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 3fmx_1_X DATA FIRST_RESID 5 DATA SEQUENCE SFRIAAIPGD GIGLEVLPEG IRVLEAAALK HGLALEFDTF EWASCDYYLQ DATA SEQUENCE HGKMMPDDWA EQLKQYDAIY FGAVGWPDKV PDHISLWGSL LKFRREFDQY DATA SEQUENCE VNIRPVRLFP GVPCALANRK VGDIDFVVVR ENTEGEYSSL GGIMFENTEN DATA SEQUENCE EIVIQESIFT RRGVDRILKY AFDLAEKRER KHVTSATKSN GMAISMPYWD DATA SEQUENCE KRTEAMAAHY PHVSWDKQHI DILCARFVLQ PERFDVVVXA SNLFGDILSD DATA SEQUENCE LGPACAGTIG IAPSANLNPE RNFPSLFEPV HGSAPDIFGK NIANPIAMIW DATA SEQUENCE SGALMLEFLG QGDERYQRAH DDMLNAIERV IADGSVTPDM GGTLSTQQVG DATA SEQUENCE AAISDTLARL 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.734 174.600 0.223 0.000 1.055 5 S CA 0.000 58.226 58.200 0.044 0.000 1.107 5 S CB 0.000 63.222 63.200 0.037 0.000 0.593 6 F N 2.294 122.222 119.950 -0.038 0.000 2.370 6 F HA 0.664 5.191 4.527 0.001 0.000 0.324 6 F C 1.286 177.040 175.800 -0.076 0.000 1.116 6 F CA -1.198 56.761 58.000 -0.069 0.000 1.123 6 F CB 1.104 40.052 39.000 -0.086 0.000 1.238 6 F HN 0.576 nan 8.300 nan 0.000 0.536 7 R N 2.361 122.919 120.500 0.097 0.000 2.502 7 R HA 0.621 4.961 4.340 0.001 0.000 0.300 7 R C -1.406 174.995 176.300 0.168 0.000 0.984 7 R CA -0.655 55.469 56.100 0.040 0.000 0.882 7 R CB 2.225 32.415 30.300 -0.182 0.000 1.180 7 R HN 0.474 nan 8.270 nan 0.000 0.444 8 I N 1.794 122.487 120.570 0.204 0.000 2.404 8 I HA 0.451 4.621 4.170 0.001 0.000 0.293 8 I C 0.037 176.430 176.117 0.459 0.000 0.992 8 I CA -0.853 60.588 61.300 0.235 0.000 1.149 8 I CB 2.105 40.049 38.000 -0.092 0.000 1.315 8 I HN 0.579 nan 8.210 nan 0.000 0.446 9 A N 5.132 128.178 122.820 0.377 0.000 2.252 9 A HA 0.823 5.144 4.320 0.001 0.000 0.309 9 A C -0.113 177.690 177.584 0.366 0.000 1.285 9 A CA -0.434 51.779 52.037 0.293 0.000 0.900 9 A CB 0.556 19.418 19.000 -0.230 0.000 1.157 9 A HN 0.808 nan 8.150 nan 0.000 0.536 10 A N 3.192 126.283 122.820 0.451 0.000 2.287 10 A HA 0.731 5.051 4.320 0.001 0.000 0.317 10 A C -0.621 177.091 177.584 0.213 0.000 1.220 10 A CA -0.351 51.890 52.037 0.340 0.000 0.835 10 A CB 0.193 19.383 19.000 0.317 0.000 1.180 10 A HN 0.760 nan 8.150 nan 0.000 0.500 11 I N 4.953 125.589 120.570 0.109 0.000 2.476 11 I HA 0.326 4.496 4.170 0.001 0.000 0.281 11 I C -1.752 174.240 176.117 -0.209 0.000 1.040 11 I CA -1.647 59.649 61.300 -0.006 0.000 1.094 11 I CB 2.788 40.855 38.000 0.113 0.000 1.219 11 I HN 0.483 nan 8.210 nan 0.000 0.450 12 P HA 0.003 nan 4.420 nan 0.000 0.222 12 P C 1.056 178.138 177.300 -0.363 0.000 1.153 12 P CA 1.260 64.194 63.100 -0.276 0.000 0.798 12 P CB 0.657 32.258 31.700 -0.164 0.000 0.796 13 G N 0.964 109.591 108.800 -0.289 0.000 2.591 13 G HA2 -0.223 3.737 3.960 0.001 0.000 0.298 13 G HA3 -0.223 3.737 3.960 0.001 0.000 0.298 13 G C -0.459 174.324 174.900 -0.195 0.000 1.195 13 G CA 0.475 45.437 45.100 -0.229 0.000 0.989 13 G HN 0.290 nan 8.290 nan 0.000 0.551 14 D N 1.536 121.821 120.400 -0.190 0.000 2.385 14 D HA 0.513 5.153 4.640 0.001 0.000 0.254 14 D C 1.340 177.458 176.300 -0.303 0.000 1.053 14 D CA 0.817 54.679 54.000 -0.231 0.000 0.992 14 D CB 0.748 41.504 40.800 -0.073 0.000 1.145 14 D HN 1.431 nan 8.370 nan 0.000 0.523 15 G N 1.016 109.439 108.800 -0.628 0.000 2.684 15 G HA2 -0.350 3.610 3.960 0.001 0.000 0.332 15 G HA3 -0.350 3.610 3.960 0.001 0.000 0.332 15 G C 1.240 175.927 174.900 -0.356 0.000 1.306 15 G CA 0.965 45.553 45.100 -0.853 0.000 1.002 15 G HN 0.714 nan 8.290 nan 0.000 0.545 16 I N 0.125 120.747 120.570 0.087 0.000 3.083 16 I HA 0.201 4.371 4.170 0.001 0.000 0.273 16 I C 2.360 178.542 176.117 0.107 0.000 1.297 16 I CA 1.641 63.080 61.300 0.232 0.000 1.452 16 I CB -0.996 37.121 38.000 0.194 0.000 1.078 16 I HN 0.571 nan 8.210 nan 0.000 0.484 17 G N 2.596 111.394 108.800 -0.004 0.000 2.491 17 G HA2 -0.256 3.704 3.960 0.001 0.000 0.218 17 G HA3 -0.256 3.704 3.960 0.001 0.000 0.218 17 G C 1.472 176.323 174.900 -0.081 0.000 1.180 17 G CA 1.264 46.299 45.100 -0.108 0.000 0.774 17 G HN 0.408 nan 8.290 nan 0.000 0.562 18 L N 0.323 121.522 121.223 -0.040 0.000 2.043 18 L HA -0.083 4.258 4.340 0.001 0.000 0.212 18 L C 2.683 179.584 176.870 0.052 0.000 1.075 18 L CA 1.993 56.843 54.840 0.016 0.000 0.752 18 L CB -0.490 41.631 42.059 0.104 0.000 0.891 18 L HN 0.320 nan 8.230 nan 0.000 0.432 19 E N -0.607 119.666 120.200 0.121 0.000 2.028 19 E HA -0.161 4.189 4.350 0.001 0.000 0.190 19 E C 2.110 178.733 176.600 0.038 0.000 0.984 19 E CA 1.509 57.964 56.400 0.092 0.000 0.800 19 E CB 0.064 29.851 29.700 0.146 0.000 0.758 19 E HN 0.389 nan 8.360 nan 0.000 0.448 20 V N -0.593 119.344 119.914 0.039 0.000 3.406 20 V HA -0.003 4.118 4.120 0.001 0.000 0.263 20 V C 2.054 178.130 176.094 -0.031 0.000 1.172 20 V CA 0.600 62.916 62.300 0.027 0.000 1.140 20 V CB -0.126 31.746 31.823 0.083 0.000 0.784 20 V HN 0.162 nan 8.190 nan 0.000 0.467 21 L N 1.332 122.505 121.223 -0.084 0.000 2.056 21 L HA 0.132 4.473 4.340 0.001 0.000 0.207 21 L C -0.120 176.676 176.870 -0.124 0.000 1.078 21 L CA 2.233 56.971 54.840 -0.171 0.000 0.749 21 L CB -1.246 40.694 42.059 -0.197 0.000 0.901 21 L HN 0.297 nan 8.230 nan 0.000 0.433 22 P HA -0.085 nan 4.420 nan 0.000 0.223 22 P C 0.948 178.218 177.300 -0.049 0.000 1.151 22 P CA 1.016 64.070 63.100 -0.077 0.000 0.787 22 P CB 0.105 31.772 31.700 -0.055 0.000 0.788 23 E N -0.961 119.226 120.200 -0.020 0.000 2.478 23 E HA 0.076 4.426 4.350 0.001 0.000 0.194 23 E C 2.010 178.642 176.600 0.052 0.000 1.045 23 E CA 0.562 56.970 56.400 0.012 0.000 0.868 23 E CB -1.042 28.670 29.700 0.022 0.000 0.885 23 E HN 0.199 nan 8.360 nan 0.000 0.505 24 G N 0.439 109.273 108.800 0.056 0.000 2.417 24 G HA2 -0.127 3.834 3.960 0.001 0.000 0.212 24 G HA3 -0.127 3.834 3.960 0.001 0.000 0.212 24 G C 1.563 176.614 174.900 0.251 0.000 1.187 24 G CA 0.189 45.410 45.100 0.202 0.000 0.804 24 G HN 0.186 nan 8.290 nan 0.000 0.534 25 I N 0.356 120.979 120.570 0.089 0.000 2.151 25 I HA -0.223 3.947 4.170 0.001 0.000 0.243 25 I C 2.811 178.884 176.117 -0.074 0.000 1.080 25 I CA 1.355 62.556 61.300 -0.165 0.000 1.339 25 I CB -0.296 37.442 38.000 -0.437 0.000 1.039 25 I HN 0.107 nan 8.210 nan 0.000 0.409 26 R N 1.021 121.501 120.500 -0.034 0.000 2.148 26 R HA -0.224 4.116 4.340 0.001 0.000 0.230 26 R C 2.391 178.715 176.300 0.040 0.000 1.120 26 R CA 2.876 58.975 56.100 -0.002 0.000 0.902 26 R CB -0.624 29.677 30.300 0.001 0.000 0.839 26 R HN 0.385 nan 8.270 nan 0.000 0.431 27 V N -0.076 119.873 119.914 0.058 0.000 3.026 27 V HA -0.117 4.003 4.120 0.001 0.000 0.265 27 V C 1.788 177.934 176.094 0.087 0.000 1.121 27 V CA 1.387 63.726 62.300 0.064 0.000 1.142 27 V CB -0.232 31.626 31.823 0.058 0.000 0.730 27 V HN 0.220 nan 8.190 nan 0.000 0.503 28 L N 0.316 121.613 121.223 0.123 0.000 2.168 28 L HA 0.134 4.474 4.340 0.001 0.000 0.203 28 L C 2.710 179.689 176.870 0.181 0.000 1.078 28 L CA 1.749 56.689 54.840 0.166 0.000 0.780 28 L CB -0.681 41.534 42.059 0.260 0.000 0.939 28 L HN 0.321 nan 8.230 nan 0.000 0.451 29 E N -0.266 120.043 120.200 0.182 0.000 2.204 29 E HA -0.225 4.125 4.350 0.001 0.000 0.195 29 E C 2.168 178.832 176.600 0.107 0.000 0.990 29 E CA 0.976 57.481 56.400 0.175 0.000 0.821 29 E CB -0.185 29.597 29.700 0.138 0.000 0.750 29 E HN 0.507 nan 8.360 nan 0.000 0.477 30 A N 2.054 124.924 122.820 0.083 0.000 1.859 30 A HA -0.200 4.120 4.320 0.001 0.000 0.217 30 A C 2.494 180.128 177.584 0.083 0.000 1.198 30 A CA 2.121 54.196 52.037 0.064 0.000 0.629 30 A CB -0.851 18.180 19.000 0.051 0.000 0.830 30 A HN 0.310 nan 8.150 nan 0.000 0.446 31 A N -0.448 122.437 122.820 0.109 0.000 1.902 31 A HA 0.157 4.477 4.320 0.001 0.000 0.217 31 A C 2.523 180.201 177.584 0.156 0.000 1.181 31 A CA 2.292 54.441 52.037 0.187 0.000 0.623 31 A CB -1.164 17.875 19.000 0.065 0.000 0.818 31 A HN 1.189 nan 8.150 nan 0.000 0.443 32 A N -0.341 122.525 122.820 0.076 0.000 1.859 32 A HA -0.169 4.151 4.320 0.001 0.000 0.218 32 A C 2.110 179.701 177.584 0.011 0.000 1.209 32 A CA 1.999 54.051 52.037 0.025 0.000 0.639 32 A CB -0.889 18.157 19.000 0.077 0.000 0.835 32 A HN 0.512 nan 8.150 nan 0.000 0.450 33 L N -0.162 121.078 121.223 0.029 0.000 2.042 33 L HA -0.160 4.181 4.340 0.001 0.000 0.210 33 L C 2.471 179.324 176.870 -0.028 0.000 1.076 33 L CA 2.535 57.376 54.840 0.002 0.000 0.749 33 L CB -0.538 41.528 42.059 0.011 0.000 0.893 33 L HN 0.554 nan 8.230 nan 0.000 0.432 34 K N -1.864 118.525 120.400 -0.018 0.000 2.280 34 K HA -0.146 4.175 4.320 0.001 0.000 0.202 34 K C 1.031 177.431 176.600 -0.333 0.000 1.047 34 K CA 1.308 57.514 56.287 -0.135 0.000 0.942 34 K CB -0.003 32.445 32.500 -0.088 0.000 0.739 34 K HN 0.551 nan 8.250 nan 0.000 0.457 35 H N -1.798 117.209 119.070 -0.106 0.000 3.078 35 H HA 0.145 4.701 4.556 0.001 0.000 0.263 35 H C 0.151 175.369 175.328 -0.185 0.000 1.177 35 H CA 0.303 56.264 56.048 -0.144 0.000 1.128 35 H CB 1.283 30.939 29.762 -0.178 0.000 1.623 35 H HN 0.347 nan 8.280 nan 0.000 0.592 36 G N 2.164 110.920 108.800 -0.074 0.000 2.351 36 G HA2 -0.256 3.705 3.960 0.001 0.000 0.297 36 G HA3 -0.256 3.705 3.960 0.001 0.000 0.297 36 G C -0.340 174.450 174.900 -0.184 0.000 1.054 36 G CA -0.023 45.015 45.100 -0.104 0.000 1.123 36 G HN 0.246 nan 8.290 nan 0.000 0.512 37 L N -0.110 120.981 121.223 -0.220 0.000 2.333 37 L HA 0.709 5.049 4.340 0.001 0.000 0.280 37 L C 1.001 177.781 176.870 -0.150 0.000 1.004 37 L CA -0.730 53.890 54.840 -0.366 0.000 0.820 37 L CB 2.097 43.789 42.059 -0.611 0.000 1.247 37 L HN 0.370 nan 8.230 nan 0.000 0.416 38 A N 5.848 128.592 122.820 -0.127 0.000 3.052 38 A HA 0.332 4.652 4.320 0.001 0.000 0.266 38 A C 0.121 177.684 177.584 -0.036 0.000 1.855 38 A CA -0.018 51.955 52.037 -0.107 0.000 1.473 38 A CB -0.987 17.903 19.000 -0.184 0.000 1.038 38 A HN 0.606 nan 8.150 nan 0.000 0.619 39 L N 1.365 122.570 121.223 -0.030 0.000 2.272 39 L HA 0.325 4.665 4.340 0.001 0.000 0.284 39 L C 0.518 177.313 176.870 -0.125 0.000 1.045 39 L CA -0.113 54.660 54.840 -0.112 0.000 0.842 39 L CB 0.956 42.932 42.059 -0.138 0.000 1.224 39 L HN 0.495 nan 8.230 nan 0.000 0.430 40 E N 4.285 124.417 120.200 -0.114 0.000 2.561 40 E HA 0.245 4.596 4.350 0.001 0.000 0.225 40 E C -0.534 176.094 176.600 0.048 0.000 1.035 40 E CA -0.658 55.742 56.400 0.001 0.000 0.904 40 E CB 0.468 30.186 29.700 0.030 0.000 1.291 40 E HN 0.264 nan 8.360 nan 0.000 0.444 41 F N 1.221 121.256 119.950 0.142 0.000 2.532 41 F HA 0.095 4.622 4.527 0.001 0.000 0.323 41 F C 1.286 177.169 175.800 0.137 0.000 1.234 41 F CA 0.778 58.875 58.000 0.162 0.000 1.323 41 F CB 0.494 39.574 39.000 0.133 0.000 1.183 41 F HN 0.240 nan 8.300 nan 0.000 0.589 42 D N -0.899 119.731 120.400 0.383 0.000 2.623 42 D HA 0.284 4.924 4.640 0.001 0.000 0.241 42 D C -1.409 174.850 176.300 -0.067 0.000 1.241 42 D CA -0.429 53.624 54.000 0.089 0.000 0.788 42 D CB 2.483 43.320 40.800 0.062 0.000 1.413 42 D HN 0.346 nan 8.370 nan 0.000 0.429 43 T N 1.025 115.365 114.554 -0.358 0.000 2.876 43 T HA 0.613 4.963 4.350 0.001 0.000 0.289 43 T C -0.806 173.495 174.700 -0.664 0.000 1.014 43 T CA -0.464 61.444 62.100 -0.321 0.000 0.986 43 T CB 0.840 69.612 68.868 -0.160 0.000 1.021 43 T HN 0.125 nan 8.240 nan 0.000 0.458 44 F N 1.416 121.172 119.950 -0.324 0.000 2.518 44 F HA 0.379 4.906 4.527 0.001 0.000 0.323 44 F C 1.533 176.986 175.800 -0.578 0.000 1.129 44 F CA -0.995 56.637 58.000 -0.614 0.000 0.920 44 F CB 1.708 39.985 39.000 -1.206 0.000 1.160 44 F HN 0.536 nan 8.300 nan 0.000 0.440 45 E N 2.723 122.746 120.200 -0.295 0.000 2.106 45 E HA -0.125 4.226 4.350 0.001 0.000 0.192 45 E C 0.770 177.305 176.600 -0.108 0.000 0.984 45 E CA 0.864 57.196 56.400 -0.113 0.000 0.806 45 E CB -0.085 29.663 29.700 0.081 0.000 0.750 45 E HN 0.610 nan 8.360 nan 0.000 0.458 46 W N 0.349 121.563 121.300 -0.144 0.000 1.777 46 W HA 0.396 5.056 4.660 0.000 0.000 0.376 46 W C 0.666 177.065 176.519 -0.199 0.000 1.628 46 W CA -0.275 56.770 57.345 -0.500 0.000 1.760 46 W CB -0.071 28.670 29.460 -1.199 0.000 1.367 46 W HN 0.068 nan 8.180 nan 0.000 0.722 47 A N 1.288 124.234 122.820 0.210 0.000 2.667 47 A HA -0.056 4.264 4.320 0.001 0.000 0.298 47 A C 0.119 177.767 177.584 0.106 0.000 1.483 47 A CA 1.109 53.230 52.037 0.140 0.000 0.738 47 A CB -2.174 16.979 19.000 0.255 0.000 1.067 47 A HN 1.471 nan 8.150 nan 0.000 0.451 48 S N -2.443 113.334 115.700 0.130 0.000 2.638 48 S HA 0.625 5.096 4.470 0.001 0.000 0.274 48 S C 0.599 175.290 174.600 0.152 0.000 1.157 48 S CA -0.161 58.093 58.200 0.090 0.000 0.826 48 S CB 1.353 64.588 63.200 0.059 0.000 1.139 48 S HN 1.019 nan 8.310 nan 0.000 0.474 49 C N 0.869 120.208 119.300 0.066 0.000 2.594 49 C HA 0.176 4.637 4.460 0.001 0.000 0.265 49 C C 1.879 176.939 174.990 0.117 0.000 1.351 49 C CA 0.164 59.241 59.018 0.099 0.000 1.744 49 C CB -1.385 26.379 27.740 0.040 0.000 1.890 49 C HN 0.850 nan 8.230 nan 0.000 0.551 50 D N 0.176 120.618 120.400 0.071 0.000 2.091 50 D HA -0.131 4.509 4.640 0.001 0.000 0.199 50 D C 1.695 178.107 176.300 0.187 0.000 0.980 50 D CA 1.277 55.325 54.000 0.080 0.000 0.831 50 D CB -0.501 40.325 40.800 0.044 0.000 0.987 50 D HN 0.564 nan 8.370 nan 0.000 0.460 51 Y N 0.339 120.739 120.300 0.167 0.000 2.165 51 Y HA -0.332 4.219 4.550 0.001 0.000 0.286 51 Y C 2.397 178.478 175.900 0.302 0.000 1.155 51 Y CA 1.631 59.903 58.100 0.286 0.000 1.164 51 Y CB -0.415 38.187 38.460 0.236 0.000 0.978 51 Y HN 0.008 nan 8.280 nan 0.000 0.513 52 Y N -0.779 119.667 120.300 0.243 0.000 2.200 52 Y HA -0.230 4.321 4.550 0.001 0.000 0.290 52 Y C 2.054 177.979 175.900 0.043 0.000 1.137 52 Y CA 1.413 59.594 58.100 0.135 0.000 1.163 52 Y CB -0.461 38.062 38.460 0.105 0.000 0.988 52 Y HN 0.143 nan 8.280 nan 0.000 0.518 53 L N 0.759 122.097 121.223 0.192 0.000 2.042 53 L HA -0.260 4.080 4.340 0.001 0.000 0.210 53 L C 2.609 179.419 176.870 -0.099 0.000 1.076 53 L CA 2.023 56.900 54.840 0.062 0.000 0.749 53 L CB -1.263 40.843 42.059 0.078 0.000 0.893 53 L HN 0.389 nan 8.230 nan 0.000 0.432 54 Q N -1.609 118.113 119.800 -0.129 0.000 2.049 54 Q HA -0.160 4.181 4.340 0.001 0.000 0.198 54 Q C 1.795 177.493 176.000 -0.504 0.000 0.971 54 Q CA 1.346 56.960 55.803 -0.315 0.000 0.833 54 Q CB 0.083 28.608 28.738 -0.355 0.000 0.896 54 Q HN 0.626 nan 8.270 nan 0.000 0.434 55 H N -2.624 116.212 119.070 -0.390 0.000 2.648 55 H HA 0.213 4.769 4.556 0.001 0.000 0.265 55 H C 1.164 176.288 175.328 -0.339 0.000 0.961 55 H CA 0.723 56.534 56.048 -0.395 0.000 1.185 55 H CB 1.476 30.867 29.762 -0.617 0.000 1.449 55 H HN 0.531 nan 8.280 nan 0.000 0.523 56 G N 1.837 110.401 108.800 -0.393 0.000 2.253 56 G HA2 -0.278 3.682 3.960 0.001 0.000 0.251 56 G HA3 -0.278 3.682 3.960 0.001 0.000 0.251 56 G C 0.323 174.844 174.900 -0.631 0.000 0.998 56 G CA 0.503 45.268 45.100 -0.558 0.000 0.621 56 G HN 0.505 nan 8.290 nan 0.000 0.524 57 K N -0.770 119.457 120.400 -0.288 0.000 2.426 57 K HA 0.796 5.116 4.320 0.001 0.000 0.251 57 K C 1.121 177.902 176.600 0.302 0.000 0.941 57 K CA -1.183 55.125 56.287 0.036 0.000 0.808 57 K CB 1.434 33.971 32.500 0.063 0.000 1.265 57 K HN -0.134 nan 8.250 nan 0.000 0.432 58 M N 1.149 120.972 119.600 0.372 0.000 2.279 58 M HA 0.000 4.480 4.480 0.001 0.000 0.264 58 M C 0.680 177.074 176.300 0.157 0.000 1.062 58 M CA 1.674 57.160 55.300 0.311 0.000 1.099 58 M CB -0.967 31.671 32.600 0.063 0.000 1.394 58 M HN 0.840 nan 8.290 nan 0.000 0.426 59 M N -1.619 117.976 119.600 -0.008 0.000 2.721 59 M HA 0.543 5.024 4.480 0.001 0.000 0.271 59 M C -2.834 173.346 176.300 -0.200 0.000 1.259 59 M CA -1.896 53.171 55.300 -0.388 0.000 0.835 59 M CB 1.730 33.925 32.600 -0.675 0.000 1.689 59 M HN -0.343 nan 8.290 nan 0.000 0.470 60 P HA 0.183 nan 4.420 nan 0.000 0.274 60 P C -0.687 176.597 177.300 -0.028 0.000 1.231 60 P CA 0.046 63.066 63.100 -0.134 0.000 0.790 60 P CB 0.587 32.157 31.700 -0.217 0.000 0.951 61 D N -0.045 120.376 120.400 0.036 0.000 2.263 61 D HA -0.148 4.492 4.640 0.001 0.000 0.208 61 D C 1.004 177.303 176.300 -0.002 0.000 0.971 61 D CA 1.424 55.468 54.000 0.073 0.000 0.867 61 D CB -0.396 40.428 40.800 0.039 0.000 0.929 61 D HN 0.562 nan 8.370 nan 0.000 0.492 62 D N -0.051 120.314 120.400 -0.060 0.000 2.491 62 D HA -0.042 4.598 4.640 0.001 0.000 0.228 62 D C 1.507 177.687 176.300 -0.200 0.000 1.183 62 D CA -0.460 53.456 54.000 -0.140 0.000 0.827 62 D CB -0.690 40.080 40.800 -0.050 0.000 0.989 62 D HN 0.436 nan 8.370 nan 0.000 0.494 63 W N 0.980 122.109 121.300 -0.286 0.000 2.342 63 W HA -0.050 4.610 4.660 0.001 0.000 0.297 63 W C 1.346 177.786 176.519 -0.131 0.000 1.213 63 W CA 1.075 58.157 57.345 -0.438 0.000 1.251 63 W CB -0.945 28.108 29.460 -0.680 0.000 1.136 63 W HN 0.080 nan 8.180 nan 0.000 0.526 64 A N 2.236 124.477 122.820 -0.965 0.000 1.855 64 A HA -0.191 4.129 4.320 0.001 0.000 0.213 64 A C 2.114 179.592 177.584 -0.176 0.000 1.195 64 A CA 1.762 53.300 52.037 -0.832 0.000 0.610 64 A CB -0.923 17.234 19.000 -1.405 0.000 0.837 64 A HN 0.285 nan 8.150 nan 0.000 0.444 65 E N 0.475 120.554 120.200 -0.201 0.000 2.130 65 E HA -0.323 4.027 4.350 0.001 0.000 0.196 65 E C 1.929 178.562 176.600 0.057 0.000 0.998 65 E CA 1.644 58.017 56.400 -0.045 0.000 0.806 65 E CB -0.718 28.949 29.700 -0.056 0.000 0.738 65 E HN 0.796 nan 8.360 nan 0.000 0.459 66 Q N 0.867 120.710 119.800 0.072 0.000 1.942 66 Q HA -0.104 4.236 4.340 0.001 0.000 0.203 66 Q C 2.501 178.673 176.000 0.286 0.000 0.987 66 Q CA 1.573 57.500 55.803 0.206 0.000 0.844 66 Q CB -0.171 28.699 28.738 0.221 0.000 0.911 66 Q HN 0.299 nan 8.270 nan 0.000 0.423 67 L N 0.511 121.877 121.223 0.237 0.000 2.083 67 L HA -0.190 4.150 4.340 0.001 0.000 0.209 67 L C 2.403 179.465 176.870 0.320 0.000 1.083 67 L CA 1.239 56.235 54.840 0.261 0.000 0.752 67 L CB -0.346 41.942 42.059 0.381 0.000 0.899 67 L HN 0.185 nan 8.230 nan 0.000 0.433 68 K N -0.398 120.143 120.400 0.235 0.000 2.286 68 K HA -0.215 4.105 4.320 0.001 0.000 0.203 68 K C 1.650 178.299 176.600 0.081 0.000 1.045 68 K CA 0.883 57.212 56.287 0.071 0.000 0.935 68 K CB -0.068 32.461 32.500 0.048 0.000 0.737 68 K HN 0.256 nan 8.250 nan 0.000 0.460 69 Q N -0.331 119.586 119.800 0.196 0.000 2.228 69 Q HA 0.083 4.423 4.340 0.001 0.000 0.211 69 Q C -0.879 175.151 176.000 0.049 0.000 0.890 69 Q CA 0.264 56.138 55.803 0.119 0.000 0.953 69 Q CB 0.237 29.048 28.738 0.120 0.000 1.053 69 Q HN 0.247 nan 8.270 nan 0.000 0.471 70 Y N -1.890 118.430 120.300 0.033 0.000 2.605 70 Y HA 0.172 4.722 4.550 0.001 0.000 0.343 70 Y C 0.719 176.602 175.900 -0.028 0.000 1.036 70 Y CA -0.960 57.163 58.100 0.039 0.000 1.065 70 Y CB 1.591 40.111 38.460 0.100 0.000 1.288 70 Y HN -0.109 nan 8.280 nan 0.000 0.481 71 D N 0.556 121.014 120.400 0.096 0.000 2.201 71 D HA 0.277 4.917 4.640 0.001 0.000 0.209 71 D C -0.154 176.149 176.300 0.004 0.000 0.961 71 D CA 1.031 54.986 54.000 -0.076 0.000 0.861 71 D CB 0.419 41.022 40.800 -0.327 0.000 0.997 71 D HN 0.500 nan 8.370 nan 0.000 0.486 72 A N -0.448 122.433 122.820 0.102 0.000 2.594 72 A HA 0.682 5.003 4.320 0.001 0.000 0.291 72 A C -1.405 176.321 177.584 0.236 0.000 1.105 72 A CA -0.596 51.556 52.037 0.193 0.000 0.694 72 A CB 1.160 20.262 19.000 0.171 0.000 1.291 72 A HN 0.011 nan 8.150 nan 0.000 0.410 73 I N 1.078 121.824 120.570 0.293 0.000 2.378 73 I HA 0.291 4.461 4.170 0.001 0.000 0.291 73 I C -1.354 175.046 176.117 0.472 0.000 0.992 73 I CA -0.511 60.949 61.300 0.267 0.000 1.154 73 I CB 1.580 39.619 38.000 0.065 0.000 1.315 73 I HN 0.632 nan 8.210 nan 0.000 0.448 74 Y N 7.397 127.877 120.300 0.300 0.000 2.491 74 Y HA 0.388 4.938 4.550 0.001 0.000 0.334 74 Y C -0.995 175.076 175.900 0.285 0.000 0.969 74 Y CA -1.433 56.859 58.100 0.320 0.000 1.241 74 Y CB 0.707 39.363 38.460 0.327 0.000 1.105 74 Y HN 0.359 nan 8.280 nan 0.000 0.503 75 F N 3.668 123.740 119.950 0.203 0.000 2.458 75 F HA 0.650 5.177 4.527 0.001 0.000 0.330 75 F C 0.796 176.569 175.800 -0.046 0.000 1.082 75 F CA -0.159 57.883 58.000 0.070 0.000 0.995 75 F CB 1.618 40.682 39.000 0.107 0.000 1.170 75 F HN 0.509 nan 8.300 nan 0.000 0.478 76 G N 2.431 110.645 108.800 -0.976 0.000 2.558 76 G HA2 0.520 4.481 3.960 0.001 0.000 0.218 76 G HA3 0.520 4.481 3.960 0.001 0.000 0.218 76 G C -0.702 173.828 174.900 -0.616 0.000 1.567 76 G CA 0.424 45.120 45.100 -0.673 0.000 0.950 76 G HN 1.094 nan 8.290 nan 0.000 0.517 77 A N -2.448 119.943 122.820 -0.714 0.000 2.586 77 A HA 0.617 4.937 4.320 0.001 0.000 0.291 77 A C -1.925 175.609 177.584 -0.082 0.000 1.062 77 A CA -0.207 51.735 52.037 -0.159 0.000 0.666 77 A CB 1.358 20.341 19.000 -0.028 0.000 1.281 77 A HN 1.359 nan 8.150 nan 0.000 0.421 78 V N 0.045 120.061 119.914 0.169 0.000 2.760 78 V HA 0.897 5.017 4.120 0.001 0.000 0.309 78 V C -0.075 176.067 176.094 0.081 0.000 1.077 78 V CA 0.982 63.362 62.300 0.134 0.000 0.910 78 V CB 1.762 33.726 31.823 0.235 0.000 1.008 78 V HN 2.651 nan 8.190 nan 0.000 0.424 79 G N 5.261 114.109 108.800 0.081 0.000 2.326 79 G HA2 0.230 4.191 3.960 0.001 0.000 0.299 79 G HA3 0.230 4.191 3.960 0.001 0.000 0.299 79 G C -1.621 173.406 174.900 0.211 0.000 1.643 79 G CA -0.345 44.805 45.100 0.084 0.000 0.916 79 G HN 1.181 nan 8.290 nan 0.000 0.700 80 W N 5.919 127.165 121.300 -0.090 0.000 2.113 80 W HA 0.311 4.971 4.660 0.001 0.000 0.290 80 W C -2.314 174.164 176.519 -0.068 0.000 1.033 80 W CA -1.651 55.645 57.345 -0.081 0.000 1.156 80 W CB 1.995 31.401 29.460 -0.090 0.000 1.109 80 W HN 0.510 nan 8.180 nan 0.000 0.290 81 P HA -0.179 nan 4.420 nan 0.000 0.220 81 P C 1.245 178.474 177.300 -0.118 0.000 1.148 81 P CA 1.349 64.367 63.100 -0.138 0.000 0.803 81 P CB 0.313 31.915 31.700 -0.164 0.000 0.782 82 D N -0.010 120.254 120.400 -0.227 0.000 2.149 82 D HA -0.180 4.460 4.640 0.001 0.000 0.194 82 D C 1.470 177.827 176.300 0.095 0.000 1.001 82 D CA 1.295 55.245 54.000 -0.083 0.000 0.849 82 D CB 0.329 41.050 40.800 -0.131 0.000 0.939 82 D HN 0.106 nan 8.370 nan 0.000 0.449 83 K N -0.919 119.610 120.400 0.215 0.000 2.474 83 K HA 0.185 4.505 4.320 0.001 0.000 0.202 83 K C -0.117 176.544 176.600 0.102 0.000 1.248 83 K CA 0.103 56.508 56.287 0.196 0.000 0.946 83 K CB 2.099 34.760 32.500 0.267 0.000 1.102 83 K HN -0.041 nan 8.250 nan 0.000 0.541 84 V N 3.706 123.650 119.914 0.049 0.000 2.525 84 V HA 0.284 4.404 4.120 0.001 0.000 0.299 84 V C -2.662 173.345 176.094 -0.146 0.000 1.034 84 V CA -2.222 60.007 62.300 -0.117 0.000 0.863 84 V CB 2.090 33.761 31.823 -0.253 0.000 0.999 84 V HN -0.068 nan 8.190 nan 0.000 0.423 85 P HA 0.057 nan 4.420 nan 0.000 0.264 85 P C 0.256 177.404 177.300 -0.254 0.000 1.183 85 P CA 0.256 63.234 63.100 -0.203 0.000 0.763 85 P CB 0.662 32.180 31.700 -0.303 0.000 0.807 86 D N 1.419 121.764 120.400 -0.092 0.000 2.123 86 D HA -0.192 4.448 4.640 0.001 0.000 0.196 86 D C 1.795 178.088 176.300 -0.011 0.000 0.992 86 D CA 1.468 55.443 54.000 -0.041 0.000 0.833 86 D CB -0.414 40.392 40.800 0.009 0.000 0.954 86 D HN 0.605 nan 8.370 nan 0.000 0.455 87 H N 0.532 119.600 119.070 -0.004 0.000 2.293 87 H HA -0.093 4.463 4.556 0.001 0.000 0.300 87 H C 2.114 177.501 175.328 0.098 0.000 1.082 87 H CA 0.742 56.843 56.048 0.088 0.000 1.308 87 H CB -0.835 28.894 29.762 -0.055 0.000 1.375 87 H HN 0.071 nan 8.280 nan 0.000 0.495 88 I N 2.197 122.413 120.570 -0.590 0.000 2.143 88 I HA -0.302 3.868 4.170 0.001 0.000 0.245 88 I C 2.835 178.830 176.117 -0.204 0.000 1.068 88 I CA 1.877 62.958 61.300 -0.366 0.000 1.326 88 I CB -1.423 36.271 38.000 -0.511 0.000 1.028 88 I HN 0.456 nan 8.210 nan 0.000 0.412 89 S N 0.478 116.044 115.700 -0.224 0.000 2.377 89 S HA -0.083 4.388 4.470 0.001 0.000 0.223 89 S C 2.042 176.574 174.600 -0.114 0.000 1.030 89 S CA 0.465 58.560 58.200 -0.176 0.000 0.970 89 S CB -0.946 62.162 63.200 -0.154 0.000 0.830 89 S HN 0.330 nan 8.310 nan 0.000 0.473 90 L N 0.267 121.449 121.223 -0.069 0.000 2.027 90 L HA 0.164 4.504 4.340 0.001 0.000 0.206 90 L C 2.244 178.973 176.870 -0.235 0.000 1.074 90 L CA 1.515 56.273 54.840 -0.137 0.000 0.745 90 L CB -0.650 41.343 42.059 -0.110 0.000 0.898 90 L HN 0.347 nan 8.230 nan 0.000 0.433 91 W N -0.580 120.619 121.300 -0.170 0.000 2.392 91 W HA -0.045 4.615 4.660 0.001 0.000 0.279 91 W C 2.327 178.710 176.519 -0.227 0.000 1.225 91 W CA 1.233 58.477 57.345 -0.168 0.000 1.233 91 W CB -0.694 28.703 29.460 -0.106 0.000 1.122 91 W HN 0.248 nan 8.180 nan 0.000 0.561 92 G N -1.448 107.324 108.800 -0.047 0.000 2.880 92 G HA2 0.054 4.014 3.960 0.001 0.000 0.209 92 G HA3 0.054 4.014 3.960 0.001 0.000 0.209 92 G C 1.110 175.785 174.900 -0.375 0.000 1.157 92 G CA 1.075 46.092 45.100 -0.138 0.000 0.779 92 G HN 0.277 nan 8.290 nan 0.000 0.539 93 S N -0.717 114.679 115.700 -0.506 0.000 4.002 93 S HA 0.188 4.658 4.470 0.001 0.000 0.167 93 S C 1.701 175.593 174.600 -1.180 0.000 0.914 93 S CA 0.495 58.191 58.200 -0.841 0.000 1.110 93 S CB -0.368 62.522 63.200 -0.516 0.000 1.714 93 S HN 0.120 nan 8.310 nan 0.000 0.858 94 L N 2.175 122.864 121.223 -0.890 0.000 2.042 94 L HA 0.213 4.553 4.340 0.001 0.000 0.210 94 L C 2.335 178.820 176.870 -0.642 0.000 1.076 94 L CA 1.699 56.020 54.840 -0.865 0.000 0.749 94 L CB -1.097 40.557 42.059 -0.675 0.000 0.893 94 L HN 0.617 nan 8.230 nan 0.000 0.432 95 L N -0.736 120.139 121.223 -0.579 0.000 2.079 95 L HA -0.266 4.075 4.340 0.001 0.000 0.210 95 L C 2.659 179.244 176.870 -0.475 0.000 1.081 95 L CA 1.590 56.090 54.840 -0.566 0.000 0.752 95 L CB -0.379 41.176 42.059 -0.841 0.000 0.896 95 L HN 0.354 nan 8.230 nan 0.000 0.433 96 K N -0.884 119.209 120.400 -0.512 0.000 2.097 96 K HA -0.159 4.162 4.320 0.001 0.000 0.205 96 K C 2.037 178.413 176.600 -0.375 0.000 1.050 96 K CA 1.041 57.074 56.287 -0.424 0.000 0.938 96 K CB 0.007 32.164 32.500 -0.572 0.000 0.718 96 K HN 0.021 nan 8.250 nan 0.000 0.442 97 F N 1.627 121.186 119.950 -0.651 0.000 2.000 97 F HA -0.215 4.313 4.527 0.001 0.000 0.296 97 F C 2.261 177.816 175.800 -0.409 0.000 1.159 97 F CA 1.477 59.094 58.000 -0.638 0.000 1.183 97 F CB -1.124 37.528 39.000 -0.580 0.000 0.959 97 F HN -0.003 nan 8.300 nan 0.000 0.490 98 R N -0.190 120.232 120.500 -0.130 0.000 2.154 98 R HA -0.210 4.131 4.340 0.001 0.000 0.248 98 R C 2.233 178.457 176.300 -0.126 0.000 1.155 98 R CA 1.708 57.719 56.100 -0.150 0.000 0.979 98 R CB -0.506 29.662 30.300 -0.220 0.000 0.869 98 R HN 0.282 nan 8.270 nan 0.000 0.452 99 R N 1.226 121.636 120.500 -0.149 0.000 2.046 99 R HA -0.028 4.312 4.340 0.001 0.000 0.223 99 R C 1.613 177.869 176.300 -0.074 0.000 1.179 99 R CA 1.039 57.071 56.100 -0.113 0.000 0.952 99 R CB 0.147 30.369 30.300 -0.130 0.000 0.843 99 R HN 0.168 nan 8.270 nan 0.000 0.439 100 E N -0.463 119.712 120.200 -0.042 0.000 2.505 100 E HA -0.116 4.234 4.350 0.001 0.000 0.197 100 E C 0.389 176.917 176.600 -0.120 0.000 1.111 100 E CA 0.486 56.874 56.400 -0.021 0.000 0.887 100 E CB 0.197 29.991 29.700 0.157 0.000 0.913 100 E HN 0.465 nan 8.360 nan 0.000 0.517 101 F N 0.139 119.808 119.950 -0.469 0.000 2.781 101 F HA 0.068 4.595 4.527 0.001 0.000 0.322 101 F C 0.386 175.852 175.800 -0.557 0.000 1.108 101 F CA -0.629 56.888 58.000 -0.805 0.000 1.179 101 F CB 0.954 39.789 39.000 -0.275 0.000 1.072 101 F HN -0.124 nan 8.300 nan 0.000 0.545 102 D N 2.473 122.773 120.400 -0.167 0.000 2.708 102 D HA -0.207 4.433 4.640 0.001 0.000 0.236 102 D C -0.161 176.191 176.300 0.085 0.000 1.146 102 D CA 0.757 54.780 54.000 0.038 0.000 0.662 102 D CB -0.716 40.187 40.800 0.171 0.000 1.059 102 D HN 0.449 nan 8.370 nan 0.000 0.428 103 Q N 0.294 120.074 119.800 -0.033 0.000 3.027 103 Q HA 0.106 4.447 4.340 0.001 0.000 0.260 103 Q C 1.100 176.957 176.000 -0.238 0.000 1.379 103 Q CA -0.390 55.301 55.803 -0.187 0.000 1.038 103 Q CB -0.221 28.401 28.738 -0.193 0.000 1.578 103 Q HN 0.560 nan 8.270 nan 0.000 0.571 104 Y N -1.601 118.587 120.300 -0.187 0.000 2.519 104 Y HA 0.181 4.731 4.550 0.001 0.000 0.287 104 Y C 0.362 176.104 175.900 -0.263 0.000 1.128 104 Y CA -0.431 57.549 58.100 -0.199 0.000 1.282 104 Y CB 0.196 38.570 38.460 -0.143 0.000 1.027 104 Y HN 0.005 nan 8.280 nan 0.000 0.551 105 V N 2.853 122.392 119.914 -0.626 0.000 2.439 105 V HA 0.160 4.280 4.120 0.001 0.000 0.282 105 V C -0.366 175.469 176.094 -0.432 0.000 1.039 105 V CA -0.858 61.102 62.300 -0.567 0.000 0.913 105 V CB 1.211 32.432 31.823 -1.002 0.000 0.983 105 V HN 0.455 nan 8.190 nan 0.000 0.460 106 N N 5.016 123.534 118.700 -0.303 0.000 2.531 106 N HA 0.476 5.217 4.740 0.001 0.000 0.268 106 N C -0.954 174.441 175.510 -0.190 0.000 1.023 106 N CA -0.508 52.386 53.050 -0.260 0.000 0.896 106 N CB 1.113 39.460 38.487 -0.233 0.000 1.233 106 N HN 0.745 nan 8.380 nan 0.000 0.512 107 I N 0.410 120.871 120.570 -0.182 0.000 2.437 107 I HA 0.539 4.709 4.170 0.001 0.000 0.298 107 I C -0.322 175.728 176.117 -0.112 0.000 0.984 107 I CA -0.844 60.391 61.300 -0.109 0.000 1.214 107 I CB 1.737 39.698 38.000 -0.065 0.000 1.365 107 I HN 0.294 nan 8.210 nan 0.000 0.469 108 R N 4.544 124.989 120.500 -0.092 0.000 2.607 108 R HA 0.384 4.724 4.340 0.001 0.000 0.278 108 R C -2.765 173.434 176.300 -0.168 0.000 1.637 108 R CA -1.614 54.402 56.100 -0.139 0.000 1.325 108 R CB 1.697 31.936 30.300 -0.102 0.000 1.211 108 R HN 0.415 nan 8.270 nan 0.000 0.565 109 P HA 0.022 nan 4.420 nan 0.000 0.267 109 P C -0.556 176.503 177.300 -0.402 0.000 1.205 109 P CA -0.066 62.880 63.100 -0.256 0.000 0.765 109 P CB 0.909 32.485 31.700 -0.207 0.000 0.828 110 V N 5.745 125.376 119.914 -0.472 0.000 2.448 110 V HA 0.581 4.701 4.120 0.001 0.000 0.295 110 V C 0.297 176.111 176.094 -0.467 0.000 1.025 110 V CA -0.363 61.607 62.300 -0.550 0.000 0.859 110 V CB 1.407 32.735 31.823 -0.824 0.000 0.988 110 V HN 0.512 nan 8.190 nan 0.000 0.431 111 R N 2.809 123.137 120.500 -0.287 0.000 2.663 111 R HA 0.538 4.878 4.340 0.001 0.000 0.267 111 R C -1.962 174.274 176.300 -0.106 0.000 1.038 111 R CA -0.944 55.056 56.100 -0.167 0.000 0.886 111 R CB 2.166 32.375 30.300 -0.152 0.000 1.249 111 R HN 0.572 nan 8.270 nan 0.000 0.463 112 L N 3.208 124.430 121.223 -0.001 0.000 2.260 112 L HA 0.472 4.812 4.340 0.001 0.000 0.289 112 L C -1.394 175.604 176.870 0.213 0.000 1.057 112 L CA 0.068 54.955 54.840 0.078 0.000 0.811 112 L CB 0.382 42.497 42.059 0.093 0.000 1.184 112 L HN 0.345 nan 8.230 nan 0.000 0.429 113 F N 6.866 126.873 119.950 0.094 0.000 2.420 113 F HA 0.439 4.966 4.527 0.001 0.000 0.352 113 F C -1.605 174.215 175.800 0.033 0.000 1.108 113 F CA -2.658 55.373 58.000 0.052 0.000 1.162 113 F CB 0.176 39.187 39.000 0.017 0.000 1.118 113 F HN 0.469 nan 8.300 nan 0.000 0.510 114 P HA -0.085 nan 4.420 nan 0.000 0.246 114 P C 0.778 178.125 177.300 0.077 0.000 1.092 114 P CA 1.671 64.823 63.100 0.086 0.000 0.795 114 P CB -0.258 31.444 31.700 0.002 0.000 0.700 115 G N 1.386 110.233 108.800 0.078 0.000 2.157 115 G HA2 -0.249 3.711 3.960 0.001 0.000 0.248 115 G HA3 -0.249 3.711 3.960 0.001 0.000 0.248 115 G C 0.203 175.147 174.900 0.074 0.000 0.979 115 G CA -0.163 44.974 45.100 0.063 0.000 0.650 115 G HN 0.558 nan 8.290 nan 0.000 0.529 116 V N 2.298 122.275 119.914 0.104 0.000 2.673 116 V HA 0.285 4.405 4.120 0.001 0.000 0.303 116 V C -0.750 175.391 176.094 0.079 0.000 1.046 116 V CA -0.597 61.765 62.300 0.103 0.000 1.126 116 V CB 0.760 32.662 31.823 0.132 0.000 0.934 116 V HN 0.234 nan 8.190 nan 0.000 0.487 117 P HA 0.053 nan 4.420 nan 0.000 0.267 117 P C -0.741 176.594 177.300 0.059 0.000 1.201 117 P CA -0.117 63.017 63.100 0.056 0.000 0.775 117 P CB 0.248 31.978 31.700 0.050 0.000 0.854 118 C N 2.390 121.722 119.300 0.053 0.000 2.335 118 C HA 0.488 4.949 4.460 0.001 0.000 0.318 118 C C 1.254 176.275 174.990 0.052 0.000 1.150 118 C CA -0.266 58.786 59.018 0.056 0.000 1.466 118 C CB -0.121 27.651 27.740 0.053 0.000 2.024 118 C HN 0.643 nan 8.230 nan 0.000 0.429 119 A N 4.204 127.059 122.820 0.057 0.000 2.281 119 A HA 0.456 4.777 4.320 0.001 0.000 0.231 119 A C 0.237 177.858 177.584 0.062 0.000 1.317 119 A CA 0.476 52.546 52.037 0.056 0.000 0.959 119 A CB -0.415 18.619 19.000 0.057 0.000 0.900 119 A HN 0.845 nan 8.150 nan 0.000 0.497 120 L N -2.087 119.172 121.223 0.061 0.000 2.393 120 L HA 0.740 5.081 4.340 0.001 0.000 0.260 120 L C 0.162 177.060 176.870 0.047 0.000 1.002 120 L CA -1.100 53.776 54.840 0.059 0.000 0.818 120 L CB 1.852 43.953 42.059 0.071 0.000 1.369 120 L HN 0.023 nan 8.230 nan 0.000 0.412 121 A N 1.198 124.041 122.820 0.040 0.000 2.409 121 A HA 0.314 4.634 4.320 0.001 0.000 0.262 121 A C 0.814 178.416 177.584 0.030 0.000 1.113 121 A CA 0.280 52.336 52.037 0.032 0.000 0.790 121 A CB -0.420 18.595 19.000 0.026 0.000 1.046 121 A HN 1.114 nan 8.150 nan 0.000 0.496 122 N N 0.389 119.105 118.700 0.028 0.000 2.675 122 N HA -0.275 4.465 4.740 0.001 0.000 0.252 122 N C -0.137 175.388 175.510 0.025 0.000 1.008 122 N CA 1.569 54.635 53.050 0.025 0.000 0.779 122 N CB -1.082 37.417 38.487 0.020 0.000 0.954 122 N HN 0.770 nan 8.380 nan 0.000 0.541 123 R N 1.197 121.715 120.500 0.030 0.000 2.543 123 R HA 0.121 4.461 4.340 0.001 0.000 0.277 123 R C 0.073 176.393 176.300 0.033 0.000 1.074 123 R CA -0.598 55.519 56.100 0.029 0.000 1.076 123 R CB 0.641 30.963 30.300 0.036 0.000 0.993 123 R HN 0.477 nan 8.270 nan 0.000 0.459 124 K N 2.002 122.420 120.400 0.029 0.000 2.530 124 K HA 0.005 4.326 4.320 0.001 0.000 0.280 124 K C -0.611 176.016 176.600 0.045 0.000 1.004 124 K CA -0.278 56.029 56.287 0.033 0.000 1.071 124 K CB 0.182 32.698 32.500 0.026 0.000 0.876 124 K HN 0.154 nan 8.250 nan 0.000 0.487 125 V N 3.266 123.210 119.914 0.050 0.000 2.470 125 V HA 0.264 4.384 4.120 0.001 0.000 0.276 125 V C 1.459 177.600 176.094 0.078 0.000 1.040 125 V CA 1.253 63.592 62.300 0.066 0.000 1.008 125 V CB 0.220 32.082 31.823 0.064 0.000 0.990 125 V HN 1.124 nan 8.190 nan 0.000 0.477 126 G N 4.776 113.634 108.800 0.097 0.000 2.213 126 G HA2 -0.257 3.703 3.960 0.001 0.000 0.236 126 G HA3 -0.257 3.703 3.960 0.001 0.000 0.236 126 G C 0.594 175.551 174.900 0.095 0.000 0.991 126 G CA 0.336 45.504 45.100 0.113 0.000 0.629 126 G HN 0.797 nan 8.290 nan 0.000 0.517 127 D N 0.338 120.784 120.400 0.075 0.000 2.348 127 D HA 0.286 4.926 4.640 0.001 0.000 0.248 127 D C 0.465 176.809 176.300 0.073 0.000 1.142 127 D CA 0.339 54.376 54.000 0.062 0.000 0.904 127 D CB -0.188 40.637 40.800 0.042 0.000 0.901 127 D HN 0.422 nan 8.370 nan 0.000 0.523 128 I N 0.420 121.045 120.570 0.093 0.000 2.478 128 I HA 0.362 4.532 4.170 0.001 0.000 0.287 128 I C -1.127 175.054 176.117 0.108 0.000 1.042 128 I CA -0.694 60.675 61.300 0.116 0.000 1.067 128 I CB 2.221 40.277 38.000 0.093 0.000 1.233 128 I HN -0.223 nan 8.210 nan 0.000 0.431 129 D N 6.861 127.364 120.400 0.172 0.000 2.614 129 D HA 0.543 5.184 4.640 0.001 0.000 0.203 129 D C -1.404 175.064 176.300 0.279 0.000 1.312 129 D CA -0.240 53.833 54.000 0.122 0.000 0.889 129 D CB 0.873 41.754 40.800 0.135 0.000 1.615 129 D HN 0.284 nan 8.370 nan 0.000 0.567 130 F N 1.406 121.382 119.950 0.044 0.000 2.807 130 F HA 0.713 5.240 4.527 0.001 0.000 0.316 130 F C -1.996 173.821 175.800 0.028 0.000 1.162 130 F CA -1.224 56.805 58.000 0.048 0.000 0.910 130 F CB 0.783 39.823 39.000 0.067 0.000 1.314 130 F HN 0.165 nan 8.300 nan 0.000 0.454 131 V N 1.638 121.694 119.914 0.236 0.000 2.815 131 V HA 0.879 5.000 4.120 0.001 0.000 0.314 131 V C -1.601 174.620 176.094 0.212 0.000 1.064 131 V CA -0.802 61.566 62.300 0.114 0.000 0.952 131 V CB 2.045 33.920 31.823 0.086 0.000 1.020 131 V HN 0.834 nan 8.190 nan 0.000 0.439 132 V N 6.067 126.056 119.914 0.126 0.000 2.409 132 V HA 0.456 4.576 4.120 0.001 0.000 0.291 132 V C -0.422 175.705 176.094 0.054 0.000 1.020 132 V CA -0.530 61.855 62.300 0.141 0.000 0.848 132 V CB 1.844 33.773 31.823 0.177 0.000 0.990 132 V HN 0.720 nan 8.190 nan 0.000 0.430 133 V N 5.609 125.555 119.914 0.054 0.000 2.318 133 V HA 0.499 4.620 4.120 0.001 0.000 0.271 133 V C 0.218 176.318 176.094 0.010 0.000 1.030 133 V CA -0.568 61.744 62.300 0.020 0.000 0.844 133 V CB 0.873 32.722 31.823 0.044 0.000 1.015 133 V HN 0.848 nan 8.190 nan 0.000 0.460 134 R N 3.387 123.855 120.500 -0.052 0.000 2.387 134 R HA 0.344 4.684 4.340 0.001 0.000 0.314 134 R C -0.207 176.030 176.300 -0.105 0.000 0.958 134 R CA -0.614 55.442 56.100 -0.074 0.000 0.846 134 R CB 1.319 31.547 30.300 -0.121 0.000 1.147 134 R HN 0.681 nan 8.270 nan 0.000 0.447 135 E N 2.915 123.073 120.200 -0.071 0.000 2.376 135 E HA -0.055 4.295 4.350 0.001 0.000 0.266 135 E C -0.603 175.881 176.600 -0.194 0.000 1.009 135 E CA 0.357 56.709 56.400 -0.081 0.000 0.902 135 E CB 0.814 30.488 29.700 -0.043 0.000 0.972 135 E HN 0.578 nan 8.360 nan 0.000 0.439 136 N N 1.920 120.520 118.700 -0.167 0.000 2.241 136 N HA 0.046 4.786 4.740 0.001 0.000 0.238 136 N C 0.185 175.581 175.510 -0.189 0.000 1.244 136 N CA 0.457 53.373 53.050 -0.224 0.000 0.880 136 N CB 0.669 39.025 38.487 -0.219 0.000 1.179 136 N HN 0.482 nan 8.380 nan 0.000 0.513 137 T N -3.624 110.840 114.554 -0.149 0.000 2.989 137 T HA 0.223 4.574 4.350 0.001 0.000 0.250 137 T C 0.778 175.406 174.700 -0.120 0.000 0.981 137 T CA -0.007 62.025 62.100 -0.114 0.000 0.980 137 T CB 0.838 69.674 68.868 -0.053 0.000 1.133 137 T HN 0.293 nan 8.240 nan 0.000 0.489 138 E N 0.464 120.567 120.200 -0.162 0.000 2.780 138 E HA 0.651 5.001 4.350 0.001 0.000 0.152 138 E C 0.827 177.267 176.600 -0.267 0.000 0.820 138 E CA -0.782 55.520 56.400 -0.164 0.000 0.902 138 E CB -0.184 29.413 29.700 -0.171 0.000 2.035 138 E HN 0.336 nan 8.360 nan 0.000 0.384 139 G N 0.696 109.230 108.800 -0.443 0.000 2.498 139 G HA2 -0.334 3.626 3.960 0.001 0.000 0.251 139 G HA3 -0.334 3.626 3.960 0.001 0.000 0.251 139 G C 0.174 174.973 174.900 -0.168 0.000 1.170 139 G CA 0.415 45.108 45.100 -0.679 0.000 0.944 139 G HN 0.528 nan 8.290 nan 0.000 0.567 140 E N 0.110 120.272 120.200 -0.062 0.000 2.476 140 E HA 0.280 4.631 4.350 0.001 0.000 0.191 140 E C -0.189 176.574 176.600 0.271 0.000 1.064 140 E CA 0.131 56.597 56.400 0.110 0.000 0.866 140 E CB 0.173 29.910 29.700 0.062 0.000 0.952 140 E HN 0.341 nan 8.360 nan 0.000 0.492 141 Y N 0.611 120.897 120.300 -0.023 0.000 2.595 141 Y HA 0.450 5.001 4.550 0.001 0.000 0.336 141 Y C 0.063 176.109 175.900 0.242 0.000 0.996 141 Y CA -1.165 56.983 58.100 0.081 0.000 1.260 141 Y CB 0.885 39.310 38.460 -0.058 0.000 1.108 141 Y HN -0.182 nan 8.280 nan 0.000 0.509 142 S N 0.835 116.758 115.700 0.372 0.000 2.632 142 S HA 0.510 4.980 4.470 0.001 0.000 0.289 142 S C 0.311 174.872 174.600 -0.066 0.000 1.115 142 S CA -0.452 57.905 58.200 0.262 0.000 0.889 142 S CB 1.802 65.063 63.200 0.102 0.000 1.116 142 S HN 0.384 nan 8.310 nan 0.000 0.486 143 S N 1.654 117.218 115.700 -0.225 0.000 2.629 143 S HA 0.443 4.914 4.470 0.001 0.000 0.236 143 S C -0.357 174.104 174.600 -0.231 0.000 1.010 143 S CA -0.476 57.442 58.200 -0.470 0.000 0.981 143 S CB -0.262 62.570 63.200 -0.613 0.000 0.919 143 S HN 0.562 nan 8.310 nan 0.000 0.514 144 L N 1.985 123.135 121.223 -0.123 0.000 2.312 144 L HA 0.699 5.040 4.340 0.001 0.000 0.281 144 L C 1.002 177.821 176.870 -0.085 0.000 1.070 144 L CA 0.057 54.848 54.840 -0.081 0.000 0.805 144 L CB 0.756 42.795 42.059 -0.033 0.000 1.174 144 L HN 0.435 nan 8.230 nan 0.000 0.434 145 G N 1.830 110.580 108.800 -0.084 0.000 2.342 145 G HA2 0.353 4.313 3.960 0.001 0.000 0.220 145 G HA3 0.353 4.313 3.960 0.001 0.000 0.220 145 G C -0.475 174.364 174.900 -0.101 0.000 1.243 145 G CA -0.168 44.880 45.100 -0.086 0.000 1.083 145 G HN 1.201 nan 8.290 nan 0.000 0.500 146 G N -1.588 107.150 108.800 -0.104 0.000 2.341 146 G HA2 0.554 4.514 3.960 0.001 0.000 0.293 146 G HA3 0.554 4.514 3.960 0.001 0.000 0.293 146 G C -1.527 173.311 174.900 -0.103 0.000 1.298 146 G CA 0.096 45.131 45.100 -0.109 0.000 0.868 146 G HN 1.674 nan 8.290 nan 0.000 0.540 147 I N 0.381 120.891 120.570 -0.101 0.000 2.359 147 I HA 0.780 4.951 4.170 0.001 0.000 0.294 147 I C -0.100 175.943 176.117 -0.123 0.000 0.987 147 I CA -0.999 60.246 61.300 -0.092 0.000 1.225 147 I CB 1.426 39.385 38.000 -0.069 0.000 1.366 147 I HN 0.743 nan 8.210 nan 0.000 0.466 148 M N 7.304 126.811 119.600 -0.154 0.000 2.535 148 M HA 0.484 4.965 4.480 0.001 0.000 0.314 148 M C -0.888 175.282 176.300 -0.217 0.000 1.153 148 M CA 0.042 55.146 55.300 -0.326 0.000 0.924 148 M CB 1.111 33.407 32.600 -0.507 0.000 1.710 148 M HN 0.488 nan 8.290 nan 0.000 0.451 149 F N 0.698 120.635 119.950 -0.023 0.000 3.074 149 F HA -0.212 4.316 4.527 0.001 0.000 0.287 149 F C 0.411 176.198 175.800 -0.021 0.000 0.932 149 F CA 1.039 59.027 58.000 -0.020 0.000 0.995 149 F CB -2.382 36.606 39.000 -0.019 0.000 0.966 149 F HN 0.803 nan 8.300 nan 0.000 0.721 150 E N 1.239 121.498 120.200 0.099 0.000 2.442 150 E HA 0.000 4.351 4.350 0.001 0.000 0.262 150 E C 1.165 177.800 176.600 0.057 0.000 1.004 150 E CA 0.624 57.056 56.400 0.053 0.000 0.928 150 E CB 0.213 29.919 29.700 0.010 0.000 0.937 150 E HN 0.409 nan 8.360 nan 0.000 0.446 151 N N 1.217 119.940 118.700 0.038 0.000 2.800 151 N HA -0.175 4.565 4.740 0.001 0.000 0.250 151 N C -0.593 174.932 175.510 0.025 0.000 1.078 151 N CA 1.527 54.591 53.050 0.025 0.000 0.804 151 N CB -1.685 36.812 38.487 0.016 0.000 1.135 151 N HN 0.663 nan 8.380 nan 0.000 0.565 152 T N -3.620 110.958 114.554 0.040 0.000 2.932 152 T HA 0.387 4.737 4.350 0.001 0.000 0.289 152 T C 1.073 175.773 174.700 -0.001 0.000 1.039 152 T CA -0.450 61.659 62.100 0.015 0.000 1.024 152 T CB 2.936 71.811 68.868 0.011 0.000 1.090 152 T HN 0.098 nan 8.240 nan 0.000 0.496 153 E N 1.193 121.377 120.200 -0.026 0.000 2.233 153 E HA -0.312 4.038 4.350 0.001 0.000 0.210 153 E C 0.917 177.491 176.600 -0.043 0.000 1.046 153 E CA 1.774 58.152 56.400 -0.037 0.000 0.844 153 E CB -0.166 29.503 29.700 -0.052 0.000 0.741 153 E HN 0.644 nan 8.360 nan 0.000 0.465 154 N N 1.235 119.888 118.700 -0.077 0.000 2.314 154 N HA -0.029 4.711 4.740 0.001 0.000 0.200 154 N C -0.302 175.257 175.510 0.082 0.000 1.135 154 N CA 0.064 53.054 53.050 -0.101 0.000 0.835 154 N CB 0.161 38.404 38.487 -0.406 0.000 0.989 154 N HN 0.294 nan 8.380 nan 0.000 0.478 155 E N 1.163 121.424 120.200 0.102 0.000 2.694 155 E HA -0.035 4.316 4.350 0.001 0.000 0.250 155 E C -0.543 176.135 176.600 0.131 0.000 0.963 155 E CA 0.522 57.007 56.400 0.142 0.000 0.949 155 E CB 0.330 30.069 29.700 0.065 0.000 0.911 155 E HN 0.181 nan 8.360 nan 0.000 0.500 156 I N 3.784 124.440 120.570 0.143 0.000 2.646 156 I HA 0.331 4.501 4.170 0.001 0.000 0.299 156 I C -0.821 175.295 176.117 -0.002 0.000 1.036 156 I CA -1.058 60.283 61.300 0.069 0.000 1.074 156 I CB 2.172 40.227 38.000 0.092 0.000 1.258 156 I HN 0.203 nan 8.210 nan 0.000 0.430 157 V N 6.135 126.039 119.914 -0.018 0.000 2.443 157 V HA 0.428 4.549 4.120 0.001 0.000 0.293 157 V C -0.447 175.618 176.094 -0.049 0.000 1.021 157 V CA -0.514 61.759 62.300 -0.045 0.000 0.848 157 V CB 1.827 33.622 31.823 -0.047 0.000 0.998 157 V HN 0.376 nan 8.190 nan 0.000 0.424 158 I N 4.459 124.991 120.570 -0.063 0.000 2.359 158 I HA 0.528 4.699 4.170 0.001 0.000 0.294 158 I C -0.125 175.953 176.117 -0.065 0.000 0.987 158 I CA -0.475 60.791 61.300 -0.057 0.000 1.225 158 I CB 1.694 39.659 38.000 -0.059 0.000 1.366 158 I HN 0.720 nan 8.210 nan 0.000 0.466 159 Q N 4.364 124.133 119.800 -0.051 0.000 2.290 159 Q HA 0.394 4.734 4.340 0.001 0.000 0.269 159 Q C -1.192 174.795 176.000 -0.022 0.000 1.016 159 Q CA -0.506 55.268 55.803 -0.048 0.000 0.754 159 Q CB 1.583 30.292 28.738 -0.050 0.000 1.247 159 Q HN 0.438 nan 8.270 nan 0.000 0.451 160 E N 1.377 121.567 120.200 -0.016 0.000 2.259 160 E HA 0.350 4.700 4.350 0.001 0.000 0.281 160 E C -0.932 175.696 176.600 0.046 0.000 1.037 160 E CA 0.044 56.450 56.400 0.010 0.000 0.854 160 E CB 1.324 31.027 29.700 0.006 0.000 1.051 160 E HN 0.503 nan 8.360 nan 0.000 0.409 161 S N 2.878 118.624 115.700 0.077 0.000 2.513 161 S HA 0.454 4.924 4.470 0.001 0.000 0.276 161 S C -0.090 174.630 174.600 0.199 0.000 1.254 161 S CA -0.513 57.783 58.200 0.159 0.000 1.053 161 S CB 0.309 63.645 63.200 0.226 0.000 0.958 161 S HN 0.354 nan 8.310 nan 0.000 0.491 162 I N 3.577 124.268 120.570 0.202 0.000 2.410 162 I HA 0.397 4.567 4.170 0.001 0.000 0.286 162 I C -1.120 175.127 176.117 0.217 0.000 1.009 162 I CA -0.288 61.126 61.300 0.189 0.000 1.111 162 I CB 1.050 39.098 38.000 0.079 0.000 1.262 162 I HN 0.511 nan 8.210 nan 0.000 0.443 163 F N 3.946 123.922 119.950 0.044 0.000 2.443 163 F HA 0.549 5.077 4.527 0.001 0.000 0.335 163 F C 0.676 176.536 175.800 0.101 0.000 1.104 163 F CA -0.639 57.438 58.000 0.128 0.000 1.013 163 F CB 2.220 41.379 39.000 0.264 0.000 1.136 163 F HN 0.348 nan 8.300 nan 0.000 0.470 164 T N -0.610 114.086 114.554 0.236 0.000 2.924 164 T HA 0.374 4.724 4.350 0.001 0.000 0.291 164 T C 0.811 175.643 174.700 0.220 0.000 1.045 164 T CA -0.928 61.272 62.100 0.167 0.000 1.015 164 T CB 2.092 70.998 68.868 0.063 0.000 1.103 164 T HN 0.693 nan 8.240 nan 0.000 0.496 165 R N 0.088 120.702 120.500 0.191 0.000 2.096 165 R HA -0.032 4.308 4.340 0.001 0.000 0.235 165 R C 2.505 178.824 176.300 0.031 0.000 1.127 165 R CA 1.302 57.491 56.100 0.148 0.000 0.968 165 R CB -0.085 30.285 30.300 0.117 0.000 0.861 165 R HN 0.669 nan 8.270 nan 0.000 0.440 166 R N -1.135 119.367 120.500 0.004 0.000 2.064 166 R HA -0.049 4.291 4.340 0.001 0.000 0.228 166 R C 2.399 178.628 176.300 -0.118 0.000 1.144 166 R CA 1.442 57.505 56.100 -0.062 0.000 0.932 166 R CB -0.742 29.520 30.300 -0.063 0.000 0.833 166 R HN 0.329 nan 8.270 nan 0.000 0.429 167 G N 0.367 109.104 108.800 -0.105 0.000 2.442 167 G HA2 -0.236 3.725 3.960 0.001 0.000 0.219 167 G HA3 -0.236 3.725 3.960 0.001 0.000 0.219 167 G C 1.462 176.294 174.900 -0.114 0.000 1.141 167 G CA 0.872 45.886 45.100 -0.144 0.000 0.763 167 G HN 0.133 nan 8.290 nan 0.000 0.554 168 V N 0.930 120.810 119.914 -0.058 0.000 2.255 168 V HA -0.115 4.006 4.120 0.001 0.000 0.243 168 V C 2.612 178.581 176.094 -0.208 0.000 1.038 168 V CA 2.192 64.426 62.300 -0.111 0.000 1.008 168 V CB -0.502 31.297 31.823 -0.040 0.000 0.645 168 V HN 0.244 nan 8.190 nan 0.000 0.449 169 D N 0.168 120.468 120.400 -0.167 0.000 2.126 169 D HA -0.240 4.401 4.640 0.001 0.000 0.190 169 D C 2.278 178.505 176.300 -0.122 0.000 1.001 169 D CA 2.078 55.983 54.000 -0.159 0.000 0.841 169 D CB -0.338 40.393 40.800 -0.115 0.000 0.949 169 D HN 0.583 nan 8.370 nan 0.000 0.446 170 R N 0.312 120.728 120.500 -0.140 0.000 2.092 170 R HA -0.054 4.286 4.340 0.001 0.000 0.231 170 R C 2.289 178.601 176.300 0.020 0.000 1.119 170 R CA 1.022 57.046 56.100 -0.128 0.000 0.970 170 R CB -0.712 29.340 30.300 -0.414 0.000 0.864 170 R HN 0.197 nan 8.270 nan 0.000 0.440 171 I N 1.005 121.567 120.570 -0.014 0.000 2.546 171 I HA -0.077 4.093 4.170 0.001 0.000 0.255 171 I C 1.958 178.079 176.117 0.006 0.000 1.163 171 I CA 0.949 62.297 61.300 0.081 0.000 1.457 171 I CB 0.121 38.161 38.000 0.066 0.000 1.092 171 I HN 0.207 nan 8.210 nan 0.000 0.434 172 L N -0.082 121.075 121.223 -0.110 0.000 2.131 172 L HA -0.151 4.189 4.340 0.001 0.000 0.206 172 L C 2.483 179.325 176.870 -0.045 0.000 1.087 172 L CA 1.030 55.765 54.840 -0.174 0.000 0.767 172 L CB -0.527 41.357 42.059 -0.292 0.000 0.917 172 L HN 0.192 nan 8.230 nan 0.000 0.441 173 K N 0.242 120.662 120.400 0.033 0.000 1.978 173 K HA -0.279 4.041 4.320 0.001 0.000 0.214 173 K C 1.540 178.184 176.600 0.073 0.000 1.049 173 K CA 1.590 57.935 56.287 0.097 0.000 0.939 173 K CB -0.418 32.166 32.500 0.139 0.000 0.721 173 K HN 0.120 nan 8.250 nan 0.000 0.441 174 Y N -0.029 120.289 120.300 0.030 0.000 2.931 174 Y HA -0.174 4.376 4.550 0.001 0.000 0.364 174 Y C 0.681 176.547 175.900 -0.057 0.000 1.136 174 Y CA 0.331 58.447 58.100 0.027 0.000 1.416 174 Y CB -0.169 38.348 38.460 0.095 0.000 1.519 174 Y HN 0.309 nan 8.280 nan 0.000 0.455 175 A N -1.687 121.105 122.820 -0.047 0.000 2.233 175 A HA 0.127 4.447 4.320 0.001 0.000 0.163 175 A C 0.483 177.817 177.584 -0.416 0.000 1.845 175 A CA -0.274 51.650 52.037 -0.187 0.000 1.390 175 A CB -0.563 18.288 19.000 -0.248 0.000 1.601 175 A HN 0.264 nan 8.150 nan 0.000 0.398 176 F N 1.580 121.307 119.950 -0.371 0.000 2.676 176 F HA 0.271 4.799 4.527 0.001 0.000 0.300 176 F C 0.980 176.445 175.800 -0.558 0.000 1.160 176 F CA 0.503 58.104 58.000 -0.664 0.000 1.401 176 F CB 0.374 38.550 39.000 -1.375 0.000 1.037 176 F HN 0.167 nan 8.300 nan 0.000 0.522 177 D N -1.538 118.765 120.400 -0.161 0.000 2.871 177 D HA 0.106 4.747 4.640 0.001 0.000 0.291 177 D C 1.870 178.134 176.300 -0.060 0.000 1.150 177 D CA 0.285 54.239 54.000 -0.077 0.000 0.999 177 D CB -0.204 40.508 40.800 -0.147 0.000 1.452 177 D HN -0.065 nan 8.370 nan 0.000 0.465 178 L N 1.162 122.331 121.223 -0.090 0.000 2.642 178 L HA 0.112 4.452 4.340 0.001 0.000 0.236 178 L C 1.837 178.719 176.870 0.020 0.000 1.169 178 L CA 0.778 55.605 54.840 -0.021 0.000 0.851 178 L CB -0.836 41.236 42.059 0.021 0.000 0.968 178 L HN 0.028 nan 8.230 nan 0.000 0.453 179 A N -1.796 121.029 122.820 0.008 0.000 2.055 179 A HA 0.023 4.343 4.320 0.001 0.000 0.205 179 A C 2.115 179.769 177.584 0.116 0.000 1.235 179 A CA 0.032 52.103 52.037 0.056 0.000 0.822 179 A CB -0.202 18.811 19.000 0.021 0.000 0.903 179 A HN 0.299 nan 8.150 nan 0.000 0.473 180 E N 0.141 120.420 120.200 0.131 0.000 2.393 180 E HA -0.145 4.206 4.350 0.001 0.000 0.201 180 E C -0.029 176.668 176.600 0.161 0.000 1.025 180 E CA 0.806 57.344 56.400 0.231 0.000 0.856 180 E CB -0.032 29.840 29.700 0.286 0.000 0.771 180 E HN 0.480 nan 8.360 nan 0.000 0.526 181 K N 0.056 120.522 120.400 0.109 0.000 3.205 181 K HA 0.323 4.644 4.320 0.001 0.000 0.202 181 K C -0.700 175.953 176.600 0.087 0.000 1.160 181 K CA -0.117 56.221 56.287 0.085 0.000 0.995 181 K CB 1.103 33.638 32.500 0.059 0.000 1.041 181 K HN -0.134 nan 8.250 nan 0.000 0.507 182 R N -0.252 120.309 120.500 0.102 0.000 2.747 182 R HA 0.088 4.429 4.340 0.001 0.000 0.272 182 R C 0.580 176.941 176.300 0.103 0.000 1.032 182 R CA -0.690 55.470 56.100 0.101 0.000 0.896 182 R CB 0.974 31.338 30.300 0.108 0.000 1.253 182 R HN 0.211 nan 8.270 nan 0.000 0.461 183 E N 1.290 121.547 120.200 0.096 0.000 2.051 183 E HA -0.198 4.152 4.350 0.001 0.000 0.192 183 E C 0.788 177.444 176.600 0.092 0.000 0.991 183 E CA 1.519 57.971 56.400 0.086 0.000 0.799 183 E CB 0.245 29.991 29.700 0.077 0.000 0.748 183 E HN 0.420 nan 8.360 nan 0.000 0.449 184 R N 0.089 120.652 120.500 0.105 0.000 2.128 184 R HA 0.111 4.451 4.340 0.001 0.000 0.211 184 R C 0.674 177.066 176.300 0.153 0.000 1.067 184 R CA 0.568 56.735 56.100 0.112 0.000 1.010 184 R CB 0.012 30.377 30.300 0.109 0.000 0.922 184 R HN 0.032 nan 8.270 nan 0.000 0.457 185 K N 0.783 121.280 120.400 0.161 0.000 3.035 185 K HA -0.235 4.086 4.320 0.001 0.000 0.262 185 K C -0.720 176.008 176.600 0.214 0.000 1.024 185 K CA 0.759 57.154 56.287 0.179 0.000 0.748 185 K CB -1.898 30.727 32.500 0.208 0.000 1.247 185 K HN 0.391 nan 8.250 nan 0.000 0.482 186 H N -0.369 118.760 119.070 0.097 0.000 2.499 186 H HA 0.559 5.115 4.556 0.001 0.000 0.340 186 H C -0.804 174.573 175.328 0.081 0.000 1.148 186 H CA -0.646 55.462 56.048 0.100 0.000 1.215 186 H CB 1.310 31.114 29.762 0.070 0.000 1.529 186 H HN -0.002 nan 8.280 nan 0.000 0.510 187 V N 4.217 123.787 119.914 -0.573 0.000 2.588 187 V HA 0.334 4.454 4.120 0.001 0.000 0.304 187 V C -0.422 175.445 176.094 -0.379 0.000 1.042 187 V CA -0.835 61.239 62.300 -0.376 0.000 0.877 187 V CB 1.870 33.464 31.823 -0.382 0.000 0.996 187 V HN 0.925 nan 8.190 nan 0.000 0.425 188 T N 2.954 117.427 114.554 -0.135 0.000 2.788 188 T HA 0.360 4.710 4.350 0.001 0.000 0.296 188 T C 0.156 174.895 174.700 0.065 0.000 1.009 188 T CA -0.393 61.723 62.100 0.026 0.000 0.949 188 T CB 1.124 70.054 68.868 0.104 0.000 0.946 188 T HN 0.869 nan 8.240 nan 0.000 0.453 189 S N 2.532 118.329 115.700 0.162 0.000 2.523 189 S HA 0.650 5.120 4.470 0.001 0.000 0.275 189 S C 0.364 175.142 174.600 0.296 0.000 1.281 189 S CA -0.968 57.391 58.200 0.264 0.000 1.050 189 S CB 0.822 64.211 63.200 0.316 0.000 0.937 189 S HN 0.842 nan 8.310 nan 0.000 0.492 190 A N 2.907 125.901 122.820 0.291 0.000 2.331 190 A HA 0.702 5.023 4.320 0.001 0.000 0.283 190 A C 0.435 178.144 177.584 0.208 0.000 1.142 190 A CA -0.473 51.673 52.037 0.182 0.000 0.812 190 A CB 0.769 19.823 19.000 0.091 0.000 1.074 190 A HN 0.972 nan 8.150 nan 0.000 0.497 191 T N -0.053 114.607 114.554 0.177 0.000 2.787 191 T HA 0.613 4.963 4.350 0.001 0.000 0.297 191 T C -1.035 173.740 174.700 0.125 0.000 1.221 191 T CA -0.423 61.800 62.100 0.204 0.000 1.006 191 T CB 1.430 70.484 68.868 0.309 0.000 1.328 191 T HN 0.540 nan 8.240 nan 0.000 0.509 192 K N 1.075 121.512 120.400 0.062 0.000 3.394 192 K HA 0.322 4.642 4.320 0.001 0.000 0.175 192 K C 0.685 177.152 176.600 -0.221 0.000 1.047 192 K CA 0.024 56.184 56.287 -0.212 0.000 0.814 192 K CB -0.214 32.243 32.500 -0.073 0.000 0.803 192 K HN 0.456 nan 8.250 nan 0.000 0.522 193 S N -0.554 115.066 115.700 -0.134 0.000 2.786 193 S HA -0.054 4.417 4.470 0.001 0.000 0.223 193 S C 0.943 175.535 174.600 -0.014 0.000 0.956 193 S CA 0.555 58.764 58.200 0.015 0.000 0.961 193 S CB -0.487 62.818 63.200 0.174 0.000 0.784 193 S HN 0.495 nan 8.310 nan 0.000 0.519 194 N N 1.363 119.962 118.700 -0.169 0.000 2.510 194 N HA 0.195 4.935 4.740 0.001 0.000 0.186 194 N C 1.655 177.122 175.510 -0.071 0.000 1.051 194 N CA 0.793 53.800 53.050 -0.071 0.000 0.877 194 N CB -1.217 37.253 38.487 -0.029 0.000 1.183 194 N HN 0.305 nan 8.380 nan 0.000 0.443 195 G N 1.839 110.569 108.800 -0.115 0.000 2.547 195 G HA2 0.031 3.991 3.960 0.001 0.000 0.214 195 G HA3 0.031 3.991 3.960 0.001 0.000 0.214 195 G C 0.727 175.600 174.900 -0.045 0.000 1.254 195 G CA 0.536 45.595 45.100 -0.068 0.000 0.817 195 G HN 0.148 nan 8.290 nan 0.000 0.551 196 M N 1.616 121.188 119.600 -0.047 0.000 2.268 196 M HA 0.447 4.928 4.480 0.001 0.000 0.349 196 M C 0.939 177.213 176.300 -0.042 0.000 1.485 196 M CA -0.479 54.793 55.300 -0.047 0.000 1.094 196 M CB 0.568 33.128 32.600 -0.067 0.000 1.843 196 M HN 0.166 nan 8.290 nan 0.000 0.460 197 A N 3.523 126.323 122.820 -0.034 0.000 2.303 197 A HA 0.333 4.653 4.320 0.001 0.000 0.217 197 A C 1.528 179.102 177.584 -0.017 0.000 1.205 197 A CA 0.149 52.177 52.037 -0.016 0.000 0.875 197 A CB 0.109 19.103 19.000 -0.009 0.000 0.910 197 A HN 0.873 nan 8.150 nan 0.000 0.501 198 I N -1.219 119.325 120.570 -0.043 0.000 3.570 198 I HA -0.041 4.130 4.170 0.001 0.000 0.270 198 I C 2.616 178.683 176.117 -0.083 0.000 1.162 198 I CA 1.045 62.314 61.300 -0.051 0.000 1.413 198 I CB -0.218 37.744 38.000 -0.063 0.000 1.437 198 I HN 0.303 nan 8.210 nan 0.000 0.457 199 S N 1.711 117.300 115.700 -0.184 0.000 2.348 199 S HA -0.141 4.329 4.470 0.001 0.000 0.221 199 S C 2.092 176.524 174.600 -0.279 0.000 1.033 199 S CA 1.054 59.008 58.200 -0.411 0.000 1.010 199 S CB -0.372 62.386 63.200 -0.735 0.000 0.891 199 S HN 0.174 nan 8.310 nan 0.000 0.442 200 M N 2.053 121.550 119.600 -0.171 0.000 2.099 200 M HA 0.114 4.594 4.480 0.001 0.000 0.262 200 M C -0.722 175.656 176.300 0.131 0.000 1.067 200 M CA 0.673 55.960 55.300 -0.023 0.000 1.124 200 M CB -2.735 29.858 32.600 -0.012 0.000 1.353 200 M HN 0.219 nan 8.290 nan 0.000 0.410 201 P HA -0.203 nan 4.420 nan 0.000 0.216 201 P C 1.584 178.984 177.300 0.167 0.000 1.150 201 P CA 1.315 64.495 63.100 0.134 0.000 0.843 201 P CB -0.389 31.371 31.700 0.099 0.000 0.787 202 Y N -0.724 119.599 120.300 0.039 0.000 2.133 202 Y HA -0.187 4.364 4.550 0.001 0.000 0.287 202 Y C 2.406 178.369 175.900 0.106 0.000 1.134 202 Y CA 1.271 59.397 58.100 0.043 0.000 1.133 202 Y CB -1.276 37.186 38.460 0.003 0.000 0.987 202 Y HN -0.003 nan 8.280 nan 0.000 0.502 203 W N 2.001 123.216 121.300 -0.143 0.000 2.290 203 W HA -0.327 4.334 4.660 0.001 0.000 0.323 203 W C 1.490 177.924 176.519 -0.140 0.000 1.260 203 W CA 2.628 59.885 57.345 -0.146 0.000 1.266 203 W CB -0.724 28.739 29.460 0.005 0.000 1.149 203 W HN 0.258 nan 8.180 nan 0.000 0.482 204 D N 0.264 120.792 120.400 0.213 0.000 2.123 204 D HA -0.210 4.431 4.640 0.001 0.000 0.196 204 D C 1.896 178.161 176.300 -0.058 0.000 0.992 204 D CA 1.970 56.032 54.000 0.104 0.000 0.833 204 D CB -0.589 40.334 40.800 0.204 0.000 0.954 204 D HN 0.142 nan 8.370 nan 0.000 0.455 205 K N 0.321 120.679 120.400 -0.069 0.000 2.044 205 K HA -0.112 4.208 4.320 0.001 0.000 0.210 205 K C 1.955 178.420 176.600 -0.226 0.000 1.049 205 K CA 1.160 57.386 56.287 -0.102 0.000 0.927 205 K CB 0.222 32.691 32.500 -0.051 0.000 0.713 205 K HN -0.080 nan 8.250 nan 0.000 0.443 206 R N -0.391 119.873 120.500 -0.392 0.000 2.153 206 R HA 0.022 4.363 4.340 0.001 0.000 0.218 206 R C 2.264 178.299 176.300 -0.441 0.000 1.072 206 R CA 1.163 57.000 56.100 -0.438 0.000 0.990 206 R CB -0.928 29.027 30.300 -0.575 0.000 0.889 206 R HN 0.271 nan 8.270 nan 0.000 0.452 207 T N 1.567 115.823 114.554 -0.497 0.000 2.622 207 T HA -0.178 4.172 4.350 0.001 0.000 0.266 207 T C 1.666 176.045 174.700 -0.535 0.000 1.047 207 T CA 1.480 63.286 62.100 -0.489 0.000 1.159 207 T CB -0.127 68.489 68.868 -0.420 0.000 0.863 207 T HN 0.312 nan 8.240 nan 0.000 0.422 208 E N 0.884 120.785 120.200 -0.499 0.000 2.097 208 E HA -0.194 4.157 4.350 0.001 0.000 0.196 208 E C 2.423 178.828 176.600 -0.325 0.000 1.000 208 E CA 1.369 57.495 56.400 -0.457 0.000 0.804 208 E CB -0.256 29.360 29.700 -0.140 0.000 0.740 208 E HN 0.452 nan 8.360 nan 0.000 0.454 209 A N 0.852 123.515 122.820 -0.261 0.000 1.940 209 A HA -0.152 4.168 4.320 0.001 0.000 0.219 209 A C 2.160 179.589 177.584 -0.258 0.000 1.176 209 A CA 1.649 53.567 52.037 -0.198 0.000 0.631 209 A CB -0.421 18.466 19.000 -0.188 0.000 0.814 209 A HN 0.369 nan 8.150 nan 0.000 0.446 210 M N -0.955 118.420 119.600 -0.375 0.000 2.495 210 M HA 0.226 4.706 4.480 0.001 0.000 0.237 210 M C 1.782 177.664 176.300 -0.696 0.000 1.131 210 M CA 0.595 55.615 55.300 -0.466 0.000 1.032 210 M CB 0.047 32.436 32.600 -0.352 0.000 1.513 210 M HN 0.442 nan 8.290 nan 0.000 0.488 211 A N 0.085 122.466 122.820 -0.732 0.000 2.014 211 A HA 0.052 4.373 4.320 0.001 0.000 0.218 211 A C 2.084 179.506 177.584 -0.269 0.000 1.163 211 A CA 1.451 53.042 52.037 -0.744 0.000 0.652 211 A CB -0.630 17.893 19.000 -0.794 0.000 0.808 211 A HN 0.555 nan 8.150 nan 0.000 0.449 212 A N -1.481 121.263 122.820 -0.126 0.000 2.216 212 A HA -0.017 4.303 4.320 0.001 0.000 0.214 212 A C 1.669 179.261 177.584 0.015 0.000 1.160 212 A CA 1.475 53.511 52.037 -0.001 0.000 0.725 212 A CB -0.645 18.380 19.000 0.041 0.000 0.784 212 A HN 0.611 nan 8.150 nan 0.000 0.472 213 H N -2.769 116.157 119.070 -0.240 0.000 2.582 213 H HA 0.230 4.786 4.556 0.001 0.000 0.269 213 H C -0.571 174.433 175.328 -0.540 0.000 0.962 213 H CA 0.549 56.381 56.048 -0.359 0.000 1.230 213 H CB 0.134 29.663 29.762 -0.388 0.000 1.445 213 H HN 0.582 nan 8.280 nan 0.000 0.528 214 Y N 0.651 120.792 120.300 -0.265 0.000 2.584 214 Y HA 0.244 4.795 4.550 0.001 0.000 0.358 214 Y C -1.822 173.818 175.900 -0.432 0.000 1.028 214 Y CA -2.039 55.843 58.100 -0.363 0.000 1.148 214 Y CB 1.327 39.535 38.460 -0.421 0.000 1.126 214 Y HN 0.100 nan 8.280 nan 0.000 0.658 215 P HA -0.212 nan 4.420 nan 0.000 0.223 215 P C 1.097 178.433 177.300 0.061 0.000 1.151 215 P CA 1.704 64.814 63.100 0.017 0.000 0.787 215 P CB 0.136 31.871 31.700 0.058 0.000 0.788 216 H N -0.691 118.452 119.070 0.122 0.000 2.395 216 H HA 0.055 4.611 4.556 0.001 0.000 0.299 216 H C 0.610 176.041 175.328 0.172 0.000 1.070 216 H CA 0.175 56.299 56.048 0.127 0.000 1.356 216 H CB -1.464 28.364 29.762 0.111 0.000 1.401 216 H HN -0.107 nan 8.280 nan 0.000 0.524 217 V N 1.998 121.790 119.914 -0.205 0.000 2.655 217 V HA 0.061 4.181 4.120 0.001 0.000 0.300 217 V C 0.738 176.964 176.094 0.221 0.000 1.044 217 V CA -0.022 62.323 62.300 0.076 0.000 1.095 217 V CB 1.340 33.236 31.823 0.121 0.000 0.952 217 V HN 0.312 nan 8.190 nan 0.000 0.485 218 S N 5.283 121.155 115.700 0.287 0.000 2.475 218 S HA 0.718 5.189 4.470 0.001 0.000 0.298 218 S C -0.928 173.879 174.600 0.345 0.000 1.119 218 S CA -0.719 57.677 58.200 0.327 0.000 1.085 218 S CB 0.677 64.071 63.200 0.324 0.000 1.028 218 S HN 0.810 nan 8.310 nan 0.000 0.489 219 W N 4.708 126.080 121.300 0.121 0.000 3.033 219 W HA 0.652 5.313 4.660 0.001 0.000 0.336 219 W C -1.310 175.254 176.519 0.074 0.000 1.173 219 W CA -0.956 56.370 57.345 -0.033 0.000 1.185 219 W CB 0.637 30.170 29.460 0.122 0.000 1.425 219 W HN 0.669 nan 8.180 nan 0.000 0.536 220 D N 0.837 121.298 120.400 0.102 0.000 2.732 220 D HA 0.498 5.139 4.640 0.001 0.000 0.292 220 D C -1.575 174.921 176.300 0.327 0.000 1.135 220 D CA -0.767 53.246 54.000 0.021 0.000 1.071 220 D CB 2.522 43.364 40.800 0.071 0.000 1.457 220 D HN 0.399 nan 8.370 nan 0.000 0.547 221 K N 0.289 120.829 120.400 0.233 0.000 2.615 221 K HA 0.258 4.579 4.320 0.001 0.000 0.249 221 K C -1.581 175.106 176.600 0.146 0.000 0.977 221 K CA -0.372 56.087 56.287 0.288 0.000 0.833 221 K CB 1.628 34.380 32.500 0.421 0.000 1.208 221 K HN 0.475 nan 8.250 nan 0.000 0.443 222 Q N 2.848 122.731 119.800 0.139 0.000 2.340 222 Q HA 0.280 4.621 4.340 0.001 0.000 0.268 222 Q C -1.070 175.000 176.000 0.118 0.000 1.031 222 Q CA -1.122 54.725 55.803 0.073 0.000 0.804 222 Q CB 1.576 30.372 28.738 0.096 0.000 1.286 222 Q HN 0.496 nan 8.270 nan 0.000 0.448 223 H N 2.183 121.266 119.070 0.022 0.000 3.070 223 H HA -0.069 4.488 4.556 0.001 0.000 0.313 223 H C 1.031 176.290 175.328 -0.115 0.000 0.997 223 H CA -0.001 56.026 56.048 -0.036 0.000 1.438 223 H CB 0.499 30.250 29.762 -0.018 0.000 1.455 223 H HN 0.682 nan 8.280 nan 0.000 0.575 224 I N 3.044 123.523 120.570 -0.151 0.000 2.229 224 I HA -0.374 3.797 4.170 0.001 0.000 0.250 224 I C 1.744 177.727 176.117 -0.223 0.000 1.096 224 I CA 1.772 62.853 61.300 -0.365 0.000 1.358 224 I CB -0.256 37.165 38.000 -0.964 0.000 1.047 224 I HN 0.763 nan 8.210 nan 0.000 0.422 225 D N 0.452 120.769 120.400 -0.139 0.000 2.095 225 D HA -0.283 4.358 4.640 0.001 0.000 0.192 225 D C 2.159 178.449 176.300 -0.017 0.000 0.990 225 D CA 2.003 55.961 54.000 -0.071 0.000 0.836 225 D CB -1.236 39.542 40.800 -0.038 0.000 0.979 225 D HN 0.391 nan 8.370 nan 0.000 0.447 226 I N 0.249 120.835 120.570 0.027 0.000 2.151 226 I HA -0.213 3.957 4.170 0.001 0.000 0.243 226 I C 2.465 178.631 176.117 0.081 0.000 1.080 226 I CA 0.801 62.134 61.300 0.055 0.000 1.339 226 I CB -0.672 37.364 38.000 0.061 0.000 1.039 226 I HN 0.084 nan 8.210 nan 0.000 0.409 227 L N -0.151 121.109 121.223 0.062 0.000 2.089 227 L HA -0.318 4.023 4.340 0.001 0.000 0.213 227 L C 2.567 179.505 176.870 0.112 0.000 1.079 227 L CA 1.998 56.882 54.840 0.073 0.000 0.758 227 L CB -0.812 41.233 42.059 -0.023 0.000 0.891 227 L HN 0.416 nan 8.230 nan 0.000 0.433 228 C N -1.429 117.887 119.300 0.027 0.000 2.446 228 C HA -0.062 4.398 4.460 0.001 0.000 0.277 228 C C 2.937 178.009 174.990 0.138 0.000 1.275 228 C CA 0.557 59.580 59.018 0.008 0.000 1.727 228 C CB -1.264 26.426 27.740 -0.083 0.000 2.010 228 C HN 0.742 nan 8.230 nan 0.000 0.486 229 A N 0.149 123.041 122.820 0.119 0.000 1.835 229 A HA -0.203 4.118 4.320 0.001 0.000 0.215 229 A C 2.182 179.893 177.584 0.212 0.000 1.199 229 A CA 1.728 53.847 52.037 0.136 0.000 0.615 229 A CB -0.770 18.283 19.000 0.089 0.000 0.838 229 A HN 0.591 nan 8.150 nan 0.000 0.444 230 R N -1.941 118.702 120.500 0.238 0.000 2.185 230 R HA -0.206 4.135 4.340 0.001 0.000 0.247 230 R C 1.812 178.429 176.300 0.529 0.000 1.159 230 R CA 1.767 58.058 56.100 0.319 0.000 0.988 230 R CB -0.469 30.074 30.300 0.405 0.000 0.871 230 R HN 0.570 nan 8.270 nan 0.000 0.458 231 F N -0.578 119.589 119.950 0.361 0.000 2.075 231 F HA -0.246 4.282 4.527 0.001 0.000 0.297 231 F C 2.152 178.144 175.800 0.320 0.000 1.113 231 F CA 1.612 59.833 58.000 0.367 0.000 1.218 231 F CB -0.289 38.764 39.000 0.089 0.000 0.984 231 F HN -0.188 nan 8.300 nan 0.000 0.472 232 V N -0.105 120.068 119.914 0.432 0.000 2.283 232 V HA -0.264 3.857 4.120 0.001 0.000 0.243 232 V C 2.065 178.269 176.094 0.184 0.000 1.039 232 V CA 1.861 64.327 62.300 0.278 0.000 1.016 232 V CB -0.466 31.475 31.823 0.196 0.000 0.650 232 V HN 0.232 nan 8.190 nan 0.000 0.449 233 L N -0.145 121.168 121.223 0.150 0.000 2.418 233 L HA 0.024 4.365 4.340 0.001 0.000 0.218 233 L C 0.967 177.857 176.870 0.033 0.000 1.125 233 L CA 1.143 56.032 54.840 0.082 0.000 0.835 233 L CB -0.271 41.828 42.059 0.066 0.000 0.953 233 L HN 0.519 nan 8.230 nan 0.000 0.454 234 Q N -1.443 118.362 119.800 0.009 0.000 3.449 234 Q HA 0.220 4.560 4.340 0.001 0.000 0.272 234 Q C -2.257 173.564 176.000 -0.298 0.000 0.787 234 Q CA -1.095 54.631 55.803 -0.128 0.000 0.904 234 Q CB 0.590 29.222 28.738 -0.177 0.000 1.536 234 Q HN -0.001 nan 8.270 nan 0.000 0.387 235 P HA -0.186 nan 4.420 nan 0.000 0.233 235 P C 0.961 178.214 177.300 -0.079 0.000 1.167 235 P CA 1.000 64.093 63.100 -0.011 0.000 0.770 235 P CB 0.370 32.206 31.700 0.227 0.000 0.837 236 E N 0.695 120.810 120.200 -0.141 0.000 2.204 236 E HA -0.164 4.186 4.350 0.001 0.000 0.194 236 E C 1.721 178.176 176.600 -0.240 0.000 0.989 236 E CA 0.739 57.071 56.400 -0.113 0.000 0.824 236 E CB -0.669 28.980 29.700 -0.085 0.000 0.756 236 E HN 0.148 nan 8.360 nan 0.000 0.477 237 R N 0.554 120.750 120.500 -0.506 0.000 2.091 237 R HA -0.004 4.336 4.340 0.001 0.000 0.238 237 R C 0.649 176.657 176.300 -0.487 0.000 1.136 237 R CA 0.581 56.321 56.100 -0.600 0.000 0.959 237 R CB -0.769 28.988 30.300 -0.905 0.000 0.856 237 R HN 0.193 nan 8.270 nan 0.000 0.437 238 F N 0.533 120.271 119.950 -0.353 0.000 2.412 238 F HA 0.098 4.625 4.527 0.001 0.000 0.348 238 F C 1.313 176.956 175.800 -0.261 0.000 1.102 238 F CA -0.774 56.915 58.000 -0.519 0.000 1.196 238 F CB 0.580 38.745 39.000 -1.392 0.000 1.144 238 F HN -0.078 nan 8.300 nan 0.000 0.541 239 D N 0.918 121.400 120.400 0.136 0.000 3.161 239 D HA 0.181 4.822 4.640 0.001 0.000 0.287 239 D C -0.684 175.744 176.300 0.213 0.000 1.343 239 D CA 0.728 54.850 54.000 0.204 0.000 1.070 239 D CB 0.557 41.471 40.800 0.191 0.000 1.188 239 D HN 0.146 nan 8.370 nan 0.000 0.409 240 V N 1.534 121.521 119.914 0.121 0.000 2.459 240 V HA 0.524 4.645 4.120 0.001 0.000 0.295 240 V C -0.685 175.417 176.094 0.014 0.000 1.029 240 V CA -0.729 61.613 62.300 0.069 0.000 0.874 240 V CB 1.904 33.716 31.823 -0.017 0.000 0.985 240 V HN 0.050 nan 8.190 nan 0.000 0.438 241 V N 5.768 125.711 119.914 0.048 0.000 2.380 241 V HA 0.464 4.584 4.120 0.001 0.000 0.286 241 V C -0.062 176.068 176.094 0.060 0.000 1.015 241 V CA -0.497 61.813 62.300 0.018 0.000 0.834 241 V CB 1.505 33.319 31.823 -0.014 0.000 1.009 241 V HN 0.595 nan 8.190 nan 0.000 0.428 245 S N 1.424 116.886 115.700 -0.396 0.000 2.585 245 S HA 0.212 4.682 4.470 0.001 0.000 0.273 245 S C 1.105 175.465 174.600 -0.399 0.000 1.339 245 S CA 0.092 57.992 58.200 -0.500 0.000 1.028 245 S CB 0.685 63.382 63.200 -0.838 0.000 0.906 245 S HN 0.751 nan 8.310 nan 0.000 0.528 246 N N 0.817 119.261 118.700 -0.427 0.000 2.112 246 N HA -0.210 4.530 4.740 0.001 0.000 0.200 246 N C 1.472 176.663 175.510 -0.532 0.000 1.011 246 N CA 2.111 54.824 53.050 -0.563 0.000 0.891 246 N CB -0.760 37.288 38.487 -0.732 0.000 1.060 246 N HN 0.759 nan 8.380 nan 0.000 0.478 247 L N -0.288 120.736 121.223 -0.332 0.000 2.017 247 L HA -0.105 4.235 4.340 0.001 0.000 0.208 247 L C 1.208 178.143 176.870 0.108 0.000 1.073 247 L CA 1.164 55.991 54.840 -0.021 0.000 0.745 247 L CB -0.308 41.770 42.059 0.030 0.000 0.894 247 L HN 0.042 nan 8.230 nan 0.000 0.432 248 F N -0.002 119.860 119.950 -0.147 0.000 2.772 248 F HA 0.121 4.649 4.527 0.001 0.000 0.302 248 F C 1.695 177.399 175.800 -0.159 0.000 1.225 248 F CA 0.236 58.142 58.000 -0.156 0.000 1.429 248 F CB -1.762 37.126 39.000 -0.187 0.000 1.104 248 F HN 0.081 nan 8.300 nan 0.000 0.550 249 G N -0.461 108.324 108.800 -0.026 0.000 2.687 249 G HA2 -0.089 3.871 3.960 0.001 0.000 0.222 249 G HA3 -0.089 3.871 3.960 0.001 0.000 0.222 249 G C 0.991 175.838 174.900 -0.088 0.000 1.445 249 G CA -0.017 45.029 45.100 -0.090 0.000 0.836 249 G HN 0.107 nan 8.290 nan 0.000 0.598 250 D N 0.464 120.800 120.400 -0.106 0.000 2.407 250 D HA 0.053 4.693 4.640 0.001 0.000 0.234 250 D C 1.451 177.751 176.300 -0.000 0.000 1.029 250 D CA 0.024 54.002 54.000 -0.035 0.000 0.937 250 D CB 0.116 40.942 40.800 0.043 0.000 0.882 250 D HN 0.214 nan 8.370 nan 0.000 0.531 251 I N -0.620 119.942 120.570 -0.013 0.000 6.756 251 I HA -0.099 4.071 4.170 0.001 0.000 0.197 251 I C 2.211 178.253 176.117 -0.124 0.000 0.859 251 I CA -0.368 60.907 61.300 -0.042 0.000 1.663 251 I CB 0.020 38.010 38.000 -0.016 0.000 1.322 251 I HN -0.139 nan 8.210 nan 0.000 0.471 252 L N 0.656 121.740 121.223 -0.232 0.000 2.501 252 L HA -0.490 3.850 4.340 0.001 0.000 0.229 252 L C 2.491 179.199 176.870 -0.271 0.000 1.143 252 L CA 2.283 56.871 54.840 -0.420 0.000 0.837 252 L CB -2.059 39.721 42.059 -0.464 0.000 0.978 252 L HN 0.819 nan 8.230 nan 0.000 0.433 253 S N -0.936 114.679 115.700 -0.141 0.000 2.441 253 S HA -0.327 4.144 4.470 0.001 0.000 0.249 253 S C 1.346 175.908 174.600 -0.062 0.000 1.097 253 S CA 2.412 60.563 58.200 -0.081 0.000 1.080 253 S CB -0.546 62.611 63.200 -0.071 0.000 0.914 253 S HN 0.572 nan 8.310 nan 0.000 0.464 254 D N 0.788 121.149 120.400 -0.066 0.000 2.197 254 D HA 0.209 4.849 4.640 0.001 0.000 0.212 254 D C 1.869 178.146 176.300 -0.038 0.000 0.963 254 D CA 0.796 54.776 54.000 -0.034 0.000 0.864 254 D CB -0.555 40.232 40.800 -0.020 0.000 1.009 254 D HN 0.371 nan 8.370 nan 0.000 0.479 255 L N 0.899 122.066 121.223 -0.093 0.000 1.971 255 L HA -0.077 4.263 4.340 0.001 0.000 0.215 255 L C 2.018 178.894 176.870 0.009 0.000 1.072 255 L CA 2.510 57.298 54.840 -0.087 0.000 0.758 255 L CB -1.041 40.884 42.059 -0.223 0.000 0.889 255 L HN 0.100 nan 8.230 nan 0.000 0.433 256 G N -0.872 107.932 108.800 0.007 0.000 2.575 256 G HA2 -0.187 3.774 3.960 0.001 0.000 0.215 256 G HA3 -0.187 3.774 3.960 0.001 0.000 0.215 256 G C -0.607 174.420 174.900 0.212 0.000 1.262 256 G CA 0.940 46.304 45.100 0.439 0.000 0.807 256 G HN 0.403 nan 8.290 nan 0.000 0.567 257 P HA -0.070 nan 4.420 nan 0.000 0.220 257 P C 0.916 178.235 177.300 0.031 0.000 1.142 257 P CA 1.882 64.976 63.100 -0.010 0.000 0.801 257 P CB -0.024 31.643 31.700 -0.055 0.000 0.764 258 A N -1.898 120.956 122.820 0.057 0.000 2.637 258 A HA 0.163 4.483 4.320 0.001 0.000 0.293 258 A C 1.831 179.466 177.584 0.085 0.000 1.216 258 A CA -0.039 52.035 52.037 0.061 0.000 0.956 258 A CB -1.307 17.719 19.000 0.044 0.000 1.174 258 A HN 0.360 nan 8.150 nan 0.000 0.525 259 C N -1.368 118.012 119.300 0.133 0.000 2.436 259 C HA 0.160 4.620 4.460 0.001 0.000 0.277 259 C C 2.389 177.453 174.990 0.123 0.000 1.241 259 C CA 1.607 60.729 59.018 0.173 0.000 1.721 259 C CB -0.945 26.968 27.740 0.289 0.000 2.043 259 C HN 0.671 nan 8.230 nan 0.000 0.472 260 A N 0.822 123.705 122.820 0.105 0.000 2.010 260 A HA 0.541 4.862 4.320 0.001 0.000 0.210 260 A C 2.104 179.730 177.584 0.071 0.000 1.479 260 A CA 1.099 53.185 52.037 0.082 0.000 0.748 260 A CB -1.531 17.517 19.000 0.079 0.000 1.125 260 A HN 0.716 nan 8.150 nan 0.000 0.522 261 G N -0.973 107.869 108.800 0.071 0.000 2.620 261 G HA2 0.345 4.305 3.960 0.001 0.000 0.180 261 G HA3 0.345 4.305 3.960 0.001 0.000 0.180 261 G C 0.346 175.284 174.900 0.064 0.000 1.545 261 G CA 1.559 46.700 45.100 0.069 0.000 0.866 261 G HN 0.837 nan 8.290 nan 0.000 0.432 262 T N -1.804 112.788 114.554 0.064 0.000 2.775 262 T HA 0.262 4.613 4.350 0.001 0.000 0.320 262 T C 0.695 175.432 174.700 0.061 0.000 1.597 262 T CA 0.041 62.176 62.100 0.059 0.000 1.022 262 T CB 0.948 69.851 68.868 0.057 0.000 1.485 262 T HN 0.728 nan 8.240 nan 0.000 0.494 263 I N 0.148 120.752 120.570 0.056 0.000 3.564 263 I HA 0.403 4.573 4.170 0.001 0.000 0.294 263 I C 1.736 177.920 176.117 0.111 0.000 1.289 263 I CA 0.821 62.165 61.300 0.074 0.000 1.325 263 I CB -0.198 37.846 38.000 0.073 0.000 1.039 263 I HN 0.569 nan 8.210 nan 0.000 0.474 264 G N 2.673 111.520 108.800 0.079 0.000 2.623 264 G HA2 0.078 4.038 3.960 0.001 0.000 0.214 264 G HA3 0.078 4.038 3.960 0.001 0.000 0.214 264 G C 1.218 176.219 174.900 0.169 0.000 1.138 264 G CA 0.524 45.669 45.100 0.075 0.000 0.794 264 G HN 0.708 nan 8.290 nan 0.000 0.535 265 I N -2.268 118.412 120.570 0.184 0.000 3.531 265 I HA 0.708 4.878 4.170 0.001 0.000 0.341 265 I C 0.248 176.483 176.117 0.198 0.000 1.550 265 I CA -0.889 60.586 61.300 0.290 0.000 1.087 265 I CB 1.013 39.197 38.000 0.307 0.000 1.408 265 I HN -0.046 nan 8.210 nan 0.000 0.484 266 A N 3.306 126.184 122.820 0.097 0.000 2.328 266 A HA 0.766 5.086 4.320 0.001 0.000 0.318 266 A C -2.775 174.728 177.584 -0.136 0.000 1.347 266 A CA -1.424 50.557 52.037 -0.093 0.000 0.842 266 A CB 0.411 19.395 19.000 -0.026 0.000 1.148 266 A HN 0.208 nan 8.150 nan 0.000 0.499 267 P HA 0.444 nan 4.420 nan 0.000 0.279 267 P C -0.294 176.873 177.300 -0.221 0.000 1.252 267 P CA -0.147 62.781 63.100 -0.285 0.000 0.811 267 P CB 1.737 33.051 31.700 -0.644 0.000 1.035 268 S N 0.102 115.745 115.700 -0.096 0.000 2.564 268 S HA 0.834 5.305 4.470 0.001 0.000 0.274 268 S C -1.481 173.073 174.600 -0.077 0.000 1.124 268 S CA -0.868 57.269 58.200 -0.105 0.000 0.869 268 S CB 1.556 64.689 63.200 -0.111 0.000 1.105 268 S HN 0.628 nan 8.310 nan 0.000 0.472 269 A N 2.082 124.799 122.820 -0.172 0.000 2.398 269 A HA 0.745 5.066 4.320 0.001 0.000 0.301 269 A C -1.102 176.205 177.584 -0.462 0.000 1.041 269 A CA -0.853 50.982 52.037 -0.338 0.000 0.711 269 A CB 1.060 19.931 19.000 -0.215 0.000 1.240 269 A HN 0.766 nan 8.150 nan 0.000 0.420 270 N N 2.254 120.571 118.700 -0.638 0.000 2.558 270 N HA 0.453 5.193 4.740 0.001 0.000 0.242 270 N C -1.499 173.635 175.510 -0.627 0.000 0.979 270 N CA -0.211 52.522 53.050 -0.528 0.000 0.931 270 N CB 1.476 39.726 38.487 -0.396 0.000 1.122 270 N HN 0.430 nan 8.380 nan 0.000 0.508 271 L N 1.616 122.466 121.223 -0.621 0.000 2.334 271 L HA 0.377 4.717 4.340 0.001 0.000 0.276 271 L C 0.759 177.303 176.870 -0.544 0.000 1.014 271 L CA -0.395 54.035 54.840 -0.682 0.000 0.815 271 L CB 1.321 42.939 42.059 -0.735 0.000 1.268 271 L HN 0.412 nan 8.230 nan 0.000 0.428 272 N N 3.419 121.923 118.700 -0.327 0.000 2.904 272 N HA 0.250 4.990 4.740 0.001 0.000 0.257 272 N C -2.011 173.528 175.510 0.049 0.000 1.363 272 N CA -1.470 51.505 53.050 -0.124 0.000 0.856 272 N CB 1.360 39.887 38.487 0.065 0.000 1.166 272 N HN 0.310 nan 8.380 nan 0.000 0.499 273 P HA -0.167 nan 4.420 nan 0.000 0.217 273 P C 0.148 177.583 177.300 0.226 0.000 1.148 273 P CA 1.473 64.726 63.100 0.255 0.000 0.834 273 P CB 0.269 32.166 31.700 0.329 0.000 0.783 274 E N -1.275 119.034 120.200 0.180 0.000 2.494 274 E HA 0.057 4.408 4.350 0.001 0.000 0.193 274 E C 0.652 177.292 176.600 0.066 0.000 1.074 274 E CA -0.007 56.465 56.400 0.120 0.000 0.867 274 E CB -0.503 29.269 29.700 0.119 0.000 0.924 274 E HN 0.144 nan 8.360 nan 0.000 0.502 275 R N -0.442 120.119 120.500 0.101 0.000 4.024 275 R HA -0.278 4.062 4.340 0.001 0.000 0.391 275 R C 0.564 176.829 176.300 -0.059 0.000 1.157 275 R CA 1.122 57.253 56.100 0.051 0.000 1.215 275 R CB -2.052 28.247 30.300 -0.002 0.000 1.738 275 R HN 0.330 nan 8.270 nan 0.000 0.566 276 N N 0.266 118.901 118.700 -0.108 0.000 2.334 276 N HA -0.136 4.604 4.740 0.001 0.000 0.187 276 N C 0.340 175.449 175.510 -0.667 0.000 1.016 276 N CA 1.374 54.212 53.050 -0.354 0.000 0.879 276 N CB -0.059 38.197 38.487 -0.386 0.000 0.965 276 N HN 0.151 nan 8.380 nan 0.000 0.438 277 F N 0.098 119.954 119.950 -0.156 0.000 2.620 277 F HA 0.429 4.956 4.527 0.001 0.000 0.320 277 F C -2.126 173.505 175.800 -0.282 0.000 1.069 277 F CA -2.680 55.110 58.000 -0.349 0.000 0.953 277 F CB 1.364 40.092 39.000 -0.453 0.000 1.322 277 F HN -0.295 nan 8.300 nan 0.000 0.479 278 P HA 0.082 nan 4.420 nan 0.000 0.265 278 P C -0.742 176.580 177.300 0.037 0.000 1.193 278 P CA 0.055 63.126 63.100 -0.049 0.000 0.765 278 P CB 0.685 32.352 31.700 -0.055 0.000 0.823 279 S N 2.037 117.807 115.700 0.117 0.000 2.632 279 S HA 0.466 4.936 4.470 0.001 0.000 0.271 279 S C 0.160 174.740 174.600 -0.034 0.000 1.260 279 S CA -0.634 57.536 58.200 -0.050 0.000 1.010 279 S CB 0.531 63.582 63.200 -0.249 0.000 0.965 279 S HN 0.471 nan 8.310 nan 0.000 0.534 280 L N 1.837 122.863 121.223 -0.328 0.000 2.346 280 L HA 0.717 5.058 4.340 0.001 0.000 0.274 280 L C -1.920 174.621 176.870 -0.548 0.000 1.007 280 L CA -0.710 54.005 54.840 -0.207 0.000 0.818 280 L CB 0.856 42.829 42.059 -0.143 0.000 1.284 280 L HN 0.574 nan 8.230 nan 0.000 0.424 281 F N 2.922 122.954 119.950 0.136 0.000 2.518 281 F HA 0.540 5.068 4.527 0.001 0.000 0.323 281 F C -0.258 175.731 175.800 0.315 0.000 1.129 281 F CA -0.391 57.725 58.000 0.194 0.000 0.920 281 F CB 1.866 40.987 39.000 0.200 0.000 1.160 281 F HN 0.516 nan 8.300 nan 0.000 0.440 282 E N 3.499 123.887 120.200 0.312 0.000 2.412 282 E HA 0.563 4.913 4.350 0.001 0.000 0.279 282 E C -3.329 173.333 176.600 0.103 0.000 0.984 282 E CA -2.506 54.031 56.400 0.229 0.000 0.788 282 E CB 2.916 32.763 29.700 0.245 0.000 1.277 282 E HN 0.108 nan 8.360 nan 0.000 0.455 283 P HA 0.019 nan 4.420 nan 0.000 0.276 283 P C 0.740 177.919 177.300 -0.202 0.000 1.252 283 P CA -0.531 62.488 63.100 -0.135 0.000 0.802 283 P CB 1.176 32.654 31.700 -0.371 0.000 1.035 284 V N 0.230 120.063 119.914 -0.134 0.000 2.515 284 V HA -0.154 3.967 4.120 0.001 0.000 0.250 284 V C 1.410 177.464 176.094 -0.066 0.000 1.058 284 V CA 1.716 63.965 62.300 -0.084 0.000 1.064 284 V CB -1.789 30.007 31.823 -0.045 0.000 0.675 284 V HN 0.734 nan 8.190 nan 0.000 0.461 285 H N -0.821 118.265 119.070 0.027 0.000 2.639 285 H HA 0.562 5.119 4.556 0.001 0.000 0.373 285 H C 0.467 175.818 175.328 0.038 0.000 1.372 285 H CA 0.056 56.121 56.048 0.028 0.000 1.448 285 H CB 0.206 29.988 29.762 0.032 0.000 1.544 285 H HN 0.121 nan 8.280 nan 0.000 0.615 286 G N -1.235 107.700 108.800 0.225 0.000 2.795 286 G HA2 0.292 4.253 3.960 0.001 0.000 0.267 286 G HA3 0.292 4.253 3.960 0.001 0.000 0.267 286 G C 0.697 175.715 174.900 0.196 0.000 1.362 286 G CA -0.463 44.724 45.100 0.146 0.000 1.048 286 G HN 0.815 nan 8.290 nan 0.000 0.547 287 S N -1.138 114.633 115.700 0.119 0.000 2.474 287 S HA 0.226 4.696 4.470 0.001 0.000 0.235 287 S C 1.610 176.291 174.600 0.134 0.000 0.997 287 S CA 1.217 59.487 58.200 0.118 0.000 0.949 287 S CB -0.471 62.810 63.200 0.135 0.000 0.766 287 S HN 2.257 nan 8.310 nan 0.000 0.517 288 A N 2.009 124.881 122.820 0.087 0.000 2.203 288 A HA -0.091 4.229 4.320 0.001 0.000 0.279 288 A C -0.783 176.842 177.584 0.069 0.000 1.396 288 A CA 0.561 52.630 52.037 0.053 0.000 0.747 288 A CB -1.933 17.101 19.000 0.056 0.000 1.151 288 A HN 0.508 nan 8.150 nan 0.000 0.345 289 P HA -0.191 nan 4.420 nan 0.000 0.217 289 P C 1.166 178.455 177.300 -0.019 0.000 1.148 289 P CA 1.547 64.499 63.100 -0.245 0.000 0.828 289 P CB -0.057 31.078 31.700 -0.942 0.000 0.783 290 D N -1.369 119.006 120.400 -0.041 0.000 2.311 290 D HA -0.146 4.494 4.640 0.001 0.000 0.212 290 D C 1.304 177.638 176.300 0.057 0.000 0.972 290 D CA 1.136 55.135 54.000 -0.002 0.000 0.887 290 D CB -0.553 40.234 40.800 -0.022 0.000 0.915 290 D HN 0.161 nan 8.370 nan 0.000 0.497 291 I N -1.233 119.403 120.570 0.111 0.000 4.439 291 I HA 0.204 4.374 4.170 0.001 0.000 0.331 291 I C 0.008 176.224 176.117 0.166 0.000 1.345 291 I CA -0.878 60.484 61.300 0.104 0.000 1.193 291 I CB -0.558 37.480 38.000 0.064 0.000 1.221 291 I HN -0.119 nan 8.210 nan 0.000 0.429 292 F N 3.119 123.132 119.950 0.104 0.000 2.572 292 F HA 0.444 4.972 4.527 0.001 0.000 0.370 292 F C 1.464 177.319 175.800 0.092 0.000 1.103 292 F CA 0.850 58.929 58.000 0.132 0.000 1.286 292 F CB 0.542 39.711 39.000 0.282 0.000 1.105 292 F HN 0.351 nan 8.300 nan 0.000 0.583 293 G N 4.509 112.855 108.800 -0.757 0.000 2.147 293 G HA2 -0.342 3.618 3.960 0.001 0.000 0.244 293 G HA3 -0.342 3.618 3.960 0.001 0.000 0.244 293 G C 0.674 175.409 174.900 -0.275 0.000 1.005 293 G CA 0.504 45.190 45.100 -0.689 0.000 0.713 293 G HN 0.743 nan 8.290 nan 0.000 0.515 294 K N 0.021 120.328 120.400 -0.154 0.000 2.447 294 K HA 0.172 4.492 4.320 0.001 0.000 0.205 294 K C 1.110 177.677 176.600 -0.055 0.000 1.059 294 K CA -0.088 56.152 56.287 -0.077 0.000 1.065 294 K CB 0.163 32.643 32.500 -0.034 0.000 0.885 294 K HN 0.377 nan 8.250 nan 0.000 0.545 295 N N 2.062 120.724 118.700 -0.064 0.000 2.702 295 N HA -0.202 4.539 4.740 0.001 0.000 0.261 295 N C 0.377 175.876 175.510 -0.018 0.000 0.965 295 N CA 1.129 54.157 53.050 -0.036 0.000 0.795 295 N CB -1.020 37.441 38.487 -0.044 0.000 0.909 295 N HN 0.485 nan 8.380 nan 0.000 0.546 296 I N -4.326 116.238 120.570 -0.010 0.000 4.154 296 I HA 0.319 4.489 4.170 0.001 0.000 0.334 296 I C 0.771 176.886 176.117 -0.005 0.000 1.371 296 I CA -0.433 60.864 61.300 -0.005 0.000 1.110 296 I CB 0.498 38.496 38.000 -0.004 0.000 1.085 296 I HN 0.064 nan 8.210 nan 0.000 0.398 297 A N 2.587 125.404 122.820 -0.005 0.000 2.454 297 A HA 0.198 4.518 4.320 0.001 0.000 0.260 297 A C 0.199 177.770 177.584 -0.022 0.000 1.106 297 A CA -0.124 51.896 52.037 -0.028 0.000 0.780 297 A CB -0.031 18.953 19.000 -0.027 0.000 1.044 297 A HN 0.415 nan 8.150 nan 0.000 0.498 298 N N 3.574 122.253 118.700 -0.035 0.000 2.429 298 N HA 0.069 4.809 4.740 0.001 0.000 0.271 298 N C -1.885 173.649 175.510 0.041 0.000 1.272 298 N CA -1.393 51.662 53.050 0.009 0.000 0.921 298 N CB 0.885 39.381 38.487 0.015 0.000 1.128 298 N HN 0.342 nan 8.380 nan 0.000 0.481 299 P HA 0.145 nan 4.420 nan 0.000 0.261 299 P C 1.326 178.731 177.300 0.175 0.000 1.352 299 P CA 0.048 63.220 63.100 0.120 0.000 0.891 299 P CB 0.341 32.090 31.700 0.082 0.000 1.383 300 I N 0.767 121.449 120.570 0.187 0.000 2.113 300 I HA -0.260 3.910 4.170 0.001 0.000 0.238 300 I C 2.543 178.879 176.117 0.366 0.000 1.070 300 I CA 1.654 63.102 61.300 0.246 0.000 1.332 300 I CB -0.907 37.242 38.000 0.248 0.000 1.044 300 I HN -0.050 nan 8.210 nan 0.000 0.402 301 A N 0.291 123.332 122.820 0.367 0.000 1.915 301 A HA -0.351 3.969 4.320 0.001 0.000 0.220 301 A C 2.310 180.093 177.584 0.332 0.000 1.198 301 A CA 2.671 54.922 52.037 0.356 0.000 0.647 301 A CB -0.805 18.403 19.000 0.347 0.000 0.825 301 A HN 0.470 nan 8.150 nan 0.000 0.456 302 M N -0.621 119.160 119.600 0.300 0.000 2.213 302 M HA -0.011 4.470 4.480 0.001 0.000 0.263 302 M C 1.744 178.256 176.300 0.354 0.000 1.062 302 M CA 1.507 56.945 55.300 0.230 0.000 1.105 302 M CB -0.487 32.188 32.600 0.126 0.000 1.385 302 M HN 0.425 nan 8.290 nan 0.000 0.417 303 I N -1.792 118.980 120.570 0.337 0.000 2.188 303 I HA -0.251 3.920 4.170 0.001 0.000 0.237 303 I C 2.005 178.361 176.117 0.399 0.000 1.073 303 I CA 0.868 62.371 61.300 0.338 0.000 1.359 303 I CB -0.711 37.416 38.000 0.212 0.000 1.083 303 I HN 0.458 nan 8.210 nan 0.000 0.412 304 W N 1.872 123.289 121.300 0.196 0.000 2.276 304 W HA -0.305 4.355 4.660 0.001 0.000 0.307 304 W C 2.725 179.382 176.519 0.230 0.000 1.240 304 W CA 2.001 59.460 57.345 0.190 0.000 1.249 304 W CB -0.799 28.764 29.460 0.172 0.000 1.140 304 W HN 0.148 nan 8.180 nan 0.000 0.519 305 S N -0.459 115.560 115.700 0.531 0.000 2.356 305 S HA -0.134 4.337 4.470 0.001 0.000 0.223 305 S C 2.077 176.902 174.600 0.374 0.000 1.032 305 S CA 1.671 60.166 58.200 0.491 0.000 1.005 305 S CB -1.109 62.433 63.200 0.571 0.000 0.867 305 S HN 0.393 nan 8.310 nan 0.000 0.449 306 G N 1.424 110.388 108.800 0.273 0.000 2.422 306 G HA2 -0.041 3.920 3.960 0.001 0.000 0.218 306 G HA3 -0.041 3.920 3.960 0.001 0.000 0.218 306 G C 1.570 176.453 174.900 -0.029 0.000 1.146 306 G CA 0.931 45.895 45.100 -0.227 0.000 0.769 306 G HN 0.572 nan 8.290 nan 0.000 0.547 307 A N 0.959 123.878 122.820 0.166 0.000 1.873 307 A HA -0.042 4.278 4.320 0.001 0.000 0.218 307 A C 2.440 180.237 177.584 0.355 0.000 1.193 307 A CA 1.596 53.780 52.037 0.246 0.000 0.629 307 A CB -0.571 18.567 19.000 0.230 0.000 0.826 307 A HN 0.364 nan 8.150 nan 0.000 0.447 308 L N -1.333 120.116 121.223 0.376 0.000 2.131 308 L HA -0.192 4.148 4.340 0.001 0.000 0.210 308 L C 2.802 179.669 176.870 -0.004 0.000 1.092 308 L CA 1.659 56.678 54.840 0.299 0.000 0.759 308 L CB -0.519 41.778 42.059 0.397 0.000 0.903 308 L HN 0.596 nan 8.230 nan 0.000 0.435 309 M N 0.014 119.353 119.600 -0.435 0.000 2.108 309 M HA -0.228 4.252 4.480 0.001 0.000 0.261 309 M C 2.184 178.209 176.300 -0.458 0.000 1.066 309 M CA 1.842 56.399 55.300 -1.238 0.000 1.107 309 M CB 0.006 31.955 32.600 -1.084 0.000 1.356 309 M HN 0.173 nan 8.290 nan 0.000 0.406 310 L N -0.176 120.962 121.223 -0.142 0.000 1.988 310 L HA -0.212 4.128 4.340 0.001 0.000 0.207 310 L C 2.465 179.380 176.870 0.075 0.000 1.071 310 L CA 1.930 56.803 54.840 0.055 0.000 0.744 310 L CB -1.072 41.080 42.059 0.155 0.000 0.893 310 L HN 0.368 nan 8.230 nan 0.000 0.433 311 E N 0.199 120.461 120.200 0.104 0.000 2.108 311 E HA -0.332 4.018 4.350 0.001 0.000 0.203 311 E C 2.042 178.692 176.600 0.085 0.000 1.022 311 E CA 2.238 58.670 56.400 0.053 0.000 0.823 311 E CB -0.277 29.360 29.700 -0.105 0.000 0.744 311 E HN 0.365 nan 8.360 nan 0.000 0.456 312 F N 0.159 120.106 119.950 -0.005 0.000 2.128 312 F HA -0.084 4.443 4.527 0.001 0.000 0.295 312 F C 1.975 177.762 175.800 -0.021 0.000 1.100 312 F CA 1.144 59.168 58.000 0.041 0.000 1.260 312 F CB -0.469 38.650 39.000 0.198 0.000 1.009 312 F HN 0.149 nan 8.300 nan 0.000 0.476 313 L N 0.904 122.031 121.223 -0.160 0.000 2.046 313 L HA -0.002 4.338 4.340 0.001 0.000 0.208 313 L C 2.544 179.189 176.870 -0.375 0.000 1.077 313 L CA 2.204 56.844 54.840 -0.334 0.000 0.747 313 L CB -1.521 40.407 42.059 -0.217 0.000 0.896 313 L HN 0.279 nan 8.230 nan 0.000 0.432 314 G N -2.072 106.562 108.800 -0.278 0.000 2.418 314 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 314 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 314 G C 0.850 175.650 174.900 -0.166 0.000 1.158 314 G CA 0.992 45.915 45.100 -0.295 0.000 0.771 314 G HN 0.676 nan 8.290 nan 0.000 0.545 315 Q N -1.342 118.346 119.800 -0.188 0.000 2.210 315 Q HA -0.314 4.026 4.340 0.001 0.000 0.400 315 Q C 1.972 177.936 176.000 -0.060 0.000 0.660 315 Q CA 1.685 57.396 55.803 -0.153 0.000 0.981 315 Q CB -1.971 26.646 28.738 -0.202 0.000 2.203 315 Q HN 0.539 nan 8.270 nan 0.000 0.888 316 G N 1.318 110.089 108.800 -0.047 0.000 2.807 316 G HA2 0.075 4.035 3.960 0.001 0.000 0.207 316 G HA3 0.075 4.035 3.960 0.001 0.000 0.207 316 G C -0.600 174.311 174.900 0.018 0.000 1.151 316 G CA 0.646 45.739 45.100 -0.012 0.000 0.800 316 G HN 0.329 nan 8.290 nan 0.000 0.523 317 D N -0.902 119.524 120.400 0.044 0.000 2.193 317 D HA 0.245 4.885 4.640 0.001 0.000 0.244 317 D C 0.933 177.282 176.300 0.082 0.000 1.064 317 D CA -0.494 53.559 54.000 0.089 0.000 0.845 317 D CB 1.805 42.727 40.800 0.202 0.000 1.148 317 D HN 0.156 nan 8.370 nan 0.000 0.464 318 E N 2.188 122.424 120.200 0.060 0.000 2.358 318 E HA -0.124 4.226 4.350 0.001 0.000 0.195 318 E C 1.575 178.208 176.600 0.055 0.000 1.010 318 E CA 0.317 56.749 56.400 0.053 0.000 0.856 318 E CB 0.357 30.081 29.700 0.039 0.000 0.795 318 E HN 0.317 nan 8.360 nan 0.000 0.504 319 R N -0.428 120.111 120.500 0.065 0.000 2.082 319 R HA -0.193 4.147 4.340 0.001 0.000 0.234 319 R C 1.817 178.090 176.300 -0.046 0.000 1.136 319 R CA 1.943 58.054 56.100 0.018 0.000 0.935 319 R CB -0.335 29.978 30.300 0.021 0.000 0.842 319 R HN 0.289 nan 8.270 nan 0.000 0.430 320 Y N 0.412 120.683 120.300 -0.048 0.000 2.263 320 Y HA -0.232 4.318 4.550 0.001 0.000 0.292 320 Y C 2.658 178.531 175.900 -0.045 0.000 1.130 320 Y CA 1.506 59.571 58.100 -0.058 0.000 1.179 320 Y CB -0.295 38.149 38.460 -0.025 0.000 0.998 320 Y HN 0.260 nan 8.280 nan 0.000 0.532 321 Q N 1.288 121.170 119.800 0.136 0.000 2.062 321 Q HA -0.259 4.081 4.340 0.001 0.000 0.209 321 Q C 2.026 178.062 176.000 0.060 0.000 0.996 321 Q CA 2.020 57.877 55.803 0.091 0.000 0.859 321 Q CB -0.362 28.416 28.738 0.068 0.000 0.920 321 Q HN 0.322 nan 8.270 nan 0.000 0.415 322 R N -0.271 120.232 120.500 0.005 0.000 2.191 322 R HA -0.297 4.044 4.340 0.001 0.000 0.248 322 R C 2.271 178.491 176.300 -0.135 0.000 1.127 322 R CA 1.939 58.012 56.100 -0.046 0.000 0.943 322 R CB -1.127 29.140 30.300 -0.053 0.000 0.891 322 R HN 0.470 nan 8.270 nan 0.000 0.439 323 A N 0.889 123.521 122.820 -0.314 0.000 1.927 323 A HA -0.279 4.041 4.320 0.001 0.000 0.220 323 A C 2.100 179.626 177.584 -0.097 0.000 1.185 323 A CA 1.926 53.748 52.037 -0.359 0.000 0.639 323 A CB -1.032 17.763 19.000 -0.343 0.000 0.820 323 A HN 0.542 nan 8.150 nan 0.000 0.451 324 H N 0.759 119.794 119.070 -0.058 0.000 2.280 324 H HA -0.202 4.354 4.556 0.001 0.000 0.294 324 H C 1.740 177.067 175.328 -0.002 0.000 1.064 324 H CA 2.497 58.551 56.048 0.010 0.000 1.208 324 H CB -0.424 29.377 29.762 0.064 0.000 1.365 324 H HN 0.505 nan 8.280 nan 0.000 0.511 325 D N 0.834 121.276 120.400 0.070 0.000 2.154 325 D HA -0.200 4.440 4.640 0.001 0.000 0.190 325 D C 1.855 178.091 176.300 -0.107 0.000 1.003 325 D CA 1.476 55.478 54.000 0.004 0.000 0.849 325 D CB -0.781 40.067 40.800 0.080 0.000 0.942 325 D HN 0.415 nan 8.370 nan 0.000 0.446 326 D N -0.125 120.230 120.400 -0.074 0.000 2.205 326 D HA -0.208 4.433 4.640 0.001 0.000 0.190 326 D C 1.993 178.220 176.300 -0.121 0.000 1.002 326 D CA 0.978 54.937 54.000 -0.069 0.000 0.848 326 D CB -0.497 40.285 40.800 -0.030 0.000 0.975 326 D HN 0.192 nan 8.370 nan 0.000 0.449 327 M N -0.380 119.133 119.600 -0.146 0.000 2.267 327 M HA -0.184 4.296 4.480 0.001 0.000 0.263 327 M C 1.877 178.031 176.300 -0.243 0.000 1.063 327 M CA 0.850 56.057 55.300 -0.154 0.000 1.090 327 M CB 0.093 32.620 32.600 -0.121 0.000 1.392 327 M HN 0.012 nan 8.290 nan 0.000 0.422 328 L N 0.096 121.111 121.223 -0.347 0.000 2.179 328 L HA -0.090 4.251 4.340 0.001 0.000 0.208 328 L C 1.920 178.547 176.870 -0.404 0.000 1.096 328 L CA 1.536 56.121 54.840 -0.424 0.000 0.779 328 L CB -0.911 40.891 42.059 -0.428 0.000 0.922 328 L HN 0.398 nan 8.230 nan 0.000 0.443 329 N N -0.630 117.897 118.700 -0.288 0.000 2.171 329 N HA -0.173 4.567 4.740 0.001 0.000 0.184 329 N C 1.831 177.210 175.510 -0.218 0.000 1.021 329 N CA 1.025 53.924 53.050 -0.252 0.000 0.854 329 N CB 0.198 38.590 38.487 -0.158 0.000 0.994 329 N HN 0.386 nan 8.380 nan 0.000 0.426 330 A N 1.961 124.678 122.820 -0.173 0.000 1.917 330 A HA -0.147 4.173 4.320 0.001 0.000 0.219 330 A C 2.147 179.642 177.584 -0.148 0.000 1.182 330 A CA 1.013 52.973 52.037 -0.128 0.000 0.633 330 A CB -0.568 18.379 19.000 -0.089 0.000 0.819 330 A HN 0.307 nan 8.150 nan 0.000 0.448 331 I N -0.336 120.111 120.570 -0.204 0.000 2.113 331 I HA -0.249 3.921 4.170 0.001 0.000 0.238 331 I C 2.496 178.456 176.117 -0.262 0.000 1.070 331 I CA 2.043 63.217 61.300 -0.210 0.000 1.332 331 I CB -1.495 36.333 38.000 -0.287 0.000 1.044 331 I HN 0.592 nan 8.210 nan 0.000 0.402 332 E N 0.802 120.725 120.200 -0.462 0.000 2.086 332 E HA -0.261 4.090 4.350 0.001 0.000 0.200 332 E C 2.434 178.873 176.600 -0.267 0.000 1.012 332 E CA 1.482 57.558 56.400 -0.540 0.000 0.812 332 E CB 0.047 29.360 29.700 -0.646 0.000 0.743 332 E HN 0.306 nan 8.360 nan 0.000 0.453 333 R N -0.082 120.301 120.500 -0.195 0.000 2.082 333 R HA -0.136 4.204 4.340 0.001 0.000 0.228 333 R C 2.511 178.762 176.300 -0.082 0.000 1.140 333 R CA 1.602 57.632 56.100 -0.118 0.000 0.920 333 R CB -0.826 29.418 30.300 -0.093 0.000 0.828 333 R HN 0.168 nan 8.270 nan 0.000 0.430 334 V N 2.273 122.144 119.914 -0.072 0.000 2.428 334 V HA -0.313 3.808 4.120 0.001 0.000 0.255 334 V C 2.427 178.508 176.094 -0.022 0.000 1.080 334 V CA 1.589 63.865 62.300 -0.039 0.000 1.083 334 V CB -0.616 31.188 31.823 -0.031 0.000 0.665 334 V HN 0.267 nan 8.190 nan 0.000 0.461 335 I N 0.795 121.348 120.570 -0.028 0.000 2.058 335 I HA -0.239 3.931 4.170 0.001 0.000 0.235 335 I C 2.710 178.832 176.117 0.008 0.000 1.053 335 I CA 2.319 63.625 61.300 0.010 0.000 1.313 335 I CB -1.851 36.166 38.000 0.029 0.000 1.039 335 I HN 0.345 nan 8.210 nan 0.000 0.396 336 A N 0.263 123.075 122.820 -0.013 0.000 1.969 336 A HA -0.205 4.115 4.320 0.001 0.000 0.218 336 A C 1.951 179.529 177.584 -0.009 0.000 1.169 336 A CA 1.823 53.856 52.037 -0.008 0.000 0.635 336 A CB -0.896 18.092 19.000 -0.020 0.000 0.810 336 A HN 0.425 nan 8.150 nan 0.000 0.445 337 D N -1.113 119.276 120.400 -0.019 0.000 2.263 337 D HA 0.153 4.793 4.640 0.001 0.000 0.208 337 D C 1.434 177.731 176.300 -0.006 0.000 0.971 337 D CA 1.711 55.702 54.000 -0.015 0.000 0.867 337 D CB -0.126 40.660 40.800 -0.023 0.000 0.929 337 D HN 0.633 nan 8.370 nan 0.000 0.492 338 G N -0.516 108.284 108.800 0.000 0.000 2.132 338 G HA2 -0.283 3.678 3.960 0.001 0.000 0.234 338 G HA3 -0.283 3.678 3.960 0.001 0.000 0.234 338 G C 0.427 175.332 174.900 0.008 0.000 0.989 338 G CA 0.263 45.368 45.100 0.008 0.000 0.676 338 G HN 0.272 nan 8.290 nan 0.000 0.522 339 S N 0.601 116.304 115.700 0.005 0.000 3.965 339 S HA 0.515 4.985 4.470 0.001 0.000 0.195 339 S C 0.650 175.258 174.600 0.013 0.000 1.449 339 S CA 0.201 58.405 58.200 0.006 0.000 0.965 339 S CB 0.425 63.625 63.200 -0.000 0.000 1.459 339 S HN 1.497 nan 8.310 nan 0.000 0.476 340 V N -0.463 119.462 119.914 0.018 0.000 3.181 340 V HA 0.812 4.933 4.120 0.001 0.000 0.314 340 V C 0.169 176.277 176.094 0.024 0.000 1.173 340 V CA -1.098 61.218 62.300 0.027 0.000 1.052 340 V CB 1.275 33.120 31.823 0.036 0.000 1.123 340 V HN 0.408 nan 8.190 nan 0.000 0.454 341 T N -1.825 112.746 114.554 0.028 0.000 2.918 341 T HA 0.509 4.859 4.350 0.001 0.000 0.283 341 T C -1.981 172.731 174.700 0.019 0.000 1.001 341 T CA -1.672 60.440 62.100 0.020 0.000 1.041 341 T CB 1.034 69.912 68.868 0.018 0.000 1.028 341 T HN 0.574 nan 8.240 nan 0.000 0.511 342 P HA -0.165 nan 4.420 nan 0.000 0.218 342 P C 0.997 178.307 177.300 0.016 0.000 1.147 342 P CA 1.230 64.338 63.100 0.013 0.000 0.827 342 P CB -0.090 31.615 31.700 0.008 0.000 0.778 343 D N -2.380 118.030 120.400 0.017 0.000 2.344 343 D HA 0.004 4.645 4.640 0.001 0.000 0.242 343 D C 1.055 177.374 176.300 0.032 0.000 1.159 343 D CA 0.414 54.426 54.000 0.021 0.000 0.859 343 D CB -0.264 40.544 40.800 0.014 0.000 0.925 343 D HN 0.259 nan 8.370 nan 0.000 0.510 344 M N -1.518 118.102 119.600 0.034 0.000 2.004 344 M HA 0.209 4.690 4.480 0.001 0.000 0.397 344 M C 1.058 177.380 176.300 0.037 0.000 0.818 344 M CA 0.471 55.796 55.300 0.043 0.000 1.150 344 M CB 1.989 34.621 32.600 0.053 0.000 2.281 344 M HN 0.247 nan 8.290 nan 0.000 0.777 345 G N 0.238 109.055 108.800 0.028 0.000 3.134 345 G HA2 -0.102 3.858 3.960 0.001 0.000 0.195 345 G HA3 -0.102 3.858 3.960 0.001 0.000 0.195 345 G C 0.463 175.374 174.900 0.019 0.000 1.054 345 G CA -0.410 44.704 45.100 0.024 0.000 0.828 345 G HN 0.538 nan 8.290 nan 0.000 0.462 346 G N 0.139 108.950 108.800 0.019 0.000 2.614 346 G HA2 0.428 4.388 3.960 0.001 0.000 0.239 346 G HA3 0.428 4.388 3.960 0.001 0.000 0.239 346 G C 0.907 175.814 174.900 0.011 0.000 1.240 346 G CA 1.118 46.227 45.100 0.015 0.000 0.842 346 G HN 0.617 nan 8.290 nan 0.000 0.584 347 T N 0.971 115.530 114.554 0.008 0.000 3.060 347 T HA 0.156 4.506 4.350 0.001 0.000 0.249 347 T C 1.055 175.757 174.700 0.003 0.000 1.079 347 T CA -0.296 61.807 62.100 0.005 0.000 1.013 347 T CB -0.016 68.854 68.868 0.004 0.000 0.975 347 T HN 0.123 nan 8.240 nan 0.000 0.518 348 L N 2.575 123.801 121.223 0.005 0.000 2.473 348 L HA 0.269 4.609 4.340 0.001 0.000 0.265 348 L C 1.101 177.972 176.870 0.002 0.000 1.243 348 L CA 0.147 54.989 54.840 0.003 0.000 0.822 348 L CB 0.159 42.222 42.059 0.006 0.000 1.101 348 L HN 0.228 nan 8.230 nan 0.000 0.507 349 S N -1.317 114.382 115.700 -0.000 0.000 2.758 349 S HA 0.328 4.798 4.470 0.001 0.000 0.292 349 S C 0.965 175.566 174.600 0.001 0.000 1.131 349 S CA -0.123 58.075 58.200 -0.003 0.000 0.997 349 S CB 1.146 64.341 63.200 -0.009 0.000 1.111 349 S HN 0.581 nan 8.310 nan 0.000 0.552 350 T N 1.345 115.898 114.554 -0.001 0.000 2.708 350 T HA -0.090 4.261 4.350 0.001 0.000 0.266 350 T C 1.774 176.479 174.700 0.007 0.000 1.037 350 T CA 1.984 64.088 62.100 0.006 0.000 1.146 350 T CB -0.519 68.352 68.868 0.004 0.000 0.865 350 T HN 0.641 nan 8.240 nan 0.000 0.435 351 Q N 0.619 120.419 119.800 0.000 0.000 2.187 351 Q HA 0.057 4.397 4.340 0.001 0.000 0.199 351 Q C 2.299 178.300 176.000 0.001 0.000 0.957 351 Q CA 0.815 56.618 55.803 -0.001 0.000 0.857 351 Q CB -0.285 28.449 28.738 -0.008 0.000 0.929 351 Q HN 0.410 nan 8.270 nan 0.000 0.453 352 Q N -0.031 119.770 119.800 0.000 0.000 2.045 352 Q HA -0.145 4.195 4.340 0.001 0.000 0.206 352 Q C 1.849 177.852 176.000 0.005 0.000 0.991 352 Q CA 1.742 57.546 55.803 0.001 0.000 0.851 352 Q CB -0.172 28.567 28.738 0.000 0.000 0.911 352 Q HN 0.280 nan 8.270 nan 0.000 0.418 353 V N -0.318 119.602 119.914 0.010 0.000 2.626 353 V HA -0.138 3.983 4.120 0.001 0.000 0.252 353 V C 2.022 178.128 176.094 0.019 0.000 1.067 353 V CA 1.593 63.902 62.300 0.016 0.000 1.081 353 V CB -1.003 30.834 31.823 0.023 0.000 0.686 353 V HN 0.576 nan 8.190 nan 0.000 0.468 354 G N -0.016 108.795 108.800 0.019 0.000 2.421 354 G HA2 -0.182 3.779 3.960 0.001 0.000 0.216 354 G HA3 -0.182 3.779 3.960 0.001 0.000 0.216 354 G C 1.728 176.636 174.900 0.014 0.000 1.171 354 G CA 0.953 46.066 45.100 0.021 0.000 0.775 354 G HN 0.590 nan 8.290 nan 0.000 0.543 355 A N 0.922 123.746 122.820 0.007 0.000 1.968 355 A HA 0.413 4.734 4.320 0.001 0.000 0.217 355 A C 2.745 180.329 177.584 0.001 0.000 1.169 355 A CA 1.860 53.898 52.037 0.003 0.000 0.638 355 A CB -0.555 18.445 19.000 0.000 0.000 0.812 355 A HN 0.689 nan 8.150 nan 0.000 0.446 356 A N 0.203 123.024 122.820 0.001 0.000 1.902 356 A HA -0.056 4.264 4.320 0.001 0.000 0.217 356 A C 1.985 179.565 177.584 -0.007 0.000 1.181 356 A CA 1.570 53.605 52.037 -0.003 0.000 0.623 356 A CB -0.429 18.570 19.000 -0.001 0.000 0.818 356 A HN 0.408 nan 8.150 nan 0.000 0.443 357 I N 0.028 120.597 120.570 -0.002 0.000 2.252 357 I HA -0.136 4.034 4.170 0.001 0.000 0.245 357 I C 2.463 178.577 176.117 -0.005 0.000 1.102 357 I CA 1.457 62.752 61.300 -0.008 0.000 1.385 357 I CB -1.555 36.446 38.000 0.002 0.000 1.064 357 I HN 0.204 nan 8.210 nan 0.000 0.414 358 S N 0.770 116.472 115.700 0.004 0.000 2.407 358 S HA -0.247 4.223 4.470 0.001 0.000 0.235 358 S C 1.634 176.234 174.600 0.000 0.000 1.036 358 S CA 1.868 60.071 58.200 0.006 0.000 1.013 358 S CB -0.290 62.914 63.200 0.007 0.000 0.820 358 S HN 0.519 nan 8.310 nan 0.000 0.476 359 D N 1.078 121.475 120.400 -0.006 0.000 2.087 359 D HA -0.065 4.575 4.640 0.001 0.000 0.201 359 D C 1.983 178.275 176.300 -0.014 0.000 0.980 359 D CA 1.832 55.826 54.000 -0.010 0.000 0.849 359 D CB -0.836 39.957 40.800 -0.011 0.000 1.001 359 D HN 0.268 nan 8.370 nan 0.000 0.452 360 T N 1.012 115.553 114.554 -0.021 0.000 2.751 360 T HA -0.222 4.128 4.350 0.001 0.000 0.268 360 T C 1.868 176.553 174.700 -0.026 0.000 1.045 360 T CA 1.214 63.296 62.100 -0.030 0.000 1.142 360 T CB -0.504 68.337 68.868 -0.045 0.000 0.851 360 T HN 0.098 nan 8.240 nan 0.000 0.474 361 L N 0.921 122.133 121.223 -0.018 0.000 2.129 361 L HA -0.065 4.275 4.340 0.001 0.000 0.212 361 L C 2.484 179.356 176.870 0.003 0.000 1.087 361 L CA 1.760 56.598 54.840 -0.003 0.000 0.757 361 L CB -0.870 41.197 42.059 0.012 0.000 0.896 361 L HN 0.289 nan 8.230 nan 0.000 0.434 362 A N -1.340 121.476 122.820 -0.007 0.000 1.861 362 A HA -0.056 4.265 4.320 0.001 0.000 0.212 362 A C 2.187 179.761 177.584 -0.018 0.000 1.199 362 A CA 0.559 52.588 52.037 -0.014 0.000 0.613 362 A CB -0.409 18.582 19.000 -0.015 0.000 0.846 362 A HN 0.295 nan 8.150 nan 0.000 0.446 363 R N -0.511 119.978 120.500 -0.019 0.000 2.276 363 R HA -0.056 4.284 4.340 0.001 0.000 0.243 363 R C 0.151 176.438 176.300 -0.021 0.000 1.161 363 R CA 0.753 56.841 56.100 -0.020 0.000 1.007 363 R CB -1.001 29.286 30.300 -0.021 0.000 0.867 363 R HN 0.491 nan 8.270 nan 0.000 0.472 364 L N 0.000 121.211 121.223 -0.021 0.000 2.949 364 L HA 0.000 4.340 4.340 0.001 0.000 0.249 364 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 364 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 364 L HN 0.000 nan 8.230 nan 0.000 0.502