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 3a4h_1_A DATA FIRST_RESID 4 DATA SEQUENCE TTTGTEQHDL FSGTFWQNPH PAYAALRAED PVRKLALPDG PVWLLTRYAD DATA SEQUENCE VREAFVDPRL SKDWRHTLPE DQRADMPATP TPMMILMDPP DHTRLRKLVG DATA SEQUENCE RSFTVRRMNE LEPRITEIAD GLLAGLPTDG PVDLMREYAF QIPVQVICEL DATA SEQUENCE LGVPAEDRDD FSAWSSVLVD DSPADDKNAA MGKLHGYLSD LLERKRTEPD DATA SEQUENCE DALLSSLLAV SDEDGDRLSQ EELVAMAMLL LIAGHETTVN LIGNGVLALL DATA SEQUENCE THPDQRKLLA EDPSLISSAV EEFLRFDSPV SQAPIRFTAE DVTYSGVTIP DATA SEQUENCE AGEMVMLGLA AANRDADWMP EPDRLDITRD ASGGVFFGHG IHFCLGAQLA DATA SEQUENCE RLEGRVAIGR LFADRPELAL AVGLDELVYR ESTLVRGLSR MPVTMGPRSA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.682 174.700 -0.030 0.000 1.109 4 T CA 0.000 62.071 62.100 -0.048 0.000 1.349 4 T CB 0.000 68.845 68.868 -0.038 0.000 0.612 5 T N 1.958 116.512 114.554 -0.000 0.000 2.874 5 T HA 0.489 4.842 4.350 0.006 0.000 0.281 5 T C 1.327 176.032 174.700 0.007 0.000 0.994 5 T CA -0.011 62.104 62.100 0.026 0.000 1.015 5 T CB 1.073 70.006 68.868 0.108 0.000 1.028 5 T HN 0.798 nan 8.240 nan 0.000 0.523 6 T N -1.953 112.609 114.554 0.014 0.000 3.040 6 T HA 0.362 4.716 4.350 0.006 0.000 0.266 6 T C 1.122 175.828 174.700 0.011 0.000 1.005 6 T CA -0.320 61.783 62.100 0.004 0.000 0.906 6 T CB 0.197 69.065 68.868 -0.000 0.000 1.082 6 T HN 0.611 nan 8.240 nan 0.000 0.531 7 G N 0.999 109.815 108.800 0.026 0.000 2.485 7 G HA2 0.281 4.245 3.960 0.006 0.000 0.260 7 G HA3 0.281 4.245 3.960 0.006 0.000 0.260 7 G C 1.132 176.040 174.900 0.013 0.000 1.459 7 G CA 0.303 45.421 45.100 0.030 0.000 1.060 7 G HN 0.142 nan 8.290 nan 0.000 0.546 8 T N -1.430 113.134 114.554 0.017 0.000 2.737 8 T HA -0.120 4.234 4.350 0.006 0.000 0.269 8 T C 0.805 175.491 174.700 -0.023 0.000 1.040 8 T CA 1.980 64.082 62.100 0.003 0.000 1.142 8 T CB -0.240 68.635 68.868 0.012 0.000 0.861 8 T HN 0.487 nan 8.240 nan 0.000 0.456 9 E N 0.994 121.171 120.200 -0.038 0.000 2.246 9 E HA 0.266 4.620 4.350 0.006 0.000 0.266 9 E C -1.089 175.389 176.600 -0.205 0.000 0.880 9 E CA -0.755 55.565 56.400 -0.134 0.000 0.762 9 E CB 1.277 30.875 29.700 -0.169 0.000 1.180 9 E HN 0.533 nan 8.360 nan 0.000 0.416 10 Q N 4.350 124.024 119.800 -0.210 0.000 2.349 10 Q HA 0.308 4.652 4.340 0.006 0.000 0.254 10 Q C -0.542 175.310 176.000 -0.246 0.000 0.980 10 Q CA -0.536 55.172 55.803 -0.159 0.000 0.924 10 Q CB 1.081 29.770 28.738 -0.083 0.000 1.209 10 Q HN 0.439 nan 8.270 nan 0.000 0.445 11 H N 1.851 120.893 119.070 -0.046 0.000 2.482 11 H HA 0.227 4.786 4.556 0.004 0.000 0.344 11 H C -0.519 174.764 175.328 -0.075 0.000 1.151 11 H CA -0.568 55.443 56.048 -0.062 0.000 1.300 11 H CB 1.249 30.967 29.762 -0.073 0.000 1.494 11 H HN 0.672 nan 8.280 nan 0.000 0.542 12 D N 1.861 122.285 120.400 0.040 0.000 2.350 12 D HA 0.166 4.810 4.640 0.006 0.000 0.249 12 D C 0.023 176.256 176.300 -0.112 0.000 1.119 12 D CA 0.027 54.003 54.000 -0.041 0.000 0.886 12 D CB 1.140 41.913 40.800 -0.044 0.000 1.195 12 D HN 0.223 nan 8.370 nan 0.000 0.437 13 L N 3.208 124.267 121.223 -0.272 0.000 2.319 13 L HA 0.239 4.583 4.340 0.006 0.000 0.281 13 L C 0.028 176.408 176.870 -0.816 0.000 1.005 13 L CA -0.799 53.635 54.840 -0.678 0.000 0.828 13 L CB 0.841 42.686 42.059 -0.357 0.000 1.227 13 L HN 0.424 nan 8.230 nan 0.000 0.415 14 F N 0.915 119.815 119.950 -1.748 0.000 3.084 14 F HA -0.311 4.222 4.527 0.009 0.000 0.286 14 F C 0.638 176.070 175.800 -0.614 0.000 0.855 14 F CA 1.016 58.188 58.000 -1.381 0.000 1.091 14 F CB -1.967 36.592 39.000 -0.736 0.000 1.177 14 F HN 0.619 nan 8.300 nan 0.000 0.542 15 S N -2.677 112.745 115.700 -0.464 0.000 2.611 15 S HA 0.773 5.246 4.470 0.006 0.000 0.268 15 S C 0.502 175.084 174.600 -0.030 0.000 1.156 15 S CA -0.191 58.011 58.200 0.003 0.000 0.817 15 S CB 1.529 64.773 63.200 0.074 0.000 1.122 15 S HN 1.621 nan 8.310 nan 0.000 0.466 16 G N 1.821 110.710 108.800 0.149 0.000 2.690 16 G HA2 -0.427 3.537 3.960 0.006 0.000 0.334 16 G HA3 -0.427 3.537 3.960 0.006 0.000 0.334 16 G C 1.194 176.155 174.900 0.101 0.000 1.250 16 G CA 2.407 47.577 45.100 0.116 0.000 0.994 16 G HN 2.250 nan 8.290 nan 0.000 0.549 17 T N -1.548 113.023 114.554 0.028 0.000 2.995 17 T HA 0.136 4.490 4.350 0.006 0.000 0.269 17 T C 2.072 176.721 174.700 -0.086 0.000 1.091 17 T CA 1.693 63.793 62.100 -0.001 0.000 1.128 17 T CB -0.160 68.701 68.868 -0.012 0.000 0.891 17 T HN 0.693 nan 8.240 nan 0.000 0.492 18 F N 1.261 120.998 119.950 -0.355 0.000 2.087 18 F HA -0.109 4.423 4.527 0.008 0.000 0.299 18 F C 1.821 177.305 175.800 -0.527 0.000 1.100 18 F CA 1.445 59.079 58.000 -0.609 0.000 1.226 18 F CB -0.522 37.900 39.000 -0.964 0.000 0.983 18 F HN 0.189 nan 8.300 nan 0.000 0.479 19 W N -0.208 121.101 121.300 0.014 0.000 2.392 19 W HA -0.157 4.508 4.660 0.007 0.000 0.279 19 W C 2.490 178.880 176.519 -0.216 0.000 1.225 19 W CA 0.707 58.027 57.345 -0.042 0.000 1.233 19 W CB -0.557 28.970 29.460 0.110 0.000 1.122 19 W HN 0.096 nan 8.180 nan 0.000 0.561 20 Q N 0.522 120.324 119.800 0.002 0.000 2.062 20 Q HA -0.081 4.263 4.340 0.006 0.000 0.196 20 Q C 0.200 175.998 176.000 -0.335 0.000 0.967 20 Q CA 1.226 56.981 55.803 -0.080 0.000 0.832 20 Q CB -0.054 28.707 28.738 0.038 0.000 0.899 20 Q HN -0.017 nan 8.270 nan 0.000 0.442 21 N N -0.794 117.698 118.700 -0.346 0.000 2.664 21 N HA 0.193 4.937 4.740 0.006 0.000 0.268 21 N C -2.658 172.481 175.510 -0.618 0.000 1.222 21 N CA -1.414 51.410 53.050 -0.377 0.000 0.805 21 N CB 1.741 40.120 38.487 -0.180 0.000 1.399 21 N HN -0.067 nan 8.380 nan 0.000 0.547 22 P HA 0.056 nan 4.420 nan 0.000 0.249 22 P C 0.645 177.061 177.300 -1.474 0.000 1.229 22 P CA 0.563 62.571 63.100 -1.820 0.000 0.788 22 P CB 0.304 30.501 31.700 -2.505 0.000 1.072 23 H N 0.680 119.332 119.070 -0.696 0.000 2.395 23 H HA 0.050 4.611 4.556 0.009 0.000 0.299 23 H C -0.621 174.522 175.328 -0.308 0.000 1.070 23 H CA 1.538 57.374 56.048 -0.352 0.000 1.356 23 H CB -1.826 27.802 29.762 -0.224 0.000 1.401 23 H HN 0.278 nan 8.280 nan 0.000 0.524 24 P HA -0.028 nan 4.420 nan 0.000 0.219 24 P C 1.496 178.402 177.300 -0.657 0.000 1.150 24 P CA 1.399 64.288 63.100 -0.350 0.000 0.814 24 P CB -0.031 31.500 31.700 -0.281 0.000 0.787 25 A N -1.310 121.119 122.820 -0.651 0.000 1.930 25 A HA -0.205 4.118 4.320 0.006 0.000 0.217 25 A C 1.917 179.360 177.584 -0.236 0.000 1.175 25 A CA 1.322 53.059 52.037 -0.499 0.000 0.627 25 A CB -1.764 17.046 19.000 -0.317 0.000 0.815 25 A HN 0.083 nan 8.150 nan 0.000 0.443 26 Y N -0.118 120.064 120.300 -0.196 0.000 2.200 26 Y HA -0.029 4.524 4.550 0.004 0.000 0.290 26 Y C 2.936 178.790 175.900 -0.076 0.000 1.137 26 Y CA 0.229 58.262 58.100 -0.111 0.000 1.163 26 Y CB -1.158 37.227 38.460 -0.125 0.000 0.988 26 Y HN 0.317 nan 8.280 nan 0.000 0.518 27 A N 0.071 122.924 122.820 0.055 0.000 1.933 27 A HA -0.107 4.216 4.320 0.006 0.000 0.218 27 A C 2.488 180.076 177.584 0.006 0.000 1.175 27 A CA 1.897 53.949 52.037 0.025 0.000 0.628 27 A CB -1.123 17.871 19.000 -0.009 0.000 0.814 27 A HN 0.378 nan 8.150 nan 0.000 0.444 28 A N -0.610 122.174 122.820 -0.060 0.000 1.969 28 A HA 0.073 4.397 4.320 0.006 0.000 0.218 28 A C 2.149 179.761 177.584 0.046 0.000 1.169 28 A CA 1.338 53.376 52.037 0.002 0.000 0.635 28 A CB -0.434 18.570 19.000 0.007 0.000 0.810 28 A HN 0.464 nan 8.150 nan 0.000 0.445 29 L N -1.358 119.896 121.223 0.053 0.000 2.068 29 L HA -0.077 4.266 4.340 0.006 0.000 0.204 29 L C 2.791 179.705 176.870 0.073 0.000 1.076 29 L CA 0.932 55.816 54.840 0.075 0.000 0.753 29 L CB -0.430 41.691 42.059 0.104 0.000 0.910 29 L HN 0.301 nan 8.230 nan 0.000 0.439 30 R N -0.103 120.443 120.500 0.077 0.000 2.117 30 R HA -0.200 4.144 4.340 0.006 0.000 0.243 30 R C 2.248 178.589 176.300 0.068 0.000 1.143 30 R CA 1.543 57.687 56.100 0.073 0.000 0.968 30 R CB -0.391 29.957 30.300 0.080 0.000 0.863 30 R HN 0.393 nan 8.270 nan 0.000 0.444 31 A N 0.458 123.316 122.820 0.062 0.000 1.878 31 A HA -0.084 4.240 4.320 0.006 0.000 0.213 31 A C 1.556 179.174 177.584 0.056 0.000 1.192 31 A CA 0.995 53.067 52.037 0.057 0.000 0.619 31 A CB 0.091 19.123 19.000 0.053 0.000 0.837 31 A HN 0.261 nan 8.150 nan 0.000 0.446 32 E N -1.972 118.263 120.200 0.057 0.000 2.485 32 E HA 0.089 4.443 4.350 0.006 0.000 0.213 32 E C -0.791 175.842 176.600 0.055 0.000 0.923 32 E CA 0.204 56.636 56.400 0.054 0.000 1.054 32 E CB 0.711 30.443 29.700 0.053 0.000 1.077 32 E HN 0.333 nan 8.360 nan 0.000 0.509 33 D N -0.077 120.360 120.400 0.060 0.000 2.978 33 D HA 0.077 4.721 4.640 0.006 0.000 0.268 33 D C -2.069 174.275 176.300 0.073 0.000 1.252 33 D CA -1.460 52.578 54.000 0.063 0.000 0.771 33 D CB 0.953 41.784 40.800 0.051 0.000 1.361 33 D HN -0.130 nan 8.370 nan 0.000 0.558 34 P HA -0.056 nan 4.420 nan 0.000 0.220 34 P C 0.248 177.598 177.300 0.083 0.000 1.148 34 P CA 0.503 63.649 63.100 0.075 0.000 0.803 34 P CB 0.607 32.353 31.700 0.076 0.000 0.782 35 V N 1.361 121.347 119.914 0.119 0.000 2.305 35 V HA 0.362 4.486 4.120 0.006 0.000 0.275 35 V C 0.047 176.274 176.094 0.222 0.000 1.020 35 V CA -0.754 61.653 62.300 0.178 0.000 0.811 35 V CB 1.053 33.004 31.823 0.214 0.000 1.031 35 V HN -0.068 nan 8.190 nan 0.000 0.439 36 R N 3.800 124.387 120.500 0.146 0.000 2.310 36 R HA 0.393 4.737 4.340 0.006 0.000 0.324 36 R C -0.312 175.898 176.300 -0.151 0.000 0.955 36 R CA -0.549 55.562 56.100 0.019 0.000 0.830 36 R CB 0.921 31.230 30.300 0.014 0.000 1.154 36 R HN 0.610 nan 8.270 nan 0.000 0.458 37 K N 5.336 125.442 120.400 -0.491 0.000 2.363 37 K HA 0.150 4.474 4.320 0.006 0.000 0.289 37 K C -0.815 175.488 176.600 -0.495 0.000 1.063 37 K CA -0.083 55.620 56.287 -0.974 0.000 0.967 37 K CB 0.260 31.856 32.500 -1.507 0.000 0.987 37 K HN 0.585 nan 8.250 nan 0.000 0.473 38 L N 3.775 124.767 121.223 -0.384 0.000 2.282 38 L HA 0.322 4.665 4.340 0.006 0.000 0.288 38 L C 0.379 177.115 176.870 -0.224 0.000 1.033 38 L CA -0.602 54.097 54.840 -0.235 0.000 0.807 38 L CB 1.709 43.660 42.059 -0.180 0.000 1.209 38 L HN 0.683 nan 8.230 nan 0.000 0.423 39 A N 5.839 128.557 122.820 -0.169 0.000 3.077 39 A HA 0.347 4.670 4.320 0.006 0.000 0.255 39 A C 0.293 177.813 177.584 -0.108 0.000 1.728 39 A CA -0.334 51.624 52.037 -0.130 0.000 1.383 39 A CB -0.747 18.192 19.000 -0.101 0.000 1.097 39 A HN 0.619 nan 8.150 nan 0.000 0.634 40 L N 1.157 122.302 121.223 -0.131 0.000 2.467 40 L HA 0.116 4.459 4.340 0.006 0.000 0.270 40 L C -0.629 176.196 176.870 -0.075 0.000 1.205 40 L CA -1.403 53.363 54.840 -0.124 0.000 0.828 40 L CB 0.659 42.611 42.059 -0.180 0.000 1.101 40 L HN 0.366 nan 8.230 nan 0.000 0.479 41 P HA -0.193 nan 4.420 nan 0.000 0.216 41 P C 0.523 177.806 177.300 -0.028 0.000 1.154 41 P CA 1.435 64.517 63.100 -0.030 0.000 0.865 41 P CB 0.241 31.931 31.700 -0.017 0.000 0.789 42 D N -0.371 120.009 120.400 -0.033 0.000 2.085 42 D HA 0.123 4.767 4.640 0.006 0.000 0.199 42 D C 1.419 177.713 176.300 -0.009 0.000 0.981 42 D CA 1.683 55.671 54.000 -0.020 0.000 0.834 42 D CB -0.583 40.204 40.800 -0.023 0.000 0.992 42 D HN 0.274 nan 8.370 nan 0.000 0.457 43 G N -1.330 107.460 108.800 -0.016 0.000 2.623 43 G HA2 0.494 4.458 3.960 0.006 0.000 0.290 43 G HA3 0.494 4.458 3.960 0.006 0.000 0.290 43 G C -2.980 171.901 174.900 -0.032 0.000 1.437 43 G CA -1.063 44.036 45.100 -0.001 0.000 0.798 43 G HN -0.223 nan 8.290 nan 0.000 0.488 44 P HA 0.401 nan 4.420 nan 0.000 0.269 44 P C -0.649 176.606 177.300 -0.075 0.000 1.209 44 P CA -0.279 62.762 63.100 -0.098 0.000 0.776 44 P CB 1.577 33.221 31.700 -0.094 0.000 0.876 45 V N 3.899 123.709 119.914 -0.174 0.000 2.817 45 V HA 0.448 4.571 4.120 0.006 0.000 0.303 45 V C -1.775 174.232 176.094 -0.146 0.000 1.151 45 V CA -0.627 61.624 62.300 -0.081 0.000 0.929 45 V CB 0.992 32.759 31.823 -0.093 0.000 1.030 45 V HN 0.430 nan 8.190 nan 0.000 0.427 46 W N 6.003 127.260 121.300 -0.072 0.000 2.315 46 W HA 0.669 5.332 4.660 0.005 0.000 0.316 46 W C -0.304 176.167 176.519 -0.080 0.000 1.211 46 W CA -0.477 56.832 57.345 -0.060 0.000 1.201 46 W CB 1.322 30.753 29.460 -0.049 0.000 1.184 46 W HN 0.479 nan 8.180 nan 0.000 0.544 47 L N 4.550 125.853 121.223 0.133 0.000 2.316 47 L HA 0.499 4.843 4.340 0.006 0.000 0.280 47 L C -1.249 175.646 176.870 0.041 0.000 1.006 47 L CA -0.693 54.184 54.840 0.062 0.000 0.836 47 L CB 0.502 42.611 42.059 0.082 0.000 1.221 47 L HN 0.227 nan 8.230 nan 0.000 0.418 48 L N 4.436 125.634 121.223 -0.043 0.000 2.265 48 L HA 0.454 4.798 4.340 0.006 0.000 0.288 48 L C 1.312 178.126 176.870 -0.092 0.000 1.058 48 L CA 0.385 55.167 54.840 -0.096 0.000 0.809 48 L CB 1.431 43.341 42.059 -0.248 0.000 1.179 48 L HN 0.810 nan 8.230 nan 0.000 0.429 49 T N -0.843 113.684 114.554 -0.045 0.000 2.971 49 T HA 0.246 4.599 4.350 0.006 0.000 0.252 49 T C 1.003 175.692 174.700 -0.018 0.000 1.022 49 T CA -0.257 61.817 62.100 -0.042 0.000 0.980 49 T CB 0.105 68.982 68.868 0.014 0.000 1.044 49 T HN 0.284 nan 8.240 nan 0.000 0.501 50 R N 0.465 120.965 120.500 -0.001 0.000 2.441 50 R HA 0.377 4.720 4.340 0.006 0.000 0.284 50 R C 0.770 177.091 176.300 0.035 0.000 1.070 50 R CA -0.496 55.634 56.100 0.050 0.000 1.047 50 R CB 0.454 30.795 30.300 0.068 0.000 1.016 50 R HN 0.257 nan 8.270 nan 0.000 0.477 51 Y N 3.039 123.326 120.300 -0.023 0.000 2.014 51 Y HA -0.369 4.186 4.550 0.009 0.000 0.272 51 Y C 2.033 177.873 175.900 -0.100 0.000 1.164 51 Y CA 2.447 60.498 58.100 -0.082 0.000 1.114 51 Y CB -0.224 38.215 38.460 -0.036 0.000 0.961 51 Y HN 0.761 nan 8.280 nan 0.000 0.489 52 A N -0.019 122.831 122.820 0.050 0.000 1.978 52 A HA -0.219 4.105 4.320 0.006 0.000 0.220 52 A C 1.872 179.413 177.584 -0.073 0.000 1.170 52 A CA 2.068 54.090 52.037 -0.026 0.000 0.636 52 A CB -0.885 18.194 19.000 0.131 0.000 0.810 52 A HN 0.631 nan 8.150 nan 0.000 0.448 53 D N -0.331 120.037 120.400 -0.054 0.000 2.084 53 D HA -0.096 4.547 4.640 0.006 0.000 0.196 53 D C 2.132 178.198 176.300 -0.389 0.000 0.985 53 D CA 1.527 55.440 54.000 -0.145 0.000 0.826 53 D CB -0.525 40.180 40.800 -0.159 0.000 0.978 53 D HN 0.201 nan 8.370 nan 0.000 0.456 54 V N 1.206 120.910 119.914 -0.350 0.000 2.295 54 V HA -0.203 3.921 4.120 0.006 0.000 0.246 54 V C 2.601 178.529 176.094 -0.277 0.000 1.049 54 V CA 1.359 63.435 62.300 -0.373 0.000 1.024 54 V CB -0.378 31.275 31.823 -0.284 0.000 0.648 54 V HN 0.149 nan 8.190 nan 0.000 0.447 55 R N -0.156 120.117 120.500 -0.378 0.000 2.103 55 R HA -0.219 4.125 4.340 0.006 0.000 0.242 55 R C 2.266 178.455 176.300 -0.186 0.000 1.142 55 R CA 2.048 57.892 56.100 -0.426 0.000 0.960 55 R CB -0.265 29.565 30.300 -0.783 0.000 0.858 55 R HN 0.526 nan 8.270 nan 0.000 0.439 56 E N -0.578 119.559 120.200 -0.105 0.000 2.385 56 E HA 0.085 4.439 4.350 0.006 0.000 0.194 56 E C 1.419 178.085 176.600 0.110 0.000 1.013 56 E CA 0.751 57.185 56.400 0.055 0.000 0.866 56 E CB 0.145 29.921 29.700 0.126 0.000 0.832 56 E HN 0.331 nan 8.360 nan 0.000 0.500 57 A N -0.460 122.319 122.820 -0.068 0.000 2.014 57 A HA -0.049 4.275 4.320 0.006 0.000 0.218 57 A C 1.846 179.371 177.584 -0.099 0.000 1.163 57 A CA 0.640 52.577 52.037 -0.167 0.000 0.652 57 A CB -0.711 17.965 19.000 -0.541 0.000 0.808 57 A HN 0.340 nan 8.150 nan 0.000 0.449 58 F N 0.175 120.117 119.950 -0.014 0.000 2.134 58 F HA -0.156 4.374 4.527 0.005 0.000 0.299 58 F C 1.981 177.835 175.800 0.089 0.000 1.097 58 F CA 1.716 59.750 58.000 0.056 0.000 1.264 58 F CB 0.127 39.207 39.000 0.133 0.000 1.001 58 F HN 0.143 nan 8.300 nan 0.000 0.479 59 V N -2.986 117.119 119.914 0.319 0.000 3.331 59 V HA 0.131 4.255 4.120 0.006 0.000 0.332 59 V C -0.105 176.063 176.094 0.123 0.000 1.341 59 V CA -0.177 62.236 62.300 0.187 0.000 1.218 59 V CB -0.720 31.210 31.823 0.179 0.000 1.152 59 V HN 0.061 nan 8.190 nan 0.000 0.445 60 D N 2.707 123.174 120.400 0.112 0.000 2.347 60 D HA 0.279 4.922 4.640 0.006 0.000 0.235 60 D C -1.257 175.072 176.300 0.048 0.000 1.149 60 D CA -1.776 52.273 54.000 0.082 0.000 0.850 60 D CB 2.397 43.263 40.800 0.111 0.000 1.061 60 D HN 0.184 nan 8.370 nan 0.000 0.487 61 P HA -0.125 nan 4.420 nan 0.000 0.218 61 P C 0.935 178.232 177.300 -0.004 0.000 1.148 61 P CA 0.776 63.887 63.100 0.019 0.000 0.822 61 P CB 0.375 32.084 31.700 0.016 0.000 0.784 62 R N -0.861 119.630 120.500 -0.014 0.000 2.280 62 R HA 0.110 4.453 4.340 0.006 0.000 0.207 62 R C 0.885 177.137 176.300 -0.080 0.000 1.043 62 R CA 0.288 56.360 56.100 -0.047 0.000 1.006 62 R CB -0.451 29.825 30.300 -0.039 0.000 0.885 62 R HN 0.254 nan 8.270 nan 0.000 0.467 63 L N 1.666 122.860 121.223 -0.048 0.000 2.265 63 L HA 0.228 4.572 4.340 0.006 0.000 0.289 63 L C 0.086 176.935 176.870 -0.035 0.000 1.033 63 L CA -0.514 54.290 54.840 -0.060 0.000 0.814 63 L CB 1.530 43.553 42.059 -0.059 0.000 1.203 63 L HN 0.048 nan 8.230 nan 0.000 0.423 64 S N 2.291 117.969 115.700 -0.037 0.000 2.638 64 S HA 0.507 4.981 4.470 0.006 0.000 0.302 64 S C 0.348 175.092 174.600 0.239 0.000 1.096 64 S CA -0.913 57.322 58.200 0.060 0.000 0.953 64 S CB 2.226 65.416 63.200 -0.016 0.000 1.107 64 S HN 0.415 nan 8.310 nan 0.000 0.503 65 K N 0.426 120.986 120.400 0.266 0.000 2.426 65 K HA 0.188 4.512 4.320 0.006 0.000 0.193 65 K C -0.222 176.660 176.600 0.470 0.000 1.028 65 K CA 0.205 56.702 56.287 0.351 0.000 1.047 65 K CB -0.426 32.178 32.500 0.174 0.000 0.821 65 K HN 0.682 nan 8.250 nan 0.000 0.513 66 D N 1.441 122.045 120.400 0.339 0.000 2.358 66 D HA -0.075 4.569 4.640 0.006 0.000 0.258 66 D C 1.203 177.379 176.300 -0.208 0.000 1.223 66 D CA -0.295 53.799 54.000 0.156 0.000 0.886 66 D CB 0.382 41.255 40.800 0.121 0.000 1.120 66 D HN 0.192 nan 8.370 nan 0.000 0.482 67 W N 4.984 125.918 121.300 -0.609 0.000 2.699 67 W HA -0.017 4.647 4.660 0.006 0.000 0.249 67 W C 0.753 176.881 176.519 -0.653 0.000 1.280 67 W CA -0.210 56.377 57.345 -1.263 0.000 1.345 67 W CB -0.505 28.570 29.460 -0.642 0.000 1.128 67 W HN 0.364 nan 8.180 nan 0.000 0.642 68 R N 0.147 119.946 120.500 -1.168 0.000 2.237 68 R HA -0.110 4.234 4.340 0.006 0.000 0.219 68 R C 1.610 177.524 176.300 -0.644 0.000 1.080 68 R CA 1.357 56.791 56.100 -1.110 0.000 0.995 68 R CB -0.617 29.147 30.300 -0.893 0.000 0.875 68 R HN 0.330 nan 8.270 nan 0.000 0.462 69 H N -0.704 118.110 119.070 -0.427 0.000 2.518 69 H HA -0.074 4.486 4.556 0.006 0.000 0.289 69 H C 2.188 177.428 175.328 -0.146 0.000 1.051 69 H CA 1.819 57.738 56.048 -0.214 0.000 1.280 69 H CB 0.118 29.826 29.762 -0.090 0.000 1.380 69 H HN 0.278 nan 8.280 nan 0.000 0.566 70 T N -1.627 112.875 114.554 -0.087 0.000 2.942 70 T HA 0.006 4.359 4.350 0.006 0.000 0.265 70 T C 0.911 175.586 174.700 -0.043 0.000 1.062 70 T CA 0.219 62.324 62.100 0.008 0.000 1.139 70 T CB -0.121 68.805 68.868 0.097 0.000 0.883 70 T HN 0.078 nan 8.240 nan 0.000 0.468 71 L N 3.056 124.180 121.223 -0.165 0.000 2.395 71 L HA 0.366 4.710 4.340 0.006 0.000 0.269 71 L C -1.986 174.806 176.870 -0.130 0.000 1.133 71 L CA -2.614 52.135 54.840 -0.152 0.000 0.812 71 L CB 0.528 42.435 42.059 -0.253 0.000 1.125 71 L HN 0.048 nan 8.230 nan 0.000 0.452 72 P HA -0.064 nan 4.420 nan 0.000 0.267 72 P C 0.245 177.487 177.300 -0.097 0.000 1.200 72 P CA 0.017 63.076 63.100 -0.069 0.000 0.772 72 P CB 0.704 32.377 31.700 -0.045 0.000 0.855 73 E N 1.628 121.778 120.200 -0.083 0.000 2.114 73 E HA -0.286 4.067 4.350 0.006 0.000 0.199 73 E C 1.126 177.667 176.600 -0.098 0.000 1.008 73 E CA 2.270 58.611 56.400 -0.097 0.000 0.810 73 E CB -0.155 29.504 29.700 -0.068 0.000 0.739 73 E HN 0.573 nan 8.360 nan 0.000 0.456 74 D N -0.609 119.746 120.400 -0.075 0.000 2.183 74 D HA -0.171 4.472 4.640 0.006 0.000 0.203 74 D C 1.737 177.991 176.300 -0.077 0.000 0.969 74 D CA 0.762 54.722 54.000 -0.067 0.000 0.842 74 D CB -0.350 40.421 40.800 -0.047 0.000 0.957 74 D HN 0.233 nan 8.370 nan 0.000 0.484 75 Q N -0.207 119.541 119.800 -0.087 0.000 2.297 75 Q HA -0.019 4.325 4.340 0.006 0.000 0.204 75 Q C 1.906 177.826 176.000 -0.133 0.000 0.962 75 Q CA 0.808 56.556 55.803 -0.092 0.000 0.879 75 Q CB 0.002 28.691 28.738 -0.081 0.000 0.947 75 Q HN 0.514 nan 8.270 nan 0.000 0.462 76 R N -0.651 119.742 120.500 -0.178 0.000 2.246 76 R HA 0.213 4.557 4.340 0.006 0.000 0.199 76 R C 1.598 177.788 176.300 -0.184 0.000 0.984 76 R CA 0.724 56.677 56.100 -0.245 0.000 1.015 76 R CB -0.079 30.018 30.300 -0.338 0.000 0.930 76 R HN -0.044 nan 8.270 nan 0.000 0.475 77 A N 1.377 124.118 122.820 -0.131 0.000 2.258 77 A HA -0.088 4.236 4.320 0.006 0.000 0.206 77 A C 0.921 178.461 177.584 -0.073 0.000 1.222 77 A CA 1.229 53.208 52.037 -0.096 0.000 0.822 77 A CB -0.303 18.652 19.000 -0.075 0.000 0.804 77 A HN 0.427 nan 8.150 nan 0.000 0.483 78 D N -2.052 118.301 120.400 -0.078 0.000 2.434 78 D HA 0.112 4.756 4.640 0.006 0.000 0.288 78 D C 0.575 176.853 176.300 -0.036 0.000 1.083 78 D CA 0.125 54.096 54.000 -0.048 0.000 0.903 78 D CB 0.092 40.868 40.800 -0.040 0.000 1.476 78 D HN 0.157 nan 8.370 nan 0.000 0.502 79 M N 2.441 122.005 119.600 -0.060 0.000 2.235 79 M HA 0.346 4.829 4.480 0.006 0.000 0.351 79 M C -2.145 174.154 176.300 -0.002 0.000 1.178 79 M CA -1.851 53.440 55.300 -0.014 0.000 1.143 79 M CB 0.591 33.162 32.600 -0.048 0.000 1.530 79 M HN -0.005 nan 8.290 nan 0.000 0.461 80 P HA 0.139 nan 4.420 nan 0.000 0.269 80 P C 0.043 177.434 177.300 0.152 0.000 1.209 80 P CA -0.029 63.124 63.100 0.088 0.000 0.776 80 P CB 0.451 32.211 31.700 0.100 0.000 0.876 81 A N 3.046 125.930 122.820 0.107 0.000 1.898 81 A HA 0.014 4.338 4.320 0.006 0.000 0.216 81 A C 1.134 178.905 177.584 0.310 0.000 1.181 81 A CA 1.957 54.077 52.037 0.137 0.000 0.620 81 A CB -0.998 18.048 19.000 0.077 0.000 0.819 81 A HN 0.726 nan 8.150 nan 0.000 0.442 82 T N -5.252 109.431 114.554 0.213 0.000 2.903 82 T HA 0.572 4.926 4.350 0.006 0.000 0.299 82 T C -2.174 172.582 174.700 0.093 0.000 1.093 82 T CA -1.132 61.066 62.100 0.164 0.000 1.002 82 T CB 1.671 70.620 68.868 0.134 0.000 1.127 82 T HN -0.034 nan 8.240 nan 0.000 0.488 83 P HA 0.115 nan 4.420 nan 0.000 0.214 83 P C 0.491 177.795 177.300 0.007 0.000 1.162 83 P CA 0.909 64.007 63.100 -0.003 0.000 0.874 83 P CB 0.043 31.710 31.700 -0.055 0.000 0.784 84 T N -0.359 114.203 114.554 0.015 0.000 2.861 84 T HA 0.389 4.743 4.350 0.006 0.000 0.287 84 T C -2.818 171.916 174.700 0.057 0.000 1.003 84 T CA -2.598 59.519 62.100 0.029 0.000 0.977 84 T CB 1.276 70.152 68.868 0.014 0.000 0.996 84 T HN -0.168 nan 8.240 nan 0.000 0.448 85 P HA 0.174 nan 4.420 nan 0.000 0.238 85 P C -0.425 176.922 177.300 0.078 0.000 1.729 85 P CA -0.039 63.105 63.100 0.073 0.000 1.055 85 P CB -0.566 31.171 31.700 0.061 0.000 1.980 86 M N 2.298 121.952 119.600 0.089 0.000 2.188 86 M HA 0.283 4.767 4.480 0.006 0.000 0.357 86 M C 2.072 178.457 176.300 0.142 0.000 1.204 86 M CA -0.556 54.803 55.300 0.098 0.000 1.095 86 M CB 1.679 34.333 32.600 0.089 0.000 1.604 86 M HN 0.089 nan 8.290 nan 0.000 0.464 87 M N 1.556 121.250 119.600 0.156 0.000 2.213 87 M HA -0.100 4.384 4.480 0.006 0.000 0.263 87 M C 1.446 178.004 176.300 0.431 0.000 1.062 87 M CA 1.785 57.241 55.300 0.260 0.000 1.105 87 M CB -0.613 32.078 32.600 0.152 0.000 1.385 87 M HN 0.643 nan 8.290 nan 0.000 0.417 88 I N 1.394 122.150 120.570 0.311 0.000 2.850 88 I HA -0.101 4.072 4.170 0.006 0.000 0.266 88 I C 1.562 177.759 176.117 0.134 0.000 1.257 88 I CA 1.197 62.640 61.300 0.239 0.000 1.465 88 I CB -0.178 37.907 38.000 0.143 0.000 1.091 88 I HN 0.355 nan 8.210 nan 0.000 0.467 89 L N -0.899 120.434 121.223 0.183 0.000 2.640 89 L HA 0.251 4.595 4.340 0.006 0.000 0.230 89 L C 0.542 177.545 176.870 0.222 0.000 1.123 89 L CA -0.059 54.887 54.840 0.177 0.000 0.900 89 L CB -0.265 41.885 42.059 0.152 0.000 1.146 89 L HN 0.112 nan 8.230 nan 0.000 0.484 90 M N -0.957 118.808 119.600 0.275 0.000 2.664 90 M HA 0.362 4.846 4.480 0.006 0.000 0.314 90 M C -0.930 175.542 176.300 0.286 0.000 1.200 90 M CA -0.509 54.952 55.300 0.268 0.000 0.916 90 M CB 2.301 35.056 32.600 0.259 0.000 1.717 90 M HN -0.143 nan 8.290 nan 0.000 0.470 91 D N 1.129 121.660 120.400 0.218 0.000 2.340 91 D HA 0.488 5.131 4.640 0.006 0.000 0.243 91 D C -2.482 173.909 176.300 0.152 0.000 0.988 91 D CA -1.212 52.888 54.000 0.168 0.000 0.959 91 D CB 1.336 42.228 40.800 0.154 0.000 1.226 91 D HN 0.162 nan 8.370 nan 0.000 0.509 92 P HA 0.067 nan 4.420 nan 0.000 0.268 92 P C -1.758 175.591 177.300 0.082 0.000 1.208 92 P CA -0.625 62.537 63.100 0.103 0.000 0.777 92 P CB 0.039 31.782 31.700 0.071 0.000 0.875 93 P HA 0.034 nan 4.420 nan 0.000 0.255 93 P C 0.385 177.727 177.300 0.070 0.000 1.248 93 P CA 0.649 63.787 63.100 0.063 0.000 0.807 93 P CB 0.272 31.997 31.700 0.041 0.000 1.150 94 D N -0.582 119.872 120.400 0.089 0.000 2.117 94 D HA -0.173 4.471 4.640 0.006 0.000 0.198 94 D C 1.795 178.157 176.300 0.104 0.000 0.982 94 D CA 1.054 55.106 54.000 0.088 0.000 0.828 94 D CB -0.421 40.437 40.800 0.096 0.000 0.967 94 D HN 0.362 nan 8.370 nan 0.000 0.464 95 H N 1.228 120.327 119.070 0.049 0.000 2.357 95 H HA -0.080 4.480 4.556 0.006 0.000 0.301 95 H C 1.525 176.860 175.328 0.011 0.000 1.082 95 H CA 1.934 58.007 56.048 0.041 0.000 1.342 95 H CB 0.155 29.932 29.762 0.024 0.000 1.389 95 H HN 0.020 nan 8.280 nan 0.000 0.511 96 T N 1.106 115.682 114.554 0.036 0.000 2.720 96 T HA -0.168 4.186 4.350 0.006 0.000 0.268 96 T C 2.165 176.819 174.700 -0.077 0.000 1.037 96 T CA 1.458 63.544 62.100 -0.023 0.000 1.144 96 T CB -0.236 68.661 68.868 0.049 0.000 0.864 96 T HN 0.323 nan 8.240 nan 0.000 0.444 97 R N 0.570 121.047 120.500 -0.038 0.000 2.081 97 R HA -0.006 4.338 4.340 0.006 0.000 0.235 97 R C 2.382 178.651 176.300 -0.051 0.000 1.131 97 R CA 1.153 57.235 56.100 -0.030 0.000 0.960 97 R CB -0.399 29.899 30.300 -0.004 0.000 0.856 97 R HN 0.376 nan 8.270 nan 0.000 0.436 98 L N -0.156 121.020 121.223 -0.078 0.000 2.044 98 L HA -0.091 4.253 4.340 0.006 0.000 0.205 98 L C 2.739 179.541 176.870 -0.112 0.000 1.075 98 L CA 1.278 56.072 54.840 -0.078 0.000 0.747 98 L CB -0.402 41.621 42.059 -0.061 0.000 0.903 98 L HN 0.106 nan 8.230 nan 0.000 0.435 99 R N 0.624 120.981 120.500 -0.239 0.000 2.103 99 R HA -0.224 4.119 4.340 0.006 0.000 0.242 99 R C 2.260 178.509 176.300 -0.085 0.000 1.142 99 R CA 1.752 57.723 56.100 -0.214 0.000 0.960 99 R CB -0.271 29.779 30.300 -0.416 0.000 0.858 99 R HN 0.143 nan 8.270 nan 0.000 0.439 100 K N -0.158 120.195 120.400 -0.078 0.000 2.032 100 K HA -0.144 4.180 4.320 0.006 0.000 0.209 100 K C 2.036 178.628 176.600 -0.013 0.000 1.048 100 K CA 1.861 58.129 56.287 -0.033 0.000 0.927 100 K CB -0.168 32.315 32.500 -0.028 0.000 0.712 100 K HN 0.210 nan 8.250 nan 0.000 0.441 101 L N 0.224 121.438 121.223 -0.016 0.000 2.005 101 L HA -0.190 4.153 4.340 0.006 0.000 0.207 101 L C 2.361 179.242 176.870 0.019 0.000 1.072 101 L CA 0.876 55.716 54.840 -0.000 0.000 0.744 101 L CB -0.436 41.620 42.059 -0.005 0.000 0.895 101 L HN 0.014 nan 8.230 nan 0.000 0.433 102 V N 0.315 120.242 119.914 0.022 0.000 2.287 102 V HA -0.264 3.859 4.120 0.006 0.000 0.248 102 V C 2.612 178.778 176.094 0.121 0.000 1.053 102 V CA 2.090 64.428 62.300 0.064 0.000 1.027 102 V CB -1.502 30.352 31.823 0.052 0.000 0.646 102 V HN 0.609 nan 8.190 nan 0.000 0.447 103 G N -0.463 108.390 108.800 0.088 0.000 2.462 103 G HA2 -0.237 3.727 3.960 0.006 0.000 0.220 103 G HA3 -0.237 3.727 3.960 0.006 0.000 0.220 103 G C 1.724 176.650 174.900 0.043 0.000 1.121 103 G CA 0.547 45.692 45.100 0.074 0.000 0.758 103 G HN 0.421 nan 8.290 nan 0.000 0.559 104 R N 0.437 120.958 120.500 0.036 0.000 2.096 104 R HA -0.080 4.263 4.340 0.006 0.000 0.235 104 R C 2.911 179.230 176.300 0.032 0.000 1.127 104 R CA 1.772 57.885 56.100 0.023 0.000 0.968 104 R CB -0.205 30.105 30.300 0.017 0.000 0.861 104 R HN 0.581 nan 8.270 nan 0.000 0.440 105 S N -0.729 115.008 115.700 0.062 0.000 2.545 105 S HA 0.010 4.484 4.470 0.006 0.000 0.232 105 S C 0.705 175.386 174.600 0.133 0.000 1.070 105 S CA -0.447 57.798 58.200 0.076 0.000 0.923 105 S CB -0.010 63.232 63.200 0.069 0.000 0.806 105 S HN 0.185 nan 8.310 nan 0.000 0.506 106 F N 5.455 125.402 119.950 -0.004 0.000 2.652 106 F HA 0.418 4.948 4.527 0.006 0.000 0.352 106 F C 0.509 176.309 175.800 -0.001 0.000 1.259 106 F CA -0.792 57.207 58.000 -0.001 0.000 1.249 106 F CB -0.624 38.377 39.000 0.000 0.000 1.628 106 F HN 0.277 nan 8.300 nan 0.000 0.654 107 T N -0.244 114.182 114.554 -0.213 0.000 2.902 107 T HA 0.297 4.651 4.350 0.006 0.000 0.280 107 T C 1.256 175.748 174.700 -0.346 0.000 0.992 107 T CA -0.649 61.315 62.100 -0.227 0.000 1.015 107 T CB 1.529 70.335 68.868 -0.102 0.000 1.044 107 T HN 0.087 nan 8.240 nan 0.000 0.520 108 V N 1.260 121.027 119.914 -0.244 0.000 2.720 108 V HA -0.106 4.018 4.120 0.006 0.000 0.256 108 V C 2.906 178.917 176.094 -0.138 0.000 1.082 108 V CA 1.401 63.579 62.300 -0.204 0.000 1.101 108 V CB -1.056 30.694 31.823 -0.122 0.000 0.693 108 V HN 0.796 nan 8.190 nan 0.000 0.479 109 R N -0.046 120.390 120.500 -0.107 0.000 2.066 109 R HA -0.121 4.222 4.340 0.006 0.000 0.232 109 R C 2.564 178.831 176.300 -0.056 0.000 1.131 109 R CA 1.543 57.604 56.100 -0.064 0.000 0.955 109 R CB -0.342 29.931 30.300 -0.045 0.000 0.851 109 R HN 0.409 nan 8.270 nan 0.000 0.432 110 R N 0.674 121.132 120.500 -0.069 0.000 2.081 110 R HA -0.093 4.251 4.340 0.006 0.000 0.235 110 R C 2.244 178.525 176.300 -0.032 0.000 1.131 110 R CA 1.453 57.534 56.100 -0.032 0.000 0.960 110 R CB -0.103 30.196 30.300 -0.000 0.000 0.856 110 R HN 0.130 nan 8.270 nan 0.000 0.436 111 M N 0.240 119.777 119.600 -0.104 0.000 2.108 111 M HA -0.205 4.279 4.480 0.006 0.000 0.261 111 M C 1.643 177.928 176.300 -0.025 0.000 1.066 111 M CA 2.061 57.315 55.300 -0.076 0.000 1.107 111 M CB -0.250 32.242 32.600 -0.179 0.000 1.356 111 M HN 0.294 nan 8.290 nan 0.000 0.406 112 N N -0.580 118.100 118.700 -0.033 0.000 2.300 112 N HA -0.108 4.636 4.740 0.006 0.000 0.179 112 N C 1.182 176.693 175.510 0.002 0.000 1.016 112 N CA 0.665 53.709 53.050 -0.010 0.000 0.876 112 N CB 0.016 38.494 38.487 -0.014 0.000 0.979 112 N HN 0.389 nan 8.380 nan 0.000 0.432 113 E N 0.503 120.703 120.200 -0.000 0.000 2.478 113 E HA -0.012 4.342 4.350 0.006 0.000 0.198 113 E C 1.194 177.803 176.600 0.015 0.000 1.046 113 E CA 0.293 56.697 56.400 0.007 0.000 0.870 113 E CB 0.154 29.856 29.700 0.004 0.000 0.818 113 E HN 0.395 nan 8.360 nan 0.000 0.527 114 L N 0.584 121.819 121.223 0.021 0.000 2.509 114 L HA -0.022 4.322 4.340 0.006 0.000 0.222 114 L C 2.360 179.247 176.870 0.029 0.000 1.123 114 L CA 0.184 55.041 54.840 0.028 0.000 0.856 114 L CB -0.072 42.012 42.059 0.041 0.000 0.985 114 L HN 0.138 nan 8.230 nan 0.000 0.456 115 E N 1.463 121.680 120.200 0.028 0.000 2.065 115 E HA -0.243 4.111 4.350 0.006 0.000 0.201 115 E C -0.549 176.070 176.600 0.032 0.000 1.016 115 E CA 1.967 58.387 56.400 0.033 0.000 0.818 115 E CB -0.833 28.886 29.700 0.031 0.000 0.749 115 E HN 0.333 nan 8.360 nan 0.000 0.453 116 P HA -0.107 nan 4.420 nan 0.000 0.217 116 P C 1.189 178.503 177.300 0.025 0.000 1.150 116 P CA 1.215 64.330 63.100 0.025 0.000 0.832 116 P CB -0.108 31.604 31.700 0.020 0.000 0.787 117 R N -0.261 120.252 120.500 0.022 0.000 2.075 117 R HA -0.011 4.333 4.340 0.006 0.000 0.232 117 R C 2.334 178.647 176.300 0.021 0.000 1.126 117 R CA 1.150 57.262 56.100 0.019 0.000 0.963 117 R CB -1.665 28.645 30.300 0.016 0.000 0.858 117 R HN 0.310 nan 8.270 nan 0.000 0.435 118 I N 1.108 121.695 120.570 0.027 0.000 2.208 118 I HA -0.259 3.914 4.170 0.006 0.000 0.245 118 I C 2.107 178.243 176.117 0.032 0.000 1.097 118 I CA 1.670 62.988 61.300 0.029 0.000 1.363 118 I CB -0.694 37.330 38.000 0.040 0.000 1.051 118 I HN 0.144 nan 8.210 nan 0.000 0.413 119 T N 0.068 114.646 114.554 0.040 0.000 2.720 119 T HA -0.216 4.138 4.350 0.006 0.000 0.268 119 T C 1.720 176.446 174.700 0.044 0.000 1.037 119 T CA 1.513 63.642 62.100 0.048 0.000 1.144 119 T CB -0.349 68.547 68.868 0.046 0.000 0.864 119 T HN 0.435 nan 8.240 nan 0.000 0.444 120 E N 0.319 120.539 120.200 0.033 0.000 2.268 120 E HA -0.001 4.352 4.350 0.006 0.000 0.195 120 E C 2.032 178.648 176.600 0.026 0.000 0.995 120 E CA 0.547 56.964 56.400 0.028 0.000 0.836 120 E CB -0.257 29.455 29.700 0.020 0.000 0.763 120 E HN 0.511 nan 8.360 nan 0.000 0.491 121 I N 0.775 121.356 120.570 0.020 0.000 2.233 121 I HA -0.221 3.953 4.170 0.006 0.000 0.243 121 I C 2.490 178.615 176.117 0.012 0.000 1.093 121 I CA 0.896 62.200 61.300 0.007 0.000 1.380 121 I CB -0.236 37.759 38.000 -0.008 0.000 1.067 121 I HN 0.077 nan 8.210 nan 0.000 0.413 122 A N 0.535 123.369 122.820 0.024 0.000 1.858 122 A HA -0.238 4.086 4.320 0.006 0.000 0.216 122 A C 2.009 179.684 177.584 0.153 0.000 1.190 122 A CA 2.075 54.159 52.037 0.079 0.000 0.617 122 A CB -0.686 18.383 19.000 0.115 0.000 0.827 122 A HN 0.337 nan 8.150 nan 0.000 0.443 123 D N -0.328 120.134 120.400 0.103 0.000 2.123 123 D HA -0.101 4.543 4.640 0.006 0.000 0.196 123 D C 2.088 178.430 176.300 0.071 0.000 0.992 123 D CA 1.489 55.539 54.000 0.084 0.000 0.833 123 D CB -0.752 40.083 40.800 0.058 0.000 0.954 123 D HN 0.437 nan 8.370 nan 0.000 0.455 124 G N 0.969 109.804 108.800 0.058 0.000 2.459 124 G HA2 -0.234 3.729 3.960 0.006 0.000 0.217 124 G HA3 -0.234 3.729 3.960 0.006 0.000 0.217 124 G C 1.840 176.776 174.900 0.059 0.000 1.183 124 G CA 0.468 45.594 45.100 0.045 0.000 0.776 124 G HN 0.252 nan 8.290 nan 0.000 0.552 125 L N -0.109 121.165 121.223 0.084 0.000 2.046 125 L HA -0.014 4.330 4.340 0.006 0.000 0.208 125 L C 2.940 179.902 176.870 0.154 0.000 1.077 125 L CA 0.577 55.490 54.840 0.123 0.000 0.747 125 L CB -0.313 41.831 42.059 0.142 0.000 0.896 125 L HN 0.186 nan 8.230 nan 0.000 0.432 126 L N -0.741 120.585 121.223 0.172 0.000 2.083 126 L HA -0.209 4.134 4.340 0.006 0.000 0.209 126 L C 2.768 179.656 176.870 0.031 0.000 1.083 126 L CA 1.145 56.034 54.840 0.081 0.000 0.752 126 L CB -0.639 41.461 42.059 0.068 0.000 0.899 126 L HN 0.258 nan 8.230 nan 0.000 0.433 127 A N -0.174 122.669 122.820 0.039 0.000 2.019 127 A HA -0.083 4.241 4.320 0.006 0.000 0.219 127 A C 2.039 179.631 177.584 0.014 0.000 1.164 127 A CA 1.514 53.563 52.037 0.020 0.000 0.644 127 A CB -0.803 18.210 19.000 0.022 0.000 0.805 127 A HN 0.448 nan 8.150 nan 0.000 0.449 128 G N -0.933 107.880 108.800 0.023 0.000 3.448 128 G HA2 0.454 4.417 3.960 0.006 0.000 0.261 128 G HA3 0.454 4.417 3.960 0.006 0.000 0.261 128 G C 0.038 174.943 174.900 0.008 0.000 1.173 128 G CA -0.263 44.846 45.100 0.015 0.000 0.835 128 G HN 0.323 nan 8.290 nan 0.000 0.534 129 L N 1.869 123.090 121.223 -0.002 0.000 2.333 129 L HA 0.388 4.731 4.340 0.006 0.000 0.280 129 L C -2.051 174.799 176.870 -0.034 0.000 1.004 129 L CA -2.171 52.656 54.840 -0.021 0.000 0.820 129 L CB 2.472 44.508 42.059 -0.038 0.000 1.247 129 L HN -0.058 nan 8.230 nan 0.000 0.416 130 P HA 0.077 nan 4.420 nan 0.000 0.271 130 P C 0.499 177.772 177.300 -0.044 0.000 1.216 130 P CA -0.190 62.889 63.100 -0.034 0.000 0.771 130 P CB 1.148 32.829 31.700 -0.031 0.000 0.864 131 T N 0.318 114.849 114.554 -0.038 0.000 2.665 131 T HA -0.143 4.211 4.350 0.006 0.000 0.268 131 T C 0.695 175.369 174.700 -0.043 0.000 1.035 131 T CA 1.545 63.621 62.100 -0.041 0.000 1.151 131 T CB -0.474 68.375 68.868 -0.031 0.000 0.862 131 T HN 0.503 nan 8.240 nan 0.000 0.438 132 D N 0.785 121.163 120.400 -0.037 0.000 2.373 132 D HA 0.414 5.058 4.640 0.006 0.000 0.227 132 D C 0.623 176.900 176.300 -0.039 0.000 1.091 132 D CA -0.171 53.808 54.000 -0.036 0.000 0.840 132 D CB 1.035 41.818 40.800 -0.028 0.000 1.060 132 D HN 0.241 nan 8.370 nan 0.000 0.502 133 G N 3.694 112.466 108.800 -0.046 0.000 2.481 133 G HA2 0.271 4.234 3.960 0.006 0.000 0.251 133 G HA3 0.271 4.234 3.960 0.006 0.000 0.251 133 G C -2.151 172.725 174.900 -0.041 0.000 1.492 133 G CA -0.489 44.581 45.100 -0.049 0.000 1.060 133 G HN 0.405 nan 8.290 nan 0.000 0.553 134 P HA 0.427 nan 4.420 nan 0.000 0.284 134 P C -0.591 176.675 177.300 -0.056 0.000 1.253 134 P CA -0.443 62.627 63.100 -0.050 0.000 0.800 134 P CB 1.537 33.210 31.700 -0.046 0.000 0.961 135 V N -1.341 118.532 119.914 -0.067 0.000 2.735 135 V HA 0.513 4.636 4.120 0.006 0.000 0.310 135 V C -0.443 175.600 176.094 -0.085 0.000 1.061 135 V CA -1.052 61.205 62.300 -0.071 0.000 0.913 135 V CB 2.027 33.808 31.823 -0.070 0.000 1.005 135 V HN 0.357 nan 8.190 nan 0.000 0.428 136 D N 2.785 123.129 120.400 -0.094 0.000 2.359 136 D HA 0.150 4.794 4.640 0.006 0.000 0.250 136 D C 0.692 176.917 176.300 -0.125 0.000 1.264 136 D CA -0.140 53.785 54.000 -0.124 0.000 0.911 136 D CB 1.251 41.958 40.800 -0.155 0.000 1.056 136 D HN 0.625 nan 8.370 nan 0.000 0.499 137 L N 4.661 125.821 121.223 -0.106 0.000 2.191 137 L HA -0.141 4.202 4.340 0.006 0.000 0.212 137 L C 1.790 178.643 176.870 -0.029 0.000 1.103 137 L CA 1.311 56.116 54.840 -0.059 0.000 0.769 137 L CB -0.252 41.764 42.059 -0.073 0.000 0.908 137 L HN 0.497 nan 8.230 nan 0.000 0.438 138 M N -1.103 118.405 119.600 -0.153 0.000 2.074 138 M HA -0.173 4.311 4.480 0.006 0.000 0.259 138 M C 2.471 178.415 176.300 -0.593 0.000 1.079 138 M CA 1.567 56.693 55.300 -0.289 0.000 1.119 138 M CB -1.418 30.928 32.600 -0.422 0.000 1.297 138 M HN 0.076 nan 8.290 nan 0.000 0.416 139 R N 0.515 120.515 120.500 -0.833 0.000 2.127 139 R HA -0.123 4.221 4.340 0.006 0.000 0.238 139 R C 1.865 178.060 176.300 -0.175 0.000 1.134 139 R CA 1.276 56.973 56.100 -0.672 0.000 0.975 139 R CB -0.041 29.995 30.300 -0.441 0.000 0.865 139 R HN 0.347 nan 8.270 nan 0.000 0.447 140 E N -2.227 117.915 120.200 -0.097 0.000 2.364 140 E HA -0.044 4.309 4.350 0.006 0.000 0.196 140 E C 0.603 177.279 176.600 0.128 0.000 0.990 140 E CA 0.650 57.059 56.400 0.016 0.000 0.886 140 E CB 0.260 29.961 29.700 0.001 0.000 0.866 140 E HN 0.425 nan 8.360 nan 0.000 0.493 141 Y N -0.450 119.842 120.300 -0.013 0.000 3.012 141 Y HA 0.347 4.900 4.550 0.006 0.000 0.236 141 Y C 2.043 177.993 175.900 0.082 0.000 1.017 141 Y CA 0.813 58.927 58.100 0.024 0.000 1.364 141 Y CB -0.146 38.309 38.460 -0.009 0.000 1.491 141 Y HN -0.080 nan 8.280 nan 0.000 0.435 142 A N 0.162 123.094 122.820 0.187 0.000 1.968 142 A HA -0.052 4.272 4.320 0.006 0.000 0.217 142 A C 1.903 179.638 177.584 0.250 0.000 1.169 142 A CA 1.220 53.356 52.037 0.164 0.000 0.638 142 A CB -1.349 17.789 19.000 0.229 0.000 0.812 142 A HN 0.614 nan 8.150 nan 0.000 0.446 143 F N -0.376 119.580 119.950 0.010 0.000 2.293 143 F HA -0.179 4.351 4.527 0.005 0.000 0.300 143 F C 2.783 178.649 175.800 0.111 0.000 1.086 143 F CA 0.686 58.706 58.000 0.033 0.000 1.375 143 F CB 0.213 39.235 39.000 0.037 0.000 1.045 143 F HN 0.251 nan 8.300 nan 0.000 0.516 144 Q N 0.166 120.094 119.800 0.212 0.000 2.134 144 Q HA -0.020 4.323 4.340 0.006 0.000 0.195 144 Q C 2.414 178.440 176.000 0.043 0.000 0.958 144 Q CA 0.925 56.794 55.803 0.109 0.000 0.840 144 Q CB -0.398 28.365 28.738 0.042 0.000 0.918 144 Q HN 0.461 nan 8.270 nan 0.000 0.467 145 I N 1.629 122.169 120.570 -0.050 0.000 2.127 145 I HA -0.249 3.925 4.170 0.006 0.000 0.241 145 I C -0.657 175.479 176.117 0.032 0.000 1.075 145 I CA 1.384 62.645 61.300 -0.064 0.000 1.334 145 I CB -1.613 36.285 38.000 -0.171 0.000 1.040 145 I HN 0.130 nan 8.210 nan 0.000 0.405 146 P HA -0.135 nan 4.420 nan 0.000 0.218 146 P C 1.942 179.331 177.300 0.148 0.000 1.149 146 P CA 1.062 64.264 63.100 0.169 0.000 0.817 146 P CB 0.057 31.913 31.700 0.261 0.000 0.785 147 V N -0.642 119.327 119.914 0.091 0.000 2.488 147 V HA -0.202 3.921 4.120 0.006 0.000 0.246 147 V C 2.213 178.304 176.094 -0.005 0.000 1.046 147 V CA 1.771 64.000 62.300 -0.118 0.000 1.053 147 V CB -0.808 30.798 31.823 -0.361 0.000 0.679 147 V HN 0.065 nan 8.190 nan 0.000 0.458 148 Q N -0.729 119.075 119.800 0.008 0.000 2.079 148 Q HA -0.146 4.198 4.340 0.006 0.000 0.200 148 Q C 2.252 178.248 176.000 -0.007 0.000 0.974 148 Q CA 1.934 57.733 55.803 -0.006 0.000 0.840 148 Q CB -0.179 28.555 28.738 -0.008 0.000 0.898 148 Q HN 0.587 nan 8.270 nan 0.000 0.430 149 V N 1.079 121.002 119.914 0.015 0.000 2.343 149 V HA -0.269 3.854 4.120 0.006 0.000 0.247 149 V C 2.118 178.228 176.094 0.026 0.000 1.051 149 V CA 1.554 63.870 62.300 0.027 0.000 1.036 149 V CB -0.421 31.431 31.823 0.048 0.000 0.654 149 V HN 0.356 nan 8.190 nan 0.000 0.451 150 I N -0.740 119.849 120.570 0.032 0.000 2.286 150 I HA -0.279 3.895 4.170 0.006 0.000 0.248 150 I C 2.548 178.643 176.117 -0.038 0.000 1.115 150 I CA 1.413 62.729 61.300 0.027 0.000 1.392 150 I CB -0.415 37.626 38.000 0.069 0.000 1.065 150 I HN 0.370 nan 8.210 nan 0.000 0.418 151 C N 0.399 119.644 119.300 -0.092 0.000 2.432 151 C HA -0.138 4.326 4.460 0.006 0.000 0.277 151 C C 2.715 177.636 174.990 -0.114 0.000 1.249 151 C CA 0.639 59.538 59.018 -0.199 0.000 1.725 151 C CB -0.936 26.674 27.740 -0.216 0.000 2.028 151 C HN 0.477 nan 8.230 nan 0.000 0.477 152 E N 0.413 120.578 120.200 -0.057 0.000 2.110 152 E HA -0.171 4.183 4.350 0.006 0.000 0.193 152 E C 1.995 178.589 176.600 -0.010 0.000 0.988 152 E CA 0.892 57.276 56.400 -0.028 0.000 0.804 152 E CB -0.490 29.206 29.700 -0.007 0.000 0.745 152 E HN 0.612 nan 8.360 nan 0.000 0.458 153 L N 0.549 121.775 121.223 0.005 0.000 2.005 153 L HA -0.123 4.221 4.340 0.006 0.000 0.207 153 L C 2.269 179.142 176.870 0.005 0.000 1.072 153 L CA 1.421 56.282 54.840 0.036 0.000 0.744 153 L CB -0.345 41.756 42.059 0.070 0.000 0.895 153 L HN 0.042 nan 8.230 nan 0.000 0.433 154 L N -0.563 120.638 121.223 -0.037 0.000 2.240 154 L HA 0.159 4.503 4.340 0.006 0.000 0.211 154 L C 1.427 178.260 176.870 -0.063 0.000 1.106 154 L CA 0.659 55.465 54.840 -0.057 0.000 0.793 154 L CB -0.791 41.218 42.059 -0.084 0.000 0.927 154 L HN 0.565 nan 8.230 nan 0.000 0.446 155 G N 0.452 109.210 108.800 -0.071 0.000 2.207 155 G HA2 -0.206 3.758 3.960 0.006 0.000 0.216 155 G HA3 -0.206 3.758 3.960 0.006 0.000 0.216 155 G C -0.012 174.841 174.900 -0.078 0.000 1.053 155 G CA -0.228 44.835 45.100 -0.061 0.000 0.764 155 G HN 0.040 nan 8.290 nan 0.000 0.495 156 V N 1.439 121.275 119.914 -0.129 0.000 2.485 156 V HA 0.236 4.359 4.120 0.006 0.000 0.287 156 V C -1.096 174.954 176.094 -0.073 0.000 1.022 156 V CA -0.710 61.513 62.300 -0.129 0.000 1.067 156 V CB 0.905 32.514 31.823 -0.357 0.000 0.967 156 V HN 0.256 nan 8.190 nan 0.000 0.479 157 P HA 0.043 nan 4.420 nan 0.000 0.262 157 P C 0.694 177.981 177.300 -0.022 0.000 1.182 157 P CA 0.237 63.335 63.100 -0.004 0.000 0.761 157 P CB 0.684 32.403 31.700 0.032 0.000 0.795 158 A N 4.089 126.893 122.820 -0.027 0.000 2.042 158 A HA -0.280 4.044 4.320 0.006 0.000 0.222 158 A C 1.722 179.285 177.584 -0.036 0.000 1.167 158 A CA 1.994 54.011 52.037 -0.034 0.000 0.649 158 A CB -0.920 18.066 19.000 -0.024 0.000 0.809 158 A HN 0.618 nan 8.150 nan 0.000 0.457 159 E N 0.369 120.556 120.200 -0.022 0.000 2.072 159 E HA -0.112 4.242 4.350 0.006 0.000 0.190 159 E C 1.089 177.661 176.600 -0.046 0.000 0.982 159 E CA 1.209 57.595 56.400 -0.024 0.000 0.803 159 E CB -0.227 29.473 29.700 -0.002 0.000 0.755 159 E HN 0.546 nan 8.360 nan 0.000 0.453 160 D N 0.372 120.749 120.400 -0.040 0.000 2.349 160 D HA 0.016 4.660 4.640 0.006 0.000 0.224 160 D C 1.483 177.676 176.300 -0.178 0.000 1.029 160 D CA 0.232 54.174 54.000 -0.096 0.000 0.879 160 D CB 0.053 40.858 40.800 0.008 0.000 0.906 160 D HN 0.155 nan 8.370 nan 0.000 0.528 161 R N 0.510 120.933 120.500 -0.129 0.000 2.115 161 R HA -0.067 4.277 4.340 0.006 0.000 0.226 161 R C 1.351 177.580 176.300 -0.117 0.000 1.100 161 R CA 0.863 56.895 56.100 -0.113 0.000 0.980 161 R CB 0.014 30.260 30.300 -0.090 0.000 0.875 161 R HN 0.092 nan 8.270 nan 0.000 0.445 162 D N 0.675 120.986 120.400 -0.148 0.000 2.097 162 D HA -0.137 4.507 4.640 0.006 0.000 0.195 162 D C 1.345 177.455 176.300 -0.317 0.000 0.989 162 D CA 1.320 55.217 54.000 -0.173 0.000 0.827 162 D CB -0.204 40.513 40.800 -0.138 0.000 0.966 162 D HN 0.087 nan 8.370 nan 0.000 0.456 163 D N -0.686 119.440 120.400 -0.456 0.000 2.149 163 D HA -0.144 4.499 4.640 0.006 0.000 0.198 163 D C 1.607 177.079 176.300 -1.380 0.000 0.990 163 D CA 0.532 53.969 54.000 -0.938 0.000 0.839 163 D CB -0.278 39.978 40.800 -0.907 0.000 0.948 163 D HN 0.148 nan 8.370 nan 0.000 0.460 164 F N 1.116 120.520 119.950 -0.911 0.000 2.113 164 F HA -0.163 4.368 4.527 0.006 0.000 0.297 164 F C 2.456 178.063 175.800 -0.322 0.000 1.103 164 F CA 1.146 58.825 58.000 -0.534 0.000 1.248 164 F CB -0.115 38.692 39.000 -0.322 0.000 0.999 164 F HN -0.159 nan 8.300 nan 0.000 0.475 165 S N 0.285 115.912 115.700 -0.120 0.000 2.382 165 S HA -0.164 4.309 4.470 0.006 0.000 0.228 165 S C 2.293 176.803 174.600 -0.150 0.000 1.027 165 S CA 0.885 59.019 58.200 -0.110 0.000 0.991 165 S CB -0.832 62.340 63.200 -0.048 0.000 0.823 165 S HN 0.494 nan 8.310 nan 0.000 0.469 166 A N 1.672 124.330 122.820 -0.270 0.000 1.865 166 A HA -0.151 4.173 4.320 0.006 0.000 0.217 166 A C 1.880 179.398 177.584 -0.109 0.000 1.191 166 A CA 1.538 53.436 52.037 -0.232 0.000 0.623 166 A CB -0.949 17.823 19.000 -0.380 0.000 0.826 166 A HN 0.672 nan 8.150 nan 0.000 0.444 167 W N 0.312 121.530 121.300 -0.136 0.000 2.402 167 W HA 0.005 4.668 4.660 0.006 0.000 0.286 167 W C 2.516 178.929 176.519 -0.176 0.000 1.221 167 W CA 0.792 58.038 57.345 -0.165 0.000 1.257 167 W CB -1.562 27.757 29.460 -0.234 0.000 1.120 167 W HN 0.346 nan 8.180 nan 0.000 0.551 168 S N 0.255 115.933 115.700 -0.037 0.000 2.383 168 S HA -0.139 4.335 4.470 0.006 0.000 0.227 168 S C 2.004 176.650 174.600 0.076 0.000 1.026 168 S CA 1.485 59.648 58.200 -0.061 0.000 0.981 168 S CB -0.422 62.614 63.200 -0.273 0.000 0.818 168 S HN 0.113 nan 8.310 nan 0.000 0.472 169 S N 1.155 116.896 115.700 0.068 0.000 2.399 169 S HA -0.066 4.407 4.470 0.006 0.000 0.231 169 S C 1.972 176.592 174.600 0.034 0.000 1.022 169 S CA 0.889 59.126 58.200 0.061 0.000 0.983 169 S CB -0.331 62.946 63.200 0.127 0.000 0.803 169 S HN 0.360 nan 8.310 nan 0.000 0.480 170 V N 2.095 122.040 119.914 0.051 0.000 2.407 170 V HA -0.176 3.948 4.120 0.006 0.000 0.248 170 V C 2.086 178.185 176.094 0.008 0.000 1.055 170 V CA 1.512 63.836 62.300 0.040 0.000 1.049 170 V CB -0.799 31.057 31.823 0.055 0.000 0.662 170 V HN 0.447 nan 8.190 nan 0.000 0.455 171 L N -0.703 120.521 121.223 0.002 0.000 2.093 171 L HA -0.102 4.242 4.340 0.006 0.000 0.208 171 L C 2.369 179.205 176.870 -0.056 0.000 1.085 171 L CA 0.923 55.754 54.840 -0.015 0.000 0.755 171 L CB -0.695 41.368 42.059 0.007 0.000 0.904 171 L HN 0.188 nan 8.230 nan 0.000 0.435 172 V N -0.800 119.041 119.914 -0.122 0.000 2.232 172 V HA -0.164 3.960 4.120 0.006 0.000 0.239 172 V C 0.341 176.354 176.094 -0.135 0.000 1.040 172 V CA 1.446 63.598 62.300 -0.246 0.000 0.996 172 V CB -0.205 31.241 31.823 -0.628 0.000 0.638 172 V HN 0.330 nan 8.190 nan 0.000 0.453 173 D N -0.538 119.820 120.400 -0.070 0.000 2.440 173 D HA 0.431 5.074 4.640 0.006 0.000 0.252 173 D C -0.816 175.534 176.300 0.083 0.000 1.180 173 D CA -0.186 53.859 54.000 0.075 0.000 0.894 173 D CB 0.562 41.525 40.800 0.272 0.000 1.111 173 D HN 0.301 nan 8.370 nan 0.000 0.544 174 D N 0.715 121.138 120.400 0.038 0.000 3.435 174 D HA 0.155 4.799 4.640 0.006 0.000 0.352 174 D C -0.759 175.548 176.300 0.011 0.000 1.460 174 D CA -0.567 53.453 54.000 0.033 0.000 0.935 174 D CB 1.221 42.042 40.800 0.035 0.000 1.468 174 D HN 0.081 nan 8.370 nan 0.000 0.573 175 S N 1.868 117.573 115.700 0.008 0.000 2.498 175 S HA 0.242 4.715 4.470 0.006 0.000 0.314 175 S C -1.868 172.726 174.600 -0.009 0.000 1.141 175 S CA -0.782 57.417 58.200 -0.003 0.000 1.087 175 S CB 0.889 64.089 63.200 -0.001 0.000 1.178 175 S HN 0.202 nan 8.310 nan 0.000 0.533 176 P HA 0.127 nan 4.420 nan 0.000 0.245 176 P C 0.856 178.141 177.300 -0.024 0.000 1.212 176 P CA 0.144 63.230 63.100 -0.023 0.000 0.774 176 P CB 0.149 31.830 31.700 -0.031 0.000 0.999 177 A N 0.855 123.662 122.820 -0.022 0.000 2.582 177 A HA -0.085 4.238 4.320 0.006 0.000 0.183 177 A C 1.934 179.503 177.584 -0.025 0.000 1.414 177 A CA 1.425 53.448 52.037 -0.023 0.000 0.708 177 A CB -1.136 17.853 19.000 -0.020 0.000 1.020 177 A HN -0.001 nan 8.150 nan 0.000 0.517 178 D N -0.787 119.599 120.400 -0.023 0.000 2.213 178 D HA -0.042 4.602 4.640 0.006 0.000 0.205 178 D C 1.156 177.440 176.300 -0.027 0.000 0.961 178 D CA 1.129 55.113 54.000 -0.027 0.000 0.853 178 D CB -0.354 40.431 40.800 -0.024 0.000 0.967 178 D HN 0.372 nan 8.370 nan 0.000 0.496 179 D N 0.766 121.154 120.400 -0.019 0.000 2.219 179 D HA -0.078 4.566 4.640 0.006 0.000 0.205 179 D C 1.867 178.158 176.300 -0.016 0.000 0.970 179 D CA 0.668 54.660 54.000 -0.014 0.000 0.851 179 D CB 0.080 40.878 40.800 -0.003 0.000 0.943 179 D HN 0.091 nan 8.370 nan 0.000 0.488 180 K N 0.168 120.556 120.400 -0.019 0.000 2.155 180 K HA -0.037 4.286 4.320 0.006 0.000 0.203 180 K C 1.678 178.258 176.600 -0.035 0.000 1.052 180 K CA 0.498 56.773 56.287 -0.021 0.000 0.948 180 K CB 0.128 32.614 32.500 -0.022 0.000 0.728 180 K HN 0.022 nan 8.250 nan 0.000 0.448 181 N N 0.489 119.163 118.700 -0.042 0.000 2.457 181 N HA -0.046 4.698 4.740 0.006 0.000 0.180 181 N C 1.390 176.857 175.510 -0.071 0.000 1.050 181 N CA 0.630 53.647 53.050 -0.056 0.000 0.906 181 N CB 0.252 38.706 38.487 -0.055 0.000 0.968 181 N HN 0.162 nan 8.380 nan 0.000 0.445 182 A N 0.780 123.560 122.820 -0.066 0.000 1.898 182 A HA 0.028 4.351 4.320 0.006 0.000 0.216 182 A C 2.282 179.784 177.584 -0.136 0.000 1.181 182 A CA 1.679 53.664 52.037 -0.086 0.000 0.620 182 A CB -0.685 18.278 19.000 -0.061 0.000 0.819 182 A HN 0.330 nan 8.150 nan 0.000 0.442 183 A N -1.567 121.184 122.820 -0.116 0.000 2.066 183 A HA 0.060 4.384 4.320 0.006 0.000 0.218 183 A C 2.060 179.541 177.584 -0.172 0.000 1.157 183 A CA 1.772 53.710 52.037 -0.165 0.000 0.670 183 A CB -0.418 18.563 19.000 -0.031 0.000 0.804 183 A HN 0.484 nan 8.150 nan 0.000 0.453 184 M N 0.138 119.672 119.600 -0.111 0.000 2.067 184 M HA -0.029 4.455 4.480 0.006 0.000 0.260 184 M C 2.048 178.298 176.300 -0.083 0.000 1.069 184 M CA 1.936 57.187 55.300 -0.081 0.000 1.117 184 M CB -0.825 31.735 32.600 -0.066 0.000 1.334 184 M HN 0.334 nan 8.290 nan 0.000 0.407 185 G N -0.491 108.241 108.800 -0.113 0.000 2.422 185 G HA2 -0.177 3.787 3.960 0.006 0.000 0.218 185 G HA3 -0.177 3.787 3.960 0.006 0.000 0.218 185 G C 1.687 176.509 174.900 -0.130 0.000 1.140 185 G CA 0.654 45.694 45.100 -0.101 0.000 0.775 185 G HN 0.298 nan 8.290 nan 0.000 0.545 186 K N 0.061 120.288 120.400 -0.290 0.000 2.062 186 K HA 0.144 4.467 4.320 0.006 0.000 0.205 186 K C 2.524 178.818 176.600 -0.510 0.000 1.051 186 K CA 0.489 56.449 56.287 -0.546 0.000 0.941 186 K CB -0.462 31.426 32.500 -1.021 0.000 0.719 186 K HN 0.335 nan 8.250 nan 0.000 0.440 187 L N 0.161 121.178 121.223 -0.343 0.000 2.109 187 L HA -0.154 4.190 4.340 0.006 0.000 0.207 187 L C 2.715 179.636 176.870 0.086 0.000 1.086 187 L CA 0.988 55.777 54.840 -0.085 0.000 0.760 187 L CB -0.459 41.537 42.059 -0.106 0.000 0.910 187 L HN 0.337 nan 8.230 nan 0.000 0.437 188 H N 0.193 119.239 119.070 -0.040 0.000 2.293 188 H HA -0.142 4.418 4.556 0.006 0.000 0.300 188 H C 2.019 177.351 175.328 0.006 0.000 1.082 188 H CA 1.880 57.924 56.048 -0.006 0.000 1.308 188 H CB -0.009 29.732 29.762 -0.035 0.000 1.375 188 H HN 0.317 nan 8.280 nan 0.000 0.495 189 G N -0.202 108.649 108.800 0.085 0.000 2.446 189 G HA2 -0.353 3.611 3.960 0.006 0.000 0.217 189 G HA3 -0.353 3.611 3.960 0.006 0.000 0.217 189 G C 1.754 176.666 174.900 0.019 0.000 1.168 189 G CA 0.961 46.081 45.100 0.034 0.000 0.771 189 G HN 0.583 nan 8.290 nan 0.000 0.551 190 Y N 1.197 121.477 120.300 -0.032 0.000 2.165 190 Y HA -0.073 4.481 4.550 0.006 0.000 0.286 190 Y C 2.492 178.436 175.900 0.073 0.000 1.155 190 Y CA 1.536 59.679 58.100 0.071 0.000 1.164 190 Y CB -0.283 38.314 38.460 0.227 0.000 0.978 190 Y HN 0.129 nan 8.280 nan 0.000 0.513 191 L N -0.826 120.351 121.223 -0.076 0.000 2.093 191 L HA -0.199 4.144 4.340 0.006 0.000 0.208 191 L C 2.519 179.247 176.870 -0.236 0.000 1.085 191 L CA 1.268 55.999 54.840 -0.183 0.000 0.755 191 L CB -0.660 41.400 42.059 0.000 0.000 0.904 191 L HN 0.158 nan 8.230 nan 0.000 0.435 192 S N 0.037 115.600 115.700 -0.228 0.000 2.351 192 S HA -0.202 4.272 4.470 0.006 0.000 0.220 192 S C 1.526 176.031 174.600 -0.157 0.000 1.035 192 S CA 1.637 59.724 58.200 -0.188 0.000 1.031 192 S CB -0.393 62.706 63.200 -0.167 0.000 0.928 192 S HN 0.466 nan 8.310 nan 0.000 0.433 193 D N 1.351 121.658 120.400 -0.156 0.000 2.182 193 D HA -0.062 4.582 4.640 0.006 0.000 0.201 193 D C 1.836 178.022 176.300 -0.190 0.000 0.986 193 D CA 0.502 54.421 54.000 -0.134 0.000 0.847 193 D CB -0.403 40.345 40.800 -0.087 0.000 0.942 193 D HN 0.269 nan 8.370 nan 0.000 0.467 194 L N 0.210 121.237 121.223 -0.327 0.000 2.056 194 L HA -0.136 4.208 4.340 0.006 0.000 0.207 194 L C 2.160 178.917 176.870 -0.188 0.000 1.078 194 L CA 0.573 55.214 54.840 -0.332 0.000 0.749 194 L CB -0.041 41.699 42.059 -0.532 0.000 0.901 194 L HN 0.034 nan 8.230 nan 0.000 0.433 195 L N -0.000 121.124 121.223 -0.165 0.000 2.042 195 L HA -0.250 4.093 4.340 0.006 0.000 0.210 195 L C 2.378 179.199 176.870 -0.083 0.000 1.076 195 L CA 1.768 56.543 54.840 -0.108 0.000 0.749 195 L CB -1.172 40.829 42.059 -0.098 0.000 0.893 195 L HN 0.282 nan 8.230 nan 0.000 0.432 196 E N -1.061 119.089 120.200 -0.082 0.000 2.338 196 E HA -0.158 4.196 4.350 0.006 0.000 0.197 196 E C 2.289 178.857 176.600 -0.052 0.000 1.007 196 E CA 0.415 56.780 56.400 -0.058 0.000 0.849 196 E CB -0.026 29.644 29.700 -0.051 0.000 0.774 196 E HN 0.241 nan 8.360 nan 0.000 0.506 197 R N 0.223 120.683 120.500 -0.067 0.000 2.100 197 R HA -0.009 4.335 4.340 0.006 0.000 0.220 197 R C 1.411 177.683 176.300 -0.046 0.000 1.091 197 R CA 0.684 56.753 56.100 -0.052 0.000 0.986 197 R CB 0.237 30.502 30.300 -0.060 0.000 0.888 197 R HN -0.078 nan 8.270 nan 0.000 0.444 198 K N 0.596 120.962 120.400 -0.056 0.000 2.211 198 K HA -0.108 4.216 4.320 0.006 0.000 0.203 198 K C 2.009 178.589 176.600 -0.033 0.000 1.050 198 K CA 0.969 57.229 56.287 -0.045 0.000 0.945 198 K CB -0.108 32.360 32.500 -0.053 0.000 0.732 198 K HN 0.211 nan 8.250 nan 0.000 0.451 199 R N 0.067 120.547 120.500 -0.034 0.000 2.092 199 R HA -0.064 4.280 4.340 0.006 0.000 0.231 199 R C 2.175 178.463 176.300 -0.020 0.000 1.119 199 R CA 1.687 57.772 56.100 -0.025 0.000 0.970 199 R CB -0.138 30.146 30.300 -0.026 0.000 0.864 199 R HN 0.160 nan 8.270 nan 0.000 0.440 200 T N 0.657 115.199 114.554 -0.020 0.000 2.770 200 T HA -0.091 4.263 4.350 0.006 0.000 0.258 200 T C 0.365 175.057 174.700 -0.014 0.000 1.039 200 T CA 1.069 63.160 62.100 -0.015 0.000 1.143 200 T CB 0.002 68.861 68.868 -0.015 0.000 0.866 200 T HN 0.422 nan 8.240 nan 0.000 0.428 201 E N 2.452 122.642 120.200 -0.016 0.000 2.121 201 E HA 0.415 4.769 4.350 0.006 0.000 0.255 201 E C -3.077 173.513 176.600 -0.016 0.000 0.906 201 E CA -2.381 54.011 56.400 -0.014 0.000 0.745 201 E CB 1.279 30.972 29.700 -0.012 0.000 1.155 201 E HN 0.198 nan 8.360 nan 0.000 0.424 202 P HA 0.221 nan 4.420 nan 0.000 0.278 202 P C -0.890 176.404 177.300 -0.012 0.000 1.258 202 P CA -0.230 62.862 63.100 -0.014 0.000 0.811 202 P CB 0.848 32.542 31.700 -0.011 0.000 1.063 203 D N -1.260 119.133 120.400 -0.011 0.000 2.812 203 D HA 0.109 4.752 4.640 0.006 0.000 0.318 203 D C 0.312 176.609 176.300 -0.004 0.000 1.234 203 D CA -0.361 53.635 54.000 -0.008 0.000 0.989 203 D CB -0.323 40.470 40.800 -0.011 0.000 1.442 203 D HN 0.310 nan 8.370 nan 0.000 0.537 204 D N -0.165 120.234 120.400 -0.002 0.000 2.178 204 D HA 0.017 4.660 4.640 0.006 0.000 0.202 204 D C 0.796 177.101 176.300 0.007 0.000 0.974 204 D CA 1.177 55.179 54.000 0.003 0.000 0.841 204 D CB -0.148 40.654 40.800 0.004 0.000 0.953 204 D HN 0.633 nan 8.370 nan 0.000 0.478 205 A N -0.210 122.611 122.820 0.002 0.000 2.492 205 A HA 0.145 4.469 4.320 0.006 0.000 0.236 205 A C 1.233 178.823 177.584 0.011 0.000 1.078 205 A CA -0.106 51.934 52.037 0.004 0.000 0.773 205 A CB -0.059 18.934 19.000 -0.013 0.000 1.023 205 A HN 0.400 nan 8.150 nan 0.000 0.504 206 L N 1.226 122.463 121.223 0.023 0.000 2.083 206 L HA -0.129 4.215 4.340 0.006 0.000 0.209 206 L C 2.096 178.970 176.870 0.006 0.000 1.083 206 L CA 1.665 56.527 54.840 0.037 0.000 0.752 206 L CB -0.526 41.572 42.059 0.066 0.000 0.899 206 L HN 0.749 nan 8.230 nan 0.000 0.433 207 L N -1.395 119.817 121.223 -0.018 0.000 2.046 207 L HA -0.222 4.122 4.340 0.006 0.000 0.208 207 L C 2.519 179.374 176.870 -0.026 0.000 1.077 207 L CA 1.480 56.300 54.840 -0.033 0.000 0.747 207 L CB -0.628 41.399 42.059 -0.052 0.000 0.896 207 L HN 0.247 nan 8.230 nan 0.000 0.432 208 S N -0.983 114.704 115.700 -0.020 0.000 2.368 208 S HA -0.206 4.268 4.470 0.006 0.000 0.225 208 S C 2.200 176.797 174.600 -0.006 0.000 1.030 208 S CA 1.602 59.793 58.200 -0.016 0.000 0.999 208 S CB -0.148 63.044 63.200 -0.013 0.000 0.844 208 S HN 0.398 nan 8.310 nan 0.000 0.459 209 S N 1.103 116.805 115.700 0.004 0.000 2.368 209 S HA -0.007 4.467 4.470 0.006 0.000 0.225 209 S C 1.784 176.392 174.600 0.013 0.000 1.030 209 S CA 0.963 59.172 58.200 0.014 0.000 0.999 209 S CB -0.424 62.794 63.200 0.030 0.000 0.844 209 S HN 0.432 nan 8.310 nan 0.000 0.459 210 L N 0.837 122.065 121.223 0.010 0.000 2.083 210 L HA -0.057 4.286 4.340 0.006 0.000 0.209 210 L C 2.345 179.214 176.870 -0.003 0.000 1.083 210 L CA 0.908 55.752 54.840 0.006 0.000 0.752 210 L CB -0.439 41.617 42.059 -0.005 0.000 0.899 210 L HN 0.342 nan 8.230 nan 0.000 0.433 211 L N -0.530 120.688 121.223 -0.009 0.000 2.131 211 L HA -0.169 4.174 4.340 0.006 0.000 0.210 211 L C 2.557 179.423 176.870 -0.007 0.000 1.092 211 L CA 1.034 55.867 54.840 -0.012 0.000 0.759 211 L CB -0.496 41.553 42.059 -0.017 0.000 0.903 211 L HN 0.237 nan 8.230 nan 0.000 0.435 212 A N -0.990 121.828 122.820 -0.003 0.000 2.218 212 A HA 0.127 4.450 4.320 0.006 0.000 0.209 212 A C 0.920 178.505 177.584 0.001 0.000 1.168 212 A CA -0.033 52.004 52.037 -0.001 0.000 0.804 212 A CB -0.090 18.910 19.000 0.000 0.000 0.834 212 A HN 0.091 nan 8.150 nan 0.000 0.482 213 V N 1.788 121.704 119.914 0.003 0.000 2.415 213 V HA 0.232 4.355 4.120 0.006 0.000 0.267 213 V C 0.455 176.551 176.094 0.003 0.000 1.042 213 V CA 0.062 62.365 62.300 0.005 0.000 1.000 213 V CB 0.374 32.203 31.823 0.011 0.000 1.015 213 V HN 0.421 nan 8.190 nan 0.000 0.478 214 S N 3.530 119.232 115.700 0.002 0.000 2.667 214 S HA 0.679 5.153 4.470 0.006 0.000 0.292 214 S C -0.392 174.209 174.600 0.001 0.000 1.108 214 S CA -0.618 57.583 58.200 0.001 0.000 0.992 214 S CB 1.482 64.683 63.200 0.000 0.000 1.269 214 S HN 0.992 nan 8.310 nan 0.000 0.528 215 D N -0.746 119.654 120.400 0.001 0.000 2.838 215 D HA 0.150 4.794 4.640 0.006 0.000 0.334 215 D C -0.962 175.338 176.300 -0.000 0.000 1.315 215 D CA -0.493 53.507 54.000 0.000 0.000 0.917 215 D CB -0.147 40.653 40.800 -0.000 0.000 1.435 215 D HN 0.243 nan 8.370 nan 0.000 0.517 216 E N -0.068 120.131 120.200 -0.000 0.000 2.322 216 E HA 0.118 4.472 4.350 0.006 0.000 0.195 216 E C -0.340 176.260 176.600 -0.000 0.000 1.198 216 E CA 0.397 56.797 56.400 -0.000 0.000 1.132 216 E CB -0.164 29.535 29.700 -0.001 0.000 1.213 216 E HN 0.353 nan 8.360 nan 0.000 0.450 217 D N -1.095 119.305 120.400 0.000 0.000 2.430 217 D HA 0.073 4.717 4.640 0.006 0.000 0.289 217 D C 0.885 177.185 176.300 0.001 0.000 1.215 217 D CA 0.531 54.532 54.000 0.000 0.000 0.838 217 D CB 1.093 41.893 40.800 0.001 0.000 1.290 217 D HN 0.261 nan 8.370 nan 0.000 0.521 218 G N 2.700 111.500 108.800 0.000 0.000 2.149 218 G HA2 -0.225 3.739 3.960 0.006 0.000 0.235 218 G HA3 -0.225 3.739 3.960 0.006 0.000 0.235 218 G C -0.227 174.673 174.900 0.000 0.000 1.018 218 G CA 0.364 45.464 45.100 0.000 0.000 0.728 218 G HN 0.284 nan 8.290 nan 0.000 0.508 219 D N 0.376 120.776 120.400 0.001 0.000 2.225 219 D HA 0.648 5.291 4.640 0.006 0.000 0.248 219 D C 0.870 177.170 176.300 0.000 0.000 1.096 219 D CA -0.479 53.522 54.000 0.001 0.000 0.863 219 D CB 0.459 41.260 40.800 0.001 0.000 1.156 219 D HN 0.723 nan 8.370 nan 0.000 0.450 220 R N 2.364 122.864 120.500 0.000 0.000 2.855 220 R HA 0.557 4.901 4.340 0.006 0.000 0.266 220 R C -0.733 175.567 176.300 -0.000 0.000 1.034 220 R CA -1.088 55.011 56.100 -0.000 0.000 0.944 220 R CB 0.676 30.976 30.300 -0.001 0.000 1.219 220 R HN 0.274 nan 8.270 nan 0.000 0.474 221 L N 2.462 123.684 121.223 -0.001 0.000 2.313 221 L HA 0.199 4.543 4.340 0.006 0.000 0.282 221 L C 0.619 177.488 176.870 -0.002 0.000 1.092 221 L CA -0.461 54.378 54.840 -0.001 0.000 0.831 221 L CB 1.281 43.338 42.059 -0.004 0.000 1.159 221 L HN 0.852 nan 8.230 nan 0.000 0.442 222 S N 2.279 117.980 115.700 0.002 0.000 2.593 222 S HA 0.050 4.524 4.470 0.006 0.000 0.269 222 S C 0.915 175.515 174.600 -0.000 0.000 1.334 222 S CA -0.608 57.593 58.200 0.002 0.000 1.015 222 S CB 1.382 64.587 63.200 0.008 0.000 0.912 222 S HN 0.618 nan 8.310 nan 0.000 0.541 223 Q N 1.048 120.847 119.800 -0.003 0.000 2.047 223 Q HA -0.242 4.102 4.340 0.006 0.000 0.211 223 Q C 2.072 178.071 176.000 -0.002 0.000 1.005 223 Q CA 2.458 58.256 55.803 -0.009 0.000 0.866 223 Q CB -0.763 27.969 28.738 -0.009 0.000 0.938 223 Q HN 1.009 nan 8.270 nan 0.000 0.414 224 E N 0.113 120.323 120.200 0.016 0.000 2.097 224 E HA -0.221 4.133 4.350 0.006 0.000 0.196 224 E C 1.740 178.363 176.600 0.039 0.000 1.000 224 E CA 1.387 57.810 56.400 0.039 0.000 0.804 224 E CB 0.069 29.795 29.700 0.044 0.000 0.740 224 E HN 0.438 nan 8.360 nan 0.000 0.454 225 E N 0.184 120.399 120.200 0.025 0.000 2.106 225 E HA -0.154 4.200 4.350 0.006 0.000 0.192 225 E C 2.308 178.914 176.600 0.010 0.000 0.984 225 E CA 0.700 57.114 56.400 0.023 0.000 0.806 225 E CB -0.013 29.697 29.700 0.017 0.000 0.750 225 E HN 0.272 nan 8.360 nan 0.000 0.458 226 L N 0.671 121.892 121.223 -0.004 0.000 1.989 226 L HA -0.201 4.142 4.340 0.006 0.000 0.211 226 L C 2.640 179.492 176.870 -0.031 0.000 1.071 226 L CA 1.293 56.121 54.840 -0.020 0.000 0.749 226 L CB -0.560 41.482 42.059 -0.029 0.000 0.890 226 L HN 0.171 nan 8.230 nan 0.000 0.431 227 V N -3.417 116.471 119.914 -0.044 0.000 2.548 227 V HA -0.067 4.057 4.120 0.006 0.000 0.249 227 V C 2.485 178.566 176.094 -0.021 0.000 1.055 227 V CA 1.276 63.523 62.300 -0.088 0.000 1.065 227 V CB -1.136 30.555 31.823 -0.221 0.000 0.681 227 V HN 0.312 nan 8.190 nan 0.000 0.462 228 A N 0.427 123.272 122.820 0.041 0.000 1.902 228 A HA -0.170 4.154 4.320 0.006 0.000 0.217 228 A C 2.211 179.822 177.584 0.046 0.000 1.181 228 A CA 2.486 54.571 52.037 0.080 0.000 0.623 228 A CB -0.612 18.436 19.000 0.080 0.000 0.818 228 A HN 0.533 nan 8.150 nan 0.000 0.443 229 M N 0.218 119.828 119.600 0.017 0.000 2.117 229 M HA -0.014 4.470 4.480 0.006 0.000 0.262 229 M C 2.183 178.466 176.300 -0.028 0.000 1.065 229 M CA 1.619 56.914 55.300 -0.009 0.000 1.114 229 M CB -0.747 31.838 32.600 -0.026 0.000 1.361 229 M HN 0.387 nan 8.290 nan 0.000 0.408 230 A N -0.138 122.668 122.820 -0.023 0.000 1.883 230 A HA -0.194 4.129 4.320 0.006 0.000 0.217 230 A C 2.186 179.792 177.584 0.036 0.000 1.186 230 A CA 2.048 54.079 52.037 -0.011 0.000 0.624 230 A CB -0.692 18.302 19.000 -0.010 0.000 0.822 230 A HN 0.545 nan 8.150 nan 0.000 0.444 231 M N -1.196 118.435 119.600 0.051 0.000 2.159 231 M HA -0.105 4.379 4.480 0.006 0.000 0.263 231 M C 2.186 178.523 176.300 0.062 0.000 1.063 231 M CA 1.272 56.620 55.300 0.080 0.000 1.110 231 M CB -1.194 31.478 32.600 0.119 0.000 1.374 231 M HN 0.483 nan 8.290 nan 0.000 0.411 232 L N 0.608 121.857 121.223 0.044 0.000 2.005 232 L HA -0.127 4.217 4.340 0.006 0.000 0.207 232 L C 2.162 179.044 176.870 0.020 0.000 1.072 232 L CA 1.677 56.539 54.840 0.037 0.000 0.744 232 L CB -0.924 41.158 42.059 0.037 0.000 0.895 232 L HN 0.222 nan 8.230 nan 0.000 0.433 233 L N -1.048 120.161 121.223 -0.024 0.000 2.129 233 L HA -0.237 4.106 4.340 0.006 0.000 0.212 233 L C 2.451 179.327 176.870 0.011 0.000 1.087 233 L CA 1.115 55.915 54.840 -0.065 0.000 0.757 233 L CB -0.652 41.298 42.059 -0.182 0.000 0.896 233 L HN 0.393 nan 8.230 nan 0.000 0.434 234 L N -0.212 121.042 121.223 0.053 0.000 2.068 234 L HA -0.107 4.237 4.340 0.006 0.000 0.204 234 L C 2.269 179.198 176.870 0.099 0.000 1.076 234 L CA 1.591 56.487 54.840 0.094 0.000 0.753 234 L CB -0.186 41.946 42.059 0.122 0.000 0.910 234 L HN 0.052 nan 8.230 nan 0.000 0.439 235 I N -0.153 120.463 120.570 0.076 0.000 2.202 235 I HA -0.225 3.949 4.170 0.006 0.000 0.242 235 I C 2.571 178.735 176.117 0.079 0.000 1.091 235 I CA 1.242 62.586 61.300 0.073 0.000 1.368 235 I CB -0.784 37.246 38.000 0.051 0.000 1.058 235 I HN 0.309 nan 8.210 nan 0.000 0.410 236 A N 0.629 123.492 122.820 0.073 0.000 2.015 236 A HA -0.008 4.315 4.320 0.006 0.000 0.219 236 A C 2.296 179.939 177.584 0.097 0.000 1.163 236 A CA 1.685 53.770 52.037 0.080 0.000 0.646 236 A CB -1.037 18.008 19.000 0.074 0.000 0.806 236 A HN 0.486 nan 8.150 nan 0.000 0.448 237 G N -2.771 106.092 108.800 0.104 0.000 2.887 237 G HA2 0.109 4.072 3.960 0.006 0.000 0.211 237 G HA3 0.109 4.072 3.960 0.006 0.000 0.211 237 G C 1.206 176.209 174.900 0.171 0.000 1.152 237 G CA 0.668 45.843 45.100 0.125 0.000 0.769 237 G HN 0.696 nan 8.290 nan 0.000 0.541 238 H N 0.254 119.346 119.070 0.036 0.000 2.279 238 H HA 0.097 4.657 4.556 0.007 0.000 0.327 238 H C 2.305 177.625 175.328 -0.013 0.000 1.122 238 H CA 0.927 56.980 56.048 0.009 0.000 1.618 238 H CB 0.177 29.931 29.762 -0.013 0.000 1.495 238 H HN 0.300 nan 8.280 nan 0.000 0.592 239 E N 0.120 120.206 120.200 -0.190 0.000 2.108 239 E HA -0.237 4.117 4.350 0.006 0.000 0.203 239 E C 2.153 178.695 176.600 -0.096 0.000 1.022 239 E CA 2.746 58.996 56.400 -0.250 0.000 0.823 239 E CB -0.151 29.464 29.700 -0.142 0.000 0.744 239 E HN 0.628 nan 8.360 nan 0.000 0.456 240 T N -2.296 112.259 114.554 0.003 0.000 2.708 240 T HA -0.143 4.210 4.350 0.006 0.000 0.266 240 T C 2.004 176.747 174.700 0.072 0.000 1.037 240 T CA 1.931 64.066 62.100 0.060 0.000 1.146 240 T CB -0.920 68.012 68.868 0.107 0.000 0.865 240 T HN 0.137 nan 8.240 nan 0.000 0.435 241 T N 1.751 116.354 114.554 0.081 0.000 2.857 241 T HA 0.022 4.375 4.350 0.006 0.000 0.266 241 T C 2.146 176.889 174.700 0.071 0.000 1.048 241 T CA 0.985 63.146 62.100 0.101 0.000 1.139 241 T CB -0.655 68.288 68.868 0.124 0.000 0.874 241 T HN 0.249 nan 8.240 nan 0.000 0.455 242 V N 2.965 122.885 119.914 0.011 0.000 2.231 242 V HA -0.256 3.868 4.120 0.006 0.000 0.248 242 V C 2.450 178.584 176.094 0.067 0.000 1.054 242 V CA 1.818 64.124 62.300 0.009 0.000 1.015 242 V CB -0.612 31.116 31.823 -0.158 0.000 0.638 242 V HN 0.483 nan 8.190 nan 0.000 0.444 243 N N -0.159 118.572 118.700 0.051 0.000 2.244 243 N HA -0.109 4.635 4.740 0.006 0.000 0.183 243 N C 1.662 177.223 175.510 0.085 0.000 1.016 243 N CA 1.154 54.254 53.050 0.084 0.000 0.866 243 N CB -0.496 38.044 38.487 0.088 0.000 0.980 243 N HN 0.421 nan 8.380 nan 0.000 0.430 244 L N 1.552 122.824 121.223 0.081 0.000 1.990 244 L HA -0.102 4.242 4.340 0.006 0.000 0.213 244 L C 1.923 178.835 176.870 0.070 0.000 1.072 244 L CA 1.449 56.336 54.840 0.079 0.000 0.755 244 L CB -0.733 41.386 42.059 0.101 0.000 0.889 244 L HN 0.056 nan 8.230 nan 0.000 0.432 245 I N -0.351 120.274 120.570 0.092 0.000 2.127 245 I HA -0.239 3.934 4.170 0.006 0.000 0.241 245 I C 2.584 178.749 176.117 0.080 0.000 1.075 245 I CA 1.452 62.817 61.300 0.108 0.000 1.334 245 I CB -1.392 36.693 38.000 0.141 0.000 1.040 245 I HN 0.436 nan 8.210 nan 0.000 0.405 246 G N 1.130 109.984 108.800 0.090 0.000 2.491 246 G HA2 -0.290 3.673 3.960 0.006 0.000 0.218 246 G HA3 -0.290 3.673 3.960 0.006 0.000 0.218 246 G C 1.451 176.373 174.900 0.037 0.000 1.180 246 G CA 1.192 46.336 45.100 0.073 0.000 0.774 246 G HN 0.309 nan 8.290 nan 0.000 0.562 247 N N 1.067 119.791 118.700 0.040 0.000 2.142 247 N HA -0.060 4.683 4.740 0.006 0.000 0.186 247 N C 2.338 177.756 175.510 -0.153 0.000 1.023 247 N CA 1.322 54.391 53.050 0.031 0.000 0.852 247 N CB -0.860 37.682 38.487 0.091 0.000 0.998 247 N HN 0.326 nan 8.380 nan 0.000 0.424 248 G N 0.799 109.392 108.800 -0.345 0.000 2.402 248 G HA2 -0.152 3.812 3.960 0.006 0.000 0.216 248 G HA3 -0.152 3.812 3.960 0.006 0.000 0.216 248 G C 1.731 176.166 174.900 -0.775 0.000 1.162 248 G CA 0.664 45.095 45.100 -1.114 0.000 0.777 248 G HN 0.170 nan 8.290 nan 0.000 0.539 249 V N 0.833 120.619 119.914 -0.214 0.000 2.261 249 V HA -0.150 3.973 4.120 0.006 0.000 0.246 249 V C 2.693 178.824 176.094 0.062 0.000 1.047 249 V CA 1.697 64.045 62.300 0.080 0.000 1.015 249 V CB -0.535 31.360 31.823 0.120 0.000 0.642 249 V HN 0.351 nan 8.190 nan 0.000 0.446 250 L N 0.917 122.146 121.223 0.010 0.000 2.079 250 L HA -0.147 4.197 4.340 0.006 0.000 0.210 250 L C 2.406 179.325 176.870 0.082 0.000 1.081 250 L CA 2.410 57.285 54.840 0.059 0.000 0.752 250 L CB -1.074 41.033 42.059 0.080 0.000 0.896 250 L HN 0.250 nan 8.230 nan 0.000 0.433 251 A N -0.781 122.027 122.820 -0.021 0.000 1.902 251 A HA -0.155 4.168 4.320 0.006 0.000 0.217 251 A C 2.271 179.901 177.584 0.077 0.000 1.181 251 A CA 1.946 53.999 52.037 0.027 0.000 0.623 251 A CB -0.784 18.141 19.000 -0.126 0.000 0.818 251 A HN 0.499 nan 8.150 nan 0.000 0.443 252 L N -0.732 120.480 121.223 -0.018 0.000 2.109 252 L HA -0.098 4.245 4.340 0.006 0.000 0.207 252 L C 2.448 179.378 176.870 0.099 0.000 1.086 252 L CA 0.728 55.565 54.840 -0.005 0.000 0.760 252 L CB -0.416 41.473 42.059 -0.284 0.000 0.910 252 L HN 0.353 nan 8.230 nan 0.000 0.437 253 L N -0.512 120.815 121.223 0.173 0.000 2.131 253 L HA -0.170 4.174 4.340 0.006 0.000 0.210 253 L C 2.561 179.496 176.870 0.108 0.000 1.092 253 L CA 1.763 56.704 54.840 0.169 0.000 0.759 253 L CB -0.835 41.313 42.059 0.148 0.000 0.903 253 L HN 0.444 nan 8.230 nan 0.000 0.435 254 T N -5.198 109.433 114.554 0.128 0.000 3.081 254 T HA -0.025 4.329 4.350 0.006 0.000 0.255 254 T C 0.386 175.009 174.700 -0.128 0.000 1.113 254 T CA 0.202 62.325 62.100 0.038 0.000 1.082 254 T CB -0.223 68.697 68.868 0.086 0.000 0.939 254 T HN 0.252 nan 8.240 nan 0.000 0.506 255 H N 1.228 120.295 119.070 -0.006 0.000 2.418 255 H HA 0.384 4.942 4.556 0.002 0.000 0.238 255 H C -2.186 173.123 175.328 -0.032 0.000 1.403 255 H CA -2.143 53.885 56.048 -0.034 0.000 1.419 255 H CB 1.186 30.897 29.762 -0.086 0.000 1.463 255 H HN 0.115 nan 8.280 nan 0.000 0.515 256 P HA -0.210 nan 4.420 nan 0.000 0.216 256 P C 1.363 178.674 177.300 0.018 0.000 1.153 256 P CA 1.418 64.536 63.100 0.030 0.000 0.858 256 P CB 0.394 32.103 31.700 0.015 0.000 0.789 257 D N -0.467 119.943 120.400 0.016 0.000 2.172 257 D HA -0.240 4.403 4.640 0.006 0.000 0.196 257 D C 1.570 177.866 176.300 -0.008 0.000 0.999 257 D CA 1.424 55.426 54.000 0.005 0.000 0.856 257 D CB -0.876 39.929 40.800 0.008 0.000 0.934 257 D HN 0.249 nan 8.370 nan 0.000 0.453 258 Q N -0.061 119.739 119.800 -0.001 0.000 2.250 258 Q HA 0.061 4.404 4.340 0.006 0.000 0.200 258 Q C 2.353 178.314 176.000 -0.065 0.000 0.941 258 Q CA 0.163 55.940 55.803 -0.044 0.000 0.872 258 Q CB -0.058 28.640 28.738 -0.066 0.000 0.965 258 Q HN 0.401 nan 8.270 nan 0.000 0.480 259 R N 1.003 121.470 120.500 -0.055 0.000 2.096 259 R HA -0.092 4.251 4.340 0.006 0.000 0.235 259 R C 1.662 177.922 176.300 -0.065 0.000 1.127 259 R CA 1.015 57.051 56.100 -0.107 0.000 0.968 259 R CB 0.288 30.552 30.300 -0.060 0.000 0.861 259 R HN -0.066 nan 8.270 nan 0.000 0.440 260 K N 0.425 120.808 120.400 -0.029 0.000 2.296 260 K HA -0.046 4.278 4.320 0.006 0.000 0.200 260 K C 2.005 178.589 176.600 -0.026 0.000 1.048 260 K CA 0.582 56.860 56.287 -0.016 0.000 0.966 260 K CB -0.073 32.424 32.500 -0.004 0.000 0.754 260 K HN 0.255 nan 8.250 nan 0.000 0.466 261 L N 0.471 121.670 121.223 -0.040 0.000 2.056 261 L HA -0.155 4.188 4.340 0.006 0.000 0.207 261 L C 2.279 179.118 176.870 -0.051 0.000 1.078 261 L CA 0.669 55.481 54.840 -0.046 0.000 0.749 261 L CB -0.328 41.695 42.059 -0.059 0.000 0.901 261 L HN 0.062 nan 8.230 nan 0.000 0.433 262 L N -0.454 120.728 121.223 -0.069 0.000 2.109 262 L HA -0.050 4.294 4.340 0.006 0.000 0.207 262 L C 2.532 179.379 176.870 -0.038 0.000 1.086 262 L CA 1.808 56.606 54.840 -0.069 0.000 0.760 262 L CB -0.651 41.341 42.059 -0.112 0.000 0.910 262 L HN 0.128 nan 8.230 nan 0.000 0.437 263 A N -0.467 122.335 122.820 -0.029 0.000 1.908 263 A HA -0.241 4.082 4.320 0.006 0.000 0.218 263 A C 2.174 179.761 177.584 0.005 0.000 1.181 263 A CA 2.065 54.105 52.037 0.004 0.000 0.627 263 A CB -0.597 18.413 19.000 0.016 0.000 0.818 263 A HN 0.634 nan 8.150 nan 0.000 0.445 264 E N -1.107 119.090 120.200 -0.005 0.000 2.112 264 E HA -0.075 4.279 4.350 0.006 0.000 0.190 264 E C 0.021 176.617 176.600 -0.005 0.000 0.979 264 E CA 0.885 57.283 56.400 -0.004 0.000 0.814 264 E CB 0.137 29.832 29.700 -0.008 0.000 0.762 264 E HN 0.460 nan 8.360 nan 0.000 0.460 265 D N -0.281 120.112 120.400 -0.013 0.000 2.456 265 D HA 0.127 4.771 4.640 0.006 0.000 0.287 265 D C -2.252 174.040 176.300 -0.013 0.000 1.186 265 D CA -2.403 51.590 54.000 -0.013 0.000 0.916 265 D CB 0.923 41.711 40.800 -0.020 0.000 1.029 265 D HN -0.182 nan 8.370 nan 0.000 0.498 266 P HA -0.064 nan 4.420 nan 0.000 0.236 266 P C 1.122 178.426 177.300 0.007 0.000 1.172 266 P CA 0.588 63.693 63.100 0.008 0.000 0.759 266 P CB 0.123 31.837 31.700 0.024 0.000 0.843 267 S N -1.421 114.279 115.700 0.000 0.000 2.527 267 S HA 0.026 4.500 4.470 0.006 0.000 0.222 267 S C 1.591 176.184 174.600 -0.011 0.000 0.985 267 S CA 0.263 58.464 58.200 0.001 0.000 0.921 267 S CB -1.194 62.006 63.200 0.001 0.000 0.772 267 S HN 0.117 nan 8.310 nan 0.000 0.529 268 L N 0.618 121.825 121.223 -0.027 0.000 2.551 268 L HA 0.168 4.511 4.340 0.006 0.000 0.228 268 L C 2.171 179.001 176.870 -0.067 0.000 1.153 268 L CA 0.167 54.976 54.840 -0.052 0.000 0.851 268 L CB -0.467 41.550 42.059 -0.069 0.000 0.959 268 L HN 0.321 nan 8.230 nan 0.000 0.451 269 I N -0.875 119.674 120.570 -0.035 0.000 2.264 269 I HA -0.309 3.865 4.170 0.006 0.000 0.248 269 I C 2.570 178.671 176.117 -0.026 0.000 1.111 269 I CA 1.441 62.728 61.300 -0.021 0.000 1.382 269 I CB -0.108 37.913 38.000 0.035 0.000 1.060 269 I HN 0.098 nan 8.210 nan 0.000 0.418 270 S N -0.984 114.712 115.700 -0.008 0.000 2.383 270 S HA -0.182 4.292 4.470 0.006 0.000 0.227 270 S C 2.244 176.830 174.600 -0.022 0.000 1.026 270 S CA 1.597 59.802 58.200 0.008 0.000 0.981 270 S CB -0.493 62.721 63.200 0.024 0.000 0.818 270 S HN 0.629 nan 8.310 nan 0.000 0.472 271 S N 0.383 116.049 115.700 -0.056 0.000 2.406 271 S HA 0.077 4.551 4.470 0.006 0.000 0.228 271 S C 1.986 176.467 174.600 -0.198 0.000 1.020 271 S CA 1.115 59.262 58.200 -0.088 0.000 0.965 271 S CB -0.449 62.702 63.200 -0.083 0.000 0.798 271 S HN 0.591 nan 8.310 nan 0.000 0.488 272 A N 0.885 123.537 122.820 -0.280 0.000 1.855 272 A HA -0.008 4.316 4.320 0.006 0.000 0.215 272 A C 2.272 179.354 177.584 -0.837 0.000 1.191 272 A CA 1.750 53.421 52.037 -0.610 0.000 0.613 272 A CB -1.104 17.586 19.000 -0.517 0.000 0.829 272 A HN 0.420 nan 8.150 nan 0.000 0.442 273 V N 0.469 120.180 119.914 -0.340 0.000 2.392 273 V HA -0.236 3.888 4.120 0.006 0.000 0.249 273 V C 2.530 178.540 176.094 -0.139 0.000 1.059 273 V CA 2.100 64.362 62.300 -0.064 0.000 1.051 273 V CB -0.768 31.113 31.823 0.096 0.000 0.658 273 V HN 0.512 nan 8.190 nan 0.000 0.455 274 E N -0.203 119.909 120.200 -0.147 0.000 2.118 274 E HA -0.211 4.143 4.350 0.006 0.000 0.195 274 E C 2.219 178.711 176.600 -0.179 0.000 0.992 274 E CA 1.036 57.369 56.400 -0.111 0.000 0.804 274 E CB -0.108 29.611 29.700 0.032 0.000 0.741 274 E HN 0.591 nan 8.360 nan 0.000 0.458 275 E N -0.727 119.329 120.200 -0.239 0.000 2.447 275 E HA 0.022 4.375 4.350 0.006 0.000 0.195 275 E C 1.744 178.302 176.600 -0.070 0.000 1.028 275 E CA -0.137 56.164 56.400 -0.164 0.000 0.876 275 E CB 0.094 29.654 29.700 -0.234 0.000 0.885 275 E HN 0.285 nan 8.360 nan 0.000 0.500 276 F N 0.274 120.177 119.950 -0.077 0.000 2.163 276 F HA -0.093 4.436 4.527 0.003 0.000 0.297 276 F C 2.248 177.999 175.800 -0.083 0.000 1.094 276 F CA 0.301 58.284 58.000 -0.028 0.000 1.290 276 F CB 0.020 38.999 39.000 -0.035 0.000 1.017 276 F HN -0.024 nan 8.300 nan 0.000 0.483 277 L N -0.172 120.962 121.223 -0.149 0.000 2.131 277 L HA -0.189 4.155 4.340 0.006 0.000 0.210 277 L C 2.560 179.235 176.870 -0.325 0.000 1.092 277 L CA 1.107 55.621 54.840 -0.543 0.000 0.759 277 L CB -0.468 40.667 42.059 -1.539 0.000 0.903 277 L HN 0.082 nan 8.230 nan 0.000 0.435 278 R N -0.392 120.061 120.500 -0.079 0.000 2.057 278 R HA -0.141 4.203 4.340 0.006 0.000 0.224 278 R C 2.410 178.881 176.300 0.284 0.000 1.136 278 R CA 1.300 57.587 56.100 0.311 0.000 0.968 278 R CB -0.339 30.210 30.300 0.415 0.000 0.863 278 R HN 0.189 nan 8.270 nan 0.000 0.433 279 F N 1.094 121.106 119.950 0.103 0.000 2.171 279 F HA -0.130 4.396 4.527 -0.002 0.000 0.300 279 F C 0.245 176.095 175.800 0.084 0.000 1.090 279 F CA 1.413 59.456 58.000 0.070 0.000 1.293 279 F CB 0.201 39.222 39.000 0.035 0.000 1.013 279 F HN -0.010 nan 8.300 nan 0.000 0.486 280 D N 0.031 120.526 120.400 0.159 0.000 2.621 280 D HA 0.158 4.802 4.640 0.006 0.000 0.274 280 D C -0.957 175.429 176.300 0.144 0.000 1.215 280 D CA -0.119 53.951 54.000 0.117 0.000 0.810 280 D CB 0.544 41.427 40.800 0.138 0.000 1.248 280 D HN -0.132 nan 8.370 nan 0.000 0.517 281 S N 2.966 118.748 115.700 0.138 0.000 2.670 281 S HA 0.036 4.509 4.470 0.006 0.000 0.308 281 S C -1.214 173.448 174.600 0.104 0.000 1.232 281 S CA -0.704 57.560 58.200 0.107 0.000 1.126 281 S CB 0.944 64.226 63.200 0.136 0.000 0.897 281 S HN 0.426 nan 8.310 nan 0.000 0.508 282 P HA -0.080 nan 4.420 nan 0.000 0.215 282 P C 0.207 177.574 177.300 0.112 0.000 1.157 282 P CA 0.879 64.039 63.100 0.100 0.000 0.868 282 P CB -0.019 31.728 31.700 0.079 0.000 0.788 283 V N 1.999 121.976 119.914 0.106 0.000 2.299 283 V HA 0.064 4.188 4.120 0.006 0.000 0.255 283 V C 1.918 178.082 176.094 0.118 0.000 1.100 283 V CA 0.461 62.832 62.300 0.117 0.000 0.938 283 V CB -0.047 31.847 31.823 0.119 0.000 1.139 283 V HN 0.196 nan 8.190 nan 0.000 0.490 284 S N 3.207 118.986 115.700 0.133 0.000 2.395 284 S HA 0.042 4.516 4.470 0.006 0.000 0.225 284 S C 0.728 175.381 174.600 0.088 0.000 1.027 284 S CA 0.233 58.498 58.200 0.109 0.000 0.965 284 S CB 0.112 63.419 63.200 0.178 0.000 0.812 284 S HN 0.644 nan 8.310 nan 0.000 0.482 285 Q N 0.997 120.877 119.800 0.133 0.000 2.340 285 Q HA 0.734 5.077 4.340 0.006 0.000 0.268 285 Q C -0.807 175.238 176.000 0.075 0.000 1.031 285 Q CA -0.471 55.392 55.803 0.099 0.000 0.804 285 Q CB 1.794 30.618 28.738 0.142 0.000 1.286 285 Q HN 0.390 nan 8.270 nan 0.000 0.448 286 A N 3.870 126.715 122.820 0.041 0.000 2.425 286 A HA 0.515 4.839 4.320 0.006 0.000 0.249 286 A C -2.056 175.520 177.584 -0.014 0.000 1.084 286 A CA -0.991 51.078 52.037 0.052 0.000 0.781 286 A CB -0.434 18.594 19.000 0.047 0.000 1.019 286 A HN 0.404 nan 8.150 nan 0.000 0.490 287 P HA 0.008 nan 4.420 nan 0.000 0.264 287 P C -0.247 176.979 177.300 -0.123 0.000 1.179 287 P CA 0.412 63.487 63.100 -0.041 0.000 0.763 287 P CB 0.148 31.836 31.700 -0.020 0.000 0.806 288 I N 3.188 123.663 120.570 -0.159 0.000 2.752 288 I HA -0.091 4.083 4.170 0.006 0.000 0.289 288 I C 1.436 177.224 176.117 -0.549 0.000 1.197 288 I CA 0.890 61.996 61.300 -0.323 0.000 1.432 288 I CB 0.083 37.900 38.000 -0.306 0.000 1.359 288 I HN 0.270 nan 8.210 nan 0.000 0.571 289 R N 5.224 125.355 120.500 -0.615 0.000 2.856 289 R HA 0.733 5.077 4.340 0.006 0.000 0.258 289 R C -1.438 174.352 176.300 -0.851 0.000 1.066 289 R CA -0.706 55.023 56.100 -0.617 0.000 1.045 289 R CB 1.541 31.653 30.300 -0.314 0.000 1.178 289 R HN 0.307 nan 8.270 nan 0.000 0.499 290 F N -0.675 119.253 119.950 -0.037 0.000 2.569 290 F HA 0.255 4.786 4.527 0.007 0.000 0.312 290 F C 0.094 175.813 175.800 -0.136 0.000 1.109 290 F CA -1.039 56.939 58.000 -0.036 0.000 0.919 290 F CB 2.125 41.147 39.000 0.037 0.000 1.211 290 F HN 0.384 nan 8.300 nan 0.000 0.446 291 T N -0.677 113.910 114.554 0.054 0.000 2.737 291 T HA 0.493 4.847 4.350 0.006 0.000 0.296 291 T C 0.813 175.460 174.700 -0.088 0.000 0.922 291 T CA -0.296 61.772 62.100 -0.055 0.000 1.079 291 T CB 1.475 70.296 68.868 -0.078 0.000 0.892 291 T HN 0.786 nan 8.240 nan 0.000 0.514 292 A N 3.179 125.876 122.820 -0.204 0.000 2.067 292 A HA 0.301 4.625 4.320 0.006 0.000 0.217 292 A C 0.764 178.341 177.584 -0.011 0.000 1.156 292 A CA 0.475 52.423 52.037 -0.148 0.000 0.683 292 A CB -0.400 18.461 19.000 -0.233 0.000 0.808 292 A HN 1.010 nan 8.150 nan 0.000 0.455 293 E N -1.453 118.721 120.200 -0.044 0.000 2.388 293 E HA 0.304 4.658 4.350 0.006 0.000 0.281 293 E C -1.933 174.629 176.600 -0.063 0.000 1.046 293 E CA -1.033 55.345 56.400 -0.037 0.000 0.825 293 E CB -0.171 29.514 29.700 -0.026 0.000 1.243 293 E HN -0.086 nan 8.360 nan 0.000 0.438 294 D N 1.667 122.026 120.400 -0.068 0.000 3.465 294 D HA 0.047 4.691 4.640 0.006 0.000 0.252 294 D C 0.317 176.554 176.300 -0.105 0.000 1.399 294 D CA 0.706 54.649 54.000 -0.095 0.000 0.946 294 D CB -0.171 40.581 40.800 -0.080 0.000 1.183 294 D HN 0.461 nan 8.370 nan 0.000 0.622 295 V N 0.751 120.593 119.914 -0.120 0.000 2.863 295 V HA 0.714 4.838 4.120 0.006 0.000 0.307 295 V C 0.492 176.497 176.094 -0.149 0.000 1.061 295 V CA -0.517 61.712 62.300 -0.117 0.000 1.024 295 V CB 2.097 33.909 31.823 -0.019 0.000 1.049 295 V HN 0.328 nan 8.190 nan 0.000 0.471 296 T N 3.078 117.486 114.554 -0.244 0.000 2.949 296 T HA 0.602 4.955 4.350 0.006 0.000 0.300 296 T C -1.401 173.067 174.700 -0.387 0.000 0.988 296 T CA -0.001 61.967 62.100 -0.221 0.000 0.993 296 T CB 0.630 69.392 68.868 -0.176 0.000 0.984 296 T HN 0.672 nan 8.240 nan 0.000 0.442 297 Y N 0.864 121.126 120.300 -0.063 0.000 2.391 297 Y HA 0.386 4.940 4.550 0.006 0.000 0.341 297 Y C 0.999 176.891 175.900 -0.012 0.000 0.965 297 Y CA -0.863 57.213 58.100 -0.039 0.000 1.067 297 Y CB 2.018 40.449 38.460 -0.049 0.000 1.199 297 Y HN 0.718 nan 8.280 nan 0.000 0.450 298 S N 2.686 118.470 115.700 0.139 0.000 3.410 298 S HA -0.227 4.247 4.470 0.006 0.000 0.369 298 S C 1.279 175.920 174.600 0.068 0.000 0.961 298 S CA 1.353 59.609 58.200 0.094 0.000 1.248 298 S CB -1.407 61.858 63.200 0.109 0.000 0.914 298 S HN 1.505 nan 8.310 nan 0.000 0.497 299 G N -1.788 107.032 108.800 0.034 0.000 2.347 299 G HA2 -0.328 3.636 3.960 0.006 0.000 0.247 299 G HA3 -0.328 3.636 3.960 0.006 0.000 0.247 299 G C 0.174 175.091 174.900 0.029 0.000 1.037 299 G CA -0.003 45.111 45.100 0.025 0.000 0.622 299 G HN 1.225 nan 8.290 nan 0.000 0.521 300 V N 2.488 122.435 119.914 0.055 0.000 2.432 300 V HA 0.506 4.630 4.120 0.006 0.000 0.271 300 V C 0.604 176.689 176.094 -0.014 0.000 1.046 300 V CA 0.376 62.713 62.300 0.062 0.000 0.945 300 V CB 1.353 33.262 31.823 0.144 0.000 0.992 300 V HN 0.295 nan 8.190 nan 0.000 0.471 301 T N 6.950 121.468 114.554 -0.059 0.000 2.727 301 T HA 0.501 4.854 4.350 0.006 0.000 0.298 301 T C 0.096 174.613 174.700 -0.304 0.000 0.942 301 T CA -0.051 61.966 62.100 -0.138 0.000 0.997 301 T CB 0.125 68.935 68.868 -0.096 0.000 0.917 301 T HN 0.391 nan 8.240 nan 0.000 0.487 302 I N 7.178 127.479 120.570 -0.449 0.000 2.396 302 I HA 0.222 4.396 4.170 0.006 0.000 0.289 302 I C -1.734 174.115 176.117 -0.447 0.000 1.056 302 I CA -2.331 58.478 61.300 -0.818 0.000 1.365 302 I CB 0.714 38.158 38.000 -0.927 0.000 1.407 302 I HN 0.300 nan 8.210 nan 0.000 0.509 303 P HA 0.080 nan 4.420 nan 0.000 0.272 303 P C -0.415 176.813 177.300 -0.120 0.000 1.223 303 P CA -0.367 62.641 63.100 -0.153 0.000 0.784 303 P CB 0.678 32.344 31.700 -0.056 0.000 0.923 304 A N 1.625 124.408 122.820 -0.061 0.000 2.483 304 A HA 0.416 4.740 4.320 0.006 0.000 0.238 304 A C 1.448 179.045 177.584 0.022 0.000 1.070 304 A CA 0.753 52.776 52.037 -0.023 0.000 0.770 304 A CB -1.408 17.590 19.000 -0.004 0.000 1.008 304 A HN 0.904 nan 8.150 nan 0.000 0.497 305 G N 0.558 109.396 108.800 0.062 0.000 2.157 305 G HA2 -0.154 3.810 3.960 0.006 0.000 0.248 305 G HA3 -0.154 3.810 3.960 0.006 0.000 0.248 305 G C -0.041 174.956 174.900 0.161 0.000 0.979 305 G CA 0.339 45.507 45.100 0.113 0.000 0.650 305 G HN 0.795 nan 8.290 nan 0.000 0.529 306 E N -0.058 120.222 120.200 0.132 0.000 2.248 306 E HA 0.571 4.924 4.350 0.006 0.000 0.272 306 E C 0.661 177.384 176.600 0.205 0.000 1.008 306 E CA -0.598 55.914 56.400 0.187 0.000 0.856 306 E CB 0.863 30.623 29.700 0.100 0.000 1.120 306 E HN 0.375 nan 8.360 nan 0.000 0.397 307 M N 1.726 121.472 119.600 0.244 0.000 2.146 307 M HA 0.255 4.739 4.480 0.006 0.000 0.357 307 M C -0.392 175.944 176.300 0.061 0.000 1.261 307 M CA -0.588 54.756 55.300 0.074 0.000 1.106 307 M CB 1.054 33.698 32.600 0.074 0.000 1.612 307 M HN 0.054 nan 8.290 nan 0.000 0.470 308 V N 4.387 124.228 119.914 -0.122 0.000 2.667 308 V HA 0.589 4.713 4.120 0.006 0.000 0.308 308 V C -0.440 175.552 176.094 -0.169 0.000 1.048 308 V CA -0.752 61.495 62.300 -0.089 0.000 0.928 308 V CB 2.069 33.802 31.823 -0.150 0.000 1.004 308 V HN 0.918 nan 8.190 nan 0.000 0.444 309 M N 4.653 124.182 119.600 -0.119 0.000 2.327 309 M HA 0.592 5.075 4.480 0.006 0.000 0.298 309 M C -1.918 174.288 176.300 -0.157 0.000 1.065 309 M CA -0.552 54.665 55.300 -0.138 0.000 0.916 309 M CB 1.738 34.285 32.600 -0.089 0.000 1.630 309 M HN 0.524 nan 8.290 nan 0.000 0.442 310 L N 4.483 125.577 121.223 -0.214 0.000 2.262 310 L HA 0.482 4.826 4.340 0.006 0.000 0.288 310 L C 0.786 177.566 176.870 -0.149 0.000 1.035 310 L CA -0.789 53.891 54.840 -0.267 0.000 0.820 310 L CB 1.041 42.784 42.059 -0.527 0.000 1.204 310 L HN 0.941 nan 8.230 nan 0.000 0.424 311 G N 4.183 112.900 108.800 -0.138 0.000 2.778 311 G HA2 0.254 4.217 3.960 0.006 0.000 0.287 311 G HA3 0.254 4.217 3.960 0.006 0.000 0.287 311 G C 0.981 175.776 174.900 -0.175 0.000 0.747 311 G CA -0.365 44.639 45.100 -0.160 0.000 1.961 311 G HN 0.660 nan 8.290 nan 0.000 0.539 312 L N 1.800 122.968 121.223 -0.092 0.000 2.017 312 L HA -0.147 4.197 4.340 0.006 0.000 0.208 312 L C 3.185 180.021 176.870 -0.057 0.000 1.073 312 L CA 1.431 56.257 54.840 -0.023 0.000 0.745 312 L CB -0.495 41.607 42.059 0.072 0.000 0.894 312 L HN 0.505 nan 8.230 nan 0.000 0.432 313 A N 0.237 122.974 122.820 -0.139 0.000 1.940 313 A HA -0.169 4.155 4.320 0.006 0.000 0.219 313 A C 2.528 179.949 177.584 -0.272 0.000 1.176 313 A CA 1.909 53.848 52.037 -0.162 0.000 0.631 313 A CB -0.622 18.257 19.000 -0.202 0.000 0.814 313 A HN 0.426 nan 8.150 nan 0.000 0.446 314 A N -0.307 122.160 122.820 -0.588 0.000 1.872 314 A HA 0.268 4.592 4.320 0.006 0.000 0.214 314 A C 2.479 180.015 177.584 -0.079 0.000 1.187 314 A CA 1.772 53.561 52.037 -0.413 0.000 0.614 314 A CB -1.010 17.679 19.000 -0.519 0.000 0.826 314 A HN 1.077 nan 8.150 nan 0.000 0.442 315 A N -0.005 122.778 122.820 -0.062 0.000 2.070 315 A HA -0.145 4.179 4.320 0.006 0.000 0.220 315 A C 1.799 179.498 177.584 0.192 0.000 1.159 315 A CA 1.581 53.654 52.037 0.060 0.000 0.656 315 A CB -0.517 18.462 19.000 -0.036 0.000 0.800 315 A HN 0.535 nan 8.150 nan 0.000 0.453 316 N N -0.363 118.439 118.700 0.170 0.000 2.416 316 N HA -0.016 4.728 4.740 0.006 0.000 0.177 316 N C 1.035 176.797 175.510 0.420 0.000 1.036 316 N CA 0.547 53.799 53.050 0.336 0.000 0.901 316 N CB -0.110 38.568 38.487 0.319 0.000 0.976 316 N HN 0.453 nan 8.380 nan 0.000 0.444 317 R N 0.857 121.513 120.500 0.259 0.000 2.586 317 R HA 0.107 4.451 4.340 0.006 0.000 0.306 317 R C -0.432 175.979 176.300 0.186 0.000 1.079 317 R CA -0.209 56.013 56.100 0.204 0.000 1.083 317 R CB 0.153 30.540 30.300 0.145 0.000 1.306 317 R HN 0.058 nan 8.270 nan 0.000 0.567 318 D N 0.316 120.867 120.400 0.252 0.000 2.312 318 D HA 0.106 4.750 4.640 0.006 0.000 0.252 318 D C 0.816 177.211 176.300 0.158 0.000 1.150 318 D CA -0.027 54.099 54.000 0.210 0.000 0.870 318 D CB 1.588 42.550 40.800 0.269 0.000 1.153 318 D HN 0.175 nan 8.370 nan 0.000 0.457 319 A N 4.279 127.155 122.820 0.094 0.000 2.014 319 A HA -0.144 4.180 4.320 0.006 0.000 0.218 319 A C 1.665 179.263 177.584 0.023 0.000 1.163 319 A CA 0.929 52.989 52.037 0.039 0.000 0.652 319 A CB -0.010 19.010 19.000 0.034 0.000 0.808 319 A HN 0.575 nan 8.150 nan 0.000 0.449 320 D N -1.383 119.057 120.400 0.066 0.000 2.144 320 D HA -0.163 4.481 4.640 0.006 0.000 0.199 320 D C 1.559 177.887 176.300 0.045 0.000 0.984 320 D CA 1.340 55.379 54.000 0.065 0.000 0.834 320 D CB -0.261 40.604 40.800 0.110 0.000 0.955 320 D HN 0.791 nan 8.370 nan 0.000 0.465 321 W N 0.434 121.605 121.300 -0.214 0.000 2.526 321 W HA 0.151 4.817 4.660 0.010 0.000 0.294 321 W C 0.284 176.641 176.519 -0.270 0.000 1.181 321 W CA 0.187 57.271 57.345 -0.435 0.000 1.373 321 W CB 0.117 28.923 29.460 -1.090 0.000 1.112 321 W HN -0.249 nan 8.180 nan 0.000 0.545 322 M N 3.144 122.484 119.600 -0.435 0.000 2.190 322 M HA 0.421 4.905 4.480 0.006 0.000 0.312 322 M C -2.632 173.503 176.300 -0.275 0.000 0.990 322 M CA -3.247 51.681 55.300 -0.619 0.000 0.927 322 M CB 1.368 33.539 32.600 -0.715 0.000 1.571 322 M HN -0.274 nan 8.290 nan 0.000 0.427 323 P HA 0.063 nan 4.420 nan 0.000 0.271 323 P C -0.975 176.262 177.300 -0.105 0.000 1.216 323 P CA 0.483 63.501 63.100 -0.137 0.000 0.776 323 P CB 0.257 31.880 31.700 -0.129 0.000 0.881 324 E N 1.460 121.627 120.200 -0.055 0.000 2.222 324 E HA -0.166 4.188 4.350 0.006 0.000 0.189 324 E C -1.419 175.177 176.600 -0.008 0.000 1.415 324 E CA -0.065 56.321 56.400 -0.024 0.000 0.689 324 E CB -0.998 28.686 29.700 -0.026 0.000 1.107 324 E HN 0.526 nan 8.360 nan 0.000 0.350 325 P HA -0.064 nan 4.420 nan 0.000 0.245 325 P C 0.327 177.689 177.300 0.103 0.000 1.212 325 P CA 0.689 63.813 63.100 0.040 0.000 0.774 325 P CB 0.385 32.118 31.700 0.055 0.000 0.999 326 D N -0.889 119.574 120.400 0.104 0.000 2.398 326 D HA 0.059 4.702 4.640 0.006 0.000 0.210 326 D C 0.756 177.232 176.300 0.292 0.000 1.094 326 D CA 0.109 54.199 54.000 0.151 0.000 0.839 326 D CB 0.384 41.232 40.800 0.080 0.000 0.963 326 D HN 0.169 nan 8.370 nan 0.000 0.506 327 R N 1.435 122.043 120.500 0.181 0.000 2.229 327 R HA 0.299 4.642 4.340 0.006 0.000 0.328 327 R C -0.648 175.628 176.300 -0.040 0.000 1.009 327 R CA -0.709 55.447 56.100 0.094 0.000 0.864 327 R CB 0.683 31.001 30.300 0.031 0.000 1.085 327 R HN -0.095 nan 8.270 nan 0.000 0.453 328 L N 4.562 125.583 121.223 -0.338 0.000 2.385 328 L HA 0.209 4.553 4.340 0.006 0.000 0.281 328 L C -1.074 175.572 176.870 -0.373 0.000 1.106 328 L CA 0.561 54.978 54.840 -0.705 0.000 0.856 328 L CB 0.760 41.906 42.059 -1.522 0.000 1.186 328 L HN 0.606 nan 8.230 nan 0.000 0.453 329 D N 3.841 124.078 120.400 -0.271 0.000 2.473 329 D HA 0.196 4.839 4.640 0.006 0.000 0.253 329 D C 0.937 177.105 176.300 -0.220 0.000 1.233 329 D CA -0.386 53.494 54.000 -0.200 0.000 0.908 329 D CB 0.772 41.492 40.800 -0.134 0.000 1.170 329 D HN 0.541 nan 8.370 nan 0.000 0.558 330 I N 0.952 121.373 120.570 -0.248 0.000 3.291 330 I HA 0.056 4.230 4.170 0.006 0.000 0.279 330 I C 1.202 177.200 176.117 -0.197 0.000 1.294 330 I CA 0.752 61.878 61.300 -0.290 0.000 1.428 330 I CB -0.213 37.585 38.000 -0.337 0.000 1.070 330 I HN 0.297 nan 8.210 nan 0.000 0.478 331 T N -2.033 112.433 114.554 -0.146 0.000 3.086 331 T HA 0.194 4.548 4.350 0.006 0.000 0.250 331 T C 1.053 175.699 174.700 -0.090 0.000 1.074 331 T CA -0.376 61.662 62.100 -0.104 0.000 0.988 331 T CB -0.168 68.649 68.868 -0.084 0.000 0.988 331 T HN 0.346 nan 8.240 nan 0.000 0.530 332 R N 1.285 121.723 120.500 -0.104 0.000 2.811 332 R HA 0.045 4.389 4.340 0.006 0.000 0.265 332 R C -0.354 175.907 176.300 -0.065 0.000 1.026 332 R CA 0.273 56.318 56.100 -0.091 0.000 1.142 332 R CB 0.129 30.367 30.300 -0.105 0.000 1.027 332 R HN 0.064 nan 8.270 nan 0.000 0.465 333 D N 1.776 122.142 120.400 -0.057 0.000 3.035 333 D HA 0.230 4.874 4.640 0.006 0.000 0.290 333 D C -0.776 175.517 176.300 -0.013 0.000 1.360 333 D CA -0.209 53.775 54.000 -0.028 0.000 0.862 333 D CB 0.186 40.970 40.800 -0.026 0.000 1.078 333 D HN 0.615 nan 8.370 nan 0.000 0.487 334 A N 0.216 123.035 122.820 -0.002 0.000 2.520 334 A HA 0.449 4.773 4.320 0.006 0.000 0.235 334 A C 0.192 177.867 177.584 0.152 0.000 1.065 334 A CA 0.261 52.323 52.037 0.042 0.000 0.764 334 A CB 0.375 19.442 19.000 0.111 0.000 1.002 334 A HN 0.244 nan 8.150 nan 0.000 0.502 335 S N 0.050 115.887 115.700 0.229 0.000 2.689 335 S HA 0.601 5.075 4.470 0.006 0.000 0.274 335 S C 0.218 175.070 174.600 0.418 0.000 1.176 335 S CA 0.119 58.479 58.200 0.267 0.000 1.014 335 S CB 1.378 64.677 63.200 0.164 0.000 1.071 335 S HN 2.382 nan 8.310 nan 0.000 0.478 336 G N 2.073 111.070 108.800 0.327 0.000 2.173 336 G HA2 -0.044 3.919 3.960 0.006 0.000 0.174 336 G HA3 -0.044 3.919 3.960 0.006 0.000 0.174 336 G C 0.308 175.165 174.900 -0.071 0.000 1.025 336 G CA -0.407 44.804 45.100 0.185 0.000 0.706 336 G HN 1.080 nan 8.290 nan 0.000 0.499 337 G N -0.749 107.994 108.800 -0.095 0.000 2.544 337 G HA2 0.561 4.524 3.960 0.006 0.000 0.242 337 G HA3 0.561 4.524 3.960 0.006 0.000 0.242 337 G C 1.114 175.554 174.900 -0.766 0.000 1.247 337 G CA 0.428 45.214 45.100 -0.522 0.000 0.840 337 G HN 1.515 nan 8.290 nan 0.000 0.578 338 V N 0.469 120.033 119.914 -0.583 0.000 3.249 338 V HA 0.260 4.383 4.120 0.006 0.000 0.338 338 V C 1.354 177.293 176.094 -0.258 0.000 1.363 338 V CA 0.004 62.071 62.300 -0.388 0.000 1.205 338 V CB -1.436 30.250 31.823 -0.228 0.000 1.164 338 V HN 0.631 nan 8.190 nan 0.000 0.458 339 F N -1.091 118.813 119.950 -0.077 0.000 2.259 339 F HA 0.298 4.828 4.527 0.005 0.000 0.298 339 F C 1.699 177.366 175.800 -0.222 0.000 1.088 339 F CA 0.642 58.540 58.000 -0.170 0.000 1.358 339 F CB -1.049 37.783 39.000 -0.279 0.000 1.040 339 F HN 0.177 nan 8.300 nan 0.000 0.505 340 F N 0.881 120.844 119.950 0.021 0.000 2.765 340 F HA 0.471 5.003 4.527 0.008 0.000 0.302 340 F C 1.574 177.137 175.800 -0.394 0.000 1.111 340 F CA 0.243 58.126 58.000 -0.195 0.000 1.359 340 F CB -0.083 38.677 39.000 -0.399 0.000 1.097 340 F HN 0.300 nan 8.300 nan 0.000 0.577 341 G N 0.330 109.015 108.800 -0.191 0.000 2.587 341 G HA2 -0.171 3.793 3.960 0.006 0.000 0.212 341 G HA3 -0.171 3.793 3.960 0.006 0.000 0.212 341 G C -1.475 173.161 174.900 -0.441 0.000 1.327 341 G CA -0.531 44.182 45.100 -0.644 0.000 0.898 341 G HN 0.467 nan 8.290 nan 0.000 0.551 342 H N -0.959 117.614 119.070 -0.830 0.000 3.094 342 H HA 0.668 5.229 4.556 0.007 0.000 0.346 342 H C 0.542 175.796 175.328 -0.124 0.000 1.238 342 H CA 1.873 57.716 56.048 -0.341 0.000 1.209 342 H CB 1.221 30.767 29.762 -0.359 0.000 1.911 342 H HN 2.676 nan 8.280 nan 0.000 0.540 343 G N 2.095 110.540 108.800 -0.592 0.000 2.593 343 G HA2 -0.281 3.683 3.960 0.006 0.000 0.237 343 G HA3 -0.281 3.683 3.960 0.006 0.000 0.237 343 G C 1.277 176.119 174.900 -0.096 0.000 1.312 343 G CA 0.298 45.197 45.100 -0.335 0.000 0.896 343 G HN 1.307 nan 8.290 nan 0.000 0.574 344 I N -2.720 117.804 120.570 -0.076 0.000 2.530 344 I HA -0.038 4.136 4.170 0.006 0.000 0.257 344 I C 1.672 177.727 176.117 -0.103 0.000 1.179 344 I CA 2.175 63.423 61.300 -0.085 0.000 1.440 344 I CB -0.273 37.622 38.000 -0.176 0.000 1.087 344 I HN 0.467 nan 8.210 nan 0.000 0.440 345 H N 0.448 119.547 119.070 0.048 0.000 2.520 345 H HA 0.252 4.811 4.556 0.006 0.000 0.284 345 H C 0.117 175.512 175.328 0.112 0.000 1.037 345 H CA -0.616 55.485 56.048 0.089 0.000 1.168 345 H CB -0.137 29.663 29.762 0.063 0.000 1.497 345 H HN 0.364 nan 8.280 nan 0.000 0.547 346 F N 1.690 121.659 119.950 0.031 0.000 2.629 346 F HA -0.086 4.444 4.527 0.005 0.000 0.377 346 F C 0.933 176.762 175.800 0.048 0.000 1.101 346 F CA -0.310 57.678 58.000 -0.020 0.000 1.301 346 F CB 0.515 39.471 39.000 -0.074 0.000 1.062 346 F HN 0.114 nan 8.300 nan 0.000 0.583 347 C N 8.922 127.803 119.300 -0.698 0.000 2.409 347 C HA -0.056 4.407 4.460 0.006 0.000 0.399 347 C C 1.675 176.487 174.990 -0.297 0.000 1.505 347 C CA -0.271 58.488 59.018 -0.432 0.000 1.435 347 C CB -1.840 25.625 27.740 -0.459 0.000 2.462 347 C HN 1.028 nan 8.230 nan 0.000 0.619 348 L N 5.883 127.097 121.223 -0.015 0.000 2.093 348 L HA 0.188 4.531 4.340 0.006 0.000 0.208 348 L C 2.147 179.130 176.870 0.188 0.000 1.085 348 L CA 2.343 57.267 54.840 0.139 0.000 0.755 348 L CB -0.376 41.827 42.059 0.239 0.000 0.904 348 L HN 0.862 nan 8.230 nan 0.000 0.435 349 G N -1.893 107.000 108.800 0.155 0.000 3.678 349 G HA2 0.331 4.295 3.960 0.006 0.000 0.287 349 G HA3 0.331 4.295 3.960 0.006 0.000 0.287 349 G C 1.220 176.047 174.900 -0.121 0.000 1.280 349 G CA 0.374 45.575 45.100 0.169 0.000 1.118 349 G HN 0.495 nan 8.290 nan 0.000 0.563 350 A N 0.194 122.783 122.820 -0.384 0.000 1.877 350 A HA -0.093 4.230 4.320 0.006 0.000 0.216 350 A C 2.307 179.600 177.584 -0.485 0.000 1.186 350 A CA 1.260 52.737 52.037 -0.933 0.000 0.620 350 A CB -0.176 18.192 19.000 -1.052 0.000 0.822 350 A HN 0.354 nan 8.150 nan 0.000 0.443 351 Q N -1.120 118.553 119.800 -0.212 0.000 2.172 351 Q HA -0.089 4.254 4.340 0.006 0.000 0.200 351 Q C 2.061 178.050 176.000 -0.018 0.000 0.964 351 Q CA 1.174 56.932 55.803 -0.074 0.000 0.855 351 Q CB -0.345 28.355 28.738 -0.062 0.000 0.918 351 Q HN 0.583 nan 8.270 nan 0.000 0.444 352 L N 0.568 121.783 121.223 -0.014 0.000 2.093 352 L HA -0.036 4.308 4.340 0.006 0.000 0.208 352 L C 2.070 178.992 176.870 0.087 0.000 1.085 352 L CA 1.953 56.825 54.840 0.054 0.000 0.755 352 L CB -0.854 41.276 42.059 0.117 0.000 0.904 352 L HN 0.081 nan 8.230 nan 0.000 0.435 353 A N -0.244 122.630 122.820 0.089 0.000 1.877 353 A HA -0.228 4.096 4.320 0.006 0.000 0.216 353 A C 2.431 180.137 177.584 0.203 0.000 1.186 353 A CA 1.847 53.987 52.037 0.172 0.000 0.620 353 A CB -0.548 18.613 19.000 0.267 0.000 0.822 353 A HN 0.490 nan 8.150 nan 0.000 0.443 354 R N -0.555 120.069 120.500 0.208 0.000 2.091 354 R HA -0.064 4.280 4.340 0.006 0.000 0.238 354 R C 2.124 178.509 176.300 0.142 0.000 1.136 354 R CA 1.414 57.637 56.100 0.205 0.000 0.959 354 R CB -0.522 29.899 30.300 0.200 0.000 0.856 354 R HN 0.485 nan 8.270 nan 0.000 0.437 355 L N 0.707 121.995 121.223 0.108 0.000 1.970 355 L HA -0.225 4.118 4.340 0.006 0.000 0.212 355 L C 2.289 179.218 176.870 0.099 0.000 1.071 355 L CA 1.774 56.667 54.840 0.089 0.000 0.751 355 L CB -0.673 41.426 42.059 0.067 0.000 0.889 355 L HN 0.291 nan 8.230 nan 0.000 0.432 356 E N -0.142 120.119 120.200 0.102 0.000 2.114 356 E HA -0.227 4.127 4.350 0.006 0.000 0.199 356 E C 2.059 178.729 176.600 0.118 0.000 1.008 356 E CA 1.240 57.699 56.400 0.099 0.000 0.810 356 E CB -0.360 29.400 29.700 0.099 0.000 0.739 356 E HN 0.603 nan 8.360 nan 0.000 0.456 357 G N 1.651 110.536 108.800 0.141 0.000 2.480 357 G HA2 -0.369 3.594 3.960 0.006 0.000 0.216 357 G HA3 -0.369 3.594 3.960 0.006 0.000 0.216 357 G C 1.544 176.549 174.900 0.174 0.000 1.200 357 G CA 1.403 46.602 45.100 0.166 0.000 0.782 357 G HN 0.298 nan 8.290 nan 0.000 0.554 358 R N -0.078 120.511 120.500 0.150 0.000 2.096 358 R HA 0.055 4.398 4.340 0.006 0.000 0.235 358 R C 2.257 178.640 176.300 0.139 0.000 1.127 358 R CA 1.690 57.872 56.100 0.137 0.000 0.968 358 R CB -0.710 29.651 30.300 0.102 0.000 0.861 358 R HN 0.252 nan 8.270 nan 0.000 0.440 359 V N 1.423 121.413 119.914 0.127 0.000 2.283 359 V HA -0.106 4.018 4.120 0.006 0.000 0.243 359 V C 2.710 178.904 176.094 0.166 0.000 1.039 359 V CA 1.813 64.188 62.300 0.124 0.000 1.016 359 V CB -0.881 30.999 31.823 0.095 0.000 0.650 359 V HN 0.579 nan 8.190 nan 0.000 0.449 360 A N 0.089 123.010 122.820 0.169 0.000 1.883 360 A HA -0.207 4.117 4.320 0.006 0.000 0.217 360 A C 2.180 179.978 177.584 0.356 0.000 1.186 360 A CA 2.270 54.453 52.037 0.243 0.000 0.624 360 A CB -0.587 18.502 19.000 0.148 0.000 0.822 360 A HN 0.514 nan 8.150 nan 0.000 0.444 361 I N -0.796 119.951 120.570 0.295 0.000 2.193 361 I HA -0.098 4.076 4.170 0.006 0.000 0.240 361 I C 2.786 179.119 176.117 0.361 0.000 1.084 361 I CA 0.998 62.504 61.300 0.344 0.000 1.365 361 I CB -0.817 37.367 38.000 0.306 0.000 1.064 361 I HN 0.377 nan 8.210 nan 0.000 0.410 362 G N 1.004 109.956 108.800 0.253 0.000 2.446 362 G HA2 -0.225 3.738 3.960 0.006 0.000 0.217 362 G HA3 -0.225 3.738 3.960 0.006 0.000 0.217 362 G C 1.795 176.814 174.900 0.199 0.000 1.168 362 G CA 0.546 45.767 45.100 0.202 0.000 0.771 362 G HN 0.145 nan 8.290 nan 0.000 0.551 363 R N -0.242 120.367 120.500 0.182 0.000 2.115 363 R HA 0.071 4.415 4.340 0.006 0.000 0.226 363 R C 2.460 178.830 176.300 0.116 0.000 1.100 363 R CA 0.694 56.881 56.100 0.145 0.000 0.980 363 R CB -1.134 29.252 30.300 0.143 0.000 0.875 363 R HN 0.462 nan 8.270 nan 0.000 0.445 364 L N 0.033 121.329 121.223 0.122 0.000 2.046 364 L HA -0.074 4.270 4.340 0.006 0.000 0.208 364 L C 1.816 178.587 176.870 -0.164 0.000 1.077 364 L CA 1.720 56.499 54.840 -0.102 0.000 0.747 364 L CB -0.577 41.343 42.059 -0.232 0.000 0.896 364 L HN -0.047 nan 8.230 nan 0.000 0.432 365 F N -0.322 119.620 119.950 -0.013 0.000 2.234 365 F HA 0.080 4.611 4.527 0.007 0.000 0.296 365 F C 2.497 178.296 175.800 -0.002 0.000 1.089 365 F CA 1.097 59.092 58.000 -0.008 0.000 1.343 365 F CB -0.873 38.137 39.000 0.016 0.000 1.040 365 F HN 0.164 nan 8.300 nan 0.000 0.498 366 A N -0.504 122.423 122.820 0.179 0.000 1.972 366 A HA -0.243 4.081 4.320 0.006 0.000 0.219 366 A C 1.746 179.361 177.584 0.051 0.000 1.169 366 A CA 2.210 54.309 52.037 0.103 0.000 0.635 366 A CB -0.924 18.132 19.000 0.092 0.000 0.810 366 A HN 0.402 nan 8.150 nan 0.000 0.446 367 D N -1.362 119.052 120.400 0.024 0.000 2.183 367 D HA -0.027 4.616 4.640 0.006 0.000 0.205 367 D C 0.618 176.893 176.300 -0.042 0.000 0.962 367 D CA 0.625 54.620 54.000 -0.009 0.000 0.849 367 D CB 0.202 40.992 40.800 -0.017 0.000 0.978 367 D HN 0.097 nan 8.370 nan 0.000 0.488 368 R N 0.211 120.660 120.500 -0.084 0.000 2.494 368 R HA 0.234 4.577 4.340 0.006 0.000 0.284 368 R C -2.218 174.028 176.300 -0.091 0.000 1.525 368 R CA -1.607 54.426 56.100 -0.112 0.000 1.460 368 R CB 1.022 31.209 30.300 -0.188 0.000 1.134 368 R HN 0.157 nan 8.270 nan 0.000 0.592 369 P HA -0.041 nan 4.420 nan 0.000 0.230 369 P C 0.426 177.740 177.300 0.022 0.000 1.158 369 P CA 0.825 63.947 63.100 0.036 0.000 0.769 369 P CB 0.544 32.267 31.700 0.038 0.000 0.807 370 E N -0.634 119.554 120.200 -0.020 0.000 2.419 370 E HA 0.103 4.457 4.350 0.006 0.000 0.190 370 E C 0.332 176.903 176.600 -0.049 0.000 1.040 370 E CA -0.579 55.808 56.400 -0.021 0.000 0.900 370 E CB -0.417 29.269 29.700 -0.024 0.000 1.054 370 E HN 0.196 nan 8.360 nan 0.000 0.462 371 L N 1.653 122.820 121.223 -0.094 0.000 2.499 371 L HA 0.245 4.589 4.340 0.006 0.000 0.273 371 L C -0.300 176.525 176.870 -0.075 0.000 1.195 371 L CA 0.102 54.848 54.840 -0.156 0.000 0.882 371 L CB 0.402 42.240 42.059 -0.369 0.000 1.133 371 L HN 0.048 nan 8.230 nan 0.000 0.483 372 A N 5.217 127.994 122.820 -0.072 0.000 2.594 372 A HA 0.527 4.851 4.320 0.006 0.000 0.295 372 A C -1.123 176.438 177.584 -0.039 0.000 1.071 372 A CA -0.778 51.241 52.037 -0.030 0.000 0.685 372 A CB 0.777 19.766 19.000 -0.018 0.000 1.285 372 A HN 0.692 nan 8.150 nan 0.000 0.405 373 L N 1.459 122.671 121.223 -0.018 0.000 2.455 373 L HA 0.255 4.599 4.340 0.006 0.000 0.272 373 L C 1.397 178.251 176.870 -0.026 0.000 1.174 373 L CA 0.197 55.023 54.840 -0.023 0.000 0.869 373 L CB 1.415 43.471 42.059 -0.005 0.000 1.130 373 L HN 0.951 nan 8.230 nan 0.000 0.474 374 A N 4.578 127.377 122.820 -0.036 0.000 2.307 374 A HA 0.355 4.678 4.320 0.006 0.000 0.218 374 A C 0.200 177.768 177.584 -0.027 0.000 1.228 374 A CA 0.137 52.154 52.037 -0.033 0.000 0.857 374 A CB -0.115 18.860 19.000 -0.042 0.000 0.897 374 A HN 0.496 nan 8.150 nan 0.000 0.495 375 V N -4.959 114.941 119.914 -0.023 0.000 3.181 375 V HA 0.885 5.008 4.120 0.006 0.000 0.308 375 V C 0.366 176.456 176.094 -0.006 0.000 1.214 375 V CA -0.570 61.721 62.300 -0.016 0.000 1.053 375 V CB 0.779 32.589 31.823 -0.021 0.000 1.069 375 V HN 0.394 nan 8.190 nan 0.000 0.441 376 G N 0.270 109.070 108.800 0.000 0.000 2.544 376 G HA2 0.352 4.316 3.960 0.006 0.000 0.242 376 G HA3 0.352 4.316 3.960 0.006 0.000 0.242 376 G C 0.559 175.471 174.900 0.020 0.000 1.247 376 G CA -0.340 44.766 45.100 0.010 0.000 0.840 376 G HN 0.921 nan 8.290 nan 0.000 0.578 377 L N 0.824 122.066 121.223 0.031 0.000 2.079 377 L HA -0.103 4.240 4.340 0.006 0.000 0.210 377 L C 2.487 179.401 176.870 0.074 0.000 1.081 377 L CA 2.574 57.447 54.840 0.055 0.000 0.752 377 L CB -0.627 41.467 42.059 0.058 0.000 0.896 377 L HN 0.810 nan 8.230 nan 0.000 0.433 378 D N -1.226 119.210 120.400 0.059 0.000 2.269 378 D HA -0.204 4.440 4.640 0.006 0.000 0.208 378 D C 1.548 177.886 176.300 0.064 0.000 0.963 378 D CA 0.602 54.643 54.000 0.069 0.000 0.864 378 D CB -0.355 40.475 40.800 0.050 0.000 0.936 378 D HN 0.440 nan 8.370 nan 0.000 0.505 379 E N 0.045 120.269 120.200 0.040 0.000 2.418 379 E HA 0.074 4.428 4.350 0.006 0.000 0.197 379 E C 0.425 177.032 176.600 0.011 0.000 1.026 379 E CA -0.128 56.285 56.400 0.023 0.000 0.862 379 E CB 0.126 29.830 29.700 0.007 0.000 0.799 379 E HN 0.354 nan 8.360 nan 0.000 0.518 380 L N 1.748 122.979 121.223 0.013 0.000 2.410 380 L HA 0.068 4.412 4.340 0.006 0.000 0.273 380 L C -0.144 176.709 176.870 -0.028 0.000 1.152 380 L CA -0.349 54.457 54.840 -0.056 0.000 0.855 380 L CB 0.742 42.735 42.059 -0.110 0.000 1.129 380 L HN -0.161 nan 8.230 nan 0.000 0.463 381 V N 3.876 123.737 119.914 -0.088 0.000 2.394 381 V HA 0.285 4.409 4.120 0.006 0.000 0.282 381 V C -0.431 175.604 176.094 -0.099 0.000 1.031 381 V CA -0.560 61.730 62.300 -0.015 0.000 0.881 381 V CB 0.936 32.753 31.823 -0.010 0.000 0.982 381 V HN 0.372 nan 8.190 nan 0.000 0.451 382 Y N 3.085 123.418 120.300 0.054 0.000 2.387 382 Y HA 0.516 5.070 4.550 0.006 0.000 0.330 382 Y C 0.988 176.890 175.900 0.004 0.000 1.133 382 Y CA -0.743 57.396 58.100 0.064 0.000 1.152 382 Y CB 1.152 39.685 38.460 0.122 0.000 1.215 382 Y HN 0.469 nan 8.280 nan 0.000 0.466 383 R N 1.662 122.246 120.500 0.139 0.000 2.570 383 R HA 0.025 4.368 4.340 0.006 0.000 0.277 383 R C -0.416 175.753 176.300 -0.219 0.000 1.039 383 R CA 0.033 56.121 56.100 -0.021 0.000 1.065 383 R CB 0.307 30.614 30.300 0.010 0.000 0.964 383 R HN 0.733 nan 8.270 nan 0.000 0.428 384 E N 1.319 121.211 120.200 -0.513 0.000 2.261 384 E HA 0.033 4.386 4.350 0.006 0.000 0.308 384 E C -0.537 175.568 176.600 -0.826 0.000 1.400 384 E CA -0.032 55.601 56.400 -1.278 0.000 1.542 384 E CB 0.666 29.648 29.700 -1.197 0.000 1.369 384 E HN 0.247 nan 8.360 nan 0.000 0.493 385 S N 0.036 115.491 115.700 -0.409 0.000 2.472 385 S HA 0.199 4.673 4.470 0.006 0.000 0.303 385 S C 1.208 175.997 174.600 0.314 0.000 1.099 385 S CA -0.616 57.567 58.200 -0.028 0.000 1.077 385 S CB 1.388 64.603 63.200 0.027 0.000 1.031 385 S HN 0.245 nan 8.310 nan 0.000 0.487 386 T N 5.387 120.130 114.554 0.315 0.000 2.701 386 T HA -0.056 4.297 4.350 0.006 0.000 0.263 386 T C 1.785 176.704 174.700 0.365 0.000 1.040 386 T CA 1.353 63.692 62.100 0.399 0.000 1.147 386 T CB -0.397 68.513 68.868 0.071 0.000 0.865 386 T HN 0.605 nan 8.240 nan 0.000 0.426 387 L N 0.444 121.793 121.223 0.209 0.000 2.156 387 L HA 0.096 4.439 4.340 0.006 0.000 0.208 387 L C 0.747 177.734 176.870 0.195 0.000 1.095 387 L CA 0.415 55.357 54.840 0.170 0.000 0.770 387 L CB -0.260 41.859 42.059 0.099 0.000 0.914 387 L HN 0.095 nan 8.230 nan 0.000 0.439 388 V N -0.007 120.033 119.914 0.209 0.000 2.547 388 V HA 0.362 4.485 4.120 0.006 0.000 0.299 388 V C -0.305 175.929 176.094 0.234 0.000 1.040 388 V CA -0.680 61.728 62.300 0.181 0.000 0.913 388 V CB 1.912 33.806 31.823 0.119 0.000 0.992 388 V HN 0.181 nan 8.190 nan 0.000 0.449 389 R N 3.100 123.722 120.500 0.202 0.000 2.310 389 R HA 0.723 5.066 4.340 0.006 0.000 0.316 389 R C -0.408 176.038 176.300 0.243 0.000 1.004 389 R CA 0.175 56.405 56.100 0.217 0.000 0.900 389 R CB 0.986 31.379 30.300 0.155 0.000 1.152 389 R HN 0.937 nan 8.270 nan 0.000 0.513 390 G N 2.591 111.587 108.800 0.326 0.000 2.547 390 G HA2 0.353 4.317 3.960 0.006 0.000 0.291 390 G HA3 0.353 4.317 3.960 0.006 0.000 0.291 390 G C -1.756 173.285 174.900 0.235 0.000 1.471 390 G CA -0.947 44.324 45.100 0.284 0.000 0.798 390 G HN 0.377 nan 8.290 nan 0.000 0.504 391 L N 0.873 122.118 121.223 0.037 0.000 2.375 391 L HA 0.384 4.728 4.340 0.006 0.000 0.271 391 L C 1.865 178.737 176.870 0.004 0.000 1.107 391 L CA -0.291 54.451 54.840 -0.164 0.000 0.806 391 L CB 1.793 43.693 42.059 -0.264 0.000 1.146 391 L HN 0.739 nan 8.230 nan 0.000 0.447 392 S N 1.191 116.873 115.700 -0.030 0.000 2.388 392 S HA 0.148 4.622 4.470 0.006 0.000 0.223 392 S C 0.810 175.372 174.600 -0.063 0.000 1.034 392 S CA 0.156 58.380 58.200 0.040 0.000 0.963 392 S CB 0.115 63.326 63.200 0.018 0.000 0.827 392 S HN 0.602 nan 8.310 nan 0.000 0.481 393 R N -0.160 120.266 120.500 -0.122 0.000 2.725 393 R HA 0.557 4.901 4.340 0.006 0.000 0.277 393 R C -1.484 174.724 176.300 -0.154 0.000 0.987 393 R CA -0.301 55.702 56.100 -0.162 0.000 0.901 393 R CB 1.901 32.123 30.300 -0.130 0.000 1.207 393 R HN 0.245 nan 8.270 nan 0.000 0.463 394 M N 3.753 123.266 119.600 -0.146 0.000 1.956 394 M HA 0.330 4.814 4.480 0.006 0.000 0.256 394 M C -2.659 173.582 176.300 -0.100 0.000 0.869 394 M CA -1.853 53.377 55.300 -0.116 0.000 0.886 394 M CB 1.757 34.299 32.600 -0.096 0.000 1.739 394 M HN 0.186 nan 8.290 nan 0.000 0.381 395 P HA 0.097 nan 4.420 nan 0.000 0.266 395 P C -0.858 176.399 177.300 -0.072 0.000 1.215 395 P CA -0.006 63.047 63.100 -0.077 0.000 0.763 395 P CB 0.450 32.112 31.700 -0.063 0.000 0.806 396 V N 0.869 120.734 119.914 -0.081 0.000 3.001 396 V HA 0.683 4.807 4.120 0.006 0.000 0.314 396 V C -0.370 175.673 176.094 -0.085 0.000 1.099 396 V CA -0.649 61.599 62.300 -0.087 0.000 0.989 396 V CB 2.167 33.920 31.823 -0.118 0.000 1.040 396 V HN 0.259 nan 8.190 nan 0.000 0.434 397 T N 4.886 119.391 114.554 -0.081 0.000 2.749 397 T HA 0.402 4.756 4.350 0.006 0.000 0.287 397 T C 1.022 175.662 174.700 -0.100 0.000 0.970 397 T CA -0.477 61.577 62.100 -0.077 0.000 0.980 397 T CB 1.217 70.051 68.868 -0.056 0.000 0.924 397 T HN 0.652 nan 8.240 nan 0.000 0.456 398 M N 2.055 121.591 119.600 -0.105 0.000 2.098 398 M HA 0.179 4.663 4.480 0.006 0.000 0.262 398 M C 1.490 177.724 176.300 -0.111 0.000 1.072 398 M CA 1.262 56.483 55.300 -0.132 0.000 1.133 398 M CB -1.542 30.985 32.600 -0.122 0.000 1.344 398 M HN 0.928 nan 8.290 nan 0.000 0.414 399 G N 0.783 109.536 108.800 -0.078 0.000 2.756 399 G HA2 -0.110 3.854 3.960 0.006 0.000 0.678 399 G HA3 -0.110 3.854 3.960 0.006 0.000 0.678 399 G C -2.786 172.082 174.900 -0.053 0.000 1.349 399 G CA -1.012 44.052 45.100 -0.059 0.000 0.847 399 G HN 0.221 nan 8.290 nan 0.000 0.548 400 P HA 0.195 nan 4.420 nan 0.000 0.265 400 P C 0.129 177.410 177.300 -0.032 0.000 1.193 400 P CA 0.189 63.271 63.100 -0.030 0.000 0.765 400 P CB 0.383 32.071 31.700 -0.021 0.000 0.823 401 R N 1.519 122.002 120.500 -0.028 0.000 2.543 401 R HA 0.269 4.613 4.340 0.006 0.000 0.277 401 R C 0.621 176.913 176.300 -0.013 0.000 1.074 401 R CA -0.284 55.801 56.100 -0.024 0.000 1.076 401 R CB 0.090 30.378 30.300 -0.020 0.000 0.993 401 R HN 0.514 nan 8.270 nan 0.000 0.459 402 S N 1.094 116.789 115.700 -0.008 0.000 2.452 402 S HA 0.568 5.041 4.470 0.006 0.000 0.284 402 S C -0.065 174.538 174.600 0.004 0.000 1.171 402 S CA -0.859 57.341 58.200 0.001 0.000 1.064 402 S CB 1.722 64.926 63.200 0.007 0.000 0.967 402 S HN 0.695 nan 8.310 nan 0.000 0.484 403 A N 0.000 122.823 122.820 0.004 0.000 2.254 403 A HA 0.000 4.324 4.320 0.006 0.000 0.244 403 A CA 0.000 52.041 52.037 0.006 0.000 0.836 403 A CB 0.000 19.002 19.000 0.004 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486