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 1q1b_1_C DATA FIRST_RESID 4 DATA SEQUENCE VQLQNVTKAW GEVVVSKDIN LDIHEGEFVV FVGPSGCGKS TLLRMIAGLE DATA SEQUENCE TITSGDLFIG EKRMNDTPPA ERGVGMVFQS YALYPHLSVA ENMSFGLKLA DATA SEQUENCE GAKKEVINQR VNQVAEVLQL AHLLDRKPKA LSGGQRQRVA IGRTLVAEPS DATA SEQUENCE VFLLDEPLSN LDAALRVQMR IEISRLHKRL GRTMIYVTHD QVEAMTLADK DATA SEQUENCE IVVLDAGRVA QVGKPLELYH YPADRFVAGF IGSPKMNFLP VKVTATAIDQ DATA SEQUENCE VQVELPMPNR QQVWLPVESR DVQVGANMSL GIRPEHLLPS DIADVILEGE DATA SEQUENCE VQVVEQLGNE TQIHIQIPSI RQNLVYRQND VVLVEEGATF AIGLPPERCH DATA SEQUENCE LFREDGTACR RLHKEPG 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 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.159 176.094 0.109 0.000 1.182 4 V CA 0.000 62.358 62.300 0.097 0.000 1.235 4 V CB 0.000 31.865 31.823 0.070 0.000 1.184 5 Q N 3.119 123.007 119.800 0.146 0.000 2.309 5 Q HA 0.830 5.170 4.340 0.000 0.000 0.273 5 Q C -2.303 173.804 176.000 0.178 0.000 1.040 5 Q CA -0.687 55.206 55.803 0.150 0.000 0.834 5 Q CB 2.449 31.277 28.738 0.151 0.000 1.345 5 Q HN 0.655 nan 8.270 nan 0.000 0.414 6 L N 2.198 123.499 121.223 0.130 0.000 2.354 6 L HA 0.586 4.927 4.340 0.000 0.000 0.269 6 L C -0.913 176.016 176.870 0.099 0.000 1.005 6 L CA -0.259 54.645 54.840 0.107 0.000 0.819 6 L CB 2.261 44.358 42.059 0.063 0.000 1.311 6 L HN 0.645 nan 8.230 nan 0.000 0.423 7 Q N 1.301 121.157 119.800 0.094 0.000 2.289 7 Q HA 0.355 4.695 4.340 0.000 0.000 0.270 7 Q C -0.590 175.435 176.000 0.042 0.000 1.038 7 Q CA -0.845 55.005 55.803 0.078 0.000 0.812 7 Q CB 1.682 30.496 28.738 0.126 0.000 1.300 7 Q HN 0.567 nan 8.270 nan 0.000 0.427 8 N N -0.221 118.491 118.700 0.021 0.000 2.701 8 N HA -0.177 4.564 4.740 0.000 0.000 0.252 8 N C -0.913 174.588 175.510 -0.014 0.000 1.002 8 N CA 0.557 53.608 53.050 0.001 0.000 0.758 8 N CB -0.787 37.705 38.487 0.008 0.000 0.937 8 N HN 0.226 nan 8.380 nan 0.000 0.538 9 V N -0.062 119.839 119.914 -0.022 0.000 2.614 9 V HA 0.305 4.425 4.120 0.000 0.000 0.291 9 V C 0.965 177.019 176.094 -0.066 0.000 1.049 9 V CA 0.271 62.546 62.300 -0.042 0.000 1.038 9 V CB 1.589 33.388 31.823 -0.040 0.000 0.980 9 V HN 0.251 nan 8.190 nan 0.000 0.481 10 T N 4.649 119.155 114.554 -0.080 0.000 2.909 10 T HA 0.593 4.943 4.350 0.000 0.000 0.299 10 T C -0.894 173.722 174.700 -0.140 0.000 1.073 10 T CA -0.833 61.205 62.100 -0.104 0.000 0.999 10 T CB 1.935 70.751 68.868 -0.085 0.000 1.098 10 T HN 0.628 nan 8.240 nan 0.000 0.477 11 K N 1.408 121.692 120.400 -0.194 0.000 2.507 11 K HA 0.804 5.125 4.320 0.000 0.000 0.251 11 K C -1.718 174.677 176.600 -0.341 0.000 0.943 11 K CA -0.516 55.596 56.287 -0.292 0.000 0.794 11 K CB 1.495 33.772 32.500 -0.371 0.000 1.188 11 K HN 0.782 nan 8.250 nan 0.000 0.428 12 A N 3.803 126.428 122.820 -0.326 0.000 2.427 12 A HA 0.578 4.898 4.320 0.000 0.000 0.298 12 A C -1.639 175.835 177.584 -0.183 0.000 1.036 12 A CA -0.730 51.165 52.037 -0.236 0.000 0.701 12 A CB 0.778 19.715 19.000 -0.105 0.000 1.250 12 A HN 0.638 nan 8.150 nan 0.000 0.412 13 W N 2.948 124.237 121.300 -0.019 0.000 2.175 13 W HA 0.495 5.155 4.660 0.000 0.000 0.350 13 W C 0.785 177.295 176.519 -0.016 0.000 0.877 13 W CA 0.587 57.922 57.345 -0.017 0.000 1.544 13 W CB 0.489 29.939 29.460 -0.018 0.000 1.585 13 W HN 1.558 nan 8.180 nan 0.000 0.347 14 G N 2.295 111.196 108.800 0.168 0.000 2.488 14 G HA2 -0.262 3.698 3.960 0.000 0.000 0.237 14 G HA3 -0.262 3.698 3.960 0.000 0.000 0.237 14 G C 0.276 175.212 174.900 0.061 0.000 1.209 14 G CA -0.446 44.713 45.100 0.099 0.000 0.929 14 G HN 0.204 nan 8.290 nan 0.000 0.578 15 E N 0.999 121.228 120.200 0.047 0.000 2.351 15 E HA 0.350 4.700 4.350 0.000 0.000 0.236 15 E C 0.596 177.212 176.600 0.027 0.000 1.341 15 E CA 0.799 57.215 56.400 0.027 0.000 1.579 15 E CB -0.108 29.603 29.700 0.019 0.000 1.393 15 E HN 1.370 nan 8.360 nan 0.000 0.438 16 V N -2.815 117.122 119.914 0.040 0.000 2.733 16 V HA 0.508 4.628 4.120 0.000 0.000 0.306 16 V C -0.127 175.972 176.094 0.007 0.000 1.084 16 V CA -1.137 61.185 62.300 0.035 0.000 0.905 16 V CB 1.972 33.839 31.823 0.073 0.000 1.010 16 V HN -0.178 nan 8.190 nan 0.000 0.424 17 V N 4.962 124.862 119.914 -0.023 0.000 2.439 17 V HA 0.577 4.697 4.120 0.000 0.000 0.282 17 V C 0.755 176.804 176.094 -0.075 0.000 1.039 17 V CA 0.250 62.510 62.300 -0.067 0.000 0.913 17 V CB 1.507 33.291 31.823 -0.066 0.000 0.983 17 V HN 1.351 nan 8.190 nan 0.000 0.460 18 V N 0.664 120.495 119.914 -0.139 0.000 2.967 18 V HA 0.624 4.744 4.120 0.000 0.000 0.364 18 V C -0.044 175.939 176.094 -0.185 0.000 1.373 18 V CA 0.150 62.367 62.300 -0.138 0.000 1.193 18 V CB 0.410 32.156 31.823 -0.130 0.000 1.236 18 V HN 0.864 nan 8.190 nan 0.000 0.582 19 S N 0.823 116.422 115.700 -0.169 0.000 2.514 19 S HA 0.347 4.817 4.470 0.000 0.000 0.183 19 S C -0.536 173.982 174.600 -0.137 0.000 0.656 19 S CA -0.692 57.409 58.200 -0.166 0.000 0.872 19 S CB 0.169 63.248 63.200 -0.201 0.000 1.436 19 S HN 0.591 nan 8.310 nan 0.000 0.427 20 K N 1.796 122.125 120.400 -0.118 0.000 2.180 20 K HA 0.301 4.621 4.320 0.000 0.000 0.251 20 K C -0.119 176.429 176.600 -0.087 0.000 1.014 20 K CA -0.546 55.683 56.287 -0.096 0.000 0.913 20 K CB 0.185 32.632 32.500 -0.088 0.000 1.008 20 K HN 0.458 nan 8.250 nan 0.000 0.490 21 D N 2.090 122.450 120.400 -0.067 0.000 4.884 21 D HA -0.145 4.495 4.640 0.000 0.000 0.256 21 D C 0.066 176.334 176.300 -0.053 0.000 1.544 21 D CA 0.751 54.720 54.000 -0.052 0.000 1.066 21 D CB -0.785 39.993 40.800 -0.037 0.000 1.319 21 D HN 0.435 nan 8.370 nan 0.000 0.745 22 I N -0.716 119.819 120.570 -0.059 0.000 2.331 22 I HA 0.350 4.521 4.170 0.000 0.000 0.292 22 I C -0.676 175.424 176.117 -0.029 0.000 0.998 22 I CA -0.783 60.481 61.300 -0.060 0.000 1.267 22 I CB 1.115 39.059 38.000 -0.093 0.000 1.386 22 I HN -0.186 nan 8.210 nan 0.000 0.476 23 N N 6.707 125.396 118.700 -0.018 0.000 2.483 23 N HA 0.616 5.356 4.740 0.000 0.000 0.267 23 N C -1.450 174.068 175.510 0.013 0.000 0.998 23 N CA -0.315 52.740 53.050 0.008 0.000 0.918 23 N CB 1.874 40.369 38.487 0.013 0.000 1.215 23 N HN 0.537 nan 8.380 nan 0.000 0.500 24 L N 1.224 122.465 121.223 0.031 0.000 2.365 24 L HA 0.434 4.774 4.340 0.000 0.000 0.273 24 L C -0.587 176.307 176.870 0.040 0.000 1.000 24 L CA -0.475 54.389 54.840 0.041 0.000 0.819 24 L CB 1.914 44.019 42.059 0.076 0.000 1.284 24 L HN 0.440 nan 8.230 nan 0.000 0.418 25 D N 3.236 123.636 120.400 0.001 0.000 2.456 25 D HA 0.348 4.988 4.640 0.000 0.000 0.287 25 D C -0.678 175.513 176.300 -0.181 0.000 1.186 25 D CA -0.175 53.807 54.000 -0.029 0.000 0.916 25 D CB 0.286 41.088 40.800 0.003 0.000 1.029 25 D HN 0.279 nan 8.370 nan 0.000 0.498 26 I N 3.182 123.706 120.570 -0.077 0.000 2.363 26 I HA 0.143 4.313 4.170 0.000 0.000 0.292 26 I C 0.702 176.801 176.117 -0.030 0.000 1.075 26 I CA -0.267 60.976 61.300 -0.095 0.000 1.333 26 I CB 0.339 38.344 38.000 0.008 0.000 1.415 26 I HN 0.296 nan 8.210 nan 0.000 0.502 27 H N 4.259 123.369 119.070 0.068 0.000 2.607 27 H HA 0.123 4.679 4.556 0.000 0.000 0.367 27 H C 0.167 175.533 175.328 0.063 0.000 1.181 27 H CA -0.728 55.355 56.048 0.059 0.000 1.402 27 H CB 0.736 30.532 29.762 0.057 0.000 1.474 27 H HN 0.555 nan 8.280 nan 0.000 0.596 28 E N 0.745 121.060 120.200 0.192 0.000 2.414 28 E HA 0.053 4.403 4.350 0.000 0.000 0.263 28 E C 0.806 177.487 176.600 0.134 0.000 1.000 28 E CA 0.812 57.289 56.400 0.128 0.000 0.914 28 E CB 0.101 29.856 29.700 0.092 0.000 0.948 28 E HN 0.887 nan 8.360 nan 0.000 0.444 29 G N 3.597 112.477 108.800 0.133 0.000 2.225 29 G HA2 -0.307 3.653 3.960 0.000 0.000 0.254 29 G HA3 -0.307 3.653 3.960 0.000 0.000 0.254 29 G C -0.021 175.034 174.900 0.258 0.000 0.988 29 G CA 0.269 45.469 45.100 0.166 0.000 0.625 29 G HN 0.617 nan 8.290 nan 0.000 0.527 30 E N 0.004 120.319 120.200 0.191 0.000 2.344 30 E HA 0.394 4.744 4.350 0.000 0.000 0.270 30 E C -0.730 175.924 176.600 0.091 0.000 1.021 30 E CA -0.651 55.855 56.400 0.178 0.000 0.887 30 E CB 0.565 30.337 29.700 0.120 0.000 0.997 30 E HN 0.153 nan 8.360 nan 0.000 0.429 31 F N 4.977 124.883 119.950 -0.073 0.000 2.334 31 F HA 0.201 4.728 4.527 0.000 0.000 0.365 31 F C -0.669 175.039 175.800 -0.153 0.000 1.124 31 F CA -0.715 57.111 58.000 -0.289 0.000 1.166 31 F CB 0.232 38.841 39.000 -0.652 0.000 1.355 31 F HN 0.071 nan 8.300 nan 0.000 0.532 32 V N 5.925 125.862 119.914 0.038 0.000 2.617 32 V HA 0.541 4.661 4.120 0.000 0.000 0.298 32 V C -0.428 175.737 176.094 0.118 0.000 1.048 32 V CA -0.831 61.526 62.300 0.096 0.000 0.964 32 V CB 1.800 33.630 31.823 0.011 0.000 1.004 32 V HN 0.367 nan 8.190 nan 0.000 0.466 33 V N 3.865 123.892 119.914 0.188 0.000 2.483 33 V HA 0.462 4.582 4.120 0.000 0.000 0.297 33 V C -0.580 175.725 176.094 0.353 0.000 1.027 33 V CA -0.479 61.962 62.300 0.235 0.000 0.855 33 V CB 1.640 33.604 31.823 0.235 0.000 0.995 33 V HN 0.657 nan 8.190 nan 0.000 0.424 34 F N 4.722 124.749 119.950 0.128 0.000 2.404 34 F HA 0.709 5.236 4.527 0.000 0.000 0.345 34 F C 0.261 176.089 175.800 0.047 0.000 1.110 34 F CA -0.864 57.177 58.000 0.068 0.000 1.130 34 F CB 1.914 40.938 39.000 0.041 0.000 1.129 34 F HN 0.440 nan 8.300 nan 0.000 0.500 35 V N 0.663 120.696 119.914 0.198 0.000 3.114 35 V HA 1.076 5.197 4.120 0.000 0.000 0.308 35 V C -0.589 175.484 176.094 -0.035 0.000 1.168 35 V CA -0.607 61.760 62.300 0.111 0.000 1.015 35 V CB 1.441 33.413 31.823 0.247 0.000 1.050 35 V HN 1.017 nan 8.190 nan 0.000 0.433 36 G N 1.440 110.168 108.800 -0.121 0.000 2.328 36 G HA2 0.515 4.475 3.960 0.000 0.000 0.299 36 G HA3 0.515 4.475 3.960 0.000 0.000 0.299 36 G C -3.584 171.272 174.900 -0.073 0.000 1.435 36 G CA -0.199 44.628 45.100 -0.455 0.000 0.865 36 G HN 0.810 nan 8.290 nan 0.000 0.601 37 P HA 0.177 nan 4.420 nan 0.000 0.272 37 P C 1.487 178.936 177.300 0.250 0.000 1.230 37 P CA 0.710 63.993 63.100 0.304 0.000 0.788 37 P CB 1.462 33.323 31.700 0.268 0.000 0.949 38 S N 2.172 118.022 115.700 0.249 0.000 2.445 38 S HA -0.255 4.216 4.470 0.000 0.000 0.293 38 S C 1.639 176.307 174.600 0.114 0.000 1.163 38 S CA 1.841 60.129 58.200 0.147 0.000 1.287 38 S CB -2.204 61.033 63.200 0.061 0.000 1.234 38 S HN 0.734 nan 8.310 nan 0.000 0.446 39 G N 0.092 108.937 108.800 0.075 0.000 3.882 39 G HA2 0.372 4.332 3.960 0.000 0.000 0.283 39 G HA3 0.372 4.332 3.960 0.000 0.000 0.283 39 G C 0.910 175.821 174.900 0.019 0.000 1.283 39 G CA 0.099 45.230 45.100 0.051 0.000 1.402 39 G HN 0.952 nan 8.290 nan 0.000 0.618 40 C N -2.526 116.781 119.300 0.011 0.000 2.590 40 C HA 0.548 5.008 4.460 0.000 0.000 0.272 40 C C 2.108 177.057 174.990 -0.067 0.000 1.338 40 C CA 0.522 59.506 59.018 -0.057 0.000 1.746 40 C CB -0.327 27.361 27.740 -0.086 0.000 2.020 40 C HN 1.057 nan 8.230 nan 0.000 0.531 41 G N 1.879 110.668 108.800 -0.020 0.000 2.184 41 G HA2 -0.288 3.672 3.960 0.000 0.000 0.206 41 G HA3 -0.288 3.672 3.960 0.000 0.000 0.206 41 G C 0.908 175.793 174.900 -0.026 0.000 0.995 41 G CA 0.536 45.618 45.100 -0.030 0.000 0.651 41 G HN 0.744 nan 8.290 nan 0.000 0.511 42 K N 0.447 120.837 120.400 -0.016 0.000 2.127 42 K HA -0.044 4.276 4.320 0.000 0.000 0.208 42 K C 2.151 178.846 176.600 0.159 0.000 1.047 42 K CA 2.180 58.488 56.287 0.034 0.000 0.927 42 K CB -0.393 32.155 32.500 0.080 0.000 0.716 42 K HN 0.265 nan 8.250 nan 0.000 0.450 43 S N 0.266 116.038 115.700 0.121 0.000 2.425 43 S HA -0.025 4.445 4.470 0.000 0.000 0.225 43 S C 1.808 176.470 174.600 0.104 0.000 1.024 43 S CA 1.131 59.404 58.200 0.122 0.000 0.951 43 S CB -0.128 63.125 63.200 0.088 0.000 0.796 43 S HN 0.449 nan 8.310 nan 0.000 0.498 44 T N 2.858 117.460 114.554 0.080 0.000 2.746 44 T HA 0.014 4.364 4.350 0.000 0.000 0.267 44 T C 1.708 176.436 174.700 0.047 0.000 1.039 44 T CA 0.801 62.938 62.100 0.062 0.000 1.142 44 T CB -0.331 68.552 68.868 0.025 0.000 0.866 44 T HN 0.220 nan 8.240 nan 0.000 0.444 45 L N 0.348 121.598 121.223 0.046 0.000 2.017 45 L HA -0.061 4.279 4.340 0.000 0.000 0.208 45 L C 2.401 179.380 176.870 0.181 0.000 1.073 45 L CA 1.186 56.066 54.840 0.067 0.000 0.745 45 L CB -0.358 41.694 42.059 -0.011 0.000 0.894 45 L HN 0.253 nan 8.230 nan 0.000 0.432 46 L N -0.248 121.129 121.223 0.257 0.000 2.191 46 L HA -0.205 4.135 4.340 0.000 0.000 0.212 46 L C 2.592 179.537 176.870 0.126 0.000 1.103 46 L CA 1.596 56.560 54.840 0.207 0.000 0.769 46 L CB -0.447 41.706 42.059 0.156 0.000 0.908 46 L HN 0.114 nan 8.230 nan 0.000 0.438 47 R N -1.725 118.842 120.500 0.111 0.000 2.127 47 R HA 0.019 4.360 4.340 0.000 0.000 0.217 47 R C 2.176 178.516 176.300 0.067 0.000 1.074 47 R CA 1.234 57.388 56.100 0.090 0.000 0.991 47 R CB -0.184 30.166 30.300 0.084 0.000 0.895 47 R HN 0.387 nan 8.270 nan 0.000 0.450 48 M N 0.253 119.885 119.600 0.052 0.000 2.117 48 M HA -0.159 4.321 4.480 0.000 0.000 0.262 48 M C 2.170 178.487 176.300 0.028 0.000 1.065 48 M CA 1.643 56.956 55.300 0.022 0.000 1.114 48 M CB -0.215 32.380 32.600 -0.007 0.000 1.361 48 M HN 0.128 nan 8.290 nan 0.000 0.408 49 I N 0.187 120.789 120.570 0.054 0.000 2.142 49 I HA -0.258 3.912 4.170 0.000 0.000 0.240 49 I C 2.588 178.727 176.117 0.037 0.000 1.078 49 I CA 1.395 62.726 61.300 0.050 0.000 1.343 49 I CB -0.582 37.464 38.000 0.077 0.000 1.046 49 I HN 0.245 nan 8.210 nan 0.000 0.405 50 A N 0.330 123.180 122.820 0.049 0.000 2.125 50 A HA 0.034 4.354 4.320 0.000 0.000 0.219 50 A C 1.812 179.422 177.584 0.042 0.000 1.156 50 A CA 1.187 53.252 52.037 0.047 0.000 0.671 50 A CB -0.905 18.137 19.000 0.071 0.000 0.794 50 A HN 0.715 nan 8.150 nan 0.000 0.459 51 G N -1.684 107.138 108.800 0.037 0.000 2.171 51 G HA2 -0.199 3.762 3.960 0.000 0.000 0.238 51 G HA3 -0.199 3.762 3.960 0.000 0.000 0.238 51 G C 0.431 175.357 174.900 0.044 0.000 1.039 51 G CA 0.344 45.461 45.100 0.029 0.000 0.759 51 G HN 0.496 nan 8.290 nan 0.000 0.501 52 L N -1.182 120.076 121.223 0.058 0.000 2.616 52 L HA 0.349 4.689 4.340 0.000 0.000 0.229 52 L C 0.384 177.297 176.870 0.071 0.000 1.110 52 L CA 0.320 55.202 54.840 0.070 0.000 0.884 52 L CB 0.186 42.299 42.059 0.090 0.000 1.115 52 L HN 0.113 nan 8.230 nan 0.000 0.481 53 E N 0.686 120.922 120.200 0.060 0.000 2.272 53 E HA 0.273 4.623 4.350 0.000 0.000 0.269 53 E C -0.390 176.222 176.600 0.021 0.000 0.877 53 E CA -0.347 56.090 56.400 0.062 0.000 0.755 53 E CB 1.960 31.695 29.700 0.058 0.000 1.192 53 E HN -0.043 nan 8.360 nan 0.000 0.422 54 T N -0.607 113.958 114.554 0.018 0.000 2.919 54 T HA 0.438 4.788 4.350 0.000 0.000 0.302 54 T C 0.794 175.460 174.700 -0.057 0.000 1.031 54 T CA -0.436 61.657 62.100 -0.012 0.000 1.127 54 T CB 0.218 69.088 68.868 0.004 0.000 0.952 54 T HN 0.350 nan 8.240 nan 0.000 0.540 55 I N 4.025 124.560 120.570 -0.057 0.000 2.282 55 I HA 0.125 4.295 4.170 0.000 0.000 0.290 55 I C 1.942 178.013 176.117 -0.075 0.000 1.090 55 I CA -0.644 60.610 61.300 -0.077 0.000 1.231 55 I CB 0.699 38.658 38.000 -0.068 0.000 1.434 55 I HN 0.990 nan 8.210 nan 0.000 0.487 56 T N 0.660 115.157 114.554 -0.095 0.000 2.996 56 T HA -0.084 4.266 4.350 0.000 0.000 0.271 56 T C 0.710 175.373 174.700 -0.061 0.000 1.126 56 T CA 0.757 62.812 62.100 -0.076 0.000 1.103 56 T CB 0.034 68.846 68.868 -0.092 0.000 0.870 56 T HN 0.531 nan 8.240 nan 0.000 0.528 57 S N -1.577 114.085 115.700 -0.064 0.000 2.595 57 S HA 0.552 5.023 4.470 0.000 0.000 0.270 57 S C -0.100 174.473 174.600 -0.045 0.000 1.145 57 S CA 0.232 58.402 58.200 -0.049 0.000 0.825 57 S CB 1.021 64.193 63.200 -0.046 0.000 1.107 57 S HN 1.673 nan 8.310 nan 0.000 0.461 58 G N 2.266 111.049 108.800 -0.029 0.000 2.829 58 G HA2 -0.035 3.925 3.960 0.000 0.000 0.628 58 G HA3 -0.035 3.925 3.960 0.000 0.000 0.628 58 G C -1.342 173.541 174.900 -0.028 0.000 1.412 58 G CA -0.038 45.054 45.100 -0.014 0.000 0.864 58 G HN 0.821 nan 8.290 nan 0.000 0.544 59 D N -0.748 119.653 120.400 0.001 0.000 2.268 59 D HA 0.634 5.274 4.640 0.000 0.000 0.249 59 D C -0.117 176.120 176.300 -0.105 0.000 1.008 59 D CA -0.104 53.849 54.000 -0.078 0.000 0.939 59 D CB 1.925 42.783 40.800 0.098 0.000 1.170 59 D HN 0.747 nan 8.370 nan 0.000 0.468 60 L N 1.882 122.907 121.223 -0.330 0.000 2.518 60 L HA 0.422 4.762 4.340 0.000 0.000 0.262 60 L C -1.966 174.693 176.870 -0.352 0.000 0.982 60 L CA -0.425 54.299 54.840 -0.193 0.000 0.873 60 L CB 0.533 42.518 42.059 -0.124 0.000 1.198 60 L HN 0.107 nan 8.230 nan 0.000 0.427 61 F N 5.233 125.195 119.950 0.020 0.000 2.425 61 F HA 0.692 5.219 4.527 0.000 0.000 0.331 61 F C 0.203 176.017 175.800 0.025 0.000 1.085 61 F CA -0.525 57.488 58.000 0.021 0.000 1.028 61 F CB 1.781 40.795 39.000 0.023 0.000 1.177 61 F HN 0.227 nan 8.300 nan 0.000 0.487 62 I N 1.967 122.645 120.570 0.180 0.000 2.531 62 I HA 0.370 4.540 4.170 0.000 0.000 0.283 62 I C 0.422 176.602 176.117 0.106 0.000 1.083 62 I CA -0.396 60.972 61.300 0.113 0.000 1.071 62 I CB 1.567 39.601 38.000 0.056 0.000 1.210 62 I HN 0.833 nan 8.210 nan 0.000 0.450 63 G N 4.309 113.170 108.800 0.102 0.000 2.225 63 G HA2 -0.263 3.697 3.960 0.000 0.000 0.254 63 G HA3 -0.263 3.697 3.960 0.000 0.000 0.254 63 G C 0.237 175.190 174.900 0.087 0.000 0.988 63 G CA 0.262 45.409 45.100 0.079 0.000 0.625 63 G HN 0.738 nan 8.290 nan 0.000 0.527 64 E N -1.600 118.683 120.200 0.139 0.000 2.631 64 E HA -0.066 4.284 4.350 0.000 0.000 0.228 64 E C -0.531 176.184 176.600 0.191 0.000 1.220 64 E CA 0.767 57.253 56.400 0.142 0.000 0.756 64 E CB -1.156 28.567 29.700 0.039 0.000 1.168 64 E HN 0.543 nan 8.360 nan 0.000 0.426 65 K N 1.111 121.698 120.400 0.312 0.000 2.690 65 K HA 0.170 4.490 4.320 0.000 0.000 0.305 65 K C -0.684 176.010 176.600 0.156 0.000 1.200 65 K CA -0.527 55.901 56.287 0.234 0.000 1.071 65 K CB 1.079 33.645 32.500 0.110 0.000 1.366 65 K HN 0.212 nan 8.250 nan 0.000 0.513 66 R N 3.645 124.196 120.500 0.084 0.000 2.730 66 R HA -0.108 4.232 4.340 0.000 0.000 0.327 66 R C 0.193 176.347 176.300 -0.242 0.000 0.825 66 R CA 0.702 56.497 56.100 -0.509 0.000 1.130 66 R CB 0.356 30.402 30.300 -0.423 0.000 0.883 66 R HN 0.522 nan 8.270 nan 0.000 0.407 67 M N 3.049 122.502 119.600 -0.246 0.000 2.383 67 M HA 0.001 4.481 4.480 0.000 0.000 0.247 67 M C 0.978 177.209 176.300 -0.115 0.000 1.117 67 M CA 0.277 55.505 55.300 -0.120 0.000 0.995 67 M CB -0.485 32.074 32.600 -0.067 0.000 1.480 67 M HN 0.601 nan 8.290 nan 0.000 0.485 68 N N 1.668 120.270 118.700 -0.164 0.000 2.021 68 N HA -0.179 4.562 4.740 0.000 0.000 0.198 68 N C 0.153 175.621 175.510 -0.070 0.000 1.041 68 N CA 1.596 54.575 53.050 -0.119 0.000 0.862 68 N CB 0.013 38.418 38.487 -0.136 0.000 1.048 68 N HN 0.430 nan 8.380 nan 0.000 0.427 69 D N 0.527 120.890 120.400 -0.062 0.000 2.491 69 D HA 0.088 4.728 4.640 0.000 0.000 0.228 69 D C -0.237 176.048 176.300 -0.025 0.000 1.183 69 D CA 0.188 54.166 54.000 -0.036 0.000 0.827 69 D CB 0.262 41.044 40.800 -0.031 0.000 0.989 69 D HN 0.078 nan 8.370 nan 0.000 0.494 70 T N 2.096 116.634 114.554 -0.027 0.000 2.845 70 T HA 0.304 4.654 4.350 0.000 0.000 0.288 70 T C -2.363 172.335 174.700 -0.004 0.000 0.980 70 T CA -1.395 60.696 62.100 -0.016 0.000 1.071 70 T CB 1.700 70.557 68.868 -0.019 0.000 0.941 70 T HN -0.124 nan 8.240 nan 0.000 0.487 71 P HA 0.106 nan 4.420 nan 0.000 0.266 71 P C -1.850 175.459 177.300 0.016 0.000 1.195 71 P CA -1.155 61.952 63.100 0.012 0.000 0.768 71 P CB 0.147 31.855 31.700 0.014 0.000 0.838 72 P HA -0.258 nan 4.420 nan 0.000 0.216 72 P C 1.006 178.324 177.300 0.031 0.000 1.154 72 P CA 2.050 65.170 63.100 0.034 0.000 0.865 72 P CB -0.301 31.430 31.700 0.051 0.000 0.789 73 A N -0.312 122.529 122.820 0.035 0.000 2.239 73 A HA -0.108 4.212 4.320 0.000 0.000 0.209 73 A C 1.200 178.791 177.584 0.012 0.000 1.171 73 A CA 0.836 52.891 52.037 0.031 0.000 0.768 73 A CB -0.989 18.036 19.000 0.041 0.000 0.790 73 A HN 0.416 nan 8.150 nan 0.000 0.478 74 E N -1.420 118.785 120.200 0.008 0.000 3.105 74 E HA 0.262 4.612 4.350 0.000 0.000 0.198 74 E C 0.356 176.954 176.600 -0.003 0.000 0.976 74 E CA -0.439 55.960 56.400 -0.001 0.000 1.219 74 E CB 0.085 29.785 29.700 0.000 0.000 1.081 74 E HN 0.412 nan 8.360 nan 0.000 0.464 75 R N 0.325 120.823 120.500 -0.004 0.000 2.362 75 R HA 0.191 4.532 4.340 0.000 0.000 0.227 75 R C 0.877 177.171 176.300 -0.011 0.000 0.905 75 R CA 0.522 56.619 56.100 -0.005 0.000 1.067 75 R CB 0.857 31.155 30.300 -0.002 0.000 1.078 75 R HN 0.349 nan 8.270 nan 0.000 0.516 76 G N 1.486 110.273 108.800 -0.022 0.000 2.212 76 G HA2 -0.237 3.723 3.960 0.000 0.000 0.255 76 G HA3 -0.237 3.723 3.960 0.000 0.000 0.255 76 G C -0.058 174.804 174.900 -0.064 0.000 1.062 76 G CA 0.326 45.402 45.100 -0.040 0.000 0.815 76 G HN 0.267 nan 8.290 nan 0.000 0.497 77 V N -2.281 117.595 119.914 -0.062 0.000 2.864 77 V HA 1.037 5.157 4.120 0.000 0.000 0.314 77 V C 0.587 176.616 176.094 -0.109 0.000 1.073 77 V CA -0.188 62.062 62.300 -0.083 0.000 0.956 77 V CB 2.099 33.900 31.823 -0.036 0.000 1.023 77 V HN 1.324 nan 8.190 nan 0.000 0.435 78 G N 2.443 111.140 108.800 -0.170 0.000 2.441 78 G HA2 0.756 4.717 3.960 0.000 0.000 0.334 78 G HA3 0.756 4.717 3.960 0.000 0.000 0.334 78 G C -1.083 173.770 174.900 -0.079 0.000 1.161 78 G CA -0.789 44.202 45.100 -0.181 0.000 0.935 78 G HN 1.107 nan 8.290 nan 0.000 0.488 79 M N 0.752 120.305 119.600 -0.079 0.000 2.471 79 M HA 0.690 5.170 4.480 0.000 0.000 0.284 79 M C -1.744 174.418 176.300 -0.230 0.000 1.203 79 M CA -0.634 54.635 55.300 -0.051 0.000 0.915 79 M CB 2.230 34.858 32.600 0.047 0.000 1.734 79 M HN 0.876 nan 8.290 nan 0.000 0.485 80 V N 4.870 124.649 119.914 -0.225 0.000 3.098 80 V HA 0.890 5.010 4.120 0.000 0.000 0.294 80 V C -2.076 173.909 176.094 -0.182 0.000 1.351 80 V CA -0.376 61.621 62.300 -0.505 0.000 0.999 80 V CB 2.262 33.836 31.823 -0.414 0.000 1.104 80 V HN 1.019 nan 8.190 nan 0.000 0.438 81 F N 2.071 122.077 119.950 0.093 0.000 2.923 81 F HA 0.664 5.191 4.527 0.000 0.000 0.323 81 F C 0.538 176.402 175.800 0.107 0.000 1.189 81 F CA -0.783 57.272 58.000 0.091 0.000 0.930 81 F CB 0.184 39.250 39.000 0.111 0.000 1.414 81 F HN 0.487 nan 8.300 nan 0.000 0.496 82 Q N 0.758 120.830 119.800 0.453 0.000 2.576 82 Q HA -0.242 4.098 4.340 0.000 0.000 0.496 82 Q C 0.473 176.624 176.000 0.252 0.000 0.617 82 Q CA 2.489 58.461 55.803 0.282 0.000 0.986 82 Q CB -1.410 27.450 28.738 0.203 0.000 1.433 82 Q HN 0.732 nan 8.270 nan 0.000 0.999 83 S N 0.305 116.161 115.700 0.259 0.000 2.694 83 S HA 0.219 4.689 4.470 0.000 0.000 0.211 83 S C -0.474 174.237 174.600 0.184 0.000 1.328 83 S CA -0.385 57.915 58.200 0.167 0.000 1.236 83 S CB -0.428 62.829 63.200 0.096 0.000 1.121 83 S HN 0.284 nan 8.310 nan 0.000 0.517 84 Y N 2.902 123.225 120.300 0.039 0.000 2.904 84 Y HA 0.077 4.627 4.550 0.000 0.000 0.336 84 Y C 0.693 176.530 175.900 -0.104 0.000 1.263 84 Y CA 0.170 58.189 58.100 -0.135 0.000 1.547 84 Y CB 0.266 38.491 38.460 -0.392 0.000 1.272 84 Y HN 0.514 nan 8.280 nan 0.000 0.596 85 A N 6.596 129.156 122.820 -0.433 0.000 2.309 85 A HA 0.538 4.858 4.320 0.000 0.000 0.298 85 A C -1.202 176.205 177.584 -0.296 0.000 1.165 85 A CA -0.667 51.205 52.037 -0.275 0.000 0.821 85 A CB 0.391 19.234 19.000 -0.262 0.000 1.102 85 A HN 0.621 nan 8.150 nan 0.000 0.500 86 L N 1.438 122.539 121.223 -0.203 0.000 2.375 86 L HA 0.374 4.715 4.340 0.000 0.000 0.268 86 L C -0.539 176.148 176.870 -0.305 0.000 1.058 86 L CA -0.305 54.370 54.840 -0.274 0.000 0.803 86 L CB 0.484 42.465 42.059 -0.131 0.000 1.212 86 L HN 0.599 nan 8.230 nan 0.000 0.451 87 Y N 3.263 123.481 120.300 -0.136 0.000 2.637 87 Y HA 0.130 4.680 4.550 0.000 0.000 0.350 87 Y C -1.313 174.532 175.900 -0.091 0.000 1.069 87 Y CA -2.049 55.961 58.100 -0.151 0.000 1.397 87 Y CB -0.295 37.948 38.460 -0.362 0.000 1.163 87 Y HN 0.551 nan 8.280 nan 0.000 0.527 88 P HA -0.278 nan 4.420 nan 0.000 0.218 88 P C 1.311 178.709 177.300 0.164 0.000 1.154 88 P CA 2.257 65.444 63.100 0.146 0.000 0.872 88 P CB 0.113 31.905 31.700 0.154 0.000 0.790 89 H N -2.631 116.471 119.070 0.052 0.000 2.525 89 H HA 0.127 4.683 4.556 0.000 0.000 0.275 89 H C 0.686 176.041 175.328 0.046 0.000 0.984 89 H CA 0.141 56.212 56.048 0.038 0.000 1.264 89 H CB -0.981 28.798 29.762 0.027 0.000 1.432 89 H HN 0.062 nan 8.280 nan 0.000 0.549 90 L N 2.659 123.678 121.223 -0.341 0.000 2.418 90 L HA 0.150 4.490 4.340 0.000 0.000 0.265 90 L C 0.953 177.789 176.870 -0.057 0.000 1.143 90 L CA -0.180 54.543 54.840 -0.195 0.000 0.809 90 L CB 1.438 43.383 42.059 -0.190 0.000 1.124 90 L HN 0.359 nan 8.230 nan 0.000 0.456 91 S N 1.140 116.827 115.700 -0.022 0.000 2.600 91 S HA 0.210 4.680 4.470 0.000 0.000 0.265 91 S C 1.338 175.936 174.600 -0.003 0.000 1.325 91 S CA -0.583 57.613 58.200 -0.006 0.000 1.002 91 S CB 0.808 64.010 63.200 0.003 0.000 0.921 91 S HN 0.328 nan 8.310 nan 0.000 0.554 92 V N 2.135 122.043 119.914 -0.010 0.000 2.324 92 V HA -0.240 3.881 4.120 0.000 0.000 0.250 92 V C 2.996 179.093 176.094 0.005 0.000 1.060 92 V CA 2.482 64.774 62.300 -0.013 0.000 1.042 92 V CB -1.975 29.829 31.823 -0.030 0.000 0.650 92 V HN 1.006 nan 8.190 nan 0.000 0.450 93 A N -0.464 122.361 122.820 0.009 0.000 1.877 93 A HA -0.247 4.074 4.320 0.000 0.000 0.216 93 A C 2.170 179.780 177.584 0.043 0.000 1.186 93 A CA 1.969 54.019 52.037 0.022 0.000 0.620 93 A CB -0.505 18.506 19.000 0.018 0.000 0.822 93 A HN 0.575 nan 8.150 nan 0.000 0.443 94 E N 0.562 120.789 120.200 0.045 0.000 2.038 94 E HA -0.132 4.218 4.350 0.000 0.000 0.195 94 E C 0.320 177.005 176.600 0.141 0.000 1.000 94 E CA 1.108 57.556 56.400 0.080 0.000 0.803 94 E CB -0.228 29.501 29.700 0.049 0.000 0.750 94 E HN 0.704 nan 8.360 nan 0.000 0.448 95 N N -0.072 118.690 118.700 0.103 0.000 2.415 95 N HA 0.052 4.793 4.740 0.000 0.000 0.248 95 N C 0.322 175.888 175.510 0.093 0.000 1.271 95 N CA 0.677 53.795 53.050 0.115 0.000 0.913 95 N CB 0.383 38.883 38.487 0.020 0.000 1.129 95 N HN 0.147 nan 8.380 nan 0.000 0.444 96 M N -0.615 119.041 119.600 0.093 0.000 2.939 96 M HA -0.332 4.148 4.480 0.000 0.000 0.194 96 M C -0.079 176.267 176.300 0.077 0.000 0.617 96 M CA 1.442 56.778 55.300 0.061 0.000 0.734 96 M CB -1.466 31.152 32.600 0.030 0.000 2.637 96 M HN 0.688 nan 8.290 nan 0.000 0.316 97 S N -1.427 114.346 115.700 0.121 0.000 2.612 97 S HA 0.136 4.606 4.470 0.000 0.000 0.278 97 S C 0.796 175.465 174.600 0.115 0.000 1.082 97 S CA 0.134 58.389 58.200 0.093 0.000 1.185 97 S CB -0.474 62.769 63.200 0.071 0.000 1.077 97 S HN 0.563 nan 8.310 nan 0.000 0.585 98 F N 3.686 123.659 119.950 0.039 0.000 2.120 98 F HA 0.074 4.601 4.527 0.000 0.000 0.300 98 F C 2.321 178.146 175.800 0.042 0.000 1.095 98 F CA 2.008 60.041 58.000 0.055 0.000 1.249 98 F CB -0.841 38.252 39.000 0.155 0.000 0.995 98 F HN 0.350 nan 8.300 nan 0.000 0.480 99 G N 0.569 109.493 108.800 0.208 0.000 2.514 99 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 99 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 99 G C 1.809 176.685 174.900 -0.041 0.000 1.198 99 G CA 1.151 46.305 45.100 0.090 0.000 0.780 99 G HN 0.442 nan 8.290 nan 0.000 0.565 100 L N -0.100 121.103 121.223 -0.033 0.000 2.056 100 L HA 0.023 4.363 4.340 0.000 0.000 0.207 100 L C 2.829 179.644 176.870 -0.092 0.000 1.078 100 L CA 0.965 55.774 54.840 -0.052 0.000 0.749 100 L CB -0.260 41.783 42.059 -0.025 0.000 0.901 100 L HN 0.196 nan 8.230 nan 0.000 0.433 101 K N 0.173 120.499 120.400 -0.122 0.000 2.520 101 K HA -0.157 4.163 4.320 0.000 0.000 0.198 101 K C 0.963 177.441 176.600 -0.203 0.000 1.045 101 K CA 0.609 56.798 56.287 -0.163 0.000 0.934 101 K CB -0.183 32.191 32.500 -0.211 0.000 0.766 101 K HN 0.374 nan 8.250 nan 0.000 0.483 102 L N 0.248 121.352 121.223 -0.199 0.000 2.955 102 L HA 0.050 4.390 4.340 0.000 0.000 0.238 102 L C 0.759 177.568 176.870 -0.102 0.000 1.359 102 L CA 0.104 54.842 54.840 -0.169 0.000 1.214 102 L CB -0.316 41.656 42.059 -0.145 0.000 1.600 102 L HN 0.207 nan 8.230 nan 0.000 0.442 103 A N -1.070 121.695 122.820 -0.091 0.000 3.256 103 A HA -0.009 4.311 4.320 0.000 0.000 0.199 103 A C 1.049 178.601 177.584 -0.053 0.000 1.504 103 A CA -0.020 51.980 52.037 -0.062 0.000 2.066 103 A CB -1.393 17.577 19.000 -0.051 0.000 0.453 103 A HN 0.547 nan 8.150 nan 0.000 0.535 104 G N 0.534 109.299 108.800 -0.058 0.000 2.941 104 G HA2 0.294 4.254 3.960 0.000 0.000 0.316 104 G HA3 0.294 4.254 3.960 0.000 0.000 0.316 104 G C 0.654 175.534 174.900 -0.033 0.000 0.221 104 G CA 0.640 45.713 45.100 -0.045 0.000 1.224 104 G HN 2.156 nan 8.290 nan 0.000 0.282 105 A N 3.611 126.417 122.820 -0.024 0.000 3.105 105 A HA 0.528 4.848 4.320 0.000 0.000 0.272 105 A C 1.013 178.588 177.584 -0.014 0.000 1.466 105 A CA 0.785 52.811 52.037 -0.017 0.000 1.101 105 A CB -0.287 18.705 19.000 -0.012 0.000 1.065 105 A HN 1.044 nan 8.150 nan 0.000 0.643 106 K N -1.174 119.216 120.400 -0.017 0.000 3.856 106 K HA -0.147 4.173 4.320 0.000 0.000 0.880 106 K C 0.512 177.106 176.600 -0.010 0.000 2.332 106 K CA 0.976 57.256 56.287 -0.013 0.000 1.426 106 K CB -0.907 31.588 32.500 -0.009 0.000 2.671 106 K HN 0.491 nan 8.250 nan 0.000 0.198 107 K N 1.434 121.830 120.400 -0.006 0.000 1.980 107 K HA -0.282 4.038 4.320 0.000 0.000 0.231 107 K C 1.805 178.405 176.600 0.000 0.000 1.018 107 K CA 2.238 58.524 56.287 -0.002 0.000 1.063 107 K CB -0.341 32.159 32.500 -0.000 0.000 0.731 107 K HN 0.612 nan 8.250 nan 0.000 0.456 108 E N 0.881 121.082 120.200 0.002 0.000 2.136 108 E HA -0.241 4.109 4.350 0.000 0.000 0.208 108 E C 1.802 178.404 176.600 0.004 0.000 1.035 108 E CA 2.110 58.513 56.400 0.004 0.000 0.838 108 E CB -0.471 29.231 29.700 0.004 0.000 0.748 108 E HN 0.339 nan 8.360 nan 0.000 0.459 109 V N -0.973 118.942 119.914 0.001 0.000 2.380 109 V HA -0.267 3.853 4.120 0.000 0.000 0.251 109 V C 2.234 178.330 176.094 0.004 0.000 1.063 109 V CA 2.178 64.479 62.300 0.002 0.000 1.055 109 V CB -0.579 31.242 31.823 -0.002 0.000 0.657 109 V HN 0.327 nan 8.190 nan 0.000 0.455 110 I N 0.408 120.979 120.570 0.002 0.000 2.272 110 I HA -0.067 4.104 4.170 0.000 0.000 0.235 110 I C 2.510 178.634 176.117 0.011 0.000 1.071 110 I CA 1.765 63.068 61.300 0.005 0.000 1.374 110 I CB -0.634 37.366 38.000 -0.000 0.000 1.121 110 I HN 0.323 nan 8.210 nan 0.000 0.420 111 N N 0.702 119.408 118.700 0.010 0.000 2.396 111 N HA -0.288 4.452 4.740 0.000 0.000 0.191 111 N C 1.649 177.167 175.510 0.014 0.000 1.015 111 N CA 1.608 54.666 53.050 0.013 0.000 0.893 111 N CB 0.008 38.501 38.487 0.010 0.000 0.956 111 N HN 0.480 nan 8.380 nan 0.000 0.445 112 Q N -0.484 119.324 119.800 0.013 0.000 2.226 112 Q HA 0.111 4.451 4.340 0.000 0.000 0.199 112 Q C 1.819 177.830 176.000 0.019 0.000 0.945 112 Q CA 0.783 56.595 55.803 0.015 0.000 0.861 112 Q CB -0.223 28.523 28.738 0.013 0.000 0.953 112 Q HN 0.172 nan 8.270 nan 0.000 0.490 113 R N 0.476 120.988 120.500 0.020 0.000 2.062 113 R HA -0.020 4.320 4.340 0.000 0.000 0.231 113 R C 2.290 178.607 176.300 0.028 0.000 1.136 113 R CA 1.531 57.647 56.100 0.026 0.000 0.948 113 R CB -0.708 29.609 30.300 0.028 0.000 0.845 113 R HN 0.154 nan 8.270 nan 0.000 0.430 114 V N 2.164 122.094 119.914 0.026 0.000 2.660 114 V HA -0.256 3.864 4.120 0.000 0.000 0.257 114 V C 1.748 177.858 176.094 0.026 0.000 1.088 114 V CA 1.588 63.904 62.300 0.028 0.000 1.106 114 V CB -0.603 31.235 31.823 0.026 0.000 0.686 114 V HN 0.383 nan 8.190 nan 0.000 0.481 115 N N -0.903 117.812 118.700 0.025 0.000 2.436 115 N HA -0.063 4.677 4.740 0.000 0.000 0.178 115 N C 1.946 177.472 175.510 0.027 0.000 1.026 115 N CA 0.560 53.626 53.050 0.025 0.000 0.880 115 N CB -0.044 38.456 38.487 0.022 0.000 1.061 115 N HN 0.456 nan 8.380 nan 0.000 0.434 116 Q N 1.673 121.488 119.800 0.025 0.000 2.061 116 Q HA -0.076 4.264 4.340 0.000 0.000 0.204 116 Q C 1.789 177.806 176.000 0.028 0.000 0.984 116 Q CA 1.476 57.294 55.803 0.025 0.000 0.846 116 Q CB -0.266 28.486 28.738 0.024 0.000 0.902 116 Q HN 0.091 nan 8.270 nan 0.000 0.421 117 V N 1.593 121.526 119.914 0.031 0.000 2.594 117 V HA -0.197 3.923 4.120 0.000 0.000 0.253 117 V C 2.535 178.648 176.094 0.032 0.000 1.069 117 V CA 1.545 63.865 62.300 0.033 0.000 1.082 117 V CB -1.169 30.678 31.823 0.040 0.000 0.680 117 V HN 0.444 nan 8.190 nan 0.000 0.469 118 A N -0.693 122.146 122.820 0.032 0.000 2.066 118 A HA -0.184 4.137 4.320 0.000 0.000 0.218 118 A C 2.269 179.880 177.584 0.046 0.000 1.157 118 A CA 1.630 53.688 52.037 0.034 0.000 0.670 118 A CB -0.272 18.747 19.000 0.032 0.000 0.804 118 A HN 0.600 nan 8.150 nan 0.000 0.453 119 E N -0.130 120.094 120.200 0.040 0.000 2.042 119 E HA -0.097 4.253 4.350 0.000 0.000 0.189 119 E C 2.054 178.675 176.600 0.035 0.000 0.974 119 E CA 1.278 57.702 56.400 0.041 0.000 0.806 119 E CB -0.088 29.631 29.700 0.030 0.000 0.769 119 E HN 0.493 nan 8.360 nan 0.000 0.451 120 V N -0.180 119.751 119.914 0.029 0.000 2.688 120 V HA -0.170 3.950 4.120 0.000 0.000 0.256 120 V C 1.756 177.867 176.094 0.027 0.000 1.084 120 V CA 1.398 63.712 62.300 0.024 0.000 1.103 120 V CB -0.581 31.253 31.823 0.020 0.000 0.688 120 V HN 0.203 nan 8.190 nan 0.000 0.480 121 L N -0.486 120.757 121.223 0.034 0.000 2.607 121 L HA 0.304 4.644 4.340 0.000 0.000 0.228 121 L C 1.157 178.058 176.870 0.052 0.000 1.123 121 L CA 0.160 55.022 54.840 0.036 0.000 0.890 121 L CB -0.527 41.549 42.059 0.029 0.000 1.103 121 L HN 0.398 nan 8.230 nan 0.000 0.468 122 Q N 0.112 119.951 119.800 0.066 0.000 2.468 122 Q HA -0.207 4.133 4.340 0.000 0.000 0.289 122 Q C 0.626 176.733 176.000 0.179 0.000 1.299 122 Q CA 0.410 56.277 55.803 0.107 0.000 0.838 122 Q CB -1.446 27.342 28.738 0.084 0.000 1.195 122 Q HN 0.556 nan 8.270 nan 0.000 0.456 123 L N -2.750 118.548 121.223 0.125 0.000 2.840 123 L HA 0.260 4.601 4.340 0.000 0.000 0.249 123 L C 2.192 179.076 176.870 0.024 0.000 1.119 123 L CA 0.537 55.393 54.840 0.027 0.000 0.930 123 L CB -0.121 41.930 42.059 -0.013 0.000 1.295 123 L HN 0.319 nan 8.230 nan 0.000 0.534 124 A N 1.336 124.233 122.820 0.129 0.000 2.038 124 A HA -0.299 4.022 4.320 0.000 0.000 0.224 124 A C 2.065 179.732 177.584 0.139 0.000 1.190 124 A CA 2.512 54.620 52.037 0.117 0.000 0.668 124 A CB -0.958 18.109 19.000 0.111 0.000 0.820 124 A HN 0.693 nan 8.150 nan 0.000 0.474 125 H N -1.162 117.913 119.070 0.009 0.000 2.529 125 H HA 0.191 4.747 4.556 0.000 0.000 0.277 125 H C 0.690 176.023 175.328 0.009 0.000 0.999 125 H CA 1.023 57.076 56.048 0.009 0.000 1.256 125 H CB -0.556 29.210 29.762 0.008 0.000 1.402 125 H HN 0.553 nan 8.280 nan 0.000 0.566 126 L N -1.455 119.610 121.223 -0.263 0.000 3.168 126 L HA 0.353 4.694 4.340 0.000 0.000 0.277 126 L C 1.166 177.975 176.870 -0.102 0.000 1.308 126 L CA -0.241 54.483 54.840 -0.195 0.000 0.976 126 L CB -0.209 41.669 42.059 -0.302 0.000 1.383 126 L HN -0.092 nan 8.230 nan 0.000 0.572 127 L N -0.416 120.777 121.223 -0.050 0.000 2.093 127 L HA -0.001 4.339 4.340 0.000 0.000 0.208 127 L C 1.070 177.932 176.870 -0.012 0.000 1.085 127 L CA 1.316 56.143 54.840 -0.021 0.000 0.755 127 L CB -0.094 41.965 42.059 0.001 0.000 0.904 127 L HN 0.443 nan 8.230 nan 0.000 0.435 128 D N -0.562 119.833 120.400 -0.008 0.000 2.561 128 D HA 0.088 4.728 4.640 0.000 0.000 0.232 128 D C 0.433 176.729 176.300 -0.006 0.000 1.198 128 D CA 0.090 54.089 54.000 -0.001 0.000 0.826 128 D CB 0.299 41.103 40.800 0.006 0.000 0.992 128 D HN 0.051 nan 8.370 nan 0.000 0.490 129 R N 0.424 120.914 120.500 -0.018 0.000 2.810 129 R HA 0.528 4.868 4.340 0.000 0.000 0.245 129 R C -0.493 175.798 176.300 -0.015 0.000 1.168 129 R CA -0.429 55.659 56.100 -0.020 0.000 1.096 129 R CB 0.957 31.233 30.300 -0.040 0.000 1.259 129 R HN -0.290 nan 8.270 nan 0.000 0.518 130 K N 0.477 120.870 120.400 -0.011 0.000 2.295 130 K HA 0.427 4.747 4.320 0.000 0.000 0.239 130 K C -1.903 174.690 176.600 -0.011 0.000 0.991 130 K CA -2.073 54.211 56.287 -0.006 0.000 0.845 130 K CB 1.571 34.075 32.500 0.007 0.000 1.197 130 K HN 0.337 nan 8.250 nan 0.000 0.441 131 P HA -0.212 nan 4.420 nan 0.000 0.218 131 P C 0.586 177.881 177.300 -0.007 0.000 1.148 131 P CA 1.304 64.396 63.100 -0.013 0.000 0.822 131 P CB 0.440 32.131 31.700 -0.015 0.000 0.784 132 K N 0.945 121.345 120.400 0.001 0.000 2.152 132 K HA -0.076 4.244 4.320 0.000 0.000 0.206 132 K C 2.034 178.635 176.600 0.001 0.000 1.048 132 K CA 1.666 57.955 56.287 0.003 0.000 0.933 132 K CB -1.073 31.433 32.500 0.009 0.000 0.721 132 K HN 0.047 nan 8.250 nan 0.000 0.447 133 A N -0.039 122.779 122.820 -0.003 0.000 2.132 133 A HA 0.206 4.526 4.320 0.000 0.000 0.213 133 A C 0.762 178.340 177.584 -0.009 0.000 1.154 133 A CA 0.025 52.060 52.037 -0.004 0.000 0.753 133 A CB -0.214 18.783 19.000 -0.005 0.000 0.826 133 A HN 0.187 nan 8.150 nan 0.000 0.469 134 L N 0.107 121.321 121.223 -0.016 0.000 2.505 134 L HA 0.279 4.619 4.340 0.000 0.000 0.226 134 L C 1.075 177.941 176.870 -0.007 0.000 1.211 134 L CA -0.117 54.711 54.840 -0.020 0.000 0.828 134 L CB 0.312 42.354 42.059 -0.029 0.000 1.331 134 L HN 0.393 nan 8.230 nan 0.000 0.513 135 S N -1.509 114.189 115.700 -0.003 0.000 2.718 135 S HA 0.395 4.865 4.470 0.000 0.000 0.300 135 S C 0.838 175.442 174.600 0.006 0.000 1.117 135 S CA -0.255 57.948 58.200 0.005 0.000 1.002 135 S CB 1.364 64.571 63.200 0.012 0.000 1.092 135 S HN 0.737 nan 8.310 nan 0.000 0.542 136 G N 0.406 109.212 108.800 0.010 0.000 2.469 136 G HA2 -0.028 3.932 3.960 0.000 0.000 0.219 136 G HA3 -0.028 3.932 3.960 0.000 0.000 0.219 136 G C 1.230 176.140 174.900 0.016 0.000 1.150 136 G CA 0.797 45.904 45.100 0.013 0.000 0.763 136 G HN 1.017 nan 8.290 nan 0.000 0.561 137 G N -0.183 108.628 108.800 0.017 0.000 2.394 137 G HA2 -0.090 3.870 3.960 0.000 0.000 0.215 137 G HA3 -0.090 3.870 3.960 0.000 0.000 0.215 137 G C 1.778 176.687 174.900 0.016 0.000 1.165 137 G CA 0.940 46.052 45.100 0.021 0.000 0.784 137 G HN 0.491 nan 8.290 nan 0.000 0.535 138 Q N -0.017 119.790 119.800 0.011 0.000 2.061 138 Q HA -0.069 4.271 4.340 0.000 0.000 0.204 138 Q C 2.820 178.815 176.000 -0.008 0.000 0.984 138 Q CA 1.078 56.880 55.803 -0.000 0.000 0.846 138 Q CB -0.184 28.546 28.738 -0.014 0.000 0.902 138 Q HN 0.363 nan 8.270 nan 0.000 0.421 139 R N 0.313 120.808 120.500 -0.008 0.000 2.105 139 R HA -0.216 4.124 4.340 0.000 0.000 0.239 139 R C 2.312 178.610 176.300 -0.004 0.000 1.135 139 R CA 1.574 57.668 56.100 -0.011 0.000 0.967 139 R CB -0.197 30.098 30.300 -0.008 0.000 0.861 139 R HN 0.209 nan 8.270 nan 0.000 0.442 140 Q N 0.933 120.738 119.800 0.008 0.000 2.167 140 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 140 Q C 1.767 177.765 176.000 -0.002 0.000 0.970 140 Q CA 1.553 57.364 55.803 0.015 0.000 0.855 140 Q CB 0.052 28.807 28.738 0.030 0.000 0.911 140 Q HN 0.166 nan 8.270 nan 0.000 0.438 141 R N -1.075 119.426 120.500 0.001 0.000 2.090 141 R HA -0.010 4.331 4.340 0.000 0.000 0.228 141 R C 2.199 178.491 176.300 -0.014 0.000 1.110 141 R CA 1.203 57.303 56.100 -0.000 0.000 0.973 141 R CB -0.200 30.107 30.300 0.011 0.000 0.869 141 R HN 0.126 nan 8.270 nan 0.000 0.440 142 V N 0.887 120.790 119.914 -0.019 0.000 2.407 142 V HA -0.238 3.882 4.120 0.000 0.000 0.248 142 V C 2.341 178.406 176.094 -0.048 0.000 1.055 142 V CA 1.911 64.195 62.300 -0.027 0.000 1.049 142 V CB -0.694 31.111 31.823 -0.029 0.000 0.662 142 V HN 0.408 nan 8.190 nan 0.000 0.455 143 A N 0.063 122.843 122.820 -0.066 0.000 1.902 143 A HA -0.173 4.148 4.320 0.000 0.000 0.217 143 A C 2.201 179.664 177.584 -0.202 0.000 1.181 143 A CA 1.904 53.852 52.037 -0.148 0.000 0.623 143 A CB -0.512 18.413 19.000 -0.126 0.000 0.818 143 A HN 0.493 nan 8.150 nan 0.000 0.443 144 I N -0.350 120.146 120.570 -0.123 0.000 2.226 144 I HA -0.203 3.967 4.170 0.000 0.000 0.245 144 I C 2.681 178.781 176.117 -0.028 0.000 1.100 144 I CA 1.117 62.369 61.300 -0.081 0.000 1.374 144 I CB -0.611 37.372 38.000 -0.028 0.000 1.057 144 I HN 0.413 nan 8.210 nan 0.000 0.413 145 G N 0.553 109.344 108.800 -0.016 0.000 2.450 145 G HA2 -0.281 3.679 3.960 0.000 0.000 0.220 145 G HA3 -0.281 3.679 3.960 0.000 0.000 0.220 145 G C 1.759 176.670 174.900 0.018 0.000 1.130 145 G CA 0.585 45.693 45.100 0.014 0.000 0.760 145 G HN 0.296 nan 8.290 nan 0.000 0.557 146 R N 0.099 120.591 120.500 -0.014 0.000 2.080 146 R HA -0.121 4.220 4.340 0.000 0.000 0.236 146 R C 2.638 178.943 176.300 0.008 0.000 1.137 146 R CA 2.140 58.242 56.100 0.004 0.000 0.943 146 R CB -0.752 29.533 30.300 -0.025 0.000 0.846 146 R HN 0.360 nan 8.270 nan 0.000 0.431 147 T N 1.779 116.320 114.554 -0.022 0.000 2.788 147 T HA -0.121 4.229 4.350 0.000 0.000 0.268 147 T C 1.935 176.697 174.700 0.103 0.000 1.044 147 T CA 1.376 63.473 62.100 -0.005 0.000 1.139 147 T CB -0.193 68.680 68.868 0.009 0.000 0.867 147 T HN 0.186 nan 8.240 nan 0.000 0.454 148 L N 1.463 122.806 121.223 0.200 0.000 2.017 148 L HA -0.050 4.290 4.340 0.000 0.000 0.208 148 L C 2.787 179.747 176.870 0.149 0.000 1.073 148 L CA 1.157 56.156 54.840 0.265 0.000 0.745 148 L CB -0.879 41.278 42.059 0.164 0.000 0.894 148 L HN 0.270 nan 8.230 nan 0.000 0.432 149 V N -2.500 117.464 119.914 0.083 0.000 3.383 149 V HA 0.012 4.132 4.120 0.000 0.000 0.272 149 V C 1.847 177.961 176.094 0.034 0.000 1.181 149 V CA 1.377 63.710 62.300 0.056 0.000 1.171 149 V CB -0.568 31.280 31.823 0.043 0.000 0.800 149 V HN 0.318 nan 8.190 nan 0.000 0.515 150 A N -0.520 122.311 122.820 0.018 0.000 2.288 150 A HA 0.296 4.616 4.320 0.000 0.000 0.216 150 A C 0.966 178.509 177.584 -0.069 0.000 1.199 150 A CA 0.355 52.373 52.037 -0.032 0.000 0.891 150 A CB -0.297 18.668 19.000 -0.057 0.000 0.923 150 A HN 0.678 nan 8.150 nan 0.000 0.500 151 E N 0.471 120.649 120.200 -0.038 0.000 2.149 151 E HA -0.157 4.193 4.350 0.000 0.000 0.191 151 E C -2.105 174.365 176.600 -0.217 0.000 1.384 151 E CA 0.299 56.676 56.400 -0.038 0.000 0.698 151 E CB -1.445 28.284 29.700 0.047 0.000 1.086 151 E HN 0.600 nan 8.360 nan 0.000 0.338 152 P HA -0.105 nan 4.420 nan 0.000 0.271 152 P C 0.652 177.767 177.300 -0.308 0.000 1.238 152 P CA 0.060 62.922 63.100 -0.397 0.000 0.794 152 P CB 1.109 32.496 31.700 -0.520 0.000 0.959 153 S N -0.478 115.118 115.700 -0.173 0.000 2.402 153 S HA 0.006 4.476 4.470 0.000 0.000 0.229 153 S C 0.679 175.244 174.600 -0.057 0.000 1.021 153 S CA 0.619 58.772 58.200 -0.078 0.000 0.974 153 S CB -0.187 62.987 63.200 -0.043 0.000 0.800 153 S HN 0.322 nan 8.310 nan 0.000 0.484 154 V N 2.016 121.860 119.914 -0.118 0.000 2.569 154 V HA 0.457 4.577 4.120 0.000 0.000 0.301 154 V C -1.316 174.709 176.094 -0.115 0.000 1.044 154 V CA -0.880 61.390 62.300 -0.049 0.000 0.874 154 V CB 1.466 33.275 31.823 -0.023 0.000 1.002 154 V HN 0.273 nan 8.190 nan 0.000 0.424 155 F N 5.049 124.951 119.950 -0.080 0.000 2.396 155 F HA 0.587 5.115 4.527 0.000 0.000 0.343 155 F C 0.231 175.962 175.800 -0.114 0.000 1.104 155 F CA -0.422 57.524 58.000 -0.089 0.000 1.161 155 F CB 1.120 40.058 39.000 -0.102 0.000 1.146 155 F HN 0.171 nan 8.300 nan 0.000 0.522 156 L N 5.385 126.657 121.223 0.082 0.000 2.325 156 L HA 0.566 4.907 4.340 0.000 0.000 0.281 156 L C -0.954 175.933 176.870 0.029 0.000 1.004 156 L CA -0.558 54.291 54.840 0.016 0.000 0.823 156 L CB 1.551 43.619 42.059 0.015 0.000 1.236 156 L HN 0.477 nan 8.230 nan 0.000 0.415 157 L N 3.047 124.261 121.223 -0.016 0.000 2.385 157 L HA 0.528 4.869 4.340 0.000 0.000 0.273 157 L C -1.022 175.762 176.870 -0.143 0.000 0.990 157 L CA -0.516 54.291 54.840 -0.054 0.000 0.821 157 L CB 2.647 44.688 42.059 -0.030 0.000 1.279 157 L HN 0.470 nan 8.230 nan 0.000 0.412 158 D N 2.845 123.211 120.400 -0.056 0.000 2.440 158 D HA 0.121 4.761 4.640 0.000 0.000 0.239 158 D C 0.010 176.280 176.300 -0.050 0.000 1.084 158 D CA -0.423 53.561 54.000 -0.027 0.000 0.843 158 D CB 1.463 42.336 40.800 0.122 0.000 1.097 158 D HN 0.545 nan 8.370 nan 0.000 0.531 159 E N 3.243 123.339 120.200 -0.173 0.000 2.038 159 E HA -0.203 4.147 4.350 0.000 0.000 0.181 159 E C -1.832 174.739 176.600 -0.049 0.000 1.383 159 E CA 0.048 56.382 56.400 -0.110 0.000 0.677 159 E CB -0.226 29.494 29.700 0.033 0.000 1.051 159 E HN 0.376 nan 8.360 nan 0.000 0.317 160 P HA -0.164 nan 4.420 nan 0.000 0.215 160 P C 0.893 178.212 177.300 0.032 0.000 1.153 160 P CA 0.717 63.807 63.100 -0.018 0.000 0.853 160 P CB 0.183 31.867 31.700 -0.026 0.000 0.788 161 L N -1.060 120.194 121.223 0.052 0.000 2.591 161 L HA 0.155 4.495 4.340 0.000 0.000 0.228 161 L C 2.287 179.193 176.870 0.062 0.000 1.133 161 L CA 0.859 55.741 54.840 0.069 0.000 0.880 161 L CB -2.195 39.923 42.059 0.098 0.000 1.033 161 L HN -0.008 nan 8.230 nan 0.000 0.450 162 S N 1.064 116.800 115.700 0.059 0.000 2.381 162 S HA -0.273 4.197 4.470 0.000 0.000 0.230 162 S C 1.404 176.035 174.600 0.052 0.000 1.052 162 S CA 1.639 59.874 58.200 0.060 0.000 1.068 162 S CB -0.292 62.947 63.200 0.065 0.000 0.918 162 S HN 0.553 nan 8.310 nan 0.000 0.448 163 N N 0.989 119.720 118.700 0.053 0.000 3.243 163 N HA 0.344 5.084 4.740 0.000 0.000 0.310 163 N C -1.329 174.204 175.510 0.039 0.000 1.313 163 N CA 0.080 53.157 53.050 0.045 0.000 1.204 163 N CB -0.388 38.129 38.487 0.049 0.000 1.483 163 N HN 0.376 nan 8.380 nan 0.000 0.553 164 L N -0.542 120.703 121.223 0.038 0.000 2.505 164 L HA 0.342 4.682 4.340 0.000 0.000 0.259 164 L C -0.696 176.192 176.870 0.030 0.000 0.952 164 L CA -1.196 53.665 54.840 0.034 0.000 0.840 164 L CB 1.857 43.940 42.059 0.039 0.000 1.358 164 L HN -0.014 nan 8.230 nan 0.000 0.409 165 D N 1.088 121.504 120.400 0.026 0.000 2.455 165 D HA 0.182 4.822 4.640 0.000 0.000 0.241 165 D C 0.908 177.221 176.300 0.021 0.000 1.138 165 D CA 0.546 54.558 54.000 0.021 0.000 0.877 165 D CB 1.882 42.693 40.800 0.019 0.000 1.187 165 D HN 0.670 nan 8.370 nan 0.000 0.451 166 A N 3.376 126.207 122.820 0.018 0.000 1.915 166 A HA -0.263 4.057 4.320 0.000 0.000 0.220 166 A C 2.088 179.680 177.584 0.013 0.000 1.198 166 A CA 2.661 54.707 52.037 0.015 0.000 0.647 166 A CB -0.805 18.201 19.000 0.010 0.000 0.825 166 A HN 0.659 nan 8.150 nan 0.000 0.456 167 A N -0.670 122.156 122.820 0.011 0.000 1.859 167 A HA -0.144 4.176 4.320 0.000 0.000 0.217 167 A C 2.277 179.868 177.584 0.012 0.000 1.198 167 A CA 1.840 53.883 52.037 0.009 0.000 0.629 167 A CB -0.768 18.237 19.000 0.008 0.000 0.830 167 A HN 0.834 nan 8.150 nan 0.000 0.446 168 L N -0.940 120.293 121.223 0.016 0.000 2.156 168 L HA -0.072 4.268 4.340 0.000 0.000 0.208 168 L C 2.558 179.441 176.870 0.023 0.000 1.095 168 L CA 1.792 56.644 54.840 0.020 0.000 0.770 168 L CB -0.259 41.815 42.059 0.025 0.000 0.914 168 L HN 0.487 nan 8.230 nan 0.000 0.439 169 R N -0.726 119.790 120.500 0.025 0.000 2.096 169 R HA -0.178 4.162 4.340 0.000 0.000 0.240 169 R C 1.983 178.298 176.300 0.025 0.000 1.139 169 R CA 2.250 58.369 56.100 0.032 0.000 0.952 169 R CB -0.556 29.766 30.300 0.036 0.000 0.854 169 R HN 0.313 nan 8.270 nan 0.000 0.436 170 V N 1.026 120.948 119.914 0.013 0.000 2.295 170 V HA -0.287 3.833 4.120 0.000 0.000 0.246 170 V C 2.368 178.461 176.094 -0.001 0.000 1.049 170 V CA 2.189 64.490 62.300 0.001 0.000 1.024 170 V CB -0.687 31.133 31.823 -0.004 0.000 0.648 170 V HN 0.474 nan 8.190 nan 0.000 0.447 171 Q N -0.852 118.950 119.800 0.004 0.000 2.096 171 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 171 Q C 2.314 178.318 176.000 0.006 0.000 0.982 171 Q CA 1.545 57.349 55.803 0.003 0.000 0.850 171 Q CB -0.253 28.490 28.738 0.008 0.000 0.901 171 Q HN 0.480 nan 8.270 nan 0.000 0.422 172 M N 0.032 119.642 119.600 0.016 0.000 2.254 172 M HA -0.091 4.389 4.480 0.000 0.000 0.265 172 M C 2.081 178.394 176.300 0.021 0.000 1.066 172 M CA 1.235 56.549 55.300 0.024 0.000 1.123 172 M CB -0.837 31.785 32.600 0.037 0.000 1.388 172 M HN 0.204 nan 8.290 nan 0.000 0.425 173 R N 0.885 121.393 120.500 0.014 0.000 2.105 173 R HA -0.127 4.213 4.340 0.000 0.000 0.239 173 R C 1.895 178.168 176.300 -0.045 0.000 1.135 173 R CA 1.255 57.349 56.100 -0.011 0.000 0.967 173 R CB -0.184 30.104 30.300 -0.021 0.000 0.861 173 R HN 0.315 nan 8.270 nan 0.000 0.442 174 I N 0.856 121.408 120.570 -0.030 0.000 2.146 174 I HA -0.228 3.942 4.170 0.000 0.000 0.231 174 I C 2.235 178.338 176.117 -0.025 0.000 1.063 174 I CA 0.939 62.217 61.300 -0.035 0.000 1.340 174 I CB -0.581 37.405 38.000 -0.023 0.000 1.100 174 I HN 0.133 nan 8.210 nan 0.000 0.403 175 E N 0.911 121.105 120.200 -0.009 0.000 2.245 175 E HA -0.293 4.057 4.350 0.000 0.000 0.217 175 E C 2.088 178.685 176.600 -0.005 0.000 1.069 175 E CA 1.755 58.154 56.400 -0.003 0.000 0.877 175 E CB -0.592 29.112 29.700 0.006 0.000 0.757 175 E HN 0.537 nan 8.360 nan 0.000 0.464 176 I N 0.138 120.705 120.570 -0.004 0.000 2.179 176 I HA -0.256 3.914 4.170 0.000 0.000 0.242 176 I C 2.608 178.735 176.117 0.018 0.000 1.088 176 I CA 1.182 62.482 61.300 -0.001 0.000 1.357 176 I CB -0.264 37.756 38.000 0.034 0.000 1.051 176 I HN 0.070 nan 8.210 nan 0.000 0.409 177 S N 0.643 116.328 115.700 -0.026 0.000 2.382 177 S HA -0.252 4.218 4.470 0.000 0.000 0.228 177 S C 2.235 176.864 174.600 0.049 0.000 1.027 177 S CA 1.606 59.789 58.200 -0.027 0.000 0.991 177 S CB -0.278 62.856 63.200 -0.111 0.000 0.823 177 S HN 0.378 nan 8.310 nan 0.000 0.469 178 R N 0.348 120.856 120.500 0.014 0.000 2.066 178 R HA -0.007 4.333 4.340 0.000 0.000 0.232 178 R C 2.508 178.816 176.300 0.014 0.000 1.131 178 R CA 1.600 57.705 56.100 0.008 0.000 0.955 178 R CB -0.623 29.675 30.300 -0.003 0.000 0.851 178 R HN 0.521 nan 8.270 nan 0.000 0.432 179 L N 0.692 121.922 121.223 0.012 0.000 2.083 179 L HA -0.182 4.158 4.340 0.000 0.000 0.209 179 L C 2.355 179.236 176.870 0.018 0.000 1.083 179 L CA 2.124 56.962 54.840 -0.003 0.000 0.752 179 L CB -0.523 41.505 42.059 -0.051 0.000 0.899 179 L HN 0.355 nan 8.230 nan 0.000 0.433 180 H N -0.462 118.582 119.070 -0.044 0.000 2.518 180 H HA -0.152 4.404 4.556 0.000 0.000 0.289 180 H C 1.991 177.334 175.328 0.026 0.000 1.051 180 H CA 1.850 57.901 56.048 0.005 0.000 1.280 180 H CB 0.128 29.977 29.762 0.144 0.000 1.380 180 H HN 0.307 nan 8.280 nan 0.000 0.566 181 K N -0.461 119.879 120.400 -0.099 0.000 2.141 181 K HA 0.124 4.444 4.320 0.000 0.000 0.202 181 K C 2.380 178.931 176.600 -0.082 0.000 1.045 181 K CA 0.453 56.652 56.287 -0.146 0.000 0.971 181 K CB 0.037 32.491 32.500 -0.077 0.000 0.795 181 K HN 0.082 nan 8.250 nan 0.000 0.459 182 R N 0.309 120.789 120.500 -0.034 0.000 2.122 182 R HA -0.142 4.198 4.340 0.000 0.000 0.236 182 R C 0.016 176.313 176.300 -0.007 0.000 1.129 182 R CA 1.411 57.504 56.100 -0.011 0.000 0.925 182 R CB -0.432 29.872 30.300 0.008 0.000 0.850 182 R HN -0.037 nan 8.270 nan 0.000 0.431 183 L N -1.950 119.281 121.223 0.013 0.000 2.488 183 L HA 0.326 4.666 4.340 0.000 0.000 0.249 183 L C 1.163 178.032 176.870 -0.002 0.000 1.151 183 L CA 0.574 55.437 54.840 0.039 0.000 0.806 183 L CB 1.089 43.216 42.059 0.113 0.000 1.261 183 L HN 0.313 nan 8.230 nan 0.000 0.484 184 G N -0.491 108.324 108.800 0.025 0.000 4.379 184 G HA2 0.293 4.253 3.960 0.000 0.000 0.290 184 G HA3 0.293 4.253 3.960 0.000 0.000 0.290 184 G C 0.070 175.019 174.900 0.081 0.000 1.065 184 G CA -0.447 44.650 45.100 -0.005 0.000 0.833 184 G HN 0.372 nan 8.290 nan 0.000 0.512 185 R N 0.581 121.170 120.500 0.149 0.000 2.490 185 R HA 0.437 4.777 4.340 0.000 0.000 0.278 185 R C 0.111 176.529 176.300 0.198 0.000 1.069 185 R CA -0.371 55.838 56.100 0.183 0.000 1.080 185 R CB 0.563 31.012 30.300 0.249 0.000 1.030 185 R HN 0.082 nan 8.270 nan 0.000 0.491 186 T N 2.975 117.609 114.554 0.133 0.000 2.937 186 T HA 0.089 4.439 4.350 0.000 0.000 0.316 186 T C 0.333 175.039 174.700 0.010 0.000 1.079 186 T CA 0.447 62.588 62.100 0.068 0.000 1.131 186 T CB 0.254 69.150 68.868 0.046 0.000 1.000 186 T HN 0.365 nan 8.240 nan 0.000 0.549 187 M N 3.048 122.528 119.600 -0.199 0.000 2.277 187 M HA 0.430 4.910 4.480 0.000 0.000 0.282 187 M C -1.166 174.824 176.300 -0.517 0.000 1.074 187 M CA -0.449 54.605 55.300 -0.409 0.000 0.954 187 M CB 2.110 34.168 32.600 -0.903 0.000 1.672 187 M HN 0.409 nan 8.290 nan 0.000 0.471 188 I N 2.722 123.092 120.570 -0.335 0.000 2.362 188 I HA 0.427 4.597 4.170 0.000 0.000 0.289 188 I C -1.392 174.579 176.117 -0.243 0.000 0.994 188 I CA -0.806 60.272 61.300 -0.369 0.000 1.158 188 I CB 1.291 39.048 38.000 -0.406 0.000 1.315 188 I HN 0.614 nan 8.210 nan 0.000 0.451 189 Y N 5.704 125.803 120.300 -0.334 0.000 2.446 189 Y HA 0.628 5.178 4.550 0.000 0.000 0.345 189 Y C -0.835 175.022 175.900 -0.071 0.000 0.984 189 Y CA -0.619 57.417 58.100 -0.108 0.000 1.058 189 Y CB 1.919 40.468 38.460 0.149 0.000 1.220 189 Y HN 0.234 nan 8.280 nan 0.000 0.455 190 V N 5.133 124.965 119.914 -0.136 0.000 2.487 190 V HA 0.698 4.818 4.120 0.000 0.000 0.298 190 V C -0.546 175.506 176.094 -0.071 0.000 1.028 190 V CA -0.238 62.056 62.300 -0.010 0.000 0.860 190 V CB 1.637 33.482 31.823 0.036 0.000 0.991 190 V HN 0.933 nan 8.190 nan 0.000 0.427 191 T N -0.141 114.432 114.554 0.032 0.000 2.711 191 T HA 0.478 4.828 4.350 0.000 0.000 0.302 191 T C -0.065 174.589 174.700 -0.078 0.000 1.373 191 T CA -0.587 61.539 62.100 0.044 0.000 1.000 191 T CB 2.125 71.093 68.868 0.166 0.000 1.483 191 T HN 0.516 nan 8.240 nan 0.000 0.499 192 H N -1.088 118.063 119.070 0.134 0.000 3.241 192 H HA 0.253 4.809 4.556 0.000 0.000 0.260 192 H C -0.257 175.124 175.328 0.089 0.000 1.084 192 H CA -0.179 55.949 56.048 0.133 0.000 1.203 192 H CB 0.731 30.559 29.762 0.111 0.000 1.524 192 H HN 0.621 nan 8.280 nan 0.000 0.521 193 D N 2.202 122.701 120.400 0.165 0.000 2.416 193 D HA -0.012 4.628 4.640 0.000 0.000 0.240 193 D C 0.950 177.296 176.300 0.077 0.000 1.250 193 D CA 0.163 54.228 54.000 0.108 0.000 0.967 193 D CB 0.619 41.487 40.800 0.113 0.000 1.059 193 D HN 0.341 nan 8.370 nan 0.000 0.512 194 Q N 1.825 121.647 119.800 0.037 0.000 2.364 194 Q HA -0.074 4.267 4.340 0.000 0.000 0.207 194 Q C 1.854 177.850 176.000 -0.006 0.000 0.970 194 Q CA 0.690 56.500 55.803 0.013 0.000 0.888 194 Q CB 0.503 29.221 28.738 -0.033 0.000 0.951 194 Q HN 0.426 nan 8.270 nan 0.000 0.469 195 V N 0.913 120.820 119.914 -0.012 0.000 2.283 195 V HA -0.246 3.874 4.120 0.000 0.000 0.243 195 V C 2.112 178.181 176.094 -0.040 0.000 1.039 195 V CA 1.908 64.187 62.300 -0.034 0.000 1.016 195 V CB -0.499 31.305 31.823 -0.031 0.000 0.650 195 V HN 0.350 nan 8.190 nan 0.000 0.449 196 E N 0.142 120.333 120.200 -0.016 0.000 2.086 196 E HA -0.298 4.053 4.350 0.000 0.000 0.200 196 E C 2.250 178.800 176.600 -0.083 0.000 1.012 196 E CA 1.656 58.034 56.400 -0.037 0.000 0.812 196 E CB -0.314 29.421 29.700 0.058 0.000 0.743 196 E HN 0.564 nan 8.360 nan 0.000 0.453 197 A N 0.496 123.312 122.820 -0.007 0.000 1.908 197 A HA -0.217 4.103 4.320 0.000 0.000 0.218 197 A C 2.093 179.644 177.584 -0.054 0.000 1.181 197 A CA 1.787 53.824 52.037 0.001 0.000 0.627 197 A CB -0.358 18.687 19.000 0.076 0.000 0.818 197 A HN 0.262 nan 8.150 nan 0.000 0.445 198 M N -0.911 118.655 119.600 -0.057 0.000 2.447 198 M HA -0.016 4.464 4.480 0.000 0.000 0.264 198 M C 1.886 178.119 176.300 -0.112 0.000 1.095 198 M CA 1.424 56.682 55.300 -0.070 0.000 1.125 198 M CB -1.563 30.993 32.600 -0.074 0.000 1.389 198 M HN 0.378 nan 8.290 nan 0.000 0.459 199 T N 0.854 115.323 114.554 -0.143 0.000 2.978 199 T HA 0.114 4.464 4.350 0.000 0.000 0.262 199 T C 1.875 176.417 174.700 -0.264 0.000 1.063 199 T CA 0.856 62.854 62.100 -0.170 0.000 1.140 199 T CB 0.123 68.899 68.868 -0.153 0.000 0.886 199 T HN 0.290 nan 8.240 nan 0.000 0.470 200 L N -0.156 120.827 121.223 -0.400 0.000 2.609 200 L HA 0.479 4.819 4.340 0.000 0.000 0.230 200 L C 1.041 177.429 176.870 -0.804 0.000 1.087 200 L CA -0.309 54.080 54.840 -0.751 0.000 0.874 200 L CB 0.010 41.332 42.059 -1.229 0.000 1.114 200 L HN 0.020 nan 8.230 nan 0.000 0.488 201 A N 0.028 122.608 122.820 -0.401 0.000 2.331 201 A HA 0.234 4.554 4.320 0.000 0.000 0.283 201 A C 0.283 177.839 177.584 -0.047 0.000 1.142 201 A CA -0.387 51.562 52.037 -0.147 0.000 0.812 201 A CB 0.328 19.322 19.000 -0.009 0.000 1.074 201 A HN 0.104 nan 8.150 nan 0.000 0.497 202 D N 0.572 121.000 120.400 0.048 0.000 2.271 202 D HA 0.073 4.714 4.640 0.000 0.000 0.206 202 D C 0.420 176.773 176.300 0.088 0.000 0.967 202 D CA 1.309 55.359 54.000 0.082 0.000 0.867 202 D CB 0.377 41.260 40.800 0.139 0.000 0.960 202 D HN 0.586 nan 8.370 nan 0.000 0.509 203 K N -0.015 120.445 120.400 0.099 0.000 2.532 203 K HA 0.547 4.867 4.320 0.000 0.000 0.265 203 K C -1.701 174.976 176.600 0.128 0.000 0.948 203 K CA -0.552 55.799 56.287 0.105 0.000 0.842 203 K CB 2.281 34.839 32.500 0.096 0.000 1.392 203 K HN -0.216 nan 8.250 nan 0.000 0.436 204 I N 3.126 123.778 120.570 0.136 0.000 2.534 204 I HA 0.242 4.412 4.170 0.000 0.000 0.288 204 I C -1.001 175.219 176.117 0.170 0.000 1.077 204 I CA -1.105 60.295 61.300 0.167 0.000 1.051 204 I CB 2.115 40.202 38.000 0.145 0.000 1.234 204 I HN 0.339 nan 8.210 nan 0.000 0.425 205 V N 7.785 127.826 119.914 0.212 0.000 2.459 205 V HA 0.557 4.678 4.120 0.000 0.000 0.295 205 V C -0.850 175.298 176.094 0.089 0.000 1.029 205 V CA -0.235 62.144 62.300 0.131 0.000 0.874 205 V CB 1.932 33.809 31.823 0.091 0.000 0.985 205 V HN 0.409 nan 8.190 nan 0.000 0.438 206 V N 8.253 128.204 119.914 0.062 0.000 2.333 206 V HA 0.423 4.543 4.120 0.000 0.000 0.274 206 V C 0.213 176.288 176.094 -0.032 0.000 1.028 206 V CA -0.347 61.981 62.300 0.047 0.000 0.851 206 V CB 1.004 32.906 31.823 0.132 0.000 1.000 206 V HN 0.804 nan 8.190 nan 0.000 0.456 207 L N 4.185 125.335 121.223 -0.121 0.000 2.357 207 L HA 0.617 4.957 4.340 0.000 0.000 0.273 207 L C -0.293 176.428 176.870 -0.249 0.000 1.080 207 L CA -0.197 54.526 54.840 -0.195 0.000 0.803 207 L CB 1.382 43.301 42.059 -0.233 0.000 1.174 207 L HN 0.659 nan 8.230 nan 0.000 0.443 208 D N 2.330 122.516 120.400 -0.358 0.000 2.375 208 D HA 0.483 5.123 4.640 0.000 0.000 0.241 208 D C -0.215 175.849 176.300 -0.393 0.000 1.361 208 D CA 0.059 53.721 54.000 -0.564 0.000 0.995 208 D CB 1.205 41.201 40.800 -1.339 0.000 1.312 208 D HN 0.773 nan 8.370 nan 0.000 0.576 209 A N 2.954 125.620 122.820 -0.256 0.000 2.734 209 A HA 0.208 4.528 4.320 0.000 0.000 0.296 209 A C 1.694 179.181 177.584 -0.161 0.000 1.474 209 A CA 1.440 53.371 52.037 -0.177 0.000 0.735 209 A CB -2.021 16.869 19.000 -0.184 0.000 1.062 209 A HN 1.944 nan 8.150 nan 0.000 0.463 210 G N -1.669 107.037 108.800 -0.156 0.000 2.377 210 G HA2 -0.309 3.651 3.960 0.000 0.000 0.250 210 G HA3 -0.309 3.651 3.960 0.000 0.000 0.250 210 G C 0.473 175.273 174.900 -0.167 0.000 1.039 210 G CA 1.486 46.495 45.100 -0.153 0.000 0.625 210 G HN 1.705 nan 8.290 nan 0.000 0.526 211 R N -0.005 120.386 120.500 -0.180 0.000 2.583 211 R HA 0.627 4.967 4.340 0.000 0.000 0.268 211 R C 0.036 176.226 176.300 -0.183 0.000 1.101 211 R CA -0.095 55.904 56.100 -0.169 0.000 1.180 211 R CB 0.937 31.136 30.300 -0.169 0.000 1.128 211 R HN 0.212 nan 8.270 nan 0.000 0.568 212 V N 3.225 123.052 119.914 -0.144 0.000 2.347 212 V HA 0.348 4.468 4.120 0.000 0.000 0.280 212 V C 0.591 176.633 176.094 -0.087 0.000 1.021 212 V CA 0.088 62.312 62.300 -0.126 0.000 0.847 212 V CB 1.017 32.779 31.823 -0.101 0.000 0.990 212 V HN 1.009 nan 8.190 nan 0.000 0.444 213 A N 4.320 127.099 122.820 -0.068 0.000 1.935 213 A HA 0.182 4.502 4.320 0.000 0.000 0.214 213 A C 0.797 178.419 177.584 0.064 0.000 1.178 213 A CA 0.856 52.893 52.037 -0.000 0.000 0.640 213 A CB 0.160 19.207 19.000 0.078 0.000 0.825 213 A HN 0.787 nan 8.150 nan 0.000 0.447 214 Q N -1.824 118.019 119.800 0.071 0.000 2.594 214 Q HA 0.519 4.859 4.340 0.000 0.000 0.278 214 Q C -2.300 173.750 176.000 0.084 0.000 0.961 214 Q CA -0.542 55.316 55.803 0.090 0.000 0.844 214 Q CB 1.846 30.664 28.738 0.133 0.000 1.475 214 Q HN 0.164 nan 8.270 nan 0.000 0.389 215 V N 1.380 121.346 119.914 0.086 0.000 2.709 215 V HA 1.026 5.146 4.120 0.000 0.000 0.308 215 V C 0.087 176.243 176.094 0.103 0.000 1.062 215 V CA 0.186 62.540 62.300 0.090 0.000 0.901 215 V CB 1.422 33.287 31.823 0.069 0.000 1.003 215 V HN 0.970 nan 8.190 nan 0.000 0.425 216 G N 2.877 111.746 108.800 0.114 0.000 2.428 216 G HA2 0.462 4.422 3.960 0.000 0.000 0.304 216 G HA3 0.462 4.422 3.960 0.000 0.000 0.304 216 G C -1.721 173.250 174.900 0.118 0.000 1.303 216 G CA -0.962 44.209 45.100 0.120 0.000 0.825 216 G HN 0.565 nan 8.290 nan 0.000 0.484 217 K N 0.778 121.251 120.400 0.122 0.000 2.098 217 K HA 0.384 4.704 4.320 0.000 0.000 0.257 217 K C -1.612 175.052 176.600 0.108 0.000 0.999 217 K CA -1.588 54.763 56.287 0.106 0.000 0.924 217 K CB 1.783 34.345 32.500 0.104 0.000 1.028 217 K HN 0.060 nan 8.250 nan 0.000 0.466 218 P HA -0.267 nan 4.420 nan 0.000 0.210 218 P C 1.089 178.432 177.300 0.072 0.000 1.151 218 P CA 1.151 64.285 63.100 0.058 0.000 0.949 218 P CB 0.107 31.812 31.700 0.008 0.000 0.786 219 L N -0.655 120.601 121.223 0.056 0.000 2.263 219 L HA -0.189 4.151 4.340 0.000 0.000 0.216 219 L C 2.171 179.146 176.870 0.176 0.000 1.111 219 L CA 1.711 56.589 54.840 0.063 0.000 0.773 219 L CB -1.502 40.622 42.059 0.109 0.000 0.906 219 L HN 0.073 nan 8.230 nan 0.000 0.439 220 E N -1.146 119.182 120.200 0.214 0.000 2.072 220 E HA -0.173 4.178 4.350 0.000 0.000 0.190 220 E C 2.285 179.052 176.600 0.279 0.000 0.982 220 E CA 0.814 57.395 56.400 0.301 0.000 0.803 220 E CB -0.077 29.766 29.700 0.239 0.000 0.755 220 E HN 0.439 nan 8.360 nan 0.000 0.453 221 L N -0.134 121.211 121.223 0.204 0.000 2.056 221 L HA -0.183 4.157 4.340 0.000 0.000 0.207 221 L C 2.468 179.435 176.870 0.162 0.000 1.078 221 L CA 1.096 56.047 54.840 0.186 0.000 0.749 221 L CB -0.425 41.731 42.059 0.163 0.000 0.901 221 L HN 0.230 nan 8.230 nan 0.000 0.433 222 Y N -0.003 120.282 120.300 -0.024 0.000 2.200 222 Y HA -0.249 4.302 4.550 0.000 0.000 0.290 222 Y C 2.734 178.561 175.900 -0.121 0.000 1.137 222 Y CA 1.721 59.745 58.100 -0.126 0.000 1.163 222 Y CB -0.045 38.248 38.460 -0.277 0.000 0.988 222 Y HN 0.197 nan 8.280 nan 0.000 0.518 223 H N -2.348 116.740 119.070 0.030 0.000 2.525 223 H HA 0.101 4.657 4.556 0.000 0.000 0.275 223 H C -0.377 174.605 175.328 -0.577 0.000 0.984 223 H CA 0.808 56.631 56.048 -0.375 0.000 1.264 223 H CB 0.104 29.447 29.762 -0.699 0.000 1.432 223 H HN 0.329 nan 8.280 nan 0.000 0.549 224 Y N 0.969 121.444 120.300 0.292 0.000 2.512 224 Y HA 0.260 4.811 4.550 0.000 0.000 0.326 224 Y C -2.356 173.674 175.900 0.216 0.000 1.008 224 Y CA -2.802 55.443 58.100 0.241 0.000 1.139 224 Y CB 0.717 39.290 38.460 0.188 0.000 1.137 224 Y HN 0.022 nan 8.280 nan 0.000 0.630 225 P HA 0.141 nan 4.420 nan 0.000 0.272 225 P C 0.516 178.005 177.300 0.314 0.000 1.223 225 P CA 0.287 63.552 63.100 0.275 0.000 0.784 225 P CB 2.040 33.868 31.700 0.213 0.000 0.923 226 A N 2.450 125.425 122.820 0.259 0.000 1.930 226 A HA -0.003 4.317 4.320 0.000 0.000 0.215 226 A C 0.708 178.465 177.584 0.289 0.000 1.176 226 A CA 1.545 53.724 52.037 0.237 0.000 0.632 226 A CB -0.661 18.443 19.000 0.174 0.000 0.819 226 A HN 0.740 nan 8.150 nan 0.000 0.445 227 D N -4.040 116.535 120.400 0.291 0.000 2.732 227 D HA 0.395 5.035 4.640 0.000 0.000 0.292 227 D C 0.599 176.919 176.300 0.033 0.000 1.135 227 D CA -0.764 53.392 54.000 0.261 0.000 1.071 227 D CB 0.487 41.380 40.800 0.155 0.000 1.457 227 D HN -0.102 nan 8.370 nan 0.000 0.547 228 R N -1.186 119.123 120.500 -0.317 0.000 2.081 228 R HA -0.033 4.307 4.340 0.000 0.000 0.235 228 R C 1.936 178.003 176.300 -0.388 0.000 1.131 228 R CA 1.065 56.694 56.100 -0.786 0.000 0.960 228 R CB -0.488 29.381 30.300 -0.717 0.000 0.856 228 R HN 0.437 nan 8.270 nan 0.000 0.436 229 F N 0.624 120.434 119.950 -0.233 0.000 2.043 229 F HA -0.273 4.254 4.527 0.000 0.000 0.297 229 F C 1.911 177.704 175.800 -0.012 0.000 1.121 229 F CA 1.855 59.782 58.000 -0.122 0.000 1.199 229 F CB -0.661 38.282 39.000 -0.095 0.000 0.968 229 F HN -0.204 nan 8.300 nan 0.000 0.478 230 V N 0.652 120.494 119.914 -0.121 0.000 2.407 230 V HA -0.301 3.819 4.120 0.000 0.000 0.248 230 V C 2.740 178.798 176.094 -0.061 0.000 1.055 230 V CA 1.760 64.012 62.300 -0.079 0.000 1.049 230 V CB -1.690 30.213 31.823 0.134 0.000 0.662 230 V HN 0.549 nan 8.190 nan 0.000 0.455 231 A N 0.593 123.388 122.820 -0.041 0.000 1.902 231 A HA -0.086 4.234 4.320 0.000 0.000 0.217 231 A C 2.327 179.901 177.584 -0.017 0.000 1.181 231 A CA 1.906 53.932 52.037 -0.019 0.000 0.623 231 A CB -1.071 17.972 19.000 0.073 0.000 0.818 231 A HN 0.551 nan 8.150 nan 0.000 0.443 232 G N -2.747 106.033 108.800 -0.033 0.000 2.813 232 G HA2 0.068 4.028 3.960 0.000 0.000 0.209 232 G HA3 0.068 4.028 3.960 0.000 0.000 0.209 232 G C 1.148 175.983 174.900 -0.109 0.000 1.150 232 G CA 0.797 45.901 45.100 0.007 0.000 0.785 232 G HN 0.454 nan 8.290 nan 0.000 0.535 233 F N 0.206 119.958 119.950 -0.330 0.000 2.505 233 F HA 0.449 4.976 4.527 0.000 0.000 0.289 233 F C 0.448 176.155 175.800 -0.154 0.000 1.101 233 F CA -0.609 57.196 58.000 -0.324 0.000 1.446 233 F CB 0.448 39.080 39.000 -0.612 0.000 1.123 233 F HN -0.159 nan 8.300 nan 0.000 0.564 234 I N 1.224 121.719 120.570 -0.126 0.000 2.331 234 I HA 0.529 4.699 4.170 0.000 0.000 0.292 234 I C 0.284 176.346 176.117 -0.092 0.000 0.998 234 I CA -0.398 60.844 61.300 -0.096 0.000 1.267 234 I CB 0.639 38.674 38.000 0.058 0.000 1.386 234 I HN 0.292 nan 8.210 nan 0.000 0.476 235 G N 3.787 112.529 108.800 -0.096 0.000 3.069 235 G HA2 0.228 4.188 3.960 0.000 0.000 0.686 235 G HA3 0.228 4.188 3.960 0.000 0.000 0.686 235 G C -0.767 174.068 174.900 -0.107 0.000 1.161 235 G CA -0.416 44.657 45.100 -0.046 0.000 0.804 235 G HN 0.803 nan 8.290 nan 0.000 0.608 236 S N 3.083 118.734 115.700 -0.082 0.000 2.626 236 S HA 0.754 5.225 4.470 0.000 0.000 0.275 236 S C -1.963 172.601 174.600 -0.060 0.000 1.175 236 S CA -0.440 57.709 58.200 -0.086 0.000 0.982 236 S CB 1.378 64.518 63.200 -0.100 0.000 1.093 236 S HN 0.979 nan 8.310 nan 0.000 0.472 237 P HA 0.054 nan 4.420 nan 0.000 0.266 237 P C -0.526 176.721 177.300 -0.087 0.000 1.180 237 P CA -0.070 62.993 63.100 -0.062 0.000 0.765 237 P CB 0.334 32.004 31.700 -0.050 0.000 0.806 238 K N 2.410 122.758 120.400 -0.087 0.000 2.295 238 K HA 0.154 4.474 4.320 0.000 0.000 0.270 238 K C 0.527 177.060 176.600 -0.111 0.000 1.011 238 K CA -0.529 55.708 56.287 -0.084 0.000 0.953 238 K CB 0.408 32.883 32.500 -0.041 0.000 0.956 238 K HN 0.496 nan 8.250 nan 0.000 0.477 239 M N 3.219 122.727 119.600 -0.153 0.000 2.245 239 M HA -0.089 4.391 4.480 0.000 0.000 0.335 239 M C -0.628 175.405 176.300 -0.444 0.000 1.155 239 M CA 0.674 55.764 55.300 -0.351 0.000 1.055 239 M CB 0.242 32.531 32.600 -0.518 0.000 1.670 239 M HN 0.569 nan 8.290 nan 0.000 0.447 240 N N 3.049 121.476 118.700 -0.456 0.000 2.518 240 N HA 0.458 5.199 4.740 0.000 0.000 0.283 240 N C -1.772 173.371 175.510 -0.612 0.000 1.119 240 N CA 0.122 52.976 53.050 -0.326 0.000 0.983 240 N CB 0.711 39.102 38.487 -0.161 0.000 1.139 240 N HN 0.370 nan 8.380 nan 0.000 0.465 241 F N 1.270 121.220 119.950 0.000 0.000 2.529 241 F HA 0.489 5.016 4.527 0.000 0.000 0.320 241 F C -0.469 175.351 175.800 0.033 0.000 1.118 241 F CA -0.743 57.275 58.000 0.030 0.000 0.915 241 F CB 1.173 40.170 39.000 -0.005 0.000 1.161 241 F HN 0.029 nan 8.300 nan 0.000 0.445 242 L N 5.197 126.537 121.223 0.194 0.000 2.362 242 L HA 0.501 4.841 4.340 0.000 0.000 0.275 242 L C -2.519 174.428 176.870 0.128 0.000 0.998 242 L CA -2.150 52.765 54.840 0.124 0.000 0.820 242 L CB 2.342 44.445 42.059 0.073 0.000 1.270 242 L HN 0.308 nan 8.230 nan 0.000 0.415 243 P HA 0.145 nan 4.420 nan 0.000 0.276 243 P C -0.779 176.555 177.300 0.056 0.000 1.264 243 P CA -0.029 63.117 63.100 0.077 0.000 0.769 243 P CB 1.353 33.086 31.700 0.054 0.000 0.840 244 V N 0.777 120.724 119.914 0.055 0.000 3.102 244 V HA 0.684 4.804 4.120 0.000 0.000 0.312 244 V C -0.677 175.426 176.094 0.015 0.000 1.135 244 V CA -1.255 61.062 62.300 0.028 0.000 1.022 244 V CB 2.570 34.406 31.823 0.021 0.000 1.056 244 V HN 0.395 nan 8.190 nan 0.000 0.436 245 K N 1.443 121.838 120.400 -0.008 0.000 2.376 245 K HA 0.661 4.981 4.320 0.000 0.000 0.257 245 K C -0.875 175.698 176.600 -0.046 0.000 0.939 245 K CA -0.727 55.550 56.287 -0.018 0.000 0.809 245 K CB 2.073 34.563 32.500 -0.016 0.000 1.121 245 K HN 1.139 nan 8.250 nan 0.000 0.425 246 V N 4.037 123.922 119.914 -0.049 0.000 2.521 246 V HA 0.122 4.243 4.120 0.000 0.000 0.286 246 V C 0.673 176.709 176.094 -0.096 0.000 1.034 246 V CA 1.012 63.261 62.300 -0.086 0.000 1.045 246 V CB 0.854 32.637 31.823 -0.067 0.000 0.974 246 V HN 1.016 nan 8.190 nan 0.000 0.480 247 T N 2.956 117.419 114.554 -0.151 0.000 2.990 247 T HA 0.669 5.019 4.350 0.000 0.000 0.250 247 T C 0.509 175.120 174.700 -0.149 0.000 1.041 247 T CA 0.407 62.426 62.100 -0.135 0.000 1.010 247 T CB 0.299 69.083 68.868 -0.140 0.000 1.003 247 T HN 1.828 nan 8.240 nan 0.000 0.499 248 A N 1.161 123.838 122.820 -0.238 0.000 2.594 248 A HA 0.662 4.982 4.320 0.000 0.000 0.296 248 A C -0.528 176.949 177.584 -0.177 0.000 1.061 248 A CA -0.608 51.321 52.037 -0.180 0.000 0.689 248 A CB 1.162 20.068 19.000 -0.157 0.000 1.280 248 A HN 0.599 nan 8.150 nan 0.000 0.406 249 T N -0.852 113.725 114.554 0.038 0.000 2.886 249 T HA 0.936 5.286 4.350 0.000 0.000 0.292 249 T C -0.289 174.559 174.700 0.247 0.000 1.012 249 T CA 0.047 62.221 62.100 0.124 0.000 0.982 249 T CB 1.627 70.532 68.868 0.063 0.000 1.018 249 T HN 2.315 nan 8.240 nan 0.000 0.451 250 A N 2.628 125.636 122.820 0.314 0.000 2.564 250 A HA 0.782 5.102 4.320 0.000 0.000 0.288 250 A C -0.247 177.415 177.584 0.130 0.000 1.164 250 A CA -1.270 50.891 52.037 0.206 0.000 0.712 250 A CB 0.902 20.000 19.000 0.163 0.000 1.303 250 A HN 0.998 nan 8.150 nan 0.000 0.418 251 I N 1.800 122.408 120.570 0.064 0.000 2.943 251 I HA -0.090 4.080 4.170 0.000 0.000 0.296 251 I C 0.178 176.326 176.117 0.052 0.000 1.220 251 I CA 1.497 62.823 61.300 0.043 0.000 1.409 251 I CB -0.436 37.573 38.000 0.015 0.000 1.374 251 I HN 0.903 nan 8.210 nan 0.000 0.545 252 D N 3.999 124.434 120.400 0.059 0.000 2.745 252 D HA -0.256 4.385 4.640 0.000 0.000 0.225 252 D C 0.154 176.512 176.300 0.097 0.000 1.212 252 D CA 0.809 54.848 54.000 0.064 0.000 0.632 252 D CB -0.369 40.453 40.800 0.038 0.000 0.994 252 D HN 0.662 nan 8.370 nan 0.000 0.407 253 Q N -0.612 119.289 119.800 0.168 0.000 1.981 253 Q HA 0.479 4.819 4.340 0.000 0.000 0.157 253 Q C -0.193 175.976 176.000 0.281 0.000 0.503 253 Q CA 0.168 56.144 55.803 0.289 0.000 0.695 253 Q CB 1.199 30.210 28.738 0.455 0.000 1.038 253 Q HN 0.344 nan 8.270 nan 0.000 0.388 254 V N 2.115 122.218 119.914 0.314 0.000 3.208 254 V HA -0.165 3.955 4.120 0.000 0.000 0.459 254 V C -0.726 175.205 176.094 -0.273 0.000 0.682 254 V CA 0.272 62.566 62.300 -0.011 0.000 1.994 254 V CB -0.688 31.134 31.823 -0.001 0.000 2.461 254 V HN 0.559 nan 8.190 nan 0.000 0.495 255 Q N 3.978 123.290 119.800 -0.814 0.000 2.290 255 Q HA 0.759 5.100 4.340 0.000 0.000 0.259 255 Q C -0.328 175.358 176.000 -0.523 0.000 0.941 255 Q CA -0.280 54.880 55.803 -1.071 0.000 0.912 255 Q CB 2.139 29.598 28.738 -2.132 0.000 1.244 255 Q HN 1.348 nan 8.270 nan 0.000 0.441 256 V N 0.708 120.422 119.914 -0.334 0.000 3.046 256 V HA 0.659 4.779 4.120 0.000 0.000 0.316 256 V C -1.038 174.966 176.094 -0.149 0.000 1.104 256 V CA -0.864 61.323 62.300 -0.189 0.000 1.006 256 V CB 1.902 33.662 31.823 -0.106 0.000 1.058 256 V HN 0.930 nan 8.190 nan 0.000 0.440 257 E N 2.125 122.269 120.200 -0.095 0.000 2.165 257 E HA 0.517 4.867 4.350 0.000 0.000 0.266 257 E C -0.959 175.622 176.600 -0.033 0.000 0.889 257 E CA -0.777 55.584 56.400 -0.064 0.000 0.756 257 E CB 1.694 31.361 29.700 -0.055 0.000 1.131 257 E HN 0.815 nan 8.360 nan 0.000 0.411 258 L N 5.563 126.773 121.223 -0.022 0.000 2.473 258 L HA 0.129 4.469 4.340 0.000 0.000 0.268 258 L C -1.592 175.278 176.870 0.000 0.000 1.215 258 L CA -1.368 53.469 54.840 -0.005 0.000 0.823 258 L CB 0.236 42.295 42.059 -0.001 0.000 1.099 258 L HN 0.576 nan 8.230 nan 0.000 0.483 259 P HA -0.093 nan 4.420 nan 0.000 0.212 259 P C 0.166 177.472 177.300 0.009 0.000 1.180 259 P CA 0.770 63.877 63.100 0.012 0.000 0.906 259 P CB 0.074 31.786 31.700 0.020 0.000 0.782 260 M N -0.568 119.039 119.600 0.011 0.000 2.156 260 M HA -0.081 4.400 4.480 0.000 0.000 0.324 260 M C -1.929 174.375 176.300 0.006 0.000 0.965 260 M CA 0.079 55.385 55.300 0.009 0.000 0.952 260 M CB -1.633 30.972 32.600 0.009 0.000 1.540 260 M HN -0.088 nan 8.290 nan 0.000 0.446 261 P HA 0.019 nan 4.420 nan 0.000 0.286 261 P C -0.022 177.280 177.300 0.003 0.000 1.278 261 P CA 0.432 63.534 63.100 0.004 0.000 0.785 261 P CB 0.215 31.918 31.700 0.004 0.000 1.269 262 N N -2.916 115.785 118.700 0.002 0.000 2.765 262 N HA -0.308 4.432 4.740 0.000 0.000 0.248 262 N C -0.781 174.730 175.510 0.001 0.000 1.063 262 N CA 1.298 54.349 53.050 0.002 0.000 0.862 262 N CB -2.241 36.247 38.487 0.002 0.000 1.145 262 N HN 0.366 nan 8.380 nan 0.000 0.581 263 R N -0.260 120.239 120.500 -0.001 0.000 2.902 263 R HA -0.273 4.067 4.340 0.000 0.000 0.154 263 R C 0.255 176.550 176.300 -0.007 0.000 0.422 263 R CA 1.146 57.243 56.100 -0.005 0.000 0.570 263 R CB -0.942 29.354 30.300 -0.006 0.000 1.534 263 R HN 0.711 nan 8.270 nan 0.000 0.500 264 Q N 1.918 121.715 119.800 -0.006 0.000 2.354 264 Q HA 0.079 4.419 4.340 0.000 0.000 0.244 264 Q C -0.437 175.552 176.000 -0.019 0.000 0.969 264 Q CA -0.152 55.648 55.803 -0.005 0.000 0.885 264 Q CB 0.851 29.590 28.738 0.001 0.000 1.241 264 Q HN 0.422 nan 8.270 nan 0.000 0.461 265 Q N 1.365 121.153 119.800 -0.020 0.000 2.342 265 Q HA 0.610 4.950 4.340 0.000 0.000 0.267 265 Q C -1.429 174.544 176.000 -0.044 0.000 1.038 265 Q CA -0.841 54.925 55.803 -0.060 0.000 0.832 265 Q CB 2.491 31.182 28.738 -0.079 0.000 1.323 265 Q HN 0.400 nan 8.270 nan 0.000 0.448 266 V N 1.137 120.995 119.914 -0.093 0.000 2.841 266 V HA 0.418 4.538 4.120 0.000 0.000 0.310 266 V C -1.338 174.700 176.094 -0.092 0.000 1.090 266 V CA -0.980 61.305 62.300 -0.025 0.000 0.930 266 V CB 1.687 33.512 31.823 0.002 0.000 1.014 266 V HN 0.709 nan 8.190 nan 0.000 0.425 267 W N 3.952 125.250 121.300 -0.004 0.000 2.365 267 W HA 0.746 5.406 4.660 0.000 0.000 0.316 267 W C -0.412 176.101 176.519 -0.011 0.000 1.164 267 W CA -0.257 57.085 57.345 -0.005 0.000 1.204 267 W CB 1.145 30.602 29.460 -0.004 0.000 1.213 267 W HN 0.315 nan 8.180 nan 0.000 0.539 268 L N 5.158 126.494 121.223 0.190 0.000 2.346 268 L HA 0.436 4.777 4.340 0.000 0.000 0.276 268 L C -2.201 174.743 176.870 0.122 0.000 1.006 268 L CA -2.330 52.572 54.840 0.103 0.000 0.817 268 L CB 1.930 44.005 42.059 0.027 0.000 1.272 268 L HN 0.110 nan 8.230 nan 0.000 0.421 269 P HA 0.117 nan 4.420 nan 0.000 0.247 269 P C -0.907 176.432 177.300 0.065 0.000 1.756 269 P CA -0.115 63.036 63.100 0.085 0.000 1.117 269 P CB 0.298 32.049 31.700 0.085 0.000 1.869 270 V N -0.578 119.374 119.914 0.063 0.000 3.007 270 V HA 0.466 4.586 4.120 0.000 0.000 0.311 270 V C 1.565 177.684 176.094 0.041 0.000 1.120 270 V CA -1.045 61.278 62.300 0.039 0.000 0.980 270 V CB 2.146 33.974 31.823 0.009 0.000 1.033 270 V HN 0.052 nan 8.190 nan 0.000 0.429 271 E N 2.696 122.913 120.200 0.029 0.000 2.301 271 E HA -0.347 4.003 4.350 0.000 0.000 0.224 271 E C 1.536 178.156 176.600 0.034 0.000 1.092 271 E CA 3.026 59.442 56.400 0.026 0.000 0.913 271 E CB -0.430 29.282 29.700 0.021 0.000 0.776 271 E HN 2.113 nan 8.360 nan 0.000 0.465 272 S N -1.925 113.797 115.700 0.036 0.000 3.143 272 S HA -0.429 4.041 4.470 0.000 0.000 0.291 272 S C 0.999 175.620 174.600 0.036 0.000 1.294 272 S CA 1.844 60.070 58.200 0.043 0.000 1.115 272 S CB -1.543 61.697 63.200 0.067 0.000 1.318 272 S HN 0.576 nan 8.310 nan 0.000 0.685 273 R N 1.466 121.984 120.500 0.030 0.000 2.162 273 R HA -0.084 4.256 4.340 0.000 0.000 0.153 273 R C 0.596 176.912 176.300 0.027 0.000 0.733 273 R CA 1.663 57.779 56.100 0.027 0.000 1.357 273 R CB -0.506 29.810 30.300 0.025 0.000 0.576 273 R HN 0.494 nan 8.270 nan 0.000 0.609 274 D N 1.155 121.571 120.400 0.027 0.000 2.545 274 D HA 0.103 4.743 4.640 0.000 0.000 0.227 274 D C -1.426 174.890 176.300 0.026 0.000 1.150 274 D CA 0.116 54.132 54.000 0.026 0.000 1.046 274 D CB 0.027 40.843 40.800 0.027 0.000 1.098 274 D HN 0.112 nan 8.370 nan 0.000 0.502 275 V N 2.838 122.766 119.914 0.023 0.000 2.789 275 V HA 0.461 4.581 4.120 0.000 0.000 0.311 275 V C -1.366 174.736 176.094 0.013 0.000 1.073 275 V CA -0.657 61.654 62.300 0.018 0.000 0.921 275 V CB 2.165 33.997 31.823 0.014 0.000 1.009 275 V HN 0.257 nan 8.190 nan 0.000 0.426 276 Q N 3.241 123.046 119.800 0.009 0.000 2.342 276 Q HA 0.516 4.857 4.340 0.000 0.000 0.267 276 Q C -0.888 175.109 176.000 -0.005 0.000 1.038 276 Q CA -0.579 55.227 55.803 0.005 0.000 0.832 276 Q CB 2.239 30.982 28.738 0.008 0.000 1.323 276 Q HN 0.718 nan 8.270 nan 0.000 0.448 277 V N 1.649 121.559 119.914 -0.006 0.000 2.599 277 V HA 0.205 4.325 4.120 0.000 0.000 0.300 277 V C 1.400 177.486 176.094 -0.013 0.000 1.034 277 V CA 1.767 64.057 62.300 -0.017 0.000 1.115 277 V CB 0.508 32.325 31.823 -0.010 0.000 0.934 277 V HN 1.111 nan 8.190 nan 0.000 0.485 278 G N 3.533 112.321 108.800 -0.021 0.000 2.217 278 G HA2 -0.141 3.819 3.960 0.000 0.000 0.246 278 G HA3 -0.141 3.819 3.960 0.000 0.000 0.246 278 G C 0.519 175.414 174.900 -0.008 0.000 0.990 278 G CA 0.228 45.320 45.100 -0.013 0.000 0.627 278 G HN 1.535 nan 8.290 nan 0.000 0.522 279 A N 0.008 122.824 122.820 -0.006 0.000 2.492 279 A HA 0.503 4.823 4.320 0.000 0.000 0.236 279 A C 0.419 178.006 177.584 0.005 0.000 1.078 279 A CA 0.413 52.452 52.037 0.003 0.000 0.773 279 A CB 0.170 19.174 19.000 0.007 0.000 1.023 279 A HN 0.402 nan 8.150 nan 0.000 0.504 280 N N 1.147 119.856 118.700 0.016 0.000 2.444 280 N HA 0.517 5.258 4.740 0.000 0.000 0.262 280 N C -0.835 174.699 175.510 0.040 0.000 0.974 280 N CA 0.126 53.190 53.050 0.022 0.000 0.933 280 N CB 1.288 39.788 38.487 0.021 0.000 1.137 280 N HN 0.626 nan 8.380 nan 0.000 0.498 281 M N -0.054 119.576 119.600 0.050 0.000 2.727 281 M HA 0.339 4.819 4.480 0.000 0.000 0.300 281 M C -0.081 176.292 176.300 0.122 0.000 1.246 281 M CA -0.823 54.529 55.300 0.087 0.000 0.835 281 M CB 2.143 34.786 32.600 0.071 0.000 1.755 281 M HN 0.181 nan 8.290 nan 0.000 0.473 282 S N 1.617 117.440 115.700 0.206 0.000 2.456 282 S HA 0.608 5.078 4.470 0.000 0.000 0.316 282 S C -1.226 173.609 174.600 0.391 0.000 1.089 282 S CA -0.788 57.588 58.200 0.292 0.000 1.101 282 S CB 0.608 63.997 63.200 0.314 0.000 0.995 282 S HN 0.619 nan 8.310 nan 0.000 0.468 283 L N 5.516 126.906 121.223 0.278 0.000 2.289 283 L HA 0.857 5.197 4.340 0.000 0.000 0.285 283 L C 0.241 177.239 176.870 0.213 0.000 1.049 283 L CA -0.259 54.703 54.840 0.202 0.000 0.804 283 L CB 0.775 42.891 42.059 0.095 0.000 1.195 283 L HN 0.734 nan 8.230 nan 0.000 0.428 284 G N 4.874 113.788 108.800 0.191 0.000 2.452 284 G HA2 0.631 4.591 3.960 0.000 0.000 0.324 284 G HA3 0.631 4.591 3.960 0.000 0.000 0.324 284 G C -1.692 173.204 174.900 -0.005 0.000 1.214 284 G CA -0.441 44.618 45.100 -0.067 0.000 0.947 284 G HN 0.572 nan 8.290 nan 0.000 0.478 285 I N 0.697 121.174 120.570 -0.155 0.000 2.571 285 I HA 0.406 4.576 4.170 0.000 0.000 0.286 285 I C 0.043 176.077 176.117 -0.139 0.000 1.134 285 I CA -0.853 60.420 61.300 -0.044 0.000 1.052 285 I CB 1.583 39.586 38.000 0.006 0.000 1.237 285 I HN 0.519 nan 8.210 nan 0.000 0.435 286 R N 8.044 128.444 120.500 -0.166 0.000 2.623 286 R HA 0.217 4.557 4.340 0.000 0.000 0.271 286 R C -1.589 174.606 176.300 -0.176 0.000 1.043 286 R CA -1.080 54.855 56.100 -0.276 0.000 1.083 286 R CB 0.144 30.134 30.300 -0.516 0.000 0.974 286 R HN 0.434 nan 8.270 nan 0.000 0.436 287 P HA -0.188 nan 4.420 nan 0.000 0.216 287 P C 0.094 177.338 177.300 -0.094 0.000 1.150 287 P CA 1.472 64.524 63.100 -0.080 0.000 0.843 287 P CB 0.219 31.863 31.700 -0.092 0.000 0.787 288 E N -2.022 118.103 120.200 -0.125 0.000 2.516 288 E HA -0.109 4.241 4.350 0.000 0.000 0.199 288 E C 1.457 178.172 176.600 0.192 0.000 1.069 288 E CA 0.693 57.069 56.400 -0.040 0.000 0.876 288 E CB -0.794 28.904 29.700 -0.002 0.000 0.843 288 E HN 0.579 nan 8.360 nan 0.000 0.530 289 H N -0.734 118.355 119.070 0.030 0.000 2.750 289 H HA 0.231 4.787 4.556 0.000 0.000 0.263 289 H C 0.258 175.631 175.328 0.075 0.000 0.964 289 H CA -0.623 55.454 56.048 0.049 0.000 1.205 289 H CB 0.665 30.448 29.762 0.035 0.000 1.454 289 H HN 0.035 nan 8.280 nan 0.000 0.503 290 L N 2.367 123.736 121.223 0.243 0.000 2.506 290 L HA 0.000 4.341 4.340 0.000 0.000 0.281 290 L C -0.084 176.971 176.870 0.309 0.000 1.228 290 L CA 0.220 55.221 54.840 0.267 0.000 0.850 290 L CB 0.656 42.950 42.059 0.392 0.000 1.110 290 L HN 0.116 nan 8.230 nan 0.000 0.496 291 L N 4.181 125.529 121.223 0.209 0.000 2.375 291 L HA 0.311 4.651 4.340 0.000 0.000 0.268 291 L C -1.523 175.440 176.870 0.156 0.000 1.058 291 L CA -1.675 53.267 54.840 0.170 0.000 0.803 291 L CB 0.881 42.987 42.059 0.078 0.000 1.212 291 L HN 0.422 nan 8.230 nan 0.000 0.451 292 P HA -0.054 nan 4.420 nan 0.000 0.252 292 P C 0.736 177.994 177.300 -0.069 0.000 1.265 292 P CA 0.544 63.678 63.100 0.057 0.000 0.775 292 P CB 0.540 32.293 31.700 0.087 0.000 1.128 293 S N -0.839 114.824 115.700 -0.062 0.000 1.961 293 S HA -0.221 4.249 4.470 0.000 0.000 0.239 293 S C 1.258 175.818 174.600 -0.067 0.000 1.051 293 S CA 1.686 59.831 58.200 -0.092 0.000 1.476 293 S CB -2.195 60.897 63.200 -0.180 0.000 1.861 293 S HN 0.154 nan 8.310 nan 0.000 0.559 294 D N 0.933 121.302 120.400 -0.051 0.000 2.218 294 D HA 0.083 4.723 4.640 0.000 0.000 0.204 294 D C 0.696 176.983 176.300 -0.023 0.000 0.976 294 D CA 1.252 55.230 54.000 -0.036 0.000 0.853 294 D CB -0.299 40.487 40.800 -0.023 0.000 0.939 294 D HN 0.573 nan 8.370 nan 0.000 0.481 295 I N 1.262 121.823 120.570 -0.015 0.000 2.269 295 I HA 0.221 4.391 4.170 0.000 0.000 0.293 295 I C 0.949 177.059 176.117 -0.011 0.000 1.106 295 I CA -0.647 60.648 61.300 -0.008 0.000 1.248 295 I CB 0.397 38.398 38.000 0.002 0.000 1.444 295 I HN -0.165 nan 8.210 nan 0.000 0.497 296 A N 3.892 126.704 122.820 -0.013 0.000 2.192 296 A HA 0.151 4.471 4.320 0.000 0.000 0.285 296 A C 1.179 178.759 177.584 -0.005 0.000 1.515 296 A CA 0.910 52.939 52.037 -0.013 0.000 0.885 296 A CB -0.076 18.917 19.000 -0.012 0.000 1.274 296 A HN 0.837 nan 8.150 nan 0.000 0.553 297 D N -3.938 116.461 120.400 -0.001 0.000 1.931 297 D HA -0.146 4.495 4.640 0.000 0.000 0.201 297 D C -0.401 175.905 176.300 0.011 0.000 1.305 297 D CA 1.440 55.444 54.000 0.007 0.000 1.398 297 D CB -1.065 39.740 40.800 0.008 0.000 1.389 297 D HN 0.794 nan 8.370 nan 0.000 0.614 298 V N 1.252 121.169 119.914 0.005 0.000 2.812 298 V HA 0.352 4.472 4.120 0.000 0.000 0.280 298 V C -0.817 175.277 176.094 -0.000 0.000 1.324 298 V CA -0.577 61.727 62.300 0.006 0.000 0.933 298 V CB 1.854 33.685 31.823 0.012 0.000 1.091 298 V HN 0.139 nan 8.190 nan 0.000 0.455 299 I N 5.373 125.940 120.570 -0.005 0.000 2.689 299 I HA 0.650 4.820 4.170 0.000 0.000 0.299 299 I C -1.396 174.715 176.117 -0.009 0.000 1.059 299 I CA -1.012 60.280 61.300 -0.015 0.000 1.055 299 I CB 2.428 40.411 38.000 -0.028 0.000 1.243 299 I HN 0.324 nan 8.210 nan 0.000 0.425 300 L N 4.690 125.907 121.223 -0.010 0.000 2.372 300 L HA 0.470 4.810 4.340 0.000 0.000 0.273 300 L C -0.394 176.475 176.870 -0.002 0.000 0.989 300 L CA -0.239 54.601 54.840 0.001 0.000 0.841 300 L CB 1.472 43.539 42.059 0.014 0.000 1.225 300 L HN 0.512 nan 8.230 nan 0.000 0.414 301 E N 1.490 121.690 120.200 -0.001 0.000 2.183 301 E HA 0.808 5.159 4.350 0.000 0.000 0.271 301 E C -0.428 176.187 176.600 0.024 0.000 0.919 301 E CA -0.504 55.897 56.400 0.003 0.000 0.781 301 E CB 1.700 31.389 29.700 -0.017 0.000 1.140 301 E HN 0.703 nan 8.360 nan 0.000 0.402 302 G N 2.579 111.408 108.800 0.049 0.000 2.782 302 G HA2 0.208 4.168 3.960 0.000 0.000 0.304 302 G HA3 0.208 4.168 3.960 0.000 0.000 0.304 302 G C -1.450 173.492 174.900 0.070 0.000 1.315 302 G CA -0.703 44.428 45.100 0.052 0.000 0.791 302 G HN 0.538 nan 8.290 nan 0.000 0.519 303 E N 0.341 120.575 120.200 0.057 0.000 2.133 303 E HA 0.474 4.825 4.350 0.000 0.000 0.274 303 E C -0.119 176.512 176.600 0.051 0.000 0.930 303 E CA -0.555 55.879 56.400 0.056 0.000 0.770 303 E CB 1.608 31.331 29.700 0.039 0.000 1.104 303 E HN 0.223 nan 8.360 nan 0.000 0.403 304 V N 4.673 124.617 119.914 0.051 0.000 2.843 304 V HA -0.153 3.968 4.120 0.000 0.000 0.305 304 V C 0.978 177.081 176.094 0.015 0.000 1.120 304 V CA 0.837 63.144 62.300 0.012 0.000 1.254 304 V CB 0.978 32.791 31.823 -0.017 0.000 0.901 304 V HN 0.849 nan 8.190 nan 0.000 0.503 305 Q N 2.606 122.417 119.800 0.018 0.000 2.384 305 Q HA 0.310 4.650 4.340 0.000 0.000 0.264 305 Q C -0.464 175.533 176.000 -0.004 0.000 0.825 305 Q CA 0.478 56.297 55.803 0.026 0.000 0.984 305 Q CB 1.607 30.382 28.738 0.061 0.000 1.183 305 Q HN 0.600 nan 8.270 nan 0.000 0.537 306 V N 0.750 120.640 119.914 -0.041 0.000 2.932 306 V HA 0.485 4.605 4.120 0.000 0.000 0.307 306 V C -0.864 175.095 176.094 -0.226 0.000 1.147 306 V CA -0.785 61.411 62.300 -0.174 0.000 0.951 306 V CB 2.704 34.288 31.823 -0.398 0.000 1.031 306 V HN -0.188 nan 8.190 nan 0.000 0.426 307 V N 3.244 123.037 119.914 -0.201 0.000 2.439 307 V HA 0.379 4.499 4.120 0.000 0.000 0.277 307 V C -0.319 175.683 176.094 -0.153 0.000 1.008 307 V CA -0.480 61.718 62.300 -0.169 0.000 0.846 307 V CB 1.470 33.223 31.823 -0.116 0.000 1.031 307 V HN 0.957 nan 8.190 nan 0.000 0.441 308 E N 3.478 123.574 120.200 -0.173 0.000 2.227 308 E HA 0.443 4.793 4.350 0.000 0.000 0.282 308 E C -0.638 175.915 176.600 -0.079 0.000 1.015 308 E CA -0.650 55.675 56.400 -0.124 0.000 0.823 308 E CB 1.327 30.947 29.700 -0.133 0.000 1.081 308 E HN 0.428 nan 8.360 nan 0.000 0.396 309 Q N 3.190 122.955 119.800 -0.058 0.000 2.509 309 Q HA 0.202 4.542 4.340 0.000 0.000 0.236 309 Q C 0.549 176.530 176.000 -0.033 0.000 1.073 309 Q CA -0.086 55.693 55.803 -0.040 0.000 0.867 309 Q CB 1.029 29.748 28.738 -0.031 0.000 1.181 309 Q HN 0.644 nan 8.270 nan 0.000 0.526 310 L N -0.369 120.835 121.223 -0.032 0.000 2.395 310 L HA 0.037 4.377 4.340 0.000 0.000 0.218 310 L C 1.327 178.184 176.870 -0.020 0.000 1.130 310 L CA 0.985 55.809 54.840 -0.026 0.000 0.826 310 L CB 0.039 42.081 42.059 -0.028 0.000 0.941 310 L HN 0.874 nan 8.230 nan 0.000 0.451 311 G N 0.658 109.447 108.800 -0.018 0.000 2.397 311 G HA2 -0.307 3.653 3.960 0.000 0.000 0.211 311 G HA3 -0.307 3.653 3.960 0.000 0.000 0.211 311 G C 0.821 175.715 174.900 -0.011 0.000 1.077 311 G CA 0.299 45.391 45.100 -0.013 0.000 0.649 311 G HN 0.432 nan 8.290 nan 0.000 0.511 312 N N 1.865 120.557 118.700 -0.014 0.000 2.282 312 N HA 0.205 4.945 4.740 0.000 0.000 0.185 312 N C 0.538 176.038 175.510 -0.016 0.000 1.099 312 N CA 1.283 54.325 53.050 -0.013 0.000 0.878 312 N CB 0.555 39.032 38.487 -0.016 0.000 0.993 312 N HN 0.883 nan 8.380 nan 0.000 0.481 313 E N -1.233 118.955 120.200 -0.020 0.000 2.439 313 E HA 0.430 4.781 4.350 0.000 0.000 0.279 313 E C -1.675 174.907 176.600 -0.030 0.000 1.077 313 E CA -0.914 55.469 56.400 -0.027 0.000 0.849 313 E CB 1.032 30.706 29.700 -0.043 0.000 1.408 313 E HN -0.179 nan 8.360 nan 0.000 0.457 314 T N 1.186 115.718 114.554 -0.036 0.000 2.879 314 T HA 0.293 4.644 4.350 0.000 0.000 0.290 314 T C -1.237 173.431 174.700 -0.053 0.000 0.993 314 T CA -0.709 61.369 62.100 -0.036 0.000 0.975 314 T CB 1.383 70.244 68.868 -0.012 0.000 0.981 314 T HN 0.344 nan 8.240 nan 0.000 0.439 315 Q N 3.130 122.897 119.800 -0.055 0.000 2.290 315 Q HA 0.519 4.860 4.340 0.000 0.000 0.259 315 Q C -0.663 175.313 176.000 -0.039 0.000 0.941 315 Q CA -0.861 54.924 55.803 -0.031 0.000 0.912 315 Q CB 1.790 30.528 28.738 0.000 0.000 1.244 315 Q HN 0.448 nan 8.270 nan 0.000 0.441 316 I N 2.888 123.481 120.570 0.037 0.000 2.389 316 I HA 0.284 4.454 4.170 0.000 0.000 0.288 316 I C -0.050 176.159 176.117 0.153 0.000 0.999 316 I CA -0.511 60.775 61.300 -0.024 0.000 1.129 316 I CB 0.989 38.866 38.000 -0.206 0.000 1.288 316 I HN 0.566 nan 8.210 nan 0.000 0.444 317 H N 6.363 125.403 119.070 -0.051 0.000 2.527 317 H HA 0.599 5.155 4.556 0.000 0.000 0.321 317 H C -0.455 174.855 175.328 -0.029 0.000 1.087 317 H CA -0.609 55.426 56.048 -0.022 0.000 1.337 317 H CB 2.203 31.954 29.762 -0.017 0.000 1.440 317 H HN 0.421 nan 8.280 nan 0.000 0.490 318 I N 2.132 122.766 120.570 0.106 0.000 2.646 318 I HA 0.150 4.320 4.170 0.000 0.000 0.299 318 I C -0.392 175.758 176.117 0.056 0.000 1.036 318 I CA -0.738 60.602 61.300 0.066 0.000 1.074 318 I CB 2.378 40.418 38.000 0.067 0.000 1.258 318 I HN 0.483 nan 8.210 nan 0.000 0.430 319 Q N 5.899 125.729 119.800 0.050 0.000 2.307 319 Q HA 0.611 4.951 4.340 0.000 0.000 0.262 319 Q C -1.537 174.486 176.000 0.037 0.000 0.961 319 Q CA -0.522 55.305 55.803 0.040 0.000 0.882 319 Q CB 1.679 30.438 28.738 0.036 0.000 1.264 319 Q HN 0.565 nan 8.270 nan 0.000 0.446 320 I N 6.102 126.691 120.570 0.032 0.000 2.509 320 I HA 0.405 4.575 4.170 0.000 0.000 0.293 320 I C -2.132 173.999 176.117 0.023 0.000 1.020 320 I CA -2.598 58.719 61.300 0.029 0.000 1.088 320 I CB 2.171 40.188 38.000 0.029 0.000 1.267 320 I HN 0.536 nan 8.210 nan 0.000 0.430 321 P HA -0.070 nan 4.420 nan 0.000 0.264 321 P C 0.505 177.815 177.300 0.017 0.000 1.183 321 P CA 0.646 63.756 63.100 0.017 0.000 0.763 321 P CB 0.882 32.591 31.700 0.014 0.000 0.807 322 S N 1.103 116.813 115.700 0.016 0.000 3.084 322 S HA -0.193 4.278 4.470 0.000 0.000 0.277 322 S C -0.019 174.593 174.600 0.020 0.000 1.295 322 S CA 0.990 59.199 58.200 0.016 0.000 1.170 322 S CB -2.726 60.483 63.200 0.014 0.000 1.412 322 S HN 0.493 nan 8.310 nan 0.000 0.669 323 I N 1.557 122.140 120.570 0.022 0.000 2.595 323 I HA 0.400 4.570 4.170 0.000 0.000 0.275 323 I C 1.255 177.386 176.117 0.024 0.000 1.092 323 I CA -0.679 60.636 61.300 0.026 0.000 1.145 323 I CB 1.107 39.124 38.000 0.028 0.000 1.276 323 I HN 0.223 nan 8.210 nan 0.000 0.497 324 R N 3.743 124.256 120.500 0.022 0.000 2.140 324 R HA -0.150 4.190 4.340 0.000 0.000 0.250 324 R C 0.555 176.866 176.300 0.018 0.000 1.150 324 R CA 1.589 57.700 56.100 0.019 0.000 0.966 324 R CB 0.203 30.513 30.300 0.016 0.000 0.869 324 R HN 0.583 nan 8.270 nan 0.000 0.445 325 Q N 1.298 121.111 119.800 0.021 0.000 2.288 325 Q HA 0.129 4.469 4.340 0.000 0.000 0.254 325 Q C -0.717 175.288 176.000 0.009 0.000 0.932 325 Q CA -0.657 55.154 55.803 0.015 0.000 0.902 325 Q CB 1.110 29.862 28.738 0.023 0.000 1.203 325 Q HN 0.265 nan 8.270 nan 0.000 0.415 326 N N 1.532 120.228 118.700 -0.006 0.000 2.453 326 N HA 0.087 4.827 4.740 0.000 0.000 0.253 326 N C -0.720 174.770 175.510 -0.033 0.000 1.252 326 N CA -0.033 53.011 53.050 -0.010 0.000 0.917 326 N CB 0.531 39.011 38.487 -0.013 0.000 1.117 326 N HN 0.345 nan 8.380 nan 0.000 0.442 327 L N 1.953 123.172 121.223 -0.007 0.000 2.275 327 L HA 0.319 4.660 4.340 0.000 0.000 0.288 327 L C -0.697 176.170 176.870 -0.005 0.000 1.046 327 L CA -0.515 54.324 54.840 -0.002 0.000 0.805 327 L CB 1.343 43.423 42.059 0.035 0.000 1.193 327 L HN 0.176 nan 8.230 nan 0.000 0.426 328 V N 5.571 125.459 119.914 -0.044 0.000 2.427 328 V HA 0.345 4.465 4.120 0.000 0.000 0.286 328 V C -0.842 175.313 176.094 0.100 0.000 1.034 328 V CA -0.585 61.706 62.300 -0.016 0.000 0.893 328 V CB 1.231 32.958 31.823 -0.160 0.000 0.982 328 V HN 0.663 nan 8.190 nan 0.000 0.452 329 Y N 5.407 125.717 120.300 0.018 0.000 2.462 329 Y HA 0.746 5.296 4.550 0.000 0.000 0.346 329 Y C -0.194 175.718 175.900 0.019 0.000 0.976 329 Y CA -1.050 57.063 58.100 0.022 0.000 1.044 329 Y CB 1.664 40.150 38.460 0.043 0.000 1.230 329 Y HN 0.579 nan 8.280 nan 0.000 0.455 330 R N 3.992 124.016 120.500 -0.793 0.000 2.670 330 R HA 0.471 4.812 4.340 0.000 0.000 0.289 330 R C -1.578 174.220 176.300 -0.837 0.000 0.965 330 R CA -1.029 54.719 56.100 -0.586 0.000 0.899 330 R CB 2.238 32.365 30.300 -0.289 0.000 1.173 330 R HN 0.776 nan 8.270 nan 0.000 0.456 331 Q N 1.887 121.451 119.800 -0.394 0.000 2.309 331 Q HA 0.262 4.602 4.340 0.000 0.000 0.273 331 Q C -1.307 174.664 176.000 -0.049 0.000 1.040 331 Q CA -0.804 54.898 55.803 -0.167 0.000 0.834 331 Q CB 1.886 30.686 28.738 0.103 0.000 1.345 331 Q HN 0.489 nan 8.270 nan 0.000 0.414 332 N N 3.033 121.724 118.700 -0.016 0.000 2.492 332 N HA 0.081 4.821 4.740 0.000 0.000 0.260 332 N C -0.377 175.142 175.510 0.016 0.000 1.215 332 N CA 1.024 54.072 53.050 -0.003 0.000 0.923 332 N CB 0.586 39.075 38.487 0.004 0.000 1.092 332 N HN 0.802 nan 8.380 nan 0.000 0.448 333 D N -0.950 119.455 120.400 0.007 0.000 3.641 333 D HA -0.239 4.401 4.640 0.000 0.000 0.235 333 D C -0.750 175.559 176.300 0.015 0.000 1.648 333 D CA 0.801 54.808 54.000 0.012 0.000 1.149 333 D CB -0.355 40.457 40.800 0.021 0.000 0.742 333 D HN 0.243 nan 8.370 nan 0.000 0.920 334 V N -0.438 119.488 119.914 0.020 0.000 2.333 334 V HA 0.654 4.774 4.120 0.000 0.000 0.274 334 V C 0.233 176.351 176.094 0.041 0.000 1.028 334 V CA -0.593 61.720 62.300 0.022 0.000 0.851 334 V CB 1.396 33.230 31.823 0.018 0.000 1.000 334 V HN 0.350 nan 8.190 nan 0.000 0.456 335 V N 7.385 127.328 119.914 0.050 0.000 2.284 335 V HA 0.367 4.488 4.120 0.000 0.000 0.274 335 V C -0.172 175.959 176.094 0.061 0.000 1.023 335 V CA -0.428 61.922 62.300 0.083 0.000 0.808 335 V CB 1.153 33.057 31.823 0.135 0.000 1.035 335 V HN 0.891 nan 8.190 nan 0.000 0.445 336 L N 5.826 127.082 121.223 0.055 0.000 2.342 336 L HA 0.648 4.988 4.340 0.000 0.000 0.285 336 L C -0.163 176.739 176.870 0.054 0.000 1.095 336 L CA 0.164 55.026 54.840 0.038 0.000 0.843 336 L CB 0.237 42.313 42.059 0.029 0.000 1.201 336 L HN 0.234 nan 8.230 nan 0.000 0.445 337 V N 1.288 121.224 119.914 0.036 0.000 2.914 337 V HA 0.568 4.688 4.120 0.000 0.000 0.314 337 V C 0.074 176.174 176.094 0.010 0.000 1.084 337 V CA -0.808 61.521 62.300 0.049 0.000 0.963 337 V CB 2.273 34.129 31.823 0.055 0.000 1.025 337 V HN 0.626 nan 8.190 nan 0.000 0.432 338 E N 1.204 121.418 120.200 0.023 0.000 2.254 338 E HA 0.426 4.777 4.350 0.000 0.000 0.261 338 E C -0.318 176.282 176.600 -0.000 0.000 1.051 338 E CA -0.604 55.800 56.400 0.007 0.000 0.902 338 E CB 1.177 30.887 29.700 0.016 0.000 1.168 338 E HN 0.657 nan 8.360 nan 0.000 0.423 339 E N -0.385 119.810 120.200 -0.008 0.000 2.409 339 E HA 0.216 4.566 4.350 0.000 0.000 0.257 339 E C 0.769 177.374 176.600 0.008 0.000 1.150 339 E CA 0.422 56.817 56.400 -0.009 0.000 0.942 339 E CB 0.339 30.032 29.700 -0.012 0.000 0.979 339 E HN 0.769 nan 8.360 nan 0.000 0.447 340 G N 0.839 109.646 108.800 0.012 0.000 2.238 340 G HA2 -0.393 3.567 3.960 0.000 0.000 0.270 340 G HA3 -0.393 3.567 3.960 0.000 0.000 0.270 340 G C 0.580 175.500 174.900 0.034 0.000 0.977 340 G CA 0.527 45.640 45.100 0.021 0.000 0.639 340 G HN 0.812 nan 8.290 nan 0.000 0.544 341 A N -0.698 122.149 122.820 0.044 0.000 2.433 341 A HA 0.564 4.884 4.320 0.000 0.000 0.250 341 A C 0.951 178.589 177.584 0.089 0.000 1.113 341 A CA 1.523 53.602 52.037 0.070 0.000 0.794 341 A CB 0.219 19.279 19.000 0.100 0.000 1.067 341 A HN 1.308 nan 8.150 nan 0.000 0.510 342 T N 0.649 115.261 114.554 0.096 0.000 3.042 342 T HA 0.507 4.857 4.350 0.000 0.000 0.356 342 T C -0.971 173.797 174.700 0.114 0.000 1.233 342 T CA -0.218 61.933 62.100 0.085 0.000 1.038 342 T CB -0.894 67.995 68.868 0.036 0.000 1.089 342 T HN 0.365 nan 8.240 nan 0.000 0.531 343 F N 3.374 123.305 119.950 -0.032 0.000 2.399 343 F HA 0.762 5.289 4.527 0.000 0.000 0.328 343 F C 0.259 176.013 175.800 -0.076 0.000 1.084 343 F CA -0.521 57.444 58.000 -0.059 0.000 1.053 343 F CB 1.368 40.328 39.000 -0.067 0.000 1.209 343 F HN 0.614 nan 8.300 nan 0.000 0.502 344 A N 5.041 127.649 122.820 -0.353 0.000 2.498 344 A HA 0.867 5.187 4.320 0.000 0.000 0.298 344 A C -1.193 176.233 177.584 -0.263 0.000 1.075 344 A CA -0.598 51.309 52.037 -0.217 0.000 0.714 344 A CB 1.347 20.218 19.000 -0.216 0.000 1.299 344 A HN 0.780 nan 8.150 nan 0.000 0.407 345 I N -1.779 118.710 120.570 -0.136 0.000 3.279 345 I HA 0.908 5.078 4.170 0.000 0.000 0.315 345 I C 0.008 176.095 176.117 -0.051 0.000 1.225 345 I CA -1.172 60.048 61.300 -0.132 0.000 0.947 345 I CB 2.008 39.926 38.000 -0.138 0.000 1.293 345 I HN 0.784 nan 8.210 nan 0.000 0.468 346 G N 1.978 110.774 108.800 -0.007 0.000 2.416 346 G HA2 0.621 4.581 3.960 0.000 0.000 0.329 346 G HA3 0.621 4.581 3.960 0.000 0.000 0.329 346 G C -1.422 173.502 174.900 0.041 0.000 1.173 346 G CA -0.719 44.389 45.100 0.013 0.000 0.929 346 G HN 0.633 nan 8.290 nan 0.000 0.475 347 L N 3.265 124.505 121.223 0.027 0.000 2.283 347 L HA 0.362 4.703 4.340 0.000 0.000 0.281 347 L C -2.177 174.703 176.870 0.016 0.000 1.033 347 L CA -2.095 52.763 54.840 0.030 0.000 0.848 347 L CB 2.174 44.246 42.059 0.022 0.000 1.226 347 L HN 0.251 nan 8.230 nan 0.000 0.429 348 P HA 0.199 nan 4.420 nan 0.000 0.271 348 P C -2.156 175.117 177.300 -0.044 0.000 1.380 348 P CA -1.301 61.783 63.100 -0.026 0.000 0.992 348 P CB 0.636 32.309 31.700 -0.046 0.000 1.230 349 P HA -0.259 nan 4.420 nan 0.000 0.217 349 P C 0.986 178.244 177.300 -0.069 0.000 1.162 349 P CA 1.682 64.768 63.100 -0.024 0.000 0.901 349 P CB -0.148 31.558 31.700 0.011 0.000 0.793 350 E N -1.246 118.877 120.200 -0.127 0.000 2.510 350 E HA -0.130 4.220 4.350 0.000 0.000 0.202 350 E C 1.431 177.823 176.600 -0.347 0.000 1.072 350 E CA 0.834 57.084 56.400 -0.251 0.000 0.883 350 E CB -0.690 28.758 29.700 -0.419 0.000 0.818 350 E HN 0.180 nan 8.360 nan 0.000 0.548 351 R N -0.428 119.934 120.500 -0.230 0.000 2.629 351 R HA 0.304 4.644 4.340 0.000 0.000 0.408 351 R C -1.133 175.088 176.300 -0.132 0.000 1.057 351 R CA -0.126 55.851 56.100 -0.205 0.000 1.119 351 R CB 0.095 30.280 30.300 -0.192 0.000 1.403 351 R HN 0.098 nan 8.270 nan 0.000 0.576 352 C N 0.665 119.880 119.300 -0.140 0.000 2.358 352 C HA 0.513 4.973 4.460 0.000 0.000 0.342 352 C C -0.316 174.569 174.990 -0.176 0.000 1.234 352 C CA -0.745 58.228 59.018 -0.074 0.000 1.969 352 C CB 0.538 28.264 27.740 -0.024 0.000 2.346 352 C HN 0.521 nan 8.230 nan 0.000 0.525 353 H N 1.185 120.197 119.070 -0.097 0.000 2.502 353 H HA 0.721 5.278 4.556 0.000 0.000 0.338 353 H C -0.565 174.558 175.328 -0.342 0.000 1.155 353 H CA -0.665 55.234 56.048 -0.247 0.000 1.237 353 H CB 0.757 30.325 29.762 -0.323 0.000 1.534 353 H HN 0.469 nan 8.280 nan 0.000 0.523 354 L N 2.525 123.533 121.223 -0.358 0.000 2.349 354 L HA 0.459 4.799 4.340 0.000 0.000 0.278 354 L C -1.784 174.827 176.870 -0.432 0.000 0.996 354 L CA -0.359 54.328 54.840 -0.254 0.000 0.825 354 L CB 0.405 42.401 42.059 -0.105 0.000 1.243 354 L HN 0.488 nan 8.230 nan 0.000 0.412 355 F N 3.960 123.991 119.950 0.135 0.000 2.444 355 F HA 0.603 5.131 4.527 0.000 0.000 0.342 355 F C 0.658 176.499 175.800 0.069 0.000 1.121 355 F CA -0.714 57.352 58.000 0.109 0.000 0.997 355 F CB 1.344 40.415 39.000 0.119 0.000 1.130 355 F HN 0.347 nan 8.300 nan 0.000 0.454 356 R N 1.847 122.479 120.500 0.219 0.000 2.707 356 R HA 0.110 4.450 4.340 0.000 0.000 0.270 356 R C 1.049 177.420 176.300 0.120 0.000 1.083 356 R CA -0.438 55.741 56.100 0.131 0.000 1.182 356 R CB 0.521 30.879 30.300 0.097 0.000 1.084 356 R HN 0.737 nan 8.270 nan 0.000 0.528 357 E N 0.653 120.898 120.200 0.075 0.000 2.209 357 E HA -0.244 4.107 4.350 0.000 0.000 0.196 357 E C 1.001 177.626 176.600 0.042 0.000 0.993 357 E CA 0.998 57.428 56.400 0.049 0.000 0.819 357 E CB -0.023 29.697 29.700 0.033 0.000 0.745 357 E HN 0.531 nan 8.360 nan 0.000 0.477 358 D N -0.217 120.215 120.400 0.054 0.000 2.310 358 D HA -0.100 4.540 4.640 0.000 0.000 0.212 358 D C 1.532 177.865 176.300 0.056 0.000 0.965 358 D CA 1.270 55.299 54.000 0.048 0.000 0.879 358 D CB 0.037 40.869 40.800 0.054 0.000 0.921 358 D HN 0.304 nan 8.370 nan 0.000 0.510 359 G N -0.270 108.581 108.800 0.085 0.000 2.199 359 G HA2 -0.270 3.690 3.960 0.000 0.000 0.254 359 G HA3 -0.270 3.690 3.960 0.000 0.000 0.254 359 G C 0.553 175.561 174.900 0.179 0.000 0.982 359 G CA 0.788 45.934 45.100 0.077 0.000 0.632 359 G HN 0.592 nan 8.290 nan 0.000 0.529 360 T N -0.351 114.314 114.554 0.185 0.000 2.897 360 T HA 0.723 5.073 4.350 0.000 0.000 0.294 360 T C 0.442 175.316 174.700 0.289 0.000 1.004 360 T CA 0.382 62.609 62.100 0.211 0.000 1.106 360 T CB 2.141 71.086 68.868 0.128 0.000 0.949 360 T HN 1.646 nan 8.240 nan 0.000 0.520 361 A N 1.641 124.643 122.820 0.303 0.000 2.331 361 A HA 0.499 4.819 4.320 0.000 0.000 0.283 361 A C 0.453 178.066 177.584 0.047 0.000 1.142 361 A CA -0.927 51.193 52.037 0.138 0.000 0.812 361 A CB -0.039 19.068 19.000 0.179 0.000 1.074 361 A HN 1.053 nan 8.150 nan 0.000 0.497 362 C N 3.130 122.409 119.300 -0.035 0.000 2.383 362 C HA 0.372 4.833 4.460 0.000 0.000 0.350 362 C C 1.044 176.037 174.990 0.004 0.000 1.173 362 C CA -0.597 58.417 59.018 -0.006 0.000 1.645 362 C CB -1.471 26.257 27.740 -0.020 0.000 2.221 362 C HN 0.948 nan 8.230 nan 0.000 0.528 363 R N 3.341 123.860 120.500 0.032 0.000 2.695 363 R HA -0.115 4.225 4.340 0.000 0.000 0.304 363 R C 0.202 176.528 176.300 0.043 0.000 0.836 363 R CA 0.917 57.041 56.100 0.041 0.000 1.135 363 R CB -0.133 30.172 30.300 0.008 0.000 0.882 363 R HN 0.674 nan 8.270 nan 0.000 0.413 364 R N 4.928 125.489 120.500 0.103 0.000 2.489 364 R HA 0.026 4.366 4.340 0.000 0.000 0.287 364 R C 0.776 177.140 176.300 0.107 0.000 1.053 364 R CA -0.072 56.100 56.100 0.121 0.000 1.036 364 R CB 0.422 30.848 30.300 0.211 0.000 0.966 364 R HN 0.664 nan 8.270 nan 0.000 0.432 365 L N 1.696 122.971 121.223 0.085 0.000 2.446 365 L HA 0.029 4.370 4.340 0.000 0.000 0.219 365 L C 0.883 177.804 176.870 0.085 0.000 1.116 365 L CA 0.059 54.934 54.840 0.057 0.000 0.844 365 L CB -0.280 41.805 42.059 0.043 0.000 0.970 365 L HN 0.622 nan 8.230 nan 0.000 0.457 366 H N 2.252 121.347 119.070 0.043 0.000 2.964 366 H HA 0.065 4.621 4.556 0.000 0.000 0.328 366 H C -0.172 175.202 175.328 0.077 0.000 1.030 366 H CA 0.229 56.295 56.048 0.030 0.000 1.445 366 H CB 0.459 30.218 29.762 -0.005 0.000 1.449 366 H HN -0.060 nan 8.280 nan 0.000 0.581 367 K N 5.065 125.176 120.400 -0.482 0.000 2.264 367 K HA 0.116 4.436 4.320 0.000 0.000 0.277 367 K C -0.407 175.980 176.600 -0.356 0.000 1.067 367 K CA -0.692 55.443 56.287 -0.254 0.000 0.900 367 K CB 0.970 33.359 32.500 -0.185 0.000 1.124 367 K HN 0.613 nan 8.250 nan 0.000 0.469 368 E N 4.784 124.917 120.200 -0.111 0.000 2.180 368 E HA 0.088 4.438 4.350 0.000 0.000 0.283 368 E C -2.076 174.441 176.600 -0.138 0.000 1.061 368 E CA -1.959 54.304 56.400 -0.228 0.000 0.861 368 E CB 0.557 29.844 29.700 -0.689 0.000 1.056 368 E HN 0.379 nan 8.360 nan 0.000 0.407 369 P HA 0.051 nan 4.420 nan 0.000 0.256 369 P C 0.114 177.422 177.300 0.013 0.000 1.189 369 P CA 0.476 63.557 63.100 -0.032 0.000 0.808 369 P CB 0.276 31.965 31.700 -0.018 0.000 0.793 370 G N 0.000 108.830 108.800 0.049 0.000 5.446 370 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 370 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 370 G CA 0.000 45.164 45.100 0.107 0.000 0.502 370 G HN 0.000 nan 8.290 nan 0.000 0.925