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 2xsy_1_Y DATA FIRST_RESID 4 DATA SEQUENCE KVEYDLKRLR NIGIAAHIDA GKTTTTERIL YYTGRIHKIG XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX TITAAVTTCF WKDHRINIID TPGHVDFTIE VERSMRVLDG DATA SEQUENCE AIVVFDSSQG VEPQSETVWR QAEKYKVPRI AFANKMDKTG ADLWLVIRTM DATA SEQUENCE QERLGARPVV MQLPIGREDT FSGIIDVLRM KAYTYGNDLG TDIREIPIPE DATA SEQUENCE EYLDQAREYH EKLVEVAADF DENIMLKYLE GEEPTEEELV AAIRKGTIDL DATA SEQUENCE KITPVFLGSA LKNKGVQLLL DAVVDYLPSP LDIPPIKGTT PEGEVVEIHP DATA SEQUENCE DPNGPLAALA FKIMADPYVG RLTFIRVYSG TLTSGSYVYN TTKGRKERVA DATA SEQUENCE RLLRMHANHR EEVEELKAGD LGAVVGLKET ITGDTLVGED APRVILESIE DATA SEQUENCE VPEPVIDVAI EPKTKADQEK LSQALARLAE EDPTFRVSTH PETGQTIISG DATA SEQUENCE MGELHLEIIV DRLKREFKVD ANVGKPQVAY RETITKPVDV EGKFIRQTGG DATA SEQUENCE RGQYGHVKIK VEPLPRGSGF EFVNAIVGGV IPKEYIPAVQ KGIEEAMQSG DATA SEQUENCE PLIGFPVVDI KVTLYDGSYH EVDSSEMAFK IAGSMAIKEA VQKGDPVILE DATA SEQUENCE PIMRVEVTTP EEYMGDVIGD LNARRGQILG MEPRGNAQVI RAFVPLAEMF DATA SEQUENCE GYATDLRSKT QGRGSFVMFF DHYQEVPKQV QEKLIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.617 176.600 0.029 0.000 0.988 4 K CA 0.000 56.294 56.287 0.012 0.000 0.838 4 K CB 0.000 32.508 32.500 0.013 0.000 1.064 5 V N 1.110 121.042 119.914 0.030 0.000 2.403 5 V HA 0.070 4.188 4.120 -0.002 0.000 0.239 5 V C 1.322 177.471 176.094 0.091 0.000 1.041 5 V CA 2.021 64.354 62.300 0.055 0.000 1.051 5 V CB 0.072 31.915 31.823 0.034 0.000 0.704 5 V HN 0.888 nan 8.190 nan 0.000 0.472 6 E N -0.924 119.315 120.200 0.064 0.000 3.153 6 E HA -0.360 3.989 4.350 -0.002 0.000 0.270 6 E C -0.292 176.428 176.600 0.200 0.000 1.018 6 E CA 1.480 57.933 56.400 0.089 0.000 0.781 6 E CB -0.810 28.935 29.700 0.076 0.000 1.394 6 E HN 0.763 nan 8.360 nan 0.000 0.464 7 Y N 0.039 120.366 120.300 0.045 0.000 2.400 7 Y HA 0.361 4.910 4.550 -0.002 0.000 0.335 7 Y C -0.190 175.738 175.900 0.048 0.000 1.066 7 Y CA -0.500 57.636 58.100 0.060 0.000 1.285 7 Y CB 1.134 39.629 38.460 0.059 0.000 1.103 7 Y HN -0.054 nan 8.280 nan 0.000 0.490 8 D N 4.632 124.856 120.400 -0.294 0.000 2.379 8 D HA 0.025 4.664 4.640 -0.002 0.000 0.208 8 D C 1.787 177.811 176.300 -0.461 0.000 1.065 8 D CA 1.172 54.985 54.000 -0.311 0.000 0.848 8 D CB 0.339 41.060 40.800 -0.132 0.000 0.949 8 D HN 0.783 nan 8.370 nan 0.000 0.509 9 L N -0.450 120.379 121.223 -0.658 0.000 3.159 9 L HA -0.420 3.919 4.340 -0.002 0.000 0.370 9 L C 0.720 177.513 176.870 -0.129 0.000 1.458 9 L CA 2.006 56.595 54.840 -0.418 0.000 3.093 9 L CB -1.308 40.532 42.059 -0.365 0.000 1.152 9 L HN -0.003 nan 8.230 nan 0.000 0.779 10 K N 0.157 120.498 120.400 -0.099 0.000 2.585 10 K HA -0.076 4.243 4.320 -0.002 0.000 0.194 10 K C 1.261 177.900 176.600 0.065 0.000 1.037 10 K CA 1.274 57.553 56.287 -0.015 0.000 0.964 10 K CB -0.128 32.362 32.500 -0.016 0.000 0.787 10 K HN 0.570 nan 8.250 nan 0.000 0.488 11 R N -0.040 120.509 120.500 0.082 0.000 2.397 11 R HA 0.166 4.504 4.340 -0.002 0.000 0.241 11 R C -0.111 176.348 176.300 0.265 0.000 0.914 11 R CA -0.228 56.031 56.100 0.265 0.000 1.071 11 R CB 0.511 30.887 30.300 0.126 0.000 1.116 11 R HN -0.039 nan 8.270 nan 0.000 0.524 12 L N 1.659 122.963 121.223 0.135 0.000 2.292 12 L HA 0.341 4.679 4.340 -0.002 0.000 0.284 12 L C -0.254 176.657 176.870 0.069 0.000 1.065 12 L CA -0.245 54.667 54.840 0.120 0.000 0.806 12 L CB 1.280 43.412 42.059 0.121 0.000 1.175 12 L HN -0.063 nan 8.230 nan 0.000 0.431 13 R N 2.890 123.423 120.500 0.055 0.000 2.435 13 R HA 0.350 4.688 4.340 -0.002 0.000 0.308 13 R C -0.785 175.524 176.300 0.014 0.000 0.975 13 R CA -0.266 55.844 56.100 0.017 0.000 0.867 13 R CB 0.942 31.240 30.300 -0.003 0.000 1.171 13 R HN 0.541 nan 8.270 nan 0.000 0.470 14 N N 4.328 123.037 118.700 0.015 0.000 2.444 14 N HA 0.488 5.227 4.740 -0.002 0.000 0.262 14 N C -0.723 174.780 175.510 -0.010 0.000 0.974 14 N CA -0.735 52.318 53.050 0.005 0.000 0.933 14 N CB 1.265 39.766 38.487 0.022 0.000 1.137 14 N HN 0.305 nan 8.380 nan 0.000 0.498 15 I N -1.692 118.859 120.570 -0.031 0.000 2.969 15 I HA 0.778 4.947 4.170 -0.002 0.000 0.307 15 I C 0.028 176.108 176.117 -0.062 0.000 1.149 15 I CA -1.322 59.953 61.300 -0.042 0.000 1.008 15 I CB 1.543 39.516 38.000 -0.046 0.000 1.232 15 I HN 0.361 nan 8.210 nan 0.000 0.435 16 G N 3.033 111.799 108.800 -0.058 0.000 2.513 16 G HA2 0.689 4.647 3.960 -0.002 0.000 0.317 16 G HA3 0.689 4.647 3.960 -0.002 0.000 0.317 16 G C -1.391 173.473 174.900 -0.061 0.000 1.277 16 G CA -0.525 44.532 45.100 -0.071 0.000 0.955 16 G HN 0.410 nan 8.290 nan 0.000 0.484 17 I N 2.193 122.720 120.570 -0.072 0.000 2.291 17 I HA 0.527 4.696 4.170 -0.002 0.000 0.290 17 I C 0.783 176.865 176.117 -0.057 0.000 1.050 17 I CA -0.956 60.308 61.300 -0.060 0.000 1.245 17 I CB 0.710 38.666 38.000 -0.073 0.000 1.405 17 I HN 0.560 nan 8.210 nan 0.000 0.478 18 A N 4.770 127.566 122.820 -0.040 0.000 2.313 18 A HA 1.049 5.367 4.320 -0.002 0.000 0.323 18 A C -0.402 177.143 177.584 -0.065 0.000 1.133 18 A CA -0.005 51.999 52.037 -0.056 0.000 0.847 18 A CB 1.562 20.532 19.000 -0.050 0.000 1.308 18 A HN 1.212 nan 8.150 nan 0.000 0.475 19 A N -0.450 122.317 122.820 -0.090 0.000 2.609 19 A HA 0.457 4.776 4.320 -0.002 0.000 0.305 19 A C -0.703 176.850 177.584 -0.052 0.000 0.888 19 A CA -0.189 51.776 52.037 -0.121 0.000 0.614 19 A CB -0.819 18.097 19.000 -0.140 0.000 1.326 19 A HN 2.451 nan 8.150 nan 0.000 0.417 20 H N 3.040 122.050 119.070 -0.099 0.000 2.732 20 H HA 0.538 5.093 4.556 -0.002 0.000 0.351 20 H C 1.162 176.463 175.328 -0.046 0.000 1.090 20 H CA 0.140 56.210 56.048 0.037 0.000 1.431 20 H CB 0.419 30.250 29.762 0.114 0.000 1.447 20 H HN 1.160 nan 8.280 nan 0.000 0.582 21 I N 0.206 120.508 120.570 -0.446 0.000 3.641 21 I HA -0.179 3.990 4.170 -0.002 0.000 0.267 21 I C 0.860 176.635 176.117 -0.570 0.000 1.330 21 I CA 0.540 61.577 61.300 -0.438 0.000 1.274 21 I CB -0.454 37.380 38.000 -0.276 0.000 1.360 21 I HN 0.983 nan 8.210 nan 0.000 0.641 22 D N 0.404 120.617 120.400 -0.311 0.000 4.210 22 D HA -0.270 4.369 4.640 -0.002 0.000 0.189 22 D C 1.253 177.439 176.300 -0.190 0.000 0.996 22 D CA 3.463 57.327 54.000 -0.227 0.000 2.266 22 D CB -1.396 39.254 40.800 -0.250 0.000 1.151 22 D HN 1.208 nan 8.370 nan 0.000 0.424 23 A N -0.338 122.348 122.820 -0.224 0.000 3.214 23 A HA -0.046 4.272 4.320 -0.002 0.000 0.519 23 A C 1.739 179.268 177.584 -0.091 0.000 1.190 23 A CA 4.374 56.321 52.037 -0.149 0.000 1.775 23 A CB -1.472 17.431 19.000 -0.161 0.000 1.015 23 A HN 1.650 nan 8.150 nan 0.000 0.582 24 G N -3.286 105.476 108.800 -0.063 0.000 4.260 24 G HA2 0.298 4.256 3.960 -0.002 0.000 0.204 24 G HA3 0.298 4.256 3.960 -0.002 0.000 0.204 24 G C 0.664 175.548 174.900 -0.028 0.000 0.952 24 G CA 1.030 46.109 45.100 -0.035 0.000 0.815 24 G HN 0.633 nan 8.290 nan 0.000 0.465 25 K N 0.505 120.880 120.400 -0.041 0.000 2.007 25 K HA -0.240 4.078 4.320 -0.002 0.000 0.231 25 K C 2.533 179.095 176.600 -0.064 0.000 1.044 25 K CA 2.697 58.953 56.287 -0.051 0.000 0.996 25 K CB -0.572 31.887 32.500 -0.069 0.000 0.738 25 K HN 0.232 nan 8.250 nan 0.000 0.447 26 T N 0.583 115.097 114.554 -0.068 0.000 2.580 26 T HA -0.168 4.180 4.350 -0.002 0.000 0.265 26 T C 2.013 176.668 174.700 -0.075 0.000 1.063 26 T CA 2.262 64.320 62.100 -0.069 0.000 1.170 26 T CB -0.714 68.117 68.868 -0.062 0.000 0.863 26 T HN 0.393 nan 8.240 nan 0.000 0.418 27 T N 1.710 116.221 114.554 -0.071 0.000 2.803 27 T HA -0.129 4.220 4.350 -0.002 0.000 0.269 27 T C 2.194 176.836 174.700 -0.097 0.000 1.052 27 T CA 1.555 63.606 62.100 -0.081 0.000 1.136 27 T CB -0.852 67.971 68.868 -0.074 0.000 0.864 27 T HN 0.374 nan 8.240 nan 0.000 0.467 28 T N 1.917 116.422 114.554 -0.081 0.000 2.759 28 T HA -0.129 4.220 4.350 -0.002 0.000 0.269 28 T C 2.243 176.848 174.700 -0.157 0.000 1.042 28 T CA 1.696 63.734 62.100 -0.104 0.000 1.140 28 T CB -0.608 68.218 68.868 -0.070 0.000 0.864 28 T HN 0.468 nan 8.240 nan 0.000 0.455 29 T N 2.037 116.512 114.554 -0.132 0.000 2.770 29 T HA -0.093 4.256 4.350 -0.002 0.000 0.263 29 T C 2.043 176.659 174.700 -0.140 0.000 1.039 29 T CA 1.477 63.496 62.100 -0.135 0.000 1.142 29 T CB -0.282 68.523 68.868 -0.104 0.000 0.868 29 T HN 0.751 nan 8.240 nan 0.000 0.435 30 E N 1.497 121.622 120.200 -0.126 0.000 2.160 30 E HA -0.187 4.161 4.350 -0.002 0.000 0.195 30 E C 2.321 178.815 176.600 -0.177 0.000 0.991 30 E CA 0.853 57.182 56.400 -0.118 0.000 0.810 30 E CB -0.157 29.479 29.700 -0.106 0.000 0.742 30 E HN 0.244 nan 8.360 nan 0.000 0.466 31 R N 0.799 121.151 120.500 -0.247 0.000 2.062 31 R HA -0.029 4.309 4.340 -0.002 0.000 0.231 31 R C 2.563 178.570 176.300 -0.488 0.000 1.136 31 R CA 1.494 57.342 56.100 -0.419 0.000 0.948 31 R CB -0.591 29.472 30.300 -0.394 0.000 0.845 31 R HN 0.356 nan 8.270 nan 0.000 0.430 32 I N 1.187 121.548 120.570 -0.348 0.000 2.399 32 I HA -0.235 3.933 4.170 -0.002 0.000 0.254 32 I C 0.544 176.547 176.117 -0.190 0.000 1.146 32 I CA 0.841 61.968 61.300 -0.288 0.000 1.412 32 I CB -0.253 37.608 38.000 -0.232 0.000 1.076 32 I HN -0.016 nan 8.210 nan 0.000 0.432 33 L N 0.238 121.372 121.223 -0.148 0.000 2.397 33 L HA 0.092 4.430 4.340 -0.002 0.000 0.263 33 L C 0.031 176.904 176.870 0.003 0.000 1.136 33 L CA 0.571 55.375 54.840 -0.059 0.000 1.019 33 L CB -0.094 41.938 42.059 -0.044 0.000 1.352 33 L HN 0.170 nan 8.230 nan 0.000 0.420 34 Y N -0.198 120.008 120.300 -0.156 0.000 2.849 34 Y HA -0.063 4.486 4.550 -0.002 0.000 0.336 34 Y C 0.831 176.799 175.900 0.113 0.000 0.888 34 Y CA -0.015 58.027 58.100 -0.098 0.000 0.885 34 Y CB -0.247 38.072 38.460 -0.236 0.000 1.387 34 Y HN 0.275 nan 8.280 nan 0.000 0.535 35 Y N 0.396 120.740 120.300 0.073 0.000 2.230 35 Y HA -0.070 4.478 4.550 -0.002 0.000 0.294 35 Y C 2.454 178.394 175.900 0.067 0.000 1.120 35 Y CA 1.180 59.285 58.100 0.009 0.000 1.129 35 Y CB 0.040 38.432 38.460 -0.114 0.000 1.040 35 Y HN 0.235 nan 8.280 nan 0.000 0.519 36 T N -2.588 112.103 114.554 0.228 0.000 3.051 36 T HA 0.008 4.356 4.350 -0.002 0.000 0.269 36 T C 1.239 176.088 174.700 0.248 0.000 1.127 36 T CA 1.073 63.376 62.100 0.338 0.000 1.107 36 T CB -0.257 68.730 68.868 0.198 0.000 0.898 36 T HN 0.342 nan 8.240 nan 0.000 0.517 37 G N 0.476 109.351 108.800 0.124 0.000 5.077 37 G HA2 0.335 4.294 3.960 -0.002 0.000 0.230 37 G HA3 0.335 4.294 3.960 -0.002 0.000 0.230 37 G C 0.573 175.425 174.900 -0.081 0.000 0.924 37 G CA -0.546 44.578 45.100 0.039 0.000 0.770 37 G HN 0.342 nan 8.290 nan 0.000 0.512 38 R N 0.322 120.746 120.500 -0.127 0.000 2.200 38 R HA 0.103 4.441 4.340 -0.002 0.000 0.208 38 R C 2.197 178.399 176.300 -0.164 0.000 1.033 38 R CA 0.457 56.369 56.100 -0.313 0.000 1.000 38 R CB -0.286 29.819 30.300 -0.325 0.000 0.906 38 R HN 0.311 nan 8.270 nan 0.000 0.462 39 I N 0.460 121.008 120.570 -0.037 0.000 4.884 39 I HA -0.501 3.668 4.170 -0.002 0.000 0.041 39 I C 0.471 176.647 176.117 0.098 0.000 0.635 39 I CA 2.549 63.862 61.300 0.021 0.000 0.295 39 I CB -1.806 36.200 38.000 0.009 0.000 0.365 39 I HN 0.667 nan 8.210 nan 0.000 0.152 40 H N 1.703 120.754 119.070 -0.033 0.000 2.969 40 H HA -0.118 4.437 4.556 -0.002 0.000 0.347 40 H C -0.124 175.193 175.328 -0.019 0.000 1.235 40 H CA 0.462 56.493 56.048 -0.028 0.000 1.179 40 H CB -0.677 29.066 29.762 -0.032 0.000 1.578 40 H HN 0.418 nan 8.280 nan 0.000 0.431 41 K N 2.369 122.818 120.400 0.082 0.000 2.270 41 K HA 0.314 4.632 4.320 -0.002 0.000 0.255 41 K C 0.242 176.842 176.600 -0.000 0.000 0.936 41 K CA -1.171 55.129 56.287 0.020 0.000 0.809 41 K CB 1.904 34.412 32.500 0.013 0.000 1.131 41 K HN 0.119 nan 8.250 nan 0.000 0.427 42 I N 3.623 124.181 120.570 -0.020 0.000 2.886 42 I HA -0.057 4.112 4.170 -0.002 0.000 0.293 42 I C 0.857 176.966 176.117 -0.013 0.000 1.157 42 I CA 0.951 62.237 61.300 -0.023 0.000 1.472 42 I CB -1.255 36.729 38.000 -0.026 0.000 1.492 42 I HN 0.730 nan 8.210 nan 0.000 0.652 65 I N 3.450 124.007 120.570 -0.021 0.000 3.784 65 I HA 0.293 4.461 4.170 -0.002 0.000 0.314 65 I C 1.135 177.239 176.117 -0.021 0.000 1.401 65 I CA -0.074 61.207 61.300 -0.032 0.000 1.254 65 I CB -1.863 36.105 38.000 -0.054 0.000 1.165 65 I HN 0.825 nan 8.210 nan 0.000 0.420 66 T N 3.173 117.732 114.554 0.008 0.000 2.454 66 T HA 0.088 4.437 4.350 -0.002 0.000 0.199 66 T C 0.626 175.355 174.700 0.049 0.000 1.231 66 T CA 1.045 63.167 62.100 0.037 0.000 3.885 66 T CB -1.726 67.173 68.868 0.051 0.000 0.589 66 T HN 1.859 nan 8.240 nan 0.000 0.207 67 A N 2.376 125.209 122.820 0.023 0.000 2.435 67 A HA 0.303 4.622 4.320 -0.002 0.000 0.686 67 A C 1.395 178.807 177.584 -0.286 0.000 0.138 67 A CA 0.368 52.387 52.037 -0.029 0.000 0.026 67 A CB -1.902 17.302 19.000 0.341 0.000 3.973 67 A HN 2.370 nan 8.150 nan 0.000 0.548 68 A N 2.203 124.649 122.820 -0.623 0.000 2.459 68 A HA -0.045 4.273 4.320 -0.002 0.000 0.260 68 A C 1.852 179.247 177.584 -0.315 0.000 2.445 68 A CA 2.841 54.544 52.037 -0.555 0.000 1.030 68 A CB -1.320 17.192 19.000 -0.814 0.000 0.575 68 A HN 2.625 nan 8.150 nan 0.000 0.466 69 V N -0.351 119.399 119.914 -0.273 0.000 2.686 69 V HA 0.585 4.704 4.120 -0.002 0.000 0.295 69 V C 0.099 176.216 176.094 0.039 0.000 1.057 69 V CA 0.533 62.807 62.300 -0.044 0.000 1.012 69 V CB 1.407 33.286 31.823 0.093 0.000 1.006 69 V HN 0.803 nan 8.190 nan 0.000 0.477 70 T N 3.543 118.106 114.554 0.015 0.000 2.896 70 T HA 0.567 4.916 4.350 -0.002 0.000 0.297 70 T C -0.574 174.132 174.700 0.011 0.000 1.108 70 T CA -0.414 61.706 62.100 0.033 0.000 1.004 70 T CB 1.838 70.714 68.868 0.014 0.000 1.159 70 T HN 0.896 nan 8.240 nan 0.000 0.499 71 T N -0.978 113.598 114.554 0.037 0.000 2.888 71 T HA 0.755 5.104 4.350 -0.002 0.000 0.284 71 T C -0.077 174.560 174.700 -0.105 0.000 1.017 71 T CA -0.878 61.194 62.100 -0.047 0.000 1.022 71 T CB 0.555 69.402 68.868 -0.035 0.000 1.013 71 T HN 1.111 nan 8.240 nan 0.000 0.465 72 C N 1.340 120.514 119.300 -0.210 0.000 3.082 72 C HA 0.806 5.264 4.460 -0.002 0.000 0.324 72 C C -1.288 173.586 174.990 -0.192 0.000 1.210 72 C CA -1.440 57.486 59.018 -0.153 0.000 1.366 72 C CB -0.258 27.463 27.740 -0.031 0.000 1.756 72 C HN 0.899 nan 8.230 nan 0.000 0.485 73 F N 2.606 122.619 119.950 0.105 0.000 2.415 73 F HA 0.567 5.093 4.527 -0.002 0.000 0.348 73 F C 0.074 176.046 175.800 0.287 0.000 1.119 73 F CA -0.311 57.777 58.000 0.146 0.000 1.069 73 F CB 1.152 40.193 39.000 0.069 0.000 1.124 73 F HN 0.793 nan 8.300 nan 0.000 0.472 74 W N 7.238 128.693 121.300 0.258 0.000 2.521 74 W HA 0.316 4.975 4.660 -0.002 0.000 0.310 74 W C -0.900 175.734 176.519 0.193 0.000 1.000 74 W CA -1.290 56.159 57.345 0.174 0.000 1.353 74 W CB 1.115 30.643 29.460 0.113 0.000 1.276 74 W HN 0.615 nan 8.180 nan 0.000 0.417 75 K N 5.409 125.525 120.400 -0.472 0.000 5.934 75 K HA -0.235 4.084 4.320 -0.002 0.000 0.500 75 K C -0.124 176.348 176.600 -0.214 0.000 1.231 75 K CA 1.386 57.410 56.287 -0.438 0.000 1.388 75 K CB -0.463 31.674 32.500 -0.605 0.000 1.841 75 K HN 0.672 nan 8.250 nan 0.000 0.357 76 D N 2.263 122.539 120.400 -0.208 0.000 2.813 76 D HA -0.238 4.400 4.640 -0.002 0.000 0.218 76 D C -0.555 175.539 176.300 -0.343 0.000 1.240 76 D CA 1.534 55.388 54.000 -0.244 0.000 0.644 76 D CB -0.663 39.956 40.800 -0.302 0.000 0.966 76 D HN 0.476 nan 8.370 nan 0.000 0.398 77 H N -0.218 118.962 119.070 0.183 0.000 3.128 77 H HA 0.251 4.806 4.556 -0.002 0.000 0.336 77 H C 0.020 175.536 175.328 0.315 0.000 1.026 77 H CA -0.695 55.477 56.048 0.206 0.000 1.376 77 H CB 1.398 31.238 29.762 0.130 0.000 1.882 77 H HN 0.068 nan 8.280 nan 0.000 0.479 78 R N 4.307 125.028 120.500 0.370 0.000 2.254 78 R HA 0.447 4.786 4.340 -0.002 0.000 0.318 78 R C -0.813 175.479 176.300 -0.014 0.000 1.031 78 R CA -0.361 55.746 56.100 0.012 0.000 0.905 78 R CB 0.343 30.616 30.300 -0.044 0.000 1.050 78 R HN 0.504 nan 8.270 nan 0.000 0.456 79 I N 3.934 124.450 120.570 -0.091 0.000 2.441 79 I HA 0.268 4.437 4.170 -0.002 0.000 0.295 79 I C -0.532 175.546 176.117 -0.066 0.000 0.994 79 I CA -1.191 60.087 61.300 -0.036 0.000 1.144 79 I CB 1.985 39.987 38.000 0.003 0.000 1.314 79 I HN 0.573 nan 8.210 nan 0.000 0.445 80 N N 7.283 125.963 118.700 -0.035 0.000 2.400 80 N HA 0.610 5.349 4.740 -0.002 0.000 0.288 80 N C -0.873 174.613 175.510 -0.040 0.000 1.024 80 N CA -0.360 52.673 53.050 -0.028 0.000 0.894 80 N CB 2.248 40.734 38.487 -0.001 0.000 1.173 80 N HN 0.423 nan 8.380 nan 0.000 0.487 81 I N 1.639 122.180 120.570 -0.048 0.000 2.569 81 I HA 0.497 4.666 4.170 -0.002 0.000 0.296 81 I C -0.132 175.937 176.117 -0.081 0.000 1.028 81 I CA -0.815 60.444 61.300 -0.068 0.000 1.082 81 I CB 1.941 39.895 38.000 -0.076 0.000 1.264 81 I HN 0.282 nan 8.210 nan 0.000 0.429 82 I N 3.823 124.332 120.570 -0.103 0.000 2.796 82 I HA 0.172 4.341 4.170 -0.002 0.000 0.279 82 I C -0.511 175.532 176.117 -0.123 0.000 1.289 82 I CA -0.408 60.812 61.300 -0.132 0.000 1.021 82 I CB 0.846 38.735 38.000 -0.185 0.000 1.414 82 I HN 0.604 nan 8.210 nan 0.000 0.562 83 D N 3.528 123.865 120.400 -0.105 0.000 2.308 83 D HA 0.286 4.925 4.640 -0.002 0.000 0.251 83 D C 0.097 176.341 176.300 -0.093 0.000 1.127 83 D CA 0.387 54.330 54.000 -0.095 0.000 0.876 83 D CB 1.996 42.745 40.800 -0.086 0.000 1.176 83 D HN 0.474 nan 8.370 nan 0.000 0.446 84 T N 2.479 116.979 114.554 -0.089 0.000 3.538 84 T HA 0.058 4.407 4.350 -0.002 0.000 0.291 84 T C -1.741 172.908 174.700 -0.085 0.000 0.851 84 T CA 0.158 62.211 62.100 -0.078 0.000 0.957 84 T CB -1.045 67.776 68.868 -0.079 0.000 1.163 84 T HN 0.305 nan 8.240 nan 0.000 0.624 85 P HA -0.250 nan 4.420 nan 0.000 0.240 85 P C 1.372 178.588 177.300 -0.141 0.000 0.765 85 P CA 2.875 65.907 63.100 -0.112 0.000 1.100 85 P CB -0.503 31.138 31.700 -0.098 0.000 0.753 86 G N -3.779 104.948 108.800 -0.122 0.000 2.383 86 G HA2 -0.379 3.580 3.960 -0.002 0.000 0.229 86 G HA3 -0.379 3.580 3.960 -0.002 0.000 0.229 86 G C 0.782 175.624 174.900 -0.098 0.000 1.089 86 G CA 1.688 46.697 45.100 -0.151 0.000 0.640 86 G HN 0.758 nan 8.290 nan 0.000 0.510 87 H N -0.645 118.275 119.070 -0.251 0.000 4.988 87 H HA -0.281 4.274 4.556 -0.002 0.000 0.062 87 H C 1.481 176.641 175.328 -0.279 0.000 0.573 87 H CA 3.433 59.359 56.048 -0.203 0.000 0.989 87 H CB -1.764 27.948 29.762 -0.083 0.000 0.461 87 H HN 1.923 nan 8.280 nan 0.000 0.781 88 V N 1.765 121.517 119.914 -0.271 0.000 3.308 88 V HA -0.149 3.970 4.120 -0.002 0.000 0.276 88 V C 1.257 177.130 176.094 -0.369 0.000 1.134 88 V CA 1.306 63.398 62.300 -0.347 0.000 1.233 88 V CB -1.110 30.535 31.823 -0.297 0.000 0.732 88 V HN 0.815 nan 8.190 nan 0.000 0.384 89 D N 3.295 123.555 120.400 -0.233 0.000 4.450 89 D HA -0.314 4.325 4.640 -0.002 0.000 0.209 89 D C 0.402 176.681 176.300 -0.036 0.000 0.603 89 D CA 2.558 56.520 54.000 -0.064 0.000 1.127 89 D CB -1.285 39.580 40.800 0.108 0.000 0.621 89 D HN 1.174 nan 8.370 nan 0.000 0.431 90 F N 2.117 122.011 119.950 -0.093 0.000 2.484 90 F HA 0.372 4.897 4.527 -0.002 0.000 0.355 90 F C 1.561 177.319 175.800 -0.070 0.000 1.170 90 F CA 0.389 58.305 58.000 -0.141 0.000 1.025 90 F CB -0.518 38.291 39.000 -0.320 0.000 1.107 90 F HN 0.244 nan 8.300 nan 0.000 0.589 91 T N 2.233 116.754 114.554 -0.055 0.000 2.925 91 T HA -0.037 4.312 4.350 -0.002 0.000 0.232 91 T C 1.812 176.493 174.700 -0.031 0.000 1.055 91 T CA 0.853 62.905 62.100 -0.081 0.000 1.419 91 T CB -0.405 68.442 68.868 -0.035 0.000 1.094 91 T HN 0.649 nan 8.240 nan 0.000 0.423 92 I N 1.159 121.722 120.570 -0.012 0.000 4.511 92 I HA -0.382 3.786 4.170 -0.002 0.000 0.065 92 I C 1.907 178.013 176.117 -0.018 0.000 0.610 92 I CA 2.717 64.015 61.300 -0.004 0.000 0.881 92 I CB -1.406 36.607 38.000 0.021 0.000 0.798 92 I HN 0.617 nan 8.210 nan 0.000 0.171 93 E N 0.885 121.087 120.200 0.004 0.000 2.047 93 E HA -0.112 4.237 4.350 -0.002 0.000 0.191 93 E C 2.117 178.673 176.600 -0.073 0.000 0.987 93 E CA 2.249 58.639 56.400 -0.017 0.000 0.799 93 E CB -0.295 29.423 29.700 0.029 0.000 0.752 93 E HN 0.538 nan 8.360 nan 0.000 0.449 94 V N 2.358 122.222 119.914 -0.083 0.000 2.250 94 V HA -0.255 3.863 4.120 -0.002 0.000 0.250 94 V C 2.122 178.144 176.094 -0.120 0.000 1.060 94 V CA 2.277 64.512 62.300 -0.108 0.000 1.030 94 V CB -0.665 31.091 31.823 -0.112 0.000 0.643 94 V HN 0.236 nan 8.190 nan 0.000 0.445 95 E N 0.033 120.169 120.200 -0.107 0.000 2.515 95 E HA -0.179 4.170 4.350 -0.002 0.000 0.201 95 E C 2.040 178.542 176.600 -0.164 0.000 1.071 95 E CA 0.871 57.197 56.400 -0.123 0.000 0.880 95 E CB -0.386 29.262 29.700 -0.087 0.000 0.828 95 E HN 0.796 nan 8.360 nan 0.000 0.540 96 R N -0.001 120.409 120.500 -0.151 0.000 2.072 96 R HA 0.111 4.449 4.340 -0.002 0.000 0.214 96 R C 2.126 178.290 176.300 -0.228 0.000 1.168 96 R CA 0.907 56.910 56.100 -0.161 0.000 1.020 96 R CB -0.354 29.887 30.300 -0.097 0.000 0.914 96 R HN -0.090 nan 8.270 nan 0.000 0.449 97 S N 1.562 117.116 115.700 -0.243 0.000 2.374 97 S HA -0.242 4.226 4.470 -0.002 0.000 0.227 97 S C 1.891 176.335 174.600 -0.260 0.000 1.037 97 S CA 1.847 59.855 58.200 -0.320 0.000 1.024 97 S CB -0.402 62.629 63.200 -0.283 0.000 0.861 97 S HN 0.398 nan 8.310 nan 0.000 0.456 98 M N 1.052 120.517 119.600 -0.227 0.000 2.113 98 M HA -0.292 4.187 4.480 -0.002 0.000 0.255 98 M C 2.104 178.163 176.300 -0.401 0.000 1.073 98 M CA 1.725 56.897 55.300 -0.213 0.000 1.091 98 M CB -0.079 32.408 32.600 -0.188 0.000 1.309 98 M HN 0.059 nan 8.290 nan 0.000 0.407 99 R N -0.230 119.881 120.500 -0.648 0.000 2.080 99 R HA -0.144 4.194 4.340 -0.002 0.000 0.236 99 R C 2.171 178.292 176.300 -0.298 0.000 1.137 99 R CA 1.838 57.396 56.100 -0.902 0.000 0.943 99 R CB -1.500 28.451 30.300 -0.581 0.000 0.846 99 R HN 0.553 nan 8.270 nan 0.000 0.431 100 V N 1.559 121.391 119.914 -0.137 0.000 2.237 100 V HA -0.057 4.061 4.120 -0.002 0.000 0.245 100 V C 0.972 177.094 176.094 0.046 0.000 1.046 100 V CA 1.460 63.779 62.300 0.032 0.000 1.007 100 V CB -0.539 31.245 31.823 -0.065 0.000 0.638 100 V HN 0.283 nan 8.190 nan 0.000 0.445 101 L N 0.708 121.908 121.223 -0.038 0.000 2.483 101 L HA 0.201 4.540 4.340 -0.002 0.000 0.277 101 L C 1.287 178.209 176.870 0.087 0.000 1.248 101 L CA 0.942 55.786 54.840 0.007 0.000 0.825 101 L CB -0.308 41.723 42.059 -0.047 0.000 1.096 101 L HN 0.534 nan 8.230 nan 0.000 0.512 102 D N -0.343 120.099 120.400 0.069 0.000 2.463 102 D HA 0.186 4.825 4.640 -0.002 0.000 0.237 102 D C 0.783 177.112 176.300 0.048 0.000 1.013 102 D CA 0.589 54.636 54.000 0.079 0.000 0.910 102 D CB 0.421 41.262 40.800 0.067 0.000 1.080 102 D HN 0.684 nan 8.370 nan 0.000 0.498 103 G N -0.026 108.790 108.800 0.027 0.000 3.013 103 G HA2 0.660 4.619 3.960 -0.002 0.000 0.278 103 G HA3 0.660 4.619 3.960 -0.002 0.000 0.278 103 G C -1.436 173.469 174.900 0.007 0.000 1.353 103 G CA -0.355 44.755 45.100 0.016 0.000 1.043 103 G HN 0.431 nan 8.290 nan 0.000 0.523 104 A N -0.979 121.847 122.820 0.010 0.000 2.590 104 A HA 0.564 4.883 4.320 -0.002 0.000 0.296 104 A C -1.876 175.726 177.584 0.029 0.000 1.050 104 A CA -0.510 51.531 52.037 0.007 0.000 0.697 104 A CB 1.021 20.028 19.000 0.011 0.000 1.277 104 A HN 0.659 nan 8.150 nan 0.000 0.411 105 I N 1.428 122.008 120.570 0.016 0.000 2.330 105 I HA 0.412 4.581 4.170 -0.002 0.000 0.289 105 I C -0.116 176.064 176.117 0.107 0.000 1.001 105 I CA -0.491 60.838 61.300 0.048 0.000 1.193 105 I CB 1.725 39.711 38.000 -0.025 0.000 1.345 105 I HN 0.305 nan 8.210 nan 0.000 0.461 106 V N 7.395 127.432 119.914 0.206 0.000 2.322 106 V HA 0.211 4.330 4.120 -0.002 0.000 0.258 106 V C 0.395 176.665 176.094 0.293 0.000 1.074 106 V CA -0.762 61.662 62.300 0.207 0.000 0.909 106 V CB 0.563 32.571 31.823 0.309 0.000 1.090 106 V HN 0.435 nan 8.190 nan 0.000 0.486 107 V N 5.685 125.700 119.914 0.169 0.000 2.673 107 V HA 0.179 4.298 4.120 -0.002 0.000 0.303 107 V C -0.108 176.062 176.094 0.125 0.000 1.046 107 V CA 0.620 63.053 62.300 0.222 0.000 1.126 107 V CB 0.127 32.031 31.823 0.135 0.000 0.934 107 V HN 0.611 nan 8.190 nan 0.000 0.487 108 F N 1.577 121.525 119.950 -0.003 0.000 2.565 108 F HA 0.409 4.935 4.527 -0.002 0.000 0.313 108 F C 0.048 175.787 175.800 -0.102 0.000 1.091 108 F CA -0.828 57.148 58.000 -0.040 0.000 0.915 108 F CB 1.950 40.917 39.000 -0.055 0.000 1.208 108 F HN 0.371 nan 8.300 nan 0.000 0.453 109 D N 1.543 122.012 120.400 0.114 0.000 2.347 109 D HA 0.222 4.861 4.640 -0.002 0.000 0.235 109 D C 0.766 177.062 176.300 -0.008 0.000 1.149 109 D CA 0.271 54.272 54.000 0.002 0.000 0.850 109 D CB 1.602 42.391 40.800 -0.019 0.000 1.061 109 D HN 0.458 nan 8.370 nan 0.000 0.487 110 S N 1.522 117.162 115.700 -0.100 0.000 2.389 110 S HA -0.231 4.238 4.470 -0.002 0.000 0.229 110 S C 2.028 176.569 174.600 -0.099 0.000 1.048 110 S CA 1.316 59.431 58.200 -0.142 0.000 1.117 110 S CB -0.225 62.842 63.200 -0.222 0.000 1.020 110 S HN 0.506 nan 8.310 nan 0.000 0.430 111 S N 0.964 116.606 115.700 -0.097 0.000 2.427 111 S HA -0.191 4.277 4.470 -0.002 0.000 0.231 111 S C 1.128 175.709 174.600 -0.031 0.000 1.045 111 S CA 1.351 59.511 58.200 -0.066 0.000 1.154 111 S CB -0.531 62.630 63.200 -0.065 0.000 1.093 111 S HN 0.537 nan 8.310 nan 0.000 0.422 112 Q N 1.345 121.139 119.800 -0.009 0.000 2.318 112 Q HA 0.209 4.547 4.340 -0.002 0.000 0.270 112 Q C 0.558 176.576 176.000 0.030 0.000 1.237 112 Q CA 0.468 56.284 55.803 0.021 0.000 0.937 112 Q CB 0.105 28.877 28.738 0.056 0.000 1.375 112 Q HN 0.381 nan 8.270 nan 0.000 0.452 113 G N 2.057 110.865 108.800 0.014 0.000 2.645 113 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.207 113 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.207 113 G C 0.459 175.370 174.900 0.018 0.000 1.145 113 G CA 0.250 45.356 45.100 0.011 0.000 0.831 113 G HN 0.520 nan 8.290 nan 0.000 0.563 114 V N 3.070 122.993 119.914 0.016 0.000 3.458 114 V HA 0.116 4.235 4.120 -0.002 0.000 0.318 114 V C 0.851 176.958 176.094 0.021 0.000 1.182 114 V CA 0.134 62.444 62.300 0.017 0.000 1.303 114 V CB -1.703 30.128 31.823 0.013 0.000 1.073 114 V HN 0.601 nan 8.190 nan 0.000 0.418 115 E N 1.770 121.988 120.200 0.030 0.000 2.757 115 E HA -0.036 4.312 4.350 -0.002 0.000 0.238 115 E C -1.591 175.016 176.600 0.011 0.000 1.057 115 E CA -0.531 55.890 56.400 0.035 0.000 0.952 115 E CB 0.336 30.079 29.700 0.072 0.000 0.934 115 E HN 0.431 nan 8.360 nan 0.000 0.518 116 P HA -0.060 nan 4.420 nan 0.000 0.234 116 P C 0.681 177.914 177.300 -0.111 0.000 1.175 116 P CA 0.390 63.472 63.100 -0.030 0.000 0.801 116 P CB 0.550 32.242 31.700 -0.013 0.000 0.891 117 Q N 0.123 119.773 119.800 -0.251 0.000 2.179 117 Q HA 0.127 4.466 4.340 -0.002 0.000 0.213 117 Q C 1.779 177.576 176.000 -0.339 0.000 0.833 117 Q CA 0.177 55.681 55.803 -0.497 0.000 0.990 117 Q CB -0.157 27.811 28.738 -1.284 0.000 1.132 117 Q HN 0.270 nan 8.270 nan 0.000 0.493 118 S N -0.186 115.453 115.700 -0.101 0.000 2.370 118 S HA -0.221 4.248 4.470 -0.002 0.000 0.226 118 S C 1.060 175.590 174.600 -0.115 0.000 1.033 118 S CA 1.013 59.179 58.200 -0.057 0.000 1.011 118 S CB -0.434 62.893 63.200 0.212 0.000 0.852 118 S HN 0.562 nan 8.310 nan 0.000 0.457 119 E N 1.897 122.078 120.200 -0.033 0.000 4.166 119 E HA 0.027 4.376 4.350 -0.002 0.000 0.527 119 E C 1.450 178.024 176.600 -0.043 0.000 1.527 119 E CA 0.743 57.139 56.400 -0.006 0.000 3.315 119 E CB -1.082 28.627 29.700 0.016 0.000 1.030 119 E HN 0.551 nan 8.360 nan 0.000 0.482 120 T N -2.636 111.911 114.554 -0.013 0.000 13.199 120 T HA -0.432 3.916 4.350 -0.002 0.000 0.419 120 T C 1.747 176.346 174.700 -0.168 0.000 1.441 120 T CA 3.689 65.726 62.100 -0.106 0.000 2.362 120 T CB -2.759 65.992 68.868 -0.196 0.000 2.811 120 T HN 1.375 nan 8.240 nan 0.000 0.634 121 V N 0.330 120.032 119.914 -0.354 0.000 2.308 121 V HA -0.373 3.746 4.120 -0.002 0.000 0.252 121 V C 2.216 178.294 176.094 -0.027 0.000 1.066 121 V CA 3.768 65.925 62.300 -0.237 0.000 1.104 121 V CB -2.343 29.367 31.823 -0.188 0.000 0.786 121 V HN 0.978 nan 8.190 nan 0.000 0.473 122 W N 2.148 123.380 121.300 -0.113 0.000 2.354 122 W HA -0.173 4.485 4.660 -0.002 0.000 0.315 122 W C 2.776 179.282 176.519 -0.022 0.000 1.206 122 W CA 2.512 59.837 57.345 -0.032 0.000 1.290 122 W CB -0.562 28.916 29.460 0.030 0.000 1.152 122 W HN 0.356 nan 8.180 nan 0.000 0.489 123 R N 1.015 121.684 120.500 0.282 0.000 2.377 123 R HA -0.173 4.165 4.340 -0.002 0.000 0.207 123 R C 1.191 177.474 176.300 -0.028 0.000 1.075 123 R CA 1.476 57.675 56.100 0.165 0.000 1.035 123 R CB -0.141 30.309 30.300 0.250 0.000 0.857 123 R HN 0.359 nan 8.270 nan 0.000 0.475 124 Q N -1.965 117.795 119.800 -0.067 0.000 2.159 124 Q HA 0.259 4.598 4.340 -0.002 0.000 0.217 124 Q C 0.669 176.607 176.000 -0.103 0.000 0.818 124 Q CA 0.165 55.923 55.803 -0.076 0.000 1.008 124 Q CB 1.660 30.352 28.738 -0.078 0.000 1.148 124 Q HN 0.269 nan 8.270 nan 0.000 0.491 125 A N 1.262 123.964 122.820 -0.198 0.000 1.938 125 A HA -0.076 4.242 4.320 -0.002 0.000 0.207 125 A C 1.859 179.290 177.584 -0.254 0.000 1.292 125 A CA 0.698 52.610 52.037 -0.210 0.000 0.700 125 A CB -0.150 18.680 19.000 -0.283 0.000 0.947 125 A HN 0.393 nan 8.150 nan 0.000 0.476 126 E N 0.583 120.512 120.200 -0.451 0.000 2.409 126 E HA -0.199 4.150 4.350 -0.002 0.000 0.198 126 E C 1.683 178.165 176.600 -0.197 0.000 1.024 126 E CA 1.250 57.426 56.400 -0.374 0.000 0.861 126 E CB -0.284 29.145 29.700 -0.452 0.000 0.788 126 E HN 0.600 nan 8.360 nan 0.000 0.521 127 K N 0.091 120.407 120.400 -0.139 0.000 2.103 127 K HA -0.231 4.088 4.320 -0.002 0.000 0.207 127 K C 1.786 178.397 176.600 0.020 0.000 1.048 127 K CA 1.642 57.900 56.287 -0.048 0.000 0.930 127 K CB -0.170 32.310 32.500 -0.033 0.000 0.716 127 K HN 0.338 nan 8.250 nan 0.000 0.444 128 Y N -0.213 120.022 120.300 -0.108 0.000 2.464 128 Y HA 0.217 4.765 4.550 -0.002 0.000 0.288 128 Y C -0.356 175.495 175.900 -0.081 0.000 1.133 128 Y CA 0.472 58.522 58.100 -0.083 0.000 1.223 128 Y CB 0.835 39.246 38.460 -0.081 0.000 1.187 128 Y HN -0.032 nan 8.280 nan 0.000 0.539 129 K N 1.142 121.258 120.400 -0.474 0.000 2.436 129 K HA 0.024 4.343 4.320 -0.002 0.000 0.897 129 K C -2.181 174.045 176.600 -0.624 0.000 0.898 129 K CA 0.280 56.250 56.287 -0.528 0.000 0.997 129 K CB -1.247 30.971 32.500 -0.470 0.000 2.912 129 K HN 0.109 nan 8.250 nan 0.000 0.261 130 V N 2.833 122.549 119.914 -0.332 0.000 3.048 130 V HA 0.570 4.688 4.120 -0.002 0.000 0.303 130 V C -2.457 173.561 176.094 -0.127 0.000 1.214 130 V CA -1.587 60.605 62.300 -0.181 0.000 0.984 130 V CB 2.663 34.492 31.823 0.011 0.000 1.054 130 V HN 0.324 nan 8.190 nan 0.000 0.430 131 P HA 0.577 nan 4.420 nan 0.000 0.286 131 P C -1.635 175.675 177.300 0.017 0.000 1.261 131 P CA -0.514 62.569 63.100 -0.028 0.000 0.821 131 P CB 0.665 32.359 31.700 -0.010 0.000 1.013 132 R N 2.861 123.402 120.500 0.068 0.000 2.579 132 R HA 0.473 4.812 4.340 -0.002 0.000 0.260 132 R C -1.521 174.893 176.300 0.191 0.000 1.103 132 R CA -0.713 55.458 56.100 0.118 0.000 0.942 132 R CB 0.481 30.866 30.300 0.142 0.000 1.251 132 R HN 0.495 nan 8.270 nan 0.000 0.450 133 I N -0.272 120.394 120.570 0.160 0.000 2.947 133 I HA 0.892 5.061 4.170 -0.002 0.000 0.314 133 I C -0.301 175.951 176.117 0.225 0.000 1.028 133 I CA -1.094 60.316 61.300 0.182 0.000 1.077 133 I CB 2.164 40.221 38.000 0.095 0.000 1.274 133 I HN 0.765 nan 8.210 nan 0.000 0.485 134 A N 2.972 125.951 122.820 0.265 0.000 2.340 134 A HA 0.789 5.107 4.320 -0.002 0.000 0.331 134 A C -1.305 176.493 177.584 0.358 0.000 1.140 134 A CA -0.373 51.831 52.037 0.278 0.000 0.801 134 A CB 0.973 20.020 19.000 0.079 0.000 1.234 134 A HN 0.678 nan 8.150 nan 0.000 0.469 135 F N 1.785 121.829 119.950 0.158 0.000 2.539 135 F HA 0.633 5.159 4.527 -0.002 0.000 0.318 135 F C -0.066 175.796 175.800 0.104 0.000 1.135 135 F CA -0.812 57.252 58.000 0.107 0.000 0.915 135 F CB 1.875 40.901 39.000 0.043 0.000 1.176 135 F HN 0.687 nan 8.300 nan 0.000 0.440 136 A N 5.976 128.393 122.820 -0.673 0.000 2.412 136 A HA 0.281 4.600 4.320 -0.002 0.000 0.334 136 A C 0.538 177.620 177.584 -0.836 0.000 1.419 136 A CA -0.464 51.250 52.037 -0.539 0.000 0.930 136 A CB -0.173 18.599 19.000 -0.379 0.000 1.149 136 A HN 1.036 nan 8.150 nan 0.000 0.515 137 N N 2.233 120.538 118.700 -0.660 0.000 2.083 137 N HA -0.075 4.663 4.740 -0.002 0.000 0.190 137 N C 0.438 175.734 175.510 -0.355 0.000 1.047 137 N CA 0.793 53.534 53.050 -0.515 0.000 0.845 137 N CB -0.082 38.305 38.487 -0.168 0.000 1.025 137 N HN 0.612 nan 8.380 nan 0.000 0.428 138 K N 1.390 121.625 120.400 -0.275 0.000 3.006 138 K HA 0.112 4.431 4.320 -0.002 0.000 0.265 138 K C 0.183 176.577 176.600 -0.343 0.000 1.279 138 K CA -0.239 55.883 56.287 -0.274 0.000 1.229 138 K CB 0.261 32.651 32.500 -0.183 0.000 1.555 138 K HN 0.305 nan 8.250 nan 0.000 0.300 139 M N 1.675 120.976 119.600 -0.497 0.000 2.740 139 M HA -0.077 4.402 4.480 -0.002 0.000 0.230 139 M C 0.460 176.425 176.300 -0.559 0.000 1.100 139 M CA 1.077 56.071 55.300 -0.509 0.000 1.047 139 M CB -0.666 31.590 32.600 -0.572 0.000 1.652 139 M HN 0.384 nan 8.290 nan 0.000 0.528 140 D N -1.572 118.539 120.400 -0.482 0.000 2.473 140 D HA 0.057 4.696 4.640 -0.002 0.000 0.242 140 D C 0.630 176.833 176.300 -0.161 0.000 1.106 140 D CA 0.059 53.871 54.000 -0.313 0.000 0.854 140 D CB 0.342 40.940 40.800 -0.336 0.000 1.192 140 D HN 0.132 nan 8.370 nan 0.000 0.503 141 K N 0.763 121.065 120.400 -0.163 0.000 2.144 141 K HA 0.291 4.610 4.320 -0.002 0.000 0.270 141 K C -0.305 176.247 176.600 -0.080 0.000 1.005 141 K CA -0.371 55.853 56.287 -0.104 0.000 0.932 141 K CB 0.845 33.282 32.500 -0.106 0.000 1.021 141 K HN -0.168 nan 8.250 nan 0.000 0.462 142 T N 1.835 116.359 114.554 -0.052 0.000 2.903 142 T HA 0.026 4.374 4.350 -0.002 0.000 0.299 142 T C 1.074 175.752 174.700 -0.037 0.000 1.041 142 T CA 1.588 63.668 62.100 -0.033 0.000 1.138 142 T CB 0.134 68.990 68.868 -0.021 0.000 1.040 142 T HN 0.900 nan 8.240 nan 0.000 0.524 143 G N 2.230 111.013 108.800 -0.029 0.000 2.205 143 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.261 143 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.261 143 G C 0.482 175.350 174.900 -0.052 0.000 0.980 143 G CA 0.086 45.169 45.100 -0.028 0.000 0.632 143 G HN 1.409 nan 8.290 nan 0.000 0.533 144 A N 0.562 123.338 122.820 -0.075 0.000 2.899 144 A HA 0.410 4.729 4.320 -0.002 0.000 0.290 144 A C 0.378 177.882 177.584 -0.132 0.000 1.768 144 A CA 1.406 53.372 52.037 -0.118 0.000 1.304 144 A CB -0.581 18.336 19.000 -0.138 0.000 0.990 144 A HN 0.672 nan 8.150 nan 0.000 0.596 145 D N 2.212 122.524 120.400 -0.146 0.000 2.464 145 D HA 0.360 4.998 4.640 -0.002 0.000 0.243 145 D C 0.928 177.026 176.300 -0.336 0.000 1.104 145 D CA -0.599 53.286 54.000 -0.192 0.000 0.883 145 D CB 0.396 41.149 40.800 -0.078 0.000 1.050 145 D HN 0.324 nan 8.370 nan 0.000 0.524 146 L N 3.889 124.764 121.223 -0.579 0.000 1.978 146 L HA -0.244 4.095 4.340 -0.002 0.000 0.235 146 L C 1.361 177.872 176.870 -0.598 0.000 1.094 146 L CA 1.949 56.343 54.840 -0.745 0.000 0.814 146 L CB -0.299 41.062 42.059 -1.164 0.000 0.911 146 L HN 0.643 nan 8.230 nan 0.000 0.442 147 W N -0.929 120.323 121.300 -0.080 0.000 2.280 147 W HA -0.361 4.297 4.660 -0.002 0.000 0.332 147 W C 2.325 178.802 176.519 -0.070 0.000 1.300 147 W CA 0.581 57.880 57.345 -0.077 0.000 1.274 147 W CB -1.248 28.188 29.460 -0.040 0.000 1.141 147 W HN 0.221 nan 8.180 nan 0.000 0.474 148 L N 0.519 121.799 121.223 0.095 0.000 2.151 148 L HA -0.302 4.036 4.340 -0.002 0.000 0.219 148 L C 2.212 179.072 176.870 -0.016 0.000 1.083 148 L CA 1.778 56.638 54.840 0.034 0.000 0.782 148 L CB -1.367 40.693 42.059 0.002 0.000 0.891 148 L HN -0.016 nan 8.230 nan 0.000 0.439 149 V N -0.756 119.108 119.914 -0.084 0.000 2.283 149 V HA -0.268 3.850 4.120 -0.002 0.000 0.243 149 V C 2.307 178.317 176.094 -0.140 0.000 1.039 149 V CA 1.974 64.192 62.300 -0.138 0.000 1.016 149 V CB -0.338 31.329 31.823 -0.259 0.000 0.650 149 V HN 0.381 nan 8.190 nan 0.000 0.449 150 I N -0.156 120.350 120.570 -0.106 0.000 2.361 150 I HA -0.226 3.942 4.170 -0.002 0.000 0.251 150 I C 2.375 178.472 176.117 -0.034 0.000 1.133 150 I CA 1.377 62.630 61.300 -0.078 0.000 1.413 150 I CB -0.499 37.500 38.000 -0.002 0.000 1.073 150 I HN 0.210 nan 8.210 nan 0.000 0.424 151 R N -0.205 120.301 120.500 0.010 0.000 2.357 151 R HA -0.066 4.272 4.340 -0.002 0.000 0.202 151 R C 1.816 178.109 176.300 -0.012 0.000 1.047 151 R CA 0.918 57.026 56.100 0.013 0.000 1.034 151 R CB -0.275 30.051 30.300 0.043 0.000 0.875 151 R HN 0.314 nan 8.270 nan 0.000 0.473 152 T N -0.630 113.901 114.554 -0.039 0.000 3.125 152 T HA 0.154 4.503 4.350 -0.002 0.000 0.252 152 T C 1.340 175.996 174.700 -0.074 0.000 0.981 152 T CA -0.197 61.881 62.100 -0.035 0.000 1.069 152 T CB 0.208 69.071 68.868 -0.008 0.000 1.091 152 T HN 0.023 nan 8.240 nan 0.000 0.460 153 M N 2.102 121.619 119.600 -0.138 0.000 2.706 153 M HA -0.080 4.398 4.480 -0.002 0.000 0.253 153 M C 1.722 177.895 176.300 -0.211 0.000 1.063 153 M CA 1.304 56.470 55.300 -0.223 0.000 1.067 153 M CB -0.036 32.351 32.600 -0.355 0.000 1.423 153 M HN 0.471 nan 8.290 nan 0.000 0.530 154 Q N -1.910 117.813 119.800 -0.129 0.000 2.171 154 Q HA 0.080 4.418 4.340 -0.002 0.000 0.250 154 Q C 1.333 177.299 176.000 -0.056 0.000 0.791 154 Q CA -0.049 55.698 55.803 -0.093 0.000 0.950 154 Q CB -0.019 28.680 28.738 -0.065 0.000 1.151 154 Q HN 0.469 nan 8.270 nan 0.000 0.480 155 E N 0.437 120.608 120.200 -0.048 0.000 2.340 155 E HA 0.036 4.385 4.350 -0.002 0.000 0.194 155 E C 1.491 178.081 176.600 -0.017 0.000 0.996 155 E CA 0.075 56.461 56.400 -0.024 0.000 0.869 155 E CB 0.529 30.220 29.700 -0.015 0.000 0.835 155 E HN 0.168 nan 8.360 nan 0.000 0.493 156 R N 0.449 120.933 120.500 -0.027 0.000 1.986 156 R HA 0.073 4.411 4.340 -0.002 0.000 0.208 156 R C 2.670 178.964 176.300 -0.009 0.000 1.376 156 R CA 0.811 56.906 56.100 -0.008 0.000 1.075 156 R CB -1.208 29.093 30.300 0.001 0.000 0.925 156 R HN 0.199 nan 8.270 nan 0.000 0.475 157 L N -1.691 119.498 121.223 -0.056 0.000 2.072 157 L HA 0.331 4.670 4.340 -0.002 0.000 0.205 157 L C 1.150 177.996 176.870 -0.041 0.000 1.079 157 L CA 1.401 56.208 54.840 -0.056 0.000 0.752 157 L CB -0.793 41.096 42.059 -0.283 0.000 0.906 157 L HN 0.500 nan 8.230 nan 0.000 0.436 158 G N 0.412 109.144 108.800 -0.114 0.000 2.203 158 G HA2 -0.092 3.867 3.960 -0.002 0.000 0.231 158 G HA3 -0.092 3.867 3.960 -0.002 0.000 0.231 158 G C 0.293 175.160 174.900 -0.055 0.000 1.058 158 G CA 0.098 45.159 45.100 -0.066 0.000 0.781 158 G HN 0.878 nan 8.290 nan 0.000 0.496 159 A N -0.342 122.361 122.820 -0.194 0.000 2.296 159 A HA 0.819 5.137 4.320 -0.002 0.000 0.276 159 A C 1.077 178.643 177.584 -0.029 0.000 1.356 159 A CA 0.567 52.550 52.037 -0.089 0.000 0.825 159 A CB 0.391 19.148 19.000 -0.405 0.000 1.308 159 A HN 1.025 nan 8.150 nan 0.000 0.515 160 R N 0.257 120.779 120.500 0.037 0.000 2.724 160 R HA 0.290 4.628 4.340 -0.002 0.000 0.284 160 R C -2.688 173.631 176.300 0.031 0.000 1.481 160 R CA -1.665 54.460 56.100 0.041 0.000 1.652 160 R CB 0.659 31.011 30.300 0.086 0.000 1.175 160 R HN 0.536 nan 8.270 nan 0.000 0.613 161 P HA 0.115 nan 4.420 nan 0.000 0.276 161 P C -0.804 176.481 177.300 -0.026 0.000 1.261 161 P CA -0.340 62.736 63.100 -0.041 0.000 0.800 161 P CB 1.614 33.248 31.700 -0.110 0.000 1.066 162 V N 1.057 120.942 119.914 -0.049 0.000 2.488 162 V HA 0.071 4.190 4.120 -0.002 0.000 0.293 162 V C 0.073 176.099 176.094 -0.113 0.000 1.027 162 V CA -0.861 61.406 62.300 -0.056 0.000 0.862 162 V CB 1.974 33.769 31.823 -0.048 0.000 1.008 162 V HN 0.250 nan 8.190 nan 0.000 0.428 163 V N 6.889 126.754 119.914 -0.081 0.000 2.509 163 V HA 0.007 4.125 4.120 -0.002 0.000 0.297 163 V C 1.073 177.061 176.094 -0.176 0.000 1.014 163 V CA 0.646 62.874 62.300 -0.120 0.000 1.127 163 V CB 0.398 32.160 31.823 -0.102 0.000 0.925 163 V HN 0.814 nan 8.190 nan 0.000 0.480 164 M N 3.340 122.750 119.600 -0.317 0.000 2.308 164 M HA 0.320 4.798 4.480 -0.002 0.000 0.269 164 M C 0.343 176.485 176.300 -0.263 0.000 1.040 164 M CA 0.496 55.543 55.300 -0.421 0.000 1.024 164 M CB 0.184 32.159 32.600 -1.041 0.000 1.465 164 M HN 0.745 nan 8.290 nan 0.000 0.517 165 Q N 0.535 120.232 119.800 -0.172 0.000 2.482 165 Q HA 0.685 5.024 4.340 -0.002 0.000 0.286 165 Q C -1.665 174.320 176.000 -0.025 0.000 1.007 165 Q CA -0.780 54.986 55.803 -0.062 0.000 0.801 165 Q CB 2.812 31.540 28.738 -0.016 0.000 1.455 165 Q HN 0.024 nan 8.270 nan 0.000 0.398 166 L N 1.913 123.141 121.223 0.008 0.000 2.446 166 L HA 0.457 4.796 4.340 -0.002 0.000 0.268 166 L C -2.494 174.340 176.870 -0.061 0.000 0.975 166 L CA -1.501 53.365 54.840 0.042 0.000 0.848 166 L CB 1.504 43.649 42.059 0.142 0.000 1.225 166 L HN 0.371 nan 8.230 nan 0.000 0.410 167 P HA 0.188 nan 4.420 nan 0.000 0.276 167 P C -0.401 176.781 177.300 -0.197 0.000 1.235 167 P CA -0.002 63.036 63.100 -0.103 0.000 0.772 167 P CB 1.148 32.894 31.700 0.077 0.000 0.871 168 I N 2.827 123.206 120.570 -0.319 0.000 2.301 168 I HA 0.351 4.520 4.170 -0.002 0.000 0.292 168 I C 0.888 176.994 176.117 -0.018 0.000 1.046 168 I CA 0.308 61.415 61.300 -0.322 0.000 1.282 168 I CB 0.056 37.865 38.000 -0.317 0.000 1.409 168 I HN 0.660 nan 8.210 nan 0.000 0.484 169 G N 5.137 114.070 108.800 0.223 0.000 2.897 169 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.436 169 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.436 169 G C -0.456 174.582 174.900 0.229 0.000 1.079 169 G CA -1.040 44.188 45.100 0.212 0.000 1.090 169 G HN 0.582 nan 8.290 nan 0.000 0.480 170 R N 2.002 122.629 120.500 0.211 0.000 2.449 170 R HA 0.477 4.815 4.340 -0.002 0.000 0.296 170 R C 1.473 177.852 176.300 0.131 0.000 1.047 170 R CA 0.579 56.777 56.100 0.162 0.000 1.018 170 R CB 0.418 30.791 30.300 0.122 0.000 0.962 170 R HN 1.021 nan 8.270 nan 0.000 0.428 171 E N 0.651 120.915 120.200 0.105 0.000 3.171 171 E HA -0.497 3.852 4.350 -0.002 0.000 0.412 171 E C 0.497 177.145 176.600 0.081 0.000 1.516 171 E CA 1.446 57.868 56.400 0.036 0.000 1.196 171 E CB -1.100 28.603 29.700 0.005 0.000 1.522 171 E HN 0.570 nan 8.360 nan 0.000 0.487 172 D N 1.257 121.696 120.400 0.064 0.000 2.182 172 D HA -0.087 4.552 4.640 -0.002 0.000 0.201 172 D C 1.576 177.945 176.300 0.115 0.000 0.986 172 D CA 2.681 56.724 54.000 0.072 0.000 0.847 172 D CB -0.171 40.660 40.800 0.052 0.000 0.942 172 D HN 0.519 nan 8.370 nan 0.000 0.467 173 T N -1.878 112.757 114.554 0.135 0.000 3.332 173 T HA 0.111 4.459 4.350 -0.002 0.000 0.246 173 T C 0.236 175.056 174.700 0.199 0.000 0.943 173 T CA -0.684 61.503 62.100 0.145 0.000 0.922 173 T CB -1.019 67.923 68.868 0.123 0.000 1.086 173 T HN -0.020 nan 8.240 nan 0.000 0.590 174 F N 3.630 123.613 119.950 0.055 0.000 2.487 174 F HA 0.364 4.889 4.527 -0.002 0.000 0.364 174 F C 1.255 177.114 175.800 0.099 0.000 1.126 174 F CA -0.684 57.354 58.000 0.064 0.000 1.135 174 F CB 0.468 39.489 39.000 0.035 0.000 1.127 174 F HN 0.399 nan 8.300 nan 0.000 0.559 175 S N 3.147 118.732 115.700 -0.191 0.000 3.049 175 S HA 0.671 5.140 4.470 -0.002 0.000 0.182 175 S C 0.799 175.287 174.600 -0.187 0.000 0.725 175 S CA 0.207 58.337 58.200 -0.116 0.000 0.811 175 S CB -0.373 62.795 63.200 -0.053 0.000 0.801 175 S HN 0.621 nan 8.310 nan 0.000 0.627 176 G N 0.544 109.187 108.800 -0.262 0.000 3.175 176 G HA2 0.790 4.748 3.960 -0.002 0.000 0.255 176 G HA3 0.790 4.748 3.960 -0.002 0.000 0.255 176 G C -1.200 173.539 174.900 -0.267 0.000 1.352 176 G CA -1.087 43.838 45.100 -0.291 0.000 1.037 176 G HN 0.534 nan 8.290 nan 0.000 0.556 177 I N -1.151 119.334 120.570 -0.141 0.000 3.095 177 I HA 0.481 4.649 4.170 -0.002 0.000 0.310 177 I C -1.526 174.610 176.117 0.032 0.000 1.196 177 I CA -0.814 60.454 61.300 -0.052 0.000 0.985 177 I CB 2.524 40.565 38.000 0.067 0.000 1.250 177 I HN 0.142 nan 8.210 nan 0.000 0.446 178 I N 1.923 122.504 120.570 0.018 0.000 2.545 178 I HA 0.302 4.470 4.170 -0.002 0.000 0.292 178 I C -0.848 175.320 176.117 0.085 0.000 1.040 178 I CA -0.169 61.168 61.300 0.061 0.000 1.068 178 I CB 1.682 39.675 38.000 -0.012 0.000 1.251 178 I HN 0.417 nan 8.210 nan 0.000 0.424 179 D N 4.892 125.375 120.400 0.138 0.000 2.373 179 D HA 0.304 4.942 4.640 -0.002 0.000 0.227 179 D C 1.059 177.396 176.300 0.062 0.000 1.091 179 D CA -0.462 53.604 54.000 0.111 0.000 0.840 179 D CB 1.295 42.206 40.800 0.185 0.000 1.060 179 D HN 0.303 nan 8.370 nan 0.000 0.502 180 V N 3.334 123.280 119.914 0.054 0.000 2.214 180 V HA -0.252 3.867 4.120 -0.002 0.000 0.247 180 V C 2.449 178.556 176.094 0.023 0.000 1.051 180 V CA 1.397 63.738 62.300 0.067 0.000 1.003 180 V CB -1.353 30.589 31.823 0.199 0.000 0.635 180 V HN 0.567 nan 8.190 nan 0.000 0.447 181 L N 0.681 122.031 121.223 0.213 0.000 2.054 181 L HA -0.259 4.079 4.340 -0.002 0.000 0.220 181 L C 2.585 179.524 176.870 0.115 0.000 1.081 181 L CA 2.459 57.465 54.840 0.276 0.000 0.780 181 L CB -0.485 41.713 42.059 0.231 0.000 0.893 181 L HN 0.389 nan 8.230 nan 0.000 0.438 182 R N -1.605 118.922 120.500 0.046 0.000 2.509 182 R HA 0.213 4.551 4.340 -0.002 0.000 0.300 182 R C 0.373 176.643 176.300 -0.049 0.000 0.985 182 R CA -0.171 55.946 56.100 0.028 0.000 1.092 182 R CB 0.301 30.669 30.300 0.112 0.000 1.237 182 R HN 0.198 nan 8.270 nan 0.000 0.546 183 M N 1.308 120.807 119.600 -0.168 0.000 2.164 183 M HA -0.272 4.207 4.480 -0.002 0.000 0.196 183 M C -0.650 175.598 176.300 -0.087 0.000 0.270 183 M CA 1.574 56.774 55.300 -0.167 0.000 0.373 183 M CB -1.743 30.703 32.600 -0.257 0.000 1.089 183 M HN 0.147 nan 8.290 nan 0.000 0.940 184 K N -0.398 119.969 120.400 -0.055 0.000 2.281 184 K HA 0.815 5.133 4.320 -0.002 0.000 0.242 184 K C -0.126 176.391 176.600 -0.140 0.000 0.971 184 K CA -0.478 55.728 56.287 -0.136 0.000 0.834 184 K CB 2.142 34.504 32.500 -0.230 0.000 1.181 184 K HN 0.244 nan 8.250 nan 0.000 0.435 185 A N 1.942 124.617 122.820 -0.242 0.000 2.350 185 A HA 0.676 4.994 4.320 -0.002 0.000 0.324 185 A C -1.536 175.848 177.584 -0.333 0.000 1.118 185 A CA -0.521 51.418 52.037 -0.162 0.000 0.783 185 A CB 0.464 19.393 19.000 -0.118 0.000 1.236 185 A HN 0.648 nan 8.150 nan 0.000 0.457 186 Y N -0.331 119.868 120.300 -0.168 0.000 2.630 186 Y HA 0.797 5.345 4.550 -0.002 0.000 0.337 186 Y C 0.737 176.394 175.900 -0.406 0.000 1.051 186 Y CA -0.364 57.580 58.100 -0.260 0.000 1.121 186 Y CB 2.585 40.880 38.460 -0.275 0.000 1.299 186 Y HN 0.731 nan 8.280 nan 0.000 0.498 187 T N -0.281 114.046 114.554 -0.377 0.000 2.843 187 T HA 0.635 4.984 4.350 -0.002 0.000 0.302 187 T C -2.364 171.904 174.700 -0.720 0.000 1.232 187 T CA -0.665 61.150 62.100 -0.476 0.000 1.009 187 T CB 0.816 69.566 68.868 -0.197 0.000 1.254 187 T HN 0.397 nan 8.240 nan 0.000 0.504 188 Y N 0.588 120.883 120.300 -0.008 0.000 2.331 188 Y HA 0.530 5.079 4.550 -0.002 0.000 0.326 188 Y C 0.934 176.848 175.900 0.023 0.000 1.020 188 Y CA -0.895 57.216 58.100 0.019 0.000 1.136 188 Y CB 2.074 40.551 38.460 0.029 0.000 1.157 188 Y HN 0.788 nan 8.280 nan 0.000 0.444 189 G N 1.687 110.577 108.800 0.151 0.000 2.939 189 G HA2 0.098 4.057 3.960 -0.002 0.000 0.210 189 G HA3 0.098 4.057 3.960 -0.002 0.000 0.210 189 G C 0.122 175.090 174.900 0.113 0.000 1.160 189 G CA 0.352 45.514 45.100 0.104 0.000 0.770 189 G HN 0.649 nan 8.290 nan 0.000 0.543 190 N N -0.769 118.017 118.700 0.142 0.000 3.439 190 N HA 0.292 5.030 4.740 -0.002 0.000 0.313 190 N C -0.733 174.850 175.510 0.122 0.000 1.598 190 N CA -0.285 52.834 53.050 0.116 0.000 0.830 190 N CB 0.554 39.097 38.487 0.094 0.000 1.849 190 N HN -0.085 nan 8.380 nan 0.000 0.598 191 D N -1.330 119.123 120.400 0.088 0.000 2.556 191 D HA 0.085 4.723 4.640 -0.002 0.000 0.237 191 D C 0.229 176.556 176.300 0.045 0.000 1.296 191 D CA -0.233 53.808 54.000 0.067 0.000 0.807 191 D CB 0.225 41.057 40.800 0.053 0.000 1.084 191 D HN 0.274 nan 8.370 nan 0.000 0.510 192 L N 1.350 122.607 121.223 0.057 0.000 2.509 192 L HA 0.252 4.590 4.340 -0.002 0.000 0.222 192 L C 0.798 177.710 176.870 0.071 0.000 1.123 192 L CA 1.792 56.659 54.840 0.046 0.000 0.856 192 L CB -0.780 41.313 42.059 0.058 0.000 0.985 192 L HN 0.356 nan 8.230 nan 0.000 0.456 193 G N 0.168 109.032 108.800 0.107 0.000 2.638 193 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.269 193 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.269 193 G C 0.424 175.425 174.900 0.169 0.000 1.141 193 G CA 0.631 45.825 45.100 0.157 0.000 1.081 193 G HN 0.439 nan 8.290 nan 0.000 0.527 194 T N -3.691 110.947 114.554 0.139 0.000 3.560 194 T HA 0.254 4.603 4.350 -0.002 0.000 0.217 194 T C 0.567 175.335 174.700 0.113 0.000 0.934 194 T CA 0.688 62.863 62.100 0.125 0.000 1.074 194 T CB 0.292 69.229 68.868 0.116 0.000 1.156 194 T HN 0.240 nan 8.240 nan 0.000 0.342 195 D N 3.017 123.484 120.400 0.112 0.000 2.541 195 D HA 0.176 4.815 4.640 -0.002 0.000 0.231 195 D C 0.788 177.158 176.300 0.117 0.000 1.163 195 D CA -0.075 53.984 54.000 0.098 0.000 1.077 195 D CB -0.187 40.662 40.800 0.082 0.000 1.110 195 D HN 0.618 nan 8.370 nan 0.000 0.499 196 I N -0.291 120.347 120.570 0.112 0.000 5.599 196 I HA 0.624 4.793 4.170 -0.002 0.000 0.171 196 I C 0.014 176.135 176.117 0.008 0.000 1.386 196 I CA -0.921 60.439 61.300 0.099 0.000 1.481 196 I CB 0.389 38.483 38.000 0.157 0.000 1.613 196 I HN -0.006 nan 8.210 nan 0.000 0.683 197 R N 0.125 120.629 120.500 0.007 0.000 5.807 197 R HA 0.001 4.340 4.340 -0.002 0.000 0.220 197 R C -1.712 174.568 176.300 -0.033 0.000 0.894 197 R CA 0.111 56.206 56.100 -0.009 0.000 1.280 197 R CB -0.409 29.870 30.300 -0.035 0.000 1.336 197 R HN 0.902 nan 8.270 nan 0.000 0.675 198 E N 2.931 123.071 120.200 -0.100 0.000 2.731 198 E HA 0.390 4.739 4.350 -0.002 0.000 0.220 198 E C -0.278 176.176 176.600 -0.244 0.000 1.087 198 E CA -0.704 55.508 56.400 -0.314 0.000 1.020 198 E CB -0.006 29.438 29.700 -0.426 0.000 1.339 198 E HN 0.431 nan 8.360 nan 0.000 0.444 199 I N -0.850 119.608 120.570 -0.187 0.000 2.371 199 I HA 0.368 4.537 4.170 -0.002 0.000 0.290 199 I C -2.118 173.916 176.117 -0.139 0.000 1.028 199 I CA -2.752 58.470 61.300 -0.131 0.000 1.345 199 I CB 0.017 37.963 38.000 -0.091 0.000 1.407 199 I HN 0.120 nan 8.210 nan 0.000 0.501 200 P HA -0.067 nan 4.420 nan 0.000 0.271 200 P C -0.082 177.179 177.300 -0.064 0.000 1.212 200 P CA 0.035 63.079 63.100 -0.094 0.000 0.788 200 P CB 0.339 32.000 31.700 -0.065 0.000 0.865 201 I N 2.175 122.718 120.570 -0.046 0.000 2.826 201 I HA -0.051 4.118 4.170 -0.002 0.000 0.295 201 I C -1.330 174.800 176.117 0.022 0.000 1.213 201 I CA -0.441 60.854 61.300 -0.007 0.000 1.436 201 I CB -1.077 36.934 38.000 0.018 0.000 1.348 201 I HN 0.277 nan 8.210 nan 0.000 0.570 202 P HA 0.155 nan 4.420 nan 0.000 0.286 202 P C 0.296 177.653 177.300 0.096 0.000 1.321 202 P CA -0.246 62.899 63.100 0.074 0.000 0.790 202 P CB 1.546 33.306 31.700 0.100 0.000 0.897 203 E N 3.551 123.783 120.200 0.053 0.000 3.549 203 E HA -0.369 3.980 4.350 -0.002 0.000 0.447 203 E C 1.431 178.060 176.600 0.048 0.000 1.471 203 E CA 2.658 59.081 56.400 0.039 0.000 1.397 203 E CB -1.016 28.699 29.700 0.025 0.000 1.307 203 E HN 0.673 nan 8.360 nan 0.000 0.346 204 E N -0.084 120.133 120.200 0.028 0.000 1.891 204 E HA -0.294 4.055 4.350 -0.002 0.000 0.221 204 E C 1.857 178.488 176.600 0.051 0.000 0.927 204 E CA 1.590 57.986 56.400 -0.006 0.000 0.909 204 E CB -1.345 28.290 29.700 -0.108 0.000 0.807 204 E HN 0.539 nan 8.360 nan 0.000 0.591 205 Y N 1.003 121.324 120.300 0.035 0.000 1.876 205 Y HA -0.409 4.139 4.550 -0.002 0.000 0.137 205 Y C 2.707 178.635 175.900 0.046 0.000 1.030 205 Y CA 2.195 60.325 58.100 0.050 0.000 0.680 205 Y CB -1.801 36.693 38.460 0.055 0.000 0.584 205 Y HN 0.401 nan 8.280 nan 0.000 0.664 206 L N -0.278 121.087 121.223 0.237 0.000 3.210 206 L HA -0.503 3.836 4.340 -0.002 0.000 0.221 206 L C 2.094 179.031 176.870 0.112 0.000 3.867 206 L CA 3.002 57.921 54.840 0.132 0.000 0.726 206 L CB -1.762 40.348 42.059 0.084 0.000 2.988 206 L HN 0.650 nan 8.230 nan 0.000 0.412 207 D N -1.052 119.395 120.400 0.077 0.000 2.192 207 D HA -0.348 4.291 4.640 -0.002 0.000 0.189 207 D C 1.984 178.316 176.300 0.053 0.000 1.007 207 D CA 2.389 56.417 54.000 0.046 0.000 0.859 207 D CB -0.373 40.439 40.800 0.019 0.000 0.936 207 D HN 0.748 nan 8.370 nan 0.000 0.447 208 Q N 0.251 120.108 119.800 0.095 0.000 2.156 208 Q HA -0.256 4.083 4.340 -0.002 0.000 0.211 208 Q C 1.841 177.938 176.000 0.162 0.000 0.995 208 Q CA 2.279 58.160 55.803 0.129 0.000 0.877 208 Q CB -0.248 28.648 28.738 0.263 0.000 0.920 208 Q HN 0.359 nan 8.270 nan 0.000 0.416 209 A N 0.862 123.801 122.820 0.198 0.000 2.404 209 A HA -0.249 4.070 4.320 -0.002 0.000 0.189 209 A C 1.323 179.008 177.584 0.170 0.000 1.145 209 A CA 1.557 53.727 52.037 0.220 0.000 0.839 209 A CB -0.730 18.358 19.000 0.146 0.000 0.848 209 A HN 0.552 nan 8.150 nan 0.000 0.545 210 R N -0.338 120.249 120.500 0.145 0.000 3.326 210 R HA -0.362 3.977 4.340 -0.002 0.000 0.498 210 R C 1.802 178.158 176.300 0.093 0.000 0.551 210 R CA 2.660 58.838 56.100 0.130 0.000 0.262 210 R CB -2.012 28.327 30.300 0.064 0.000 0.586 210 R HN 0.949 nan 8.270 nan 0.000 0.234 211 E N -0.099 120.074 120.200 -0.046 0.000 2.113 211 E HA -0.277 4.072 4.350 -0.002 0.000 0.210 211 E C 2.044 178.561 176.600 -0.138 0.000 1.040 211 E CA 2.400 58.707 56.400 -0.155 0.000 0.847 211 E CB -0.702 28.801 29.700 -0.329 0.000 0.755 211 E HN 0.657 nan 8.360 nan 0.000 0.459 212 Y N -0.092 120.229 120.300 0.035 0.000 2.509 212 Y HA -0.034 4.514 4.550 -0.002 0.000 0.293 212 Y C 2.240 178.178 175.900 0.064 0.000 1.133 212 Y CA 1.257 59.374 58.100 0.029 0.000 1.283 212 Y CB -0.430 38.050 38.460 0.032 0.000 1.001 212 Y HN 0.327 nan 8.280 nan 0.000 0.555 213 H N -0.041 119.112 119.070 0.137 0.000 2.548 213 H HA 0.061 4.615 4.556 -0.002 0.000 0.265 213 H C 1.402 176.771 175.328 0.069 0.000 0.969 213 H CA 0.843 56.951 56.048 0.100 0.000 1.155 213 H CB 0.354 30.171 29.762 0.092 0.000 1.394 213 H HN 0.151 nan 8.280 nan 0.000 0.570 214 E N 0.680 120.808 120.200 -0.119 0.000 2.099 214 E HA -0.019 4.330 4.350 -0.002 0.000 0.191 214 E C 1.843 178.365 176.600 -0.130 0.000 0.962 214 E CA 0.414 56.750 56.400 -0.106 0.000 0.826 214 E CB -0.023 29.709 29.700 0.053 0.000 0.788 214 E HN 0.429 nan 8.360 nan 0.000 0.461 215 K N 1.512 121.877 120.400 -0.058 0.000 2.063 215 K HA -0.087 4.232 4.320 -0.002 0.000 0.208 215 K C 2.346 178.902 176.600 -0.075 0.000 1.048 215 K CA 0.908 57.165 56.287 -0.049 0.000 0.928 215 K CB -0.258 32.255 32.500 0.021 0.000 0.713 215 K HN 0.034 nan 8.250 nan 0.000 0.442 216 L N 1.086 122.280 121.223 -0.049 0.000 1.990 216 L HA -0.247 4.092 4.340 -0.002 0.000 0.213 216 L C 2.093 178.903 176.870 -0.100 0.000 1.072 216 L CA 1.595 56.413 54.840 -0.037 0.000 0.755 216 L CB -0.235 41.836 42.059 0.020 0.000 0.889 216 L HN 0.012 nan 8.230 nan 0.000 0.432 217 V N -0.186 119.600 119.914 -0.212 0.000 2.515 217 V HA -0.227 3.891 4.120 -0.002 0.000 0.250 217 V C 2.548 178.400 176.094 -0.403 0.000 1.058 217 V CA 1.904 64.038 62.300 -0.277 0.000 1.064 217 V CB -0.742 30.870 31.823 -0.353 0.000 0.675 217 V HN 0.552 nan 8.190 nan 0.000 0.461 218 E N 0.397 120.314 120.200 -0.472 0.000 2.150 218 E HA -0.147 4.202 4.350 -0.002 0.000 0.193 218 E C 2.138 178.604 176.600 -0.224 0.000 0.985 218 E CA 1.181 57.291 56.400 -0.483 0.000 0.814 218 E CB 0.159 29.667 29.700 -0.321 0.000 0.752 218 E HN 0.461 nan 8.360 nan 0.000 0.466 219 V N 1.274 121.110 119.914 -0.130 0.000 2.302 219 V HA -0.146 3.972 4.120 -0.002 0.000 0.243 219 V C 2.542 178.647 176.094 0.019 0.000 1.036 219 V CA 1.617 63.893 62.300 -0.040 0.000 1.020 219 V CB -0.813 31.021 31.823 0.019 0.000 0.657 219 V HN 0.351 nan 8.190 nan 0.000 0.453 220 A N -0.012 122.843 122.820 0.058 0.000 2.186 220 A HA -0.086 4.233 4.320 -0.002 0.000 0.219 220 A C 2.284 179.934 177.584 0.110 0.000 1.159 220 A CA 1.722 53.867 52.037 0.181 0.000 0.680 220 A CB -0.609 18.449 19.000 0.097 0.000 0.787 220 A HN 0.584 nan 8.150 nan 0.000 0.467 221 A N 0.086 122.882 122.820 -0.040 0.000 1.969 221 A HA -0.140 4.179 4.320 -0.002 0.000 0.218 221 A C 1.507 179.043 177.584 -0.080 0.000 1.169 221 A CA 1.390 53.386 52.037 -0.068 0.000 0.635 221 A CB -0.374 18.540 19.000 -0.144 0.000 0.810 221 A HN 0.531 nan 8.150 nan 0.000 0.445 222 D N -1.708 118.580 120.400 -0.186 0.000 2.371 222 D HA 0.029 4.668 4.640 -0.002 0.000 0.234 222 D C 0.424 176.380 176.300 -0.574 0.000 1.049 222 D CA 0.743 54.516 54.000 -0.378 0.000 0.907 222 D CB -0.015 40.487 40.800 -0.496 0.000 0.891 222 D HN 0.538 nan 8.370 nan 0.000 0.531 223 F N 0.219 120.169 119.950 -0.001 0.000 2.347 223 F HA 0.150 4.676 4.527 -0.002 0.000 0.266 223 F C 0.703 176.510 175.800 0.012 0.000 0.884 223 F CA -0.196 57.810 58.000 0.010 0.000 1.123 223 F CB 0.451 39.462 39.000 0.018 0.000 1.098 223 F HN -0.322 nan 8.300 nan 0.000 0.803 224 D N 1.512 122.035 120.400 0.206 0.000 2.349 224 D HA 0.139 4.777 4.640 -0.002 0.000 0.232 224 D C 1.037 177.379 176.300 0.070 0.000 1.071 224 D CA 0.061 54.132 54.000 0.119 0.000 0.832 224 D CB 1.266 42.129 40.800 0.106 0.000 1.086 224 D HN 0.352 nan 8.370 nan 0.000 0.504 225 E N 2.312 122.546 120.200 0.055 0.000 2.204 225 E HA -0.200 4.149 4.350 -0.002 0.000 0.194 225 E C 0.680 177.307 176.600 0.044 0.000 0.989 225 E CA 0.778 57.202 56.400 0.039 0.000 0.824 225 E CB -0.008 29.711 29.700 0.032 0.000 0.756 225 E HN 0.212 nan 8.360 nan 0.000 0.477 226 N N 1.155 119.884 118.700 0.049 0.000 2.149 226 N HA -0.065 4.674 4.740 -0.002 0.000 0.188 226 N C 1.639 177.182 175.510 0.056 0.000 1.019 226 N CA 1.235 54.314 53.050 0.049 0.000 0.857 226 N CB -0.152 38.364 38.487 0.048 0.000 0.997 226 N HN 0.251 nan 8.380 nan 0.000 0.426 227 I N 0.155 120.756 120.570 0.053 0.000 3.735 227 I HA 0.021 4.189 4.170 -0.002 0.000 0.310 227 I C 1.649 177.788 176.117 0.037 0.000 1.270 227 I CA 0.152 61.478 61.300 0.044 0.000 1.207 227 I CB -0.095 37.924 38.000 0.030 0.000 1.013 227 I HN 0.275 nan 8.210 nan 0.000 0.452 228 M N 0.158 119.794 119.600 0.060 0.000 2.906 228 M HA 0.057 4.536 4.480 -0.002 0.000 0.252 228 M C 1.808 178.192 176.300 0.139 0.000 1.359 228 M CA 1.147 56.498 55.300 0.086 0.000 1.239 228 M CB 0.164 32.792 32.600 0.046 0.000 1.229 228 M HN 0.087 nan 8.290 nan 0.000 0.547 229 L N 1.120 122.396 121.223 0.089 0.000 1.976 229 L HA -0.194 4.144 4.340 -0.002 0.000 0.209 229 L C 2.426 179.347 176.870 0.084 0.000 1.071 229 L CA 1.625 56.507 54.840 0.071 0.000 0.746 229 L CB -1.028 41.060 42.059 0.048 0.000 0.890 229 L HN 0.344 nan 8.230 nan 0.000 0.432 230 K N -0.930 119.522 120.400 0.086 0.000 2.293 230 K HA -0.265 4.053 4.320 -0.002 0.000 0.204 230 K C 2.027 178.711 176.600 0.139 0.000 1.045 230 K CA 1.579 57.920 56.287 0.091 0.000 0.933 230 K CB -0.302 32.249 32.500 0.086 0.000 0.736 230 K HN 0.223 nan 8.250 nan 0.000 0.463 231 Y N 1.338 121.639 120.300 0.002 0.000 2.153 231 Y HA -0.148 4.401 4.550 -0.002 0.000 0.289 231 Y C 1.855 177.750 175.900 -0.007 0.000 1.127 231 Y CA 1.074 59.170 58.100 -0.006 0.000 1.131 231 Y CB -0.261 38.193 38.460 -0.011 0.000 0.995 231 Y HN -0.110 nan 8.280 nan 0.000 0.505 232 L N 0.361 121.593 121.223 0.016 0.000 2.187 232 L HA -0.211 4.128 4.340 -0.002 0.000 0.213 232 L C 1.975 178.801 176.870 -0.074 0.000 1.100 232 L CA 1.953 56.749 54.840 -0.073 0.000 0.765 232 L CB -1.065 40.991 42.059 -0.005 0.000 0.904 232 L HN 0.439 nan 8.230 nan 0.000 0.437 233 E N -0.990 119.191 120.200 -0.033 0.000 2.190 233 E HA 0.070 4.418 4.350 -0.002 0.000 0.191 233 E C 1.418 177.995 176.600 -0.038 0.000 0.978 233 E CA 0.664 57.050 56.400 -0.024 0.000 0.839 233 E CB 0.227 29.927 29.700 0.001 0.000 0.787 233 E HN 0.532 nan 8.360 nan 0.000 0.473 234 G N 1.796 110.570 108.800 -0.043 0.000 2.198 234 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.156 234 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.156 234 G C -0.139 174.760 174.900 -0.002 0.000 1.012 234 G CA -0.079 44.994 45.100 -0.045 0.000 0.692 234 G HN 0.198 nan 8.290 nan 0.000 0.492 235 E N 0.956 121.170 120.200 0.023 0.000 2.214 235 E HA 0.546 4.894 4.350 -0.002 0.000 0.274 235 E C 0.175 176.819 176.600 0.073 0.000 0.977 235 E CA -0.619 55.806 56.400 0.042 0.000 0.827 235 E CB 0.693 30.417 29.700 0.039 0.000 1.130 235 E HN 0.473 nan 8.360 nan 0.000 0.394 236 E N 3.465 123.712 120.200 0.077 0.000 2.174 236 E HA 0.394 4.743 4.350 -0.002 0.000 0.282 236 E C -2.421 174.233 176.600 0.090 0.000 0.992 236 E CA -2.165 54.295 56.400 0.101 0.000 0.803 236 E CB 0.951 30.714 29.700 0.105 0.000 1.090 236 E HN 0.180 nan 8.360 nan 0.000 0.396 237 P HA -0.058 nan 4.420 nan 0.000 0.265 237 P C -0.401 176.946 177.300 0.078 0.000 1.187 237 P CA -0.042 63.103 63.100 0.075 0.000 0.766 237 P CB 0.685 32.421 31.700 0.060 0.000 0.820 238 T N 1.205 115.799 114.554 0.067 0.000 2.919 238 T HA -0.014 4.334 4.350 -0.002 0.000 0.302 238 T C 1.275 176.018 174.700 0.072 0.000 1.031 238 T CA -0.188 61.950 62.100 0.064 0.000 1.127 238 T CB 0.101 68.999 68.868 0.050 0.000 0.952 238 T HN 0.508 nan 8.240 nan 0.000 0.540 239 E N 2.133 122.377 120.200 0.075 0.000 2.455 239 E HA -0.142 4.207 4.350 -0.002 0.000 0.202 239 E C 1.035 177.676 176.600 0.068 0.000 1.045 239 E CA 0.973 57.423 56.400 0.083 0.000 0.872 239 E CB 0.247 29.993 29.700 0.076 0.000 0.792 239 E HN 0.631 nan 8.360 nan 0.000 0.542 240 E N 0.208 120.440 120.200 0.055 0.000 2.290 240 E HA -0.108 4.241 4.350 -0.002 0.000 0.197 240 E C 1.648 178.274 176.600 0.044 0.000 0.948 240 E CA 0.719 57.143 56.400 0.041 0.000 0.895 240 E CB -0.234 29.485 29.700 0.031 0.000 0.865 240 E HN 0.587 nan 8.360 nan 0.000 0.486 241 E N 1.122 121.353 120.200 0.051 0.000 2.318 241 E HA 0.057 4.406 4.350 -0.002 0.000 0.193 241 E C 2.200 178.840 176.600 0.067 0.000 0.998 241 E CA 0.129 56.561 56.400 0.053 0.000 0.859 241 E CB -0.117 29.614 29.700 0.051 0.000 0.812 241 E HN 0.095 nan 8.360 nan 0.000 0.492 242 L N 0.888 122.158 121.223 0.078 0.000 2.095 242 L HA -0.081 4.258 4.340 -0.002 0.000 0.204 242 L C 2.398 179.342 176.870 0.123 0.000 1.080 242 L CA 0.566 55.463 54.840 0.094 0.000 0.759 242 L CB -0.004 42.119 42.059 0.106 0.000 0.914 242 L HN 0.090 nan 8.230 nan 0.000 0.439 243 V N 0.317 120.304 119.914 0.122 0.000 2.255 243 V HA -0.344 3.775 4.120 -0.002 0.000 0.247 243 V C 2.783 178.946 176.094 0.114 0.000 1.051 243 V CA 1.867 64.250 62.300 0.139 0.000 1.018 243 V CB -0.852 30.988 31.823 0.027 0.000 0.641 243 V HN 0.578 nan 8.190 nan 0.000 0.445 244 A N -0.340 122.518 122.820 0.063 0.000 1.986 244 A HA -0.219 4.100 4.320 -0.002 0.000 0.220 244 A C 2.374 179.976 177.584 0.030 0.000 1.171 244 A CA 2.409 54.469 52.037 0.039 0.000 0.640 244 A CB -0.734 18.287 19.000 0.035 0.000 0.811 244 A HN 0.627 nan 8.150 nan 0.000 0.451 245 A N 0.169 123.023 122.820 0.056 0.000 1.841 245 A HA -0.018 4.301 4.320 -0.002 0.000 0.214 245 A C 2.015 179.546 177.584 -0.089 0.000 1.195 245 A CA 1.552 53.618 52.037 0.048 0.000 0.611 245 A CB -0.542 18.538 19.000 0.133 0.000 0.835 245 A HN 0.390 nan 8.150 nan 0.000 0.443 246 I N -0.057 120.537 120.570 0.040 0.000 2.091 246 I HA -0.256 3.913 4.170 -0.002 0.000 0.239 246 I C 2.585 178.696 176.117 -0.009 0.000 1.061 246 I CA 2.092 63.409 61.300 0.029 0.000 1.317 246 I CB -1.461 36.650 38.000 0.184 0.000 1.031 246 I HN 0.459 nan 8.210 nan 0.000 0.401 247 R N 1.258 121.858 120.500 0.166 0.000 2.080 247 R HA -0.218 4.121 4.340 -0.002 0.000 0.236 247 R C 2.363 178.616 176.300 -0.078 0.000 1.137 247 R CA 1.941 58.111 56.100 0.117 0.000 0.943 247 R CB -0.311 30.048 30.300 0.098 0.000 0.846 247 R HN 0.238 nan 8.270 nan 0.000 0.431 248 K N -0.406 119.908 120.400 -0.143 0.000 2.360 248 K HA -0.090 4.228 4.320 -0.002 0.000 0.201 248 K C 1.584 177.880 176.600 -0.506 0.000 1.046 248 K CA 1.449 57.610 56.287 -0.209 0.000 0.945 248 K CB -0.049 32.379 32.500 -0.120 0.000 0.750 248 K HN 0.404 nan 8.250 nan 0.000 0.464 249 G N -0.159 108.101 108.800 -0.900 0.000 2.441 249 G HA2 -0.113 3.845 3.960 -0.002 0.000 0.212 249 G HA3 -0.113 3.845 3.960 -0.002 0.000 0.212 249 G C 1.324 175.926 174.900 -0.498 0.000 1.164 249 G CA 0.558 44.674 45.100 -1.640 0.000 0.811 249 G HN 0.271 nan 8.290 nan 0.000 0.535 250 T N 2.250 116.651 114.554 -0.256 0.000 2.569 250 T HA -0.155 4.193 4.350 -0.002 0.000 0.263 250 T C 2.325 177.001 174.700 -0.041 0.000 1.074 250 T CA 1.370 63.433 62.100 -0.061 0.000 1.176 250 T CB -0.435 68.437 68.868 0.006 0.000 0.863 250 T HN 0.237 nan 8.240 nan 0.000 0.410 251 I N 1.947 122.487 120.570 -0.050 0.000 2.440 251 I HA -0.285 3.884 4.170 -0.002 0.000 0.262 251 I C 1.341 177.436 176.117 -0.037 0.000 1.117 251 I CA 1.378 62.655 61.300 -0.038 0.000 1.413 251 I CB -0.734 37.241 38.000 -0.042 0.000 1.093 251 I HN 0.259 nan 8.210 nan 0.000 0.452 252 D N 0.277 120.659 120.400 -0.029 0.000 2.349 252 D HA 0.245 4.883 4.640 -0.002 0.000 0.214 252 D C 0.600 176.914 176.300 0.023 0.000 1.063 252 D CA -0.012 53.994 54.000 0.010 0.000 0.847 252 D CB 0.224 41.062 40.800 0.064 0.000 0.933 252 D HN 0.083 nan 8.370 nan 0.000 0.513 253 L N 0.204 121.438 121.223 0.018 0.000 3.512 253 L HA -0.220 4.119 4.340 -0.002 0.000 0.446 253 L C 1.004 177.942 176.870 0.114 0.000 1.290 253 L CA 0.472 55.330 54.840 0.031 0.000 0.871 253 L CB -1.275 40.757 42.059 -0.045 0.000 1.767 253 L HN 0.021 nan 8.230 nan 0.000 0.855 254 K N -0.615 119.885 120.400 0.168 0.000 2.344 254 K HA 0.466 4.785 4.320 -0.002 0.000 0.200 254 K C 0.811 177.562 176.600 0.251 0.000 1.132 254 K CA 0.387 56.818 56.287 0.240 0.000 0.935 254 K CB 1.256 33.994 32.500 0.396 0.000 1.089 254 K HN 0.452 nan 8.250 nan 0.000 0.496 255 I N 0.982 121.692 120.570 0.233 0.000 2.846 255 I HA 0.302 4.471 4.170 -0.002 0.000 0.307 255 I C -1.327 174.883 176.117 0.155 0.000 1.053 255 I CA -0.468 60.947 61.300 0.191 0.000 1.050 255 I CB 2.576 40.702 38.000 0.210 0.000 1.239 255 I HN -0.067 nan 8.210 nan 0.000 0.439 256 T N 5.565 120.189 114.554 0.117 0.000 3.103 256 T HA 0.317 4.665 4.350 -0.002 0.000 0.352 256 T C -2.637 172.105 174.700 0.071 0.000 1.048 256 T CA -0.768 61.413 62.100 0.134 0.000 1.175 256 T CB 1.057 70.035 68.868 0.182 0.000 1.029 256 T HN 0.354 nan 8.240 nan 0.000 0.498 257 P HA 0.079 nan 4.420 nan 0.000 0.255 257 P C -0.448 176.953 177.300 0.168 0.000 1.173 257 P CA 0.022 63.133 63.100 0.019 0.000 0.780 257 P CB 0.279 32.014 31.700 0.059 0.000 0.758 258 V N 5.925 125.793 119.914 -0.076 0.000 2.427 258 V HA 0.414 4.532 4.120 -0.002 0.000 0.286 258 V C 0.244 176.285 176.094 -0.087 0.000 1.034 258 V CA 0.081 62.399 62.300 0.031 0.000 0.893 258 V CB 0.385 32.146 31.823 -0.103 0.000 0.982 258 V HN 0.356 nan 8.190 nan 0.000 0.452 259 F N 4.370 124.333 119.950 0.022 0.000 2.900 259 F HA 0.834 5.360 4.527 -0.002 0.000 0.375 259 F C -0.011 175.810 175.800 0.035 0.000 1.258 259 F CA -0.894 57.150 58.000 0.074 0.000 1.094 259 F CB 1.005 40.116 39.000 0.185 0.000 1.505 259 F HN 0.300 nan 8.300 nan 0.000 0.510 260 L N -1.211 120.230 121.223 0.363 0.000 3.041 260 L HA 0.910 5.248 4.340 -0.002 0.000 0.278 260 L C -0.967 176.027 176.870 0.206 0.000 1.051 260 L CA -0.808 54.040 54.840 0.014 0.000 0.957 260 L CB 1.239 43.255 42.059 -0.072 0.000 1.538 260 L HN 1.014 nan 8.230 nan 0.000 0.393 261 G N 0.042 108.812 108.800 -0.050 0.000 2.634 261 G HA2 0.201 4.160 3.960 -0.002 0.000 0.568 261 G HA3 0.201 4.160 3.960 -0.002 0.000 0.568 261 G C -0.813 174.043 174.900 -0.073 0.000 1.495 261 G CA -0.104 45.070 45.100 0.122 0.000 0.903 261 G HN 1.048 nan 8.290 nan 0.000 0.646 262 S N 0.863 116.393 115.700 -0.283 0.000 2.506 262 S HA 0.441 4.910 4.470 -0.002 0.000 0.291 262 S C 1.769 176.329 174.600 -0.065 0.000 1.230 262 S CA 0.924 58.964 58.200 -0.267 0.000 1.107 262 S CB 0.416 63.393 63.200 -0.372 0.000 0.942 262 S HN 1.990 nan 8.310 nan 0.000 0.502 263 A N 5.622 128.449 122.820 0.011 0.000 1.968 263 A HA 0.023 4.341 4.320 -0.002 0.000 0.217 263 A C 1.967 179.526 177.584 -0.042 0.000 1.169 263 A CA 0.968 53.035 52.037 0.050 0.000 0.638 263 A CB -0.488 18.559 19.000 0.078 0.000 0.812 263 A HN 0.868 nan 8.150 nan 0.000 0.446 264 L N -0.777 120.407 121.223 -0.065 0.000 2.093 264 L HA -0.085 4.254 4.340 -0.002 0.000 0.208 264 L C 1.914 178.744 176.870 -0.067 0.000 1.085 264 L CA 1.447 56.240 54.840 -0.079 0.000 0.755 264 L CB -0.193 41.819 42.059 -0.079 0.000 0.904 264 L HN 0.283 nan 8.230 nan 0.000 0.435 265 K N 0.142 120.507 120.400 -0.057 0.000 2.459 265 K HA 0.057 4.375 4.320 -0.002 0.000 0.193 265 K C -0.305 176.286 176.600 -0.015 0.000 1.030 265 K CA 0.142 56.415 56.287 -0.024 0.000 1.026 265 K CB 0.044 32.544 32.500 -0.001 0.000 0.809 265 K HN 0.397 nan 8.250 nan 0.000 0.504 266 N N 1.702 120.393 118.700 -0.014 0.000 2.765 266 N HA -0.126 4.612 4.740 -0.002 0.000 0.254 266 N C -1.255 174.203 175.510 -0.087 0.000 1.094 266 N CA 0.880 53.966 53.050 0.059 0.000 0.680 266 N CB -1.268 37.315 38.487 0.159 0.000 0.902 266 N HN 0.292 nan 8.380 nan 0.000 0.557 267 K N -0.305 120.018 120.400 -0.128 0.000 2.565 267 K HA 0.539 4.858 4.320 -0.002 0.000 0.249 267 K C 0.856 177.400 176.600 -0.094 0.000 0.958 267 K CA -0.068 55.961 56.287 -0.429 0.000 0.806 267 K CB 1.934 34.327 32.500 -0.179 0.000 1.194 267 K HN 0.280 nan 8.250 nan 0.000 0.434 268 G N 0.759 109.506 108.800 -0.088 0.000 2.175 268 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.244 268 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.244 268 G C 0.648 175.622 174.900 0.124 0.000 0.982 268 G CA 0.406 45.618 45.100 0.187 0.000 0.641 268 G HN 0.348 nan 8.290 nan 0.000 0.527 269 V N 0.178 120.113 119.914 0.036 0.000 2.249 269 V HA -0.052 4.066 4.120 -0.002 0.000 0.239 269 V C 2.516 178.532 176.094 -0.129 0.000 1.038 269 V CA 2.391 64.664 62.300 -0.047 0.000 1.005 269 V CB -1.079 30.851 31.823 0.178 0.000 0.646 269 V HN 0.387 nan 8.190 nan 0.000 0.455 270 Q N -0.271 119.441 119.800 -0.146 0.000 2.325 270 Q HA -0.201 4.137 4.340 -0.002 0.000 0.211 270 Q C 2.071 178.010 176.000 -0.102 0.000 0.988 270 Q CA 1.624 57.268 55.803 -0.266 0.000 0.887 270 Q CB -0.251 28.346 28.738 -0.234 0.000 0.915 270 Q HN 0.643 nan 8.270 nan 0.000 0.440 271 L N -1.010 120.182 121.223 -0.051 0.000 2.307 271 L HA -0.056 4.282 4.340 -0.002 0.000 0.211 271 L C 2.017 178.909 176.870 0.038 0.000 1.099 271 L CA 0.035 54.879 54.840 0.006 0.000 0.816 271 L CB -0.199 41.834 42.059 -0.044 0.000 0.952 271 L HN 0.210 nan 8.230 nan 0.000 0.455 272 L N -0.091 121.092 121.223 -0.066 0.000 2.270 272 L HA -0.023 4.316 4.340 -0.002 0.000 0.210 272 L C 2.171 178.883 176.870 -0.264 0.000 1.104 272 L CA 1.372 56.085 54.840 -0.212 0.000 0.804 272 L CB -0.274 41.573 42.059 -0.354 0.000 0.937 272 L HN 0.098 nan 8.230 nan 0.000 0.450 273 L N -0.545 120.497 121.223 -0.301 0.000 2.046 273 L HA -0.221 4.118 4.340 -0.002 0.000 0.208 273 L C 2.177 179.039 176.870 -0.014 0.000 1.077 273 L CA 1.475 56.045 54.840 -0.451 0.000 0.747 273 L CB -0.622 40.664 42.059 -1.288 0.000 0.896 273 L HN 0.348 nan 8.230 nan 0.000 0.432 274 D N 0.053 120.593 120.400 0.234 0.000 2.084 274 D HA -0.169 4.470 4.640 -0.002 0.000 0.196 274 D C 2.208 178.585 176.300 0.129 0.000 0.985 274 D CA 1.443 55.634 54.000 0.319 0.000 0.826 274 D CB -0.157 40.813 40.800 0.283 0.000 0.978 274 D HN 0.306 nan 8.370 nan 0.000 0.456 275 A N 1.386 124.272 122.820 0.109 0.000 2.023 275 A HA -0.237 4.082 4.320 -0.002 0.000 0.223 275 A C 2.435 180.042 177.584 0.039 0.000 1.180 275 A CA 1.697 53.805 52.037 0.118 0.000 0.659 275 A CB -0.977 17.791 19.000 -0.387 0.000 0.817 275 A HN 0.145 nan 8.150 nan 0.000 0.466 276 V N -0.800 119.077 119.914 -0.062 0.000 2.266 276 V HA -0.310 3.808 4.120 -0.002 0.000 0.234 276 V C 2.307 178.373 176.094 -0.046 0.000 1.008 276 V CA 2.050 64.318 62.300 -0.054 0.000 0.999 276 V CB -1.404 30.395 31.823 -0.040 0.000 0.650 276 V HN 0.450 nan 8.190 nan 0.000 0.477 277 V N 0.895 120.764 119.914 -0.075 0.000 2.233 277 V HA -0.451 3.668 4.120 -0.002 0.000 0.256 277 V C 2.201 178.176 176.094 -0.197 0.000 1.069 277 V CA 3.159 65.330 62.300 -0.214 0.000 1.054 277 V CB -1.004 30.645 31.823 -0.291 0.000 0.664 277 V HN 0.879 nan 8.190 nan 0.000 0.453 278 D N -1.846 118.419 120.400 -0.224 0.000 2.228 278 D HA -0.191 4.447 4.640 -0.002 0.000 0.203 278 D C 1.496 177.409 176.300 -0.645 0.000 0.988 278 D CA 2.116 55.852 54.000 -0.441 0.000 0.864 278 D CB -0.134 40.306 40.800 -0.600 0.000 0.928 278 D HN 0.784 nan 8.370 nan 0.000 0.469 279 Y N -1.295 119.020 120.300 0.024 0.000 2.494 279 Y HA 0.263 4.811 4.550 -0.002 0.000 0.271 279 Y C 0.385 176.280 175.900 -0.009 0.000 1.113 279 Y CA -0.570 57.544 58.100 0.025 0.000 1.240 279 Y CB 0.471 38.984 38.460 0.088 0.000 1.268 279 Y HN -0.155 nan 8.280 nan 0.000 0.510 280 L N 4.817 126.093 121.223 0.088 0.000 2.305 280 L HA 0.308 4.647 4.340 -0.002 0.000 0.281 280 L C -2.172 174.696 176.870 -0.003 0.000 1.085 280 L CA -2.213 52.650 54.840 0.039 0.000 0.813 280 L CB 0.309 42.370 42.059 0.004 0.000 1.157 280 L HN -0.058 nan 8.230 nan 0.000 0.436 281 P HA -0.015 nan 4.420 nan 0.000 0.266 281 P C -0.358 176.939 177.300 -0.004 0.000 1.193 281 P CA -0.063 63.038 63.100 0.000 0.000 0.770 281 P CB 0.914 32.618 31.700 0.007 0.000 0.836 282 S N 2.251 117.950 115.700 -0.002 0.000 2.549 282 S HA 0.427 4.896 4.470 -0.002 0.000 0.297 282 S C -1.790 172.826 174.600 0.027 0.000 1.115 282 S CA -1.989 56.215 58.200 0.007 0.000 1.059 282 S CB 0.827 64.026 63.200 -0.001 0.000 1.046 282 S HN 0.129 nan 8.310 nan 0.000 0.506 283 P HA -0.092 nan 4.420 nan 0.000 0.221 283 P C 0.971 178.309 177.300 0.063 0.000 1.141 283 P CA 0.676 63.819 63.100 0.071 0.000 0.794 283 P CB 0.144 31.899 31.700 0.092 0.000 0.764 284 L N -0.560 120.685 121.223 0.036 0.000 2.253 284 L HA 0.032 4.371 4.340 -0.002 0.000 0.205 284 L C 1.121 178.001 176.870 0.018 0.000 1.078 284 L CA 1.580 56.436 54.840 0.026 0.000 0.805 284 L CB -0.977 41.084 42.059 0.004 0.000 0.963 284 L HN -0.187 nan 8.230 nan 0.000 0.459 285 D N 0.160 120.567 120.400 0.011 0.000 2.389 285 D HA -0.104 4.535 4.640 -0.002 0.000 0.221 285 D C 0.466 176.770 176.300 0.007 0.000 0.974 285 D CA 0.784 54.787 54.000 0.005 0.000 0.923 285 D CB -0.389 40.410 40.800 -0.001 0.000 0.892 285 D HN 0.214 nan 8.370 nan 0.000 0.518 286 I N 0.998 121.582 120.570 0.023 0.000 2.396 286 I HA 0.186 4.355 4.170 -0.002 0.000 0.292 286 I C -2.017 174.118 176.117 0.030 0.000 0.999 286 I CA -2.369 58.948 61.300 0.028 0.000 1.310 286 I CB 0.827 38.863 38.000 0.060 0.000 1.404 286 I HN -0.330 nan 8.210 nan 0.000 0.496 287 P HA 0.167 nan 4.420 nan 0.000 0.266 287 P C -2.342 174.971 177.300 0.021 0.000 1.215 287 P CA -0.696 62.406 63.100 0.003 0.000 0.763 287 P CB -0.257 31.421 31.700 -0.037 0.000 0.806 288 P HA -0.007 nan 4.420 nan 0.000 0.266 288 P C 0.084 177.366 177.300 -0.030 0.000 1.186 288 P CA 0.409 63.536 63.100 0.043 0.000 0.767 288 P CB 0.368 32.135 31.700 0.111 0.000 0.820 289 I N 2.125 122.617 120.570 -0.130 0.000 2.581 289 I HA 0.128 4.296 4.170 -0.002 0.000 0.288 289 I C 0.947 176.976 176.117 -0.147 0.000 1.047 289 I CA -0.225 60.944 61.300 -0.218 0.000 1.374 289 I CB 0.627 38.285 38.000 -0.571 0.000 1.423 289 I HN 0.277 nan 8.210 nan 0.000 0.549 290 K N 2.727 123.062 120.400 -0.108 0.000 2.123 290 K HA 0.635 4.954 4.320 -0.002 0.000 0.259 290 K C -0.077 176.477 176.600 -0.078 0.000 0.960 290 K CA -0.423 55.818 56.287 -0.076 0.000 0.872 290 K CB 2.064 34.537 32.500 -0.045 0.000 1.079 290 K HN 0.843 nan 8.250 nan 0.000 0.440 291 G N 0.330 109.093 108.800 -0.062 0.000 2.733 291 G HA2 0.537 4.495 3.960 -0.002 0.000 0.288 291 G HA3 0.537 4.495 3.960 -0.002 0.000 0.288 291 G C -1.232 173.652 174.900 -0.028 0.000 1.373 291 G CA -0.431 44.643 45.100 -0.043 0.000 0.895 291 G HN 0.418 nan 8.290 nan 0.000 0.479 292 T N 0.416 114.961 114.554 -0.015 0.000 2.876 292 T HA 0.612 4.961 4.350 -0.002 0.000 0.289 292 T C 0.620 175.320 174.700 -0.001 0.000 1.014 292 T CA -0.356 61.739 62.100 -0.009 0.000 0.986 292 T CB 1.508 70.372 68.868 -0.005 0.000 1.021 292 T HN 0.917 nan 8.240 nan 0.000 0.458 293 T N 0.510 115.064 114.554 0.000 0.000 2.766 293 T HA 0.242 4.591 4.350 -0.002 0.000 0.295 293 T C -1.431 173.277 174.700 0.013 0.000 1.024 293 T CA -1.343 60.761 62.100 0.008 0.000 1.018 293 T CB 0.262 69.133 68.868 0.005 0.000 1.002 293 T HN 0.313 nan 8.240 nan 0.000 0.532 294 P HA 0.005 nan 4.420 nan 0.000 0.230 294 P C 0.847 178.157 177.300 0.016 0.000 1.158 294 P CA 0.752 63.866 63.100 0.023 0.000 0.769 294 P CB 0.254 31.974 31.700 0.034 0.000 0.807 295 E N 0.316 120.523 120.200 0.013 0.000 2.075 295 E HA 0.208 4.557 4.350 -0.002 0.000 0.190 295 E C 1.304 177.908 176.600 0.007 0.000 0.969 295 E CA 0.994 57.400 56.400 0.009 0.000 0.815 295 E CB -0.553 29.152 29.700 0.008 0.000 0.776 295 E HN 0.276 nan 8.360 nan 0.000 0.457 296 G N 1.576 110.379 108.800 0.005 0.000 2.492 296 G HA2 0.191 4.149 3.960 -0.002 0.000 0.283 296 G HA3 0.191 4.149 3.960 -0.002 0.000 0.283 296 G C -1.065 173.835 174.900 0.000 0.000 1.274 296 G CA -0.222 44.880 45.100 0.003 0.000 1.215 296 G HN 0.123 nan 8.290 nan 0.000 0.598 297 E N 0.422 120.620 120.200 -0.002 0.000 2.935 297 E HA 0.433 4.782 4.350 -0.002 0.000 0.321 297 E C -0.899 175.696 176.600 -0.009 0.000 1.070 297 E CA -1.066 55.331 56.400 -0.004 0.000 0.882 297 E CB 1.059 30.756 29.700 -0.003 0.000 1.224 297 E HN 0.750 nan 8.360 nan 0.000 0.445 298 V N 2.232 122.139 119.914 -0.011 0.000 3.566 298 V HA 0.449 4.568 4.120 -0.002 0.000 0.301 298 V C -0.217 175.861 176.094 -0.026 0.000 1.105 298 V CA 0.759 63.048 62.300 -0.018 0.000 1.142 298 V CB 1.443 33.257 31.823 -0.015 0.000 1.107 298 V HN 0.774 nan 8.190 nan 0.000 0.481 299 V N 2.571 122.461 119.914 -0.039 0.000 2.769 299 V HA 0.243 4.362 4.120 -0.002 0.000 0.247 299 V C -0.592 175.447 176.094 -0.092 0.000 1.794 299 V CA -0.817 61.446 62.300 -0.061 0.000 0.860 299 V CB 1.635 33.419 31.823 -0.066 0.000 1.327 299 V HN 1.004 nan 8.190 nan 0.000 0.476 300 E N 5.711 125.841 120.200 -0.117 0.000 2.413 300 E HA 0.315 4.664 4.350 -0.002 0.000 0.263 300 E C -0.546 175.906 176.600 -0.246 0.000 1.015 300 E CA -0.154 56.165 56.400 -0.135 0.000 0.916 300 E CB 0.857 30.527 29.700 -0.050 0.000 0.947 300 E HN 0.500 nan 8.360 nan 0.000 0.440 301 I N 3.408 123.896 120.570 -0.136 0.000 2.359 301 I HA 0.147 4.315 4.170 -0.002 0.000 0.284 301 I C -0.054 176.101 176.117 0.063 0.000 1.018 301 I CA -0.389 60.855 61.300 -0.094 0.000 1.173 301 I CB 0.395 38.367 38.000 -0.047 0.000 1.326 301 I HN 0.433 nan 8.210 nan 0.000 0.462 302 H N 7.396 126.497 119.070 0.052 0.000 2.899 302 H HA 0.105 4.660 4.556 -0.002 0.000 0.303 302 H C -1.380 174.006 175.328 0.097 0.000 1.042 302 H CA -1.495 54.592 56.048 0.064 0.000 1.479 302 H CB 0.781 30.573 29.762 0.050 0.000 1.493 302 H HN 0.373 nan 8.280 nan 0.000 0.534 303 P HA -0.122 nan 4.420 nan 0.000 0.299 303 P C -0.379 177.017 177.300 0.159 0.000 1.515 303 P CA 0.328 63.546 63.100 0.196 0.000 0.770 303 P CB -0.475 31.326 31.700 0.168 0.000 1.614 304 D N 1.897 122.392 120.400 0.158 0.000 2.316 304 D HA 0.102 4.741 4.640 -0.002 0.000 0.245 304 D C -1.457 174.919 176.300 0.126 0.000 1.171 304 D CA -2.536 51.540 54.000 0.127 0.000 0.856 304 D CB 0.683 41.552 40.800 0.115 0.000 1.090 304 D HN 0.048 nan 8.370 nan 0.000 0.476 305 P HA 0.011 nan 4.420 nan 0.000 0.285 305 P C -0.690 176.662 177.300 0.087 0.000 1.521 305 P CA 0.333 63.504 63.100 0.117 0.000 0.792 305 P CB 0.021 31.819 31.700 0.163 0.000 1.613 306 N N -1.531 117.219 118.700 0.083 0.000 2.081 306 N HA 0.086 4.824 4.740 -0.002 0.000 0.230 306 N C 0.881 176.430 175.510 0.065 0.000 1.351 306 N CA -0.032 53.058 53.050 0.067 0.000 0.840 306 N CB 1.187 39.711 38.487 0.061 0.000 1.189 306 N HN 0.147 nan 8.380 nan 0.000 0.503 307 G N 1.798 110.644 108.800 0.077 0.000 2.642 307 G HA2 0.473 4.431 3.960 -0.002 0.000 0.291 307 G HA3 0.473 4.431 3.960 -0.002 0.000 0.291 307 G C -2.542 172.397 174.900 0.065 0.000 1.345 307 G CA -1.056 44.089 45.100 0.075 0.000 1.043 307 G HN -0.176 nan 8.290 nan 0.000 0.528 308 P HA 0.060 nan 4.420 nan 0.000 0.270 308 P C -0.583 176.755 177.300 0.064 0.000 1.221 308 P CA -0.237 62.896 63.100 0.055 0.000 0.788 308 P CB 0.840 32.568 31.700 0.048 0.000 0.904 309 L N 1.284 122.544 121.223 0.062 0.000 2.261 309 L HA 0.569 4.907 4.340 -0.002 0.000 0.289 309 L C -0.627 176.286 176.870 0.072 0.000 1.059 309 L CA -0.481 54.397 54.840 0.062 0.000 0.816 309 L CB -0.379 41.710 42.059 0.050 0.000 1.191 309 L HN 0.459 nan 8.230 nan 0.000 0.431 310 A N 4.826 127.701 122.820 0.092 0.000 2.357 310 A HA 0.942 5.260 4.320 -0.002 0.000 0.295 310 A C -0.729 176.938 177.584 0.137 0.000 1.121 310 A CA 0.048 52.154 52.037 0.116 0.000 0.742 310 A CB 1.072 20.153 19.000 0.135 0.000 1.181 310 A HN 1.179 nan 8.150 nan 0.000 0.454 311 A N 2.377 125.252 122.820 0.092 0.000 2.454 311 A HA 0.800 5.119 4.320 -0.002 0.000 0.302 311 A C -0.961 176.668 177.584 0.075 0.000 1.079 311 A CA -0.466 51.597 52.037 0.044 0.000 0.731 311 A CB 1.146 20.122 19.000 -0.039 0.000 1.299 311 A HN 0.930 nan 8.150 nan 0.000 0.413 312 L N 0.917 122.188 121.223 0.080 0.000 2.375 312 L HA 0.786 5.125 4.340 -0.002 0.000 0.268 312 L C 0.468 177.358 176.870 0.032 0.000 1.058 312 L CA -0.519 54.406 54.840 0.141 0.000 0.803 312 L CB 1.782 44.035 42.059 0.325 0.000 1.212 312 L HN 0.932 nan 8.230 nan 0.000 0.451 313 A N 1.421 124.255 122.820 0.024 0.000 2.346 313 A HA 0.694 5.012 4.320 -0.002 0.000 0.313 313 A C -0.655 176.942 177.584 0.023 0.000 1.140 313 A CA -0.342 51.632 52.037 -0.105 0.000 0.826 313 A CB 1.291 20.229 19.000 -0.102 0.000 1.332 313 A HN 0.745 nan 8.150 nan 0.000 0.457 314 F N -2.536 117.441 119.950 0.044 0.000 3.142 314 F HA 0.537 5.063 4.527 -0.002 0.000 0.376 314 F C -0.325 175.493 175.800 0.030 0.000 1.161 314 F CA -0.598 57.420 58.000 0.030 0.000 0.988 314 F CB 0.401 39.411 39.000 0.017 0.000 1.457 314 F HN 0.344 nan 8.300 nan 0.000 0.516 315 K N 2.462 122.919 120.400 0.095 0.000 2.575 315 K HA 0.334 4.653 4.320 -0.002 0.000 0.271 315 K C -1.562 175.108 176.600 0.116 0.000 1.013 315 K CA -0.066 56.325 56.287 0.174 0.000 0.939 315 K CB 1.967 34.677 32.500 0.351 0.000 1.328 315 K HN 0.090 nan 8.250 nan 0.000 0.450 316 I N 2.642 123.258 120.570 0.076 0.000 2.664 316 I HA 0.588 4.756 4.170 -0.002 0.000 0.308 316 I C 0.357 176.528 176.117 0.089 0.000 0.984 316 I CA -0.802 60.531 61.300 0.056 0.000 1.213 316 I CB 0.978 38.986 38.000 0.013 0.000 1.379 316 I HN 0.594 nan 8.210 nan 0.000 0.501 317 M N 2.417 122.069 119.600 0.086 0.000 2.373 317 M HA 0.439 4.918 4.480 -0.002 0.000 0.290 317 M C -1.220 175.112 176.300 0.054 0.000 1.143 317 M CA -0.460 54.895 55.300 0.093 0.000 0.949 317 M CB 2.576 35.290 32.600 0.190 0.000 1.756 317 M HN 0.707 nan 8.290 nan 0.000 0.494 318 A N 2.337 125.176 122.820 0.032 0.000 2.279 318 A HA 0.530 4.849 4.320 -0.002 0.000 0.306 318 A C -0.976 176.608 177.584 0.001 0.000 1.300 318 A CA -0.148 51.892 52.037 0.005 0.000 0.925 318 A CB 0.037 19.033 19.000 -0.006 0.000 1.152 318 A HN 0.770 nan 8.150 nan 0.000 0.544 319 D N 2.656 123.052 120.400 -0.007 0.000 2.163 319 D HA 0.537 5.176 4.640 -0.002 0.000 0.248 319 D C -1.733 174.510 176.300 -0.094 0.000 1.035 319 D CA -1.601 52.394 54.000 -0.009 0.000 0.872 319 D CB 1.827 42.654 40.800 0.044 0.000 1.183 319 D HN 0.197 nan 8.370 nan 0.000 0.445 320 P HA -0.045 nan 4.420 nan 0.000 0.220 320 P C 0.380 177.406 177.300 -0.456 0.000 1.152 320 P CA 0.965 63.805 63.100 -0.433 0.000 0.812 320 P CB 0.182 31.471 31.700 -0.685 0.000 0.792 321 Y N -0.795 119.502 120.300 -0.006 0.000 2.262 321 Y HA -0.015 4.534 4.550 -0.002 0.000 0.295 321 Y C 2.129 178.018 175.900 -0.018 0.000 1.121 321 Y CA 0.811 58.906 58.100 -0.009 0.000 1.144 321 Y CB -1.056 37.401 38.460 -0.004 0.000 1.043 321 Y HN -0.200 nan 8.280 nan 0.000 0.528 322 V N -3.708 116.268 119.914 0.103 0.000 3.605 322 V HA 0.736 4.855 4.120 -0.002 0.000 0.284 322 V C 1.002 177.091 176.094 -0.008 0.000 1.386 322 V CA 0.229 62.549 62.300 0.034 0.000 1.053 322 V CB -0.109 31.722 31.823 0.014 0.000 0.857 322 V HN 0.496 nan 8.190 nan 0.000 0.436 323 G N 1.412 110.202 108.800 -0.018 0.000 2.499 323 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.232 323 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.232 323 G C -0.036 174.845 174.900 -0.031 0.000 1.251 323 G CA 0.083 45.164 45.100 -0.031 0.000 0.917 323 G HN 0.775 nan 8.290 nan 0.000 0.580 324 R N 0.209 120.687 120.500 -0.036 0.000 2.473 324 R HA 0.350 4.688 4.340 -0.002 0.000 0.315 324 R C 0.012 176.273 176.300 -0.065 0.000 0.972 324 R CA 0.219 56.296 56.100 -0.038 0.000 1.047 324 R CB -0.437 29.840 30.300 -0.039 0.000 0.932 324 R HN 0.430 nan 8.270 nan 0.000 0.411 325 L N 4.009 125.193 121.223 -0.065 0.000 2.346 325 L HA 0.388 4.727 4.340 -0.002 0.000 0.276 325 L C -0.063 176.717 176.870 -0.149 0.000 1.006 325 L CA -0.713 54.040 54.840 -0.145 0.000 0.817 325 L CB 2.335 44.312 42.059 -0.136 0.000 1.272 325 L HN 0.715 nan 8.230 nan 0.000 0.421 326 T N -0.649 113.753 114.554 -0.253 0.000 3.331 326 T HA 0.388 4.737 4.350 -0.002 0.000 0.381 326 T C -0.244 174.230 174.700 -0.377 0.000 1.656 326 T CA -0.493 61.468 62.100 -0.233 0.000 1.453 326 T CB -0.467 68.296 68.868 -0.176 0.000 1.066 326 T HN 0.079 nan 8.240 nan 0.000 0.655 327 F N 3.082 122.778 119.950 -0.424 0.000 2.604 327 F HA 0.260 4.785 4.527 -0.002 0.000 0.393 327 F C 0.840 175.975 175.800 -1.107 0.000 1.043 327 F CA -0.394 57.205 58.000 -0.668 0.000 1.227 327 F CB 0.057 38.676 39.000 -0.634 0.000 1.016 327 F HN 0.561 nan 8.300 nan 0.000 0.556 328 I N 1.032 121.277 120.570 -0.542 0.000 2.730 328 I HA 0.670 4.838 4.170 -0.002 0.000 0.298 328 I C -0.841 175.240 176.117 -0.060 0.000 1.089 328 I CA -1.355 59.731 61.300 -0.356 0.000 1.041 328 I CB 2.149 40.007 38.000 -0.237 0.000 1.235 328 I HN 0.340 nan 8.210 nan 0.000 0.423 329 R N 4.849 125.348 120.500 -0.001 0.000 2.275 329 R HA 0.645 4.984 4.340 -0.002 0.000 0.326 329 R C -1.548 174.459 176.300 -0.488 0.000 0.973 329 R CA -0.776 55.244 56.100 -0.133 0.000 0.854 329 R CB 0.577 30.820 30.300 -0.096 0.000 1.156 329 R HN 0.656 nan 8.270 nan 0.000 0.487 330 V N 5.886 125.595 119.914 -0.341 0.000 2.811 330 V HA 0.147 4.265 4.120 -0.002 0.000 0.302 330 V C 0.229 176.074 176.094 -0.415 0.000 1.063 330 V CA 0.146 62.262 62.300 -0.306 0.000 1.088 330 V CB 0.588 32.337 31.823 -0.123 0.000 0.982 330 V HN 0.764 nan 8.190 nan 0.000 0.485 331 Y N 0.899 121.241 120.300 0.069 0.000 2.769 331 Y HA 0.298 4.846 4.550 -0.002 0.000 0.266 331 Y C 1.460 177.409 175.900 0.083 0.000 1.091 331 Y CA 0.694 58.842 58.100 0.080 0.000 1.272 331 Y CB 0.214 38.717 38.460 0.072 0.000 1.469 331 Y HN 0.618 nan 8.280 nan 0.000 0.475 332 S N -0.934 114.899 115.700 0.221 0.000 2.751 332 S HA 0.606 5.075 4.470 -0.002 0.000 0.310 332 S C 0.519 175.181 174.600 0.104 0.000 1.128 332 S CA -0.059 58.234 58.200 0.155 0.000 0.931 332 S CB 0.718 64.000 63.200 0.137 0.000 1.177 332 S HN 0.774 nan 8.310 nan 0.000 0.530 333 G N 0.970 109.824 108.800 0.089 0.000 2.549 333 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.338 333 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.338 333 G C -0.433 174.494 174.900 0.046 0.000 1.342 333 G CA 0.429 45.568 45.100 0.065 0.000 0.935 333 G HN 1.358 nan 8.290 nan 0.000 0.534 334 T N -0.039 114.530 114.554 0.024 0.000 3.578 334 T HA 0.408 4.757 4.350 -0.002 0.000 0.329 334 T C -0.143 174.550 174.700 -0.012 0.000 0.913 334 T CA -0.294 61.803 62.100 -0.005 0.000 1.029 334 T CB 1.472 70.331 68.868 -0.016 0.000 1.045 334 T HN 1.046 nan 8.240 nan 0.000 0.460 335 L N 3.504 124.711 121.223 -0.026 0.000 2.506 335 L HA 0.523 4.861 4.340 -0.002 0.000 0.281 335 L C -0.018 176.830 176.870 -0.038 0.000 1.228 335 L CA 1.181 56.002 54.840 -0.031 0.000 0.850 335 L CB 0.410 42.439 42.059 -0.050 0.000 1.110 335 L HN 0.676 nan 8.230 nan 0.000 0.496 336 T N 2.856 117.392 114.554 -0.029 0.000 2.893 336 T HA 0.282 4.631 4.350 -0.002 0.000 0.293 336 T C -0.580 174.096 174.700 -0.040 0.000 1.027 336 T CA -0.433 61.648 62.100 -0.031 0.000 0.988 336 T CB 1.420 70.281 68.868 -0.011 0.000 1.043 336 T HN 0.752 nan 8.240 nan 0.000 0.461 337 S N 2.032 117.704 115.700 -0.046 0.000 2.466 337 S HA 0.433 4.901 4.470 -0.002 0.000 0.286 337 S C 1.137 175.709 174.600 -0.047 0.000 1.221 337 S CA 0.555 58.721 58.200 -0.056 0.000 1.091 337 S CB -1.004 62.162 63.200 -0.057 0.000 0.956 337 S HN 1.575 nan 8.310 nan 0.000 0.501 338 G N 3.859 112.620 108.800 -0.064 0.000 2.520 338 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.264 338 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.264 338 G C 0.046 174.928 174.900 -0.030 0.000 1.140 338 G CA -0.036 45.029 45.100 -0.059 0.000 1.012 338 G HN 0.935 nan 8.290 nan 0.000 0.511 339 S N -1.142 114.526 115.700 -0.053 0.000 3.728 339 S HA 0.890 5.359 4.470 -0.002 0.000 0.253 339 S C -0.897 173.686 174.600 -0.028 0.000 1.032 339 S CA -0.672 57.547 58.200 0.033 0.000 1.323 339 S CB 1.242 64.464 63.200 0.036 0.000 1.223 339 S HN 0.591 nan 8.310 nan 0.000 0.728 340 Y N 0.735 121.035 120.300 -0.000 0.000 2.358 340 Y HA 0.503 5.051 4.550 -0.002 0.000 0.324 340 Y C -0.375 175.542 175.900 0.029 0.000 1.123 340 Y CA -0.806 57.301 58.100 0.012 0.000 1.067 340 Y CB 1.490 39.956 38.460 0.009 0.000 1.230 340 Y HN 0.550 nan 8.280 nan 0.000 0.429 341 V N 0.398 120.397 119.914 0.143 0.000 3.240 341 V HA 0.672 4.791 4.120 -0.002 0.000 0.306 341 V C -1.975 174.266 176.094 0.245 0.000 1.227 341 V CA -1.082 61.304 62.300 0.143 0.000 1.047 341 V CB 2.550 34.404 31.823 0.051 0.000 1.203 341 V HN 0.591 nan 8.190 nan 0.000 0.471 342 Y N 1.349 121.673 120.300 0.039 0.000 2.287 342 Y HA 0.422 4.971 4.550 -0.002 0.000 0.325 342 Y C -0.478 175.436 175.900 0.022 0.000 1.139 342 Y CA -1.088 57.034 58.100 0.037 0.000 1.167 342 Y CB 1.244 39.727 38.460 0.038 0.000 1.158 342 Y HN 0.954 nan 8.280 nan 0.000 0.434 343 N N 3.440 121.884 118.700 -0.428 0.000 2.406 343 N HA 0.106 4.845 4.740 -0.002 0.000 0.251 343 N C 0.900 176.008 175.510 -0.669 0.000 1.069 343 N CA 0.589 53.408 53.050 -0.386 0.000 0.947 343 N CB 1.040 39.399 38.487 -0.214 0.000 1.111 343 N HN 0.785 nan 8.380 nan 0.000 0.497 344 T N 0.115 114.377 114.554 -0.486 0.000 2.904 344 T HA -0.120 4.229 4.350 -0.002 0.000 0.267 344 T C 1.710 176.282 174.700 -0.213 0.000 1.059 344 T CA 1.192 63.056 62.100 -0.393 0.000 1.137 344 T CB -0.336 68.454 68.868 -0.131 0.000 0.879 344 T HN 0.409 nan 8.240 nan 0.000 0.467 345 T N 2.083 116.541 114.554 -0.159 0.000 2.635 345 T HA -0.076 4.273 4.350 -0.002 0.000 0.267 345 T C 1.327 175.976 174.700 -0.085 0.000 1.040 345 T CA 1.421 63.466 62.100 -0.091 0.000 1.156 345 T CB -0.253 68.577 68.868 -0.063 0.000 0.863 345 T HN 0.461 nan 8.240 nan 0.000 0.430 346 K N 0.667 121.000 120.400 -0.113 0.000 2.861 346 K HA 0.378 4.696 4.320 -0.002 0.000 0.210 346 K C 0.545 177.092 176.600 -0.089 0.000 1.112 346 K CA -0.296 55.946 56.287 -0.075 0.000 1.076 346 K CB 0.659 33.127 32.500 -0.054 0.000 0.853 346 K HN 0.310 nan 8.250 nan 0.000 0.463 347 G N 2.501 111.216 108.800 -0.142 0.000 2.158 347 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.257 347 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.257 347 G C -0.247 174.653 174.900 -0.000 0.000 0.811 347 G CA 0.602 45.634 45.100 -0.113 0.000 1.178 347 G HN 0.262 nan 8.290 nan 0.000 0.389 348 R N 0.016 120.414 120.500 -0.170 0.000 2.621 348 R HA 0.480 4.819 4.340 -0.002 0.000 0.284 348 R C -0.315 176.082 176.300 0.161 0.000 0.998 348 R CA -0.967 55.169 56.100 0.062 0.000 0.895 348 R CB 1.045 31.349 30.300 0.007 0.000 1.195 348 R HN 0.090 nan 8.270 nan 0.000 0.450 349 K N 3.497 124.077 120.400 0.301 0.000 2.231 349 K HA 0.189 4.507 4.320 -0.002 0.000 0.275 349 K C -0.649 176.077 176.600 0.211 0.000 1.105 349 K CA -0.299 56.194 56.287 0.343 0.000 0.931 349 K CB 0.745 33.399 32.500 0.257 0.000 1.296 349 K HN 0.538 nan 8.250 nan 0.000 0.446 350 E N 1.657 121.944 120.200 0.145 0.000 2.250 350 E HA 0.182 4.530 4.350 -0.002 0.000 0.269 350 E C -0.098 176.461 176.600 -0.067 0.000 1.018 350 E CA -0.782 55.635 56.400 0.029 0.000 0.873 350 E CB 1.528 31.215 29.700 -0.022 0.000 1.134 350 E HN 0.201 nan 8.360 nan 0.000 0.403 351 R N 1.445 121.805 120.500 -0.233 0.000 2.332 351 R HA 0.181 4.520 4.340 -0.002 0.000 0.306 351 R C -1.131 174.949 176.300 -0.366 0.000 1.117 351 R CA -0.568 55.178 56.100 -0.590 0.000 1.108 351 R CB -0.172 29.699 30.300 -0.715 0.000 1.126 351 R HN 0.284 nan 8.270 nan 0.000 0.548 352 V N 4.265 124.014 119.914 -0.274 0.000 2.540 352 V HA 0.347 4.466 4.120 -0.002 0.000 0.297 352 V C 0.532 176.510 176.094 -0.193 0.000 1.024 352 V CA 1.211 63.399 62.300 -0.187 0.000 1.105 352 V CB 0.515 32.259 31.823 -0.133 0.000 0.938 352 V HN 0.905 nan 8.190 nan 0.000 0.482 353 A N 7.106 129.832 122.820 -0.156 0.000 1.984 353 A HA 0.441 4.760 4.320 -0.002 0.000 0.203 353 A C 1.282 178.805 177.584 -0.101 0.000 1.292 353 A CA 0.074 52.035 52.037 -0.128 0.000 0.782 353 A CB 0.231 19.163 19.000 -0.114 0.000 0.924 353 A HN 0.746 nan 8.150 nan 0.000 0.475 354 R N 0.010 120.446 120.500 -0.107 0.000 2.621 354 R HA 0.537 4.875 4.340 -0.002 0.000 0.284 354 R C -1.863 174.366 176.300 -0.119 0.000 0.998 354 R CA -0.615 55.426 56.100 -0.099 0.000 0.895 354 R CB 1.367 31.613 30.300 -0.091 0.000 1.195 354 R HN 0.195 nan 8.270 nan 0.000 0.450 355 L N 4.675 125.829 121.223 -0.116 0.000 2.331 355 L HA 0.653 4.991 4.340 -0.002 0.000 0.275 355 L C -0.571 176.212 176.870 -0.144 0.000 1.022 355 L CA -0.740 54.020 54.840 -0.134 0.000 0.812 355 L CB 1.574 43.565 42.059 -0.113 0.000 1.257 355 L HN 0.653 nan 8.230 nan 0.000 0.435 356 L N 2.527 123.644 121.223 -0.177 0.000 2.592 356 L HA 0.444 4.783 4.340 -0.002 0.000 0.258 356 L C -1.109 175.644 176.870 -0.195 0.000 0.926 356 L CA -0.467 54.264 54.840 -0.182 0.000 0.885 356 L CB 2.198 44.144 42.059 -0.187 0.000 1.380 356 L HN 0.579 nan 8.230 nan 0.000 0.415 357 R N 4.584 124.963 120.500 -0.202 0.000 2.494 357 R HA 0.556 4.894 4.340 -0.002 0.000 0.305 357 R C -1.152 174.993 176.300 -0.258 0.000 0.959 357 R CA -1.020 54.958 56.100 -0.203 0.000 0.864 357 R CB 2.007 32.163 30.300 -0.240 0.000 1.159 357 R HN 0.507 nan 8.270 nan 0.000 0.446 358 M N 4.114 123.651 119.600 -0.105 0.000 2.135 358 M HA 0.201 4.679 4.480 -0.002 0.000 0.345 358 M C -0.289 176.002 176.300 -0.015 0.000 1.340 358 M CA -0.506 54.762 55.300 -0.053 0.000 1.162 358 M CB -0.070 32.592 32.600 0.103 0.000 1.570 358 M HN 0.260 nan 8.290 nan 0.000 0.454 359 H N 1.453 120.423 119.070 -0.167 0.000 2.481 359 H HA 0.364 4.918 4.556 -0.002 0.000 0.339 359 H C 1.011 176.313 175.328 -0.044 0.000 1.131 359 H CA -0.335 55.623 56.048 -0.150 0.000 1.301 359 H CB 1.052 30.600 29.762 -0.357 0.000 1.476 359 H HN 0.754 nan 8.280 nan 0.000 0.529 360 A N 2.378 125.278 122.820 0.134 0.000 2.322 360 A HA -0.271 4.048 4.320 -0.002 0.000 0.218 360 A C 1.428 179.079 177.584 0.112 0.000 1.201 360 A CA 2.391 54.482 52.037 0.090 0.000 0.685 360 A CB -0.486 18.544 19.000 0.050 0.000 0.785 360 A HN 0.772 nan 8.150 nan 0.000 0.500 361 N N -2.826 115.984 118.700 0.183 0.000 1.856 361 N HA 0.017 4.756 4.740 -0.002 0.000 0.223 361 N C -0.329 175.329 175.510 0.247 0.000 1.438 361 N CA 0.505 53.659 53.050 0.174 0.000 0.693 361 N CB 0.542 39.113 38.487 0.140 0.000 1.051 361 N HN 0.704 nan 8.380 nan 0.000 0.563 362 H N -1.671 117.438 119.070 0.065 0.000 2.918 362 H HA 0.503 5.057 4.556 -0.002 0.000 0.303 362 H C -1.162 174.179 175.328 0.022 0.000 1.380 362 H CA -0.780 55.287 56.048 0.030 0.000 1.134 362 H CB 0.387 30.172 29.762 0.038 0.000 1.842 362 H HN -0.101 nan 8.280 nan 0.000 0.533 363 R N 1.046 121.512 120.500 -0.057 0.000 2.332 363 R HA 0.148 4.486 4.340 -0.002 0.000 0.306 363 R C -0.281 175.896 176.300 -0.205 0.000 1.117 363 R CA -0.426 55.568 56.100 -0.177 0.000 1.108 363 R CB 1.048 31.297 30.300 -0.085 0.000 1.126 363 R HN 0.593 nan 8.270 nan 0.000 0.548 364 E N 3.018 122.970 120.200 -0.414 0.000 2.220 364 E HA -0.077 4.272 4.350 -0.002 0.000 0.272 364 E C -0.685 175.786 176.600 -0.215 0.000 1.099 364 E CA 0.029 56.241 56.400 -0.313 0.000 0.907 364 E CB 0.590 29.913 29.700 -0.628 0.000 1.022 364 E HN 0.385 nan 8.360 nan 0.000 0.428 365 E N 5.041 125.175 120.200 -0.109 0.000 1.941 365 E HA 0.117 4.466 4.350 -0.002 0.000 0.275 365 E C -0.130 176.423 176.600 -0.079 0.000 1.113 365 E CA -0.641 55.703 56.400 -0.092 0.000 0.878 365 E CB 0.531 30.196 29.700 -0.059 0.000 1.070 365 E HN 0.442 nan 8.360 nan 0.000 0.399 366 V N 1.390 121.246 119.914 -0.097 0.000 3.295 366 V HA 0.286 4.405 4.120 -0.002 0.000 0.308 366 V C 0.914 176.968 176.094 -0.067 0.000 1.068 366 V CA -0.379 61.877 62.300 -0.073 0.000 1.062 366 V CB 1.673 33.448 31.823 -0.079 0.000 1.162 366 V HN 0.742 nan 8.190 nan 0.000 0.456 367 E N -0.048 120.119 120.200 -0.056 0.000 2.489 367 E HA 0.196 4.544 4.350 -0.002 0.000 0.204 367 E C 0.035 176.601 176.600 -0.057 0.000 1.006 367 E CA 0.394 56.764 56.400 -0.050 0.000 0.936 367 E CB 0.526 30.206 29.700 -0.034 0.000 1.002 367 E HN 0.973 nan 8.360 nan 0.000 0.488 368 E N -0.721 119.436 120.200 -0.072 0.000 2.389 368 E HA 0.304 4.652 4.350 -0.002 0.000 0.281 368 E C -1.597 174.937 176.600 -0.110 0.000 1.111 368 E CA -0.745 55.606 56.400 -0.082 0.000 0.869 368 E CB 0.572 30.233 29.700 -0.066 0.000 1.259 368 E HN -0.111 nan 8.360 nan 0.000 0.434 369 L N 1.764 122.919 121.223 -0.112 0.000 2.372 369 L HA 0.416 4.755 4.340 -0.002 0.000 0.273 369 L C -0.497 176.290 176.870 -0.139 0.000 0.989 369 L CA -0.422 54.337 54.840 -0.136 0.000 0.841 369 L CB 1.600 43.590 42.059 -0.115 0.000 1.225 369 L HN 0.420 nan 8.230 nan 0.000 0.414 370 K N 2.199 122.463 120.400 -0.227 0.000 2.218 370 K HA 0.639 4.957 4.320 -0.002 0.000 0.276 370 K C 0.315 176.872 176.600 -0.071 0.000 1.022 370 K CA -0.609 55.564 56.287 -0.191 0.000 0.946 370 K CB 1.066 33.337 32.500 -0.383 0.000 1.000 370 K HN 0.680 nan 8.250 nan 0.000 0.468 371 A N 1.651 124.489 122.820 0.030 0.000 2.622 371 A HA 0.127 4.445 4.320 -0.002 0.000 0.235 371 A C 1.365 179.029 177.584 0.133 0.000 1.013 371 A CA 1.336 53.422 52.037 0.082 0.000 0.765 371 A CB -0.860 18.221 19.000 0.136 0.000 0.921 371 A HN 1.024 nan 8.150 nan 0.000 0.506 372 G N 1.231 110.075 108.800 0.074 0.000 2.241 372 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.244 372 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.244 372 G C 0.221 175.169 174.900 0.079 0.000 0.998 372 G CA 0.546 45.709 45.100 0.105 0.000 0.621 372 G HN 1.046 nan 8.290 nan 0.000 0.519 373 D N 0.076 120.505 120.400 0.049 0.000 2.348 373 D HA 0.648 5.286 4.640 -0.002 0.000 0.249 373 D C -0.227 176.074 176.300 0.001 0.000 1.110 373 D CA -0.024 53.994 54.000 0.030 0.000 0.967 373 D CB 1.263 42.045 40.800 -0.030 0.000 1.139 373 D HN 0.106 nan 8.370 nan 0.000 0.466 374 L N 0.449 121.689 121.223 0.028 0.000 2.388 374 L HA 0.721 5.060 4.340 -0.002 0.000 0.264 374 L C 0.646 177.555 176.870 0.065 0.000 0.998 374 L CA -0.226 54.657 54.840 0.071 0.000 0.817 374 L CB 2.186 44.332 42.059 0.145 0.000 1.338 374 L HN 0.629 nan 8.230 nan 0.000 0.414 375 G N 0.526 109.370 108.800 0.073 0.000 2.364 375 G HA2 0.677 4.635 3.960 -0.002 0.000 0.286 375 G HA3 0.677 4.635 3.960 -0.002 0.000 0.286 375 G C -2.201 172.570 174.900 -0.214 0.000 1.241 375 G CA 0.071 45.178 45.100 0.011 0.000 0.887 375 G HN 0.767 nan 8.290 nan 0.000 0.484 376 A N -0.884 121.648 122.820 -0.480 0.000 2.386 376 A HA 0.892 5.211 4.320 -0.002 0.000 0.311 376 A C -0.272 177.043 177.584 -0.449 0.000 1.068 376 A CA -0.068 51.514 52.037 -0.759 0.000 0.743 376 A CB 1.640 19.711 19.000 -1.547 0.000 1.258 376 A HN 2.228 nan 8.150 nan 0.000 0.429 377 V N 1.373 121.058 119.914 -0.381 0.000 2.732 377 V HA 0.873 4.992 4.120 -0.002 0.000 0.310 377 V C -0.714 175.242 176.094 -0.229 0.000 1.053 377 V CA -0.514 61.632 62.300 -0.257 0.000 0.957 377 V CB 1.628 33.327 31.823 -0.207 0.000 1.018 377 V HN 0.869 nan 8.190 nan 0.000 0.452 378 V N 4.937 124.745 119.914 -0.177 0.000 2.448 378 V HA 1.041 5.160 4.120 -0.002 0.000 0.295 378 V C 0.756 176.776 176.094 -0.123 0.000 1.025 378 V CA 0.516 62.730 62.300 -0.144 0.000 0.859 378 V CB 0.151 31.903 31.823 -0.119 0.000 0.988 378 V HN 1.801 nan 8.190 nan 0.000 0.431 379 G N 2.839 111.573 108.800 -0.109 0.000 2.247 379 G HA2 0.382 4.341 3.960 -0.002 0.000 0.229 379 G HA3 0.382 4.341 3.960 -0.002 0.000 0.229 379 G C -1.095 173.750 174.900 -0.092 0.000 1.345 379 G CA -0.497 44.544 45.100 -0.099 0.000 1.100 379 G HN 1.308 nan 8.290 nan 0.000 0.473 380 L N -1.371 119.800 121.223 -0.088 0.000 0.917 380 L HA -0.084 4.254 4.340 -0.002 0.000 0.366 380 L C 0.988 177.823 176.870 -0.058 0.000 1.004 380 L CA 1.720 56.516 54.840 -0.073 0.000 1.219 380 L CB -0.473 41.534 42.059 -0.087 0.000 0.252 380 L HN 1.077 nan 8.230 nan 0.000 0.192 381 K N 0.816 121.190 120.400 -0.043 0.000 2.485 381 K HA 0.254 4.573 4.320 -0.002 0.000 0.200 381 K C 1.055 177.638 176.600 -0.027 0.000 1.352 381 K CA 0.333 56.600 56.287 -0.032 0.000 0.953 381 K CB 0.253 32.740 32.500 -0.023 0.000 1.387 381 K HN 0.559 nan 8.250 nan 0.000 0.512 382 E N 0.739 120.923 120.200 -0.025 0.000 2.502 382 E HA 0.056 4.404 4.350 -0.002 0.000 0.194 382 E C -0.372 176.207 176.600 -0.034 0.000 1.062 382 E CA 0.451 56.836 56.400 -0.024 0.000 0.867 382 E CB 0.292 29.981 29.700 -0.018 0.000 0.888 382 E HN 0.078 nan 8.360 nan 0.000 0.510 383 T N 3.574 118.102 114.554 -0.044 0.000 2.855 383 T HA 0.235 4.584 4.350 -0.002 0.000 0.290 383 T C 0.971 175.646 174.700 -0.042 0.000 0.941 383 T CA -0.120 61.949 62.100 -0.051 0.000 1.030 383 T CB -0.270 68.559 68.868 -0.066 0.000 0.935 383 T HN 0.139 nan 8.240 nan 0.000 0.564 384 I N 0.085 120.637 120.570 -0.030 0.000 3.932 384 I HA 0.542 4.710 4.170 -0.002 0.000 0.256 384 I C 1.243 177.351 176.117 -0.015 0.000 1.408 384 I CA -1.154 60.134 61.300 -0.020 0.000 0.882 384 I CB -0.028 37.966 38.000 -0.010 0.000 1.657 384 I HN 0.305 nan 8.210 nan 0.000 0.733 385 T N 0.214 114.769 114.554 0.001 0.000 2.709 385 T HA 0.099 4.448 4.350 -0.002 0.000 0.345 385 T C 1.198 175.911 174.700 0.023 0.000 1.086 385 T CA 0.984 63.097 62.100 0.022 0.000 1.084 385 T CB -0.333 68.555 68.868 0.033 0.000 1.000 385 T HN 1.454 nan 8.240 nan 0.000 0.549 386 G N 2.296 111.125 108.800 0.049 0.000 2.393 386 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.304 386 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.304 386 G C 0.024 174.942 174.900 0.031 0.000 0.977 386 G CA 0.716 45.847 45.100 0.051 0.000 0.803 386 G HN 0.900 nan 8.290 nan 0.000 0.511 387 D N 0.542 120.949 120.400 0.012 0.000 2.264 387 D HA 0.360 4.999 4.640 -0.002 0.000 0.250 387 D C 0.559 176.857 176.300 -0.003 0.000 1.113 387 D CA 0.354 54.347 54.000 -0.012 0.000 0.871 387 D CB 1.083 41.859 40.800 -0.039 0.000 1.167 387 D HN 0.138 nan 8.370 nan 0.000 0.447 388 T N 2.219 116.768 114.554 -0.009 0.000 2.733 388 T HA 0.404 4.752 4.350 -0.002 0.000 0.294 388 T C 0.201 174.889 174.700 -0.019 0.000 0.956 388 T CA -0.679 61.428 62.100 0.012 0.000 0.987 388 T CB 0.669 69.546 68.868 0.015 0.000 0.920 388 T HN 0.052 nan 8.240 nan 0.000 0.470 389 L N 4.663 125.887 121.223 0.002 0.000 2.298 389 L HA 0.548 4.887 4.340 -0.002 0.000 0.284 389 L C 0.387 177.276 176.870 0.032 0.000 1.013 389 L CA -0.515 54.320 54.840 -0.009 0.000 0.824 389 L CB 1.395 43.443 42.059 -0.019 0.000 1.221 389 L HN 0.634 nan 8.230 nan 0.000 0.418 390 V N 0.167 120.116 119.914 0.058 0.000 3.420 390 V HA 0.917 5.036 4.120 -0.002 0.000 0.295 390 V C 0.680 176.842 176.094 0.114 0.000 1.201 390 V CA -0.648 61.706 62.300 0.090 0.000 0.995 390 V CB 0.706 32.595 31.823 0.109 0.000 1.244 390 V HN 0.655 nan 8.190 nan 0.000 0.466 391 G N -0.061 108.803 108.800 0.107 0.000 2.606 391 G HA2 0.387 4.346 3.960 -0.002 0.000 0.252 391 G HA3 0.387 4.346 3.960 -0.002 0.000 0.252 391 G C 0.342 175.319 174.900 0.129 0.000 1.206 391 G CA 0.148 45.309 45.100 0.100 0.000 0.861 391 G HN 1.089 nan 8.290 nan 0.000 0.561 392 E N -1.009 119.254 120.200 0.105 0.000 2.365 392 E HA 0.128 4.477 4.350 -0.002 0.000 0.188 392 E C -0.241 176.338 176.600 -0.034 0.000 1.102 392 E CA 0.251 56.692 56.400 0.070 0.000 0.927 392 E CB 0.206 29.953 29.700 0.078 0.000 1.073 392 E HN 0.459 nan 8.360 nan 0.000 0.467 393 D N -0.565 119.828 120.400 -0.012 0.000 2.058 393 D HA 0.064 4.703 4.640 -0.002 0.000 0.537 393 D C 0.468 176.767 176.300 -0.001 0.000 0.886 393 D CA 0.203 54.181 54.000 -0.035 0.000 1.044 393 D CB 0.108 40.889 40.800 -0.030 0.000 1.478 393 D HN 0.251 nan 8.370 nan 0.000 0.480 394 A N 2.171 125.011 122.820 0.033 0.000 2.504 394 A HA 0.271 4.590 4.320 -0.002 0.000 0.242 394 A C -2.265 175.351 177.584 0.053 0.000 1.100 394 A CA -0.088 51.976 52.037 0.046 0.000 0.786 394 A CB -0.597 18.441 19.000 0.063 0.000 1.050 394 A HN -0.138 nan 8.150 nan 0.000 0.512 395 P HA 0.149 nan 4.420 nan 0.000 0.269 395 P C -0.633 176.712 177.300 0.074 0.000 1.252 395 P CA 0.114 63.242 63.100 0.047 0.000 0.780 395 P CB 0.201 31.921 31.700 0.033 0.000 0.829 396 R N 2.667 123.228 120.500 0.102 0.000 3.097 396 R HA 0.094 4.432 4.340 -0.002 0.000 0.212 396 R C 0.547 176.905 176.300 0.096 0.000 1.651 396 R CA -0.102 56.094 56.100 0.160 0.000 1.134 396 R CB -0.921 29.527 30.300 0.247 0.000 1.241 396 R HN 0.342 nan 8.270 nan 0.000 0.640 397 V N -0.678 119.276 119.914 0.067 0.000 2.973 397 V HA 0.622 4.740 4.120 -0.002 0.000 0.314 397 V C 0.319 176.426 176.094 0.023 0.000 1.066 397 V CA -1.014 61.309 62.300 0.037 0.000 1.021 397 V CB 1.800 33.638 31.823 0.026 0.000 1.076 397 V HN 0.313 nan 8.190 nan 0.000 0.462 398 I N 2.355 122.931 120.570 0.011 0.000 2.499 398 I HA 0.372 4.541 4.170 -0.002 0.000 0.288 398 I C -0.418 175.699 176.117 0.001 0.000 1.048 398 I CA -0.612 60.690 61.300 0.004 0.000 1.062 398 I CB 1.749 39.747 38.000 -0.002 0.000 1.238 398 I HN 0.520 nan 8.210 nan 0.000 0.426 399 L N 4.839 126.066 121.223 0.006 0.000 2.420 399 L HA 0.151 4.490 4.340 -0.002 0.000 0.198 399 L C 1.527 178.390 176.870 -0.012 0.000 1.165 399 L CA 0.832 55.666 54.840 -0.010 0.000 0.863 399 L CB -0.181 41.880 42.059 0.004 0.000 1.371 399 L HN 0.687 nan 8.230 nan 0.000 0.536 400 E N -0.948 119.239 120.200 -0.022 0.000 2.156 400 E HA -0.028 4.321 4.350 -0.002 0.000 0.225 400 E C 0.950 177.548 176.600 -0.003 0.000 0.906 400 E CA 0.943 57.335 56.400 -0.014 0.000 0.988 400 E CB 0.556 30.244 29.700 -0.019 0.000 1.151 400 E HN 0.588 nan 8.360 nan 0.000 0.504 401 S N -0.743 114.954 115.700 -0.005 0.000 1.891 401 S HA -0.261 4.208 4.470 -0.002 0.000 0.224 401 S C 0.563 175.161 174.600 -0.004 0.000 0.993 401 S CA 1.216 59.416 58.200 0.000 0.000 1.595 401 S CB -1.450 61.764 63.200 0.024 0.000 2.103 401 S HN 0.465 nan 8.310 nan 0.000 0.555 402 I N 3.553 124.123 120.570 0.000 0.000 3.492 402 I HA -0.152 4.017 4.170 -0.002 0.000 0.310 402 I C 0.689 176.805 176.117 -0.002 0.000 1.254 402 I CA 1.462 62.763 61.300 0.001 0.000 1.378 402 I CB -0.740 37.262 38.000 0.003 0.000 1.457 402 I HN 0.301 nan 8.210 nan 0.000 0.524 403 E N 4.601 124.799 120.200 -0.004 0.000 2.221 403 E HA 0.646 4.995 4.350 -0.002 0.000 0.268 403 E C -0.515 176.086 176.600 0.002 0.000 0.933 403 E CA -0.947 55.449 56.400 -0.007 0.000 0.809 403 E CB 2.257 31.947 29.700 -0.017 0.000 1.190 403 E HN 0.181 nan 8.360 nan 0.000 0.406 404 V N 1.712 121.628 119.914 0.003 0.000 2.647 404 V HA 0.205 4.324 4.120 -0.002 0.000 0.305 404 V C -2.419 173.680 176.094 0.009 0.000 1.162 404 V CA -1.043 61.263 62.300 0.009 0.000 1.248 404 V CB 0.108 31.937 31.823 0.011 0.000 1.508 404 V HN 0.564 nan 8.190 nan 0.000 0.647 405 P HA 0.432 nan 4.420 nan 0.000 0.262 405 P C 0.278 177.586 177.300 0.013 0.000 1.620 405 P CA -0.200 62.904 63.100 0.006 0.000 1.089 405 P CB 0.693 32.395 31.700 0.004 0.000 1.601 406 E N 4.195 124.400 120.200 0.008 0.000 2.973 406 E HA 0.147 4.496 4.350 -0.002 0.000 0.279 406 E C -1.738 174.869 176.600 0.011 0.000 1.473 406 E CA -0.944 55.462 56.400 0.011 0.000 1.251 406 E CB -0.804 28.895 29.700 -0.001 0.000 1.063 406 E HN 0.354 nan 8.360 nan 0.000 0.685 407 P HA 0.108 nan 4.420 nan 0.000 0.287 407 P C -0.176 177.110 177.300 -0.023 0.000 1.296 407 P CA -0.380 62.730 63.100 0.018 0.000 0.811 407 P CB 1.282 33.005 31.700 0.037 0.000 1.211 408 V N -4.106 115.808 119.914 -0.001 0.000 3.264 408 V HA 0.436 4.554 4.120 -0.002 0.000 0.262 408 V C 0.156 176.269 176.094 0.031 0.000 1.616 408 V CA 0.163 62.453 62.300 -0.016 0.000 1.033 408 V CB 0.594 32.428 31.823 0.018 0.000 0.865 408 V HN 0.236 nan 8.190 nan 0.000 0.420 409 I N 2.357 122.949 120.570 0.037 0.000 2.610 409 I HA 0.679 4.848 4.170 -0.002 0.000 0.289 409 I C -1.687 174.456 176.117 0.042 0.000 1.163 409 I CA -0.043 61.267 61.300 0.016 0.000 1.044 409 I CB 1.943 39.938 38.000 -0.008 0.000 1.251 409 I HN 0.515 nan 8.210 nan 0.000 0.424 410 D N 5.175 125.612 120.400 0.062 0.000 2.585 410 D HA 0.847 5.485 4.640 -0.002 0.000 0.254 410 D C -0.937 175.500 176.300 0.229 0.000 1.067 410 D CA -0.590 53.474 54.000 0.107 0.000 1.090 410 D CB 2.481 43.325 40.800 0.075 0.000 1.408 410 D HN 0.103 nan 8.370 nan 0.000 0.554 411 V N -0.464 119.554 119.914 0.173 0.000 3.204 411 V HA 0.671 4.789 4.120 -0.002 0.000 0.298 411 V C -1.055 175.080 176.094 0.070 0.000 1.328 411 V CA -1.164 61.248 62.300 0.186 0.000 1.035 411 V CB 2.029 33.943 31.823 0.152 0.000 1.095 411 V HN 0.836 nan 8.190 nan 0.000 0.442 412 A N 2.607 125.440 122.820 0.022 0.000 2.409 412 A HA 0.740 5.059 4.320 -0.002 0.000 0.262 412 A C -0.735 176.846 177.584 -0.004 0.000 1.113 412 A CA 0.156 52.192 52.037 -0.001 0.000 0.790 412 A CB 0.162 19.143 19.000 -0.031 0.000 1.046 412 A HN 0.926 nan 8.150 nan 0.000 0.496 413 I N 2.063 122.628 120.570 -0.009 0.000 2.493 413 I HA 0.300 4.469 4.170 -0.002 0.000 0.279 413 I C -0.714 175.393 176.117 -0.017 0.000 1.045 413 I CA -0.489 60.801 61.300 -0.016 0.000 1.106 413 I CB 1.120 39.104 38.000 -0.028 0.000 1.216 413 I HN 0.696 nan 8.210 nan 0.000 0.459 414 E N 9.174 129.365 120.200 -0.014 0.000 2.092 414 E HA 0.355 4.704 4.350 -0.002 0.000 0.271 414 E C -2.254 174.339 176.600 -0.013 0.000 0.919 414 E CA -1.987 54.404 56.400 -0.014 0.000 0.760 414 E CB 0.824 30.517 29.700 -0.012 0.000 1.106 414 E HN 0.378 nan 8.360 nan 0.000 0.408 415 P HA -0.142 nan 4.420 nan 0.000 0.251 415 P C 0.210 177.506 177.300 -0.007 0.000 1.624 415 P CA 0.216 63.309 63.100 -0.012 0.000 0.907 415 P CB -0.086 31.603 31.700 -0.018 0.000 1.867 416 K N 0.489 120.885 120.400 -0.006 0.000 2.498 416 K HA -0.194 4.125 4.320 -0.002 0.000 0.168 416 K C 0.341 176.939 176.600 -0.004 0.000 1.439 416 K CA 1.914 58.199 56.287 -0.004 0.000 0.793 416 K CB -1.826 30.674 32.500 -0.000 0.000 0.600 416 K HN 0.434 nan 8.250 nan 0.000 0.992 417 T N 1.312 115.865 114.554 -0.003 0.000 2.923 417 T HA -0.006 4.343 4.350 -0.002 0.000 0.320 417 T C 1.248 175.946 174.700 -0.004 0.000 1.074 417 T CA 0.391 62.489 62.100 -0.003 0.000 1.131 417 T CB 0.391 69.258 68.868 -0.002 0.000 1.058 417 T HN 0.379 nan 8.240 nan 0.000 0.535 418 K N 1.799 122.197 120.400 -0.005 0.000 2.444 418 K HA -0.167 4.152 4.320 -0.002 0.000 0.200 418 K C 2.306 178.903 176.600 -0.004 0.000 1.045 418 K CA 1.347 57.631 56.287 -0.005 0.000 0.934 418 K CB -1.446 31.051 32.500 -0.006 0.000 0.756 418 K HN 0.820 nan 8.250 nan 0.000 0.477 419 A N 2.322 125.141 122.820 -0.001 0.000 1.851 419 A HA -0.209 4.110 4.320 -0.002 0.000 0.216 419 A C 1.700 179.285 177.584 0.002 0.000 1.195 419 A CA 1.996 54.034 52.037 0.001 0.000 0.622 419 A CB -0.515 18.487 19.000 0.003 0.000 0.831 419 A HN 0.251 nan 8.150 nan 0.000 0.444 420 D N -0.658 119.744 120.400 0.003 0.000 2.178 420 D HA -0.152 4.487 4.640 -0.002 0.000 0.201 420 D C 1.888 178.185 176.300 -0.005 0.000 0.980 420 D CA 1.062 55.064 54.000 0.004 0.000 0.842 420 D CB -0.464 40.340 40.800 0.006 0.000 0.948 420 D HN 0.493 nan 8.370 nan 0.000 0.472 421 Q N 0.488 120.283 119.800 -0.009 0.000 2.325 421 Q HA -0.235 4.103 4.340 -0.002 0.000 0.211 421 Q C 1.234 177.223 176.000 -0.019 0.000 0.988 421 Q CA 1.283 57.077 55.803 -0.015 0.000 0.887 421 Q CB 0.123 28.853 28.738 -0.013 0.000 0.915 421 Q HN 0.500 nan 8.270 nan 0.000 0.440 422 E N -0.566 119.627 120.200 -0.012 0.000 2.099 422 E HA -0.024 4.325 4.350 -0.002 0.000 0.191 422 E C 1.874 178.469 176.600 -0.010 0.000 0.962 422 E CA 0.122 56.516 56.400 -0.010 0.000 0.826 422 E CB 0.080 29.779 29.700 -0.003 0.000 0.788 422 E HN 0.125 nan 8.360 nan 0.000 0.461 423 K N 0.689 121.091 120.400 0.002 0.000 2.286 423 K HA -0.169 4.150 4.320 -0.002 0.000 0.203 423 K C 1.971 178.560 176.600 -0.019 0.000 1.045 423 K CA 0.547 56.846 56.287 0.020 0.000 0.935 423 K CB 0.006 32.532 32.500 0.043 0.000 0.737 423 K HN 0.020 nan 8.250 nan 0.000 0.460 424 L N 0.354 121.550 121.223 -0.044 0.000 2.131 424 L HA -0.052 4.287 4.340 -0.002 0.000 0.206 424 L C 1.860 178.666 176.870 -0.107 0.000 1.087 424 L CA 1.597 56.380 54.840 -0.095 0.000 0.767 424 L CB -0.424 41.593 42.059 -0.070 0.000 0.917 424 L HN -0.048 nan 8.230 nan 0.000 0.441 425 S N -0.630 115.032 115.700 -0.064 0.000 2.370 425 S HA -0.260 4.209 4.470 -0.002 0.000 0.226 425 S C 1.902 176.467 174.600 -0.058 0.000 1.033 425 S CA 1.540 59.706 58.200 -0.057 0.000 1.011 425 S CB -0.216 62.963 63.200 -0.034 0.000 0.852 425 S HN 0.496 nan 8.310 nan 0.000 0.457 426 Q N 0.875 120.647 119.800 -0.046 0.000 2.079 426 Q HA 0.090 4.429 4.340 -0.002 0.000 0.200 426 Q C 2.316 178.256 176.000 -0.100 0.000 0.974 426 Q CA 1.221 57.007 55.803 -0.029 0.000 0.840 426 Q CB -0.547 28.205 28.738 0.024 0.000 0.898 426 Q HN 0.525 nan 8.270 nan 0.000 0.430 427 A N 0.652 123.337 122.820 -0.224 0.000 1.881 427 A HA -0.269 4.050 4.320 -0.002 0.000 0.219 427 A C 1.930 179.274 177.584 -0.400 0.000 1.215 427 A CA 2.251 53.928 52.037 -0.599 0.000 0.648 427 A CB -1.189 17.458 19.000 -0.589 0.000 0.832 427 A HN 0.488 nan 8.150 nan 0.000 0.455 428 L N -2.630 118.470 121.223 -0.204 0.000 2.418 428 L HA 0.302 4.641 4.340 -0.002 0.000 0.218 428 L C 2.403 179.278 176.870 0.007 0.000 1.125 428 L CA 0.873 55.680 54.840 -0.056 0.000 0.835 428 L CB -0.591 41.418 42.059 -0.084 0.000 0.953 428 L HN 0.244 nan 8.230 nan 0.000 0.454 429 A N 0.667 123.473 122.820 -0.023 0.000 2.216 429 A HA -0.083 4.235 4.320 -0.002 0.000 0.214 429 A C 2.462 180.062 177.584 0.027 0.000 1.160 429 A CA 1.368 53.410 52.037 0.007 0.000 0.725 429 A CB -0.444 18.555 19.000 -0.002 0.000 0.784 429 A HN 0.568 nan 8.150 nan 0.000 0.472 430 R N -2.283 118.235 120.500 0.030 0.000 2.573 430 R HA 0.230 4.568 4.340 -0.002 0.000 0.224 430 R C 1.222 177.554 176.300 0.054 0.000 0.904 430 R CA 0.083 56.214 56.100 0.051 0.000 0.995 430 R CB -0.061 30.291 30.300 0.087 0.000 1.430 430 R HN 0.291 nan 8.270 nan 0.000 0.631 431 L N 0.978 122.228 121.223 0.045 0.000 2.418 431 L HA 0.305 4.644 4.340 -0.002 0.000 0.218 431 L C 1.802 178.689 176.870 0.028 0.000 1.125 431 L CA 1.411 56.274 54.840 0.039 0.000 0.835 431 L CB 0.264 42.334 42.059 0.017 0.000 0.953 431 L HN 0.280 nan 8.230 nan 0.000 0.454 432 A N -1.453 121.481 122.820 0.190 0.000 2.123 432 A HA -0.018 4.301 4.320 -0.002 0.000 0.214 432 A C 2.036 179.632 177.584 0.021 0.000 1.152 432 A CA 0.913 53.117 52.037 0.278 0.000 0.728 432 A CB -0.202 19.032 19.000 0.390 0.000 0.814 432 A HN 0.528 nan 8.150 nan 0.000 0.464 433 E N -0.959 119.238 120.200 -0.005 0.000 2.290 433 E HA -0.005 4.343 4.350 -0.002 0.000 0.197 433 E C 1.287 177.857 176.600 -0.049 0.000 0.948 433 E CA 0.174 56.566 56.400 -0.013 0.000 0.895 433 E CB 0.112 29.816 29.700 0.007 0.000 0.865 433 E HN 0.664 nan 8.360 nan 0.000 0.486 434 E N 1.038 121.198 120.200 -0.066 0.000 2.494 434 E HA -0.071 4.278 4.350 -0.002 0.000 0.193 434 E C -0.581 175.934 176.600 -0.142 0.000 1.074 434 E CA 0.131 56.490 56.400 -0.067 0.000 0.867 434 E CB 0.424 30.107 29.700 -0.028 0.000 0.924 434 E HN -0.048 nan 8.360 nan 0.000 0.502 435 D N -0.365 119.880 120.400 -0.258 0.000 2.484 435 D HA 0.018 4.657 4.640 -0.002 0.000 0.223 435 D C -2.624 173.380 176.300 -0.493 0.000 1.350 435 D CA -0.944 52.839 54.000 -0.362 0.000 0.940 435 D CB 1.005 41.548 40.800 -0.428 0.000 1.525 435 D HN -0.075 nan 8.370 nan 0.000 0.504 436 P HA 0.129 nan 4.420 nan 0.000 0.236 436 P C 0.584 177.863 177.300 -0.035 0.000 1.709 436 P CA -0.021 63.016 63.100 -0.106 0.000 0.942 436 P CB -0.629 31.056 31.700 -0.024 0.000 1.615 437 T N -2.574 111.929 114.554 -0.085 0.000 3.243 437 T HA 0.358 4.707 4.350 -0.002 0.000 0.264 437 T C 0.149 174.992 174.700 0.239 0.000 1.000 437 T CA -0.638 61.494 62.100 0.053 0.000 0.901 437 T CB -1.157 67.721 68.868 0.017 0.000 1.083 437 T HN 0.241 nan 8.240 nan 0.000 0.559 438 F N -0.959 119.030 119.950 0.066 0.000 2.789 438 F HA 0.796 5.321 4.527 -0.002 0.000 0.319 438 F C -1.697 174.110 175.800 0.010 0.000 1.168 438 F CA -1.963 56.068 58.000 0.052 0.000 0.934 438 F CB 1.411 40.429 39.000 0.029 0.000 1.375 438 F HN -0.200 nan 8.300 nan 0.000 0.480 439 R N 1.343 121.786 120.500 -0.095 0.000 2.604 439 R HA 0.576 4.914 4.340 -0.002 0.000 0.270 439 R C -1.970 174.044 176.300 -0.477 0.000 1.052 439 R CA -1.083 54.867 56.100 -0.249 0.000 0.902 439 R CB 3.014 33.280 30.300 -0.057 0.000 1.233 439 R HN 0.561 nan 8.270 nan 0.000 0.455 440 V N 0.922 120.580 119.914 -0.427 0.000 2.417 440 V HA 0.590 4.709 4.120 -0.002 0.000 0.291 440 V C -0.123 175.856 176.094 -0.192 0.000 1.024 440 V CA -0.816 61.273 62.300 -0.351 0.000 0.861 440 V CB 1.359 32.980 31.823 -0.338 0.000 0.985 440 V HN 0.890 nan 8.190 nan 0.000 0.436 441 S N 2.001 117.609 115.700 -0.153 0.000 2.557 441 S HA 0.628 5.097 4.470 -0.002 0.000 0.291 441 S C -0.435 174.118 174.600 -0.079 0.000 1.116 441 S CA -0.603 57.532 58.200 -0.108 0.000 0.992 441 S CB 1.747 64.882 63.200 -0.109 0.000 1.028 441 S HN 0.640 nan 8.310 nan 0.000 0.484 442 T N 3.656 118.178 114.554 -0.053 0.000 2.733 442 T HA 0.253 4.602 4.350 -0.002 0.000 0.294 442 T C -0.096 174.616 174.700 0.019 0.000 0.956 442 T CA -0.250 61.842 62.100 -0.015 0.000 0.987 442 T CB 0.053 68.911 68.868 -0.017 0.000 0.920 442 T HN 0.726 nan 8.240 nan 0.000 0.470 443 H N 6.939 125.982 119.070 -0.045 0.000 3.267 443 H HA -0.023 4.532 4.556 -0.002 0.000 0.239 443 H C -1.304 173.995 175.328 -0.048 0.000 0.836 443 H CA -1.542 54.480 56.048 -0.044 0.000 1.388 443 H CB 0.715 30.456 29.762 -0.036 0.000 1.505 443 H HN 0.384 nan 8.280 nan 0.000 0.510 444 P HA -0.119 nan 4.420 nan 0.000 0.234 444 P C 0.469 177.800 177.300 0.052 0.000 1.162 444 P CA 0.934 64.074 63.100 0.066 0.000 0.759 444 P CB 0.545 32.255 31.700 0.017 0.000 0.813 445 E N -1.873 118.375 120.200 0.081 0.000 2.536 445 E HA 0.082 4.430 4.350 -0.002 0.000 0.220 445 E C 0.315 176.837 176.600 -0.129 0.000 0.876 445 E CA 0.480 56.841 56.400 -0.064 0.000 1.190 445 E CB 0.852 30.468 29.700 -0.140 0.000 1.191 445 E HN 0.046 nan 8.360 nan 0.000 0.557 446 T N -0.177 114.291 114.554 -0.143 0.000 3.365 446 T HA 0.373 4.722 4.350 -0.002 0.000 0.290 446 T C 0.844 175.504 174.700 -0.068 0.000 0.941 446 T CA 0.479 62.494 62.100 -0.142 0.000 1.522 446 T CB -0.114 68.605 68.868 -0.249 0.000 0.865 446 T HN 0.232 nan 8.240 nan 0.000 0.572 447 G N 3.852 112.636 108.800 -0.026 0.000 3.191 447 G HA2 -0.437 3.522 3.960 -0.002 0.000 0.357 447 G HA3 -0.437 3.522 3.960 -0.002 0.000 0.357 447 G C 0.461 175.370 174.900 0.014 0.000 1.651 447 G CA 1.500 46.596 45.100 -0.007 0.000 1.737 447 G HN 1.331 nan 8.290 nan 0.000 0.865 448 Q N 0.471 120.278 119.800 0.012 0.000 3.102 448 Q HA 0.172 4.511 4.340 -0.002 0.000 0.402 448 Q C -0.728 175.298 176.000 0.042 0.000 1.186 448 Q CA 1.208 57.026 55.803 0.025 0.000 1.124 448 Q CB -0.340 28.416 28.738 0.029 0.000 1.200 448 Q HN 0.384 nan 8.270 nan 0.000 0.517 449 T N 4.164 118.723 114.554 0.008 0.000 2.797 449 T HA 0.569 4.918 4.350 -0.002 0.000 0.279 449 T C 0.165 174.848 174.700 -0.028 0.000 0.991 449 T CA -0.732 61.357 62.100 -0.018 0.000 0.979 449 T CB 0.722 69.559 68.868 -0.051 0.000 0.943 449 T HN 0.489 nan 8.240 nan 0.000 0.444 450 I N 2.854 123.397 120.570 -0.044 0.000 2.612 450 I HA 0.436 4.605 4.170 -0.002 0.000 0.295 450 I C 0.132 176.194 176.117 -0.092 0.000 1.011 450 I CA -0.719 60.554 61.300 -0.045 0.000 1.326 450 I CB 1.166 39.134 38.000 -0.053 0.000 1.427 450 I HN 0.536 nan 8.210 nan 0.000 0.537 451 I N 4.157 124.683 120.570 -0.072 0.000 2.405 451 I HA 0.213 4.381 4.170 -0.002 0.000 0.280 451 I C -0.005 176.066 176.117 -0.077 0.000 1.027 451 I CA -0.134 61.094 61.300 -0.120 0.000 1.161 451 I CB 1.113 39.066 38.000 -0.079 0.000 1.300 451 I HN 0.509 nan 8.210 nan 0.000 0.463 452 S N 5.349 120.972 115.700 -0.128 0.000 2.465 452 S HA 0.581 5.049 4.470 -0.002 0.000 0.280 452 S C 0.330 174.977 174.600 0.079 0.000 1.232 452 S CA 0.176 58.357 58.200 -0.032 0.000 1.066 452 S CB 0.155 63.324 63.200 -0.051 0.000 0.929 452 S HN 0.878 nan 8.310 nan 0.000 0.494 453 G N 3.564 112.443 108.800 0.133 0.000 3.119 453 G HA2 0.646 4.604 3.960 -0.002 0.000 0.206 453 G HA3 0.646 4.604 3.960 -0.002 0.000 0.206 453 G C -0.209 174.843 174.900 0.253 0.000 1.313 453 G CA -0.728 44.557 45.100 0.309 0.000 1.010 453 G HN 0.686 nan 8.290 nan 0.000 0.578 454 M N -0.096 119.631 119.600 0.212 0.000 3.340 454 M HA 0.399 4.878 4.480 -0.002 0.000 0.471 454 M C 0.023 176.364 176.300 0.068 0.000 1.550 454 M CA -0.047 55.276 55.300 0.038 0.000 0.754 454 M CB 1.710 34.250 32.600 -0.100 0.000 1.485 454 M HN 0.941 nan 8.290 nan 0.000 0.530 455 G N 0.457 109.329 108.800 0.120 0.000 2.368 455 G HA2 0.064 4.022 3.960 -0.002 0.000 0.301 455 G HA3 0.064 4.022 3.960 -0.002 0.000 0.301 455 G C -0.372 174.609 174.900 0.136 0.000 1.640 455 G CA -0.573 44.599 45.100 0.121 0.000 0.941 455 G HN 0.255 nan 8.290 nan 0.000 0.695 456 E N 0.382 120.631 120.200 0.083 0.000 1.998 456 E HA -0.233 4.116 4.350 -0.002 0.000 0.221 456 E C 2.476 179.135 176.600 0.099 0.000 1.018 456 E CA 2.093 58.534 56.400 0.068 0.000 0.891 456 E CB -0.304 29.420 29.700 0.039 0.000 0.807 456 E HN 0.561 nan 8.360 nan 0.000 0.523 457 L N 0.088 121.375 121.223 0.108 0.000 2.143 457 L HA -0.367 3.972 4.340 -0.002 0.000 0.231 457 L C 2.753 179.689 176.870 0.110 0.000 1.106 457 L CA 2.143 57.057 54.840 0.123 0.000 0.827 457 L CB -1.438 40.732 42.059 0.185 0.000 0.915 457 L HN 0.450 nan 8.230 nan 0.000 0.448 458 H N 0.177 119.232 119.070 -0.025 0.000 2.355 458 H HA -0.206 4.349 4.556 -0.002 0.000 0.293 458 H C 2.027 177.295 175.328 -0.100 0.000 1.060 458 H CA 2.457 58.385 56.048 -0.200 0.000 1.167 458 H CB -0.514 29.120 29.762 -0.213 0.000 1.376 458 H HN 0.066 nan 8.280 nan 0.000 0.549 459 L N 0.853 122.039 121.223 -0.061 0.000 2.043 459 L HA -0.198 4.141 4.340 -0.002 0.000 0.212 459 L C 2.672 179.509 176.870 -0.055 0.000 1.075 459 L CA 2.154 56.931 54.840 -0.104 0.000 0.752 459 L CB -0.907 41.151 42.059 -0.003 0.000 0.891 459 L HN 0.504 nan 8.230 nan 0.000 0.432 460 E N 0.481 120.679 120.200 -0.003 0.000 2.035 460 E HA -0.293 4.056 4.350 -0.002 0.000 0.204 460 E C 2.143 178.742 176.600 -0.002 0.000 1.025 460 E CA 2.227 58.634 56.400 0.012 0.000 0.835 460 E CB -0.209 29.512 29.700 0.034 0.000 0.764 460 E HN 0.563 nan 8.360 nan 0.000 0.457 461 I N -0.397 120.168 120.570 -0.009 0.000 2.657 461 I HA -0.195 3.973 4.170 -0.002 0.000 0.261 461 I C 2.075 178.181 176.117 -0.019 0.000 1.212 461 I CA 1.264 62.559 61.300 -0.008 0.000 1.453 461 I CB -0.398 37.602 38.000 0.001 0.000 1.092 461 I HN 0.169 nan 8.210 nan 0.000 0.452 462 I N 0.159 120.698 120.570 -0.050 0.000 2.400 462 I HA -0.122 4.047 4.170 -0.002 0.000 0.248 462 I C 2.272 178.400 176.117 0.018 0.000 1.109 462 I CA 0.649 61.931 61.300 -0.031 0.000 1.425 462 I CB -0.074 37.880 38.000 -0.076 0.000 1.094 462 I HN 0.080 nan 8.210 nan 0.000 0.425 463 V N 1.245 121.162 119.914 0.004 0.000 2.944 463 V HA -0.306 3.813 4.120 -0.002 0.000 0.265 463 V C 1.886 178.004 176.094 0.040 0.000 1.125 463 V CA 2.226 64.539 62.300 0.022 0.000 1.145 463 V CB -0.874 30.958 31.823 0.016 0.000 0.725 463 V HN 0.537 nan 8.190 nan 0.000 0.510 464 D N -0.465 119.960 120.400 0.042 0.000 2.269 464 D HA -0.066 4.573 4.640 -0.002 0.000 0.220 464 D C 2.390 178.734 176.300 0.073 0.000 0.962 464 D CA 0.591 54.618 54.000 0.045 0.000 0.884 464 D CB 0.009 40.826 40.800 0.028 0.000 1.023 464 D HN 0.135 nan 8.370 nan 0.000 0.484 465 R N -0.203 120.356 120.500 0.098 0.000 2.062 465 R HA -0.018 4.320 4.340 -0.002 0.000 0.229 465 R C 2.157 178.706 176.300 0.416 0.000 1.128 465 R CA 0.566 56.758 56.100 0.155 0.000 0.960 465 R CB -0.602 29.796 30.300 0.164 0.000 0.855 465 R HN 0.267 nan 8.270 nan 0.000 0.432 466 L N 1.624 123.085 121.223 0.396 0.000 2.275 466 L HA -0.121 4.217 4.340 -0.002 0.000 0.215 466 L C 2.183 179.226 176.870 0.289 0.000 1.119 466 L CA 1.641 56.694 54.840 0.354 0.000 0.790 466 L CB -0.212 41.844 42.059 -0.006 0.000 0.919 466 L HN 0.060 nan 8.230 nan 0.000 0.443 467 K N -2.200 118.316 120.400 0.194 0.000 2.348 467 K HA 0.047 4.366 4.320 -0.002 0.000 0.194 467 K C 1.939 178.598 176.600 0.098 0.000 1.052 467 K CA -0.100 56.258 56.287 0.118 0.000 1.004 467 K CB 0.358 32.898 32.500 0.067 0.000 0.873 467 K HN 0.085 nan 8.250 nan 0.000 0.523 468 R N 1.014 121.565 120.500 0.085 0.000 2.015 468 R HA 0.068 4.407 4.340 -0.002 0.000 0.212 468 R C 1.249 177.515 176.300 -0.057 0.000 1.304 468 R CA 0.950 57.058 56.100 0.012 0.000 1.040 468 R CB -0.449 29.845 30.300 -0.011 0.000 0.915 468 R HN 0.041 nan 8.270 nan 0.000 0.465 469 E N 0.193 120.282 120.200 -0.184 0.000 2.527 469 E HA -0.067 4.281 4.350 -0.002 0.000 0.204 469 E C 0.081 176.185 176.600 -0.827 0.000 1.132 469 E CA 0.680 56.780 56.400 -0.500 0.000 0.905 469 E CB -0.104 29.192 29.700 -0.673 0.000 0.875 469 E HN 0.242 nan 8.360 nan 0.000 0.548 470 F N -1.396 118.550 119.950 -0.006 0.000 3.021 470 F HA 0.241 4.767 4.527 -0.002 0.000 0.376 470 F C 1.002 176.800 175.800 -0.005 0.000 1.075 470 F CA -0.514 57.483 58.000 -0.005 0.000 1.073 470 F CB 0.376 39.374 39.000 -0.003 0.000 1.243 470 F HN -0.213 nan 8.300 nan 0.000 0.540 471 K N 1.134 121.604 120.400 0.116 0.000 3.086 471 K HA -0.203 4.116 4.320 -0.002 0.000 0.288 471 K C -0.324 176.326 176.600 0.082 0.000 1.127 471 K CA 0.506 56.836 56.287 0.072 0.000 0.854 471 K CB -0.915 31.607 32.500 0.037 0.000 1.213 471 K HN 0.088 nan 8.250 nan 0.000 0.456 472 V N 1.565 121.550 119.914 0.117 0.000 2.637 472 V HA 0.082 4.201 4.120 -0.002 0.000 0.296 472 V C 0.404 176.527 176.094 0.048 0.000 1.046 472 V CA 0.301 62.643 62.300 0.070 0.000 1.066 472 V CB 1.375 33.230 31.823 0.052 0.000 0.968 472 V HN 0.150 nan 8.190 nan 0.000 0.483 473 D N 3.846 124.263 120.400 0.029 0.000 2.375 473 D HA 0.606 5.244 4.640 -0.002 0.000 0.259 473 D C -0.059 176.248 176.300 0.011 0.000 1.235 473 D CA 0.137 54.149 54.000 0.021 0.000 0.924 473 D CB 1.946 42.757 40.800 0.020 0.000 1.143 473 D HN 0.689 nan 8.370 nan 0.000 0.529 474 A N 2.293 125.118 122.820 0.008 0.000 2.464 474 A HA 0.654 4.972 4.320 -0.002 0.000 0.268 474 A C -0.230 177.354 177.584 0.000 0.000 1.244 474 A CA -0.750 51.288 52.037 0.001 0.000 0.871 474 A CB 1.219 20.216 19.000 -0.005 0.000 1.400 474 A HN 0.304 nan 8.150 nan 0.000 0.455 475 N N -0.152 118.546 118.700 -0.004 0.000 2.466 475 N HA 0.505 5.244 4.740 -0.002 0.000 0.294 475 N C -1.135 174.372 175.510 -0.005 0.000 1.129 475 N CA -0.170 52.877 53.050 -0.005 0.000 0.931 475 N CB 1.868 40.350 38.487 -0.009 0.000 1.193 475 N HN 0.700 nan 8.380 nan 0.000 0.500 476 V N -1.568 118.343 119.914 -0.004 0.000 2.454 476 V HA 0.668 4.787 4.120 -0.002 0.000 0.267 476 V C 0.489 176.574 176.094 -0.015 0.000 0.993 476 V CA -0.772 61.528 62.300 -0.001 0.000 0.836 476 V CB 0.605 32.438 31.823 0.016 0.000 1.055 476 V HN 0.717 nan 8.190 nan 0.000 0.452 477 G N 3.776 112.552 108.800 -0.041 0.000 2.890 477 G HA2 0.755 4.714 3.960 -0.002 0.000 0.189 477 G HA3 0.755 4.714 3.960 -0.002 0.000 0.189 477 G C -0.508 174.292 174.900 -0.166 0.000 1.342 477 G CA -0.679 44.367 45.100 -0.091 0.000 1.026 477 G HN 0.856 nan 8.290 nan 0.000 0.579 478 K N -0.565 119.667 120.400 -0.279 0.000 2.400 478 K HA 0.661 4.979 4.320 -0.002 0.000 0.246 478 K C -2.979 173.477 176.600 -0.240 0.000 0.995 478 K CA -1.620 54.386 56.287 -0.468 0.000 0.840 478 K CB 1.855 33.648 32.500 -1.179 0.000 1.293 478 K HN 0.125 nan 8.250 nan 0.000 0.445 479 P HA -0.043 nan 4.420 nan 0.000 0.272 479 P C -0.770 176.522 177.300 -0.014 0.000 1.243 479 P CA -0.182 62.914 63.100 -0.006 0.000 0.803 479 P CB 0.387 32.130 31.700 0.072 0.000 0.974 480 Q N -0.518 119.308 119.800 0.043 0.000 2.194 480 Q HA 0.549 4.888 4.340 -0.002 0.000 0.245 480 Q C -0.763 175.249 176.000 0.020 0.000 0.993 480 Q CA -0.777 55.037 55.803 0.018 0.000 0.930 480 Q CB 0.997 29.748 28.738 0.021 0.000 1.238 480 Q HN 0.252 nan 8.270 nan 0.000 0.486 481 V N -2.340 117.521 119.914 -0.088 0.000 2.540 481 V HA 0.664 4.783 4.120 -0.002 0.000 0.302 481 V C 0.004 175.988 176.094 -0.182 0.000 1.035 481 V CA -1.286 60.897 62.300 -0.195 0.000 0.873 481 V CB 1.196 32.765 31.823 -0.423 0.000 0.992 481 V HN 0.802 nan 8.190 nan 0.000 0.428 482 A N 4.101 126.923 122.820 0.003 0.000 3.051 482 A HA 0.405 4.724 4.320 -0.002 0.000 0.275 482 A C 0.050 177.772 177.584 0.229 0.000 1.900 482 A CA 0.046 52.155 52.037 0.121 0.000 1.496 482 A CB -1.311 17.754 19.000 0.108 0.000 1.013 482 A HN 0.743 nan 8.150 nan 0.000 0.611 483 Y N 0.804 121.333 120.300 0.382 0.000 2.279 483 Y HA 0.457 5.006 4.550 -0.002 0.000 0.350 483 Y C 1.136 177.122 175.900 0.143 0.000 1.288 483 Y CA 0.188 58.433 58.100 0.240 0.000 1.547 483 Y CB 0.495 39.047 38.460 0.153 0.000 1.381 483 Y HN 0.446 nan 8.280 nan 0.000 0.630 484 R N 0.539 121.121 120.500 0.138 0.000 2.626 484 R HA 0.317 4.656 4.340 -0.002 0.000 0.274 484 R C -1.221 175.066 176.300 -0.021 0.000 1.031 484 R CA -0.969 55.092 56.100 -0.065 0.000 0.898 484 R CB 2.033 32.060 30.300 -0.454 0.000 1.222 484 R HN 0.677 nan 8.270 nan 0.000 0.455 485 E N 0.660 120.857 120.200 -0.005 0.000 2.212 485 E HA 0.615 4.963 4.350 -0.002 0.000 0.270 485 E C -0.330 176.265 176.600 -0.008 0.000 0.956 485 E CA -0.513 55.884 56.400 -0.005 0.000 0.825 485 E CB 2.675 32.382 29.700 0.013 0.000 1.167 485 E HN 0.507 nan 8.360 nan 0.000 0.400 486 T N 0.196 114.749 114.554 -0.002 0.000 2.661 486 T HA 0.425 4.773 4.350 -0.002 0.000 0.303 486 T C -1.659 173.048 174.700 0.013 0.000 1.658 486 T CA -0.620 61.488 62.100 0.013 0.000 0.974 486 T CB 0.839 69.719 68.868 0.020 0.000 1.857 486 T HN 0.448 nan 8.240 nan 0.000 0.475 487 I N -0.513 120.070 120.570 0.022 0.000 3.343 487 I HA 0.663 4.831 4.170 -0.002 0.000 0.315 487 I C 0.923 177.052 176.117 0.021 0.000 1.153 487 I CA -0.453 60.858 61.300 0.018 0.000 0.952 487 I CB 0.710 38.722 38.000 0.020 0.000 1.287 487 I HN 0.863 nan 8.210 nan 0.000 0.472 488 T N -0.386 114.178 114.554 0.017 0.000 3.053 488 T HA 0.198 4.546 4.350 -0.002 0.000 0.236 488 T C 0.753 175.464 174.700 0.018 0.000 0.996 488 T CA 0.230 62.341 62.100 0.017 0.000 1.185 488 T CB -0.287 68.588 68.868 0.012 0.000 0.892 488 T HN 0.785 nan 8.240 nan 0.000 0.432 489 K N 2.747 123.156 120.400 0.016 0.000 2.174 489 K HA 0.562 4.881 4.320 -0.002 0.000 0.275 489 K C -3.236 173.375 176.600 0.018 0.000 1.015 489 K CA -2.098 54.197 56.287 0.015 0.000 0.933 489 K CB 0.913 33.420 32.500 0.011 0.000 1.025 489 K HN 0.057 nan 8.250 nan 0.000 0.463 490 P HA 0.180 nan 4.420 nan 0.000 0.284 490 P C -1.000 176.312 177.300 0.020 0.000 1.253 490 P CA -0.558 62.555 63.100 0.021 0.000 0.800 490 P CB 1.310 33.019 31.700 0.015 0.000 0.961 491 V N 1.843 121.774 119.914 0.029 0.000 3.160 491 V HA 0.540 4.659 4.120 -0.002 0.000 0.310 491 V C -0.986 175.136 176.094 0.047 0.000 1.181 491 V CA -0.635 61.684 62.300 0.031 0.000 1.047 491 V CB 2.613 34.455 31.823 0.031 0.000 1.068 491 V HN 0.398 nan 8.190 nan 0.000 0.441 492 D N 0.520 120.953 120.400 0.056 0.000 2.855 492 D HA 0.636 5.275 4.640 -0.002 0.000 0.241 492 D C -0.792 175.565 176.300 0.095 0.000 1.277 492 D CA -0.212 53.847 54.000 0.098 0.000 0.918 492 D CB 2.313 43.170 40.800 0.096 0.000 1.462 492 D HN 0.670 nan 8.370 nan 0.000 0.559 493 V N -0.963 119.006 119.914 0.091 0.000 3.158 493 V HA 0.623 4.741 4.120 -0.002 0.000 0.311 493 V C -0.275 175.850 176.094 0.052 0.000 1.181 493 V CA -0.999 61.341 62.300 0.065 0.000 1.054 493 V CB 2.046 33.896 31.823 0.045 0.000 1.085 493 V HN 0.409 nan 8.190 nan 0.000 0.446 494 E N 0.057 120.280 120.200 0.038 0.000 2.283 494 E HA 0.622 4.970 4.350 -0.002 0.000 0.271 494 E C -0.287 176.307 176.600 -0.010 0.000 1.031 494 E CA -0.274 56.134 56.400 0.014 0.000 0.868 494 E CB 1.724 31.462 29.700 0.063 0.000 1.094 494 E HN 1.148 nan 8.360 nan 0.000 0.401 495 G N 3.306 112.063 108.800 -0.072 0.000 2.938 495 G HA2 0.273 4.231 3.960 -0.002 0.000 0.308 495 G HA3 0.273 4.231 3.960 -0.002 0.000 0.308 495 G C -0.803 174.074 174.900 -0.039 0.000 1.422 495 G CA -0.333 44.726 45.100 -0.068 0.000 1.071 495 G HN 0.318 nan 8.290 nan 0.000 0.530 496 K N 1.522 121.951 120.400 0.048 0.000 2.295 496 K HA 0.767 5.086 4.320 -0.002 0.000 0.239 496 K C -0.627 176.019 176.600 0.076 0.000 0.991 496 K CA -0.967 55.363 56.287 0.072 0.000 0.845 496 K CB 1.562 34.088 32.500 0.044 0.000 1.197 496 K HN 0.254 nan 8.250 nan 0.000 0.441 497 F N 2.212 122.039 119.950 -0.206 0.000 2.072 497 F HA 0.255 4.781 4.527 -0.002 0.000 0.284 497 F C -0.372 175.306 175.800 -0.203 0.000 0.941 497 F CA -0.067 57.819 58.000 -0.191 0.000 1.151 497 F CB -0.026 38.855 39.000 -0.198 0.000 1.308 497 F HN 0.584 nan 8.300 nan 0.000 0.677 498 I N 2.890 123.231 120.570 -0.382 0.000 2.777 498 I HA -0.258 3.911 4.170 -0.002 0.000 0.151 498 I C -0.635 175.218 176.117 -0.439 0.000 0.891 498 I CA 0.904 61.945 61.300 -0.432 0.000 2.739 498 I CB 0.005 37.700 38.000 -0.508 0.000 0.594 498 I HN 0.337 nan 8.210 nan 0.000 0.353 499 R N 5.502 125.809 120.500 -0.321 0.000 2.629 499 R HA 0.313 4.652 4.340 -0.002 0.000 0.275 499 R C -1.086 175.128 176.300 -0.142 0.000 1.719 499 R CA -0.540 55.405 56.100 -0.258 0.000 1.472 499 R CB 1.267 31.389 30.300 -0.297 0.000 1.237 499 R HN 0.733 nan 8.270 nan 0.000 0.589 500 Q N 0.976 120.704 119.800 -0.119 0.000 2.421 500 Q HA 0.218 4.557 4.340 -0.002 0.000 0.242 500 Q C 0.310 176.266 176.000 -0.074 0.000 1.024 500 Q CA -0.040 55.710 55.803 -0.087 0.000 0.891 500 Q CB 1.359 30.047 28.738 -0.084 0.000 1.222 500 Q HN 0.442 nan 8.270 nan 0.000 0.483 501 T N -1.849 112.669 114.554 -0.060 0.000 3.115 501 T HA 0.280 4.628 4.350 -0.002 0.000 0.256 501 T C 0.936 175.614 174.700 -0.036 0.000 0.970 501 T CA 0.269 62.340 62.100 -0.048 0.000 1.010 501 T CB 0.733 69.573 68.868 -0.046 0.000 1.151 501 T HN 0.568 nan 8.240 nan 0.000 0.479 502 G N -0.232 108.549 108.800 -0.032 0.000 4.340 502 G HA2 0.511 4.469 3.960 -0.002 0.000 0.232 502 G HA3 0.511 4.469 3.960 -0.002 0.000 0.232 502 G C 0.253 175.147 174.900 -0.011 0.000 3.572 502 G CA 0.046 45.133 45.100 -0.021 0.000 0.648 502 G HN 0.836 nan 8.290 nan 0.000 0.221 503 G N 0.901 109.695 108.800 -0.009 0.000 2.010 503 G HA2 0.095 4.054 3.960 -0.002 0.000 0.088 503 G HA3 0.095 4.054 3.960 -0.002 0.000 0.088 503 G C 0.422 175.333 174.900 0.017 0.000 1.216 503 G CA -0.009 45.094 45.100 0.006 0.000 1.074 503 G HN 0.860 nan 8.290 nan 0.000 0.300 504 R N 2.491 123.004 120.500 0.022 0.000 4.680 504 R HA 0.369 4.708 4.340 -0.002 0.000 0.222 504 R C 1.604 177.927 176.300 0.038 0.000 1.803 504 R CA 0.589 56.713 56.100 0.041 0.000 1.560 504 R CB 0.079 30.406 30.300 0.044 0.000 1.412 504 R HN 0.759 nan 8.270 nan 0.000 0.815 505 G N 1.499 110.309 108.800 0.018 0.000 3.004 505 G HA2 -0.420 3.539 3.960 -0.002 0.000 0.228 505 G HA3 -0.420 3.539 3.960 -0.002 0.000 0.228 505 G C 0.385 175.304 174.900 0.031 0.000 1.089 505 G CA 1.270 46.367 45.100 -0.005 0.000 0.735 505 G HN 0.633 nan 8.290 nan 0.000 0.662 506 Q N -2.519 117.341 119.800 0.100 0.000 2.402 506 Q HA -0.164 4.175 4.340 -0.002 0.000 0.332 506 Q C -1.112 174.992 176.000 0.174 0.000 1.302 506 Q CA 0.664 56.560 55.803 0.155 0.000 0.931 506 Q CB -1.590 27.218 28.738 0.118 0.000 1.031 506 Q HN 0.708 nan 8.270 nan 0.000 0.302 507 Y N 0.713 121.079 120.300 0.110 0.000 2.349 507 Y HA 0.682 5.231 4.550 -0.002 0.000 0.324 507 Y C 0.199 176.153 175.900 0.090 0.000 1.005 507 Y CA -0.120 58.033 58.100 0.088 0.000 1.240 507 Y CB 1.258 39.774 38.460 0.094 0.000 1.117 507 Y HN 0.460 nan 8.280 nan 0.000 0.463 508 G N 5.268 114.011 108.800 -0.094 0.000 2.731 508 G HA2 0.504 4.462 3.960 -0.002 0.000 0.298 508 G HA3 0.504 4.462 3.960 -0.002 0.000 0.298 508 G C -2.432 172.237 174.900 -0.384 0.000 1.424 508 G CA -0.644 44.169 45.100 -0.478 0.000 1.029 508 G HN 0.804 nan 8.290 nan 0.000 0.518 509 H N 0.364 119.100 119.070 -0.556 0.000 3.112 509 H HA 0.663 5.218 4.556 -0.002 0.000 0.347 509 H C -2.127 173.130 175.328 -0.119 0.000 1.188 509 H CA -0.492 55.399 56.048 -0.261 0.000 1.240 509 H CB 2.044 31.700 29.762 -0.176 0.000 1.920 509 H HN 0.565 nan 8.280 nan 0.000 0.535 510 V N 3.188 122.759 119.914 -0.571 0.000 3.216 510 V HA 0.443 4.561 4.120 -0.002 0.000 0.302 510 V C -0.901 174.915 176.094 -0.464 0.000 1.286 510 V CA -0.972 61.047 62.300 -0.468 0.000 1.048 510 V CB 2.589 34.345 31.823 -0.112 0.000 1.081 510 V HN 0.708 nan 8.190 nan 0.000 0.442 511 K N 3.033 123.180 120.400 -0.421 0.000 2.443 511 K HA 0.716 5.034 4.320 -0.002 0.000 0.252 511 K C -1.293 175.141 176.600 -0.277 0.000 0.933 511 K CA -0.653 55.426 56.287 -0.347 0.000 0.792 511 K CB 2.419 34.652 32.500 -0.444 0.000 1.185 511 K HN 0.595 nan 8.250 nan 0.000 0.425 512 I N -1.229 119.347 120.570 0.009 0.000 3.170 512 I HA 0.598 4.767 4.170 -0.002 0.000 0.312 512 I C -1.180 175.118 176.117 0.301 0.000 1.085 512 I CA -1.509 59.883 61.300 0.153 0.000 0.999 512 I CB 1.432 39.487 38.000 0.090 0.000 1.233 512 I HN 0.384 nan 8.210 nan 0.000 0.467 513 K N 1.768 122.316 120.400 0.246 0.000 2.521 513 K HA 0.635 4.953 4.320 -0.002 0.000 0.248 513 K C -1.355 175.301 176.600 0.093 0.000 0.978 513 K CA -0.322 56.052 56.287 0.146 0.000 0.947 513 K CB 1.164 33.724 32.500 0.100 0.000 1.165 513 K HN 0.527 nan 8.250 nan 0.000 0.445 514 V N 4.093 124.053 119.914 0.076 0.000 2.472 514 V HA 0.479 4.597 4.120 -0.002 0.000 0.290 514 V C -0.318 175.805 176.094 0.049 0.000 1.037 514 V CA -0.648 61.692 62.300 0.067 0.000 0.908 514 V CB 1.360 33.223 31.823 0.066 0.000 0.985 514 V HN 0.782 nan 8.190 nan 0.000 0.454 515 E N 5.293 125.522 120.200 0.048 0.000 2.287 515 E HA 0.405 4.753 4.350 -0.002 0.000 0.274 515 E C -3.178 173.448 176.600 0.044 0.000 0.896 515 E CA -1.913 54.509 56.400 0.037 0.000 0.788 515 E CB 2.763 32.478 29.700 0.026 0.000 1.244 515 E HN 0.422 nan 8.360 nan 0.000 0.408 516 P HA 0.109 nan 4.420 nan 0.000 0.268 516 P C -0.714 176.613 177.300 0.045 0.000 1.208 516 P CA -0.351 62.775 63.100 0.045 0.000 0.777 516 P CB 0.880 32.602 31.700 0.036 0.000 0.875 517 L N 3.650 124.906 121.223 0.055 0.000 2.350 517 L HA 0.542 4.881 4.340 -0.002 0.000 0.260 517 L C -2.354 174.552 176.870 0.060 0.000 1.015 517 L CA -2.443 52.430 54.840 0.055 0.000 0.821 517 L CB 1.401 43.500 42.059 0.066 0.000 1.370 517 L HN 0.229 nan 8.230 nan 0.000 0.416 518 P HA 0.024 nan 4.420 nan 0.000 0.259 518 P C -0.873 176.478 177.300 0.084 0.000 1.163 518 P CA 0.126 63.263 63.100 0.061 0.000 0.760 518 P CB 0.156 31.885 31.700 0.049 0.000 0.762 519 R N 3.433 123.993 120.500 0.099 0.000 2.816 519 R HA 0.230 4.569 4.340 -0.002 0.000 0.344 519 R C 1.127 177.525 176.300 0.163 0.000 1.065 519 R CA 0.863 57.046 56.100 0.139 0.000 0.995 519 R CB -1.245 29.154 30.300 0.164 0.000 0.984 519 R HN 0.843 nan 8.270 nan 0.000 0.435 520 G N 0.620 109.516 108.800 0.159 0.000 2.192 520 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.152 520 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.152 520 G C 0.485 175.455 174.900 0.117 0.000 1.057 520 G CA -0.217 44.980 45.100 0.161 0.000 0.748 520 G HN 0.498 nan 8.290 nan 0.000 0.488 521 S N -0.855 114.912 115.700 0.111 0.000 2.371 521 S HA 0.539 5.007 4.470 -0.002 0.000 0.219 521 S C 1.869 176.536 174.600 0.112 0.000 1.040 521 S CA 1.928 60.185 58.200 0.095 0.000 0.958 521 S CB 0.121 63.371 63.200 0.083 0.000 0.860 521 S HN 2.209 nan 8.310 nan 0.000 0.487 522 G N 0.967 109.850 108.800 0.139 0.000 2.545 522 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.211 522 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.211 522 G C -1.203 173.856 174.900 0.265 0.000 1.167 522 G CA -0.312 44.894 45.100 0.177 0.000 1.151 522 G HN 0.380 nan 8.290 nan 0.000 0.581 523 F N 3.061 123.063 119.950 0.087 0.000 2.577 523 F HA 0.745 5.271 4.527 -0.002 0.000 0.344 523 F C -0.403 175.502 175.800 0.175 0.000 1.145 523 F CA -0.746 57.325 58.000 0.118 0.000 0.996 523 F CB 1.696 40.760 39.000 0.108 0.000 1.248 523 F HN 0.595 nan 8.300 nan 0.000 0.447 524 E N 7.244 127.381 120.200 -0.104 0.000 2.260 524 E HA 0.417 4.765 4.350 -0.002 0.000 0.266 524 E C -1.706 174.814 176.600 -0.134 0.000 0.887 524 E CA -0.630 55.680 56.400 -0.150 0.000 0.777 524 E CB 1.461 31.113 29.700 -0.081 0.000 1.205 524 E HN 0.378 nan 8.360 nan 0.000 0.414 525 F N 1.606 121.339 119.950 -0.362 0.000 2.557 525 F HA 0.798 5.323 4.527 -0.002 0.000 0.336 525 F C -1.016 174.703 175.800 -0.135 0.000 1.058 525 F CA -1.290 56.555 58.000 -0.260 0.000 0.988 525 F CB 0.921 39.733 39.000 -0.313 0.000 1.275 525 F HN 0.025 nan 8.300 nan 0.000 0.488 526 V N 1.209 121.146 119.914 0.039 0.000 2.462 526 V HA 0.250 4.368 4.120 -0.002 0.000 0.288 526 V C -0.365 175.753 176.094 0.040 0.000 1.020 526 V CA -0.916 61.363 62.300 -0.035 0.000 0.857 526 V CB 1.102 32.918 31.823 -0.013 0.000 1.013 526 V HN 0.932 nan 8.190 nan 0.000 0.431 527 N N 3.334 122.040 118.700 0.010 0.000 3.127 527 N HA 0.140 4.879 4.740 -0.002 0.000 0.317 527 N C 1.025 176.550 175.510 0.026 0.000 1.242 527 N CA 0.138 53.211 53.050 0.037 0.000 1.203 527 N CB 0.322 38.818 38.487 0.014 0.000 1.462 527 N HN 0.882 nan 8.380 nan 0.000 0.546 528 A N 2.412 125.263 122.820 0.052 0.000 2.604 528 A HA 0.130 4.448 4.320 -0.002 0.000 0.248 528 A C -0.024 177.604 177.584 0.073 0.000 1.466 528 A CA -0.007 52.073 52.037 0.071 0.000 1.222 528 A CB -0.272 18.799 19.000 0.118 0.000 0.945 528 A HN 0.411 nan 8.150 nan 0.000 0.600 529 I N 0.429 121.023 120.570 0.040 0.000 2.354 529 I HA 0.117 4.286 4.170 -0.002 0.000 0.286 529 I C 1.350 177.476 176.117 0.015 0.000 1.007 529 I CA -0.208 61.107 61.300 0.026 0.000 1.167 529 I CB 0.868 38.870 38.000 0.004 0.000 1.320 529 I HN 0.136 nan 8.210 nan 0.000 0.458 530 V N 8.138 128.067 119.914 0.025 0.000 2.251 530 V HA -0.203 3.915 4.120 -0.002 0.000 0.170 530 V C 2.068 178.162 176.094 0.001 0.000 0.833 530 V CA 2.458 64.768 62.300 0.018 0.000 1.097 530 V CB -0.516 31.326 31.823 0.030 0.000 0.693 530 V HN 0.909 nan 8.190 nan 0.000 0.481 531 G N -0.847 107.954 108.800 0.002 0.000 2.514 531 G HA2 0.117 4.076 3.960 -0.002 0.000 0.217 531 G HA3 0.117 4.076 3.960 -0.002 0.000 0.217 531 G C 0.970 175.851 174.900 -0.031 0.000 1.198 531 G CA 1.182 46.276 45.100 -0.011 0.000 0.780 531 G HN 2.061 nan 8.290 nan 0.000 0.565 532 G N -1.665 107.111 108.800 -0.040 0.000 3.198 532 G HA2 0.139 4.097 3.960 -0.002 0.000 0.228 532 G HA3 0.139 4.097 3.960 -0.002 0.000 0.228 532 G C 0.560 175.383 174.900 -0.127 0.000 1.499 532 G CA 0.289 45.339 45.100 -0.083 0.000 1.104 532 G HN 0.549 nan 8.290 nan 0.000 0.563 533 V N 0.035 119.910 119.914 -0.065 0.000 2.688 533 V HA 0.050 4.169 4.120 -0.002 0.000 0.256 533 V C 1.446 177.442 176.094 -0.162 0.000 1.084 533 V CA 1.280 63.557 62.300 -0.039 0.000 1.103 533 V CB -0.332 31.530 31.823 0.065 0.000 0.688 533 V HN 0.556 nan 8.190 nan 0.000 0.480 534 I N 1.412 121.896 120.570 -0.144 0.000 2.405 534 I HA 0.339 4.508 4.170 -0.002 0.000 0.280 534 I C -2.342 173.598 176.117 -0.295 0.000 1.027 534 I CA -2.071 59.148 61.300 -0.135 0.000 1.161 534 I CB 1.554 39.578 38.000 0.040 0.000 1.300 534 I HN 0.087 nan 8.210 nan 0.000 0.463 535 P HA -0.111 nan 4.420 nan 0.000 0.268 535 P C 0.245 177.297 177.300 -0.413 0.000 1.171 535 P CA 0.411 63.212 63.100 -0.499 0.000 0.761 535 P CB 0.620 31.939 31.700 -0.635 0.000 0.786 536 K N 2.205 122.416 120.400 -0.314 0.000 2.032 536 K HA -0.200 4.118 4.320 -0.002 0.000 0.209 536 K C 1.702 178.159 176.600 -0.237 0.000 1.048 536 K CA 1.678 57.833 56.287 -0.220 0.000 0.927 536 K CB -0.303 32.098 32.500 -0.165 0.000 0.712 536 K HN 0.534 nan 8.250 nan 0.000 0.441 537 E N 0.064 120.071 120.200 -0.322 0.000 2.187 537 E HA -0.216 4.133 4.350 -0.002 0.000 0.199 537 E C 1.520 178.036 176.600 -0.140 0.000 1.004 537 E CA 1.228 57.471 56.400 -0.263 0.000 0.813 537 E CB -0.187 29.309 29.700 -0.341 0.000 0.736 537 E HN 0.411 nan 8.360 nan 0.000 0.468 538 Y N -0.098 120.029 120.300 -0.288 0.000 2.517 538 Y HA 0.044 4.593 4.550 -0.002 0.000 0.281 538 Y C 2.038 177.762 175.900 -0.293 0.000 1.125 538 Y CA -0.511 57.346 58.100 -0.406 0.000 1.283 538 Y CB -0.091 37.786 38.460 -0.971 0.000 1.042 538 Y HN 0.028 nan 8.280 nan 0.000 0.547 539 I N 0.994 121.519 120.570 -0.075 0.000 2.208 539 I HA -0.176 3.993 4.170 -0.002 0.000 0.245 539 I C -0.435 175.682 176.117 -0.001 0.000 1.097 539 I CA 1.229 62.513 61.300 -0.026 0.000 1.363 539 I CB -2.259 35.735 38.000 -0.009 0.000 1.051 539 I HN 0.089 nan 8.210 nan 0.000 0.413 540 P HA -0.154 nan 4.420 nan 0.000 0.215 540 P C 1.715 179.009 177.300 -0.010 0.000 1.157 540 P CA 2.119 65.216 63.100 -0.005 0.000 0.874 540 P CB -0.025 31.677 31.700 0.005 0.000 0.790 541 A N -0.666 122.161 122.820 0.010 0.000 1.972 541 A HA -0.145 4.174 4.320 -0.002 0.000 0.219 541 A C 2.265 179.867 177.584 0.031 0.000 1.169 541 A CA 1.737 53.781 52.037 0.013 0.000 0.635 541 A CB -1.643 17.364 19.000 0.011 0.000 0.810 541 A HN 0.220 nan 8.150 nan 0.000 0.446 542 V N -0.620 119.330 119.914 0.061 0.000 3.461 542 V HA -0.071 4.048 4.120 -0.002 0.000 0.267 542 V C 1.925 178.034 176.094 0.024 0.000 1.186 542 V CA 1.940 64.297 62.300 0.095 0.000 1.154 542 V CB -0.165 31.770 31.823 0.186 0.000 0.802 542 V HN 0.753 nan 8.190 nan 0.000 0.474 543 Q N 0.009 119.792 119.800 -0.028 0.000 2.226 543 Q HA -0.097 4.241 4.340 -0.002 0.000 0.199 543 Q C 2.218 178.184 176.000 -0.057 0.000 0.945 543 Q CA 1.076 56.821 55.803 -0.098 0.000 0.861 543 Q CB -0.045 28.541 28.738 -0.255 0.000 0.953 543 Q HN 0.638 nan 8.270 nan 0.000 0.490 544 K N -0.355 120.016 120.400 -0.048 0.000 2.280 544 K HA -0.088 4.231 4.320 -0.002 0.000 0.202 544 K C 1.663 178.241 176.600 -0.036 0.000 1.047 544 K CA 1.305 57.568 56.287 -0.040 0.000 0.942 544 K CB -0.206 32.273 32.500 -0.034 0.000 0.739 544 K HN 0.315 nan 8.250 nan 0.000 0.457 545 G N 1.001 109.784 108.800 -0.029 0.000 2.404 545 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.213 545 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.213 545 G C 1.456 176.343 174.900 -0.022 0.000 1.189 545 G CA 0.515 45.594 45.100 -0.035 0.000 0.796 545 G HN 0.201 nan 8.290 nan 0.000 0.532 546 I N 0.490 121.062 120.570 0.004 0.000 2.127 546 I HA -0.182 3.987 4.170 -0.002 0.000 0.241 546 I C 2.692 178.835 176.117 0.045 0.000 1.075 546 I CA 1.628 62.952 61.300 0.038 0.000 1.334 546 I CB -0.315 37.729 38.000 0.073 0.000 1.040 546 I HN 0.293 nan 8.210 nan 0.000 0.405 547 E N 0.844 121.081 120.200 0.062 0.000 2.086 547 E HA -0.343 4.006 4.350 -0.002 0.000 0.205 547 E C 2.011 178.529 176.600 -0.136 0.000 1.027 547 E CA 2.167 58.534 56.400 -0.056 0.000 0.830 547 E CB -0.058 29.615 29.700 -0.046 0.000 0.751 547 E HN 0.418 nan 8.360 nan 0.000 0.456 548 E N -0.302 119.849 120.200 -0.081 0.000 2.005 548 E HA -0.276 4.073 4.350 -0.002 0.000 0.198 548 E C 2.013 178.570 176.600 -0.072 0.000 1.010 548 E CA 1.361 57.713 56.400 -0.079 0.000 0.825 548 E CB -0.327 29.338 29.700 -0.059 0.000 0.769 548 E HN 0.333 nan 8.360 nan 0.000 0.456 549 A N 1.071 123.861 122.820 -0.049 0.000 1.954 549 A HA -0.304 4.015 4.320 -0.002 0.000 0.222 549 A C 2.196 179.756 177.584 -0.040 0.000 1.199 549 A CA 2.562 54.577 52.037 -0.036 0.000 0.657 549 A CB -0.972 18.015 19.000 -0.021 0.000 0.823 549 A HN 0.471 nan 8.150 nan 0.000 0.463 550 M N -0.458 119.109 119.600 -0.055 0.000 2.706 550 M HA -0.182 4.296 4.480 -0.002 0.000 0.253 550 M C 1.898 178.155 176.300 -0.071 0.000 1.063 550 M CA 0.704 55.967 55.300 -0.062 0.000 1.067 550 M CB -0.345 32.188 32.600 -0.113 0.000 1.423 550 M HN 0.444 nan 8.290 nan 0.000 0.530 551 Q N 0.101 119.860 119.800 -0.068 0.000 1.969 551 Q HA 0.016 4.355 4.340 -0.002 0.000 0.198 551 Q C 1.068 177.060 176.000 -0.014 0.000 0.978 551 Q CA 0.999 56.766 55.803 -0.060 0.000 0.830 551 Q CB -0.413 28.289 28.738 -0.061 0.000 0.896 551 Q HN 0.359 nan 8.270 nan 0.000 0.431 552 S N 0.708 116.411 115.700 0.005 0.000 2.430 552 S HA 0.466 4.934 4.470 -0.002 0.000 0.289 552 S C 0.195 174.816 174.600 0.035 0.000 1.143 552 S CA -0.384 57.842 58.200 0.043 0.000 1.067 552 S CB 0.504 63.723 63.200 0.031 0.000 0.964 552 S HN 0.351 nan 8.310 nan 0.000 0.485 553 G N 5.082 113.919 108.800 0.063 0.000 2.732 553 G HA2 0.206 4.164 3.960 -0.002 0.000 0.244 553 G HA3 0.206 4.164 3.960 -0.002 0.000 0.244 553 G C -1.334 173.569 174.900 0.004 0.000 1.226 553 G CA -0.828 44.291 45.100 0.033 0.000 0.860 553 G HN 0.598 nan 8.290 nan 0.000 0.583 554 P HA 0.021 nan 4.420 nan 0.000 0.230 554 P C 1.524 178.803 177.300 -0.036 0.000 1.168 554 P CA 0.721 63.811 63.100 -0.017 0.000 0.793 554 P CB 0.328 32.020 31.700 -0.013 0.000 0.851 555 L N -0.339 120.852 121.223 -0.053 0.000 2.296 555 L HA 0.181 4.519 4.340 -0.002 0.000 0.193 555 L C 2.684 179.482 176.870 -0.120 0.000 1.123 555 L CA 0.874 55.662 54.840 -0.086 0.000 0.805 555 L CB -0.721 41.276 42.059 -0.104 0.000 1.004 555 L HN -0.166 nan 8.230 nan 0.000 0.478 556 I N -3.147 117.324 120.570 -0.165 0.000 4.035 556 I HA 0.438 4.607 4.170 -0.002 0.000 0.321 556 I C 1.033 177.043 176.117 -0.179 0.000 1.289 556 I CA 0.718 61.875 61.300 -0.238 0.000 1.236 556 I CB 0.998 38.742 38.000 -0.427 0.000 1.076 556 I HN 0.367 nan 8.210 nan 0.000 0.418 557 G N 1.247 110.016 108.800 -0.051 0.000 2.145 557 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.145 557 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.145 557 G C -0.195 174.932 174.900 0.378 0.000 1.017 557 G CA -0.503 44.652 45.100 0.091 0.000 0.682 557 G HN 0.367 nan 8.290 nan 0.000 0.504 558 F N 0.174 120.104 119.950 -0.033 0.000 2.425 558 F HA 0.445 4.971 4.527 -0.002 0.000 0.331 558 F C -1.550 174.218 175.800 -0.054 0.000 1.085 558 F CA -2.934 55.046 58.000 -0.034 0.000 1.028 558 F CB 1.820 40.817 39.000 -0.004 0.000 1.177 558 F HN -0.190 nan 8.300 nan 0.000 0.487 559 P HA -0.152 nan 4.420 nan 0.000 0.148 559 P C -0.550 176.730 177.300 -0.034 0.000 0.756 559 P CA 0.288 63.354 63.100 -0.057 0.000 1.236 559 P CB -0.645 30.976 31.700 -0.130 0.000 1.438 560 V N 4.485 124.390 119.914 -0.016 0.000 2.420 560 V HA 0.033 4.152 4.120 -0.002 0.000 0.274 560 V C 1.118 177.203 176.094 -0.016 0.000 1.003 560 V CA 0.554 62.849 62.300 -0.008 0.000 1.092 560 V CB -0.460 31.365 31.823 0.004 0.000 1.002 560 V HN 0.311 nan 8.190 nan 0.000 0.473 561 V N 1.132 121.040 119.914 -0.010 0.000 3.156 561 V HA 0.791 4.909 4.120 -0.002 0.000 0.310 561 V C -0.575 175.551 176.094 0.054 0.000 1.234 561 V CA -1.173 61.139 62.300 0.019 0.000 1.065 561 V CB 2.103 33.927 31.823 0.001 0.000 1.088 561 V HN 0.628 nan 8.190 nan 0.000 0.451 562 D N 0.602 121.059 120.400 0.096 0.000 3.061 562 D HA -0.095 4.544 4.640 -0.002 0.000 0.252 562 D C -0.658 175.705 176.300 0.105 0.000 1.080 562 D CA 1.645 55.709 54.000 0.107 0.000 0.871 562 D CB -1.188 39.666 40.800 0.091 0.000 1.018 562 D HN 1.201 nan 8.370 nan 0.000 0.425 563 I N -3.408 117.246 120.570 0.139 0.000 2.908 563 I HA 0.523 4.692 4.170 -0.002 0.000 0.300 563 I C -0.795 175.403 176.117 0.136 0.000 1.385 563 I CA -1.146 60.233 61.300 0.130 0.000 1.004 563 I CB 2.572 40.655 38.000 0.138 0.000 1.309 563 I HN -0.079 nan 8.210 nan 0.000 0.449 564 K N 3.658 124.111 120.400 0.089 0.000 2.292 564 K HA 0.784 5.102 4.320 -0.002 0.000 0.257 564 K C -1.817 174.818 176.600 0.059 0.000 0.940 564 K CA -0.583 55.735 56.287 0.052 0.000 0.811 564 K CB 2.287 34.802 32.500 0.025 0.000 1.120 564 K HN 0.645 nan 8.250 nan 0.000 0.428 565 V N 2.623 122.568 119.914 0.050 0.000 2.513 565 V HA 0.414 4.533 4.120 -0.002 0.000 0.299 565 V C -0.567 175.575 176.094 0.080 0.000 1.035 565 V CA -0.772 61.575 62.300 0.078 0.000 0.889 565 V CB 1.843 33.724 31.823 0.097 0.000 0.988 565 V HN 0.868 nan 8.190 nan 0.000 0.440 566 T N 5.280 119.893 114.554 0.098 0.000 2.934 566 T HA 0.395 4.744 4.350 -0.002 0.000 0.328 566 T C -0.518 174.279 174.700 0.163 0.000 1.068 566 T CA -0.274 61.894 62.100 0.113 0.000 1.018 566 T CB 0.929 69.855 68.868 0.098 0.000 1.009 566 T HN 0.565 nan 8.240 nan 0.000 0.471 567 L N 4.585 125.886 121.223 0.130 0.000 2.407 567 L HA 0.366 4.705 4.340 -0.002 0.000 0.282 567 L C 0.288 177.226 176.870 0.113 0.000 1.110 567 L CA 0.052 54.945 54.840 0.089 0.000 0.863 567 L CB -0.430 41.672 42.059 0.072 0.000 1.207 567 L HN 0.714 nan 8.230 nan 0.000 0.454 568 Y N 1.239 121.555 120.300 0.027 0.000 2.500 568 Y HA 0.591 5.139 4.550 -0.002 0.000 0.246 568 Y C -0.101 175.818 175.900 0.031 0.000 1.146 568 Y CA -0.642 57.473 58.100 0.024 0.000 1.230 568 Y CB 0.234 38.705 38.460 0.020 0.000 1.214 568 Y HN 0.592 nan 8.280 nan 0.000 0.526 569 D N -0.733 119.302 120.400 -0.608 0.000 2.851 569 D HA 0.548 5.187 4.640 -0.002 0.000 0.339 569 D C -0.874 175.253 176.300 -0.288 0.000 1.347 569 D CA 0.636 54.373 54.000 -0.439 0.000 0.888 569 D CB 1.631 42.035 40.800 -0.660 0.000 1.431 569 D HN 0.513 nan 8.370 nan 0.000 0.509 570 G N -0.311 108.401 108.800 -0.147 0.000 2.528 570 G HA2 0.451 4.409 3.960 -0.002 0.000 0.681 570 G HA3 0.451 4.409 3.960 -0.002 0.000 0.681 570 G C -0.173 174.912 174.900 0.307 0.000 1.340 570 G CA 0.238 45.291 45.100 -0.077 0.000 0.855 570 G HN 0.839 nan 8.290 nan 0.000 0.649 571 S N 0.270 116.376 115.700 0.676 0.000 2.626 571 S HA 0.990 5.458 4.470 -0.002 0.000 0.243 571 S C -0.001 175.122 174.600 0.871 0.000 1.116 571 S CA 0.574 59.168 58.200 0.657 0.000 1.089 571 S CB 1.417 64.925 63.200 0.513 0.000 1.180 571 S HN 2.496 nan 8.310 nan 0.000 0.523 572 Y N -1.886 118.647 120.300 0.388 0.000 2.851 572 Y HA 0.685 5.233 4.550 -0.002 0.000 0.359 572 Y C -1.472 174.236 175.900 -0.321 0.000 1.231 572 Y CA -1.411 56.878 58.100 0.314 0.000 1.106 572 Y CB -0.082 38.606 38.460 0.380 0.000 1.409 572 Y HN 1.009 nan 8.280 nan 0.000 0.454 573 H N 0.338 119.077 119.070 -0.550 0.000 2.600 573 H HA 0.443 4.997 4.556 -0.002 0.000 0.357 573 H C 0.601 175.770 175.328 -0.265 0.000 1.106 573 H CA -0.193 55.442 56.048 -0.689 0.000 1.193 573 H CB 2.378 31.737 29.762 -0.673 0.000 1.594 573 H HN 0.837 nan 8.280 nan 0.000 0.526 574 E N 2.158 121.922 120.200 -0.727 0.000 2.118 574 E HA -0.145 4.204 4.350 -0.002 0.000 0.195 574 E C 0.747 177.352 176.600 0.009 0.000 0.992 574 E CA 2.061 58.296 56.400 -0.274 0.000 0.804 574 E CB 0.262 29.744 29.700 -0.362 0.000 0.741 574 E HN 0.479 nan 8.360 nan 0.000 0.458 575 V N -0.055 119.950 119.914 0.153 0.000 3.013 575 V HA -0.034 4.085 4.120 -0.002 0.000 0.238 575 V C 1.222 177.477 176.094 0.268 0.000 1.161 575 V CA 0.887 63.320 62.300 0.222 0.000 1.170 575 V CB -0.039 31.907 31.823 0.205 0.000 0.917 575 V HN 0.138 nan 8.190 nan 0.000 0.478 576 D N 0.808 121.423 120.400 0.359 0.000 2.117 576 D HA -0.063 4.576 4.640 -0.002 0.000 0.197 576 D C 1.370 177.840 176.300 0.284 0.000 0.987 576 D CA 0.858 54.995 54.000 0.227 0.000 0.829 576 D CB -0.394 40.456 40.800 0.082 0.000 0.961 576 D HN 0.314 nan 8.370 nan 0.000 0.460 577 S N -0.303 115.635 115.700 0.397 0.000 2.537 577 S HA 0.164 4.632 4.470 -0.002 0.000 0.280 577 S C 0.390 175.151 174.600 0.267 0.000 1.335 577 S CA 0.068 58.553 58.200 0.476 0.000 1.025 577 S CB 0.553 64.238 63.200 0.808 0.000 0.836 577 S HN 0.202 nan 8.310 nan 0.000 0.523 578 S N -0.715 115.010 115.700 0.042 0.000 2.541 578 S HA 0.276 4.744 4.470 -0.002 0.000 0.271 578 S C 0.631 174.955 174.600 -0.460 0.000 1.133 578 S CA -0.637 57.490 58.200 -0.121 0.000 0.876 578 S CB 1.506 64.716 63.200 0.016 0.000 1.105 578 S HN 0.835 nan 8.310 nan 0.000 0.470 579 E N 3.269 123.251 120.200 -0.364 0.000 2.097 579 E HA -0.201 4.148 4.350 -0.002 0.000 0.196 579 E C 1.634 178.128 176.600 -0.177 0.000 1.000 579 E CA 1.512 57.718 56.400 -0.325 0.000 0.804 579 E CB -0.149 29.523 29.700 -0.048 0.000 0.740 579 E HN 0.732 nan 8.360 nan 0.000 0.454 580 M N 0.352 119.885 119.600 -0.112 0.000 2.123 580 M HA -0.081 4.398 4.480 -0.002 0.000 0.263 580 M C 2.387 178.595 176.300 -0.154 0.000 1.069 580 M CA 1.544 56.786 55.300 -0.098 0.000 1.133 580 M CB -0.333 32.227 32.600 -0.067 0.000 1.356 580 M HN 0.294 nan 8.290 nan 0.000 0.415 581 A N 0.157 122.908 122.820 -0.116 0.000 2.009 581 A HA -0.251 4.068 4.320 -0.002 0.000 0.222 581 A C 1.734 179.153 177.584 -0.274 0.000 1.175 581 A CA 1.902 53.831 52.037 -0.181 0.000 0.651 581 A CB -1.176 17.877 19.000 0.087 0.000 0.815 581 A HN 0.569 nan 8.150 nan 0.000 0.459 582 F N -0.435 119.369 119.950 -0.243 0.000 2.270 582 F HA 0.010 4.536 4.527 -0.002 0.000 0.295 582 F C 2.267 177.965 175.800 -0.171 0.000 1.087 582 F CA 1.511 59.417 58.000 -0.156 0.000 1.365 582 F CB -0.056 38.881 39.000 -0.106 0.000 1.056 582 F HN 0.123 nan 8.300 nan 0.000 0.506 583 K N 0.746 121.144 120.400 -0.004 0.000 2.152 583 K HA -0.183 4.135 4.320 -0.002 0.000 0.206 583 K C 1.845 178.360 176.600 -0.142 0.000 1.048 583 K CA 1.329 57.581 56.287 -0.058 0.000 0.933 583 K CB -0.303 32.154 32.500 -0.071 0.000 0.721 583 K HN 0.208 nan 8.250 nan 0.000 0.447 584 I N 0.980 121.370 120.570 -0.299 0.000 2.235 584 I HA -0.140 4.029 4.170 -0.002 0.000 0.241 584 I C 2.591 178.543 176.117 -0.276 0.000 1.085 584 I CA 1.128 62.198 61.300 -0.383 0.000 1.378 584 I CB -1.528 35.955 38.000 -0.861 0.000 1.076 584 I HN 0.109 nan 8.210 nan 0.000 0.415 585 A N 1.180 123.819 122.820 -0.302 0.000 1.892 585 A HA -0.169 4.150 4.320 -0.002 0.000 0.218 585 A C 2.458 179.985 177.584 -0.095 0.000 1.188 585 A CA 2.163 54.105 52.037 -0.157 0.000 0.631 585 A CB -1.416 17.456 19.000 -0.213 0.000 0.822 585 A HN 0.446 nan 8.150 nan 0.000 0.447 586 G N -1.449 107.308 108.800 -0.071 0.000 2.408 586 G HA2 -0.135 3.823 3.960 -0.002 0.000 0.217 586 G HA3 -0.135 3.823 3.960 -0.002 0.000 0.217 586 G C 1.770 176.655 174.900 -0.024 0.000 1.150 586 G CA 1.250 46.337 45.100 -0.022 0.000 0.776 586 G HN 0.531 nan 8.290 nan 0.000 0.542 587 S N -0.451 115.219 115.700 -0.050 0.000 2.595 587 S HA 0.110 4.578 4.470 -0.002 0.000 0.235 587 S C 2.197 176.779 174.600 -0.031 0.000 0.974 587 S CA 0.649 58.823 58.200 -0.042 0.000 0.942 587 S CB -0.245 62.916 63.200 -0.065 0.000 0.766 587 S HN 0.397 nan 8.310 nan 0.000 0.536 588 M N -0.286 119.296 119.600 -0.030 0.000 2.557 588 M HA 0.221 4.699 4.480 -0.002 0.000 0.262 588 M C 2.468 178.769 176.300 0.001 0.000 1.168 588 M CA 0.885 56.179 55.300 -0.009 0.000 1.194 588 M CB -0.456 32.146 32.600 0.004 0.000 1.311 588 M HN 0.318 nan 8.290 nan 0.000 0.489 589 A N 0.870 123.688 122.820 -0.003 0.000 1.978 589 A HA -0.131 4.188 4.320 -0.002 0.000 0.220 589 A C 2.007 179.605 177.584 0.023 0.000 1.170 589 A CA 1.329 53.371 52.037 0.008 0.000 0.636 589 A CB -0.631 18.368 19.000 -0.001 0.000 0.810 589 A HN 0.353 nan 8.150 nan 0.000 0.448 590 I N -0.681 119.902 120.570 0.022 0.000 2.277 590 I HA -0.060 4.108 4.170 -0.002 0.000 0.243 590 I C 1.758 177.889 176.117 0.023 0.000 1.094 590 I CA 1.101 62.422 61.300 0.033 0.000 1.393 590 I CB -0.931 37.093 38.000 0.041 0.000 1.078 590 I HN 0.128 nan 8.210 nan 0.000 0.417 591 K N 0.905 121.311 120.400 0.011 0.000 2.585 591 K HA -0.160 4.159 4.320 -0.002 0.000 0.194 591 K C 1.500 178.105 176.600 0.010 0.000 1.037 591 K CA 0.744 57.035 56.287 0.007 0.000 0.964 591 K CB -0.120 32.380 32.500 0.000 0.000 0.787 591 K HN 0.511 nan 8.250 nan 0.000 0.488 592 E N -1.981 118.228 120.200 0.015 0.000 2.576 592 E HA 0.148 4.497 4.350 -0.002 0.000 0.214 592 E C 1.320 177.933 176.600 0.020 0.000 0.859 592 E CA 0.276 56.685 56.400 0.015 0.000 1.399 592 E CB 0.262 29.971 29.700 0.015 0.000 1.374 592 E HN 0.086 nan 8.360 nan 0.000 0.718 593 A N 0.701 123.537 122.820 0.027 0.000 1.969 593 A HA -0.046 4.272 4.320 -0.002 0.000 0.218 593 A C 2.113 179.714 177.584 0.028 0.000 1.169 593 A CA 1.098 53.155 52.037 0.033 0.000 0.635 593 A CB -0.336 18.691 19.000 0.045 0.000 0.810 593 A HN 0.168 nan 8.150 nan 0.000 0.445 594 V N -0.526 119.403 119.914 0.025 0.000 2.427 594 V HA -0.264 3.854 4.120 -0.002 0.000 0.248 594 V C 2.608 178.708 176.094 0.011 0.000 1.051 594 V CA 2.179 64.491 62.300 0.020 0.000 1.048 594 V CB -0.713 31.121 31.823 0.019 0.000 0.666 594 V HN 0.654 nan 8.190 nan 0.000 0.456 595 Q N -0.296 119.509 119.800 0.009 0.000 2.079 595 Q HA -0.184 4.155 4.340 -0.002 0.000 0.200 595 Q C 2.367 178.369 176.000 0.004 0.000 0.974 595 Q CA 1.654 57.459 55.803 0.002 0.000 0.840 595 Q CB -0.064 28.676 28.738 0.003 0.000 0.898 595 Q HN 0.527 nan 8.270 nan 0.000 0.430 596 K N -1.120 119.285 120.400 0.009 0.000 2.137 596 K HA 0.003 4.322 4.320 -0.002 0.000 0.202 596 K C 1.241 177.848 176.600 0.012 0.000 1.052 596 K CA 0.943 57.237 56.287 0.011 0.000 0.961 596 K CB 0.058 32.568 32.500 0.017 0.000 0.741 596 K HN 0.231 nan 8.250 nan 0.000 0.452 597 G N 1.314 110.122 108.800 0.015 0.000 3.374 597 G HA2 -0.008 3.950 3.960 -0.002 0.000 0.252 597 G HA3 -0.008 3.950 3.960 -0.002 0.000 0.252 597 G C -1.057 173.849 174.900 0.010 0.000 1.326 597 G CA -0.111 44.998 45.100 0.015 0.000 1.133 597 G HN 0.420 nan 8.290 nan 0.000 0.528 598 D N -0.010 120.393 120.400 0.005 0.000 4.478 598 D HA -0.116 4.522 4.640 -0.002 0.000 0.238 598 D C -2.176 174.123 176.300 -0.002 0.000 1.056 598 D CA 0.418 54.418 54.000 -0.000 0.000 1.245 598 D CB 0.210 41.010 40.800 0.001 0.000 0.794 598 D HN 0.301 nan 8.370 nan 0.000 0.394 599 P HA 0.229 nan 4.420 nan 0.000 0.274 599 P C -0.733 176.555 177.300 -0.021 0.000 1.231 599 P CA -0.473 62.618 63.100 -0.014 0.000 0.790 599 P CB 1.495 33.183 31.700 -0.021 0.000 0.951 600 V N 4.261 124.162 119.914 -0.021 0.000 2.567 600 V HA 0.297 4.416 4.120 -0.002 0.000 0.298 600 V C -0.224 175.849 176.094 -0.035 0.000 1.047 600 V CA -0.901 61.385 62.300 -0.024 0.000 0.880 600 V CB 1.074 32.894 31.823 -0.005 0.000 1.009 600 V HN 0.316 nan 8.190 nan 0.000 0.429 601 I N 8.089 128.620 120.570 -0.065 0.000 2.455 601 I HA 0.138 4.306 4.170 -0.002 0.000 0.303 601 I C 0.486 176.589 176.117 -0.023 0.000 1.180 601 I CA 0.276 61.516 61.300 -0.099 0.000 1.469 601 I CB -0.110 37.750 38.000 -0.232 0.000 1.480 601 I HN 0.441 nan 8.210 nan 0.000 0.669 602 L N 6.475 127.708 121.223 0.015 0.000 2.467 602 L HA 0.201 4.540 4.340 -0.002 0.000 0.270 602 L C 0.595 177.591 176.870 0.210 0.000 1.205 602 L CA 0.206 55.089 54.840 0.072 0.000 0.828 602 L CB 0.290 42.346 42.059 -0.004 0.000 1.101 602 L HN 0.641 nan 8.230 nan 0.000 0.479 603 E N 2.614 123.014 120.200 0.333 0.000 2.456 603 E HA 0.550 4.898 4.350 -0.002 0.000 0.276 603 E C -2.889 174.067 176.600 0.593 0.000 0.981 603 E CA -2.132 54.559 56.400 0.485 0.000 0.814 603 E CB 2.324 32.287 29.700 0.440 0.000 1.382 603 E HN 0.216 nan 8.360 nan 0.000 0.459 604 P HA 0.287 nan 4.420 nan 0.000 0.286 604 P C -0.934 176.390 177.300 0.040 0.000 1.269 604 P CA -0.338 62.893 63.100 0.217 0.000 0.787 604 P CB 0.685 32.530 31.700 0.241 0.000 0.920 605 I N 4.512 124.959 120.570 -0.204 0.000 2.441 605 I HA 0.402 4.570 4.170 -0.002 0.000 0.295 605 I C 0.670 176.677 176.117 -0.184 0.000 0.994 605 I CA -0.695 60.460 61.300 -0.241 0.000 1.144 605 I CB 1.256 38.910 38.000 -0.576 0.000 1.314 605 I HN 0.224 nan 8.210 nan 0.000 0.445 606 M N 4.847 124.465 119.600 0.030 0.000 2.705 606 M HA 0.541 5.020 4.480 -0.002 0.000 0.311 606 M C -0.293 176.183 176.300 0.293 0.000 1.214 606 M CA -0.667 54.707 55.300 0.123 0.000 0.920 606 M CB 1.652 34.324 32.600 0.120 0.000 1.687 606 M HN 0.372 nan 8.290 nan 0.000 0.481 607 R N 0.508 121.178 120.500 0.284 0.000 2.338 607 R HA 0.760 5.099 4.340 -0.002 0.000 0.317 607 R C -1.313 175.035 176.300 0.081 0.000 0.968 607 R CA -0.485 55.791 56.100 0.293 0.000 0.849 607 R CB 1.578 32.132 30.300 0.423 0.000 1.128 607 R HN 0.468 nan 8.270 nan 0.000 0.448 608 V N 2.308 122.243 119.914 0.035 0.000 2.876 608 V HA 0.381 4.499 4.120 -0.002 0.000 0.312 608 V C -0.630 175.488 176.094 0.039 0.000 1.085 608 V CA -0.923 61.384 62.300 0.013 0.000 0.945 608 V CB 2.428 34.310 31.823 0.099 0.000 1.017 608 V HN 0.757 nan 8.190 nan 0.000 0.428 609 E N 1.811 122.052 120.200 0.067 0.000 2.373 609 E HA 0.419 4.768 4.350 -0.002 0.000 0.251 609 E C -1.011 175.675 176.600 0.143 0.000 0.923 609 E CA -0.529 55.924 56.400 0.087 0.000 0.798 609 E CB 2.281 32.031 29.700 0.083 0.000 1.303 609 E HN 0.644 nan 8.360 nan 0.000 0.412 610 V N 0.675 120.679 119.914 0.149 0.000 2.432 610 V HA 0.380 4.499 4.120 -0.002 0.000 0.271 610 V C 0.183 176.335 176.094 0.097 0.000 1.046 610 V CA -0.495 61.901 62.300 0.160 0.000 0.945 610 V CB 0.912 32.819 31.823 0.139 0.000 0.992 610 V HN 0.449 nan 8.190 nan 0.000 0.471 611 T N 4.491 119.099 114.554 0.089 0.000 2.728 611 T HA 0.534 4.882 4.350 -0.002 0.000 0.296 611 T C 0.189 174.920 174.700 0.051 0.000 0.940 611 T CA 0.030 62.168 62.100 0.064 0.000 1.013 611 T CB 0.883 69.786 68.868 0.058 0.000 0.912 611 T HN 1.059 nan 8.240 nan 0.000 0.484 612 T N 3.791 118.378 114.554 0.056 0.000 2.956 612 T HA 0.474 4.822 4.350 -0.002 0.000 0.312 612 T C -3.065 171.698 174.700 0.104 0.000 1.151 612 T CA -2.086 60.054 62.100 0.067 0.000 1.024 612 T CB 1.504 70.410 68.868 0.062 0.000 1.140 612 T HN 0.104 nan 8.240 nan 0.000 0.473 613 P HA 0.163 nan 4.420 nan 0.000 0.265 613 P C 0.270 177.653 177.300 0.139 0.000 1.222 613 P CA -0.108 63.084 63.100 0.154 0.000 0.767 613 P CB 0.318 32.152 31.700 0.224 0.000 0.801 614 E N 1.917 122.160 120.200 0.072 0.000 2.505 614 E HA -0.227 4.121 4.350 -0.002 0.000 0.208 614 E C 0.700 177.303 176.600 0.005 0.000 1.148 614 E CA 1.218 57.644 56.400 0.042 0.000 0.926 614 E CB -0.917 28.797 29.700 0.024 0.000 0.873 614 E HN 0.571 nan 8.360 nan 0.000 0.595 615 E N -0.136 120.054 120.200 -0.017 0.000 2.014 615 E HA -0.110 4.239 4.350 -0.002 0.000 0.190 615 E C 1.357 177.808 176.600 -0.248 0.000 0.980 615 E CA 1.137 57.432 56.400 -0.175 0.000 0.807 615 E CB -0.286 29.228 29.700 -0.311 0.000 0.770 615 E HN 0.422 nan 8.360 nan 0.000 0.451 616 Y N 0.745 121.042 120.300 -0.004 0.000 2.337 616 Y HA -0.101 4.448 4.550 -0.002 0.000 0.293 616 Y C 2.455 178.353 175.900 -0.004 0.000 1.123 616 Y CA 0.732 58.828 58.100 -0.007 0.000 1.201 616 Y CB -0.327 38.125 38.460 -0.013 0.000 1.011 616 Y HN 0.067 nan 8.280 nan 0.000 0.545 617 M N 0.661 120.353 119.600 0.154 0.000 2.513 617 M HA -0.357 4.121 4.480 -0.002 0.000 0.256 617 M C 2.425 178.762 176.300 0.062 0.000 1.061 617 M CA 2.532 57.886 55.300 0.091 0.000 1.065 617 M CB -1.037 31.597 32.600 0.057 0.000 1.279 617 M HN 0.446 nan 8.290 nan 0.000 0.453 618 G N 0.600 109.422 108.800 0.037 0.000 2.867 618 G HA2 -0.411 3.548 3.960 -0.002 0.000 0.244 618 G HA3 -0.411 3.548 3.960 -0.002 0.000 0.244 618 G C 0.921 175.839 174.900 0.030 0.000 1.151 618 G CA 1.828 46.942 45.100 0.023 0.000 0.750 618 G HN 0.732 nan 8.290 nan 0.000 0.652 619 D N 0.149 120.574 120.400 0.042 0.000 2.144 619 D HA -0.056 4.583 4.640 -0.002 0.000 0.200 619 D C 2.772 179.101 176.300 0.048 0.000 0.978 619 D CA 1.092 55.118 54.000 0.043 0.000 0.833 619 D CB -0.631 40.197 40.800 0.048 0.000 0.961 619 D HN 0.264 nan 8.370 nan 0.000 0.470 620 V N 1.903 121.855 119.914 0.063 0.000 2.317 620 V HA -0.275 3.844 4.120 -0.002 0.000 0.251 620 V C 2.553 178.675 176.094 0.048 0.000 1.065 620 V CA 1.414 63.751 62.300 0.062 0.000 1.049 620 V CB -0.486 31.379 31.823 0.070 0.000 0.651 620 V HN 0.191 nan 8.190 nan 0.000 0.450 621 I N 0.082 120.673 120.570 0.036 0.000 2.233 621 I HA -0.080 4.088 4.170 -0.002 0.000 0.243 621 I C 2.618 178.742 176.117 0.012 0.000 1.093 621 I CA 1.374 62.686 61.300 0.019 0.000 1.380 621 I CB -1.157 36.852 38.000 0.015 0.000 1.067 621 I HN 0.385 nan 8.210 nan 0.000 0.413 622 G N 1.131 109.941 108.800 0.017 0.000 2.777 622 G HA2 -0.423 3.535 3.960 -0.002 0.000 0.217 622 G HA3 -0.423 3.535 3.960 -0.002 0.000 0.217 622 G C 1.398 176.305 174.900 0.012 0.000 1.295 622 G CA 1.462 46.571 45.100 0.015 0.000 0.800 622 G HN 0.388 nan 8.290 nan 0.000 0.637 623 D N 0.021 120.434 120.400 0.021 0.000 2.248 623 D HA -0.156 4.483 4.640 -0.002 0.000 0.191 623 D C 2.506 178.804 176.300 -0.004 0.000 1.013 623 D CA 1.285 55.299 54.000 0.023 0.000 0.883 623 D CB -0.163 40.668 40.800 0.051 0.000 0.915 623 D HN 0.155 nan 8.370 nan 0.000 0.448 624 L N 0.585 121.797 121.223 -0.018 0.000 2.156 624 L HA -0.038 4.301 4.340 -0.002 0.000 0.208 624 L C 2.169 179.009 176.870 -0.049 0.000 1.095 624 L CA 1.146 55.942 54.840 -0.073 0.000 0.770 624 L CB -0.869 41.144 42.059 -0.077 0.000 0.914 624 L HN 0.058 nan 8.230 nan 0.000 0.439 625 N N -0.503 118.185 118.700 -0.020 0.000 2.106 625 N HA -0.072 4.667 4.740 -0.002 0.000 0.188 625 N C 1.307 176.814 175.510 -0.005 0.000 1.029 625 N CA 0.955 54.000 53.050 -0.008 0.000 0.848 625 N CB -0.153 38.334 38.487 0.000 0.000 1.007 625 N HN 0.286 nan 8.380 nan 0.000 0.423 626 A N 0.249 123.068 122.820 -0.003 0.000 2.305 626 A HA 0.129 4.448 4.320 -0.002 0.000 0.236 626 A C 0.519 178.101 177.584 -0.002 0.000 1.392 626 A CA 0.488 52.527 52.037 0.003 0.000 1.205 626 A CB -0.351 18.654 19.000 0.009 0.000 0.881 626 A HN 0.237 nan 8.150 nan 0.000 0.558 627 R N -0.792 119.700 120.500 -0.013 0.000 2.648 627 R HA 0.267 4.606 4.340 -0.002 0.000 0.341 627 R C 0.241 176.535 176.300 -0.011 0.000 1.154 627 R CA -0.404 55.682 56.100 -0.023 0.000 1.228 627 R CB 0.003 30.259 30.300 -0.074 0.000 1.311 627 R HN 0.561 nan 8.270 nan 0.000 0.659 628 R N -1.392 119.113 120.500 0.007 0.000 4.018 628 R HA -0.189 4.150 4.340 -0.002 0.000 0.353 628 R C 0.358 176.672 176.300 0.024 0.000 1.214 628 R CA 1.239 57.352 56.100 0.021 0.000 1.059 628 R CB -1.065 29.253 30.300 0.030 0.000 1.512 628 R HN 0.441 nan 8.270 nan 0.000 0.566 629 G N 0.229 109.035 108.800 0.010 0.000 2.441 629 G HA2 0.460 4.418 3.960 -0.002 0.000 0.334 629 G HA3 0.460 4.418 3.960 -0.002 0.000 0.334 629 G C -0.878 174.039 174.900 0.027 0.000 1.161 629 G CA -0.479 44.635 45.100 0.023 0.000 0.935 629 G HN 0.068 nan 8.290 nan 0.000 0.488 630 Q N 1.778 121.609 119.800 0.052 0.000 2.325 630 Q HA 0.329 4.667 4.340 -0.002 0.000 0.270 630 Q C -1.049 174.953 176.000 0.003 0.000 1.020 630 Q CA -0.754 55.074 55.803 0.041 0.000 0.785 630 Q CB 1.955 30.736 28.738 0.072 0.000 1.259 630 Q HN 0.273 nan 8.270 nan 0.000 0.452 631 I N 3.628 124.188 120.570 -0.017 0.000 2.948 631 I HA -0.141 4.028 4.170 -0.002 0.000 0.290 631 I C 0.932 177.007 176.117 -0.070 0.000 1.226 631 I CA 0.602 61.874 61.300 -0.047 0.000 1.413 631 I CB 0.485 38.468 38.000 -0.027 0.000 1.352 631 I HN 0.826 nan 8.210 nan 0.000 0.597 632 L N 3.915 125.072 121.223 -0.110 0.000 3.128 632 L HA 0.517 4.856 4.340 -0.002 0.000 0.277 632 L C 0.609 177.429 176.870 -0.083 0.000 1.171 632 L CA 0.139 54.903 54.840 -0.126 0.000 1.008 632 L CB 0.232 42.135 42.059 -0.261 0.000 1.442 632 L HN 0.822 nan 8.230 nan 0.000 0.584 633 G N 1.167 109.930 108.800 -0.061 0.000 2.341 633 G HA2 0.383 4.342 3.960 -0.002 0.000 0.293 633 G HA3 0.383 4.342 3.960 -0.002 0.000 0.293 633 G C -1.482 173.405 174.900 -0.021 0.000 1.298 633 G CA -0.285 44.795 45.100 -0.035 0.000 0.868 633 G HN -0.082 nan 8.290 nan 0.000 0.540 634 M N -0.294 119.302 119.600 -0.008 0.000 2.571 634 M HA 0.445 4.923 4.480 -0.002 0.000 0.179 634 M C -1.691 174.614 176.300 0.009 0.000 1.009 634 M CA -0.620 54.681 55.300 0.003 0.000 0.864 634 M CB 0.909 33.513 32.600 0.008 0.000 3.064 634 M HN 0.327 nan 8.290 nan 0.000 0.364 635 E N 4.023 124.229 120.200 0.011 0.000 2.014 635 E HA 0.485 4.834 4.350 -0.002 0.000 0.275 635 E C -2.272 174.340 176.600 0.019 0.000 0.997 635 E CA -1.058 55.350 56.400 0.013 0.000 0.804 635 E CB 0.544 30.251 29.700 0.012 0.000 1.090 635 E HN 0.405 nan 8.360 nan 0.000 0.401 636 P HA -0.102 nan 4.420 nan 0.000 0.272 636 P C -0.342 176.974 177.300 0.027 0.000 1.210 636 P CA 0.190 63.305 63.100 0.025 0.000 0.789 636 P CB 0.635 32.348 31.700 0.022 0.000 0.849 637 R N -0.044 120.475 120.500 0.031 0.000 2.604 637 R HA 0.501 4.840 4.340 -0.002 0.000 0.270 637 R C 0.698 177.019 176.300 0.036 0.000 1.052 637 R CA 0.207 56.327 56.100 0.033 0.000 0.902 637 R CB 1.414 31.737 30.300 0.038 0.000 1.233 637 R HN 0.873 nan 8.270 nan 0.000 0.455 638 G N 3.047 111.868 108.800 0.034 0.000 2.627 638 G HA2 -0.435 3.524 3.960 -0.002 0.000 0.312 638 G HA3 -0.435 3.524 3.960 -0.002 0.000 0.312 638 G C 0.577 175.499 174.900 0.037 0.000 1.299 638 G CA 0.763 45.885 45.100 0.037 0.000 0.989 638 G HN 0.779 nan 8.290 nan 0.000 0.547 639 N N 1.537 120.263 118.700 0.043 0.000 2.353 639 N HA 0.385 5.124 4.740 -0.002 0.000 0.185 639 N C 1.088 176.624 175.510 0.044 0.000 1.098 639 N CA 1.359 54.434 53.050 0.042 0.000 0.872 639 N CB 0.036 38.551 38.487 0.046 0.000 0.970 639 N HN 1.115 nan 8.380 nan 0.000 0.467 640 A N 0.350 123.198 122.820 0.048 0.000 2.951 640 A HA 0.537 4.856 4.320 -0.002 0.000 0.239 640 A C -0.306 177.306 177.584 0.046 0.000 1.623 640 A CA -0.371 51.698 52.037 0.054 0.000 0.868 640 A CB 0.568 19.604 19.000 0.060 0.000 1.712 640 A HN 0.287 nan 8.150 nan 0.000 0.558 641 Q N -1.196 118.633 119.800 0.050 0.000 2.309 641 Q HA 0.558 4.896 4.340 -0.002 0.000 0.273 641 Q C -2.041 173.986 176.000 0.045 0.000 1.040 641 Q CA -0.521 55.307 55.803 0.042 0.000 0.834 641 Q CB 2.262 31.023 28.738 0.038 0.000 1.345 641 Q HN 0.553 nan 8.270 nan 0.000 0.414 642 V N 4.401 124.339 119.914 0.040 0.000 2.612 642 V HA 0.581 4.700 4.120 -0.002 0.000 0.301 642 V C -0.258 175.856 176.094 0.033 0.000 1.046 642 V CA -0.462 61.864 62.300 0.043 0.000 0.946 642 V CB 1.663 33.513 31.823 0.044 0.000 1.003 642 V HN 0.658 nan 8.190 nan 0.000 0.459 643 I N 4.026 124.617 120.570 0.034 0.000 2.498 643 I HA 0.615 4.784 4.170 -0.002 0.000 0.290 643 I C -0.481 175.640 176.117 0.006 0.000 1.032 643 I CA -0.729 60.581 61.300 0.016 0.000 1.073 643 I CB 2.151 40.163 38.000 0.021 0.000 1.251 643 I HN 0.550 nan 8.210 nan 0.000 0.426 644 R N 4.343 124.825 120.500 -0.030 0.000 2.803 644 R HA 0.979 5.318 4.340 -0.002 0.000 0.276 644 R C -0.933 175.281 176.300 -0.143 0.000 0.978 644 R CA -0.744 55.315 56.100 -0.067 0.000 0.939 644 R CB 2.203 32.456 30.300 -0.080 0.000 1.179 644 R HN 0.815 nan 8.270 nan 0.000 0.472 645 A N 0.829 123.521 122.820 -0.214 0.000 2.415 645 A HA 0.555 4.874 4.320 -0.002 0.000 0.294 645 A C -1.893 175.518 177.584 -0.288 0.000 1.019 645 A CA -0.875 50.974 52.037 -0.313 0.000 0.603 645 A CB 0.404 19.314 19.000 -0.149 0.000 1.382 645 A HN 0.379 nan 8.150 nan 0.000 0.483 646 F N -0.323 119.634 119.950 0.012 0.000 2.483 646 F HA 0.776 5.301 4.527 -0.002 0.000 0.329 646 F C 0.542 176.330 175.800 -0.020 0.000 1.064 646 F CA -0.157 57.849 58.000 0.009 0.000 0.986 646 F CB 2.120 41.144 39.000 0.039 0.000 1.218 646 F HN 0.947 nan 8.300 nan 0.000 0.484 647 V N -1.409 118.629 119.914 0.207 0.000 3.167 647 V HA 0.565 4.683 4.120 -0.002 0.000 0.293 647 V C -3.229 172.897 176.094 0.053 0.000 1.379 647 V CA -2.483 59.863 62.300 0.078 0.000 1.019 647 V CB 1.914 33.739 31.823 0.002 0.000 1.115 647 V HN 0.431 nan 8.190 nan 0.000 0.442 648 P HA 0.505 nan 4.420 nan 0.000 0.287 648 P C 0.879 178.214 177.300 0.059 0.000 1.281 648 P CA -0.272 62.858 63.100 0.050 0.000 0.781 648 P CB 1.219 32.955 31.700 0.060 0.000 0.903 649 L N 2.279 123.543 121.223 0.070 0.000 2.263 649 L HA -0.271 4.067 4.340 -0.002 0.000 0.216 649 L C 2.156 179.082 176.870 0.094 0.000 1.111 649 L CA 1.636 56.527 54.840 0.084 0.000 0.773 649 L CB -0.505 41.603 42.059 0.081 0.000 0.906 649 L HN 0.441 nan 8.230 nan 0.000 0.439 650 A N -0.333 122.530 122.820 0.072 0.000 1.854 650 A HA -0.179 4.139 4.320 -0.002 0.000 0.214 650 A C 1.724 179.371 177.584 0.106 0.000 1.192 650 A CA 1.150 53.233 52.037 0.078 0.000 0.611 650 A CB -0.220 18.826 19.000 0.076 0.000 0.832 650 A HN 0.303 nan 8.150 nan 0.000 0.442 651 E N -1.463 118.786 120.200 0.082 0.000 2.341 651 E HA 0.414 4.763 4.350 -0.002 0.000 0.279 651 E C -0.015 176.611 176.600 0.042 0.000 1.395 651 E CA 0.046 56.488 56.400 0.071 0.000 1.648 651 E CB 0.177 29.903 29.700 0.045 0.000 1.524 651 E HN 0.284 nan 8.360 nan 0.000 0.462 652 M N 1.293 120.945 119.600 0.088 0.000 2.622 652 M HA 0.302 4.780 4.480 -0.002 0.000 0.456 652 M C -1.298 175.085 176.300 0.138 0.000 1.168 652 M CA -0.358 54.965 55.300 0.038 0.000 0.930 652 M CB 0.383 33.006 32.600 0.039 0.000 1.919 652 M HN 0.204 nan 8.290 nan 0.000 0.640 653 F N 0.944 120.933 119.950 0.065 0.000 2.389 653 F HA 0.567 5.093 4.527 -0.002 0.000 0.337 653 F C 1.365 177.233 175.800 0.113 0.000 1.112 653 F CA 0.846 58.901 58.000 0.091 0.000 1.192 653 F CB 0.894 39.931 39.000 0.063 0.000 1.185 653 F HN 0.349 nan 8.300 nan 0.000 0.552 654 G N 4.962 112.977 108.800 -1.309 0.000 2.390 654 G HA2 -0.403 3.556 3.960 -0.002 0.000 0.299 654 G HA3 -0.403 3.556 3.960 -0.002 0.000 0.299 654 G C 0.373 175.108 174.900 -0.275 0.000 1.002 654 G CA 0.822 45.406 45.100 -0.861 0.000 0.979 654 G HN 0.982 nan 8.290 nan 0.000 0.513 655 Y N 0.151 120.283 120.300 -0.280 0.000 2.439 655 Y HA 0.177 4.726 4.550 -0.002 0.000 0.292 655 Y C 2.493 178.188 175.900 -0.341 0.000 1.130 655 Y CA 1.324 59.237 58.100 -0.311 0.000 1.254 655 Y CB -0.466 37.738 38.460 -0.427 0.000 1.000 655 Y HN 0.510 nan 8.280 nan 0.000 0.554 656 A N -0.020 122.661 122.820 -0.231 0.000 1.852 656 A HA -0.285 4.034 4.320 -0.002 0.000 0.217 656 A C 2.064 179.482 177.584 -0.277 0.000 1.215 656 A CA 2.880 54.800 52.037 -0.194 0.000 0.641 656 A CB -1.658 17.336 19.000 -0.010 0.000 0.838 656 A HN 0.500 nan 8.150 nan 0.000 0.450 657 T N -2.326 112.119 114.554 -0.181 0.000 3.570 657 T HA 0.106 4.454 4.350 -0.002 0.000 0.258 657 T C 0.169 174.774 174.700 -0.159 0.000 1.178 657 T CA 1.167 63.180 62.100 -0.144 0.000 1.002 657 T CB -0.206 68.611 68.868 -0.085 0.000 0.993 657 T HN 0.438 nan 8.240 nan 0.000 0.567 658 D N -0.638 119.610 120.400 -0.253 0.000 2.403 658 D HA 0.172 4.811 4.640 -0.002 0.000 0.280 658 D C 1.690 177.797 176.300 -0.322 0.000 1.091 658 D CA -0.389 53.490 54.000 -0.202 0.000 0.884 658 D CB -0.010 40.745 40.800 -0.075 0.000 1.427 658 D HN 0.170 nan 8.370 nan 0.000 0.504 659 L N 1.188 122.024 121.223 -0.645 0.000 2.095 659 L HA 0.120 4.459 4.340 -0.002 0.000 0.204 659 L C 1.532 178.179 176.870 -0.371 0.000 1.080 659 L CA 1.483 55.929 54.840 -0.656 0.000 0.759 659 L CB -0.330 41.059 42.059 -1.117 0.000 0.914 659 L HN -0.099 nan 8.230 nan 0.000 0.439 660 R N -0.886 119.425 120.500 -0.315 0.000 2.339 660 R HA 0.006 4.345 4.340 -0.002 0.000 0.199 660 R C 2.047 178.226 176.300 -0.202 0.000 1.018 660 R CA 0.663 56.624 56.100 -0.233 0.000 1.036 660 R CB 0.115 30.306 30.300 -0.182 0.000 0.899 660 R HN 0.340 nan 8.270 nan 0.000 0.473 661 S N 0.369 115.958 115.700 -0.186 0.000 2.387 661 S HA 0.036 4.504 4.470 -0.002 0.000 0.221 661 S C 1.402 175.936 174.600 -0.110 0.000 1.041 661 S CA 0.533 58.658 58.200 -0.126 0.000 0.959 661 S CB 0.231 63.376 63.200 -0.091 0.000 0.843 661 S HN 0.129 nan 8.310 nan 0.000 0.488 662 K N 1.785 122.115 120.400 -0.117 0.000 2.555 662 K HA 0.067 4.386 4.320 -0.002 0.000 0.193 662 K C 1.414 177.942 176.600 -0.119 0.000 1.032 662 K CA 0.990 57.251 56.287 -0.044 0.000 1.004 662 K CB -0.247 32.242 32.500 -0.018 0.000 0.804 662 K HN 0.616 nan 8.250 nan 0.000 0.496 663 T N -3.683 110.637 114.554 -0.389 0.000 3.130 663 T HA 0.057 4.405 4.350 -0.002 0.000 0.288 663 T C 0.291 174.464 174.700 -0.878 0.000 0.936 663 T CA -0.343 61.162 62.100 -0.992 0.000 0.897 663 T CB 0.174 68.638 68.868 -0.673 0.000 1.178 663 T HN 0.171 nan 8.240 nan 0.000 0.543 664 Q N 0.507 120.056 119.800 -0.418 0.000 2.426 664 Q HA -0.281 4.057 4.340 -0.002 0.000 0.254 664 Q C 1.277 177.143 176.000 -0.225 0.000 1.017 664 Q CA 1.125 56.788 55.803 -0.234 0.000 1.083 664 Q CB -2.203 26.461 28.738 -0.122 0.000 1.552 664 Q HN 1.159 nan 8.270 nan 0.000 0.532 665 G N -0.033 108.619 108.800 -0.247 0.000 2.436 665 G HA2 -0.299 3.659 3.960 -0.002 0.000 0.204 665 G HA3 -0.299 3.659 3.960 -0.002 0.000 0.204 665 G C 0.451 175.263 174.900 -0.146 0.000 1.026 665 G CA -0.075 44.919 45.100 -0.177 0.000 0.658 665 G HN 0.285 nan 8.290 nan 0.000 0.499 666 R N 1.625 122.003 120.500 -0.204 0.000 2.526 666 R HA 0.369 4.708 4.340 -0.002 0.000 0.223 666 R C 0.997 177.215 176.300 -0.137 0.000 1.250 666 R CA 0.576 56.593 56.100 -0.139 0.000 1.227 666 R CB -0.108 30.119 30.300 -0.121 0.000 1.109 666 R HN 0.464 nan 8.270 nan 0.000 0.499 667 G N 0.104 108.815 108.800 -0.148 0.000 2.542 667 G HA2 0.453 4.412 3.960 -0.002 0.000 0.311 667 G HA3 0.453 4.412 3.960 -0.002 0.000 0.311 667 G C -0.844 174.031 174.900 -0.041 0.000 1.298 667 G CA -0.425 44.610 45.100 -0.108 0.000 0.973 667 G HN 0.133 nan 8.290 nan 0.000 0.487 668 S N -0.068 115.646 115.700 0.023 0.000 2.541 668 S HA 0.840 5.309 4.470 -0.002 0.000 0.271 668 S C -0.968 173.762 174.600 0.218 0.000 1.133 668 S CA -0.874 57.388 58.200 0.104 0.000 0.876 668 S CB 1.851 65.087 63.200 0.060 0.000 1.105 668 S HN 1.612 nan 8.310 nan 0.000 0.470 669 F N 0.317 120.241 119.950 -0.044 0.000 2.692 669 F HA 0.918 5.443 4.527 -0.002 0.000 0.320 669 F C -0.866 174.902 175.800 -0.053 0.000 1.123 669 F CA -1.071 56.920 58.000 -0.014 0.000 0.961 669 F CB 0.666 39.714 39.000 0.079 0.000 1.383 669 F HN 0.777 nan 8.300 nan 0.000 0.483 670 V N -0.260 119.512 119.914 -0.237 0.000 3.105 670 V HA 0.822 4.941 4.120 -0.002 0.000 0.311 670 V C -1.097 174.608 176.094 -0.648 0.000 1.282 670 V CA -1.057 60.904 62.300 -0.564 0.000 1.065 670 V CB 1.859 33.405 31.823 -0.462 0.000 1.136 670 V HN 1.249 nan 8.190 nan 0.000 0.469 671 M N 0.879 119.880 119.600 -0.999 0.000 2.415 671 M HA 0.665 5.144 4.480 -0.002 0.000 0.292 671 M C -2.653 173.205 176.300 -0.736 0.000 1.107 671 M CA -0.094 54.802 55.300 -0.674 0.000 0.927 671 M CB 1.916 34.372 32.600 -0.240 0.000 1.808 671 M HN 0.758 nan 8.290 nan 0.000 0.509 672 F N 2.893 122.898 119.950 0.091 0.000 2.626 672 F HA 0.638 5.163 4.527 -0.002 0.000 0.311 672 F C -0.757 175.126 175.800 0.139 0.000 1.088 672 F CA -0.891 57.171 58.000 0.103 0.000 0.949 672 F CB 1.319 40.368 39.000 0.083 0.000 1.322 672 F HN 0.468 nan 8.300 nan 0.000 0.461 673 F N 1.159 121.238 119.950 0.214 0.000 2.368 673 F HA 0.489 5.014 4.527 -0.002 0.000 0.315 673 F C 0.237 176.095 175.800 0.097 0.000 1.145 673 F CA 0.108 58.156 58.000 0.080 0.000 1.095 673 F CB 1.267 40.262 39.000 -0.008 0.000 1.286 673 F HN 0.684 nan 8.300 nan 0.000 0.530 674 D N -1.229 118.413 120.400 -1.263 0.000 2.573 674 D HA 0.074 4.712 4.640 -0.002 0.000 0.118 674 D C -0.896 174.897 176.300 -0.846 0.000 1.480 674 D CA 0.272 53.879 54.000 -0.654 0.000 1.470 674 D CB 0.242 40.869 40.800 -0.288 0.000 2.083 674 D HN 0.600 nan 8.370 nan 0.000 0.220 675 H N -1.851 116.573 119.070 -1.077 0.000 2.949 675 H HA 0.495 5.050 4.556 -0.002 0.000 0.310 675 H C -1.444 173.591 175.328 -0.489 0.000 1.405 675 H CA -0.652 55.015 56.048 -0.636 0.000 1.253 675 H CB -0.144 29.422 29.762 -0.328 0.000 1.932 675 H HN 0.131 nan 8.280 nan 0.000 0.602 676 Y N -0.029 120.245 120.300 -0.044 0.000 2.528 676 Y HA 0.424 4.973 4.550 -0.002 0.000 0.335 676 Y C 0.186 176.005 175.900 -0.134 0.000 1.093 676 Y CA -0.332 57.752 58.100 -0.026 0.000 1.134 676 Y CB 1.888 40.433 38.460 0.142 0.000 1.253 676 Y HN 0.799 nan 8.280 nan 0.000 0.478 677 Q N 0.382 120.253 119.800 0.118 0.000 2.617 677 Q HA 0.247 4.585 4.340 -0.002 0.000 0.270 677 Q C -1.454 174.581 176.000 0.059 0.000 0.967 677 Q CA -1.040 54.783 55.803 0.034 0.000 0.887 677 Q CB 1.430 30.106 28.738 -0.103 0.000 1.516 677 Q HN 0.716 nan 8.270 nan 0.000 0.395 678 E N 1.308 121.538 120.200 0.049 0.000 2.604 678 E HA 0.086 4.435 4.350 -0.002 0.000 0.267 678 E C -0.354 176.269 176.600 0.038 0.000 0.970 678 E CA 0.310 56.734 56.400 0.039 0.000 0.956 678 E CB 0.663 30.380 29.700 0.029 0.000 0.939 678 E HN 0.492 nan 8.360 nan 0.000 0.465 679 V N 1.694 121.624 119.914 0.027 0.000 2.617 679 V HA 0.336 4.454 4.120 -0.002 0.000 0.298 679 V C -2.027 174.073 176.094 0.010 0.000 1.048 679 V CA -1.943 60.372 62.300 0.026 0.000 0.964 679 V CB 1.253 33.080 31.823 0.007 0.000 1.004 679 V HN 0.666 nan 8.190 nan 0.000 0.466 680 P HA -0.080 nan 4.420 nan 0.000 0.301 680 P C 1.175 178.475 177.300 0.000 0.000 1.445 680 P CA 0.906 64.013 63.100 0.011 0.000 0.741 680 P CB -0.314 31.397 31.700 0.017 0.000 1.426 681 K N 0.774 121.168 120.400 -0.009 0.000 8.476 681 K HA -0.384 3.935 4.320 -0.002 0.000 0.488 681 K C 1.528 178.115 176.600 -0.021 0.000 0.381 681 K CA 2.627 58.903 56.287 -0.018 0.000 1.931 681 K CB -1.703 30.790 32.500 -0.011 0.000 0.770 681 K HN 0.440 nan 8.250 nan 0.000 0.953 682 Q N 0.564 120.357 119.800 -0.012 0.000 2.308 682 Q HA -0.100 4.239 4.340 -0.002 0.000 0.209 682 Q C 1.681 177.671 176.000 -0.017 0.000 0.985 682 Q CA 2.172 57.968 55.803 -0.012 0.000 0.881 682 Q CB -0.220 28.516 28.738 -0.004 0.000 0.917 682 Q HN 0.396 nan 8.270 nan 0.000 0.443 683 V N 0.104 120.007 119.914 -0.019 0.000 3.647 683 V HA -0.014 4.104 4.120 -0.002 0.000 0.279 683 V C 1.729 177.784 176.094 -0.065 0.000 1.314 683 V CA 0.585 62.868 62.300 -0.028 0.000 1.125 683 V CB 0.078 31.897 31.823 -0.006 0.000 0.907 683 V HN 0.164 nan 8.190 nan 0.000 0.434 684 Q N 1.536 121.298 119.800 -0.064 0.000 2.033 684 Q HA -0.100 4.238 4.340 -0.002 0.000 0.196 684 Q C 2.022 177.968 176.000 -0.090 0.000 0.970 684 Q CA 1.741 57.492 55.803 -0.088 0.000 0.828 684 Q CB -0.016 28.683 28.738 -0.065 0.000 0.895 684 Q HN 0.642 nan 8.270 nan 0.000 0.440 685 E N -0.096 120.066 120.200 -0.063 0.000 2.427 685 E HA -0.072 4.277 4.350 -0.002 0.000 0.196 685 E C 1.400 177.965 176.600 -0.058 0.000 1.028 685 E CA 0.212 56.578 56.400 -0.057 0.000 0.864 685 E CB 0.086 29.761 29.700 -0.040 0.000 0.813 685 E HN 0.080 nan 8.360 nan 0.000 0.514 686 K N 1.082 121.448 120.400 -0.057 0.000 2.009 686 K HA -0.108 4.210 4.320 -0.002 0.000 0.210 686 K C 1.691 178.250 176.600 -0.067 0.000 1.049 686 K CA 1.190 57.447 56.287 -0.049 0.000 0.929 686 K CB -0.326 32.152 32.500 -0.037 0.000 0.714 686 K HN 0.246 nan 8.250 nan 0.000 0.440 687 L N 1.276 122.435 121.223 -0.107 0.000 2.549 687 L HA -0.075 4.263 4.340 -0.002 0.000 0.229 687 L C 0.460 177.249 176.870 -0.135 0.000 1.158 687 L CA -0.177 54.575 54.840 -0.148 0.000 0.842 687 L CB -0.124 41.773 42.059 -0.270 0.000 0.952 687 L HN 0.034 nan 8.230 nan 0.000 0.452 688 I N 1.157 121.663 120.570 -0.106 0.000 2.357 688 I HA 0.032 4.201 4.170 -0.002 0.000 0.300 688 I C 0.372 176.445 176.117 -0.074 0.000 1.159 688 I CA 0.591 61.836 61.300 -0.092 0.000 1.339 688 I CB -0.299 37.657 38.000 -0.073 0.000 1.458 688 I HN 0.012 nan 8.210 nan 0.000 0.577 689 K N 0.000 120.353 120.400 -0.079 0.000 2.780 689 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 689 K CA 0.000 56.251 56.287 -0.061 0.000 0.838 689 K CB 0.000 32.467 32.500 -0.055 0.000 1.064 689 K HN 0.000 nan 8.250 nan 0.000 0.543