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 1iji_1_A DATA FIRST_RESID 3 DATA SEQUENCE TVTITDLARE NVRNLTPYQS ARRLGGNGDV WLNANEYPTA VEFQLTQQTL DATA SEQUENCE NRYPECQPKA VIENYAQYAG VKPEQVLVSR GADEGIELLI RAFCEPGKDA DATA SEQUENCE ILYCPPTYGM YSVSAETIGV ECRTVPTLDN WQLDLQGISD KLDGVKVVYV DATA SEQUENCE CSPNNPTGQL INPQDFRTLL ELTRGKAIVV ADEAYIEFCP QASLAGWLAE DATA SEQUENCE YPHLAILRTL SKAFALAGLR CGFTLANEEV INLLMKVIAP YPLSTPVADI DATA SEQUENCE AAQALSPQGI VAMRERVAQI IAEREYLIAA LKEIPCVEQV FDSETNYILA DATA SEQUENCE RFKASSAVFK SLWDQGIILR DQNKQPSLSG CLRITVGTRE ESQRVIDALR DATA SEQUENCE AEQV 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.700 174.700 -0.000 0.000 1.109 3 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 3 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 4 V N 3.411 123.325 119.914 -0.000 0.000 2.495 4 V HA 0.745 4.864 4.120 -0.001 0.000 0.298 4 V C 0.789 176.883 176.094 -0.001 0.000 1.031 4 V CA -0.810 61.490 62.300 -0.000 0.000 0.871 4 V CB 1.993 33.816 31.823 -0.000 0.000 0.988 4 V HN 1.090 nan 8.190 nan 0.000 0.432 5 T N 1.799 116.352 114.554 -0.001 0.000 2.902 5 T HA 0.443 4.793 4.350 -0.001 0.000 0.280 5 T C 1.221 175.921 174.700 -0.001 0.000 0.992 5 T CA -0.674 61.426 62.100 -0.001 0.000 1.015 5 T CB 1.048 69.915 68.868 -0.001 0.000 1.044 5 T HN 0.238 nan 8.240 nan 0.000 0.520 6 I N 1.093 121.662 120.570 -0.001 0.000 2.226 6 I HA -0.145 4.025 4.170 -0.001 0.000 0.245 6 I C 2.726 178.843 176.117 -0.001 0.000 1.100 6 I CA 1.456 62.755 61.300 -0.001 0.000 1.374 6 I CB -2.041 35.958 38.000 -0.001 0.000 1.057 6 I HN 0.780 nan 8.210 nan 0.000 0.413 7 T N 0.851 115.403 114.554 -0.002 0.000 2.778 7 T HA -0.186 4.164 4.350 -0.001 0.000 0.269 7 T C 1.401 176.100 174.700 -0.002 0.000 1.050 7 T CA 1.492 63.591 62.100 -0.002 0.000 1.137 7 T CB -0.269 68.597 68.868 -0.003 0.000 0.860 7 T HN 0.316 nan 8.240 nan 0.000 0.468 8 D N 0.881 121.281 120.400 -0.001 0.000 2.310 8 D HA 0.034 4.674 4.640 -0.001 0.000 0.212 8 D C 1.897 178.196 176.300 -0.001 0.000 0.965 8 D CA 0.548 54.547 54.000 -0.001 0.000 0.879 8 D CB -0.110 40.689 40.800 -0.001 0.000 0.921 8 D HN 0.384 nan 8.370 nan 0.000 0.510 9 L N 0.364 121.587 121.223 -0.001 0.000 2.341 9 L HA 0.129 4.469 4.340 -0.001 0.000 0.214 9 L C 1.296 178.166 176.870 -0.001 0.000 1.115 9 L CA -0.141 54.698 54.840 -0.000 0.000 0.820 9 L CB -0.253 41.806 42.059 -0.000 0.000 0.944 9 L HN -0.134 nan 8.230 nan 0.000 0.452 10 A N 0.858 123.677 122.820 -0.001 0.000 2.425 10 A HA 0.233 4.553 4.320 -0.001 0.000 0.242 10 A C 0.285 177.869 177.584 -0.001 0.000 1.077 10 A CA -0.233 51.803 52.037 -0.001 0.000 0.781 10 A CB 0.097 19.095 19.000 -0.002 0.000 1.020 10 A HN 0.256 nan 8.150 nan 0.000 0.494 11 R N 0.454 120.954 120.500 -0.001 0.000 2.679 11 R HA 0.042 4.382 4.340 -0.001 0.000 0.268 11 R C 1.009 177.309 176.300 0.000 0.000 1.044 11 R CA 0.298 56.399 56.100 0.000 0.000 1.105 11 R CB 0.309 30.610 30.300 0.001 0.000 0.989 11 R HN 0.941 nan 8.270 nan 0.000 0.447 12 E N 2.694 122.895 120.200 0.001 0.000 2.049 12 E HA -0.299 4.051 4.350 -0.001 0.000 0.198 12 E C 1.513 178.113 176.600 0.001 0.000 1.007 12 E CA 2.292 58.693 56.400 0.001 0.000 0.809 12 E CB -0.117 29.585 29.700 0.002 0.000 0.749 12 E HN 0.719 nan 8.360 nan 0.000 0.450 13 N N 0.314 119.015 118.700 0.002 0.000 2.149 13 N HA -0.159 4.581 4.740 -0.001 0.000 0.188 13 N C 1.878 177.387 175.510 -0.002 0.000 1.019 13 N CA 1.889 54.941 53.050 0.002 0.000 0.857 13 N CB -0.692 37.798 38.487 0.005 0.000 0.997 13 N HN 0.207 nan 8.380 nan 0.000 0.426 14 V N 1.288 121.200 119.914 -0.003 0.000 2.427 14 V HA -0.101 4.019 4.120 -0.001 0.000 0.248 14 V C 2.772 178.862 176.094 -0.007 0.000 1.051 14 V CA 1.414 63.711 62.300 -0.006 0.000 1.048 14 V CB -0.548 31.272 31.823 -0.005 0.000 0.666 14 V HN 0.306 nan 8.190 nan 0.000 0.456 15 R N 0.332 120.829 120.500 -0.005 0.000 2.092 15 R HA -0.082 4.258 4.340 -0.001 0.000 0.231 15 R C 1.947 178.242 176.300 -0.007 0.000 1.119 15 R CA 1.409 57.505 56.100 -0.006 0.000 0.970 15 R CB -0.273 30.024 30.300 -0.004 0.000 0.864 15 R HN 0.532 nan 8.270 nan 0.000 0.440 16 N N 0.909 119.605 118.700 -0.006 0.000 2.424 16 N HA -0.015 4.724 4.740 -0.001 0.000 0.178 16 N C 0.468 175.972 175.510 -0.009 0.000 1.060 16 N CA 0.260 53.306 53.050 -0.007 0.000 0.901 16 N CB -0.106 38.379 38.487 -0.003 0.000 0.979 16 N HN 0.089 nan 8.380 nan 0.000 0.451 17 L N -0.573 120.643 121.223 -0.011 0.000 2.464 17 L HA 0.423 4.763 4.340 -0.001 0.000 0.264 17 L C 0.173 177.029 176.870 -0.022 0.000 1.199 17 L CA -0.071 54.759 54.840 -0.017 0.000 0.818 17 L CB -0.071 41.977 42.059 -0.019 0.000 1.102 17 L HN -0.255 nan 8.230 nan 0.000 0.473 18 T N 2.143 116.679 114.554 -0.029 0.000 2.770 18 T HA 0.513 4.862 4.350 -0.001 0.000 0.283 18 T C -2.321 172.351 174.700 -0.046 0.000 0.988 18 T CA -0.761 61.318 62.100 -0.034 0.000 0.957 18 T CB 0.985 69.832 68.868 -0.036 0.000 0.930 18 T HN 0.713 nan 8.240 nan 0.000 0.443 19 P HA 0.133 nan 4.420 nan 0.000 0.269 19 P C 0.117 177.375 177.300 -0.069 0.000 1.209 19 P CA -0.199 62.869 63.100 -0.054 0.000 0.776 19 P CB 0.150 31.825 31.700 -0.042 0.000 0.876 20 Y N -1.009 119.236 120.300 -0.091 0.000 2.904 20 Y HA 0.281 4.830 4.550 -0.001 0.000 0.336 20 Y C 1.432 177.278 175.900 -0.089 0.000 1.263 20 Y CA -0.256 57.774 58.100 -0.117 0.000 1.547 20 Y CB -1.186 37.182 38.460 -0.154 0.000 1.272 20 Y HN 0.712 nan 8.280 nan 0.000 0.596 21 Q N 2.627 122.372 119.800 -0.092 0.000 3.006 21 Q HA 0.514 4.854 4.340 -0.001 0.000 0.260 21 Q C 1.072 177.036 176.000 -0.060 0.000 1.356 21 Q CA 0.262 56.024 55.803 -0.068 0.000 1.070 21 Q CB -0.035 28.662 28.738 -0.069 0.000 1.507 21 Q HN 1.842 nan 8.270 nan 0.000 0.568 22 S N 0.029 115.699 115.700 -0.050 0.000 2.468 22 S HA 0.636 5.106 4.470 -0.001 0.000 0.226 22 S C 1.455 176.044 174.600 -0.017 0.000 1.051 22 S CA 0.676 58.856 58.200 -0.032 0.000 0.943 22 S CB 0.223 63.405 63.200 -0.029 0.000 0.810 22 S HN 1.277 nan 8.310 nan 0.000 0.509 23 A N 0.219 123.030 122.820 -0.014 0.000 2.386 23 A HA 0.680 5.000 4.320 -0.001 0.000 0.248 23 A C 0.686 178.282 177.584 0.020 0.000 1.082 23 A CA 0.543 52.579 52.037 -0.003 0.000 0.789 23 A CB 0.061 19.061 19.000 0.001 0.000 1.025 23 A HN 1.557 nan 8.150 nan 0.000 0.490 24 R N -0.311 120.213 120.500 0.040 0.000 2.397 24 R HA 0.521 4.861 4.340 -0.001 0.000 0.162 24 R C -0.056 176.318 176.300 0.124 0.000 1.228 24 R CA 0.772 56.959 56.100 0.145 0.000 0.770 24 R CB -1.654 28.768 30.300 0.203 0.000 1.357 24 R HN 2.091 nan 8.270 nan 0.000 0.473 25 R N -0.422 120.116 120.500 0.063 0.000 2.549 25 R HA 1.042 5.381 4.340 -0.001 0.000 0.259 25 R C 0.798 177.142 176.300 0.073 0.000 1.095 25 R CA 0.405 56.497 56.100 -0.014 0.000 1.148 25 R CB 0.804 31.113 30.300 0.014 0.000 1.181 25 R HN 2.018 nan 8.270 nan 0.000 0.571 26 L N 0.039 121.294 121.223 0.053 0.000 2.512 26 L HA 0.613 4.953 4.340 -0.001 0.000 0.291 26 L C 0.713 177.688 176.870 0.175 0.000 1.360 26 L CA -0.223 54.686 54.840 0.115 0.000 0.655 26 L CB 0.009 42.099 42.059 0.051 0.000 0.968 26 L HN 1.568 nan 8.230 nan 0.000 0.517 27 G N -0.269 108.628 108.800 0.163 0.000 2.241 27 G HA2 0.435 4.395 3.960 -0.001 0.000 0.235 27 G HA3 0.435 4.395 3.960 -0.001 0.000 0.235 27 G C 1.518 176.476 174.900 0.097 0.000 1.127 27 G CA 1.020 46.213 45.100 0.155 0.000 0.867 27 G HN 2.455 nan 8.290 nan 0.000 0.473 28 G N 0.558 109.387 108.800 0.049 0.000 2.200 28 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.268 28 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.268 28 G C 1.065 175.950 174.900 -0.026 0.000 0.986 28 G CA 1.711 46.798 45.100 -0.021 0.000 0.677 28 G HN 1.535 nan 8.290 nan 0.000 0.532 29 N N -0.128 118.585 118.700 0.022 0.000 2.428 29 N HA 0.488 5.228 4.740 -0.001 0.000 0.181 29 N C 1.571 177.059 175.510 -0.036 0.000 1.028 29 N CA 1.574 54.632 53.050 0.013 0.000 0.877 29 N CB -0.027 38.495 38.487 0.057 0.000 1.064 29 N HN 1.309 nan 8.380 nan 0.000 0.434 30 G N -2.184 106.628 108.800 0.019 0.000 2.400 30 G HA2 0.457 4.417 3.960 -0.001 0.000 0.333 30 G HA3 0.457 4.417 3.960 -0.001 0.000 0.333 30 G C 0.341 174.759 174.900 -0.804 0.000 1.143 30 G CA 0.838 45.853 45.100 -0.141 0.000 0.914 30 G HN 0.494 nan 8.290 nan 0.000 0.480 31 D N -0.298 119.747 120.400 -0.592 0.000 2.423 31 D HA 0.319 4.959 4.640 -0.001 0.000 0.212 31 D C 0.710 176.658 176.300 -0.586 0.000 1.060 31 D CA 0.314 53.945 54.000 -0.614 0.000 0.872 31 D CB 0.529 41.139 40.800 -0.317 0.000 1.012 31 D HN 0.367 nan 8.370 nan 0.000 0.503 32 V N 0.885 120.598 119.914 -0.335 0.000 2.294 32 V HA 0.319 4.438 4.120 -0.001 0.000 0.272 32 V C -1.014 175.308 176.094 0.380 0.000 1.027 32 V CA -0.855 61.415 62.300 -0.049 0.000 0.823 32 V CB 0.549 32.378 31.823 0.010 0.000 1.030 32 V HN 0.495 nan 8.190 nan 0.000 0.457 33 W N 6.446 127.700 121.300 -0.076 0.000 2.311 33 W HA 0.558 5.217 4.660 -0.000 0.000 0.317 33 W C -0.171 176.334 176.519 -0.024 0.000 1.065 33 W CA -0.773 56.533 57.345 -0.064 0.000 1.364 33 W CB 1.152 30.582 29.460 -0.050 0.000 1.233 33 W HN 0.494 nan 8.180 nan 0.000 0.409 34 L N 4.715 126.056 121.223 0.197 0.000 3.025 34 L HA 0.123 4.463 4.340 -0.001 0.000 0.307 34 L C 0.815 177.735 176.870 0.082 0.000 1.303 34 L CA -0.081 54.835 54.840 0.128 0.000 0.817 34 L CB -0.272 41.858 42.059 0.119 0.000 1.227 34 L HN 0.488 nan 8.230 nan 0.000 0.571 35 N N -0.002 118.717 118.700 0.032 0.000 2.193 35 N HA 0.110 4.850 4.740 -0.001 0.000 0.210 35 N C 0.833 176.343 175.510 0.000 0.000 1.215 35 N CA 0.487 53.540 53.050 0.006 0.000 0.901 35 N CB 0.919 39.370 38.487 -0.059 0.000 1.060 35 N HN 0.200 nan 8.380 nan 0.000 0.508 36 A N 0.392 123.225 122.820 0.022 0.000 2.508 36 A HA 0.304 4.624 4.320 -0.001 0.000 0.257 36 A C 0.018 177.667 177.584 0.107 0.000 1.226 36 A CA -0.343 51.721 52.037 0.045 0.000 0.947 36 A CB -0.227 18.794 19.000 0.035 0.000 1.079 36 A HN 0.131 nan 8.150 nan 0.000 0.531 37 N N 0.780 119.562 118.700 0.136 0.000 2.735 37 N HA -0.149 4.590 4.740 -0.001 0.000 0.248 37 N C -0.618 175.054 175.510 0.269 0.000 1.083 37 N CA 1.501 54.699 53.050 0.246 0.000 0.703 37 N CB -1.576 37.131 38.487 0.366 0.000 1.005 37 N HN 0.816 nan 8.380 nan 0.000 0.550 38 E N -0.489 119.839 120.200 0.213 0.000 2.283 38 E HA 0.254 4.604 4.350 -0.001 0.000 0.271 38 E C -0.088 176.669 176.600 0.262 0.000 1.031 38 E CA -0.847 55.691 56.400 0.230 0.000 0.868 38 E CB 0.815 30.627 29.700 0.186 0.000 1.094 38 E HN 0.204 nan 8.360 nan 0.000 0.401 39 Y N 4.300 124.705 120.300 0.176 0.000 2.620 39 Y HA 0.016 4.566 4.550 -0.001 0.000 0.330 39 Y C -1.359 174.622 175.900 0.135 0.000 1.186 39 Y CA -1.867 56.331 58.100 0.165 0.000 1.467 39 Y CB 0.686 39.238 38.460 0.153 0.000 1.262 39 Y HN 0.453 nan 8.280 nan 0.000 0.550 40 P HA -0.075 nan 4.420 nan 0.000 0.225 40 P C -0.431 176.729 177.300 -0.232 0.000 1.148 40 P CA 1.049 63.991 63.100 -0.263 0.000 0.779 40 P CB 0.328 31.869 31.700 -0.265 0.000 0.780 41 T N 0.153 114.494 114.554 -0.354 0.000 2.876 41 T HA 0.577 4.927 4.350 -0.001 0.000 0.289 41 T C -0.419 174.411 174.700 0.215 0.000 1.014 41 T CA -0.494 61.581 62.100 -0.041 0.000 0.986 41 T CB 2.101 70.947 68.868 -0.037 0.000 1.021 41 T HN 0.027 nan 8.240 nan 0.000 0.458 42 A N 2.311 125.223 122.820 0.154 0.000 2.477 42 A HA 0.555 4.874 4.320 -0.001 0.000 0.246 42 A C -0.077 177.616 177.584 0.182 0.000 1.078 42 A CA -0.303 51.839 52.037 0.175 0.000 0.770 42 A CB 0.026 19.094 19.000 0.112 0.000 1.011 42 A HN 0.678 nan 8.150 nan 0.000 0.494 43 V N 4.160 124.201 119.914 0.211 0.000 2.378 43 V HA 0.219 4.339 4.120 -0.001 0.000 0.288 43 V C 0.108 176.290 176.094 0.146 0.000 1.016 43 V CA -0.584 61.809 62.300 0.155 0.000 0.840 43 V CB 1.223 33.183 31.823 0.228 0.000 0.994 43 V HN 0.999 nan 8.190 nan 0.000 0.431 44 E N 4.136 124.313 120.200 -0.038 0.000 2.354 44 E HA 0.556 4.906 4.350 -0.001 0.000 0.269 44 E C -1.427 174.996 176.600 -0.294 0.000 1.036 44 E CA -0.060 56.313 56.400 -0.043 0.000 0.876 44 E CB 1.264 30.931 29.700 -0.054 0.000 1.009 44 E HN 0.488 nan 8.360 nan 0.000 0.416 45 F N 0.722 120.688 119.950 0.026 0.000 2.596 45 F HA 0.215 4.742 4.527 -0.001 0.000 0.311 45 F C -0.099 175.711 175.800 0.017 0.000 1.116 45 F CA -0.960 57.053 58.000 0.021 0.000 0.957 45 F CB 1.953 40.967 39.000 0.023 0.000 1.250 45 F HN 0.150 nan 8.300 nan 0.000 0.444 46 Q N 3.060 122.964 119.800 0.174 0.000 2.345 46 Q HA 0.549 4.888 4.340 -0.001 0.000 0.268 46 Q C -0.668 175.393 176.000 0.101 0.000 1.054 46 Q CA -0.956 54.909 55.803 0.103 0.000 0.835 46 Q CB 3.039 31.808 28.738 0.052 0.000 1.339 46 Q HN 0.628 nan 8.270 nan 0.000 0.447 47 L N 1.369 122.632 121.223 0.068 0.000 2.456 47 L HA 0.114 4.454 4.340 -0.001 0.000 0.272 47 L C 1.395 178.291 176.870 0.043 0.000 1.189 47 L CA 0.387 55.257 54.840 0.051 0.000 0.846 47 L CB 0.150 42.227 42.059 0.031 0.000 1.111 47 L HN 0.861 nan 8.230 nan 0.000 0.475 48 T N -1.839 112.739 114.554 0.040 0.000 2.958 48 T HA 0.112 4.462 4.350 -0.001 0.000 0.256 48 T C 0.580 175.294 174.700 0.023 0.000 0.983 48 T CA -0.248 61.872 62.100 0.033 0.000 0.924 48 T CB 0.285 69.178 68.868 0.041 0.000 1.136 48 T HN 0.571 nan 8.240 nan 0.000 0.506 49 Q N 1.902 121.714 119.800 0.019 0.000 2.462 49 Q HA 0.369 4.709 4.340 -0.001 0.000 0.247 49 Q C -0.691 175.311 176.000 0.004 0.000 1.044 49 Q CA -0.482 55.328 55.803 0.012 0.000 0.803 49 Q CB 1.368 30.112 28.738 0.011 0.000 1.190 49 Q HN 0.133 nan 8.270 nan 0.000 0.507 50 Q N 1.783 121.585 119.800 0.002 0.000 3.247 50 Q HA 0.061 4.400 4.340 -0.001 0.000 0.326 50 Q C 0.320 176.314 176.000 -0.010 0.000 1.402 50 Q CA 0.188 55.989 55.803 -0.004 0.000 0.994 50 Q CB 0.070 28.806 28.738 -0.002 0.000 1.647 50 Q HN 0.666 nan 8.270 nan 0.000 0.523 51 T N -3.855 110.690 114.554 -0.015 0.000 3.252 51 T HA 0.252 4.602 4.350 -0.001 0.000 0.286 51 T C 1.314 175.990 174.700 -0.040 0.000 1.013 51 T CA -0.274 61.814 62.100 -0.020 0.000 0.914 51 T CB -0.128 68.733 68.868 -0.011 0.000 1.131 51 T HN 0.308 nan 8.240 nan 0.000 0.529 52 L N 1.951 123.146 121.223 -0.046 0.000 2.456 52 L HA -0.129 4.211 4.340 -0.001 0.000 0.225 52 L C 2.567 179.374 176.870 -0.105 0.000 1.142 52 L CA 1.296 56.093 54.840 -0.073 0.000 0.796 52 L CB -0.738 41.284 42.059 -0.061 0.000 0.920 52 L HN 0.557 nan 8.230 nan 0.000 0.446 53 N N -0.244 118.405 118.700 -0.085 0.000 2.446 53 N HA -0.072 4.667 4.740 -0.001 0.000 0.179 53 N C 0.665 176.102 175.510 -0.122 0.000 1.054 53 N CA 0.385 53.375 53.050 -0.099 0.000 0.905 53 N CB 0.157 38.608 38.487 -0.060 0.000 0.973 53 N HN 0.204 nan 8.380 nan 0.000 0.448 54 R N 0.416 120.856 120.500 -0.101 0.000 2.540 54 R HA 0.272 4.612 4.340 -0.001 0.000 0.287 54 R C -0.562 175.664 176.300 -0.123 0.000 0.980 54 R CA -0.851 55.206 56.100 -0.071 0.000 0.966 54 R CB 0.361 30.655 30.300 -0.011 0.000 1.106 54 R HN 0.085 nan 8.270 nan 0.000 0.480 55 Y N 2.568 122.774 120.300 -0.157 0.000 2.550 55 Y HA 0.066 4.616 4.550 -0.001 0.000 0.343 55 Y C -0.995 174.811 175.900 -0.156 0.000 1.245 55 Y CA -0.111 57.822 58.100 -0.279 0.000 1.462 55 Y CB 0.076 38.217 38.460 -0.531 0.000 1.340 55 Y HN 0.430 nan 8.280 nan 0.000 0.604 56 P HA 0.187 nan 4.420 nan 0.000 0.284 56 P C -1.372 176.065 177.300 0.228 0.000 1.292 56 P CA -0.685 62.480 63.100 0.108 0.000 0.800 56 P CB 0.971 32.724 31.700 0.088 0.000 1.188 57 E N -0.972 119.332 120.200 0.173 0.000 2.366 57 E HA 0.081 4.431 4.350 -0.001 0.000 0.266 57 E C 1.064 177.769 176.600 0.176 0.000 1.051 57 E CA -0.517 55.985 56.400 0.169 0.000 0.884 57 E CB 0.533 30.289 29.700 0.093 0.000 1.006 57 E HN 0.379 nan 8.360 nan 0.000 0.417 58 C N 2.608 121.966 119.300 0.098 0.000 2.413 58 C HA -0.137 4.323 4.460 -0.001 0.000 0.276 58 C C 0.523 175.511 174.990 -0.004 0.000 1.248 58 C CA 0.925 59.927 59.018 -0.025 0.000 1.742 58 C CB -0.316 27.329 27.740 -0.159 0.000 2.017 58 C HN 0.548 nan 8.230 nan 0.000 0.481 59 Q N 0.531 120.336 119.800 0.009 0.000 2.771 59 Q HA 0.330 4.669 4.340 -0.001 0.000 0.247 59 Q C -2.604 173.416 176.000 0.032 0.000 0.986 59 Q CA -1.679 54.129 55.803 0.008 0.000 0.713 59 Q CB 0.890 29.631 28.738 0.005 0.000 1.241 59 Q HN 0.366 nan 8.270 nan 0.000 0.488 60 P HA -0.124 nan 4.420 nan 0.000 0.255 60 P C 0.853 178.186 177.300 0.054 0.000 1.161 60 P CA 0.540 63.667 63.100 0.045 0.000 0.768 60 P CB 0.666 32.387 31.700 0.035 0.000 0.746 61 K N 4.315 124.746 120.400 0.051 0.000 2.057 61 K HA -0.212 4.108 4.320 -0.001 0.000 0.207 61 K C 1.805 178.441 176.600 0.060 0.000 1.049 61 K CA 1.680 57.999 56.287 0.053 0.000 0.931 61 K CB -0.376 32.150 32.500 0.044 0.000 0.714 61 K HN 0.445 nan 8.250 nan 0.000 0.440 62 A N 0.608 123.460 122.820 0.054 0.000 1.902 62 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 62 A C 2.224 179.852 177.584 0.074 0.000 1.181 62 A CA 1.730 53.800 52.037 0.055 0.000 0.623 62 A CB -0.631 18.395 19.000 0.045 0.000 0.818 62 A HN 0.178 nan 8.150 nan 0.000 0.443 63 V N 0.602 120.570 119.914 0.090 0.000 2.261 63 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 63 V C 2.458 178.681 176.094 0.216 0.000 1.047 63 V CA 1.763 64.152 62.300 0.147 0.000 1.015 63 V CB -0.735 31.172 31.823 0.141 0.000 0.642 63 V HN 0.503 nan 8.190 nan 0.000 0.446 64 I N 0.335 121.019 120.570 0.190 0.000 2.151 64 I HA -0.257 3.912 4.170 -0.001 0.000 0.243 64 I C 2.616 178.825 176.117 0.153 0.000 1.080 64 I CA 1.925 63.345 61.300 0.199 0.000 1.339 64 I CB -1.217 36.862 38.000 0.131 0.000 1.039 64 I HN 0.508 nan 8.210 nan 0.000 0.409 65 E N 0.493 120.755 120.200 0.104 0.000 2.047 65 E HA -0.211 4.139 4.350 -0.001 0.000 0.191 65 E C 1.898 178.533 176.600 0.059 0.000 0.987 65 E CA 1.086 57.529 56.400 0.071 0.000 0.799 65 E CB -0.218 29.513 29.700 0.053 0.000 0.752 65 E HN 0.491 nan 8.360 nan 0.000 0.449 66 N N 0.446 119.184 118.700 0.064 0.000 2.120 66 N HA -0.174 4.565 4.740 -0.001 0.000 0.188 66 N C 1.580 177.094 175.510 0.006 0.000 1.024 66 N CA 0.966 54.037 53.050 0.035 0.000 0.852 66 N CB -0.458 38.048 38.487 0.033 0.000 1.003 66 N HN 0.229 nan 8.380 nan 0.000 0.424 67 Y N 1.275 121.527 120.300 -0.081 0.000 2.163 67 Y HA -0.037 4.512 4.550 -0.001 0.000 0.288 67 Y C 2.278 178.126 175.900 -0.087 0.000 1.136 67 Y CA 1.440 59.426 58.100 -0.190 0.000 1.147 67 Y CB -0.466 37.638 38.460 -0.594 0.000 0.987 67 Y HN 0.070 nan 8.280 nan 0.000 0.509 68 A N -0.188 122.665 122.820 0.054 0.000 1.917 68 A HA -0.318 4.001 4.320 -0.001 0.000 0.219 68 A C 2.102 179.645 177.584 -0.068 0.000 1.182 68 A CA 2.102 54.148 52.037 0.015 0.000 0.633 68 A CB -0.902 18.128 19.000 0.051 0.000 0.819 68 A HN 0.553 nan 8.150 nan 0.000 0.448 69 Q N -1.436 118.337 119.800 -0.045 0.000 2.050 69 Q HA -0.208 4.132 4.340 -0.001 0.000 0.202 69 Q C 1.897 177.850 176.000 -0.077 0.000 0.980 69 Q CA 2.363 58.140 55.803 -0.043 0.000 0.840 69 Q CB -0.621 28.113 28.738 -0.007 0.000 0.898 69 Q HN 0.771 nan 8.270 nan 0.000 0.424 70 Y N -0.269 119.884 120.300 -0.246 0.000 2.145 70 Y HA -0.069 4.481 4.550 -0.000 0.000 0.286 70 Y C 1.832 177.546 175.900 -0.311 0.000 1.145 70 Y CA 1.831 59.756 58.100 -0.292 0.000 1.148 70 Y CB -0.750 37.454 38.460 -0.427 0.000 0.981 70 Y HN 0.129 nan 8.280 nan 0.000 0.507 71 A N -0.196 122.151 122.820 -0.788 0.000 2.167 71 A HA 0.273 4.593 4.320 -0.001 0.000 0.214 71 A C 1.927 179.289 177.584 -0.369 0.000 1.151 71 A CA 0.953 52.556 52.037 -0.724 0.000 0.735 71 A CB -1.341 17.381 19.000 -0.464 0.000 0.802 71 A HN 1.150 nan 8.150 nan 0.000 0.467 72 G N -1.130 107.518 108.800 -0.252 0.000 2.160 72 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.244 72 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.244 72 G C 0.276 175.126 174.900 -0.084 0.000 1.022 72 G CA 0.747 45.761 45.100 -0.143 0.000 0.741 72 G HN 1.778 nan 8.290 nan 0.000 0.508 73 V N -4.243 115.631 119.914 -0.068 0.000 3.158 73 V HA 0.888 5.008 4.120 -0.001 0.000 0.315 73 V C 0.406 176.499 176.094 -0.001 0.000 1.148 73 V CA -1.731 60.557 62.300 -0.020 0.000 1.042 73 V CB 1.510 33.334 31.823 0.002 0.000 1.101 73 V HN 0.263 nan 8.190 nan 0.000 0.448 74 K N 1.939 122.348 120.400 0.015 0.000 2.202 74 K HA 0.374 4.694 4.320 -0.001 0.000 0.264 74 K C -1.787 174.836 176.600 0.038 0.000 1.010 74 K CA -1.293 55.007 56.287 0.022 0.000 0.940 74 K CB 1.015 33.528 32.500 0.022 0.000 0.983 74 K HN 0.556 nan 8.250 nan 0.000 0.475 75 P HA -0.227 nan 4.420 nan 0.000 0.220 75 P C 0.634 177.968 177.300 0.058 0.000 1.148 75 P CA 1.400 64.534 63.100 0.057 0.000 0.803 75 P CB 0.192 31.922 31.700 0.050 0.000 0.782 76 E N 0.491 120.719 120.200 0.045 0.000 2.511 76 E HA -0.137 4.212 4.350 -0.001 0.000 0.196 76 E C 1.113 177.742 176.600 0.049 0.000 1.066 76 E CA 0.614 57.040 56.400 0.043 0.000 0.871 76 E CB -0.509 29.212 29.700 0.033 0.000 0.863 76 E HN 0.414 nan 8.360 nan 0.000 0.520 77 Q N 0.579 120.413 119.800 0.056 0.000 2.219 77 Q HA 0.236 4.576 4.340 -0.001 0.000 0.209 77 Q C -0.362 175.685 176.000 0.079 0.000 0.854 77 Q CA -0.096 55.744 55.803 0.061 0.000 0.960 77 Q CB 1.545 30.315 28.738 0.052 0.000 1.116 77 Q HN 0.032 nan 8.270 nan 0.000 0.500 78 V N 1.469 121.438 119.914 0.092 0.000 2.604 78 V HA 0.495 4.615 4.120 -0.001 0.000 0.305 78 V C -0.725 175.438 176.094 0.114 0.000 1.043 78 V CA -0.879 61.496 62.300 0.126 0.000 0.888 78 V CB 2.293 34.220 31.823 0.172 0.000 0.995 78 V HN 0.168 nan 8.190 nan 0.000 0.429 79 L N 4.531 125.822 121.223 0.113 0.000 2.408 79 L HA 0.874 5.214 4.340 -0.001 0.000 0.268 79 L C -1.296 175.577 176.870 0.005 0.000 0.986 79 L CA -0.627 54.244 54.840 0.052 0.000 0.820 79 L CB 2.120 44.197 42.059 0.031 0.000 1.303 79 L HN 0.535 nan 8.230 nan 0.000 0.411 80 V N 4.373 124.221 119.914 -0.110 0.000 2.555 80 V HA 0.833 4.953 4.120 -0.001 0.000 0.302 80 V C -0.287 175.607 176.094 -0.334 0.000 1.038 80 V CA 0.379 62.426 62.300 -0.421 0.000 0.887 80 V CB 1.993 33.546 31.823 -0.450 0.000 0.991 80 V HN 1.040 nan 8.190 nan 0.000 0.434 81 S N 5.510 120.967 115.700 -0.405 0.000 2.794 81 S HA 0.557 5.026 4.470 -0.001 0.000 0.299 81 S C -0.327 174.131 174.600 -0.236 0.000 1.179 81 S CA -0.960 57.099 58.200 -0.235 0.000 0.838 81 S CB 1.397 64.512 63.200 -0.142 0.000 1.206 81 S HN 0.867 nan 8.310 nan 0.000 0.523 82 R N 1.016 121.432 120.500 -0.139 0.000 2.878 82 R HA 0.453 4.793 4.340 -0.001 0.000 0.239 82 R C 0.779 177.022 176.300 -0.095 0.000 1.515 82 R CA 1.013 57.046 56.100 -0.111 0.000 1.210 82 R CB -1.179 29.083 30.300 -0.064 0.000 1.209 82 R HN 1.296 nan 8.270 nan 0.000 0.610 83 G N 1.386 110.107 108.800 -0.133 0.000 2.846 83 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.660 83 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.660 83 G C 0.562 175.433 174.900 -0.048 0.000 1.464 83 G CA -0.350 44.700 45.100 -0.083 0.000 0.891 83 G HN 0.619 nan 8.290 nan 0.000 0.552 84 A N -0.568 122.251 122.820 -0.001 0.000 2.019 84 A HA 0.007 4.327 4.320 -0.001 0.000 0.219 84 A C 2.074 179.711 177.584 0.089 0.000 1.164 84 A CA 2.412 54.481 52.037 0.054 0.000 0.644 84 A CB -0.394 18.651 19.000 0.075 0.000 0.805 84 A HN 0.776 nan 8.150 nan 0.000 0.449 85 D N -0.443 120.001 120.400 0.074 0.000 2.116 85 D HA -0.199 4.441 4.640 -0.001 0.000 0.193 85 D C 1.867 178.190 176.300 0.039 0.000 0.998 85 D CA 1.745 55.783 54.000 0.063 0.000 0.836 85 D CB -0.286 40.532 40.800 0.030 0.000 0.951 85 D HN 0.754 nan 8.370 nan 0.000 0.449 86 E N -0.055 120.154 120.200 0.016 0.000 2.150 86 E HA -0.086 4.264 4.350 -0.001 0.000 0.193 86 E C 2.110 178.732 176.600 0.036 0.000 0.985 86 E CA 1.045 57.450 56.400 0.009 0.000 0.814 86 E CB -0.209 29.478 29.700 -0.023 0.000 0.752 86 E HN 0.248 nan 8.360 nan 0.000 0.466 87 G N 1.351 110.180 108.800 0.048 0.000 2.446 87 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.217 87 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.217 87 G C 1.569 176.565 174.900 0.160 0.000 1.168 87 G CA 0.956 46.108 45.100 0.087 0.000 0.771 87 G HN 0.257 nan 8.290 nan 0.000 0.551 88 I N 0.525 121.206 120.570 0.186 0.000 2.151 88 I HA -0.180 3.990 4.170 -0.001 0.000 0.243 88 I C 2.842 179.081 176.117 0.203 0.000 1.080 88 I CA 1.227 62.675 61.300 0.246 0.000 1.339 88 I CB -0.161 37.917 38.000 0.130 0.000 1.039 88 I HN 0.173 nan 8.210 nan 0.000 0.409 89 E N 0.716 120.984 120.200 0.112 0.000 2.031 89 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 89 E C 2.391 179.053 176.600 0.103 0.000 0.994 89 E CA 1.220 57.670 56.400 0.085 0.000 0.800 89 E CB -0.335 29.388 29.700 0.038 0.000 0.752 89 E HN 0.504 nan 8.360 nan 0.000 0.447 90 L N 0.681 121.960 121.223 0.093 0.000 2.043 90 L HA -0.233 4.107 4.340 -0.001 0.000 0.212 90 L C 2.697 179.645 176.870 0.130 0.000 1.075 90 L CA 0.983 55.870 54.840 0.080 0.000 0.752 90 L CB -0.606 41.490 42.059 0.061 0.000 0.891 90 L HN 0.124 nan 8.230 nan 0.000 0.432 91 L N -0.411 120.936 121.223 0.207 0.000 2.012 91 L HA -0.259 4.081 4.340 -0.001 0.000 0.210 91 L C 2.486 179.555 176.870 0.332 0.000 1.073 91 L CA 1.517 56.539 54.840 0.305 0.000 0.748 91 L CB -0.422 41.791 42.059 0.256 0.000 0.891 91 L HN 0.208 nan 8.230 nan 0.000 0.431 92 I N -0.803 119.927 120.570 0.267 0.000 2.252 92 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 92 I C 2.787 178.990 176.117 0.143 0.000 1.102 92 I CA 1.069 62.503 61.300 0.223 0.000 1.385 92 I CB -0.370 37.747 38.000 0.195 0.000 1.064 92 I HN 0.220 nan 8.210 nan 0.000 0.414 93 R N 1.184 121.741 120.500 0.094 0.000 2.127 93 R HA -0.181 4.159 4.340 -0.001 0.000 0.238 93 R C 2.134 178.419 176.300 -0.026 0.000 1.134 93 R CA 1.654 57.773 56.100 0.031 0.000 0.975 93 R CB -0.101 30.210 30.300 0.018 0.000 0.865 93 R HN 0.404 nan 8.270 nan 0.000 0.447 94 A N -1.078 121.701 122.820 -0.069 0.000 1.997 94 A HA 0.111 4.431 4.320 -0.001 0.000 0.212 94 A C 1.329 178.629 177.584 -0.474 0.000 1.178 94 A CA 0.320 52.164 52.037 -0.321 0.000 0.698 94 A CB 0.102 18.794 19.000 -0.514 0.000 0.842 94 A HN 0.342 nan 8.150 nan 0.000 0.458 95 F N -1.303 118.663 119.950 0.027 0.000 2.727 95 F HA 0.217 4.744 4.527 -0.000 0.000 0.302 95 F C 0.444 176.260 175.800 0.027 0.000 1.107 95 F CA -0.486 57.528 58.000 0.023 0.000 1.277 95 F CB 0.324 39.334 39.000 0.017 0.000 1.079 95 F HN -0.034 nan 8.300 nan 0.000 0.594 96 C N 1.639 121.054 119.300 0.191 0.000 2.239 96 C HA 0.437 4.896 4.460 -0.001 0.000 0.325 96 C C 0.397 175.435 174.990 0.081 0.000 1.231 96 C CA -0.919 58.179 59.018 0.133 0.000 1.652 96 C CB -0.400 27.423 27.740 0.138 0.000 2.284 96 C HN 0.140 nan 8.230 nan 0.000 0.499 97 E N 4.609 124.849 120.200 0.067 0.000 2.257 97 E HA 0.257 4.607 4.350 -0.001 0.000 0.278 97 E C -2.391 174.235 176.600 0.043 0.000 1.049 97 E CA -1.759 54.667 56.400 0.043 0.000 0.876 97 E CB 0.436 30.158 29.700 0.037 0.000 1.035 97 E HN 0.398 nan 8.360 nan 0.000 0.419 98 P HA 0.084 nan 4.420 nan 0.000 0.264 98 P C 0.454 177.772 177.300 0.029 0.000 1.193 98 P CA 1.107 64.227 63.100 0.033 0.000 0.763 98 P CB 0.807 32.523 31.700 0.025 0.000 0.810 99 G N 2.495 111.314 108.800 0.031 0.000 2.212 99 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.266 99 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.266 99 G C 0.930 175.846 174.900 0.027 0.000 0.978 99 G CA 0.829 45.944 45.100 0.026 0.000 0.632 99 G HN 0.618 nan 8.290 nan 0.000 0.537 100 K N -0.329 120.090 120.400 0.032 0.000 2.354 100 K HA 0.149 4.469 4.320 -0.001 0.000 0.210 100 K C -0.006 176.617 176.600 0.038 0.000 1.184 100 K CA 0.384 56.690 56.287 0.031 0.000 0.880 100 K CB 0.450 32.967 32.500 0.029 0.000 1.328 100 K HN 0.250 nan 8.250 nan 0.000 0.466 101 D N 0.554 120.983 120.400 0.048 0.000 2.388 101 D HA 0.432 5.072 4.640 -0.001 0.000 0.254 101 D C -0.657 175.683 176.300 0.067 0.000 1.111 101 D CA -0.157 53.878 54.000 0.058 0.000 0.993 101 D CB 1.768 42.611 40.800 0.072 0.000 1.118 101 D HN 0.363 nan 8.370 nan 0.000 0.502 102 A N 0.038 122.901 122.820 0.072 0.000 2.527 102 A HA 0.726 5.046 4.320 -0.001 0.000 0.293 102 A C -0.484 177.166 177.584 0.110 0.000 1.117 102 A CA -0.769 51.321 52.037 0.088 0.000 0.723 102 A CB 1.148 20.191 19.000 0.071 0.000 1.313 102 A HN 0.575 nan 8.150 nan 0.000 0.411 103 I N -1.594 119.070 120.570 0.158 0.000 3.100 103 I HA 0.903 5.073 4.170 -0.001 0.000 0.312 103 I C -0.939 175.308 176.117 0.217 0.000 1.063 103 I CA -1.165 60.262 61.300 0.213 0.000 1.031 103 I CB 1.876 40.081 38.000 0.341 0.000 1.243 103 I HN 0.673 nan 8.210 nan 0.000 0.483 104 L N 3.386 124.756 121.223 0.245 0.000 2.505 104 L HA 0.573 4.913 4.340 -0.001 0.000 0.266 104 L C -1.738 175.296 176.870 0.275 0.000 0.954 104 L CA -0.424 54.521 54.840 0.175 0.000 0.852 104 L CB 1.957 44.052 42.059 0.060 0.000 1.282 104 L HN 0.832 nan 8.230 nan 0.000 0.403 105 Y N 1.870 122.231 120.300 0.101 0.000 2.609 105 Y HA 0.771 5.320 4.550 -0.000 0.000 0.342 105 Y C -1.092 174.863 175.900 0.092 0.000 1.058 105 Y CA -1.830 56.337 58.100 0.111 0.000 1.055 105 Y CB 1.258 39.834 38.460 0.193 0.000 1.292 105 Y HN 0.408 nan 8.280 nan 0.000 0.476 106 C N 2.899 122.306 119.300 0.178 0.000 2.362 106 C HA 0.526 4.986 4.460 -0.001 0.000 0.309 106 C C -2.547 172.529 174.990 0.144 0.000 1.110 106 C CA -1.496 57.566 59.018 0.075 0.000 1.485 106 C CB -0.165 27.611 27.740 0.059 0.000 1.949 106 C HN 0.541 nan 8.230 nan 0.000 0.419 107 P HA 0.204 nan 4.420 nan 0.000 0.269 107 P C -2.452 174.914 177.300 0.110 0.000 1.215 107 P CA -0.758 62.420 63.100 0.130 0.000 0.780 107 P CB 0.148 31.901 31.700 0.087 0.000 0.898 108 P HA 0.175 nan 4.420 nan 0.000 0.286 108 P C -0.592 176.715 177.300 0.012 0.000 1.269 108 P CA 0.239 63.354 63.100 0.025 0.000 0.787 108 P CB 1.097 32.766 31.700 -0.052 0.000 0.920 109 T N 1.562 116.160 114.554 0.073 0.000 2.648 109 T HA 0.211 4.561 4.350 -0.001 0.000 0.304 109 T C -1.316 173.431 174.700 0.079 0.000 1.312 109 T CA -0.649 61.517 62.100 0.110 0.000 1.023 109 T CB 0.050 69.082 68.868 0.273 0.000 1.612 109 T HN 0.274 nan 8.240 nan 0.000 0.487 110 Y N 0.509 120.736 120.300 -0.121 0.000 2.811 110 Y HA 0.297 4.846 4.550 -0.001 0.000 0.334 110 Y C 1.528 177.110 175.900 -0.530 0.000 1.247 110 Y CA 0.396 58.273 58.100 -0.372 0.000 1.526 110 Y CB 0.598 38.717 38.460 -0.570 0.000 1.284 110 Y HN 0.755 nan 8.280 nan 0.000 0.586 111 G N 5.170 113.565 108.800 -0.675 0.000 2.712 111 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.212 111 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.212 111 G C 1.150 175.547 174.900 -0.839 0.000 1.142 111 G CA 0.068 44.782 45.100 -0.643 0.000 0.789 111 G HN 0.598 nan 8.290 nan 0.000 0.535 112 M N 0.156 118.959 119.600 -1.329 0.000 2.229 112 M HA 0.071 4.551 4.480 -0.001 0.000 0.264 112 M C 2.126 178.048 176.300 -0.631 0.000 1.063 112 M CA 0.426 55.178 55.300 -0.913 0.000 1.114 112 M CB -1.310 30.747 32.600 -0.905 0.000 1.387 112 M HN 0.478 nan 8.290 nan 0.000 0.420 113 Y N -0.482 119.439 120.300 -0.631 0.000 2.053 113 Y HA -0.292 4.257 4.550 -0.001 0.000 0.277 113 Y C 3.020 178.572 175.900 -0.581 0.000 1.159 113 Y CA 1.418 59.063 58.100 -0.759 0.000 1.125 113 Y CB -1.042 36.868 38.460 -0.916 0.000 0.969 113 Y HN 0.263 nan 8.280 nan 0.000 0.492 114 S N 0.046 115.418 115.700 -0.548 0.000 2.353 114 S HA -0.188 4.282 4.470 -0.001 0.000 0.222 114 S C 2.134 176.624 174.600 -0.182 0.000 1.035 114 S CA 1.470 59.469 58.200 -0.335 0.000 1.025 114 S CB -0.786 62.235 63.200 -0.299 0.000 0.902 114 S HN 0.218 nan 8.310 nan 0.000 0.440 115 V N 1.414 121.185 119.914 -0.238 0.000 2.282 115 V HA -0.185 3.934 4.120 -0.001 0.000 0.249 115 V C 2.696 178.717 176.094 -0.121 0.000 1.057 115 V CA 2.365 64.561 62.300 -0.173 0.000 1.032 115 V CB -1.142 30.547 31.823 -0.222 0.000 0.645 115 V HN 0.494 nan 8.190 nan 0.000 0.447 116 S N -0.179 115.440 115.700 -0.135 0.000 2.356 116 S HA -0.161 4.309 4.470 -0.001 0.000 0.223 116 S C 2.222 176.808 174.600 -0.023 0.000 1.032 116 S CA 1.438 59.596 58.200 -0.070 0.000 1.005 116 S CB -0.558 62.605 63.200 -0.061 0.000 0.867 116 S HN 0.665 nan 8.310 nan 0.000 0.449 117 A N 1.319 124.132 122.820 -0.012 0.000 1.883 117 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 117 A C 2.050 179.651 177.584 0.029 0.000 1.186 117 A CA 1.767 53.828 52.037 0.040 0.000 0.624 117 A CB -0.664 18.385 19.000 0.081 0.000 0.822 117 A HN 0.577 nan 8.150 nan 0.000 0.444 118 E N -0.897 119.308 120.200 0.009 0.000 2.110 118 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 118 E C 1.969 178.569 176.600 -0.000 0.000 0.988 118 E CA 1.603 58.009 56.400 0.009 0.000 0.804 118 E CB -0.086 29.613 29.700 -0.002 0.000 0.745 118 E HN 0.617 nan 8.360 nan 0.000 0.458 119 T N 1.029 115.575 114.554 -0.013 0.000 2.777 119 T HA -0.086 4.264 4.350 -0.001 0.000 0.266 119 T C 1.907 176.607 174.700 -0.001 0.000 1.040 119 T CA 1.052 63.145 62.100 -0.013 0.000 1.141 119 T CB -0.112 68.742 68.868 -0.025 0.000 0.868 119 T HN 0.172 nan 8.240 nan 0.000 0.444 120 I N 0.510 121.084 120.570 0.007 0.000 2.439 120 I HA 0.074 4.244 4.170 -0.001 0.000 0.251 120 I C 1.857 177.987 176.117 0.021 0.000 1.139 120 I CA 1.017 62.327 61.300 0.017 0.000 1.438 120 I CB -0.260 37.758 38.000 0.029 0.000 1.085 120 I HN 0.502 nan 8.210 nan 0.000 0.427 121 G N 0.970 109.785 108.800 0.025 0.000 2.181 121 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.152 121 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.152 121 G C -0.233 174.690 174.900 0.039 0.000 1.026 121 G CA -0.454 44.663 45.100 0.027 0.000 0.699 121 G HN 0.083 nan 8.290 nan 0.000 0.497 122 V N 0.753 120.698 119.914 0.052 0.000 2.459 122 V HA 0.480 4.600 4.120 -0.001 0.000 0.295 122 V C 0.841 176.981 176.094 0.078 0.000 1.029 122 V CA -0.904 61.437 62.300 0.068 0.000 0.874 122 V CB 1.910 33.786 31.823 0.089 0.000 0.985 122 V HN 0.451 nan 8.190 nan 0.000 0.438 123 E N 2.585 122.829 120.200 0.073 0.000 2.502 123 E HA -0.018 4.331 4.350 -0.001 0.000 0.261 123 E C -0.986 175.681 176.600 0.112 0.000 0.974 123 E CA -0.130 56.315 56.400 0.076 0.000 0.936 123 E CB 0.489 30.224 29.700 0.059 0.000 0.926 123 E HN 0.761 nan 8.360 nan 0.000 0.459 124 C N 5.575 124.951 119.300 0.127 0.000 2.223 124 C HA 0.378 4.838 4.460 -0.001 0.000 0.324 124 C C 0.313 175.361 174.990 0.096 0.000 1.196 124 C CA -0.658 58.486 59.018 0.211 0.000 1.628 124 C CB -0.364 27.566 27.740 0.317 0.000 2.229 124 C HN 0.662 nan 8.230 nan 0.000 0.486 125 R N 2.324 122.859 120.500 0.057 0.000 2.368 125 R HA 0.619 4.958 4.340 -0.001 0.000 0.302 125 R C 0.212 176.386 176.300 -0.209 0.000 1.002 125 R CA 0.240 56.314 56.100 -0.043 0.000 0.929 125 R CB 0.857 31.153 30.300 -0.008 0.000 1.073 125 R HN 0.819 nan 8.270 nan 0.000 0.464 126 T N -0.370 114.038 114.554 -0.243 0.000 2.893 126 T HA 0.640 4.990 4.350 -0.001 0.000 0.291 126 T C -0.948 173.641 174.700 -0.185 0.000 1.028 126 T CA -0.817 61.064 62.100 -0.365 0.000 0.995 126 T CB 1.759 70.361 68.868 -0.442 0.000 1.051 126 T HN 0.208 nan 8.240 nan 0.000 0.470 127 V N 3.102 122.922 119.914 -0.156 0.000 2.501 127 V HA 0.372 4.491 4.120 -0.001 0.000 0.277 127 V C -2.654 173.408 176.094 -0.053 0.000 1.004 127 V CA -1.734 60.519 62.300 -0.079 0.000 0.862 127 V CB 1.276 33.067 31.823 -0.054 0.000 1.035 127 V HN 0.782 nan 8.190 nan 0.000 0.448 128 P HA 0.106 nan 4.420 nan 0.000 0.266 128 P C 0.509 177.823 177.300 0.023 0.000 1.193 128 P CA 0.431 63.534 63.100 0.005 0.000 0.770 128 P CB 0.360 32.065 31.700 0.008 0.000 0.836 129 T N 0.432 115.028 114.554 0.070 0.000 2.788 129 T HA 0.353 4.702 4.350 -0.001 0.000 0.287 129 T C 0.726 175.447 174.700 0.035 0.000 1.007 129 T CA -0.785 61.358 62.100 0.072 0.000 1.005 129 T CB 0.154 69.117 68.868 0.159 0.000 1.012 129 T HN 0.095 nan 8.240 nan 0.000 0.530 130 L N 0.634 121.852 121.223 -0.009 0.000 2.425 130 L HA 0.142 4.482 4.340 -0.001 0.000 0.225 130 L C 1.841 178.612 176.870 -0.166 0.000 1.222 130 L CA -0.576 54.223 54.840 -0.068 0.000 0.832 130 L CB 0.001 42.018 42.059 -0.071 0.000 1.238 130 L HN 0.679 nan 8.230 nan 0.000 0.533 131 D N 0.194 120.466 120.400 -0.213 0.000 2.178 131 D HA -0.136 4.504 4.640 -0.001 0.000 0.201 131 D C 1.266 177.159 176.300 -0.678 0.000 0.980 131 D CA 1.338 55.124 54.000 -0.357 0.000 0.842 131 D CB -0.293 40.362 40.800 -0.242 0.000 0.948 131 D HN 0.559 nan 8.370 nan 0.000 0.472 132 N N -0.617 117.790 118.700 -0.488 0.000 2.268 132 N HA -0.113 4.627 4.740 -0.001 0.000 0.204 132 N C 0.007 175.336 175.510 -0.301 0.000 1.124 132 N CA -0.133 52.604 53.050 -0.522 0.000 0.838 132 N CB -0.460 37.902 38.487 -0.209 0.000 0.994 132 N HN 0.186 nan 8.380 nan 0.000 0.489 133 W N -0.549 120.719 121.300 -0.053 0.000 2.560 133 W HA -0.208 4.452 4.660 0.000 0.000 0.279 133 W C -0.510 175.986 176.519 -0.039 0.000 1.090 133 W CA -0.040 57.274 57.345 -0.052 0.000 0.535 133 W CB -2.298 27.121 29.460 -0.069 0.000 2.121 133 W HN 0.232 nan 8.180 nan 0.000 1.314 134 Q N 0.474 120.328 119.800 0.090 0.000 2.249 134 Q HA 0.494 4.834 4.340 -0.001 0.000 0.226 134 Q C 0.906 176.910 176.000 0.007 0.000 0.983 134 Q CA -0.589 55.237 55.803 0.038 0.000 0.930 134 Q CB 0.643 29.385 28.738 0.008 0.000 1.193 134 Q HN 0.120 nan 8.270 nan 0.000 0.508 135 L N 1.393 122.592 121.223 -0.040 0.000 2.453 135 L HA 0.001 4.341 4.340 -0.001 0.000 0.272 135 L C 0.616 177.463 176.870 -0.039 0.000 1.182 135 L CA -0.188 54.619 54.840 -0.055 0.000 0.858 135 L CB 0.042 42.030 42.059 -0.119 0.000 1.120 135 L HN 0.520 nan 8.230 nan 0.000 0.474 136 D N 3.506 123.888 120.400 -0.030 0.000 2.558 136 D HA 0.136 4.776 4.640 -0.001 0.000 0.221 136 D C 1.087 177.371 176.300 -0.028 0.000 1.143 136 D CA -0.077 53.907 54.000 -0.026 0.000 1.010 136 D CB 0.399 41.186 40.800 -0.022 0.000 1.068 136 D HN 0.422 nan 8.370 nan 0.000 0.511 137 L N 1.587 122.792 121.223 -0.029 0.000 2.043 137 L HA -0.229 4.110 4.340 -0.001 0.000 0.212 137 L C 2.456 179.317 176.870 -0.016 0.000 1.075 137 L CA 1.335 56.160 54.840 -0.025 0.000 0.752 137 L CB -0.304 41.744 42.059 -0.019 0.000 0.891 137 L HN 0.459 nan 8.230 nan 0.000 0.432 138 Q N -0.188 119.603 119.800 -0.014 0.000 2.119 138 Q HA -0.159 4.180 4.340 -0.001 0.000 0.201 138 Q C 2.174 178.166 176.000 -0.013 0.000 0.972 138 Q CA 1.585 57.382 55.803 -0.011 0.000 0.847 138 Q CB -0.197 28.535 28.738 -0.010 0.000 0.903 138 Q HN 0.521 nan 8.270 nan 0.000 0.433 139 G N 1.034 109.824 108.800 -0.017 0.000 2.418 139 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 139 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 139 G C 1.393 176.281 174.900 -0.019 0.000 1.158 139 G CA 0.811 45.900 45.100 -0.019 0.000 0.771 139 G HN 0.363 nan 8.290 nan 0.000 0.545 140 I N 1.780 122.339 120.570 -0.020 0.000 2.286 140 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 140 I C 3.163 179.273 176.117 -0.011 0.000 1.115 140 I CA 1.458 62.748 61.300 -0.018 0.000 1.392 140 I CB -0.192 37.795 38.000 -0.020 0.000 1.065 140 I HN 0.349 nan 8.210 nan 0.000 0.418 141 S N 0.129 115.824 115.700 -0.008 0.000 2.419 141 S HA -0.191 4.279 4.470 -0.001 0.000 0.233 141 S C 1.415 176.012 174.600 -0.004 0.000 1.016 141 S CA 1.352 59.550 58.200 -0.004 0.000 0.974 141 S CB -0.375 62.824 63.200 -0.001 0.000 0.786 141 S HN 0.404 nan 8.310 nan 0.000 0.492 142 D N 1.442 121.838 120.400 -0.007 0.000 2.349 142 D HA 0.138 4.778 4.640 -0.001 0.000 0.215 142 D C 0.599 176.894 176.300 -0.007 0.000 1.016 142 D CA 0.579 54.575 54.000 -0.007 0.000 0.870 142 D CB 0.081 40.876 40.800 -0.008 0.000 0.917 142 D HN 0.577 nan 8.370 nan 0.000 0.524 143 K N 0.307 120.702 120.400 -0.009 0.000 2.792 143 K HA 0.301 4.620 4.320 -0.001 0.000 0.207 143 K C 1.014 177.611 176.600 -0.004 0.000 1.103 143 K CA -0.048 56.234 56.287 -0.009 0.000 1.048 143 K CB 1.015 33.505 32.500 -0.016 0.000 0.777 143 K HN -0.054 nan 8.250 nan 0.000 0.468 144 L N 0.479 121.701 121.223 -0.002 0.000 2.567 144 L HA 0.083 4.423 4.340 -0.001 0.000 0.225 144 L C -0.141 176.731 176.870 0.004 0.000 1.119 144 L CA 0.287 55.127 54.840 0.001 0.000 0.871 144 L CB 0.113 42.172 42.059 -0.001 0.000 1.036 144 L HN 0.197 nan 8.230 nan 0.000 0.459 145 D N 0.740 121.142 120.400 0.004 0.000 2.389 145 D HA 0.278 4.918 4.640 -0.001 0.000 0.263 145 D C 1.102 177.409 176.300 0.012 0.000 1.255 145 D CA 1.425 55.429 54.000 0.006 0.000 0.914 145 D CB 0.575 41.378 40.800 0.005 0.000 1.116 145 D HN 0.291 nan 8.370 nan 0.000 0.502 146 G N 1.663 110.472 108.800 0.015 0.000 2.195 146 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.246 146 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.246 146 G C 0.394 175.312 174.900 0.031 0.000 0.984 146 G CA -0.073 45.041 45.100 0.024 0.000 0.633 146 G HN 0.528 nan 8.290 nan 0.000 0.525 147 V N 1.512 121.441 119.914 0.025 0.000 2.530 147 V HA 0.473 4.592 4.120 -0.001 0.000 0.282 147 V C 1.173 177.278 176.094 0.018 0.000 1.048 147 V CA 0.306 62.623 62.300 0.029 0.000 0.997 147 V CB 1.637 33.472 31.823 0.020 0.000 0.987 147 V HN 0.209 nan 8.190 nan 0.000 0.477 148 K N 2.810 123.226 120.400 0.027 0.000 2.436 148 K HA 0.312 4.632 4.320 -0.001 0.000 0.198 148 K C -0.341 176.220 176.600 -0.065 0.000 1.174 148 K CA 0.530 56.823 56.287 0.009 0.000 0.951 148 K CB 1.401 33.950 32.500 0.082 0.000 1.040 148 K HN 0.464 nan 8.250 nan 0.000 0.536 149 V N 1.832 121.715 119.914 -0.052 0.000 2.638 149 V HA 0.371 4.490 4.120 -0.001 0.000 0.306 149 V C -0.659 175.329 176.094 -0.176 0.000 1.052 149 V CA -0.994 61.198 62.300 -0.180 0.000 0.885 149 V CB 2.426 34.129 31.823 -0.200 0.000 0.999 149 V HN -0.263 nan 8.190 nan 0.000 0.424 150 V N 4.842 124.600 119.914 -0.259 0.000 2.409 150 V HA 0.502 4.621 4.120 -0.001 0.000 0.291 150 V C -1.103 174.813 176.094 -0.297 0.000 1.020 150 V CA -0.718 61.489 62.300 -0.156 0.000 0.848 150 V CB 1.486 33.270 31.823 -0.063 0.000 0.990 150 V HN 0.748 nan 8.190 nan 0.000 0.430 151 Y N 3.220 123.443 120.300 -0.127 0.000 2.342 151 Y HA 0.710 5.259 4.550 -0.001 0.000 0.334 151 Y C 0.062 175.853 175.900 -0.180 0.000 1.067 151 Y CA -0.778 57.134 58.100 -0.313 0.000 1.128 151 Y CB 2.026 39.919 38.460 -0.945 0.000 1.200 151 Y HN 0.349 nan 8.280 nan 0.000 0.464 152 V N 2.864 122.820 119.914 0.069 0.000 2.567 152 V HA 0.182 4.302 4.120 -0.001 0.000 0.298 152 V C -0.946 175.294 176.094 0.244 0.000 1.047 152 V CA -1.078 61.310 62.300 0.146 0.000 0.880 152 V CB 1.750 33.645 31.823 0.120 0.000 1.009 152 V HN 0.938 nan 8.190 nan 0.000 0.429 153 C N 4.508 123.970 119.300 0.270 0.000 2.325 153 C HA 0.782 5.242 4.460 -0.001 0.000 0.347 153 C C 0.523 175.665 174.990 0.254 0.000 1.263 153 C CA 0.210 59.411 59.018 0.303 0.000 1.806 153 C CB -0.026 27.926 27.740 0.353 0.000 2.405 153 C HN 0.978 nan 8.230 nan 0.000 0.537 154 S N 7.823 123.680 115.700 0.262 0.000 2.689 154 S HA 0.555 5.024 4.470 -0.001 0.000 0.274 154 S C -2.864 171.856 174.600 0.200 0.000 1.176 154 S CA -0.718 57.625 58.200 0.237 0.000 1.014 154 S CB 1.641 65.049 63.200 0.347 0.000 1.071 154 S HN 0.754 nan 8.310 nan 0.000 0.478 155 P HA 0.080 nan 4.420 nan 0.000 0.269 155 P C -0.593 176.803 177.300 0.160 0.000 1.209 155 P CA -0.291 62.899 63.100 0.150 0.000 0.776 155 P CB 0.383 32.138 31.700 0.092 0.000 0.876 156 N N 2.596 121.363 118.700 0.113 0.000 2.530 156 N HA 0.009 4.748 4.740 -0.001 0.000 0.273 156 N C -0.415 175.124 175.510 0.049 0.000 1.173 156 N CA -0.223 52.883 53.050 0.092 0.000 0.967 156 N CB 0.292 38.807 38.487 0.047 0.000 1.109 156 N HN 0.326 nan 8.380 nan 0.000 0.453 157 N N 3.063 121.764 118.700 0.003 0.000 2.400 157 N HA 0.328 5.067 4.740 -0.001 0.000 0.288 157 N C -2.158 173.252 175.510 -0.168 0.000 1.024 157 N CA -2.144 50.794 53.050 -0.188 0.000 0.894 157 N CB 1.799 40.134 38.487 -0.253 0.000 1.173 157 N HN 0.402 nan 8.380 nan 0.000 0.487 158 P HA 0.091 nan 4.420 nan 0.000 0.261 158 P C 0.650 177.786 177.300 -0.273 0.000 1.268 158 P CA 0.363 63.241 63.100 -0.370 0.000 0.833 158 P CB 0.150 31.657 31.700 -0.321 0.000 1.231 159 T N -4.227 110.093 114.554 -0.391 0.000 2.951 159 T HA 0.125 4.475 4.350 -0.001 0.000 0.268 159 T C 1.784 176.348 174.700 -0.226 0.000 1.073 159 T CA 1.413 63.142 62.100 -0.619 0.000 1.134 159 T CB -1.065 67.042 68.868 -1.269 0.000 0.884 159 T HN 0.209 nan 8.240 nan 0.000 0.479 160 G N 1.154 109.944 108.800 -0.017 0.000 2.217 160 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.246 160 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.246 160 G C 0.114 174.992 174.900 -0.036 0.000 0.990 160 G CA 0.239 45.311 45.100 -0.047 0.000 0.627 160 G HN 1.000 nan 8.290 nan 0.000 0.522 161 Q N 1.384 121.205 119.800 0.036 0.000 2.221 161 Q HA 0.697 5.037 4.340 -0.001 0.000 0.242 161 Q C 0.104 176.159 176.000 0.092 0.000 0.940 161 Q CA -0.863 54.993 55.803 0.087 0.000 0.896 161 Q CB 1.182 30.020 28.738 0.166 0.000 1.226 161 Q HN 0.468 nan 8.270 nan 0.000 0.463 162 L N 1.753 123.035 121.223 0.098 0.000 2.371 162 L HA 0.243 4.583 4.340 -0.001 0.000 0.272 162 L C 0.378 177.320 176.870 0.121 0.000 1.124 162 L CA -0.729 54.180 54.840 0.115 0.000 0.816 162 L CB 0.617 42.740 42.059 0.108 0.000 1.129 162 L HN 0.562 nan 8.230 nan 0.000 0.448 163 I N 3.007 123.661 120.570 0.140 0.000 2.474 163 I HA 0.002 4.172 4.170 -0.001 0.000 0.287 163 I C 0.658 176.841 176.117 0.109 0.000 1.048 163 I CA -0.117 61.224 61.300 0.069 0.000 1.383 163 I CB 0.662 38.615 38.000 -0.077 0.000 1.412 163 I HN 0.603 nan 8.210 nan 0.000 0.531 164 N N 9.569 128.306 118.700 0.062 0.000 2.332 164 N HA -0.047 4.693 4.740 -0.001 0.000 0.274 164 N C -1.373 174.243 175.510 0.177 0.000 1.351 164 N CA -0.704 52.405 53.050 0.099 0.000 0.875 164 N CB 0.992 39.512 38.487 0.055 0.000 1.140 164 N HN 0.364 nan 8.380 nan 0.000 0.489 165 P HA -0.211 nan 4.420 nan 0.000 0.216 165 P C 0.869 178.424 177.300 0.425 0.000 1.153 165 P CA 1.445 64.799 63.100 0.424 0.000 0.858 165 P CB 0.327 32.273 31.700 0.410 0.000 0.789 166 Q N -0.455 119.499 119.800 0.258 0.000 2.197 166 Q HA -0.182 4.157 4.340 -0.001 0.000 0.207 166 Q C 1.731 177.825 176.000 0.156 0.000 0.984 166 Q CA 1.597 57.509 55.803 0.182 0.000 0.869 166 Q CB -0.436 28.370 28.738 0.113 0.000 0.906 166 Q HN 0.341 nan 8.270 nan 0.000 0.426 167 D N -0.560 119.911 120.400 0.118 0.000 2.234 167 D HA -0.065 4.575 4.640 -0.001 0.000 0.205 167 D C 1.324 177.653 176.300 0.048 0.000 0.962 167 D CA 0.646 54.668 54.000 0.036 0.000 0.855 167 D CB -0.175 40.594 40.800 -0.052 0.000 0.951 167 D HN 0.194 nan 8.370 nan 0.000 0.500 168 F N 1.240 121.248 119.950 0.097 0.000 2.186 168 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 168 F C 2.384 178.241 175.800 0.094 0.000 1.090 168 F CA 0.611 58.656 58.000 0.074 0.000 1.307 168 F CB 0.286 39.319 39.000 0.054 0.000 1.019 168 F HN -0.175 nan 8.300 nan 0.000 0.489 169 R N -0.100 120.616 120.500 0.361 0.000 2.080 169 R HA -0.130 4.210 4.340 -0.001 0.000 0.236 169 R C 2.084 178.453 176.300 0.116 0.000 1.137 169 R CA 1.937 58.149 56.100 0.188 0.000 0.943 169 R CB -1.621 28.763 30.300 0.140 0.000 0.846 169 R HN 0.216 nan 8.270 nan 0.000 0.431 170 T N 2.486 117.102 114.554 0.104 0.000 2.652 170 T HA -0.158 4.192 4.350 -0.001 0.000 0.267 170 T C 1.900 176.636 174.700 0.059 0.000 1.039 170 T CA 1.392 63.533 62.100 0.068 0.000 1.153 170 T CB -0.411 68.483 68.868 0.043 0.000 0.863 170 T HN 0.104 nan 8.240 nan 0.000 0.428 171 L N 0.882 122.133 121.223 0.047 0.000 2.079 171 L HA -0.013 4.326 4.340 -0.001 0.000 0.210 171 L C 2.134 179.044 176.870 0.066 0.000 1.081 171 L CA 1.582 56.444 54.840 0.037 0.000 0.752 171 L CB -0.692 41.370 42.059 0.004 0.000 0.896 171 L HN 0.266 nan 8.230 nan 0.000 0.433 172 L N -0.878 120.370 121.223 0.041 0.000 2.141 172 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 172 L C 2.504 179.498 176.870 0.207 0.000 1.094 172 L CA 1.088 55.921 54.840 -0.012 0.000 0.763 172 L CB -0.415 41.343 42.059 -0.503 0.000 0.908 172 L HN 0.320 nan 8.230 nan 0.000 0.437 173 E N 0.566 120.857 120.200 0.150 0.000 2.112 173 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 173 E C 2.168 178.832 176.600 0.106 0.000 0.979 173 E CA 1.037 57.532 56.400 0.159 0.000 0.814 173 E CB -0.131 29.641 29.700 0.121 0.000 0.762 173 E HN 0.356 nan 8.360 nan 0.000 0.460 174 L N 0.212 121.484 121.223 0.081 0.000 2.201 174 L HA -0.098 4.241 4.340 -0.001 0.000 0.212 174 L C 2.121 179.013 176.870 0.037 0.000 1.105 174 L CA 1.692 56.560 54.840 0.047 0.000 0.775 174 L CB -0.477 41.602 42.059 0.033 0.000 0.913 174 L HN 0.288 nan 8.230 nan 0.000 0.440 175 T N -3.832 110.767 114.554 0.074 0.000 3.086 175 T HA 0.003 4.353 4.350 -0.001 0.000 0.250 175 T C 1.043 175.650 174.700 -0.156 0.000 1.074 175 T CA -0.435 61.684 62.100 0.032 0.000 0.988 175 T CB -0.103 68.841 68.868 0.126 0.000 0.988 175 T HN 0.099 nan 8.240 nan 0.000 0.530 176 R N 1.406 121.815 120.500 -0.152 0.000 2.486 176 R HA 0.277 4.617 4.340 -0.001 0.000 0.303 176 R C 1.415 177.530 176.300 -0.307 0.000 0.958 176 R CA 1.266 57.108 56.100 -0.430 0.000 1.077 176 R CB -0.603 29.661 30.300 -0.061 0.000 0.921 176 R HN 0.557 nan 8.270 nan 0.000 0.406 177 G N 3.505 112.077 108.800 -0.380 0.000 2.166 177 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.260 177 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.260 177 G C 0.452 175.275 174.900 -0.128 0.000 0.986 177 G CA 0.925 45.916 45.100 -0.182 0.000 0.683 177 G HN 0.714 nan 8.290 nan 0.000 0.527 178 K N -1.085 119.224 120.400 -0.151 0.000 2.485 178 K HA 0.634 4.954 4.320 -0.001 0.000 0.200 178 K C 0.730 177.286 176.600 -0.073 0.000 1.352 178 K CA 0.723 56.962 56.287 -0.080 0.000 0.953 178 K CB 1.064 33.531 32.500 -0.055 0.000 1.387 178 K HN 0.908 nan 8.250 nan 0.000 0.512 179 A N 0.888 123.651 122.820 -0.095 0.000 2.609 179 A HA 0.562 4.881 4.320 -0.001 0.000 0.291 179 A C -1.532 176.009 177.584 -0.071 0.000 1.096 179 A CA -0.757 51.226 52.037 -0.089 0.000 0.684 179 A CB 1.077 20.044 19.000 -0.055 0.000 1.282 179 A HN -0.005 nan 8.150 nan 0.000 0.412 180 I N 1.406 121.856 120.570 -0.199 0.000 2.395 180 I HA 0.342 4.512 4.170 -0.001 0.000 0.289 180 I C -0.141 175.866 176.117 -0.183 0.000 1.023 180 I CA -0.348 60.816 61.300 -0.226 0.000 1.350 180 I CB 1.002 38.679 38.000 -0.539 0.000 1.409 180 I HN 0.274 nan 8.210 nan 0.000 0.507 181 V N 7.303 127.137 119.914 -0.134 0.000 2.370 181 V HA 0.319 4.439 4.120 -0.001 0.000 0.279 181 V C 0.110 176.092 176.094 -0.187 0.000 1.029 181 V CA -0.630 61.585 62.300 -0.142 0.000 0.870 181 V CB 1.955 33.722 31.823 -0.092 0.000 0.984 181 V HN 0.433 nan 8.190 nan 0.000 0.451 182 V N 4.727 124.501 119.914 -0.232 0.000 2.334 182 V HA 0.635 4.755 4.120 -0.001 0.000 0.281 182 V C 0.457 176.521 176.094 -0.051 0.000 1.016 182 V CA -0.608 61.578 62.300 -0.191 0.000 0.832 182 V CB 1.506 33.120 31.823 -0.349 0.000 0.999 182 V HN 0.931 nan 8.190 nan 0.000 0.439 183 A N 3.330 126.122 122.820 -0.047 0.000 2.279 183 A HA 0.454 4.774 4.320 -0.001 0.000 0.306 183 A C -0.012 177.610 177.584 0.064 0.000 1.300 183 A CA -0.359 51.678 52.037 -0.001 0.000 0.925 183 A CB 0.219 19.059 19.000 -0.266 0.000 1.152 183 A HN 0.765 nan 8.150 nan 0.000 0.544 184 D N 2.839 123.341 120.400 0.170 0.000 2.374 184 D HA 0.100 4.740 4.640 -0.001 0.000 0.240 184 D C 0.112 176.518 176.300 0.176 0.000 1.229 184 D CA 0.225 54.354 54.000 0.215 0.000 0.895 184 D CB 0.502 41.516 40.800 0.356 0.000 1.046 184 D HN 0.607 nan 8.370 nan 0.000 0.498 185 E N 2.633 122.905 120.200 0.120 0.000 2.405 185 E HA 0.173 4.522 4.350 -0.001 0.000 0.214 185 E C 1.209 177.875 176.600 0.110 0.000 1.101 185 E CA -0.394 56.075 56.400 0.114 0.000 1.254 185 E CB 0.666 30.397 29.700 0.051 0.000 1.240 185 E HN 0.504 nan 8.360 nan 0.000 0.439 186 A N 0.208 123.074 122.820 0.077 0.000 1.986 186 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 186 A C 1.092 178.476 177.584 -0.333 0.000 1.171 186 A CA 1.353 53.294 52.037 -0.160 0.000 0.640 186 A CB -0.353 18.453 19.000 -0.323 0.000 0.811 186 A HN 0.377 nan 8.150 nan 0.000 0.451 187 Y N -2.355 118.071 120.300 0.211 0.000 2.660 187 Y HA 0.319 4.869 4.550 -0.000 0.000 0.254 187 Y C 1.368 177.434 175.900 0.277 0.000 1.176 187 Y CA -0.828 57.466 58.100 0.324 0.000 1.195 187 Y CB -0.005 38.636 38.460 0.301 0.000 1.190 187 Y HN 0.231 nan 8.280 nan 0.000 0.535 188 I N 0.858 121.569 120.570 0.235 0.000 2.567 188 I HA -0.197 3.972 4.170 -0.001 0.000 0.257 188 I C 1.714 177.878 176.117 0.079 0.000 1.184 188 I CA 1.379 62.767 61.300 0.147 0.000 1.451 188 I CB -0.035 38.011 38.000 0.076 0.000 1.089 188 I HN 0.100 nan 8.210 nan 0.000 0.441 189 E N -0.224 119.973 120.200 -0.005 0.000 2.160 189 E HA -0.207 4.142 4.350 -0.001 0.000 0.195 189 E C 1.836 178.259 176.600 -0.295 0.000 0.991 189 E CA 1.461 57.741 56.400 -0.200 0.000 0.810 189 E CB -0.368 29.075 29.700 -0.428 0.000 0.742 189 E HN 0.569 nan 8.360 nan 0.000 0.466 190 F N -1.056 118.929 119.950 0.059 0.000 2.748 190 F HA 0.050 4.577 4.527 -0.001 0.000 0.299 190 F C 0.990 176.808 175.800 0.030 0.000 1.154 190 F CA 0.106 58.131 58.000 0.041 0.000 1.446 190 F CB 0.178 39.207 39.000 0.048 0.000 1.112 190 F HN 0.054 nan 8.300 nan 0.000 0.584 191 C N -2.677 116.717 119.300 0.157 0.000 3.181 191 C HA 0.310 4.770 4.460 -0.001 0.000 0.216 191 C C -1.185 173.838 174.990 0.055 0.000 1.834 191 C CA -1.862 57.218 59.018 0.102 0.000 1.208 191 C CB -0.630 27.177 27.740 0.112 0.000 2.103 191 C HN 0.021 nan 8.230 nan 0.000 0.579 192 P HA -0.284 nan 4.420 nan 0.000 0.217 192 P C 1.725 179.014 177.300 -0.018 0.000 1.148 192 P CA 2.134 65.227 63.100 -0.012 0.000 0.834 192 P CB 0.154 31.837 31.700 -0.028 0.000 0.783 193 Q N 0.174 119.976 119.800 0.004 0.000 2.500 193 Q HA -0.005 4.334 4.340 -0.001 0.000 0.213 193 Q C 1.578 177.588 176.000 0.017 0.000 0.974 193 Q CA 1.652 57.462 55.803 0.011 0.000 0.918 193 Q CB -1.069 27.685 28.738 0.027 0.000 0.980 193 Q HN 0.248 nan 8.270 nan 0.000 0.505 194 A N 0.553 123.377 122.820 0.006 0.000 2.308 194 A HA 0.193 4.513 4.320 -0.001 0.000 0.217 194 A C 0.996 178.519 177.584 -0.102 0.000 1.216 194 A CA 0.162 52.194 52.037 -0.007 0.000 0.864 194 A CB 0.058 19.075 19.000 0.028 0.000 0.902 194 A HN 0.315 nan 8.150 nan 0.000 0.499 195 S N -0.449 115.183 115.700 -0.113 0.000 2.566 195 S HA 0.254 4.724 4.470 -0.001 0.000 0.280 195 S C 0.822 175.189 174.600 -0.388 0.000 1.343 195 S CA -0.168 57.911 58.200 -0.201 0.000 1.036 195 S CB 0.192 63.306 63.200 -0.144 0.000 0.866 195 S HN 0.398 nan 8.310 nan 0.000 0.526 196 L N 3.446 124.330 121.223 -0.566 0.000 2.667 196 L HA 0.223 4.563 4.340 -0.001 0.000 0.232 196 L C 2.307 178.903 176.870 -0.456 0.000 1.138 196 L CA 0.318 54.564 54.840 -0.989 0.000 0.921 196 L CB -0.703 40.628 42.059 -1.213 0.000 1.180 196 L HN 0.842 nan 8.230 nan 0.000 0.487 197 A N 0.816 123.494 122.820 -0.235 0.000 1.986 197 A HA -0.162 4.158 4.320 -0.001 0.000 0.220 197 A C 2.193 179.787 177.584 0.017 0.000 1.171 197 A CA 1.891 53.874 52.037 -0.090 0.000 0.640 197 A CB -0.724 18.221 19.000 -0.092 0.000 0.811 197 A HN 0.447 nan 8.150 nan 0.000 0.451 198 G N -2.965 105.889 108.800 0.090 0.000 2.920 198 G HA2 0.030 3.990 3.960 -0.001 0.000 0.208 198 G HA3 0.030 3.990 3.960 -0.001 0.000 0.208 198 G C 0.841 175.942 174.900 0.336 0.000 1.159 198 G CA 0.326 45.537 45.100 0.186 0.000 0.784 198 G HN 0.592 nan 8.290 nan 0.000 0.535 199 W N 0.607 121.910 121.300 0.005 0.000 3.139 199 W HA 0.341 5.000 4.660 -0.001 0.000 0.260 199 W C 1.990 178.555 176.519 0.078 0.000 1.312 199 W CA -0.722 56.666 57.345 0.072 0.000 1.606 199 W CB -0.534 29.012 29.460 0.142 0.000 1.118 199 W HN 0.132 nan 8.180 nan 0.000 0.675 200 L N 0.620 121.985 121.223 0.237 0.000 2.081 200 L HA -0.261 4.079 4.340 -0.001 0.000 0.212 200 L C 2.549 179.465 176.870 0.077 0.000 1.080 200 L CA 1.694 56.619 54.840 0.141 0.000 0.754 200 L CB -1.212 40.898 42.059 0.083 0.000 0.893 200 L HN -0.027 nan 8.230 nan 0.000 0.433 201 A N 0.198 123.039 122.820 0.035 0.000 2.125 201 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 201 A C 2.027 179.551 177.584 -0.100 0.000 1.156 201 A CA 1.684 53.708 52.037 -0.023 0.000 0.671 201 A CB -0.407 18.575 19.000 -0.031 0.000 0.794 201 A HN 0.681 nan 8.150 nan 0.000 0.459 202 E N -2.336 117.741 120.200 -0.204 0.000 2.498 202 E HA 0.133 4.482 4.350 -0.001 0.000 0.203 202 E C -0.977 175.222 176.600 -0.669 0.000 1.013 202 E CA -0.222 55.889 56.400 -0.482 0.000 0.927 202 E CB 0.014 29.284 29.700 -0.717 0.000 1.012 202 E HN 0.677 nan 8.360 nan 0.000 0.482 203 Y N 0.463 120.780 120.300 0.029 0.000 2.373 203 Y HA 0.307 4.856 4.550 -0.001 0.000 0.327 203 Y C -2.140 173.777 175.900 0.028 0.000 1.036 203 Y CA -2.405 55.699 58.100 0.008 0.000 1.265 203 Y CB 2.192 40.590 38.460 -0.104 0.000 1.108 203 Y HN -0.087 nan 8.280 nan 0.000 0.471 204 P HA -0.132 nan 4.420 nan 0.000 0.226 204 P C 0.710 178.140 177.300 0.217 0.000 1.153 204 P CA 1.388 64.606 63.100 0.197 0.000 0.777 204 P CB 0.187 31.987 31.700 0.167 0.000 0.794 205 H N -2.283 116.827 119.070 0.066 0.000 2.542 205 H HA 0.282 4.838 4.556 -0.001 0.000 0.283 205 H C 0.102 175.407 175.328 -0.039 0.000 1.059 205 H CA -0.709 55.327 56.048 -0.020 0.000 1.162 205 H CB -0.574 29.160 29.762 -0.047 0.000 1.539 205 H HN 0.070 nan 8.280 nan 0.000 0.543 206 L N 2.047 123.178 121.223 -0.153 0.000 2.292 206 L HA 0.653 4.992 4.340 -0.001 0.000 0.284 206 L C -0.488 176.332 176.870 -0.082 0.000 1.065 206 L CA -0.506 54.236 54.840 -0.164 0.000 0.806 206 L CB 1.041 43.034 42.059 -0.110 0.000 1.175 206 L HN 0.316 nan 8.230 nan 0.000 0.431 207 A N 6.125 128.882 122.820 -0.104 0.000 2.401 207 A HA 0.857 5.177 4.320 -0.001 0.000 0.310 207 A C -1.083 176.464 177.584 -0.061 0.000 1.075 207 A CA -0.551 51.453 52.037 -0.056 0.000 0.746 207 A CB 1.075 20.045 19.000 -0.051 0.000 1.277 207 A HN 0.665 nan 8.150 nan 0.000 0.425 208 I N 1.702 122.261 120.570 -0.019 0.000 2.533 208 I HA 0.334 4.504 4.170 -0.001 0.000 0.290 208 I C -0.962 175.183 176.117 0.048 0.000 1.056 208 I CA -0.391 60.901 61.300 -0.013 0.000 1.057 208 I CB 1.957 39.932 38.000 -0.042 0.000 1.240 208 I HN 0.486 nan 8.210 nan 0.000 0.423 209 L N 6.212 127.481 121.223 0.076 0.000 2.289 209 L HA 0.587 4.927 4.340 -0.001 0.000 0.285 209 L C -0.092 176.840 176.870 0.104 0.000 1.049 209 L CA -0.648 54.258 54.840 0.110 0.000 0.804 209 L CB 0.806 42.963 42.059 0.163 0.000 1.195 209 L HN 0.490 nan 8.230 nan 0.000 0.428 210 R N 1.157 121.724 120.500 0.112 0.000 2.837 210 R HA 0.724 5.064 4.340 -0.001 0.000 0.271 210 R C -0.775 175.606 176.300 0.136 0.000 0.993 210 R CA -0.700 55.483 56.100 0.138 0.000 0.931 210 R CB 2.304 32.708 30.300 0.174 0.000 1.206 210 R HN 0.580 nan 8.270 nan 0.000 0.474 211 T N -0.126 114.515 114.554 0.145 0.000 2.821 211 T HA 0.456 4.806 4.350 -0.001 0.000 0.306 211 T C -0.128 174.661 174.700 0.149 0.000 1.313 211 T CA -0.553 61.613 62.100 0.110 0.000 1.012 211 T CB 1.113 69.993 68.868 0.020 0.000 1.298 211 T HN 0.410 nan 8.240 nan 0.000 0.502 212 L N 2.004 123.283 121.223 0.094 0.000 2.693 212 L HA 0.251 4.591 4.340 -0.001 0.000 0.235 212 L C 1.968 178.917 176.870 0.133 0.000 1.127 212 L CA -0.056 54.835 54.840 0.086 0.000 0.914 212 L CB 0.288 42.307 42.059 -0.066 0.000 1.193 212 L HN 0.529 nan 8.230 nan 0.000 0.502 213 S N -0.331 115.422 115.700 0.088 0.000 2.489 213 S HA 0.024 4.494 4.470 -0.001 0.000 0.228 213 S C 1.488 176.164 174.600 0.127 0.000 0.995 213 S CA 0.664 58.916 58.200 0.087 0.000 0.934 213 S CB 0.205 63.434 63.200 0.048 0.000 0.771 213 S HN 0.294 nan 8.310 nan 0.000 0.522 214 K N 1.790 122.268 120.400 0.130 0.000 3.038 214 K HA 0.474 4.793 4.320 -0.001 0.000 0.232 214 K C 2.295 179.042 176.600 0.246 0.000 1.124 214 K CA 0.760 57.167 56.287 0.200 0.000 1.232 214 K CB -1.427 31.134 32.500 0.102 0.000 1.767 214 K HN 0.125 nan 8.250 nan 0.000 0.463 215 A N 1.025 123.925 122.820 0.134 0.000 1.917 215 A HA -0.138 4.181 4.320 -0.001 0.000 0.219 215 A C 2.131 179.561 177.584 -0.257 0.000 1.182 215 A CA 1.691 53.624 52.037 -0.173 0.000 0.633 215 A CB -1.031 17.562 19.000 -0.678 0.000 0.819 215 A HN 0.310 nan 8.150 nan 0.000 0.448 216 F N -0.655 119.223 119.950 -0.120 0.000 2.641 216 F HA 0.207 4.733 4.527 -0.001 0.000 0.298 216 F C 1.699 177.443 175.800 -0.093 0.000 1.146 216 F CA 0.765 58.686 58.000 -0.132 0.000 1.464 216 F CB -0.177 38.762 39.000 -0.102 0.000 1.101 216 F HN 0.399 nan 8.300 nan 0.000 0.585 217 A N 0.376 123.256 122.820 0.100 0.000 2.783 217 A HA -0.241 4.078 4.320 -0.001 0.000 0.292 217 A C 0.432 178.122 177.584 0.176 0.000 1.495 217 A CA 0.947 53.080 52.037 0.160 0.000 0.787 217 A CB -2.182 16.829 19.000 0.018 0.000 1.017 217 A HN 0.466 nan 8.150 nan 0.000 0.516 218 L N -2.153 119.157 121.223 0.144 0.000 3.193 218 L HA 0.393 4.733 4.340 -0.001 0.000 0.305 218 L C 1.792 178.697 176.870 0.059 0.000 1.299 218 L CA 0.199 55.085 54.840 0.077 0.000 0.904 218 L CB 0.145 42.197 42.059 -0.012 0.000 1.331 218 L HN 0.543 nan 8.230 nan 0.000 0.588 219 A N 0.415 123.290 122.820 0.092 0.000 1.986 219 A HA -0.145 4.174 4.320 -0.001 0.000 0.220 219 A C 2.233 179.845 177.584 0.047 0.000 1.171 219 A CA 2.023 54.103 52.037 0.071 0.000 0.640 219 A CB -0.580 18.477 19.000 0.095 0.000 0.811 219 A HN 0.541 nan 8.150 nan 0.000 0.451 220 G N -0.468 108.365 108.800 0.055 0.000 2.470 220 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.220 220 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.220 220 G C 1.333 176.239 174.900 0.010 0.000 1.121 220 G CA 0.920 46.044 45.100 0.040 0.000 0.766 220 G HN 0.487 nan 8.290 nan 0.000 0.553 221 L N -0.770 120.446 121.223 -0.012 0.000 2.492 221 L HA 0.159 4.499 4.340 -0.001 0.000 0.223 221 L C 0.825 177.663 176.870 -0.053 0.000 1.132 221 L CA -0.290 54.522 54.840 -0.046 0.000 0.850 221 L CB -0.101 41.905 42.059 -0.088 0.000 0.966 221 L HN 0.055 nan 8.230 nan 0.000 0.454 222 R N -0.071 120.406 120.500 -0.038 0.000 3.251 222 R HA -0.205 4.134 4.340 -0.001 0.000 0.249 222 R C -0.581 175.662 176.300 -0.095 0.000 0.949 222 R CA 0.369 56.440 56.100 -0.048 0.000 0.645 222 R CB -2.918 27.359 30.300 -0.037 0.000 1.065 222 R HN 0.353 nan 8.270 nan 0.000 0.452 223 C N -0.248 118.981 119.300 -0.118 0.000 2.396 223 C HA 0.861 5.321 4.460 -0.001 0.000 0.321 223 C C 0.790 175.629 174.990 -0.252 0.000 1.233 223 C CA 0.458 59.342 59.018 -0.224 0.000 1.440 223 C CB 1.201 28.812 27.740 -0.215 0.000 2.110 223 C HN 0.741 nan 8.230 nan 0.000 0.473 224 G N 3.580 112.120 108.800 -0.433 0.000 2.766 224 G HA2 0.881 4.841 3.960 -0.001 0.000 0.288 224 G HA3 0.881 4.841 3.960 -0.001 0.000 0.288 224 G C -1.742 172.719 174.900 -0.732 0.000 1.408 224 G CA -0.421 44.479 45.100 -0.333 0.000 0.852 224 G HN 0.568 nan 8.290 nan 0.000 0.487 225 F N -1.284 118.511 119.950 -0.258 0.000 2.643 225 F HA 0.720 5.246 4.527 -0.001 0.000 0.314 225 F C 0.086 175.801 175.800 -0.142 0.000 1.096 225 F CA -0.895 56.938 58.000 -0.279 0.000 0.953 225 F CB 2.466 41.103 39.000 -0.605 0.000 1.345 225 F HN 0.342 nan 8.300 nan 0.000 0.468 226 T N 2.918 117.536 114.554 0.107 0.000 2.841 226 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 226 T C -0.913 173.844 174.700 0.094 0.000 0.991 226 T CA -0.541 61.612 62.100 0.088 0.000 0.966 226 T CB 0.918 69.830 68.868 0.074 0.000 0.962 226 T HN 0.338 nan 8.240 nan 0.000 0.438 227 L N 2.928 124.200 121.223 0.081 0.000 2.313 227 L HA 0.919 5.258 4.340 -0.001 0.000 0.283 227 L C 0.105 177.006 176.870 0.052 0.000 1.013 227 L CA -0.734 54.151 54.840 0.075 0.000 0.816 227 L CB 1.318 43.421 42.059 0.073 0.000 1.236 227 L HN 0.804 nan 8.230 nan 0.000 0.419 228 A N 2.916 125.771 122.820 0.057 0.000 2.540 228 A HA 0.476 4.796 4.320 -0.001 0.000 0.291 228 A C -1.284 176.335 177.584 0.059 0.000 1.083 228 A CA -0.841 51.227 52.037 0.053 0.000 0.650 228 A CB 1.189 20.225 19.000 0.061 0.000 1.292 228 A HN 0.614 nan 8.150 nan 0.000 0.435 229 N N 0.417 119.154 118.700 0.062 0.000 2.415 229 N HA 0.062 4.802 4.740 -0.001 0.000 0.248 229 N C 0.971 176.519 175.510 0.064 0.000 1.271 229 N CA 0.234 53.320 53.050 0.061 0.000 0.913 229 N CB 0.815 39.342 38.487 0.065 0.000 1.129 229 N HN 0.776 nan 8.380 nan 0.000 0.444 230 E N 1.215 121.447 120.200 0.054 0.000 2.068 230 E HA -0.304 4.046 4.350 -0.001 0.000 0.207 230 E C 1.324 177.959 176.600 0.057 0.000 1.032 230 E CA 1.646 58.076 56.400 0.050 0.000 0.839 230 E CB 0.022 29.746 29.700 0.039 0.000 0.758 230 E HN 0.607 nan 8.360 nan 0.000 0.457 231 E N -0.084 120.154 120.200 0.063 0.000 2.070 231 E HA -0.227 4.123 4.350 -0.001 0.000 0.197 231 E C 2.105 178.768 176.600 0.105 0.000 1.004 231 E CA 1.548 57.993 56.400 0.075 0.000 0.805 231 E CB 0.106 29.854 29.700 0.080 0.000 0.744 231 E HN 0.094 nan 8.360 nan 0.000 0.451 232 V N 1.317 121.309 119.914 0.130 0.000 2.307 232 V HA -0.256 3.864 4.120 -0.001 0.000 0.245 232 V C 2.367 178.547 176.094 0.144 0.000 1.045 232 V CA 1.209 63.623 62.300 0.191 0.000 1.024 232 V CB -0.361 31.563 31.823 0.169 0.000 0.651 232 V HN 0.351 nan 8.190 nan 0.000 0.449 233 I N 0.968 121.597 120.570 0.097 0.000 2.163 233 I HA -0.218 3.952 4.170 -0.001 0.000 0.243 233 I C 2.286 178.431 176.117 0.046 0.000 1.085 233 I CA 1.676 63.019 61.300 0.071 0.000 1.347 233 I CB -1.547 36.489 38.000 0.060 0.000 1.044 233 I HN 0.398 nan 8.210 nan 0.000 0.408 234 N N 0.926 119.650 118.700 0.040 0.000 2.223 234 N HA -0.117 4.623 4.740 -0.001 0.000 0.185 234 N C 2.022 177.530 175.510 -0.004 0.000 1.016 234 N CA 0.931 53.990 53.050 0.015 0.000 0.863 234 N CB -0.366 38.131 38.487 0.016 0.000 0.983 234 N HN 0.358 nan 8.380 nan 0.000 0.429 235 L N 0.387 121.612 121.223 0.003 0.000 2.072 235 L HA -0.032 4.308 4.340 -0.001 0.000 0.205 235 L C 2.090 178.906 176.870 -0.091 0.000 1.079 235 L CA 0.651 55.452 54.840 -0.065 0.000 0.752 235 L CB -0.274 41.726 42.059 -0.097 0.000 0.906 235 L HN 0.118 nan 8.230 nan 0.000 0.436 236 L N -1.269 119.938 121.223 -0.026 0.000 2.141 236 L HA -0.206 4.134 4.340 -0.001 0.000 0.209 236 L C 2.549 179.400 176.870 -0.031 0.000 1.094 236 L CA 0.718 55.548 54.840 -0.017 0.000 0.763 236 L CB -0.387 41.701 42.059 0.048 0.000 0.908 236 L HN 0.333 nan 8.230 nan 0.000 0.437 237 M N -0.191 119.393 119.600 -0.026 0.000 2.374 237 M HA -0.146 4.333 4.480 -0.001 0.000 0.264 237 M C 1.942 178.209 176.300 -0.055 0.000 1.067 237 M CA 1.492 56.769 55.300 -0.038 0.000 1.103 237 M CB -0.714 31.869 32.600 -0.029 0.000 1.402 237 M HN 0.202 nan 8.290 nan 0.000 0.444 238 K N -0.092 120.271 120.400 -0.061 0.000 2.366 238 K HA 0.002 4.321 4.320 -0.001 0.000 0.198 238 K C 1.615 178.172 176.600 -0.072 0.000 1.044 238 K CA 0.952 57.198 56.287 -0.069 0.000 0.973 238 K CB 0.173 32.628 32.500 -0.075 0.000 0.767 238 K HN 0.389 nan 8.250 nan 0.000 0.475 239 V N -2.018 117.853 119.914 -0.071 0.000 3.528 239 V HA 0.283 4.403 4.120 -0.001 0.000 0.294 239 V C 0.604 176.668 176.094 -0.050 0.000 1.404 239 V CA -0.487 61.776 62.300 -0.062 0.000 1.065 239 V CB -0.230 31.552 31.823 -0.067 0.000 0.904 239 V HN 0.064 nan 8.190 nan 0.000 0.435 240 I N 2.210 122.748 120.570 -0.054 0.000 2.662 240 I HA 0.654 4.824 4.170 -0.001 0.000 0.291 240 I C 1.101 177.177 176.117 -0.068 0.000 1.046 240 I CA -0.105 61.163 61.300 -0.053 0.000 1.361 240 I CB 1.323 39.289 38.000 -0.055 0.000 1.429 240 I HN 0.337 nan 8.210 nan 0.000 0.558 241 A N 8.511 131.297 122.820 -0.056 0.000 2.483 241 A HA 0.252 4.571 4.320 -0.001 0.000 0.238 241 A C -1.431 176.078 177.584 -0.125 0.000 1.070 241 A CA -0.886 51.116 52.037 -0.058 0.000 0.770 241 A CB -0.409 18.582 19.000 -0.015 0.000 1.008 241 A HN 0.710 nan 8.150 nan 0.000 0.497 242 P HA -0.158 nan 4.420 nan 0.000 0.216 242 P C -0.308 176.542 177.300 -0.749 0.000 1.150 242 P CA 1.768 64.569 63.100 -0.499 0.000 0.843 242 P CB -0.085 31.298 31.700 -0.528 0.000 0.787 243 Y N -0.454 119.854 120.300 0.013 0.000 2.592 243 Y HA 0.289 4.838 4.550 -0.000 0.000 0.354 243 Y C -1.351 174.561 175.900 0.019 0.000 1.063 243 Y CA -1.775 56.347 58.100 0.038 0.000 1.205 243 Y CB 0.771 39.303 38.460 0.121 0.000 1.106 243 Y HN -0.010 nan 8.280 nan 0.000 0.649 244 P HA -0.037 nan 4.420 nan 0.000 0.225 244 P C -0.060 177.244 177.300 0.006 0.000 1.156 244 P CA 0.735 63.846 63.100 0.017 0.000 0.787 244 P CB 1.123 32.802 31.700 -0.035 0.000 0.802 245 L N 0.886 122.122 121.223 0.022 0.000 2.322 245 L HA 0.322 4.662 4.340 -0.001 0.000 0.281 245 L C 0.369 177.252 176.870 0.022 0.000 1.014 245 L CA -0.748 54.087 54.840 -0.009 0.000 0.815 245 L CB 1.676 43.708 42.059 -0.045 0.000 1.247 245 L HN -0.086 nan 8.230 nan 0.000 0.421 246 S N 1.536 117.233 115.700 -0.004 0.000 2.603 246 S HA 0.235 4.705 4.470 -0.001 0.000 0.268 246 S C 1.051 175.643 174.600 -0.014 0.000 1.317 246 S CA -0.067 58.127 58.200 -0.010 0.000 1.012 246 S CB 0.958 64.143 63.200 -0.024 0.000 0.926 246 S HN 0.690 nan 8.310 nan 0.000 0.539 247 T N 3.014 117.557 114.554 -0.020 0.000 2.708 247 T HA -0.003 4.346 4.350 -0.001 0.000 0.266 247 T C -0.771 173.919 174.700 -0.016 0.000 1.037 247 T CA 1.583 63.674 62.100 -0.014 0.000 1.146 247 T CB -1.327 67.528 68.868 -0.022 0.000 0.865 247 T HN 0.692 nan 8.240 nan 0.000 0.435 248 P HA -0.015 nan 4.420 nan 0.000 0.216 248 P C 1.595 178.878 177.300 -0.028 0.000 1.150 248 P CA 0.859 63.949 63.100 -0.016 0.000 0.837 248 P CB -0.218 31.474 31.700 -0.014 0.000 0.786 249 V N 0.775 120.666 119.914 -0.039 0.000 2.379 249 V HA -0.175 3.945 4.120 -0.001 0.000 0.245 249 V C 2.875 178.930 176.094 -0.065 0.000 1.044 249 V CA 2.081 64.344 62.300 -0.062 0.000 1.036 249 V CB -1.658 30.124 31.823 -0.068 0.000 0.664 249 V HN 0.098 nan 8.190 nan 0.000 0.453 250 A N -0.173 122.622 122.820 -0.042 0.000 1.902 250 A HA -0.280 4.039 4.320 -0.001 0.000 0.217 250 A C 2.123 179.697 177.584 -0.017 0.000 1.181 250 A CA 1.977 53.998 52.037 -0.026 0.000 0.623 250 A CB -0.640 18.357 19.000 -0.004 0.000 0.818 250 A HN 0.563 nan 8.150 nan 0.000 0.443 251 D N 0.748 121.140 120.400 -0.014 0.000 2.088 251 D HA -0.189 4.451 4.640 -0.001 0.000 0.191 251 D C 1.970 178.264 176.300 -0.009 0.000 0.992 251 D CA 2.117 56.118 54.000 0.001 0.000 0.831 251 D CB -0.342 40.463 40.800 0.008 0.000 0.973 251 D HN 0.570 nan 8.370 nan 0.000 0.447 252 I N -1.407 119.136 120.570 -0.045 0.000 2.439 252 I HA -0.038 4.132 4.170 -0.001 0.000 0.251 252 I C 2.355 178.314 176.117 -0.264 0.000 1.139 252 I CA 1.193 62.415 61.300 -0.129 0.000 1.438 252 I CB -0.647 37.241 38.000 -0.186 0.000 1.085 252 I HN -0.061 nan 8.210 nan 0.000 0.427 253 A N 1.880 124.589 122.820 -0.184 0.000 1.902 253 A HA 0.007 4.326 4.320 -0.001 0.000 0.217 253 A C 2.604 180.132 177.584 -0.094 0.000 1.181 253 A CA 1.920 53.857 52.037 -0.166 0.000 0.623 253 A CB -0.925 18.026 19.000 -0.083 0.000 0.818 253 A HN 0.576 nan 8.150 nan 0.000 0.443 254 A N -0.754 122.046 122.820 -0.033 0.000 1.933 254 A HA -0.212 4.108 4.320 -0.001 0.000 0.218 254 A C 2.116 179.712 177.584 0.019 0.000 1.175 254 A CA 1.690 53.732 52.037 0.009 0.000 0.628 254 A CB -0.511 18.505 19.000 0.027 0.000 0.814 254 A HN 0.672 nan 8.150 nan 0.000 0.444 255 Q N -0.815 119.005 119.800 0.033 0.000 2.079 255 Q HA -0.032 4.307 4.340 -0.001 0.000 0.200 255 Q C 2.366 178.473 176.000 0.178 0.000 0.974 255 Q CA 1.235 57.118 55.803 0.134 0.000 0.840 255 Q CB -0.349 28.547 28.738 0.263 0.000 0.898 255 Q HN 0.670 nan 8.270 nan 0.000 0.430 256 A N 0.523 123.368 122.820 0.043 0.000 2.070 256 A HA -0.087 4.233 4.320 -0.001 0.000 0.220 256 A C 1.707 179.326 177.584 0.059 0.000 1.159 256 A CA 0.936 53.015 52.037 0.070 0.000 0.656 256 A CB -0.256 18.598 19.000 -0.243 0.000 0.800 256 A HN 0.285 nan 8.150 nan 0.000 0.453 257 L N 0.559 121.767 121.223 -0.025 0.000 2.667 257 L HA 0.092 4.432 4.340 -0.001 0.000 0.232 257 L C 1.169 178.035 176.870 -0.007 0.000 1.138 257 L CA 0.043 54.843 54.840 -0.067 0.000 0.921 257 L CB -0.091 41.900 42.059 -0.113 0.000 1.180 257 L HN 0.444 nan 8.230 nan 0.000 0.487 258 S N -0.784 114.938 115.700 0.037 0.000 2.596 258 S HA 0.187 4.657 4.470 -0.001 0.000 0.260 258 S C -1.659 172.961 174.600 0.033 0.000 1.336 258 S CA -0.955 57.268 58.200 0.039 0.000 0.993 258 S CB 0.681 63.914 63.200 0.056 0.000 0.923 258 S HN -0.130 nan 8.310 nan 0.000 0.567 259 P HA -0.059 nan 4.420 nan 0.000 0.215 259 P C 2.199 179.510 177.300 0.019 0.000 1.157 259 P CA 2.441 65.555 63.100 0.022 0.000 0.874 259 P CB -0.388 31.323 31.700 0.018 0.000 0.790 260 Q N -0.332 119.481 119.800 0.022 0.000 2.170 260 Q HA -0.061 4.279 4.340 -0.001 0.000 0.203 260 Q C 2.390 178.404 176.000 0.023 0.000 0.976 260 Q CA 1.943 57.756 55.803 0.016 0.000 0.858 260 Q CB -2.203 26.544 28.738 0.014 0.000 0.907 260 Q HN 0.362 nan 8.270 nan 0.000 0.433 261 G N 0.545 109.377 108.800 0.054 0.000 2.402 261 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.216 261 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.216 261 G C 1.565 176.493 174.900 0.047 0.000 1.162 261 G CA 1.002 46.158 45.100 0.094 0.000 0.777 261 G HN 0.495 nan 8.290 nan 0.000 0.539 262 I N 1.127 121.707 120.570 0.017 0.000 2.226 262 I HA -0.120 4.050 4.170 -0.001 0.000 0.245 262 I C 2.995 179.065 176.117 -0.079 0.000 1.100 262 I CA 0.671 61.943 61.300 -0.048 0.000 1.374 262 I CB -1.256 36.739 38.000 -0.007 0.000 1.057 262 I HN 0.029 nan 8.210 nan 0.000 0.413 263 V N 1.521 121.412 119.914 -0.039 0.000 2.332 263 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 263 V C 2.829 178.881 176.094 -0.070 0.000 1.055 263 V CA 1.919 64.192 62.300 -0.045 0.000 1.038 263 V CB -1.201 30.609 31.823 -0.023 0.000 0.651 263 V HN 0.476 nan 8.190 nan 0.000 0.450 264 A N -0.516 122.264 122.820 -0.068 0.000 1.930 264 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 264 A C 2.241 179.725 177.584 -0.167 0.000 1.175 264 A CA 1.929 53.916 52.037 -0.085 0.000 0.627 264 A CB -0.512 18.457 19.000 -0.051 0.000 0.815 264 A HN 0.431 nan 8.150 nan 0.000 0.443 265 M N 0.025 119.476 119.600 -0.248 0.000 2.108 265 M HA -0.155 4.325 4.480 -0.001 0.000 0.261 265 M C 2.042 178.100 176.300 -0.404 0.000 1.066 265 M CA 1.810 56.822 55.300 -0.481 0.000 1.107 265 M CB -0.771 31.285 32.600 -0.907 0.000 1.356 265 M HN 0.427 nan 8.290 nan 0.000 0.406 266 R N 0.036 120.369 120.500 -0.278 0.000 2.115 266 R HA -0.108 4.231 4.340 -0.001 0.000 0.230 266 R C 1.987 178.215 176.300 -0.121 0.000 1.111 266 R CA 1.644 57.631 56.100 -0.189 0.000 0.976 266 R CB -0.182 30.049 30.300 -0.115 0.000 0.870 266 R HN 0.591 nan 8.270 nan 0.000 0.445 267 E N 0.036 120.175 120.200 -0.101 0.000 2.208 267 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 267 E C 1.931 178.517 176.600 -0.023 0.000 0.988 267 E CA 0.596 56.968 56.400 -0.046 0.000 0.828 267 E CB 0.048 29.728 29.700 -0.033 0.000 0.763 267 E HN 0.299 nan 8.360 nan 0.000 0.478 268 R N 0.570 121.016 120.500 -0.091 0.000 2.115 268 R HA -0.055 4.285 4.340 -0.001 0.000 0.226 268 R C 2.414 178.757 176.300 0.071 0.000 1.100 268 R CA 0.718 56.791 56.100 -0.044 0.000 0.980 268 R CB -0.189 29.862 30.300 -0.416 0.000 0.875 268 R HN 0.033 nan 8.270 nan 0.000 0.445 269 V N 1.112 120.997 119.914 -0.048 0.000 2.270 269 V HA -0.233 3.887 4.120 -0.001 0.000 0.245 269 V C 2.487 178.662 176.094 0.136 0.000 1.043 269 V CA 2.009 64.323 62.300 0.023 0.000 1.014 269 V CB -0.703 31.013 31.823 -0.178 0.000 0.645 269 V HN 0.377 nan 8.190 nan 0.000 0.447 270 A N -0.731 122.127 122.820 0.064 0.000 1.940 270 A HA -0.338 3.981 4.320 -0.001 0.000 0.219 270 A C 2.257 179.900 177.584 0.100 0.000 1.176 270 A CA 2.329 54.410 52.037 0.073 0.000 0.631 270 A CB -0.608 18.415 19.000 0.038 0.000 0.814 270 A HN 0.646 nan 8.150 nan 0.000 0.446 271 Q N -0.480 119.389 119.800 0.115 0.000 2.030 271 Q HA -0.182 4.158 4.340 -0.001 0.000 0.204 271 Q C 1.931 178.021 176.000 0.150 0.000 0.986 271 Q CA 1.909 57.790 55.803 0.129 0.000 0.843 271 Q CB -0.226 28.614 28.738 0.170 0.000 0.904 271 Q HN 0.552 nan 8.270 nan 0.000 0.420 272 I N 0.998 121.701 120.570 0.222 0.000 2.286 272 I HA -0.259 3.911 4.170 -0.001 0.000 0.248 272 I C 2.424 178.622 176.117 0.135 0.000 1.115 272 I CA 1.115 62.538 61.300 0.205 0.000 1.392 272 I CB -1.044 37.160 38.000 0.341 0.000 1.065 272 I HN 0.350 nan 8.210 nan 0.000 0.418 273 I N 0.984 121.653 120.570 0.165 0.000 2.179 273 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 273 I C 2.761 178.929 176.117 0.085 0.000 1.088 273 I CA 1.424 62.792 61.300 0.113 0.000 1.357 273 I CB -0.421 37.658 38.000 0.132 0.000 1.051 273 I HN 0.126 nan 8.210 nan 0.000 0.409 274 A N 0.293 123.166 122.820 0.088 0.000 1.902 274 A HA -0.260 4.060 4.320 -0.001 0.000 0.217 274 A C 2.198 179.841 177.584 0.098 0.000 1.181 274 A CA 2.011 54.095 52.037 0.079 0.000 0.623 274 A CB -0.515 18.522 19.000 0.061 0.000 0.818 274 A HN 0.398 nan 8.150 nan 0.000 0.443 275 E N 0.090 120.348 120.200 0.097 0.000 2.106 275 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 275 E C 2.117 178.803 176.600 0.144 0.000 0.984 275 E CA 1.348 57.823 56.400 0.124 0.000 0.806 275 E CB -0.284 29.470 29.700 0.091 0.000 0.750 275 E HN 0.575 nan 8.360 nan 0.000 0.458 276 R N 0.302 120.852 120.500 0.083 0.000 2.070 276 R HA -0.138 4.202 4.340 -0.001 0.000 0.233 276 R C 1.813 178.142 176.300 0.048 0.000 1.137 276 R CA 1.642 57.766 56.100 0.041 0.000 0.945 276 R CB -0.173 30.116 30.300 -0.017 0.000 0.845 276 R HN 0.102 nan 8.270 nan 0.000 0.430 277 E N -0.100 120.137 120.200 0.062 0.000 2.209 277 E HA -0.229 4.121 4.350 -0.001 0.000 0.196 277 E C 1.593 178.240 176.600 0.077 0.000 0.993 277 E CA 0.998 57.432 56.400 0.056 0.000 0.819 277 E CB -0.389 29.349 29.700 0.063 0.000 0.745 277 E HN 0.474 nan 8.360 nan 0.000 0.477 278 Y N 1.107 121.413 120.300 0.010 0.000 2.133 278 Y HA -0.170 4.380 4.550 -0.000 0.000 0.287 278 Y C 2.227 178.134 175.900 0.012 0.000 1.134 278 Y CA 1.077 59.183 58.100 0.011 0.000 1.133 278 Y CB -0.553 37.915 38.460 0.013 0.000 0.987 278 Y HN 0.026 nan 8.280 nan 0.000 0.502 279 L N 0.629 121.762 121.223 -0.149 0.000 2.042 279 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 279 L C 2.286 179.055 176.870 -0.168 0.000 1.076 279 L CA 1.728 56.447 54.840 -0.201 0.000 0.749 279 L CB -0.984 41.068 42.059 -0.010 0.000 0.893 279 L HN 0.416 nan 8.230 nan 0.000 0.432 280 I N -0.844 119.668 120.570 -0.095 0.000 2.179 280 I HA -0.326 3.844 4.170 -0.001 0.000 0.242 280 I C 2.544 178.596 176.117 -0.109 0.000 1.088 280 I CA 1.232 62.486 61.300 -0.078 0.000 1.357 280 I CB -0.619 37.356 38.000 -0.041 0.000 1.051 280 I HN 0.349 nan 8.210 nan 0.000 0.409 281 A N 0.727 123.473 122.820 -0.123 0.000 1.877 281 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 281 A C 2.535 180.024 177.584 -0.157 0.000 1.186 281 A CA 1.971 53.938 52.037 -0.117 0.000 0.620 281 A CB -0.846 18.105 19.000 -0.082 0.000 0.822 281 A HN 0.445 nan 8.150 nan 0.000 0.443 282 A N -0.213 122.446 122.820 -0.268 0.000 1.873 282 A HA -0.024 4.296 4.320 -0.001 0.000 0.215 282 A C 2.176 179.672 177.584 -0.147 0.000 1.186 282 A CA 1.451 53.341 52.037 -0.245 0.000 0.616 282 A CB -0.725 18.027 19.000 -0.413 0.000 0.823 282 A HN 0.466 nan 8.150 nan 0.000 0.442 283 L N -0.349 120.792 121.223 -0.136 0.000 1.997 283 L HA -0.296 4.044 4.340 -0.001 0.000 0.216 283 L C 2.536 179.341 176.870 -0.109 0.000 1.074 283 L CA 2.121 56.907 54.840 -0.090 0.000 0.763 283 L CB -0.581 41.430 42.059 -0.079 0.000 0.890 283 L HN 0.374 nan 8.230 nan 0.000 0.434 284 K N -0.440 119.887 120.400 -0.122 0.000 2.218 284 K HA -0.194 4.126 4.320 -0.001 0.000 0.205 284 K C 1.818 178.361 176.600 -0.095 0.000 1.046 284 K CA 1.079 57.292 56.287 -0.123 0.000 0.933 284 K CB -0.107 32.326 32.500 -0.111 0.000 0.728 284 K HN 0.332 nan 8.250 nan 0.000 0.454 285 E N 0.416 120.570 120.200 -0.077 0.000 2.442 285 E HA 0.069 4.419 4.350 -0.001 0.000 0.195 285 E C 0.588 177.164 176.600 -0.039 0.000 1.030 285 E CA 0.195 56.563 56.400 -0.054 0.000 0.869 285 E CB 0.206 29.878 29.700 -0.046 0.000 0.857 285 E HN 0.316 nan 8.360 nan 0.000 0.505 286 I N 2.642 123.189 120.570 -0.038 0.000 2.556 286 I HA -0.015 4.155 4.170 -0.001 0.000 0.284 286 I C -1.358 174.755 176.117 -0.008 0.000 1.114 286 I CA -1.478 59.816 61.300 -0.009 0.000 1.418 286 I CB 0.626 38.637 38.000 0.019 0.000 1.394 286 I HN -0.200 nan 8.210 nan 0.000 0.552 287 P HA -0.210 nan 4.420 nan 0.000 0.216 287 P C 1.474 178.790 177.300 0.026 0.000 1.157 287 P CA 1.459 64.567 63.100 0.012 0.000 0.880 287 P CB -0.003 31.710 31.700 0.021 0.000 0.791 288 C N -3.426 115.913 119.300 0.065 0.000 2.539 288 C HA 0.183 4.642 4.460 -0.001 0.000 0.271 288 C C 0.997 176.049 174.990 0.103 0.000 1.412 288 C CA -0.588 58.500 59.018 0.116 0.000 1.729 288 C CB -1.554 26.297 27.740 0.185 0.000 1.739 288 C HN -0.079 nan 8.230 nan 0.000 0.570 289 V N 2.553 122.452 119.914 -0.025 0.000 2.348 289 V HA 0.162 4.282 4.120 -0.001 0.000 0.270 289 V C 0.928 176.894 176.094 -0.214 0.000 1.037 289 V CA 0.336 62.482 62.300 -0.257 0.000 0.872 289 V CB 0.770 32.426 31.823 -0.278 0.000 1.002 289 V HN 0.478 nan 8.190 nan 0.000 0.464 290 E N 3.176 123.238 120.200 -0.231 0.000 2.086 290 E HA -0.005 4.345 4.350 -0.001 0.000 0.190 290 E C 0.706 177.178 176.600 -0.214 0.000 0.975 290 E CA 0.466 56.772 56.400 -0.158 0.000 0.813 290 E CB 0.515 30.162 29.700 -0.089 0.000 0.768 290 E HN 0.736 nan 8.360 nan 0.000 0.457 291 Q N 0.052 119.659 119.800 -0.322 0.000 2.438 291 Q HA 0.299 4.638 4.340 -0.001 0.000 0.272 291 Q C -2.097 173.557 176.000 -0.576 0.000 0.994 291 Q CA -0.450 55.094 55.803 -0.432 0.000 0.887 291 Q CB 2.155 30.599 28.738 -0.490 0.000 1.432 291 Q HN -0.069 nan 8.270 nan 0.000 0.392 292 V N 3.695 123.298 119.914 -0.517 0.000 2.448 292 V HA 0.545 4.665 4.120 -0.001 0.000 0.295 292 V C -0.772 175.087 176.094 -0.391 0.000 1.025 292 V CA -0.522 61.550 62.300 -0.381 0.000 0.859 292 V CB 1.060 32.761 31.823 -0.204 0.000 0.988 292 V HN 0.622 nan 8.190 nan 0.000 0.431 293 F N 1.650 121.631 119.950 0.051 0.000 2.385 293 F HA 0.381 4.908 4.527 -0.001 0.000 0.336 293 F C 0.780 176.621 175.800 0.069 0.000 1.100 293 F CA -0.490 57.578 58.000 0.114 0.000 1.116 293 F CB 0.769 39.915 39.000 0.243 0.000 1.166 293 F HN 0.510 nan 8.300 nan 0.000 0.511 294 D N 1.323 121.875 120.400 0.254 0.000 2.506 294 D HA 0.136 4.776 4.640 -0.001 0.000 0.234 294 D C -0.486 175.877 176.300 0.104 0.000 1.143 294 D CA 0.702 54.785 54.000 0.138 0.000 0.871 294 D CB 0.706 41.582 40.800 0.128 0.000 1.190 294 D HN 0.455 nan 8.370 nan 0.000 0.459 295 S N 2.067 117.782 115.700 0.024 0.000 2.541 295 S HA 0.364 4.834 4.470 -0.001 0.000 0.280 295 S C -0.632 173.917 174.600 -0.084 0.000 1.112 295 S CA -0.698 57.462 58.200 -0.066 0.000 0.925 295 S CB 1.314 64.430 63.200 -0.140 0.000 1.067 295 S HN 0.429 nan 8.310 nan 0.000 0.479 296 E N 2.574 122.702 120.200 -0.119 0.000 2.869 296 E HA 0.208 4.558 4.350 -0.001 0.000 0.207 296 E C 0.274 176.806 176.600 -0.113 0.000 0.986 296 E CA 0.011 56.379 56.400 -0.053 0.000 1.131 296 E CB 0.993 30.705 29.700 0.020 0.000 1.098 296 E HN 0.825 nan 8.360 nan 0.000 0.459 297 T N -1.827 112.498 114.554 -0.382 0.000 2.565 297 T HA 0.230 4.580 4.350 -0.001 0.000 0.266 297 T C 0.485 174.604 174.700 -0.969 0.000 0.905 297 T CA -0.671 61.013 62.100 -0.694 0.000 1.122 297 T CB 0.693 68.810 68.868 -1.252 0.000 1.437 297 T HN -0.036 nan 8.240 nan 0.000 0.506 298 N N 0.179 118.221 118.700 -1.097 0.000 2.321 298 N HA 0.202 4.941 4.740 -0.001 0.000 0.242 298 N C -0.735 174.628 175.510 -0.245 0.000 1.141 298 N CA -0.590 52.039 53.050 -0.703 0.000 0.864 298 N CB -0.391 37.714 38.487 -0.637 0.000 1.100 298 N HN 0.854 nan 8.380 nan 0.000 0.510 299 Y N -1.990 118.173 120.300 -0.228 0.000 2.581 299 Y HA 0.707 5.256 4.550 -0.001 0.000 0.337 299 Y C -1.335 174.503 175.900 -0.103 0.000 1.108 299 Y CA -1.647 56.372 58.100 -0.135 0.000 1.033 299 Y CB 0.976 39.345 38.460 -0.152 0.000 1.318 299 Y HN -0.170 nan 8.280 nan 0.000 0.459 300 I N 3.242 123.915 120.570 0.172 0.000 2.498 300 I HA 0.404 4.573 4.170 -0.001 0.000 0.290 300 I C -1.325 174.904 176.117 0.187 0.000 1.032 300 I CA -0.984 60.394 61.300 0.130 0.000 1.073 300 I CB 2.097 40.146 38.000 0.081 0.000 1.251 300 I HN 0.604 nan 8.210 nan 0.000 0.426 301 L N 6.251 127.594 121.223 0.199 0.000 2.295 301 L HA 0.859 5.199 4.340 -0.001 0.000 0.285 301 L C -0.348 176.718 176.870 0.327 0.000 1.035 301 L CA 0.133 55.108 54.840 0.225 0.000 0.806 301 L CB 1.248 43.374 42.059 0.112 0.000 1.214 301 L HN 0.762 nan 8.230 nan 0.000 0.426 302 A N 5.204 128.197 122.820 0.288 0.000 2.515 302 A HA 0.690 5.009 4.320 -0.001 0.000 0.298 302 A C -1.042 176.579 177.584 0.062 0.000 1.059 302 A CA -0.791 51.278 52.037 0.054 0.000 0.698 302 A CB 1.259 20.120 19.000 -0.233 0.000 1.289 302 A HN 0.696 nan 8.150 nan 0.000 0.404 303 R N 1.434 121.886 120.500 -0.080 0.000 2.265 303 R HA 0.629 4.968 4.340 -0.001 0.000 0.319 303 R C -1.532 174.644 176.300 -0.207 0.000 1.006 303 R CA -0.137 55.995 56.100 0.052 0.000 0.880 303 R CB 0.377 30.763 30.300 0.143 0.000 1.077 303 R HN 0.568 nan 8.270 nan 0.000 0.454 304 F N 1.750 121.743 119.950 0.072 0.000 2.557 304 F HA 0.443 4.969 4.527 -0.000 0.000 0.336 304 F C 0.283 176.111 175.800 0.047 0.000 1.058 304 F CA -0.885 57.146 58.000 0.052 0.000 0.988 304 F CB 1.153 40.191 39.000 0.063 0.000 1.275 304 F HN 0.201 nan 8.300 nan 0.000 0.488 305 K N 1.014 121.562 120.400 0.246 0.000 2.227 305 K HA 0.569 4.888 4.320 -0.001 0.000 0.280 305 K C -0.085 176.606 176.600 0.152 0.000 1.041 305 K CA -0.149 56.226 56.287 0.147 0.000 0.905 305 K CB 1.084 33.645 32.500 0.102 0.000 1.068 305 K HN 0.814 nan 8.250 nan 0.000 0.470 306 A N 2.187 125.074 122.820 0.112 0.000 2.667 306 A HA -0.213 4.107 4.320 -0.001 0.000 0.298 306 A C 1.523 179.163 177.584 0.094 0.000 1.483 306 A CA 0.878 52.966 52.037 0.086 0.000 0.738 306 A CB -2.383 16.659 19.000 0.069 0.000 1.067 306 A HN 0.975 nan 8.150 nan 0.000 0.451 307 S N -0.211 115.558 115.700 0.116 0.000 2.372 307 S HA -0.232 4.238 4.470 -0.001 0.000 0.227 307 S C 1.897 176.523 174.600 0.044 0.000 1.044 307 S CA 2.059 60.310 58.200 0.086 0.000 1.050 307 S CB -0.667 62.600 63.200 0.113 0.000 0.901 307 S HN 1.306 nan 8.310 nan 0.000 0.447 308 S N 2.328 118.055 115.700 0.045 0.000 2.382 308 S HA 0.077 4.547 4.470 -0.001 0.000 0.228 308 S C 2.341 176.999 174.600 0.095 0.000 1.027 308 S CA 1.072 59.311 58.200 0.065 0.000 0.991 308 S CB -0.899 62.316 63.200 0.026 0.000 0.823 308 S HN 0.824 nan 8.310 nan 0.000 0.469 309 A N 1.128 123.984 122.820 0.060 0.000 1.873 309 A HA -0.030 4.289 4.320 -0.001 0.000 0.215 309 A C 2.342 179.951 177.584 0.041 0.000 1.186 309 A CA 1.470 53.535 52.037 0.046 0.000 0.616 309 A CB -0.907 18.116 19.000 0.039 0.000 0.823 309 A HN 0.338 nan 8.150 nan 0.000 0.442 310 V N -1.102 118.829 119.914 0.028 0.000 2.295 310 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 310 V C 2.288 178.377 176.094 -0.008 0.000 1.049 310 V CA 2.188 64.473 62.300 -0.025 0.000 1.024 310 V CB -1.037 30.701 31.823 -0.142 0.000 0.648 310 V HN 0.633 nan 8.190 nan 0.000 0.447 311 F N 1.361 121.236 119.950 -0.125 0.000 2.091 311 F HA -0.297 4.230 4.527 -0.000 0.000 0.299 311 F C 2.516 178.337 175.800 0.035 0.000 1.103 311 F CA 2.432 60.393 58.000 -0.066 0.000 1.228 311 F CB -0.088 38.866 39.000 -0.076 0.000 0.984 311 F HN 0.041 nan 8.300 nan 0.000 0.477 312 K N 0.373 120.765 120.400 -0.014 0.000 2.057 312 K HA -0.140 4.180 4.320 -0.001 0.000 0.206 312 K C 2.373 178.962 176.600 -0.018 0.000 1.050 312 K CA 1.638 57.877 56.287 -0.080 0.000 0.935 312 K CB -0.861 31.628 32.500 -0.020 0.000 0.715 312 K HN 0.262 nan 8.250 nan 0.000 0.439 313 S N -0.302 115.395 115.700 -0.005 0.000 2.353 313 S HA -0.122 4.347 4.470 -0.001 0.000 0.222 313 S C 1.763 176.365 174.600 0.003 0.000 1.035 313 S CA 1.468 59.673 58.200 0.007 0.000 1.025 313 S CB -0.362 62.842 63.200 0.007 0.000 0.902 313 S HN 0.280 nan 8.310 nan 0.000 0.440 314 L N 1.323 122.531 121.223 -0.026 0.000 2.083 314 L HA -0.010 4.330 4.340 -0.001 0.000 0.209 314 L C 2.184 179.031 176.870 -0.038 0.000 1.083 314 L CA 1.430 56.249 54.840 -0.034 0.000 0.752 314 L CB -0.955 41.074 42.059 -0.050 0.000 0.899 314 L HN 0.590 nan 8.230 nan 0.000 0.433 315 W N 1.076 122.200 121.300 -0.292 0.000 2.358 315 W HA -0.228 4.432 4.660 -0.001 0.000 0.303 315 W C 1.633 178.069 176.519 -0.139 0.000 1.208 315 W CA 1.690 58.853 57.345 -0.304 0.000 1.274 315 W CB -0.180 28.967 29.460 -0.522 0.000 1.138 315 W HN 0.259 nan 8.180 nan 0.000 0.515 316 D N 0.003 120.517 120.400 0.190 0.000 2.310 316 D HA -0.137 4.503 4.640 -0.001 0.000 0.212 316 D C 1.728 178.045 176.300 0.027 0.000 0.965 316 D CA 1.138 55.218 54.000 0.133 0.000 0.879 316 D CB -0.315 40.550 40.800 0.108 0.000 0.921 316 D HN 0.448 nan 8.370 nan 0.000 0.510 317 Q N -0.726 119.071 119.800 -0.005 0.000 2.320 317 Q HA 0.264 4.604 4.340 -0.001 0.000 0.201 317 Q C 1.001 176.971 176.000 -0.050 0.000 0.910 317 Q CA 0.294 56.084 55.803 -0.022 0.000 0.946 317 Q CB 0.899 29.628 28.738 -0.014 0.000 1.062 317 Q HN 0.235 nan 8.270 nan 0.000 0.503 318 G N 1.339 110.090 108.800 -0.082 0.000 2.157 318 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.248 318 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.248 318 G C 0.090 174.981 174.900 -0.014 0.000 0.979 318 G CA -0.303 44.748 45.100 -0.081 0.000 0.650 318 G HN 0.339 nan 8.290 nan 0.000 0.529 319 I N 2.265 122.810 120.570 -0.041 0.000 2.307 319 I HA 0.328 4.498 4.170 -0.001 0.000 0.287 319 I C -0.062 176.019 176.117 -0.059 0.000 1.054 319 I CA -0.932 60.370 61.300 0.004 0.000 1.218 319 I CB 0.791 38.788 38.000 -0.005 0.000 1.398 319 I HN -0.118 nan 8.210 nan 0.000 0.475 320 I N 7.509 128.065 120.570 -0.023 0.000 2.304 320 I HA 0.378 4.548 4.170 -0.001 0.000 0.291 320 I C 0.244 176.348 176.117 -0.021 0.000 1.018 320 I CA -0.217 60.945 61.300 -0.229 0.000 1.260 320 I CB 0.524 38.097 38.000 -0.712 0.000 1.390 320 I HN 0.436 nan 8.210 nan 0.000 0.475 321 L N 5.380 126.678 121.223 0.125 0.000 2.421 321 L HA 0.616 4.955 4.340 -0.001 0.000 0.267 321 L C 0.173 177.292 176.870 0.415 0.000 1.036 321 L CA -1.231 53.758 54.840 0.248 0.000 0.829 321 L CB 1.020 43.243 42.059 0.274 0.000 1.437 321 L HN 0.389 nan 8.230 nan 0.000 0.488 322 R N 0.668 121.319 120.500 0.251 0.000 2.360 322 R HA 0.250 4.589 4.340 -0.001 0.000 0.318 322 R C -1.167 175.086 176.300 -0.077 0.000 0.950 322 R CA -0.551 55.617 56.100 0.112 0.000 0.837 322 R CB 0.660 30.966 30.300 0.010 0.000 1.165 322 R HN 0.381 nan 8.270 nan 0.000 0.458 323 D N 2.294 122.458 120.400 -0.393 0.000 2.348 323 D HA 0.097 4.736 4.640 -0.001 0.000 0.253 323 D C -0.214 175.898 176.300 -0.313 0.000 1.161 323 D CA 0.246 53.862 54.000 -0.641 0.000 0.876 323 D CB 1.158 41.242 40.800 -1.194 0.000 1.160 323 D HN 0.420 nan 8.370 nan 0.000 0.459 324 Q N 2.524 122.197 119.800 -0.211 0.000 2.171 324 Q HA 0.056 4.396 4.340 -0.001 0.000 0.218 324 Q C 1.212 177.150 176.000 -0.102 0.000 0.822 324 Q CA -0.118 55.604 55.803 -0.135 0.000 0.987 324 Q CB -0.053 28.627 28.738 -0.096 0.000 1.144 324 Q HN 0.635 nan 8.270 nan 0.000 0.494 325 N N 1.305 119.929 118.700 -0.127 0.000 2.247 325 N HA -0.168 4.571 4.740 -0.001 0.000 0.189 325 N C 0.864 176.337 175.510 -0.061 0.000 1.009 325 N CA 0.942 53.944 53.050 -0.081 0.000 0.872 325 N CB 0.324 38.744 38.487 -0.112 0.000 0.980 325 N HN 0.172 nan 8.380 nan 0.000 0.436 326 K N 0.049 120.401 120.400 -0.080 0.000 2.374 326 K HA 0.110 4.430 4.320 -0.001 0.000 0.196 326 K C 0.108 176.684 176.600 -0.040 0.000 1.023 326 K CA -0.061 56.192 56.287 -0.056 0.000 1.103 326 K CB 0.512 32.972 32.500 -0.067 0.000 0.848 326 K HN 0.213 nan 8.250 nan 0.000 0.528 327 Q N 2.176 121.950 119.800 -0.044 0.000 2.332 327 Q HA 0.114 4.454 4.340 -0.001 0.000 0.263 327 Q C -2.357 173.644 176.000 0.001 0.000 0.979 327 Q CA -1.878 53.907 55.803 -0.030 0.000 0.885 327 Q CB 0.805 29.508 28.738 -0.058 0.000 1.218 327 Q HN 0.080 nan 8.270 nan 0.000 0.405 328 P HA -0.121 nan 4.420 nan 0.000 0.258 328 P C 0.258 177.604 177.300 0.077 0.000 1.187 328 P CA 0.823 63.947 63.100 0.039 0.000 0.767 328 P CB 0.470 32.193 31.700 0.039 0.000 0.770 329 S N 1.869 117.617 115.700 0.079 0.000 2.765 329 S HA -0.186 4.284 4.470 -0.001 0.000 0.266 329 S C 0.382 175.072 174.600 0.150 0.000 1.302 329 S CA 0.916 59.187 58.200 0.118 0.000 1.274 329 S CB -2.445 60.859 63.200 0.174 0.000 1.559 329 S HN 0.407 nan 8.310 nan 0.000 0.658 330 L N 2.149 123.433 121.223 0.101 0.000 2.848 330 L HA 0.421 4.761 4.340 -0.001 0.000 0.240 330 L C 0.998 177.915 176.870 0.078 0.000 1.232 330 L CA 0.200 55.092 54.840 0.088 0.000 1.031 330 L CB 0.409 42.466 42.059 -0.004 0.000 1.338 330 L HN 0.452 nan 8.230 nan 0.000 0.509 331 S N 0.833 116.580 115.700 0.078 0.000 2.544 331 S HA 0.238 4.707 4.470 -0.001 0.000 0.290 331 S C 1.366 176.025 174.600 0.098 0.000 1.276 331 S CA 0.914 59.153 58.200 0.064 0.000 1.075 331 S CB 0.202 63.435 63.200 0.056 0.000 0.849 331 S HN 0.779 nan 8.310 nan 0.000 0.494 332 G N 3.370 112.224 108.800 0.090 0.000 2.136 332 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.242 332 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.242 332 G C 0.179 175.211 174.900 0.221 0.000 0.989 332 G CA -0.017 45.167 45.100 0.140 0.000 0.682 332 G HN 0.908 nan 8.290 nan 0.000 0.522 333 C N 0.596 120.004 119.300 0.179 0.000 2.411 333 C HA 0.844 5.304 4.460 -0.001 0.000 0.330 333 C C 0.519 175.606 174.990 0.163 0.000 1.224 333 C CA -0.867 58.294 59.018 0.238 0.000 1.770 333 C CB 1.063 28.911 27.740 0.181 0.000 2.297 333 C HN 0.438 nan 8.230 nan 0.000 0.507 334 L N 2.480 123.869 121.223 0.277 0.000 2.362 334 L HA 0.624 4.964 4.340 -0.001 0.000 0.271 334 L C -0.009 176.972 176.870 0.185 0.000 1.002 334 L CA -0.604 54.324 54.840 0.146 0.000 0.818 334 L CB 1.391 43.493 42.059 0.072 0.000 1.298 334 L HN 0.623 nan 8.230 nan 0.000 0.420 335 R N 2.947 123.495 120.500 0.080 0.000 2.229 335 R HA 0.590 4.930 4.340 -0.001 0.000 0.332 335 R C -1.126 175.236 176.300 0.103 0.000 0.989 335 R CA -0.459 55.679 56.100 0.064 0.000 0.842 335 R CB 0.815 31.070 30.300 -0.075 0.000 1.119 335 R HN 0.572 nan 8.270 nan 0.000 0.456 336 I N 3.792 124.452 120.570 0.151 0.000 2.339 336 I HA 0.179 4.349 4.170 -0.001 0.000 0.290 336 I C 0.225 176.429 176.117 0.144 0.000 0.994 336 I CA -0.538 60.851 61.300 0.148 0.000 1.191 336 I CB 2.053 40.154 38.000 0.167 0.000 1.343 336 I HN 0.517 nan 8.210 nan 0.000 0.458 337 T N 5.521 120.152 114.554 0.128 0.000 2.913 337 T HA 0.221 4.571 4.350 -0.001 0.000 0.297 337 T C 0.158 174.920 174.700 0.104 0.000 1.029 337 T CA -0.383 61.800 62.100 0.137 0.000 1.104 337 T CB 1.313 70.259 68.868 0.130 0.000 0.964 337 T HN 0.201 nan 8.240 nan 0.000 0.532 338 V N 3.629 123.589 119.914 0.077 0.000 2.389 338 V HA 0.497 4.616 4.120 -0.001 0.000 0.264 338 V C 0.997 177.121 176.094 0.050 0.000 1.049 338 V CA -0.095 62.236 62.300 0.052 0.000 0.932 338 V CB 0.521 32.351 31.823 0.011 0.000 1.011 338 V HN 1.079 nan 8.190 nan 0.000 0.475 339 G N 4.172 112.998 108.800 0.043 0.000 3.271 339 G HA2 0.513 4.472 3.960 -0.001 0.000 0.174 339 G HA3 0.513 4.472 3.960 -0.001 0.000 0.174 339 G C 0.312 175.201 174.900 -0.018 0.000 1.385 339 G CA 0.342 45.443 45.100 0.000 0.000 0.979 339 G HN 0.687 nan 8.290 nan 0.000 0.610 340 T N -2.249 112.287 114.554 -0.031 0.000 2.824 340 T HA 0.354 4.703 4.350 -0.001 0.000 0.277 340 T C 1.406 176.109 174.700 0.006 0.000 0.975 340 T CA -0.200 61.882 62.100 -0.030 0.000 0.966 340 T CB 1.802 70.640 68.868 -0.050 0.000 1.054 340 T HN 0.361 nan 8.240 nan 0.000 0.533 341 R N 0.486 120.981 120.500 -0.010 0.000 2.091 341 R HA -0.106 4.233 4.340 -0.001 0.000 0.238 341 R C 2.273 178.580 176.300 0.012 0.000 1.136 341 R CA 2.250 58.341 56.100 -0.015 0.000 0.959 341 R CB -1.129 29.117 30.300 -0.091 0.000 0.856 341 R HN 0.938 nan 8.270 nan 0.000 0.437 342 E N 0.282 120.477 120.200 -0.007 0.000 2.058 342 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 342 E C 1.587 178.197 176.600 0.017 0.000 0.997 342 E CA 1.716 58.115 56.400 -0.002 0.000 0.801 342 E CB -0.058 29.630 29.700 -0.021 0.000 0.746 342 E HN 0.557 nan 8.360 nan 0.000 0.450 343 E N 0.069 120.277 120.200 0.013 0.000 2.077 343 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 343 E C 2.297 178.932 176.600 0.058 0.000 0.989 343 E CA 1.214 57.629 56.400 0.025 0.000 0.800 343 E CB -0.050 29.660 29.700 0.018 0.000 0.746 343 E HN 0.134 nan 8.360 nan 0.000 0.452 344 S N 0.969 116.721 115.700 0.087 0.000 2.382 344 S HA -0.194 4.275 4.470 -0.001 0.000 0.228 344 S C 1.972 176.655 174.600 0.138 0.000 1.027 344 S CA 1.150 59.428 58.200 0.130 0.000 0.991 344 S CB -0.133 63.198 63.200 0.218 0.000 0.823 344 S HN 0.133 nan 8.310 nan 0.000 0.469 345 Q N 1.269 121.154 119.800 0.140 0.000 2.167 345 Q HA 0.047 4.386 4.340 -0.001 0.000 0.202 345 Q C 2.136 178.181 176.000 0.075 0.000 0.970 345 Q CA 1.196 57.075 55.803 0.127 0.000 0.855 345 Q CB -0.084 28.714 28.738 0.100 0.000 0.911 345 Q HN 0.184 nan 8.270 nan 0.000 0.438 346 R N -0.611 119.921 120.500 0.053 0.000 2.073 346 R HA -0.076 4.264 4.340 -0.001 0.000 0.234 346 R C 2.216 178.541 176.300 0.042 0.000 1.134 346 R CA 1.385 57.506 56.100 0.034 0.000 0.952 346 R CB -1.077 29.233 30.300 0.016 0.000 0.850 346 R HN 0.239 nan 8.270 nan 0.000 0.433 347 V N 1.766 121.713 119.914 0.055 0.000 2.255 347 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 347 V C 2.489 178.622 176.094 0.065 0.000 1.051 347 V CA 1.885 64.222 62.300 0.062 0.000 1.018 347 V CB -0.531 31.340 31.823 0.079 0.000 0.641 347 V HN 0.200 nan 8.190 nan 0.000 0.445 348 I N 0.334 120.941 120.570 0.062 0.000 2.118 348 I HA -0.300 3.870 4.170 -0.001 0.000 0.241 348 I C 2.334 178.480 176.117 0.049 0.000 1.070 348 I CA 1.976 63.305 61.300 0.049 0.000 1.327 348 I CB -0.666 37.355 38.000 0.035 0.000 1.034 348 I HN 0.333 nan 8.210 nan 0.000 0.405 349 D N 0.910 121.338 120.400 0.047 0.000 2.178 349 D HA -0.134 4.506 4.640 -0.001 0.000 0.201 349 D C 2.216 178.537 176.300 0.035 0.000 0.980 349 D CA 1.559 55.582 54.000 0.039 0.000 0.842 349 D CB -0.158 40.662 40.800 0.034 0.000 0.948 349 D HN 0.409 nan 8.370 nan 0.000 0.472 350 A N 0.681 123.522 122.820 0.036 0.000 1.897 350 A HA -0.060 4.259 4.320 -0.001 0.000 0.215 350 A C 2.381 179.990 177.584 0.041 0.000 1.181 350 A CA 0.644 52.699 52.037 0.030 0.000 0.620 350 A CB -0.685 18.328 19.000 0.023 0.000 0.821 350 A HN 0.175 nan 8.150 nan 0.000 0.443 351 L N -0.880 120.379 121.223 0.060 0.000 2.083 351 L HA -0.164 4.176 4.340 -0.001 0.000 0.209 351 L C 2.740 179.656 176.870 0.077 0.000 1.083 351 L CA 1.148 56.042 54.840 0.090 0.000 0.752 351 L CB -0.489 41.660 42.059 0.149 0.000 0.899 351 L HN 0.361 nan 8.230 nan 0.000 0.433 352 R N 0.023 120.557 120.500 0.057 0.000 2.189 352 R HA -0.053 4.287 4.340 -0.001 0.000 0.223 352 R C 2.196 178.519 176.300 0.038 0.000 1.092 352 R CA 1.038 57.165 56.100 0.044 0.000 0.989 352 R CB -0.280 30.040 30.300 0.034 0.000 0.876 352 R HN 0.311 nan 8.270 nan 0.000 0.457 353 A N 1.014 123.856 122.820 0.036 0.000 2.167 353 A HA -0.068 4.251 4.320 -0.001 0.000 0.214 353 A C 1.271 178.875 177.584 0.032 0.000 1.151 353 A CA 0.778 52.833 52.037 0.030 0.000 0.735 353 A CB 0.058 19.073 19.000 0.024 0.000 0.802 353 A HN 0.150 nan 8.150 nan 0.000 0.467 354 E N -1.912 118.313 120.200 0.042 0.000 3.227 354 E HA 0.343 4.692 4.350 -0.001 0.000 0.455 354 E C 1.255 177.884 176.600 0.047 0.000 0.292 354 E CA 0.955 57.383 56.400 0.046 0.000 2.635 354 E CB -0.788 28.948 29.700 0.061 0.000 2.232 354 E HN 0.767 nan 8.360 nan 0.000 0.443 355 Q N -1.580 118.256 119.800 0.059 0.000 2.465 355 Q HA -0.156 4.184 4.340 -0.001 0.000 0.248 355 Q C 0.586 176.610 176.000 0.040 0.000 0.819 355 Q CA 1.283 57.117 55.803 0.051 0.000 1.219 355 Q CB -2.875 25.888 28.738 0.041 0.000 1.472 355 Q HN 0.619 nan 8.270 nan 0.000 0.630 356 V N 0.000 119.937 119.914 0.039 0.000 2.409 356 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 356 V CA 0.000 62.319 62.300 0.031 0.000 1.235 356 V CB 0.000 31.841 31.823 0.030 0.000 1.184 356 V HN 0.000 nan 8.190 nan 0.000 0.556