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 1fah_1_A DATA FIRST_RESID 1 DATA SEQUENCE TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR DATA SEQUENCE YLSSQRLIKE ACDESRFDKN LSQALKFVRD FAGDGLFTSW THEKNWKKAH DATA SEQUENCE NILLPSFSQQ AMKGYHAMMV DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DATA SEQUENCE DTIGLCGFNY RFNSFYRDQP HPFITSMVRA LDEAMNKLQR ANPDDPAYDE DATA SEQUENCE NKRQFQEDIK VMNDLVDKII ADRKASGEQS DDLLTHMLNG KDPETGEPLD DATA SEQUENCE DENIRYQIIT FLIAGHEATS GLLSFALYFL VKNPHVLQKA AEEAARVLVD DATA SEQUENCE PVPSYKQVKQ LKYVGMVLNE ALRLWPTAPA FSLYAKEDTV LGGEYPLEKG DATA SEQUENCE DELMVLIPQL HRDKTIWGDD VEEFRPERFE NPSAIPQHAF KPFGNGQRAC DATA SEQUENCE IGQQFALHEA TLVLGMMLKH FDFEDHTNYE LDIKETLTLK PEGFVVKAKS DATA SEQUENCE KKIPL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.621 174.700 -0.131 0.000 1.109 1 T CA 0.000 62.056 62.100 -0.074 0.000 1.349 1 T CB 0.000 68.836 68.868 -0.054 0.000 0.612 2 I N 1.248 121.736 120.570 -0.138 0.000 2.587 2 I HA 0.483 4.653 4.170 -0.000 0.000 0.284 2 I C 0.034 176.022 176.117 -0.215 0.000 1.134 2 I CA -0.088 61.084 61.300 -0.214 0.000 1.410 2 I CB 0.380 38.295 38.000 -0.142 0.000 1.392 2 I HN 0.234 nan 8.210 nan 0.000 0.545 3 K N 5.579 125.764 120.400 -0.359 0.000 2.156 3 K HA 0.330 4.650 4.320 -0.000 0.000 0.254 3 K C -0.362 176.189 176.600 -0.082 0.000 0.950 3 K CA -0.759 55.413 56.287 -0.193 0.000 0.849 3 K CB 1.941 34.362 32.500 -0.132 0.000 1.100 3 K HN 0.669 nan 8.250 nan 0.000 0.434 4 E N 2.290 122.506 120.200 0.026 0.000 2.383 4 E HA 0.024 4.374 4.350 -0.000 0.000 0.264 4 E C -0.807 175.903 176.600 0.183 0.000 1.050 4 E CA -0.171 56.280 56.400 0.085 0.000 0.896 4 E CB 0.785 30.519 29.700 0.056 0.000 0.982 4 E HN 0.352 nan 8.360 nan 0.000 0.424 5 M N 5.765 125.481 119.600 0.194 0.000 2.144 5 M HA 0.300 4.780 4.480 -0.000 0.000 0.356 5 M C -2.068 174.318 176.300 0.145 0.000 1.217 5 M CA -1.836 53.587 55.300 0.204 0.000 1.087 5 M CB 1.094 33.802 32.600 0.180 0.000 1.609 5 M HN 0.417 nan 8.290 nan 0.000 0.467 6 P HA 0.185 nan 4.420 nan 0.000 0.277 6 P C -1.841 175.543 177.300 0.140 0.000 1.276 6 P CA -0.366 62.804 63.100 0.117 0.000 0.788 6 P CB 0.790 32.555 31.700 0.107 0.000 1.114 7 Q N -0.557 119.292 119.800 0.082 0.000 2.438 7 Q HA 0.408 4.748 4.340 -0.000 0.000 0.272 7 Q C -2.862 173.129 176.000 -0.015 0.000 0.994 7 Q CA -1.441 54.408 55.803 0.077 0.000 0.887 7 Q CB 1.828 30.594 28.738 0.047 0.000 1.432 7 Q HN 0.194 nan 8.270 nan 0.000 0.392 8 P HA 0.164 nan 4.420 nan 0.000 0.277 8 P C -1.469 175.776 177.300 -0.092 0.000 1.276 8 P CA -0.506 62.547 63.100 -0.078 0.000 0.788 8 P CB 0.400 32.073 31.700 -0.046 0.000 1.114 9 K N -0.812 119.525 120.400 -0.106 0.000 2.414 9 K HA 0.339 4.659 4.320 -0.000 0.000 0.272 9 K C 0.088 176.511 176.600 -0.295 0.000 0.993 9 K CA -0.189 55.970 56.287 -0.213 0.000 0.964 9 K CB -0.542 31.796 32.500 -0.270 0.000 0.925 9 K HN 0.470 nan 8.250 nan 0.000 0.487 10 T N -1.225 113.096 114.554 -0.390 0.000 2.937 10 T HA 0.551 4.901 4.350 -0.000 0.000 0.283 10 T C -0.401 173.910 174.700 -0.649 0.000 1.012 10 T CA -0.919 60.993 62.100 -0.314 0.000 0.997 10 T CB 0.429 69.206 68.868 -0.153 0.000 1.136 10 T HN 0.465 nan 8.240 nan 0.000 0.551 11 F N 0.645 120.565 119.950 -0.050 0.000 2.593 11 F HA 0.584 5.111 4.527 -0.000 0.000 0.336 11 F C 1.353 177.138 175.800 -0.024 0.000 1.491 11 F CA -0.267 57.715 58.000 -0.030 0.000 1.114 11 F CB 0.429 39.416 39.000 -0.021 0.000 1.468 11 F HN 1.253 nan 8.300 nan 0.000 0.579 12 G N 1.584 110.416 108.800 0.054 0.000 2.550 12 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.277 12 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.277 12 G C 0.989 175.915 174.900 0.043 0.000 1.190 12 G CA 0.698 45.822 45.100 0.039 0.000 0.971 12 G HN 0.464 nan 8.290 nan 0.000 0.559 13 E N 0.265 120.490 120.200 0.041 0.000 2.409 13 E HA 0.191 4.541 4.350 -0.000 0.000 0.198 13 E C 2.312 178.939 176.600 0.044 0.000 1.024 13 E CA 1.060 57.480 56.400 0.034 0.000 0.861 13 E CB -0.031 29.685 29.700 0.027 0.000 0.788 13 E HN 0.380 nan 8.360 nan 0.000 0.521 14 L N 0.302 121.567 121.223 0.069 0.000 2.492 14 L HA 0.037 4.377 4.340 -0.000 0.000 0.223 14 L C 0.309 177.233 176.870 0.090 0.000 1.132 14 L CA 0.711 55.595 54.840 0.073 0.000 0.850 14 L CB -0.205 41.898 42.059 0.075 0.000 0.966 14 L HN -0.055 nan 8.230 nan 0.000 0.454 15 K N -0.548 119.910 120.400 0.097 0.000 1.987 15 K HA -0.350 3.970 4.320 -0.000 0.000 0.206 15 K C 0.965 177.641 176.600 0.126 0.000 1.587 15 K CA 1.892 58.212 56.287 0.055 0.000 0.589 15 K CB -1.522 30.969 32.500 -0.015 0.000 0.682 15 K HN 0.325 nan 8.250 nan 0.000 0.876 16 N N 1.224 119.864 118.700 -0.101 0.000 2.521 16 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 16 N C 1.462 176.947 175.510 -0.042 0.000 1.146 16 N CA 0.403 53.319 53.050 -0.222 0.000 0.893 16 N CB -0.027 37.812 38.487 -1.080 0.000 0.975 16 N HN 0.295 nan 8.380 nan 0.000 0.451 17 L N 1.977 123.234 121.223 0.057 0.000 2.010 17 L HA -0.144 4.196 4.340 -0.000 0.000 0.219 17 L C -0.932 175.981 176.870 0.072 0.000 1.077 17 L CA 2.173 57.109 54.840 0.161 0.000 0.773 17 L CB -1.155 40.958 42.059 0.090 0.000 0.892 17 L HN 0.073 nan 8.230 nan 0.000 0.436 18 P HA -0.166 nan 4.420 nan 0.000 0.218 18 P C 2.033 179.217 177.300 -0.194 0.000 1.146 18 P CA 1.248 64.110 63.100 -0.396 0.000 0.813 18 P CB -0.084 30.902 31.700 -1.190 0.000 0.778 19 L N -1.593 119.655 121.223 0.042 0.000 2.127 19 L HA -0.157 4.182 4.340 -0.000 0.000 0.211 19 L C 1.649 178.610 176.870 0.153 0.000 1.089 19 L CA 1.213 56.174 54.840 0.203 0.000 0.757 19 L CB -0.884 41.423 42.059 0.414 0.000 0.899 19 L HN 0.095 nan 8.230 nan 0.000 0.434 20 L N -4.602 116.718 121.223 0.162 0.000 2.769 20 L HA 0.248 4.588 4.340 -0.000 0.000 0.240 20 L C 0.819 177.696 176.870 0.013 0.000 1.163 20 L CA 0.366 55.229 54.840 0.039 0.000 0.962 20 L CB -0.804 41.224 42.059 -0.051 0.000 1.258 20 L HN 0.031 nan 8.230 nan 0.000 0.513 21 N N 1.512 120.211 118.700 -0.001 0.000 2.971 21 N HA 0.076 4.815 4.740 -0.000 0.000 0.294 21 N C -0.515 174.977 175.510 -0.029 0.000 1.210 21 N CA 0.424 53.457 53.050 -0.027 0.000 1.157 21 N CB 0.144 38.591 38.487 -0.067 0.000 1.450 21 N HN 0.540 nan 8.380 nan 0.000 0.527 22 T N -0.673 113.870 114.554 -0.019 0.000 2.792 22 T HA 0.072 4.422 4.350 -0.000 0.000 0.303 22 T C 0.226 174.916 174.700 -0.016 0.000 1.310 22 T CA -0.669 61.420 62.100 -0.018 0.000 1.007 22 T CB 1.008 69.867 68.868 -0.016 0.000 1.335 22 T HN 0.358 nan 8.240 nan 0.000 0.504 23 D N 0.973 121.364 120.400 -0.016 0.000 2.349 23 D HA 0.067 4.707 4.640 -0.000 0.000 0.224 23 D C 0.167 176.458 176.300 -0.016 0.000 1.029 23 D CA 0.116 54.107 54.000 -0.014 0.000 0.879 23 D CB 0.206 40.997 40.800 -0.016 0.000 0.906 23 D HN 0.463 nan 8.370 nan 0.000 0.528 24 K N 0.562 120.952 120.400 -0.017 0.000 3.029 24 K HA 0.241 4.561 4.320 -0.000 0.000 0.169 24 K C -2.253 174.337 176.600 -0.017 0.000 1.090 24 K CA -1.460 54.816 56.287 -0.018 0.000 0.883 24 K CB 2.164 34.650 32.500 -0.024 0.000 1.080 24 K HN -0.164 nan 8.250 nan 0.000 0.613 25 P HA -0.183 nan 4.420 nan 0.000 0.213 25 P C 1.390 178.657 177.300 -0.055 0.000 1.170 25 P CA 0.840 63.914 63.100 -0.043 0.000 0.898 25 P CB 0.293 31.969 31.700 -0.041 0.000 0.787 26 V N -0.335 119.564 119.914 -0.025 0.000 2.392 26 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 26 V C 2.492 178.598 176.094 0.020 0.000 1.059 26 V CA 1.873 64.169 62.300 -0.008 0.000 1.051 26 V CB -1.399 30.448 31.823 0.039 0.000 0.658 26 V HN 0.173 nan 8.190 nan 0.000 0.455 27 Q N -0.482 119.342 119.800 0.040 0.000 2.167 27 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 27 Q C 2.404 178.424 176.000 0.034 0.000 0.970 27 Q CA 1.548 57.395 55.803 0.072 0.000 0.855 27 Q CB -0.331 28.441 28.738 0.057 0.000 0.911 27 Q HN 0.701 nan 8.270 nan 0.000 0.438 28 A N 0.635 123.454 122.820 -0.003 0.000 1.898 28 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 28 A C 2.001 179.561 177.584 -0.040 0.000 1.181 28 A CA 0.874 52.901 52.037 -0.018 0.000 0.620 28 A CB -0.585 18.401 19.000 -0.023 0.000 0.819 28 A HN 0.291 nan 8.150 nan 0.000 0.442 29 L N -1.031 120.149 121.223 -0.071 0.000 2.127 29 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 29 L C 2.779 179.650 176.870 0.001 0.000 1.089 29 L CA 1.419 56.207 54.840 -0.087 0.000 0.757 29 L CB -0.455 41.471 42.059 -0.222 0.000 0.899 29 L HN 0.437 nan 8.230 nan 0.000 0.434 30 M N -1.084 118.523 119.600 0.011 0.000 2.229 30 M HA -0.183 4.296 4.480 -0.000 0.000 0.264 30 M C 2.319 178.627 176.300 0.014 0.000 1.063 30 M CA 1.402 56.721 55.300 0.031 0.000 1.114 30 M CB -0.257 32.371 32.600 0.047 0.000 1.387 30 M HN 0.099 nan 8.290 nan 0.000 0.420 31 K N 1.091 121.488 120.400 -0.004 0.000 2.025 31 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 31 K C 1.734 178.292 176.600 -0.069 0.000 1.049 31 K CA 1.372 57.647 56.287 -0.021 0.000 0.933 31 K CB -0.230 32.261 32.500 -0.015 0.000 0.714 31 K HN 0.332 nan 8.250 nan 0.000 0.438 32 I N 0.931 121.424 120.570 -0.129 0.000 2.286 32 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 32 I C 2.430 178.340 176.117 -0.344 0.000 1.115 32 I CA 1.055 62.173 61.300 -0.302 0.000 1.392 32 I CB -0.329 37.382 38.000 -0.483 0.000 1.065 32 I HN 0.131 nan 8.210 nan 0.000 0.418 33 A N 0.609 123.368 122.820 -0.102 0.000 1.902 33 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 33 A C 1.959 179.564 177.584 0.035 0.000 1.181 33 A CA 2.005 54.116 52.037 0.123 0.000 0.623 33 A CB -0.554 18.571 19.000 0.208 0.000 0.818 33 A HN 0.338 nan 8.150 nan 0.000 0.443 34 D N -0.124 120.275 120.400 -0.002 0.000 2.123 34 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 34 D C 1.966 178.257 176.300 -0.015 0.000 0.992 34 D CA 1.701 55.701 54.000 -0.001 0.000 0.833 34 D CB -0.341 40.456 40.800 -0.005 0.000 0.954 34 D HN 0.707 nan 8.370 nan 0.000 0.455 35 E N 0.020 120.188 120.200 -0.053 0.000 2.016 35 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 35 E C 2.049 178.618 176.600 -0.052 0.000 0.985 35 E CA 0.462 56.827 56.400 -0.058 0.000 0.802 35 E CB -0.082 29.565 29.700 -0.089 0.000 0.762 35 E HN 0.084 nan 8.360 nan 0.000 0.448 36 L N -0.202 120.961 121.223 -0.101 0.000 2.376 36 L HA 0.089 4.429 4.340 -0.000 0.000 0.219 36 L C 1.172 178.078 176.870 0.060 0.000 1.133 36 L CA 1.379 56.190 54.840 -0.049 0.000 0.816 36 L CB -0.837 41.124 42.059 -0.162 0.000 0.933 36 L HN 0.327 nan 8.230 nan 0.000 0.449 37 G N -0.140 108.705 108.800 0.076 0.000 2.610 37 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.304 37 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.304 37 G C 0.581 175.563 174.900 0.137 0.000 1.309 37 G CA -0.052 45.107 45.100 0.098 0.000 0.906 37 G HN 0.376 nan 8.290 nan 0.000 0.521 38 E N -0.707 119.542 120.200 0.081 0.000 2.501 38 E HA 0.119 4.469 4.350 -0.000 0.000 0.203 38 E C 1.059 177.638 176.600 -0.035 0.000 1.072 38 E CA 1.361 57.780 56.400 0.033 0.000 0.885 38 E CB 0.402 30.109 29.700 0.012 0.000 0.813 38 E HN 1.157 nan 8.360 nan 0.000 0.556 39 I N 0.146 120.715 120.570 -0.000 0.000 2.735 39 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 39 I C -1.861 174.295 176.117 0.064 0.000 1.452 39 I CA -1.105 60.117 61.300 -0.131 0.000 1.061 39 I CB 1.140 38.882 38.000 -0.431 0.000 1.383 39 I HN 0.076 nan 8.210 nan 0.000 0.425 40 F N 5.126 125.077 119.950 0.001 0.000 2.613 40 F HA 0.580 5.107 4.527 -0.000 0.000 0.310 40 F C -1.370 174.512 175.800 0.137 0.000 1.085 40 F CA -1.029 57.010 58.000 0.065 0.000 0.945 40 F CB 1.273 40.326 39.000 0.088 0.000 1.298 40 F HN 0.344 nan 8.300 nan 0.000 0.455 41 K N 2.773 123.368 120.400 0.325 0.000 2.253 41 K HA 0.406 4.726 4.320 -0.000 0.000 0.277 41 K C -2.051 174.777 176.600 0.380 0.000 1.053 41 K CA -0.397 56.034 56.287 0.240 0.000 0.892 41 K CB 0.631 33.217 32.500 0.144 0.000 1.102 41 K HN 0.751 nan 8.250 nan 0.000 0.469 42 F N 3.750 123.874 119.950 0.290 0.000 2.385 42 F HA 0.258 4.785 4.527 -0.000 0.000 0.360 42 F C -0.281 175.637 175.800 0.196 0.000 1.122 42 F CA -0.446 57.750 58.000 0.328 0.000 1.090 42 F CB 1.197 40.505 39.000 0.514 0.000 1.150 42 F HN 0.578 nan 8.300 nan 0.000 0.472 43 E N 4.470 124.584 120.200 -0.143 0.000 2.195 43 E HA 0.738 5.088 4.350 -0.000 0.000 0.271 43 E C -1.431 175.117 176.600 -0.088 0.000 0.923 43 E CA -0.851 55.522 56.400 -0.046 0.000 0.790 43 E CB 1.635 31.308 29.700 -0.045 0.000 1.155 43 E HN 0.755 nan 8.360 nan 0.000 0.402 44 A N 4.268 127.119 122.820 0.051 0.000 2.387 44 A HA 0.547 4.866 4.320 -0.000 0.000 0.303 44 A C -2.169 175.443 177.584 0.047 0.000 1.145 44 A CA -1.496 50.586 52.037 0.076 0.000 0.801 44 A CB 0.874 19.966 19.000 0.154 0.000 1.342 44 A HN 0.537 nan 8.150 nan 0.000 0.440 45 P HA -0.179 nan 4.420 nan 0.000 0.218 45 P C 0.902 178.219 177.300 0.029 0.000 1.165 45 P CA 2.591 65.711 63.100 0.034 0.000 0.922 45 P CB 0.216 31.938 31.700 0.037 0.000 0.794 46 G N -2.108 106.711 108.800 0.033 0.000 4.864 46 G HA2 0.405 4.364 3.960 -0.000 0.000 0.280 46 G HA3 0.405 4.364 3.960 -0.000 0.000 0.280 46 G C -0.390 174.526 174.900 0.026 0.000 1.239 46 G CA -0.114 45.000 45.100 0.024 0.000 0.951 46 G HN 0.119 nan 8.290 nan 0.000 0.583 47 R N -0.168 120.355 120.500 0.038 0.000 2.579 47 R HA 0.537 4.877 4.340 -0.000 0.000 0.260 47 R C -1.832 174.507 176.300 0.064 0.000 1.103 47 R CA -0.328 55.798 56.100 0.043 0.000 0.942 47 R CB 1.922 32.251 30.300 0.049 0.000 1.251 47 R HN 0.002 nan 8.270 nan 0.000 0.450 48 V N 2.515 122.459 119.914 0.051 0.000 2.680 48 V HA 0.710 4.830 4.120 -0.000 0.000 0.309 48 V C -0.623 175.494 176.094 0.039 0.000 1.052 48 V CA -0.591 61.746 62.300 0.061 0.000 0.908 48 V CB 2.273 34.119 31.823 0.039 0.000 1.001 48 V HN 0.887 nan 8.190 nan 0.000 0.431 49 T N 3.651 118.239 114.554 0.056 0.000 2.933 49 T HA 0.584 4.934 4.350 -0.000 0.000 0.305 49 T C -0.695 173.915 174.700 -0.151 0.000 1.092 49 T CA -0.795 61.243 62.100 -0.104 0.000 1.008 49 T CB 1.889 70.625 68.868 -0.219 0.000 1.102 49 T HN 0.573 nan 8.240 nan 0.000 0.469 50 R N 1.292 121.607 120.500 -0.309 0.000 2.393 50 R HA 0.486 4.825 4.340 -0.000 0.000 0.315 50 R C -1.325 174.643 176.300 -0.554 0.000 0.952 50 R CA -0.649 55.270 56.100 -0.302 0.000 0.842 50 R CB 1.027 31.204 30.300 -0.204 0.000 1.163 50 R HN 0.557 nan 8.270 nan 0.000 0.450 51 Y N 3.480 123.435 120.300 -0.574 0.000 2.350 51 Y HA 0.266 4.816 4.550 -0.000 0.000 0.340 51 Y C -0.134 175.437 175.900 -0.548 0.000 1.006 51 Y CA -0.667 57.044 58.100 -0.649 0.000 1.166 51 Y CB 0.801 38.657 38.460 -1.007 0.000 1.168 51 Y HN 0.255 nan 8.280 nan 0.000 0.502 52 L N 2.076 123.119 121.223 -0.299 0.000 2.343 52 L HA 0.426 4.766 4.340 -0.000 0.000 0.275 52 L C 0.713 177.485 176.870 -0.163 0.000 1.056 52 L CA 0.442 55.135 54.840 -0.246 0.000 0.804 52 L CB 1.761 43.651 42.059 -0.281 0.000 1.203 52 L HN 0.660 nan 8.230 nan 0.000 0.440 53 S N -1.454 114.187 115.700 -0.100 0.000 2.744 53 S HA 0.123 4.593 4.470 -0.000 0.000 0.265 53 S C 0.150 174.741 174.600 -0.015 0.000 1.065 53 S CA -0.216 57.959 58.200 -0.042 0.000 1.191 53 S CB 0.534 63.745 63.200 0.018 0.000 1.150 53 S HN 0.674 nan 8.310 nan 0.000 0.646 54 S N 1.174 116.859 115.700 -0.025 0.000 2.509 54 S HA 0.435 4.905 4.470 -0.000 0.000 0.297 54 S C 0.603 175.210 174.600 0.011 0.000 1.118 54 S CA -0.597 57.608 58.200 0.010 0.000 1.074 54 S CB 1.720 64.927 63.200 0.013 0.000 1.038 54 S HN 0.071 nan 8.310 nan 0.000 0.498 55 Q N 1.643 121.473 119.800 0.049 0.000 2.170 55 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 55 Q C 2.030 178.053 176.000 0.039 0.000 0.976 55 Q CA 1.333 57.174 55.803 0.063 0.000 0.858 55 Q CB -0.233 28.549 28.738 0.073 0.000 0.907 55 Q HN 0.888 nan 8.270 nan 0.000 0.433 56 R N -0.019 120.497 120.500 0.027 0.000 2.082 56 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 56 R C 2.433 178.740 176.300 0.012 0.000 1.136 56 R CA 1.699 57.815 56.100 0.026 0.000 0.935 56 R CB -0.329 29.991 30.300 0.033 0.000 0.842 56 R HN 0.324 nan 8.270 nan 0.000 0.430 57 L N 0.124 121.338 121.223 -0.015 0.000 2.095 57 L HA -0.054 4.285 4.340 -0.000 0.000 0.204 57 L C 2.548 179.344 176.870 -0.123 0.000 1.080 57 L CA 0.715 55.519 54.840 -0.061 0.000 0.759 57 L CB -0.292 41.706 42.059 -0.101 0.000 0.914 57 L HN 0.230 nan 8.230 nan 0.000 0.439 58 I N 0.854 121.354 120.570 -0.116 0.000 2.286 58 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 58 I C 2.603 178.630 176.117 -0.149 0.000 1.115 58 I CA 1.408 62.616 61.300 -0.153 0.000 1.392 58 I CB -0.272 37.669 38.000 -0.099 0.000 1.065 58 I HN 0.363 nan 8.210 nan 0.000 0.418 59 K N 0.806 121.172 120.400 -0.057 0.000 2.283 59 K HA -0.150 4.170 4.320 -0.000 0.000 0.202 59 K C 1.571 178.112 176.600 -0.099 0.000 1.048 59 K CA 1.280 57.542 56.287 -0.042 0.000 0.948 59 K CB -0.195 32.408 32.500 0.171 0.000 0.742 59 K HN 0.388 nan 8.250 nan 0.000 0.458 60 E N 0.651 120.802 120.200 -0.082 0.000 2.122 60 E HA 0.002 4.351 4.350 -0.000 0.000 0.190 60 E C 1.986 178.506 176.600 -0.133 0.000 0.977 60 E CA 0.623 56.998 56.400 -0.041 0.000 0.820 60 E CB 0.069 29.768 29.700 -0.001 0.000 0.770 60 E HN 0.490 nan 8.360 nan 0.000 0.462 61 A N 0.327 122.932 122.820 -0.359 0.000 2.067 61 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 61 A C 2.038 179.422 177.584 -0.334 0.000 1.158 61 A CA 0.647 52.271 52.037 -0.688 0.000 0.661 61 A CB -0.369 18.238 19.000 -0.656 0.000 0.801 61 A HN 0.315 nan 8.150 nan 0.000 0.452 62 C N 0.648 119.793 119.300 -0.259 0.000 2.613 62 C HA 0.114 4.574 4.460 -0.000 0.000 0.273 62 C C 0.674 175.601 174.990 -0.105 0.000 1.304 62 C CA -0.560 58.319 59.018 -0.232 0.000 1.702 62 C CB -1.617 25.757 27.740 -0.610 0.000 1.792 62 C HN 0.508 nan 8.230 nan 0.000 0.588 63 D N 1.293 121.701 120.400 0.013 0.000 2.374 63 D HA 0.053 4.692 4.640 -0.000 0.000 0.240 63 D C 1.067 177.430 176.300 0.106 0.000 1.229 63 D CA 0.187 54.240 54.000 0.088 0.000 0.895 63 D CB 0.362 41.243 40.800 0.135 0.000 1.046 63 D HN 0.448 nan 8.370 nan 0.000 0.498 64 E N 1.072 121.305 120.200 0.055 0.000 2.333 64 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 64 E C 1.605 178.193 176.600 -0.020 0.000 1.007 64 E CA 0.846 57.257 56.400 0.019 0.000 0.845 64 E CB 0.173 29.883 29.700 0.016 0.000 0.766 64 E HN 0.490 nan 8.360 nan 0.000 0.507 65 S N -0.015 115.675 115.700 -0.016 0.000 2.527 65 S HA 0.047 4.517 4.470 -0.000 0.000 0.222 65 S C 1.726 176.255 174.600 -0.118 0.000 0.985 65 S CA 0.145 58.315 58.200 -0.051 0.000 0.921 65 S CB 0.231 63.414 63.200 -0.028 0.000 0.772 65 S HN 0.145 nan 8.310 nan 0.000 0.529 66 R N -0.965 119.447 120.500 -0.147 0.000 2.257 66 R HA 0.433 4.773 4.340 -0.000 0.000 0.195 66 R C -0.776 175.085 176.300 -0.731 0.000 0.921 66 R CA 0.266 56.124 56.100 -0.403 0.000 1.069 66 R CB 0.429 30.498 30.300 -0.384 0.000 1.115 66 R HN 0.362 nan 8.270 nan 0.000 0.571 67 F N -0.099 119.749 119.950 -0.171 0.000 2.576 67 F HA 0.391 4.917 4.527 -0.000 0.000 0.313 67 F C -0.413 175.189 175.800 -0.331 0.000 1.078 67 F CA -1.234 56.605 58.000 -0.268 0.000 0.921 67 F CB 1.982 40.866 39.000 -0.194 0.000 1.232 67 F HN -0.238 nan 8.300 nan 0.000 0.459 68 D N 0.578 120.737 120.400 -0.401 0.000 2.552 68 D HA 0.235 4.874 4.640 -0.000 0.000 0.239 68 D C -1.255 174.899 176.300 -0.243 0.000 1.139 68 D CA -0.852 52.926 54.000 -0.371 0.000 0.914 68 D CB 1.925 42.457 40.800 -0.447 0.000 1.461 68 D HN 0.470 nan 8.370 nan 0.000 0.462 69 K N 1.642 122.016 120.400 -0.044 0.000 2.472 69 K HA 0.076 4.396 4.320 -0.000 0.000 0.280 69 K C -0.566 176.186 176.600 0.254 0.000 1.028 69 K CA -0.051 56.261 56.287 0.040 0.000 1.045 69 K CB 0.195 32.644 32.500 -0.085 0.000 0.902 69 K HN 0.378 nan 8.250 nan 0.000 0.478 70 N N 4.021 122.850 118.700 0.216 0.000 2.405 70 N HA 0.224 4.964 4.740 -0.000 0.000 0.299 70 N C -1.231 174.153 175.510 -0.211 0.000 1.075 70 N CA -0.641 52.563 53.050 0.258 0.000 0.884 70 N CB 0.883 39.557 38.487 0.311 0.000 1.194 70 N HN 0.494 nan 8.380 nan 0.000 0.491 71 L N 2.795 123.653 121.223 -0.608 0.000 2.312 71 L HA 0.278 4.618 4.340 -0.000 0.000 0.287 71 L C 0.695 177.342 176.870 -0.371 0.000 1.091 71 L CA -0.660 53.780 54.840 -0.667 0.000 0.846 71 L CB 0.155 41.576 42.059 -1.064 0.000 1.219 71 L HN 0.674 nan 8.230 nan 0.000 0.439 72 S N 1.367 116.901 115.700 -0.278 0.000 2.580 72 S HA -0.070 4.400 4.470 -0.000 0.000 0.261 72 S C 0.900 175.349 174.600 -0.251 0.000 1.366 72 S CA -0.353 57.725 58.200 -0.203 0.000 0.996 72 S CB 1.010 64.116 63.200 -0.157 0.000 0.902 72 S HN 0.632 nan 8.310 nan 0.000 0.566 73 Q N 1.114 120.771 119.800 -0.239 0.000 2.135 73 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 73 Q C 2.214 177.919 176.000 -0.492 0.000 0.981 73 Q CA 2.236 57.801 55.803 -0.396 0.000 0.856 73 Q CB -1.128 27.412 28.738 -0.330 0.000 0.902 73 Q HN 0.906 nan 8.270 nan 0.000 0.425 74 A N -0.453 122.235 122.820 -0.219 0.000 1.902 74 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 74 A C 1.904 179.444 177.584 -0.074 0.000 1.181 74 A CA 1.368 53.379 52.037 -0.043 0.000 0.623 74 A CB -0.601 18.418 19.000 0.032 0.000 0.818 74 A HN 0.411 nan 8.150 nan 0.000 0.443 75 L N -0.216 120.890 121.223 -0.195 0.000 2.093 75 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 75 L C 2.342 179.052 176.870 -0.267 0.000 1.085 75 L CA 1.858 56.537 54.840 -0.268 0.000 0.755 75 L CB -0.535 41.268 42.059 -0.425 0.000 0.904 75 L HN 0.329 nan 8.230 nan 0.000 0.435 76 K N -1.445 118.769 120.400 -0.310 0.000 2.063 76 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 76 K C 2.060 178.588 176.600 -0.120 0.000 1.048 76 K CA 1.331 57.453 56.287 -0.274 0.000 0.928 76 K CB -0.273 32.019 32.500 -0.346 0.000 0.713 76 K HN 0.092 nan 8.250 nan 0.000 0.442 77 F N 0.601 120.488 119.950 -0.105 0.000 2.146 77 F HA -0.140 4.386 4.527 -0.000 0.000 0.298 77 F C 2.240 177.977 175.800 -0.105 0.000 1.096 77 F CA 0.598 58.555 58.000 -0.072 0.000 1.275 77 F CB -0.889 38.082 39.000 -0.048 0.000 1.008 77 F HN -0.239 nan 8.300 nan 0.000 0.480 78 V N -0.006 119.908 119.914 0.000 0.000 2.626 78 V HA -0.229 3.891 4.120 -0.000 0.000 0.252 78 V C 2.449 178.184 176.094 -0.598 0.000 1.067 78 V CA 1.527 63.594 62.300 -0.389 0.000 1.081 78 V CB -0.778 30.936 31.823 -0.182 0.000 0.686 78 V HN 0.226 nan 8.190 nan 0.000 0.468 79 R N 0.281 120.603 120.500 -0.297 0.000 2.193 79 R HA -0.169 4.171 4.340 -0.000 0.000 0.229 79 R C 1.824 177.995 176.300 -0.215 0.000 1.110 79 R CA 1.392 57.327 56.100 -0.275 0.000 0.988 79 R CB -0.263 29.910 30.300 -0.212 0.000 0.871 79 R HN 0.490 nan 8.270 nan 0.000 0.458 80 D N -0.058 120.297 120.400 -0.076 0.000 2.182 80 D HA -0.188 4.452 4.640 -0.000 0.000 0.201 80 D C 1.300 177.682 176.300 0.137 0.000 0.986 80 D CA 1.510 55.591 54.000 0.136 0.000 0.847 80 D CB -0.022 41.062 40.800 0.473 0.000 0.942 80 D HN 0.503 nan 8.370 nan 0.000 0.467 81 F N -1.992 118.012 119.950 0.089 0.000 2.752 81 F HA 0.571 5.098 4.527 -0.000 0.000 0.310 81 F C 1.709 177.564 175.800 0.091 0.000 1.097 81 F CA -0.267 57.761 58.000 0.048 0.000 1.238 81 F CB -0.074 38.897 39.000 -0.049 0.000 1.061 81 F HN -0.124 nan 8.300 nan 0.000 0.591 82 A N 0.859 123.525 122.820 -0.257 0.000 2.267 82 A HA 0.585 4.905 4.320 -0.000 0.000 0.213 82 A C 1.887 179.197 177.584 -0.457 0.000 1.192 82 A CA 0.499 52.455 52.037 -0.135 0.000 0.851 82 A CB -1.210 17.699 19.000 -0.152 0.000 0.881 82 A HN 0.709 nan 8.150 nan 0.000 0.494 83 G N 1.454 109.820 108.800 -0.723 0.000 2.627 83 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.312 83 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.312 83 G C 0.206 174.743 174.900 -0.604 0.000 1.299 83 G CA 0.647 45.109 45.100 -1.062 0.000 0.989 83 G HN 0.935 nan 8.290 nan 0.000 0.547 84 D N 1.546 121.637 120.400 -0.514 0.000 2.881 84 D HA 0.459 5.099 4.640 -0.000 0.000 0.240 84 D C 1.020 177.292 176.300 -0.048 0.000 1.249 84 D CA 0.653 54.553 54.000 -0.166 0.000 0.839 84 D CB -0.456 40.318 40.800 -0.044 0.000 1.042 84 D HN 0.779 nan 8.370 nan 0.000 0.475 85 G N -0.175 108.584 108.800 -0.069 0.000 2.651 85 G HA2 0.235 4.195 3.960 -0.000 0.000 0.260 85 G HA3 0.235 4.195 3.960 -0.000 0.000 0.260 85 G C 1.090 176.049 174.900 0.099 0.000 1.216 85 G CA -0.764 44.351 45.100 0.026 0.000 0.913 85 G HN 0.276 nan 8.290 nan 0.000 0.535 86 L N -0.614 120.689 121.223 0.133 0.000 2.089 86 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 86 L C 2.486 179.582 176.870 0.377 0.000 1.079 86 L CA 1.306 56.304 54.840 0.264 0.000 0.758 86 L CB -0.322 41.868 42.059 0.218 0.000 0.891 86 L HN 0.553 nan 8.230 nan 0.000 0.433 87 F N 0.568 120.573 119.950 0.092 0.000 2.259 87 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 87 F C 2.261 178.027 175.800 -0.056 0.000 1.088 87 F CA 1.549 59.569 58.000 0.034 0.000 1.358 87 F CB -0.128 38.884 39.000 0.020 0.000 1.040 87 F HN 0.053 nan 8.300 nan 0.000 0.505 88 T N -2.316 112.202 114.554 -0.060 0.000 3.215 88 T HA 0.347 4.697 4.350 -0.000 0.000 0.271 88 T C 0.329 174.855 174.700 -0.290 0.000 1.012 88 T CA -0.251 61.684 62.100 -0.275 0.000 0.899 88 T CB -0.354 68.368 68.868 -0.242 0.000 1.089 88 T HN -0.022 nan 8.240 nan 0.000 0.552 89 S N 0.650 116.249 115.700 -0.169 0.000 2.638 89 S HA 0.629 5.099 4.470 -0.000 0.000 0.298 89 S C -0.808 173.631 174.600 -0.268 0.000 1.111 89 S CA -0.994 57.136 58.200 -0.117 0.000 1.027 89 S CB 0.832 64.139 63.200 0.179 0.000 1.064 89 S HN 0.522 nan 8.310 nan 0.000 0.525 90 W N 0.844 122.014 121.300 -0.217 0.000 2.303 90 W HA 0.269 4.929 4.660 -0.000 0.000 0.334 90 W C 1.595 177.874 176.519 -0.400 0.000 1.197 90 W CA -0.458 56.665 57.345 -0.369 0.000 1.262 90 W CB 0.097 29.144 29.460 -0.689 0.000 1.153 90 W HN 0.637 nan 8.180 nan 0.000 0.596 91 T N 0.115 114.566 114.554 -0.171 0.000 2.849 91 T HA -0.271 4.079 4.350 -0.000 0.000 0.270 91 T C 1.126 175.849 174.700 0.038 0.000 1.066 91 T CA 2.059 63.910 62.100 -0.414 0.000 1.130 91 T CB -0.467 68.197 68.868 -0.340 0.000 0.864 91 T HN 0.564 nan 8.240 nan 0.000 0.481 92 H N 0.106 119.229 119.070 0.088 0.000 2.548 92 H HA 0.417 4.973 4.556 -0.000 0.000 0.265 92 H C 0.701 176.116 175.328 0.145 0.000 0.969 92 H CA -0.248 55.860 56.048 0.101 0.000 1.155 92 H CB -0.111 29.669 29.762 0.029 0.000 1.394 92 H HN 0.290 nan 8.280 nan 0.000 0.570 93 E N 2.126 122.382 120.200 0.094 0.000 2.344 93 E HA -0.018 4.332 4.350 -0.000 0.000 0.270 93 E C 0.838 177.563 176.600 0.207 0.000 1.021 93 E CA -0.317 56.163 56.400 0.135 0.000 0.887 93 E CB 1.090 30.878 29.700 0.146 0.000 0.997 93 E HN 0.362 nan 8.360 nan 0.000 0.429 94 K N 3.587 124.080 120.400 0.155 0.000 2.089 94 K HA -0.273 4.047 4.320 -0.000 0.000 0.210 94 K C 1.022 177.706 176.600 0.140 0.000 1.048 94 K CA 1.853 58.226 56.287 0.144 0.000 0.926 94 K CB -0.010 32.551 32.500 0.101 0.000 0.714 94 K HN 0.488 nan 8.250 nan 0.000 0.448 95 N N -0.715 118.064 118.700 0.130 0.000 2.453 95 N HA -0.162 4.578 4.740 -0.000 0.000 0.183 95 N C 1.277 176.845 175.510 0.096 0.000 1.041 95 N CA 0.744 53.854 53.050 0.099 0.000 0.900 95 N CB -0.090 38.451 38.487 0.091 0.000 0.961 95 N HN 0.349 nan 8.380 nan 0.000 0.443 96 W N 2.208 123.547 121.300 0.066 0.000 2.378 96 W HA -0.096 4.564 4.660 -0.000 0.000 0.313 96 W C 1.685 178.273 176.519 0.115 0.000 1.197 96 W CA 1.277 58.668 57.345 0.077 0.000 1.304 96 W CB 0.010 29.501 29.460 0.051 0.000 1.148 96 W HN -0.183 nan 8.180 nan 0.000 0.494 97 K N 0.605 121.062 120.400 0.096 0.000 2.097 97 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 97 K C 1.894 178.437 176.600 -0.095 0.000 1.049 97 K CA 1.834 58.084 56.287 -0.061 0.000 0.933 97 K CB -0.484 32.125 32.500 0.181 0.000 0.717 97 K HN 0.085 nan 8.250 nan 0.000 0.442 98 K N 0.327 120.709 120.400 -0.030 0.000 2.002 98 K HA -0.082 4.238 4.320 -0.000 0.000 0.209 98 K C 2.273 178.839 176.600 -0.056 0.000 1.048 98 K CA 1.495 57.772 56.287 -0.017 0.000 0.930 98 K CB -0.282 32.227 32.500 0.015 0.000 0.714 98 K HN 0.187 nan 8.250 nan 0.000 0.438 99 A N 1.219 123.982 122.820 -0.094 0.000 1.930 99 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 99 A C 2.096 179.593 177.584 -0.145 0.000 1.175 99 A CA 1.435 53.420 52.037 -0.086 0.000 0.627 99 A CB -0.792 18.166 19.000 -0.071 0.000 0.815 99 A HN 0.408 nan 8.150 nan 0.000 0.443 100 H N 0.636 119.438 119.070 -0.448 0.000 2.290 100 H HA -0.136 4.420 4.556 -0.000 0.000 0.298 100 H C 1.672 176.860 175.328 -0.234 0.000 1.087 100 H CA 2.028 57.775 56.048 -0.503 0.000 1.291 100 H CB -0.183 28.869 29.762 -1.182 0.000 1.369 100 H HN 0.388 nan 8.280 nan 0.000 0.492 101 N N 0.695 119.326 118.700 -0.114 0.000 2.166 101 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 101 N C 2.343 177.804 175.510 -0.082 0.000 1.019 101 N CA 1.160 54.175 53.050 -0.059 0.000 0.856 101 N CB -0.257 38.243 38.487 0.022 0.000 0.993 101 N HN 0.468 nan 8.380 nan 0.000 0.426 102 I N -0.056 120.477 120.570 -0.062 0.000 2.233 102 I HA -0.164 4.006 4.170 -0.000 0.000 0.243 102 I C 1.566 177.666 176.117 -0.028 0.000 1.093 102 I CA 0.586 61.868 61.300 -0.029 0.000 1.380 102 I CB -0.023 37.978 38.000 0.002 0.000 1.067 102 I HN 0.018 nan 8.210 nan 0.000 0.413 103 L N 0.157 121.376 121.223 -0.008 0.000 2.217 103 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 103 L C 2.189 179.103 176.870 0.075 0.000 1.107 103 L CA 1.281 56.173 54.840 0.087 0.000 0.783 103 L CB -1.029 41.183 42.059 0.254 0.000 0.919 103 L HN 0.222 nan 8.230 nan 0.000 0.442 104 L N 1.455 122.630 121.223 -0.080 0.000 1.976 104 L HA -0.216 4.124 4.340 -0.000 0.000 0.223 104 L C -0.203 176.660 176.870 -0.011 0.000 1.081 104 L CA 2.672 57.454 54.840 -0.096 0.000 0.784 104 L CB -2.021 39.897 42.059 -0.235 0.000 0.896 104 L HN 0.256 nan 8.230 nan 0.000 0.438 105 P HA -0.075 nan 4.420 nan 0.000 0.222 105 P C 1.460 178.693 177.300 -0.113 0.000 1.147 105 P CA 1.056 64.114 63.100 -0.069 0.000 0.790 105 P CB 0.040 31.687 31.700 -0.088 0.000 0.780 106 S N -1.428 114.181 115.700 -0.151 0.000 2.562 106 S HA 0.098 4.568 4.470 -0.000 0.000 0.221 106 S C 0.926 175.412 174.600 -0.189 0.000 0.975 106 S CA 0.419 58.456 58.200 -0.272 0.000 0.918 106 S CB -0.565 62.405 63.200 -0.384 0.000 0.772 106 S HN 0.114 nan 8.310 nan 0.000 0.531 107 F N 1.823 121.781 119.950 0.014 0.000 2.661 107 F HA 0.281 4.808 4.527 -0.000 0.000 0.306 107 F C 1.295 177.121 175.800 0.043 0.000 1.094 107 F CA -0.700 57.337 58.000 0.060 0.000 1.254 107 F CB 0.020 39.009 39.000 -0.018 0.000 1.040 107 F HN 0.027 nan 8.300 nan 0.000 0.562 108 S N -0.626 115.158 115.700 0.140 0.000 2.596 108 S HA 0.011 4.481 4.470 -0.000 0.000 0.260 108 S C 1.377 176.023 174.600 0.077 0.000 1.336 108 S CA -0.368 57.881 58.200 0.082 0.000 0.993 108 S CB 0.870 64.082 63.200 0.020 0.000 0.923 108 S HN 0.270 nan 8.310 nan 0.000 0.567 109 Q N 0.399 120.240 119.800 0.069 0.000 2.084 109 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 109 Q C 2.107 178.127 176.000 0.033 0.000 0.978 109 Q CA 1.854 57.708 55.803 0.086 0.000 0.844 109 Q CB -0.529 28.273 28.738 0.105 0.000 0.898 109 Q HN 0.741 nan 8.270 nan 0.000 0.426 110 Q N -0.225 119.564 119.800 -0.020 0.000 2.096 110 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 110 Q C 1.978 177.838 176.000 -0.234 0.000 0.982 110 Q CA 1.681 57.414 55.803 -0.116 0.000 0.850 110 Q CB -0.697 27.987 28.738 -0.090 0.000 0.901 110 Q HN 0.540 nan 8.270 nan 0.000 0.422 111 A N 0.418 123.120 122.820 -0.196 0.000 2.125 111 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 111 A C 1.945 179.260 177.584 -0.448 0.000 1.156 111 A CA 0.960 52.805 52.037 -0.321 0.000 0.671 111 A CB -0.324 18.534 19.000 -0.237 0.000 0.794 111 A HN 0.210 nan 8.150 nan 0.000 0.459 112 M N 0.029 119.472 119.600 -0.263 0.000 2.279 112 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 112 M C 1.656 177.725 176.300 -0.384 0.000 1.062 112 M CA 1.319 56.478 55.300 -0.235 0.000 1.099 112 M CB -1.048 31.415 32.600 -0.229 0.000 1.394 112 M HN 0.457 nan 8.290 nan 0.000 0.426 113 K N -0.364 119.639 120.400 -0.662 0.000 2.147 113 K HA -0.068 4.251 4.320 -0.000 0.000 0.205 113 K C 2.042 178.447 176.600 -0.325 0.000 1.049 113 K CA 1.321 57.200 56.287 -0.678 0.000 0.936 113 K CB -0.478 31.547 32.500 -0.792 0.000 0.722 113 K HN 0.458 nan 8.250 nan 0.000 0.446 114 G N -0.052 108.504 108.800 -0.406 0.000 2.511 114 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 114 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 114 G C 0.845 175.621 174.900 -0.207 0.000 1.133 114 G CA 0.297 45.191 45.100 -0.343 0.000 0.792 114 G HN 0.205 nan 8.290 nan 0.000 0.539 115 Y N -0.839 119.446 120.300 -0.026 0.000 2.497 115 Y HA 0.197 4.747 4.550 -0.000 0.000 0.265 115 Y C 2.237 178.149 175.900 0.020 0.000 1.111 115 Y CA -0.674 57.424 58.100 -0.003 0.000 1.288 115 Y CB -0.737 37.710 38.460 -0.022 0.000 1.082 115 Y HN 0.308 nan 8.280 nan 0.000 0.536 116 H N 0.513 119.639 119.070 0.092 0.000 2.289 116 H HA -0.243 4.312 4.556 -0.000 0.000 0.294 116 H C 2.144 177.546 175.328 0.123 0.000 1.095 116 H CA 1.770 57.913 56.048 0.159 0.000 1.256 116 H CB 0.044 29.938 29.762 0.219 0.000 1.359 116 H HN 0.338 nan 8.280 nan 0.000 0.487 117 A N 0.829 123.700 122.820 0.085 0.000 1.940 117 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 117 A C 2.693 180.267 177.584 -0.017 0.000 1.176 117 A CA 1.797 53.843 52.037 0.016 0.000 0.631 117 A CB -0.678 18.355 19.000 0.055 0.000 0.814 117 A HN 0.479 nan 8.150 nan 0.000 0.446 118 M N -1.510 118.106 119.600 0.027 0.000 2.254 118 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 118 M C 2.283 178.586 176.300 0.004 0.000 1.066 118 M CA 1.222 56.539 55.300 0.028 0.000 1.123 118 M CB -0.283 32.361 32.600 0.074 0.000 1.388 118 M HN 0.415 nan 8.290 nan 0.000 0.425 119 M N -0.764 118.819 119.600 -0.028 0.000 2.200 119 M HA -0.137 4.343 4.480 -0.000 0.000 0.265 119 M C 2.084 178.324 176.300 -0.101 0.000 1.066 119 M CA 1.058 56.324 55.300 -0.056 0.000 1.127 119 M CB -0.209 32.353 32.600 -0.065 0.000 1.379 119 M HN 0.093 nan 8.290 nan 0.000 0.420 120 V N 0.525 120.326 119.914 -0.188 0.000 2.343 120 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 120 V C 2.131 178.176 176.094 -0.082 0.000 1.051 120 V CA 1.953 64.152 62.300 -0.167 0.000 1.036 120 V CB -0.758 30.943 31.823 -0.204 0.000 0.654 120 V HN 0.530 nan 8.190 nan 0.000 0.451 121 D N 0.454 120.822 120.400 -0.053 0.000 2.127 121 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 121 D C 2.033 178.327 176.300 -0.011 0.000 1.000 121 D CA 1.852 55.838 54.000 -0.024 0.000 0.839 121 D CB 0.012 40.808 40.800 -0.006 0.000 0.955 121 D HN 0.315 nan 8.370 nan 0.000 0.446 122 I N 1.247 121.828 120.570 0.018 0.000 2.394 122 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 122 I C 2.681 178.801 176.117 0.005 0.000 1.136 122 I CA 0.659 62.001 61.300 0.071 0.000 1.425 122 I CB -1.637 36.440 38.000 0.129 0.000 1.079 122 I HN -0.020 nan 8.210 nan 0.000 0.425 123 A N 0.884 123.680 122.820 -0.040 0.000 1.877 123 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 123 A C 2.550 180.040 177.584 -0.156 0.000 1.186 123 A CA 1.629 53.613 52.037 -0.089 0.000 0.620 123 A CB -0.946 18.011 19.000 -0.072 0.000 0.822 123 A HN 0.228 nan 8.150 nan 0.000 0.443 124 V N -0.047 119.787 119.914 -0.133 0.000 2.490 124 V HA -0.295 3.825 4.120 -0.000 0.000 0.250 124 V C 2.604 178.560 176.094 -0.231 0.000 1.061 124 V CA 2.184 64.388 62.300 -0.160 0.000 1.064 124 V CB -0.801 30.957 31.823 -0.108 0.000 0.670 124 V HN 0.634 nan 8.190 nan 0.000 0.461 125 Q N -0.896 118.759 119.800 -0.242 0.000 2.124 125 Q HA -0.156 4.183 4.340 -0.000 0.000 0.202 125 Q C 2.317 177.868 176.000 -0.749 0.000 0.977 125 Q CA 1.277 56.856 55.803 -0.374 0.000 0.850 125 Q CB -0.168 28.440 28.738 -0.217 0.000 0.901 125 Q HN 0.491 nan 8.270 nan 0.000 0.429 126 L N 0.383 121.125 121.223 -0.801 0.000 2.027 126 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 126 L C 2.129 178.486 176.870 -0.855 0.000 1.074 126 L CA 1.380 55.588 54.840 -1.053 0.000 0.745 126 L CB -0.558 41.069 42.059 -0.720 0.000 0.898 126 L HN 0.113 nan 8.230 nan 0.000 0.433 127 V N 0.421 120.043 119.914 -0.486 0.000 2.295 127 V HA -0.310 3.809 4.120 -0.000 0.000 0.246 127 V C 2.657 178.706 176.094 -0.074 0.000 1.049 127 V CA 1.820 64.014 62.300 -0.177 0.000 1.024 127 V CB -0.622 31.094 31.823 -0.178 0.000 0.648 127 V HN 0.526 nan 8.190 nan 0.000 0.447 128 Q N -0.214 119.467 119.800 -0.198 0.000 2.170 128 Q HA -0.256 4.084 4.340 -0.000 0.000 0.203 128 Q C 2.357 178.288 176.000 -0.116 0.000 0.976 128 Q CA 1.678 57.399 55.803 -0.137 0.000 0.858 128 Q CB -0.237 28.401 28.738 -0.166 0.000 0.907 128 Q HN 0.623 nan 8.270 nan 0.000 0.433 129 K N 0.142 120.395 120.400 -0.244 0.000 2.026 129 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 129 K C 1.609 178.256 176.600 0.079 0.000 1.048 129 K CA 1.384 57.576 56.287 -0.159 0.000 0.929 129 K CB -0.023 32.293 32.500 -0.307 0.000 0.713 129 K HN 0.196 nan 8.250 nan 0.000 0.439 130 W N 1.965 123.161 121.300 -0.172 0.000 2.388 130 W HA -0.046 4.613 4.660 -0.000 0.000 0.294 130 W C 1.999 178.484 176.519 -0.056 0.000 1.212 130 W CA 0.383 57.589 57.345 -0.233 0.000 1.271 130 W CB -0.624 28.498 29.460 -0.564 0.000 1.126 130 W HN 0.211 nan 8.180 nan 0.000 0.535 131 E N 0.177 120.591 120.200 0.356 0.000 2.110 131 E HA -0.151 4.198 4.350 -0.000 0.000 0.193 131 E C 1.751 178.422 176.600 0.118 0.000 0.988 131 E CA 1.069 57.639 56.400 0.283 0.000 0.804 131 E CB -0.329 29.451 29.700 0.133 0.000 0.745 131 E HN 0.370 nan 8.360 nan 0.000 0.458 132 R N 0.378 120.916 120.500 0.063 0.000 2.335 132 R HA 0.088 4.428 4.340 -0.000 0.000 0.223 132 R C 0.096 176.396 176.300 0.000 0.000 0.940 132 R CA -0.194 55.915 56.100 0.015 0.000 1.086 132 R CB 0.065 30.357 30.300 -0.013 0.000 1.073 132 R HN -0.038 nan 8.270 nan 0.000 0.504 133 L N 1.718 122.941 121.223 -0.001 0.000 2.371 133 L HA 0.111 4.450 4.340 -0.000 0.000 0.272 133 L C 0.239 177.081 176.870 -0.047 0.000 1.124 133 L CA -0.235 54.578 54.840 -0.044 0.000 0.816 133 L CB 0.633 42.635 42.059 -0.095 0.000 1.129 133 L HN 0.022 nan 8.230 nan 0.000 0.448 134 N N 2.263 120.931 118.700 -0.054 0.000 2.497 134 N HA 0.188 4.928 4.740 -0.000 0.000 0.271 134 N C -0.253 175.219 175.510 -0.063 0.000 1.142 134 N CA -0.240 52.782 53.050 -0.047 0.000 0.965 134 N CB 1.130 39.592 38.487 -0.042 0.000 1.077 134 N HN 0.671 nan 8.380 nan 0.000 0.462 135 A N 2.562 125.350 122.820 -0.054 0.000 2.500 135 A HA 0.086 4.406 4.320 -0.000 0.000 0.285 135 A C 0.902 178.448 177.584 -0.064 0.000 1.183 135 A CA 0.260 52.258 52.037 -0.064 0.000 0.851 135 A CB -0.454 18.518 19.000 -0.048 0.000 1.091 135 A HN 0.900 nan 8.150 nan 0.000 0.521 136 D N 0.511 120.860 120.400 -0.085 0.000 4.425 136 D HA -0.104 4.536 4.640 -0.000 0.000 0.116 136 D C -0.343 175.913 176.300 -0.073 0.000 0.397 136 D CA -0.014 53.944 54.000 -0.071 0.000 0.581 136 D CB -1.148 39.627 40.800 -0.042 0.000 1.639 136 D HN 0.600 nan 8.370 nan 0.000 0.031 137 E N 1.186 121.324 120.200 -0.103 0.000 2.283 137 E HA 0.344 4.694 4.350 -0.000 0.000 0.271 137 E C 0.199 176.690 176.600 -0.182 0.000 1.031 137 E CA -0.582 55.736 56.400 -0.136 0.000 0.868 137 E CB 1.247 30.850 29.700 -0.161 0.000 1.094 137 E HN 0.390 nan 8.360 nan 0.000 0.401 138 H N 0.655 119.600 119.070 -0.209 0.000 2.810 138 H HA 0.564 5.120 4.556 -0.000 0.000 0.316 138 H C -0.555 174.606 175.328 -0.278 0.000 1.426 138 H CA -0.966 54.914 56.048 -0.280 0.000 1.413 138 H CB 0.865 30.512 29.762 -0.191 0.000 1.874 138 H HN 0.308 nan 8.280 nan 0.000 0.737 139 I N 0.735 121.178 120.570 -0.211 0.000 2.441 139 I HA 0.141 4.311 4.170 -0.000 0.000 0.295 139 I C -0.271 175.756 176.117 -0.149 0.000 0.994 139 I CA -0.591 60.495 61.300 -0.356 0.000 1.144 139 I CB 2.053 39.585 38.000 -0.779 0.000 1.314 139 I HN 0.495 nan 8.210 nan 0.000 0.445 140 E N 5.225 125.365 120.200 -0.099 0.000 2.042 140 E HA 0.160 4.510 4.350 -0.000 0.000 0.260 140 E C 0.766 177.329 176.600 -0.061 0.000 0.975 140 E CA -0.299 56.069 56.400 -0.055 0.000 0.799 140 E CB 1.468 31.168 29.700 0.000 0.000 1.131 140 E HN 0.451 nan 8.360 nan 0.000 0.423 141 V N 4.379 124.176 119.914 -0.195 0.000 2.231 141 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 141 V C -0.856 175.249 176.094 0.019 0.000 1.054 141 V CA 1.964 64.195 62.300 -0.114 0.000 1.015 141 V CB -1.254 30.361 31.823 -0.347 0.000 0.638 141 V HN 0.527 nan 8.190 nan 0.000 0.444 142 P HA -0.128 nan 4.420 nan 0.000 0.215 142 P C 1.533 178.851 177.300 0.029 0.000 1.153 142 P CA 1.357 64.453 63.100 -0.007 0.000 0.853 142 P CB -0.018 31.652 31.700 -0.051 0.000 0.788 143 E N -0.551 119.666 120.200 0.029 0.000 2.058 143 E HA -0.184 4.165 4.350 -0.000 0.000 0.194 143 E C 1.810 178.456 176.600 0.076 0.000 0.997 143 E CA 1.369 57.793 56.400 0.041 0.000 0.801 143 E CB -0.915 28.805 29.700 0.033 0.000 0.746 143 E HN 0.249 nan 8.360 nan 0.000 0.450 144 D N -0.727 119.767 120.400 0.157 0.000 2.123 144 D HA -0.072 4.568 4.640 -0.000 0.000 0.200 144 D C 1.746 178.175 176.300 0.216 0.000 0.976 144 D CA 0.756 54.916 54.000 0.267 0.000 0.831 144 D CB -0.031 41.056 40.800 0.479 0.000 0.974 144 D HN 0.103 nan 8.370 nan 0.000 0.469 145 M N 0.393 120.100 119.600 0.179 0.000 2.213 145 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 145 M C 2.068 178.436 176.300 0.114 0.000 1.062 145 M CA 1.060 56.446 55.300 0.143 0.000 1.105 145 M CB -1.264 31.411 32.600 0.124 0.000 1.385 145 M HN -0.065 nan 8.290 nan 0.000 0.417 146 T N 0.160 114.767 114.554 0.088 0.000 2.777 146 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 146 T C 2.012 176.738 174.700 0.043 0.000 1.040 146 T CA 1.023 63.180 62.100 0.095 0.000 1.141 146 T CB -0.086 68.833 68.868 0.085 0.000 0.868 146 T HN 0.377 nan 8.240 nan 0.000 0.444 147 R N 0.599 121.059 120.500 -0.066 0.000 2.096 147 R HA 0.035 4.374 4.340 -0.000 0.000 0.235 147 R C 2.443 178.614 176.300 -0.214 0.000 1.127 147 R CA 0.773 56.702 56.100 -0.285 0.000 0.968 147 R CB -0.534 29.349 30.300 -0.695 0.000 0.861 147 R HN 0.269 nan 8.270 nan 0.000 0.440 148 L N 1.462 122.690 121.223 0.007 0.000 2.017 148 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 148 L C 2.192 179.152 176.870 0.151 0.000 1.073 148 L CA 2.616 57.563 54.840 0.178 0.000 0.745 148 L CB -1.172 41.015 42.059 0.212 0.000 0.894 148 L HN 0.318 nan 8.230 nan 0.000 0.432 149 T N -2.184 112.461 114.554 0.153 0.000 2.777 149 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 149 T C 2.191 177.018 174.700 0.211 0.000 1.040 149 T CA 1.197 63.419 62.100 0.203 0.000 1.141 149 T CB -0.692 68.306 68.868 0.217 0.000 0.868 149 T HN 0.344 nan 8.240 nan 0.000 0.444 150 L N 1.075 122.385 121.223 0.145 0.000 2.017 150 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 150 L C 2.628 179.621 176.870 0.206 0.000 1.073 150 L CA 1.832 56.715 54.840 0.072 0.000 0.745 150 L CB -0.598 41.379 42.059 -0.137 0.000 0.894 150 L HN 0.206 nan 8.230 nan 0.000 0.432 151 D N -1.111 119.399 120.400 0.183 0.000 2.144 151 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 151 D C 2.167 178.590 176.300 0.205 0.000 0.978 151 D CA 1.363 55.507 54.000 0.240 0.000 0.833 151 D CB -0.125 40.764 40.800 0.149 0.000 0.961 151 D HN 0.224 nan 8.370 nan 0.000 0.470 152 T N 0.381 115.059 114.554 0.206 0.000 2.777 152 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 152 T C 2.121 176.989 174.700 0.280 0.000 1.040 152 T CA 0.536 62.765 62.100 0.216 0.000 1.141 152 T CB -0.133 68.868 68.868 0.222 0.000 0.868 152 T HN 0.156 nan 8.240 nan 0.000 0.444 153 I N 1.200 121.953 120.570 0.305 0.000 2.315 153 I HA -0.060 4.109 4.170 -0.000 0.000 0.248 153 I C 2.863 179.154 176.117 0.290 0.000 1.117 153 I CA 1.056 62.512 61.300 0.260 0.000 1.404 153 I CB -0.689 37.440 38.000 0.215 0.000 1.071 153 I HN 0.308 nan 8.210 nan 0.000 0.419 154 G N 1.093 110.102 108.800 0.348 0.000 2.418 154 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 154 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 154 G C 1.618 176.436 174.900 -0.137 0.000 1.158 154 G CA 0.457 45.686 45.100 0.216 0.000 0.771 154 G HN 0.185 nan 8.290 nan 0.000 0.545 155 L N 0.360 121.550 121.223 -0.054 0.000 2.027 155 L HA 0.054 4.394 4.340 -0.000 0.000 0.206 155 L C 2.850 179.715 176.870 -0.007 0.000 1.074 155 L CA 1.350 56.139 54.840 -0.085 0.000 0.745 155 L CB -0.640 41.401 42.059 -0.029 0.000 0.898 155 L HN 0.272 nan 8.230 nan 0.000 0.433 156 C N -0.852 118.489 119.300 0.069 0.000 2.450 156 C HA 0.062 4.522 4.460 -0.000 0.000 0.279 156 C C 2.633 177.626 174.990 0.005 0.000 1.335 156 C CA 0.338 59.378 59.018 0.037 0.000 1.749 156 C CB -1.611 26.181 27.740 0.088 0.000 1.963 156 C HN 0.718 nan 8.230 nan 0.000 0.501 157 G N 0.998 109.866 108.800 0.115 0.000 2.547 157 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.214 157 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.214 157 G C 0.774 175.877 174.900 0.338 0.000 1.254 157 G CA 1.159 46.416 45.100 0.261 0.000 0.817 157 G HN 0.545 nan 8.290 nan 0.000 0.551 158 F N -0.667 119.287 119.950 0.006 0.000 2.791 158 F HA 0.487 5.014 4.527 -0.000 0.000 0.308 158 F C 0.278 176.056 175.800 -0.037 0.000 1.138 158 F CA -2.138 55.844 58.000 -0.030 0.000 1.294 158 F CB -1.232 37.724 39.000 -0.074 0.000 0.975 158 F HN 0.244 nan 8.300 nan 0.000 0.512 159 N N 0.786 119.394 118.700 -0.153 0.000 2.721 159 N HA -0.317 4.422 4.740 -0.000 0.000 0.249 159 N C -0.996 174.310 175.510 -0.341 0.000 1.072 159 N CA 0.817 53.750 53.050 -0.194 0.000 0.710 159 N CB -1.238 37.194 38.487 -0.091 0.000 0.993 159 N HN 0.704 nan 8.380 nan 0.000 0.547 160 Y N 0.270 120.049 120.300 -0.867 0.000 2.393 160 Y HA 0.522 5.072 4.550 -0.000 0.000 0.341 160 Y C -0.156 175.213 175.900 -0.885 0.000 0.988 160 Y CA -1.035 56.468 58.100 -0.996 0.000 1.078 160 Y CB 0.974 38.417 38.460 -1.695 0.000 1.203 160 Y HN -0.016 nan 8.280 nan 0.000 0.453 161 R N 6.174 125.995 120.500 -1.133 0.000 2.215 161 R HA 0.197 4.537 4.340 -0.000 0.000 0.337 161 R C -0.300 175.545 176.300 -0.758 0.000 1.010 161 R CA -0.289 55.367 56.100 -0.739 0.000 0.871 161 R CB 0.349 30.380 30.300 -0.447 0.000 1.134 161 R HN 0.738 nan 8.270 nan 0.000 0.477 162 F N 1.038 120.812 119.950 -0.294 0.000 2.661 162 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 162 F C 0.729 176.527 175.800 -0.003 0.000 1.137 162 F CA -0.071 57.870 58.000 -0.097 0.000 1.454 162 F CB -0.071 38.907 39.000 -0.036 0.000 1.103 162 F HN 0.493 nan 8.300 nan 0.000 0.577 163 N N 0.468 119.241 118.700 0.121 0.000 2.699 163 N HA -0.205 4.534 4.740 -0.000 0.000 0.256 163 N C 1.047 176.686 175.510 0.215 0.000 0.993 163 N CA 0.830 53.991 53.050 0.184 0.000 0.759 163 N CB -1.178 37.344 38.487 0.059 0.000 0.906 163 N HN 0.165 nan 8.380 nan 0.000 0.541 164 S N -0.945 114.800 115.700 0.076 0.000 2.419 164 S HA -0.034 4.436 4.470 -0.000 0.000 0.233 164 S C 1.130 175.624 174.600 -0.176 0.000 1.016 164 S CA 0.606 58.744 58.200 -0.103 0.000 0.974 164 S CB -0.049 62.972 63.200 -0.297 0.000 0.786 164 S HN 0.440 nan 8.310 nan 0.000 0.492 165 F N -0.117 119.881 119.950 0.079 0.000 2.693 165 F HA 0.274 4.800 4.527 -0.000 0.000 0.303 165 F C 0.522 176.207 175.800 -0.190 0.000 1.143 165 F CA -0.219 57.741 58.000 -0.068 0.000 1.389 165 F CB -0.367 38.539 39.000 -0.156 0.000 1.060 165 F HN 0.198 nan 8.300 nan 0.000 0.535 166 Y N -0.039 120.337 120.300 0.126 0.000 2.588 166 Y HA 0.272 4.822 4.550 -0.000 0.000 0.247 166 Y C 0.738 176.668 175.900 0.050 0.000 1.157 166 Y CA -0.584 57.564 58.100 0.081 0.000 1.215 166 Y CB 0.415 38.908 38.460 0.055 0.000 1.245 166 Y HN -0.143 nan 8.280 nan 0.000 0.534 167 R N -1.518 119.074 120.500 0.153 0.000 2.710 167 R HA 0.327 4.667 4.340 -0.000 0.000 0.270 167 R C -0.924 175.408 176.300 0.053 0.000 1.021 167 R CA -0.535 55.622 56.100 0.095 0.000 0.889 167 R CB 1.206 31.561 30.300 0.091 0.000 1.243 167 R HN -0.069 nan 8.270 nan 0.000 0.464 168 D N 0.327 120.750 120.400 0.039 0.000 2.214 168 D HA -0.032 4.608 4.640 -0.000 0.000 0.217 168 D C -0.106 176.204 176.300 0.017 0.000 0.973 168 D CA 0.995 55.009 54.000 0.023 0.000 0.880 168 D CB 0.405 41.217 40.800 0.019 0.000 1.031 168 D HN 0.334 nan 8.370 nan 0.000 0.468 169 Q N 1.847 121.658 119.800 0.019 0.000 2.296 169 Q HA 0.251 4.591 4.340 -0.000 0.000 0.262 169 Q C -2.150 173.866 176.000 0.027 0.000 0.981 169 Q CA -1.571 54.241 55.803 0.016 0.000 0.905 169 Q CB 0.989 29.734 28.738 0.012 0.000 1.186 169 Q HN 0.100 nan 8.270 nan 0.000 0.399 170 P HA 0.015 nan 4.420 nan 0.000 0.273 170 P C -0.482 176.881 177.300 0.105 0.000 1.250 170 P CA -0.274 62.854 63.100 0.046 0.000 0.793 170 P CB 0.425 32.129 31.700 0.006 0.000 1.011 171 H N 1.366 120.477 119.070 0.067 0.000 2.928 171 H HA 0.013 4.569 4.556 -0.000 0.000 0.338 171 H C -1.365 174.041 175.328 0.130 0.000 1.047 171 H CA -0.694 55.447 56.048 0.155 0.000 1.435 171 H CB 0.256 30.212 29.762 0.323 0.000 1.428 171 H HN 0.318 nan 8.280 nan 0.000 0.590 172 P HA -0.243 nan 4.420 nan 0.000 0.217 172 P C 1.078 178.530 177.300 0.254 0.000 1.151 172 P CA 1.292 64.503 63.100 0.185 0.000 0.849 172 P CB -0.060 31.706 31.700 0.110 0.000 0.787 173 F N 0.091 120.244 119.950 0.338 0.000 2.069 173 F HA -0.207 4.319 4.527 -0.000 0.000 0.298 173 F C 2.040 177.814 175.800 -0.043 0.000 1.113 173 F CA 1.597 59.673 58.000 0.127 0.000 1.214 173 F CB -0.791 38.297 39.000 0.146 0.000 0.978 173 F HN -0.225 nan 8.300 nan 0.000 0.474 174 I N -0.337 120.324 120.570 0.152 0.000 2.286 174 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 174 I C 2.183 178.226 176.117 -0.125 0.000 1.115 174 I CA 1.699 62.944 61.300 -0.091 0.000 1.392 174 I CB -0.868 37.022 38.000 -0.184 0.000 1.065 174 I HN 0.201 nan 8.210 nan 0.000 0.418 175 T N -0.186 114.336 114.554 -0.054 0.000 2.708 175 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 175 T C 2.126 176.752 174.700 -0.123 0.000 1.037 175 T CA 1.795 63.857 62.100 -0.063 0.000 1.146 175 T CB -0.239 68.618 68.868 -0.019 0.000 0.865 175 T HN 0.263 nan 8.240 nan 0.000 0.435 176 S N 0.954 116.552 115.700 -0.171 0.000 2.382 176 S HA -0.021 4.449 4.470 -0.000 0.000 0.228 176 S C 2.013 176.399 174.600 -0.356 0.000 1.027 176 S CA 1.098 59.149 58.200 -0.248 0.000 0.991 176 S CB -0.365 62.664 63.200 -0.285 0.000 0.823 176 S HN 0.431 nan 8.310 nan 0.000 0.469 177 M N 1.673 121.014 119.600 -0.432 0.000 2.064 177 M HA -0.117 4.363 4.480 -0.000 0.000 0.260 177 M C 2.201 178.333 176.300 -0.280 0.000 1.073 177 M CA 1.801 56.831 55.300 -0.451 0.000 1.124 177 M CB -0.361 31.971 32.600 -0.446 0.000 1.326 177 M HN 0.291 nan 8.290 nan 0.000 0.410 178 V N -1.165 118.649 119.914 -0.167 0.000 2.469 178 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 178 V C 2.238 178.292 176.094 -0.067 0.000 1.064 178 V CA 2.320 64.583 62.300 -0.061 0.000 1.066 178 V CB -1.264 30.545 31.823 -0.023 0.000 0.667 178 V HN 0.595 nan 8.190 nan 0.000 0.461 179 R N 0.695 121.131 120.500 -0.106 0.000 2.075 179 R HA 0.024 4.364 4.340 -0.000 0.000 0.232 179 R C 2.377 178.636 176.300 -0.069 0.000 1.126 179 R CA 1.572 57.627 56.100 -0.075 0.000 0.963 179 R CB -0.646 29.606 30.300 -0.079 0.000 0.858 179 R HN 0.595 nan 8.270 nan 0.000 0.435 180 A N 0.808 123.507 122.820 -0.201 0.000 1.898 180 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 180 A C 2.144 179.681 177.584 -0.077 0.000 1.181 180 A CA 1.071 52.962 52.037 -0.243 0.000 0.620 180 A CB -0.538 17.916 19.000 -0.910 0.000 0.819 180 A HN 0.340 nan 8.150 nan 0.000 0.442 181 L N -0.806 120.350 121.223 -0.113 0.000 2.046 181 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 181 L C 2.393 179.350 176.870 0.145 0.000 1.077 181 L CA 1.901 56.848 54.840 0.179 0.000 0.747 181 L CB -0.521 41.634 42.059 0.160 0.000 0.896 181 L HN 0.462 nan 8.230 nan 0.000 0.432 182 D N -0.298 120.140 120.400 0.063 0.000 2.092 182 D HA -0.280 4.360 4.640 -0.000 0.000 0.193 182 D C 2.027 178.342 176.300 0.026 0.000 0.994 182 D CA 1.479 55.504 54.000 0.041 0.000 0.828 182 D CB 0.131 40.939 40.800 0.014 0.000 0.963 182 D HN 0.190 nan 8.370 nan 0.000 0.450 183 E N 0.207 120.421 120.200 0.023 0.000 2.058 183 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 183 E C 1.849 178.373 176.600 -0.127 0.000 0.997 183 E CA 1.701 58.069 56.400 -0.053 0.000 0.801 183 E CB -0.677 29.013 29.700 -0.017 0.000 0.746 183 E HN 0.288 nan 8.360 nan 0.000 0.450 184 A N 0.496 123.324 122.820 0.012 0.000 1.917 184 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 184 A C 2.190 179.784 177.584 0.017 0.000 1.182 184 A CA 2.293 54.348 52.037 0.030 0.000 0.633 184 A CB -0.554 18.667 19.000 0.368 0.000 0.819 184 A HN 0.346 nan 8.150 nan 0.000 0.448 185 M N -0.208 119.432 119.600 0.067 0.000 2.319 185 M HA -0.037 4.443 4.480 -0.000 0.000 0.265 185 M C 1.396 177.701 176.300 0.009 0.000 1.068 185 M CA 0.912 56.255 55.300 0.073 0.000 1.118 185 M CB -1.508 31.137 32.600 0.075 0.000 1.395 185 M HN 0.385 nan 8.290 nan 0.000 0.435 186 N N 0.925 119.593 118.700 -0.053 0.000 2.270 186 N HA -0.078 4.662 4.740 -0.000 0.000 0.181 186 N C 1.571 176.998 175.510 -0.138 0.000 1.016 186 N CA 0.935 53.935 53.050 -0.084 0.000 0.870 186 N CB -0.185 38.245 38.487 -0.096 0.000 0.979 186 N HN 0.415 nan 8.380 nan 0.000 0.431 187 K N 0.359 120.594 120.400 -0.275 0.000 2.147 187 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 187 K C 1.763 178.291 176.600 -0.119 0.000 1.049 187 K CA 0.443 56.475 56.287 -0.425 0.000 0.936 187 K CB -0.166 31.653 32.500 -1.134 0.000 0.722 187 K HN 0.021 nan 8.250 nan 0.000 0.446 188 L N 1.645 122.913 121.223 0.076 0.000 2.042 188 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 188 L C 1.313 178.258 176.870 0.124 0.000 1.076 188 L CA 1.879 56.877 54.840 0.262 0.000 0.749 188 L CB -0.181 42.006 42.059 0.214 0.000 0.893 188 L HN 0.157 nan 8.230 nan 0.000 0.432 189 Q N -1.071 118.757 119.800 0.047 0.000 2.201 189 Q HA 0.126 4.466 4.340 -0.000 0.000 0.217 189 Q C -0.158 175.835 176.000 -0.012 0.000 0.860 189 Q CA -0.352 55.464 55.803 0.021 0.000 0.984 189 Q CB 0.495 29.237 28.738 0.007 0.000 1.095 189 Q HN 0.107 nan 8.270 nan 0.000 0.477 190 R N 0.421 120.907 120.500 -0.023 0.000 2.438 190 R HA 0.214 4.553 4.340 -0.000 0.000 0.287 190 R C 0.780 177.057 176.300 -0.039 0.000 1.077 190 R CA 0.182 56.246 56.100 -0.061 0.000 1.034 190 R CB 0.559 30.798 30.300 -0.101 0.000 0.993 190 R HN 0.241 nan 8.270 nan 0.000 0.459 191 A N 3.723 126.509 122.820 -0.056 0.000 1.969 191 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 191 A C -0.209 177.352 177.584 -0.037 0.000 1.169 191 A CA 1.673 53.685 52.037 -0.041 0.000 0.635 191 A CB -0.765 18.205 19.000 -0.050 0.000 0.810 191 A HN 0.955 nan 8.150 nan 0.000 0.445 192 N N -4.911 113.750 118.700 -0.064 0.000 4.107 192 N HA 0.235 4.975 4.740 -0.000 0.000 0.213 192 N C -3.534 171.912 175.510 -0.106 0.000 1.216 192 N CA -1.220 51.796 53.050 -0.058 0.000 0.925 192 N CB 0.175 38.638 38.487 -0.040 0.000 1.541 192 N HN -0.257 nan 8.380 nan 0.000 0.524 193 P HA 0.242 nan 4.420 nan 0.000 0.238 193 P C -0.992 176.229 177.300 -0.132 0.000 1.729 193 P CA 0.870 63.900 63.100 -0.116 0.000 1.055 193 P CB -0.200 31.462 31.700 -0.064 0.000 1.980 194 D N -0.021 120.221 120.400 -0.263 0.000 4.427 194 D HA -0.027 4.613 4.640 -0.000 0.000 0.104 194 D C -1.056 174.934 176.300 -0.517 0.000 0.424 194 D CA 0.110 53.868 54.000 -0.403 0.000 0.582 194 D CB -0.904 39.881 40.800 -0.026 0.000 1.646 194 D HN 0.121 nan 8.370 nan 0.000 0.095 195 D N -0.613 119.516 120.400 -0.451 0.000 2.484 195 D HA 0.172 4.811 4.640 -0.000 0.000 0.223 195 D C -2.431 173.739 176.300 -0.217 0.000 1.350 195 D CA -0.723 53.103 54.000 -0.290 0.000 0.940 195 D CB 1.301 42.020 40.800 -0.136 0.000 1.525 195 D HN -0.120 nan 8.370 nan 0.000 0.504 196 P HA 0.187 nan 4.420 nan 0.000 0.222 196 P C 0.033 177.005 177.300 -0.547 0.000 1.157 196 P CA 0.225 63.139 63.100 -0.311 0.000 0.816 196 P CB 0.213 31.825 31.700 -0.146 0.000 0.813 197 A N -0.098 122.495 122.820 -0.378 0.000 2.589 197 A HA -0.082 4.238 4.320 -0.000 0.000 0.265 197 A C -0.554 176.772 177.584 -0.429 0.000 0.973 197 A CA 1.094 52.937 52.037 -0.323 0.000 0.902 197 A CB -1.405 17.447 19.000 -0.247 0.000 0.846 197 A HN 0.118 nan 8.150 nan 0.000 0.489 198 Y N 0.326 120.604 120.300 -0.037 0.000 2.634 198 Y HA 0.300 4.850 4.550 -0.000 0.000 0.340 198 Y C 1.505 177.395 175.900 -0.017 0.000 1.058 198 Y CA -0.771 57.316 58.100 -0.023 0.000 1.081 198 Y CB 1.035 39.486 38.460 -0.016 0.000 1.295 198 Y HN 0.783 nan 8.280 nan 0.000 0.487 199 D N -0.394 120.130 120.400 0.205 0.000 2.239 199 D HA -0.243 4.397 4.640 -0.000 0.000 0.202 199 D C 1.118 177.469 176.300 0.085 0.000 0.993 199 D CA 1.744 55.807 54.000 0.106 0.000 0.874 199 D CB 0.113 40.956 40.800 0.073 0.000 0.922 199 D HN 0.632 nan 8.370 nan 0.000 0.464 200 E N 1.072 121.331 120.200 0.097 0.000 2.047 200 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 200 E C 1.915 178.555 176.600 0.067 0.000 0.987 200 E CA 1.137 57.579 56.400 0.069 0.000 0.799 200 E CB -0.192 29.548 29.700 0.067 0.000 0.752 200 E HN 0.444 nan 8.360 nan 0.000 0.449 201 N N -0.297 118.444 118.700 0.068 0.000 2.106 201 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 201 N C 1.733 177.285 175.510 0.070 0.000 1.029 201 N CA 0.894 53.970 53.050 0.044 0.000 0.848 201 N CB -0.081 38.402 38.487 -0.007 0.000 1.007 201 N HN 0.001 nan 8.380 nan 0.000 0.423 202 K N 1.484 121.918 120.400 0.058 0.000 2.152 202 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 202 K C 2.186 178.877 176.600 0.152 0.000 1.048 202 K CA 0.943 57.290 56.287 0.099 0.000 0.933 202 K CB 0.057 32.593 32.500 0.060 0.000 0.721 202 K HN 0.076 nan 8.250 nan 0.000 0.447 203 R N 0.181 120.740 120.500 0.099 0.000 2.066 203 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 203 R C 2.316 178.659 176.300 0.072 0.000 1.131 203 R CA 1.360 57.506 56.100 0.076 0.000 0.955 203 R CB -0.066 30.264 30.300 0.051 0.000 0.851 203 R HN 0.146 nan 8.270 nan 0.000 0.432 204 Q N 0.023 119.868 119.800 0.075 0.000 2.061 204 Q HA -0.206 4.133 4.340 -0.000 0.000 0.204 204 Q C 1.869 177.910 176.000 0.070 0.000 0.984 204 Q CA 1.702 57.538 55.803 0.055 0.000 0.846 204 Q CB -0.448 28.320 28.738 0.051 0.000 0.902 204 Q HN 0.332 nan 8.270 nan 0.000 0.421 205 F N 1.656 121.583 119.950 -0.038 0.000 2.095 205 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 205 F C 2.201 177.982 175.800 -0.031 0.000 1.104 205 F CA 1.748 59.721 58.000 -0.046 0.000 1.232 205 F CB -0.170 38.814 39.000 -0.027 0.000 0.987 205 F HN 0.156 nan 8.300 nan 0.000 0.475 206 Q N -0.306 119.496 119.800 0.004 0.000 2.224 206 Q HA -0.172 4.168 4.340 -0.000 0.000 0.203 206 Q C 2.081 178.011 176.000 -0.117 0.000 0.970 206 Q CA 1.499 57.247 55.803 -0.092 0.000 0.865 206 Q CB -0.172 28.586 28.738 0.033 0.000 0.922 206 Q HN 0.608 nan 8.270 nan 0.000 0.445 207 E N 0.593 120.744 120.200 -0.081 0.000 2.046 207 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 207 E C 1.518 178.040 176.600 -0.130 0.000 0.982 207 E CA 0.819 57.173 56.400 -0.077 0.000 0.800 207 E CB 0.133 29.808 29.700 -0.042 0.000 0.756 207 E HN 0.288 nan 8.360 nan 0.000 0.449 208 D N 0.936 121.228 120.400 -0.179 0.000 2.133 208 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 208 D C 1.973 178.087 176.300 -0.310 0.000 0.997 208 D CA 0.944 54.796 54.000 -0.248 0.000 0.840 208 D CB -0.194 40.431 40.800 -0.292 0.000 0.947 208 D HN 0.204 nan 8.370 nan 0.000 0.452 209 I N 0.816 121.171 120.570 -0.358 0.000 2.226 209 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 209 I C 2.289 178.307 176.117 -0.165 0.000 1.100 209 I CA 1.097 62.222 61.300 -0.291 0.000 1.374 209 I CB -0.120 37.697 38.000 -0.304 0.000 1.057 209 I HN -0.028 nan 8.210 nan 0.000 0.413 210 K N 0.383 120.704 120.400 -0.131 0.000 2.026 210 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 210 K C 2.076 178.640 176.600 -0.060 0.000 1.048 210 K CA 1.284 57.527 56.287 -0.075 0.000 0.929 210 K CB -0.286 32.182 32.500 -0.053 0.000 0.713 210 K HN 0.143 nan 8.250 nan 0.000 0.439 211 V N 1.763 121.630 119.914 -0.077 0.000 2.332 211 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 211 V C 2.293 178.385 176.094 -0.004 0.000 1.055 211 V CA 1.781 64.061 62.300 -0.034 0.000 1.038 211 V CB -0.416 31.374 31.823 -0.055 0.000 0.651 211 V HN 0.350 nan 8.190 nan 0.000 0.450 212 M N -0.181 119.335 119.600 -0.140 0.000 2.099 212 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 212 M C 2.224 178.569 176.300 0.075 0.000 1.067 212 M CA 1.697 56.925 55.300 -0.119 0.000 1.124 212 M CB -0.623 31.761 32.600 -0.361 0.000 1.353 212 M HN 0.364 nan 8.290 nan 0.000 0.410 213 N N 0.820 119.510 118.700 -0.018 0.000 2.120 213 N HA -0.155 4.584 4.740 -0.000 0.000 0.188 213 N C 1.221 176.715 175.510 -0.027 0.000 1.024 213 N CA 1.483 54.509 53.050 -0.039 0.000 0.852 213 N CB -0.634 37.818 38.487 -0.058 0.000 1.003 213 N HN 0.280 nan 8.380 nan 0.000 0.424 214 D N 0.624 121.022 120.400 -0.004 0.000 2.092 214 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 214 D C 2.025 178.329 176.300 0.008 0.000 0.994 214 D CA 0.503 54.504 54.000 0.002 0.000 0.828 214 D CB -0.438 40.371 40.800 0.015 0.000 0.963 214 D HN 0.097 nan 8.370 nan 0.000 0.450 215 L N 0.381 121.636 121.223 0.053 0.000 2.017 215 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 215 L C 2.183 179.001 176.870 -0.087 0.000 1.073 215 L CA 1.401 56.242 54.840 0.002 0.000 0.745 215 L CB -0.531 41.566 42.059 0.064 0.000 0.894 215 L HN -0.067 nan 8.230 nan 0.000 0.432 216 V N -0.126 119.735 119.914 -0.088 0.000 2.261 216 V HA -0.290 3.829 4.120 -0.000 0.000 0.246 216 V C 2.348 178.358 176.094 -0.140 0.000 1.047 216 V CA 1.944 64.124 62.300 -0.201 0.000 1.015 216 V CB -0.951 30.739 31.823 -0.220 0.000 0.642 216 V HN 0.427 nan 8.190 nan 0.000 0.446 217 D N 0.105 120.440 120.400 -0.107 0.000 2.106 217 D HA -0.230 4.410 4.640 -0.000 0.000 0.191 217 D C 2.141 178.403 176.300 -0.063 0.000 0.997 217 D CA 1.893 55.839 54.000 -0.090 0.000 0.834 217 D CB -0.285 40.469 40.800 -0.078 0.000 0.956 217 D HN 0.463 nan 8.370 nan 0.000 0.448 218 K N 0.508 120.878 120.400 -0.050 0.000 2.032 218 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 218 K C 2.338 178.919 176.600 -0.031 0.000 1.048 218 K CA 1.023 57.289 56.287 -0.034 0.000 0.927 218 K CB -0.257 32.228 32.500 -0.025 0.000 0.712 218 K HN 0.092 nan 8.250 nan 0.000 0.441 219 I N 1.006 121.553 120.570 -0.040 0.000 2.208 219 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 219 I C 2.290 178.405 176.117 -0.003 0.000 1.097 219 I CA 1.295 62.589 61.300 -0.009 0.000 1.363 219 I CB -0.244 37.779 38.000 0.038 0.000 1.051 219 I HN 0.234 nan 8.210 nan 0.000 0.413 220 I N 0.655 121.207 120.570 -0.029 0.000 2.179 220 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 220 I C 2.818 178.922 176.117 -0.022 0.000 1.088 220 I CA 1.369 62.652 61.300 -0.029 0.000 1.357 220 I CB -0.505 37.461 38.000 -0.057 0.000 1.051 220 I HN 0.193 nan 8.210 nan 0.000 0.409 221 A N 0.567 123.371 122.820 -0.026 0.000 1.877 221 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 221 A C 1.957 179.534 177.584 -0.012 0.000 1.186 221 A CA 2.126 54.151 52.037 -0.019 0.000 0.620 221 A CB -0.623 18.364 19.000 -0.021 0.000 0.822 221 A HN 0.338 nan 8.150 nan 0.000 0.443 222 D N -0.769 119.626 120.400 -0.009 0.000 2.117 222 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 222 D C 2.116 178.414 176.300 -0.004 0.000 0.987 222 D CA 1.257 55.254 54.000 -0.005 0.000 0.829 222 D CB -0.292 40.507 40.800 -0.001 0.000 0.961 222 D HN 0.379 nan 8.370 nan 0.000 0.460 223 R N 0.752 121.252 120.500 -0.002 0.000 2.091 223 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 223 R C 2.079 178.377 176.300 -0.005 0.000 1.136 223 R CA 1.399 57.498 56.100 -0.001 0.000 0.959 223 R CB 0.069 30.372 30.300 0.004 0.000 0.856 223 R HN 0.258 nan 8.270 nan 0.000 0.437 224 K N -1.125 119.271 120.400 -0.005 0.000 2.432 224 K HA 0.138 4.458 4.320 -0.000 0.000 0.196 224 K C 1.644 178.240 176.600 -0.006 0.000 1.038 224 K CA 1.033 57.317 56.287 -0.006 0.000 0.986 224 K CB 0.285 32.782 32.500 -0.006 0.000 0.782 224 K HN 0.101 nan 8.250 nan 0.000 0.485 225 A N 2.139 124.955 122.820 -0.006 0.000 1.911 225 A HA -0.073 4.247 4.320 -0.000 0.000 0.212 225 A C 2.294 179.874 177.584 -0.006 0.000 1.189 225 A CA 1.229 53.263 52.037 -0.006 0.000 0.639 225 A CB -0.371 18.625 19.000 -0.006 0.000 0.839 225 A HN 0.423 nan 8.150 nan 0.000 0.449 226 S N -1.497 114.199 115.700 -0.006 0.000 2.414 226 S HA 0.317 4.786 4.470 -0.000 0.000 0.227 226 S C 1.555 176.150 174.600 -0.008 0.000 1.022 226 S CA 1.302 59.497 58.200 -0.008 0.000 0.958 226 S CB -0.487 62.708 63.200 -0.008 0.000 0.797 226 S HN 1.950 nan 8.310 nan 0.000 0.493 227 G N 1.072 109.867 108.800 -0.008 0.000 2.147 227 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.244 227 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.244 227 G C -0.268 174.625 174.900 -0.012 0.000 1.005 227 G CA 0.209 45.304 45.100 -0.009 0.000 0.713 227 G HN 0.631 nan 8.290 nan 0.000 0.515 228 E N 0.146 120.338 120.200 -0.013 0.000 2.384 228 E HA 0.215 4.565 4.350 -0.000 0.000 0.266 228 E C 0.137 176.723 176.600 -0.024 0.000 1.012 228 E CA 0.167 56.556 56.400 -0.018 0.000 0.901 228 E CB 0.358 30.047 29.700 -0.019 0.000 0.967 228 E HN 0.198 nan 8.360 nan 0.000 0.435 229 Q N 2.260 122.043 119.800 -0.028 0.000 2.626 229 Q HA 0.247 4.586 4.340 -0.000 0.000 0.239 229 Q C -0.767 175.203 176.000 -0.049 0.000 1.101 229 Q CA -0.176 55.604 55.803 -0.039 0.000 0.918 229 Q CB 1.320 30.039 28.738 -0.032 0.000 1.151 229 Q HN 0.344 nan 8.270 nan 0.000 0.531 230 S N 0.437 116.102 115.700 -0.057 0.000 2.713 230 S HA 0.318 4.788 4.470 -0.000 0.000 0.277 230 S C 0.519 175.067 174.600 -0.087 0.000 1.168 230 S CA -0.673 57.494 58.200 -0.055 0.000 0.994 230 S CB 0.787 63.962 63.200 -0.041 0.000 1.054 230 S HN 0.369 nan 8.310 nan 0.000 0.555 231 D N 1.545 121.913 120.400 -0.053 0.000 2.395 231 D HA 0.088 4.728 4.640 -0.000 0.000 0.226 231 D C -0.190 176.136 176.300 0.042 0.000 1.146 231 D CA 0.046 54.017 54.000 -0.048 0.000 0.830 231 D CB -0.103 40.696 40.800 -0.001 0.000 0.958 231 D HN 0.521 nan 8.370 nan 0.000 0.501 232 D N -0.431 119.965 120.400 -0.007 0.000 2.387 232 D HA 0.049 4.689 4.640 -0.000 0.000 0.251 232 D C 1.540 177.851 176.300 0.018 0.000 1.141 232 D CA -0.638 53.394 54.000 0.053 0.000 0.987 232 D CB 1.415 42.236 40.800 0.036 0.000 1.116 232 D HN -0.058 nan 8.370 nan 0.000 0.491 233 L N -0.447 120.825 121.223 0.081 0.000 2.141 233 L HA -0.140 4.199 4.340 -0.000 0.000 0.209 233 L C 2.354 179.315 176.870 0.153 0.000 1.094 233 L CA 0.508 55.439 54.840 0.152 0.000 0.763 233 L CB -0.438 41.682 42.059 0.101 0.000 0.908 233 L HN 0.350 nan 8.230 nan 0.000 0.437 234 L N -0.493 120.804 121.223 0.123 0.000 2.079 234 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 234 L C 2.398 179.291 176.870 0.039 0.000 1.081 234 L CA 2.070 56.966 54.840 0.092 0.000 0.752 234 L CB -0.876 41.243 42.059 0.100 0.000 0.896 234 L HN 0.157 nan 8.230 nan 0.000 0.433 235 T N -1.335 113.201 114.554 -0.031 0.000 2.708 235 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 235 T C 1.668 176.342 174.700 -0.044 0.000 1.037 235 T CA 1.930 63.980 62.100 -0.083 0.000 1.146 235 T CB -0.483 68.276 68.868 -0.182 0.000 0.865 235 T HN 0.590 nan 8.240 nan 0.000 0.435 236 H N 0.298 119.395 119.070 0.045 0.000 2.387 236 H HA 0.067 4.623 4.556 -0.000 0.000 0.299 236 H C 2.312 177.662 175.328 0.037 0.000 1.090 236 H CA 1.180 57.248 56.048 0.033 0.000 1.332 236 H CB -0.126 29.655 29.762 0.032 0.000 1.386 236 H HN 0.263 nan 8.280 nan 0.000 0.516 237 M N -0.079 119.620 119.600 0.165 0.000 2.254 237 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 237 M C 1.732 178.070 176.300 0.064 0.000 1.066 237 M CA 1.074 56.439 55.300 0.107 0.000 1.123 237 M CB 0.139 32.797 32.600 0.098 0.000 1.388 237 M HN 0.263 nan 8.290 nan 0.000 0.425 238 L N -0.233 121.020 121.223 0.050 0.000 2.240 238 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 238 L C 1.093 177.981 176.870 0.030 0.000 1.106 238 L CA 0.615 55.472 54.840 0.029 0.000 0.793 238 L CB -0.399 41.669 42.059 0.015 0.000 0.927 238 L HN 0.304 nan 8.230 nan 0.000 0.446 239 N N -0.259 118.467 118.700 0.044 0.000 2.203 239 N HA 0.119 4.859 4.740 -0.000 0.000 0.207 239 N C 0.462 176.001 175.510 0.048 0.000 1.130 239 N CA 0.123 53.198 53.050 0.041 0.000 0.861 239 N CB 0.746 39.257 38.487 0.041 0.000 1.005 239 N HN 0.122 nan 8.380 nan 0.000 0.507 240 G N -0.140 108.692 108.800 0.054 0.000 2.434 240 G HA2 0.619 4.579 3.960 -0.000 0.000 0.330 240 G HA3 0.619 4.579 3.960 -0.000 0.000 0.330 240 G C -0.562 174.357 174.900 0.031 0.000 1.155 240 G CA -0.365 44.762 45.100 0.044 0.000 0.917 240 G HN -0.046 nan 8.290 nan 0.000 0.493 241 K N 0.455 120.869 120.400 0.023 0.000 2.513 241 K HA 0.173 4.493 4.320 -0.000 0.000 0.251 241 K C -1.551 175.059 176.600 0.016 0.000 0.939 241 K CA -0.868 55.430 56.287 0.020 0.000 0.793 241 K CB 2.560 35.072 32.500 0.018 0.000 1.241 241 K HN 0.560 nan 8.250 nan 0.000 0.431 242 D N 3.446 123.857 120.400 0.018 0.000 2.434 242 D HA 0.030 4.670 4.640 -0.000 0.000 0.252 242 D C -1.729 174.583 176.300 0.021 0.000 1.185 242 D CA -1.613 52.398 54.000 0.018 0.000 0.886 242 D CB 1.207 42.020 40.800 0.022 0.000 1.148 242 D HN 0.133 nan 8.370 nan 0.000 0.483 243 P HA -0.139 nan 4.420 nan 0.000 0.216 243 P C 0.805 178.122 177.300 0.028 0.000 1.150 243 P CA 1.203 64.316 63.100 0.022 0.000 0.837 243 P CB 0.272 31.985 31.700 0.022 0.000 0.786 244 E N -0.835 119.385 120.200 0.034 0.000 1.998 244 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 244 E C 2.050 178.672 176.600 0.035 0.000 1.003 244 E CA 2.050 58.474 56.400 0.039 0.000 0.829 244 E CB -0.892 28.838 29.700 0.050 0.000 0.777 244 E HN 0.324 nan 8.360 nan 0.000 0.460 245 T N -2.628 111.947 114.554 0.036 0.000 3.023 245 T HA 0.106 4.456 4.350 -0.000 0.000 0.266 245 T C 1.637 176.353 174.700 0.028 0.000 1.093 245 T CA 0.803 62.923 62.100 0.033 0.000 1.129 245 T CB 0.149 69.039 68.868 0.037 0.000 0.899 245 T HN 0.437 nan 8.240 nan 0.000 0.491 246 G N 1.084 109.899 108.800 0.025 0.000 2.179 246 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 246 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 246 G C -0.204 174.708 174.900 0.021 0.000 0.977 246 G CA 0.228 45.341 45.100 0.022 0.000 0.641 246 G HN 0.674 nan 8.290 nan 0.000 0.533 247 E N 1.328 121.542 120.200 0.024 0.000 2.283 247 E HA 0.518 4.868 4.350 -0.000 0.000 0.271 247 E C -2.090 174.524 176.600 0.023 0.000 1.031 247 E CA -1.722 54.693 56.400 0.023 0.000 0.868 247 E CB 1.920 31.636 29.700 0.027 0.000 1.094 247 E HN 0.274 nan 8.360 nan 0.000 0.401 248 P HA 0.238 nan 4.420 nan 0.000 0.289 248 P C -0.991 176.322 177.300 0.023 0.000 1.300 248 P CA -0.681 62.432 63.100 0.022 0.000 0.828 248 P CB 0.940 32.652 31.700 0.020 0.000 1.235 249 L N 1.589 122.826 121.223 0.023 0.000 2.375 249 L HA 0.258 4.598 4.340 -0.000 0.000 0.271 249 L C 0.788 177.669 176.870 0.017 0.000 1.107 249 L CA 0.047 54.901 54.840 0.023 0.000 0.806 249 L CB -0.365 41.708 42.059 0.022 0.000 1.146 249 L HN 0.431 nan 8.230 nan 0.000 0.447 250 D N 1.243 121.655 120.400 0.020 0.000 2.344 250 D HA 0.033 4.673 4.640 -0.000 0.000 0.244 250 D C 0.208 176.504 176.300 -0.007 0.000 1.134 250 D CA -0.488 53.519 54.000 0.012 0.000 0.930 250 D CB 1.015 41.828 40.800 0.022 0.000 1.175 250 D HN 0.379 nan 8.370 nan 0.000 0.437 251 D N 0.129 120.516 120.400 -0.021 0.000 2.221 251 D HA -0.181 4.459 4.640 -0.000 0.000 0.204 251 D C 1.488 177.732 176.300 -0.093 0.000 0.982 251 D CA 1.028 54.998 54.000 -0.049 0.000 0.857 251 D CB 0.081 40.853 40.800 -0.046 0.000 0.934 251 D HN 0.673 nan 8.370 nan 0.000 0.475 252 E N 0.404 120.551 120.200 -0.089 0.000 2.076 252 E HA -0.125 4.224 4.350 -0.000 0.000 0.190 252 E C 1.921 178.416 176.600 -0.175 0.000 0.979 252 E CA 0.388 56.678 56.400 -0.184 0.000 0.807 252 E CB 0.097 29.744 29.700 -0.089 0.000 0.761 252 E HN 0.131 nan 8.360 nan 0.000 0.454 253 N N 0.799 119.510 118.700 0.018 0.000 2.106 253 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 253 N C 2.123 177.647 175.510 0.024 0.000 1.029 253 N CA 1.038 54.162 53.050 0.123 0.000 0.848 253 N CB -0.091 38.453 38.487 0.094 0.000 1.007 253 N HN 0.204 nan 8.380 nan 0.000 0.423 254 I N 1.386 121.935 120.570 -0.036 0.000 2.151 254 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 254 I C 2.833 178.871 176.117 -0.132 0.000 1.080 254 I CA 1.156 62.416 61.300 -0.067 0.000 1.339 254 I CB -0.335 37.635 38.000 -0.050 0.000 1.039 254 I HN 0.268 nan 8.210 nan 0.000 0.409 255 R N 0.410 120.799 120.500 -0.185 0.000 2.083 255 R HA -0.235 4.105 4.340 -0.000 0.000 0.237 255 R C 2.426 178.601 176.300 -0.208 0.000 1.137 255 R CA 1.906 57.853 56.100 -0.255 0.000 0.951 255 R CB -0.495 29.590 30.300 -0.359 0.000 0.851 255 R HN 0.215 nan 8.270 nan 0.000 0.434 256 Y N 1.325 121.564 120.300 -0.102 0.000 2.274 256 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 256 Y C 2.647 178.436 175.900 -0.186 0.000 1.145 256 Y CA 1.051 59.094 58.100 -0.096 0.000 1.203 256 Y CB -0.357 38.068 38.460 -0.058 0.000 0.984 256 Y HN 0.162 nan 8.280 nan 0.000 0.533 257 Q N 0.041 119.765 119.800 -0.125 0.000 2.050 257 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 257 Q C 2.521 178.031 176.000 -0.817 0.000 0.980 257 Q CA 1.500 57.013 55.803 -0.483 0.000 0.840 257 Q CB -0.770 27.698 28.738 -0.450 0.000 0.898 257 Q HN 0.529 nan 8.270 nan 0.000 0.424 258 I N 0.564 120.841 120.570 -0.488 0.000 2.163 258 I HA -0.278 3.891 4.170 -0.000 0.000 0.243 258 I C 2.288 178.299 176.117 -0.177 0.000 1.085 258 I CA 1.084 62.178 61.300 -0.344 0.000 1.347 258 I CB -0.310 37.476 38.000 -0.357 0.000 1.044 258 I HN 0.129 nan 8.210 nan 0.000 0.408 259 I N 0.125 120.641 120.570 -0.089 0.000 2.394 259 I HA -0.241 3.928 4.170 -0.000 0.000 0.251 259 I C 2.444 178.619 176.117 0.096 0.000 1.136 259 I CA 1.354 62.707 61.300 0.088 0.000 1.425 259 I CB -0.581 37.523 38.000 0.173 0.000 1.079 259 I HN 0.254 nan 8.210 nan 0.000 0.425 260 T N 0.975 115.518 114.554 -0.018 0.000 2.821 260 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 260 T C 1.615 176.365 174.700 0.083 0.000 1.046 260 T CA 1.227 63.327 62.100 0.000 0.000 1.139 260 T CB -0.215 68.619 68.868 -0.057 0.000 0.871 260 T HN 0.106 nan 8.240 nan 0.000 0.454 261 F N 1.111 121.078 119.950 0.029 0.000 2.216 261 F HA 0.107 4.634 4.527 -0.000 0.000 0.300 261 F C 2.000 177.816 175.800 0.026 0.000 1.085 261 F CA 0.044 58.041 58.000 -0.005 0.000 1.326 261 F CB -1.110 37.899 39.000 0.014 0.000 1.027 261 F HN 0.151 nan 8.300 nan 0.000 0.497 262 L N -0.040 121.343 121.223 0.267 0.000 2.034 262 L HA -0.128 4.212 4.340 -0.000 0.000 0.203 262 L C 2.534 179.564 176.870 0.266 0.000 1.074 262 L CA 1.180 56.162 54.840 0.238 0.000 0.748 262 L CB -0.793 41.409 42.059 0.239 0.000 0.905 262 L HN 0.092 nan 8.230 nan 0.000 0.439 263 I N -2.012 118.695 120.570 0.228 0.000 2.286 263 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 263 I C 2.446 178.628 176.117 0.109 0.000 1.115 263 I CA 1.592 63.045 61.300 0.254 0.000 1.392 263 I CB -0.528 37.651 38.000 0.298 0.000 1.065 263 I HN 0.096 nan 8.210 nan 0.000 0.418 264 A N 1.191 123.973 122.820 -0.064 0.000 2.021 264 A HA 0.234 4.554 4.320 -0.000 0.000 0.216 264 A C 2.305 179.799 177.584 -0.150 0.000 1.163 264 A CA 1.150 52.978 52.037 -0.348 0.000 0.676 264 A CB -1.007 17.585 19.000 -0.680 0.000 0.818 264 A HN 0.547 nan 8.150 nan 0.000 0.453 265 G N -0.664 108.140 108.800 0.006 0.000 2.559 265 G HA2 0.035 3.995 3.960 -0.000 0.000 0.209 265 G HA3 0.035 3.995 3.960 -0.000 0.000 0.209 265 G C 1.328 176.297 174.900 0.116 0.000 1.151 265 G CA 0.946 46.075 45.100 0.048 0.000 0.824 265 G HN 0.842 nan 8.290 nan 0.000 0.543 266 H N 0.079 119.191 119.070 0.070 0.000 2.290 266 H HA 0.094 4.650 4.556 -0.000 0.000 0.298 266 H C 2.184 177.559 175.328 0.078 0.000 1.087 266 H CA 1.769 57.868 56.048 0.086 0.000 1.291 266 H CB -0.354 29.453 29.762 0.074 0.000 1.369 266 H HN 0.361 nan 8.280 nan 0.000 0.492 267 E N 0.428 120.132 120.200 -0.826 0.000 2.077 267 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 267 E C 2.491 179.002 176.600 -0.150 0.000 0.989 267 E CA 0.926 57.012 56.400 -0.523 0.000 0.800 267 E CB -0.225 29.196 29.700 -0.464 0.000 0.746 267 E HN 0.653 nan 8.360 nan 0.000 0.452 268 A N 0.256 123.032 122.820 -0.073 0.000 1.898 268 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 268 A C 2.332 179.972 177.584 0.093 0.000 1.181 268 A CA 1.908 53.966 52.037 0.035 0.000 0.620 268 A CB -0.746 18.283 19.000 0.048 0.000 0.819 268 A HN 0.229 nan 8.150 nan 0.000 0.442 269 T N 0.336 114.954 114.554 0.108 0.000 2.904 269 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 269 T C 2.294 177.079 174.700 0.141 0.000 1.059 269 T CA 1.727 63.925 62.100 0.162 0.000 1.137 269 T CB -0.342 68.650 68.868 0.206 0.000 0.879 269 T HN 0.765 nan 8.240 nan 0.000 0.467 270 S N 1.341 117.098 115.700 0.096 0.000 2.387 270 S HA 0.059 4.529 4.470 -0.000 0.000 0.226 270 S C 2.418 177.054 174.600 0.061 0.000 1.026 270 S CA 0.996 59.246 58.200 0.083 0.000 0.972 270 S CB -0.965 62.270 63.200 0.059 0.000 0.814 270 S HN 0.473 nan 8.310 nan 0.000 0.477 271 G N 2.197 111.029 108.800 0.053 0.000 2.418 271 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.217 271 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.217 271 G C 1.404 176.419 174.900 0.191 0.000 1.158 271 G CA 0.804 45.936 45.100 0.054 0.000 0.771 271 G HN 0.448 nan 8.290 nan 0.000 0.545 272 L N -0.004 121.365 121.223 0.244 0.000 1.990 272 L HA -0.060 4.280 4.340 -0.000 0.000 0.213 272 L C 2.887 179.918 176.870 0.269 0.000 1.072 272 L CA 1.516 56.533 54.840 0.297 0.000 0.755 272 L CB -0.329 41.868 42.059 0.229 0.000 0.889 272 L HN 0.233 nan 8.230 nan 0.000 0.432 273 L N -0.688 120.650 121.223 0.192 0.000 2.131 273 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 273 L C 2.615 179.579 176.870 0.158 0.000 1.092 273 L CA 1.250 56.191 54.840 0.169 0.000 0.759 273 L CB -0.336 41.809 42.059 0.144 0.000 0.903 273 L HN 0.252 nan 8.230 nan 0.000 0.435 274 S N -0.615 115.142 115.700 0.095 0.000 2.355 274 S HA -0.105 4.365 4.470 -0.000 0.000 0.222 274 S C 1.755 176.371 174.600 0.025 0.000 1.031 274 S CA 1.139 59.364 58.200 0.042 0.000 0.993 274 S CB -0.330 62.785 63.200 -0.143 0.000 0.859 274 S HN 0.215 nan 8.310 nan 0.000 0.453 275 F N 2.083 122.091 119.950 0.097 0.000 2.134 275 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 275 F C 2.574 178.500 175.800 0.210 0.000 1.097 275 F CA 0.620 58.668 58.000 0.079 0.000 1.264 275 F CB -1.015 38.110 39.000 0.209 0.000 1.001 275 F HN 0.173 nan 8.300 nan 0.000 0.479 276 A N -0.226 122.850 122.820 0.428 0.000 1.902 276 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 276 A C 2.139 179.841 177.584 0.197 0.000 1.181 276 A CA 1.617 53.857 52.037 0.339 0.000 0.623 276 A CB -1.105 18.058 19.000 0.271 0.000 0.818 276 A HN 0.340 nan 8.150 nan 0.000 0.443 277 L N -1.533 119.791 121.223 0.167 0.000 2.056 277 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 277 L C 2.302 179.241 176.870 0.114 0.000 1.078 277 L CA 2.357 57.254 54.840 0.095 0.000 0.749 277 L CB -0.931 41.184 42.059 0.092 0.000 0.901 277 L HN 0.546 nan 8.230 nan 0.000 0.433 278 Y N -0.596 119.665 120.300 -0.065 0.000 2.097 278 Y HA -0.321 4.228 4.550 -0.000 0.000 0.282 278 Y C 2.123 177.796 175.900 -0.380 0.000 1.152 278 Y CA 2.118 59.932 58.100 -0.476 0.000 1.136 278 Y CB -0.640 37.293 38.460 -0.878 0.000 0.975 278 Y HN 0.196 nan 8.280 nan 0.000 0.498 279 F N -0.098 119.646 119.950 -0.344 0.000 2.186 279 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 279 F C 2.273 177.727 175.800 -0.576 0.000 1.090 279 F CA 1.337 58.907 58.000 -0.718 0.000 1.307 279 F CB -0.879 37.318 39.000 -1.338 0.000 1.019 279 F HN 0.078 nan 8.300 nan 0.000 0.489 280 L N -1.059 120.078 121.223 -0.143 0.000 2.017 280 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 280 L C 2.442 179.310 176.870 -0.003 0.000 1.073 280 L CA 0.830 55.675 54.840 0.009 0.000 0.745 280 L CB -0.758 41.342 42.059 0.069 0.000 0.894 280 L HN -0.075 nan 8.230 nan 0.000 0.432 281 V N -0.323 119.564 119.914 -0.045 0.000 2.759 281 V HA -0.191 3.929 4.120 -0.000 0.000 0.256 281 V C 2.257 178.311 176.094 -0.067 0.000 1.080 281 V CA 1.395 63.695 62.300 0.000 0.000 1.101 281 V CB -0.372 31.504 31.823 0.089 0.000 0.698 281 V HN 0.352 nan 8.190 nan 0.000 0.477 282 K N 0.002 120.280 120.400 -0.202 0.000 2.379 282 K HA 0.173 4.493 4.320 -0.000 0.000 0.194 282 K C 0.416 176.975 176.600 -0.068 0.000 1.031 282 K CA 0.254 56.418 56.287 -0.205 0.000 1.037 282 K CB 0.057 32.297 32.500 -0.434 0.000 0.824 282 K HN 0.434 nan 8.250 nan 0.000 0.516 283 N N 1.403 120.098 118.700 -0.008 0.000 2.804 283 N HA 0.150 4.890 4.740 -0.000 0.000 0.251 283 N C -2.403 173.161 175.510 0.090 0.000 1.250 283 N CA -1.219 51.887 53.050 0.093 0.000 0.820 283 N CB 1.783 40.413 38.487 0.238 0.000 1.156 283 N HN -0.196 nan 8.380 nan 0.000 0.512 284 P HA -0.196 nan 4.420 nan 0.000 0.218 284 P C 1.188 178.474 177.300 -0.023 0.000 1.154 284 P CA 1.433 64.500 63.100 -0.054 0.000 0.872 284 P CB 0.225 31.818 31.700 -0.179 0.000 0.790 285 H N -1.434 117.701 119.070 0.109 0.000 2.389 285 H HA -0.022 4.534 4.556 -0.000 0.000 0.299 285 H C 1.966 177.371 175.328 0.128 0.000 1.081 285 H CA 1.056 57.162 56.048 0.097 0.000 1.345 285 H CB -0.897 28.914 29.762 0.081 0.000 1.393 285 H HN 0.020 nan 8.280 nan 0.000 0.520 286 V N 1.316 121.415 119.914 0.308 0.000 2.323 286 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 286 V C 2.676 178.974 176.094 0.339 0.000 1.041 286 V CA 1.235 63.761 62.300 0.377 0.000 1.025 286 V CB -0.697 31.427 31.823 0.503 0.000 0.656 286 V HN 0.198 nan 8.190 nan 0.000 0.451 287 L N 0.305 121.683 121.223 0.258 0.000 2.042 287 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 287 L C 2.422 179.403 176.870 0.185 0.000 1.076 287 L CA 2.257 57.227 54.840 0.217 0.000 0.749 287 L CB -0.881 41.279 42.059 0.167 0.000 0.893 287 L HN 0.400 nan 8.230 nan 0.000 0.432 288 Q N -0.923 118.966 119.800 0.148 0.000 2.124 288 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 288 Q C 2.172 178.213 176.000 0.070 0.000 0.977 288 Q CA 1.715 57.583 55.803 0.108 0.000 0.850 288 Q CB 0.053 28.855 28.738 0.107 0.000 0.901 288 Q HN 0.401 nan 8.270 nan 0.000 0.429 289 K N -0.032 120.390 120.400 0.036 0.000 2.057 289 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 289 K C 1.793 178.353 176.600 -0.066 0.000 1.050 289 K CA 1.289 57.489 56.287 -0.145 0.000 0.935 289 K CB -0.307 31.902 32.500 -0.484 0.000 0.715 289 K HN 0.295 nan 8.250 nan 0.000 0.439 290 A N 0.621 123.544 122.820 0.171 0.000 1.873 290 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 290 A C 2.328 180.022 177.584 0.183 0.000 1.186 290 A CA 1.927 54.147 52.037 0.305 0.000 0.616 290 A CB -0.993 18.234 19.000 0.378 0.000 0.823 290 A HN 0.316 nan 8.150 nan 0.000 0.442 291 A N -0.145 122.770 122.820 0.159 0.000 1.940 291 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 291 A C 1.912 179.544 177.584 0.080 0.000 1.176 291 A CA 1.725 53.841 52.037 0.132 0.000 0.631 291 A CB -0.524 18.558 19.000 0.138 0.000 0.814 291 A HN 0.661 nan 8.150 nan 0.000 0.446 292 E N -0.766 119.468 120.200 0.056 0.000 2.072 292 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 292 E C 2.068 178.683 176.600 0.024 0.000 0.985 292 E CA 1.113 57.528 56.400 0.025 0.000 0.801 292 E CB -0.137 29.565 29.700 0.003 0.000 0.750 292 E HN 0.835 nan 8.360 nan 0.000 0.452 293 E N 0.954 121.177 120.200 0.038 0.000 2.051 293 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 293 E C 2.091 178.722 176.600 0.052 0.000 0.991 293 E CA 1.039 57.469 56.400 0.049 0.000 0.799 293 E CB -0.077 29.679 29.700 0.094 0.000 0.748 293 E HN 0.199 nan 8.360 nan 0.000 0.449 294 A N 1.360 124.222 122.820 0.070 0.000 1.873 294 A HA -0.189 4.130 4.320 -0.000 0.000 0.218 294 A C 2.450 180.045 177.584 0.018 0.000 1.193 294 A CA 2.262 54.333 52.037 0.056 0.000 0.629 294 A CB -1.036 18.015 19.000 0.084 0.000 0.826 294 A HN 0.448 nan 8.150 nan 0.000 0.447 295 A N -0.627 122.199 122.820 0.009 0.000 1.933 295 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 295 A C 2.249 179.824 177.584 -0.015 0.000 1.175 295 A CA 1.776 53.800 52.037 -0.021 0.000 0.628 295 A CB -0.458 18.531 19.000 -0.020 0.000 0.814 295 A HN 0.596 nan 8.150 nan 0.000 0.444 296 R N -0.630 119.870 120.500 -0.001 0.000 2.090 296 R HA -0.032 4.308 4.340 -0.000 0.000 0.228 296 R C 1.656 177.957 176.300 0.001 0.000 1.110 296 R CA 1.681 57.780 56.100 -0.000 0.000 0.973 296 R CB -0.167 30.136 30.300 0.004 0.000 0.869 296 R HN 0.308 nan 8.270 nan 0.000 0.440 297 V N 1.062 120.980 119.914 0.007 0.000 2.374 297 V HA -0.019 4.101 4.120 -0.000 0.000 0.241 297 V C 1.354 177.450 176.094 0.003 0.000 1.034 297 V CA 0.742 63.046 62.300 0.007 0.000 1.037 297 V CB -0.105 31.726 31.823 0.013 0.000 0.682 297 V HN 0.218 nan 8.190 nan 0.000 0.463 298 L N 2.675 123.899 121.223 0.002 0.000 2.436 298 L HA 0.058 4.398 4.340 -0.000 0.000 0.244 298 L C 1.335 178.198 176.870 -0.013 0.000 1.396 298 L CA -0.020 54.821 54.840 0.002 0.000 1.217 298 L CB -0.116 41.945 42.059 0.004 0.000 1.420 298 L HN 0.349 nan 8.230 nan 0.000 0.434 299 V N -3.908 116.003 119.914 -0.005 0.000 3.573 299 V HA 0.115 4.235 4.120 -0.000 0.000 0.270 299 V C 0.512 176.605 176.094 -0.002 0.000 1.221 299 V CA 0.376 62.670 62.300 -0.010 0.000 1.163 299 V CB -0.441 31.379 31.823 -0.006 0.000 0.847 299 V HN 0.398 nan 8.190 nan 0.000 0.468 300 D N 0.670 121.076 120.400 0.011 0.000 2.269 300 D HA 0.406 5.046 4.640 -0.000 0.000 0.244 300 D C -1.979 174.342 176.300 0.034 0.000 0.992 300 D CA -1.887 52.127 54.000 0.022 0.000 0.894 300 D CB 1.881 42.701 40.800 0.033 0.000 1.248 300 D HN -0.034 nan 8.370 nan 0.000 0.468 301 P HA -0.094 nan 4.420 nan 0.000 0.218 301 P C 0.040 177.383 177.300 0.072 0.000 1.146 301 P CA 0.916 64.050 63.100 0.057 0.000 0.813 301 P CB 0.476 32.198 31.700 0.036 0.000 0.778 302 V N -0.472 119.480 119.914 0.063 0.000 2.686 302 V HA 0.321 4.441 4.120 -0.000 0.000 0.306 302 V C -2.473 173.678 176.094 0.096 0.000 1.065 302 V CA -2.109 60.233 62.300 0.070 0.000 0.894 302 V CB 2.222 34.076 31.823 0.052 0.000 1.004 302 V HN -0.172 nan 8.190 nan 0.000 0.424 303 P HA 0.193 nan 4.420 nan 0.000 0.268 303 P C -0.395 177.065 177.300 0.268 0.000 1.204 303 P CA 0.190 63.381 63.100 0.153 0.000 0.768 303 P CB 0.497 32.288 31.700 0.152 0.000 0.842 304 S N 2.330 118.115 115.700 0.142 0.000 2.693 304 S HA 0.208 4.678 4.470 -0.000 0.000 0.276 304 S C 0.837 175.322 174.600 -0.192 0.000 1.192 304 S CA -0.404 57.834 58.200 0.063 0.000 0.994 304 S CB 0.379 63.599 63.200 0.035 0.000 1.012 304 S HN 0.482 nan 8.310 nan 0.000 0.550 305 Y N 1.680 121.644 120.300 -0.562 0.000 2.181 305 Y HA -0.053 4.497 4.550 -0.000 0.000 0.288 305 Y C 2.079 177.885 175.900 -0.156 0.000 1.146 305 Y CA 1.826 59.596 58.100 -0.550 0.000 1.164 305 Y CB -0.255 37.953 38.460 -0.420 0.000 0.982 305 Y HN 0.580 nan 8.280 nan 0.000 0.515 306 K N 0.524 120.856 120.400 -0.113 0.000 2.032 306 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 306 K C 2.033 178.543 176.600 -0.150 0.000 1.048 306 K CA 2.039 58.251 56.287 -0.125 0.000 0.927 306 K CB -0.646 31.854 32.500 0.000 0.000 0.712 306 K HN 0.557 nan 8.250 nan 0.000 0.441 307 Q N 0.457 120.202 119.800 -0.092 0.000 2.135 307 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 307 Q C 2.137 178.090 176.000 -0.079 0.000 0.981 307 Q CA 1.293 57.062 55.803 -0.058 0.000 0.856 307 Q CB -0.168 28.561 28.738 -0.015 0.000 0.902 307 Q HN 0.043 nan 8.270 nan 0.000 0.425 308 V N 1.074 120.913 119.914 -0.124 0.000 2.490 308 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 308 V C 1.831 177.838 176.094 -0.146 0.000 1.061 308 V CA 1.723 63.940 62.300 -0.139 0.000 1.064 308 V CB -0.353 31.336 31.823 -0.223 0.000 0.670 308 V HN 0.287 nan 8.190 nan 0.000 0.461 309 K N -0.400 119.879 120.400 -0.201 0.000 2.365 309 K HA -0.076 4.244 4.320 -0.000 0.000 0.199 309 K C 1.966 178.526 176.600 -0.067 0.000 1.045 309 K CA 0.698 56.897 56.287 -0.147 0.000 0.962 309 K CB -0.050 32.319 32.500 -0.219 0.000 0.759 309 K HN 0.549 nan 8.250 nan 0.000 0.469 310 Q N 0.329 120.095 119.800 -0.055 0.000 2.403 310 Q HA 0.091 4.431 4.340 -0.000 0.000 0.203 310 Q C 0.007 176.013 176.000 0.009 0.000 0.932 310 Q CA 0.146 55.939 55.803 -0.016 0.000 0.945 310 Q CB 0.312 29.042 28.738 -0.013 0.000 1.045 310 Q HN 0.236 nan 8.270 nan 0.000 0.511 311 L N 1.521 122.747 121.223 0.006 0.000 2.437 311 L HA 0.084 4.424 4.340 -0.000 0.000 0.243 311 L C 0.859 177.762 176.870 0.054 0.000 1.346 311 L CA -0.420 54.444 54.840 0.039 0.000 1.233 311 L CB 0.026 42.104 42.059 0.031 0.000 1.436 311 L HN -0.062 nan 8.230 nan 0.000 0.416 312 K N 0.618 121.060 120.400 0.070 0.000 2.009 312 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 312 K C 1.756 178.415 176.600 0.098 0.000 1.049 312 K CA 1.666 58.000 56.287 0.078 0.000 0.929 312 K CB -0.423 32.128 32.500 0.086 0.000 0.714 312 K HN 0.368 nan 8.250 nan 0.000 0.440 313 Y N 0.714 121.034 120.300 0.033 0.000 2.181 313 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 313 Y C 1.874 177.805 175.900 0.052 0.000 1.146 313 Y CA 1.098 59.222 58.100 0.041 0.000 1.164 313 Y CB -0.164 38.323 38.460 0.045 0.000 0.982 313 Y HN -0.184 nan 8.280 nan 0.000 0.515 314 V N -0.203 119.761 119.914 0.084 0.000 2.392 314 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 314 V C 2.585 178.660 176.094 -0.031 0.000 1.059 314 V CA 1.851 64.175 62.300 0.040 0.000 1.051 314 V CB -1.581 30.297 31.823 0.091 0.000 0.658 314 V HN 0.613 nan 8.190 nan 0.000 0.455 315 G N -0.565 108.218 108.800 -0.028 0.000 2.421 315 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 315 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 315 G C 1.616 176.442 174.900 -0.122 0.000 1.171 315 G CA 1.095 46.173 45.100 -0.036 0.000 0.775 315 G HN 0.437 nan 8.290 nan 0.000 0.543 316 M N 0.107 119.592 119.600 -0.193 0.000 2.159 316 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 316 M C 2.644 178.728 176.300 -0.360 0.000 1.063 316 M CA 0.838 55.965 55.300 -0.288 0.000 1.110 316 M CB -0.277 32.141 32.600 -0.304 0.000 1.374 316 M HN 0.128 nan 8.290 nan 0.000 0.411 317 V N 0.273 119.996 119.914 -0.318 0.000 2.307 317 V HA -0.244 3.875 4.120 -0.000 0.000 0.245 317 V C 2.341 178.456 176.094 0.035 0.000 1.045 317 V CA 1.265 63.503 62.300 -0.102 0.000 1.024 317 V CB -0.658 31.190 31.823 0.043 0.000 0.651 317 V HN 0.356 nan 8.190 nan 0.000 0.449 318 L N 0.384 121.611 121.223 0.007 0.000 2.046 318 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 318 L C 2.167 179.027 176.870 -0.018 0.000 1.077 318 L CA 1.947 56.825 54.840 0.063 0.000 0.747 318 L CB -1.971 40.138 42.059 0.082 0.000 0.896 318 L HN 0.441 nan 8.230 nan 0.000 0.432 319 N N -0.566 118.005 118.700 -0.215 0.000 2.120 319 N HA -0.232 4.508 4.740 -0.000 0.000 0.188 319 N C 1.753 176.886 175.510 -0.628 0.000 1.024 319 N CA 1.041 53.807 53.050 -0.474 0.000 0.852 319 N CB 0.007 37.835 38.487 -1.099 0.000 1.003 319 N HN 0.252 nan 8.380 nan 0.000 0.424 320 E N 1.061 120.911 120.200 -0.584 0.000 2.110 320 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 320 E C 1.742 178.278 176.600 -0.105 0.000 0.988 320 E CA 1.197 57.394 56.400 -0.339 0.000 0.804 320 E CB -0.225 29.174 29.700 -0.501 0.000 0.745 320 E HN 0.372 nan 8.360 nan 0.000 0.458 321 A N 0.034 122.921 122.820 0.111 0.000 1.930 321 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 321 A C 2.041 179.710 177.584 0.142 0.000 1.175 321 A CA 1.127 53.306 52.037 0.237 0.000 0.627 321 A CB -0.533 18.719 19.000 0.421 0.000 0.815 321 A HN 0.331 nan 8.150 nan 0.000 0.443 322 L N -0.235 121.042 121.223 0.090 0.000 2.141 322 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 322 L C 2.449 179.375 176.870 0.092 0.000 1.094 322 L CA 1.851 56.736 54.840 0.075 0.000 0.763 322 L CB -0.856 41.234 42.059 0.052 0.000 0.908 322 L HN 0.508 nan 8.230 nan 0.000 0.437 323 R N -0.742 119.786 120.500 0.045 0.000 2.061 323 R HA -0.147 4.193 4.340 -0.000 0.000 0.230 323 R C 2.349 178.571 176.300 -0.129 0.000 1.140 323 R CA 1.539 57.545 56.100 -0.157 0.000 0.940 323 R CB -0.362 29.701 30.300 -0.395 0.000 0.839 323 R HN 0.279 nan 8.270 nan 0.000 0.429 324 L N -1.065 120.019 121.223 -0.233 0.000 2.046 324 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 324 L C 0.449 176.938 176.870 -0.635 0.000 1.077 324 L CA 1.243 55.831 54.840 -0.421 0.000 0.747 324 L CB -0.081 41.745 42.059 -0.389 0.000 0.896 324 L HN 0.297 nan 8.230 nan 0.000 0.432 325 W N -0.164 121.059 121.300 -0.128 0.000 2.330 325 W HA 0.270 4.930 4.660 -0.000 0.000 0.286 325 W C -2.252 174.140 176.519 -0.213 0.000 1.019 325 W CA -1.727 55.441 57.345 -0.295 0.000 1.485 325 W CB 0.658 29.609 29.460 -0.848 0.000 1.457 325 W HN -0.205 nan 8.180 nan 0.000 0.359 326 P HA -0.024 nan 4.420 nan 0.000 0.266 326 P C 1.118 178.475 177.300 0.095 0.000 1.215 326 P CA 0.687 63.824 63.100 0.062 0.000 0.763 326 P CB 1.301 33.010 31.700 0.015 0.000 0.806 327 T N 0.687 115.303 114.554 0.104 0.000 2.929 327 T HA -0.060 4.290 4.350 -0.000 0.000 0.271 327 T C 1.033 175.797 174.700 0.106 0.000 1.085 327 T CA 0.796 62.987 62.100 0.151 0.000 1.125 327 T CB -0.226 68.753 68.868 0.185 0.000 0.874 327 T HN 0.477 nan 8.240 nan 0.000 0.494 328 A N 3.058 125.919 122.820 0.070 0.000 2.654 328 A HA 0.575 4.895 4.320 -0.000 0.000 0.345 328 A C -1.190 176.448 177.584 0.091 0.000 1.368 328 A CA -1.727 50.364 52.037 0.091 0.000 0.895 328 A CB 0.895 19.950 19.000 0.092 0.000 1.143 328 A HN 0.233 nan 8.150 nan 0.000 0.490 329 P HA 0.090 nan 4.420 nan 0.000 0.234 329 P C 0.326 177.663 177.300 0.063 0.000 1.167 329 P CA 1.439 64.584 63.100 0.075 0.000 0.763 329 P CB 0.274 32.030 31.700 0.093 0.000 0.835 330 A N -0.322 122.565 122.820 0.111 0.000 2.612 330 A HA 0.666 4.986 4.320 -0.000 0.000 0.293 330 A C -1.627 176.084 177.584 0.210 0.000 1.075 330 A CA -0.687 51.398 52.037 0.080 0.000 0.680 330 A CB 0.738 19.748 19.000 0.016 0.000 1.279 330 A HN 0.073 nan 8.150 nan 0.000 0.411 331 F N -0.505 119.412 119.950 -0.055 0.000 2.608 331 F HA 0.827 5.354 4.527 -0.000 0.000 0.309 331 F C -0.324 175.408 175.800 -0.113 0.000 1.103 331 F CA -0.682 57.273 58.000 -0.075 0.000 0.954 331 F CB 1.339 40.308 39.000 -0.050 0.000 1.267 331 F HN 0.604 nan 8.300 nan 0.000 0.444 332 S N 3.021 118.728 115.700 0.012 0.000 2.617 332 S HA 0.895 5.365 4.470 -0.000 0.000 0.283 332 S C -1.021 173.578 174.600 -0.001 0.000 1.189 332 S CA -0.430 57.717 58.200 -0.088 0.000 1.036 332 S CB 0.894 64.037 63.200 -0.095 0.000 1.014 332 S HN 0.704 nan 8.310 nan 0.000 0.522 333 L N 3.248 124.449 121.223 -0.037 0.000 2.424 333 L HA 0.606 4.946 4.340 -0.000 0.000 0.258 333 L C -1.427 175.518 176.870 0.125 0.000 0.995 333 L CA -1.076 53.778 54.840 0.023 0.000 0.821 333 L CB 2.123 44.136 42.059 -0.078 0.000 1.383 333 L HN 0.844 nan 8.230 nan 0.000 0.410 334 Y N 0.272 120.661 120.300 0.148 0.000 2.545 334 Y HA 0.871 5.421 4.550 -0.000 0.000 0.348 334 Y C -0.378 175.650 175.900 0.213 0.000 1.002 334 Y CA -1.441 56.752 58.100 0.154 0.000 1.039 334 Y CB 1.544 40.073 38.460 0.116 0.000 1.271 334 Y HN 0.561 nan 8.280 nan 0.000 0.467 335 A N 3.734 126.697 122.820 0.238 0.000 2.396 335 A HA 0.288 4.608 4.320 -0.000 0.000 0.279 335 A C 0.626 178.163 177.584 -0.078 0.000 1.165 335 A CA -0.641 51.334 52.037 -0.103 0.000 0.824 335 A CB 0.180 19.151 19.000 -0.049 0.000 1.100 335 A HN 0.983 nan 8.150 nan 0.000 0.516 336 K N 1.019 121.248 120.400 -0.285 0.000 2.147 336 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 336 K C 0.830 177.369 176.600 -0.101 0.000 1.049 336 K CA 1.591 57.801 56.287 -0.128 0.000 0.936 336 K CB 0.149 32.522 32.500 -0.211 0.000 0.722 336 K HN 0.915 nan 8.250 nan 0.000 0.446 337 E N 0.950 121.045 120.200 -0.175 0.000 2.449 337 E HA 0.143 4.492 4.350 -0.000 0.000 0.278 337 E C -1.597 174.923 176.600 -0.132 0.000 0.992 337 E CA -0.732 55.593 56.400 -0.126 0.000 0.807 337 E CB 0.939 30.567 29.700 -0.120 0.000 1.350 337 E HN -0.166 nan 8.360 nan 0.000 0.462 338 D N 0.387 120.739 120.400 -0.081 0.000 2.423 338 D HA 0.402 5.042 4.640 -0.000 0.000 0.238 338 D C -0.282 175.977 176.300 -0.068 0.000 1.142 338 D CA 1.221 55.188 54.000 -0.055 0.000 0.884 338 D CB 0.922 41.703 40.800 -0.032 0.000 1.199 338 D HN 0.443 nan 8.370 nan 0.000 0.438 339 T N -0.637 113.894 114.554 -0.038 0.000 2.686 339 T HA 0.473 4.823 4.350 -0.000 0.000 0.308 339 T C -1.898 172.828 174.700 0.043 0.000 1.667 339 T CA -0.790 61.297 62.100 -0.022 0.000 0.987 339 T CB 0.616 69.433 68.868 -0.086 0.000 1.652 339 T HN 0.234 nan 8.240 nan 0.000 0.496 340 V N 1.316 121.267 119.914 0.062 0.000 2.555 340 V HA 0.904 5.024 4.120 -0.000 0.000 0.302 340 V C -0.939 175.237 176.094 0.138 0.000 1.038 340 V CA -0.939 61.416 62.300 0.092 0.000 0.887 340 V CB 1.378 33.231 31.823 0.050 0.000 0.991 340 V HN 0.772 nan 8.190 nan 0.000 0.434 341 L N 5.462 126.797 121.223 0.187 0.000 2.275 341 L HA 0.801 5.141 4.340 -0.000 0.000 0.288 341 L C 1.208 178.206 176.870 0.214 0.000 1.046 341 L CA 1.633 56.591 54.840 0.197 0.000 0.805 341 L CB 0.758 42.920 42.059 0.171 0.000 1.193 341 L HN 1.329 nan 8.230 nan 0.000 0.426 342 G N 3.334 112.220 108.800 0.143 0.000 2.258 342 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.274 342 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.274 342 G C 0.986 175.929 174.900 0.072 0.000 1.021 342 G CA 0.620 45.793 45.100 0.122 0.000 0.798 342 G HN 1.803 nan 8.290 nan 0.000 0.507 343 G N -1.306 107.527 108.800 0.055 0.000 2.233 343 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.270 343 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.270 343 G C 0.689 175.558 174.900 -0.051 0.000 1.011 343 G CA 1.652 46.757 45.100 0.009 0.000 0.762 343 G HN 0.838 nan 8.290 nan 0.000 0.511 344 E N -2.129 118.013 120.200 -0.097 0.000 2.717 344 E HA 0.156 4.506 4.350 -0.000 0.000 0.204 344 E C -0.257 176.084 176.600 -0.432 0.000 0.911 344 E CA -0.116 56.074 56.400 -0.350 0.000 1.370 344 E CB 0.555 29.850 29.700 -0.675 0.000 1.315 344 E HN 0.473 nan 8.360 nan 0.000 0.643 345 Y N 2.247 122.561 120.300 0.022 0.000 2.404 345 Y HA 0.332 4.882 4.550 -0.000 0.000 0.344 345 Y C -2.402 173.517 175.900 0.031 0.000 0.970 345 Y CA -2.938 55.176 58.100 0.024 0.000 1.180 345 Y CB 0.586 39.058 38.460 0.021 0.000 1.138 345 Y HN -0.072 nan 8.280 nan 0.000 0.510 346 P HA 0.242 nan 4.420 nan 0.000 0.281 346 P C -0.788 176.573 177.300 0.102 0.000 1.252 346 P CA -0.079 63.073 63.100 0.088 0.000 0.778 346 P CB 0.881 32.609 31.700 0.047 0.000 0.895 347 L N 2.703 123.982 121.223 0.093 0.000 2.365 347 L HA 0.442 4.782 4.340 -0.000 0.000 0.273 347 L C 0.607 177.507 176.870 0.050 0.000 1.000 347 L CA -0.712 54.182 54.840 0.091 0.000 0.819 347 L CB 1.978 44.127 42.059 0.150 0.000 1.284 347 L HN 0.271 nan 8.230 nan 0.000 0.418 348 E N 1.751 121.977 120.200 0.043 0.000 2.250 348 E HA 0.230 4.580 4.350 -0.000 0.000 0.265 348 E C -0.709 175.901 176.600 0.018 0.000 1.033 348 E CA -0.960 55.452 56.400 0.019 0.000 0.888 348 E CB 1.901 31.611 29.700 0.016 0.000 1.151 348 E HN 0.323 nan 8.360 nan 0.000 0.412 349 K N 0.367 120.765 120.400 -0.003 0.000 2.472 349 K HA -0.035 4.285 4.320 -0.000 0.000 0.280 349 K C 0.623 177.239 176.600 0.027 0.000 1.028 349 K CA 1.184 57.470 56.287 -0.001 0.000 1.045 349 K CB -0.078 32.408 32.500 -0.023 0.000 0.902 349 K HN 0.769 nan 8.250 nan 0.000 0.478 350 G N 3.193 112.048 108.800 0.093 0.000 2.179 350 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 350 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 350 G C -0.428 174.538 174.900 0.109 0.000 0.977 350 G CA 0.239 45.396 45.100 0.095 0.000 0.641 350 G HN 0.741 nan 8.290 nan 0.000 0.533 351 D N 0.852 121.320 120.400 0.113 0.000 2.424 351 D HA 0.425 5.065 4.640 -0.000 0.000 0.244 351 D C 0.559 176.934 176.300 0.125 0.000 1.134 351 D CA 0.189 54.245 54.000 0.093 0.000 0.881 351 D CB 0.940 41.789 40.800 0.083 0.000 1.191 351 D HN 0.522 nan 8.370 nan 0.000 0.445 352 E N 2.351 122.586 120.200 0.058 0.000 2.249 352 E HA 0.372 4.722 4.350 -0.000 0.000 0.280 352 E C -1.031 175.512 176.600 -0.094 0.000 1.016 352 E CA -0.581 55.830 56.400 0.020 0.000 0.830 352 E CB 0.635 30.324 29.700 -0.018 0.000 1.081 352 E HN 0.353 nan 8.360 nan 0.000 0.395 353 L N 4.701 125.839 121.223 -0.143 0.000 2.362 353 L HA 0.461 4.801 4.340 -0.000 0.000 0.275 353 L C -0.485 176.160 176.870 -0.375 0.000 0.998 353 L CA -1.020 53.647 54.840 -0.288 0.000 0.820 353 L CB 1.690 43.561 42.059 -0.313 0.000 1.270 353 L HN 0.615 nan 8.230 nan 0.000 0.415 354 M N 3.907 123.183 119.600 -0.539 0.000 2.072 354 M HA 0.375 4.854 4.480 -0.000 0.000 0.331 354 M C -1.016 174.993 176.300 -0.486 0.000 1.004 354 M CA -0.358 54.609 55.300 -0.555 0.000 0.952 354 M CB 1.373 33.465 32.600 -0.847 0.000 1.511 354 M HN 0.240 nan 8.290 nan 0.000 0.422 355 V N 6.319 125.893 119.914 -0.567 0.000 2.439 355 V HA 0.155 4.275 4.120 -0.000 0.000 0.271 355 V C -0.171 175.696 176.094 -0.378 0.000 1.040 355 V CA -0.536 61.413 62.300 -0.586 0.000 1.002 355 V CB 0.516 31.701 31.823 -1.063 0.000 1.000 355 V HN 0.667 nan 8.190 nan 0.000 0.477 356 L N 7.032 128.128 121.223 -0.212 0.000 2.328 356 L HA 0.375 4.715 4.340 -0.000 0.000 0.280 356 L C 1.070 177.850 176.870 -0.150 0.000 1.111 356 L CA 0.563 55.337 54.840 -0.109 0.000 0.909 356 L CB 0.196 42.234 42.059 -0.035 0.000 1.277 356 L HN 0.558 nan 8.230 nan 0.000 0.433 357 I N 4.727 125.195 120.570 -0.169 0.000 2.163 357 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 357 I C -0.517 175.367 176.117 -0.387 0.000 1.085 357 I CA 1.164 62.296 61.300 -0.280 0.000 1.347 357 I CB -1.258 36.614 38.000 -0.214 0.000 1.044 357 I HN 0.505 nan 8.210 nan 0.000 0.408 358 P HA -0.181 nan 4.420 nan 0.000 0.216 358 P C 1.618 178.806 177.300 -0.187 0.000 1.150 358 P CA 1.292 64.264 63.100 -0.213 0.000 0.843 358 P CB -0.046 31.581 31.700 -0.121 0.000 0.787 359 Q N -1.095 118.632 119.800 -0.123 0.000 2.172 359 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 359 Q C 2.097 178.083 176.000 -0.024 0.000 0.964 359 Q CA 0.923 56.689 55.803 -0.061 0.000 0.855 359 Q CB -1.177 27.549 28.738 -0.021 0.000 0.918 359 Q HN 0.243 nan 8.270 nan 0.000 0.444 360 L N 0.570 121.754 121.223 -0.065 0.000 2.046 360 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 360 L C 1.826 178.849 176.870 0.255 0.000 1.077 360 L CA 1.872 56.740 54.840 0.046 0.000 0.747 360 L CB -0.595 41.448 42.059 -0.026 0.000 0.896 360 L HN 0.187 nan 8.230 nan 0.000 0.432 361 H N -0.275 118.838 119.070 0.071 0.000 2.546 361 H HA 0.088 4.644 4.556 -0.000 0.000 0.277 361 H C 1.581 176.751 175.328 -0.264 0.000 1.004 361 H CA 0.715 56.706 56.048 -0.095 0.000 1.231 361 H CB -0.147 29.489 29.762 -0.210 0.000 1.382 361 H HN 0.384 nan 8.280 nan 0.000 0.580 362 R N 0.491 121.015 120.500 0.040 0.000 2.468 362 R HA 0.043 4.383 4.340 -0.000 0.000 0.280 362 R C -0.193 176.194 176.300 0.145 0.000 0.963 362 R CA -0.171 55.938 56.100 0.015 0.000 1.083 362 R CB 0.420 30.687 30.300 -0.055 0.000 1.200 362 R HN 0.052 nan 8.270 nan 0.000 0.541 363 D N 1.342 121.918 120.400 0.292 0.000 2.367 363 D HA -0.008 4.632 4.640 -0.000 0.000 0.255 363 D C 0.603 177.041 176.300 0.229 0.000 1.300 363 D CA 0.371 54.512 54.000 0.235 0.000 0.959 363 D CB 0.685 41.619 40.800 0.223 0.000 1.064 363 D HN -0.042 nan 8.370 nan 0.000 0.509 364 K N 1.282 121.765 120.400 0.139 0.000 2.160 364 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 364 K C 1.675 178.307 176.600 0.053 0.000 1.047 364 K CA 1.406 57.754 56.287 0.102 0.000 0.930 364 K CB 0.006 32.543 32.500 0.062 0.000 0.720 364 K HN 0.420 nan 8.250 nan 0.000 0.450 365 T N 1.061 115.635 114.554 0.033 0.000 2.881 365 T HA -0.076 4.274 4.350 -0.000 0.000 0.270 365 T C 1.640 176.296 174.700 -0.074 0.000 1.068 365 T CA 0.860 62.954 62.100 -0.011 0.000 1.131 365 T CB 0.062 68.929 68.868 -0.002 0.000 0.871 365 T HN 0.106 nan 8.240 nan 0.000 0.479 366 I N -1.765 118.732 120.570 -0.121 0.000 3.300 366 I HA 0.168 4.337 4.170 -0.000 0.000 0.279 366 I C 1.236 177.051 176.117 -0.504 0.000 1.172 366 I CA 0.462 61.546 61.300 -0.360 0.000 1.431 366 I CB -0.565 37.129 38.000 -0.510 0.000 1.240 366 I HN 0.341 nan 8.210 nan 0.000 0.453 367 W N 1.921 123.189 121.300 -0.053 0.000 3.278 367 W HA 0.451 5.111 4.660 -0.000 0.000 0.308 367 W C 1.352 177.820 176.519 -0.085 0.000 1.253 367 W CA 0.740 58.030 57.345 -0.090 0.000 1.759 367 W CB 0.078 29.488 29.460 -0.082 0.000 1.093 367 W HN 0.224 nan 8.180 nan 0.000 0.648 368 G N 0.978 109.827 108.800 0.082 0.000 2.698 368 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.225 368 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.225 368 G C 0.228 175.166 174.900 0.063 0.000 1.345 368 G CA -0.047 45.080 45.100 0.046 0.000 0.871 368 G HN 0.160 nan 8.290 nan 0.000 0.540 369 D N 0.501 120.924 120.400 0.037 0.000 2.333 369 D HA -0.007 4.633 4.640 -0.000 0.000 0.208 369 D C 1.227 177.546 176.300 0.031 0.000 0.984 369 D CA 1.117 55.137 54.000 0.033 0.000 0.873 369 D CB 0.063 40.876 40.800 0.022 0.000 0.935 369 D HN 0.563 nan 8.370 nan 0.000 0.521 370 D N 1.367 121.784 120.400 0.028 0.000 2.870 370 D HA -0.056 4.584 4.640 -0.000 0.000 0.241 370 D C 1.851 178.152 176.300 0.003 0.000 1.234 370 D CA -0.099 53.911 54.000 0.017 0.000 0.844 370 D CB -0.185 40.621 40.800 0.011 0.000 1.051 370 D HN 0.071 nan 8.370 nan 0.000 0.469 371 V N -1.785 118.135 119.914 0.008 0.000 2.469 371 V HA -0.206 3.914 4.120 -0.000 0.000 0.251 371 V C 1.634 177.672 176.094 -0.093 0.000 1.064 371 V CA 1.264 63.540 62.300 -0.039 0.000 1.066 371 V CB -0.518 31.298 31.823 -0.013 0.000 0.667 371 V HN 0.077 nan 8.190 nan 0.000 0.461 372 E N 0.289 120.461 120.200 -0.046 0.000 2.502 372 E HA 0.097 4.447 4.350 -0.000 0.000 0.194 372 E C 0.488 177.096 176.600 0.013 0.000 1.062 372 E CA 0.086 56.468 56.400 -0.031 0.000 0.867 372 E CB -0.029 29.677 29.700 0.010 0.000 0.888 372 E HN 0.716 nan 8.360 nan 0.000 0.510 373 E N 0.373 120.574 120.200 0.001 0.000 2.313 373 E HA 0.150 4.500 4.350 -0.000 0.000 0.272 373 E C -0.552 176.054 176.600 0.009 0.000 1.038 373 E CA -0.688 55.736 56.400 0.040 0.000 0.863 373 E CB 0.816 30.534 29.700 0.031 0.000 1.060 373 E HN -0.053 nan 8.360 nan 0.000 0.402 374 F N 2.818 122.711 119.950 -0.095 0.000 2.375 374 F HA 0.260 4.786 4.527 -0.000 0.000 0.362 374 F C 0.172 175.928 175.800 -0.074 0.000 1.129 374 F CA -0.430 57.456 58.000 -0.191 0.000 1.154 374 F CB 0.359 39.235 39.000 -0.207 0.000 1.205 374 F HN 0.205 nan 8.300 nan 0.000 0.513 375 R N 7.872 128.061 120.500 -0.519 0.000 2.545 375 R HA 0.349 4.689 4.340 -0.000 0.000 0.289 375 R C -2.428 173.625 176.300 -0.411 0.000 1.327 375 R CA -1.600 54.284 56.100 -0.360 0.000 1.040 375 R CB 1.259 31.470 30.300 -0.148 0.000 1.176 375 R HN 0.304 nan 8.270 nan 0.000 0.518 376 P HA -0.139 nan 4.420 nan 0.000 0.219 376 P C 0.198 177.435 177.300 -0.106 0.000 1.146 376 P CA 1.016 63.888 63.100 -0.381 0.000 0.808 376 P CB 0.399 31.759 31.700 -0.567 0.000 0.779 377 E N -0.430 119.750 120.200 -0.033 0.000 2.267 377 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 377 E C 1.881 178.465 176.600 -0.026 0.000 0.998 377 E CA 0.769 57.188 56.400 0.032 0.000 0.830 377 E CB -0.732 28.997 29.700 0.049 0.000 0.751 377 E HN 0.408 nan 8.360 nan 0.000 0.491 378 R N -0.310 120.134 120.500 -0.094 0.000 2.328 378 R HA -0.045 4.295 4.340 -0.000 0.000 0.207 378 R C 0.568 176.629 176.300 -0.399 0.000 1.056 378 R CA 0.893 56.862 56.100 -0.218 0.000 1.016 378 R CB -0.199 29.952 30.300 -0.248 0.000 0.872 378 R HN 0.128 nan 8.270 nan 0.000 0.471 379 F N 0.722 120.604 119.950 -0.113 0.000 2.654 379 F HA 0.295 4.821 4.527 -0.000 0.000 0.303 379 F C 1.749 177.506 175.800 -0.072 0.000 1.099 379 F CA -0.590 57.339 58.000 -0.118 0.000 1.270 379 F CB 0.500 39.384 39.000 -0.193 0.000 1.024 379 F HN 0.072 nan 8.300 nan 0.000 0.548 380 E N 0.952 121.183 120.200 0.053 0.000 2.097 380 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 380 E C 0.566 177.190 176.600 0.040 0.000 1.000 380 E CA 1.086 57.518 56.400 0.054 0.000 0.804 380 E CB 0.070 29.791 29.700 0.035 0.000 0.740 380 E HN 0.145 nan 8.360 nan 0.000 0.454 381 N N -0.571 118.133 118.700 0.008 0.000 2.682 381 N HA 0.168 4.908 4.740 -0.000 0.000 0.252 381 N C -2.387 173.119 175.510 -0.006 0.000 1.081 381 N CA -1.942 51.111 53.050 0.004 0.000 0.844 381 N CB 1.367 39.845 38.487 -0.015 0.000 1.167 381 N HN -0.168 nan 8.380 nan 0.000 0.523 382 P HA -0.077 nan 4.420 nan 0.000 0.217 382 P C 0.728 178.042 177.300 0.023 0.000 1.148 382 P CA 1.065 64.205 63.100 0.067 0.000 0.828 382 P CB 0.350 32.127 31.700 0.129 0.000 0.783 383 S N -0.816 114.893 115.700 0.014 0.000 2.547 383 S HA -0.016 4.454 4.470 -0.000 0.000 0.235 383 S C 1.796 176.375 174.600 -0.036 0.000 0.980 383 S CA 0.970 59.169 58.200 -0.002 0.000 0.941 383 S CB -0.631 62.572 63.200 0.004 0.000 0.763 383 S HN 0.185 nan 8.310 nan 0.000 0.532 384 A N 0.680 123.462 122.820 -0.063 0.000 2.238 384 A HA 0.348 4.668 4.320 -0.000 0.000 0.210 384 A C 0.686 178.178 177.584 -0.154 0.000 1.179 384 A CA -0.079 51.899 52.037 -0.098 0.000 0.827 384 A CB -0.152 18.786 19.000 -0.103 0.000 0.856 384 A HN 0.437 nan 8.150 nan 0.000 0.488 385 I N 1.657 122.133 120.570 -0.156 0.000 2.371 385 I HA 0.216 4.386 4.170 -0.000 0.000 0.290 385 I C -2.185 173.835 176.117 -0.163 0.000 1.028 385 I CA -1.985 59.175 61.300 -0.233 0.000 1.345 385 I CB 1.011 38.894 38.000 -0.195 0.000 1.407 385 I HN 0.048 nan 8.210 nan 0.000 0.501 386 P HA -0.002 nan 4.420 nan 0.000 0.268 386 P C -0.614 176.639 177.300 -0.078 0.000 1.208 386 P CA -0.343 62.674 63.100 -0.138 0.000 0.777 386 P CB 0.423 32.021 31.700 -0.170 0.000 0.875 387 Q N 1.247 120.995 119.800 -0.086 0.000 2.337 387 Q HA -0.004 4.336 4.340 -0.000 0.000 0.270 387 Q C -0.110 175.825 176.000 -0.108 0.000 1.002 387 Q CA 0.097 55.795 55.803 -0.174 0.000 0.888 387 Q CB -0.170 28.401 28.738 -0.278 0.000 1.222 387 Q HN 0.555 nan 8.270 nan 0.000 0.400 388 H N 0.472 119.618 119.070 0.126 0.000 2.992 388 H HA -0.274 4.282 4.556 -0.000 0.000 0.266 388 H C 0.407 175.847 175.328 0.185 0.000 1.200 388 H CA 0.348 56.485 56.048 0.148 0.000 1.135 388 H CB -1.345 28.478 29.762 0.101 0.000 1.282 388 H HN 0.650 nan 8.280 nan 0.000 0.351 389 A N 0.021 123.016 122.820 0.290 0.000 1.997 389 A HA 0.237 4.557 4.320 -0.000 0.000 0.212 389 A C 0.462 178.467 177.584 0.702 0.000 1.178 389 A CA 0.579 52.817 52.037 0.335 0.000 0.698 389 A CB 0.426 19.442 19.000 0.027 0.000 0.842 389 A HN 0.242 nan 8.150 nan 0.000 0.458 390 F N 1.367 121.602 119.950 0.474 0.000 2.430 390 F HA 0.476 5.003 4.527 -0.000 0.000 0.362 390 F C -0.283 175.790 175.800 0.454 0.000 1.103 390 F CA -1.210 57.100 58.000 0.517 0.000 1.045 390 F CB 1.142 40.419 39.000 0.461 0.000 1.276 390 F HN -0.097 nan 8.300 nan 0.000 0.444 391 K N 7.641 128.226 120.400 0.308 0.000 3.163 391 K HA 0.224 4.544 4.320 -0.000 0.000 0.186 391 K C -2.277 174.283 176.600 -0.067 0.000 1.111 391 K CA -1.216 55.132 56.287 0.102 0.000 0.918 391 K CB 0.964 33.621 32.500 0.262 0.000 1.059 391 K HN 0.342 nan 8.250 nan 0.000 0.558 392 P HA -0.064 nan 4.420 nan 0.000 0.229 392 P C 0.245 177.175 177.300 -0.618 0.000 1.160 392 P CA 0.723 63.520 63.100 -0.506 0.000 0.777 392 P CB 0.072 31.269 31.700 -0.838 0.000 0.814 393 F N 0.029 119.911 119.950 -0.113 0.000 2.708 393 F HA 0.478 5.005 4.527 -0.000 0.000 0.300 393 F C 1.647 177.332 175.800 -0.191 0.000 1.118 393 F CA 0.246 58.186 58.000 -0.100 0.000 1.307 393 F CB -0.064 38.903 39.000 -0.057 0.000 0.986 393 F HN 0.030 nan 8.300 nan 0.000 0.522 394 G N 1.304 109.949 108.800 -0.258 0.000 2.693 394 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 394 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 394 G C -0.858 173.802 174.900 -0.401 0.000 1.354 394 G CA -0.442 44.197 45.100 -0.768 0.000 0.873 394 G HN 0.469 nan 8.290 nan 0.000 0.562 395 N N 0.271 118.737 118.700 -0.391 0.000 2.229 395 N HA 0.544 5.284 4.740 -0.000 0.000 0.298 395 N C 0.908 176.416 175.510 -0.005 0.000 1.114 395 N CA 0.923 53.932 53.050 -0.068 0.000 0.776 395 N CB 1.659 40.170 38.487 0.040 0.000 1.501 395 N HN 2.387 nan 8.380 nan 0.000 0.474 396 G N 2.584 111.426 108.800 0.071 0.000 2.594 396 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.297 396 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.297 396 G C 0.717 175.676 174.900 0.097 0.000 1.273 396 G CA 0.915 46.065 45.100 0.085 0.000 0.974 396 G HN 0.832 nan 8.290 nan 0.000 0.552 397 Q N -0.302 119.556 119.800 0.096 0.000 2.439 397 Q HA 0.020 4.360 4.340 -0.000 0.000 0.211 397 Q C 1.820 177.946 176.000 0.211 0.000 0.978 397 Q CA 1.495 57.397 55.803 0.165 0.000 0.897 397 Q CB 0.024 28.828 28.738 0.111 0.000 0.956 397 Q HN 0.439 nan 8.270 nan 0.000 0.483 398 R N 0.528 121.073 120.500 0.075 0.000 2.466 398 R HA 0.400 4.740 4.340 -0.000 0.000 0.279 398 R C -0.012 176.318 176.300 0.050 0.000 0.976 398 R CA 0.371 56.506 56.100 0.058 0.000 1.081 398 R CB 0.311 30.552 30.300 -0.098 0.000 1.215 398 R HN 0.305 nan 8.270 nan 0.000 0.546 399 A N 0.435 123.297 122.820 0.069 0.000 2.313 399 A HA 0.102 4.422 4.320 -0.000 0.000 0.261 399 A C 0.255 177.884 177.584 0.076 0.000 1.090 399 A CA -0.445 51.612 52.037 0.033 0.000 0.807 399 A CB 0.439 19.472 19.000 0.055 0.000 1.055 399 A HN 0.439 nan 8.150 nan 0.000 0.492 400 C N 2.655 122.000 119.300 0.076 0.000 2.531 400 C HA 0.007 4.467 4.460 -0.000 0.000 0.401 400 C C 1.799 176.739 174.990 -0.083 0.000 1.473 400 C CA 0.417 59.464 59.018 0.048 0.000 1.472 400 C CB -2.283 25.558 27.740 0.167 0.000 2.429 400 C HN 0.772 nan 8.230 nan 0.000 0.620 401 I N 4.708 125.192 120.570 -0.143 0.000 2.493 401 I HA 0.030 4.200 4.170 -0.000 0.000 0.254 401 I C 1.982 177.732 176.117 -0.611 0.000 1.160 401 I CA 1.705 62.810 61.300 -0.325 0.000 1.445 401 I CB -0.066 37.713 38.000 -0.369 0.000 1.086 401 I HN 0.871 nan 8.210 nan 0.000 0.433 402 G N 0.214 108.663 108.800 -0.585 0.000 3.440 402 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.263 402 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.263 402 G C 1.077 175.892 174.900 -0.142 0.000 1.236 402 G CA -0.201 44.622 45.100 -0.462 0.000 0.927 402 G HN 0.466 nan 8.290 nan 0.000 0.530 403 Q N -0.367 119.269 119.800 -0.274 0.000 2.046 403 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 403 Q C 2.356 178.216 176.000 -0.235 0.000 0.975 403 Q CA 1.383 56.847 55.803 -0.564 0.000 0.836 403 Q CB 0.038 28.259 28.738 -0.862 0.000 0.896 403 Q HN 0.368 nan 8.270 nan 0.000 0.428 404 Q N -0.364 119.413 119.800 -0.038 0.000 2.167 404 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 404 Q C 1.534 177.669 176.000 0.224 0.000 0.970 404 Q CA 1.238 57.101 55.803 0.098 0.000 0.855 404 Q CB -0.305 28.513 28.738 0.133 0.000 0.911 404 Q HN 0.422 nan 8.270 nan 0.000 0.438 405 F N 0.293 120.328 119.950 0.143 0.000 2.084 405 F HA -0.150 4.377 4.527 -0.000 0.000 0.296 405 F C 1.967 177.875 175.800 0.179 0.000 1.111 405 F CA 1.345 59.462 58.000 0.195 0.000 1.224 405 F CB -0.561 38.567 39.000 0.215 0.000 0.991 405 F HN 0.073 nan 8.300 nan 0.000 0.471 406 A N 0.759 123.836 122.820 0.429 0.000 1.851 406 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 406 A C 2.292 180.024 177.584 0.247 0.000 1.195 406 A CA 2.097 54.339 52.037 0.341 0.000 0.622 406 A CB -1.347 17.849 19.000 0.326 0.000 0.831 406 A HN 0.484 nan 8.150 nan 0.000 0.444 407 L N -1.746 119.604 121.223 0.211 0.000 2.083 407 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 407 L C 2.642 179.606 176.870 0.157 0.000 1.083 407 L CA 1.804 56.755 54.840 0.185 0.000 0.752 407 L CB -0.675 41.479 42.059 0.159 0.000 0.899 407 L HN 0.668 nan 8.230 nan 0.000 0.433 408 H N -0.121 118.992 119.070 0.071 0.000 2.389 408 H HA -0.168 4.388 4.556 -0.000 0.000 0.299 408 H C 2.271 177.619 175.328 0.033 0.000 1.081 408 H CA 1.799 57.877 56.048 0.050 0.000 1.345 408 H CB 0.269 30.069 29.762 0.063 0.000 1.393 408 H HN 0.274 nan 8.280 nan 0.000 0.520 409 E N -0.152 120.086 120.200 0.063 0.000 2.028 409 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 409 E C 2.325 178.936 176.600 0.019 0.000 0.984 409 E CA 0.775 57.175 56.400 0.001 0.000 0.800 409 E CB -0.216 29.494 29.700 0.016 0.000 0.758 409 E HN 0.561 nan 8.360 nan 0.000 0.448 410 A N 0.379 123.246 122.820 0.079 0.000 1.940 410 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 410 A C 2.345 179.964 177.584 0.058 0.000 1.176 410 A CA 2.168 54.262 52.037 0.095 0.000 0.631 410 A CB -0.908 18.177 19.000 0.142 0.000 0.814 410 A HN 0.332 nan 8.150 nan 0.000 0.446 411 T N -0.154 114.411 114.554 0.019 0.000 2.857 411 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 411 T C 1.822 176.499 174.700 -0.039 0.000 1.048 411 T CA 1.298 63.394 62.100 -0.007 0.000 1.139 411 T CB -0.312 68.536 68.868 -0.034 0.000 0.874 411 T HN 0.363 nan 8.240 nan 0.000 0.455 412 L N 1.649 122.806 121.223 -0.110 0.000 1.976 412 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 412 L C 2.412 179.279 176.870 -0.007 0.000 1.071 412 L CA 1.680 56.466 54.840 -0.090 0.000 0.746 412 L CB -0.953 41.015 42.059 -0.152 0.000 0.890 412 L HN 0.062 nan 8.230 nan 0.000 0.432 413 V N -0.193 119.724 119.914 0.005 0.000 2.255 413 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 413 V C 2.677 178.822 176.094 0.086 0.000 1.051 413 V CA 2.116 64.437 62.300 0.036 0.000 1.018 413 V CB -0.716 31.127 31.823 0.034 0.000 0.641 413 V HN 0.487 nan 8.190 nan 0.000 0.445 414 L N 0.251 121.530 121.223 0.093 0.000 2.012 414 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 414 L C 2.584 179.541 176.870 0.146 0.000 1.073 414 L CA 2.039 56.953 54.840 0.124 0.000 0.748 414 L CB -1.100 41.027 42.059 0.113 0.000 0.891 414 L HN 0.510 nan 8.230 nan 0.000 0.431 415 G N -0.563 108.302 108.800 0.109 0.000 2.440 415 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.218 415 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.218 415 G C 1.561 176.543 174.900 0.137 0.000 1.154 415 G CA 0.861 46.026 45.100 0.108 0.000 0.767 415 G HN 0.274 nan 8.290 nan 0.000 0.552 416 M N -0.424 119.266 119.600 0.152 0.000 2.200 416 M HA 0.128 4.607 4.480 -0.000 0.000 0.265 416 M C 2.709 179.217 176.300 0.347 0.000 1.066 416 M CA 1.041 56.473 55.300 0.221 0.000 1.127 416 M CB -0.213 32.490 32.600 0.171 0.000 1.379 416 M HN 0.216 nan 8.290 nan 0.000 0.420 417 M N 0.049 119.877 119.600 0.380 0.000 2.086 417 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 417 M C 1.970 178.702 176.300 0.720 0.000 1.067 417 M CA 1.551 57.255 55.300 0.674 0.000 1.116 417 M CB -0.394 32.574 32.600 0.614 0.000 1.348 417 M HN 0.252 nan 8.290 nan 0.000 0.407 418 L N -0.246 121.258 121.223 0.467 0.000 2.275 418 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 418 L C 2.485 179.492 176.870 0.227 0.000 1.119 418 L CA 0.953 56.026 54.840 0.389 0.000 0.790 418 L CB -0.647 41.569 42.059 0.261 0.000 0.919 418 L HN 0.348 nan 8.230 nan 0.000 0.443 419 K N -0.837 119.643 120.400 0.133 0.000 2.137 419 K HA -0.088 4.232 4.320 -0.000 0.000 0.202 419 K C 1.886 178.327 176.600 -0.264 0.000 1.052 419 K CA 0.769 57.007 56.287 -0.082 0.000 0.961 419 K CB 0.186 32.579 32.500 -0.179 0.000 0.741 419 K HN 0.379 nan 8.250 nan 0.000 0.452 420 H N -1.410 117.583 119.070 -0.128 0.000 2.582 420 H HA 0.143 4.699 4.556 -0.000 0.000 0.269 420 H C -0.207 174.677 175.328 -0.741 0.000 0.962 420 H CA 0.401 56.149 56.048 -0.500 0.000 1.230 420 H CB 0.481 29.757 29.762 -0.810 0.000 1.445 420 H HN -0.005 nan 8.280 nan 0.000 0.528 421 F N 0.355 120.343 119.950 0.063 0.000 2.620 421 F HA 0.337 4.864 4.527 -0.000 0.000 0.320 421 F C -0.089 175.533 175.800 -0.295 0.000 1.069 421 F CA -1.142 56.731 58.000 -0.211 0.000 0.953 421 F CB 1.693 40.371 39.000 -0.536 0.000 1.322 421 F HN -0.247 nan 8.300 nan 0.000 0.479 422 D N 1.091 121.408 120.400 -0.139 0.000 2.278 422 D HA 0.379 5.019 4.640 -0.000 0.000 0.245 422 D C -1.205 174.934 176.300 -0.267 0.000 1.052 422 D CA -0.112 53.846 54.000 -0.070 0.000 0.834 422 D CB 1.926 42.722 40.800 -0.007 0.000 1.194 422 D HN 0.133 nan 8.370 nan 0.000 0.481 423 F N 0.966 120.967 119.950 0.085 0.000 2.421 423 F HA 0.273 4.800 4.527 -0.000 0.000 0.337 423 F C 0.894 176.708 175.800 0.024 0.000 1.105 423 F CA -0.721 57.295 58.000 0.026 0.000 1.049 423 F CB 1.585 40.603 39.000 0.031 0.000 1.139 423 F HN 0.124 nan 8.300 nan 0.000 0.479 424 E N 1.773 122.063 120.200 0.150 0.000 2.199 424 E HA 0.122 4.472 4.350 -0.000 0.000 0.265 424 E C -1.356 175.355 176.600 0.186 0.000 0.882 424 E CA -0.638 55.838 56.400 0.127 0.000 0.759 424 E CB 1.247 30.983 29.700 0.060 0.000 1.148 424 E HN 0.562 nan 8.360 nan 0.000 0.412 425 D N 3.479 123.978 120.400 0.165 0.000 2.845 425 D HA 0.005 4.645 4.640 -0.000 0.000 0.235 425 D C 1.043 177.403 176.300 0.100 0.000 1.158 425 D CA -0.048 54.045 54.000 0.156 0.000 0.990 425 D CB -0.365 40.515 40.800 0.134 0.000 1.094 425 D HN 0.659 nan 8.370 nan 0.000 0.486 426 H N -1.242 117.838 119.070 0.016 0.000 2.518 426 H HA -0.140 4.416 4.556 -0.000 0.000 0.294 426 H C 1.341 176.671 175.328 0.003 0.000 1.083 426 H CA 1.721 57.768 56.048 -0.002 0.000 1.264 426 H CB -0.124 29.620 29.762 -0.029 0.000 1.370 426 H HN 0.203 nan 8.280 nan 0.000 0.560 427 T N -3.384 110.911 114.554 -0.431 0.000 3.044 427 T HA 0.048 4.398 4.350 -0.000 0.000 0.260 427 T C 0.510 175.164 174.700 -0.077 0.000 1.019 427 T CA -0.005 61.930 62.100 -0.276 0.000 0.921 427 T CB -0.452 68.193 68.868 -0.372 0.000 1.053 427 T HN 0.530 nan 8.240 nan 0.000 0.533 428 N N 1.071 119.761 118.700 -0.017 0.000 2.696 428 N HA -0.242 4.497 4.740 -0.000 0.000 0.256 428 N C -0.453 175.096 175.510 0.065 0.000 1.031 428 N CA 0.226 53.293 53.050 0.030 0.000 0.730 428 N CB -2.224 36.265 38.487 0.003 0.000 0.894 428 N HN 0.739 nan 8.380 nan 0.000 0.544 429 Y N 0.806 121.109 120.300 0.005 0.000 2.811 429 Y HA 0.069 4.619 4.550 -0.000 0.000 0.334 429 Y C 0.616 176.538 175.900 0.038 0.000 1.247 429 Y CA 0.367 58.490 58.100 0.039 0.000 1.526 429 Y CB 0.466 39.031 38.460 0.175 0.000 1.284 429 Y HN 0.350 nan 8.280 nan 0.000 0.586 430 E N 6.386 126.173 120.200 -0.689 0.000 2.113 430 E HA 0.254 4.604 4.350 -0.000 0.000 0.273 430 E C -1.302 174.622 176.600 -1.127 0.000 0.924 430 E CA -1.188 54.828 56.400 -0.641 0.000 0.764 430 E CB 0.679 30.196 29.700 -0.305 0.000 1.104 430 E HN 0.719 nan 8.360 nan 0.000 0.406 431 L N 4.908 125.570 121.223 -0.935 0.000 2.700 431 L HA -0.010 4.330 4.340 -0.000 0.000 0.276 431 L C -0.756 175.842 176.870 -0.453 0.000 1.200 431 L CA 1.098 55.460 54.840 -0.798 0.000 0.951 431 L CB 0.211 41.891 42.059 -0.631 0.000 1.226 431 L HN 0.453 nan 8.230 nan 0.000 0.489 432 D N 5.759 125.981 120.400 -0.297 0.000 2.505 432 D HA 0.275 4.915 4.640 -0.000 0.000 0.250 432 D C -0.616 175.586 176.300 -0.164 0.000 1.164 432 D CA -0.290 53.606 54.000 -0.173 0.000 0.870 432 D CB 0.664 41.416 40.800 -0.081 0.000 1.160 432 D HN 0.472 nan 8.370 nan 0.000 0.549 433 I N 3.263 123.702 120.570 -0.219 0.000 2.322 433 I HA 0.119 4.289 4.170 -0.000 0.000 0.292 433 I C 0.543 176.580 176.117 -0.135 0.000 1.060 433 I CA -0.647 60.520 61.300 -0.222 0.000 1.309 433 I CB 0.657 38.419 38.000 -0.396 0.000 1.415 433 I HN 0.093 nan 8.210 nan 0.000 0.492 434 K N 7.098 127.438 120.400 -0.100 0.000 2.218 434 K HA 0.307 4.627 4.320 -0.000 0.000 0.276 434 K C -0.589 175.987 176.600 -0.041 0.000 1.022 434 K CA -0.030 56.220 56.287 -0.062 0.000 0.946 434 K CB 0.758 33.226 32.500 -0.054 0.000 1.000 434 K HN 0.466 nan 8.250 nan 0.000 0.468 435 E N 2.505 122.691 120.200 -0.023 0.000 2.222 435 E HA 0.321 4.671 4.350 -0.000 0.000 0.267 435 E C -0.530 176.077 176.600 0.012 0.000 0.884 435 E CA -0.626 55.774 56.400 -0.001 0.000 0.764 435 E CB 1.850 31.551 29.700 0.001 0.000 1.169 435 E HN 0.944 nan 8.360 nan 0.000 0.413 436 T N -0.939 113.632 114.554 0.027 0.000 2.352 436 T HA 0.134 4.483 4.350 -0.000 0.000 0.186 436 T C 0.863 175.600 174.700 0.063 0.000 0.706 436 T CA -0.585 61.539 62.100 0.041 0.000 1.355 436 T CB -0.205 68.686 68.868 0.038 0.000 2.156 436 T HN 0.267 nan 8.240 nan 0.000 0.441 437 L N 2.310 123.581 121.223 0.081 0.000 2.217 437 L HA 0.297 4.637 4.340 -0.000 0.000 0.211 437 L C 1.033 177.958 176.870 0.092 0.000 1.107 437 L CA 1.728 56.633 54.840 0.108 0.000 0.783 437 L CB -0.659 41.484 42.059 0.140 0.000 0.919 437 L HN 1.014 nan 8.230 nan 0.000 0.442 438 T N -3.060 111.533 114.554 0.064 0.000 2.841 438 T HA 0.557 4.906 4.350 -0.000 0.000 0.276 438 T C -0.350 174.390 174.700 0.066 0.000 1.003 438 T CA -0.866 61.273 62.100 0.065 0.000 0.995 438 T CB 1.120 70.010 68.868 0.038 0.000 1.260 438 T HN -0.003 nan 8.240 nan 0.000 0.581 439 L N 1.189 122.475 121.223 0.105 0.000 2.346 439 L HA 0.715 5.055 4.340 -0.000 0.000 0.276 439 L C -0.297 176.678 176.870 0.174 0.000 1.006 439 L CA -0.987 53.929 54.840 0.128 0.000 0.817 439 L CB 1.740 43.899 42.059 0.167 0.000 1.272 439 L HN 0.863 nan 8.230 nan 0.000 0.421 440 K N 2.187 122.605 120.400 0.030 0.000 2.562 440 K HA 0.486 4.806 4.320 -0.000 0.000 0.267 440 K C -3.139 173.237 176.600 -0.373 0.000 0.938 440 K CA -1.740 54.409 56.287 -0.230 0.000 0.840 440 K CB 2.593 35.000 32.500 -0.155 0.000 1.390 440 K HN 0.113 nan 8.250 nan 0.000 0.428 441 P HA 0.072 nan 4.420 nan 0.000 0.277 441 P C -0.704 176.473 177.300 -0.205 0.000 1.354 441 P CA -0.023 62.789 63.100 -0.481 0.000 0.891 441 P CB 0.725 31.990 31.700 -0.725 0.000 1.058 442 E N 3.454 123.595 120.200 -0.099 0.000 2.415 442 E HA 0.282 4.631 4.350 -0.000 0.000 0.263 442 E C 1.438 178.057 176.600 0.031 0.000 0.995 442 E CA 1.021 57.400 56.400 -0.035 0.000 0.915 442 E CB -0.547 29.139 29.700 -0.025 0.000 0.951 442 E HN 0.699 nan 8.360 nan 0.000 0.449 443 G N 4.206 112.994 108.800 -0.019 0.000 2.168 443 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.257 443 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.257 443 G C -0.051 174.730 174.900 -0.198 0.000 0.997 443 G CA 0.150 45.233 45.100 -0.029 0.000 0.708 443 G HN 0.518 nan 8.290 nan 0.000 0.520 444 F N 1.229 120.795 119.950 -0.640 0.000 2.533 444 F HA 0.540 5.067 4.527 -0.000 0.000 0.378 444 F C 0.257 175.746 175.800 -0.518 0.000 1.070 444 F CA -1.039 56.304 58.000 -1.094 0.000 1.172 444 F CB 0.829 39.290 39.000 -0.899 0.000 1.085 444 F HN 0.016 nan 8.300 nan 0.000 0.552 445 V N 7.152 126.752 119.914 -0.522 0.000 2.769 445 V HA 0.739 4.859 4.120 -0.000 0.000 0.312 445 V C -0.793 175.059 176.094 -0.404 0.000 1.061 445 V CA -0.712 61.342 62.300 -0.410 0.000 0.931 445 V CB 2.074 33.747 31.823 -0.249 0.000 1.010 445 V HN 0.693 nan 8.190 nan 0.000 0.433 446 V N 3.816 123.577 119.914 -0.254 0.000 3.202 446 V HA 0.671 4.791 4.120 -0.000 0.000 0.306 446 V C -1.266 174.801 176.094 -0.045 0.000 1.283 446 V CA -0.745 61.508 62.300 -0.079 0.000 1.065 446 V CB 2.688 34.331 31.823 -0.300 0.000 1.079 446 V HN 0.876 nan 8.190 nan 0.000 0.448 447 K N 1.417 121.772 120.400 -0.075 0.000 2.397 447 K HA 0.841 5.161 4.320 -0.000 0.000 0.253 447 K C -1.147 175.290 176.600 -0.272 0.000 0.932 447 K CA -0.389 55.721 56.287 -0.295 0.000 0.795 447 K CB 1.898 34.129 32.500 -0.448 0.000 1.159 447 K HN 0.932 nan 8.250 nan 0.000 0.424 448 A N 4.156 126.725 122.820 -0.418 0.000 2.304 448 A HA 0.492 4.812 4.320 -0.000 0.000 0.314 448 A C -1.136 176.278 177.584 -0.282 0.000 1.187 448 A CA -0.840 50.880 52.037 -0.528 0.000 0.810 448 A CB 0.811 19.226 19.000 -0.976 0.000 1.183 448 A HN 0.489 nan 8.150 nan 0.000 0.487 449 K N 1.692 121.994 120.400 -0.163 0.000 2.211 449 K HA 0.373 4.693 4.320 -0.000 0.000 0.275 449 K C 0.271 176.924 176.600 0.089 0.000 1.024 449 K CA -0.183 56.084 56.287 -0.034 0.000 0.887 449 K CB 1.633 34.106 32.500 -0.045 0.000 1.084 449 K HN 0.644 nan 8.250 nan 0.000 0.463 450 S N 1.862 117.653 115.700 0.153 0.000 2.585 450 S HA 0.112 4.582 4.470 -0.000 0.000 0.273 450 S C 0.563 175.147 174.600 -0.025 0.000 1.339 450 S CA -0.154 58.102 58.200 0.094 0.000 1.028 450 S CB 0.430 63.680 63.200 0.084 0.000 0.906 450 S HN 0.486 nan 8.310 nan 0.000 0.528 451 K N 1.605 121.943 120.400 -0.102 0.000 2.387 451 K HA 0.161 4.480 4.320 -0.000 0.000 0.198 451 K C -0.297 176.263 176.600 -0.067 0.000 1.022 451 K CA -0.161 56.080 56.287 -0.078 0.000 1.128 451 K CB 0.087 32.528 32.500 -0.099 0.000 0.853 451 K HN 0.597 nan 8.250 nan 0.000 0.523 452 K N 0.865 121.228 120.400 -0.062 0.000 3.071 452 K HA -0.184 4.136 4.320 -0.000 0.000 0.262 452 K C -0.667 175.918 176.600 -0.024 0.000 0.977 452 K CA 0.658 56.923 56.287 -0.036 0.000 0.721 452 K CB -1.810 30.675 32.500 -0.024 0.000 1.293 452 K HN 0.287 nan 8.250 nan 0.000 0.475 453 I N 1.796 122.361 120.570 -0.010 0.000 2.353 453 I HA 0.248 4.418 4.170 -0.000 0.000 0.293 453 I C -1.423 174.757 176.117 0.106 0.000 0.992 453 I CA -2.384 58.916 61.300 0.001 0.000 1.268 453 I CB 1.033 38.955 38.000 -0.130 0.000 1.387 453 I HN -0.044 nan 8.210 nan 0.000 0.478 454 P HA 0.216 nan 4.420 nan 0.000 0.272 454 P C -0.815 176.547 177.300 0.103 0.000 1.230 454 P CA -0.116 63.016 63.100 0.053 0.000 0.788 454 P CB 1.413 33.125 31.700 0.020 0.000 0.949 455 L N 0.000 121.234 121.223 0.019 0.000 2.949 455 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 455 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 455 L CB 0.000 41.990 42.059 -0.115 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502