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 1zxm_1_B DATA FIRST_RESID 29 DATA SEQUENCE SVERIYQKKT QLEHILLRPD TYIGSVELVT QQMWVYDEDV GINYREVTFV DATA SEQUENCE PGLYKIFDEI LVNAADNKQR DPKMSCIRVT IDPENNLISI WNNGKGIPVV DATA SEQUENCE EHKVEKMYVP ALIFGQLLTS SNYDDDEKKV TGGRNGYGAK LCNIFSTKFT DATA SEQUENCE VETASREYKK MFKQTWMDNM GRAGEMELKP FNGEDYTCIT FQPDLSKFKM DATA SEQUENCE QSLDKDIVAL MVRRAYDIAG STKDVKVFLN GNKLPVKGFR SYVDMYLKDK DATA SEQUENCE LDETGNSLKV IHEQVNHRWE VCLTMSEKGF QQISFVNSIA TSKGGRHVDY DATA SEQUENCE VADQIVTKLV DVVKKKNXXX XXVKAHQVKN HMWIFVNALI ENPTFDSQTK DATA SEQUENCE ENMTLQPKSF GSTCQLSEKF IKAAIGCGIV ESI 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 29 S HA 0.000 nan 4.470 nan 0.000 0.327 29 S C 0.000 174.618 174.600 0.030 0.000 1.055 29 S CA 0.000 58.210 58.200 0.017 0.000 1.107 29 S CB 0.000 63.212 63.200 0.019 0.000 0.593 30 V N 1.380 121.338 119.914 0.073 0.000 2.343 30 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 30 V C 2.434 178.622 176.094 0.157 0.000 1.051 30 V CA 2.570 64.966 62.300 0.160 0.000 1.036 30 V CB -1.169 30.752 31.823 0.164 0.000 0.654 30 V HN 0.915 nan 8.190 nan 0.000 0.451 31 E N 0.335 120.590 120.200 0.091 0.000 2.204 31 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 31 E C 2.418 179.045 176.600 0.045 0.000 0.989 31 E CA 1.550 57.994 56.400 0.075 0.000 0.824 31 E CB -0.447 29.282 29.700 0.049 0.000 0.756 31 E HN 0.651 nan 8.360 nan 0.000 0.477 32 R N 0.662 121.171 120.500 0.015 0.000 2.100 32 R HA 0.136 4.476 4.340 -0.000 0.000 0.220 32 R C 2.147 178.411 176.300 -0.060 0.000 1.091 32 R CA 1.196 57.287 56.100 -0.014 0.000 0.986 32 R CB -1.191 29.097 30.300 -0.019 0.000 0.888 32 R HN 0.189 nan 8.270 nan 0.000 0.444 33 I N -0.673 119.824 120.570 -0.122 0.000 2.162 33 I HA -0.049 4.121 4.170 -0.000 0.000 0.238 33 I C 0.278 176.162 176.117 -0.388 0.000 1.076 33 I CA 0.686 61.797 61.300 -0.315 0.000 1.353 33 I CB -0.127 37.559 38.000 -0.523 0.000 1.063 33 I HN 0.253 nan 8.210 nan 0.000 0.408 34 Y N 2.355 122.662 120.300 0.013 0.000 2.425 34 Y HA 0.384 4.934 4.550 -0.000 0.000 0.347 34 Y C -0.013 175.898 175.900 0.017 0.000 0.976 34 Y CA -0.406 57.703 58.100 0.015 0.000 1.190 34 Y CB 0.245 38.713 38.460 0.012 0.000 1.136 34 Y HN 0.156 nan 8.280 nan 0.000 0.517 35 Q N 2.505 122.383 119.800 0.130 0.000 2.387 35 Q HA 0.492 4.832 4.340 -0.000 0.000 0.273 35 Q C -1.002 175.053 176.000 0.092 0.000 1.089 35 Q CA -1.356 54.501 55.803 0.090 0.000 0.824 35 Q CB 3.105 31.875 28.738 0.054 0.000 1.367 35 Q HN 0.496 nan 8.270 nan 0.000 0.443 36 K N 1.551 121.995 120.400 0.073 0.000 2.270 36 K HA 0.395 4.715 4.320 -0.000 0.000 0.255 36 K C -1.102 175.535 176.600 0.062 0.000 0.936 36 K CA -0.663 55.662 56.287 0.064 0.000 0.809 36 K CB 0.976 33.505 32.500 0.048 0.000 1.131 36 K HN 0.265 nan 8.250 nan 0.000 0.427 37 K N 1.752 122.197 120.400 0.075 0.000 2.267 37 K HA 0.281 4.601 4.320 -0.000 0.000 0.246 37 K C -0.356 176.284 176.600 0.067 0.000 0.954 37 K CA -0.672 55.665 56.287 0.083 0.000 0.824 37 K CB 1.934 34.520 32.500 0.145 0.000 1.167 37 K HN 0.918 nan 8.250 nan 0.000 0.431 38 T N -1.492 113.095 114.554 0.055 0.000 2.849 38 T HA 0.132 4.482 4.350 -0.000 0.000 0.284 38 T C 1.287 176.022 174.700 0.058 0.000 1.004 38 T CA -0.317 61.806 62.100 0.038 0.000 1.021 38 T CB 0.851 69.731 68.868 0.020 0.000 1.013 38 T HN 0.442 nan 8.240 nan 0.000 0.527 39 Q N -0.008 119.816 119.800 0.040 0.000 2.096 39 Q HA -0.046 4.293 4.340 -0.000 0.000 0.204 39 Q C 2.257 178.279 176.000 0.038 0.000 0.982 39 Q CA 1.395 57.234 55.803 0.059 0.000 0.850 39 Q CB -0.475 28.292 28.738 0.048 0.000 0.901 39 Q HN 0.650 nan 8.270 nan 0.000 0.422 40 L N 0.524 121.743 121.223 -0.007 0.000 2.093 40 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 40 L C 2.193 179.026 176.870 -0.062 0.000 1.085 40 L CA 1.164 55.966 54.840 -0.062 0.000 0.755 40 L CB -0.331 41.688 42.059 -0.065 0.000 0.904 40 L HN 0.252 nan 8.230 nan 0.000 0.435 41 E N -1.018 119.177 120.200 -0.009 0.000 2.077 41 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 41 E C 2.114 178.728 176.600 0.024 0.000 0.989 41 E CA 0.977 57.376 56.400 -0.002 0.000 0.800 41 E CB -0.213 29.503 29.700 0.026 0.000 0.746 41 E HN 0.488 nan 8.360 nan 0.000 0.452 42 H N 0.916 119.978 119.070 -0.012 0.000 2.387 42 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 42 H C 2.112 177.454 175.328 0.023 0.000 1.099 42 H CA 1.333 57.408 56.048 0.044 0.000 1.315 42 H CB 0.029 29.856 29.762 0.107 0.000 1.380 42 H HN 0.150 nan 8.280 nan 0.000 0.513 43 I N 0.527 121.040 120.570 -0.096 0.000 2.179 43 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 43 I C 2.613 178.677 176.117 -0.088 0.000 1.088 43 I CA 0.884 61.961 61.300 -0.371 0.000 1.357 43 I CB -0.192 37.477 38.000 -0.552 0.000 1.051 43 I HN 0.205 nan 8.210 nan 0.000 0.409 44 L N -0.316 120.835 121.223 -0.119 0.000 2.156 44 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 44 L C 2.459 179.328 176.870 -0.003 0.000 1.095 44 L CA 0.763 55.563 54.840 -0.067 0.000 0.770 44 L CB -0.351 41.618 42.059 -0.150 0.000 0.914 44 L HN 0.291 nan 8.230 nan 0.000 0.439 45 L N -0.601 120.595 121.223 -0.046 0.000 2.131 45 L HA 0.021 4.361 4.340 -0.000 0.000 0.206 45 L C 1.148 177.978 176.870 -0.067 0.000 1.087 45 L CA 1.458 56.265 54.840 -0.055 0.000 0.767 45 L CB 0.010 42.025 42.059 -0.074 0.000 0.917 45 L HN 0.063 nan 8.230 nan 0.000 0.441 46 R N -0.575 119.858 120.500 -0.111 0.000 2.629 46 R HA 0.272 4.612 4.340 -0.000 0.000 0.277 46 R C -2.062 174.323 176.300 0.142 0.000 1.637 46 R CA -1.388 54.670 56.100 -0.070 0.000 1.663 46 R CB 0.505 30.634 30.300 -0.284 0.000 1.228 46 R HN 0.143 nan 8.270 nan 0.000 0.632 47 P HA -0.077 nan 4.420 nan 0.000 0.221 47 P C 0.301 177.726 177.300 0.208 0.000 1.150 47 P CA 0.954 64.219 63.100 0.275 0.000 0.800 47 P CB 0.405 32.212 31.700 0.179 0.000 0.787 48 D N -0.476 119.981 120.400 0.096 0.000 2.154 48 D HA -0.203 4.437 4.640 -0.000 0.000 0.190 48 D C 1.819 178.111 176.300 -0.013 0.000 1.003 48 D CA 2.331 56.348 54.000 0.028 0.000 0.849 48 D CB -1.079 39.724 40.800 0.005 0.000 0.942 48 D HN 0.267 nan 8.370 nan 0.000 0.446 49 T N -2.687 111.814 114.554 -0.087 0.000 3.118 49 T HA -0.059 4.291 4.350 -0.000 0.000 0.260 49 T C 1.360 175.869 174.700 -0.317 0.000 1.139 49 T CA 0.516 62.483 62.100 -0.222 0.000 1.085 49 T CB -0.287 68.391 68.868 -0.315 0.000 0.934 49 T HN 0.213 nan 8.240 nan 0.000 0.518 50 Y N 1.378 121.640 120.300 -0.063 0.000 2.353 50 Y HA 0.415 4.965 4.550 0.000 0.000 0.294 50 Y C 2.089 177.942 175.900 -0.079 0.000 1.135 50 Y CA 0.131 58.169 58.100 -0.103 0.000 1.176 50 Y CB 0.247 38.687 38.460 -0.034 0.000 1.124 50 Y HN 0.345 nan 8.280 nan 0.000 0.537 51 I N -3.402 117.227 120.570 0.098 0.000 4.338 51 I HA 0.710 4.880 4.170 -0.000 0.000 0.329 51 I C 0.678 176.778 176.117 -0.028 0.000 1.378 51 I CA 0.152 61.451 61.300 -0.001 0.000 1.170 51 I CB 0.623 38.572 38.000 -0.085 0.000 1.206 51 I HN 0.156 nan 8.210 nan 0.000 0.432 52 G N 1.706 110.498 108.800 -0.014 0.000 2.631 52 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.504 52 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.504 52 G C -0.472 174.417 174.900 -0.018 0.000 1.306 52 G CA -0.179 44.913 45.100 -0.014 0.000 0.897 52 G HN 0.441 nan 8.290 nan 0.000 0.520 53 S N -1.213 114.472 115.700 -0.026 0.000 2.560 53 S HA 0.335 4.805 4.470 -0.000 0.000 0.284 53 S C 1.623 176.212 174.600 -0.019 0.000 1.327 53 S CA 0.577 58.758 58.200 -0.031 0.000 1.055 53 S CB 0.851 64.015 63.200 -0.059 0.000 0.868 53 S HN 2.044 nan 8.310 nan 0.000 0.506 54 V N 1.256 121.186 119.914 0.028 0.000 3.376 54 V HA 0.511 4.631 4.120 -0.000 0.000 0.313 54 V C 0.208 176.358 176.094 0.093 0.000 1.393 54 V CA -0.270 62.109 62.300 0.131 0.000 1.125 54 V CB -0.411 31.490 31.823 0.129 0.000 1.037 54 V HN 0.598 nan 8.190 nan 0.000 0.440 55 E N 0.808 121.011 120.200 0.005 0.000 2.222 55 E HA 0.573 4.923 4.350 -0.000 0.000 0.267 55 E C -0.402 176.149 176.600 -0.083 0.000 0.963 55 E CA -0.856 55.533 56.400 -0.018 0.000 0.837 55 E CB 2.634 32.319 29.700 -0.026 0.000 1.183 55 E HN 0.313 nan 8.360 nan 0.000 0.403 56 L N 1.074 122.254 121.223 -0.071 0.000 2.485 56 L HA 0.114 4.453 4.340 -0.000 0.000 0.275 56 L C -0.053 176.720 176.870 -0.161 0.000 1.207 56 L CA -0.024 54.746 54.840 -0.117 0.000 0.855 56 L CB 0.280 42.306 42.059 -0.055 0.000 1.114 56 L HN 0.077 nan 8.230 nan 0.000 0.485 57 V N 1.986 121.744 119.914 -0.260 0.000 2.709 57 V HA 0.393 4.513 4.120 -0.000 0.000 0.308 57 V C -0.227 175.805 176.094 -0.103 0.000 1.062 57 V CA -0.491 61.672 62.300 -0.228 0.000 0.901 57 V CB 2.344 33.928 31.823 -0.398 0.000 1.003 57 V HN 0.759 nan 8.190 nan 0.000 0.425 58 T N 5.900 120.436 114.554 -0.030 0.000 2.815 58 T HA 0.690 5.040 4.350 -0.000 0.000 0.289 58 T C -0.710 174.002 174.700 0.019 0.000 1.000 58 T CA -0.539 61.569 62.100 0.013 0.000 0.958 58 T CB 0.963 69.825 68.868 -0.009 0.000 0.944 58 T HN 0.863 nan 8.240 nan 0.000 0.442 59 Q N 2.081 121.902 119.800 0.035 0.000 2.756 59 Q HA 0.418 4.758 4.340 -0.000 0.000 0.295 59 Q C -1.656 174.282 176.000 -0.104 0.000 0.903 59 Q CA -1.321 54.476 55.803 -0.009 0.000 0.768 59 Q CB 1.346 30.112 28.738 0.047 0.000 1.472 59 Q HN 0.422 nan 8.270 nan 0.000 0.416 60 Q N 1.430 121.103 119.800 -0.212 0.000 2.299 60 Q HA 0.666 5.006 4.340 -0.000 0.000 0.246 60 Q C -0.210 175.416 176.000 -0.623 0.000 0.935 60 Q CA -0.031 55.450 55.803 -0.537 0.000 0.887 60 Q CB 1.320 29.635 28.738 -0.705 0.000 1.223 60 Q HN 0.668 nan 8.270 nan 0.000 0.439 61 M N -1.359 117.716 119.600 -0.876 0.000 2.956 61 M HA 0.376 4.856 4.480 -0.000 0.000 0.272 61 M C -2.090 173.992 176.300 -0.362 0.000 1.132 61 M CA -0.987 54.047 55.300 -0.443 0.000 0.805 61 M CB 1.126 33.654 32.600 -0.120 0.000 1.639 61 M HN 0.482 nan 8.290 nan 0.000 0.520 62 W N 2.198 123.618 121.300 0.199 0.000 2.287 62 W HA 0.576 5.236 4.660 -0.000 0.000 0.313 62 W C 0.048 176.604 176.519 0.061 0.000 1.267 62 W CA 0.052 57.526 57.345 0.216 0.000 1.201 62 W CB 1.167 30.884 29.460 0.427 0.000 1.196 62 W HN 0.627 nan 8.180 nan 0.000 0.536 63 V N 1.065 121.090 119.914 0.185 0.000 3.165 63 V HA 0.572 4.692 4.120 -0.000 0.000 0.309 63 V C -2.080 174.060 176.094 0.076 0.000 1.267 63 V CA -1.469 60.878 62.300 0.079 0.000 1.067 63 V CB 2.188 33.971 31.823 -0.066 0.000 1.082 63 V HN 0.349 nan 8.190 nan 0.000 0.451 64 Y N 0.977 121.244 120.300 -0.056 0.000 2.363 64 Y HA 0.648 5.198 4.550 -0.000 0.000 0.325 64 Y C -0.713 175.140 175.900 -0.078 0.000 0.984 64 Y CA -0.763 57.270 58.100 -0.113 0.000 1.248 64 Y CB 1.052 39.405 38.460 -0.179 0.000 1.116 64 Y HN 0.828 nan 8.280 nan 0.000 0.470 65 D N 4.139 124.362 120.400 -0.295 0.000 2.177 65 D HA 0.110 4.750 4.640 -0.000 0.000 0.247 65 D C -0.525 175.656 176.300 -0.198 0.000 1.063 65 D CA -0.390 53.520 54.000 -0.151 0.000 0.867 65 D CB 1.723 42.428 40.800 -0.158 0.000 1.168 65 D HN 0.558 nan 8.370 nan 0.000 0.445 66 E N 1.075 121.290 120.200 0.025 0.000 2.392 66 E HA 0.008 4.358 4.350 -0.000 0.000 0.264 66 E C -0.163 176.424 176.600 -0.021 0.000 1.024 66 E CA 0.253 56.704 56.400 0.085 0.000 0.903 66 E CB 0.252 30.021 29.700 0.115 0.000 0.963 66 E HN 0.296 nan 8.360 nan 0.000 0.432 67 D N 1.930 122.321 120.400 -0.015 0.000 3.077 67 D HA -0.157 4.483 4.640 -0.000 0.000 0.212 67 D C 0.347 176.590 176.300 -0.094 0.000 1.125 67 D CA 1.043 55.021 54.000 -0.037 0.000 0.970 67 D CB -1.331 39.457 40.800 -0.019 0.000 1.110 67 D HN 0.248 nan 8.370 nan 0.000 0.419 68 V N -1.718 118.083 119.914 -0.189 0.000 3.161 68 V HA 0.500 4.619 4.120 -0.000 0.000 0.228 68 V C 1.374 177.258 176.094 -0.351 0.000 1.415 68 V CA 0.959 63.126 62.300 -0.222 0.000 1.285 68 V CB 0.825 32.523 31.823 -0.210 0.000 1.100 68 V HN 0.619 nan 8.190 nan 0.000 0.478 69 G N 0.903 109.278 108.800 -0.707 0.000 2.587 69 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.212 69 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.212 69 G C -0.433 173.922 174.900 -0.908 0.000 1.327 69 G CA -0.256 44.208 45.100 -1.060 0.000 0.898 69 G HN 0.307 nan 8.290 nan 0.000 0.551 70 I N 2.374 122.607 120.570 -0.561 0.000 2.598 70 I HA 0.317 4.487 4.170 -0.000 0.000 0.284 70 I C 0.588 176.661 176.117 -0.073 0.000 1.140 70 I CA 0.636 61.752 61.300 -0.307 0.000 1.420 70 I CB 0.156 37.872 38.000 -0.474 0.000 1.387 70 I HN 0.790 nan 8.210 nan 0.000 0.553 71 N N 4.920 123.655 118.700 0.059 0.000 2.484 71 N HA 0.273 5.013 4.740 -0.000 0.000 0.269 71 N C -1.443 173.997 175.510 -0.118 0.000 1.237 71 N CA -0.939 52.151 53.050 0.067 0.000 0.838 71 N CB 1.068 39.512 38.487 -0.072 0.000 1.593 71 N HN 0.317 nan 8.380 nan 0.000 0.485 72 Y N 1.404 121.310 120.300 -0.657 0.000 2.367 72 Y HA 0.501 5.051 4.550 -0.000 0.000 0.342 72 Y C -0.137 175.474 175.900 -0.482 0.000 0.979 72 Y CA -0.285 57.240 58.100 -0.958 0.000 1.161 72 Y CB 0.466 38.018 38.460 -1.513 0.000 1.155 72 Y HN 0.820 nan 8.280 nan 0.000 0.503 73 R N 3.249 123.356 120.500 -0.655 0.000 2.766 73 R HA 0.404 4.744 4.340 -0.000 0.000 0.270 73 R C -1.413 174.610 176.300 -0.462 0.000 1.035 73 R CA -1.165 54.662 56.100 -0.455 0.000 0.911 73 R CB 1.167 31.308 30.300 -0.264 0.000 1.243 73 R HN 0.585 nan 8.270 nan 0.000 0.460 74 E N 1.274 121.293 120.200 -0.301 0.000 2.360 74 E HA 0.303 4.653 4.350 -0.000 0.000 0.269 74 E C -1.104 175.395 176.600 -0.168 0.000 1.022 74 E CA -0.430 55.837 56.400 -0.221 0.000 0.887 74 E CB 1.113 30.728 29.700 -0.143 0.000 0.990 74 E HN 0.347 nan 8.360 nan 0.000 0.426 75 V N 3.156 122.998 119.914 -0.120 0.000 3.049 75 V HA 0.321 4.441 4.120 -0.000 0.000 0.309 75 V C -0.643 175.495 176.094 0.073 0.000 1.148 75 V CA -0.842 61.421 62.300 -0.062 0.000 0.990 75 V CB 2.634 34.368 31.823 -0.149 0.000 1.039 75 V HN 0.740 nan 8.190 nan 0.000 0.430 76 T N 5.048 119.661 114.554 0.098 0.000 2.833 76 T HA 0.766 5.116 4.350 -0.000 0.000 0.297 76 T C -0.897 173.931 174.700 0.213 0.000 1.015 76 T CA -0.204 61.972 62.100 0.128 0.000 0.963 76 T CB 0.472 69.362 68.868 0.038 0.000 0.955 76 T HN 0.627 nan 8.240 nan 0.000 0.449 77 F N 0.988 120.901 119.950 -0.062 0.000 2.745 77 F HA 0.850 5.376 4.527 -0.000 0.000 0.316 77 F C -1.885 173.890 175.800 -0.042 0.000 1.155 77 F CA -1.678 56.281 58.000 -0.068 0.000 0.937 77 F CB 0.663 39.592 39.000 -0.118 0.000 1.361 77 F HN 0.151 nan 8.300 nan 0.000 0.472 78 V N 3.034 122.800 119.914 -0.247 0.000 2.334 78 V HA 0.321 4.441 4.120 -0.000 0.000 0.281 78 V C -1.549 174.399 176.094 -0.243 0.000 1.016 78 V CA -1.550 60.557 62.300 -0.322 0.000 0.832 78 V CB 1.279 33.018 31.823 -0.141 0.000 0.999 78 V HN 0.741 nan 8.190 nan 0.000 0.439 79 P HA -0.172 nan 4.420 nan 0.000 0.216 79 P C 1.648 178.967 177.300 0.032 0.000 1.153 79 P CA 1.890 65.029 63.100 0.066 0.000 0.858 79 P CB 0.279 31.979 31.700 -0.000 0.000 0.789 80 G N 0.360 109.092 108.800 -0.114 0.000 2.469 80 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 80 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 80 G C 1.564 176.216 174.900 -0.415 0.000 1.136 80 G CA 0.845 45.837 45.100 -0.180 0.000 0.759 80 G HN 0.279 nan 8.290 nan 0.000 0.562 81 L N -0.767 119.955 121.223 -0.835 0.000 2.072 81 L HA 0.066 4.406 4.340 -0.000 0.000 0.205 81 L C 2.454 179.291 176.870 -0.055 0.000 1.079 81 L CA 1.498 55.858 54.840 -0.799 0.000 0.752 81 L CB -0.817 40.731 42.059 -0.852 0.000 0.906 81 L HN 0.276 nan 8.230 nan 0.000 0.436 82 Y N 0.721 120.990 120.300 -0.052 0.000 2.207 82 Y HA -0.255 4.295 4.550 -0.000 0.000 0.287 82 Y C 2.552 178.564 175.900 0.188 0.000 1.156 82 Y CA 2.145 60.319 58.100 0.124 0.000 1.182 82 Y CB -0.412 38.173 38.460 0.209 0.000 0.979 82 Y HN 0.286 nan 8.280 nan 0.000 0.521 83 K N 1.220 121.663 120.400 0.071 0.000 2.062 83 K HA -0.089 4.230 4.320 -0.000 0.000 0.205 83 K C 2.056 178.668 176.600 0.021 0.000 1.051 83 K CA 1.892 58.155 56.287 -0.041 0.000 0.941 83 K CB -1.008 31.460 32.500 -0.053 0.000 0.719 83 K HN 0.567 nan 8.250 nan 0.000 0.440 84 I N -1.673 118.934 120.570 0.062 0.000 2.454 84 I HA -0.109 4.061 4.170 -0.000 0.000 0.254 84 I C 2.108 178.274 176.117 0.081 0.000 1.156 84 I CA 1.149 62.480 61.300 0.052 0.000 1.433 84 I CB -0.508 37.543 38.000 0.085 0.000 1.082 84 I HN 0.017 nan 8.210 nan 0.000 0.432 85 F N 2.863 122.885 119.950 0.119 0.000 2.113 85 F HA -0.188 4.339 4.527 -0.000 0.000 0.297 85 F C 2.069 177.960 175.800 0.152 0.000 1.103 85 F CA 2.080 60.246 58.000 0.277 0.000 1.248 85 F CB -0.526 38.683 39.000 0.349 0.000 0.999 85 F HN 0.147 nan 8.300 nan 0.000 0.475 86 D N 0.073 120.499 120.400 0.045 0.000 2.123 86 D HA -0.210 4.429 4.640 -0.000 0.000 0.196 86 D C 2.038 178.251 176.300 -0.145 0.000 0.992 86 D CA 1.673 55.597 54.000 -0.127 0.000 0.833 86 D CB -0.183 40.530 40.800 -0.144 0.000 0.954 86 D HN 0.328 nan 8.370 nan 0.000 0.455 87 E N -0.008 120.135 120.200 -0.094 0.000 2.058 87 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 87 E C 2.288 178.844 176.600 -0.073 0.000 0.997 87 E CA 0.643 56.994 56.400 -0.081 0.000 0.801 87 E CB -0.201 29.467 29.700 -0.054 0.000 0.746 87 E HN 0.447 nan 8.360 nan 0.000 0.450 88 I N 0.721 121.250 120.570 -0.069 0.000 2.315 88 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 88 I C 2.490 178.566 176.117 -0.069 0.000 1.117 88 I CA 0.596 61.891 61.300 -0.009 0.000 1.404 88 I CB -1.050 36.993 38.000 0.071 0.000 1.071 88 I HN 0.102 nan 8.210 nan 0.000 0.419 89 L N 0.637 121.735 121.223 -0.208 0.000 2.027 89 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 89 L C 2.495 179.298 176.870 -0.113 0.000 1.074 89 L CA 1.611 56.323 54.840 -0.214 0.000 0.745 89 L CB -0.588 41.234 42.059 -0.395 0.000 0.898 89 L HN -0.039 nan 8.230 nan 0.000 0.433 90 V N 0.158 120.008 119.914 -0.107 0.000 2.407 90 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 90 V C 2.341 178.395 176.094 -0.066 0.000 1.055 90 V CA 1.644 63.897 62.300 -0.080 0.000 1.049 90 V CB -0.920 30.851 31.823 -0.087 0.000 0.662 90 V HN 0.501 nan 8.190 nan 0.000 0.455 91 N N 0.620 119.287 118.700 -0.056 0.000 2.149 91 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 91 N C 1.875 177.368 175.510 -0.029 0.000 1.019 91 N CA 1.676 54.702 53.050 -0.040 0.000 0.857 91 N CB -0.466 38.019 38.487 -0.003 0.000 0.997 91 N HN 0.509 nan 8.380 nan 0.000 0.426 92 A N 0.836 123.643 122.820 -0.023 0.000 1.873 92 A HA 0.063 4.383 4.320 -0.000 0.000 0.215 92 A C 2.348 179.912 177.584 -0.033 0.000 1.186 92 A CA 1.887 53.910 52.037 -0.022 0.000 0.616 92 A CB -0.949 18.050 19.000 -0.003 0.000 0.823 92 A HN 0.296 nan 8.150 nan 0.000 0.442 93 A N 0.032 122.829 122.820 -0.038 0.000 1.940 93 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 93 A C 1.710 179.264 177.584 -0.050 0.000 1.176 93 A CA 1.913 53.923 52.037 -0.045 0.000 0.631 93 A CB -0.627 18.338 19.000 -0.057 0.000 0.814 93 A HN 0.475 nan 8.150 nan 0.000 0.446 94 D N -0.276 120.092 120.400 -0.053 0.000 2.182 94 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 94 D C 1.647 177.916 176.300 -0.051 0.000 0.986 94 D CA 1.392 55.359 54.000 -0.055 0.000 0.847 94 D CB -0.449 40.313 40.800 -0.062 0.000 0.942 94 D HN 0.491 nan 8.370 nan 0.000 0.467 95 N N 0.523 119.193 118.700 -0.049 0.000 2.364 95 N HA -0.161 4.579 4.740 -0.000 0.000 0.183 95 N C 1.453 176.938 175.510 -0.040 0.000 1.022 95 N CA 0.744 53.765 53.050 -0.048 0.000 0.883 95 N CB 0.039 38.492 38.487 -0.057 0.000 0.965 95 N HN -0.067 nan 8.380 nan 0.000 0.438 96 K N 0.222 120.600 120.400 -0.037 0.000 2.211 96 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 96 K C 1.579 178.162 176.600 -0.029 0.000 1.050 96 K CA 1.186 57.456 56.287 -0.028 0.000 0.945 96 K CB -0.013 32.470 32.500 -0.028 0.000 0.732 96 K HN 0.155 nan 8.250 nan 0.000 0.451 97 Q N -0.120 119.658 119.800 -0.036 0.000 2.137 97 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 97 Q C 2.119 178.102 176.000 -0.029 0.000 0.960 97 Q CA 1.216 56.998 55.803 -0.034 0.000 0.847 97 Q CB -0.207 28.506 28.738 -0.042 0.000 0.915 97 Q HN 0.394 nan 8.270 nan 0.000 0.448 98 R N 0.789 121.269 120.500 -0.032 0.000 2.075 98 R HA -0.096 4.243 4.340 -0.000 0.000 0.232 98 R C -0.149 176.139 176.300 -0.019 0.000 1.126 98 R CA 1.389 57.472 56.100 -0.028 0.000 0.963 98 R CB 0.260 30.538 30.300 -0.037 0.000 0.858 98 R HN -0.034 nan 8.270 nan 0.000 0.435 99 D N -0.935 119.454 120.400 -0.018 0.000 2.389 99 D HA 0.232 4.872 4.640 -0.000 0.000 0.256 99 D C -2.229 174.067 176.300 -0.006 0.000 1.239 99 D CA -2.511 51.484 54.000 -0.009 0.000 0.925 99 D CB 1.939 42.734 40.800 -0.008 0.000 1.145 99 D HN -0.103 nan 8.370 nan 0.000 0.542 100 P HA -0.080 nan 4.420 nan 0.000 0.226 100 P C 0.668 177.973 177.300 0.009 0.000 1.146 100 P CA 0.914 64.015 63.100 0.001 0.000 0.773 100 P CB 0.271 31.972 31.700 0.002 0.000 0.772 101 K N -1.564 118.844 120.400 0.013 0.000 2.459 101 K HA 0.079 4.399 4.320 -0.000 0.000 0.193 101 K C 1.088 177.706 176.600 0.029 0.000 1.030 101 K CA -0.051 56.250 56.287 0.023 0.000 1.026 101 K CB -0.199 32.317 32.500 0.027 0.000 0.809 101 K HN 0.271 nan 8.250 nan 0.000 0.504 102 M N 1.143 120.754 119.600 0.017 0.000 2.249 102 M HA -0.098 4.382 4.480 -0.000 0.000 0.340 102 M C 0.659 176.984 176.300 0.042 0.000 1.166 102 M CA 0.820 56.131 55.300 0.017 0.000 1.115 102 M CB 0.719 33.315 32.600 -0.007 0.000 1.606 102 M HN 0.054 nan 8.290 nan 0.000 0.448 103 S N 2.227 117.972 115.700 0.075 0.000 2.651 103 S HA 0.295 4.765 4.470 -0.000 0.000 0.259 103 S C -0.119 174.573 174.600 0.153 0.000 1.073 103 S CA -0.539 57.722 58.200 0.101 0.000 1.090 103 S CB 0.099 63.366 63.200 0.111 0.000 1.042 103 S HN 0.775 nan 8.310 nan 0.000 0.581 104 C N 1.094 120.518 119.300 0.207 0.000 3.090 104 C HA 0.730 5.190 4.460 -0.000 0.000 0.305 104 C C -0.944 174.247 174.990 0.335 0.000 1.292 104 C CA -0.977 58.234 59.018 0.321 0.000 1.482 104 C CB 1.272 29.289 27.740 0.462 0.000 1.897 104 C HN 0.569 nan 8.230 nan 0.000 0.469 105 I N 1.635 122.420 120.570 0.359 0.000 2.499 105 I HA 0.484 4.654 4.170 -0.000 0.000 0.288 105 I C -0.489 175.867 176.117 0.398 0.000 1.048 105 I CA -0.425 61.072 61.300 0.329 0.000 1.062 105 I CB 1.468 39.570 38.000 0.170 0.000 1.238 105 I HN 0.578 nan 8.210 nan 0.000 0.426 106 R N 5.196 125.954 120.500 0.430 0.000 2.393 106 R HA 0.717 5.056 4.340 -0.000 0.000 0.315 106 R C -1.272 175.159 176.300 0.219 0.000 0.952 106 R CA -0.743 55.513 56.100 0.260 0.000 0.842 106 R CB 2.582 32.867 30.300 -0.024 0.000 1.163 106 R HN 0.288 nan 8.270 nan 0.000 0.450 107 V N 2.296 122.320 119.914 0.184 0.000 2.555 107 V HA 0.443 4.563 4.120 -0.000 0.000 0.302 107 V C -0.128 176.044 176.094 0.130 0.000 1.038 107 V CA -0.591 61.819 62.300 0.183 0.000 0.887 107 V CB 2.187 34.151 31.823 0.235 0.000 0.991 107 V HN 0.738 nan 8.190 nan 0.000 0.434 108 T N 5.946 120.565 114.554 0.109 0.000 2.812 108 T HA 0.675 5.025 4.350 -0.000 0.000 0.282 108 T C -0.527 174.198 174.700 0.042 0.000 0.990 108 T CA -0.152 61.980 62.100 0.052 0.000 0.960 108 T CB 0.939 69.813 68.868 0.010 0.000 0.948 108 T HN 0.422 nan 8.240 nan 0.000 0.438 109 I N 3.124 123.707 120.570 0.021 0.000 2.439 109 I HA 0.319 4.488 4.170 -0.000 0.000 0.283 109 I C -0.753 175.350 176.117 -0.023 0.000 1.023 109 I CA -0.690 60.601 61.300 -0.016 0.000 1.100 109 I CB 1.613 39.594 38.000 -0.032 0.000 1.238 109 I HN 0.468 nan 8.210 nan 0.000 0.445 110 D N 8.897 129.276 120.400 -0.034 0.000 2.462 110 D HA 0.328 4.968 4.640 -0.000 0.000 0.249 110 D C -1.909 174.379 176.300 -0.020 0.000 1.117 110 D CA -2.241 51.745 54.000 -0.023 0.000 0.900 110 D CB 1.872 42.659 40.800 -0.022 0.000 1.039 110 D HN 0.109 nan 8.370 nan 0.000 0.516 111 P HA -0.161 nan 4.420 nan 0.000 0.214 111 P C 1.095 178.398 177.300 0.004 0.000 1.163 111 P CA 1.208 64.305 63.100 -0.006 0.000 0.889 111 P CB 0.419 32.116 31.700 -0.005 0.000 0.790 112 E N -0.569 119.633 120.200 0.003 0.000 2.086 112 E HA -0.233 4.117 4.350 -0.000 0.000 0.205 112 E C 1.140 177.746 176.600 0.010 0.000 1.027 112 E CA 1.495 57.899 56.400 0.007 0.000 0.830 112 E CB -0.707 28.995 29.700 0.003 0.000 0.751 112 E HN 0.440 nan 8.360 nan 0.000 0.456 113 N N 0.758 119.461 118.700 0.005 0.000 2.276 113 N HA -0.005 4.735 4.740 -0.000 0.000 0.212 113 N C -0.420 175.097 175.510 0.013 0.000 1.127 113 N CA -0.250 52.805 53.050 0.009 0.000 0.834 113 N CB 0.169 38.657 38.487 0.002 0.000 1.014 113 N HN 0.069 nan 8.380 nan 0.000 0.491 114 N N 1.614 120.323 118.700 0.014 0.000 2.689 114 N HA -0.205 4.535 4.740 -0.000 0.000 0.263 114 N C -1.358 174.151 175.510 -0.001 0.000 0.987 114 N CA 0.523 53.587 53.050 0.023 0.000 0.782 114 N CB -0.759 37.763 38.487 0.058 0.000 0.903 114 N HN 0.394 nan 8.380 nan 0.000 0.547 115 L N 1.299 122.496 121.223 -0.044 0.000 2.436 115 L HA 0.689 5.029 4.340 -0.000 0.000 0.268 115 L C -0.900 175.871 176.870 -0.165 0.000 0.974 115 L CA -0.893 53.891 54.840 -0.095 0.000 0.826 115 L CB 1.153 43.182 42.059 -0.050 0.000 1.291 115 L HN 0.131 nan 8.230 nan 0.000 0.406 116 I N 3.388 123.752 120.570 -0.344 0.000 2.498 116 I HA 0.422 4.592 4.170 -0.000 0.000 0.290 116 I C -0.637 175.308 176.117 -0.286 0.000 1.032 116 I CA -0.374 60.712 61.300 -0.356 0.000 1.073 116 I CB 2.223 39.859 38.000 -0.607 0.000 1.251 116 I HN 0.503 nan 8.210 nan 0.000 0.426 117 S N 6.673 122.346 115.700 -0.046 0.000 2.521 117 S HA 0.743 5.213 4.470 -0.000 0.000 0.295 117 S C -0.940 173.750 174.600 0.149 0.000 1.098 117 S CA -0.468 57.761 58.200 0.048 0.000 0.999 117 S CB 1.164 64.386 63.200 0.037 0.000 1.034 117 S HN 0.451 nan 8.310 nan 0.000 0.483 118 I N 3.968 124.653 120.570 0.192 0.000 2.468 118 I HA 0.391 4.561 4.170 -0.000 0.000 0.284 118 I C -1.128 175.137 176.117 0.247 0.000 1.038 118 I CA -0.489 60.937 61.300 0.210 0.000 1.083 118 I CB 1.437 39.539 38.000 0.169 0.000 1.223 118 I HN 0.703 nan 8.210 nan 0.000 0.443 119 W N 8.625 129.957 121.300 0.053 0.000 2.627 119 W HA 0.568 5.228 4.660 -0.000 0.000 0.339 119 W C -1.026 175.530 176.519 0.062 0.000 1.058 119 W CA -0.216 57.162 57.345 0.054 0.000 1.223 119 W CB 1.369 30.839 29.460 0.016 0.000 1.389 119 W HN 0.535 nan 8.180 nan 0.000 0.541 120 N N 3.373 121.757 118.700 -0.525 0.000 2.405 120 N HA 0.283 5.022 4.740 -0.000 0.000 0.274 120 N C -1.399 173.469 175.510 -1.070 0.000 1.170 120 N CA -0.708 52.016 53.050 -0.544 0.000 0.848 120 N CB 1.398 39.767 38.487 -0.195 0.000 1.629 120 N HN 0.600 nan 8.380 nan 0.000 0.481 121 N N 0.230 118.505 118.700 -0.709 0.000 2.620 121 N HA 0.701 5.441 4.740 -0.000 0.000 0.307 121 N C 0.720 176.120 175.510 -0.183 0.000 1.316 121 N CA 0.539 53.325 53.050 -0.440 0.000 0.931 121 N CB -0.280 38.145 38.487 -0.103 0.000 1.116 121 N HN 1.009 nan 8.380 nan 0.000 0.573 122 G N -1.266 107.496 108.800 -0.064 0.000 2.757 122 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.638 122 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.638 122 G C -0.858 174.020 174.900 -0.038 0.000 1.344 122 G CA -0.385 44.697 45.100 -0.031 0.000 0.855 122 G HN 0.813 nan 8.290 nan 0.000 0.537 123 K N 0.278 120.667 120.400 -0.017 0.000 2.530 123 K HA 0.351 4.671 4.320 -0.000 0.000 0.280 123 K C 1.355 177.920 176.600 -0.058 0.000 1.004 123 K CA 0.942 57.222 56.287 -0.012 0.000 1.071 123 K CB -0.115 32.387 32.500 0.003 0.000 0.876 123 K HN 1.064 nan 8.250 nan 0.000 0.487 124 G N 3.471 112.229 108.800 -0.070 0.000 2.580 124 G HA2 0.315 4.275 3.960 -0.000 0.000 0.278 124 G HA3 0.315 4.275 3.960 -0.000 0.000 0.278 124 G C -0.212 174.624 174.900 -0.106 0.000 1.212 124 G CA -0.856 44.157 45.100 -0.146 0.000 0.939 124 G HN 0.628 nan 8.290 nan 0.000 0.513 125 I N 1.272 121.761 120.570 -0.134 0.000 2.496 125 I HA 0.140 4.310 4.170 -0.000 0.000 0.285 125 I C -1.867 174.143 176.117 -0.179 0.000 1.080 125 I CA -1.522 59.702 61.300 -0.126 0.000 1.404 125 I CB 1.554 39.493 38.000 -0.101 0.000 1.403 125 I HN 0.177 nan 8.210 nan 0.000 0.539 126 P HA -0.071 nan 4.420 nan 0.000 0.256 126 P C -0.406 176.624 177.300 -0.450 0.000 1.173 126 P CA 0.178 62.956 63.100 -0.538 0.000 0.768 126 P CB 0.114 31.425 31.700 -0.649 0.000 0.758 127 V N 6.038 125.756 119.914 -0.327 0.000 2.096 127 V HA 0.201 4.321 4.120 -0.000 0.000 0.259 127 V C 0.498 176.625 176.094 0.056 0.000 1.420 127 V CA 0.157 62.461 62.300 0.007 0.000 1.336 127 V CB 0.196 32.111 31.823 0.153 0.000 1.394 127 V HN 0.329 nan 8.190 nan 0.000 0.494 128 V N 2.542 122.319 119.914 -0.229 0.000 3.147 128 V HA 0.505 4.625 4.120 -0.000 0.000 0.306 128 V C -0.434 175.189 176.094 -0.784 0.000 1.209 128 V CA -0.746 61.290 62.300 -0.440 0.000 1.023 128 V CB 2.606 34.254 31.823 -0.292 0.000 1.059 128 V HN 0.756 nan 8.190 nan 0.000 0.435 129 E N 3.465 123.085 120.200 -0.966 0.000 2.344 129 E HA 0.137 4.487 4.350 -0.000 0.000 0.270 129 E C -0.589 175.863 176.600 -0.247 0.000 1.021 129 E CA -0.347 55.659 56.400 -0.656 0.000 0.887 129 E CB 0.411 29.843 29.700 -0.447 0.000 0.997 129 E HN 0.778 nan 8.360 nan 0.000 0.429 130 H N 4.734 123.689 119.070 -0.191 0.000 2.819 130 H HA 0.045 4.601 4.556 -0.000 0.000 0.303 130 H C 0.371 175.656 175.328 -0.071 0.000 1.058 130 H CA 0.586 56.569 56.048 -0.108 0.000 1.471 130 H CB 0.867 30.588 29.762 -0.069 0.000 1.480 130 H HN 0.616 nan 8.280 nan 0.000 0.517 131 K N 3.142 123.498 120.400 -0.074 0.000 2.360 131 K HA -0.051 4.269 4.320 -0.000 0.000 0.201 131 K C 1.576 178.242 176.600 0.111 0.000 1.046 131 K CA 0.806 57.096 56.287 0.004 0.000 0.945 131 K CB 0.616 33.080 32.500 -0.059 0.000 0.750 131 K HN 0.307 nan 8.250 nan 0.000 0.464 132 V N 0.608 120.717 119.914 0.324 0.000 2.690 132 V HA -0.056 4.063 4.120 -0.000 0.000 0.240 132 V C 1.623 177.790 176.094 0.121 0.000 1.078 132 V CA 1.007 63.441 62.300 0.225 0.000 1.102 132 V CB 0.091 32.069 31.823 0.258 0.000 0.800 132 V HN 0.129 nan 8.190 nan 0.000 0.479 133 E N 0.083 120.321 120.200 0.063 0.000 2.481 133 E HA 0.000 4.350 4.350 -0.000 0.000 0.195 133 E C 0.253 176.860 176.600 0.012 0.000 1.047 133 E CA 0.000 56.351 56.400 -0.082 0.000 0.867 133 E CB -0.035 29.478 29.700 -0.311 0.000 0.858 133 E HN 0.380 nan 8.360 nan 0.000 0.513 134 K N -0.072 120.371 120.400 0.071 0.000 3.096 134 K HA -0.196 4.124 4.320 -0.000 0.000 0.266 134 K C 0.288 176.941 176.600 0.089 0.000 1.043 134 K CA 0.895 57.224 56.287 0.069 0.000 0.758 134 K CB -2.606 29.926 32.500 0.053 0.000 1.260 134 K HN 0.471 nan 8.250 nan 0.000 0.481 135 M N -3.825 115.838 119.600 0.106 0.000 2.643 135 M HA 0.399 4.879 4.480 -0.000 0.000 0.276 135 M C -0.913 175.496 176.300 0.182 0.000 1.200 135 M CA -1.219 54.188 55.300 0.179 0.000 0.863 135 M CB 1.261 33.964 32.600 0.171 0.000 1.711 135 M HN -0.128 nan 8.290 nan 0.000 0.492 136 Y N 1.184 121.565 120.300 0.134 0.000 2.610 136 Y HA 0.118 4.667 4.550 -0.000 0.000 0.332 136 Y C 1.601 177.518 175.900 0.028 0.000 1.201 136 Y CA 0.517 58.679 58.100 0.104 0.000 1.465 136 Y CB 0.659 39.244 38.460 0.208 0.000 1.283 136 Y HN 0.568 nan 8.280 nan 0.000 0.563 137 V N 5.457 125.385 119.914 0.023 0.000 2.250 137 V HA -0.341 3.779 4.120 -0.000 0.000 0.253 137 V C -0.677 175.381 176.094 -0.060 0.000 1.065 137 V CA 2.380 64.669 62.300 -0.017 0.000 1.039 137 V CB -1.589 30.178 31.823 -0.093 0.000 0.647 137 V HN 0.691 nan 8.190 nan 0.000 0.446 138 P HA -0.169 nan 4.420 nan 0.000 0.216 138 P C 1.659 178.973 177.300 0.024 0.000 1.153 138 P CA 2.110 65.007 63.100 -0.339 0.000 0.858 138 P CB -0.176 30.666 31.700 -1.431 0.000 0.789 139 A N -1.149 121.748 122.820 0.129 0.000 1.969 139 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 139 A C 2.085 179.886 177.584 0.362 0.000 1.169 139 A CA 1.194 53.563 52.037 0.554 0.000 0.635 139 A CB -1.520 17.815 19.000 0.559 0.000 0.810 139 A HN 0.152 nan 8.150 nan 0.000 0.445 140 L N 0.701 122.025 121.223 0.168 0.000 1.988 140 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 140 L C 2.203 179.052 176.870 -0.035 0.000 1.071 140 L CA 2.270 57.138 54.840 0.047 0.000 0.744 140 L CB -0.485 41.549 42.059 -0.041 0.000 0.893 140 L HN 0.556 nan 8.230 nan 0.000 0.433 141 I N -4.489 116.028 120.570 -0.088 0.000 3.291 141 I HA -0.057 4.113 4.170 -0.000 0.000 0.279 141 I C 1.196 177.020 176.117 -0.488 0.000 1.294 141 I CA 1.071 62.204 61.300 -0.279 0.000 1.428 141 I CB -0.403 37.390 38.000 -0.345 0.000 1.070 141 I HN 0.140 nan 8.210 nan 0.000 0.478 142 F N 1.247 121.092 119.950 -0.174 0.000 2.746 142 F HA 0.424 4.950 4.527 -0.000 0.000 0.313 142 F C 2.149 177.597 175.800 -0.587 0.000 1.095 142 F CA 0.324 58.136 58.000 -0.313 0.000 1.224 142 F CB 0.884 39.740 39.000 -0.241 0.000 1.060 142 F HN 0.063 nan 8.300 nan 0.000 0.584 143 G N -1.048 107.627 108.800 -0.208 0.000 3.228 143 G HA2 0.187 4.146 3.960 -0.000 0.000 0.245 143 G HA3 0.187 4.146 3.960 -0.000 0.000 0.245 143 G C 0.215 175.089 174.900 -0.044 0.000 1.051 143 G CA 0.051 45.040 45.100 -0.184 0.000 0.809 143 G HN 0.017 nan 8.290 nan 0.000 0.531 144 Q N 0.639 120.385 119.800 -0.090 0.000 2.323 144 Q HA 0.399 4.739 4.340 -0.000 0.000 0.271 144 Q C -0.595 175.311 176.000 -0.158 0.000 1.048 144 Q CA -0.529 55.223 55.803 -0.086 0.000 0.792 144 Q CB 2.805 31.511 28.738 -0.055 0.000 1.280 144 Q HN 0.123 nan 8.270 nan 0.000 0.441 145 L N 2.525 123.649 121.223 -0.164 0.000 2.483 145 L HA 0.084 4.424 4.340 -0.000 0.000 0.275 145 L C 0.899 177.608 176.870 -0.268 0.000 1.220 145 L CA 0.028 54.716 54.840 -0.253 0.000 0.833 145 L CB 0.101 42.032 42.059 -0.213 0.000 1.102 145 L HN 0.692 nan 8.230 nan 0.000 0.490 146 L N 0.606 121.582 121.223 -0.412 0.000 3.608 146 L HA -0.185 4.155 4.340 -0.000 0.000 0.422 146 L C -0.228 176.649 176.870 0.012 0.000 1.260 146 L CA 0.186 54.895 54.840 -0.217 0.000 0.889 146 L CB -2.338 39.609 42.059 -0.186 0.000 1.821 146 L HN 0.840 nan 8.230 nan 0.000 0.884 147 T N -2.955 111.539 114.554 -0.099 0.000 2.824 147 T HA 0.764 5.114 4.350 -0.000 0.000 0.282 147 T C -0.176 174.342 174.700 -0.303 0.000 0.993 147 T CA -0.152 61.881 62.100 -0.112 0.000 0.967 147 T CB 2.788 71.553 68.868 -0.172 0.000 0.960 147 T HN 0.293 nan 8.240 nan 0.000 0.441 148 S N 0.799 116.242 115.700 -0.429 0.000 2.595 148 S HA 0.550 5.020 4.470 -0.000 0.000 0.270 148 S C 0.265 174.591 174.600 -0.457 0.000 1.145 148 S CA -0.102 57.730 58.200 -0.613 0.000 0.825 148 S CB 1.057 63.593 63.200 -1.107 0.000 1.107 148 S HN 1.200 nan 8.310 nan 0.000 0.461 149 S N 1.283 116.777 115.700 -0.343 0.000 2.554 149 S HA 0.307 4.777 4.470 -0.000 0.000 0.226 149 S C 0.251 174.742 174.600 -0.182 0.000 0.980 149 S CA -0.397 57.684 58.200 -0.199 0.000 0.939 149 S CB -0.318 62.796 63.200 -0.143 0.000 0.832 149 S HN 0.589 nan 8.310 nan 0.000 0.486 150 N N 0.790 119.317 118.700 -0.287 0.000 2.273 150 N HA 0.211 4.951 4.740 -0.000 0.000 0.231 150 N C -0.536 174.929 175.510 -0.075 0.000 1.134 150 N CA 0.014 52.962 53.050 -0.171 0.000 0.856 150 N CB 0.088 38.480 38.487 -0.159 0.000 1.068 150 N HN 0.357 nan 8.380 nan 0.000 0.510 151 Y N 0.504 120.790 120.300 -0.024 0.000 2.529 151 Y HA 0.093 4.643 4.550 -0.000 0.000 0.290 151 Y C 0.677 176.571 175.900 -0.011 0.000 1.177 151 Y CA -0.367 57.723 58.100 -0.017 0.000 1.305 151 Y CB 0.057 38.502 38.460 -0.025 0.000 1.047 151 Y HN -0.056 nan 8.280 nan 0.000 0.522 152 D N 0.126 120.602 120.400 0.125 0.000 2.454 152 D HA 0.108 4.748 4.640 -0.000 0.000 0.225 152 D C -0.125 176.204 176.300 0.048 0.000 1.081 152 D CA -0.112 53.932 54.000 0.073 0.000 0.864 152 D CB 0.530 41.359 40.800 0.049 0.000 1.040 152 D HN -0.006 nan 8.370 nan 0.000 0.517 153 D N 2.102 122.531 120.400 0.047 0.000 2.349 153 D HA -0.032 4.608 4.640 -0.000 0.000 0.224 153 D C 0.779 177.092 176.300 0.021 0.000 1.029 153 D CA 0.144 54.163 54.000 0.033 0.000 0.879 153 D CB 0.424 41.245 40.800 0.035 0.000 0.906 153 D HN 0.454 nan 8.370 nan 0.000 0.528 154 D N 0.737 121.148 120.400 0.019 0.000 2.312 154 D HA -0.058 4.582 4.640 -0.000 0.000 0.211 154 D C 0.172 176.479 176.300 0.011 0.000 0.964 154 D CA 0.606 54.614 54.000 0.013 0.000 0.877 154 D CB 0.260 41.067 40.800 0.011 0.000 0.924 154 D HN 0.408 nan 8.370 nan 0.000 0.515 155 E N 1.450 121.657 120.200 0.012 0.000 2.194 155 E HA 0.132 4.482 4.350 -0.000 0.000 0.284 155 E C -0.098 176.506 176.600 0.007 0.000 1.035 155 E CA -0.470 55.934 56.400 0.007 0.000 0.836 155 E CB 0.952 30.655 29.700 0.004 0.000 1.070 155 E HN -0.244 nan 8.360 nan 0.000 0.401 156 K N 3.913 124.317 120.400 0.006 0.000 2.219 156 K HA 0.220 4.540 4.320 -0.000 0.000 0.280 156 K C -0.423 176.176 176.600 -0.002 0.000 1.104 156 K CA -0.095 56.195 56.287 0.006 0.000 0.925 156 K CB 0.298 32.804 32.500 0.010 0.000 1.261 156 K HN 0.346 nan 8.250 nan 0.000 0.445 157 K N 0.228 120.624 120.400 -0.006 0.000 2.156 157 K HA 0.332 4.652 4.320 -0.000 0.000 0.250 157 K C 0.732 177.316 176.600 -0.026 0.000 0.955 157 K CA -0.777 55.500 56.287 -0.016 0.000 0.855 157 K CB 1.654 34.143 32.500 -0.019 0.000 1.101 157 K HN 0.216 nan 8.250 nan 0.000 0.434 158 V N -2.014 117.877 119.914 -0.038 0.000 3.006 158 V HA 0.128 4.248 4.120 -0.000 0.000 0.357 158 V C 0.120 176.179 176.094 -0.058 0.000 1.377 158 V CA -0.584 61.680 62.300 -0.059 0.000 1.198 158 V CB -0.531 31.246 31.823 -0.076 0.000 1.216 158 V HN 0.815 nan 8.190 nan 0.000 0.520 159 T N -2.385 112.144 114.554 -0.043 0.000 2.849 159 T HA 0.570 4.920 4.350 -0.000 0.000 0.284 159 T C 1.341 176.025 174.700 -0.027 0.000 1.004 159 T CA 0.327 62.400 62.100 -0.044 0.000 1.021 159 T CB 1.625 70.464 68.868 -0.049 0.000 1.013 159 T HN 0.378 nan 8.240 nan 0.000 0.527 160 G N -0.273 108.506 108.800 -0.034 0.000 2.603 160 G HA2 0.363 4.323 3.960 -0.000 0.000 0.214 160 G HA3 0.363 4.323 3.960 -0.000 0.000 0.214 160 G C 0.795 175.681 174.900 -0.024 0.000 1.140 160 G CA -0.124 44.966 45.100 -0.017 0.000 0.800 160 G HN 1.078 nan 8.290 nan 0.000 0.533 161 G N -0.301 108.470 108.800 -0.049 0.000 2.340 161 G HA2 0.402 4.362 3.960 -0.000 0.000 0.245 161 G HA3 0.402 4.362 3.960 -0.000 0.000 0.245 161 G C 0.455 175.335 174.900 -0.034 0.000 1.294 161 G CA -0.252 44.808 45.100 -0.067 0.000 0.896 161 G HN 0.276 nan 8.290 nan 0.000 0.522 162 R N 0.807 121.299 120.500 -0.013 0.000 2.840 162 R HA 0.109 4.449 4.340 -0.000 0.000 0.173 162 R C 1.752 178.103 176.300 0.084 0.000 0.791 162 R CA 0.122 56.252 56.100 0.050 0.000 1.069 162 R CB 0.069 30.453 30.300 0.140 0.000 1.537 162 R HN 0.485 nan 8.270 nan 0.000 0.609 163 N N -0.095 118.675 118.700 0.116 0.000 2.325 163 N HA 0.150 4.890 4.740 -0.000 0.000 0.182 163 N C 0.314 175.956 175.510 0.220 0.000 1.088 163 N CA 1.058 54.261 53.050 0.255 0.000 0.879 163 N CB 1.211 39.891 38.487 0.322 0.000 0.983 163 N HN 0.392 nan 8.380 nan 0.000 0.471 164 G N 0.484 109.263 108.800 -0.035 0.000 2.182 164 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.248 164 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.248 164 G C 0.191 174.983 174.900 -0.179 0.000 1.042 164 G CA 0.386 45.376 45.100 -0.183 0.000 0.775 164 G HN 0.433 nan 8.290 nan 0.000 0.501 165 Y N -0.864 119.404 120.300 -0.053 0.000 2.673 165 Y HA 0.291 4.841 4.550 -0.000 0.000 0.278 165 Y C 2.877 178.726 175.900 -0.084 0.000 1.127 165 Y CA 1.098 59.178 58.100 -0.034 0.000 1.261 165 Y CB -0.307 38.185 38.460 0.054 0.000 1.412 165 Y HN 0.277 nan 8.280 nan 0.000 0.496 166 G N 1.040 109.894 108.800 0.090 0.000 2.808 166 G HA2 -0.464 3.495 3.960 -0.000 0.000 0.225 166 G HA3 -0.464 3.495 3.960 -0.000 0.000 0.225 166 G C 1.822 176.689 174.900 -0.056 0.000 1.210 166 G CA 1.980 47.079 45.100 -0.001 0.000 0.777 166 G HN 0.480 nan 8.290 nan 0.000 0.640 167 A N -0.031 122.715 122.820 -0.124 0.000 1.933 167 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 167 A C 2.363 179.786 177.584 -0.269 0.000 1.175 167 A CA 2.386 54.352 52.037 -0.120 0.000 0.628 167 A CB -0.334 18.524 19.000 -0.238 0.000 0.814 167 A HN 0.360 nan 8.150 nan 0.000 0.444 168 K N -0.096 120.143 120.400 -0.267 0.000 2.148 168 K HA 0.089 4.409 4.320 -0.000 0.000 0.204 168 K C 1.693 178.146 176.600 -0.246 0.000 1.050 168 K CA 0.835 56.931 56.287 -0.317 0.000 0.942 168 K CB -0.423 31.935 32.500 -0.237 0.000 0.724 168 K HN 0.511 nan 8.250 nan 0.000 0.446 169 L N -0.271 120.904 121.223 -0.079 0.000 2.093 169 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 169 L C 2.494 179.397 176.870 0.055 0.000 1.085 169 L CA 0.938 55.813 54.840 0.058 0.000 0.755 169 L CB -0.482 41.671 42.059 0.157 0.000 0.904 169 L HN 0.344 nan 8.230 nan 0.000 0.435 170 C N 0.217 119.446 119.300 -0.118 0.000 2.446 170 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 170 C C 2.791 177.571 174.990 -0.351 0.000 1.275 170 C CA 1.216 60.124 59.018 -0.184 0.000 1.727 170 C CB -0.921 26.655 27.740 -0.274 0.000 2.010 170 C HN 0.592 nan 8.230 nan 0.000 0.486 171 N N 1.012 119.199 118.700 -0.855 0.000 2.043 171 N HA -0.102 4.638 4.740 -0.000 0.000 0.193 171 N C 1.574 176.855 175.510 -0.381 0.000 1.037 171 N CA 2.181 54.620 53.050 -1.019 0.000 0.851 171 N CB -0.630 37.108 38.487 -1.248 0.000 1.027 171 N HN 0.628 nan 8.380 nan 0.000 0.422 172 I N -0.601 119.761 120.570 -0.346 0.000 2.248 172 I HA -0.253 3.916 4.170 -0.000 0.000 0.248 172 I C 0.683 176.526 176.117 -0.458 0.000 1.107 172 I CA 0.995 62.067 61.300 -0.379 0.000 1.373 172 I CB -0.293 37.425 38.000 -0.471 0.000 1.055 172 I HN 0.018 nan 8.210 nan 0.000 0.418 173 F N 0.407 120.325 119.950 -0.053 0.000 2.713 173 F HA 0.228 4.755 4.527 -0.000 0.000 0.294 173 F C 0.674 176.548 175.800 0.123 0.000 1.152 173 F CA 0.005 58.014 58.000 0.016 0.000 1.385 173 F CB -0.024 39.058 39.000 0.136 0.000 0.981 173 F HN -0.200 nan 8.300 nan 0.000 0.514 174 S N -0.900 114.918 115.700 0.196 0.000 2.526 174 S HA 0.266 4.736 4.470 -0.000 0.000 0.293 174 S C 0.957 175.688 174.600 0.219 0.000 1.092 174 S CA -0.536 57.845 58.200 0.301 0.000 0.980 174 S CB 1.865 65.317 63.200 0.420 0.000 1.048 174 S HN 0.100 nan 8.310 nan 0.000 0.483 175 T N 2.198 116.888 114.554 0.226 0.000 2.985 175 T HA 0.167 4.517 4.350 -0.000 0.000 0.266 175 T C 0.683 175.501 174.700 0.197 0.000 1.076 175 T CA 1.220 63.420 62.100 0.167 0.000 1.135 175 T CB -0.074 68.879 68.868 0.142 0.000 0.890 175 T HN 0.764 nan 8.240 nan 0.000 0.480 176 K N 0.854 121.414 120.400 0.267 0.000 2.553 176 K HA 0.654 4.974 4.320 -0.000 0.000 0.250 176 K C -1.903 174.953 176.600 0.426 0.000 0.953 176 K CA -0.849 55.612 56.287 0.289 0.000 0.800 176 K CB 0.991 33.611 32.500 0.199 0.000 1.243 176 K HN 0.156 nan 8.250 nan 0.000 0.435 177 F N 2.155 122.274 119.950 0.283 0.000 2.612 177 F HA 0.548 5.075 4.527 -0.000 0.000 0.332 177 F C -0.438 175.571 175.800 0.349 0.000 1.167 177 F CA -0.301 57.885 58.000 0.308 0.000 0.970 177 F CB 2.153 41.288 39.000 0.225 0.000 1.234 177 F HN 0.472 nan 8.300 nan 0.000 0.453 178 T N 5.614 120.108 114.554 -0.099 0.000 2.794 178 T HA 0.605 4.955 4.350 -0.000 0.000 0.280 178 T C -0.917 173.649 174.700 -0.223 0.000 0.987 178 T CA -0.559 61.524 62.100 -0.029 0.000 0.993 178 T CB 1.695 70.565 68.868 0.002 0.000 0.939 178 T HN 0.284 nan 8.240 nan 0.000 0.449 179 V N 3.374 123.287 119.914 -0.002 0.000 2.409 179 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 179 V C -0.117 176.019 176.094 0.070 0.000 1.020 179 V CA -0.687 61.544 62.300 -0.114 0.000 0.848 179 V CB 1.527 33.280 31.823 -0.117 0.000 0.990 179 V HN 0.901 nan 8.190 nan 0.000 0.430 180 E N 2.976 123.169 120.200 -0.011 0.000 2.246 180 E HA 0.674 5.024 4.350 -0.000 0.000 0.266 180 E C -1.192 175.364 176.600 -0.074 0.000 0.880 180 E CA -0.346 56.084 56.400 0.051 0.000 0.762 180 E CB 2.159 31.917 29.700 0.096 0.000 1.180 180 E HN 0.650 nan 8.360 nan 0.000 0.416 181 T N 2.163 116.635 114.554 -0.137 0.000 2.956 181 T HA 0.707 5.057 4.350 -0.000 0.000 0.312 181 T C -1.850 172.535 174.700 -0.524 0.000 1.151 181 T CA -0.274 61.597 62.100 -0.382 0.000 1.024 181 T CB 1.328 70.043 68.868 -0.255 0.000 1.140 181 T HN 0.526 nan 8.240 nan 0.000 0.473 182 A N 2.574 124.858 122.820 -0.893 0.000 2.343 182 A HA 0.787 5.107 4.320 -0.000 0.000 0.316 182 A C -0.325 176.896 177.584 -0.605 0.000 1.104 182 A CA -0.675 50.741 52.037 -1.034 0.000 0.768 182 A CB 1.679 19.451 19.000 -2.047 0.000 1.213 182 A HN 0.755 nan 8.150 nan 0.000 0.456 183 S N 1.606 117.173 115.700 -0.223 0.000 2.669 183 S HA 0.301 4.771 4.470 -0.000 0.000 0.315 183 S C 0.981 175.829 174.600 0.413 0.000 1.106 183 S CA -0.609 57.665 58.200 0.124 0.000 1.107 183 S CB 0.584 63.863 63.200 0.131 0.000 0.990 183 S HN 0.805 nan 8.310 nan 0.000 0.471 184 R N 3.211 124.005 120.500 0.490 0.000 2.096 184 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 184 R C 1.871 178.283 176.300 0.187 0.000 1.127 184 R CA 1.972 58.268 56.100 0.327 0.000 0.968 184 R CB -0.217 30.179 30.300 0.159 0.000 0.861 184 R HN 0.849 nan 8.270 nan 0.000 0.440 185 E N -0.500 119.805 120.200 0.175 0.000 2.085 185 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 185 E C 0.545 177.113 176.600 -0.054 0.000 0.994 185 E CA 1.340 57.772 56.400 0.053 0.000 0.801 185 E CB -0.021 29.727 29.700 0.080 0.000 0.743 185 E HN 0.486 nan 8.360 nan 0.000 0.453 186 Y N -0.003 120.347 120.300 0.083 0.000 2.493 186 Y HA 0.215 4.765 4.550 -0.000 0.000 0.275 186 Y C -0.030 175.939 175.900 0.114 0.000 1.183 186 Y CA -0.019 58.130 58.100 0.082 0.000 1.258 186 Y CB 0.449 38.953 38.460 0.074 0.000 1.108 186 Y HN -0.091 nan 8.280 nan 0.000 0.521 187 K N 0.112 120.649 120.400 0.228 0.000 2.975 187 K HA -0.263 4.057 4.320 -0.000 0.000 0.257 187 K C -0.743 176.015 176.600 0.264 0.000 1.005 187 K CA 0.878 57.289 56.287 0.207 0.000 0.738 187 K CB -1.351 31.218 32.500 0.115 0.000 1.236 187 K HN 0.361 nan 8.250 nan 0.000 0.483 188 K N -0.679 119.913 120.400 0.319 0.000 2.512 188 K HA 0.574 4.893 4.320 -0.000 0.000 0.263 188 K C -0.521 176.165 176.600 0.143 0.000 0.966 188 K CA -0.924 55.514 56.287 0.252 0.000 0.851 188 K CB 1.853 34.496 32.500 0.237 0.000 1.395 188 K HN -0.073 nan 8.250 nan 0.000 0.440 189 M N 1.942 121.586 119.600 0.073 0.000 2.456 189 M HA 0.457 4.937 4.480 -0.000 0.000 0.324 189 M C -1.248 175.060 176.300 0.012 0.000 1.124 189 M CA -0.823 54.429 55.300 -0.081 0.000 0.959 189 M CB 1.601 34.160 32.600 -0.067 0.000 1.692 189 M HN 0.545 nan 8.290 nan 0.000 0.444 190 F N 2.936 122.784 119.950 -0.171 0.000 2.507 190 F HA 0.679 5.206 4.527 -0.000 0.000 0.325 190 F C -1.014 174.714 175.800 -0.121 0.000 1.116 190 F CA -0.491 57.429 58.000 -0.133 0.000 0.930 190 F CB 1.134 40.081 39.000 -0.089 0.000 1.146 190 F HN 0.485 nan 8.300 nan 0.000 0.447 191 K N 5.670 125.661 120.400 -0.681 0.000 2.535 191 K HA 0.421 4.740 4.320 -0.000 0.000 0.251 191 K C -1.954 174.237 176.600 -0.681 0.000 0.942 191 K CA -0.552 55.472 56.287 -0.437 0.000 0.798 191 K CB 1.951 34.328 32.500 -0.205 0.000 1.267 191 K HN 0.875 nan 8.250 nan 0.000 0.434 192 Q N 1.904 121.475 119.800 -0.383 0.000 2.426 192 Q HA 0.367 4.707 4.340 -0.000 0.000 0.278 192 Q C -1.758 174.164 176.000 -0.129 0.000 1.007 192 Q CA -0.613 54.967 55.803 -0.372 0.000 0.850 192 Q CB 2.533 30.946 28.738 -0.542 0.000 1.427 192 Q HN 0.594 nan 8.270 nan 0.000 0.391 193 T N 2.186 116.610 114.554 -0.217 0.000 2.863 193 T HA 0.576 4.925 4.350 -0.000 0.000 0.285 193 T C -1.362 173.299 174.700 -0.065 0.000 1.009 193 T CA -0.442 61.668 62.100 0.017 0.000 0.989 193 T CB 0.724 69.604 68.868 0.020 0.000 1.004 193 T HN 0.330 nan 8.240 nan 0.000 0.455 194 W N 2.400 123.800 121.300 0.168 0.000 2.706 194 W HA 0.663 5.323 4.660 -0.000 0.000 0.346 194 W C -0.652 175.954 176.519 0.146 0.000 1.071 194 W CA -0.757 56.684 57.345 0.161 0.000 1.206 194 W CB 2.008 31.597 29.460 0.215 0.000 1.413 194 W HN 0.477 nan 8.180 nan 0.000 0.542 195 M N 0.814 120.591 119.600 0.295 0.000 2.716 195 M HA 0.244 4.724 4.480 -0.000 0.000 0.278 195 M C -0.697 175.691 176.300 0.147 0.000 1.281 195 M CA -0.601 54.818 55.300 0.199 0.000 0.814 195 M CB 0.947 33.620 32.600 0.121 0.000 1.719 195 M HN 0.264 nan 8.290 nan 0.000 0.457 196 D N 1.220 121.682 120.400 0.103 0.000 2.812 196 D HA -0.181 4.459 4.640 -0.000 0.000 0.237 196 D C -0.911 175.405 176.300 0.026 0.000 1.162 196 D CA 1.009 55.043 54.000 0.055 0.000 0.740 196 D CB -1.673 39.151 40.800 0.041 0.000 1.000 196 D HN 0.967 nan 8.370 nan 0.000 0.416 197 N N -0.515 118.192 118.700 0.011 0.000 2.705 197 N HA -0.285 4.455 4.740 -0.000 0.000 0.255 197 N C 1.028 176.495 175.510 -0.071 0.000 1.008 197 N CA 0.962 53.963 53.050 -0.082 0.000 0.742 197 N CB -0.980 37.404 38.487 -0.173 0.000 0.906 197 N HN 0.669 nan 8.380 nan 0.000 0.541 198 M N -2.450 117.163 119.600 0.023 0.000 2.762 198 M HA -0.264 4.216 4.480 -0.000 0.000 0.190 198 M C 1.036 177.410 176.300 0.123 0.000 0.586 198 M CA 1.504 56.857 55.300 0.088 0.000 0.620 198 M CB -1.098 31.438 32.600 -0.106 0.000 2.269 198 M HN 0.589 nan 8.290 nan 0.000 0.563 199 G N 0.401 109.252 108.800 0.084 0.000 2.603 199 G HA2 0.056 4.016 3.960 -0.000 0.000 0.214 199 G HA3 0.056 4.016 3.960 -0.000 0.000 0.214 199 G C 0.470 175.420 174.900 0.082 0.000 1.140 199 G CA 0.433 45.568 45.100 0.060 0.000 0.800 199 G HN 0.487 nan 8.290 nan 0.000 0.533 200 R N -0.593 119.973 120.500 0.110 0.000 2.725 200 R HA 0.650 4.990 4.340 -0.000 0.000 0.277 200 R C -1.793 174.529 176.300 0.036 0.000 0.987 200 R CA -0.612 55.525 56.100 0.062 0.000 0.901 200 R CB 1.917 32.238 30.300 0.034 0.000 1.207 200 R HN 0.060 nan 8.270 nan 0.000 0.463 201 A N 1.775 124.536 122.820 -0.097 0.000 2.374 201 A HA 0.637 4.957 4.320 -0.000 0.000 0.305 201 A C -0.226 177.191 177.584 -0.277 0.000 1.053 201 A CA -0.467 51.360 52.037 -0.350 0.000 0.726 201 A CB 1.634 20.295 19.000 -0.566 0.000 1.229 201 A HN 0.836 nan 8.150 nan 0.000 0.431 202 G N 0.367 108.991 108.800 -0.293 0.000 2.611 202 G HA2 0.546 4.506 3.960 -0.000 0.000 0.273 202 G HA3 0.546 4.506 3.960 -0.000 0.000 0.273 202 G C 0.325 175.074 174.900 -0.252 0.000 1.305 202 G CA 0.312 45.285 45.100 -0.211 0.000 1.010 202 G HN 1.274 nan 8.290 nan 0.000 0.509 203 E N -0.677 119.405 120.200 -0.196 0.000 2.383 203 E HA 0.415 4.765 4.350 -0.000 0.000 0.264 203 E C 0.415 176.853 176.600 -0.270 0.000 1.050 203 E CA -0.399 55.882 56.400 -0.198 0.000 0.896 203 E CB 0.574 30.186 29.700 -0.146 0.000 0.982 203 E HN 0.645 nan 8.360 nan 0.000 0.424 204 M N 1.601 121.028 119.600 -0.289 0.000 2.185 204 M HA 0.281 4.760 4.480 -0.000 0.000 0.357 204 M C -0.576 175.492 176.300 -0.387 0.000 1.260 204 M CA 0.067 55.117 55.300 -0.418 0.000 1.124 204 M CB 0.494 32.864 32.600 -0.382 0.000 1.600 204 M HN 0.608 nan 8.290 nan 0.000 0.467 205 E N 5.656 125.577 120.200 -0.466 0.000 2.133 205 E HA 0.484 4.834 4.350 -0.000 0.000 0.274 205 E C -1.407 174.984 176.600 -0.348 0.000 0.930 205 E CA -0.452 55.749 56.400 -0.331 0.000 0.770 205 E CB 1.793 31.341 29.700 -0.253 0.000 1.104 205 E HN 0.691 nan 8.360 nan 0.000 0.403 206 L N 2.453 123.531 121.223 -0.242 0.000 2.346 206 L HA 0.762 5.101 4.340 -0.000 0.000 0.274 206 L C -0.073 176.753 176.870 -0.073 0.000 1.007 206 L CA -0.600 54.135 54.840 -0.175 0.000 0.818 206 L CB 1.576 43.513 42.059 -0.204 0.000 1.284 206 L HN 0.515 nan 8.230 nan 0.000 0.424 207 K N 2.785 123.178 120.400 -0.011 0.000 2.551 207 K HA 0.761 5.081 4.320 -0.000 0.000 0.269 207 K C -3.073 173.590 176.600 0.104 0.000 0.949 207 K CA -1.469 54.841 56.287 0.038 0.000 0.849 207 K CB 1.327 33.851 32.500 0.040 0.000 1.411 207 K HN 0.271 nan 8.250 nan 0.000 0.432 208 P HA 0.487 nan 4.420 nan 0.000 0.269 208 P C -1.028 176.421 177.300 0.248 0.000 1.209 208 P CA -0.049 63.141 63.100 0.149 0.000 0.776 208 P CB 0.170 31.927 31.700 0.095 0.000 0.876 209 F N 2.468 122.455 119.950 0.062 0.000 2.628 209 F HA 0.507 5.034 4.527 -0.000 0.000 0.309 209 F C -0.292 175.547 175.800 0.064 0.000 1.108 209 F CA -0.559 57.483 58.000 0.069 0.000 0.971 209 F CB 1.913 40.956 39.000 0.071 0.000 1.279 209 F HN 0.203 nan 8.300 nan 0.000 0.441 210 N N 2.105 120.310 118.700 -0.826 0.000 2.228 210 N HA 0.280 5.020 4.740 -0.000 0.000 0.237 210 N C -0.312 174.769 175.510 -0.715 0.000 1.382 210 N CA 0.467 53.169 53.050 -0.580 0.000 0.787 210 N CB 0.527 38.871 38.487 -0.238 0.000 1.320 210 N HN 0.841 nan 8.380 nan 0.000 0.507 211 G N -0.795 107.153 108.800 -1.420 0.000 2.940 211 G HA2 0.308 4.268 3.960 -0.000 0.000 0.164 211 G HA3 0.308 4.268 3.960 -0.000 0.000 0.164 211 G C -0.660 174.143 174.900 -0.162 0.000 1.326 211 G CA -0.320 44.415 45.100 -0.608 0.000 1.020 211 G HN 0.129 nan 8.290 nan 0.000 0.586 212 E N 1.487 121.828 120.200 0.234 0.000 2.223 212 E HA 0.178 4.527 4.350 -0.000 0.000 0.282 212 E C -0.657 176.312 176.600 0.616 0.000 1.046 212 E CA -0.145 56.467 56.400 0.353 0.000 0.857 212 E CB 1.108 30.972 29.700 0.273 0.000 1.055 212 E HN 0.239 nan 8.360 nan 0.000 0.409 213 D N 1.953 122.613 120.400 0.432 0.000 2.419 213 D HA 0.103 4.743 4.640 -0.000 0.000 0.236 213 D C -0.234 176.147 176.300 0.135 0.000 1.165 213 D CA 0.991 55.127 54.000 0.225 0.000 0.882 213 D CB 0.141 41.002 40.800 0.102 0.000 1.201 213 D HN 0.357 nan 8.370 nan 0.000 0.443 214 Y N -2.897 117.291 120.300 -0.187 0.000 2.702 214 Y HA 0.568 5.118 4.550 -0.000 0.000 0.336 214 Y C -1.455 174.218 175.900 -0.378 0.000 1.203 214 Y CA -1.079 56.774 58.100 -0.412 0.000 1.072 214 Y CB 0.872 39.072 38.460 -0.433 0.000 1.327 214 Y HN 0.175 nan 8.280 nan 0.000 0.456 215 T N 1.815 116.153 114.554 -0.361 0.000 2.971 215 T HA 0.508 4.858 4.350 -0.000 0.000 0.304 215 T C -1.853 172.768 174.700 -0.131 0.000 1.038 215 T CA -0.483 61.468 62.100 -0.248 0.000 1.007 215 T CB 1.331 70.082 68.868 -0.195 0.000 1.055 215 T HN 0.955 nan 8.240 nan 0.000 0.451 216 C N 5.524 124.840 119.300 0.026 0.000 2.397 216 C HA 0.733 5.193 4.460 -0.000 0.000 0.325 216 C C -1.362 173.635 174.990 0.012 0.000 1.201 216 C CA -0.796 58.303 59.018 0.135 0.000 1.377 216 C CB -0.579 27.374 27.740 0.356 0.000 2.038 216 C HN 0.774 nan 8.230 nan 0.000 0.457 217 I N 5.917 126.491 120.570 0.007 0.000 2.355 217 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 217 I C 0.363 176.491 176.117 0.019 0.000 0.999 217 I CA 0.085 61.321 61.300 -0.107 0.000 1.163 217 I CB 1.337 39.299 38.000 -0.064 0.000 1.316 217 I HN 0.629 nan 8.210 nan 0.000 0.454 218 T N 7.741 122.260 114.554 -0.058 0.000 2.792 218 T HA 0.720 5.070 4.350 -0.000 0.000 0.280 218 T C -0.502 174.247 174.700 0.082 0.000 0.990 218 T CA -0.385 61.723 62.100 0.014 0.000 0.960 218 T CB 1.058 69.924 68.868 -0.003 0.000 0.939 218 T HN 0.398 nan 8.240 nan 0.000 0.439 219 F N 0.325 120.298 119.950 0.039 0.000 2.613 219 F HA 0.699 5.226 4.527 -0.000 0.000 0.310 219 F C -0.936 174.978 175.800 0.190 0.000 1.085 219 F CA -1.302 56.790 58.000 0.153 0.000 0.945 219 F CB 1.670 40.870 39.000 0.335 0.000 1.298 219 F HN 0.279 nan 8.300 nan 0.000 0.455 220 Q N 2.827 122.845 119.800 0.364 0.000 2.413 220 Q HA 0.402 4.742 4.340 -0.000 0.000 0.258 220 Q C -2.701 173.540 176.000 0.402 0.000 1.037 220 Q CA -2.104 53.847 55.803 0.247 0.000 0.764 220 Q CB 1.918 30.762 28.738 0.176 0.000 1.217 220 Q HN 0.331 nan 8.270 nan 0.000 0.490 221 P HA -0.114 nan 4.420 nan 0.000 0.266 221 P C -0.549 176.986 177.300 0.391 0.000 1.195 221 P CA -0.003 63.420 63.100 0.540 0.000 0.768 221 P CB 0.536 32.565 31.700 0.548 0.000 0.838 222 D N 3.336 123.954 120.400 0.364 0.000 2.508 222 D HA 0.041 4.681 4.640 -0.000 0.000 0.224 222 D C 1.144 177.558 176.300 0.190 0.000 1.171 222 D CA 0.135 54.256 54.000 0.202 0.000 1.006 222 D CB -0.267 40.591 40.800 0.097 0.000 1.073 222 D HN 0.266 nan 8.370 nan 0.000 0.513 223 L N 1.891 123.267 121.223 0.256 0.000 2.261 223 L HA -0.213 4.127 4.340 -0.000 0.000 0.216 223 L C 2.436 179.407 176.870 0.167 0.000 1.114 223 L CA 1.072 56.088 54.840 0.294 0.000 0.777 223 L CB -0.516 41.675 42.059 0.220 0.000 0.910 223 L HN 0.329 nan 8.230 nan 0.000 0.440 224 S N -0.660 115.086 115.700 0.077 0.000 2.402 224 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 224 S C 1.883 176.465 174.600 -0.030 0.000 1.021 224 S CA 0.539 58.758 58.200 0.032 0.000 0.974 224 S CB -0.175 63.038 63.200 0.021 0.000 0.800 224 S HN 0.321 nan 8.310 nan 0.000 0.484 225 K N 0.498 120.807 120.400 -0.152 0.000 2.362 225 K HA 0.104 4.424 4.320 -0.000 0.000 0.200 225 K C 0.317 176.675 176.600 -0.404 0.000 1.046 225 K CA 0.671 56.773 56.287 -0.308 0.000 0.952 225 K CB -0.348 31.890 32.500 -0.437 0.000 0.753 225 K HN 0.567 nan 8.250 nan 0.000 0.466 226 F N 0.715 120.717 119.950 0.087 0.000 2.654 226 F HA 0.251 4.778 4.527 -0.000 0.000 0.303 226 F C 0.072 175.892 175.800 0.032 0.000 1.099 226 F CA -0.749 57.278 58.000 0.043 0.000 1.270 226 F CB 0.046 39.075 39.000 0.049 0.000 1.024 226 F HN -0.166 nan 8.300 nan 0.000 0.548 227 K N 0.686 121.171 120.400 0.142 0.000 3.148 227 K HA -0.216 4.103 4.320 -0.000 0.000 0.267 227 K C -0.349 176.316 176.600 0.109 0.000 0.996 227 K CA 0.556 56.901 56.287 0.097 0.000 0.737 227 K CB -1.524 31.017 32.500 0.070 0.000 1.308 227 K HN 0.369 nan 8.250 nan 0.000 0.470 228 M N -0.911 118.772 119.600 0.139 0.000 2.591 228 M HA 0.183 4.663 4.480 -0.000 0.000 0.306 228 M C 1.400 177.761 176.300 0.101 0.000 1.190 228 M CA -0.071 55.301 55.300 0.120 0.000 0.889 228 M CB 1.860 34.551 32.600 0.152 0.000 1.728 228 M HN 0.176 nan 8.290 nan 0.000 0.458 229 Q N 0.656 120.502 119.800 0.076 0.000 2.259 229 Q HA 0.291 4.631 4.340 -0.000 0.000 0.201 229 Q C 0.635 176.675 176.000 0.066 0.000 0.938 229 Q CA 1.287 57.128 55.803 0.063 0.000 0.872 229 Q CB 0.428 29.194 28.738 0.045 0.000 0.971 229 Q HN 0.863 nan 8.270 nan 0.000 0.494 230 S N -2.322 113.417 115.700 0.065 0.000 2.611 230 S HA 0.592 5.062 4.470 -0.000 0.000 0.268 230 S C -0.932 173.698 174.600 0.051 0.000 1.156 230 S CA -0.718 57.517 58.200 0.058 0.000 0.817 230 S CB 0.218 63.441 63.200 0.039 0.000 1.122 230 S HN 0.476 nan 8.310 nan 0.000 0.466 231 L N 2.841 124.087 121.223 0.039 0.000 2.462 231 L HA 0.257 4.597 4.340 -0.000 0.000 0.283 231 L C 0.192 177.063 176.870 0.002 0.000 1.166 231 L CA -0.450 54.400 54.840 0.017 0.000 0.964 231 L CB -1.132 40.926 42.059 -0.001 0.000 1.294 231 L HN 0.738 nan 8.230 nan 0.000 0.449 232 D N 1.252 121.655 120.400 0.005 0.000 2.380 232 D HA -0.006 4.634 4.640 -0.000 0.000 0.254 232 D C 1.114 177.402 176.300 -0.019 0.000 1.288 232 D CA -0.581 53.417 54.000 -0.002 0.000 1.008 232 D CB 0.796 41.598 40.800 0.004 0.000 1.099 232 D HN 0.176 nan 8.370 nan 0.000 0.537 233 K N -0.650 119.738 120.400 -0.020 0.000 2.044 233 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 233 K C 1.125 177.695 176.600 -0.050 0.000 1.049 233 K CA 1.772 58.041 56.287 -0.029 0.000 0.927 233 K CB -0.187 32.296 32.500 -0.027 0.000 0.713 233 K HN 0.354 nan 8.250 nan 0.000 0.443 234 D N 0.639 121.007 120.400 -0.052 0.000 2.084 234 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 234 D C 1.825 178.045 176.300 -0.133 0.000 0.990 234 D CA 0.941 54.891 54.000 -0.084 0.000 0.826 234 D CB -0.199 40.575 40.800 -0.044 0.000 0.971 234 D HN 0.211 nan 8.370 nan 0.000 0.453 235 I N 0.300 120.814 120.570 -0.092 0.000 2.315 235 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 235 I C 2.027 178.035 176.117 -0.181 0.000 1.117 235 I CA 0.850 62.067 61.300 -0.139 0.000 1.404 235 I CB -0.090 37.877 38.000 -0.054 0.000 1.071 235 I HN -0.171 nan 8.210 nan 0.000 0.419 236 V N 1.009 120.850 119.914 -0.122 0.000 2.358 236 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 236 V C 2.722 178.763 176.094 -0.089 0.000 1.047 236 V CA 1.695 63.928 62.300 -0.113 0.000 1.035 236 V CB -1.405 30.382 31.823 -0.059 0.000 0.658 236 V HN 0.546 nan 8.190 nan 0.000 0.452 237 A N -0.469 122.306 122.820 -0.076 0.000 1.972 237 A HA -0.145 4.174 4.320 -0.000 0.000 0.219 237 A C 2.217 179.767 177.584 -0.057 0.000 1.169 237 A CA 1.675 53.695 52.037 -0.029 0.000 0.635 237 A CB -0.454 18.512 19.000 -0.057 0.000 0.810 237 A HN 0.507 nan 8.150 nan 0.000 0.446 238 L N -1.330 119.764 121.223 -0.216 0.000 2.072 238 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 238 L C 2.840 179.640 176.870 -0.116 0.000 1.079 238 L CA 1.341 55.971 54.840 -0.351 0.000 0.752 238 L CB -0.392 41.108 42.059 -0.933 0.000 0.906 238 L HN 0.405 nan 8.230 nan 0.000 0.436 239 M N -1.234 118.275 119.600 -0.152 0.000 2.159 239 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 239 M C 2.243 178.622 176.300 0.131 0.000 1.063 239 M CA 1.261 56.490 55.300 -0.117 0.000 1.110 239 M CB -0.339 31.812 32.600 -0.748 0.000 1.374 239 M HN 0.078 nan 8.290 nan 0.000 0.411 240 V N 0.070 120.041 119.914 0.095 0.000 2.307 240 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 240 V C 2.468 178.759 176.094 0.329 0.000 1.045 240 V CA 1.674 64.084 62.300 0.183 0.000 1.024 240 V CB -0.794 31.109 31.823 0.133 0.000 0.651 240 V HN 0.463 nan 8.190 nan 0.000 0.449 241 R N 0.098 120.787 120.500 0.315 0.000 2.120 241 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 241 R C 2.437 179.030 176.300 0.489 0.000 1.123 241 R CA 1.716 58.050 56.100 0.390 0.000 0.975 241 R CB -0.213 30.282 30.300 0.326 0.000 0.866 241 R HN 0.324 nan 8.270 nan 0.000 0.446 242 R N 0.466 121.252 120.500 0.477 0.000 2.096 242 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 242 R C 1.972 178.511 176.300 0.398 0.000 1.127 242 R CA 1.751 58.156 56.100 0.509 0.000 0.968 242 R CB -0.560 30.137 30.300 0.661 0.000 0.861 242 R HN 0.281 nan 8.270 nan 0.000 0.440 243 A N -0.892 122.159 122.820 0.385 0.000 1.933 243 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 243 A C 1.941 179.598 177.584 0.123 0.000 1.175 243 A CA 1.299 53.470 52.037 0.224 0.000 0.628 243 A CB -0.760 18.350 19.000 0.184 0.000 0.814 243 A HN 0.461 nan 8.150 nan 0.000 0.444 244 Y N 0.684 121.072 120.300 0.146 0.000 2.242 244 Y HA -0.189 4.361 4.550 -0.000 0.000 0.291 244 Y C 2.224 178.246 175.900 0.203 0.000 1.137 244 Y CA 1.589 59.796 58.100 0.178 0.000 1.181 244 Y CB -0.239 38.366 38.460 0.241 0.000 0.989 244 Y HN 0.328 nan 8.280 nan 0.000 0.527 245 D N -0.047 120.572 120.400 0.365 0.000 2.116 245 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 245 D C 2.183 178.285 176.300 -0.331 0.000 0.998 245 D CA 1.380 55.343 54.000 -0.062 0.000 0.836 245 D CB -0.343 40.566 40.800 0.182 0.000 0.951 245 D HN 0.187 nan 8.370 nan 0.000 0.449 246 I N 1.058 121.562 120.570 -0.110 0.000 2.208 246 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 246 I C 2.408 178.437 176.117 -0.148 0.000 1.097 246 I CA 0.829 62.049 61.300 -0.132 0.000 1.363 246 I CB -1.244 36.730 38.000 -0.044 0.000 1.051 246 I HN -0.093 nan 8.210 nan 0.000 0.413 247 A N 0.665 123.416 122.820 -0.115 0.000 1.972 247 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 247 A C 2.431 179.955 177.584 -0.100 0.000 1.169 247 A CA 1.774 53.744 52.037 -0.111 0.000 0.635 247 A CB -1.103 17.807 19.000 -0.150 0.000 0.810 247 A HN 0.447 nan 8.150 nan 0.000 0.446 248 G N -0.799 107.905 108.800 -0.161 0.000 2.603 248 G HA2 0.058 4.018 3.960 -0.000 0.000 0.214 248 G HA3 0.058 4.018 3.960 -0.000 0.000 0.214 248 G C 1.723 176.508 174.900 -0.191 0.000 1.140 248 G CA 1.285 46.288 45.100 -0.161 0.000 0.800 248 G HN 0.781 nan 8.290 nan 0.000 0.533 249 S N 0.159 115.623 115.700 -0.394 0.000 2.486 249 S HA 0.076 4.546 4.470 -0.000 0.000 0.220 249 S C 1.354 175.810 174.600 -0.241 0.000 1.011 249 S CA 0.774 58.727 58.200 -0.412 0.000 0.921 249 S CB -0.306 62.508 63.200 -0.643 0.000 0.785 249 S HN 0.391 nan 8.310 nan 0.000 0.517 250 T N 0.212 114.662 114.554 -0.174 0.000 2.874 250 T HA 0.546 4.896 4.350 -0.000 0.000 0.281 250 T C -0.648 174.007 174.700 -0.074 0.000 0.994 250 T CA -0.778 61.254 62.100 -0.113 0.000 1.015 250 T CB 1.094 69.910 68.868 -0.086 0.000 1.028 250 T HN 0.161 nan 8.240 nan 0.000 0.523 251 K N 0.522 120.890 120.400 -0.053 0.000 2.221 251 K HA 0.342 4.662 4.320 -0.000 0.000 0.258 251 K C -0.825 175.765 176.600 -0.015 0.000 0.944 251 K CA -0.621 55.650 56.287 -0.028 0.000 0.823 251 K CB 1.132 33.618 32.500 -0.024 0.000 1.113 251 K HN 0.799 nan 8.250 nan 0.000 0.431 252 D N 0.649 121.047 120.400 -0.004 0.000 2.708 252 D HA -0.150 4.490 4.640 -0.000 0.000 0.236 252 D C -1.456 174.852 176.300 0.013 0.000 1.146 252 D CA 0.817 54.821 54.000 0.007 0.000 0.662 252 D CB -0.558 40.249 40.800 0.012 0.000 1.059 252 D HN 0.053 nan 8.370 nan 0.000 0.428 253 V N 0.575 120.491 119.914 0.004 0.000 2.482 253 V HA 0.259 4.379 4.120 -0.000 0.000 0.295 253 V C 0.312 176.409 176.094 0.005 0.000 1.026 253 V CA -0.920 61.391 62.300 0.019 0.000 0.856 253 V CB 2.150 33.975 31.823 0.005 0.000 1.001 253 V HN -0.032 nan 8.190 nan 0.000 0.424 254 K N 3.419 123.844 120.400 0.042 0.000 2.205 254 K HA 0.684 5.004 4.320 -0.000 0.000 0.279 254 K C -0.871 175.716 176.600 -0.021 0.000 1.027 254 K CA -0.486 55.778 56.287 -0.038 0.000 0.932 254 K CB 1.952 34.470 32.500 0.030 0.000 1.032 254 K HN 0.429 nan 8.250 nan 0.000 0.466 255 V N 4.435 124.225 119.914 -0.207 0.000 2.495 255 V HA 0.422 4.542 4.120 -0.000 0.000 0.298 255 V C -0.858 175.051 176.094 -0.308 0.000 1.031 255 V CA -0.823 61.409 62.300 -0.113 0.000 0.871 255 V CB 0.684 32.434 31.823 -0.122 0.000 0.988 255 V HN 0.526 nan 8.190 nan 0.000 0.432 256 F N 4.633 124.561 119.950 -0.036 0.000 2.508 256 F HA 0.730 5.257 4.527 -0.000 0.000 0.325 256 F C -0.307 175.467 175.800 -0.044 0.000 1.090 256 F CA -0.880 57.086 58.000 -0.056 0.000 0.945 256 F CB 1.909 40.878 39.000 -0.052 0.000 1.156 256 F HN 0.306 nan 8.300 nan 0.000 0.463 257 L N 4.038 125.321 121.223 0.099 0.000 2.343 257 L HA 0.516 4.855 4.340 -0.000 0.000 0.278 257 L C -0.236 176.674 176.870 0.066 0.000 0.996 257 L CA -0.418 54.460 54.840 0.064 0.000 0.831 257 L CB 0.852 42.906 42.059 -0.009 0.000 1.232 257 L HN 0.628 nan 8.230 nan 0.000 0.413 258 N N 4.205 122.942 118.700 0.061 0.000 2.721 258 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 258 N C 0.944 176.472 175.510 0.030 0.000 1.072 258 N CA 1.608 54.678 53.050 0.033 0.000 0.710 258 N CB -1.180 37.324 38.487 0.028 0.000 0.993 258 N HN 1.247 nan 8.380 nan 0.000 0.547 259 G N -2.173 106.655 108.800 0.047 0.000 2.195 259 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.246 259 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.246 259 G C -0.103 174.894 174.900 0.161 0.000 0.984 259 G CA 0.207 45.331 45.100 0.041 0.000 0.633 259 G HN 0.569 nan 8.290 nan 0.000 0.525 260 N N 0.437 119.236 118.700 0.164 0.000 2.408 260 N HA 0.489 5.228 4.740 -0.000 0.000 0.280 260 N C -0.223 175.311 175.510 0.041 0.000 1.002 260 N CA -0.619 52.510 53.050 0.132 0.000 0.907 260 N CB 1.608 40.123 38.487 0.046 0.000 1.161 260 N HN 0.308 nan 8.380 nan 0.000 0.488 261 K N 3.042 123.371 120.400 -0.119 0.000 2.379 261 K HA 0.150 4.470 4.320 -0.000 0.000 0.284 261 K C -0.544 175.814 176.600 -0.404 0.000 1.044 261 K CA -0.289 55.590 56.287 -0.679 0.000 0.974 261 K CB 0.385 32.416 32.500 -0.782 0.000 0.962 261 K HN 0.490 nan 8.250 nan 0.000 0.474 262 L N 7.494 128.435 121.223 -0.470 0.000 2.410 262 L HA 0.135 4.475 4.340 -0.000 0.000 0.273 262 L C -1.454 175.246 176.870 -0.285 0.000 1.144 262 L CA -1.656 52.912 54.840 -0.453 0.000 0.863 262 L CB 0.520 42.140 42.059 -0.732 0.000 1.140 262 L HN 0.579 nan 8.230 nan 0.000 0.463 263 P HA 0.076 nan 4.420 nan 0.000 0.232 263 P C -0.605 176.695 177.300 0.001 0.000 1.738 263 P CA 0.158 63.233 63.100 -0.042 0.000 0.948 263 P CB 0.016 31.732 31.700 0.027 0.000 1.943 264 V N 0.743 120.631 119.914 -0.043 0.000 2.680 264 V HA 0.705 4.825 4.120 -0.000 0.000 0.309 264 V C 0.390 176.475 176.094 -0.015 0.000 1.052 264 V CA -0.575 61.733 62.300 0.013 0.000 0.908 264 V CB 2.023 33.876 31.823 0.050 0.000 1.001 264 V HN 0.240 nan 8.190 nan 0.000 0.431 265 K N 2.047 122.452 120.400 0.007 0.000 2.865 265 K HA 0.730 5.050 4.320 -0.000 0.000 0.215 265 K C -0.032 176.579 176.600 0.019 0.000 1.120 265 K CA 0.175 56.462 56.287 0.000 0.000 1.037 265 K CB 1.060 33.554 32.500 -0.009 0.000 1.233 265 K HN 2.271 nan 8.250 nan 0.000 0.577 266 G N 0.212 109.037 108.800 0.041 0.000 2.650 266 G HA2 0.046 4.006 3.960 -0.000 0.000 0.686 266 G HA3 0.046 4.006 3.960 -0.000 0.000 0.686 266 G C 0.172 175.158 174.900 0.144 0.000 1.205 266 G CA -0.060 45.088 45.100 0.080 0.000 0.781 266 G HN 1.212 nan 8.290 nan 0.000 0.648 267 F N 1.674 121.634 119.950 0.016 0.000 2.161 267 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 267 F C 2.677 178.529 175.800 0.088 0.000 1.089 267 F CA 2.377 60.410 58.000 0.054 0.000 1.282 267 F CB -0.084 38.960 39.000 0.073 0.000 1.010 267 F HN 0.603 nan 8.300 nan 0.000 0.485 268 R N 0.986 121.487 120.500 0.002 0.000 2.083 268 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 268 R C 2.539 178.693 176.300 -0.244 0.000 1.137 268 R CA 2.262 58.205 56.100 -0.262 0.000 0.951 268 R CB -1.255 28.759 30.300 -0.476 0.000 0.851 268 R HN 0.410 nan 8.270 nan 0.000 0.434 269 S N -0.910 114.717 115.700 -0.123 0.000 2.399 269 S HA -0.211 4.259 4.470 -0.000 0.000 0.231 269 S C 2.088 176.651 174.600 -0.061 0.000 1.022 269 S CA 1.084 59.233 58.200 -0.085 0.000 0.983 269 S CB -0.839 62.347 63.200 -0.024 0.000 0.803 269 S HN 0.554 nan 8.310 nan 0.000 0.480 270 Y N 2.558 122.762 120.300 -0.160 0.000 2.114 270 Y HA -0.093 4.457 4.550 -0.000 0.000 0.284 270 Y C 2.327 178.111 175.900 -0.192 0.000 1.143 270 Y CA 1.741 59.776 58.100 -0.107 0.000 1.135 270 Y CB -0.610 37.792 38.460 -0.097 0.000 0.980 270 Y HN 0.121 nan 8.280 nan 0.000 0.499 271 V N 1.060 120.661 119.914 -0.522 0.000 2.392 271 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 271 V C 1.845 177.564 176.094 -0.626 0.000 1.059 271 V CA 2.179 63.946 62.300 -0.887 0.000 1.051 271 V CB -0.723 30.384 31.823 -1.193 0.000 0.658 271 V HN 0.473 nan 8.190 nan 0.000 0.455 272 D N -0.281 119.868 120.400 -0.418 0.000 2.218 272 D HA -0.158 4.482 4.640 -0.000 0.000 0.204 272 D C 2.095 178.258 176.300 -0.229 0.000 0.976 272 D CA 1.214 55.036 54.000 -0.297 0.000 0.853 272 D CB -0.206 40.468 40.800 -0.211 0.000 0.939 272 D HN 0.416 nan 8.370 nan 0.000 0.481 273 M N -0.797 118.666 119.600 -0.228 0.000 2.374 273 M HA -0.134 4.345 4.480 -0.000 0.000 0.264 273 M C 1.499 177.638 176.300 -0.269 0.000 1.067 273 M CA 1.013 56.178 55.300 -0.224 0.000 1.103 273 M CB -0.075 32.370 32.600 -0.258 0.000 1.402 273 M HN 0.049 nan 8.290 nan 0.000 0.444 274 Y N -0.590 119.462 120.300 -0.412 0.000 2.347 274 Y HA -0.007 4.543 4.550 -0.000 0.000 0.294 274 Y C 1.691 177.439 175.900 -0.254 0.000 1.117 274 Y CA 0.672 58.538 58.100 -0.391 0.000 1.184 274 Y CB 0.093 38.205 38.460 -0.581 0.000 1.047 274 Y HN 0.040 nan 8.280 nan 0.000 0.546 275 L N -0.189 120.917 121.223 -0.195 0.000 2.607 275 L HA 0.130 4.469 4.340 -0.000 0.000 0.228 275 L C 1.905 178.709 176.870 -0.111 0.000 1.123 275 L CA 0.310 55.035 54.840 -0.193 0.000 0.890 275 L CB -0.817 41.023 42.059 -0.366 0.000 1.103 275 L HN -0.039 nan 8.230 nan 0.000 0.468 276 K N 1.320 121.659 120.400 -0.102 0.000 1.988 276 K HA -0.227 4.093 4.320 -0.000 0.000 0.231 276 K C 0.570 177.146 176.600 -0.039 0.000 1.044 276 K CA 2.252 58.493 56.287 -0.075 0.000 1.013 276 K CB -0.273 32.187 32.500 -0.067 0.000 0.736 276 K HN 0.205 nan 8.250 nan 0.000 0.446 277 D N 0.368 120.763 120.400 -0.008 0.000 2.894 277 D HA 0.091 4.731 4.640 -0.000 0.000 0.273 277 D C -0.576 175.749 176.300 0.041 0.000 1.328 277 D CA -0.183 53.823 54.000 0.009 0.000 0.845 277 D CB 0.520 41.324 40.800 0.006 0.000 1.072 277 D HN 0.038 nan 8.370 nan 0.000 0.484 278 K N 0.318 120.754 120.400 0.058 0.000 2.218 278 K HA 0.451 4.770 4.320 -0.000 0.000 0.276 278 K C -0.233 176.417 176.600 0.084 0.000 1.022 278 K CA -0.298 56.055 56.287 0.110 0.000 0.946 278 K CB 0.923 33.532 32.500 0.181 0.000 1.000 278 K HN -0.058 nan 8.250 nan 0.000 0.468 279 L N 1.133 122.411 121.223 0.092 0.000 2.301 279 L HA 0.410 4.750 4.340 -0.000 0.000 0.264 279 L C 0.002 176.922 176.870 0.082 0.000 1.016 279 L CA -0.731 54.151 54.840 0.070 0.000 0.821 279 L CB 1.540 43.629 42.059 0.050 0.000 1.346 279 L HN 0.555 nan 8.230 nan 0.000 0.429 280 D N 0.201 120.641 120.400 0.066 0.000 2.369 280 D HA 0.357 4.997 4.640 -0.000 0.000 0.241 280 D C 1.048 177.383 176.300 0.058 0.000 1.271 280 D CA 0.823 54.864 54.000 0.068 0.000 0.942 280 D CB 0.853 41.685 40.800 0.053 0.000 1.129 280 D HN 0.707 nan 8.370 nan 0.000 0.476 281 E N -0.835 119.399 120.200 0.057 0.000 2.268 281 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 281 E C 1.744 178.366 176.600 0.035 0.000 0.995 281 E CA 1.622 58.048 56.400 0.044 0.000 0.836 281 E CB -1.041 28.686 29.700 0.045 0.000 0.763 281 E HN 0.594 nan 8.360 nan 0.000 0.491 282 T N -4.953 109.622 114.554 0.035 0.000 3.014 282 T HA 0.381 4.731 4.350 -0.000 0.000 0.263 282 T C 1.900 176.614 174.700 0.024 0.000 1.078 282 T CA 1.365 63.481 62.100 0.027 0.000 1.135 282 T CB 0.426 69.309 68.868 0.024 0.000 0.895 282 T HN 1.353 nan 8.240 nan 0.000 0.480 283 G N 0.751 109.568 108.800 0.029 0.000 2.227 283 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.168 283 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.168 283 G C -0.379 174.535 174.900 0.024 0.000 1.006 283 G CA -0.449 44.666 45.100 0.025 0.000 0.684 283 G HN 0.608 nan 8.290 nan 0.000 0.489 284 N N 1.221 119.937 118.700 0.025 0.000 2.473 284 N HA 0.554 5.294 4.740 -0.000 0.000 0.291 284 N C 0.416 175.941 175.510 0.026 0.000 1.083 284 N CA 0.278 53.340 53.050 0.021 0.000 0.951 284 N CB 1.386 39.883 38.487 0.017 0.000 1.164 284 N HN 0.447 nan 8.380 nan 0.000 0.480 285 S N 1.109 116.819 115.700 0.018 0.000 2.546 285 S HA 0.123 4.593 4.470 -0.000 0.000 0.290 285 S C 0.247 174.857 174.600 0.018 0.000 1.290 285 S CA -0.816 57.393 58.200 0.016 0.000 1.069 285 S CB -0.487 62.713 63.200 0.001 0.000 0.846 285 S HN 0.433 nan 8.310 nan 0.000 0.495 286 L N 0.598 121.839 121.223 0.031 0.000 2.467 286 L HA 0.452 4.792 4.340 -0.000 0.000 0.270 286 L C 0.287 177.156 176.870 -0.000 0.000 1.205 286 L CA -0.430 54.431 54.840 0.036 0.000 0.828 286 L CB -0.252 41.853 42.059 0.076 0.000 1.101 286 L HN 0.421 nan 8.230 nan 0.000 0.479 287 K N 2.254 122.654 120.400 -0.001 0.000 2.276 287 K HA 0.497 4.816 4.320 -0.000 0.000 0.283 287 K C -0.816 175.755 176.600 -0.049 0.000 1.044 287 K CA -0.430 55.840 56.287 -0.028 0.000 0.944 287 K CB 1.584 34.068 32.500 -0.027 0.000 1.012 287 K HN 0.525 nan 8.250 nan 0.000 0.472 288 V N 4.728 124.597 119.914 -0.075 0.000 2.409 288 V HA 0.309 4.429 4.120 -0.000 0.000 0.291 288 V C -0.258 175.782 176.094 -0.090 0.000 1.020 288 V CA -0.991 61.249 62.300 -0.099 0.000 0.848 288 V CB 1.174 32.907 31.823 -0.149 0.000 0.990 288 V HN 0.510 nan 8.190 nan 0.000 0.430 289 I N 5.201 125.704 120.570 -0.113 0.000 2.336 289 I HA 0.471 4.641 4.170 -0.000 0.000 0.292 289 I C 0.071 176.196 176.117 0.014 0.000 0.991 289 I CA -0.008 61.176 61.300 -0.195 0.000 1.227 289 I CB 0.904 38.556 38.000 -0.581 0.000 1.366 289 I HN 0.682 nan 8.210 nan 0.000 0.466 290 H N 6.191 125.278 119.070 0.027 0.000 2.797 290 H HA 0.722 5.278 4.556 -0.000 0.000 0.372 290 H C -1.463 174.059 175.328 0.324 0.000 1.168 290 H CA -0.692 55.473 56.048 0.196 0.000 1.163 290 H CB 2.286 32.093 29.762 0.075 0.000 1.778 290 H HN 0.735 nan 8.280 nan 0.000 0.551 291 E N 2.974 122.721 120.200 -0.756 0.000 2.537 291 E HA 0.036 4.386 4.350 -0.000 0.000 0.301 291 E C -1.888 174.467 176.600 -0.408 0.000 0.990 291 E CA -0.410 55.698 56.400 -0.486 0.000 0.828 291 E CB 1.682 31.391 29.700 0.015 0.000 1.243 291 E HN 0.646 nan 8.360 nan 0.000 0.414 292 Q N 4.820 124.491 119.800 -0.215 0.000 2.509 292 Q HA 0.246 4.586 4.340 -0.000 0.000 0.230 292 Q C 0.377 176.388 176.000 0.018 0.000 1.089 292 Q CA -0.280 55.523 55.803 -0.000 0.000 0.901 292 Q CB 0.985 29.788 28.738 0.109 0.000 1.208 292 Q HN 0.599 nan 8.270 nan 0.000 0.529 293 V N 2.980 122.904 119.914 0.016 0.000 2.282 293 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 293 V C 0.642 176.771 176.094 0.058 0.000 1.057 293 V CA 2.279 64.583 62.300 0.008 0.000 1.032 293 V CB -0.960 30.852 31.823 -0.020 0.000 0.645 293 V HN 0.912 nan 8.190 nan 0.000 0.447 294 N N -3.840 114.933 118.700 0.121 0.000 3.378 294 N HA 0.291 5.031 4.740 -0.000 0.000 0.294 294 N C 0.509 176.092 175.510 0.120 0.000 1.544 294 N CA 0.027 53.148 53.050 0.119 0.000 0.872 294 N CB 0.307 38.876 38.487 0.137 0.000 1.670 294 N HN 0.075 nan 8.380 nan 0.000 0.551 295 H N -1.273 117.852 119.070 0.092 0.000 2.543 295 H HA 0.201 4.757 4.556 -0.000 0.000 0.286 295 H C 1.223 176.568 175.328 0.028 0.000 1.037 295 H CA 1.718 57.799 56.048 0.056 0.000 1.250 295 H CB -0.320 29.466 29.762 0.041 0.000 1.373 295 H HN 0.491 nan 8.280 nan 0.000 0.580 296 R N -2.527 118.014 120.500 0.069 0.000 2.476 296 R HA 0.161 4.501 4.340 -0.000 0.000 0.276 296 R C -1.041 175.091 176.300 -0.280 0.000 0.941 296 R CA -0.155 55.894 56.100 -0.085 0.000 1.088 296 R CB 0.875 31.144 30.300 -0.052 0.000 1.216 296 R HN 0.582 nan 8.270 nan 0.000 0.533 297 W N 0.831 122.117 121.300 -0.023 0.000 2.998 297 W HA 0.405 5.065 4.660 -0.000 0.000 0.335 297 W C -0.702 175.799 176.519 -0.030 0.000 1.110 297 W CA -0.501 56.829 57.345 -0.026 0.000 1.230 297 W CB 1.658 31.122 29.460 0.006 0.000 1.405 297 W HN -0.204 nan 8.180 nan 0.000 0.493 298 E N 1.755 122.063 120.200 0.181 0.000 2.290 298 E HA 0.639 4.989 4.350 -0.000 0.000 0.274 298 E C -1.481 175.269 176.600 0.249 0.000 0.889 298 E CA -0.889 55.614 56.400 0.171 0.000 0.760 298 E CB 2.903 32.704 29.700 0.167 0.000 1.206 298 E HN 0.116 nan 8.360 nan 0.000 0.419 299 V N 1.840 121.900 119.914 0.242 0.000 2.876 299 V HA 0.507 4.627 4.120 -0.000 0.000 0.312 299 V C -0.762 175.573 176.094 0.402 0.000 1.085 299 V CA -0.687 61.797 62.300 0.308 0.000 0.945 299 V CB 2.050 33.923 31.823 0.084 0.000 1.017 299 V HN 0.851 nan 8.190 nan 0.000 0.428 300 C N 4.371 123.950 119.300 0.465 0.000 2.609 300 C HA 0.846 5.306 4.460 -0.000 0.000 0.313 300 C C -0.725 174.484 174.990 0.364 0.000 1.175 300 C CA -0.568 58.662 59.018 0.353 0.000 1.434 300 C CB 1.298 29.084 27.740 0.077 0.000 2.005 300 C HN 0.803 nan 8.230 nan 0.000 0.471 301 L N 2.750 124.127 121.223 0.256 0.000 2.409 301 L HA 0.917 5.257 4.340 -0.000 0.000 0.262 301 L C -0.245 176.678 176.870 0.087 0.000 0.992 301 L CA 0.485 55.460 54.840 0.225 0.000 0.817 301 L CB 2.288 44.514 42.059 0.278 0.000 1.350 301 L HN 0.801 nan 8.230 nan 0.000 0.411 302 T N 2.927 117.558 114.554 0.128 0.000 2.731 302 T HA 0.452 4.801 4.350 -0.000 0.000 0.300 302 T C -1.196 173.632 174.700 0.213 0.000 1.283 302 T CA -0.622 61.537 62.100 0.099 0.000 1.005 302 T CB 1.047 69.920 68.868 0.009 0.000 1.420 302 T HN 0.822 nan 8.240 nan 0.000 0.503 303 M N 2.174 121.899 119.600 0.208 0.000 2.274 303 M HA 0.618 5.098 4.480 -0.000 0.000 0.344 303 M C -0.453 176.036 176.300 0.314 0.000 1.161 303 M CA -0.233 55.212 55.300 0.241 0.000 1.126 303 M CB 1.239 33.946 32.600 0.179 0.000 1.522 303 M HN 0.570 nan 8.290 nan 0.000 0.461 304 S N 2.027 117.876 115.700 0.247 0.000 2.536 304 S HA 0.414 4.884 4.470 -0.000 0.000 0.298 304 S C -0.400 174.227 174.600 0.044 0.000 1.083 304 S CA -0.589 57.687 58.200 0.127 0.000 0.995 304 S CB 1.327 64.535 63.200 0.014 0.000 1.058 304 S HN 0.864 nan 8.310 nan 0.000 0.488 305 E N 1.784 121.974 120.200 -0.017 0.000 2.660 305 E HA 0.138 4.488 4.350 -0.000 0.000 0.216 305 E C -0.237 176.307 176.600 -0.095 0.000 0.986 305 E CA -0.068 56.310 56.400 -0.036 0.000 1.037 305 E CB 0.468 30.179 29.700 0.019 0.000 1.041 305 E HN 0.692 nan 8.360 nan 0.000 0.480 306 K N 0.269 120.584 120.400 -0.141 0.000 3.123 306 K HA 0.446 4.766 4.320 -0.000 0.000 0.209 306 K C 0.316 176.827 176.600 -0.148 0.000 1.132 306 K CA -0.220 55.978 56.287 -0.148 0.000 0.992 306 K CB 0.831 33.219 32.500 -0.186 0.000 0.773 306 K HN 0.082 nan 8.250 nan 0.000 0.458 307 G N 1.353 110.072 108.800 -0.135 0.000 2.829 307 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.628 307 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.628 307 G C -0.715 174.171 174.900 -0.022 0.000 1.412 307 G CA -0.582 44.478 45.100 -0.067 0.000 0.864 307 G HN 0.379 nan 8.290 nan 0.000 0.544 308 F N 1.456 121.363 119.950 -0.072 0.000 2.602 308 F HA 0.448 4.976 4.527 0.000 0.000 0.385 308 F C 0.901 176.649 175.800 -0.087 0.000 1.063 308 F CA 0.641 58.616 58.000 -0.041 0.000 1.233 308 F CB 0.389 39.389 39.000 0.000 0.000 1.067 308 F HN 0.547 nan 8.300 nan 0.000 0.564 309 Q N 4.658 123.958 119.800 -0.835 0.000 2.356 309 Q HA 0.429 4.769 4.340 -0.000 0.000 0.270 309 Q C -1.397 174.067 176.000 -0.892 0.000 1.058 309 Q CA -1.150 54.173 55.803 -0.800 0.000 0.802 309 Q CB 2.476 30.665 28.738 -0.915 0.000 1.303 309 Q HN 0.662 nan 8.270 nan 0.000 0.444 310 Q N 0.900 120.310 119.800 -0.649 0.000 2.315 310 Q HA 0.687 5.027 4.340 -0.000 0.000 0.273 310 Q C -1.651 174.157 176.000 -0.321 0.000 1.053 310 Q CA -0.625 54.907 55.803 -0.452 0.000 0.817 310 Q CB 1.593 30.122 28.738 -0.347 0.000 1.326 310 Q HN 0.492 nan 8.270 nan 0.000 0.423 311 I N 2.351 122.685 120.570 -0.394 0.000 2.448 311 I HA 0.624 4.794 4.170 -0.000 0.000 0.281 311 I C -0.875 175.083 176.117 -0.264 0.000 1.027 311 I CA 0.100 61.180 61.300 -0.367 0.000 1.111 311 I CB 1.906 39.564 38.000 -0.570 0.000 1.236 311 I HN 0.870 nan 8.210 nan 0.000 0.452 312 S N 4.643 120.093 115.700 -0.417 0.000 2.632 312 S HA 0.887 5.357 4.470 -0.000 0.000 0.289 312 S C -0.993 173.142 174.600 -0.775 0.000 1.115 312 S CA -0.739 57.260 58.200 -0.335 0.000 0.889 312 S CB 1.970 65.146 63.200 -0.040 0.000 1.116 312 S HN 0.146 nan 8.310 nan 0.000 0.486 313 F N -0.486 119.533 119.950 0.115 0.000 2.591 313 F HA 0.672 5.199 4.527 0.000 0.000 0.309 313 F C -0.848 174.869 175.800 -0.138 0.000 1.098 313 F CA -0.948 57.050 58.000 -0.003 0.000 0.937 313 F CB 2.367 41.316 39.000 -0.086 0.000 1.250 313 F HN 0.463 nan 8.300 nan 0.000 0.447 314 V N 2.751 122.659 119.914 -0.010 0.000 2.482 314 V HA 0.322 4.442 4.120 -0.000 0.000 0.295 314 V C -0.706 175.339 176.094 -0.081 0.000 1.026 314 V CA -1.262 60.919 62.300 -0.199 0.000 0.856 314 V CB 1.442 33.075 31.823 -0.317 0.000 1.001 314 V HN 0.835 nan 8.190 nan 0.000 0.424 315 N N 3.212 121.828 118.700 -0.140 0.000 2.727 315 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 315 N C 0.790 176.263 175.510 -0.062 0.000 1.048 315 N CA 1.175 54.165 53.050 -0.101 0.000 0.714 315 N CB -1.300 37.147 38.487 -0.066 0.000 0.959 315 N HN 0.888 nan 8.380 nan 0.000 0.544 316 S N -2.645 113.021 115.700 -0.056 0.000 3.127 316 S HA -0.246 4.224 4.470 -0.000 0.000 0.281 316 S C 0.387 175.021 174.600 0.056 0.000 1.293 316 S CA 1.114 59.289 58.200 -0.042 0.000 1.156 316 S CB -1.143 62.004 63.200 -0.088 0.000 1.389 316 S HN 0.591 nan 8.310 nan 0.000 0.672 317 I N 1.637 122.252 120.570 0.075 0.000 2.428 317 I HA 0.434 4.604 4.170 -0.000 0.000 0.289 317 I C 0.678 176.910 176.117 0.191 0.000 1.019 317 I CA -0.184 61.152 61.300 0.060 0.000 1.351 317 I CB 1.185 39.149 38.000 -0.060 0.000 1.412 317 I HN 0.278 nan 8.210 nan 0.000 0.513 318 A N 4.384 127.316 122.820 0.187 0.000 2.437 318 A HA 0.302 4.622 4.320 -0.000 0.000 0.303 318 A C 0.586 178.174 177.584 0.006 0.000 1.324 318 A CA -0.458 51.658 52.037 0.131 0.000 0.983 318 A CB -0.634 18.502 19.000 0.227 0.000 1.142 318 A HN 0.763 nan 8.150 nan 0.000 0.541 319 T N 0.927 115.468 114.554 -0.021 0.000 3.781 319 T HA 0.213 4.562 4.350 -0.000 0.000 0.286 319 T C 1.253 175.978 174.700 0.042 0.000 1.277 319 T CA 0.070 62.219 62.100 0.083 0.000 1.136 319 T CB -0.250 68.767 68.868 0.248 0.000 1.202 319 T HN 0.855 nan 8.240 nan 0.000 0.884 320 S N 2.228 117.954 115.700 0.044 0.000 2.442 320 S HA -0.105 4.364 4.470 -0.000 0.000 0.236 320 S C 1.493 176.139 174.600 0.077 0.000 1.007 320 S CA 0.381 58.618 58.200 0.062 0.000 0.965 320 S CB -0.307 62.960 63.200 0.112 0.000 0.773 320 S HN 0.704 nan 8.310 nan 0.000 0.504 321 K N 1.122 121.580 120.400 0.096 0.000 2.358 321 K HA 0.375 4.695 4.320 -0.000 0.000 0.197 321 K C 1.247 177.916 176.600 0.115 0.000 1.025 321 K CA 0.266 56.614 56.287 0.103 0.000 1.104 321 K CB 0.376 32.940 32.500 0.107 0.000 0.855 321 K HN 0.508 nan 8.250 nan 0.000 0.531 322 G N 0.734 109.603 108.800 0.116 0.000 2.496 322 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.243 322 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.243 322 G C 0.104 175.129 174.900 0.209 0.000 1.176 322 G CA -0.652 44.507 45.100 0.097 0.000 0.940 322 G HN 0.615 nan 8.290 nan 0.000 0.573 323 G N -2.686 106.191 108.800 0.127 0.000 2.369 323 G HA2 0.511 4.471 3.960 -0.000 0.000 0.295 323 G HA3 0.511 4.471 3.960 -0.000 0.000 0.295 323 G C 0.392 175.430 174.900 0.230 0.000 1.298 323 G CA 0.514 45.762 45.100 0.246 0.000 0.940 323 G HN 1.094 nan 8.290 nan 0.000 0.536 324 R N 0.065 120.766 120.500 0.334 0.000 2.159 324 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 324 R C 2.227 178.866 176.300 0.565 0.000 1.131 324 R CA 2.084 58.411 56.100 0.379 0.000 0.982 324 R CB -0.800 29.725 30.300 0.376 0.000 0.868 324 R HN 0.825 nan 8.270 nan 0.000 0.453 325 H N -0.613 118.660 119.070 0.338 0.000 2.389 325 H HA 0.035 4.591 4.556 -0.000 0.000 0.299 325 H C 1.936 177.537 175.328 0.455 0.000 1.081 325 H CA 0.973 57.258 56.048 0.396 0.000 1.345 325 H CB -0.823 28.960 29.762 0.036 0.000 1.393 325 H HN -0.082 nan 8.280 nan 0.000 0.520 326 V N 2.085 121.867 119.914 -0.221 0.000 2.379 326 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 326 V C 2.089 178.254 176.094 0.120 0.000 1.044 326 V CA 1.882 64.139 62.300 -0.072 0.000 1.036 326 V CB -0.316 31.415 31.823 -0.153 0.000 0.664 326 V HN 0.293 nan 8.190 nan 0.000 0.453 327 D N -0.550 119.929 120.400 0.131 0.000 2.104 327 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 327 D C 1.952 178.353 176.300 0.169 0.000 0.994 327 D CA 1.677 55.747 54.000 0.117 0.000 0.830 327 D CB -0.446 40.424 40.800 0.116 0.000 0.959 327 D HN 0.515 nan 8.370 nan 0.000 0.452 328 Y N 1.835 122.208 120.300 0.122 0.000 2.081 328 Y HA -0.265 4.285 4.550 -0.000 0.000 0.280 328 Y C 2.240 178.149 175.900 0.014 0.000 1.163 328 Y CA 1.234 59.389 58.100 0.090 0.000 1.135 328 Y CB -0.540 38.063 38.460 0.237 0.000 0.970 328 Y HN -0.173 nan 8.280 nan 0.000 0.498 329 V N 0.031 119.920 119.914 -0.041 0.000 2.407 329 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 329 V C 2.645 178.700 176.094 -0.065 0.000 1.041 329 V CA 1.581 63.774 62.300 -0.178 0.000 1.040 329 V CB -1.430 30.398 31.823 0.008 0.000 0.671 329 V HN 0.529 nan 8.190 nan 0.000 0.455 330 A N -0.111 122.737 122.820 0.048 0.000 1.898 330 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 330 A C 1.988 179.576 177.584 0.007 0.000 1.181 330 A CA 1.807 53.891 52.037 0.079 0.000 0.620 330 A CB -0.576 18.500 19.000 0.128 0.000 0.819 330 A HN 0.529 nan 8.150 nan 0.000 0.442 331 D N 0.057 120.443 120.400 -0.023 0.000 2.149 331 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 331 D C 2.258 178.533 176.300 -0.042 0.000 0.990 331 D CA 1.783 55.763 54.000 -0.034 0.000 0.839 331 D CB -0.422 40.368 40.800 -0.015 0.000 0.948 331 D HN 0.880 nan 8.370 nan 0.000 0.460 332 Q N 0.232 119.982 119.800 -0.084 0.000 2.230 332 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 332 Q C 2.261 178.235 176.000 -0.044 0.000 0.963 332 Q CA 0.746 56.493 55.803 -0.094 0.000 0.866 332 Q CB -0.247 28.378 28.738 -0.188 0.000 0.931 332 Q HN 0.277 nan 8.270 nan 0.000 0.452 333 I N 0.841 121.403 120.570 -0.013 0.000 2.233 333 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 333 I C 2.241 178.386 176.117 0.048 0.000 1.093 333 I CA 0.678 62.012 61.300 0.057 0.000 1.380 333 I CB -0.192 37.886 38.000 0.130 0.000 1.067 333 I HN 0.066 nan 8.210 nan 0.000 0.413 334 V N 1.266 121.199 119.914 0.031 0.000 2.255 334 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 334 V C 2.773 178.871 176.094 0.008 0.000 1.051 334 V CA 2.715 65.027 62.300 0.019 0.000 1.018 334 V CB -1.352 30.468 31.823 -0.005 0.000 0.641 334 V HN 0.649 nan 8.190 nan 0.000 0.445 335 T N -1.333 113.219 114.554 -0.003 0.000 2.720 335 T HA -0.267 4.082 4.350 -0.000 0.000 0.268 335 T C 1.806 176.505 174.700 -0.001 0.000 1.037 335 T CA 1.706 63.803 62.100 -0.006 0.000 1.144 335 T CB -0.368 68.491 68.868 -0.014 0.000 0.864 335 T HN 0.480 nan 8.240 nan 0.000 0.444 336 K N 0.836 121.238 120.400 0.003 0.000 2.062 336 K HA 0.188 4.508 4.320 -0.000 0.000 0.205 336 K C 2.400 179.009 176.600 0.014 0.000 1.051 336 K CA 1.039 57.332 56.287 0.009 0.000 0.941 336 K CB -0.346 32.165 32.500 0.018 0.000 0.719 336 K HN 0.327 nan 8.250 nan 0.000 0.440 337 L N 0.845 122.080 121.223 0.021 0.000 2.217 337 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 337 L C 2.658 179.530 176.870 0.003 0.000 1.107 337 L CA 0.703 55.552 54.840 0.016 0.000 0.783 337 L CB -0.732 41.344 42.059 0.028 0.000 0.919 337 L HN 0.133 nan 8.230 nan 0.000 0.442 338 V N -0.814 119.101 119.914 0.002 0.000 2.626 338 V HA -0.303 3.817 4.120 -0.000 0.000 0.252 338 V C 2.164 178.254 176.094 -0.006 0.000 1.067 338 V CA 2.539 64.835 62.300 -0.006 0.000 1.081 338 V CB -0.406 31.414 31.823 -0.005 0.000 0.686 338 V HN 0.358 nan 8.190 nan 0.000 0.468 339 D N 0.251 120.649 120.400 -0.003 0.000 2.110 339 D HA -0.133 4.507 4.640 -0.000 0.000 0.202 339 D C 2.183 178.480 176.300 -0.005 0.000 0.975 339 D CA 2.130 56.128 54.000 -0.004 0.000 0.839 339 D CB 0.371 41.170 40.800 -0.002 0.000 0.996 339 D HN 0.516 nan 8.370 nan 0.000 0.464 340 V N 0.022 119.934 119.914 -0.004 0.000 2.546 340 V HA -0.175 3.944 4.120 -0.000 0.000 0.254 340 V C 2.500 178.588 176.094 -0.010 0.000 1.076 340 V CA 1.339 63.636 62.300 -0.006 0.000 1.087 340 V CB -1.062 30.758 31.823 -0.004 0.000 0.674 340 V HN 0.065 nan 8.190 nan 0.000 0.470 341 V N -0.113 119.793 119.914 -0.013 0.000 2.591 341 V HA -0.072 4.048 4.120 -0.000 0.000 0.249 341 V C 2.773 178.858 176.094 -0.015 0.000 1.053 341 V CA 1.836 64.125 62.300 -0.018 0.000 1.068 341 V CB -0.693 31.115 31.823 -0.025 0.000 0.689 341 V HN 0.459 nan 8.190 nan 0.000 0.462 342 K N 0.789 121.182 120.400 -0.011 0.000 2.155 342 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 342 K C 1.586 178.181 176.600 -0.008 0.000 1.052 342 K CA 0.925 57.206 56.287 -0.009 0.000 0.948 342 K CB -0.281 32.215 32.500 -0.007 0.000 0.728 342 K HN 0.420 nan 8.250 nan 0.000 0.448 343 K N 1.095 121.491 120.400 -0.007 0.000 2.627 343 K HA 0.067 4.387 4.320 -0.000 0.000 0.212 343 K C 0.978 177.574 176.600 -0.007 0.000 1.041 343 K CA 0.221 56.505 56.287 -0.006 0.000 1.205 343 K CB 0.246 32.743 32.500 -0.005 0.000 0.936 343 K HN 0.055 nan 8.250 nan 0.000 0.489 344 K N 1.136 121.531 120.400 -0.009 0.000 2.644 344 K HA 0.104 4.424 4.320 -0.000 0.000 0.198 344 K C -0.461 176.134 176.600 -0.010 0.000 1.113 344 K CA -0.263 56.018 56.287 -0.010 0.000 1.073 344 K CB -0.375 32.118 32.500 -0.012 0.000 0.811 344 K HN 0.623 nan 8.250 nan 0.000 0.508 352 K N 0.685 121.064 120.400 -0.036 0.000 2.419 352 K HA 0.979 5.299 4.320 -0.000 0.000 0.246 352 K C 1.039 177.618 176.600 -0.034 0.000 1.037 352 K CA 0.252 56.532 56.287 -0.011 0.000 0.982 352 K CB 1.009 33.528 32.500 0.032 0.000 1.283 352 K HN 1.532 nan 8.250 nan 0.000 0.500 353 A N 0.050 122.890 122.820 0.034 0.000 1.861 353 A HA -0.029 4.291 4.320 -0.000 0.000 0.212 353 A C 2.049 179.638 177.584 0.008 0.000 1.199 353 A CA 1.688 53.739 52.037 0.025 0.000 0.613 353 A CB -0.820 18.209 19.000 0.047 0.000 0.846 353 A HN 1.023 nan 8.150 nan 0.000 0.446 354 H N -0.060 119.001 119.070 -0.015 0.000 2.456 354 H HA -0.104 4.452 4.556 -0.000 0.000 0.296 354 H C 1.605 176.949 175.328 0.027 0.000 1.079 354 H CA 1.581 57.618 56.048 -0.017 0.000 1.322 354 H CB -0.622 29.131 29.762 -0.015 0.000 1.388 354 H HN 0.621 nan 8.280 nan 0.000 0.538 355 Q N 0.586 120.018 119.800 -0.612 0.000 2.124 355 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 355 Q C 2.700 178.697 176.000 -0.005 0.000 0.977 355 Q CA 1.515 57.117 55.803 -0.336 0.000 0.850 355 Q CB 0.214 28.750 28.738 -0.337 0.000 0.901 355 Q HN 0.322 nan 8.270 nan 0.000 0.429 356 V N 0.945 120.850 119.914 -0.016 0.000 2.346 356 V HA -0.199 3.921 4.120 -0.000 0.000 0.244 356 V C 2.137 178.309 176.094 0.130 0.000 1.037 356 V CA 1.544 63.880 62.300 0.062 0.000 1.029 356 V CB -0.374 31.459 31.823 0.017 0.000 0.663 356 V HN 0.245 nan 8.190 nan 0.000 0.454 357 K N 0.434 120.873 120.400 0.065 0.000 2.280 357 K HA -0.225 4.095 4.320 -0.000 0.000 0.202 357 K C 1.880 178.595 176.600 0.191 0.000 1.047 357 K CA 1.490 57.815 56.287 0.063 0.000 0.942 357 K CB -0.205 32.205 32.500 -0.150 0.000 0.739 357 K HN 0.468 nan 8.250 nan 0.000 0.457 358 N N -0.121 118.664 118.700 0.141 0.000 2.381 358 N HA -0.129 4.611 4.740 -0.000 0.000 0.182 358 N C 0.383 175.858 175.510 -0.057 0.000 1.025 358 N CA 1.143 54.230 53.050 0.061 0.000 0.888 358 N CB 0.112 38.582 38.487 -0.029 0.000 0.965 358 N HN 0.265 nan 8.380 nan 0.000 0.438 359 H N -1.419 117.721 119.070 0.117 0.000 2.505 359 H HA 0.368 4.923 4.556 -0.000 0.000 0.286 359 H C -0.521 174.904 175.328 0.163 0.000 1.072 359 H CA -0.131 55.984 56.048 0.111 0.000 1.141 359 H CB 0.179 29.986 29.762 0.076 0.000 1.550 359 H HN 0.147 nan 8.280 nan 0.000 0.547 360 M N 0.483 120.272 119.600 0.315 0.000 2.268 360 M HA 0.191 4.671 4.480 -0.000 0.000 0.344 360 M C -1.167 175.299 176.300 0.278 0.000 1.106 360 M CA -0.640 54.866 55.300 0.344 0.000 1.010 360 M CB 1.987 34.851 32.600 0.440 0.000 1.649 360 M HN 0.237 nan 8.290 nan 0.000 0.443 361 W N 6.412 127.738 121.300 0.043 0.000 2.393 361 W HA 0.642 5.302 4.660 -0.000 0.000 0.315 361 W C -2.200 174.315 176.519 -0.007 0.000 1.009 361 W CA -1.340 55.951 57.345 -0.089 0.000 1.313 361 W CB 0.666 30.122 29.460 -0.006 0.000 1.269 361 W HN 0.609 nan 8.180 nan 0.000 0.420 362 I N 5.882 126.569 120.570 0.194 0.000 2.603 362 I HA 0.530 4.700 4.170 -0.000 0.000 0.300 362 I C -1.478 174.643 176.117 0.007 0.000 1.017 362 I CA -0.847 60.568 61.300 0.192 0.000 1.098 362 I CB 1.522 39.673 38.000 0.252 0.000 1.279 362 I HN 0.086 nan 8.210 nan 0.000 0.437 363 F N 6.032 126.061 119.950 0.133 0.000 2.467 363 F HA 0.603 5.130 4.527 -0.000 0.000 0.336 363 F C -0.487 175.558 175.800 0.408 0.000 1.123 363 F CA -0.696 57.447 58.000 0.239 0.000 0.964 363 F CB 1.938 41.026 39.000 0.147 0.000 1.136 363 F HN -0.041 nan 8.300 nan 0.000 0.447 364 V N 2.845 123.059 119.914 0.499 0.000 2.577 364 V HA 0.412 4.532 4.120 -0.000 0.000 0.303 364 V C -1.089 175.062 176.094 0.096 0.000 1.042 364 V CA -0.865 61.627 62.300 0.321 0.000 0.872 364 V CB 2.058 34.041 31.823 0.268 0.000 0.998 364 V HN 0.672 nan 8.190 nan 0.000 0.423 365 N N 3.276 121.806 118.700 -0.283 0.000 2.479 365 N HA 0.773 5.513 4.740 -0.000 0.000 0.261 365 N C -0.672 174.589 175.510 -0.414 0.000 0.979 365 N CA -0.007 52.728 53.050 -0.525 0.000 0.930 365 N CB 1.775 39.477 38.487 -1.309 0.000 1.172 365 N HN 0.965 nan 8.380 nan 0.000 0.499 366 A N 2.980 125.523 122.820 -0.461 0.000 2.469 366 A HA 0.729 5.049 4.320 -0.000 0.000 0.299 366 A C -1.365 175.821 177.584 -0.664 0.000 1.098 366 A CA -0.637 50.884 52.037 -0.861 0.000 0.737 366 A CB 1.127 19.209 19.000 -1.531 0.000 1.312 366 A HN 0.590 nan 8.150 nan 0.000 0.414 367 L N 1.785 122.587 121.223 -0.702 0.000 2.319 367 L HA 0.510 4.850 4.340 -0.000 0.000 0.281 367 L C -1.405 175.207 176.870 -0.430 0.000 1.005 367 L CA -0.451 54.135 54.840 -0.424 0.000 0.828 367 L CB 1.352 43.246 42.059 -0.276 0.000 1.227 367 L HN 0.560 nan 8.230 nan 0.000 0.415 368 I N 2.409 122.768 120.570 -0.351 0.000 2.509 368 I HA 0.256 4.426 4.170 -0.000 0.000 0.293 368 I C 0.104 176.140 176.117 -0.135 0.000 1.020 368 I CA -0.421 60.708 61.300 -0.286 0.000 1.088 368 I CB 1.998 39.737 38.000 -0.436 0.000 1.267 368 I HN 0.450 nan 8.210 nan 0.000 0.430 369 E N 5.170 125.342 120.200 -0.047 0.000 2.290 369 E HA 0.180 4.530 4.350 -0.000 0.000 0.277 369 E C -0.466 176.127 176.600 -0.012 0.000 1.035 369 E CA -0.224 56.167 56.400 -0.014 0.000 0.873 369 E CB 0.216 29.929 29.700 0.021 0.000 1.029 369 E HN 0.408 nan 8.360 nan 0.000 0.419 370 N N 2.593 121.285 118.700 -0.013 0.000 2.678 370 N HA -0.133 4.607 4.740 -0.000 0.000 0.268 370 N C -2.487 173.005 175.510 -0.029 0.000 1.010 370 N CA 0.443 53.492 53.050 -0.002 0.000 0.784 370 N CB -1.189 37.305 38.487 0.011 0.000 0.905 370 N HN 0.399 nan 8.380 nan 0.000 0.552 371 P HA 0.101 nan 4.420 nan 0.000 0.272 371 P C 0.088 177.208 177.300 -0.301 0.000 1.223 371 P CA 0.056 63.005 63.100 -0.252 0.000 0.784 371 P CB 0.822 32.295 31.700 -0.378 0.000 0.923 372 T N -0.494 113.794 114.554 -0.443 0.000 2.918 372 T HA 0.761 5.111 4.350 -0.000 0.000 0.286 372 T C -0.575 173.781 174.700 -0.573 0.000 1.026 372 T CA -0.521 61.412 62.100 -0.277 0.000 1.031 372 T CB 0.800 69.606 68.868 -0.103 0.000 1.046 372 T HN 0.231 nan 8.240 nan 0.000 0.479 373 F N -0.340 119.619 119.950 0.015 0.000 2.629 373 F HA 0.428 4.955 4.527 -0.000 0.000 0.316 373 F C 0.960 176.767 175.800 0.013 0.000 1.081 373 F CA -1.272 56.737 58.000 0.015 0.000 0.954 373 F CB 1.535 40.536 39.000 0.002 0.000 1.337 373 F HN 0.473 nan 8.300 nan 0.000 0.474 374 D N 0.029 120.560 120.400 0.219 0.000 2.224 374 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 374 D C 0.475 176.822 176.300 0.078 0.000 0.965 374 D CA 1.276 55.344 54.000 0.114 0.000 0.852 374 D CB 0.221 41.076 40.800 0.092 0.000 0.947 374 D HN 0.428 nan 8.370 nan 0.000 0.494 375 S N -1.348 114.403 115.700 0.086 0.000 2.656 375 S HA 0.246 4.716 4.470 -0.000 0.000 0.273 375 S C 0.463 175.046 174.600 -0.029 0.000 1.168 375 S CA -0.749 57.453 58.200 0.003 0.000 0.817 375 S CB 2.375 65.560 63.200 -0.025 0.000 1.146 375 S HN -0.189 nan 8.310 nan 0.000 0.475 376 Q N 1.251 120.999 119.800 -0.086 0.000 2.226 376 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 376 Q C 1.814 177.735 176.000 -0.131 0.000 0.975 376 Q CA 2.756 58.498 55.803 -0.102 0.000 0.866 376 Q CB -1.132 27.525 28.738 -0.136 0.000 0.915 376 Q HN 0.965 nan 8.270 nan 0.000 0.440 377 T N -2.236 112.250 114.554 -0.114 0.000 3.007 377 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 377 T C 0.312 174.889 174.700 -0.204 0.000 1.107 377 T CA 0.626 62.652 62.100 -0.123 0.000 1.118 377 T CB -0.327 68.501 68.868 -0.067 0.000 0.889 377 T HN 0.456 nan 8.240 nan 0.000 0.506 378 K N 1.140 121.376 120.400 -0.272 0.000 3.148 378 K HA -0.212 4.108 4.320 -0.000 0.000 0.267 378 K C 0.450 176.919 176.600 -0.217 0.000 0.996 378 K CA 0.933 56.885 56.287 -0.559 0.000 0.737 378 K CB -1.430 30.291 32.500 -1.298 0.000 1.308 378 K HN 0.648 nan 8.250 nan 0.000 0.470 379 E N 0.157 120.355 120.200 -0.003 0.000 2.385 379 E HA -0.041 4.308 4.350 -0.000 0.000 0.194 379 E C 0.238 176.943 176.600 0.175 0.000 1.013 379 E CA 0.238 56.681 56.400 0.071 0.000 0.866 379 E CB 0.100 29.837 29.700 0.061 0.000 0.832 379 E HN 0.313 nan 8.360 nan 0.000 0.500 380 N N 0.785 119.637 118.700 0.253 0.000 2.504 380 N HA 0.095 4.835 4.740 -0.000 0.000 0.280 380 N C -1.226 174.485 175.510 0.334 0.000 1.052 380 N CA -0.302 52.907 53.050 0.264 0.000 0.887 380 N CB 0.941 39.532 38.487 0.173 0.000 1.323 380 N HN -0.138 nan 8.380 nan 0.000 0.509 381 M N 3.527 123.284 119.600 0.262 0.000 2.105 381 M HA 0.189 4.668 4.480 -0.000 0.000 0.350 381 M C 0.575 176.854 176.300 -0.036 0.000 1.308 381 M CA 0.104 55.332 55.300 -0.121 0.000 1.108 381 M CB 0.372 32.804 32.600 -0.280 0.000 1.622 381 M HN 0.757 nan 8.290 nan 0.000 0.468 382 T N 2.571 117.056 114.554 -0.115 0.000 3.060 382 T HA 0.134 4.483 4.350 -0.000 0.000 0.249 382 T C 0.651 175.351 174.700 0.000 0.000 1.079 382 T CA -0.362 61.730 62.100 -0.013 0.000 1.013 382 T CB -0.022 68.842 68.868 -0.006 0.000 0.975 382 T HN 0.511 nan 8.240 nan 0.000 0.518 383 L N 3.051 124.258 121.223 -0.026 0.000 2.490 383 L HA 0.197 4.537 4.340 -0.000 0.000 0.274 383 L C 0.291 177.240 176.870 0.131 0.000 1.201 383 L CA 0.175 55.046 54.840 0.051 0.000 0.869 383 L CB 0.249 42.349 42.059 0.068 0.000 1.123 383 L HN 0.228 nan 8.230 nan 0.000 0.484 384 Q N 6.210 125.992 119.800 -0.030 0.000 2.364 384 Q HA 0.089 4.428 4.340 -0.000 0.000 0.267 384 Q C -1.638 173.983 176.000 -0.632 0.000 0.999 384 Q CA -1.372 54.312 55.803 -0.199 0.000 0.886 384 Q CB 0.591 29.230 28.738 -0.164 0.000 1.243 384 Q HN 0.521 nan 8.270 nan 0.000 0.415 385 P HA -0.249 nan 4.420 nan 0.000 0.216 385 P C 0.998 177.624 177.300 -1.123 0.000 1.153 385 P CA 1.842 63.772 63.100 -1.951 0.000 0.858 385 P CB 0.105 31.107 31.700 -1.164 0.000 0.789 386 K N -0.983 119.074 120.400 -0.571 0.000 2.360 386 K HA -0.028 4.292 4.320 -0.000 0.000 0.201 386 K C 1.175 177.642 176.600 -0.221 0.000 1.046 386 K CA 1.640 57.739 56.287 -0.313 0.000 0.940 386 K CB -0.641 31.741 32.500 -0.197 0.000 0.748 386 K HN 0.014 nan 8.250 nan 0.000 0.465 387 S N 0.069 115.626 115.700 -0.238 0.000 2.539 387 S HA 0.179 4.649 4.470 -0.000 0.000 0.221 387 S C 0.767 175.423 174.600 0.094 0.000 0.987 387 S CA -0.607 57.555 58.200 -0.063 0.000 0.929 387 S CB -0.072 63.105 63.200 -0.038 0.000 0.832 387 S HN 0.162 nan 8.310 nan 0.000 0.492 388 F N 2.189 122.112 119.950 -0.045 0.000 2.161 388 F HA 0.043 4.570 4.527 -0.000 0.000 0.300 388 F C 2.321 178.138 175.800 0.027 0.000 1.089 388 F CA 0.952 58.954 58.000 0.003 0.000 1.282 388 F CB -1.213 37.832 39.000 0.074 0.000 1.010 388 F HN 0.405 nan 8.300 nan 0.000 0.485 389 G N -0.503 108.428 108.800 0.219 0.000 2.159 389 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.227 389 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.227 389 G C 0.201 175.202 174.900 0.167 0.000 0.986 389 G CA 0.414 45.597 45.100 0.139 0.000 0.651 389 G HN 0.826 nan 8.290 nan 0.000 0.523 390 S N -1.691 114.160 115.700 0.253 0.000 2.636 390 S HA 0.854 5.324 4.470 -0.000 0.000 0.266 390 S C -0.599 174.156 174.600 0.258 0.000 1.147 390 S CA 0.523 58.886 58.200 0.272 0.000 0.815 390 S CB 2.033 65.470 63.200 0.395 0.000 1.119 390 S HN 1.747 nan 8.310 nan 0.000 0.470 391 T N -2.356 112.286 114.554 0.146 0.000 2.926 391 T HA 0.766 5.116 4.350 -0.000 0.000 0.289 391 T C -0.688 173.895 174.700 -0.195 0.000 1.054 391 T CA -0.834 61.292 62.100 0.044 0.000 1.015 391 T CB 1.471 70.367 68.868 0.046 0.000 1.167 391 T HN 1.489 nan 8.240 nan 0.000 0.526 392 C N 2.248 121.403 119.300 -0.242 0.000 3.362 392 C HA 0.432 4.892 4.460 -0.000 0.000 0.276 392 C C -0.607 174.096 174.990 -0.478 0.000 1.102 392 C CA -0.314 58.360 59.018 -0.574 0.000 1.361 392 C CB -0.724 26.261 27.740 -1.257 0.000 1.822 392 C HN 0.903 nan 8.230 nan 0.000 0.538 393 Q N 4.187 123.813 119.800 -0.289 0.000 2.360 393 Q HA 0.364 4.703 4.340 -0.000 0.000 0.254 393 Q C -0.334 175.520 176.000 -0.243 0.000 0.975 393 Q CA -0.526 55.124 55.803 -0.256 0.000 0.912 393 Q CB 1.324 29.974 28.738 -0.147 0.000 1.212 393 Q HN 0.609 nan 8.270 nan 0.000 0.452 394 L N 2.488 123.526 121.223 -0.308 0.000 2.490 394 L HA 0.028 4.367 4.340 -0.000 0.000 0.274 394 L C 1.174 177.957 176.870 -0.146 0.000 1.201 394 L CA 0.722 55.353 54.840 -0.349 0.000 0.869 394 L CB 0.092 41.842 42.059 -0.515 0.000 1.123 394 L HN 0.683 nan 8.230 nan 0.000 0.484 395 S N 1.907 117.565 115.700 -0.071 0.000 2.596 395 S HA 0.231 4.701 4.470 -0.000 0.000 0.260 395 S C 1.282 175.928 174.600 0.076 0.000 1.336 395 S CA 0.172 58.382 58.200 0.015 0.000 0.993 395 S CB 0.721 63.947 63.200 0.043 0.000 0.923 395 S HN 0.677 nan 8.310 nan 0.000 0.567 396 E N 0.598 120.831 120.200 0.054 0.000 2.106 396 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 396 E C 1.902 178.547 176.600 0.075 0.000 0.984 396 E CA 1.562 57.996 56.400 0.056 0.000 0.806 396 E CB -0.783 28.935 29.700 0.031 0.000 0.750 396 E HN 0.810 nan 8.360 nan 0.000 0.458 397 K N -1.381 119.066 120.400 0.079 0.000 2.147 397 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 397 K C 1.940 178.594 176.600 0.090 0.000 1.049 397 K CA 1.445 57.773 56.287 0.069 0.000 0.936 397 K CB -0.305 32.234 32.500 0.064 0.000 0.722 397 K HN 0.400 nan 8.250 nan 0.000 0.446 398 F N 1.224 121.168 119.950 -0.011 0.000 2.149 398 F HA -0.080 4.447 4.527 -0.000 0.000 0.294 398 F C 1.732 177.530 175.800 -0.005 0.000 1.095 398 F CA 0.770 58.764 58.000 -0.010 0.000 1.276 398 F CB -0.031 38.956 39.000 -0.022 0.000 1.023 398 F HN -0.087 nan 8.300 nan 0.000 0.480 399 I N 1.810 122.570 120.570 0.316 0.000 2.286 399 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 399 I C 2.283 178.428 176.117 0.047 0.000 1.115 399 I CA 1.758 63.175 61.300 0.195 0.000 1.392 399 I CB -1.494 36.588 38.000 0.138 0.000 1.065 399 I HN 0.335 nan 8.210 nan 0.000 0.418 400 K N 1.608 122.022 120.400 0.022 0.000 2.076 400 K HA 0.034 4.354 4.320 -0.000 0.000 0.204 400 K C 2.215 178.785 176.600 -0.049 0.000 1.051 400 K CA 1.270 57.551 56.287 -0.009 0.000 0.949 400 K CB -0.523 31.977 32.500 0.000 0.000 0.726 400 K HN 0.088 nan 8.250 nan 0.000 0.443 401 A N 1.707 124.474 122.820 -0.088 0.000 1.978 401 A HA -0.038 4.282 4.320 -0.000 0.000 0.220 401 A C 2.441 179.921 177.584 -0.174 0.000 1.170 401 A CA 1.747 53.705 52.037 -0.132 0.000 0.636 401 A CB -0.751 18.144 19.000 -0.176 0.000 0.810 401 A HN 0.515 nan 8.150 nan 0.000 0.448 402 A N -0.265 122.421 122.820 -0.224 0.000 1.970 402 A HA 0.211 4.531 4.320 -0.000 0.000 0.216 402 A C 2.262 179.803 177.584 -0.071 0.000 1.170 402 A CA 1.475 53.400 52.037 -0.188 0.000 0.645 402 A CB -1.056 17.835 19.000 -0.182 0.000 0.816 402 A HN 1.196 nan 8.150 nan 0.000 0.447 403 I N -0.942 119.599 120.570 -0.047 0.000 2.850 403 I HA 0.212 4.382 4.170 -0.000 0.000 0.266 403 I C 1.671 177.771 176.117 -0.027 0.000 1.257 403 I CA 1.695 62.981 61.300 -0.023 0.000 1.465 403 I CB -1.411 36.580 38.000 -0.014 0.000 1.091 403 I HN 0.467 nan 8.210 nan 0.000 0.467 404 G N -1.367 107.410 108.800 -0.039 0.000 4.543 404 G HA2 0.308 4.268 3.960 -0.000 0.000 0.286 404 G HA3 0.308 4.268 3.960 -0.000 0.000 0.286 404 G C 0.783 175.664 174.900 -0.032 0.000 1.112 404 G CA 0.807 45.888 45.100 -0.032 0.000 0.870 404 G HN 1.055 nan 8.290 nan 0.000 0.540 405 C N -2.113 117.169 119.300 -0.031 0.000 2.791 405 C HA 0.612 5.072 4.460 -0.000 0.000 0.270 405 C C 1.973 176.967 174.990 0.007 0.000 1.257 405 C CA 0.374 59.380 59.018 -0.020 0.000 1.699 405 C CB -0.553 27.171 27.740 -0.026 0.000 1.904 405 C HN 1.108 nan 8.230 nan 0.000 0.603 406 G N 1.143 109.944 108.800 0.002 0.000 2.231 406 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.206 406 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.206 406 G C 0.558 175.456 174.900 -0.004 0.000 0.996 406 G CA 0.338 45.443 45.100 0.008 0.000 0.645 406 G HN 0.496 nan 8.290 nan 0.000 0.498 407 I N 0.768 121.339 120.570 0.003 0.000 2.133 407 I HA -0.130 4.040 4.170 -0.000 0.000 0.238 407 I C 2.770 178.832 176.117 -0.092 0.000 1.074 407 I CA 1.615 62.901 61.300 -0.024 0.000 1.342 407 I CB -0.619 37.404 38.000 0.039 0.000 1.053 407 I HN 0.120 nan 8.210 nan 0.000 0.404 408 V N 0.921 120.804 119.914 -0.052 0.000 2.332 408 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 408 V C 2.494 178.546 176.094 -0.070 0.000 1.055 408 V CA 2.287 64.553 62.300 -0.057 0.000 1.038 408 V CB -0.784 31.019 31.823 -0.032 0.000 0.651 408 V HN 0.510 nan 8.190 nan 0.000 0.450 409 E N 0.164 120.329 120.200 -0.057 0.000 2.110 409 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 409 E C 2.288 178.845 176.600 -0.072 0.000 0.988 409 E CA 1.513 57.883 56.400 -0.050 0.000 0.804 409 E CB -0.092 29.590 29.700 -0.031 0.000 0.745 409 E HN 0.609 nan 8.360 nan 0.000 0.458 410 S N 0.517 116.149 115.700 -0.114 0.000 2.368 410 S HA -0.083 4.386 4.470 -0.000 0.000 0.225 410 S C 1.184 175.666 174.600 -0.197 0.000 1.030 410 S CA 0.431 58.535 58.200 -0.160 0.000 0.999 410 S CB -0.063 62.975 63.200 -0.270 0.000 0.844 410 S HN 0.227 nan 8.310 nan 0.000 0.459 411 I N 0.000 120.431 120.570 -0.232 0.000 2.984 411 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 411 I CA 0.000 61.199 61.300 -0.168 0.000 1.566 411 I CB 0.000 37.913 38.000 -0.146 0.000 1.214 411 I HN 0.000 nan 8.210 nan 0.000 0.494