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 1h8e_1_B DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAXX XXXXXXLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.291 176.300 -0.014 0.000 2.045 24 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 24 D CB 0.000 40.795 40.800 -0.009 0.000 0.688 25 L N 2.214 123.424 121.223 -0.021 0.000 2.627 25 L HA 0.238 4.578 4.340 -0.000 0.000 0.232 25 L C 1.790 178.623 176.870 -0.061 0.000 1.150 25 L CA 0.296 55.107 54.840 -0.048 0.000 0.917 25 L CB 0.264 42.283 42.059 -0.067 0.000 1.104 25 L HN 0.317 nan 8.230 nan 0.000 0.445 26 E N -0.162 120.013 120.200 -0.043 0.000 2.166 26 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 26 E C 1.294 177.870 176.600 -0.041 0.000 0.967 26 E CA 0.472 56.847 56.400 -0.042 0.000 0.840 26 E CB 0.476 30.158 29.700 -0.030 0.000 0.795 26 E HN 0.367 nan 8.360 nan 0.000 0.470 27 E N 0.228 120.407 120.200 -0.036 0.000 2.460 27 E HA 0.037 4.387 4.350 -0.000 0.000 0.200 27 E C 0.771 177.346 176.600 -0.043 0.000 1.011 27 E CA 0.473 56.852 56.400 -0.035 0.000 0.912 27 E CB 1.133 30.817 29.700 -0.026 0.000 0.953 27 E HN 0.192 nan 8.360 nan 0.000 0.494 28 T N -2.460 112.069 114.554 -0.043 0.000 2.812 28 T HA 0.762 5.112 4.350 -0.000 0.000 0.294 28 T C 0.161 174.834 174.700 -0.045 0.000 1.159 28 T CA -0.440 61.633 62.100 -0.045 0.000 1.008 28 T CB 2.490 71.342 68.868 -0.028 0.000 1.289 28 T HN 0.018 nan 8.240 nan 0.000 0.514 29 G N -0.265 108.513 108.800 -0.036 0.000 2.682 29 G HA2 0.696 4.656 3.960 -0.000 0.000 0.303 29 G HA3 0.696 4.656 3.960 -0.000 0.000 0.303 29 G C -1.848 173.072 174.900 0.033 0.000 1.341 29 G CA -1.027 44.067 45.100 -0.011 0.000 0.784 29 G HN 0.782 nan 8.290 nan 0.000 0.497 30 R N -0.381 120.171 120.500 0.086 0.000 2.574 30 R HA 0.499 4.839 4.340 -0.000 0.000 0.288 30 R C -0.879 175.491 176.300 0.117 0.000 1.004 30 R CA -0.592 55.567 56.100 0.099 0.000 0.895 30 R CB 2.435 32.798 30.300 0.105 0.000 1.191 30 R HN 0.379 nan 8.270 nan 0.000 0.444 31 V N 6.155 126.141 119.914 0.120 0.000 2.493 31 V HA -0.058 4.062 4.120 -0.000 0.000 0.292 31 V C 1.520 177.661 176.094 0.079 0.000 1.016 31 V CA 0.659 63.033 62.300 0.122 0.000 1.097 31 V CB 0.726 32.631 31.823 0.136 0.000 0.947 31 V HN 0.792 nan 8.190 nan 0.000 0.479 32 L N 3.973 125.240 121.223 0.073 0.000 2.127 32 L HA 0.121 4.461 4.340 -0.000 0.000 0.203 32 L C 0.894 177.778 176.870 0.023 0.000 1.080 32 L CA 0.953 55.818 54.840 0.041 0.000 0.768 32 L CB 0.126 42.213 42.059 0.047 0.000 0.924 32 L HN 0.874 nan 8.230 nan 0.000 0.444 33 S N -1.185 114.530 115.700 0.026 0.000 2.552 33 S HA 0.630 5.100 4.470 -0.000 0.000 0.272 33 S C -1.078 173.522 174.600 -0.001 0.000 1.150 33 S CA -0.829 57.376 58.200 0.007 0.000 0.849 33 S CB 2.487 65.688 63.200 0.001 0.000 1.113 33 S HN 0.017 nan 8.310 nan 0.000 0.458 34 I N 0.008 120.567 120.570 -0.019 0.000 2.722 34 I HA 0.839 5.009 4.170 -0.000 0.000 0.292 34 I C -0.497 175.594 176.117 -0.043 0.000 1.267 34 I CA 0.811 62.086 61.300 -0.041 0.000 1.036 34 I CB 1.593 39.553 38.000 -0.068 0.000 1.281 34 I HN 1.636 nan 8.210 nan 0.000 0.423 35 G N 4.345 113.116 108.800 -0.049 0.000 2.352 35 G HA2 0.381 4.341 3.960 -0.000 0.000 0.305 35 G HA3 0.381 4.341 3.960 -0.000 0.000 0.305 35 G C -0.913 173.960 174.900 -0.045 0.000 1.537 35 G CA -0.197 44.876 45.100 -0.044 0.000 0.959 35 G HN 0.833 nan 8.290 nan 0.000 0.668 36 D N -1.057 119.316 120.400 -0.044 0.000 3.012 36 D HA -0.110 4.530 4.640 -0.000 0.000 0.222 36 D C 1.905 178.170 176.300 -0.058 0.000 1.167 36 D CA 3.413 57.385 54.000 -0.048 0.000 0.854 36 D CB -1.198 39.576 40.800 -0.044 0.000 1.107 36 D HN 2.316 nan 8.370 nan 0.000 0.421 37 G N -1.334 107.429 108.800 -0.063 0.000 2.257 37 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.267 37 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.267 37 G C 0.324 175.174 174.900 -0.084 0.000 0.984 37 G CA 0.602 45.657 45.100 -0.075 0.000 0.626 37 G HN 0.490 nan 8.290 nan 0.000 0.540 38 I N 1.477 122.006 120.570 -0.069 0.000 2.353 38 I HA 0.658 4.828 4.170 -0.000 0.000 0.293 38 I C 0.739 176.832 176.117 -0.039 0.000 0.992 38 I CA -1.052 60.214 61.300 -0.057 0.000 1.268 38 I CB 1.090 39.061 38.000 -0.048 0.000 1.387 38 I HN 0.327 nan 8.210 nan 0.000 0.478 39 A N 7.767 130.578 122.820 -0.015 0.000 2.260 39 A HA 0.606 4.926 4.320 -0.000 0.000 0.308 39 A C 0.082 177.701 177.584 0.059 0.000 1.254 39 A CA -0.696 51.356 52.037 0.026 0.000 0.874 39 A CB 0.419 19.468 19.000 0.082 0.000 1.153 39 A HN 0.561 nan 8.150 nan 0.000 0.527 40 R N 1.622 122.150 120.500 0.047 0.000 2.297 40 R HA 0.498 4.838 4.340 -0.000 0.000 0.308 40 R C -0.923 175.425 176.300 0.079 0.000 1.029 40 R CA -0.408 55.723 56.100 0.051 0.000 0.929 40 R CB 1.139 31.459 30.300 0.034 0.000 1.046 40 R HN 0.424 nan 8.270 nan 0.000 0.461 41 V N 3.041 123.001 119.914 0.076 0.000 2.540 41 V HA 0.164 4.284 4.120 -0.000 0.000 0.302 41 V C -0.250 175.896 176.094 0.088 0.000 1.035 41 V CA -1.003 61.349 62.300 0.087 0.000 0.873 41 V CB 1.612 33.471 31.823 0.059 0.000 0.992 41 V HN 0.708 nan 8.190 nan 0.000 0.428 42 H N 3.130 122.209 119.070 0.015 0.000 2.690 42 H HA 0.629 5.185 4.556 -0.000 0.000 0.314 42 H C 0.575 175.903 175.328 0.000 0.000 1.069 42 H CA 1.563 57.615 56.048 0.007 0.000 1.436 42 H CB 0.811 30.578 29.762 0.009 0.000 1.462 42 H HN 1.110 nan 8.280 nan 0.000 0.511 43 G N 3.266 111.766 108.800 -0.500 0.000 2.513 43 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.227 43 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.227 43 G C -0.025 174.775 174.900 -0.167 0.000 1.176 43 G CA -0.406 44.488 45.100 -0.344 0.000 0.967 43 G HN 1.157 nan 8.290 nan 0.000 0.587 44 L N -0.109 121.047 121.223 -0.112 0.000 3.742 44 L HA -0.232 4.108 4.340 -0.000 0.000 0.431 44 L C 2.289 179.116 176.870 -0.073 0.000 1.220 44 L CA 0.848 55.639 54.840 -0.081 0.000 0.863 44 L CB -0.929 41.086 42.059 -0.074 0.000 1.751 44 L HN 0.629 nan 8.230 nan 0.000 0.922 45 R N 0.288 120.741 120.500 -0.079 0.000 2.139 45 R HA -0.103 4.237 4.340 -0.000 0.000 0.243 45 R C 1.320 177.593 176.300 -0.044 0.000 1.145 45 R CA 1.488 57.550 56.100 -0.064 0.000 0.976 45 R CB -0.286 29.974 30.300 -0.066 0.000 0.866 45 R HN 0.570 nan 8.270 nan 0.000 0.449 46 N N 0.221 118.898 118.700 -0.039 0.000 2.268 46 N HA 0.001 4.741 4.740 -0.000 0.000 0.204 46 N C -0.050 175.444 175.510 -0.027 0.000 1.124 46 N CA -0.026 53.007 53.050 -0.029 0.000 0.838 46 N CB 0.422 38.894 38.487 -0.025 0.000 0.994 46 N HN -0.072 nan 8.380 nan 0.000 0.489 47 V N 1.085 120.980 119.914 -0.032 0.000 2.811 47 V HA 0.044 4.164 4.120 -0.000 0.000 0.302 47 V C 0.194 176.278 176.094 -0.017 0.000 1.063 47 V CA -0.190 62.093 62.300 -0.028 0.000 1.088 47 V CB 0.995 32.796 31.823 -0.036 0.000 0.982 47 V HN 0.231 nan 8.190 nan 0.000 0.485 48 Q N 3.573 123.367 119.800 -0.010 0.000 2.260 48 Q HA 0.629 4.969 4.340 -0.000 0.000 0.242 48 Q C 0.023 176.025 176.000 0.003 0.000 0.932 48 Q CA -0.291 55.510 55.803 -0.002 0.000 0.891 48 Q CB 1.334 30.073 28.738 0.003 0.000 1.222 48 Q HN 0.980 nan 8.270 nan 0.000 0.453 49 A N 1.840 124.665 122.820 0.008 0.000 2.488 49 A HA 0.084 4.404 4.320 -0.000 0.000 0.249 49 A C 0.011 177.609 177.584 0.023 0.000 1.083 49 A CA 0.182 52.227 52.037 0.015 0.000 0.768 49 A CB -0.200 18.810 19.000 0.017 0.000 1.017 49 A HN 0.953 nan 8.150 nan 0.000 0.496 50 E N -0.522 119.698 120.200 0.033 0.000 3.303 50 E HA -0.186 4.164 4.350 -0.000 0.000 0.302 50 E C 0.054 176.686 176.600 0.053 0.000 0.902 50 E CA 1.148 57.578 56.400 0.050 0.000 1.042 50 E CB -1.412 28.317 29.700 0.047 0.000 1.528 50 E HN 0.913 nan 8.360 nan 0.000 0.424 51 E N 0.635 120.858 120.200 0.037 0.000 2.301 51 E HA 0.347 4.697 4.350 -0.000 0.000 0.275 51 E C -0.126 176.505 176.600 0.052 0.000 1.030 51 E CA -0.627 55.794 56.400 0.035 0.000 0.852 51 E CB 0.786 30.492 29.700 0.010 0.000 1.060 51 E HN 0.043 nan 8.360 nan 0.000 0.401 52 M N 4.711 124.352 119.600 0.068 0.000 2.219 52 M HA 0.126 4.606 4.480 -0.000 0.000 0.353 52 M C -1.008 175.302 176.300 0.017 0.000 1.304 52 M CA -0.137 55.217 55.300 0.091 0.000 1.115 52 M CB 0.805 33.470 32.600 0.108 0.000 1.664 52 M HN 0.334 nan 8.290 nan 0.000 0.459 53 V N 1.767 121.666 119.914 -0.024 0.000 2.919 53 V HA 0.714 4.834 4.120 -0.000 0.000 0.316 53 V C -0.765 175.211 176.094 -0.197 0.000 1.077 53 V CA -0.810 61.402 62.300 -0.146 0.000 0.977 53 V CB 2.038 33.709 31.823 -0.254 0.000 1.039 53 V HN 0.827 nan 8.190 nan 0.000 0.441 54 E N 1.723 121.768 120.200 -0.259 0.000 2.199 54 E HA 0.548 4.897 4.350 -0.000 0.000 0.265 54 E C -1.629 174.801 176.600 -0.284 0.000 0.882 54 E CA -0.417 55.881 56.400 -0.170 0.000 0.759 54 E CB 2.192 31.860 29.700 -0.052 0.000 1.148 54 E HN 0.664 nan 8.360 nan 0.000 0.412 55 F N 0.747 120.715 119.950 0.030 0.000 2.378 55 F HA 0.049 4.576 4.527 -0.000 0.000 0.325 55 F C 2.018 177.831 175.800 0.022 0.000 1.097 55 F CA -0.228 57.785 58.000 0.022 0.000 1.079 55 F CB 1.205 40.217 39.000 0.019 0.000 1.240 55 F HN 0.483 nan 8.300 nan 0.000 0.519 56 S N -0.520 115.300 115.700 0.200 0.000 2.383 56 S HA -0.235 4.235 4.470 -0.000 0.000 0.229 56 S C 1.992 176.657 174.600 0.109 0.000 1.030 56 S CA 1.301 59.569 58.200 0.113 0.000 1.002 56 S CB -1.117 62.136 63.200 0.088 0.000 0.829 56 S HN 0.714 nan 8.310 nan 0.000 0.467 57 S N 1.087 116.865 115.700 0.129 0.000 2.465 57 S HA 0.229 4.699 4.470 -0.000 0.000 0.241 57 S C 1.791 176.447 174.600 0.093 0.000 1.000 57 S CA 1.033 59.287 58.200 0.090 0.000 0.964 57 S CB -0.987 62.251 63.200 0.063 0.000 0.763 57 S HN 1.556 nan 8.310 nan 0.000 0.512 58 G N 0.262 109.139 108.800 0.128 0.000 2.218 58 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 58 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 58 G C -0.021 174.965 174.900 0.144 0.000 0.994 58 G CA -0.061 45.104 45.100 0.109 0.000 0.637 58 G HN 0.487 nan 8.290 nan 0.000 0.505 59 L N 0.944 122.280 121.223 0.189 0.000 2.473 59 L HA 0.437 4.777 4.340 -0.000 0.000 0.268 59 L C 0.574 177.656 176.870 0.353 0.000 1.215 59 L CA -0.219 54.758 54.840 0.228 0.000 0.823 59 L CB 0.529 42.683 42.059 0.159 0.000 1.099 59 L HN -0.033 nan 8.230 nan 0.000 0.483 60 K N 1.112 121.712 120.400 0.334 0.000 2.166 60 K HA 0.757 5.077 4.320 -0.000 0.000 0.245 60 K C -0.157 176.702 176.600 0.432 0.000 0.967 60 K CA -0.561 55.933 56.287 0.345 0.000 0.863 60 K CB 1.878 34.564 32.500 0.309 0.000 1.107 60 K HN 0.736 nan 8.250 nan 0.000 0.436 61 G N -0.004 108.988 108.800 0.321 0.000 2.695 61 G HA2 0.584 4.544 3.960 -0.000 0.000 0.290 61 G HA3 0.584 4.544 3.960 -0.000 0.000 0.290 61 G C -1.557 173.375 174.900 0.052 0.000 1.410 61 G CA -0.738 44.434 45.100 0.121 0.000 0.844 61 G HN 0.468 nan 8.290 nan 0.000 0.478 62 M N 1.042 120.564 119.600 -0.130 0.000 2.294 62 M HA 0.564 5.044 4.480 -0.000 0.000 0.335 62 M C -0.441 175.853 176.300 -0.011 0.000 1.079 62 M CA -0.504 54.810 55.300 0.022 0.000 0.982 62 M CB 1.657 34.325 32.600 0.114 0.000 1.651 62 M HN 0.336 nan 8.290 nan 0.000 0.437 63 S N 5.014 120.721 115.700 0.012 0.000 2.466 63 S HA 0.104 4.574 4.470 -0.000 0.000 0.286 63 S C 0.410 175.017 174.600 0.012 0.000 1.221 63 S CA -0.527 57.675 58.200 0.002 0.000 1.091 63 S CB 0.589 63.788 63.200 -0.001 0.000 0.956 63 S HN 0.719 nan 8.310 nan 0.000 0.501 64 L N 4.782 126.007 121.223 0.003 0.000 2.356 64 L HA 0.366 4.706 4.340 -0.000 0.000 0.193 64 L C 0.115 176.991 176.870 0.010 0.000 1.087 64 L CA 1.237 56.083 54.840 0.010 0.000 0.817 64 L CB -0.132 41.922 42.059 -0.009 0.000 1.035 64 L HN 0.520 nan 8.230 nan 0.000 0.482 65 N N 0.837 119.539 118.700 0.003 0.000 2.425 65 N HA 0.432 5.172 4.740 -0.000 0.000 0.268 65 N C -1.329 174.183 175.510 0.002 0.000 0.991 65 N CA -0.377 52.675 53.050 0.004 0.000 0.931 65 N CB 1.226 39.713 38.487 0.001 0.000 1.130 65 N HN 0.103 nan 8.380 nan 0.000 0.493 66 L N 2.429 123.653 121.223 0.003 0.000 2.265 66 L HA 0.402 4.742 4.340 -0.000 0.000 0.289 66 L C 0.205 177.075 176.870 -0.000 0.000 1.033 66 L CA -0.334 54.505 54.840 -0.002 0.000 0.814 66 L CB 0.692 42.749 42.059 -0.003 0.000 1.203 66 L HN 0.482 nan 8.230 nan 0.000 0.423 67 E N 3.468 123.667 120.200 -0.001 0.000 2.299 67 E HA 0.345 4.695 4.350 -0.000 0.000 0.260 67 E C -1.800 174.800 176.600 -0.001 0.000 0.944 67 E CA -1.795 54.606 56.400 0.002 0.000 0.815 67 E CB 1.698 31.402 29.700 0.006 0.000 1.252 67 E HN 0.303 nan 8.360 nan 0.000 0.418 68 P HA -0.147 nan 4.420 nan 0.000 0.218 68 P C 0.335 177.638 177.300 0.005 0.000 1.148 68 P CA 1.365 64.466 63.100 0.002 0.000 0.822 68 P CB 0.141 31.845 31.700 0.006 0.000 0.784 69 D N -2.090 118.320 120.400 0.017 0.000 2.513 69 D HA 0.075 4.715 4.640 -0.000 0.000 0.222 69 D C -0.055 176.275 176.300 0.051 0.000 1.210 69 D CA -0.414 53.610 54.000 0.039 0.000 0.825 69 D CB -0.817 40.018 40.800 0.057 0.000 1.037 69 D HN 0.316 nan 8.370 nan 0.000 0.506 70 N N -1.732 116.982 118.700 0.023 0.000 3.046 70 N HA 0.430 5.170 4.740 -0.000 0.000 0.243 70 N C -1.988 173.525 175.510 0.005 0.000 1.452 70 N CA -0.965 52.101 53.050 0.026 0.000 0.882 70 N CB 1.543 40.059 38.487 0.048 0.000 1.425 70 N HN -0.203 nan 8.380 nan 0.000 0.517 71 V N -0.131 119.786 119.914 0.006 0.000 2.448 71 V HA 0.793 4.913 4.120 -0.000 0.000 0.295 71 V C 0.492 176.596 176.094 0.015 0.000 1.025 71 V CA -0.542 61.758 62.300 0.001 0.000 0.859 71 V CB 1.257 33.072 31.823 -0.013 0.000 0.988 71 V HN 0.885 nan 8.190 nan 0.000 0.431 72 G N 3.498 112.303 108.800 0.010 0.000 2.325 72 G HA2 0.562 4.522 3.960 -0.000 0.000 0.298 72 G HA3 0.562 4.522 3.960 -0.000 0.000 0.298 72 G C -0.870 174.034 174.900 0.008 0.000 1.134 72 G CA -0.260 44.845 45.100 0.009 0.000 0.876 72 G HN 0.542 nan 8.290 nan 0.000 0.452 73 V N 3.142 123.071 119.914 0.025 0.000 2.540 73 V HA 0.293 4.413 4.120 -0.000 0.000 0.302 73 V C 0.131 176.210 176.094 -0.025 0.000 1.035 73 V CA -0.803 61.515 62.300 0.029 0.000 0.873 73 V CB 1.874 33.781 31.823 0.139 0.000 0.992 73 V HN 0.531 nan 8.190 nan 0.000 0.428 74 V N 5.554 125.396 119.914 -0.120 0.000 2.488 74 V HA 0.245 4.365 4.120 -0.000 0.000 0.277 74 V C 0.122 176.004 176.094 -0.354 0.000 1.046 74 V CA -0.210 61.947 62.300 -0.239 0.000 0.986 74 V CB 1.615 33.257 31.823 -0.302 0.000 0.989 74 V HN 0.626 nan 8.190 nan 0.000 0.475 75 V N 6.307 126.065 119.914 -0.259 0.000 2.407 75 V HA 0.338 4.458 4.120 -0.000 0.000 0.278 75 V C -0.008 175.986 176.094 -0.167 0.000 1.037 75 V CA -0.276 61.903 62.300 -0.203 0.000 0.900 75 V CB 1.076 32.782 31.823 -0.195 0.000 0.983 75 V HN 0.730 nan 8.190 nan 0.000 0.459 76 F N 4.562 124.575 119.950 0.106 0.000 2.660 76 F HA 0.622 5.149 4.527 -0.000 0.000 0.342 76 F C 1.135 176.977 175.800 0.071 0.000 1.195 76 F CA 0.359 58.420 58.000 0.101 0.000 1.300 76 F CB 0.351 39.421 39.000 0.117 0.000 1.616 76 F HN 0.765 nan 8.300 nan 0.000 0.592 77 G N 0.838 109.742 108.800 0.173 0.000 2.368 77 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.269 77 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.269 77 G C -1.872 173.046 174.900 0.030 0.000 1.291 77 G CA -1.211 43.950 45.100 0.102 0.000 0.903 77 G HN 0.213 nan 8.290 nan 0.000 0.483 78 N N 0.538 119.243 118.700 0.007 0.000 2.458 78 N HA 0.367 5.107 4.740 -0.000 0.000 0.270 78 N C 0.952 176.420 175.510 -0.069 0.000 1.102 78 N CA 0.431 53.469 53.050 -0.020 0.000 0.967 78 N CB 1.412 39.895 38.487 -0.007 0.000 1.078 78 N HN 0.542 nan 8.380 nan 0.000 0.471 79 D N 2.341 122.690 120.400 -0.085 0.000 2.355 79 D HA -0.133 4.507 4.640 -0.000 0.000 0.218 79 D C 1.260 177.493 176.300 -0.112 0.000 1.004 79 D CA 0.662 54.581 54.000 -0.136 0.000 0.880 79 D CB -0.088 40.630 40.800 -0.138 0.000 0.911 79 D HN 0.759 nan 8.370 nan 0.000 0.528 80 K N 1.141 121.498 120.400 -0.071 0.000 2.442 80 K HA -0.077 4.243 4.320 -0.000 0.000 0.198 80 K C 1.277 177.843 176.600 -0.057 0.000 1.042 80 K CA 0.650 56.904 56.287 -0.055 0.000 0.958 80 K CB -0.280 32.200 32.500 -0.034 0.000 0.766 80 K HN 0.257 nan 8.250 nan 0.000 0.474 81 L N 1.356 122.536 121.223 -0.071 0.000 2.612 81 L HA 0.264 4.604 4.340 -0.000 0.000 0.230 81 L C 0.416 177.233 176.870 -0.087 0.000 1.140 81 L CA -0.064 54.741 54.840 -0.058 0.000 0.896 81 L CB -0.016 42.020 42.059 -0.040 0.000 1.065 81 L HN 0.138 nan 8.230 nan 0.000 0.447 82 I N 0.044 120.533 120.570 -0.135 0.000 2.433 82 I HA 0.297 4.467 4.170 -0.000 0.000 0.292 82 I C -0.314 175.751 176.117 -0.086 0.000 1.001 82 I CA -0.460 60.743 61.300 -0.162 0.000 1.119 82 I CB 1.684 39.464 38.000 -0.367 0.000 1.289 82 I HN -0.015 nan 8.210 nan 0.000 0.438 83 K N 4.492 124.871 120.400 -0.036 0.000 2.395 83 K HA 0.390 4.710 4.320 -0.000 0.000 0.247 83 K C -0.709 175.896 176.600 0.010 0.000 0.973 83 K CA -0.980 55.299 56.287 -0.014 0.000 0.828 83 K CB 2.319 34.816 32.500 -0.003 0.000 1.272 83 K HN 0.512 nan 8.250 nan 0.000 0.439 84 E N 0.301 120.506 120.200 0.007 0.000 2.502 84 E HA -0.057 4.293 4.350 -0.000 0.000 0.261 84 E C 0.561 177.176 176.600 0.026 0.000 0.974 84 E CA 1.444 57.854 56.400 0.017 0.000 0.936 84 E CB 0.165 29.869 29.700 0.006 0.000 0.926 84 E HN 0.790 nan 8.360 nan 0.000 0.459 85 G N 3.939 112.762 108.800 0.038 0.000 2.217 85 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.246 85 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.246 85 G C -0.080 174.853 174.900 0.055 0.000 0.990 85 G CA 0.167 45.289 45.100 0.038 0.000 0.627 85 G HN 0.653 nan 8.290 nan 0.000 0.522 86 D N 1.048 121.492 120.400 0.073 0.000 2.423 86 D HA 0.388 5.028 4.640 -0.000 0.000 0.238 86 D C 1.087 177.452 176.300 0.109 0.000 1.142 86 D CA -0.098 53.960 54.000 0.098 0.000 0.884 86 D CB 0.508 41.386 40.800 0.130 0.000 1.199 86 D HN 0.115 nan 8.370 nan 0.000 0.438 87 I N 1.777 122.400 120.570 0.089 0.000 2.519 87 I HA 0.150 4.320 4.170 -0.000 0.000 0.287 87 I C 0.333 176.471 176.117 0.036 0.000 1.047 87 I CA -0.429 60.904 61.300 0.055 0.000 1.381 87 I CB 0.712 38.733 38.000 0.034 0.000 1.417 87 I HN -0.003 nan 8.210 nan 0.000 0.540 88 V N 6.734 126.629 119.914 -0.032 0.000 2.656 88 V HA 0.506 4.626 4.120 -0.000 0.000 0.307 88 V C -0.167 175.839 176.094 -0.146 0.000 1.051 88 V CA -0.962 61.231 62.300 -0.178 0.000 0.893 88 V CB 2.346 34.022 31.823 -0.246 0.000 0.999 88 V HN 0.652 nan 8.190 nan 0.000 0.426 89 K N 2.974 123.270 120.400 -0.174 0.000 2.371 89 K HA 0.622 4.942 4.320 -0.000 0.000 0.251 89 K C -0.558 175.973 176.600 -0.116 0.000 0.934 89 K CA -0.948 55.272 56.287 -0.111 0.000 0.798 89 K CB 2.778 35.236 32.500 -0.069 0.000 1.204 89 K HN 0.530 nan 8.250 nan 0.000 0.427 90 R N 0.317 120.768 120.500 -0.081 0.000 2.734 90 R HA -0.009 4.331 4.340 -0.000 0.000 0.266 90 R C 1.124 177.396 176.300 -0.046 0.000 1.044 90 R CA 0.618 56.680 56.100 -0.063 0.000 1.128 90 R CB 0.387 30.660 30.300 -0.045 0.000 1.010 90 R HN 0.841 nan 8.270 nan 0.000 0.461 91 T N -2.325 112.210 114.554 -0.032 0.000 2.990 91 T HA 0.169 4.519 4.350 -0.000 0.000 0.250 91 T C 1.363 176.057 174.700 -0.010 0.000 1.041 91 T CA 0.381 62.471 62.100 -0.016 0.000 1.010 91 T CB 0.592 69.459 68.868 -0.003 0.000 1.003 91 T HN 0.803 nan 8.240 nan 0.000 0.499 92 G N 1.541 110.334 108.800 -0.012 0.000 2.205 92 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.261 92 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.261 92 G C 0.252 175.151 174.900 -0.001 0.000 0.980 92 G CA -0.033 45.063 45.100 -0.008 0.000 0.632 92 G HN 1.339 nan 8.290 nan 0.000 0.533 93 A N 0.807 123.629 122.820 0.004 0.000 2.330 93 A HA 0.754 5.074 4.320 -0.000 0.000 0.327 93 A C 0.418 178.013 177.584 0.018 0.000 1.155 93 A CA -0.707 51.335 52.037 0.009 0.000 0.803 93 A CB 0.862 19.867 19.000 0.008 0.000 1.208 93 A HN 0.510 nan 8.150 nan 0.000 0.477 94 I N 2.087 122.668 120.570 0.018 0.000 2.752 94 I HA -0.022 4.148 4.170 -0.000 0.000 0.287 94 I C 0.849 176.986 176.117 0.033 0.000 1.188 94 I CA 0.157 61.473 61.300 0.026 0.000 1.427 94 I CB 0.437 38.449 38.000 0.019 0.000 1.365 94 I HN 0.389 nan 8.210 nan 0.000 0.585 95 V N 6.763 126.711 119.914 0.055 0.000 2.678 95 V HA -0.112 4.008 4.120 -0.000 0.000 0.304 95 V C 0.246 176.348 176.094 0.014 0.000 1.086 95 V CA 0.613 62.947 62.300 0.058 0.000 1.246 95 V CB -0.472 31.412 31.823 0.102 0.000 0.861 95 V HN 0.966 nan 8.190 nan 0.000 0.491 96 D N 3.843 124.242 120.400 -0.002 0.000 2.626 96 D HA 0.715 5.355 4.640 -0.000 0.000 0.278 96 D C -0.678 175.603 176.300 -0.031 0.000 1.211 96 D CA -0.513 53.478 54.000 -0.015 0.000 0.903 96 D CB 2.116 42.912 40.800 -0.007 0.000 1.408 96 D HN 0.516 nan 8.370 nan 0.000 0.454 97 V N -5.022 114.873 119.914 -0.032 0.000 3.130 97 V HA 0.789 4.909 4.120 -0.000 0.000 0.310 97 V C -2.872 173.197 176.094 -0.042 0.000 1.158 97 V CA -2.272 60.004 62.300 -0.040 0.000 1.029 97 V CB 1.847 33.645 31.823 -0.042 0.000 1.057 97 V HN 0.612 nan 8.190 nan 0.000 0.436 98 P HA 0.409 nan 4.420 nan 0.000 0.272 98 P C -0.586 176.656 177.300 -0.096 0.000 1.223 98 P CA 0.109 63.167 63.100 -0.071 0.000 0.784 98 P CB 1.369 33.030 31.700 -0.065 0.000 0.923 99 V N -2.139 117.678 119.914 -0.161 0.000 3.206 99 V HA 1.006 5.126 4.120 -0.000 0.000 0.305 99 V C -0.169 175.621 176.094 -0.507 0.000 1.257 99 V CA -0.268 61.878 62.300 -0.257 0.000 1.057 99 V CB 1.409 33.109 31.823 -0.205 0.000 1.075 99 V HN 1.016 nan 8.190 nan 0.000 0.443 100 G N 0.528 108.822 108.800 -0.843 0.000 2.359 100 G HA2 0.108 4.068 3.960 -0.000 0.000 0.303 100 G HA3 0.108 4.068 3.960 -0.000 0.000 0.303 100 G C -0.241 174.283 174.900 -0.626 0.000 1.293 100 G CA 0.007 44.395 45.100 -1.188 0.000 0.964 100 G HN 0.854 nan 8.290 nan 0.000 0.531 101 E N -0.222 119.739 120.200 -0.400 0.000 2.418 101 E HA -0.027 4.323 4.350 -0.000 0.000 0.197 101 E C 1.929 178.518 176.600 -0.019 0.000 1.026 101 E CA 1.068 57.433 56.400 -0.058 0.000 0.862 101 E CB 0.160 29.874 29.700 0.023 0.000 0.799 101 E HN 0.528 nan 8.360 nan 0.000 0.518 102 E N 0.433 120.583 120.200 -0.084 0.000 2.204 102 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 102 E C 1.535 178.125 176.600 -0.017 0.000 0.990 102 E CA 0.595 56.969 56.400 -0.044 0.000 0.821 102 E CB -0.026 29.631 29.700 -0.071 0.000 0.750 102 E HN 0.093 nan 8.360 nan 0.000 0.477 103 L N 0.182 121.391 121.223 -0.023 0.000 2.376 103 L HA -0.002 4.338 4.340 -0.000 0.000 0.219 103 L C 0.461 177.366 176.870 0.058 0.000 1.133 103 L CA 0.704 55.551 54.840 0.012 0.000 0.816 103 L CB -0.687 41.375 42.059 0.005 0.000 0.933 103 L HN 0.109 nan 8.230 nan 0.000 0.449 104 L N -0.084 121.197 121.223 0.095 0.000 2.490 104 L HA 0.238 4.578 4.340 -0.000 0.000 0.274 104 L C 1.518 178.431 176.870 0.072 0.000 1.201 104 L CA 0.590 55.505 54.840 0.126 0.000 0.869 104 L CB -0.298 41.880 42.059 0.198 0.000 1.123 104 L HN 0.446 nan 8.230 nan 0.000 0.484 105 G N 1.677 110.503 108.800 0.042 0.000 2.162 105 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 105 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 105 G C 0.299 175.198 174.900 -0.000 0.000 0.976 105 G CA -0.254 44.847 45.100 0.001 0.000 0.655 105 G HN 0.488 nan 8.290 nan 0.000 0.533 106 R N -0.654 119.853 120.500 0.013 0.000 2.758 106 R HA 0.747 5.087 4.340 -0.000 0.000 0.265 106 R C -0.298 176.010 176.300 0.013 0.000 1.016 106 R CA -0.837 55.268 56.100 0.009 0.000 1.040 106 R CB 1.573 31.880 30.300 0.012 0.000 1.152 106 R HN 0.257 nan 8.270 nan 0.000 0.503 107 V N 2.001 121.922 119.914 0.011 0.000 2.378 107 V HA 0.418 4.538 4.120 -0.000 0.000 0.288 107 V C 0.116 176.221 176.094 0.018 0.000 1.016 107 V CA -0.802 61.510 62.300 0.018 0.000 0.840 107 V CB 1.483 33.315 31.823 0.015 0.000 0.994 107 V HN 0.607 nan 8.190 nan 0.000 0.431 108 V N 1.197 121.124 119.914 0.022 0.000 3.046 108 V HA 0.841 4.961 4.120 -0.000 0.000 0.316 108 V C -0.307 175.797 176.094 0.017 0.000 1.104 108 V CA -0.842 61.467 62.300 0.015 0.000 1.006 108 V CB 2.118 33.945 31.823 0.008 0.000 1.058 108 V HN 0.788 nan 8.190 nan 0.000 0.440 109 D N 1.759 122.167 120.400 0.012 0.000 2.440 109 D HA 0.475 5.115 4.640 -0.000 0.000 0.269 109 D C 1.158 177.454 176.300 -0.006 0.000 1.249 109 D CA 0.071 54.078 54.000 0.012 0.000 1.055 109 D CB 0.806 41.616 40.800 0.018 0.000 1.104 109 D HN 0.835 nan 8.370 nan 0.000 0.561 110 A N -0.850 121.961 122.820 -0.015 0.000 2.121 110 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 110 A C 2.150 179.673 177.584 -0.102 0.000 1.154 110 A CA 0.738 52.743 52.037 -0.052 0.000 0.679 110 A CB -0.821 18.146 19.000 -0.056 0.000 0.795 110 A HN 0.512 nan 8.150 nan 0.000 0.458 111 L N -1.867 119.304 121.223 -0.088 0.000 2.567 111 L HA 0.253 4.593 4.340 -0.000 0.000 0.225 111 L C 1.686 178.521 176.870 -0.058 0.000 1.119 111 L CA 0.673 55.451 54.840 -0.104 0.000 0.871 111 L CB 0.153 42.168 42.059 -0.073 0.000 1.036 111 L HN 0.524 nan 8.230 nan 0.000 0.459 112 G N -0.702 108.076 108.800 -0.037 0.000 2.176 112 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 112 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 112 G C 0.059 174.950 174.900 -0.014 0.000 0.986 112 G CA -0.441 44.645 45.100 -0.025 0.000 0.643 112 G HN 0.301 nan 8.290 nan 0.000 0.522 113 N N 1.209 119.904 118.700 -0.007 0.000 2.518 113 N HA 0.513 5.253 4.740 -0.000 0.000 0.266 113 N C 0.673 176.185 175.510 0.004 0.000 1.196 113 N CA 0.650 53.700 53.050 0.001 0.000 0.947 113 N CB 1.209 39.702 38.487 0.010 0.000 1.098 113 N HN 0.737 nan 8.380 nan 0.000 0.450 114 A N 1.606 124.428 122.820 0.003 0.000 2.477 114 A HA 0.273 4.593 4.320 -0.000 0.000 0.246 114 A C 1.222 178.812 177.584 0.009 0.000 1.078 114 A CA -0.125 51.915 52.037 0.005 0.000 0.770 114 A CB -0.419 18.583 19.000 0.003 0.000 1.011 114 A HN 0.819 nan 8.150 nan 0.000 0.494 115 I N -1.359 119.217 120.570 0.011 0.000 4.442 115 I HA 0.247 4.417 4.170 -0.000 0.000 0.331 115 I C 0.333 176.456 176.117 0.010 0.000 1.364 115 I CA 0.019 61.327 61.300 0.013 0.000 1.207 115 I CB 0.589 38.600 38.000 0.018 0.000 1.298 115 I HN 0.427 nan 8.210 nan 0.000 0.463 116 D N 1.329 121.733 120.400 0.007 0.000 2.339 116 D HA 0.173 4.813 4.640 -0.000 0.000 0.217 116 D C 1.745 178.046 176.300 0.001 0.000 1.050 116 D CA 0.616 54.618 54.000 0.003 0.000 0.856 116 D CB 0.113 40.913 40.800 -0.000 0.000 0.922 116 D HN 0.448 nan 8.370 nan 0.000 0.518 117 G N 0.854 109.656 108.800 0.003 0.000 2.189 117 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.267 117 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.267 117 G C 0.842 175.743 174.900 0.001 0.000 0.975 117 G CA 0.479 45.581 45.100 0.002 0.000 0.644 117 G HN 0.472 nan 8.290 nan 0.000 0.537 118 K N 0.553 120.953 120.400 -0.000 0.000 2.469 118 K HA 0.474 4.794 4.320 -0.000 0.000 0.201 118 K C 1.304 177.903 176.600 -0.000 0.000 1.028 118 K CA 0.449 56.735 56.287 -0.001 0.000 1.170 118 K CB 0.247 32.746 32.500 -0.002 0.000 0.874 118 K HN 1.421 nan 8.250 nan 0.000 0.507 119 G N 2.123 110.923 108.800 0.000 0.000 2.655 119 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.680 119 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.680 119 G C -2.781 172.118 174.900 -0.001 0.000 1.302 119 G CA -1.397 43.703 45.100 -0.000 0.000 0.872 119 G HN -0.033 nan 8.290 nan 0.000 0.540 120 P HA 0.341 nan 4.420 nan 0.000 0.266 120 P C 0.392 177.687 177.300 -0.009 0.000 1.193 120 P CA -0.272 62.825 63.100 -0.005 0.000 0.770 120 P CB 0.302 31.999 31.700 -0.006 0.000 0.836 121 I N 1.605 122.168 120.570 -0.013 0.000 2.441 121 I HA 0.117 4.287 4.170 -0.000 0.000 0.287 121 I C 1.630 177.731 176.117 -0.027 0.000 1.049 121 I CA 0.136 61.424 61.300 -0.020 0.000 1.381 121 I CB 0.389 38.373 38.000 -0.026 0.000 1.409 121 I HN 0.493 nan 8.210 nan 0.000 0.523 122 G N 4.236 113.019 108.800 -0.029 0.000 3.374 122 G HA2 0.017 3.977 3.960 -0.000 0.000 0.252 122 G HA3 0.017 3.977 3.960 -0.000 0.000 0.252 122 G C 0.715 175.586 174.900 -0.048 0.000 1.326 122 G CA -0.154 44.927 45.100 -0.031 0.000 1.133 122 G HN 0.653 nan 8.290 nan 0.000 0.528 123 S N -0.232 115.432 115.700 -0.060 0.000 2.560 123 S HA 0.180 4.650 4.470 -0.000 0.000 0.284 123 S C 1.103 175.656 174.600 -0.078 0.000 1.327 123 S CA 0.015 58.162 58.200 -0.089 0.000 1.055 123 S CB 1.040 64.180 63.200 -0.100 0.000 0.868 123 S HN 0.380 nan 8.310 nan 0.000 0.506 124 K N 1.905 122.248 120.400 -0.095 0.000 2.374 124 K HA 0.379 4.699 4.320 -0.000 0.000 0.202 124 K C 0.051 176.607 176.600 -0.073 0.000 1.040 124 K CA 0.077 56.321 56.287 -0.071 0.000 1.085 124 K CB 0.948 33.413 32.500 -0.059 0.000 0.873 124 K HN 0.671 nan 8.250 nan 0.000 0.539 125 A N 1.311 124.069 122.820 -0.102 0.000 2.539 125 A HA 0.697 5.017 4.320 -0.000 0.000 0.296 125 A C -1.110 176.423 177.584 -0.085 0.000 1.073 125 A CA -0.818 51.171 52.037 -0.081 0.000 0.700 125 A CB 1.432 20.386 19.000 -0.078 0.000 1.296 125 A HN 0.079 nan 8.150 nan 0.000 0.405 126 R N -0.291 120.178 120.500 -0.051 0.000 2.892 126 R HA 0.824 5.164 4.340 -0.000 0.000 0.265 126 R C -0.614 175.672 176.300 -0.023 0.000 1.025 126 R CA -0.865 55.210 56.100 -0.042 0.000 0.982 126 R CB 2.457 32.739 30.300 -0.030 0.000 1.185 126 R HN 0.766 nan 8.270 nan 0.000 0.484 127 R N 0.768 121.258 120.500 -0.017 0.000 2.548 127 R HA 0.281 4.621 4.340 -0.000 0.000 0.280 127 R C -1.051 175.250 176.300 0.001 0.000 1.061 127 R CA -0.734 55.366 56.100 0.001 0.000 0.915 127 R CB 1.567 31.876 30.300 0.015 0.000 1.210 127 R HN 0.530 nan 8.270 nan 0.000 0.442 128 R N 2.231 122.734 120.500 0.005 0.000 2.538 128 R HA -0.015 4.325 4.340 -0.000 0.000 0.282 128 R C 1.483 177.785 176.300 0.002 0.000 1.009 128 R CA 0.395 56.496 56.100 0.002 0.000 1.063 128 R CB 0.698 31.001 30.300 0.004 0.000 0.945 128 R HN 0.588 nan 8.270 nan 0.000 0.414 129 V N 0.988 120.897 119.914 -0.008 0.000 2.809 129 V HA 0.026 4.146 4.120 -0.000 0.000 0.256 129 V C 1.252 177.335 176.094 -0.020 0.000 1.080 129 V CA 1.792 64.092 62.300 -0.001 0.000 1.102 129 V CB -0.093 31.718 31.823 -0.020 0.000 0.705 129 V HN 0.854 nan 8.190 nan 0.000 0.475 130 G N 0.074 108.841 108.800 -0.054 0.000 3.605 130 G HA2 0.383 4.343 3.960 -0.000 0.000 0.277 130 G HA3 0.383 4.343 3.960 -0.000 0.000 0.277 130 G C 0.314 175.189 174.900 -0.041 0.000 1.093 130 G CA -0.487 44.556 45.100 -0.094 0.000 0.821 130 G HN 0.452 nan 8.290 nan 0.000 0.532 131 L N 1.130 122.348 121.223 -0.008 0.000 2.540 131 L HA 0.107 4.447 4.340 -0.000 0.000 0.276 131 L C 1.055 177.930 176.870 0.008 0.000 1.212 131 L CA -0.009 54.834 54.840 0.005 0.000 0.893 131 L CB 0.692 42.760 42.059 0.015 0.000 1.138 131 L HN 0.096 nan 8.230 nan 0.000 0.491 132 K N 2.571 122.978 120.400 0.013 0.000 2.414 132 K HA 0.265 4.585 4.320 -0.000 0.000 0.272 132 K C 0.050 176.658 176.600 0.013 0.000 0.993 132 K CA -0.411 55.888 56.287 0.019 0.000 0.964 132 K CB 0.803 33.318 32.500 0.026 0.000 0.925 132 K HN 0.691 nan 8.250 nan 0.000 0.487 133 A N 4.906 127.734 122.820 0.013 0.000 2.386 133 A HA 0.269 4.589 4.320 -0.000 0.000 0.246 133 A C -2.142 175.432 177.584 -0.016 0.000 1.089 133 A CA -1.138 50.900 52.037 0.002 0.000 0.790 133 A CB -0.506 18.496 19.000 0.004 0.000 1.042 133 A HN 0.607 nan 8.150 nan 0.000 0.497 134 P HA 0.180 nan 4.420 nan 0.000 0.265 134 P C 0.658 177.912 177.300 -0.077 0.000 1.187 134 P CA 0.625 63.675 63.100 -0.083 0.000 0.766 134 P CB 0.277 31.902 31.700 -0.124 0.000 0.820 135 G N 1.251 109.993 108.800 -0.097 0.000 2.489 135 G HA2 0.158 4.118 3.960 -0.000 0.000 0.271 135 G HA3 0.158 4.118 3.960 -0.000 0.000 0.271 135 G C 1.083 175.932 174.900 -0.086 0.000 1.427 135 G CA -0.617 44.440 45.100 -0.071 0.000 1.057 135 G HN 0.426 nan 8.290 nan 0.000 0.532 136 I N -0.041 120.491 120.570 -0.062 0.000 2.286 136 I HA -0.090 4.080 4.170 -0.000 0.000 0.245 136 I C 2.501 178.572 176.117 -0.076 0.000 1.104 136 I CA 0.504 61.771 61.300 -0.054 0.000 1.397 136 I CB -0.129 37.855 38.000 -0.027 0.000 1.072 136 I HN 0.239 nan 8.210 nan 0.000 0.417 137 I N 1.273 121.791 120.570 -0.087 0.000 2.202 137 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 137 I C -0.291 175.724 176.117 -0.171 0.000 1.091 137 I CA 1.606 62.858 61.300 -0.081 0.000 1.368 137 I CB -2.780 35.207 38.000 -0.022 0.000 1.058 137 I HN 0.166 nan 8.210 nan 0.000 0.410 138 P HA -0.050 nan 4.420 nan 0.000 0.236 138 P C 0.398 177.501 177.300 -0.328 0.000 1.172 138 P CA 0.897 63.508 63.100 -0.814 0.000 0.759 138 P CB 0.016 30.934 31.700 -1.303 0.000 0.843 139 R N -0.626 119.772 120.500 -0.171 0.000 2.691 139 R HA 0.662 5.002 4.340 -0.000 0.000 0.259 139 R C -0.433 175.850 176.300 -0.028 0.000 1.048 139 R CA -0.856 55.195 56.100 -0.082 0.000 1.086 139 R CB 0.925 31.185 30.300 -0.067 0.000 1.166 139 R HN -0.099 nan 8.270 nan 0.000 0.526 140 I N -0.595 119.970 120.570 -0.008 0.000 3.006 140 I HA 0.219 4.389 4.170 -0.000 0.000 0.306 140 I C -0.808 175.311 176.117 0.004 0.000 1.250 140 I CA -0.481 60.822 61.300 0.006 0.000 0.996 140 I CB 2.339 40.352 38.000 0.021 0.000 1.261 140 I HN 0.775 nan 8.210 nan 0.000 0.442 141 S N 4.963 120.666 115.700 0.005 0.000 2.562 141 S HA 0.440 4.910 4.470 -0.000 0.000 0.281 141 S C 0.344 174.946 174.600 0.003 0.000 1.333 141 S CA -0.313 57.888 58.200 0.002 0.000 1.052 141 S CB 0.594 63.795 63.200 0.002 0.000 0.884 141 S HN 1.275 nan 8.310 nan 0.000 0.506 142 V N 1.699 121.612 119.914 -0.001 0.000 2.788 142 V HA 0.325 4.445 4.120 -0.000 0.000 0.307 142 V C 0.888 176.975 176.094 -0.011 0.000 1.069 142 V CA 0.258 62.556 62.300 -0.005 0.000 1.173 142 V CB -0.054 31.762 31.823 -0.011 0.000 0.925 142 V HN 1.172 nan 8.190 nan 0.000 0.492 143 R N 0.914 121.402 120.500 -0.019 0.000 2.471 143 R HA 0.403 4.743 4.340 -0.000 0.000 0.326 143 R C -0.257 176.015 176.300 -0.046 0.000 0.875 143 R CA -0.441 55.645 56.100 -0.024 0.000 1.102 143 R CB 0.154 30.447 30.300 -0.012 0.000 1.749 143 R HN 0.738 nan 8.270 nan 0.000 0.487 144 E N 2.603 122.760 120.200 -0.071 0.000 2.199 144 E HA 0.409 4.759 4.350 -0.000 0.000 0.269 144 E C -2.753 173.764 176.600 -0.137 0.000 0.899 144 E CA -2.569 53.759 56.400 -0.120 0.000 0.772 144 E CB 2.101 31.694 29.700 -0.179 0.000 1.155 144 E HN -0.092 nan 8.360 nan 0.000 0.408 145 P HA 0.017 nan 4.420 nan 0.000 0.271 145 P C -0.683 176.510 177.300 -0.179 0.000 1.216 145 P CA -0.152 62.869 63.100 -0.133 0.000 0.771 145 P CB 0.444 32.076 31.700 -0.113 0.000 0.864 146 M N 3.799 123.321 119.600 -0.130 0.000 2.385 146 M HA 0.130 4.610 4.480 -0.000 0.000 0.346 146 M C -0.513 175.739 176.300 -0.081 0.000 1.180 146 M CA -0.427 54.793 55.300 -0.134 0.000 1.154 146 M CB -0.120 32.422 32.600 -0.097 0.000 1.251 146 M HN 0.299 nan 8.290 nan 0.000 0.430 147 Q N 2.335 122.087 119.800 -0.079 0.000 2.286 147 Q HA 0.129 4.468 4.340 -0.000 0.000 0.267 147 Q C 1.295 177.331 176.000 0.059 0.000 1.028 147 Q CA 0.217 56.032 55.803 0.019 0.000 0.901 147 Q CB 0.671 29.481 28.738 0.119 0.000 1.183 147 Q HN 0.726 nan 8.270 nan 0.000 0.392 148 T N -1.351 113.227 114.554 0.039 0.000 3.043 148 T HA 0.098 4.448 4.350 -0.000 0.000 0.263 148 T C 1.272 176.001 174.700 0.049 0.000 1.094 148 T CA 0.609 62.734 62.100 0.041 0.000 1.127 148 T CB 0.110 68.993 68.868 0.024 0.000 0.905 148 T HN 0.815 nan 8.240 nan 0.000 0.490 149 G N 1.415 110.245 108.800 0.050 0.000 2.179 149 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 149 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 149 G C 0.029 174.941 174.900 0.020 0.000 0.977 149 G CA 0.116 45.236 45.100 0.034 0.000 0.641 149 G HN 0.662 nan 8.290 nan 0.000 0.533 150 I N 0.941 121.522 120.570 0.019 0.000 2.312 150 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 150 I C 1.555 177.680 176.117 0.014 0.000 1.008 150 I CA -0.793 60.514 61.300 0.012 0.000 1.226 150 I CB 1.362 39.369 38.000 0.011 0.000 1.371 150 I HN -0.003 nan 8.210 nan 0.000 0.468 151 K N 4.413 124.821 120.400 0.012 0.000 2.020 151 K HA -0.233 4.087 4.320 -0.000 0.000 0.212 151 K C 2.100 178.709 176.600 0.014 0.000 1.050 151 K CA 1.925 58.221 56.287 0.015 0.000 0.929 151 K CB -0.215 32.293 32.500 0.014 0.000 0.714 151 K HN 0.795 nan 8.250 nan 0.000 0.443 152 A N 0.912 123.739 122.820 0.013 0.000 1.978 152 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 152 A C 2.368 179.963 177.584 0.018 0.000 1.170 152 A CA 1.642 53.689 52.037 0.016 0.000 0.636 152 A CB -0.563 18.448 19.000 0.019 0.000 0.810 152 A HN 0.107 nan 8.150 nan 0.000 0.448 153 V N 0.031 119.955 119.914 0.017 0.000 2.331 153 V HA -0.136 3.984 4.120 -0.000 0.000 0.242 153 V C 2.039 178.140 176.094 0.011 0.000 1.034 153 V CA 1.904 64.212 62.300 0.014 0.000 1.027 153 V CB -0.736 31.093 31.823 0.011 0.000 0.667 153 V HN 0.436 nan 8.190 nan 0.000 0.457 154 D N 0.670 121.078 120.400 0.013 0.000 2.218 154 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 154 D C 2.379 178.686 176.300 0.012 0.000 0.976 154 D CA 1.772 55.779 54.000 0.012 0.000 0.853 154 D CB -0.089 40.722 40.800 0.020 0.000 0.939 154 D HN 0.606 nan 8.370 nan 0.000 0.481 155 S N -0.595 115.114 115.700 0.015 0.000 2.387 155 S HA 0.063 4.533 4.470 -0.000 0.000 0.221 155 S C 2.018 176.626 174.600 0.013 0.000 1.041 155 S CA 0.182 58.391 58.200 0.015 0.000 0.959 155 S CB -0.248 62.962 63.200 0.016 0.000 0.843 155 S HN 0.184 nan 8.310 nan 0.000 0.488 156 L N 0.892 122.125 121.223 0.015 0.000 2.515 156 L HA 0.376 4.716 4.340 -0.000 0.000 0.223 156 L C -0.057 176.825 176.870 0.019 0.000 1.079 156 L CA 0.108 54.959 54.840 0.019 0.000 0.857 156 L CB 0.621 42.694 42.059 0.024 0.000 1.050 156 L HN 0.171 nan 8.230 nan 0.000 0.476 157 V N 0.841 120.763 119.914 0.014 0.000 2.572 157 V HA 0.241 4.361 4.120 -0.000 0.000 0.274 157 V C -2.407 173.687 176.094 -0.001 0.000 1.075 157 V CA -1.301 61.004 62.300 0.008 0.000 1.237 157 V CB 0.121 31.948 31.823 0.006 0.000 1.517 157 V HN -0.004 nan 8.190 nan 0.000 0.616 158 P HA 0.195 nan 4.420 nan 0.000 0.265 158 P C -0.329 176.962 177.300 -0.016 0.000 1.193 158 P CA 0.546 63.642 63.100 -0.008 0.000 0.765 158 P CB 1.117 32.813 31.700 -0.007 0.000 0.823 159 I N 2.116 122.673 120.570 -0.022 0.000 2.377 159 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 159 I C 1.104 177.196 176.117 -0.041 0.000 0.987 159 I CA -0.458 60.825 61.300 -0.030 0.000 1.185 159 I CB 1.918 39.900 38.000 -0.030 0.000 1.341 159 I HN 0.316 nan 8.210 nan 0.000 0.455 160 G N 4.443 113.219 108.800 -0.040 0.000 2.441 160 G HA2 0.536 4.496 3.960 -0.000 0.000 0.334 160 G HA3 0.536 4.496 3.960 -0.000 0.000 0.334 160 G C -0.594 174.275 174.900 -0.052 0.000 1.161 160 G CA -0.822 44.247 45.100 -0.051 0.000 0.935 160 G HN 0.519 nan 8.290 nan 0.000 0.488 161 R N -0.121 120.338 120.500 -0.069 0.000 2.370 161 R HA 0.411 4.751 4.340 -0.000 0.000 0.309 161 R C 1.228 177.529 176.300 0.002 0.000 1.059 161 R CA 1.416 57.485 56.100 -0.051 0.000 0.981 161 R CB 0.695 30.926 30.300 -0.114 0.000 0.972 161 R HN 1.057 nan 8.270 nan 0.000 0.437 162 G N 1.922 110.732 108.800 0.016 0.000 2.259 162 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 162 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 162 G C 0.173 175.076 174.900 0.005 0.000 1.001 162 G CA -0.094 45.019 45.100 0.022 0.000 0.627 162 G HN 0.575 nan 8.290 nan 0.000 0.501 163 Q N 0.420 120.216 119.800 -0.006 0.000 2.368 163 Q HA 0.635 4.975 4.340 -0.000 0.000 0.237 163 Q C -0.187 175.806 176.000 -0.012 0.000 0.987 163 Q CA -0.300 55.496 55.803 -0.011 0.000 0.896 163 Q CB 0.385 29.112 28.738 -0.019 0.000 1.241 163 Q HN 0.316 nan 8.270 nan 0.000 0.485 164 R N 2.139 122.631 120.500 -0.013 0.000 2.310 164 R HA 0.297 4.637 4.340 -0.000 0.000 0.324 164 R C -1.434 174.848 176.300 -0.029 0.000 0.955 164 R CA -0.477 55.614 56.100 -0.015 0.000 0.830 164 R CB 1.541 31.836 30.300 -0.009 0.000 1.154 164 R HN 0.484 nan 8.270 nan 0.000 0.458 165 E N 3.004 123.182 120.200 -0.038 0.000 2.220 165 E HA 0.254 4.604 4.350 -0.000 0.000 0.256 165 E C -1.384 175.176 176.600 -0.067 0.000 0.881 165 E CA -0.915 55.453 56.400 -0.054 0.000 0.766 165 E CB 0.883 30.554 29.700 -0.048 0.000 1.187 165 E HN 0.378 nan 8.360 nan 0.000 0.419 166 L N 5.119 126.286 121.223 -0.092 0.000 2.426 166 L HA 0.341 4.681 4.340 -0.000 0.000 0.271 166 L C -0.948 175.855 176.870 -0.112 0.000 1.169 166 L CA 0.048 54.825 54.840 -0.104 0.000 0.836 166 L CB 0.445 42.425 42.059 -0.132 0.000 1.112 166 L HN 0.548 nan 8.230 nan 0.000 0.465 167 I N 7.215 127.738 120.570 -0.078 0.000 2.328 167 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 167 I C -0.124 175.966 176.117 -0.045 0.000 1.012 167 I CA -0.140 61.128 61.300 -0.054 0.000 1.195 167 I CB 0.659 38.648 38.000 -0.018 0.000 1.350 167 I HN 0.619 nan 8.210 nan 0.000 0.464 168 I N 4.762 125.306 120.570 -0.043 0.000 2.647 168 I HA 0.867 5.037 4.170 -0.000 0.000 0.295 168 I C -0.285 175.881 176.117 0.081 0.000 1.078 168 I CA 0.033 61.337 61.300 0.007 0.000 1.048 168 I CB 2.258 40.244 38.000 -0.023 0.000 1.239 168 I HN 0.680 nan 8.210 nan 0.000 0.421 169 G N 4.871 113.719 108.800 0.080 0.000 2.321 169 G HA2 0.140 4.100 3.960 -0.000 0.000 0.298 169 G HA3 0.140 4.100 3.960 -0.000 0.000 0.298 169 G C -1.937 172.993 174.900 0.050 0.000 1.385 169 G CA -0.844 44.309 45.100 0.089 0.000 0.856 169 G HN 0.508 nan 8.290 nan 0.000 0.584 170 D N 0.006 120.425 120.400 0.032 0.000 2.354 170 D HA 0.243 4.883 4.640 -0.000 0.000 0.238 170 D C 1.149 177.447 176.300 -0.004 0.000 1.250 170 D CA 0.023 54.030 54.000 0.012 0.000 0.911 170 D CB 0.527 41.322 40.800 -0.008 0.000 1.163 170 D HN 0.516 nan 8.370 nan 0.000 0.456 171 R N 0.790 121.288 120.500 -0.003 0.000 2.585 171 R HA -0.100 4.240 4.340 -0.000 0.000 0.275 171 R C 0.067 176.336 176.300 -0.051 0.000 1.018 171 R CA 0.415 56.508 56.100 -0.012 0.000 1.072 171 R CB 0.127 30.429 30.300 0.004 0.000 0.953 171 R HN 0.349 nan 8.270 nan 0.000 0.419 172 Q N 0.567 120.320 119.800 -0.078 0.000 2.502 172 Q HA -0.154 4.186 4.340 -0.000 0.000 0.273 172 Q C 0.452 176.246 176.000 -0.343 0.000 1.127 172 Q CA 1.568 57.266 55.803 -0.175 0.000 0.952 172 Q CB -1.919 26.728 28.738 -0.151 0.000 1.333 172 Q HN 0.950 nan 8.270 nan 0.000 0.494 173 T N -4.763 109.662 114.554 -0.215 0.000 3.040 173 T HA 0.427 4.777 4.350 -0.000 0.000 0.250 173 T C 1.217 175.900 174.700 -0.029 0.000 1.058 173 T CA 0.881 62.876 62.100 -0.176 0.000 0.988 173 T CB 0.996 69.857 68.868 -0.011 0.000 0.993 173 T HN 0.865 nan 8.240 nan 0.000 0.519 174 G N 1.651 110.433 108.800 -0.029 0.000 2.135 174 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.183 174 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.183 174 G C 0.715 175.659 174.900 0.073 0.000 1.004 174 G CA 0.177 45.330 45.100 0.088 0.000 0.677 174 G HN 0.466 nan 8.290 nan 0.000 0.512 175 K N -0.298 120.132 120.400 0.049 0.000 1.985 175 K HA -0.066 4.254 4.320 -0.000 0.000 0.210 175 K C 2.572 179.209 176.600 0.063 0.000 1.047 175 K CA 1.881 58.198 56.287 0.050 0.000 0.932 175 K CB -0.388 32.135 32.500 0.038 0.000 0.716 175 K HN 0.306 nan 8.250 nan 0.000 0.439 176 T N 1.253 115.853 114.554 0.076 0.000 2.720 176 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 176 T C 2.126 176.880 174.700 0.089 0.000 1.037 176 T CA 1.634 63.801 62.100 0.112 0.000 1.144 176 T CB -0.229 68.713 68.868 0.124 0.000 0.864 176 T HN 0.161 nan 8.240 nan 0.000 0.444 177 S N 1.104 116.842 115.700 0.063 0.000 2.383 177 S HA -0.039 4.431 4.470 -0.000 0.000 0.229 177 S C 2.015 176.629 174.600 0.023 0.000 1.030 177 S CA 0.908 59.127 58.200 0.031 0.000 1.002 177 S CB -0.453 62.754 63.200 0.011 0.000 0.829 177 S HN 0.410 nan 8.310 nan 0.000 0.467 178 I N 1.568 122.161 120.570 0.039 0.000 2.208 178 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 178 I C 2.611 178.753 176.117 0.043 0.000 1.097 178 I CA 1.158 62.478 61.300 0.033 0.000 1.363 178 I CB -0.411 37.611 38.000 0.036 0.000 1.051 178 I HN 0.278 nan 8.210 nan 0.000 0.413 179 A N 0.927 123.786 122.820 0.065 0.000 1.877 179 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 179 A C 2.209 179.844 177.584 0.084 0.000 1.186 179 A CA 1.392 53.482 52.037 0.089 0.000 0.620 179 A CB -0.619 18.474 19.000 0.155 0.000 0.822 179 A HN 0.299 nan 8.150 nan 0.000 0.443 180 I N 0.542 121.153 120.570 0.068 0.000 2.226 180 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 180 I C 1.761 177.922 176.117 0.072 0.000 1.100 180 I CA 1.681 63.008 61.300 0.046 0.000 1.374 180 I CB -1.656 36.377 38.000 0.055 0.000 1.057 180 I HN 0.253 nan 8.210 nan 0.000 0.413 181 D N 0.515 120.949 120.400 0.056 0.000 2.144 181 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 181 D C 2.218 178.554 176.300 0.060 0.000 0.978 181 D CA 1.268 55.299 54.000 0.052 0.000 0.833 181 D CB -0.074 40.728 40.800 0.003 0.000 0.961 181 D HN 0.228 nan 8.370 nan 0.000 0.470 182 T N 0.481 115.070 114.554 0.057 0.000 2.708 182 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 182 T C 2.141 176.893 174.700 0.087 0.000 1.037 182 T CA 0.652 62.789 62.100 0.062 0.000 1.146 182 T CB -0.187 68.710 68.868 0.048 0.000 0.865 182 T HN 0.161 nan 8.240 nan 0.000 0.435 183 I N 0.535 121.164 120.570 0.099 0.000 2.179 183 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 183 I C 2.237 178.471 176.117 0.194 0.000 1.088 183 I CA 1.348 62.736 61.300 0.147 0.000 1.357 183 I CB -0.413 37.650 38.000 0.105 0.000 1.051 183 I HN 0.213 nan 8.210 nan 0.000 0.409 184 I N 0.794 121.441 120.570 0.129 0.000 2.286 184 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 184 I C 2.277 178.462 176.117 0.114 0.000 1.115 184 I CA 1.354 62.731 61.300 0.128 0.000 1.392 184 I CB -0.553 37.508 38.000 0.102 0.000 1.065 184 I HN 0.306 nan 8.210 nan 0.000 0.418 185 N N 0.715 119.463 118.700 0.079 0.000 2.205 185 N HA -0.220 4.520 4.740 -0.000 0.000 0.186 185 N C 1.788 177.288 175.510 -0.017 0.000 1.015 185 N CA 1.275 54.343 53.050 0.029 0.000 0.862 185 N CB -0.007 38.518 38.487 0.064 0.000 0.986 185 N HN 0.244 nan 8.380 nan 0.000 0.429 186 Q N 0.332 120.157 119.800 0.042 0.000 2.364 186 Q HA -0.084 4.256 4.340 -0.000 0.000 0.207 186 Q C 1.684 177.519 176.000 -0.275 0.000 0.970 186 Q CA 0.579 56.372 55.803 -0.017 0.000 0.888 186 Q CB -0.235 28.415 28.738 -0.147 0.000 0.951 186 Q HN 0.525 nan 8.270 nan 0.000 0.469 187 K N 1.494 121.784 120.400 -0.183 0.000 2.113 187 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 187 K C 2.061 178.512 176.600 -0.249 0.000 1.047 187 K CA 1.374 57.572 56.287 -0.148 0.000 0.928 187 K CB 0.032 32.570 32.500 0.063 0.000 0.716 187 K HN 0.206 nan 8.250 nan 0.000 0.446 188 R N -0.040 120.221 120.500 -0.398 0.000 2.091 188 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 188 R C 1.995 178.011 176.300 -0.473 0.000 1.136 188 R CA 1.854 57.659 56.100 -0.491 0.000 0.959 188 R CB -0.987 28.908 30.300 -0.675 0.000 0.856 188 R HN 0.225 nan 8.270 nan 0.000 0.437 189 F N 1.828 121.681 119.950 -0.162 0.000 2.187 189 F HA 0.040 4.567 4.527 -0.000 0.000 0.295 189 F C 2.179 177.856 175.800 -0.206 0.000 1.091 189 F CA 0.616 58.512 58.000 -0.173 0.000 1.308 189 F CB -0.449 38.432 39.000 -0.199 0.000 1.030 189 F HN 0.000 nan 8.300 nan 0.000 0.487 190 N N 0.070 118.679 118.700 -0.151 0.000 2.309 190 N HA -0.130 4.610 4.740 -0.000 0.000 0.182 190 N C 0.777 176.217 175.510 -0.117 0.000 1.018 190 N CA 1.155 54.058 53.050 -0.245 0.000 0.876 190 N CB -0.458 37.689 38.487 -0.566 0.000 0.972 190 N HN 0.241 nan 8.380 nan 0.000 0.434 191 D N -0.416 119.928 120.400 -0.094 0.000 2.328 191 D HA 0.145 4.785 4.640 -0.000 0.000 0.221 191 D C 0.996 177.273 176.300 -0.037 0.000 1.072 191 D CA 0.106 54.080 54.000 -0.044 0.000 0.850 191 D CB 0.043 40.819 40.800 -0.041 0.000 0.922 191 D HN 0.132 nan 8.370 nan 0.000 0.516 192 G N -0.812 107.967 108.800 -0.035 0.000 2.557 192 G HA2 0.308 4.268 3.960 -0.000 0.000 0.302 192 G HA3 0.308 4.268 3.960 -0.000 0.000 0.302 192 G C 1.000 175.902 174.900 0.005 0.000 1.311 192 G CA -0.204 44.887 45.100 -0.014 0.000 1.030 192 G HN -0.049 nan 8.290 nan 0.000 0.509 193 T N -0.169 114.392 114.554 0.011 0.000 2.706 193 T HA -0.042 4.308 4.350 -0.000 0.000 0.255 193 T C 0.985 175.699 174.700 0.024 0.000 1.048 193 T CA 1.055 63.164 62.100 0.016 0.000 1.153 193 T CB -0.319 68.556 68.868 0.012 0.000 0.865 193 T HN 0.479 nan 8.240 nan 0.000 0.414 194 D N 2.382 122.797 120.400 0.026 0.000 2.422 194 D HA -0.040 4.600 4.640 -0.000 0.000 0.283 194 D C 1.143 177.460 176.300 0.029 0.000 1.428 194 D CA -0.009 54.006 54.000 0.026 0.000 1.117 194 D CB 0.156 40.970 40.800 0.023 0.000 1.120 194 D HN 0.175 nan 8.370 nan 0.000 0.543 195 E N 2.886 123.110 120.200 0.040 0.000 2.209 195 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 195 E C 1.342 177.986 176.600 0.073 0.000 0.993 195 E CA 0.810 57.247 56.400 0.060 0.000 0.819 195 E CB 0.035 29.782 29.700 0.078 0.000 0.745 195 E HN 0.593 nan 8.360 nan 0.000 0.477 196 K N 0.441 120.875 120.400 0.057 0.000 2.432 196 K HA 0.013 4.333 4.320 -0.000 0.000 0.196 196 K C 1.760 178.355 176.600 -0.007 0.000 1.038 196 K CA 0.379 56.717 56.287 0.084 0.000 0.986 196 K CB 0.191 32.728 32.500 0.062 0.000 0.782 196 K HN -0.042 nan 8.250 nan 0.000 0.485 197 K N 0.899 121.259 120.400 -0.067 0.000 2.393 197 K HA 0.058 4.378 4.320 -0.000 0.000 0.193 197 K C 0.147 176.606 176.600 -0.234 0.000 1.026 197 K CA 0.173 56.332 56.287 -0.212 0.000 1.064 197 K CB 0.395 32.795 32.500 -0.166 0.000 0.833 197 K HN 0.076 nan 8.250 nan 0.000 0.521 198 K N 1.077 121.413 120.400 -0.107 0.000 2.276 198 K HA 0.113 4.433 4.320 -0.000 0.000 0.259 198 K C -0.475 175.974 176.600 -0.252 0.000 1.001 198 K CA -0.092 56.080 56.287 -0.191 0.000 0.927 198 K CB 0.499 32.878 32.500 -0.201 0.000 0.969 198 K HN -0.164 nan 8.250 nan 0.000 0.490 199 L N 2.915 123.881 121.223 -0.429 0.000 2.541 199 L HA 0.279 4.619 4.340 -0.000 0.000 0.266 199 L C -1.778 174.823 176.870 -0.448 0.000 0.966 199 L CA -0.329 54.320 54.840 -0.318 0.000 0.871 199 L CB 0.897 42.826 42.059 -0.217 0.000 1.232 199 L HN 0.446 nan 8.230 nan 0.000 0.408 200 Y N 3.100 123.265 120.300 -0.224 0.000 2.308 200 Y HA 0.545 5.095 4.550 -0.000 0.000 0.329 200 Y C 0.420 176.210 175.900 -0.183 0.000 1.111 200 Y CA -0.157 57.776 58.100 -0.279 0.000 1.179 200 Y CB 1.223 39.199 38.460 -0.807 0.000 1.201 200 Y HN 0.502 nan 8.280 nan 0.000 0.483 201 C N 4.463 123.834 119.300 0.119 0.000 2.411 201 C HA 0.727 5.187 4.460 -0.000 0.000 0.330 201 C C -0.172 174.863 174.990 0.076 0.000 1.224 201 C CA -1.126 57.949 59.018 0.095 0.000 1.770 201 C CB 0.138 27.977 27.740 0.165 0.000 2.297 201 C HN 0.642 nan 8.230 nan 0.000 0.507 202 I N 2.182 122.775 120.570 0.039 0.000 2.499 202 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 202 I C -1.075 175.055 176.117 0.023 0.000 1.048 202 I CA -0.434 60.887 61.300 0.033 0.000 1.062 202 I CB 1.231 39.233 38.000 0.004 0.000 1.238 202 I HN 0.630 nan 8.210 nan 0.000 0.426 203 Y N 6.955 127.223 120.300 -0.053 0.000 2.345 203 Y HA 0.625 5.175 4.550 -0.000 0.000 0.331 203 Y C -0.960 174.914 175.900 -0.044 0.000 0.959 203 Y CA -0.805 57.258 58.100 -0.061 0.000 1.204 203 Y CB 1.243 39.682 38.460 -0.034 0.000 1.135 203 Y HN 0.270 nan 8.280 nan 0.000 0.477 204 V N 6.445 126.070 119.914 -0.481 0.000 2.364 204 V HA 0.592 4.712 4.120 -0.000 0.000 0.272 204 V C 0.161 176.011 176.094 -0.406 0.000 1.036 204 V CA -0.631 61.501 62.300 -0.281 0.000 0.880 204 V CB 0.708 32.464 31.823 -0.112 0.000 0.991 204 V HN 0.921 nan 8.190 nan 0.000 0.460 205 A N 7.048 129.770 122.820 -0.163 0.000 2.269 205 A HA 0.799 5.119 4.320 -0.000 0.000 0.302 205 A C -0.461 177.118 177.584 -0.009 0.000 1.266 205 A CA -0.222 51.792 52.037 -0.039 0.000 0.894 205 A CB -0.133 18.970 19.000 0.172 0.000 1.147 205 A HN 0.793 nan 8.150 nan 0.000 0.537 206 I N 2.271 122.833 120.570 -0.013 0.000 2.411 206 I HA 0.524 4.694 4.170 -0.000 0.000 0.284 206 I C 1.101 177.243 176.117 0.042 0.000 1.012 206 I CA 0.238 61.547 61.300 0.016 0.000 1.119 206 I CB 1.744 39.745 38.000 0.001 0.000 1.261 206 I HN 0.946 nan 8.210 nan 0.000 0.448 207 G N 3.672 112.506 108.800 0.057 0.000 2.162 207 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 207 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 207 G C 0.264 175.200 174.900 0.060 0.000 0.976 207 G CA -0.150 44.988 45.100 0.063 0.000 0.655 207 G HN 0.591 nan 8.290 nan 0.000 0.533 208 Q N -0.235 119.603 119.800 0.063 0.000 2.396 208 Q HA 0.513 4.853 4.340 -0.000 0.000 0.221 208 Q C 0.440 176.477 176.000 0.061 0.000 1.025 208 Q CA -0.254 55.590 55.803 0.068 0.000 0.946 208 Q CB 0.773 29.567 28.738 0.092 0.000 1.224 208 Q HN 0.319 nan 8.270 nan 0.000 0.539 209 K N 0.857 121.290 120.400 0.055 0.000 2.237 209 K HA 0.078 4.398 4.320 -0.000 0.000 0.270 209 K C 1.164 177.791 176.600 0.046 0.000 1.015 209 K CA -0.317 55.997 56.287 0.046 0.000 0.949 209 K CB 0.689 33.212 32.500 0.039 0.000 0.976 209 K HN 0.390 nan 8.250 nan 0.000 0.472 210 R N 0.809 121.332 120.500 0.039 0.000 2.080 210 R HA -0.164 4.176 4.340 -0.000 0.000 0.236 210 R C 2.119 178.436 176.300 0.028 0.000 1.137 210 R CA 2.290 58.411 56.100 0.035 0.000 0.943 210 R CB -0.758 29.559 30.300 0.028 0.000 0.846 210 R HN 0.840 nan 8.270 nan 0.000 0.431 211 S N -0.120 115.594 115.700 0.023 0.000 2.400 211 S HA -0.134 4.336 4.470 -0.000 0.000 0.232 211 S C 1.983 176.592 174.600 0.015 0.000 1.025 211 S CA 1.889 60.098 58.200 0.016 0.000 0.993 211 S CB -0.615 62.594 63.200 0.015 0.000 0.808 211 S HN 0.277 nan 8.310 nan 0.000 0.478 212 T N 2.246 116.815 114.554 0.025 0.000 2.777 212 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 212 T C 1.948 176.660 174.700 0.019 0.000 1.040 212 T CA 1.270 63.386 62.100 0.026 0.000 1.141 212 T CB -0.586 68.308 68.868 0.044 0.000 0.868 212 T HN 0.304 nan 8.240 nan 0.000 0.444 213 V N 1.904 121.840 119.914 0.035 0.000 2.343 213 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 213 V C 2.940 179.030 176.094 -0.006 0.000 1.051 213 V CA 1.631 63.950 62.300 0.032 0.000 1.036 213 V CB -1.245 30.617 31.823 0.066 0.000 0.654 213 V HN 0.532 nan 8.190 nan 0.000 0.451 214 A N -0.223 122.597 122.820 -0.001 0.000 1.933 214 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 214 A C 2.286 179.851 177.584 -0.031 0.000 1.175 214 A CA 2.050 54.078 52.037 -0.014 0.000 0.628 214 A CB -0.514 18.482 19.000 -0.006 0.000 0.814 214 A HN 0.671 nan 8.150 nan 0.000 0.444 215 Q N -0.549 119.234 119.800 -0.028 0.000 2.119 215 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 215 Q C 1.995 177.955 176.000 -0.067 0.000 0.972 215 Q CA 1.415 57.194 55.803 -0.040 0.000 0.847 215 Q CB -0.249 28.476 28.738 -0.021 0.000 0.903 215 Q HN 0.637 nan 8.270 nan 0.000 0.433 216 L N 0.197 121.373 121.223 -0.079 0.000 2.056 216 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 216 L C 2.233 179.017 176.870 -0.143 0.000 1.078 216 L CA 0.830 55.590 54.840 -0.134 0.000 0.749 216 L CB -0.091 41.845 42.059 -0.205 0.000 0.901 216 L HN 0.157 nan 8.230 nan 0.000 0.433 217 V N -0.041 119.807 119.914 -0.111 0.000 2.515 217 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 217 V C 2.594 178.631 176.094 -0.095 0.000 1.058 217 V CA 1.655 63.896 62.300 -0.098 0.000 1.064 217 V CB -0.659 31.127 31.823 -0.063 0.000 0.675 217 V HN 0.426 nan 8.190 nan 0.000 0.461 218 K N 0.710 121.058 120.400 -0.086 0.000 2.025 218 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 218 K C 2.354 178.886 176.600 -0.113 0.000 1.049 218 K CA 1.652 57.887 56.287 -0.086 0.000 0.933 218 K CB -0.160 32.297 32.500 -0.071 0.000 0.714 218 K HN 0.317 nan 8.250 nan 0.000 0.438 219 R N 1.272 121.690 120.500 -0.137 0.000 2.083 219 R HA -0.073 4.267 4.340 -0.000 0.000 0.237 219 R C 2.345 178.547 176.300 -0.163 0.000 1.137 219 R CA 1.513 57.500 56.100 -0.187 0.000 0.951 219 R CB -0.735 29.442 30.300 -0.206 0.000 0.851 219 R HN 0.241 nan 8.270 nan 0.000 0.434 220 L N -0.463 120.673 121.223 -0.145 0.000 2.056 220 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 220 L C 2.257 179.043 176.870 -0.141 0.000 1.078 220 L CA 1.869 56.622 54.840 -0.146 0.000 0.749 220 L CB -0.704 41.256 42.059 -0.166 0.000 0.901 220 L HN 0.308 nan 8.230 nan 0.000 0.433 221 T N -0.758 113.722 114.554 -0.123 0.000 2.708 221 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 221 T C 1.412 176.057 174.700 -0.091 0.000 1.037 221 T CA 1.605 63.644 62.100 -0.102 0.000 1.146 221 T CB -0.280 68.539 68.868 -0.081 0.000 0.865 221 T HN 0.325 nan 8.240 nan 0.000 0.435 222 D N 1.513 121.854 120.400 -0.097 0.000 2.218 222 D HA 0.012 4.652 4.640 -0.000 0.000 0.204 222 D C 2.010 178.260 176.300 -0.083 0.000 0.976 222 D CA 0.958 54.905 54.000 -0.089 0.000 0.853 222 D CB -0.326 40.410 40.800 -0.107 0.000 0.939 222 D HN 0.454 nan 8.370 nan 0.000 0.481 223 A N 0.242 123.007 122.820 -0.092 0.000 2.251 223 A HA 0.013 4.333 4.320 -0.000 0.000 0.209 223 A C 0.559 178.114 177.584 -0.047 0.000 1.187 223 A CA 0.560 52.560 52.037 -0.062 0.000 0.823 223 A CB 0.014 18.983 19.000 -0.051 0.000 0.846 223 A HN 0.051 nan 8.150 nan 0.000 0.486 224 D N -3.050 117.307 120.400 -0.071 0.000 2.800 224 D HA -0.196 4.444 4.640 -0.000 0.000 0.232 224 D C 0.726 176.961 176.300 -0.109 0.000 1.137 224 D CA 1.059 55.020 54.000 -0.066 0.000 0.718 224 D CB -1.287 39.502 40.800 -0.019 0.000 1.084 224 D HN 0.505 nan 8.370 nan 0.000 0.432 225 A N -0.746 121.934 122.820 -0.234 0.000 2.197 225 A HA 0.145 4.465 4.320 -0.000 0.000 0.210 225 A C 2.080 179.148 177.584 -0.860 0.000 1.180 225 A CA 0.433 52.096 52.037 -0.623 0.000 0.846 225 A CB -0.024 18.792 19.000 -0.306 0.000 0.884 225 A HN 0.292 nan 8.150 nan 0.000 0.487 226 M N 1.179 120.533 119.600 -0.410 0.000 2.202 226 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 226 M C 2.112 178.251 176.300 -0.269 0.000 1.063 226 M CA 1.858 56.980 55.300 -0.297 0.000 1.097 226 M CB -0.835 31.669 32.600 -0.161 0.000 1.382 226 M HN 0.702 nan 8.290 nan 0.000 0.413 227 K N 0.394 120.649 120.400 -0.240 0.000 2.360 227 K HA -0.180 4.140 4.320 -0.000 0.000 0.201 227 K C 0.701 177.332 176.600 0.051 0.000 1.046 227 K CA 1.406 57.661 56.287 -0.054 0.000 0.945 227 K CB -0.541 31.975 32.500 0.026 0.000 0.750 227 K HN 0.515 nan 8.250 nan 0.000 0.464 228 Y N -0.369 119.967 120.300 0.060 0.000 2.720 228 Y HA 0.483 5.033 4.550 -0.000 0.000 0.268 228 Y C -0.558 175.395 175.900 0.089 0.000 1.142 228 Y CA -1.100 57.063 58.100 0.105 0.000 1.193 228 Y CB 0.097 38.558 38.460 0.001 0.000 1.176 228 Y HN -0.221 nan 8.280 nan 0.000 0.542 229 T N 2.464 117.003 114.554 -0.025 0.000 2.876 229 T HA 0.603 4.953 4.350 -0.000 0.000 0.289 229 T C -0.548 174.179 174.700 0.046 0.000 1.014 229 T CA -0.496 61.612 62.100 0.013 0.000 0.986 229 T CB 1.872 70.680 68.868 -0.100 0.000 1.021 229 T HN 0.171 nan 8.240 nan 0.000 0.458 230 I N 2.266 122.883 120.570 0.079 0.000 2.377 230 I HA 0.493 4.663 4.170 -0.000 0.000 0.293 230 I C -0.576 175.587 176.117 0.077 0.000 0.987 230 I CA -1.070 60.276 61.300 0.077 0.000 1.185 230 I CB 1.755 39.814 38.000 0.099 0.000 1.341 230 I HN 0.216 nan 8.210 nan 0.000 0.455 231 V N 7.164 127.120 119.914 0.069 0.000 2.357 231 V HA 0.302 4.422 4.120 -0.000 0.000 0.284 231 V C -0.032 176.108 176.094 0.078 0.000 1.018 231 V CA -0.635 61.727 62.300 0.103 0.000 0.841 231 V CB 1.762 33.643 31.823 0.097 0.000 0.991 231 V HN 0.405 nan 8.190 nan 0.000 0.437 232 V N 4.057 124.013 119.914 0.070 0.000 2.370 232 V HA 0.521 4.641 4.120 -0.000 0.000 0.279 232 V C 0.237 176.358 176.094 0.044 0.000 1.029 232 V CA -0.090 62.233 62.300 0.038 0.000 0.870 232 V CB 1.634 33.465 31.823 0.012 0.000 0.984 232 V HN 0.812 nan 8.190 nan 0.000 0.451 233 S N 3.545 119.271 115.700 0.044 0.000 2.561 233 S HA 0.792 5.262 4.470 -0.000 0.000 0.303 233 S C -0.254 174.371 174.600 0.043 0.000 1.110 233 S CA -0.188 58.044 58.200 0.053 0.000 1.034 233 S CB 1.310 64.549 63.200 0.065 0.000 1.010 233 S HN 1.056 nan 8.310 nan 0.000 0.482 234 A N 3.963 126.810 122.820 0.045 0.000 2.763 234 A HA 0.574 4.894 4.320 -0.000 0.000 0.325 234 A C 0.357 177.977 177.584 0.059 0.000 1.209 234 A CA -0.657 51.412 52.037 0.054 0.000 0.764 234 A CB -0.030 19.004 19.000 0.058 0.000 1.120 234 A HN 0.783 nan 8.150 nan 0.000 0.463 235 T N -1.271 113.318 114.554 0.059 0.000 2.771 235 T HA 0.533 4.883 4.350 -0.000 0.000 0.290 235 T C 1.608 176.343 174.700 0.058 0.000 1.005 235 T CA 0.121 62.256 62.100 0.058 0.000 0.944 235 T CB 0.810 69.710 68.868 0.054 0.000 1.147 235 T HN 1.087 nan 8.240 nan 0.000 0.534 236 A N 0.578 123.430 122.820 0.054 0.000 2.024 236 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 236 A C 2.405 180.018 177.584 0.048 0.000 1.164 236 A CA 1.838 53.906 52.037 0.052 0.000 0.643 236 A CB -1.269 17.759 19.000 0.046 0.000 0.806 236 A HN 1.066 nan 8.150 nan 0.000 0.451 237 S N -0.909 114.818 115.700 0.044 0.000 2.556 237 S HA 0.105 4.574 4.470 -0.000 0.000 0.216 237 S C -0.017 174.610 174.600 0.046 0.000 0.970 237 S CA -0.362 57.862 58.200 0.040 0.000 0.912 237 S CB -0.119 63.101 63.200 0.033 0.000 0.790 237 S HN 0.377 nan 8.310 nan 0.000 0.504 238 D N 2.847 123.281 120.400 0.056 0.000 2.372 238 D HA 0.500 5.140 4.640 -0.000 0.000 0.243 238 D C 0.424 176.770 176.300 0.077 0.000 1.121 238 D CA 0.209 54.249 54.000 0.067 0.000 0.898 238 D CB 1.352 42.197 40.800 0.075 0.000 1.202 238 D HN 0.441 nan 8.370 nan 0.000 0.428 239 A N 1.579 124.449 122.820 0.082 0.000 2.520 239 A HA 0.298 4.618 4.320 -0.000 0.000 0.235 239 A C 1.441 179.097 177.584 0.119 0.000 1.065 239 A CA 0.480 52.568 52.037 0.084 0.000 0.764 239 A CB 0.229 19.277 19.000 0.079 0.000 1.002 239 A HN 0.641 nan 8.150 nan 0.000 0.502 240 A N 3.150 126.033 122.820 0.105 0.000 1.927 240 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 240 A C -0.114 177.606 177.584 0.226 0.000 1.185 240 A CA 2.225 54.345 52.037 0.138 0.000 0.639 240 A CB -1.765 17.289 19.000 0.090 0.000 0.820 240 A HN 0.655 nan 8.150 nan 0.000 0.451 241 P HA -0.114 nan 4.420 nan 0.000 0.218 241 P C 1.343 178.983 177.300 0.566 0.000 1.148 241 P CA 0.853 64.205 63.100 0.420 0.000 0.822 241 P CB -0.147 31.717 31.700 0.273 0.000 0.784 242 L N -1.063 120.390 121.223 0.383 0.000 2.109 242 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 242 L C 2.635 179.616 176.870 0.184 0.000 1.086 242 L CA 1.400 56.390 54.840 0.251 0.000 0.760 242 L CB -0.894 41.268 42.059 0.172 0.000 0.910 242 L HN -0.014 nan 8.230 nan 0.000 0.437 243 Q N -1.047 118.874 119.800 0.203 0.000 2.119 243 Q HA -0.234 4.106 4.340 -0.000 0.000 0.201 243 Q C 2.115 178.231 176.000 0.194 0.000 0.972 243 Q CA 1.744 57.643 55.803 0.160 0.000 0.847 243 Q CB -0.242 28.590 28.738 0.156 0.000 0.903 243 Q HN 0.520 nan 8.270 nan 0.000 0.433 244 Y N 1.123 121.524 120.300 0.169 0.000 2.145 244 Y HA -0.251 4.299 4.550 -0.000 0.000 0.286 244 Y C 1.959 178.001 175.900 0.237 0.000 1.145 244 Y CA 1.241 59.470 58.100 0.215 0.000 1.148 244 Y CB -0.321 38.320 38.460 0.302 0.000 0.981 244 Y HN 0.090 nan 8.280 nan 0.000 0.507 245 L N 1.074 122.309 121.223 0.021 0.000 2.093 245 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 245 L C 2.547 179.369 176.870 -0.080 0.000 1.085 245 L CA 1.913 56.689 54.840 -0.107 0.000 0.755 245 L CB -1.431 40.556 42.059 -0.120 0.000 0.904 245 L HN 0.340 nan 8.230 nan 0.000 0.435 246 A N 0.588 123.372 122.820 -0.061 0.000 1.915 246 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 246 A C 0.016 177.539 177.584 -0.101 0.000 1.198 246 A CA 2.383 54.381 52.037 -0.064 0.000 0.647 246 A CB -2.304 16.681 19.000 -0.026 0.000 0.825 246 A HN 0.488 nan 8.150 nan 0.000 0.456 247 P HA -0.163 nan 4.420 nan 0.000 0.215 247 P C 1.057 178.145 177.300 -0.353 0.000 1.157 247 P CA 1.474 64.397 63.100 -0.297 0.000 0.868 247 P CB -0.357 30.916 31.700 -0.711 0.000 0.788 248 Y N 0.195 120.386 120.300 -0.181 0.000 2.224 248 Y HA -0.139 4.411 4.550 -0.000 0.000 0.289 248 Y C 2.766 178.616 175.900 -0.084 0.000 1.146 248 Y CA 1.443 59.449 58.100 -0.158 0.000 1.182 248 Y CB -1.308 37.010 38.460 -0.238 0.000 0.983 248 Y HN -0.059 nan 8.280 nan 0.000 0.524 249 S N -0.126 115.586 115.700 0.020 0.000 2.348 249 S HA -0.169 4.301 4.470 -0.000 0.000 0.221 249 S C 2.432 177.045 174.600 0.023 0.000 1.033 249 S CA 1.245 59.447 58.200 0.002 0.000 1.010 249 S CB -1.037 62.141 63.200 -0.038 0.000 0.891 249 S HN 0.661 nan 8.310 nan 0.000 0.442 250 G N 0.145 108.961 108.800 0.026 0.000 2.418 250 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 250 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 250 G C 1.744 176.688 174.900 0.072 0.000 1.158 250 G CA 1.090 46.216 45.100 0.043 0.000 0.771 250 G HN 0.582 nan 8.290 nan 0.000 0.545 251 C N 0.816 120.180 119.300 0.106 0.000 2.413 251 C HA -0.073 4.387 4.460 -0.000 0.000 0.276 251 C C 3.317 178.368 174.990 0.101 0.000 1.236 251 C CA 1.892 60.984 59.018 0.123 0.000 1.735 251 C CB -0.982 26.836 27.740 0.129 0.000 2.031 251 C HN 0.385 nan 8.230 nan 0.000 0.474 252 S N 0.618 116.368 115.700 0.083 0.000 2.382 252 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 252 S C 1.678 176.332 174.600 0.090 0.000 1.027 252 S CA 1.989 60.233 58.200 0.073 0.000 0.991 252 S CB -0.426 62.802 63.200 0.047 0.000 0.823 252 S HN 0.673 nan 8.310 nan 0.000 0.469 253 M N 1.096 120.749 119.600 0.089 0.000 2.279 253 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 253 M C 2.350 178.806 176.300 0.261 0.000 1.062 253 M CA 1.397 56.770 55.300 0.123 0.000 1.099 253 M CB -0.630 32.035 32.600 0.108 0.000 1.394 253 M HN 0.455 nan 8.290 nan 0.000 0.426 254 G N -0.373 108.567 108.800 0.234 0.000 2.453 254 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.215 254 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.215 254 G C 1.349 176.416 174.900 0.278 0.000 1.147 254 G CA 0.149 45.434 45.100 0.308 0.000 0.802 254 G HN 0.434 nan 8.290 nan 0.000 0.535 255 E N -0.442 119.859 120.200 0.169 0.000 2.153 255 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 255 E C 1.915 178.549 176.600 0.056 0.000 0.988 255 E CA 0.762 57.222 56.400 0.101 0.000 0.811 255 E CB -0.228 29.517 29.700 0.075 0.000 0.746 255 E HN 0.593 nan 8.360 nan 0.000 0.466 256 Y N 0.405 120.673 120.300 -0.052 0.000 2.151 256 Y HA -0.291 4.259 4.550 -0.000 0.000 0.284 256 Y C 1.641 177.370 175.900 -0.285 0.000 1.166 256 Y CA 1.732 59.704 58.100 -0.213 0.000 1.163 256 Y CB -0.367 37.880 38.460 -0.355 0.000 0.974 256 Y HN -0.042 nan 8.280 nan 0.000 0.511 257 F N -0.113 119.717 119.950 -0.199 0.000 2.187 257 F HA -0.013 4.514 4.527 -0.000 0.000 0.295 257 F C 2.758 178.426 175.800 -0.220 0.000 1.091 257 F CA 1.512 59.351 58.000 -0.269 0.000 1.308 257 F CB -0.737 38.224 39.000 -0.064 0.000 1.030 257 F HN -0.137 nan 8.300 nan 0.000 0.487 258 R N 0.758 121.294 120.500 0.060 0.000 2.096 258 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 258 R C 1.239 177.502 176.300 -0.061 0.000 1.139 258 R CA 2.225 58.325 56.100 -0.001 0.000 0.952 258 R CB -0.433 29.885 30.300 0.029 0.000 0.854 258 R HN 0.179 nan 8.270 nan 0.000 0.436 259 D N -0.412 119.935 120.400 -0.089 0.000 2.355 259 D HA -0.031 4.609 4.640 -0.000 0.000 0.218 259 D C 0.028 176.243 176.300 -0.142 0.000 1.004 259 D CA 0.732 54.685 54.000 -0.079 0.000 0.880 259 D CB 0.005 40.775 40.800 -0.049 0.000 0.911 259 D HN 0.367 nan 8.370 nan 0.000 0.528 260 N N -0.452 118.099 118.700 -0.249 0.000 2.458 260 N HA 0.292 5.032 4.740 -0.000 0.000 0.274 260 N C 0.690 176.089 175.510 -0.184 0.000 1.242 260 N CA -0.083 52.808 53.050 -0.265 0.000 0.904 260 N CB 1.252 39.452 38.487 -0.479 0.000 1.206 260 N HN -0.027 nan 8.380 nan 0.000 0.510 261 G N 0.497 109.211 108.800 -0.144 0.000 2.168 261 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 261 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 261 G C 0.120 174.907 174.900 -0.188 0.000 0.997 261 G CA 0.558 45.577 45.100 -0.136 0.000 0.708 261 G HN 0.335 nan 8.290 nan 0.000 0.520 262 K N -0.745 119.543 120.400 -0.187 0.000 2.316 262 K HA 0.661 4.981 4.320 -0.000 0.000 0.234 262 K C -0.506 175.929 176.600 -0.275 0.000 1.054 262 K CA -0.999 55.216 56.287 -0.119 0.000 0.879 262 K CB 1.144 33.752 32.500 0.180 0.000 1.252 262 K HN 0.285 nan 8.250 nan 0.000 0.471 263 H N -0.336 118.831 119.070 0.160 0.000 2.547 263 H HA 0.505 5.061 4.556 -0.000 0.000 0.342 263 H C -1.049 174.311 175.328 0.053 0.000 1.048 263 H CA -0.685 55.409 56.048 0.077 0.000 1.204 263 H CB 1.968 31.729 29.762 -0.002 0.000 1.493 263 H HN 0.675 nan 8.280 nan 0.000 0.511 264 A N 2.950 125.847 122.820 0.129 0.000 2.380 264 A HA 0.586 4.906 4.320 -0.000 0.000 0.315 264 A C -1.259 176.336 177.584 0.017 0.000 1.101 264 A CA -0.714 51.334 52.037 0.018 0.000 0.771 264 A CB 1.839 20.851 19.000 0.020 0.000 1.287 264 A HN 0.474 nan 8.150 nan 0.000 0.436 265 L N 1.796 123.009 121.223 -0.018 0.000 2.376 265 L HA 0.783 5.123 4.340 -0.000 0.000 0.275 265 L C -1.203 175.623 176.870 -0.072 0.000 0.987 265 L CA -0.326 54.492 54.840 -0.036 0.000 0.828 265 L CB 1.201 43.244 42.059 -0.026 0.000 1.249 265 L HN 0.680 nan 8.230 nan 0.000 0.409 266 I N 5.631 126.109 120.570 -0.153 0.000 2.433 266 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 266 I C -1.103 174.741 176.117 -0.455 0.000 1.001 266 I CA -0.600 60.511 61.300 -0.314 0.000 1.119 266 I CB 1.390 39.147 38.000 -0.407 0.000 1.289 266 I HN 0.644 nan 8.210 nan 0.000 0.438 267 I N 7.648 127.956 120.570 -0.437 0.000 2.378 267 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 267 I C -1.283 174.493 176.117 -0.568 0.000 0.992 267 I CA -0.538 60.525 61.300 -0.394 0.000 1.154 267 I CB 1.283 39.193 38.000 -0.149 0.000 1.315 267 I HN 0.456 nan 8.210 nan 0.000 0.448 268 Y N 3.976 124.135 120.300 -0.234 0.000 2.593 268 Y HA 0.284 4.834 4.550 -0.000 0.000 0.331 268 Y C -0.118 175.626 175.900 -0.260 0.000 0.986 268 Y CA -0.750 57.184 58.100 -0.275 0.000 1.262 268 Y CB 0.692 38.998 38.460 -0.258 0.000 1.098 268 Y HN 0.419 nan 8.280 nan 0.000 0.506 269 D N 3.841 124.113 120.400 -0.214 0.000 2.479 269 D HA 0.180 4.820 4.640 -0.000 0.000 0.247 269 D C -1.110 175.140 176.300 -0.083 0.000 1.119 269 D CA -0.278 53.629 54.000 -0.155 0.000 0.922 269 D CB 0.250 40.917 40.800 -0.221 0.000 1.014 269 D HN 0.715 nan 8.370 nan 0.000 0.510 270 D N -0.112 120.268 120.400 -0.033 0.000 2.592 270 D HA 0.244 4.884 4.640 -0.000 0.000 0.263 270 D C 0.800 177.072 176.300 -0.046 0.000 1.132 270 D CA -0.724 53.254 54.000 -0.036 0.000 0.996 270 D CB 1.020 41.812 40.800 -0.012 0.000 1.442 270 D HN 0.046 nan 8.370 nan 0.000 0.486 271 L N 0.127 121.287 121.223 -0.105 0.000 2.492 271 L HA 0.038 4.378 4.340 -0.000 0.000 0.223 271 L C 1.717 178.586 176.870 -0.001 0.000 1.132 271 L CA 0.346 55.086 54.840 -0.166 0.000 0.850 271 L CB -0.331 41.380 42.059 -0.580 0.000 0.966 271 L HN 0.402 nan 8.230 nan 0.000 0.454 272 S N 0.205 115.915 115.700 0.016 0.000 2.355 272 S HA -0.131 4.339 4.470 -0.000 0.000 0.222 272 S C 1.940 176.618 174.600 0.129 0.000 1.031 272 S CA 1.159 59.408 58.200 0.082 0.000 0.993 272 S CB -0.026 63.215 63.200 0.068 0.000 0.859 272 S HN 0.384 nan 8.310 nan 0.000 0.453 273 K N 1.079 121.537 120.400 0.097 0.000 2.148 273 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 273 K C 2.410 179.094 176.600 0.139 0.000 1.050 273 K CA 0.784 57.137 56.287 0.111 0.000 0.942 273 K CB -0.162 32.385 32.500 0.078 0.000 0.724 273 K HN 0.359 nan 8.250 nan 0.000 0.446 274 Q N 0.813 120.688 119.800 0.125 0.000 2.084 274 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 274 Q C 1.967 178.118 176.000 0.251 0.000 0.978 274 Q CA 1.513 57.415 55.803 0.165 0.000 0.844 274 Q CB -0.034 28.755 28.738 0.086 0.000 0.898 274 Q HN 0.306 nan 8.270 nan 0.000 0.426 275 A N -0.067 122.909 122.820 0.260 0.000 1.969 275 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 275 A C 2.187 180.024 177.584 0.422 0.000 1.169 275 A CA 1.118 53.324 52.037 0.283 0.000 0.635 275 A CB -0.446 18.625 19.000 0.118 0.000 0.810 275 A HN 0.280 nan 8.150 nan 0.000 0.445 276 V N -0.187 119.929 119.914 0.336 0.000 2.358 276 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 276 V C 3.043 179.249 176.094 0.187 0.000 1.047 276 V CA 1.836 64.288 62.300 0.253 0.000 1.035 276 V CB -1.022 30.909 31.823 0.181 0.000 0.658 276 V HN 0.603 nan 8.190 nan 0.000 0.452 277 A N -1.142 121.800 122.820 0.202 0.000 1.933 277 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 277 A C 2.148 179.852 177.584 0.200 0.000 1.175 277 A CA 2.054 54.202 52.037 0.185 0.000 0.628 277 A CB -0.725 18.404 19.000 0.215 0.000 0.814 277 A HN 0.625 nan 8.150 nan 0.000 0.444 278 Y N 0.213 120.596 120.300 0.140 0.000 2.263 278 Y HA -0.116 4.434 4.550 -0.000 0.000 0.292 278 Y C 2.481 178.414 175.900 0.055 0.000 1.130 278 Y CA 1.763 59.913 58.100 0.085 0.000 1.179 278 Y CB -0.310 38.242 38.460 0.152 0.000 0.998 278 Y HN 0.349 nan 8.280 nan 0.000 0.532 279 R N 0.268 120.823 120.500 0.092 0.000 2.075 279 R HA -0.220 4.120 4.340 -0.000 0.000 0.232 279 R C 2.426 178.653 176.300 -0.123 0.000 1.126 279 R CA 1.770 57.843 56.100 -0.044 0.000 0.963 279 R CB -0.386 29.871 30.300 -0.072 0.000 0.858 279 R HN 0.539 nan 8.270 nan 0.000 0.435 280 Q N 0.381 120.142 119.800 -0.066 0.000 2.061 280 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 280 Q C 2.033 177.960 176.000 -0.123 0.000 0.984 280 Q CA 2.200 57.958 55.803 -0.074 0.000 0.846 280 Q CB -0.108 28.615 28.738 -0.025 0.000 0.902 280 Q HN 0.422 nan 8.270 nan 0.000 0.421 281 M N 0.083 119.584 119.600 -0.165 0.000 2.117 281 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 281 M C 2.369 178.501 176.300 -0.280 0.000 1.065 281 M CA 1.753 56.919 55.300 -0.223 0.000 1.114 281 M CB -0.066 32.360 32.600 -0.290 0.000 1.361 281 M HN 0.144 nan 8.290 nan 0.000 0.408 282 S N 0.798 116.256 115.700 -0.403 0.000 2.368 282 S HA -0.075 4.395 4.470 -0.000 0.000 0.225 282 S C 1.893 176.383 174.600 -0.183 0.000 1.030 282 S CA 1.154 59.154 58.200 -0.333 0.000 0.999 282 S CB -0.503 62.464 63.200 -0.388 0.000 0.844 282 S HN 0.384 nan 8.310 nan 0.000 0.459 283 L N 1.065 122.196 121.223 -0.153 0.000 2.046 283 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 283 L C 2.246 179.062 176.870 -0.091 0.000 1.077 283 L CA 1.034 55.811 54.840 -0.104 0.000 0.747 283 L CB -0.607 41.395 42.059 -0.095 0.000 0.896 283 L HN 0.288 nan 8.230 nan 0.000 0.432 284 L N -0.575 120.588 121.223 -0.100 0.000 2.131 284 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 284 L C 2.206 179.028 176.870 -0.079 0.000 1.092 284 L CA 1.042 55.833 54.840 -0.081 0.000 0.759 284 L CB -0.297 41.713 42.059 -0.082 0.000 0.903 284 L HN 0.296 nan 8.230 nan 0.000 0.435 285 L N -0.400 120.765 121.223 -0.097 0.000 2.599 285 L HA 0.033 4.373 4.340 -0.000 0.000 0.230 285 L C 0.744 177.577 176.870 -0.063 0.000 1.141 285 L CA 0.201 54.992 54.840 -0.081 0.000 0.877 285 L CB -0.170 41.829 42.059 -0.101 0.000 1.009 285 L HN 0.272 nan 8.230 nan 0.000 0.447 286 R N -0.356 120.107 120.500 -0.062 0.000 3.770 286 R HA -0.161 4.179 4.340 -0.000 0.000 0.305 286 R C -0.108 176.168 176.300 -0.039 0.000 1.184 286 R CA 0.374 56.446 56.100 -0.046 0.000 0.823 286 R CB -1.904 28.375 30.300 -0.034 0.000 1.285 286 R HN 0.377 nan 8.270 nan 0.000 0.499 287 R N 1.384 121.855 120.500 -0.048 0.000 2.543 287 R HA 0.155 4.495 4.340 -0.000 0.000 0.277 287 R C -2.053 174.235 176.300 -0.020 0.000 1.074 287 R CA -1.637 54.445 56.100 -0.031 0.000 1.076 287 R CB 0.206 30.481 30.300 -0.043 0.000 0.993 287 R HN -0.123 nan 8.270 nan 0.000 0.459 288 P HA 0.062 nan 4.420 nan 0.000 0.265 288 P C -2.285 175.023 177.300 0.012 0.000 1.222 288 P CA -0.988 62.113 63.100 0.002 0.000 0.767 288 P CB -0.032 31.674 31.700 0.010 0.000 0.801 289 P HA 0.192 nan 4.420 nan 0.000 0.271 289 P C 0.424 177.736 177.300 0.019 0.000 1.216 289 P CA 0.177 63.281 63.100 0.008 0.000 0.776 289 P CB 1.081 32.768 31.700 -0.022 0.000 0.881 290 G N 2.466 111.294 108.800 0.046 0.000 3.194 290 G HA2 0.303 4.263 3.960 -0.000 0.000 0.160 290 G HA3 0.303 4.263 3.960 -0.000 0.000 0.160 290 G C -0.431 174.460 174.900 -0.014 0.000 1.267 290 G CA -0.873 44.236 45.100 0.015 0.000 0.962 290 G HN 0.376 nan 8.290 nan 0.000 0.612 291 R N 0.874 121.302 120.500 -0.119 0.000 2.537 291 R HA 0.105 4.445 4.340 -0.000 0.000 0.281 291 R C 0.083 176.432 176.300 0.083 0.000 0.988 291 R CA 0.744 56.750 56.100 -0.157 0.000 1.077 291 R CB 0.003 29.946 30.300 -0.595 0.000 0.932 291 R HN 0.709 nan 8.270 nan 0.000 0.409 292 E N 1.808 122.060 120.200 0.087 0.000 2.660 292 E HA -0.348 4.002 4.350 -0.000 0.000 0.260 292 E C 0.297 176.870 176.600 -0.045 0.000 1.122 292 E CA 0.497 56.963 56.400 0.110 0.000 0.755 292 E CB -0.935 28.954 29.700 0.316 0.000 1.345 292 E HN 0.885 nan 8.360 nan 0.000 0.421 293 A N -2.251 120.553 122.820 -0.028 0.000 2.979 293 A HA -0.301 4.019 4.320 -0.000 0.000 0.260 293 A C 0.015 177.539 177.584 -0.100 0.000 1.282 293 A CA 1.683 53.671 52.037 -0.082 0.000 0.971 293 A CB -2.199 16.723 19.000 -0.130 0.000 1.124 293 A HN 0.446 nan 8.150 nan 0.000 0.826 294 Y N 0.670 121.044 120.300 0.124 0.000 2.346 294 Y HA 0.427 4.977 4.550 -0.000 0.000 0.330 294 Y C -1.236 174.762 175.900 0.164 0.000 1.178 294 Y CA -1.238 56.968 58.100 0.176 0.000 1.331 294 Y CB 0.421 39.071 38.460 0.316 0.000 1.253 294 Y HN 0.256 nan 8.280 nan 0.000 0.529 295 P HA -0.022 nan 4.420 nan 0.000 0.269 295 P C 0.617 178.082 177.300 0.276 0.000 1.215 295 P CA 0.124 63.351 63.100 0.212 0.000 0.780 295 P CB 0.832 32.621 31.700 0.149 0.000 0.898 296 G N 1.585 110.511 108.800 0.211 0.000 2.509 296 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 296 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 296 G C 0.647 175.696 174.900 0.248 0.000 1.124 296 G CA 0.417 45.649 45.100 0.220 0.000 0.776 296 G HN 0.631 nan 8.290 nan 0.000 0.547 297 D N 0.233 120.795 120.400 0.270 0.000 2.395 297 D HA 0.076 4.716 4.640 -0.000 0.000 0.226 297 D C 1.708 178.167 176.300 0.266 0.000 1.146 297 D CA -0.406 53.777 54.000 0.304 0.000 0.830 297 D CB 0.181 41.180 40.800 0.331 0.000 0.958 297 D HN 0.100 nan 8.370 nan 0.000 0.501 298 V N -0.118 119.933 119.914 0.229 0.000 2.667 298 V HA -0.092 4.028 4.120 -0.000 0.000 0.252 298 V C 1.750 177.765 176.094 -0.132 0.000 1.065 298 V CA 1.075 63.396 62.300 0.035 0.000 1.083 298 V CB -0.731 31.111 31.823 0.031 0.000 0.692 298 V HN 0.243 nan 8.190 nan 0.000 0.468 299 F N 0.235 120.121 119.950 -0.107 0.000 2.113 299 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 299 F C 2.162 177.966 175.800 0.007 0.000 1.103 299 F CA 2.355 60.300 58.000 -0.092 0.000 1.248 299 F CB -0.755 38.230 39.000 -0.026 0.000 0.999 299 F HN 0.325 nan 8.300 nan 0.000 0.475 300 Y N 0.929 121.115 120.300 -0.189 0.000 2.256 300 Y HA -0.190 4.360 4.550 -0.000 0.000 0.288 300 Y C 2.132 177.882 175.900 -0.250 0.000 1.155 300 Y CA 1.515 59.470 58.100 -0.242 0.000 1.203 300 Y CB -0.925 37.542 38.460 0.011 0.000 0.980 300 Y HN 0.272 nan 8.280 nan 0.000 0.530 301 L N -0.151 120.865 121.223 -0.345 0.000 2.021 301 L HA -0.303 4.037 4.340 -0.000 0.000 0.215 301 L C 2.226 178.929 176.870 -0.280 0.000 1.074 301 L CA 2.494 57.080 54.840 -0.423 0.000 0.760 301 L CB -0.821 40.906 42.059 -0.553 0.000 0.889 301 L HN 0.390 nan 8.230 nan 0.000 0.433 302 H N -2.066 116.793 119.070 -0.351 0.000 2.431 302 H HA -0.019 4.537 4.556 -0.000 0.000 0.295 302 H C 2.375 177.462 175.328 -0.401 0.000 1.038 302 H CA 0.776 56.600 56.048 -0.374 0.000 1.360 302 H CB 0.094 29.655 29.762 -0.335 0.000 1.433 302 H HN 0.531 nan 8.280 nan 0.000 0.536 303 S N 1.731 117.174 115.700 -0.428 0.000 2.368 303 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 303 S C 2.107 176.589 174.600 -0.196 0.000 1.030 303 S CA 1.244 59.198 58.200 -0.411 0.000 0.999 303 S CB -0.281 62.496 63.200 -0.705 0.000 0.844 303 S HN 0.520 nan 8.310 nan 0.000 0.459 304 R N 0.824 121.198 120.500 -0.210 0.000 2.115 304 R HA 0.107 4.447 4.340 -0.000 0.000 0.230 304 R C 2.367 178.621 176.300 -0.078 0.000 1.111 304 R CA 1.223 57.244 56.100 -0.131 0.000 0.976 304 R CB -0.849 29.283 30.300 -0.280 0.000 0.870 304 R HN 0.461 nan 8.270 nan 0.000 0.445 305 L N 1.318 122.484 121.223 -0.095 0.000 2.027 305 L HA -0.038 4.302 4.340 -0.000 0.000 0.206 305 L C 2.084 178.872 176.870 -0.135 0.000 1.074 305 L CA 1.591 56.344 54.840 -0.145 0.000 0.745 305 L CB -0.132 41.657 42.059 -0.449 0.000 0.898 305 L HN 0.194 nan 8.230 nan 0.000 0.433 306 L N -0.943 120.195 121.223 -0.142 0.000 2.341 306 L HA -0.003 4.337 4.340 -0.000 0.000 0.214 306 L C 2.389 179.242 176.870 -0.028 0.000 1.115 306 L CA 0.264 55.061 54.840 -0.071 0.000 0.820 306 L CB -0.571 41.432 42.059 -0.094 0.000 0.944 306 L HN 0.247 nan 8.230 nan 0.000 0.452 307 E N 0.828 121.008 120.200 -0.034 0.000 2.265 307 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 307 E C 2.050 178.651 176.600 0.002 0.000 0.996 307 E CA 0.881 57.276 56.400 -0.008 0.000 0.832 307 E CB 0.044 29.744 29.700 0.000 0.000 0.756 307 E HN 0.517 nan 8.360 nan 0.000 0.491 308 R N 0.440 120.945 120.500 0.008 0.000 2.276 308 R HA 0.094 4.434 4.340 -0.000 0.000 0.203 308 R C 0.917 177.237 176.300 0.033 0.000 1.017 308 R CA 0.362 56.475 56.100 0.022 0.000 1.010 308 R CB 0.072 30.393 30.300 0.035 0.000 0.900 308 R HN -0.082 nan 8.270 nan 0.000 0.469 309 A N 1.375 124.217 122.820 0.037 0.000 2.409 309 A HA 0.626 4.946 4.320 -0.000 0.000 0.267 309 A C -0.121 177.474 177.584 0.018 0.000 1.127 309 A CA -0.010 52.048 52.037 0.035 0.000 0.795 309 A CB 0.377 19.399 19.000 0.038 0.000 1.061 309 A HN 0.303 nan 8.150 nan 0.000 0.502 310 A N 2.351 125.181 122.820 0.016 0.000 2.601 310 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 310 A C -0.914 176.679 177.584 0.014 0.000 1.075 310 A CA -0.741 51.299 52.037 0.005 0.000 0.671 310 A CB 1.090 20.082 19.000 -0.013 0.000 1.277 310 A HN 0.944 nan 8.150 nan 0.000 0.417 311 K N 1.242 121.648 120.400 0.009 0.000 2.307 311 K HA 0.649 4.969 4.320 -0.000 0.000 0.263 311 K C -0.929 175.676 176.600 0.009 0.000 0.973 311 K CA -0.344 55.959 56.287 0.026 0.000 0.846 311 K CB 0.689 33.206 32.500 0.029 0.000 1.100 311 K HN 0.564 nan 8.250 nan 0.000 0.438 312 M N 3.587 123.198 119.600 0.019 0.000 2.233 312 M HA 0.229 4.709 4.480 -0.000 0.000 0.355 312 M C 0.073 176.409 176.300 0.061 0.000 1.191 312 M CA -0.850 54.463 55.300 0.021 0.000 1.101 312 M CB 0.347 32.976 32.600 0.047 0.000 1.592 312 M HN 0.775 nan 8.290 nan 0.000 0.461 313 N N 1.666 120.414 118.700 0.080 0.000 2.288 313 N HA 0.030 4.770 4.740 -0.000 0.000 0.237 313 N C 0.121 175.708 175.510 0.129 0.000 1.311 313 N CA -0.088 53.023 53.050 0.101 0.000 0.909 313 N CB 0.484 39.036 38.487 0.107 0.000 1.167 313 N HN 0.421 nan 8.380 nan 0.000 0.476 314 D N -0.673 119.781 120.400 0.090 0.000 2.178 314 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 314 D C 1.543 177.870 176.300 0.045 0.000 0.980 314 D CA 1.533 55.568 54.000 0.059 0.000 0.842 314 D CB -0.596 40.225 40.800 0.036 0.000 0.948 314 D HN 0.722 nan 8.370 nan 0.000 0.472 315 A N -0.530 122.331 122.820 0.068 0.000 2.172 315 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 315 A C 1.142 178.587 177.584 -0.231 0.000 1.154 315 A CA 0.597 52.604 52.037 -0.051 0.000 0.701 315 A CB -0.485 18.506 19.000 -0.014 0.000 0.789 315 A HN 0.143 nan 8.150 nan 0.000 0.465 316 F N -1.385 118.553 119.950 -0.019 0.000 2.698 316 F HA 0.414 4.941 4.527 -0.000 0.000 0.304 316 F C 1.600 177.375 175.800 -0.041 0.000 1.108 316 F CA 0.419 58.403 58.000 -0.027 0.000 1.263 316 F CB 0.691 39.678 39.000 -0.022 0.000 1.013 316 F HN 0.297 nan 8.300 nan 0.000 0.532 317 G N -0.380 108.444 108.800 0.040 0.000 2.194 317 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.236 317 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.236 317 G C 1.248 176.148 174.900 0.001 0.000 0.987 317 G CA -0.074 45.025 45.100 -0.002 0.000 0.635 317 G HN 1.099 nan 8.290 nan 0.000 0.520 318 G N -0.561 108.262 108.800 0.038 0.000 2.168 318 G HA2 0.182 4.142 3.960 -0.000 0.000 0.257 318 G HA3 0.182 4.142 3.960 -0.000 0.000 0.257 318 G C 1.355 176.237 174.900 -0.029 0.000 0.997 318 G CA 1.153 46.272 45.100 0.032 0.000 0.708 318 G HN 2.068 nan 8.290 nan 0.000 0.520 319 G N -0.828 107.910 108.800 -0.103 0.000 2.557 319 G HA2 0.857 4.817 3.960 -0.000 0.000 0.292 319 G HA3 0.857 4.817 3.960 -0.000 0.000 0.292 319 G C 0.198 175.034 174.900 -0.106 0.000 1.237 319 G CA 0.697 45.626 45.100 -0.285 0.000 0.978 319 G HN 1.813 nan 8.290 nan 0.000 0.498 320 S N -1.877 113.781 115.700 -0.071 0.000 2.588 320 S HA 0.609 5.079 4.470 -0.000 0.000 0.269 320 S C -1.723 172.934 174.600 0.095 0.000 1.157 320 S CA -0.769 57.488 58.200 0.095 0.000 0.824 320 S CB 1.889 65.233 63.200 0.240 0.000 1.126 320 S HN 1.217 nan 8.310 nan 0.000 0.464 321 L N 1.674 122.940 121.223 0.073 0.000 2.406 321 L HA 0.687 5.027 4.340 -0.000 0.000 0.270 321 L C -0.717 176.174 176.870 0.034 0.000 0.982 321 L CA 0.211 55.087 54.840 0.061 0.000 0.843 321 L CB 1.539 43.635 42.059 0.060 0.000 1.225 321 L HN 0.921 nan 8.230 nan 0.000 0.412 322 T N 4.024 118.588 114.554 0.015 0.000 2.875 322 T HA 0.858 5.208 4.350 -0.000 0.000 0.284 322 T C -0.218 174.458 174.700 -0.040 0.000 0.995 322 T CA -0.137 61.956 62.100 -0.010 0.000 1.060 322 T CB 1.408 70.263 68.868 -0.022 0.000 0.967 322 T HN 0.814 nan 8.240 nan 0.000 0.476 323 A N 2.907 125.706 122.820 -0.035 0.000 2.365 323 A HA 0.787 5.107 4.320 -0.000 0.000 0.318 323 A C -0.820 176.730 177.584 -0.057 0.000 1.091 323 A CA -0.785 51.211 52.037 -0.069 0.000 0.763 323 A CB 0.859 19.883 19.000 0.040 0.000 1.248 323 A HN 0.836 nan 8.150 nan 0.000 0.442 324 L N 3.725 124.888 121.223 -0.100 0.000 2.445 324 L HA 0.341 4.681 4.340 -0.000 0.000 0.252 324 L C -2.386 174.455 176.870 -0.049 0.000 1.105 324 L CA -1.732 53.070 54.840 -0.064 0.000 0.943 324 L CB 1.505 43.530 42.059 -0.058 0.000 1.277 324 L HN 0.479 nan 8.230 nan 0.000 0.465 325 P HA 0.140 nan 4.420 nan 0.000 0.271 325 P C -0.475 176.805 177.300 -0.032 0.000 1.218 325 P CA -0.122 63.007 63.100 0.049 0.000 0.780 325 P CB 1.948 33.637 31.700 -0.018 0.000 0.901 326 V N 3.988 123.878 119.914 -0.040 0.000 2.581 326 V HA 0.418 4.538 4.120 -0.000 0.000 0.303 326 V C 0.315 176.375 176.094 -0.056 0.000 1.041 326 V CA -0.612 61.665 62.300 -0.040 0.000 0.907 326 V CB 1.727 33.540 31.823 -0.017 0.000 0.994 326 V HN 0.412 nan 8.190 nan 0.000 0.442 327 I N 3.162 123.709 120.570 -0.039 0.000 2.466 327 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 327 I C -0.076 176.046 176.117 0.009 0.000 1.026 327 I CA -0.445 60.839 61.300 -0.027 0.000 1.078 327 I CB 2.005 39.985 38.000 -0.034 0.000 1.249 327 I HN 0.771 nan 8.210 nan 0.000 0.429 328 E N 5.209 125.424 120.200 0.024 0.000 2.115 328 E HA 0.343 4.693 4.350 -0.000 0.000 0.282 328 E C -0.285 176.345 176.600 0.050 0.000 0.987 328 E CA -0.367 56.055 56.400 0.037 0.000 0.797 328 E CB 0.976 30.700 29.700 0.041 0.000 1.086 328 E HN 0.702 nan 8.360 nan 0.000 0.397 329 T N 2.061 116.648 114.554 0.055 0.000 2.816 329 T HA 0.263 4.613 4.350 -0.000 0.000 0.282 329 T C 0.076 174.807 174.700 0.053 0.000 0.993 329 T CA -0.896 61.241 62.100 0.062 0.000 0.994 329 T CB 1.271 70.182 68.868 0.072 0.000 1.025 329 T HN 0.346 nan 8.240 nan 0.000 0.529 330 Q N 0.252 120.084 119.800 0.054 0.000 2.327 330 Q HA 0.530 4.870 4.340 -0.000 0.000 0.270 330 Q C 0.188 176.208 176.000 0.033 0.000 1.022 330 Q CA -0.169 55.661 55.803 0.044 0.000 0.773 330 Q CB 1.334 30.105 28.738 0.054 0.000 1.251 330 Q HN 1.226 nan 8.270 nan 0.000 0.457 331 A N 2.243 125.074 122.820 0.018 0.000 2.745 331 A HA -0.156 4.164 4.320 -0.000 0.000 0.296 331 A C 1.120 178.706 177.584 0.003 0.000 1.500 331 A CA 1.450 53.490 52.037 0.005 0.000 0.766 331 A CB -2.132 16.873 19.000 0.008 0.000 1.030 331 A HN 1.574 nan 8.150 nan 0.000 0.489 332 G N -1.107 107.698 108.800 0.008 0.000 2.166 332 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 332 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 332 G C -0.022 174.886 174.900 0.013 0.000 0.986 332 G CA 1.120 46.223 45.100 0.006 0.000 0.683 332 G HN 1.725 nan 8.290 nan 0.000 0.527 333 D N 0.457 120.876 120.400 0.030 0.000 2.453 333 D HA 0.393 5.033 4.640 -0.000 0.000 0.223 333 D C 1.781 178.120 176.300 0.066 0.000 1.183 333 D CA 0.246 54.270 54.000 0.039 0.000 0.933 333 D CB 0.648 41.474 40.800 0.043 0.000 1.038 333 D HN 0.558 nan 8.370 nan 0.000 0.513 334 V N 1.191 121.150 119.914 0.074 0.000 3.380 334 V HA 0.025 4.145 4.120 -0.000 0.000 0.268 334 V C 1.452 177.613 176.094 0.112 0.000 1.168 334 V CA 0.684 63.060 62.300 0.127 0.000 1.156 334 V CB -0.141 31.810 31.823 0.214 0.000 0.785 334 V HN 0.300 nan 8.190 nan 0.000 0.487 335 S N 0.746 116.496 115.700 0.083 0.000 2.593 335 S HA 0.528 4.998 4.470 -0.000 0.000 0.217 335 S C 1.285 175.944 174.600 0.098 0.000 0.966 335 S CA 0.394 58.643 58.200 0.081 0.000 0.914 335 S CB -0.156 63.078 63.200 0.056 0.000 0.776 335 S HN 0.907 nan 8.310 nan 0.000 0.523 336 A N 0.468 123.351 122.820 0.105 0.000 2.409 336 A HA 0.314 4.634 4.320 -0.000 0.000 0.246 336 A C 0.817 178.511 177.584 0.183 0.000 1.099 336 A CA -0.116 52.003 52.037 0.137 0.000 0.789 336 A CB -0.177 18.899 19.000 0.127 0.000 1.053 336 A HN 0.477 nan 8.150 nan 0.000 0.503 337 Y N 0.186 120.516 120.300 0.051 0.000 2.114 337 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 337 Y C 1.861 177.759 175.900 -0.002 0.000 1.143 337 Y CA 1.878 59.996 58.100 0.030 0.000 1.135 337 Y CB -0.009 38.478 38.460 0.046 0.000 0.980 337 Y HN 0.513 nan 8.280 nan 0.000 0.499 338 I N 0.513 121.010 120.570 -0.121 0.000 2.202 338 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 338 I C -0.580 175.495 176.117 -0.069 0.000 1.091 338 I CA 1.125 62.289 61.300 -0.226 0.000 1.368 338 I CB -2.876 34.976 38.000 -0.246 0.000 1.058 338 I HN 0.185 nan 8.210 nan 0.000 0.410 339 P HA -0.153 nan 4.420 nan 0.000 0.215 339 P C 1.842 179.169 177.300 0.044 0.000 1.157 339 P CA 2.522 65.642 63.100 0.034 0.000 0.874 339 P CB -0.276 31.469 31.700 0.074 0.000 0.790 340 T N -3.689 110.903 114.554 0.063 0.000 2.821 340 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 340 T C 1.739 176.481 174.700 0.070 0.000 1.046 340 T CA 1.245 63.392 62.100 0.079 0.000 1.139 340 T CB -1.214 67.715 68.868 0.101 0.000 0.871 340 T HN -0.045 nan 8.240 nan 0.000 0.454 341 N N 1.385 120.107 118.700 0.036 0.000 2.061 341 N HA -0.072 4.668 4.740 -0.000 0.000 0.193 341 N C 1.920 177.523 175.510 0.155 0.000 1.030 341 N CA 1.284 54.399 53.050 0.108 0.000 0.856 341 N CB -0.814 37.662 38.487 -0.017 0.000 1.023 341 N HN 0.348 nan 8.380 nan 0.000 0.424 342 V N 0.977 120.927 119.914 0.059 0.000 2.488 342 V HA -0.068 4.052 4.120 -0.000 0.000 0.246 342 V C 2.209 178.308 176.094 0.008 0.000 1.046 342 V CA 0.819 63.123 62.300 0.008 0.000 1.053 342 V CB -0.345 31.433 31.823 -0.076 0.000 0.679 342 V HN 0.208 nan 8.190 nan 0.000 0.458 343 I N 1.450 122.030 120.570 0.016 0.000 2.194 343 I HA -0.263 3.907 4.170 -0.000 0.000 0.246 343 I C 2.495 178.638 176.117 0.044 0.000 1.093 343 I CA 2.036 63.343 61.300 0.012 0.000 1.355 343 I CB -0.367 37.654 38.000 0.036 0.000 1.046 343 I HN 0.478 nan 8.210 nan 0.000 0.413 344 S N -0.169 115.583 115.700 0.088 0.000 2.603 344 S HA 0.069 4.539 4.470 -0.000 0.000 0.229 344 S C 1.565 176.260 174.600 0.158 0.000 0.972 344 S CA 0.456 58.725 58.200 0.116 0.000 0.935 344 S CB -0.414 62.862 63.200 0.126 0.000 0.769 344 S HN 0.461 nan 8.310 nan 0.000 0.536 345 I N 1.410 122.052 120.570 0.120 0.000 3.300 345 I HA 0.063 4.233 4.170 -0.000 0.000 0.279 345 I C 1.394 177.527 176.117 0.026 0.000 1.172 345 I CA 0.523 61.871 61.300 0.080 0.000 1.431 345 I CB -0.218 37.782 38.000 0.000 0.000 1.240 345 I HN 0.331 nan 8.210 nan 0.000 0.453 346 T N -1.513 113.040 114.554 -0.001 0.000 2.726 346 T HA 0.086 4.436 4.350 -0.000 0.000 0.294 346 T C 0.273 174.965 174.700 -0.012 0.000 1.013 346 T CA -0.409 61.680 62.100 -0.019 0.000 0.996 346 T CB 0.637 69.477 68.868 -0.046 0.000 1.016 346 T HN 0.025 nan 8.240 nan 0.000 0.529 347 D N 0.773 121.162 120.400 -0.019 0.000 2.706 347 D HA 0.423 5.063 4.640 -0.000 0.000 0.236 347 D C 1.032 177.316 176.300 -0.027 0.000 1.231 347 D CA 0.383 54.373 54.000 -0.015 0.000 0.828 347 D CB -0.417 40.376 40.800 -0.012 0.000 1.015 347 D HN 1.003 nan 8.370 nan 0.000 0.484 348 G N 1.116 109.890 108.800 -0.043 0.000 2.384 348 G HA2 0.096 4.056 3.960 -0.000 0.000 0.668 348 G HA3 0.096 4.056 3.960 -0.000 0.000 0.668 348 G C -1.588 173.233 174.900 -0.131 0.000 1.280 348 G CA -0.930 44.127 45.100 -0.071 0.000 0.992 348 G HN 0.193 nan 8.290 nan 0.000 0.512 349 Q N -1.201 118.477 119.800 -0.203 0.000 2.527 349 Q HA 0.595 4.935 4.340 -0.000 0.000 0.280 349 Q C -1.696 174.097 176.000 -0.346 0.000 0.977 349 Q CA -0.906 54.706 55.803 -0.317 0.000 0.837 349 Q CB 1.624 30.056 28.738 -0.511 0.000 1.454 349 Q HN 0.986 nan 8.270 nan 0.000 0.387 350 I N 2.164 122.576 120.570 -0.263 0.000 2.371 350 I HA 0.342 4.512 4.170 -0.000 0.000 0.282 350 I C -0.873 175.185 176.117 -0.099 0.000 1.031 350 I CA -0.557 60.667 61.300 -0.127 0.000 1.180 350 I CB 0.420 38.392 38.000 -0.046 0.000 1.336 350 I HN 0.397 nan 8.210 nan 0.000 0.467 351 F N 6.559 126.523 119.950 0.023 0.000 2.420 351 F HA 0.432 4.959 4.527 0.000 0.000 0.352 351 F C 0.226 176.045 175.800 0.032 0.000 1.108 351 F CA -0.448 57.566 58.000 0.024 0.000 1.162 351 F CB 0.716 39.729 39.000 0.021 0.000 1.118 351 F HN 0.156 nan 8.300 nan 0.000 0.510 352 L N 3.590 124.945 121.223 0.219 0.000 2.334 352 L HA 0.556 4.896 4.340 -0.000 0.000 0.275 352 L C -0.487 176.460 176.870 0.128 0.000 1.036 352 L CA -0.721 54.212 54.840 0.155 0.000 0.807 352 L CB 1.818 43.951 42.059 0.124 0.000 1.231 352 L HN 0.609 nan 8.230 nan 0.000 0.438 353 E N 0.523 120.789 120.200 0.109 0.000 2.292 353 E HA 0.227 4.577 4.350 -0.000 0.000 0.272 353 E C -0.118 176.511 176.600 0.048 0.000 0.881 353 E CA -0.497 55.936 56.400 0.055 0.000 0.754 353 E CB 2.369 32.085 29.700 0.027 0.000 1.201 353 E HN 0.532 nan 8.360 nan 0.000 0.425 354 T N 1.364 115.894 114.554 -0.040 0.000 2.720 354 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 354 T C 1.385 175.954 174.700 -0.219 0.000 1.037 354 T CA 1.178 63.180 62.100 -0.163 0.000 1.144 354 T CB 0.025 68.696 68.868 -0.328 0.000 0.864 354 T HN 0.380 nan 8.240 nan 0.000 0.444 355 E N 0.832 120.939 120.200 -0.156 0.000 2.077 355 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 355 E C 2.313 178.936 176.600 0.038 0.000 0.989 355 E CA 0.783 57.129 56.400 -0.091 0.000 0.800 355 E CB -0.320 29.350 29.700 -0.051 0.000 0.746 355 E HN 0.480 nan 8.360 nan 0.000 0.452 356 L N -0.352 120.909 121.223 0.063 0.000 2.083 356 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 356 L C 2.456 179.409 176.870 0.138 0.000 1.083 356 L CA 0.925 55.820 54.840 0.091 0.000 0.752 356 L CB -0.432 41.679 42.059 0.087 0.000 0.899 356 L HN 0.083 nan 8.230 nan 0.000 0.433 357 F N -0.287 119.709 119.950 0.076 0.000 2.060 357 F HA -0.280 4.247 4.527 -0.000 0.000 0.295 357 F C 2.517 178.465 175.800 0.247 0.000 1.120 357 F CA 1.548 59.636 58.000 0.147 0.000 1.205 357 F CB -0.302 38.802 39.000 0.174 0.000 0.986 357 F HN -0.069 nan 8.300 nan 0.000 0.470 358 Y N 0.816 121.284 120.300 0.281 0.000 2.151 358 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 358 Y C 2.224 178.162 175.900 0.064 0.000 1.166 358 Y CA 1.275 59.478 58.100 0.172 0.000 1.163 358 Y CB -1.241 37.298 38.460 0.132 0.000 0.974 358 Y HN 0.091 nan 8.280 nan 0.000 0.511 359 K N -0.644 119.882 120.400 0.209 0.000 2.555 359 K HA 0.075 4.395 4.320 -0.000 0.000 0.193 359 K C 1.363 177.981 176.600 0.030 0.000 1.032 359 K CA 0.639 56.987 56.287 0.101 0.000 1.004 359 K CB -0.369 32.180 32.500 0.081 0.000 0.804 359 K HN 0.483 nan 8.250 nan 0.000 0.496 360 G N 1.498 110.283 108.800 -0.026 0.000 2.143 360 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.249 360 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.249 360 G C 0.090 174.917 174.900 -0.121 0.000 0.981 360 G CA -0.378 44.656 45.100 -0.111 0.000 0.665 360 G HN 0.203 nan 8.290 nan 0.000 0.528 361 I N 1.495 122.014 120.570 -0.085 0.000 2.260 361 I HA 0.321 4.491 4.170 -0.000 0.000 0.297 361 I C 0.751 176.800 176.117 -0.113 0.000 1.143 361 I CA 0.372 61.638 61.300 -0.058 0.000 1.271 361 I CB -0.173 37.830 38.000 0.005 0.000 1.461 361 I HN 0.150 nan 8.210 nan 0.000 0.530 362 R N 7.239 127.644 120.500 -0.157 0.000 2.532 362 R HA 0.405 4.745 4.340 -0.000 0.000 0.297 362 R C -2.525 173.721 176.300 -0.090 0.000 0.984 362 R CA -1.636 54.348 56.100 -0.193 0.000 0.884 362 R CB 2.359 32.429 30.300 -0.383 0.000 1.182 362 R HN 0.264 nan 8.270 nan 0.000 0.442 363 P HA -0.051 nan 4.420 nan 0.000 0.266 363 P C -0.314 177.015 177.300 0.047 0.000 1.195 363 P CA 0.022 63.135 63.100 0.021 0.000 0.768 363 P CB 0.852 32.574 31.700 0.037 0.000 0.838 364 A N 4.544 127.444 122.820 0.134 0.000 2.916 364 A HA 0.181 4.501 4.320 -0.000 0.000 0.254 364 A C 0.806 178.469 177.584 0.131 0.000 1.544 364 A CA -0.341 51.790 52.037 0.156 0.000 1.224 364 A CB -1.407 17.791 19.000 0.330 0.000 1.012 364 A HN 0.482 nan 8.150 nan 0.000 0.636 365 I N 1.145 121.774 120.570 0.097 0.000 2.352 365 I HA 0.049 4.219 4.170 -0.000 0.000 0.290 365 I C 0.443 176.619 176.117 0.099 0.000 1.036 365 I CA -0.458 60.903 61.300 0.102 0.000 1.336 365 I CB 0.718 38.765 38.000 0.079 0.000 1.407 365 I HN 0.326 nan 8.210 nan 0.000 0.497 366 N N 6.604 125.378 118.700 0.123 0.000 2.415 366 N HA 0.062 4.802 4.740 -0.000 0.000 0.250 366 N C 0.733 176.317 175.510 0.123 0.000 1.127 366 N CA 0.012 53.123 53.050 0.102 0.000 0.945 366 N CB 1.338 39.868 38.487 0.073 0.000 1.196 366 N HN 0.416 nan 8.380 nan 0.000 0.499 367 V N 3.959 123.929 119.914 0.093 0.000 2.295 367 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 367 V C 2.427 178.576 176.094 0.092 0.000 1.049 367 V CA 2.219 64.572 62.300 0.088 0.000 1.024 367 V CB -1.035 30.829 31.823 0.069 0.000 0.648 367 V HN 0.733 nan 8.190 nan 0.000 0.447 368 G N -0.129 108.715 108.800 0.074 0.000 2.440 368 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 368 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 368 G C 1.562 176.510 174.900 0.079 0.000 1.154 368 G CA 1.034 46.170 45.100 0.060 0.000 0.767 368 G HN 0.487 nan 8.290 nan 0.000 0.552 369 L N 0.668 121.945 121.223 0.090 0.000 2.341 369 L HA 0.143 4.483 4.340 -0.000 0.000 0.214 369 L C 1.382 178.551 176.870 0.499 0.000 1.115 369 L CA -0.204 54.719 54.840 0.139 0.000 0.820 369 L CB -0.182 41.713 42.059 -0.274 0.000 0.944 369 L HN 0.030 nan 8.230 nan 0.000 0.452 370 S N -0.321 115.631 115.700 0.419 0.000 2.584 370 S HA 0.346 4.816 4.470 -0.000 0.000 0.270 370 S C -0.281 174.392 174.600 0.121 0.000 1.346 370 S CA -0.239 58.111 58.200 0.249 0.000 1.018 370 S CB 2.094 65.382 63.200 0.147 0.000 0.899 370 S HN 0.045 nan 8.310 nan 0.000 0.542 371 V N 1.380 121.309 119.914 0.025 0.000 3.077 371 V HA 0.658 4.778 4.120 -0.000 0.000 0.299 371 V C -1.126 174.959 176.094 -0.016 0.000 1.276 371 V CA -0.526 61.786 62.300 0.020 0.000 0.993 371 V CB 2.439 34.284 31.823 0.037 0.000 1.076 371 V HN 0.763 nan 8.190 nan 0.000 0.434 372 S N 5.196 120.894 115.700 -0.005 0.000 2.601 372 S HA 0.502 4.972 4.470 -0.000 0.000 0.312 372 S C 0.836 175.433 174.600 -0.005 0.000 1.107 372 S CA -0.610 57.582 58.200 -0.012 0.000 1.129 372 S CB 0.897 64.091 63.200 -0.010 0.000 0.982 372 S HN 0.804 nan 8.310 nan 0.000 0.469 373 R N 2.347 122.843 120.500 -0.007 0.000 2.115 373 R HA -0.012 4.328 4.340 -0.000 0.000 0.230 373 R C 1.503 177.803 176.300 -0.000 0.000 1.111 373 R CA 1.629 57.729 56.100 0.000 0.000 0.976 373 R CB -0.171 30.131 30.300 0.002 0.000 0.870 373 R HN 0.619 nan 8.270 nan 0.000 0.445 374 V N -4.777 115.134 119.914 -0.005 0.000 3.398 374 V HA 0.396 4.516 4.120 -0.000 0.000 0.298 374 V C 1.339 177.428 176.094 -0.008 0.000 1.496 374 V CA 0.491 62.789 62.300 -0.005 0.000 1.044 374 V CB 0.815 32.635 31.823 -0.005 0.000 0.880 374 V HN 0.155 nan 8.190 nan 0.000 0.443 375 G N 0.773 109.567 108.800 -0.011 0.000 2.650 375 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.214 375 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.214 375 G C 1.358 176.251 174.900 -0.012 0.000 1.136 375 G CA 1.015 46.106 45.100 -0.014 0.000 0.789 375 G HN 0.513 nan 8.290 nan 0.000 0.536 376 S N 1.138 116.834 115.700 -0.006 0.000 2.399 376 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 376 S C 2.701 177.297 174.600 -0.006 0.000 1.022 376 S CA 0.957 59.155 58.200 -0.003 0.000 0.983 376 S CB -0.195 63.006 63.200 0.001 0.000 0.803 376 S HN 0.534 nan 8.310 nan 0.000 0.480 377 A N 0.858 123.674 122.820 -0.007 0.000 2.070 377 A HA 0.296 4.616 4.320 -0.000 0.000 0.220 377 A C 1.729 179.304 177.584 -0.015 0.000 1.159 377 A CA 1.276 53.308 52.037 -0.008 0.000 0.656 377 A CB -0.415 18.581 19.000 -0.006 0.000 0.800 377 A HN 0.475 nan 8.150 nan 0.000 0.453 378 A N -0.793 122.015 122.820 -0.020 0.000 2.708 378 A HA 0.428 4.748 4.320 -0.000 0.000 0.293 378 A C 0.384 177.947 177.584 -0.034 0.000 1.303 378 A CA -0.186 51.831 52.037 -0.033 0.000 0.949 378 A CB -0.252 18.723 19.000 -0.042 0.000 1.121 378 A HN 0.535 nan 8.150 nan 0.000 0.542 379 Q N 1.172 120.959 119.800 -0.022 0.000 2.312 379 Q HA 0.435 4.775 4.340 -0.000 0.000 0.263 379 Q C 0.024 176.016 176.000 -0.013 0.000 0.995 379 Q CA -0.485 55.308 55.803 -0.017 0.000 0.853 379 Q CB 1.270 30.004 28.738 -0.008 0.000 1.300 379 Q HN 0.467 nan 8.270 nan 0.000 0.448 380 T N 0.908 115.455 114.554 -0.011 0.000 2.906 380 T HA -0.005 4.345 4.350 -0.000 0.000 0.320 380 T C 0.939 175.641 174.700 0.004 0.000 1.088 380 T CA -0.227 61.870 62.100 -0.006 0.000 1.120 380 T CB 0.890 69.758 68.868 0.000 0.000 1.000 380 T HN 0.820 nan 8.240 nan 0.000 0.550 381 R N 2.209 122.712 120.500 0.005 0.000 2.091 381 R HA -0.038 4.302 4.340 -0.000 0.000 0.238 381 R C 2.636 178.949 176.300 0.021 0.000 1.136 381 R CA 2.031 58.138 56.100 0.011 0.000 0.959 381 R CB -1.325 28.982 30.300 0.011 0.000 0.856 381 R HN 0.889 nan 8.270 nan 0.000 0.437 382 A N 0.356 123.190 122.820 0.022 0.000 1.873 382 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 382 A C 2.172 179.780 177.584 0.041 0.000 1.193 382 A CA 2.176 54.233 52.037 0.033 0.000 0.629 382 A CB -0.717 18.299 19.000 0.027 0.000 0.826 382 A HN 0.497 nan 8.150 nan 0.000 0.447 383 M N -0.392 119.227 119.600 0.031 0.000 2.175 383 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 383 M C 1.844 178.162 176.300 0.029 0.000 1.063 383 M CA 2.099 57.418 55.300 0.033 0.000 1.119 383 M CB -0.475 32.139 32.600 0.025 0.000 1.377 383 M HN 0.394 nan 8.290 nan 0.000 0.415 384 K N -0.144 120.270 120.400 0.023 0.000 2.032 384 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 384 K C 1.702 178.316 176.600 0.024 0.000 1.048 384 K CA 1.992 58.290 56.287 0.019 0.000 0.927 384 K CB -0.186 32.322 32.500 0.014 0.000 0.712 384 K HN 0.575 nan 8.250 nan 0.000 0.441 385 Q N -0.140 119.680 119.800 0.033 0.000 2.557 385 Q HA -0.076 4.264 4.340 -0.000 0.000 0.217 385 Q C 1.328 177.355 176.000 0.045 0.000 0.978 385 Q CA 0.812 56.639 55.803 0.040 0.000 0.950 385 Q CB 0.237 29.008 28.738 0.055 0.000 0.991 385 Q HN 0.340 nan 8.270 nan 0.000 0.533 386 V N -6.718 113.221 119.914 0.041 0.000 3.193 386 V HA 0.349 4.468 4.120 -0.000 0.000 0.237 386 V C 1.820 177.923 176.094 0.015 0.000 1.447 386 V CA 0.384 62.704 62.300 0.033 0.000 1.227 386 V CB -0.319 31.546 31.823 0.069 0.000 1.040 386 V HN 0.075 nan 8.190 nan 0.000 0.458 387 A N 1.795 124.627 122.820 0.019 0.000 1.969 387 A HA 0.164 4.484 4.320 -0.000 0.000 0.218 387 A C 2.249 179.837 177.584 0.007 0.000 1.169 387 A CA 2.071 54.115 52.037 0.012 0.000 0.635 387 A CB -1.297 17.712 19.000 0.015 0.000 0.810 387 A HN 0.831 nan 8.150 nan 0.000 0.445 388 G N 0.037 108.841 108.800 0.007 0.000 2.459 388 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 388 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 388 G C 1.746 176.645 174.900 -0.002 0.000 1.183 388 G CA 2.170 47.273 45.100 0.004 0.000 0.776 388 G HN 0.643 nan 8.290 nan 0.000 0.552 389 T N -1.137 113.411 114.554 -0.010 0.000 2.904 389 T HA 0.004 4.354 4.350 -0.000 0.000 0.267 389 T C 2.311 176.997 174.700 -0.023 0.000 1.059 389 T CA 1.337 63.425 62.100 -0.020 0.000 1.137 389 T CB -0.183 68.665 68.868 -0.033 0.000 0.879 389 T HN 0.245 nan 8.240 nan 0.000 0.467 390 M N 0.537 120.124 119.600 -0.022 0.000 2.159 390 M HA -0.040 4.440 4.480 -0.000 0.000 0.263 390 M C 2.276 178.569 176.300 -0.012 0.000 1.063 390 M CA 1.679 56.964 55.300 -0.025 0.000 1.110 390 M CB -0.149 32.437 32.600 -0.023 0.000 1.374 390 M HN 0.129 nan 8.290 nan 0.000 0.411 391 K N 0.779 121.179 120.400 -0.001 0.000 2.026 391 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 391 K C 1.639 178.247 176.600 0.014 0.000 1.048 391 K CA 1.802 58.095 56.287 0.010 0.000 0.929 391 K CB -0.698 31.809 32.500 0.013 0.000 0.713 391 K HN 0.477 nan 8.250 nan 0.000 0.439 392 L N 0.466 121.693 121.223 0.008 0.000 2.046 392 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 392 L C 2.295 179.173 176.870 0.014 0.000 1.077 392 L CA 1.644 56.490 54.840 0.010 0.000 0.747 392 L CB -0.461 41.599 42.059 0.002 0.000 0.896 392 L HN 0.272 nan 8.230 nan 0.000 0.432 393 E N 0.137 120.339 120.200 0.003 0.000 2.106 393 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 393 E C 2.309 178.929 176.600 0.033 0.000 0.984 393 E CA 0.956 57.358 56.400 0.004 0.000 0.806 393 E CB -0.101 29.581 29.700 -0.030 0.000 0.750 393 E HN 0.476 nan 8.360 nan 0.000 0.458 394 L N 0.317 121.557 121.223 0.029 0.000 2.240 394 L HA -0.035 4.305 4.340 -0.000 0.000 0.211 394 L C 2.482 179.428 176.870 0.126 0.000 1.106 394 L CA 0.533 55.420 54.840 0.079 0.000 0.793 394 L CB -0.277 41.809 42.059 0.044 0.000 0.927 394 L HN 0.114 nan 8.230 nan 0.000 0.446 395 A N -0.144 122.720 122.820 0.073 0.000 1.933 395 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 395 A C 2.238 179.857 177.584 0.059 0.000 1.175 395 A CA 1.456 53.528 52.037 0.059 0.000 0.628 395 A CB -0.315 18.706 19.000 0.036 0.000 0.814 395 A HN 0.461 nan 8.150 nan 0.000 0.444 396 Q N -2.151 117.689 119.800 0.066 0.000 2.096 396 Q HA -0.116 4.224 4.340 -0.000 0.000 0.197 396 Q C 1.991 178.041 176.000 0.083 0.000 0.964 396 Q CA 1.443 57.279 55.803 0.055 0.000 0.838 396 Q CB -0.365 28.398 28.738 0.042 0.000 0.906 396 Q HN 0.819 nan 8.270 nan 0.000 0.444 397 Y N 1.839 122.131 120.300 -0.014 0.000 2.053 397 Y HA -0.265 4.285 4.550 -0.000 0.000 0.277 397 Y C 2.056 177.950 175.900 -0.011 0.000 1.159 397 Y CA 1.684 59.775 58.100 -0.014 0.000 1.125 397 Y CB -0.143 38.308 38.460 -0.015 0.000 0.969 397 Y HN -0.123 nan 8.280 nan 0.000 0.492 398 R N 0.373 120.868 120.500 -0.008 0.000 2.244 398 R HA -0.244 4.096 4.340 -0.000 0.000 0.252 398 R C 2.065 178.270 176.300 -0.159 0.000 1.177 398 R CA 1.872 57.899 56.100 -0.122 0.000 1.004 398 R CB -0.284 30.023 30.300 0.011 0.000 0.873 398 R HN 0.634 nan 8.270 nan 0.000 0.469 399 E N -0.598 119.533 120.200 -0.115 0.000 2.076 399 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 399 E C 1.923 178.445 176.600 -0.130 0.000 0.979 399 E CA 1.186 57.528 56.400 -0.096 0.000 0.807 399 E CB 0.220 29.890 29.700 -0.051 0.000 0.761 399 E HN 0.133 nan 8.360 nan 0.000 0.454 400 V N 1.555 121.370 119.914 -0.164 0.000 2.591 400 V HA -0.022 4.098 4.120 -0.000 0.000 0.249 400 V C 1.336 177.307 176.094 -0.205 0.000 1.053 400 V CA 0.772 62.982 62.300 -0.150 0.000 1.068 400 V CB -0.564 31.202 31.823 -0.096 0.000 0.689 400 V HN 0.170 nan 8.190 nan 0.000 0.462 411 D N 1.489 121.885 120.400 -0.006 0.000 4.201 411 D HA -0.106 4.534 4.640 -0.000 0.000 0.238 411 D C -0.457 175.839 176.300 -0.007 0.000 1.070 411 D CA 1.227 55.223 54.000 -0.007 0.000 1.208 411 D CB -0.373 40.423 40.800 -0.008 0.000 0.825 411 D HN 1.053 nan 8.370 nan 0.000 0.404 412 A N 2.339 125.154 122.820 -0.007 0.000 2.444 412 A HA 0.623 4.943 4.320 -0.000 0.000 0.287 412 A C 1.312 178.891 177.584 -0.009 0.000 1.195 412 A CA 1.265 53.297 52.037 -0.009 0.000 0.858 412 A CB 0.129 19.122 19.000 -0.011 0.000 1.117 412 A HN 1.653 nan 8.150 nan 0.000 0.521 413 A N 1.817 124.632 122.820 -0.008 0.000 3.560 413 A HA -0.011 4.309 4.320 -0.000 0.000 0.131 413 A C 1.885 179.467 177.584 -0.003 0.000 1.300 413 A CA 1.058 53.090 52.037 -0.008 0.000 1.196 413 A CB -1.428 17.567 19.000 -0.009 0.000 0.851 413 A HN 1.783 nan 8.150 nan 0.000 0.406 414 T N -0.481 114.071 114.554 -0.003 0.000 2.803 414 T HA -0.227 4.123 4.350 -0.000 0.000 0.269 414 T C 1.753 176.459 174.700 0.009 0.000 1.052 414 T CA 2.344 64.444 62.100 0.001 0.000 1.136 414 T CB -0.391 68.473 68.868 -0.007 0.000 0.864 414 T HN 0.634 nan 8.240 nan 0.000 0.467 415 Q N 0.634 120.437 119.800 0.005 0.000 2.224 415 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 415 Q C 2.615 178.621 176.000 0.012 0.000 0.970 415 Q CA 1.368 57.176 55.803 0.009 0.000 0.865 415 Q CB -0.153 28.585 28.738 0.001 0.000 0.922 415 Q HN 0.899 nan 8.270 nan 0.000 0.445 416 Q N 0.127 119.929 119.800 0.004 0.000 2.062 416 Q HA -0.147 4.193 4.340 -0.000 0.000 0.196 416 Q C 2.056 178.061 176.000 0.009 0.000 0.967 416 Q CA 1.035 56.835 55.803 -0.005 0.000 0.832 416 Q CB -0.521 28.206 28.738 -0.017 0.000 0.899 416 Q HN 0.456 nan 8.270 nan 0.000 0.442 417 L N 0.792 122.030 121.223 0.025 0.000 2.051 417 L HA -0.230 4.110 4.340 -0.000 0.000 0.214 417 L C 2.765 179.711 176.870 0.127 0.000 1.076 417 L CA 1.210 56.085 54.840 0.057 0.000 0.758 417 L CB -0.698 41.396 42.059 0.058 0.000 0.890 417 L HN 0.219 nan 8.230 nan 0.000 0.433 418 L N -1.076 120.225 121.223 0.130 0.000 2.042 418 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 418 L C 2.849 179.806 176.870 0.145 0.000 1.076 418 L CA 1.202 56.173 54.840 0.218 0.000 0.749 418 L CB -0.431 41.697 42.059 0.115 0.000 0.893 418 L HN 0.213 nan 8.230 nan 0.000 0.432 419 S N -0.540 115.188 115.700 0.047 0.000 2.348 419 S HA -0.230 4.240 4.470 -0.000 0.000 0.221 419 S C 2.099 176.659 174.600 -0.066 0.000 1.033 419 S CA 1.488 59.681 58.200 -0.011 0.000 1.010 419 S CB -0.110 63.075 63.200 -0.024 0.000 0.891 419 S HN 0.242 nan 8.310 nan 0.000 0.442 420 R N 0.975 121.434 120.500 -0.069 0.000 2.091 420 R HA -0.018 4.322 4.340 -0.000 0.000 0.238 420 R C 2.246 178.426 176.300 -0.201 0.000 1.136 420 R CA 2.027 58.059 56.100 -0.114 0.000 0.959 420 R CB -1.335 28.914 30.300 -0.086 0.000 0.856 420 R HN 0.415 nan 8.270 nan 0.000 0.437 421 G N -0.686 107.952 108.800 -0.270 0.000 2.440 421 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 421 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 421 G C 1.403 175.725 174.900 -0.963 0.000 1.154 421 G CA 1.065 45.681 45.100 -0.807 0.000 0.767 421 G HN 0.265 nan 8.290 nan 0.000 0.552 422 V N 0.773 120.363 119.914 -0.540 0.000 2.515 422 V HA -0.094 4.026 4.120 -0.000 0.000 0.250 422 V C 2.922 178.894 176.094 -0.203 0.000 1.058 422 V CA 1.539 63.672 62.300 -0.278 0.000 1.064 422 V CB -0.353 31.429 31.823 -0.070 0.000 0.675 422 V HN 0.259 nan 8.190 nan 0.000 0.461 423 R N -0.177 120.209 120.500 -0.190 0.000 2.075 423 R HA 0.100 4.440 4.340 -0.000 0.000 0.226 423 R C 2.253 178.465 176.300 -0.147 0.000 1.114 423 R CA 0.935 56.947 56.100 -0.147 0.000 0.972 423 R CB -0.709 29.504 30.300 -0.145 0.000 0.869 423 R HN 0.412 nan 8.270 nan 0.000 0.437 424 L N 0.574 121.687 121.223 -0.183 0.000 2.042 424 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 424 L C 2.319 179.105 176.870 -0.140 0.000 1.076 424 L CA 1.585 56.332 54.840 -0.154 0.000 0.749 424 L CB -0.802 41.154 42.059 -0.172 0.000 0.893 424 L HN 0.186 nan 8.230 nan 0.000 0.432 425 T N -1.108 113.329 114.554 -0.196 0.000 2.746 425 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 425 T C 1.792 176.446 174.700 -0.077 0.000 1.039 425 T CA 1.071 63.093 62.100 -0.129 0.000 1.142 425 T CB -0.125 68.654 68.868 -0.148 0.000 0.866 425 T HN 0.263 nan 8.240 nan 0.000 0.444 426 E N 1.080 121.233 120.200 -0.078 0.000 2.110 426 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 426 E C 2.260 178.842 176.600 -0.030 0.000 0.988 426 E CA 0.648 57.022 56.400 -0.044 0.000 0.804 426 E CB -0.413 29.264 29.700 -0.038 0.000 0.745 426 E HN 0.470 nan 8.360 nan 0.000 0.458 427 L N 0.275 121.474 121.223 -0.039 0.000 2.191 427 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 427 L C 2.276 179.139 176.870 -0.012 0.000 1.103 427 L CA 0.620 55.449 54.840 -0.019 0.000 0.769 427 L CB -0.252 41.790 42.059 -0.028 0.000 0.908 427 L HN 0.109 nan 8.230 nan 0.000 0.438 428 L N -0.681 120.528 121.223 -0.023 0.000 2.554 428 L HA -0.028 4.312 4.340 -0.000 0.000 0.226 428 L C 0.863 177.725 176.870 -0.013 0.000 1.137 428 L CA 0.243 55.075 54.840 -0.013 0.000 0.863 428 L CB -0.255 41.796 42.059 -0.014 0.000 0.985 428 L HN 0.133 nan 8.230 nan 0.000 0.451 429 K N 1.079 121.468 120.400 -0.019 0.000 2.295 429 K HA 0.251 4.571 4.320 -0.000 0.000 0.270 429 K C -0.159 176.429 176.600 -0.021 0.000 1.011 429 K CA 0.149 56.420 56.287 -0.027 0.000 0.953 429 K CB 0.840 33.322 32.500 -0.031 0.000 0.956 429 K HN -0.036 nan 8.250 nan 0.000 0.477 430 Q N 0.467 120.248 119.800 -0.033 0.000 2.386 430 Q HA 0.341 4.681 4.340 -0.000 0.000 0.274 430 Q C -0.891 175.080 176.000 -0.048 0.000 1.011 430 Q CA -0.635 55.151 55.803 -0.029 0.000 0.867 430 Q CB 1.784 30.510 28.738 -0.021 0.000 1.409 430 Q HN 0.780 nan 8.270 nan 0.000 0.395 431 G N 1.432 110.206 108.800 -0.044 0.000 2.563 431 G HA2 0.303 4.263 3.960 -0.000 0.000 0.283 431 G HA3 0.303 4.263 3.960 -0.000 0.000 0.283 431 G C -0.643 174.189 174.900 -0.115 0.000 1.309 431 G CA -0.243 44.819 45.100 -0.064 0.000 1.022 431 G HN 0.595 nan 8.290 nan 0.000 0.501 432 Q N -1.703 117.975 119.800 -0.204 0.000 2.212 432 Q HA 0.346 4.686 4.340 -0.000 0.000 0.238 432 Q C -0.454 175.297 176.000 -0.414 0.000 0.955 432 Q CA -0.551 54.969 55.803 -0.473 0.000 0.906 432 Q CB 1.110 29.315 28.738 -0.888 0.000 1.215 432 Q HN 0.618 nan 8.270 nan 0.000 0.478 433 Y N -1.520 118.786 120.300 0.010 0.000 4.753 433 Y HA -0.274 4.276 4.550 -0.000 0.000 0.232 433 Y C 0.208 176.106 175.900 -0.003 0.000 1.029 433 Y CA 0.374 58.475 58.100 0.001 0.000 1.996 433 Y CB -1.661 36.797 38.460 -0.004 0.000 1.602 433 Y HN 0.300 nan 8.280 nan 0.000 0.621 434 S N 0.732 116.465 115.700 0.055 0.000 2.139 434 S HA 0.244 4.714 4.470 -0.000 0.000 0.183 434 S C -2.284 172.323 174.600 0.011 0.000 1.473 434 S CA -0.961 57.262 58.200 0.037 0.000 1.263 434 S CB 0.615 63.832 63.200 0.028 0.000 1.170 434 S HN 0.058 nan 8.310 nan 0.000 0.430 435 P HA 0.054 nan 4.420 nan 0.000 0.262 435 P C -0.516 176.779 177.300 -0.009 0.000 1.182 435 P CA 0.290 63.393 63.100 0.006 0.000 0.761 435 P CB 0.319 32.029 31.700 0.017 0.000 0.795 436 M N 2.091 121.687 119.600 -0.007 0.000 2.318 436 M HA 0.461 4.941 4.480 -0.000 0.000 0.347 436 M C 0.678 176.967 176.300 -0.018 0.000 1.175 436 M CA -0.824 54.467 55.300 -0.015 0.000 1.075 436 M CB 1.637 34.235 32.600 -0.003 0.000 1.614 436 M HN 0.316 nan 8.290 nan 0.000 0.456 437 A N 1.973 124.768 122.820 -0.042 0.000 2.531 437 A HA 0.078 4.398 4.320 -0.000 0.000 0.236 437 A C 1.051 178.636 177.584 0.001 0.000 1.062 437 A CA -0.316 51.697 52.037 -0.040 0.000 0.760 437 A CB -0.003 18.955 19.000 -0.070 0.000 0.995 437 A HN 0.950 nan 8.150 nan 0.000 0.501 438 I N 1.228 121.819 120.570 0.035 0.000 2.151 438 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 438 I C 2.544 178.676 176.117 0.025 0.000 1.080 438 I CA 2.514 63.838 61.300 0.041 0.000 1.339 438 I CB -0.350 37.686 38.000 0.060 0.000 1.039 438 I HN 0.866 nan 8.210 nan 0.000 0.409 439 E N 0.521 120.728 120.200 0.012 0.000 2.153 439 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 439 E C 1.768 178.366 176.600 -0.004 0.000 0.988 439 E CA 1.695 58.096 56.400 0.001 0.000 0.811 439 E CB -0.753 28.939 29.700 -0.013 0.000 0.746 439 E HN 0.677 nan 8.360 nan 0.000 0.466 440 E N 0.836 121.030 120.200 -0.010 0.000 2.107 440 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 440 E C 2.314 178.932 176.600 0.030 0.000 0.982 440 E CA 1.055 57.451 56.400 -0.007 0.000 0.809 440 E CB -0.078 29.606 29.700 -0.026 0.000 0.756 440 E HN 0.411 nan 8.360 nan 0.000 0.459 441 Q N 0.371 120.189 119.800 0.030 0.000 2.084 441 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 441 Q C 2.391 178.429 176.000 0.062 0.000 0.978 441 Q CA 1.308 57.136 55.803 0.043 0.000 0.844 441 Q CB -0.047 28.711 28.738 0.034 0.000 0.898 441 Q HN 0.149 nan 8.270 nan 0.000 0.426 442 V N 1.106 121.056 119.914 0.059 0.000 2.295 442 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 442 V C 2.310 178.479 176.094 0.124 0.000 1.049 442 V CA 1.818 64.167 62.300 0.083 0.000 1.024 442 V CB -1.015 30.847 31.823 0.064 0.000 0.648 442 V HN 0.411 nan 8.190 nan 0.000 0.447 443 A N -0.394 122.485 122.820 0.098 0.000 1.940 443 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 443 A C 2.379 180.117 177.584 0.256 0.000 1.176 443 A CA 2.226 54.351 52.037 0.147 0.000 0.631 443 A CB -0.607 18.457 19.000 0.108 0.000 0.814 443 A HN 0.357 nan 8.150 nan 0.000 0.446 444 V N 0.194 120.225 119.914 0.196 0.000 2.346 444 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 444 V C 2.377 178.526 176.094 0.091 0.000 1.037 444 V CA 1.480 63.869 62.300 0.149 0.000 1.029 444 V CB -0.551 31.341 31.823 0.115 0.000 0.663 444 V HN 0.490 nan 8.190 nan 0.000 0.454 445 I N -0.468 120.158 120.570 0.093 0.000 2.286 445 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 445 I C 2.317 178.481 176.117 0.078 0.000 1.115 445 I CA 1.578 62.914 61.300 0.061 0.000 1.392 445 I CB -1.391 36.640 38.000 0.052 0.000 1.065 445 I HN 0.398 nan 8.210 nan 0.000 0.418 446 Y N 2.126 122.430 120.300 0.006 0.000 2.081 446 Y HA -0.339 4.211 4.550 -0.000 0.000 0.280 446 Y C 2.659 178.562 175.900 0.006 0.000 1.163 446 Y CA 2.460 60.567 58.100 0.012 0.000 1.135 446 Y CB -0.283 38.187 38.460 0.018 0.000 0.970 446 Y HN 0.145 nan 8.280 nan 0.000 0.498 447 A N 0.137 123.056 122.820 0.165 0.000 1.903 447 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 447 A C 2.448 180.034 177.584 0.003 0.000 1.191 447 A CA 2.223 54.274 52.037 0.023 0.000 0.638 447 A CB -1.814 17.058 19.000 -0.213 0.000 0.823 447 A HN 0.651 nan 8.150 nan 0.000 0.451 448 G N -0.698 108.068 108.800 -0.057 0.000 2.394 448 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.214 448 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.214 448 G C 1.521 176.354 174.900 -0.112 0.000 1.176 448 G CA 1.704 46.746 45.100 -0.097 0.000 0.786 448 G HN 1.064 nan 8.290 nan 0.000 0.533 449 V N -2.142 117.701 119.914 -0.118 0.000 3.217 449 V HA 0.247 4.367 4.120 -0.000 0.000 0.264 449 V C 2.128 178.111 176.094 -0.185 0.000 1.135 449 V CA 0.768 62.986 62.300 -0.137 0.000 1.142 449 V CB -0.254 31.500 31.823 -0.115 0.000 0.754 449 V HN 0.070 nan 8.190 nan 0.000 0.484 450 R N 0.974 121.338 120.500 -0.228 0.000 2.317 450 R HA 0.354 4.694 4.340 -0.000 0.000 0.208 450 R C 1.814 177.917 176.300 -0.328 0.000 0.914 450 R CA 0.460 56.403 56.100 -0.261 0.000 1.060 450 R CB -0.108 30.013 30.300 -0.297 0.000 1.015 450 R HN 0.794 nan 8.270 nan 0.000 0.498 451 G N 0.296 108.937 108.800 -0.264 0.000 2.195 451 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.246 451 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.246 451 G C 0.500 175.190 174.900 -0.350 0.000 0.984 451 G CA 0.175 45.089 45.100 -0.310 0.000 0.633 451 G HN 0.402 nan 8.290 nan 0.000 0.525 452 Y N 0.325 120.514 120.300 -0.186 0.000 2.716 452 Y HA 0.330 4.880 4.550 -0.000 0.000 0.302 452 Y C 2.434 178.120 175.900 -0.356 0.000 1.160 452 Y CA 1.191 59.165 58.100 -0.210 0.000 1.362 452 Y CB -0.068 38.294 38.460 -0.163 0.000 0.988 452 Y HN 0.393 nan 8.280 nan 0.000 0.546 453 L N -1.591 119.483 121.223 -0.247 0.000 2.781 453 L HA 0.068 4.408 4.340 -0.000 0.000 0.245 453 L C 1.295 178.024 176.870 -0.234 0.000 1.118 453 L CA -0.046 54.581 54.840 -0.355 0.000 0.918 453 L CB 0.139 41.991 42.059 -0.344 0.000 1.246 453 L HN 0.002 nan 8.230 nan 0.000 0.526 454 D N 1.398 121.687 120.400 -0.185 0.000 2.106 454 D HA -0.236 4.404 4.640 -0.000 0.000 0.191 454 D C 1.466 177.702 176.300 -0.108 0.000 0.997 454 D CA 1.415 55.333 54.000 -0.137 0.000 0.834 454 D CB 0.022 40.744 40.800 -0.129 0.000 0.956 454 D HN 0.088 nan 8.370 nan 0.000 0.448 455 K N 0.655 120.993 120.400 -0.104 0.000 3.000 455 K HA 0.184 4.504 4.320 -0.000 0.000 0.265 455 K C -0.635 175.933 176.600 -0.053 0.000 1.260 455 K CA 0.050 56.298 56.287 -0.064 0.000 1.209 455 K CB -0.565 31.907 32.500 -0.048 0.000 1.484 455 K HN 0.065 nan 8.250 nan 0.000 0.283 456 L N 0.923 122.107 121.223 -0.064 0.000 2.424 456 L HA 0.302 4.642 4.340 -0.000 0.000 0.258 456 L C -0.800 176.063 176.870 -0.012 0.000 0.995 456 L CA -1.174 53.645 54.840 -0.035 0.000 0.821 456 L CB 2.260 44.254 42.059 -0.109 0.000 1.383 456 L HN 0.181 nan 8.230 nan 0.000 0.410 457 E N 2.932 123.151 120.200 0.032 0.000 2.265 457 E HA 0.128 4.478 4.350 -0.000 0.000 0.272 457 E C -1.774 174.840 176.600 0.023 0.000 1.067 457 E CA -1.435 54.983 56.400 0.029 0.000 0.900 457 E CB 1.145 30.875 29.700 0.050 0.000 1.017 457 E HN 0.169 nan 8.360 nan 0.000 0.431 458 P HA -0.313 nan 4.420 nan 0.000 0.222 458 P C 1.101 178.411 177.300 0.017 0.000 1.154 458 P CA 1.531 64.629 63.100 -0.003 0.000 0.874 458 P CB 0.142 31.842 31.700 -0.000 0.000 0.787 459 S N -1.791 113.929 115.700 0.033 0.000 2.481 459 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 459 S C 1.481 176.129 174.600 0.080 0.000 0.996 459 S CA 0.926 59.154 58.200 0.047 0.000 0.942 459 S CB -0.574 62.652 63.200 0.043 0.000 0.768 459 S HN 0.040 nan 8.310 nan 0.000 0.520 460 K N 0.642 121.105 120.400 0.106 0.000 2.358 460 K HA 0.241 4.561 4.320 -0.000 0.000 0.200 460 K C 1.342 178.065 176.600 0.205 0.000 1.030 460 K CA -0.155 56.250 56.287 0.196 0.000 1.097 460 K CB 0.090 32.757 32.500 0.278 0.000 0.862 460 K HN 0.371 nan 8.250 nan 0.000 0.534 461 I N 1.287 121.917 120.570 0.100 0.000 2.163 461 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 461 I C 2.004 178.207 176.117 0.144 0.000 1.085 461 I CA 1.585 62.929 61.300 0.073 0.000 1.347 461 I CB -1.652 36.345 38.000 -0.004 0.000 1.044 461 I HN 0.050 nan 8.210 nan 0.000 0.408 462 T N 1.128 115.749 114.554 0.112 0.000 2.652 462 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 462 T C 1.997 176.785 174.700 0.146 0.000 1.039 462 T CA 1.847 64.009 62.100 0.105 0.000 1.153 462 T CB -0.221 68.688 68.868 0.069 0.000 0.863 462 T HN 0.308 nan 8.240 nan 0.000 0.428 463 K N 0.051 120.565 120.400 0.191 0.000 2.063 463 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 463 K C 2.134 178.920 176.600 0.309 0.000 1.048 463 K CA 1.437 57.873 56.287 0.248 0.000 0.928 463 K CB -0.401 32.276 32.500 0.295 0.000 0.713 463 K HN 0.321 nan 8.250 nan 0.000 0.442 464 F N 2.274 122.312 119.950 0.146 0.000 2.043 464 F HA -0.274 4.253 4.527 -0.000 0.000 0.297 464 F C 2.390 178.158 175.800 -0.052 0.000 1.121 464 F CA 2.315 60.187 58.000 -0.213 0.000 1.199 464 F CB -0.390 38.320 39.000 -0.484 0.000 0.968 464 F HN 0.215 nan 8.300 nan 0.000 0.478 465 E N 0.130 120.428 120.200 0.162 0.000 2.085 465 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 465 E C 1.871 178.477 176.600 0.009 0.000 0.994 465 E CA 1.923 58.377 56.400 0.090 0.000 0.801 465 E CB -0.371 29.404 29.700 0.125 0.000 0.743 465 E HN 0.645 nan 8.360 nan 0.000 0.453 466 N N 0.254 118.973 118.700 0.032 0.000 2.058 466 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 466 N C 1.916 177.416 175.510 -0.017 0.000 1.037 466 N CA 1.380 54.441 53.050 0.017 0.000 0.848 466 N CB -0.255 38.263 38.487 0.051 0.000 1.021 466 N HN 0.190 nan 8.380 nan 0.000 0.422 467 A N 0.793 123.629 122.820 0.027 0.000 1.908 467 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 467 A C 2.029 179.485 177.584 -0.213 0.000 1.181 467 A CA 1.245 53.336 52.037 0.090 0.000 0.627 467 A CB -1.030 18.203 19.000 0.388 0.000 0.818 467 A HN 0.420 nan 8.150 nan 0.000 0.445 468 F N -0.132 119.333 119.950 -0.808 0.000 2.134 468 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 468 F C 1.814 177.255 175.800 -0.598 0.000 1.097 468 F CA 1.663 58.883 58.000 -1.299 0.000 1.264 468 F CB -0.217 37.994 39.000 -1.315 0.000 1.001 468 F HN 0.186 nan 8.300 nan 0.000 0.479 469 L N 0.356 121.374 121.223 -0.341 0.000 2.093 469 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 469 L C 2.604 179.319 176.870 -0.258 0.000 1.085 469 L CA 2.140 56.808 54.840 -0.287 0.000 0.755 469 L CB -1.202 40.798 42.059 -0.098 0.000 0.904 469 L HN 0.278 nan 8.230 nan 0.000 0.435 470 S N -2.201 113.394 115.700 -0.175 0.000 2.402 470 S HA -0.245 4.225 4.470 -0.000 0.000 0.229 470 S C 1.934 176.454 174.600 -0.134 0.000 1.021 470 S CA 1.151 59.283 58.200 -0.113 0.000 0.974 470 S CB -0.804 62.373 63.200 -0.039 0.000 0.800 470 S HN 0.659 nan 8.310 nan 0.000 0.484 471 H N 2.427 121.329 119.070 -0.279 0.000 2.256 471 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 471 H C 2.261 177.431 175.328 -0.264 0.000 1.071 471 H CA 2.405 58.307 56.048 -0.244 0.000 1.280 471 H CB -0.514 29.037 29.762 -0.353 0.000 1.370 471 H HN 0.230 nan 8.280 nan 0.000 0.490 472 V N -0.659 119.002 119.914 -0.422 0.000 2.392 472 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 472 V C 2.389 178.337 176.094 -0.243 0.000 1.059 472 V CA 2.095 64.180 62.300 -0.357 0.000 1.051 472 V CB -0.948 30.536 31.823 -0.566 0.000 0.658 472 V HN 0.487 nan 8.190 nan 0.000 0.455 473 I N 1.846 122.268 120.570 -0.245 0.000 2.226 473 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 473 I C 2.905 178.922 176.117 -0.166 0.000 1.100 473 I CA 2.043 63.239 61.300 -0.173 0.000 1.374 473 I CB -0.338 37.576 38.000 -0.144 0.000 1.057 473 I HN 0.623 nan 8.210 nan 0.000 0.413 474 S N 0.163 115.745 115.700 -0.196 0.000 2.341 474 S HA -0.114 4.356 4.470 -0.000 0.000 0.216 474 S C 1.849 176.304 174.600 -0.241 0.000 1.034 474 S CA 0.467 58.556 58.200 -0.186 0.000 0.964 474 S CB -0.188 62.916 63.200 -0.160 0.000 0.882 474 S HN 0.327 nan 8.310 nan 0.000 0.469 475 Q N 0.309 119.892 119.800 -0.363 0.000 2.403 475 Q HA 0.206 4.546 4.340 -0.000 0.000 0.203 475 Q C 0.095 175.681 176.000 -0.690 0.000 0.932 475 Q CA 0.525 56.031 55.803 -0.495 0.000 0.945 475 Q CB 0.027 28.390 28.738 -0.624 0.000 1.045 475 Q HN 0.761 nan 8.270 nan 0.000 0.511 476 H N -0.572 118.349 119.070 -0.248 0.000 2.885 476 H HA 0.186 4.742 4.556 -0.000 0.000 0.237 476 H C 0.884 176.122 175.328 -0.150 0.000 1.229 476 H CA -0.217 55.724 56.048 -0.178 0.000 0.947 476 H CB 0.917 30.570 29.762 -0.182 0.000 2.223 476 H HN 0.079 nan 8.280 nan 0.000 0.628 477 Q N 1.087 120.833 119.800 -0.090 0.000 2.062 477 Q HA -0.158 4.182 4.340 -0.000 0.000 0.209 477 Q C 2.350 178.318 176.000 -0.054 0.000 0.996 477 Q CA 1.731 57.487 55.803 -0.078 0.000 0.859 477 Q CB -0.213 28.472 28.738 -0.089 0.000 0.920 477 Q HN 0.527 nan 8.270 nan 0.000 0.415 478 A N 1.411 124.200 122.820 -0.052 0.000 1.903 478 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 478 A C 2.085 179.656 177.584 -0.022 0.000 1.191 478 A CA 1.694 53.710 52.037 -0.036 0.000 0.638 478 A CB -0.925 18.054 19.000 -0.035 0.000 0.823 478 A HN 0.417 nan 8.150 nan 0.000 0.451 479 L N -0.406 120.814 121.223 -0.005 0.000 2.012 479 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 479 L C 2.448 179.296 176.870 -0.037 0.000 1.073 479 L CA 2.069 56.900 54.840 -0.015 0.000 0.748 479 L CB -0.826 41.228 42.059 -0.008 0.000 0.891 479 L HN 0.493 nan 8.230 nan 0.000 0.431 480 L N -0.381 120.816 121.223 -0.044 0.000 2.017 480 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 480 L C 2.665 179.511 176.870 -0.039 0.000 1.073 480 L CA 1.306 56.115 54.840 -0.052 0.000 0.745 480 L CB -1.203 40.817 42.059 -0.066 0.000 0.894 480 L HN 0.359 nan 8.230 nan 0.000 0.432 481 G N 0.027 108.804 108.800 -0.037 0.000 2.450 481 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 481 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 481 G C 1.660 176.547 174.900 -0.022 0.000 1.130 481 G CA 0.756 45.837 45.100 -0.030 0.000 0.760 481 G HN 0.341 nan 8.290 nan 0.000 0.557 482 K N 0.050 120.437 120.400 -0.022 0.000 1.984 482 K HA 0.077 4.397 4.320 -0.000 0.000 0.209 482 K C 2.400 178.992 176.600 -0.015 0.000 1.046 482 K CA 1.104 57.381 56.287 -0.017 0.000 0.934 482 K CB -0.301 32.189 32.500 -0.018 0.000 0.717 482 K HN 0.282 nan 8.250 nan 0.000 0.438 483 I N 1.004 121.562 120.570 -0.020 0.000 2.264 483 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 483 I C 2.744 178.858 176.117 -0.005 0.000 1.111 483 I CA 1.207 62.499 61.300 -0.014 0.000 1.382 483 I CB -0.297 37.690 38.000 -0.023 0.000 1.060 483 I HN 0.205 nan 8.210 nan 0.000 0.418 484 R N 0.495 120.991 120.500 -0.007 0.000 2.066 484 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 484 R C 2.329 178.633 176.300 0.006 0.000 1.131 484 R CA 2.066 58.169 56.100 0.004 0.000 0.955 484 R CB -0.253 30.047 30.300 -0.001 0.000 0.851 484 R HN 0.227 nan 8.270 nan 0.000 0.432 485 T N 0.968 115.522 114.554 -0.000 0.000 2.701 485 T HA -0.095 4.255 4.350 -0.000 0.000 0.263 485 T C 1.120 175.820 174.700 0.000 0.000 1.040 485 T CA 1.556 63.656 62.100 0.000 0.000 1.147 485 T CB -0.286 68.580 68.868 -0.004 0.000 0.865 485 T HN 0.304 nan 8.240 nan 0.000 0.426 486 D N 0.223 120.622 120.400 -0.001 0.000 2.219 486 D HA 0.055 4.695 4.640 -0.000 0.000 0.205 486 D C 1.774 178.075 176.300 0.002 0.000 0.970 486 D CA 1.149 55.149 54.000 0.000 0.000 0.851 486 D CB -0.495 40.306 40.800 0.000 0.000 0.943 486 D HN 0.545 nan 8.370 nan 0.000 0.488 487 G N 1.001 109.803 108.800 0.003 0.000 2.162 487 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 487 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 487 G C 0.329 175.234 174.900 0.008 0.000 0.976 487 G CA 1.138 46.240 45.100 0.004 0.000 0.655 487 G HN 0.577 nan 8.290 nan 0.000 0.533 488 K N -1.339 119.067 120.400 0.009 0.000 2.469 488 K HA 0.812 5.132 4.320 -0.000 0.000 0.268 488 K C -0.759 175.849 176.600 0.014 0.000 1.027 488 K CA -1.401 54.895 56.287 0.014 0.000 0.893 488 K CB 1.280 33.789 32.500 0.015 0.000 1.460 488 K HN 0.102 nan 8.250 nan 0.000 0.449 489 I N 3.006 123.590 120.570 0.023 0.000 2.337 489 I HA 0.138 4.308 4.170 -0.000 0.000 0.285 489 I C -0.035 176.096 176.117 0.024 0.000 1.041 489 I CA -0.573 60.739 61.300 0.020 0.000 1.199 489 I CB 1.398 39.425 38.000 0.046 0.000 1.370 489 I HN 0.783 nan 8.210 nan 0.000 0.470 490 S N 3.786 119.494 115.700 0.013 0.000 2.598 490 S HA 0.108 4.578 4.470 -0.000 0.000 0.256 490 S C 1.080 175.694 174.600 0.024 0.000 1.350 490 S CA -0.487 57.723 58.200 0.017 0.000 0.984 490 S CB 0.896 64.102 63.200 0.010 0.000 0.930 490 S HN 0.619 nan 8.310 nan 0.000 0.577 491 E N 0.401 120.617 120.200 0.026 0.000 2.160 491 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 491 E C 1.980 178.598 176.600 0.029 0.000 0.991 491 E CA 1.293 57.713 56.400 0.032 0.000 0.810 491 E CB -0.098 29.619 29.700 0.028 0.000 0.742 491 E HN 0.779 nan 8.360 nan 0.000 0.466 492 E N 0.196 120.408 120.200 0.019 0.000 2.046 492 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 492 E C 2.128 178.730 176.600 0.003 0.000 0.982 492 E CA 0.793 57.201 56.400 0.014 0.000 0.800 492 E CB 0.147 29.853 29.700 0.009 0.000 0.756 492 E HN 0.027 nan 8.360 nan 0.000 0.449 493 S N 0.955 116.652 115.700 -0.006 0.000 2.400 493 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 493 S C 1.503 176.067 174.600 -0.060 0.000 1.025 493 S CA 1.411 59.590 58.200 -0.035 0.000 0.993 493 S CB -0.261 62.917 63.200 -0.037 0.000 0.808 493 S HN 0.335 nan 8.310 nan 0.000 0.478 494 D N 1.490 121.885 120.400 -0.009 0.000 2.097 494 D HA 0.011 4.651 4.640 -0.000 0.000 0.197 494 D C 2.020 178.351 176.300 0.051 0.000 0.984 494 D CA 1.297 55.321 54.000 0.039 0.000 0.826 494 D CB -0.368 40.504 40.800 0.120 0.000 0.973 494 D HN 0.277 nan 8.370 nan 0.000 0.460 495 A N 0.624 123.472 122.820 0.047 0.000 1.858 495 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 495 A C 2.146 179.744 177.584 0.022 0.000 1.190 495 A CA 2.105 54.173 52.037 0.052 0.000 0.617 495 A CB -0.782 18.244 19.000 0.045 0.000 0.827 495 A HN 0.287 nan 8.150 nan 0.000 0.443 496 K N -0.904 119.493 120.400 -0.006 0.000 2.015 496 K HA -0.214 4.106 4.320 -0.000 0.000 0.216 496 K C 1.874 178.425 176.600 -0.081 0.000 1.052 496 K CA 1.900 58.170 56.287 -0.028 0.000 0.937 496 K CB -0.404 32.078 32.500 -0.029 0.000 0.719 496 K HN 0.274 nan 8.250 nan 0.000 0.446 497 L N 1.933 123.063 121.223 -0.155 0.000 2.079 497 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 497 L C 2.212 178.962 176.870 -0.200 0.000 1.081 497 L CA 1.912 56.581 54.840 -0.284 0.000 0.752 497 L CB -0.796 40.901 42.059 -0.603 0.000 0.896 497 L HN 0.267 nan 8.230 nan 0.000 0.433 498 K N -0.637 119.739 120.400 -0.040 0.000 2.103 498 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 498 K C 2.116 178.737 176.600 0.036 0.000 1.048 498 K CA 1.740 58.086 56.287 0.099 0.000 0.930 498 K CB -0.153 32.475 32.500 0.214 0.000 0.716 498 K HN 0.515 nan 8.250 nan 0.000 0.444 499 E N 0.564 120.775 120.200 0.019 0.000 2.028 499 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 499 E C 2.035 178.641 176.600 0.010 0.000 0.984 499 E CA 1.280 57.699 56.400 0.033 0.000 0.800 499 E CB -0.100 29.621 29.700 0.034 0.000 0.758 499 E HN 0.355 nan 8.360 nan 0.000 0.448 500 I N 0.993 121.527 120.570 -0.061 0.000 2.118 500 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 500 I C 2.536 178.682 176.117 0.049 0.000 1.070 500 I CA 1.133 62.379 61.300 -0.090 0.000 1.327 500 I CB -0.355 37.449 38.000 -0.327 0.000 1.034 500 I HN 0.071 nan 8.210 nan 0.000 0.405 501 V N 0.143 120.057 119.914 -0.001 0.000 2.287 501 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 501 V C 2.473 178.572 176.094 0.009 0.000 1.053 501 V CA 2.497 64.774 62.300 -0.037 0.000 1.027 501 V CB -1.147 30.320 31.823 -0.593 0.000 0.646 501 V HN 0.468 nan 8.190 nan 0.000 0.447 502 T N 0.518 115.061 114.554 -0.019 0.000 2.652 502 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 502 T C 1.665 176.457 174.700 0.154 0.000 1.039 502 T CA 2.269 64.469 62.100 0.166 0.000 1.153 502 T CB -0.561 68.422 68.868 0.193 0.000 0.863 502 T HN 0.627 nan 8.240 nan 0.000 0.428 503 N N -0.220 118.553 118.700 0.121 0.000 2.453 503 N HA 0.012 4.752 4.740 -0.000 0.000 0.183 503 N C 1.403 176.972 175.510 0.098 0.000 1.041 503 N CA 0.427 53.538 53.050 0.103 0.000 0.900 503 N CB -0.114 38.432 38.487 0.097 0.000 0.961 503 N HN 0.297 nan 8.380 nan 0.000 0.443 504 F N 0.943 120.899 119.950 0.010 0.000 2.219 504 F HA 0.110 4.637 4.527 -0.000 0.000 0.294 504 F C 1.851 177.731 175.800 0.134 0.000 1.086 504 F CA 0.314 58.302 58.000 -0.019 0.000 1.330 504 F CB -0.072 38.911 39.000 -0.028 0.000 1.047 504 F HN -0.078 nan 8.300 nan 0.000 0.495 505 L N 0.547 121.946 121.223 0.294 0.000 2.201 505 L HA 0.025 4.365 4.340 -0.000 0.000 0.212 505 L C 2.283 179.255 176.870 0.170 0.000 1.105 505 L CA 1.809 56.834 54.840 0.309 0.000 0.775 505 L CB -1.155 41.078 42.059 0.290 0.000 0.913 505 L HN 0.148 nan 8.230 nan 0.000 0.440 506 A N -0.378 122.498 122.820 0.094 0.000 1.845 506 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 506 A C 2.284 179.871 177.584 0.004 0.000 1.195 506 A CA 1.471 53.541 52.037 0.054 0.000 0.616 506 A CB -1.618 17.409 19.000 0.044 0.000 0.832 506 A HN 0.471 nan 8.150 nan 0.000 0.443 507 G N -1.641 107.113 108.800 -0.075 0.000 2.559 507 G HA2 0.021 3.981 3.960 -0.000 0.000 0.216 507 G HA3 0.021 3.981 3.960 -0.000 0.000 0.216 507 G C 0.473 175.267 174.900 -0.177 0.000 1.126 507 G CA 0.139 45.159 45.100 -0.133 0.000 0.778 507 G HN 0.363 nan 8.290 nan 0.000 0.543 508 F N 2.135 121.871 119.950 -0.356 0.000 2.546 508 F HA 0.134 4.661 4.527 -0.000 0.000 0.388 508 F C 1.330 177.071 175.800 -0.099 0.000 1.051 508 F CA -0.788 57.041 58.000 -0.284 0.000 1.130 508 F CB 0.679 39.647 39.000 -0.053 0.000 1.044 508 F HN 0.009 nan 8.300 nan 0.000 0.553 509 E N 4.955 124.838 120.200 -0.529 0.000 2.021 509 E HA 0.016 4.366 4.350 -0.000 0.000 0.189 509 E C 1.569 177.808 176.600 -0.602 0.000 0.980 509 E CA 0.923 57.066 56.400 -0.429 0.000 0.803 509 E CB -0.791 28.751 29.700 -0.263 0.000 0.766 509 E HN 0.734 nan 8.360 nan 0.000 0.449 510 A N 0.000 122.292 122.820 -0.880 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.667 52.037 -0.617 0.000 0.836 510 A CB 0.000 18.627 19.000 -0.621 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486