0.000 0.291 248 S C -1.550 173.108 174.600 0.096 0.000 1.306 248 S CA -0.500 57.769 58.200 0.116 0.000 1.056 248 S CB 0.537 63.791 63.200 0.091 0.000 0.836 248 S HN 0.689 nan 8.310 nan 0.000 0.504 249 P HA 0.077 nan 4.420 nan 0.000 0.245 249 P C -0.467 176.863 177.300 0.051 0.000 1.206 249 P CA 0.464 63.599 63.100 0.058 0.000 0.781 249 P CB 0.079 31.806 31.700 0.044 0.000 0.994 250 Q N 0.908 120.736 119.800 0.047 0.000 2.421 250 Q HA 0.496 4.836 4.340 0.000 0.000 0.242 250 Q C 0.461 176.481 176.000 0.034 0.000 1.024 250 Q CA -0.285 55.539 55.803 0.036 0.000 0.891 250 Q CB 0.663 29.417 28.738 0.027 0.000 1.222 250 Q HN 0.139 nan 8.270 nan 0.000 0.483 251 G N 1.782 110.603 108.800 0.035 0.000 2.758 251 G HA2 -0.207 3.753 3.960 0.000 0.000 0.686 251 G HA3 -0.207 3.753 3.960 0.000 0.000 0.686 251 G C -0.358 174.568 174.900 0.044 0.000 1.389 251 G CA -0.986 44.133 45.100 0.031 0.000 0.845 251 G HN 0.428 nan 8.290 nan 0.000 0.572 252 T N 2.884 117.462 114.554 0.040 0.000 2.913 252 T HA 0.530 4.881 4.350 0.000 0.000 0.297 252 T C 0.284 175.005 174.700 0.036 0.000 1.029 252 T CA -0.038 62.094 62.100 0.053 0.000 1.104 252 T CB 1.155 70.051 68.868 0.048 0.000 0.964 252 T HN 0.591 nan 8.240 nan 0.000 0.532 253 Q N 1.563 121.406 119.800 0.073 0.000 2.345 253 Q HA 0.505 4.845 4.340 0.000 0.000 0.268 253 Q C -0.626 175.374 176.000 -0.001 0.000 1.054 253 Q CA -0.597 55.212 55.803 0.011 0.000 0.835 253 Q CB 2.055 30.864 28.738 0.117 0.000 1.339 253 Q HN 0.564 nan 8.270 nan 0.000 0.447 254 T N 2.094 116.508 114.554 -0.233 0.000 2.792 254 T HA 0.605 4.956 4.350 0.000 0.000 0.280 254 T C -0.933 173.495 174.700 -0.452 0.000 0.990 254 T CA -0.350 61.642 62.100 -0.180 0.000 0.960 254 T CB 0.315 69.093 68.868 -0.150 0.000 0.939 254 T HN 0.256 nan 8.240 nan 0.000 0.439 255 Y N 1.726 121.993 120.300 -0.055 0.000 2.485 255 Y HA 0.677 5.227 4.550 0.000 0.000 0.345 255 Y C -0.106 175.779 175.900 -0.024 0.000 0.998 255 Y CA -1.184 56.878 58.100 -0.064 0.000 1.059 255 Y CB 1.515 39.951 38.460 -0.039 0.000 1.234 255 Y HN 0.382 nan 8.280 nan 0.000 0.461 256 L N 1.578 122.852 121.223 0.084 0.000 2.354 256 L HA 0.709 5.049 4.340 0.000 0.000 0.269 256 L C -0.622 176.194 176.870 -0.090 0.000 1.005 256 L CA -0.664 54.175 54.840 -0.002 0.000 0.819 256 L CB 2.220 44.240 42.059 -0.065 0.000 1.311 256 L HN 0.559 nan 8.230 nan 0.000 0.423 257 S N -0.002 115.589 115.700 -0.182 0.000 2.541 257 S HA 0.698 5.168 4.470 0.000 0.000 0.280 257 S C -0.684 173.638 174.600 -0.462 0.000 1.112 257 S CA -0.636 57.236 58.200 -0.545 0.000 0.925 257 S CB 2.209 65.242 63.200 -0.279 0.000 1.067 257 S HN 0.695 nan 8.310 nan 0.000 0.479 258 T N 0.319 114.454 114.554 -0.699 0.000 2.861 258 T HA 0.810 5.160 4.350 0.000 0.000 0.287 258 T C -1.096 173.256 174.700 -0.580 0.000 1.003 258 T CA -0.562 61.296 62.100 -0.404 0.000 0.977 258 T CB 0.543 69.265 68.868 -0.242 0.000 0.996 258 T HN 0.289 nan 8.240 nan 0.000 0.448 259 F N 1.207 121.107 119.950 -0.084 0.000 2.540 259 F HA 0.610 5.137 4.527 0.000 0.000 0.317 259 F C 0.387 176.150 175.800 -0.062 0.000 1.104 259 F CA -1.156 56.805 58.000 -0.064 0.000 0.913 259 F CB 2.238 41.198 39.000 -0.067 0.000 1.170 259 F HN 0.295 nan 8.300 nan 0.000 0.450 260 K N 3.453 123.926 120.400 0.121 0.000 2.316 260 K HA 0.386 4.707 4.320 0.000 0.000 0.267 260 K C -1.420 175.211 176.600 0.051 0.000 1.025 260 K CA -0.675 55.645 56.287 0.055 0.000 0.896 260 K CB 1.061 33.575 32.500 0.024 0.000 1.124 260 K HN 0.478 nan 8.250 nan 0.000 0.451 261 L N 4.235 125.468 121.223 0.016 0.000 2.260 261 L HA 0.257 4.597 4.340 0.000 0.000 0.289 261 L C 0.105 176.976 176.870 0.001 0.000 1.057 261 L CA -0.378 54.454 54.840 -0.014 0.000 0.811 261 L CB 0.806 42.812 42.059 -0.087 0.000 1.184 261 L HN 0.367 nan 8.230 nan 0.000 0.429 262 K N 4.022 124.431 120.400 0.015 0.000 2.276 262 K HA 0.264 4.584 4.320 0.000 0.000 0.285 262 K C 0.110 176.722 176.600 0.021 0.000 1.062 262 K CA 0.247 56.544 56.287 0.016 0.000 0.918 262 K CB -0.107 32.404 32.500 0.019 0.000 1.055 262 K HN 0.571 nan 8.250 nan 0.000 0.477 263 N N 3.663 122.369 118.700 0.011 0.000 2.667 263 N HA -0.160 4.581 4.740 0.000 0.000 0.263 263 N C -2.407 173.120 175.510 0.029 0.000 1.038 263 N CA 0.167 53.220 53.050 0.005 0.000 0.749 263 N CB -0.813 37.668 38.487 -0.010 0.000 0.892 263 N HN 0.597 nan 8.380 nan 0.000 0.546 264 P HA -0.039 nan 4.420 nan 0.000 0.275 264 P C -0.552 176.838 177.300 0.149 0.000 1.228 264 P CA 0.301 63.496 63.100 0.159 0.000 0.786 264 P CB 0.556 32.322 31.700 0.109 0.000 0.927 265 H N 2.385 121.490 119.070 0.059 0.000 3.362 265 H HA 0.155 4.712 4.556 0.000 0.000 0.248 265 H C 0.339 175.678 175.328 0.018 0.000 1.276 265 H CA -0.426 55.472 56.048 -0.249 0.000 1.520 265 H CB -0.701 28.365 29.762 -1.160 0.000 1.624 265 H HN 0.238 nan 8.280 nan 0.000 0.502 266 L N 3.975 125.329 121.223 0.217 0.000 2.514 266 L HA -0.147 4.193 4.340 0.000 0.000 0.280 266 L C 0.365 177.452 176.870 0.361 0.000 1.223 266 L CA 0.263 55.257 54.840 0.257 0.000 0.864 266 L CB 0.345 42.484 42.059 0.134 0.000 1.118 266 L HN 0.677 nan 8.230 nan 0.000 0.494 267 W N 3.940 125.335 121.300 0.158 0.000 2.388 267 W HA 0.189 4.849 4.660 0.000 0.000 0.308 267 W C 0.364 176.917 176.519 0.057 0.000 1.263 267 W CA -0.253 57.167 57.345 0.125 0.000 1.286 267 W CB 0.637 30.146 29.460 0.081 0.000 1.294 267 W HN 0.419 nan 8.180 nan 0.000 0.493 268 Q N 6.039 125.703 119.800 -0.228 0.000 2.462 268 Q HA 0.340 4.680 4.340 0.000 0.000 0.395 268 Q C 0.706 176.418 176.000 -0.480 0.000 0.911 268 Q CA 0.438 56.105 55.803 -0.226 0.000 1.112 268 Q CB 0.240 28.943 28.738 -0.058 0.000 1.350 268 Q HN 0.831 nan 8.270 nan 0.000 0.407 269 G N 1.162 109.326 108.800 -1.060 0.000 2.582 269 G HA2 -0.424 3.536 3.960 0.000 0.000 0.288 269 G HA3 -0.424 3.536 3.960 0.000 0.000 0.288 269 G C 0.753 175.321 174.900 -0.553 0.000 1.247 269 G CA 0.303 44.843 45.100 -0.934 0.000 0.972 269 G HN 0.523 nan 8.290 nan 0.000 0.557 270 R N 0.294 120.686 120.500 -0.179 0.000 2.148 270 R HA -0.016 4.324 4.340 0.000 0.000 0.227 270 R C 2.743 178.978 176.300 -0.107 0.000 1.103 270 R CA 1.701 57.729 56.100 -0.121 0.000 0.983 270 R CB -0.245 30.026 30.300 -0.047 0.000 0.874 270 R HN 0.560 nan 8.270 nan 0.000 0.451 271 K N -0.171 120.180 120.400 -0.080 0.000 2.057 271 K HA -0.091 4.229 4.320 0.000 0.000 0.206 271 K C 0.403 176.966 176.600 -0.062 0.000 1.050 271 K CA 1.056 57.311 56.287 -0.053 0.000 0.935 271 K CB 0.168 32.654 32.500 -0.024 0.000 0.715 271 K HN -0.065 nan 8.250 nan 0.000 0.439 272 D N -0.715 119.616 120.400 -0.114 0.000 2.586 272 D HA 0.128 4.769 4.640 0.000 0.000 0.254 272 D C -2.624 173.568 176.300 -0.181 0.000 1.248 272 D CA -1.979 51.985 54.000 -0.060 0.000 0.843 272 D CB 1.006 41.840 40.800 0.055 0.000 1.332 272 D HN -0.146 nan 8.370 nan 0.000 0.523 273 P HA 0.041 nan 4.420 nan 0.000 0.246 273 P C -0.240 177.076 177.300 0.026 0.000 1.686 273 P CA -0.311 62.528 63.100 -0.435 0.000 0.867 273 P CB -1.168 30.409 31.700 -0.205 0.000 1.733 274 Y N 1.543 121.808 120.300 -0.058 0.000 2.717 274 Y HA 0.059 4.609 4.550 0.000 0.000 0.330 274 Y C 0.036 176.001 175.900 0.108 0.000 1.217 274 Y CA 0.528 58.560 58.100 -0.114 0.000 1.506 274 Y CB 0.216 38.407 38.460 -0.449 0.000 1.268 274 Y HN -0.010 nan 8.280 nan 0.000 0.561 275 L N 8.148 129.045 121.223 -0.544 0.000 2.372 275 L HA 0.319 4.660 4.340 0.000 0.000 0.274 275 L C -0.909 175.710 176.870 -0.418 0.000 0.988 275 L CA -0.846 53.849 54.840 -0.243 0.000 0.833 275 L CB 0.950 42.949 42.059 -0.100 0.000 1.236 275 L HN 0.642 nan 8.230 nan 0.000 0.410 276 Y N 1.957 122.194 120.300 -0.106 0.000 2.281 276 Y HA 0.213 4.763 4.550 0.000 0.000 0.337 276 Y C 0.525 176.396 175.900 -0.049 0.000 1.304 276 Y CA -0.139 57.940 58.100 -0.036 0.000 1.465 276 Y CB 0.765 39.262 38.460 0.061 0.000 1.350 276 Y HN 0.407 nan 8.280 nan 0.000 0.575 277 K N 1.040 121.553 120.400 0.188 0.000 2.483 277 K HA 0.520 4.840 4.320 0.000 0.000 0.256 277 K C -2.030 174.656 176.600 0.143 0.000 0.961 277 K CA -0.490 55.863 56.287 0.109 0.000 0.873 277 K CB 0.928 33.458 32.500 0.050 0.000 1.107 277 K HN 0.467 nan 8.250 nan 0.000 0.432 278 V N 4.713 124.665 119.914 0.064 0.000 2.461 278 V HA 0.264 4.384 4.120 0.000 0.000 0.275 278 V C -0.299 175.836 176.094 0.070 0.000 1.047 278 V CA -0.683 61.640 62.300 0.038 0.000 0.955 278 V CB 1.294 33.111 31.823 -0.010 0.000 0.988 278 V HN 0.500 nan 8.190 nan 0.000 0.471 279 V N 4.322 124.312 119.914 0.126 0.000 2.448 279 V HA 0.397 4.517 4.120 0.000 0.000 0.295 279 V C -0.243 175.910 176.094 0.099 0.000 1.025 279 V CA -0.450 61.922 62.300 0.120 0.000 0.859 279 V CB 1.779 33.728 31.823 0.209 0.000 0.988 279 V HN 0.963 nan 8.190 nan 0.000 0.431 280 C N 5.518 124.854 119.300 0.061 0.000 2.319 280 C HA 0.677 5.137 4.460 0.000 0.000 0.323 280 C C 0.297 175.312 174.990 0.042 0.000 1.277 280 C CA -0.861 58.194 59.018 0.062 0.000 1.517 280 C CB 0.642 28.410 27.740 0.048 0.000 2.206 280 C HN 0.871 nan 8.230 nan 0.000 0.486 281 R N 2.263 122.790 120.500 0.046 0.000 2.480 281 R HA 0.612 4.952 4.340 0.000 0.000 0.306 281 R C -1.264 175.037 176.300 0.000 0.000 0.958 281 R CA -0.732 55.381 56.100 0.022 0.000 0.861 281 R CB 1.615 31.931 30.300 0.028 0.000 1.171 281 R HN 0.495 nan 8.270 nan 0.000 0.445 282 L N 3.986 125.200 121.223 -0.015 0.000 2.264 282 L HA 0.475 4.816 4.340 0.000 0.000 0.289 282 L C -0.901 175.937 176.870 -0.055 0.000 1.044 282 L CA 0.241 55.056 54.840 -0.043 0.000 0.807 282 L CB 1.102 43.143 42.059 -0.031 0.000 1.192 282 L HN 0.612 nan 8.230 nan 0.000 0.425 283 M N 4.363 123.910 119.600 -0.088 0.000 2.465 283 M HA 0.782 5.262 4.480 0.000 0.000 0.316 283 M C -0.766 175.470 176.300 -0.106 0.000 1.121 283 M CA -0.470 54.781 55.300 -0.081 0.000 0.934 283 M CB 2.267 34.824 32.600 -0.072 0.000 1.692 283 M HN 0.666 nan 8.290 nan 0.000 0.444 284 A N 1.577 124.350 122.820 -0.078 0.000 2.398 284 A HA 0.586 4.907 4.320 0.000 0.000 0.301 284 A C -0.363 177.186 177.584 -0.058 0.000 1.041 284 A CA -0.415 51.574 52.037 -0.079 0.000 0.711 284 A CB 0.958 19.919 19.000 -0.065 0.000 1.240 284 A HN 0.976 nan 8.150 nan 0.000 0.420 285 D N 1.222 121.586 120.400 -0.060 0.000 2.751 285 D HA -0.099 4.541 4.640 0.000 0.000 0.233 285 D C 1.267 177.545 176.300 -0.037 0.000 1.149 285 D CA 2.965 56.939 54.000 -0.043 0.000 0.682 285 D CB -0.928 39.852 40.800 -0.033 0.000 1.068 285 D HN 2.288 nan 8.370 nan 0.000 0.429 286 G N -0.980 107.794 108.800 -0.044 0.000 2.253 286 G HA2 -0.352 3.608 3.960 0.000 0.000 0.251 286 G HA3 -0.352 3.608 3.960 0.000 0.000 0.251 286 G C 0.320 175.203 174.900 -0.028 0.000 0.998 286 G CA 0.568 45.647 45.100 -0.034 0.000 0.621 286 G HN 0.592 nan 8.290 nan 0.000 0.524 287 K N 0.420 120.802 120.400 -0.029 0.000 2.156 287 K HA 0.640 4.960 4.320 0.000 0.000 0.254 287 K C 0.227 176.812 176.600 -0.025 0.000 0.950 287 K CA -0.896 55.378 56.287 -0.022 0.000 0.849 287 K CB 2.790 35.281 32.500 -0.016 0.000 1.100 287 K HN 0.046 nan 8.250 nan 0.000 0.434 288 V N 4.407 124.311 119.914 -0.017 0.000 2.485 288 V HA -0.011 4.109 4.120 0.000 0.000 0.287 288 V C 1.251 177.337 176.094 -0.014 0.000 1.022 288 V CA 0.252 62.542 62.300 -0.016 0.000 1.067 288 V CB -0.236 31.583 31.823 -0.007 0.000 0.967 288 V HN 0.785 nan 8.190 nan 0.000 0.479 289 I N -0.310 120.249 120.570 -0.018 0.000 4.035 289 I HA 0.544 4.714 4.170 0.000 0.000 0.321 289 I C 0.366 176.480 176.117 -0.004 0.000 1.289 289 I CA 0.370 61.664 61.300 -0.010 0.000 1.236 289 I CB 0.714 38.706 38.000 -0.014 0.000 1.076 289 I HN 0.587 nan 8.210 nan 0.000 0.418 290 D N 1.230 121.625 120.400 -0.009 0.000 2.648 290 D HA 0.353 4.993 4.640 0.000 0.000 0.244 290 D C -1.714 174.577 176.300 -0.015 0.000 1.244 290 D CA -0.244 53.750 54.000 -0.010 0.000 0.772 290 D CB 1.870 42.666 40.800 -0.007 0.000 1.379 290 D HN 0.324 nan 8.370 nan 0.000 0.428 291 E N 0.832 121.018 120.200 -0.023 0.000 2.380 291 E HA 0.507 4.857 4.350 0.000 0.000 0.281 291 E C -1.842 174.733 176.600 -0.042 0.000 0.999 291 E CA -0.712 55.674 56.400 -0.022 0.000 0.800 291 E CB 1.087 30.779 29.700 -0.013 0.000 1.228 291 E HN 0.148 nan 8.360 nan 0.000 0.436 292 V N 1.563 121.453 119.914 -0.040 0.000 2.656 292 V HA 0.554 4.674 4.120 0.000 0.000 0.307 292 V C -0.346 175.719 176.094 -0.048 0.000 1.051 292 V CA -0.880 61.382 62.300 -0.063 0.000 0.893 292 V CB 1.751 33.524 31.823 -0.083 0.000 0.999 292 V HN 0.622 nan 8.190 nan 0.000 0.426 293 V N 4.416 124.292 119.914 -0.063 0.000 2.628 293 V HA 0.777 4.897 4.120 0.000 0.000 0.306 293 V C -0.924 175.132 176.094 -0.064 0.000 1.045 293 V CA -0.088 62.182 62.300 -0.049 0.000 0.905 293 V CB 1.908 33.699 31.823 -0.052 0.000 0.997 293 V HN 0.895 nan 8.190 nan 0.000 0.436 294 Q N 5.003 124.773 119.800 -0.051 0.000 2.456 294 Q HA 0.613 4.953 4.340 0.000 0.000 0.283 294 Q C -2.908 173.062 176.000 -0.050 0.000 1.084 294 Q CA -1.730 54.031 55.803 -0.070 0.000 0.801 294 Q CB 2.722 31.411 28.738 -0.081 0.000 1.434 294 Q HN 0.705 nan 8.270 nan 0.000 0.419 295 P HA 0.402 nan 4.420 nan 0.000 0.279 295 P C -1.028 176.248 177.300 -0.039 0.000 1.252 295 P CA -0.630 62.444 63.100 -0.044 0.000 0.811 295 P CB 1.072 32.740 31.700 -0.054 0.000 1.035 296 L N 1.654 122.881 121.223 0.006 0.000 2.457 296 L HA 0.620 4.960 4.340 0.000 0.000 0.266 296 L C -0.466 176.453 176.870 0.082 0.000 0.979 296 L CA -0.246 54.604 54.840 0.018 0.000 0.857 296 L CB 1.154 43.230 42.059 0.029 0.000 1.213 296 L HN 0.518 nan 8.230 nan 0.000 0.418 297 G N 4.732 113.492 108.800 -0.067 0.000 2.547 297 G HA2 0.511 4.471 3.960 0.000 0.000 0.327 297 G HA3 0.511 4.471 3.960 0.000 0.000 0.327 297 G C -0.710 174.187 174.900 -0.005 0.000 1.118 297 G CA -0.436 44.616 45.100 -0.080 0.000 1.022 297 G HN 0.445 nan 8.290 nan 0.000 0.464 298 V N 3.547 123.590 119.914 0.214 0.000 2.479 298 V HA 0.546 4.666 4.120 0.000 0.000 0.281 298 V C 0.389 176.550 176.094 0.112 0.000 1.031 298 V CA -0.001 62.370 62.300 0.119 0.000 1.038 298 V CB -0.010 31.914 31.823 0.168 0.000 0.981 298 V HN 1.087 nan 8.190 nan 0.000 0.478 299 R N 3.374 123.854 120.500 -0.034 0.000 2.774 299 R HA 0.594 4.934 4.340 0.000 0.000 0.279 299 R C -1.362 174.801 176.300 -0.228 0.000 1.022 299 R CA -0.989 55.065 56.100 -0.078 0.000 0.855 299 R CB 1.084 31.383 30.300 -0.002 0.000 1.279 299 R HN 0.515 nan 8.270 nan 0.000 0.485 300 K N 0.915 121.181 120.400 -0.223 0.000 2.371 300 K HA 0.561 4.881 4.320 0.000 0.000 0.251 300 K C -1.414 175.060 176.600 -0.209 0.000 0.934 300 K CA -0.849 55.310 56.287 -0.214 0.000 0.798 300 K CB 1.369 33.813 32.500 -0.094 0.000 1.204 300 K HN 0.578 nan 8.250 nan 0.000 0.427 301 Y N 1.472 121.746 120.300 -0.043 0.000 2.341 301 Y HA 0.380 4.930 4.550 0.000 0.000 0.338 301 Y C -0.227 175.587 175.900 -0.144 0.000 0.965 301 Y CA -0.804 57.225 58.100 -0.119 0.000 1.108 301 Y CB 1.951 40.420 38.460 0.014 0.000 1.180 301 Y HN 0.623 nan 8.280 nan 0.000 0.458 302 E N 3.068 123.204 120.200 -0.107 0.000 2.340 302 E HA 0.631 4.981 4.350 0.000 0.000 0.273 302 E C -1.675 174.842 176.600 -0.140 0.000 0.891 302 E CA -0.724 55.667 56.400 -0.016 0.000 0.757 302 E CB 2.034 31.727 29.700 -0.013 0.000 1.231 302 E HN 0.613 nan 8.360 nan 0.000 0.439 303 I N 3.165 123.729 120.570 -0.010 0.000 2.389 303 I HA 0.293 4.463 4.170 0.000 0.000 0.288 303 I C -0.858 175.273 176.117 0.023 0.000 0.999 303 I CA -0.872 60.386 61.300 -0.071 0.000 1.129 303 I CB 1.856 39.672 38.000 -0.306 0.000 1.288 303 I HN 0.197 nan 8.210 nan 0.000 0.444 304 V N 6.042 126.015 119.914 0.099 0.000 2.357 304 V HA 0.493 4.613 4.120 0.000 0.000 0.284 304 V C 0.602 176.749 176.094 0.088 0.000 1.018 304 V CA -0.766 61.574 62.300 0.067 0.000 0.841 304 V CB 1.443 33.273 31.823 0.012 0.000 0.991 304 V HN 0.837 nan 8.190 nan 0.000 0.437 305 A N 3.869 126.725 122.820 0.059 0.000 2.540 305 A HA 0.504 4.825 4.320 0.000 0.000 0.239 305 A C 1.589 179.213 177.584 0.065 0.000 1.061 305 A CA 0.758 52.813 52.037 0.029 0.000 0.758 305 A CB -0.319 18.723 19.000 0.070 0.000 0.991 305 A HN 2.199 nan 8.150 nan 0.000 0.502 306 G N 1.304 110.120 108.800 0.026 0.000 2.189 306 G HA2 -0.271 3.689 3.960 0.000 0.000 0.267 306 G HA3 -0.271 3.689 3.960 0.000 0.000 0.267 306 G C 0.996 175.965 174.900 0.115 0.000 0.975 306 G CA 1.023 46.223 45.100 0.168 0.000 0.644 306 G HN 0.723 nan 8.290 nan 0.000 0.537 307 K N -0.758 119.706 120.400 0.107 0.000 2.418 307 K HA 0.496 4.816 4.320 0.000 0.000 0.208 307 K C 1.289 177.964 176.600 0.126 0.000 1.261 307 K CA 1.298 57.672 56.287 0.146 0.000 0.874 307 K CB 0.988 33.624 32.500 0.227 0.000 1.451 307 K HN 1.274 nan 8.250 nan 0.000 0.466 308 G N 0.710 109.615 108.800 0.174 0.000 2.334 308 G HA2 0.037 3.997 3.960 0.000 0.000 0.249 308 G HA3 0.037 3.997 3.960 0.000 0.000 0.249 308 G C -1.926 173.057 174.900 0.139 0.000 1.327 308 G CA -0.800 44.337 45.100 0.062 0.000 0.979 308 G HN 0.040 nan 8.290 nan 0.000 0.471 309 F N 0.610 120.431 119.950 -0.216 0.000 2.458 309 F HA 0.837 5.364 4.527 0.000 0.000 0.336 309 F C -1.011 174.631 175.800 -0.263 0.000 1.114 309 F CA -1.220 56.710 58.000 -0.118 0.000 0.987 309 F CB 1.414 40.298 39.000 -0.194 0.000 1.130 309 F HN 0.305 nan 8.300 nan 0.000 0.458 310 F N 6.864 126.660 119.950 -0.258 0.000 2.477 310 F HA 0.475 5.003 4.527 0.000 0.000 0.335 310 F C -1.027 174.732 175.800 -0.069 0.000 1.130 310 F CA -1.063 56.901 58.000 -0.060 0.000 0.948 310 F CB 1.726 40.684 39.000 -0.070 0.000 1.154 310 F HN 0.233 nan 8.300 nan 0.000 0.439 311 L N 5.529 126.879 121.223 0.212 0.000 2.265 311 L HA 0.483 4.823 4.340 0.000 0.000 0.289 311 L C 0.134 177.071 176.870 0.111 0.000 1.033 311 L CA -0.398 54.539 54.840 0.161 0.000 0.814 311 L CB 0.355 42.425 42.059 0.017 0.000 1.203 311 L HN 0.621 nan 8.230 nan 0.000 0.423 312 N N 4.489 123.228 118.700 0.065 0.000 2.716 312 N HA -0.232 4.508 4.740 0.000 0.000 0.250 312 N C 1.013 176.570 175.510 0.078 0.000 1.033 312 N CA 1.268 54.347 53.050 0.048 0.000 0.727 312 N CB -1.231 37.282 38.487 0.044 0.000 0.950 312 N HN 1.179 nan 8.380 nan 0.000 0.541 313 G N -1.298 107.574 108.800 0.121 0.000 2.241 313 G HA2 -0.307 3.653 3.960 0.000 0.000 0.244 313 G HA3 -0.307 3.653 3.960 0.000 0.000 0.244 313 G C -0.294 174.782 174.900 0.292 0.000 0.998 313 G CA 0.485 45.675 45.100 0.150 0.000 0.621 313 G HN 0.556 nan 8.290 nan 0.000 0.519 314 E N 1.009 121.356 120.200 0.245 0.000 2.191 314 E HA 0.437 4.787 4.350 0.000 0.000 0.278 314 E C 0.020 176.672 176.600 0.087 0.000 0.972 314 E CA -0.871 55.645 56.400 0.193 0.000 0.804 314 E CB 1.910 31.681 29.700 0.117 0.000 1.110 314 E HN 0.307 nan 8.360 nan 0.000 0.394 315 K N 2.475 122.798 120.400 -0.129 0.000 2.489 315 K HA -0.030 4.290 4.320 0.000 0.000 0.278 315 K C -1.289 175.203 176.600 -0.181 0.000 1.000 315 K CA 0.442 56.413 56.287 -0.526 0.000 1.012 315 K CB 0.310 32.527 32.500 -0.472 0.000 0.903 315 K HN 0.494 nan 8.250 nan 0.000 0.485 316 Y N 1.533 121.651 120.300 -0.303 0.000 2.442 316 Y HA 0.209 4.759 4.550 0.000 0.000 0.344 316 Y C -0.842 174.869 175.900 -0.315 0.000 0.976 316 Y CA -0.548 57.429 58.100 -0.205 0.000 1.040 316 Y CB 1.877 40.319 38.460 -0.030 0.000 1.228 316 Y HN 0.540 nan 8.280 nan 0.000 0.451 317 S N 6.376 121.490 115.700 -0.976 0.000 2.505 317 S HA 0.287 4.757 4.470 0.000 0.000 0.276 317 S C -0.227 173.799 174.600 -0.957 0.000 1.274 317 S CA -0.391 57.232 58.200 -0.961 0.000 1.053 317 S CB 0.195 62.650 63.200 -1.242 0.000 0.919 317 S HN 0.488 nan 8.310 nan 0.000 0.490 318 M N 4.695 123.866 119.600 -0.715 0.000 2.901 318 M HA 0.242 4.722 4.480 0.000 0.000 0.294 318 M C -1.468 174.476 176.300 -0.595 0.000 1.255 318 M CA -0.494 54.434 55.300 -0.621 0.000 1.274 318 M CB -0.618 31.669 32.600 -0.522 0.000 1.173 318 M HN 0.474 nan 8.290 nan 0.000 0.525 319 Y N 0.355 120.195 120.300 -0.766 0.000 2.595 319 Y HA 0.538 5.089 4.550 0.000 0.000 0.347 319 Y C 1.250 176.512 175.900 -1.064 0.000 1.025 319 Y CA -1.109 56.220 58.100 -1.285 0.000 1.295 319 Y CB -0.043 36.900 38.460 -2.529 0.000 1.147 319 Y HN 0.532 nan 8.280 nan 0.000 0.515 320 G N 1.833 110.269 108.800 -0.607 0.000 2.400 320 G HA2 0.596 4.556 3.960 0.000 0.000 0.301 320 G HA3 0.596 4.556 3.960 0.000 0.000 0.301 320 G C -0.566 174.266 174.900 -0.113 0.000 1.154 320 G CA -0.562 44.229 45.100 -0.515 0.000 0.852 320 G HN 0.550 nan 8.290 nan 0.000 0.511 321 V N -0.925 118.994 119.914 0.007 0.000 3.167 321 V HA 0.986 5.106 4.120 0.000 0.000 0.310 321 V C -0.043 175.961 176.094 -0.150 0.000 1.207 321 V CA -0.476 61.776 62.300 -0.080 0.000 1.059 321 V CB 1.568 33.294 31.823 -0.162 0.000 1.079 321 V HN 1.142 nan 8.190 nan 0.000 0.446 322 T N -0.474 113.905 114.554 -0.292 0.000 2.906 322 T HA 0.842 5.192 4.350 0.000 0.000 0.295 322 T C -0.790 173.641 174.700 -0.449 0.000 1.075 322 T CA -0.765 61.056 62.100 -0.465 0.000 1.005 322 T CB 2.289 70.844 68.868 -0.522 0.000 1.136 322 T HN 1.145 nan 8.240 nan 0.000 0.498 323 R N 1.020 121.249 120.500 -0.452 0.000 2.515 323 R HA 0.268 4.608 4.340 0.000 0.000 0.278 323 R C -1.702 174.462 176.300 -0.227 0.000 1.107 323 R CA -0.409 55.611 56.100 -0.134 0.000 0.945 323 R CB 1.394 31.785 30.300 0.150 0.000 1.219 323 R HN 0.933 nan 8.270 nan 0.000 0.434 324 H N 2.781 121.753 119.070 -0.163 0.000 2.483 324 H HA 0.153 4.709 4.556 0.000 0.000 0.338 324 H C 0.176 175.608 175.328 0.173 0.000 1.152 324 H CA -0.197 55.794 56.048 -0.096 0.000 1.264 324 H CB 1.907 31.534 29.762 -0.226 0.000 1.510 324 H HN 0.488 nan 8.280 nan 0.000 0.530 325 Q N 0.977 121.038 119.800 0.434 0.000 2.247 325 Q HA 0.088 4.428 4.340 0.000 0.000 0.234 325 Q C -0.889 175.277 176.000 0.277 0.000 0.899 325 Q CA -0.374 55.654 55.803 0.376 0.000 0.951 325 Q CB -0.270 28.713 28.738 0.408 0.000 1.057 325 Q HN 0.399 nan 8.270 nan 0.000 0.444 326 D N -0.667 119.930 120.400 0.329 0.000 2.575 326 D HA 0.344 4.984 4.640 0.000 0.000 0.236 326 D C -1.407 175.109 176.300 0.359 0.000 1.075 326 D CA -0.578 53.552 54.000 0.217 0.000 0.860 326 D CB 0.635 41.538 40.800 0.172 0.000 1.475 326 D HN 0.090 nan 8.370 nan 0.000 0.474 327 W N 0.824 121.972 121.300 -0.253 0.000 2.689 327 W HA 0.353 5.013 4.660 0.000 0.000 0.340 327 W C 0.004 176.051 176.519 -0.786 0.000 1.060 327 W CA -1.189 55.883 57.345 -0.455 0.000 1.218 327 W CB 1.059 30.288 29.460 -0.385 0.000 1.410 327 W HN 0.323 nan 8.180 nan 0.000 0.528 328 W N 4.282 124.825 121.300 -1.262 0.000 2.385 328 W HA 0.269 4.929 4.660 0.000 0.000 0.336 328 W C 0.878 177.213 176.519 -0.307 0.000 1.351 328 W CA 2.167 58.945 57.345 -0.946 0.000 1.295 328 W CB 0.228 29.302 29.460 -0.645 0.000 1.239 328 W HN 0.824 nan 8.180 nan 0.000 0.565 329 G N 4.017 112.173 108.800 -1.074 0.000 2.454 329 G HA2 -0.347 3.613 3.960 0.000 0.000 0.225 329 G HA3 -0.347 3.613 3.960 0.000 0.000 0.225 329 G C 0.407 175.065 174.900 -0.404 0.000 1.138 329 G CA 0.290 44.917 45.100 -0.789 0.000 0.667 329 G HN 0.505 nan 8.290 nan 0.000 0.512 330 L N 2.902 123.931 121.223 -0.324 0.000 2.554 330 L HA 0.440 4.781 4.340 0.000 0.000 0.226 330 L C 2.305 178.982 176.870 -0.322 0.000 1.137 330 L CA 1.740 56.393 54.840 -0.310 0.000 0.863 330 L CB -1.270 40.541 42.059 -0.413 0.000 0.985 330 L HN 1.516 nan 8.230 nan 0.000 0.451 331 G N 0.287 108.907 108.800 -0.300 0.000 2.581 331 G HA2 -0.396 3.564 3.960 0.000 0.000 0.291 331 G HA3 -0.396 3.564 3.960 0.000 0.000 0.291 331 G C 0.848 175.325 174.900 -0.705 0.000 1.277 331 G CA 0.694 45.517 45.100 -0.463 0.000 0.959 331 G HN 0.481 nan 8.290 nan 0.000 0.554 332 S N -0.286 114.770 115.700 -1.073 0.000 2.634 332 S HA 0.568 5.038 4.470 0.000 0.000 0.221 332 S C 1.118 175.576 174.600 -0.237 0.000 0.952 332 S CA 1.084 58.915 58.200 -0.615 0.000 0.930 332 S CB 0.399 63.149 63.200 -0.749 0.000 0.780 332 S HN 2.069 nan 8.310 nan 0.000 0.498 333 A N 2.377 125.025 122.820 -0.286 0.000 3.004 333 A HA 0.598 4.918 4.320 0.000 0.000 0.286 333 A C 0.211 177.611 177.584 -0.307 0.000 1.632 333 A CA -0.615 51.306 52.037 -0.193 0.000 1.339 333 A CB -0.521 18.360 19.000 -0.199 0.000 1.136 333 A HN 0.625 nan 8.150 nan 0.000 0.577 334 L N 0.488 121.526 121.223 -0.309 0.000 2.400 334 L HA 0.556 4.896 4.340 0.000 0.000 0.264 334 L C 0.547 177.198 176.870 -0.365 0.000 1.061 334 L CA -0.835 53.679 54.840 -0.542 0.000 0.799 334 L CB 1.069 42.730 42.059 -0.664 0.000 1.240 334 L HN 0.442 nan 8.230 nan 0.000 0.461 335 K N -0.028 120.210 120.400 -0.269 0.000 2.312 335 K HA 0.351 4.672 4.320 0.000 0.000 0.236 335 K C 0.397 176.838 176.600 -0.265 0.000 1.079 335 K CA -0.796 55.382 56.287 -0.181 0.000 0.900 335 K CB 1.111 33.549 32.500 -0.103 0.000 1.297 335 K HN 0.449 nan 8.250 nan 0.000 0.498 336 N N 1.098 119.653 118.700 -0.241 0.000 2.309 336 N HA -0.151 4.589 4.740 0.000 0.000 0.182 336 N C 1.148 176.594 175.510 -0.106 0.000 1.018 336 N CA 0.661 53.571 53.050 -0.233 0.000 0.876 336 N CB 0.220 38.388 38.487 -0.532 0.000 0.972 336 N HN 0.442 nan 8.380 nan 0.000 0.434 337 E N 1.031 121.096 120.200 -0.226 0.000 2.118 337 E HA -0.220 4.130 4.350 0.000 0.000 0.195 337 E C 1.248 177.663 176.600 -0.309 0.000 0.992 337 E CA 1.451 57.699 56.400 -0.254 0.000 0.804 337 E CB -0.834 28.634 29.700 -0.387 0.000 0.741 337 E HN 0.626 nan 8.360 nan 0.000 0.458 338 H N 0.496 119.302 119.070 -0.440 0.000 2.357 338 H HA -0.018 4.538 4.556 0.000 0.000 0.301 338 H C 2.169 177.452 175.328 -0.076 0.000 1.082 338 H CA 1.649 57.294 56.048 -0.671 0.000 1.342 338 H CB -0.279 28.569 29.762 -1.523 0.000 1.389 338 H HN 0.291 nan 8.280 nan 0.000 0.511 339 H N 0.534 119.701 119.070 0.162 0.000 2.357 339 H HA -0.095 4.461 4.556 0.000 0.000 0.301 339 H C 1.528 177.028 175.328 0.288 0.000 1.082 339 H CA 1.266 57.462 56.048 0.247 0.000 1.342 339 H CB -0.206 29.714 29.762 0.264 0.000 1.389 339 H HN 0.430 nan 8.280 nan 0.000 0.511 340 D N 0.370 121.006 120.400 0.393 0.000 2.097 340 D HA -0.148 4.492 4.640 0.000 0.000 0.195 340 D C 2.153 178.630 176.300 0.296 0.000 0.989 340 D CA 0.651 54.832 54.000 0.301 0.000 0.827 340 D CB -0.635 40.311 40.800 0.243 0.000 0.966 340 D HN 0.249 nan 8.370 nan 0.000 0.456 341 F N 1.841 121.910 119.950 0.198 0.000 2.069 341 F HA -0.222 4.305 4.527 0.000 0.000 0.298 341 F C 1.893 177.884 175.800 0.318 0.000 1.113 341 F CA 1.458 59.609 58.000 0.252 0.000 1.214 341 F CB 0.079 39.280 39.000 0.334 0.000 0.978 341 F HN -0.203 nan 8.300 nan 0.000 0.474 342 D N 0.774 121.618 120.400 0.740 0.000 2.104 342 D HA -0.207 4.433 4.640 0.000 0.000 0.194 342 D C 2.356 178.925 176.300 0.449 0.000 0.994 342 D CA 1.689 56.053 54.000 0.606 0.000 0.830 342 D CB -0.602 40.466 40.800 0.445 0.000 0.959 342 D HN 0.348 nan 8.370 nan 0.000 0.452 343 L N 0.401 121.829 121.223 0.340 0.000 2.141 343 L HA -0.103 4.237 4.340 0.000 0.000 0.209 343 L C 2.474 179.432 176.870 0.147 0.000 1.094 343 L CA 0.819 55.805 54.840 0.242 0.000 0.763 343 L CB -0.361 41.822 42.059 0.207 0.000 0.908 343 L HN -0.021 nan 8.230 nan 0.000 0.437 344 A N 0.311 123.187 122.820 0.094 0.000 1.877 344 A HA -0.184 4.136 4.320 0.000 0.000 0.216 344 A C 2.580 180.157 177.584 -0.011 0.000 1.186 344 A CA 1.765 53.798 52.037 -0.007 0.000 0.620 344 A CB -0.746 18.182 19.000 -0.121 0.000 0.822 344 A HN 0.377 nan 8.150 nan 0.000 0.443 345 A N -0.065 122.759 122.820 0.005 0.000 1.883 345 A HA -0.147 4.173 4.320 0.000 0.000 0.217 345 A C 2.126 179.758 177.584 0.079 0.000 1.186 345 A CA 1.711 53.791 52.037 0.070 0.000 0.624 345 A CB -0.721 18.403 19.000 0.206 0.000 0.822 345 A HN 0.497 nan 8.150 nan 0.000 0.444 346 I N -0.667 119.967 120.570 0.108 0.000 2.264 346 I HA -0.307 3.863 4.170 0.000 0.000 0.248 346 I C 2.743 178.865 176.117 0.009 0.000 1.111 346 I CA 1.225 62.549 61.300 0.041 0.000 1.382 346 I CB -0.252 37.799 38.000 0.085 0.000 1.060 346 I HN 0.318 nan 8.210 nan 0.000 0.418 347 M N -0.356 119.260 119.600 0.027 0.000 2.064 347 M HA -0.237 4.243 4.480 0.000 0.000 0.260 347 M C 2.220 178.510 176.300 -0.017 0.000 1.073 347 M CA 1.707 57.011 55.300 0.006 0.000 1.124 347 M CB -1.278 31.332 32.600 0.017 0.000 1.326 347 M HN 0.316 nan 8.290 nan 0.000 0.410 348 D N 0.220 120.613 120.400 -0.012 0.000 2.172 348 D HA -0.157 4.483 4.640 0.000 0.000 0.196 348 D C 1.868 178.112 176.300 -0.092 0.000 0.999 348 D CA 1.207 55.195 54.000 -0.019 0.000 0.856 348 D CB 0.140 40.953 40.800 0.023 0.000 0.934 348 D HN 0.148 nan 8.370 nan 0.000 0.453 349 V N -0.123 119.684 119.914 -0.179 0.000 3.305 349 V HA 0.045 4.166 4.120 0.000 0.000 0.269 349 V C 1.450 177.439 176.094 -0.174 0.000 1.157 349 V CA 1.433 63.472 62.300 -0.434 0.000 1.157 349 V CB -0.306 31.094 31.823 -0.705 0.000 0.772 349 V HN 0.570 nan 8.190 nan 0.000 0.498 350 G N -0.349 108.426 108.800 -0.041 0.000 2.142 350 G HA2 -0.115 3.845 3.960 0.000 0.000 0.225 350 G HA3 -0.115 3.845 3.960 0.000 0.000 0.225 350 G C 0.194 175.144 174.900 0.083 0.000 1.015 350 G CA 0.191 45.319 45.100 0.046 0.000 0.716 350 G HN 1.259 nan 8.290 nan 0.000 0.508 351 A N -0.076 122.761 122.820 0.028 0.000 2.445 351 A HA 0.714 5.034 4.320 0.000 0.000 0.242 351 A C 1.471 178.941 177.584 -0.189 0.000 1.075 351 A CA 1.413 53.362 52.037 -0.146 0.000 0.777 351 A CB 0.391 19.341 19.000 -0.084 0.000 1.013 351 A HN 1.644 nan 8.150 nan 0.000 0.493 352 T N -2.199 112.168 114.554 -0.311 0.000 3.040 352 T HA 0.428 4.778 4.350 0.000 0.000 0.266 352 T C 0.206 174.819 174.700 -0.145 0.000 1.005 352 T CA 0.486 62.454 62.100 -0.220 0.000 0.906 352 T CB -0.016 68.640 68.868 -0.353 0.000 1.082 352 T HN 0.993 nan 8.240 nan 0.000 0.531 353 T N 0.906 115.364 114.554 -0.160 0.000 3.393 353 T HA 0.532 4.882 4.350 0.000 0.000 0.359 353 T C -1.956 172.766 174.700 0.037 0.000 1.380 353 T CA -0.390 61.680 62.100 -0.050 0.000 1.132 353 T CB 1.622 70.407 68.868 -0.138 0.000 1.284 353 T HN 0.094 nan 8.240 nan 0.000 0.477 354 V N 4.889 124.805 119.914 0.004 0.000 2.680 354 V HA 0.679 4.799 4.120 0.000 0.000 0.309 354 V C 0.080 175.896 176.094 -0.463 0.000 1.052 354 V CA -1.065 61.060 62.300 -0.290 0.000 0.908 354 V CB 1.996 33.369 31.823 -0.751 0.000 1.001 354 V HN 0.810 nan 8.190 nan 0.000 0.431 355 R N 3.127 123.175 120.500 -0.754 0.000 2.287 355 R HA 0.390 4.730 4.340 0.000 0.000 0.316 355 R C -1.235 174.542 176.300 -0.873 0.000 1.050 355 R CA -0.473 54.952 56.100 -1.126 0.000 0.983 355 R CB 0.289 29.506 30.300 -1.804 0.000 1.140 355 R HN 0.642 nan 8.270 nan 0.000 0.528 356 F N 3.613 123.309 119.950 -0.423 0.000 2.678 356 F HA 0.194 4.721 4.527 0.000 0.000 0.358 356 F C 1.139 176.583 175.800 -0.593 0.000 1.256 356 F CA -0.170 57.596 58.000 -0.389 0.000 1.278 356 F CB 0.256 39.185 39.000 -0.118 0.000 1.681 356 F HN 0.487 nan 8.300 nan 0.000 0.661 357 A N 1.305 123.706 122.820 -0.699 0.000 2.332 357 A HA 0.277 4.598 4.320 0.000 0.000 0.258 357 A C 0.440 177.136 177.584 -1.480 0.000 1.087 357 A CA -0.426 51.063 52.037 -0.912 0.000 0.802 357 A CB 0.321 18.680 19.000 -1.070 0.000 1.042 357 A HN 0.606 nan 8.150 nan 0.000 0.489 358 H N 0.424 118.693 119.070 -1.335 0.000 2.490 358 H HA 0.319 4.875 4.556 0.000 0.000 0.285 358 H C -1.479 173.655 175.328 -0.323 0.000 1.127 358 H CA 0.359 56.095 56.048 -0.521 0.000 0.993 358 H CB -0.218 29.444 29.762 -0.167 0.000 1.653 358 H HN 0.646 nan 8.280 nan 0.000 0.557 359 Y N -2.578 117.631 120.300 -0.151 0.000 2.677 359 Y HA 0.221 4.771 4.550 0.000 0.000 0.334 359 Y C -0.309 175.572 175.900 -0.032 0.000 1.196 359 Y CA -1.419 56.566 58.100 -0.191 0.000 1.059 359 Y CB 0.564 38.518 38.460 -0.843 0.000 1.315 359 Y HN -0.118 nan 8.280 nan 0.000 0.455 360 Q N 1.936 121.946 119.800 0.350 0.000 2.283 360 Q HA 0.139 4.479 4.340 0.000 0.000 0.301 360 Q C -0.803 175.432 176.000 0.392 0.000 1.063 360 Q CA 0.420 56.458 55.803 0.391 0.000 0.952 360 Q CB 0.652 29.626 28.738 0.393 0.000 1.166 360 Q HN 0.757 nan 8.270 nan 0.000 0.381 361 Q N 1.457 121.350 119.800 0.155 0.000 2.486 361 Q HA 0.329 4.669 4.340 0.000 0.000 0.274 361 Q C -0.606 175.085 176.000 -0.515 0.000 1.076 361 Q CA -0.772 54.959 55.803 -0.120 0.000 0.872 361 Q CB 1.686 30.230 28.738 -0.324 0.000 1.383 361 Q HN 0.741 nan 8.270 nan 0.000 0.478 362 S N 0.022 115.413 115.700 -0.514 0.000 2.558 362 S HA -0.111 4.359 4.470 0.000 0.000 0.291 362 S C 0.496 174.690 174.600 -0.676 0.000 1.306 362 S CA 0.200 58.119 58.200 -0.468 0.000 1.056 362 S CB 0.361 63.266 63.200 -0.491 0.000 0.836 362 S HN 0.681 nan 8.310 nan 0.000 0.504 363 D N 2.096 122.325 120.400 -0.285 0.000 2.194 363 D HA -0.085 4.555 4.640 0.000 0.000 0.204 363 D C 1.516 177.771 176.300 -0.075 0.000 0.964 363 D CA 1.345 55.280 54.000 -0.108 0.000 0.846 363 D CB -0.231 40.647 40.800 0.130 0.000 0.962 363 D HN 0.786 nan 8.370 nan 0.000 0.490 364 Y N 0.527 120.742 120.300 -0.141 0.000 2.145 364 Y HA -0.187 4.363 4.550 0.000 0.000 0.286 364 Y C 1.993 177.814 175.900 -0.132 0.000 1.145 364 Y CA 1.459 59.519 58.100 -0.066 0.000 1.148 364 Y CB -0.455 38.004 38.460 -0.000 0.000 0.981 364 Y HN 0.067 nan 8.280 nan 0.000 0.507 365 L N -0.563 120.422 121.223 -0.397 0.000 2.043 365 L HA -0.282 4.058 4.340 0.000 0.000 0.212 365 L C 2.004 178.636 176.870 -0.398 0.000 1.075 365 L CA 1.860 56.405 54.840 -0.491 0.000 0.752 365 L CB -0.909 40.729 42.059 -0.701 0.000 0.891 365 L HN 0.279 nan 8.230 nan 0.000 0.432 366 Y N -0.545 119.478 120.300 -0.461 0.000 2.293 366 Y HA -0.121 4.429 4.550 0.000 0.000 0.291 366 Y C 2.819 178.398 175.900 -0.536 0.000 1.137 366 Y CA 1.022 58.779 58.100 -0.572 0.000 1.202 366 Y CB -1.123 36.813 38.460 -0.873 0.000 0.990 366 Y HN 0.242 nan 8.280 nan 0.000 0.537 367 S N -0.393 115.185 115.700 -0.203 0.000 2.406 367 S HA -0.093 4.377 4.470 0.000 0.000 0.228 367 S C 2.053 176.619 174.600 -0.057 0.000 1.020 367 S CA 0.522 58.731 58.200 0.015 0.000 0.965 367 S CB -0.014 63.239 63.200 0.089 0.000 0.798 367 S HN 0.334 nan 8.310 nan 0.000 0.488 368 R N 0.914 121.287 120.500 -0.211 0.000 2.115 368 R HA 0.069 4.409 4.340 0.000 0.000 0.230 368 R C 2.252 178.563 176.300 0.019 0.000 1.111 368 R CA 0.715 56.727 56.100 -0.147 0.000 0.976 368 R CB -1.421 28.719 30.300 -0.266 0.000 0.870 368 R HN 0.417 nan 8.270 nan 0.000 0.445 369 C N 1.000 120.336 119.300 0.061 0.000 2.435 369 C HA -0.050 4.410 4.460 0.000 0.000 0.279 369 C C 2.060 177.211 174.990 0.269 0.000 1.321 369 C CA 0.348 59.473 59.018 0.178 0.000 1.752 369 C CB -0.662 27.217 27.740 0.231 0.000 1.959 369 C HN 0.431 nan 8.230 nan 0.000 0.500 370 D N 0.655 121.187 120.400 0.220 0.000 2.084 370 D HA -0.108 4.532 4.640 0.000 0.000 0.194 370 D C 2.217 178.770 176.300 0.423 0.000 0.990 370 D CA 1.717 55.893 54.000 0.294 0.000 0.826 370 D CB -0.772 40.122 40.800 0.158 0.000 0.971 370 D HN 0.376 nan 8.370 nan 0.000 0.453 371 T N 0.912 115.597 114.554 0.218 0.000 2.777 371 T HA -0.037 4.313 4.350 0.000 0.000 0.266 371 T C 2.173 176.950 174.700 0.129 0.000 1.040 371 T CA 0.518 62.706 62.100 0.146 0.000 1.141 371 T CB -0.222 68.684 68.868 0.063 0.000 0.868 371 T HN 0.079 nan 8.240 nan 0.000 0.444 372 L N -0.158 121.141 121.223 0.127 0.000 2.179 372 L HA 0.170 4.510 4.340 0.000 0.000 0.208 372 L C 2.030 178.936 176.870 0.061 0.000 1.096 372 L CA 0.938 55.828 54.840 0.083 0.000 0.779 372 L CB -0.200 41.910 42.059 0.085 0.000 0.922 372 L HN 0.567 nan 8.230 nan 0.000 0.443 373 G N -0.746 108.137 108.800 0.139 0.000 2.168 373 G HA2 -0.194 3.766 3.960 0.000 0.000 0.197 373 G HA3 -0.194 3.766 3.960 0.000 0.000 0.197 373 G C -0.165 174.762 174.900 0.046 0.000 0.997 373 G CA -0.605 44.460 45.100 -0.058 0.000 0.658 373 G HN 0.017 nan 8.290 nan 0.000 0.513 374 L N 1.427 122.778 121.223 0.213 0.000 2.410 374 L HA 0.495 4.835 4.340 0.000 0.000 0.273 374 L C 0.915 177.993 176.870 0.345 0.000 1.144 374 L CA -0.338 54.624 54.840 0.204 0.000 0.863 374 L CB 0.789 42.957 42.059 0.181 0.000 1.140 374 L HN 0.212 nan 8.230 nan 0.000 0.463 375 I N 6.093 126.810 120.570 0.244 0.000 2.312 375 I HA 0.313 4.483 4.170 0.000 0.000 0.291 375 I C 0.276 176.509 176.117 0.194 0.000 1.031 375 I CA -0.080 61.361 61.300 0.235 0.000 1.293 375 I CB 0.424 38.401 38.000 -0.040 0.000 1.403 375 I HN 0.530 nan 8.210 nan 0.000 0.484 376 I N 3.893 124.614 120.570 0.253 0.000 2.934 376 I HA 0.620 4.791 4.170 0.000 0.000 0.306 376 I C -1.633 174.568 176.117 0.140 0.000 1.110 376 I CA -0.691 60.742 61.300 0.223 0.000 1.019 376 I CB 2.550 40.713 38.000 0.272 0.000 1.227 376 I HN 0.614 nan 8.210 nan 0.000 0.434 377 W N 5.179 126.379 121.300 -0.167 0.000 2.587 377 W HA 0.855 5.516 4.660 0.000 0.000 0.324 377 W C -1.547 174.869 176.519 -0.172 0.000 1.040 377 W CA -1.667 55.457 57.345 -0.369 0.000 1.222 377 W CB 1.391 30.560 29.460 -0.485 0.000 1.381 377 W HN 0.829 nan 8.180 nan 0.000 0.483 378 A N 4.287 127.283 122.820 0.294 0.000 2.356 378 A HA 0.774 5.094 4.320 0.000 0.000 0.323 378 A C -1.332 176.484 177.584 0.386 0.000 1.119 378 A CA -0.635 51.619 52.037 0.362 0.000 0.790 378 A CB 1.902 21.042 19.000 0.232 0.000 1.273 378 A HN 0.702 nan 8.150 nan 0.000 0.452 379 E N 0.438 120.853 120.200 0.358 0.000 2.390 379 E HA 0.585 4.935 4.350 0.000 0.000 0.277 379 E C -1.391 175.354 176.600 0.241 0.000 0.939 379 E CA -0.644 55.944 56.400 0.313 0.000 0.769 379 E CB 1.846 31.758 29.700 0.353 0.000 1.251 379 E HN 0.731 nan 8.360 nan 0.000 0.450 380 I N -0.116 120.588 120.570 0.222 0.000 2.460 380 I HA 0.550 4.720 4.170 0.000 0.000 0.298 380 I C -2.184 174.079 176.117 0.244 0.000 0.989 380 I CA -2.577 58.857 61.300 0.223 0.000 1.173 380 I CB 1.804 39.914 38.000 0.184 0.000 1.338 380 I HN 0.294 nan 8.210 nan 0.000 0.456 381 P HA 0.031 nan 4.420 nan 0.000 0.228 381 P C -0.006 177.458 177.300 0.273 0.000 1.748 381 P CA -0.037 63.270 63.100 0.344 0.000 0.909 381 P CB -0.540 31.439 31.700 0.464 0.000 1.882 382 C N 2.710 122.139 119.300 0.215 0.000 2.400 382 C HA 0.363 4.824 4.460 0.000 0.000 0.457 382 C C 0.595 175.658 174.990 0.122 0.000 1.020 382 C CA -0.325 58.794 59.018 0.167 0.000 1.258 382 C CB -2.132 25.709 27.740 0.168 0.000 1.532 382 C HN 0.344 nan 8.230 nan 0.000 0.537 383 V N 3.760 123.728 119.914 0.091 0.000 2.914 383 V HA 0.645 4.765 4.120 0.000 0.000 0.314 383 V C 0.554 176.638 176.094 -0.016 0.000 1.084 383 V CA -0.126 62.178 62.300 0.008 0.000 0.963 383 V CB 1.597 33.425 31.823 0.008 0.000 1.025 383 V HN 0.816 nan 8.190 nan 0.000 0.432 384 N N 0.966 119.623 118.700 -0.072 0.000 1.904 384 N HA -0.199 4.541 4.740 0.000 0.000 0.217 384 N C 0.036 175.536 175.510 -0.017 0.000 1.020 384 N CA 2.054 55.084 53.050 -0.032 0.000 3.606 384 N CB -0.362 38.140 38.487 0.025 0.000 0.733 384 N HN 0.899 nan 8.380 nan 0.000 0.351 385 R N 0.497 120.996 120.500 -0.003 0.000 2.604 385 R HA 0.437 4.777 4.340 0.000 0.000 0.270 385 R C -0.599 175.720 176.300 0.033 0.000 1.052 385 R CA -0.344 55.772 56.100 0.027 0.000 0.902 385 R CB 2.047 32.378 30.300 0.052 0.000 1.233 385 R HN 0.119 nan 8.270 nan 0.000 0.455 386 V N -1.300 118.642 119.914 0.048 0.000 2.630 386 V HA 0.580 4.700 4.120 0.000 0.000 0.305 386 V C 1.050 177.145 176.094 0.002 0.000 1.046 386 V CA -0.233 62.116 62.300 0.081 0.000 0.934 386 V CB 1.624 33.572 31.823 0.208 0.000 1.003 386 V HN 0.992 nan 8.190 nan 0.000 0.451 387 T N -1.125 113.402 114.554 -0.045 0.000 2.990 387 T HA 0.432 4.782 4.350 0.000 0.000 0.249 387 T C 1.482 175.857 174.700 -0.541 0.000 1.039 387 T CA 1.055 63.068 62.100 -0.145 0.000 1.036 387 T CB 0.358 69.247 68.868 0.035 0.000 0.994 387 T HN 2.350 nan 8.240 nan 0.000 0.489 388 G N 0.678 109.031 108.800 -0.746 0.000 2.176 388 G HA2 -0.208 3.752 3.960 0.000 0.000 0.232 388 G HA3 -0.208 3.752 3.960 0.000 0.000 0.232 388 G C 0.180 174.516 174.900 -0.940 0.000 0.986 388 G CA 0.176 44.444 45.100 -1.387 0.000 0.643 388 G HN 0.548 nan 8.290 nan 0.000 0.522 389 Y N 0.356 120.609 120.300 -0.079 0.000 2.707 389 Y HA 0.331 4.881 4.550 0.000 0.000 0.249 389 Y C 1.522 177.465 175.900 0.071 0.000 1.166 389 Y CA -0.203 57.902 58.100 0.009 0.000 1.184 389 Y CB 0.555 39.008 38.460 -0.012 0.000 1.240 389 Y HN 0.430 nan 8.280 nan 0.000 0.547 390 E N -1.684 118.652 120.200 0.226 0.000 2.548 390 E HA 0.136 4.486 4.350 0.000 0.000 0.206 390 E C 0.538 177.239 176.600 0.169 0.000 1.005 390 E CA 0.318 56.831 56.400 0.188 0.000 0.951 390 E CB -0.075 29.726 29.700 0.170 0.000 1.035 390 E HN 0.137 nan 8.360 nan 0.000 0.470 391 T N 1.983 116.650 114.554 0.189 0.000 2.698 391 T HA -0.102 4.248 4.350 0.000 0.000 0.260 391 T C 1.531 176.287 174.700 0.093 0.000 1.044 391 T CA 1.575 63.755 62.100 0.134 0.000 1.149 391 T CB -0.089 68.863 68.868 0.140 0.000 0.864 391 T HN 0.282 nan 8.240 nan 0.000 0.419 392 E N 1.095 121.350 120.200 0.092 0.000 2.171 392 E HA -0.157 4.194 4.350 0.000 0.000 0.197 392 E C 2.217 178.847 176.600 0.050 0.000 0.997 392 E CA 0.778 57.215 56.400 0.062 0.000 0.810 392 E CB -0.131 29.603 29.700 0.057 0.000 0.738 392 E HN 0.420 nan 8.360 nan 0.000 0.467 393 N N 0.184 118.920 118.700 0.060 0.000 2.333 393 N HA -0.055 4.685 4.740 0.000 0.000 0.178 393 N C 1.768 177.316 175.510 0.062 0.000 1.018 393 N CA 0.811 53.887 53.050 0.044 0.000 0.882 393 N CB 0.158 38.672 38.487 0.046 0.000 0.984 393 N HN 0.087 nan 8.380 nan 0.000 0.434 394 A N 1.215 124.084 122.820 0.081 0.000 1.855 394 A HA -0.133 4.188 4.320 0.000 0.000 0.215 394 A C 2.112 179.734 177.584 0.064 0.000 1.191 394 A CA 1.082 53.173 52.037 0.089 0.000 0.613 394 A CB -0.736 18.322 19.000 0.096 0.000 0.829 394 A HN 0.388 nan 8.150 nan 0.000 0.442 395 Q N -0.539 119.290 119.800 0.048 0.000 2.173 395 Q HA -0.196 4.145 4.340 0.000 0.000 0.208 395 Q C 2.424 178.437 176.000 0.022 0.000 0.989 395 Q CA 1.936 57.755 55.803 0.027 0.000 0.872 395 Q CB -0.251 28.500 28.738 0.021 0.000 0.909 395 Q HN 0.691 nan 8.270 nan 0.000 0.420 396 S N -0.180 115.539 115.700 0.031 0.000 2.387 396 S HA -0.147 4.323 4.470 0.000 0.000 0.226 396 S C 1.836 176.468 174.600 0.054 0.000 1.026 396 S CA 0.968 59.185 58.200 0.030 0.000 0.972 396 S CB 0.041 63.248 63.200 0.012 0.000 0.814 396 S HN 0.341 nan 8.310 nan 0.000 0.477 397 Q N -0.088 119.756 119.800 0.072 0.000 2.123 397 Q HA -0.024 4.317 4.340 0.000 0.000 0.199 397 Q C 2.105 178.160 176.000 0.092 0.000 0.966 397 Q CA 1.160 57.036 55.803 0.121 0.000 0.845 397 Q CB -0.268 28.568 28.738 0.163 0.000 0.907 397 Q HN 0.454 nan 8.270 nan 0.000 0.439 398 L N 1.003 122.253 121.223 0.045 0.000 2.131 398 L HA -0.181 4.159 4.340 0.000 0.000 0.210 398 L C 2.259 179.069 176.870 -0.101 0.000 1.092 398 L CA 1.787 56.611 54.840 -0.027 0.000 0.759 398 L CB -0.313 41.725 42.059 -0.035 0.000 0.903 398 L HN 0.045 nan 8.230 nan 0.000 0.435 399 R N -0.705 119.766 120.500 -0.048 0.000 2.100 399 R HA -0.045 4.295 4.340 0.000 0.000 0.220 399 R C 2.050 178.337 176.300 -0.022 0.000 1.091 399 R CA 1.192 57.252 56.100 -0.066 0.000 0.986 399 R CB -0.245 30.036 30.300 -0.031 0.000 0.888 399 R HN 0.419 nan 8.270 nan 0.000 0.444 400 E N 0.574 120.803 120.200 0.049 0.000 2.077 400 E HA -0.206 4.145 4.350 0.000 0.000 0.193 400 E C 1.829 178.480 176.600 0.085 0.000 0.989 400 E CA 1.323 57.786 56.400 0.105 0.000 0.800 400 E CB -0.173 29.642 29.700 0.192 0.000 0.746 400 E HN 0.226 nan 8.360 nan 0.000 0.452 401 L N 1.300 122.554 121.223 0.051 0.000 1.956 401 L HA -0.225 4.115 4.340 0.000 0.000 0.216 401 L C 2.077 178.863 176.870 -0.139 0.000 1.073 401 L CA 1.771 56.626 54.840 0.025 0.000 0.762 401 L CB -0.481 41.580 42.059 0.004 0.000 0.889 401 L HN 0.122 nan 8.230 nan 0.000 0.433 402 I N -0.652 119.660 120.570 -0.431 0.000 2.099 402 I HA -0.349 3.821 4.170 0.000 0.000 0.239 402 I C 2.732 178.861 176.117 0.021 0.000 1.066 402 I CA 1.720 62.663 61.300 -0.596 0.000 1.324 402 I CB -0.452 37.148 38.000 -0.667 0.000 1.037 402 I HN 0.292 nan 8.210 nan 0.000 0.401 403 R N 0.502 121.052 120.500 0.082 0.000 2.091 403 R HA -0.202 4.138 4.340 0.000 0.000 0.238 403 R C 2.282 178.734 176.300 0.253 0.000 1.136 403 R CA 1.503 57.760 56.100 0.261 0.000 0.959 403 R CB -0.415 29.999 30.300 0.191 0.000 0.856 403 R HN 0.567 nan 8.270 nan 0.000 0.437 404 Q N -0.214 119.689 119.800 0.173 0.000 2.172 404 Q HA -0.013 4.327 4.340 0.000 0.000 0.200 404 Q C 1.441 177.577 176.000 0.226 0.000 0.964 404 Q CA 1.333 57.232 55.803 0.160 0.000 0.855 404 Q CB 0.270 29.106 28.738 0.163 0.000 0.918 404 Q HN 0.209 nan 8.270 nan 0.000 0.444 405 S N -0.048 115.832 115.700 0.300 0.000 2.540 405 S HA 0.074 4.544 4.470 0.000 0.000 0.218 405 S C 1.011 175.864 174.600 0.422 0.000 0.977 405 S CA -0.477 57.987 58.200 0.440 0.000 0.918 405 S CB -0.041 63.421 63.200 0.438 0.000 0.806 405 S HN 0.269 nan 8.310 nan 0.000 0.496 406 F N 3.874 123.948 119.950 0.207 0.000 2.115 406 F HA -0.218 4.309 4.527 0.000 0.000 0.300 406 F C 1.638 177.518 175.800 0.133 0.000 1.092 406 F CA 1.511 59.654 58.000 0.239 0.000 1.245 406 F CB -0.167 38.997 39.000 0.272 0.000 0.995 406 F HN 0.192 nan 8.300 nan 0.000 0.481 407 N N -1.005 117.775 118.700 0.134 0.000 2.461 407 N HA -0.074 4.666 4.740 0.000 0.000 0.188 407 N C -0.271 175.131 175.510 -0.180 0.000 1.134 407 N CA 0.354 53.382 53.050 -0.036 0.000 0.878 407 N CB -0.564 37.871 38.487 -0.087 0.000 0.972 407 N HN 0.316 nan 8.380 nan 0.000 0.456 408 H N 1.735 120.784 119.070 -0.036 0.000 3.017 408 H HA 0.059 4.615 4.556 0.000 0.000 0.276 408 H C -1.126 174.065 175.328 -0.228 0.000 1.062 408 H CA -1.160 54.822 56.048 -0.111 0.000 1.486 408 H CB 1.006 30.720 29.762 -0.079 0.000 1.507 408 H HN 0.115 nan 8.280 nan 0.000 0.508 409 P HA -0.200 nan 4.420 nan 0.000 0.216 409 P C 1.573 178.571 177.300 -0.503 0.000 1.150 409 P CA 1.427 64.201 63.100 -0.544 0.000 0.843 409 P CB 0.245 31.314 31.700 -1.053 0.000 0.787 410 S N 0.361 115.831 115.700 -0.384 0.000 2.374 410 S HA -0.167 4.303 4.470 0.000 0.000 0.227 410 S C 1.260 175.891 174.600 0.051 0.000 1.037 410 S CA 0.720 58.891 58.200 -0.047 0.000 1.024 410 S CB -1.692 61.574 63.200 0.111 0.000 0.861 410 S HN 0.101 nan 8.310 nan 0.000 0.456 411 I N 2.356 122.880 120.570 -0.077 0.000 2.668 411 I HA 0.017 4.187 4.170 0.000 0.000 0.285 411 I C 1.135 177.148 176.117 -0.173 0.000 1.168 411 I CA 0.023 61.184 61.300 -0.232 0.000 1.424 411 I CB 0.519 38.240 38.000 -0.465 0.000 1.377 411 I HN 0.479 nan 8.210 nan 0.000 0.560 412 Y N 5.663 125.743 120.300 -0.366 0.000 2.467 412 Y HA 0.612 5.162 4.550 0.000 0.000 0.259 412 Y C -0.099 175.595 175.900 -0.343 0.000 1.084 412 Y CA -0.290 57.608 58.100 -0.337 0.000 1.275 412 Y CB 0.355 38.482 38.460 -0.554 0.000 1.208 412 Y HN 0.296 nan 8.280 nan 0.000 0.511 413 V N 0.211 119.454 119.914 -1.118 0.000 3.147 413 V HA 0.488 4.608 4.120 0.000 0.000 0.306 413 V C -2.227 173.208 176.094 -1.098 0.000 1.209 413 V CA -1.290 60.377 62.300 -1.056 0.000 1.023 413 V CB 1.835 32.936 31.823 -1.203 0.000 1.059 413 V HN 0.280 nan 8.190 nan 0.000 0.435 414 W N 2.816 123.840 121.300 -0.460 0.000 2.587 414 W HA 0.753 5.413 4.660 0.000 0.000 0.324 414 W C 0.463 176.702 176.519 -0.466 0.000 1.040 414 W CA -0.811 56.310 57.345 -0.374 0.000 1.222 414 W CB 1.887 31.233 29.460 -0.190 0.000 1.381 414 W HN 0.865 nan 8.180 nan 0.000 0.483 415 G N 2.547 111.228 108.800 -0.198 0.000 2.325 415 G HA2 0.389 4.349 3.960 0.000 0.000 0.298 415 G HA3 0.389 4.349 3.960 0.000 0.000 0.298 415 G C -0.036 174.882 174.900 0.030 0.000 1.134 415 G CA -0.364 44.631 45.100 -0.176 0.000 0.876 415 G HN 0.462 nan 8.290 nan 0.000 0.452 416 L N 1.575 122.779 121.223 -0.033 0.000 2.200 416 L HA 0.265 4.605 4.340 0.000 0.000 0.200 416 L C 1.470 178.394 176.870 0.090 0.000 1.072 416 L CA 1.159 56.007 54.840 0.014 0.000 0.787 416 L CB -0.918 41.122 42.059 -0.031 0.000 0.957 416 L HN 0.800 nan 8.230 nan 0.000 0.459 417 H N -2.561 116.555 119.070 0.078 0.000 3.037 417 H HA 0.405 4.961 4.556 0.000 0.000 0.355 417 H C -1.368 173.994 175.328 0.057 0.000 1.263 417 H CA -0.900 55.183 56.048 0.058 0.000 1.129 417 H CB 1.749 31.515 29.762 0.007 0.000 1.861 417 H HN -0.001 nan 8.280 nan 0.000 0.546 418 N N 1.239 120.110 118.700 0.286 0.000 2.540 418 N HA 0.151 4.891 4.740 0.000 0.000 0.275 418 N C -1.437 174.064 175.510 -0.015 0.000 1.053 418 N CA -0.310 52.837 53.050 0.161 0.000 0.876 418 N CB 1.046 39.571 38.487 0.063 0.000 1.284 418 N HN 0.824 nan 8.380 nan 0.000 0.518 419 E N 0.737 120.885 120.200 -0.088 0.000 2.257 419 E HA -0.138 4.212 4.350 0.000 0.000 0.217 419 E C -1.105 175.012 176.600 -0.805 0.000 1.248 419 E CA 0.577 56.724 56.400 -0.422 0.000 0.691 419 E CB -1.089 28.519 29.700 -0.152 0.000 1.185 419 E HN 0.396 nan 8.360 nan 0.000 0.377 420 V N -1.958 117.363 119.914 -0.989 0.000 2.604 420 V HA 0.706 4.826 4.120 0.000 0.000 0.305 420 V C -0.066 175.564 176.094 -0.774 0.000 1.043 420 V CA -0.632 61.232 62.300 -0.726 0.000 0.888 420 V CB 1.291 32.857 31.823 -0.427 0.000 0.995 420 V HN 0.244 nan 8.190 nan 0.000 0.429 421 Y N 0.780 121.139 120.300 0.098 0.000 2.639 421 Y HA 0.456 5.006 4.550 0.000 0.000 0.105 421 Y C 0.740 176.820 175.900 0.300 0.000 0.906 421 Y CA -0.535 57.736 58.100 0.284 0.000 1.834 421 Y CB -0.179 38.510 38.460 0.382 0.000 1.159 421 Y HN 0.431 nan 8.280 nan 0.000 0.238 422 Q N 2.884 122.853 119.800 0.282 0.000 2.352 422 Q HA 0.265 4.606 4.340 0.000 0.000 0.260 422 Q C -2.486 173.550 176.000 0.060 0.000 0.976 422 Q CA -1.738 54.050 55.803 -0.024 0.000 0.881 422 Q CB 0.210 28.879 28.738 -0.116 0.000 1.235 422 Q HN 0.133 nan 8.270 nan 0.000 0.419 423 P HA 0.116 nan 4.420 nan 0.000 0.282 423 P C 0.290 177.680 177.300 0.150 0.000 1.262 423 P CA -0.205 62.908 63.100 0.021 0.000 0.773 423 P CB 0.592 32.309 31.700 0.029 0.000 0.879 424 H N 2.048 121.196 119.070 0.129 0.000 2.319 424 H HA -0.135 4.421 4.556 0.000 0.000 0.299 424 H C 1.331 176.722 175.328 0.106 0.000 1.092 424 H CA 1.700 57.827 56.048 0.131 0.000 1.302 424 H CB -0.354 29.469 29.762 0.102 0.000 1.373 424 H HN 0.484 nan 8.280 nan 0.000 0.497 425 E N -0.073 120.259 120.200 0.221 0.000 2.110 425 E HA -0.168 4.183 4.350 0.000 0.000 0.193 425 E C 2.134 178.815 176.600 0.135 0.000 0.988 425 E CA 0.970 57.458 56.400 0.147 0.000 0.804 425 E CB -0.409 29.362 29.700 0.118 0.000 0.745 425 E HN 0.521 nan 8.360 nan 0.000 0.458 426 Y N 1.006 121.335 120.300 0.048 0.000 2.163 426 Y HA -0.203 4.347 4.550 0.000 0.000 0.288 426 Y C 2.199 178.119 175.900 0.033 0.000 1.136 426 Y CA 1.948 60.062 58.100 0.022 0.000 1.147 426 Y CB -0.537 37.914 38.460 -0.015 0.000 0.987 426 Y HN -0.035 nan 8.280 nan 0.000 0.509 427 T N 0.854 115.428 114.554 0.034 0.000 2.759 427 T HA -0.228 4.122 4.350 0.000 0.000 0.269 427 T C 2.068 176.709 174.700 -0.099 0.000 1.042 427 T CA 1.514 63.569 62.100 -0.074 0.000 1.140 427 T CB -0.764 68.138 68.868 0.057 0.000 0.864 427 T HN 0.506 nan 8.240 nan 0.000 0.455 428 A N 1.266 124.078 122.820 -0.014 0.000 1.929 428 A HA 0.304 4.625 4.320 0.000 0.000 0.216 428 A C 2.654 180.210 177.584 -0.045 0.000 1.176 428 A CA 1.542 53.581 52.037 0.003 0.000 0.628 428 A CB -1.004 18.021 19.000 0.041 0.000 0.816 428 A HN 0.498 nan 8.150 nan 0.000 0.444 429 A N -0.195 122.567 122.820 -0.096 0.000 1.902 429 A HA -0.045 4.275 4.320 0.000 0.000 0.217 429 A C 2.128 179.621 177.584 -0.152 0.000 1.181 429 A CA 1.756 53.730 52.037 -0.105 0.000 0.623 429 A CB -0.636 18.302 19.000 -0.104 0.000 0.818 429 A HN 0.769 nan 8.150 nan 0.000 0.443 430 L N -0.132 120.908 121.223 -0.305 0.000 2.046 430 L HA -0.105 4.235 4.340 0.000 0.000 0.208 430 L C 2.356 179.180 176.870 -0.077 0.000 1.077 430 L CA 2.928 57.609 54.840 -0.265 0.000 0.747 430 L CB -1.181 40.607 42.059 -0.452 0.000 0.896 430 L HN 0.353 nan 8.230 nan 0.000 0.432 431 T N -0.391 114.151 114.554 -0.021 0.000 2.746 431 T HA -0.150 4.200 4.350 0.000 0.000 0.267 431 T C 1.993 176.732 174.700 0.065 0.000 1.039 431 T CA 1.524 63.677 62.100 0.087 0.000 1.142 431 T CB -0.252 68.728 68.868 0.186 0.000 0.866 431 T HN 0.358 nan 8.240 nan 0.000 0.444 432 R N 1.321 121.838 120.500 0.028 0.000 2.096 432 R HA -0.074 4.267 4.340 0.000 0.000 0.235 432 R C 2.880 179.228 176.300 0.080 0.000 1.127 432 R CA 1.692 57.816 56.100 0.041 0.000 0.968 432 R CB -0.335 29.971 30.300 0.010 0.000 0.861 432 R HN 0.507 nan 8.270 nan 0.000 0.440 433 S N 0.128 115.851 115.700 0.039 0.000 2.496 433 S HA 0.042 4.513 4.470 0.000 0.000 0.224 433 S C 1.945 176.570 174.600 0.042 0.000 0.996 433 S CA 0.278 58.499 58.200 0.036 0.000 0.927 433 S CB -0.092 63.114 63.200 0.010 0.000 0.774 433 S HN 0.179 nan 8.310 nan 0.000 0.524 434 L N 0.648 121.904 121.223 0.054 0.000 2.072 434 L HA 0.013 4.353 4.340 0.000 0.000 0.205 434 L C 2.826 179.731 176.870 0.058 0.000 1.079 434 L CA 1.737 56.606 54.840 0.048 0.000 0.752 434 L CB -0.822 41.273 42.059 0.060 0.000 0.906 434 L HN 0.418 nan 8.230 nan 0.000 0.436 435 H N 0.204 119.276 119.070 0.004 0.000 2.319 435 H HA -0.265 4.291 4.556 0.000 0.000 0.299 435 H C 1.913 177.247 175.328 0.010 0.000 1.092 435 H CA 2.345 58.399 56.048 0.009 0.000 1.302 435 H CB -0.028 29.738 29.762 0.007 0.000 1.373 435 H HN 0.326 nan 8.280 nan 0.000 0.497 436 D N -0.640 119.796 120.400 0.060 0.000 2.144 436 D HA -0.147 4.493 4.640 0.000 0.000 0.200 436 D C 2.406 178.670 176.300 -0.060 0.000 0.978 436 D CA 1.075 55.070 54.000 -0.007 0.000 0.833 436 D CB -0.189 40.644 40.800 0.054 0.000 0.961 436 D HN 0.475 nan 8.370 nan 0.000 0.470 437 L N -0.095 121.102 121.223 -0.043 0.000 2.027 437 L HA -0.038 4.302 4.340 0.000 0.000 0.206 437 L C 2.314 179.129 176.870 -0.092 0.000 1.074 437 L CA 1.577 56.382 54.840 -0.058 0.000 0.745 437 L CB -0.534 41.499 42.059 -0.044 0.000 0.898 437 L HN 0.082 nan 8.230 nan 0.000 0.433 438 A N 0.069 122.824 122.820 -0.109 0.000 1.927 438 A HA -0.260 4.060 4.320 0.000 0.000 0.220 438 A C 2.229 179.762 177.584 -0.084 0.000 1.185 438 A CA 2.170 54.136 52.037 -0.119 0.000 0.639 438 A CB -0.533 18.434 19.000 -0.055 0.000 0.820 438 A HN 0.456 nan 8.150 nan 0.000 0.451 439 K N -0.964 119.346 120.400 -0.151 0.000 2.228 439 K HA -0.007 4.314 4.320 0.000 0.000 0.202 439 K C 1.967 178.526 176.600 -0.068 0.000 1.051 439 K CA 1.359 57.571 56.287 -0.125 0.000 0.960 439 K CB -0.674 31.699 32.500 -0.212 0.000 0.743 439 K HN 0.526 nan 8.250 nan 0.000 0.458 440 T N 1.290 115.802 114.554 -0.069 0.000 2.777 440 T HA -0.121 4.230 4.350 0.000 0.000 0.266 440 T C 1.754 176.425 174.700 -0.049 0.000 1.040 440 T CA 1.396 63.464 62.100 -0.055 0.000 1.141 440 T CB -0.020 68.814 68.868 -0.057 0.000 0.868 440 T HN 0.188 nan 8.240 nan 0.000 0.444 441 E N 0.989 121.160 120.200 -0.049 0.000 2.371 441 E HA -0.007 4.343 4.350 0.000 0.000 0.194 441 E C 0.025 176.680 176.600 0.092 0.000 1.012 441 E CA 0.456 56.828 56.400 -0.045 0.000 0.860 441 E CB 0.306 29.953 29.700 -0.088 0.000 0.811 441 E HN 0.380 nan 8.360 nan 0.000 0.502 442 D N -1.560 118.916 120.400 0.126 0.000 2.926 442 D HA 0.042 4.682 4.640 0.000 0.000 0.234 442 D C -2.384 173.990 176.300 0.123 0.000 1.434 442 D CA -0.710 53.445 54.000 0.259 0.000 0.951 442 D CB 0.629 41.671 40.800 0.404 0.000 1.500 442 D HN -0.128 nan 8.370 nan 0.000 0.558 443 P HA 0.030 nan 4.420 nan 0.000 0.239 443 P C 0.332 177.603 177.300 -0.048 0.000 1.184 443 P CA 0.495 63.587 63.100 -0.013 0.000 0.760 443 P CB 0.452 32.141 31.700 -0.019 0.000 0.884 444 D N -0.659 119.718 120.400 -0.039 0.000 2.354 444 D HA 0.064 4.704 4.640 0.000 0.000 0.209 444 D C 0.909 177.102 176.300 -0.179 0.000 1.015 444 D CA 0.434 54.371 54.000 -0.105 0.000 0.867 444 D CB 0.365 41.114 40.800 -0.085 0.000 0.933 444 D HN 0.245 nan 8.370 nan 0.000 0.520 445 R N -0.250 120.162 120.500 -0.147 0.000 2.720 445 R HA 0.377 4.717 4.340 0.000 0.000 0.272 445 R C -0.483 175.675 176.300 -0.235 0.000 0.991 445 R CA -0.736 55.222 56.100 -0.235 0.000 1.010 445 R CB 1.078 31.176 30.300 -0.336 0.000 1.141 445 R HN -0.098 nan 8.270 nan 0.000 0.494 446 Y N 0.144 120.365 120.300 -0.132 0.000 2.357 446 Y HA 0.114 4.665 4.550 0.000 0.000 0.340 446 Y C 1.260 177.049 175.900 -0.185 0.000 1.260 446 Y CA 0.140 58.176 58.100 -0.107 0.000 1.425 446 Y CB 0.838 39.261 38.460 -0.061 0.000 1.326 446 Y HN 0.547 nan 8.280 nan 0.000 0.580 447 T N -1.212 113.396 114.554 0.088 0.000 2.930 447 T HA 0.794 5.144 4.350 0.000 0.000 0.290 447 T C -1.102 173.539 174.700 -0.097 0.000 1.052 447 T CA -0.855 61.244 62.100 -0.001 0.000 1.017 447 T CB 1.700 70.645 68.868 0.128 0.000 1.137 447 T HN 0.617 nan 8.240 nan 0.000 0.511 448 V N 0.532 120.304 119.914 -0.236 0.000 3.204 448 V HA 0.856 4.976 4.120 0.000 0.000 0.298 448 V C -1.521 174.404 176.094 -0.281 0.000 1.328 448 V CA 0.086 62.194 62.300 -0.320 0.000 1.035 448 V CB 2.250 33.654 31.823 -0.699 0.000 1.095 448 V HN 1.676 nan 8.190 nan 0.000 0.442 449 S N 3.397 118.962 115.700 -0.225 0.000 2.550 449 S HA 0.858 5.328 4.470 0.000 0.000 0.270 449 S C -1.770 172.725 174.600 -0.174 0.000 1.145 449 S CA -0.610 57.377 58.200 -0.356 0.000 0.852 449 S CB 1.800 64.597 63.200 -0.673 0.000 1.119 449 S HN 1.116 nan 8.310 nan 0.000 0.465 450 V N 2.965 122.807 119.914 -0.121 0.000 2.588 450 V HA 0.622 4.742 4.120 0.000 0.000 0.304 450 V C -0.533 175.667 176.094 0.177 0.000 1.042 450 V CA -0.696 61.669 62.300 0.108 0.000 0.877 450 V CB 1.783 33.715 31.823 0.182 0.000 0.996 450 V HN 0.972 nan 8.190 nan 0.000 0.425 451 N N 2.628 121.418 118.700 0.150 0.000 2.362 451 N HA 0.464 5.204 4.740 0.000 0.000 0.299 451 N C 0.795 176.385 175.510 0.134 0.000 1.170 451 N CA 0.171 53.314 53.050 0.155 0.000 0.825 451 N CB 2.606 41.157 38.487 0.108 0.000 1.299 451 N HN 0.690 nan 8.380 nan 0.000 0.502 452 G N 0.350 109.258 108.800 0.181 0.000 2.744 452 G HA2 0.040 4.000 3.960 0.000 0.000 0.211 452 G HA3 0.040 4.000 3.960 0.000 0.000 0.211 452 G C -0.076 174.745 174.900 -0.130 0.000 1.146 452 G CA 0.317 45.423 45.100 0.010 0.000 0.787 452 G HN 0.510 nan 8.290 nan 0.000 0.534 453 Y N -0.207 120.114 120.300 0.036 0.000 2.320 453 Y HA 0.437 4.987 4.550 0.000 0.000 0.324 453 Y C 1.740 177.685 175.900 0.076 0.000 1.190 453 Y CA 0.015 58.152 58.100 0.061 0.000 1.215 453 Y CB 1.871 40.416 38.460 0.142 0.000 1.221 453 Y HN -0.032 nan 8.280 nan 0.000 0.486 454 G N 0.504 109.502 108.800 0.329 0.000 2.448 454 G HA2 -0.148 3.812 3.960 0.000 0.000 0.218 454 G HA3 -0.148 3.812 3.960 0.000 0.000 0.218 454 G C 0.069 175.350 174.900 0.636 0.000 1.135 454 G CA 0.205 45.534 45.100 0.381 0.000 0.784 454 G HN 0.844 nan 8.290 nan 0.000 0.543 455 H N -2.126 117.194 119.070 0.415 0.000 2.652 455 H HA 0.552 5.108 4.556 0.000 0.000 0.349 455 H C 1.507 176.983 175.328 0.247 0.000 1.099 455 H CA -0.636 55.613 56.048 0.334 0.000 1.417 455 H CB 1.278 31.182 29.762 0.236 0.000 1.457 455 H HN -0.063 nan 8.280 nan 0.000 0.568 456 M N 1.555 121.239 119.600 0.139 0.000 2.067 456 M HA -0.153 4.327 4.480 0.000 0.000 0.260 456 M C 1.147 177.378 176.300 -0.115 0.000 1.069 456 M CA 1.782 57.006 55.300 -0.128 0.000 1.117 456 M CB -0.331 31.850 32.600 -0.698 0.000 1.334 456 M HN 0.934 nan 8.290 nan 0.000 0.407 457 D N -1.364 119.039 120.400 0.004 0.000 2.323 457 D HA -0.121 4.519 4.640 0.000 0.000 0.239 457 D C 0.310 176.654 176.300 0.072 0.000 1.129 457 D CA -0.014 54.013 54.000 0.044 0.000 0.865 457 D CB -1.425 39.449 40.800 0.122 0.000 0.913 457 D HN 0.453 nan 8.370 nan 0.000 0.517 458 H N 1.786 120.783 119.070 -0.122 0.000 3.173 458 H HA -0.046 4.510 4.556 0.000 0.000 0.311 458 H C -1.426 173.833 175.328 -0.115 0.000 0.972 458 H CA -0.587 55.364 56.048 -0.160 0.000 1.384 458 H CB 1.119 30.665 29.762 -0.359 0.000 1.349 458 H HN -0.104 nan 8.280 nan 0.000 0.582 459 P HA -0.155 nan 4.420 nan 0.000 0.221 459 P C 1.165 178.478 177.300 0.022 0.000 1.141 459 P CA 0.769 63.759 63.100 -0.183 0.000 0.794 459 P CB 0.321 31.727 31.700 -0.489 0.000 0.764 460 V N -2.392 117.679 119.914 0.262 0.000 3.528 460 V HA 0.148 4.268 4.120 0.000 0.000 0.294 460 V C 0.751 176.940 176.094 0.159 0.000 1.404 460 V CA 0.209 62.619 62.300 0.183 0.000 1.065 460 V CB -0.304 31.617 31.823 0.163 0.000 0.904 460 V HN 0.094 nan 8.190 nan 0.000 0.435 461 N N 0.172 118.950 118.700 0.131 0.000 2.405 461 N HA 0.474 5.214 4.740 0.000 0.000 0.269 461 N C 0.601 176.127 175.510 0.027 0.000 1.249 461 N CA -0.371 52.723 53.050 0.073 0.000 0.974 461 N CB 0.640 39.148 38.487 0.036 0.000 1.204 461 N HN 0.017 nan 8.380 nan 0.000 0.565 462 L N -1.166 120.053 121.223 -0.008 0.000 4.560 462 L HA -0.245 4.095 4.340 0.000 0.000 0.415 462 L C 0.194 177.025 176.870 -0.065 0.000 1.123 462 L CA 0.167 54.987 54.840 -0.035 0.000 0.991 462 L CB -1.424 40.618 42.059 -0.029 0.000 2.127 462 L HN 0.575 nan 8.230 nan 0.000 0.765 463 N N -0.161 118.500 118.700 -0.065 0.000 2.280 463 N HA 0.336 5.076 4.740 0.000 0.000 0.192 463 N C 0.705 176.060 175.510 -0.260 0.000 1.109 463 N CA 0.922 53.895 53.050 -0.128 0.000 0.855 463 N CB 0.885 39.349 38.487 -0.039 0.000 0.974 463 N HN 0.544 nan 8.380 nan 0.000 0.482 464 A N -0.035 122.681 122.820 -0.172 0.000 2.443 464 A HA 0.431 4.751 4.320 0.000 0.000 0.278 464 A C 0.304 177.874 177.584 -0.023 0.000 1.252 464 A CA -0.480 51.507 52.037 -0.083 0.000 0.816 464 A CB 0.886 19.885 19.000 -0.002 0.000 1.369 464 A HN -0.159 nan 8.150 nan 0.000 0.446 465 D N -0.339 120.132 120.400 0.119 0.000 2.117 465 D HA 0.015 4.655 4.640 0.000 0.000 0.198 465 D C 0.274 176.599 176.300 0.041 0.000 0.982 465 D CA 1.712 55.798 54.000 0.143 0.000 0.828 465 D CB -0.034 40.943 40.800 0.294 0.000 0.967 465 D HN 0.457 nan 8.370 nan 0.000 0.464 466 I N 0.492 121.055 120.570 -0.012 0.000 2.509 466 I HA 0.190 4.360 4.170 0.000 0.000 0.293 466 I C -0.211 175.885 176.117 -0.036 0.000 1.020 466 I CA -1.021 60.251 61.300 -0.046 0.000 1.088 466 I CB 2.099 40.047 38.000 -0.086 0.000 1.267 466 I HN -0.317 nan 8.210 nan 0.000 0.430 467 Q N 3.932 123.725 119.800 -0.011 0.000 2.278 467 Q HA 0.640 4.980 4.340 0.000 0.000 0.257 467 Q C -0.534 175.508 176.000 0.071 0.000 0.928 467 Q CA -0.335 55.475 55.803 0.012 0.000 0.932 467 Q CB 1.847 30.589 28.738 0.007 0.000 1.221 467 Q HN 0.801 nan 8.270 nan 0.000 0.434 468 G N 3.702 112.565 108.800 0.105 0.000 2.452 468 G HA2 0.710 4.670 3.960 0.000 0.000 0.324 468 G HA3 0.710 4.670 3.960 0.000 0.000 0.324 468 G C -0.993 174.021 174.900 0.189 0.000 1.214 468 G CA -0.730 44.487 45.100 0.195 0.000 0.947 468 G HN 0.608 nan 8.290 nan 0.000 0.478 469 M N 2.000 121.732 119.600 0.220 0.000 2.263 469 M HA 0.285 4.765 4.480 0.000 0.000 0.295 469 M C -1.106 175.248 176.300 0.089 0.000 1.028 469 M CA -0.988 54.422 55.300 0.184 0.000 0.921 469 M CB 2.363 35.150 32.600 0.311 0.000 1.601 469 M HN 0.295 nan 8.290 nan 0.000 0.440 470 N N 3.024 121.728 118.700 0.007 0.000 2.411 470 N HA 0.389 5.129 4.740 0.000 0.000 0.259 470 N C -0.860 174.517 175.510 -0.223 0.000 1.103 470 N CA -0.207 52.776 53.050 -0.111 0.000 0.954 470 N CB 0.592 39.045 38.487 -0.056 0.000 1.085 470 N HN 0.395 nan 8.380 nan 0.000 0.485 471 R N 1.438 121.703 120.500 -0.392 0.000 2.621 471 R HA 0.374 4.714 4.340 0.000 0.000 0.292 471 R C -0.962 175.015 176.300 -0.539 0.000 0.969 471 R CA -0.612 55.155 56.100 -0.555 0.000 0.887 471 R CB 0.735 30.601 30.300 -0.724 0.000 1.180 471 R HN 0.518 nan 8.270 nan 0.000 0.450 472 Y N 2.433 122.516 120.300 -0.361 0.000 2.555 472 Y HA 0.352 4.903 4.550 0.000 0.000 0.317 472 Y C -0.601 175.223 175.900 -0.128 0.000 0.928 472 Y CA -0.663 57.337 58.100 -0.167 0.000 1.116 472 Y CB 0.189 38.559 38.460 -0.150 0.000 1.169 472 Y HN 0.456 nan 8.280 nan 0.000 0.627 473 F N 0.968 120.967 119.950 0.081 0.000 2.629 473 F HA 0.279 4.806 4.527 0.000 0.000 0.377 473 F C 1.596 177.487 175.800 0.152 0.000 1.101 473 F CA 1.553 59.603 58.000 0.083 0.000 1.301 473 F CB 0.317 39.331 39.000 0.024 0.000 1.062 473 F HN 0.529 nan 8.300 nan 0.000 0.583 474 G N 2.172 111.183 108.800 0.352 0.000 2.179 474 G HA2 -0.310 3.651 3.960 0.000 0.000 0.260 474 G HA3 -0.310 3.651 3.960 0.000 0.000 0.260 474 G C 0.674 175.835 174.900 0.435 0.000 0.977 474 G CA 0.347 45.657 45.100 0.351 0.000 0.641 474 G HN 0.796 nan 8.290 nan 0.000 0.533 475 W N -1.098 120.250 121.300 0.080 0.000 4.168 475 W HA 0.287 4.948 4.660 0.000 0.000 0.211 475 W C 1.506 177.880 176.519 -0.242 0.000 1.002 475 W CA 1.061 58.334 57.345 -0.119 0.000 1.903 475 W CB 0.212 29.470 29.460 -0.337 0.000 0.828 475 W HN 0.220 nan 8.180 nan 0.000 0.876 476 Y N 0.771 121.110 120.300 0.065 0.000 2.507 476 Y HA 0.195 4.745 4.550 0.000 0.000 0.263 476 Y C 0.466 176.388 175.900 0.037 0.000 1.093 476 Y CA 0.637 58.654 58.100 -0.138 0.000 1.285 476 Y CB 0.885 39.179 38.460 -0.276 0.000 1.115 476 Y HN -0.250 nan 8.280 nan 0.000 0.533 477 E N 0.628 120.939 120.200 0.186 0.000 2.321 477 E HA 0.295 4.645 4.350 0.000 0.000 0.281 477 E C -0.955 175.762 176.600 0.195 0.000 0.910 477 E CA -0.459 56.026 56.400 0.141 0.000 0.770 477 E CB 1.375 31.092 29.700 0.028 0.000 1.225 477 E HN 0.076 nan 8.360 nan 0.000 0.417 478 K N 1.144 121.665 120.400 0.202 0.000 1.850 478 K HA -0.242 4.078 4.320 0.000 0.000 0.415 478 K C -0.669 176.066 176.600 0.225 0.000 1.767 478 K CA 1.688 58.113 56.287 0.230 0.000 0.759 478 K CB -0.519 32.188 32.500 0.345 0.000 1.141 478 K HN 0.562 nan 8.250 nan 0.000 0.757 479 K N 0.030 120.557 120.400 0.211 0.000 2.295 479 K HA 0.403 4.723 4.320 0.000 0.000 0.239 479 K C 1.299 177.989 176.600 0.149 0.000 0.991 479 K CA -0.594 55.792 56.287 0.164 0.000 0.845 479 K CB 1.064 33.613 32.500 0.082 0.000 1.197 479 K HN 0.364 nan 8.250 nan 0.000 0.441 480 I N 1.272 121.899 120.570 0.096 0.000 2.143 480 I HA -0.390 3.780 4.170 0.000 0.000 0.245 480 I C 1.612 177.674 176.117 -0.092 0.000 1.068 480 I CA 1.687 62.996 61.300 0.015 0.000 1.326 480 I CB -0.181 37.739 38.000 -0.134 0.000 1.028 480 I HN 0.574 nan 8.210 nan 0.000 0.412 481 Q N 0.249 119.883 119.800 -0.277 0.000 2.437 481 Q HA -0.143 4.197 4.340 0.000 0.000 0.210 481 Q C 1.509 177.421 176.000 -0.147 0.000 0.972 481 Q CA 0.862 56.443 55.803 -0.369 0.000 0.903 481 Q CB -0.366 28.098 28.738 -0.457 0.000 0.967 481 Q HN 0.446 nan 8.270 nan 0.000 0.486 482 D N 0.214 120.511 120.400 -0.171 0.000 2.310 482 D HA -0.107 4.534 4.640 0.000 0.000 0.212 482 D C 1.514 177.352 176.300 -0.770 0.000 0.965 482 D CA 0.414 54.224 54.000 -0.316 0.000 0.879 482 D CB -0.013 40.702 40.800 -0.142 0.000 0.921 482 D HN 0.321 nan 8.370 nan 0.000 0.510 483 I N 0.654 120.760 120.570 -0.773 0.000 2.423 483 I HA -0.281 3.889 4.170 0.000 0.000 0.254 483 I C 2.212 178.221 176.117 -0.181 0.000 1.151 483 I CA 1.174 62.104 61.300 -0.617 0.000 1.421 483 I CB 0.143 38.103 38.000 -0.066 0.000 1.079 483 I HN -0.100 nan 8.210 nan 0.000 0.431 484 K N 0.933 121.242 120.400 -0.151 0.000 1.991 484 K HA -0.075 4.245 4.320 0.000 0.000 0.207 484 K C -0.632 175.889 176.600 -0.131 0.000 1.045 484 K CA 1.281 57.477 56.287 -0.152 0.000 0.937 484 K CB -0.976 31.500 32.500 -0.040 0.000 0.720 484 K HN 0.227 nan 8.250 nan 0.000 0.438 485 P HA -0.189 nan 4.420 nan 0.000 0.218 485 P C 1.123 178.413 177.300 -0.016 0.000 1.148 485 P CA 1.104 64.180 63.100 -0.040 0.000 0.822 485 P CB -0.293 31.398 31.700 -0.015 0.000 0.784 486 W N 1.084 122.266 121.300 -0.195 0.000 2.329 486 W HA -0.185 4.476 4.660 0.000 0.000 0.324 486 W C 2.238 178.749 176.519 -0.013 0.000 1.222 486 W CA 1.384 58.681 57.345 -0.080 0.000 1.270 486 W CB -1.297 28.079 29.460 -0.139 0.000 1.167 486 W HN -0.236 nan 8.180 nan 0.000 0.467 487 V N 1.617 121.214 119.914 -0.527 0.000 2.392 487 V HA -0.315 3.805 4.120 0.000 0.000 0.249 487 V C 2.212 178.029 176.094 -0.461 0.000 1.059 487 V CA 2.765 64.612 62.300 -0.754 0.000 1.051 487 V CB -0.612 30.938 31.823 -0.454 0.000 0.658 487 V HN 0.352 nan 8.190 nan 0.000 0.455 488 E N -0.894 119.132 120.200 -0.291 0.000 2.150 488 E HA -0.277 4.073 4.350 0.000 0.000 0.193 488 E C 2.175 178.641 176.600 -0.223 0.000 0.985 488 E CA 1.336 57.626 56.400 -0.184 0.000 0.814 488 E CB -0.083 29.577 29.700 -0.067 0.000 0.752 488 E HN 0.583 nan 8.360 nan 0.000 0.466 489 Q N 0.745 120.421 119.800 -0.207 0.000 2.083 489 Q HA -0.120 4.220 4.340 0.000 0.000 0.198 489 Q C 1.962 177.848 176.000 -0.190 0.000 0.969 489 Q CA 0.886 56.596 55.803 -0.155 0.000 0.838 489 Q CB -0.149 28.552 28.738 -0.060 0.000 0.900 489 Q HN 0.138 nan 8.270 nan 0.000 0.436 490 L N 1.229 122.292 121.223 -0.267 0.000 1.990 490 L HA -0.221 4.119 4.340 0.000 0.000 0.213 490 L C 2.254 178.953 176.870 -0.284 0.000 1.072 490 L CA 2.579 57.322 54.840 -0.161 0.000 0.755 490 L CB -1.106 40.789 42.059 -0.274 0.000 0.889 490 L HN 0.601 nan 8.230 nan 0.000 0.432 491 E N -1.054 118.721 120.200 -0.708 0.000 2.274 491 E HA -0.245 4.105 4.350 0.000 0.000 0.194 491 E C 2.140 178.438 176.600 -0.504 0.000 0.996 491 E CA 1.008 56.776 56.400 -1.054 0.000 0.840 491 E CB -0.293 28.500 29.700 -1.512 0.000 0.772 491 E HN 0.423 nan 8.360 nan 0.000 0.491 492 K N 0.699 120.879 120.400 -0.367 0.000 2.057 492 K HA -0.143 4.177 4.320 0.000 0.000 0.206 492 K C 1.102 177.526 176.600 -0.294 0.000 1.050 492 K CA 1.832 57.957 56.287 -0.270 0.000 0.935 492 K CB 0.180 32.557 32.500 -0.204 0.000 0.715 492 K HN 0.095 nan 8.250 nan 0.000 0.439 493 D N -1.124 119.047 120.400 -0.382 0.000 2.346 493 D HA -0.028 4.612 4.640 0.000 0.000 0.206 493 D C -0.213 175.549 176.300 -0.897 0.000 1.001 493 D CA 0.703 54.303 54.000 -0.667 0.000 0.871 493 D CB 0.430 40.704 40.800 -0.876 0.000 0.943 493 D HN 0.243 nan 8.370 nan 0.000 0.518 494 Y N -0.280 119.981 120.300 -0.064 0.000 2.501 494 Y HA 0.235 4.785 4.550 0.000 0.000 0.331 494 Y C -1.777 174.139 175.900 0.028 0.000 0.950 494 Y CA -1.933 56.185 58.100 0.029 0.000 1.120 494 Y CB 1.062 39.586 38.460 0.105 0.000 1.154 494 Y HN -0.129 nan 8.280 nan 0.000 0.630 495 P HA -0.213 nan 4.420 nan 0.000 0.218 495 P C 0.667 177.892 177.300 -0.124 0.000 1.146 495 P CA 1.865 64.834 63.100 -0.219 0.000 0.813 495 P CB 0.210 31.570 31.700 -0.567 0.000 0.778 496 Y N -1.075 119.342 120.300 0.194 0.000 2.476 496 Y HA 0.157 4.708 4.550 0.000 0.000 0.283 496 Y C 1.441 177.421 175.900 0.133 0.000 1.109 496 Y CA -0.170 58.017 58.100 0.144 0.000 1.246 496 Y CB -1.170 37.351 38.460 0.102 0.000 1.068 496 Y HN -0.081 nan 8.280 nan 0.000 0.552 497 Q N 1.740 121.719 119.800 0.299 0.000 2.315 497 Q HA 0.014 4.354 4.340 0.000 0.000 0.289 497 Q C -0.402 175.615 176.000 0.027 0.000 1.044 497 Q CA 0.600 56.499 55.803 0.161 0.000 0.920 497 Q CB 0.279 29.107 28.738 0.150 0.000 1.214 497 Q HN 0.186 nan 8.270 nan 0.000 0.392 498 K N 2.441 122.828 120.400 -0.021 0.000 2.316 498 K HA 0.299 4.619 4.320 0.000 0.000 0.289 498 K C -0.687 175.831 176.600 -0.135 0.000 1.070 498 K CA -0.160 56.060 56.287 -0.111 0.000 0.928 498 K CB 0.458 32.907 32.500 -0.085 0.000 1.039 498 K HN 0.451 nan 8.250 nan 0.000 0.480 499 L N 3.937 124.998 121.223 -0.270 0.000 2.346 499 L HA 0.529 4.869 4.340 0.000 0.000 0.274 499 L C -1.124 175.706 176.870 -0.065 0.000 1.007 499 L CA -0.513 54.235 54.840 -0.154 0.000 0.818 499 L CB 1.262 43.209 42.059 -0.186 0.000 1.284 499 L HN 0.592 nan 8.230 nan 0.000 0.424 500 M N 5.125 124.778 119.600 0.088 0.000 2.465 500 M HA 0.353 4.833 4.480 0.000 0.000 0.316 500 M C -1.285 175.165 176.300 0.250 0.000 1.121 500 M CA -0.826 54.583 55.300 0.182 0.000 0.934 500 M CB 2.218 35.013 32.600 0.325 0.000 1.692 500 M HN 0.400 nan 8.290 nan 0.000 0.444 501 L N 3.189 124.558 121.223 0.244 0.000 2.282 501 L HA 0.325 4.665 4.340 0.000 0.000 0.287 501 L C 0.846 177.886 176.870 0.284 0.000 1.075 501 L CA 0.508 55.503 54.840 0.259 0.000 0.839 501 L CB 0.516 42.694 42.059 0.197 0.000 1.219 501 L HN 0.886 nan 8.230 nan 0.000 0.434 502 T N 0.394 115.100 114.554 0.253 0.000 3.069 502 T HA 0.348 4.698 4.350 0.000 0.000 0.252 502 T C 0.416 175.188 174.700 0.121 0.000 1.053 502 T CA -0.116 62.121 62.100 0.229 0.000 0.964 502 T CB -0.128 68.831 68.868 0.151 0.000 1.005 502 T HN 0.604 nan 8.240 nan 0.000 0.532 503 E N 0.050 120.317 120.200 0.112 0.000 2.481 503 E HA 0.472 4.822 4.350 0.000 0.000 0.301 503 E C -1.982 174.536 176.600 -0.137 0.000 0.948 503 E CA -1.027 55.369 56.400 -0.006 0.000 0.804 503 E CB 2.081 31.644 29.700 -0.228 0.000 1.265 503 E HN 0.507 nan 8.360 nan 0.000 0.406 504 Y N 1.149 121.278 120.300 -0.285 0.000 2.741 504 Y HA 0.744 5.294 4.550 0.000 0.000 0.339 504 Y C -0.251 175.631 175.900 -0.029 0.000 1.226 504 Y CA -0.020 57.825 58.100 -0.426 0.000 1.072 504 Y CB 1.004 39.366 38.460 -0.164 0.000 1.331 504 Y HN 0.756 nan 8.280 nan 0.000 0.453 505 G N 0.483 109.183 108.800 -0.167 0.000 2.278 505 G HA2 0.597 4.557 3.960 0.000 0.000 0.265 505 G HA3 0.597 4.557 3.960 0.000 0.000 0.265 505 G C -1.496 173.251 174.900 -0.256 0.000 1.329 505 G CA -0.147 44.821 45.100 -0.220 0.000 1.017 505 G HN 2.206 nan 8.290 nan 0.000 0.472 506 A N -1.143 121.449 122.820 -0.379 0.000 2.566 506 A HA 0.730 5.051 4.320 0.000 0.000 0.290 506 A C -1.249 175.854 177.584 -0.801 0.000 1.071 506 A CA 0.137 51.625 52.037 -0.914 0.000 0.658 506 A CB 0.902 19.587 19.000 -0.525 0.000 1.285 506 A HN 0.935 nan 8.150 nan 0.000 0.427 507 D N -0.076 119.535 120.400 -1.315 0.000 2.354 507 D HA 0.604 5.244 4.640 0.000 0.000 0.247 507 D C 0.069 176.245 176.300 -0.206 0.000 1.138 507 D CA 1.172 54.791 54.000 -0.637 0.000 0.958 507 D CB 1.249 41.572 40.800 -0.796 0.000 1.144 507 D HN 1.076 nan 8.370 nan 0.000 0.458 508 A N 1.675 124.469 122.820 -0.044 0.000 2.667 508 A HA 0.266 4.586 4.320 0.000 0.000 0.291 508 A C -1.127 176.492 177.584 0.058 0.000 1.123 508 A CA -0.768 51.302 52.037 0.055 0.000 0.832 508 A CB 0.457 19.483 19.000 0.044 0.000 1.396 508 A HN 0.393 nan 8.150 nan 0.000 0.401 509 N N 3.133 121.879 118.700 0.077 0.000 2.437 509 N HA 0.265 5.005 4.740 0.000 0.000 0.243 509 N C 0.899 176.358 175.510 -0.085 0.000 1.041 509 N CA -0.563 52.444 53.050 -0.071 0.000 0.940 509 N CB 0.505 38.806 38.487 -0.310 0.000 1.133 509 N HN 0.628 nan 8.380 nan 0.000 0.506 510 L N 2.260 123.460 121.223 -0.039 0.000 2.261 510 L HA -0.164 4.176 4.340 0.000 0.000 0.216 510 L C 1.972 178.853 176.870 0.018 0.000 1.114 510 L CA 1.166 56.012 54.840 0.010 0.000 0.777 510 L CB -0.382 41.689 42.059 0.020 0.000 0.910 510 L HN 0.566 nan 8.230 nan 0.000 0.440 511 A N -1.531 121.269 122.820 -0.034 0.000 2.119 511 A HA -0.089 4.232 4.320 0.000 0.000 0.217 511 A C 0.661 178.365 177.584 0.200 0.000 1.153 511 A CA 0.494 52.553 52.037 0.037 0.000 0.692 511 A CB -0.632 18.361 19.000 -0.013 0.000 0.799 511 A HN 0.454 nan 8.150 nan 0.000 0.458 512 H N 0.380 119.463 119.070 0.021 0.000 2.556 512 H HA 0.436 4.992 4.556 0.000 0.000 0.310 512 H C -0.701 174.591 175.328 -0.060 0.000 1.057 512 H CA -0.727 55.286 56.048 -0.059 0.000 1.264 512 H CB 0.694 30.211 29.762 -0.409 0.000 1.404 512 H HN 0.281 nan 8.280 nan 0.000 0.462 513 Q N 2.355 122.285 119.800 0.216 0.000 2.315 513 Q HA 0.401 4.741 4.340 0.000 0.000 0.273 513 Q C -0.695 175.451 176.000 0.242 0.000 1.053 513 Q CA -0.604 55.297 55.803 0.163 0.000 0.817 513 Q CB 3.120 31.922 28.738 0.107 0.000 1.326 513 Q HN 0.743 nan 8.270 nan 0.000 0.423 514 T N -0.978 113.682 114.554 0.178 0.000 3.033 514 T HA 0.144 4.495 4.350 0.000 0.000 0.362 514 T C -0.642 174.104 174.700 0.078 0.000 1.723 514 T CA -0.391 61.817 62.100 0.179 0.000 1.110 514 T CB 0.971 70.059 68.868 0.368 0.000 1.515 514 T HN 0.715 nan 8.240 nan 0.000 0.484 515 E N 2.069 122.225 120.200 -0.073 0.000 2.481 515 E HA 0.098 4.448 4.350 0.000 0.000 0.198 515 E C -0.811 175.661 176.600 -0.213 0.000 1.027 515 E CA -0.339 55.957 56.400 -0.172 0.000 0.900 515 E CB 0.036 29.558 29.700 -0.296 0.000 0.993 515 E HN 0.676 nan 8.360 nan 0.000 0.482 516 Y N 1.699 122.041 120.300 0.070 0.000 2.477 516 Y HA 0.392 4.942 4.550 0.000 0.000 0.349 516 Y C -0.076 175.895 175.900 0.118 0.000 0.977 516 Y CA -0.383 57.760 58.100 0.072 0.000 1.214 516 Y CB 0.595 39.080 38.460 0.041 0.000 1.124 516 Y HN -0.029 nan 8.280 nan 0.000 0.521 517 L N 2.519 123.883 121.223 0.235 0.000 2.408 517 L HA 0.664 5.004 4.340 0.000 0.000 0.268 517 L C 0.745 177.751 176.870 0.227 0.000 0.986 517 L CA -0.922 54.078 54.840 0.266 0.000 0.820 517 L CB 2.168 44.422 42.059 0.324 0.000 1.303 517 L HN 0.719 nan 8.230 nan 0.000 0.411 518 G N 0.134 109.072 108.800 0.229 0.000 2.546 518 G HA2 0.124 4.084 3.960 0.000 0.000 0.239 518 G HA3 0.124 4.084 3.960 0.000 0.000 0.239 518 G C -0.031 175.020 174.900 0.251 0.000 1.476 518 G CA -0.080 45.132 45.100 0.187 0.000 1.064 518 G HN 0.671 nan 8.290 nan 0.000 0.561 519 D N -0.219 120.304 120.400 0.205 0.000 2.398 519 D HA 0.447 5.087 4.640 0.000 0.000 0.210 519 D C 0.829 177.318 176.300 0.315 0.000 1.094 519 D CA 0.392 54.506 54.000 0.190 0.000 0.839 519 D CB 1.020 41.859 40.800 0.066 0.000 0.963 519 D HN 0.449 nan 8.370 nan 0.000 0.506 520 A N 0.190 123.210 122.820 0.333 0.000 2.524 520 A HA 0.792 5.112 4.320 0.000 0.000 0.286 520 A C -1.774 175.772 177.584 -0.063 0.000 1.203 520 A CA -0.620 51.578 52.037 0.268 0.000 0.736 520 A CB 1.661 20.741 19.000 0.135 0.000 1.322 520 A HN 0.065 nan 8.150 nan 0.000 0.424 521 L N 0.467 121.499 121.223 -0.319 0.000 2.516 521 L HA 0.454 4.794 4.340 0.000 0.000 0.267 521 L C -0.756 175.866 176.870 -0.413 0.000 0.957 521 L CA -0.358 54.131 54.840 -0.586 0.000 0.860 521 L CB 1.861 43.182 42.059 -1.231 0.000 1.265 521 L HN 0.740 nan 8.230 nan 0.000 0.403 522 N N 4.722 123.261 118.700 -0.270 0.000 2.394 522 N HA -0.056 4.684 4.740 0.000 0.000 0.288 522 N C 0.702 176.037 175.510 -0.292 0.000 1.272 522 N CA 0.028 52.928 53.050 -0.250 0.000 1.004 522 N CB 0.273 38.640 38.487 -0.201 0.000 1.393 522 N HN 0.699 nan 8.380 nan 0.000 0.488 523 W N 2.709 123.729 121.300 -0.466 0.000 2.848 523 W HA 0.215 4.875 4.660 0.000 0.000 0.241 523 W C 0.712 177.189 176.519 -0.069 0.000 1.289 523 W CA 0.110 57.216 57.345 -0.399 0.000 1.396 523 W CB -1.006 28.001 29.460 -0.754 0.000 1.138 523 W HN 0.423 nan 8.180 nan 0.000 0.677 524 G N 1.299 109.721 108.800 -0.630 0.000 2.426 524 G HA2 0.010 3.970 3.960 0.000 0.000 0.214 524 G HA3 0.010 3.970 3.960 0.000 0.000 0.214 524 G C 0.870 175.610 174.900 -0.268 0.000 1.156 524 G CA 0.721 45.488 45.100 -0.556 0.000 0.802 524 G HN 0.267 nan 8.290 nan 0.000 0.534 525 K N 2.074 122.351 120.400 -0.206 0.000 2.297 525 K HA 0.502 4.822 4.320 0.000 0.000 0.286 525 K C -1.893 174.636 176.600 -0.120 0.000 1.053 525 K CA -1.742 54.462 56.287 -0.139 0.000 0.940 525 K CB 0.035 32.464 32.500 -0.118 0.000 1.019 525 K HN 0.165 nan 8.250 nan 0.000 0.475 526 P HA 0.050 nan 4.420 nan 0.000 0.271 526 P C -1.160 176.111 177.300 -0.048 0.000 1.601 526 P CA 0.138 63.143 63.100 -0.157 0.000 0.856 526 P CB -0.796 30.865 31.700 -0.064 0.000 1.820 527 F N 1.730 121.512 119.950 -0.279 0.000 2.716 527 F HA 0.344 4.871 4.527 0.000 0.000 0.354 527 F C -1.297 174.619 175.800 0.193 0.000 1.168 527 F CA -1.356 56.484 58.000 -0.266 0.000 1.045 527 F CB 1.050 39.848 39.000 -0.336 0.000 1.311 527 F HN -0.190 nan 8.300 nan 0.000 0.477 528 Y N 6.180 126.621 120.300 0.235 0.000 2.960 528 Y HA 0.401 4.951 4.550 0.000 0.000 0.343 528 Y C -2.446 173.421 175.900 -0.056 0.000 1.106 528 Y CA -3.586 54.581 58.100 0.113 0.000 1.221 528 Y CB -0.066 38.537 38.460 0.238 0.000 1.232 528 Y HN 0.353 nan 8.280 nan 0.000 0.577 529 P HA 0.040 nan 4.420 nan 0.000 0.271 529 P C 1.085 178.438 177.300 0.088 0.000 1.233 529 P CA 0.191 63.189 63.100 -0.169 0.000 0.764 529 P CB 1.029 32.614 31.700 -0.191 0.000 0.825 530 E N 3.264 123.515 120.200 0.085 0.000 2.086 530 E HA -0.303 4.047 4.350 0.000 0.000 0.205 530 E C 1.344 178.026 176.600 0.137 0.000 1.027 530 E CA 2.581 59.048 56.400 0.112 0.000 0.830 530 E CB -0.432 29.331 29.700 0.106 0.000 0.751 530 E HN 0.538 nan 8.360 nan 0.000 0.456 531 T N -1.781 112.852 114.554 0.130 0.000 2.946 531 T HA -0.194 4.156 4.350 0.000 0.000 0.271 531 T C 1.577 176.368 174.700 0.151 0.000 1.104 531 T CA 1.118 63.292 62.100 0.124 0.000 1.114 531 T CB -0.475 68.451 68.868 0.098 0.000 0.867 531 T HN 0.303 nan 8.240 nan 0.000 0.513 532 F N 1.264 121.259 119.950 0.075 0.000 2.367 532 F HA 0.185 4.712 4.527 0.000 0.000 0.298 532 F C 2.603 178.446 175.800 0.070 0.000 1.094 532 F CA 0.707 58.765 58.000 0.097 0.000 1.409 532 F CB -0.224 38.872 39.000 0.161 0.000 1.064 532 F HN 0.162 nan 8.300 nan 0.000 0.528 533 Q N -0.191 119.698 119.800 0.149 0.000 2.020 533 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 533 Q C 1.965 177.956 176.000 -0.015 0.000 0.982 533 Q CA 2.461 58.284 55.803 0.034 0.000 0.838 533 Q CB -0.392 28.401 28.738 0.091 0.000 0.899 533 Q HN 0.329 nan 8.270 nan 0.000 0.423 534 T N 1.258 115.827 114.554 0.026 0.000 2.653 534 T HA -0.227 4.123 4.350 0.000 0.000 0.268 534 T C 1.682 176.266 174.700 -0.193 0.000 1.035 534 T CA 1.801 63.883 62.100 -0.030 0.000 1.154 534 T CB -0.230 68.665 68.868 0.044 0.000 0.862 534 T HN 0.292 nan 8.240 nan 0.000 0.441 535 K N 0.018 120.293 120.400 -0.207 0.000 2.211 535 K HA -0.078 4.242 4.320 0.000 0.000 0.203 535 K C 2.291 178.699 176.600 -0.320 0.000 1.050 535 K CA 1.174 57.309 56.287 -0.253 0.000 0.945 535 K CB -0.072 32.260 32.500 -0.280 0.000 0.732 535 K HN 0.283 nan 8.250 nan 0.000 0.451 536 T N -0.085 114.230 114.554 -0.398 0.000 2.809 536 T HA -0.050 4.300 4.350 0.000 0.000 0.260 536 T C 1.512 176.069 174.700 -0.238 0.000 1.039 536 T CA 0.775 62.659 62.100 -0.360 0.000 1.141 536 T CB -0.179 68.426 68.868 -0.438 0.000 0.869 536 T HN 0.296 nan 8.240 nan 0.000 0.437 537 H N 1.219 120.216 119.070 -0.123 0.000 2.395 537 H HA 0.077 4.633 4.556 0.000 0.000 0.299 537 H C 2.334 177.416 175.328 -0.410 0.000 1.070 537 H CA 1.100 57.106 56.048 -0.069 0.000 1.356 537 H CB -0.105 29.609 29.762 -0.080 0.000 1.401 537 H HN 0.490 nan 8.280 nan 0.000 0.524 538 E N 0.103 119.824 120.200 -0.798 0.000 2.049 538 E HA -0.235 4.115 4.350 0.000 0.000 0.198 538 E C 2.038 178.399 176.600 -0.399 0.000 1.007 538 E CA 1.491 57.144 56.400 -1.245 0.000 0.809 538 E CB -0.199 28.899 29.700 -1.003 0.000 0.749 538 E HN 0.400 nan 8.360 nan 0.000 0.450 539 Y N 1.190 121.247 120.300 -0.405 0.000 2.184 539 Y HA -0.180 4.371 4.550 0.000 0.000 0.290 539 Y C 2.287 178.043 175.900 -0.239 0.000 1.129 539 Y CA 1.585 59.369 58.100 -0.528 0.000 1.144 539 Y CB 0.112 38.255 38.460 -0.528 0.000 0.995 539 Y HN 0.001 nan 8.280 nan 0.000 0.513 540 Q N -0.550 119.285 119.800 0.058 0.000 2.079 540 Q HA -0.264 4.076 4.340 0.000 0.000 0.200 540 Q C 2.191 178.254 176.000 0.105 0.000 0.974 540 Q CA 1.581 57.444 55.803 0.100 0.000 0.840 540 Q CB -0.759 28.109 28.738 0.218 0.000 0.898 540 Q HN 0.746 nan 8.270 nan 0.000 0.430 541 W N 1.564 122.978 121.300 0.190 0.000 2.325 541 W HA -0.269 4.391 4.660 0.000 0.000 0.299 541 W C 2.158 178.732 176.519 0.091 0.000 1.215 541 W CA 1.886 59.383 57.345 0.252 0.000 1.244 541 W CB -0.114 29.556 29.460 0.349 0.000 1.140 541 W HN 0.243 nan 8.180 nan 0.000 0.523 542 S N 0.363 115.963 115.700 -0.167 0.000 2.387 542 S HA -0.190 4.281 4.470 0.000 0.000 0.226 542 S C 1.749 176.124 174.600 -0.375 0.000 1.026 542 S CA 1.265 59.283 58.200 -0.304 0.000 0.972 542 S CB -0.831 62.256 63.200 -0.187 0.000 0.814 542 S HN 0.146 nan 8.310 nan 0.000 0.477 543 I N 2.262 122.593 120.570 -0.398 0.000 2.142 543 I HA -0.089 4.081 4.170 0.000 0.000 0.240 543 I C 2.532 178.537 176.117 -0.186 0.000 1.078 543 I CA 1.029 62.171 61.300 -0.264 0.000 1.343 543 I CB -1.395 36.427 38.000 -0.297 0.000 1.046 543 I HN 0.316 nan 8.210 nan 0.000 0.405 544 I N 1.134 121.520 120.570 -0.307 0.000 2.113 544 I HA -0.393 3.777 4.170 0.000 0.000 0.242 544 I C 2.639 178.511 176.117 -0.409 0.000 1.064 544 I CA 2.000 63.108 61.300 -0.320 0.000 1.320 544 I CB -0.527 37.258 38.000 -0.359 0.000 1.028 544 I HN 0.242 nan 8.210 nan 0.000 0.406 545 K N 0.677 120.603 120.400 -0.790 0.000 2.218 545 K HA -0.234 4.086 4.320 0.000 0.000 0.205 545 K C 0.857 177.293 176.600 -0.274 0.000 1.046 545 K CA 2.048 57.956 56.287 -0.631 0.000 0.933 545 K CB -0.051 31.997 32.500 -0.754 0.000 0.728 545 K HN 0.241 nan 8.250 nan 0.000 0.454 546 D N -0.465 119.828 120.400 -0.177 0.000 2.388 546 D HA 0.088 4.728 4.640 0.000 0.000 0.221 546 D C -0.771 175.355 176.300 -0.289 0.000 1.133 546 D CA 0.206 54.102 54.000 -0.173 0.000 0.831 546 D CB 0.418 41.119 40.800 -0.165 0.000 0.962 546 D HN 0.277 nan 8.370 nan 0.000 0.502 547 H N -1.269 117.721 119.070 -0.133 0.000 2.488 547 H HA 0.228 4.784 4.556 0.000 0.000 0.237 547 H C -1.853 173.457 175.328 -0.030 0.000 1.395 547 H CA -1.320 54.684 56.048 -0.073 0.000 1.491 547 H CB 1.382 31.101 29.762 -0.073 0.000 1.567 547 H HN -0.111 nan 8.280 nan 0.000 0.508 548 P HA -0.224 nan 4.420 nan 0.000 0.221 548 P C 1.385 178.724 177.300 0.066 0.000 1.145 548 P CA 0.890 64.001 63.100 0.018 0.000 0.795 548 P CB 0.093 31.792 31.700 -0.001 0.000 0.775 549 Y N 0.553 120.846 120.300 -0.012 0.000 2.298 549 Y HA -0.132 4.419 4.550 0.000 0.000 0.287 549 Y C 0.845 176.742 175.900 -0.005 0.000 1.164 549 Y CA 0.876 58.969 58.100 -0.010 0.000 1.229 549 Y CB -0.686 37.759 38.460 -0.025 0.000 0.977 549 Y HN -0.148 nan 8.280 nan 0.000 0.538 550 I N 1.713 122.300 120.570 0.028 0.000 2.406 550 I HA -0.054 4.117 4.170 0.000 0.000 0.293 550 I C 0.805 176.888 176.117 -0.056 0.000 1.101 550 I CA 0.181 61.457 61.300 -0.040 0.000 1.334 550 I CB 0.565 38.580 38.000 0.026 0.000 1.421 550 I HN 0.226 nan 8.210 nan 0.000 0.513 551 I N 5.651 126.171 120.570 -0.083 0.000 2.716 551 I HA 0.043 4.213 4.170 0.000 0.000 0.259 551 I C 0.992 177.074 176.117 -0.059 0.000 1.172 551 I CA 0.632 61.900 61.300 -0.053 0.000 1.478 551 I CB 0.146 38.124 38.000 -0.036 0.000 1.104 551 I HN 0.673 nan 8.210 nan 0.000 0.439 552 A N -0.233 122.560 122.820 -0.045 0.000 2.555 552 A HA 0.650 4.970 4.320 0.000 0.000 0.297 552 A C -0.613 176.912 177.584 -0.098 0.000 1.060 552 A CA -0.441 51.511 52.037 -0.141 0.000 0.710 552 A CB 1.099 20.035 19.000 -0.107 0.000 1.282 552 A HN 0.043 nan 8.150 nan 0.000 0.399 553 S N 0.631 116.207 115.700 -0.207 0.000 2.542 553 S HA 0.849 5.319 4.470 0.000 0.000 0.293 553 S C -1.411 173.055 174.600 -0.223 0.000 1.089 553 S CA -0.513 57.675 58.200 -0.020 0.000 0.961 553 S CB 1.171 64.470 63.200 0.165 0.000 1.062 553 S HN 0.705 nan 8.310 nan 0.000 0.483 554 Y N 2.380 122.825 120.300 0.242 0.000 2.349 554 Y HA 0.411 4.962 4.550 0.000 0.000 0.324 554 Y C -0.104 175.899 175.900 0.172 0.000 1.005 554 Y CA -1.189 56.979 58.100 0.112 0.000 1.240 554 Y CB 1.270 39.676 38.460 -0.091 0.000 1.117 554 Y HN 0.860 nan 8.280 nan 0.000 0.463 555 L N 1.079 122.370 121.223 0.114 0.000 2.461 555 L HA 0.302 4.642 4.340 0.000 0.000 0.272 555 L C -0.542 176.266 176.870 -0.103 0.000 1.197 555 L CA -0.602 54.026 54.840 -0.353 0.000 0.836 555 L CB 0.778 42.430 42.059 -0.679 0.000 1.105 555 L HN 0.712 nan 8.230 nan 0.000 0.477 556 W N 4.982 126.110 121.300 -0.287 0.000 2.361 556 W HA 0.510 5.170 4.660 0.000 0.000 0.314 556 W C -1.116 175.353 176.519 -0.083 0.000 1.041 556 W CA -0.603 56.676 57.345 -0.111 0.000 1.241 556 W CB 1.705 31.182 29.460 0.028 0.000 1.279 556 W HN 0.918 nan 8.180 nan 0.000 0.436 557 N N 3.673 122.218 118.700 -0.259 0.000 2.525 557 N HA 0.230 4.970 4.740 0.000 0.000 0.270 557 N C 0.725 176.009 175.510 -0.378 0.000 1.321 557 N CA -0.563 52.163 53.050 -0.540 0.000 0.797 557 N CB 1.805 39.772 38.487 -0.867 0.000 1.529 557 N HN 0.324 nan 8.380 nan 0.000 0.491 558 M N 0.801 120.159 119.600 -0.403 0.000 2.175 558 M HA 0.262 4.742 4.480 0.000 0.000 0.264 558 M C -1.055 174.762 176.300 -0.805 0.000 1.063 558 M CA 1.817 56.767 55.300 -0.583 0.000 1.119 558 M CB 0.005 32.254 32.600 -0.584 0.000 1.377 558 M HN 0.473 nan 8.290 nan 0.000 0.415 559 F N -0.872 119.041 119.950 -0.062 0.000 2.620 559 F HA 0.398 4.925 4.527 0.000 0.000 0.320 559 F C -0.111 175.739 175.800 0.083 0.000 1.069 559 F CA -1.760 56.252 58.000 0.021 0.000 0.953 559 F CB 0.572 39.605 39.000 0.055 0.000 1.322 559 F HN -0.266 nan 8.300 nan 0.000 0.479 560 D N 1.427 121.988 120.400 0.267 0.000 2.341 560 D HA 0.349 4.989 4.640 0.000 0.000 0.245 560 D C -0.559 175.700 176.300 -0.067 0.000 1.106 560 D CA 0.373 54.396 54.000 0.038 0.000 0.905 560 D CB 0.931 41.704 40.800 -0.046 0.000 1.202 560 D HN 0.385 nan 8.370 nan 0.000 0.426 561 F N -1.216 118.396 119.950 -0.563 0.000 2.675 561 F HA 0.752 5.279 4.527 0.000 0.000 0.324 561 F C -0.617 174.654 175.800 -0.881 0.000 1.106 561 F CA -1.620 55.854 58.000 -0.876 0.000 0.970 561 F CB 0.711 39.552 39.000 -0.265 0.000 1.385 561 F HN 0.265 nan 8.300 nan 0.000 0.489 562 A N 0.622 123.235 122.820 -0.344 0.000 2.354 562 A HA 0.670 4.990 4.320 0.000 0.000 0.269 562 A C -0.892 176.689 177.584 -0.005 0.000 1.109 562 A CA -0.535 51.431 52.037 -0.117 0.000 0.800 562 A CB 0.669 19.819 19.000 0.250 0.000 1.045 562 A HN 0.920 nan 8.150 nan 0.000 0.489 563 V N 4.201 124.094 119.914 -0.035 0.000 2.538 563 V HA 0.221 4.341 4.120 0.000 0.000 0.265 563 V C -2.190 173.916 176.094 0.020 0.000 0.977 563 V CA -0.636 61.699 62.300 0.059 0.000 0.852 563 V CB 1.413 33.318 31.823 0.137 0.000 1.058 563 V HN 0.785 nan 8.190 nan 0.000 0.462 564 P HA -0.029 nan 4.420 nan 0.000 0.223 564 P C 1.528 178.792 177.300 -0.059 0.000 1.151 564 P CA 0.569 63.588 63.100 -0.135 0.000 0.787 564 P CB 0.275 31.628 31.700 -0.579 0.000 0.788 565 M N -2.279 117.173 119.600 -0.246 0.000 2.619 565 M HA 0.102 4.582 4.480 0.000 0.000 0.251 565 M C -0.478 175.135 176.300 -1.144 0.000 1.106 565 M CA 0.885 55.744 55.300 -0.736 0.000 1.086 565 M CB -0.335 31.677 32.600 -0.980 0.000 1.465 565 M HN -0.159 nan 8.290 nan 0.000 0.506 566 W N -2.800 118.572 121.300 0.120 0.000 3.137 566 W HA 0.470 5.130 4.660 0.000 0.000 0.324 566 W C -0.757 175.827 176.519 0.108 0.000 1.253 566 W CA -1.103 56.310 57.345 0.114 0.000 1.183 566 W CB 0.790 30.328 29.460 0.129 0.000 1.424 566 W HN -0.297 nan 8.180 nan 0.000 0.566 567 T N 1.854 116.646 114.554 0.397 0.000 2.841 567 T HA 0.793 5.143 4.350 0.000 0.000 0.285 567 T C -0.798 174.039 174.700 0.227 0.000 0.991 567 T CA -0.435 61.818 62.100 0.255 0.000 0.966 567 T CB 0.660 69.635 68.868 0.178 0.000 0.962 567 T HN 0.543 nan 8.240 nan 0.000 0.438 568 R N 2.043 122.665 120.500 0.204 0.000 2.739 568 R HA 0.599 4.939 4.340 0.000 0.000 0.271 568 R C 0.647 176.987 176.300 0.067 0.000 1.010 568 R CA -0.398 55.810 56.100 0.180 0.000 0.897 568 R CB 1.498 32.014 30.300 0.360 0.000 1.236 568 R HN 0.909 nan 8.270 nan 0.000 0.466 569 G N 0.242 108.872 108.800 -0.282 0.000 2.283 569 G HA2 -0.209 3.751 3.960 0.000 0.000 0.280 569 G HA3 -0.209 3.751 3.960 0.000 0.000 0.280 569 G C 0.856 175.668 174.900 -0.147 0.000 1.029 569 G CA 1.052 45.743 45.100 -0.681 0.000 0.840 569 G HN 1.339 nan 8.290 nan 0.000 0.505 570 G N -2.955 105.822 108.800 -0.039 0.000 2.168 570 G HA2 0.057 4.017 3.960 0.000 0.000 0.263 570 G HA3 0.057 4.017 3.960 0.000 0.000 0.263 570 G C 0.876 175.795 174.900 0.032 0.000 0.977 570 G CA 1.501 46.622 45.100 0.035 0.000 0.659 570 G HN 2.342 nan 8.290 nan 0.000 0.533 571 V N 0.037 119.971 119.914 0.033 0.000 2.735 571 V HA 0.890 5.010 4.120 0.000 0.000 0.310 571 V C -2.474 173.674 176.094 0.090 0.000 1.061 571 V CA -1.987 60.343 62.300 0.050 0.000 0.913 571 V CB 2.618 34.453 31.823 0.018 0.000 1.005 571 V HN 0.063 nan 8.190 nan 0.000 0.428 572 P HA 0.484 nan 4.420 nan 0.000 0.281 572 P C 0.129 177.517 177.300 0.146 0.000 1.249 572 P CA 0.775 63.957 63.100 0.135 0.000 0.810 572 P CB 1.508 33.289 31.700 0.134 0.000 1.008 573 A N 0.242 123.150 122.820 0.147 0.000 2.826 573 A HA -0.239 4.082 4.320 0.000 0.000 0.274 573 A C 0.402 178.021 177.584 0.057 0.000 1.443 573 A CA 1.281 53.388 52.037 0.116 0.000 0.833 573 A CB -2.393 16.680 19.000 0.123 0.000 1.023 573 A HN 0.651 nan 8.150 nan 0.000 0.600 574 R N 0.610 121.133 120.500 0.038 0.000 2.480 574 R HA 0.494 4.835 4.340 0.000 0.000 0.306 574 R C -0.490 175.723 176.300 -0.144 0.000 0.958 574 R CA -0.438 55.603 56.100 -0.098 0.000 0.861 574 R CB 0.699 30.977 30.300 -0.035 0.000 1.171 574 R HN 0.400 nan 8.270 nan 0.000 0.445 575 N N 5.085 123.520 118.700 -0.441 0.000 2.408 575 N HA 0.123 4.863 4.740 0.000 0.000 0.257 575 N C -0.365 174.910 175.510 -0.392 0.000 1.064 575 N CA 0.058 52.817 53.050 -0.484 0.000 0.952 575 N CB 0.831 38.675 38.487 -1.072 0.000 1.093 575 N HN 0.700 nan 8.380 nan 0.000 0.490 576 M N 3.161 122.666 119.600 -0.158 0.000 2.655 576 M HA 0.157 4.637 4.480 0.000 0.000 0.311 576 M C 0.929 177.165 176.300 -0.107 0.000 1.229 576 M CA -0.138 55.106 55.300 -0.094 0.000 0.972 576 M CB 0.457 33.069 32.600 0.020 0.000 1.366 576 M HN 0.257 nan 8.290 nan 0.000 0.500 577 K N 0.648 120.974 120.400 -0.123 0.000 2.551 577 K HA 0.109 4.429 4.320 0.000 0.000 0.192 577 K C 0.911 177.469 176.600 -0.069 0.000 1.027 577 K CA -0.070 56.157 56.287 -0.101 0.000 1.059 577 K CB -0.195 32.319 32.500 0.024 0.000 0.831 577 K HN 0.402 nan 8.250 nan 0.000 0.508 578 G N 0.984 109.748 108.800 -0.061 0.000 2.559 578 G HA2 0.019 3.979 3.960 0.000 0.000 0.235 578 G HA3 0.019 3.979 3.960 0.000 0.000 0.235 578 G C 0.611 175.449 174.900 -0.103 0.000 1.266 578 G CA -0.483 44.575 45.100 -0.070 0.000 0.847 578 G HN 0.055 nan 8.290 nan 0.000 0.583 579 L N 0.816 121.926 121.223 -0.187 0.000 2.509 579 L HA 0.419 4.759 4.340 0.000 0.000 0.222 579 L C 0.919 177.736 176.870 -0.090 0.000 1.123 579 L CA 0.596 55.346 54.840 -0.149 0.000 0.856 579 L CB -0.523 41.391 42.059 -0.242 0.000 0.985 579 L HN 0.389 nan 8.230 nan 0.000 0.456 580 I N -1.828 118.665 120.570 -0.128 0.000 2.894 580 I HA 0.219 4.389 4.170 0.000 0.000 0.302 580 I C 0.155 176.312 176.117 0.066 0.000 1.188 580 I CA -0.736 60.535 61.300 -0.049 0.000 1.014 580 I CB 2.234 40.196 38.000 -0.064 0.000 1.242 580 I HN -0.101 nan 8.210 nan 0.000 0.430 581 T N 0.286 114.882 114.554 0.070 0.000 2.868 581 T HA 0.143 4.493 4.350 0.000 0.000 0.292 581 T C 0.907 175.701 174.700 0.156 0.000 1.028 581 T CA -0.199 61.950 62.100 0.082 0.000 1.059 581 T CB 0.729 69.608 68.868 0.018 0.000 0.991 581 T HN 0.426 nan 8.240 nan 0.000 0.531 582 F N 2.057 121.993 119.950 -0.023 0.000 2.202 582 F HA -0.065 4.463 4.527 0.000 0.000 0.301 582 F C 1.807 177.568 175.800 -0.066 0.000 1.082 582 F CA 1.651 59.657 58.000 0.011 0.000 1.313 582 F CB -0.810 38.248 39.000 0.096 0.000 1.024 582 F HN 0.794 nan 8.300 nan 0.000 0.495 583 D N -1.333 119.011 120.400 -0.094 0.000 2.349 583 D HA -0.069 4.571 4.640 0.000 0.000 0.224 583 D C 1.199 177.283 176.300 -0.361 0.000 1.029 583 D CA 0.283 54.175 54.000 -0.181 0.000 0.879 583 D CB -0.195 40.536 40.800 -0.116 0.000 0.906 583 D HN 0.115 nan 8.370 nan 0.000 0.528 584 R N -1.173 119.116 120.500 -0.351 0.000 3.922 584 R HA -0.195 4.145 4.340 0.000 0.000 0.447 584 R C 1.074 177.319 176.300 -0.090 0.000 1.035 584 R CA 1.523 57.415 56.100 -0.346 0.000 1.289 584 R CB -2.172 27.481 30.300 -1.078 0.000 1.906 584 R HN 0.364 nan 8.270 nan 0.000 0.540 585 K N -0.651 119.708 120.400 -0.068 0.000 2.228 585 K HA 0.099 4.419 4.320 0.000 0.000 0.202 585 K C 0.028 176.648 176.600 0.033 0.000 1.051 585 K CA 1.402 57.692 56.287 0.005 0.000 0.960 585 K CB 0.390 32.886 32.500 -0.006 0.000 0.743 585 K HN 0.127 nan 8.250 nan 0.000 0.458 586 T N 1.309 115.873 114.554 0.018 0.000 2.881 586 T HA 0.294 4.644 4.350 0.000 0.000 0.290 586 T C -1.008 173.687 174.700 -0.008 0.000 1.000 586 T CA -0.860 61.254 62.100 0.023 0.000 0.978 586 T CB 2.008 70.894 68.868 0.030 0.000 0.997 586 T HN -0.088 nan 8.240 nan 0.000 0.443 587 K N 2.736 123.119 120.400 -0.030 0.000 2.213 587 K HA 0.446 4.766 4.320 0.000 0.000 0.270 587 K C 0.001 176.665 176.600 0.106 0.000 1.002 587 K CA -0.840 55.376 56.287 -0.118 0.000 0.868 587 K CB 1.692 33.848 32.500 -0.573 0.000 1.093 587 K HN 0.399 nan 8.250 nan 0.000 0.454 588 K N 1.195 121.660 120.400 0.108 0.000 2.132 588 K HA 0.015 4.336 4.320 0.000 0.000 0.240 588 K C 0.422 177.206 176.600 0.307 0.000 1.036 588 K CA -0.552 55.846 56.287 0.186 0.000 0.888 588 K CB 0.395 32.967 32.500 0.119 0.000 1.071 588 K HN 0.422 nan 8.250 nan 0.000 0.502 589 D N 0.301 120.897 120.400 0.326 0.000 2.123 589 D HA -0.125 4.515 4.640 0.000 0.000 0.196 589 D C 1.547 178.077 176.300 0.384 0.000 0.992 589 D CA 1.533 55.798 54.000 0.443 0.000 0.833 589 D CB -0.139 40.902 40.800 0.401 0.000 0.954 589 D HN 0.395 nan 8.370 nan 0.000 0.455 590 S N -0.523 115.315 115.700 0.230 0.000 2.447 590 S HA -0.160 4.310 4.470 0.000 0.000 0.233 590 S C 1.748 176.360 174.600 0.021 0.000 1.006 590 S CA 0.231 58.500 58.200 0.115 0.000 0.957 590 S CB -0.462 62.772 63.200 0.056 0.000 0.773 590 S HN 0.370 nan 8.310 nan 0.000 0.507 591 Y N 1.889 122.120 120.300 -0.115 0.000 2.114 591 Y HA -0.223 4.328 4.550 0.000 0.000 0.282 591 Y C 1.563 177.175 175.900 -0.481 0.000 1.165 591 Y CA 1.483 59.377 58.100 -0.344 0.000 1.148 591 Y CB -0.494 37.690 38.460 -0.461 0.000 0.972 591 Y HN 0.232 nan 8.280 nan 0.000 0.504 592 F N -1.315 118.542 119.950 -0.155 0.000 2.615 592 F HA -0.101 4.426 4.527 0.000 0.000 0.297 592 F C 2.359 177.911 175.800 -0.413 0.000 1.124 592 F CA 0.759 58.561 58.000 -0.330 0.000 1.451 592 F CB -0.697 37.828 39.000 -0.792 0.000 1.103 592 F HN 0.326 nan 8.300 nan 0.000 0.569 593 W N 0.080 121.058 121.300 -0.536 0.000 2.378 593 W HA -0.275 4.385 4.660 0.000 0.000 0.313 593 W C 1.614 177.457 176.519 -1.126 0.000 1.197 593 W CA 1.684 58.347 57.345 -1.137 0.000 1.304 593 W CB -0.954 27.887 29.460 -1.031 0.000 1.148 593 W HN 0.074 nan 8.180 nan 0.000 0.494 594 Y N 1.363 120.991 120.300 -1.120 0.000 2.181 594 Y HA -0.224 4.326 4.550 0.000 0.000 0.288 594 Y C 2.780 177.820 175.900 -1.433 0.000 1.146 594 Y CA 2.609 59.671 58.100 -1.730 0.000 1.164 594 Y CB -0.961 36.431 38.460 -1.780 0.000 0.982 594 Y HN -0.034 nan 8.280 nan 0.000 0.515 595 K N 0.198 120.063 120.400 -0.891 0.000 2.097 595 K HA -0.134 4.186 4.320 0.000 0.000 0.205 595 K C 2.270 178.578 176.600 -0.486 0.000 1.050 595 K CA 1.015 56.923 56.287 -0.631 0.000 0.938 595 K CB -0.268 31.866 32.500 -0.611 0.000 0.718 595 K HN 0.224 nan 8.250 nan 0.000 0.442 596 A N 1.769 124.276 122.820 -0.523 0.000 1.908 596 A HA -0.186 4.134 4.320 0.000 0.000 0.218 596 A C 1.772 179.042 177.584 -0.523 0.000 1.181 596 A CA 1.798 53.580 52.037 -0.424 0.000 0.627 596 A CB -0.549 18.212 19.000 -0.399 0.000 0.818 596 A HN 0.436 nan 8.150 nan 0.000 0.445 597 N N -2.266 115.915 118.700 -0.865 0.000 2.446 597 N HA -0.065 4.676 4.740 0.000 0.000 0.179 597 N C 0.989 176.257 175.510 -0.404 0.000 1.054 597 N CA 0.834 53.432 53.050 -0.753 0.000 0.905 597 N CB 0.017 37.750 38.487 -1.257 0.000 0.973 597 N HN 0.708 nan 8.380 nan 0.000 0.448 598 W N 0.530 121.428 121.300 -0.670 0.000 3.063 598 W HA 0.324 4.984 4.660 0.000 0.000 0.246 598 W C 1.192 177.553 176.519 -0.263 0.000 1.145 598 W CA -0.493 56.463 57.345 -0.649 0.000 1.510 598 W CB -0.797 28.188 29.460 -0.792 0.000 0.904 598 W HN -0.282 nan 8.180 nan 0.000 0.679 599 S N 1.001 116.677 115.700 -0.039 0.000 2.632 599 S HA 0.138 4.609 4.470 0.000 0.000 0.271 599 S C 1.045 175.619 174.600 -0.043 0.000 1.260 599 S CA -0.135 58.040 58.200 -0.042 0.000 1.010 599 S CB 1.322 64.466 63.200 -0.094 0.000 0.965 599 S HN 0.152 nan 8.310 nan 0.000 0.534 600 E N 0.935 121.116 120.200 -0.031 0.000 2.385 600 E HA 0.071 4.421 4.350 0.000 0.000 0.194 600 E C -0.126 176.453 176.600 -0.034 0.000 1.013 600 E CA 0.086 56.469 56.400 -0.028 0.000 0.866 600 E CB 0.098 29.785 29.700 -0.021 0.000 0.832 600 E HN 0.559 nan 8.360 nan 0.000 0.500 601 E N 2.321 122.497 120.200 -0.039 0.000 2.398 601 E HA 0.045 4.395 4.350 0.000 0.000 0.263 601 E C -2.363 174.193 176.600 -0.072 0.000 1.046 601 E CA -2.115 54.261 56.400 -0.041 0.000 0.908 601 E CB 0.454 30.137 29.700 -0.030 0.000 0.963 601 E HN -0.073 nan 8.360 nan 0.000 0.431 602 P HA 0.037 nan 4.420 nan 0.000 0.276 602 P C -0.913 176.264 177.300 -0.206 0.000 1.264 602 P CA -0.035 62.925 63.100 -0.233 0.000 0.769 602 P CB 0.554 31.967 31.700 -0.478 0.000 0.840 603 V N 5.693 125.541 119.914 -0.110 0.000 2.483 603 V HA 0.453 4.573 4.120 0.000 0.000 0.295 603 V C 0.201 176.325 176.094 0.050 0.000 1.035 603 V CA -0.653 61.657 62.300 0.017 0.000 0.896 603 V CB 1.698 33.563 31.823 0.070 0.000 0.986 603 V HN 0.424 nan 8.190 nan 0.000 0.447 604 L N 5.635 126.934 121.223 0.125 0.000 2.491 604 L HA 0.660 5.000 4.340 0.000 0.000 0.267 604 L C -1.756 175.249 176.870 0.226 0.000 0.971 604 L CA -0.161 54.775 54.840 0.160 0.000 0.857 604 L CB 1.447 43.569 42.059 0.105 0.000 1.226 604 L HN 0.643 nan 8.230 nan 0.000 0.408 605 Y N 4.450 124.802 120.300 0.087 0.000 2.441 605 Y HA 0.649 5.199 4.550 0.000 0.000 0.334 605 Y C -1.756 174.103 175.900 -0.068 0.000 1.061 605 Y CA -0.728 57.370 58.100 -0.003 0.000 1.032 605 Y CB 1.846 40.362 38.460 0.093 0.000 1.266 605 Y HN 0.602 nan 8.280 nan 0.000 0.441 606 L N 5.181 126.008 121.223 -0.660 0.000 2.289 606 L HA 0.479 4.819 4.340 0.000 0.000 0.285 606 L C 0.235 176.716 176.870 -0.649 0.000 1.049 606 L CA -0.344 54.188 54.840 -0.513 0.000 0.804 606 L CB 1.682 43.506 42.059 -0.391 0.000 1.195 606 L HN 0.683 nan 8.230 nan 0.000 0.428 607 T N 2.907 117.279 114.554 -0.305 0.000 2.913 607 T HA 0.127 4.478 4.350 0.000 0.000 0.297 607 T C 0.267 175.030 174.700 0.106 0.000 1.029 607 T CA -0.002 62.043 62.100 -0.091 0.000 1.104 607 T CB 0.781 69.612 68.868 -0.063 0.000 0.964 607 T HN 0.704 nan 8.240 nan 0.000 0.532 608 Q N -0.311 119.585 119.800 0.161 0.000 2.466 608 Q HA -0.224 4.117 4.340 0.000 0.000 0.248 608 Q C 1.620 177.822 176.000 0.338 0.000 0.791 608 Q CA 0.774 56.713 55.803 0.226 0.000 1.225 608 Q CB -1.043 27.827 28.738 0.220 0.000 1.418 608 Q HN 0.853 nan 8.270 nan 0.000 0.662 609 R N 1.047 121.676 120.500 0.215 0.000 2.154 609 R HA -0.169 4.172 4.340 0.000 0.000 0.248 609 R C 1.491 177.914 176.300 0.205 0.000 1.155 609 R CA 2.018 58.236 56.100 0.197 0.000 0.979 609 R CB -0.173 30.143 30.300 0.025 0.000 0.869 609 R HN 0.317 nan 8.270 nan 0.000 0.452 610 R N 0.211 120.806 120.500 0.159 0.000 2.297 610 R HA 0.045 4.385 4.340 0.000 0.000 0.197 610 R C 0.405 176.756 176.300 0.086 0.000 0.943 610 R CA 0.432 56.603 56.100 0.119 0.000 1.038 610 R CB -0.014 30.352 30.300 0.109 0.000 0.957 610 R HN 0.171 nan 8.270 nan 0.000 0.484 611 N N 0.536 119.268 118.700 0.053 0.000 3.331 611 N HA 0.090 4.831 4.740 0.000 0.000 0.303 611 N C 0.026 175.441 175.510 -0.158 0.000 1.326 611 N CA -0.166 52.845 53.050 -0.065 0.000 1.207 611 N CB 0.779 39.173 38.487 -0.156 0.000 1.477 611 N HN 0.105 nan 8.380 nan 0.000 0.541 612 A N 0.314 123.133 122.820 -0.001 0.000 2.251 612 A HA 0.109 4.430 4.320 0.000 0.000 0.209 612 A C 0.328 177.938 177.584 0.043 0.000 1.187 612 A CA 0.069 52.160 52.037 0.090 0.000 0.823 612 A CB 0.053 19.143 19.000 0.151 0.000 0.846 612 A HN 0.448 nan 8.150 nan 0.000 0.486 613 D N 0.757 121.139 120.400 -0.031 0.000 2.456 613 D HA 0.249 4.890 4.640 0.000 0.000 0.287 613 D C -0.119 176.117 176.300 -0.107 0.000 1.186 613 D CA -0.490 53.490 54.000 -0.034 0.000 0.916 613 D CB 0.324 41.115 40.800 -0.016 0.000 1.029 613 D HN 0.029 nan 8.370 nan 0.000 0.498 614 R N 1.485 121.907 120.500 -0.131 0.000 2.678 614 R HA 0.013 4.353 4.340 0.000 0.000 0.264 614 R C 0.754 176.916 176.300 -0.230 0.000 0.995 614 R CA 0.503 56.485 56.100 -0.197 0.000 1.098 614 R CB 0.106 30.365 30.300 -0.069 0.000 0.949 614 R HN 0.542 nan 8.270 nan 0.000 0.422 615 E N 0.859 120.945 120.200 -0.189 0.000 2.389 615 E HA 0.082 4.432 4.350 0.000 0.000 0.199 615 E C -0.204 176.339 176.600 -0.095 0.000 0.978 615 E CA 0.468 56.796 56.400 -0.120 0.000 0.912 615 E CB 0.499 30.226 29.700 0.045 0.000 0.907 615 E HN 0.406 nan 8.360 nan 0.000 0.494 616 K N 0.010 120.369 120.400 -0.068 0.000 2.395 616 K HA 0.426 4.746 4.320 0.000 0.000 0.245 616 K C 0.348 177.153 176.600 0.342 0.000 1.017 616 K CA -0.747 55.593 56.287 0.088 0.000 0.852 616 K CB 2.024 34.516 32.500 -0.014 0.000 1.311 616 K HN -0.211 nan 8.250 nan 0.000 0.452 617 R N -0.033 120.693 120.500 0.377 0.000 2.087 617 R HA 0.044 4.384 4.340 0.000 0.000 0.216 617 R C 0.476 176.837 176.300 0.102 0.000 1.114 617 R CA 1.298 57.551 56.100 0.254 0.000 1.002 617 R CB 0.164 30.528 30.300 0.108 0.000 0.903 617 R HN 0.498 nan 8.270 nan 0.000 0.445 618 T N 0.918 115.525 114.554 0.088 0.000 3.145 618 T HA 0.300 4.651 4.350 0.000 0.000 0.348 618 T C -0.675 174.059 174.700 0.057 0.000 1.299 618 T CA -0.195 61.940 62.100 0.059 0.000 1.037 618 T CB 0.140 69.036 68.868 0.045 0.000 1.122 618 T HN 0.187 nan 8.240 nan 0.000 0.600 619 T N 2.643 117.245 114.554 0.079 0.000 2.884 619 T HA 0.782 5.132 4.350 0.000 0.000 0.277 619 T C -0.303 174.458 174.700 0.101 0.000 0.976 619 T CA -0.531 61.609 62.100 0.067 0.000 0.956 619 T CB 0.943 69.867 68.868 0.094 0.000 1.113 619 T HN 0.648 nan 8.240 nan 0.000 0.554 620 A N 1.160 124.040 122.820 0.100 0.000 2.317 620 A HA 0.706 5.027 4.320 0.000 0.000 0.327 620 A C -0.867 176.871 177.584 0.257 0.000 1.178 620 A CA -0.494 51.628 52.037 0.142 0.000 0.817 620 A CB 0.959 20.011 19.000 0.087 0.000 1.189 620 A HN 0.599 nan 8.150 nan 0.000 0.489 621 V N 2.315 122.403 119.914 0.289 0.000 2.417 621 V HA 0.531 4.651 4.120 0.000 0.000 0.291 621 V C 0.058 176.308 176.094 0.261 0.000 1.024 621 V CA -0.113 62.388 62.300 0.334 0.000 0.861 621 V CB 1.886 33.866 31.823 0.262 0.000 0.985 621 V HN 0.993 nan 8.190 nan 0.000 0.436 622 T N 4.564 119.228 114.554 0.184 0.000 2.823 622 T HA 0.627 4.977 4.350 0.000 0.000 0.279 622 T C -0.923 173.783 174.700 0.010 0.000 0.998 622 T CA -0.352 61.803 62.100 0.092 0.000 0.994 622 T CB 1.749 70.671 68.868 0.090 0.000 0.960 622 T HN 0.488 nan 8.240 nan 0.000 0.448 623 V N 4.428 124.376 119.914 0.056 0.000 2.686 623 V HA 0.551 4.671 4.120 0.000 0.000 0.306 623 V C -1.790 174.459 176.094 0.258 0.000 1.065 623 V CA -0.874 61.456 62.300 0.050 0.000 0.894 623 V CB 1.393 33.281 31.823 0.109 0.000 1.004 623 V HN 0.938 nan 8.190 nan 0.000 0.424 624 Y N 4.832 125.340 120.300 0.345 0.000 2.327 624 Y HA 0.658 5.208 4.550 0.000 0.000 0.336 624 Y C 0.631 176.699 175.900 0.281 0.000 1.035 624 Y CA -0.196 58.113 58.100 0.349 0.000 1.165 624 Y CB 1.877 40.543 38.460 0.343 0.000 1.181 624 Y HN 0.696 nan 8.280 nan 0.000 0.494 625 S N 2.402 118.380 115.700 0.465 0.000 2.572 625 S HA 0.224 4.694 4.470 0.000 0.000 0.274 625 S C -0.609 174.131 174.600 0.234 0.000 1.150 625 S CA -0.991 57.385 58.200 0.293 0.000 0.944 625 S CB 0.679 64.007 63.200 0.214 0.000 1.071 625 S HN 0.774 nan 8.310 nan 0.000 0.479 626 N N 3.813 122.570 118.700 0.096 0.000 2.238 626 N HA 0.184 4.924 4.740 0.000 0.000 0.222 626 N C 0.574 176.103 175.510 0.032 0.000 1.133 626 N CA -0.157 52.916 53.050 0.038 0.000 0.854 626 N CB -0.299 38.164 38.487 -0.040 0.000 1.041 626 N HN 0.814 nan 8.380 nan 0.000 0.510 627 I N -4.753 115.847 120.570 0.050 0.000 3.426 627 I HA 0.688 4.858 4.170 0.000 0.000 0.329 627 I C 0.148 176.304 176.117 0.065 0.000 1.553 627 I CA -0.603 60.721 61.300 0.041 0.000 1.019 627 I CB 0.524 38.525 38.000 0.002 0.000 1.376 627 I HN 0.069 nan 8.210 nan 0.000 0.525 628 G N 0.921 109.770 108.800 0.082 0.000 2.497 628 G HA2 -0.105 3.855 3.960 0.000 0.000 0.686 628 G HA3 -0.105 3.855 3.960 0.000 0.000 0.686 628 G C -0.470 174.383 174.900 -0.079 0.000 1.288 628 G CA -0.648 44.481 45.100 0.048 0.000 0.899 628 G HN 0.174 nan 8.290 nan 0.000 0.608 629 T N 3.803 118.264 114.554 -0.156 0.000 2.792 629 T HA 0.430 4.780 4.350 0.000 0.000 0.286 629 T C -1.487 173.008 174.700 -0.342 0.000 0.970 629 T CA 0.506 62.334 62.100 -0.453 0.000 1.187 629 T CB 0.833 69.566 68.868 -0.226 0.000 0.915 629 T HN 0.600 nan 8.240 nan 0.000 0.529 630 P HA 0.384 nan 4.420 nan 0.000 0.278 630 P C -0.814 176.438 177.300 -0.080 0.000 1.258 630 P CA -0.861 62.132 63.100 -0.180 0.000 0.811 630 P CB 1.101 32.716 31.700 -0.143 0.000 1.063 631 K N 0.413 120.801 120.400 -0.020 0.000 2.292 631 K HA 0.532 4.853 4.320 0.000 0.000 0.257 631 K C -0.873 175.643 176.600 -0.140 0.000 0.940 631 K CA -0.953 55.285 56.287 -0.082 0.000 0.811 631 K CB 1.935 34.387 32.500 -0.080 0.000 1.120 631 K HN 0.169 nan 8.250 nan 0.000 0.428 632 V N 2.641 122.363 119.914 -0.320 0.000 2.513 632 V HA 0.338 4.459 4.120 0.000 0.000 0.299 632 V C -1.084 174.643 176.094 -0.610 0.000 1.035 632 V CA -0.961 61.118 62.300 -0.369 0.000 0.889 632 V CB 0.735 32.326 31.823 -0.388 0.000 0.988 632 V HN 0.630 nan 8.190 nan 0.000 0.440 633 Y N 4.217 124.392 120.300 -0.209 0.000 2.712 633 Y HA 0.478 5.028 4.550 0.000 0.000 0.328 633 Y C -0.050 175.735 175.900 -0.192 0.000 0.995 633 Y CA -0.820 57.169 58.100 -0.184 0.000 1.283 633 Y CB 1.541 39.925 38.460 -0.128 0.000 1.092 633 Y HN 0.607 nan 8.280 nan 0.000 0.519 634 L N 4.745 125.887 121.223 -0.135 0.000 2.530 634 L HA 0.219 4.559 4.340 0.000 0.000 0.273 634 L C 0.219 177.049 176.870 -0.066 0.000 1.141 634 L CA 0.005 54.765 54.840 -0.133 0.000 0.905 634 L CB -0.512 41.451 42.059 -0.161 0.000 1.202 634 L HN 0.663 nan 8.230 nan 0.000 0.473 635 N N 4.777 123.441 118.700 -0.061 0.000 2.608 635 N HA -0.203 4.537 4.740 0.000 0.000 0.273 635 N C 1.121 176.617 175.510 -0.022 0.000 1.133 635 N CA 1.137 54.163 53.050 -0.040 0.000 0.726 635 N CB -0.859 37.606 38.487 -0.036 0.000 0.890 635 N HN 1.252 nan 8.380 nan 0.000 0.548 636 G N 0.258 109.047 108.800 -0.018 0.000 2.674 636 G HA2 -0.387 3.573 3.960 0.000 0.000 0.236 636 G HA3 -0.387 3.573 3.960 0.000 0.000 0.236 636 G C 0.080 175.006 174.900 0.043 0.000 1.178 636 G CA 1.060 46.146 45.100 -0.023 0.000 0.721 636 G HN 0.691 nan 8.290 nan 0.000 0.515 637 Q N 0.950 120.795 119.800 0.075 0.000 2.274 637 Q HA 0.541 4.882 4.340 0.000 0.000 0.260 637 Q C -0.154 175.916 176.000 0.117 0.000 0.974 637 Q CA -0.583 55.297 55.803 0.128 0.000 0.876 637 Q CB 1.105 29.862 28.738 0.032 0.000 1.297 637 Q HN 0.449 nan 8.270 nan 0.000 0.446 638 E N 3.810 124.083 120.200 0.122 0.000 2.351 638 E HA 0.055 4.405 4.350 0.000 0.000 0.266 638 E C -0.573 175.834 176.600 -0.322 0.000 1.031 638 E CA -0.152 56.010 56.400 -0.398 0.000 0.911 638 E CB 0.466 29.872 29.700 -0.490 0.000 0.986 638 E HN 0.514 nan 8.360 nan 0.000 0.446 639 L N 3.069 124.018 121.223 -0.458 0.000 2.506 639 L HA 0.282 4.623 4.340 0.000 0.000 0.199 639 L C 0.730 177.407 176.870 -0.321 0.000 1.178 639 L CA -0.105 54.482 54.840 -0.421 0.000 0.868 639 L CB 0.135 41.771 42.059 -0.705 0.000 1.451 639 L HN 0.714 nan 8.230 nan 0.000 0.526 640 S N -2.707 112.888 115.700 -0.175 0.000 2.656 640 S HA 0.568 5.038 4.470 0.000 0.000 0.265 640 S C -0.014 174.695 174.600 0.181 0.000 1.132 640 S CA -0.130 58.095 58.200 0.041 0.000 0.819 640 S CB 1.027 64.224 63.200 -0.005 0.000 1.119 640 S HN 1.409 nan 8.310 nan 0.000 0.476 641 G N 0.428 109.328 108.800 0.166 0.000 2.195 641 G HA2 -0.216 3.744 3.960 0.000 0.000 0.246 641 G HA3 -0.216 3.744 3.960 0.000 0.000 0.246 641 G C 0.285 175.251 174.900 0.111 0.000 0.984 641 G CA -0.113 45.065 45.100 0.130 0.000 0.633 641 G HN 1.566 nan 8.290 nan 0.000 0.525 642 I N 1.728 122.404 120.570 0.177 0.000 3.153 642 I HA 0.184 4.354 4.170 0.000 0.000 0.330 642 I C 0.963 176.964 176.117 -0.193 0.000 1.198 642 I CA 1.312 62.388 61.300 -0.374 0.000 1.475 642 I CB 0.273 37.992 38.000 -0.468 0.000 1.295 642 I HN 0.637 nan 8.210 nan 0.000 0.540 643 R N 4.270 124.626 120.500 -0.240 0.000 2.846 643 R HA 0.513 4.853 4.340 0.000 0.000 0.263 643 R C -1.268 174.939 176.300 -0.155 0.000 1.080 643 R CA -1.107 54.916 56.100 -0.129 0.000 0.961 643 R CB 0.596 30.825 30.300 -0.119 0.000 1.231 643 R HN 0.539 nan 8.270 nan 0.000 0.465 644 N N -1.160 117.444 118.700 -0.160 0.000 2.524 644 N HA 0.332 5.073 4.740 0.000 0.000 0.283 644 N C -0.103 175.183 175.510 -0.372 0.000 1.142 644 N CA -0.041 52.846 53.050 -0.271 0.000 0.984 644 N CB 1.539 39.910 38.487 -0.193 0.000 1.155 644 N HN 0.666 nan 8.380 nan 0.000 0.467 645 G N 0.023 108.503 108.800 -0.533 0.000 2.975 645 G HA2 0.033 3.993 3.960 0.000 0.000 0.159 645 G HA3 0.033 3.993 3.960 0.000 0.000 0.159 645 G C 0.039 174.800 174.900 -0.230 0.000 1.525 645 G CA -0.025 44.664 45.100 -0.686 0.000 1.075 645 G HN 0.659 nan 8.290 nan 0.000 0.574 646 Y N 0.593 121.161 120.300 0.446 0.000 2.519 646 Y HA 0.195 4.746 4.550 0.000 0.000 0.287 646 Y C 1.516 177.515 175.900 0.164 0.000 1.128 646 Y CA 0.861 59.103 58.100 0.237 0.000 1.282 646 Y CB 0.338 38.916 38.460 0.197 0.000 1.027 646 Y HN 0.425 nan 8.280 nan 0.000 0.551 647 T N -3.905 110.847 114.554 0.329 0.000 2.894 647 T HA 0.132 4.482 4.350 0.000 0.000 0.309 647 T C -0.124 174.584 174.700 0.012 0.000 1.208 647 T CA -0.767 61.421 62.100 0.147 0.000 1.016 647 T CB 1.649 70.598 68.868 0.135 0.000 1.192 647 T HN 0.106 nan 8.240 nan 0.000 0.491 648 D N 0.682 121.056 120.400 -0.044 0.000 2.417 648 D HA -0.037 4.603 4.640 0.000 0.000 0.240 648 D C 1.025 177.231 176.300 -0.156 0.000 1.062 648 D CA 0.168 54.105 54.000 -0.105 0.000 0.959 648 D CB -0.290 40.489 40.800 -0.034 0.000 0.877 648 D HN 0.321 nan 8.370 nan 0.000 0.528 649 V N -0.980 118.848 119.914 -0.144 0.000 3.432 649 V HA 0.051 4.171 4.120 0.000 0.000 0.298 649 V C 0.115 176.212 176.094 0.006 0.000 1.464 649 V CA -0.388 61.863 62.300 -0.083 0.000 1.046 649 V CB -0.402 31.328 31.823 -0.156 0.000 0.887 649 V HN 0.421 nan 8.190 nan 0.000 0.441 650 H N 0.187 119.130 119.070 -0.212 0.000 2.581 650 H HA 0.431 4.987 4.556 0.000 0.000 0.308 650 H C -1.449 173.652 175.328 -0.378 0.000 1.040 650 H CA -0.478 55.586 56.048 0.027 0.000 1.231 650 H CB 0.639 30.574 29.762 0.288 0.000 1.396 650 H HN 0.300 nan 8.280 nan 0.000 0.467 651 Y N 3.641 123.980 120.300 0.064 0.000 2.393 651 Y HA 0.378 4.928 4.550 0.000 0.000 0.341 651 Y C -0.444 175.249 175.900 -0.345 0.000 0.988 651 Y CA -0.889 57.081 58.100 -0.215 0.000 1.078 651 Y CB 1.994 40.341 38.460 -0.189 0.000 1.203 651 Y HN 0.272 nan 8.280 nan 0.000 0.453 652 V N 3.795 123.498 119.914 -0.352 0.000 2.588 652 V HA 0.407 4.527 4.120 0.000 0.000 0.304 652 V C -0.981 174.839 176.094 -0.457 0.000 1.042 652 V CA -1.288 60.811 62.300 -0.335 0.000 0.877 652 V CB 1.516 33.166 31.823 -0.287 0.000 0.996 652 V HN 0.525 nan 8.190 nan 0.000 0.425 653 F N 2.149 122.097 119.950 -0.004 0.000 2.385 653 F HA 0.436 4.963 4.527 0.000 0.000 0.360 653 F C 1.155 176.955 175.800 0.002 0.000 1.122 653 F CA -0.390 57.604 58.000 -0.009 0.000 1.090 653 F CB 1.387 40.376 39.000 -0.018 0.000 1.150 653 F HN 0.475 nan 8.300 nan 0.000 0.472 654 D N 1.536 122.020 120.400 0.139 0.000 2.249 654 D HA -0.045 4.595 4.640 0.000 0.000 0.205 654 D C 0.181 176.530 176.300 0.081 0.000 0.962 654 D CA 1.184 55.229 54.000 0.076 0.000 0.860 654 D CB 0.131 40.949 40.800 0.031 0.000 0.955 654 D HN 0.550 nan 8.370 nan 0.000 0.505 655 N N -0.154 118.601 118.700 0.091 0.000 2.672 655 N HA 0.156 4.896 4.740 0.000 0.000 0.295 655 N C -1.254 174.291 175.510 0.058 0.000 1.924 655 N CA -0.182 52.906 53.050 0.064 0.000 0.851 655 N CB 2.058 40.572 38.487 0.045 0.000 1.281 655 N HN -0.225 nan 8.380 nan 0.000 0.494 656 V N 1.003 120.962 119.914 0.076 0.000 2.488 656 V HA 0.174 4.295 4.120 0.000 0.000 0.277 656 V C 0.476 176.596 176.094 0.044 0.000 1.046 656 V CA 0.011 62.342 62.300 0.052 0.000 0.986 656 V CB 1.330 33.195 31.823 0.070 0.000 0.989 656 V HN 0.303 nan 8.190 nan 0.000 0.475 657 S N 6.239 121.943 115.700 0.008 0.000 2.410 657 S HA 0.551 5.021 4.470 0.000 0.000 0.304 657 S C -0.245 174.339 174.600 -0.027 0.000 1.095 657 S CA -0.429 57.764 58.200 -0.012 0.000 1.089 657 S CB 0.263 63.446 63.200 -0.027 0.000 0.968 657 S HN 0.470 nan 8.310 nan 0.000 0.480 658 L N 3.021 124.221 121.223 -0.038 0.000 2.350 658 L HA 0.572 4.912 4.340 0.000 0.000 0.275 658 L C 0.698 177.480 176.870 -0.146 0.000 1.099 658 L CA -0.479 54.336 54.840 -0.042 0.000 0.808 658 L CB 0.615 42.705 42.059 0.052 0.000 1.149 658 L HN 0.603 nan 8.230 nan 0.000 0.442 659 A N 1.994 124.765 122.820 -0.082 0.000 2.322 659 A HA 0.261 4.581 4.320 0.000 0.000 0.269 659 A C -0.168 177.358 177.584 -0.098 0.000 1.094 659 A CA -0.610 51.374 52.037 -0.089 0.000 0.807 659 A CB 0.146 19.123 19.000 -0.038 0.000 1.047 659 A HN 0.732 nan 8.150 nan 0.000 0.487 660 D N -0.088 120.255 120.400 -0.096 0.000 2.360 660 D HA 0.383 5.023 4.640 0.000 0.000 0.242 660 D C 1.460 177.796 176.300 0.061 0.000 1.184 660 D CA 1.542 55.531 54.000 -0.019 0.000 0.930 660 D CB 0.965 41.762 40.800 -0.005 0.000 1.161 660 D HN 0.927 nan 8.370 nan 0.000 0.447 661 G N 1.310 110.184 108.800 0.123 0.000 5.431 661 G HA2 -0.311 3.649 3.960 0.000 0.000 0.322 661 G HA3 -0.311 3.649 3.960 0.000 0.000 0.322 661 G C 0.337 175.302 174.900 0.109 0.000 1.370 661 G CA 1.155 46.316 45.100 0.101 0.000 0.963 661 G HN 0.722 nan 8.290 nan 0.000 0.797 662 K N 0.732 121.184 120.400 0.086 0.000 2.477 662 K HA 0.610 4.930 4.320 0.000 0.000 0.255 662 K C -1.050 175.595 176.600 0.075 0.000 0.952 662 K CA -0.732 55.607 56.287 0.087 0.000 0.826 662 K CB 1.412 33.946 32.500 0.057 0.000 1.331 662 K HN 0.584 nan 8.250 nan 0.000 0.437 663 N N 2.145 120.899 118.700 0.089 0.000 2.321 663 N HA 0.514 5.255 4.740 0.000 0.000 0.290 663 N C -1.697 173.801 175.510 -0.020 0.000 1.212 663 N CA -0.849 52.227 53.050 0.044 0.000 0.767 663 N CB 1.896 40.439 38.487 0.093 0.000 1.494 663 N HN 0.347 nan 8.380 nan 0.000 0.479 664 I N 1.851 122.373 120.570 -0.082 0.000 2.529 664 I HA 0.340 4.510 4.170 0.000 0.000 0.284 664 I C -1.512 174.499 176.117 -0.176 0.000 1.088 664 I CA -0.117 61.111 61.300 -0.120 0.000 1.062 664 I CB 1.371 39.328 38.000 -0.072 0.000 1.218 664 I HN 0.363 nan 8.210 nan 0.000 0.442 665 L N 7.055 128.113 121.223 -0.275 0.000 2.307 665 L HA 0.603 4.944 4.340 0.000 0.000 0.284 665 L C -0.220 176.526 176.870 -0.207 0.000 1.023 665 L CA -0.553 54.104 54.840 -0.304 0.000 0.810 665 L CB 1.382 43.120 42.059 -0.535 0.000 1.231 665 L HN 0.430 nan 8.230 nan 0.000 0.423 666 K N 2.279 122.608 120.400 -0.119 0.000 2.468 666 K HA 0.839 5.159 4.320 0.000 0.000 0.252 666 K C -1.593 175.015 176.600 0.014 0.000 0.932 666 K CA -0.589 55.669 56.287 -0.049 0.000 0.794 666 K CB 2.557 35.047 32.500 -0.016 0.000 1.241 666 K HN 0.660 nan 8.250 nan 0.000 0.428 667 A N 2.249 125.077 122.820 0.014 0.000 2.386 667 A HA 0.765 5.086 4.320 0.000 0.000 0.311 667 A C -1.456 176.178 177.584 0.083 0.000 1.068 667 A CA -0.625 51.439 52.037 0.044 0.000 0.743 667 A CB 1.726 20.731 19.000 0.008 0.000 1.258 667 A HN 0.339 nan 8.150 nan 0.000 0.429 668 V N 2.542 122.519 119.914 0.104 0.000 2.653 668 V HA 0.559 4.679 4.120 0.000 0.000 0.298 668 V C -0.292 175.858 176.094 0.094 0.000 1.097 668 V CA -0.329 62.038 62.300 0.113 0.000 0.908 668 V CB 1.387 33.294 31.823 0.139 0.000 1.024 668 V HN 1.400 nan 8.190 nan 0.000 0.435 669 V N 1.845 121.828 119.914 0.114 0.000 3.164 669 V HA 0.982 5.102 4.120 0.000 0.000 0.313 669 V C -0.324 175.855 176.094 0.141 0.000 1.188 669 V CA -0.659 61.701 62.300 0.100 0.000 1.058 669 V CB 2.473 34.343 31.823 0.080 0.000 1.110 669 V HN 0.699 nan 8.190 nan 0.000 0.453 670 S N 0.072 115.843 115.700 0.118 0.000 2.540 670 S HA 0.918 5.388 4.470 0.000 0.000 0.275 670 S C -0.186 174.488 174.600 0.125 0.000 1.123 670 S CA 0.226 58.493 58.200 0.111 0.000 0.907 670 S CB 1.504 64.728 63.200 0.041 0.000 1.081 670 S HN 1.640 nan 8.310 nan 0.000 0.476 671 T N -0.170 114.479 114.554 0.158 0.000 2.894 671 T HA 0.693 5.043 4.350 0.000 0.000 0.309 671 T C -0.084 174.677 174.700 0.103 0.000 1.208 671 T CA -0.175 62.001 62.100 0.127 0.000 1.016 671 T CB 0.834 69.791 68.868 0.149 0.000 1.192 671 T HN 1.342 nan 8.240 nan 0.000 0.491 672 K N 0.546 120.987 120.400 0.068 0.000 3.689 672 K HA 0.228 4.548 4.320 0.000 0.000 0.276 672 K C 1.891 178.506 176.600 0.024 0.000 0.932 672 K CA 1.551 57.867 56.287 0.048 0.000 0.758 672 K CB -2.533 30.005 32.500 0.064 0.000 1.500 672 K HN 2.854 nan 8.250 nan 0.000 0.448 673 G N -0.791 108.017 108.800 0.013 0.000 2.468 673 G HA2 -0.320 3.640 3.960 0.000 0.000 0.311 673 G HA3 -0.320 3.640 3.960 0.000 0.000 0.311 673 G C 0.140 175.017 174.900 -0.037 0.000 0.942 673 G CA 1.499 46.594 45.100 -0.008 0.000 0.893 673 G HN 1.500 nan 8.290 nan 0.000 0.513 674 K N -0.598 119.769 120.400 -0.055 0.000 2.395 674 K HA 0.606 4.926 4.320 0.000 0.000 0.247 674 K C -0.914 175.506 176.600 -0.301 0.000 0.973 674 K CA -0.979 55.205 56.287 -0.172 0.000 0.828 674 K CB 1.463 33.855 32.500 -0.181 0.000 1.272 674 K HN 0.000 nan 8.250 nan 0.000 0.439 675 E N 2.658 122.575 120.200 -0.471 0.000 2.218 675 E HA 0.227 4.577 4.350 0.000 0.000 0.263 675 E C -1.656 174.655 176.600 -0.481 0.000 0.879 675 E CA -0.569 55.619 56.400 -0.353 0.000 0.762 675 E CB 0.998 30.597 29.700 -0.168 0.000 1.166 675 E HN 0.470 nan 8.360 nan 0.000 0.415 676 Y N 0.773 121.089 120.300 0.027 0.000 2.446 676 Y HA 0.372 4.922 4.550 0.000 0.000 0.338 676 Y C 0.641 176.558 175.900 0.028 0.000 1.055 676 Y CA -0.512 57.608 58.100 0.034 0.000 1.101 676 Y CB 2.143 40.631 38.460 0.048 0.000 1.221 676 Y HN 0.195 nan 8.280 nan 0.000 0.460 677 T N 2.306 116.973 114.554 0.188 0.000 2.856 677 T HA 0.446 4.796 4.350 0.000 0.000 0.283 677 T C -1.652 173.092 174.700 0.073 0.000 1.008 677 T CA -0.575 61.580 62.100 0.091 0.000 0.997 677 T CB 1.102 70.002 68.868 0.053 0.000 0.992 677 T HN 0.518 nan 8.240 nan 0.000 0.454 678 D N 1.682 122.094 120.400 0.020 0.000 2.937 678 D HA 0.326 4.966 4.640 0.000 0.000 0.215 678 D C -1.323 174.928 176.300 -0.082 0.000 1.274 678 D CA -0.468 53.508 54.000 -0.039 0.000 0.869 678 D CB 1.803 42.559 40.800 -0.073 0.000 1.675 678 D HN 0.595 nan 8.370 nan 0.000 0.538 679 E N 3.824 123.962 120.200 -0.104 0.000 2.275 679 E HA 0.593 4.943 4.350 0.000 0.000 0.270 679 E C -0.790 175.712 176.600 -0.164 0.000 0.882 679 E CA -0.774 55.548 56.400 -0.130 0.000 0.758 679 E CB 1.274 30.921 29.700 -0.089 0.000 1.195 679 E HN 0.516 nan 8.360 nan 0.000 0.419 680 I N 0.195 120.622 120.570 -0.239 0.000 3.436 680 I HA 0.700 4.870 4.170 0.000 0.000 0.296 680 I C -0.692 175.279 176.117 -0.243 0.000 1.143 680 I CA -1.063 60.094 61.300 -0.238 0.000 1.009 680 I CB 1.931 39.748 38.000 -0.305 0.000 1.301 680 I HN 0.627 nan 8.210 nan 0.000 0.503 681 E N 1.431 121.539 120.200 -0.152 0.000 2.432 681 E HA 0.299 4.649 4.350 0.000 0.000 0.272 681 E C -2.141 174.555 176.600 0.161 0.000 0.937 681 E CA -0.566 55.806 56.400 -0.047 0.000 0.812 681 E CB 0.794 30.499 29.700 0.009 0.000 1.377 681 E HN 0.524 nan 8.360 nan 0.000 0.399 682 W N 2.217 123.521 121.300 0.008 0.000 2.436 682 W HA 0.510 5.170 4.660 0.000 0.000 0.347 682 W C -0.068 176.479 176.519 0.047 0.000 1.136 682 W CA -0.962 56.399 57.345 0.026 0.000 1.286 682 W CB 0.961 30.439 29.460 0.031 0.000 1.253 682 W HN 0.419 nan 8.180 nan 0.000 0.617 683 N N 1.020 119.894 118.700 0.289 0.000 2.269 683 N HA 0.395 5.135 4.740 0.000 0.000 0.304 683 N C -1.836 173.799 175.510 0.207 0.000 1.072 683 N CA -0.654 52.515 53.050 0.198 0.000 0.802 683 N CB 2.073 40.634 38.487 0.123 0.000 1.348 683 N HN 0.440 nan 8.380 nan 0.000 0.484 684 Y N 0.389 120.732 120.300 0.071 0.000 2.479 684 Y HA 0.608 5.158 4.550 0.000 0.000 0.338 684 Y C -1.364 174.560 175.900 0.039 0.000 1.055 684 Y CA -0.660 57.470 58.100 0.050 0.000 1.023 684 Y CB 1.413 39.907 38.460 0.057 0.000 1.287 684 Y HN 0.630 nan 8.280 nan 0.000 0.447 685 S N 3.707 119.607 115.700 0.334 0.000 2.581 685 S HA 0.584 5.054 4.470 0.000 0.000 0.306 685 S C -0.333 174.280 174.600 0.021 0.000 1.080 685 S CA -0.537 57.856 58.200 0.322 0.000 0.925 685 S CB 0.530 63.824 63.200 0.155 0.000 1.128 685 S HN 1.897 nan 8.310 nan 0.000 0.451 686 G N 2.795 111.715 108.800 0.200 0.000 2.791 686 G HA2 -0.020 3.940 3.960 0.000 0.000 0.256 686 G HA3 -0.020 3.940 3.960 0.000 0.000 0.256 686 G C -0.641 174.145 174.900 -0.190 0.000 1.380 686 G CA 0.325 45.460 45.100 0.058 0.000 0.904 686 G HN 1.051 nan 8.290 nan 0.000 0.563 687 E N 0.000 120.139 120.200 -0.101 0.000 2.725 687 E HA 0.000 4.350 4.350 0.000 0.000 0.291 687 E CA 0.000 56.322 56.400 -0.131 0.000 0.976 687 E CB 0.000 29.702 29.700 0.003 0.000 0.812 687 E HN 0.000 nan 8.360 nan 0.000 0.440