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 2jj1_1_A 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 LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLSKI 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 0.000 176.274 176.300 -0.043 0.000 2.045 24 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 24 D CB 0.000 40.785 40.800 -0.024 0.000 0.688 25 L N 2.729 123.918 121.223 -0.057 0.000 2.629 25 L HA 0.342 4.683 4.340 0.001 0.000 0.230 25 L C 1.612 178.425 176.870 -0.096 0.000 1.151 25 L CA 0.068 54.846 54.840 -0.103 0.000 0.924 25 L CB 0.055 42.021 42.059 -0.155 0.000 1.137 25 L HN 0.453 nan 8.230 nan 0.000 0.457 26 E N 0.175 120.336 120.200 -0.065 0.000 2.166 26 E HA -0.046 4.304 4.350 0.001 0.000 0.192 26 E C 1.321 177.887 176.600 -0.056 0.000 0.967 26 E CA 0.516 56.883 56.400 -0.055 0.000 0.840 26 E CB 0.457 30.133 29.700 -0.039 0.000 0.795 26 E HN 0.354 nan 8.360 nan 0.000 0.470 27 E N 0.126 120.294 120.200 -0.053 0.000 2.511 27 E HA 0.047 4.397 4.350 0.001 0.000 0.209 27 E C 0.704 177.266 176.600 -0.063 0.000 0.986 27 E CA 0.385 56.753 56.400 -0.054 0.000 0.974 27 E CB 1.274 30.948 29.700 -0.043 0.000 1.030 27 E HN 0.191 nan 8.360 nan 0.000 0.490 28 T N -2.337 112.177 114.554 -0.067 0.000 2.831 28 T HA 0.789 5.139 4.350 0.001 0.000 0.287 28 T C 0.127 174.776 174.700 -0.085 0.000 1.070 28 T CA -0.466 61.591 62.100 -0.071 0.000 1.010 28 T CB 2.547 71.385 68.868 -0.050 0.000 1.264 28 T HN 0.004 nan 8.240 nan 0.000 0.532 29 G N 0.039 108.795 108.800 -0.074 0.000 2.623 29 G HA2 0.638 4.598 3.960 0.001 0.000 0.290 29 G HA3 0.638 4.598 3.960 0.001 0.000 0.290 29 G C -1.790 173.106 174.900 -0.006 0.000 1.437 29 G CA -1.239 43.821 45.100 -0.068 0.000 0.798 29 G HN 0.882 nan 8.290 nan 0.000 0.488 30 R N -0.379 120.149 120.500 0.046 0.000 2.664 30 R HA 0.640 4.981 4.340 0.001 0.000 0.286 30 R C -0.616 175.753 176.300 0.116 0.000 0.967 30 R CA -0.852 55.301 56.100 0.089 0.000 0.933 30 R CB 2.379 32.744 30.300 0.108 0.000 1.146 30 R HN 0.254 nan 8.270 nan 0.000 0.468 31 V N 4.385 124.377 119.914 0.129 0.000 2.485 31 V HA -0.027 4.094 4.120 0.001 0.000 0.287 31 V C 1.396 177.549 176.094 0.099 0.000 1.022 31 V CA 0.309 62.692 62.300 0.138 0.000 1.067 31 V CB 0.404 32.324 31.823 0.160 0.000 0.967 31 V HN 0.713 nan 8.190 nan 0.000 0.479 32 L N 3.930 125.209 121.223 0.093 0.000 2.102 32 L HA 0.109 4.449 4.340 0.001 0.000 0.202 32 L C 0.958 177.854 176.870 0.043 0.000 1.076 32 L CA 1.037 55.913 54.840 0.061 0.000 0.761 32 L CB 0.063 42.157 42.059 0.059 0.000 0.921 32 L HN 0.838 nan 8.230 nan 0.000 0.444 33 S N -1.084 114.645 115.700 0.048 0.000 2.537 33 S HA 0.614 5.084 4.470 0.001 0.000 0.270 33 S C -1.082 173.536 174.600 0.030 0.000 1.142 33 S CA -0.815 57.403 58.200 0.030 0.000 0.870 33 S CB 2.530 65.742 63.200 0.020 0.000 1.112 33 S HN 0.036 nan 8.310 nan 0.000 0.466 34 I N 0.720 121.294 120.570 0.008 0.000 2.619 34 I HA 0.908 5.078 4.170 0.001 0.000 0.292 34 I C -0.395 175.708 176.117 -0.022 0.000 1.100 34 I CA 0.394 61.686 61.300 -0.013 0.000 1.043 34 I CB 1.651 39.624 38.000 -0.046 0.000 1.239 34 I HN 1.411 nan 8.210 nan 0.000 0.420 35 G N 4.492 113.276 108.800 -0.025 0.000 2.405 35 G HA2 0.394 4.354 3.960 0.001 0.000 0.303 35 G HA3 0.394 4.354 3.960 0.001 0.000 0.303 35 G C -1.238 173.647 174.900 -0.025 0.000 1.644 35 G CA -0.386 44.698 45.100 -0.027 0.000 0.899 35 G HN 0.746 nan 8.290 nan 0.000 0.667 36 D N -0.383 120.000 120.400 -0.029 0.000 2.837 36 D HA -0.126 4.514 4.640 0.001 0.000 0.230 36 D C 1.654 177.937 176.300 -0.029 0.000 1.152 36 D CA 2.907 56.890 54.000 -0.029 0.000 0.736 36 D CB -1.243 39.539 40.800 -0.029 0.000 1.084 36 D HN 2.321 nan 8.370 nan 0.000 0.429 37 G N -1.067 107.715 108.800 -0.030 0.000 2.153 37 G HA2 -0.295 3.665 3.960 0.001 0.000 0.252 37 G HA3 -0.295 3.665 3.960 0.001 0.000 0.252 37 G C 0.130 175.032 174.900 0.002 0.000 0.994 37 G CA 0.373 45.460 45.100 -0.020 0.000 0.698 37 G HN 0.489 nan 8.290 nan 0.000 0.521 38 I N 0.689 121.259 120.570 -0.000 0.000 2.389 38 I HA 0.692 4.862 4.170 0.001 0.000 0.288 38 I C 0.394 176.535 176.117 0.040 0.000 0.999 38 I CA -1.262 60.053 61.300 0.026 0.000 1.129 38 I CB 1.324 39.328 38.000 0.008 0.000 1.288 38 I HN 0.338 nan 8.210 nan 0.000 0.444 39 A N 7.529 130.409 122.820 0.100 0.000 2.273 39 A HA 0.695 5.016 4.320 0.001 0.000 0.315 39 A C -0.143 177.522 177.584 0.135 0.000 1.256 39 A CA -0.762 51.355 52.037 0.134 0.000 0.851 39 A CB 0.742 19.905 19.000 0.271 0.000 1.172 39 A HN 0.535 nan 8.150 nan 0.000 0.508 40 R N 1.877 122.435 120.500 0.096 0.000 2.216 40 R HA 0.401 4.741 4.340 0.001 0.000 0.332 40 R C -0.783 175.579 176.300 0.103 0.000 1.056 40 R CA -0.299 55.851 56.100 0.084 0.000 0.901 40 R CB 0.716 31.051 30.300 0.058 0.000 1.039 40 R HN 0.418 nan 8.270 nan 0.000 0.456 41 V N 3.615 123.587 119.914 0.096 0.000 2.417 41 V HA 0.151 4.272 4.120 0.001 0.000 0.291 41 V C -0.008 176.144 176.094 0.097 0.000 1.024 41 V CA -0.988 61.368 62.300 0.093 0.000 0.861 41 V CB 1.361 33.213 31.823 0.048 0.000 0.985 41 V HN 0.687 nan 8.190 nan 0.000 0.436 42 H N 3.419 122.502 119.070 0.022 0.000 2.620 42 H HA 0.678 5.233 4.556 -0.001 0.000 0.313 42 H C 0.380 175.711 175.328 0.005 0.000 1.075 42 H CA 1.094 57.150 56.048 0.012 0.000 1.397 42 H CB 0.777 30.547 29.762 0.013 0.000 1.446 42 H HN 1.102 nan 8.280 nan 0.000 0.493 43 G N 3.105 111.613 108.800 -0.487 0.000 2.416 43 G HA2 -0.139 3.821 3.960 0.001 0.000 0.203 43 G HA3 -0.139 3.821 3.960 0.001 0.000 0.203 43 G C -0.423 174.366 174.900 -0.185 0.000 1.227 43 G CA -0.543 44.312 45.100 -0.408 0.000 1.041 43 G HN 1.198 nan 8.290 nan 0.000 0.546 44 L N -0.477 120.660 121.223 -0.142 0.000 3.677 44 L HA -0.199 4.141 4.340 0.001 0.000 0.464 44 L C 2.143 178.965 176.870 -0.081 0.000 1.278 44 L CA 0.591 55.371 54.840 -0.099 0.000 0.806 44 L CB -0.754 41.250 42.059 -0.092 0.000 1.610 44 L HN 0.643 nan 8.230 nan 0.000 0.867 45 R N 0.098 120.550 120.500 -0.081 0.000 2.120 45 R HA -0.019 4.321 4.340 0.001 0.000 0.234 45 R C 1.369 177.644 176.300 -0.042 0.000 1.123 45 R CA 1.210 57.275 56.100 -0.059 0.000 0.975 45 R CB -0.348 29.919 30.300 -0.055 0.000 0.866 45 R HN 0.553 nan 8.270 nan 0.000 0.446 46 N N 0.852 119.526 118.700 -0.044 0.000 2.268 46 N HA 0.018 4.758 4.740 0.001 0.000 0.204 46 N C -0.107 175.383 175.510 -0.035 0.000 1.124 46 N CA 0.018 53.047 53.050 -0.034 0.000 0.838 46 N CB 0.456 38.924 38.487 -0.033 0.000 0.994 46 N HN -0.001 nan 8.380 nan 0.000 0.489 47 V N -0.254 119.636 119.914 -0.040 0.000 2.740 47 V HA 0.079 4.199 4.120 0.001 0.000 0.303 47 V C 0.503 176.582 176.094 -0.025 0.000 1.054 47 V CA -0.587 61.690 62.300 -0.039 0.000 1.106 47 V CB 0.369 32.165 31.823 -0.044 0.000 0.957 47 V HN 0.068 nan 8.190 nan 0.000 0.486 48 Q N 2.573 122.359 119.800 -0.022 0.000 2.261 48 Q HA 0.608 4.949 4.340 0.001 0.000 0.252 48 Q C 0.435 176.433 176.000 -0.004 0.000 0.915 48 Q CA -0.238 55.558 55.803 -0.011 0.000 0.915 48 Q CB 1.419 30.151 28.738 -0.012 0.000 1.204 48 Q HN 1.117 nan 8.270 nan 0.000 0.421 49 A N 3.149 125.973 122.820 0.006 0.000 2.573 49 A HA -0.105 4.215 4.320 0.001 0.000 0.250 49 A C 0.272 177.869 177.584 0.021 0.000 1.049 49 A CA 0.670 52.718 52.037 0.017 0.000 0.767 49 A CB -0.356 18.659 19.000 0.025 0.000 0.965 49 A HN 1.000 nan 8.150 nan 0.000 0.514 50 E N -0.486 119.733 120.200 0.033 0.000 3.763 50 E HA -0.186 4.165 4.350 0.001 0.000 0.319 50 E C 0.235 176.853 176.600 0.029 0.000 0.804 50 E CA 1.142 57.571 56.400 0.048 0.000 1.196 50 E CB -1.323 28.404 29.700 0.045 0.000 1.607 50 E HN 0.954 nan 8.360 nan 0.000 0.431 51 E N 0.369 120.572 120.200 0.005 0.000 2.373 51 E HA 0.199 4.550 4.350 0.001 0.000 0.263 51 E C -0.034 176.541 176.600 -0.041 0.000 1.073 51 E CA -0.247 56.140 56.400 -0.022 0.000 0.894 51 E CB 0.623 30.302 29.700 -0.035 0.000 1.008 51 E HN 0.000 nan 8.360 nan 0.000 0.420 52 M N 4.217 123.771 119.600 -0.077 0.000 2.080 52 M HA 0.180 4.661 4.480 0.001 0.000 0.350 52 M C -0.347 175.857 176.300 -0.161 0.000 1.173 52 M CA -0.582 54.632 55.300 -0.143 0.000 1.052 52 M CB 0.841 33.333 32.600 -0.180 0.000 1.577 52 M HN 0.369 nan 8.290 nan 0.000 0.455 53 V N 1.366 121.157 119.914 -0.205 0.000 3.093 53 V HA 0.661 4.781 4.120 0.001 0.000 0.320 53 V C -0.453 175.455 176.094 -0.310 0.000 1.093 53 V CA -0.835 61.315 62.300 -0.250 0.000 1.016 53 V CB 2.084 33.730 31.823 -0.296 0.000 1.096 53 V HN 0.895 nan 8.190 nan 0.000 0.452 54 E N 0.926 120.950 120.200 -0.293 0.000 2.191 54 E HA 0.467 4.817 4.350 0.001 0.000 0.263 54 E C -1.494 174.963 176.600 -0.240 0.000 0.881 54 E CA -0.686 55.584 56.400 -0.216 0.000 0.757 54 E CB 1.381 31.020 29.700 -0.101 0.000 1.147 54 E HN 0.628 nan 8.360 nan 0.000 0.414 55 F N 1.757 121.696 119.950 -0.019 0.000 2.444 55 F HA 0.000 4.527 4.527 -0.001 0.000 0.331 55 F C 2.161 177.959 175.800 -0.003 0.000 1.167 55 F CA 0.279 58.277 58.000 -0.004 0.000 1.262 55 F CB 1.093 40.098 39.000 0.008 0.000 1.196 55 F HN 0.612 nan 8.300 nan 0.000 0.583 56 S N -0.423 115.401 115.700 0.206 0.000 2.400 56 S HA -0.219 4.251 4.470 0.001 0.000 0.232 56 S C 1.845 176.500 174.600 0.092 0.000 1.025 56 S CA 1.293 59.558 58.200 0.108 0.000 0.993 56 S CB -0.965 62.287 63.200 0.088 0.000 0.808 56 S HN 0.700 nan 8.310 nan 0.000 0.478 57 S N 0.425 116.191 115.700 0.110 0.000 2.515 57 S HA 0.393 4.864 4.470 0.001 0.000 0.231 57 S C 1.675 176.320 174.600 0.074 0.000 0.987 57 S CA 0.562 58.806 58.200 0.072 0.000 0.936 57 S CB -0.671 62.558 63.200 0.048 0.000 0.766 57 S HN 1.579 nan 8.310 nan 0.000 0.528 58 G N 0.488 109.349 108.800 0.103 0.000 2.176 58 G HA2 -0.192 3.768 3.960 0.001 0.000 0.232 58 G HA3 -0.192 3.768 3.960 0.001 0.000 0.232 58 G C -0.097 174.865 174.900 0.103 0.000 0.986 58 G CA -0.009 45.140 45.100 0.082 0.000 0.643 58 G HN 0.496 nan 8.290 nan 0.000 0.522 59 L N 0.727 122.046 121.223 0.159 0.000 2.417 59 L HA 0.456 4.796 4.340 0.001 0.000 0.268 59 L C 0.805 177.837 176.870 0.270 0.000 1.158 59 L CA -0.681 54.273 54.840 0.190 0.000 0.819 59 L CB 0.622 42.769 42.059 0.148 0.000 1.112 59 L HN -0.089 nan 8.230 nan 0.000 0.458 60 K N 1.342 121.837 120.400 0.158 0.000 2.090 60 K HA 0.666 4.986 4.320 0.001 0.000 0.250 60 K C -0.005 176.634 176.600 0.065 0.000 1.004 60 K CA -0.429 55.822 56.287 -0.061 0.000 0.919 60 K CB 1.433 33.683 32.500 -0.417 0.000 1.045 60 K HN 0.766 nan 8.250 nan 0.000 0.471 61 G N 0.267 108.969 108.800 -0.162 0.000 2.746 61 G HA2 0.529 4.489 3.960 0.001 0.000 0.297 61 G HA3 0.529 4.489 3.960 0.001 0.000 0.297 61 G C -1.512 173.353 174.900 -0.058 0.000 1.426 61 G CA -0.656 44.501 45.100 0.096 0.000 0.989 61 G HN 0.418 nan 8.290 nan 0.000 0.520 62 M N 1.758 121.478 119.600 0.200 0.000 2.243 62 M HA 0.487 4.968 4.480 0.001 0.000 0.324 62 M C -0.327 176.054 176.300 0.134 0.000 1.031 62 M CA -0.603 54.796 55.300 0.164 0.000 0.949 62 M CB 1.589 34.408 32.600 0.364 0.000 1.615 62 M HN 0.353 nan 8.290 nan 0.000 0.430 63 S N 6.310 122.047 115.700 0.061 0.000 2.485 63 S HA 0.275 4.745 4.470 0.001 0.000 0.312 63 S C 0.814 175.445 174.600 0.052 0.000 1.102 63 S CA -0.502 57.722 58.200 0.040 0.000 1.066 63 S CB -0.116 63.084 63.200 0.000 0.000 1.102 63 S HN 0.745 nan 8.310 nan 0.000 0.519 64 L N 1.566 122.823 121.223 0.057 0.000 2.408 64 L HA 0.244 4.585 4.340 0.001 0.000 0.215 64 L C 0.066 176.953 176.870 0.030 0.000 1.081 64 L CA 0.363 55.231 54.840 0.047 0.000 0.840 64 L CB 0.011 42.087 42.059 0.028 0.000 1.002 64 L HN 0.370 nan 8.230 nan 0.000 0.468 65 N N 0.658 119.372 118.700 0.024 0.000 2.443 65 N HA 0.441 5.182 4.740 0.001 0.000 0.269 65 N C -1.132 174.390 175.510 0.020 0.000 0.985 65 N CA -0.145 52.916 53.050 0.018 0.000 0.921 65 N CB 1.550 40.043 38.487 0.010 0.000 1.195 65 N HN -0.026 nan 8.380 nan 0.000 0.492 66 L N 1.992 123.226 121.223 0.019 0.000 2.277 66 L HA 0.473 4.814 4.340 0.001 0.000 0.284 66 L C 0.337 177.216 176.870 0.016 0.000 1.028 66 L CA -0.520 54.329 54.840 0.014 0.000 0.835 66 L CB 0.729 42.795 42.059 0.011 0.000 1.215 66 L HN 0.312 nan 8.230 nan 0.000 0.425 67 E N 3.237 123.448 120.200 0.018 0.000 2.232 67 E HA 0.319 4.669 4.350 0.001 0.000 0.264 67 E C -1.730 174.882 176.600 0.021 0.000 0.973 67 E CA -1.885 54.527 56.400 0.019 0.000 0.849 67 E CB 1.423 31.135 29.700 0.021 0.000 1.198 67 E HN 0.258 nan 8.360 nan 0.000 0.407 68 P HA -0.191 nan 4.420 nan 0.000 0.217 68 P C 0.346 177.666 177.300 0.033 0.000 1.148 68 P CA 1.512 64.625 63.100 0.022 0.000 0.828 68 P CB 0.139 31.851 31.700 0.020 0.000 0.783 69 D N -2.387 118.039 120.400 0.043 0.000 2.582 69 D HA 0.084 4.724 4.640 0.001 0.000 0.246 69 D C -0.184 176.175 176.300 0.098 0.000 1.334 69 D CA -0.369 53.675 54.000 0.073 0.000 0.805 69 D CB -0.845 39.992 40.800 0.060 0.000 1.087 69 D HN 0.340 nan 8.370 nan 0.000 0.499 70 N N -1.797 116.943 118.700 0.066 0.000 3.322 70 N HA 0.360 5.100 4.740 0.001 0.000 0.233 70 N C -2.077 173.455 175.510 0.038 0.000 1.399 70 N CA -0.956 52.133 53.050 0.066 0.000 0.894 70 N CB 1.454 39.981 38.487 0.067 0.000 1.440 70 N HN -0.199 nan 8.380 nan 0.000 0.503 71 V N 0.369 120.304 119.914 0.034 0.000 2.378 71 V HA 0.686 4.806 4.120 0.001 0.000 0.288 71 V C 0.672 176.790 176.094 0.040 0.000 1.016 71 V CA -0.602 61.712 62.300 0.024 0.000 0.840 71 V CB 1.159 32.983 31.823 0.002 0.000 0.994 71 V HN 0.892 nan 8.190 nan 0.000 0.431 72 G N 4.399 113.221 108.800 0.036 0.000 2.428 72 G HA2 0.407 4.367 3.960 0.001 0.000 0.293 72 G HA3 0.407 4.367 3.960 0.001 0.000 0.293 72 G C -0.349 174.587 174.900 0.061 0.000 1.059 72 G CA -0.006 45.120 45.100 0.043 0.000 1.194 72 G HN 0.517 nan 8.290 nan 0.000 0.435 73 V N 3.431 123.405 119.914 0.100 0.000 2.472 73 V HA 0.274 4.395 4.120 0.001 0.000 0.290 73 V C 0.206 176.415 176.094 0.192 0.000 1.037 73 V CA -0.747 61.641 62.300 0.148 0.000 0.908 73 V CB 1.835 33.770 31.823 0.187 0.000 0.985 73 V HN 0.390 nan 8.190 nan 0.000 0.454 74 V N 5.871 125.914 119.914 0.214 0.000 2.370 74 V HA 0.310 4.430 4.120 0.001 0.000 0.279 74 V C -0.034 176.283 176.094 0.371 0.000 1.029 74 V CA -0.334 62.094 62.300 0.214 0.000 0.870 74 V CB 1.993 33.898 31.823 0.136 0.000 0.984 74 V HN 0.650 nan 8.190 nan 0.000 0.451 75 V N 7.316 127.389 119.914 0.264 0.000 2.405 75 V HA 0.228 4.348 4.120 0.001 0.000 0.264 75 V C 0.104 176.380 176.094 0.303 0.000 1.048 75 V CA -0.182 62.291 62.300 0.289 0.000 0.966 75 V CB 0.583 32.435 31.823 0.047 0.000 1.015 75 V HN 0.700 nan 8.190 nan 0.000 0.477 76 F N 5.046 125.065 119.950 0.116 0.000 2.666 76 F HA 0.591 5.118 4.527 -0.000 0.000 0.362 76 F C 1.137 176.971 175.800 0.057 0.000 1.190 76 F CA 0.211 58.265 58.000 0.091 0.000 1.328 76 F CB -0.196 38.869 39.000 0.107 0.000 1.682 76 F HN 0.699 nan 8.300 nan 0.000 0.623 77 G N 0.184 109.068 108.800 0.140 0.000 2.345 77 G HA2 -0.051 3.909 3.960 0.001 0.000 0.285 77 G HA3 -0.051 3.909 3.960 0.001 0.000 0.285 77 G C -1.299 173.611 174.900 0.016 0.000 1.297 77 G CA -1.233 43.911 45.100 0.073 0.000 0.875 77 G HN 0.035 nan 8.290 nan 0.000 0.506 78 N N 0.527 119.227 118.700 0.001 0.000 2.458 78 N HA 0.123 4.863 4.740 0.001 0.000 0.258 78 N C 0.693 176.170 175.510 -0.057 0.000 1.219 78 N CA -0.076 52.961 53.050 -0.022 0.000 0.902 78 N CB 1.139 39.617 38.487 -0.014 0.000 1.076 78 N HN 0.421 nan 8.380 nan 0.000 0.455 79 D N 2.161 122.523 120.400 -0.063 0.000 2.264 79 D HA -0.174 4.466 4.640 0.001 0.000 0.208 79 D C 1.564 177.812 176.300 -0.088 0.000 0.966 79 D CA 0.983 54.927 54.000 -0.093 0.000 0.864 79 D CB 0.122 40.879 40.800 -0.072 0.000 0.933 79 D HN 0.719 nan 8.370 nan 0.000 0.499 80 K N 0.796 121.162 120.400 -0.057 0.000 2.211 80 K HA -0.107 4.213 4.320 0.001 0.000 0.204 80 K C 1.819 178.390 176.600 -0.048 0.000 1.047 80 K CA 0.918 57.179 56.287 -0.044 0.000 0.935 80 K CB -0.317 32.166 32.500 -0.027 0.000 0.728 80 K HN 0.178 nan 8.250 nan 0.000 0.452 81 L N 0.900 122.086 121.223 -0.063 0.000 2.418 81 L HA 0.187 4.527 4.340 0.001 0.000 0.218 81 L C 0.818 177.641 176.870 -0.079 0.000 1.125 81 L CA 0.133 54.940 54.840 -0.056 0.000 0.835 81 L CB -0.058 41.975 42.059 -0.043 0.000 0.953 81 L HN 0.164 nan 8.230 nan 0.000 0.454 82 I N 0.621 121.111 120.570 -0.135 0.000 2.339 82 I HA 0.210 4.381 4.170 0.001 0.000 0.290 82 I C -0.231 175.837 176.117 -0.082 0.000 0.994 82 I CA -0.331 60.872 61.300 -0.161 0.000 1.191 82 I CB 1.263 39.028 38.000 -0.391 0.000 1.343 82 I HN 0.007 nan 8.210 nan 0.000 0.458 83 K N 4.776 125.159 120.400 -0.029 0.000 2.238 83 K HA 0.382 4.703 4.320 0.001 0.000 0.239 83 K C -0.405 176.206 176.600 0.017 0.000 0.987 83 K CA -0.976 55.306 56.287 -0.008 0.000 0.857 83 K CB 1.797 34.298 32.500 0.001 0.000 1.154 83 K HN 0.500 nan 8.250 nan 0.000 0.439 84 E N 0.409 120.619 120.200 0.017 0.000 2.608 84 E HA -0.103 4.247 4.350 0.001 0.000 0.259 84 E C 0.484 177.107 176.600 0.038 0.000 0.951 84 E CA 1.241 57.658 56.400 0.030 0.000 0.945 84 E CB -0.083 29.628 29.700 0.018 0.000 0.916 84 E HN 0.780 nan 8.360 nan 0.000 0.477 85 G N 3.890 112.723 108.800 0.054 0.000 2.176 85 G HA2 -0.238 3.722 3.960 0.001 0.000 0.253 85 G HA3 -0.238 3.722 3.960 0.001 0.000 0.253 85 G C -0.244 174.695 174.900 0.066 0.000 0.979 85 G CA 0.135 45.269 45.100 0.056 0.000 0.641 85 G HN 0.670 nan 8.290 nan 0.000 0.530 86 D N 0.401 120.850 120.400 0.082 0.000 2.424 86 D HA 0.410 5.051 4.640 0.001 0.000 0.244 86 D C 0.928 177.297 176.300 0.115 0.000 1.134 86 D CA -0.072 53.990 54.000 0.103 0.000 0.881 86 D CB 0.640 41.518 40.800 0.130 0.000 1.191 86 D HN 0.207 nan 8.370 nan 0.000 0.445 87 I N 2.091 122.713 120.570 0.086 0.000 2.556 87 I HA 0.015 4.185 4.170 0.001 0.000 0.284 87 I C -0.067 176.075 176.117 0.041 0.000 1.114 87 I CA 0.093 61.425 61.300 0.052 0.000 1.418 87 I CB 0.724 38.741 38.000 0.029 0.000 1.394 87 I HN 0.027 nan 8.210 nan 0.000 0.552 88 V N 7.102 127.000 119.914 -0.028 0.000 2.409 88 V HA 0.430 4.550 4.120 0.001 0.000 0.291 88 V C 0.046 176.048 176.094 -0.153 0.000 1.020 88 V CA -1.040 61.160 62.300 -0.166 0.000 0.848 88 V CB 1.249 32.905 31.823 -0.278 0.000 0.990 88 V HN 0.571 nan 8.190 nan 0.000 0.430 89 K N 3.622 123.923 120.400 -0.166 0.000 2.123 89 K HA 0.630 4.951 4.320 0.001 0.000 0.259 89 K C -0.421 176.094 176.600 -0.141 0.000 0.960 89 K CA -0.875 55.339 56.287 -0.122 0.000 0.872 89 K CB 2.094 34.542 32.500 -0.086 0.000 1.079 89 K HN 0.550 nan 8.250 nan 0.000 0.440 90 R N 0.964 121.400 120.500 -0.107 0.000 2.265 90 R HA 0.071 4.412 4.340 0.001 0.000 0.314 90 R C 0.836 177.089 176.300 -0.078 0.000 1.053 90 R CA -0.117 55.925 56.100 -0.096 0.000 0.931 90 R CB 0.701 30.955 30.300 -0.077 0.000 1.024 90 R HN 0.722 nan 8.270 nan 0.000 0.457 91 T N -0.937 113.570 114.554 -0.079 0.000 3.105 91 T HA 0.161 4.512 4.350 0.001 0.000 0.253 91 T C 1.174 175.844 174.700 -0.051 0.000 1.047 91 T CA 0.185 62.249 62.100 -0.061 0.000 0.944 91 T CB 0.464 69.295 68.868 -0.061 0.000 1.016 91 T HN 0.805 nan 8.240 nan 0.000 0.544 92 G N 1.315 110.084 108.800 -0.052 0.000 2.176 92 G HA2 -0.038 3.923 3.960 0.001 0.000 0.252 92 G HA3 -0.038 3.923 3.960 0.001 0.000 0.252 92 G C 0.345 175.219 174.900 -0.043 0.000 1.024 92 G CA -0.056 45.018 45.100 -0.043 0.000 0.755 92 G HN 1.197 nan 8.290 nan 0.000 0.507 93 A N -0.370 122.417 122.820 -0.055 0.000 2.406 93 A HA 0.684 5.005 4.320 0.001 0.000 0.243 93 A C 0.545 178.101 177.584 -0.048 0.000 1.082 93 A CA 0.389 52.392 52.037 -0.056 0.000 0.786 93 A CB 0.628 19.580 19.000 -0.080 0.000 1.029 93 A HN 1.438 nan 8.150 nan 0.000 0.495 94 I N 2.238 122.783 120.570 -0.041 0.000 2.529 94 I HA 0.283 4.453 4.170 0.001 0.000 0.284 94 I C -0.801 175.300 176.117 -0.026 0.000 1.088 94 I CA -0.479 60.802 61.300 -0.030 0.000 1.062 94 I CB 1.532 39.518 38.000 -0.022 0.000 1.218 94 I HN 0.286 nan 8.210 nan 0.000 0.442 95 V N 8.074 127.974 119.914 -0.023 0.000 2.324 95 V HA 0.082 4.202 4.120 0.001 0.000 0.244 95 V C 0.128 176.221 176.094 -0.002 0.000 1.144 95 V CA 0.104 62.398 62.300 -0.010 0.000 1.158 95 V CB -0.977 30.849 31.823 0.004 0.000 1.254 95 V HN 0.779 nan 8.190 nan 0.000 0.492 96 D N 3.488 123.889 120.400 0.001 0.000 2.566 96 D HA 0.718 5.358 4.640 0.001 0.000 0.254 96 D C -0.510 175.797 176.300 0.011 0.000 1.090 96 D CA -0.716 53.287 54.000 0.005 0.000 1.034 96 D CB 2.403 43.202 40.800 -0.002 0.000 1.434 96 D HN 0.273 nan 8.370 nan 0.000 0.509 97 V N -4.619 115.301 119.914 0.009 0.000 2.925 97 V HA 0.670 4.791 4.120 0.001 0.000 0.311 97 V C -2.886 173.201 176.094 -0.011 0.000 1.104 97 V CA -2.231 60.074 62.300 0.007 0.000 0.954 97 V CB 1.779 33.613 31.823 0.019 0.000 1.022 97 V HN 0.553 nan 8.190 nan 0.000 0.427 98 P HA 0.241 nan 4.420 nan 0.000 0.266 98 P C -0.706 176.548 177.300 -0.076 0.000 1.195 98 P CA 0.244 63.318 63.100 -0.043 0.000 0.768 98 P CB 1.315 32.992 31.700 -0.039 0.000 0.838 99 V N 2.538 122.378 119.914 -0.123 0.000 2.760 99 V HA 0.845 4.965 4.120 0.001 0.000 0.309 99 V C 0.394 176.212 176.094 -0.461 0.000 1.077 99 V CA 0.333 62.496 62.300 -0.229 0.000 0.910 99 V CB 1.875 33.623 31.823 -0.125 0.000 1.008 99 V HN 1.055 nan 8.190 nan 0.000 0.424 100 G N 3.424 111.754 108.800 -0.784 0.000 2.369 100 G HA2 0.107 4.068 3.960 0.001 0.000 0.293 100 G HA3 0.107 4.068 3.960 0.001 0.000 0.293 100 G C -0.052 174.445 174.900 -0.672 0.000 1.301 100 G CA -0.066 44.359 45.100 -1.126 0.000 0.913 100 G HN 0.540 nan 8.290 nan 0.000 0.540 101 E N 0.329 120.252 120.200 -0.463 0.000 2.347 101 E HA -0.088 4.263 4.350 0.001 0.000 0.196 101 E C 1.791 178.351 176.600 -0.066 0.000 1.008 101 E CA 1.252 57.573 56.400 -0.132 0.000 0.852 101 E CB 0.102 29.778 29.700 -0.040 0.000 0.783 101 E HN 0.674 nan 8.360 nan 0.000 0.505 102 E N 1.167 121.303 120.200 -0.107 0.000 2.478 102 E HA -0.094 4.256 4.350 0.001 0.000 0.198 102 E C 1.922 178.497 176.600 -0.042 0.000 1.046 102 E CA 0.329 56.694 56.400 -0.057 0.000 0.870 102 E CB -0.282 29.381 29.700 -0.061 0.000 0.818 102 E HN 0.308 nan 8.360 nan 0.000 0.527 103 L N 0.644 121.834 121.223 -0.055 0.000 2.313 103 L HA 0.057 4.397 4.340 0.001 0.000 0.214 103 L C 1.196 178.083 176.870 0.028 0.000 1.119 103 L CA 0.196 55.026 54.840 -0.017 0.000 0.809 103 L CB -0.192 41.851 42.059 -0.028 0.000 0.933 103 L HN 0.022 nan 8.230 nan 0.000 0.449 104 L N 0.204 121.459 121.223 0.053 0.000 2.525 104 L HA 0.098 4.439 4.340 0.001 0.000 0.278 104 L C 1.459 178.353 176.870 0.040 0.000 1.218 104 L CA 0.653 55.540 54.840 0.079 0.000 0.878 104 L CB -0.206 41.928 42.059 0.124 0.000 1.127 104 L HN 0.351 nan 8.230 nan 0.000 0.492 105 G N 1.584 110.394 108.800 0.018 0.000 2.162 105 G HA2 -0.228 3.733 3.960 0.001 0.000 0.260 105 G HA3 -0.228 3.733 3.960 0.001 0.000 0.260 105 G C 0.220 175.118 174.900 -0.004 0.000 0.976 105 G CA -0.236 44.858 45.100 -0.009 0.000 0.655 105 G HN 0.484 nan 8.290 nan 0.000 0.533 106 R N -0.417 120.088 120.500 0.008 0.000 2.664 106 R HA 0.680 5.021 4.340 0.001 0.000 0.286 106 R C -0.343 175.968 176.300 0.018 0.000 0.967 106 R CA -0.875 55.230 56.100 0.010 0.000 0.933 106 R CB 1.846 32.152 30.300 0.009 0.000 1.146 106 R HN 0.183 nan 8.270 nan 0.000 0.468 107 V N 3.101 123.025 119.914 0.018 0.000 2.370 107 V HA 0.410 4.531 4.120 0.001 0.000 0.283 107 V C 0.288 176.397 176.094 0.026 0.000 1.023 107 V CA -0.715 61.602 62.300 0.028 0.000 0.857 107 V CB 1.429 33.269 31.823 0.028 0.000 0.985 107 V HN 0.599 nan 8.190 nan 0.000 0.443 108 V N 1.488 121.420 119.914 0.030 0.000 3.046 108 V HA 0.817 4.937 4.120 0.001 0.000 0.316 108 V C -0.340 175.774 176.094 0.032 0.000 1.104 108 V CA -0.862 61.455 62.300 0.028 0.000 1.006 108 V CB 2.116 33.954 31.823 0.024 0.000 1.058 108 V HN 0.774 nan 8.190 nan 0.000 0.440 109 D N 1.922 122.343 120.400 0.035 0.000 2.469 109 D HA 0.464 5.104 4.640 0.001 0.000 0.278 109 D C 1.254 177.580 176.300 0.044 0.000 1.231 109 D CA 0.071 54.095 54.000 0.040 0.000 1.075 109 D CB 0.919 41.747 40.800 0.048 0.000 1.121 109 D HN 0.847 nan 8.370 nan 0.000 0.571 110 A N -0.948 121.903 122.820 0.051 0.000 2.125 110 A HA -0.024 4.296 4.320 0.001 0.000 0.219 110 A C 1.960 179.587 177.584 0.072 0.000 1.156 110 A CA 0.970 53.040 52.037 0.055 0.000 0.671 110 A CB -0.763 18.270 19.000 0.054 0.000 0.794 110 A HN 0.496 nan 8.150 nan 0.000 0.459 111 L N -1.845 119.426 121.223 0.080 0.000 2.910 111 L HA 0.359 4.699 4.340 0.001 0.000 0.252 111 L C 1.413 178.311 176.870 0.048 0.000 1.195 111 L CA 0.331 55.218 54.840 0.078 0.000 1.003 111 L CB 0.071 42.192 42.059 0.105 0.000 1.328 111 L HN 0.448 nan 8.230 nan 0.000 0.540 112 G N -0.140 108.683 108.800 0.039 0.000 2.184 112 G HA2 -0.274 3.687 3.960 0.001 0.000 0.264 112 G HA3 -0.274 3.687 3.960 0.001 0.000 0.264 112 G C 0.207 175.119 174.900 0.020 0.000 0.975 112 G CA -0.200 44.913 45.100 0.023 0.000 0.642 112 G HN 0.404 nan 8.290 nan 0.000 0.536 113 N N 1.271 119.988 118.700 0.030 0.000 2.454 113 N HA 0.448 5.189 4.740 0.001 0.000 0.260 113 N C 0.679 176.203 175.510 0.023 0.000 1.218 113 N CA 0.868 53.934 53.050 0.027 0.000 0.904 113 N CB 1.070 39.578 38.487 0.036 0.000 1.065 113 N HN 0.762 nan 8.380 nan 0.000 0.462 114 A N 2.440 125.270 122.820 0.017 0.000 2.440 114 A HA 0.285 4.605 4.320 0.001 0.000 0.251 114 A C 1.294 178.889 177.584 0.018 0.000 1.089 114 A CA -0.279 51.768 52.037 0.015 0.000 0.779 114 A CB -0.316 18.690 19.000 0.010 0.000 1.022 114 A HN 0.827 nan 8.150 nan 0.000 0.492 115 I N -0.719 119.863 120.570 0.020 0.000 4.102 115 I HA 0.266 4.436 4.170 0.001 0.000 0.325 115 I C 0.248 176.375 176.117 0.017 0.000 1.471 115 I CA -0.016 61.296 61.300 0.020 0.000 1.133 115 I CB 0.542 38.557 38.000 0.025 0.000 1.184 115 I HN 0.463 nan 8.210 nan 0.000 0.451 116 D N 1.085 121.494 120.400 0.014 0.000 2.349 116 D HA 0.179 4.819 4.640 0.001 0.000 0.214 116 D C 1.592 177.896 176.300 0.006 0.000 1.063 116 D CA 0.525 54.531 54.000 0.009 0.000 0.847 116 D CB 0.234 41.038 40.800 0.007 0.000 0.933 116 D HN 0.445 nan 8.370 nan 0.000 0.513 117 G N 0.796 109.601 108.800 0.007 0.000 2.143 117 G HA2 -0.344 3.617 3.960 0.001 0.000 0.248 117 G HA3 -0.344 3.617 3.960 0.001 0.000 0.248 117 G C 0.621 175.523 174.900 0.004 0.000 0.991 117 G CA 0.338 45.442 45.100 0.006 0.000 0.689 117 G HN 0.458 nan 8.290 nan 0.000 0.522 118 K N 0.269 120.671 120.400 0.003 0.000 2.498 118 K HA 0.474 4.795 4.320 0.001 0.000 0.207 118 K C 1.478 178.079 176.600 0.002 0.000 1.033 118 K CA 0.241 56.529 56.287 0.002 0.000 1.138 118 K CB 0.531 33.032 32.500 0.000 0.000 0.860 118 K HN 1.351 nan 8.250 nan 0.000 0.490 119 G N 2.915 111.717 108.800 0.003 0.000 2.645 119 G HA2 -0.231 3.730 3.960 0.001 0.000 0.239 119 G HA3 -0.231 3.730 3.960 0.001 0.000 0.239 119 G C -2.494 172.407 174.900 0.002 0.000 1.331 119 G CA -1.061 44.041 45.100 0.003 0.000 0.890 119 G HN 0.136 nan 8.290 nan 0.000 0.572 120 P HA 0.298 nan 4.420 nan 0.000 0.266 120 P C 0.283 177.580 177.300 -0.005 0.000 1.195 120 P CA -0.094 63.004 63.100 -0.002 0.000 0.768 120 P CB 0.293 31.991 31.700 -0.003 0.000 0.838 121 I N 2.377 122.942 120.570 -0.008 0.000 2.436 121 I HA 0.042 4.213 4.170 0.001 0.000 0.289 121 I C 1.673 177.777 176.117 -0.021 0.000 1.083 121 I CA 0.289 61.579 61.300 -0.015 0.000 1.372 121 I CB -0.123 37.865 38.000 -0.019 0.000 1.408 121 I HN 0.480 nan 8.210 nan 0.000 0.516 122 G N 4.738 113.524 108.800 -0.022 0.000 3.353 122 G HA2 0.048 4.009 3.960 0.001 0.000 0.247 122 G HA3 0.048 4.009 3.960 0.001 0.000 0.247 122 G C 0.603 175.482 174.900 -0.035 0.000 1.025 122 G CA -0.160 44.926 45.100 -0.023 0.000 1.863 122 G HN 0.614 nan 8.290 nan 0.000 0.635 123 S N -0.110 115.565 115.700 -0.042 0.000 2.499 123 S HA 0.278 4.748 4.470 0.001 0.000 0.275 123 S C 1.196 175.768 174.600 -0.047 0.000 1.257 123 S CA -0.495 57.668 58.200 -0.062 0.000 1.050 123 S CB 1.081 64.239 63.200 -0.070 0.000 0.937 123 S HN 0.414 nan 8.310 nan 0.000 0.490 124 K N 2.550 122.920 120.400 -0.050 0.000 2.354 124 K HA 0.301 4.621 4.320 0.001 0.000 0.194 124 K C 0.403 176.992 176.600 -0.018 0.000 1.038 124 K CA 0.141 56.412 56.287 -0.026 0.000 1.052 124 K CB 0.655 33.147 32.500 -0.014 0.000 0.861 124 K HN 0.668 nan 8.250 nan 0.000 0.535 125 A N 1.324 124.125 122.820 -0.032 0.000 2.423 125 A HA 0.700 5.020 4.320 0.001 0.000 0.304 125 A C -0.885 176.683 177.584 -0.026 0.000 1.104 125 A CA -0.778 51.253 52.037 -0.010 0.000 0.757 125 A CB 1.324 20.348 19.000 0.040 0.000 1.313 125 A HN 0.067 nan 8.150 nan 0.000 0.423 126 R N -0.173 120.322 120.500 -0.007 0.000 2.837 126 R HA 0.745 5.085 4.340 0.001 0.000 0.271 126 R C -0.781 175.522 176.300 0.005 0.000 0.993 126 R CA -0.848 55.246 56.100 -0.010 0.000 0.931 126 R CB 2.660 32.954 30.300 -0.010 0.000 1.206 126 R HN 0.774 nan 8.270 nan 0.000 0.474 127 R N 1.066 121.569 120.500 0.004 0.000 2.604 127 R HA 0.339 4.679 4.340 0.001 0.000 0.281 127 R C -0.862 175.445 176.300 0.012 0.000 1.020 127 R CA -0.788 55.320 56.100 0.014 0.000 0.899 127 R CB 1.709 32.024 30.300 0.025 0.000 1.205 127 R HN 0.537 nan 8.270 nan 0.000 0.450 128 R N 1.734 122.240 120.500 0.009 0.000 2.640 128 R HA -0.018 4.323 4.340 0.001 0.000 0.270 128 R C 1.395 177.702 176.300 0.011 0.000 1.024 128 R CA 0.327 56.429 56.100 0.004 0.000 1.085 128 R CB 0.757 31.056 30.300 -0.001 0.000 0.963 128 R HN 0.582 nan 8.270 nan 0.000 0.426 129 V N 0.533 120.450 119.914 0.005 0.000 2.951 129 V HA 0.176 4.296 4.120 0.001 0.000 0.255 129 V C 0.781 176.863 176.094 -0.019 0.000 1.088 129 V CA 1.274 63.586 62.300 0.020 0.000 1.109 129 V CB 0.216 32.057 31.823 0.030 0.000 0.724 129 V HN 0.697 nan 8.190 nan 0.000 0.471 130 G N 1.326 110.083 108.800 -0.071 0.000 2.716 130 G HA2 0.667 4.628 3.960 0.001 0.000 0.333 130 G HA3 0.667 4.628 3.960 0.001 0.000 0.333 130 G C -1.090 173.776 174.900 -0.057 0.000 1.168 130 G CA -0.404 44.619 45.100 -0.127 0.000 1.064 130 G HN 0.344 nan 8.290 nan 0.000 0.479 131 L N 1.196 122.406 121.223 -0.023 0.000 2.434 131 L HA 0.475 4.816 4.340 0.001 0.000 0.260 131 L C 0.146 177.027 176.870 0.019 0.000 0.983 131 L CA -1.160 53.683 54.840 0.004 0.000 0.820 131 L CB 2.845 44.915 42.059 0.019 0.000 1.361 131 L HN 0.273 nan 8.230 nan 0.000 0.410 132 K N 1.302 121.716 120.400 0.024 0.000 2.436 132 K HA 0.329 4.649 4.320 0.001 0.000 0.275 132 K C -0.033 176.586 176.600 0.031 0.000 0.999 132 K CA -0.181 56.126 56.287 0.034 0.000 0.980 132 K CB 1.085 33.605 32.500 0.033 0.000 0.919 132 K HN 0.667 nan 8.250 nan 0.000 0.484 133 A N 4.891 127.731 122.820 0.034 0.000 2.386 133 A HA 0.256 4.576 4.320 0.001 0.000 0.248 133 A C -2.091 175.492 177.584 -0.002 0.000 1.082 133 A CA -1.175 50.875 52.037 0.022 0.000 0.789 133 A CB -0.370 18.645 19.000 0.026 0.000 1.025 133 A HN 0.449 nan 8.150 nan 0.000 0.490 134 P HA 0.146 nan 4.420 nan 0.000 0.264 134 P C 0.751 178.007 177.300 -0.072 0.000 1.179 134 P CA 0.789 63.843 63.100 -0.078 0.000 0.763 134 P CB 0.452 32.081 31.700 -0.119 0.000 0.806 135 G N 1.294 110.041 108.800 -0.089 0.000 2.485 135 G HA2 0.073 4.034 3.960 0.001 0.000 0.260 135 G HA3 0.073 4.034 3.960 0.001 0.000 0.260 135 G C 0.933 175.791 174.900 -0.069 0.000 1.459 135 G CA -0.435 44.630 45.100 -0.058 0.000 1.060 135 G HN 0.436 nan 8.290 nan 0.000 0.546 136 I N -0.467 120.075 120.570 -0.045 0.000 2.286 136 I HA -0.051 4.119 4.170 0.001 0.000 0.245 136 I C 2.414 178.499 176.117 -0.054 0.000 1.104 136 I CA 0.624 61.901 61.300 -0.037 0.000 1.397 136 I CB 0.059 38.049 38.000 -0.015 0.000 1.072 136 I HN 0.232 nan 8.210 nan 0.000 0.417 137 I N 1.040 121.572 120.570 -0.063 0.000 2.333 137 I HA -0.063 4.108 4.170 0.001 0.000 0.246 137 I C -0.581 175.460 176.117 -0.127 0.000 1.106 137 I CA 1.074 62.339 61.300 -0.057 0.000 1.411 137 I CB -2.588 35.406 38.000 -0.010 0.000 1.082 137 I HN 0.175 nan 8.210 nan 0.000 0.420 138 P HA 0.027 nan 4.420 nan 0.000 0.258 138 P C -0.175 176.885 177.300 -0.401 0.000 1.319 138 P CA 0.561 63.254 63.100 -0.680 0.000 0.785 138 P CB -0.088 30.866 31.700 -1.243 0.000 1.252 139 R N -0.538 119.851 120.500 -0.185 0.000 2.803 139 R HA 0.665 5.006 4.340 0.001 0.000 0.276 139 R C -0.790 175.487 176.300 -0.039 0.000 0.978 139 R CA -1.015 55.026 56.100 -0.098 0.000 0.939 139 R CB 1.681 31.936 30.300 -0.077 0.000 1.179 139 R HN -0.087 nan 8.270 nan 0.000 0.472 140 I N -0.152 120.410 120.570 -0.013 0.000 2.693 140 I HA 0.276 4.446 4.170 0.001 0.000 0.303 140 I C -0.152 175.967 176.117 0.003 0.000 1.025 140 I CA -0.215 61.086 61.300 0.003 0.000 1.086 140 I CB 2.298 40.309 38.000 0.018 0.000 1.268 140 I HN 0.533 nan 8.210 nan 0.000 0.440 141 S N 2.922 118.624 115.700 0.004 0.000 2.571 141 S HA 0.071 4.541 4.470 0.001 0.000 0.298 141 S C -0.275 174.327 174.600 0.003 0.000 1.280 141 S CA -0.410 57.792 58.200 0.003 0.000 1.052 141 S CB 0.091 63.293 63.200 0.003 0.000 0.799 141 S HN 0.393 nan 8.310 nan 0.000 0.501 142 V N 6.088 126.003 119.914 0.002 0.000 2.458 142 V HA 0.059 4.179 4.120 0.001 0.000 0.287 142 V C 1.289 177.379 176.094 -0.007 0.000 1.009 142 V CA 0.675 62.975 62.300 -0.001 0.000 1.091 142 V CB 0.187 32.009 31.823 -0.001 0.000 0.960 142 V HN 0.786 nan 8.190 nan 0.000 0.476 143 R N 2.448 122.940 120.500 -0.013 0.000 2.437 143 R HA 0.219 4.559 4.340 0.001 0.000 0.184 143 R C 0.373 176.649 176.300 -0.040 0.000 0.850 143 R CA 0.035 56.123 56.100 -0.021 0.000 1.073 143 R CB 0.306 30.598 30.300 -0.014 0.000 1.336 143 R HN 0.688 nan 8.270 nan 0.000 0.640 144 E N 2.907 123.073 120.200 -0.058 0.000 2.338 144 E HA 0.197 4.548 4.350 0.001 0.000 0.272 144 E C -2.400 174.128 176.600 -0.120 0.000 1.029 144 E CA -1.881 54.456 56.400 -0.104 0.000 0.872 144 E CB 0.608 30.217 29.700 -0.152 0.000 1.015 144 E HN -0.044 nan 8.360 nan 0.000 0.417 145 P HA -0.033 nan 4.420 nan 0.000 0.269 145 P C -0.622 176.579 177.300 -0.166 0.000 1.209 145 P CA 0.104 63.129 63.100 -0.126 0.000 0.776 145 P CB 0.454 32.080 31.700 -0.123 0.000 0.876 146 M N 2.901 122.435 119.600 -0.110 0.000 2.065 146 M HA 0.142 4.623 4.480 0.001 0.000 0.308 146 M C -0.867 175.408 176.300 -0.042 0.000 0.939 146 M CA -0.515 54.725 55.300 -0.100 0.000 0.890 146 M CB 0.452 33.011 32.600 -0.067 0.000 1.383 146 M HN 0.302 nan 8.290 nan 0.000 0.381 147 Q N 2.174 121.962 119.800 -0.020 0.000 2.296 147 Q HA 0.155 4.496 4.340 0.001 0.000 0.263 147 Q C 1.295 177.350 176.000 0.092 0.000 1.026 147 Q CA 0.201 56.048 55.803 0.073 0.000 0.912 147 Q CB 0.679 29.538 28.738 0.203 0.000 1.198 147 Q HN 0.743 nan 8.270 nan 0.000 0.407 148 T N -1.275 113.310 114.554 0.052 0.000 3.014 148 T HA 0.079 4.430 4.350 0.001 0.000 0.263 148 T C 1.323 176.043 174.700 0.035 0.000 1.078 148 T CA 0.685 62.809 62.100 0.039 0.000 1.135 148 T CB 0.073 68.953 68.868 0.020 0.000 0.895 148 T HN 0.816 nan 8.240 nan 0.000 0.480 149 G N 1.464 110.286 108.800 0.037 0.000 2.179 149 G HA2 -0.226 3.734 3.960 0.001 0.000 0.260 149 G HA3 -0.226 3.734 3.960 0.001 0.000 0.260 149 G C 0.044 174.948 174.900 0.007 0.000 0.977 149 G CA 0.198 45.308 45.100 0.016 0.000 0.641 149 G HN 0.678 nan 8.290 nan 0.000 0.533 150 I N 1.004 121.580 120.570 0.010 0.000 2.325 150 I HA 0.262 4.432 4.170 0.001 0.000 0.291 150 I C 1.613 177.738 176.117 0.013 0.000 1.019 150 I CA -0.585 60.718 61.300 0.005 0.000 1.302 150 I CB 1.266 39.267 38.000 0.002 0.000 1.401 150 I HN -0.004 nan 8.210 nan 0.000 0.485 151 K N 4.541 124.949 120.400 0.013 0.000 2.009 151 K HA -0.214 4.106 4.320 0.001 0.000 0.210 151 K C 2.117 178.730 176.600 0.021 0.000 1.049 151 K CA 1.801 58.100 56.287 0.020 0.000 0.929 151 K CB -0.229 32.284 32.500 0.022 0.000 0.714 151 K HN 0.812 nan 8.250 nan 0.000 0.440 152 A N 0.925 123.757 122.820 0.019 0.000 1.948 152 A HA -0.159 4.161 4.320 0.001 0.000 0.220 152 A C 2.352 179.951 177.584 0.025 0.000 1.177 152 A CA 1.729 53.779 52.037 0.023 0.000 0.636 152 A CB -0.596 18.418 19.000 0.024 0.000 0.815 152 A HN 0.107 nan 8.150 nan 0.000 0.449 153 V N -0.016 119.911 119.914 0.021 0.000 2.300 153 V HA -0.135 3.986 4.120 0.001 0.000 0.241 153 V C 2.108 178.214 176.094 0.019 0.000 1.034 153 V CA 1.900 64.212 62.300 0.020 0.000 1.021 153 V CB -0.793 31.039 31.823 0.015 0.000 0.662 153 V HN 0.449 nan 8.190 nan 0.000 0.458 154 D N 0.729 121.140 120.400 0.019 0.000 2.190 154 D HA -0.148 4.492 4.640 0.001 0.000 0.200 154 D C 2.374 178.686 176.300 0.020 0.000 0.992 154 D CA 1.882 55.894 54.000 0.019 0.000 0.854 154 D CB -0.181 40.635 40.800 0.025 0.000 0.936 154 D HN 0.600 nan 8.370 nan 0.000 0.462 155 S N -0.523 115.191 115.700 0.023 0.000 2.371 155 S HA 0.041 4.511 4.470 0.001 0.000 0.219 155 S C 1.948 176.561 174.600 0.023 0.000 1.040 155 S CA 0.249 58.463 58.200 0.023 0.000 0.958 155 S CB -0.309 62.906 63.200 0.026 0.000 0.860 155 S HN 0.203 nan 8.310 nan 0.000 0.487 156 L N 1.034 122.273 121.223 0.025 0.000 2.616 156 L HA 0.387 4.727 4.340 0.001 0.000 0.229 156 L C -0.152 176.737 176.870 0.032 0.000 1.110 156 L CA 0.039 54.896 54.840 0.029 0.000 0.884 156 L CB 1.009 43.087 42.059 0.032 0.000 1.115 156 L HN 0.223 nan 8.230 nan 0.000 0.481 157 V N -0.641 119.290 119.914 0.029 0.000 3.028 157 V HA 0.173 4.293 4.120 0.001 0.000 0.418 157 V C -2.498 173.608 176.094 0.018 0.000 1.433 157 V CA -0.841 61.477 62.300 0.030 0.000 1.543 157 V CB 0.326 32.173 31.823 0.039 0.000 1.329 157 V HN 0.017 nan 8.190 nan 0.000 0.646 158 P HA 0.245 nan 4.420 nan 0.000 0.267 158 P C -0.139 177.161 177.300 -0.000 0.000 1.205 158 P CA 0.554 63.658 63.100 0.006 0.000 0.765 158 P CB 1.363 33.066 31.700 0.005 0.000 0.828 159 I N 1.792 122.359 120.570 -0.006 0.000 2.677 159 I HA 0.608 4.779 4.170 0.001 0.000 0.305 159 I C 1.213 177.316 176.117 -0.024 0.000 0.988 159 I CA -0.366 60.926 61.300 -0.013 0.000 1.260 159 I CB 1.354 39.346 38.000 -0.013 0.000 1.410 159 I HN 0.344 nan 8.210 nan 0.000 0.523 160 G N 2.241 111.026 108.800 -0.025 0.000 2.563 160 G HA2 0.498 4.459 3.960 0.001 0.000 0.302 160 G HA3 0.498 4.459 3.960 0.001 0.000 0.302 160 G C -0.943 173.937 174.900 -0.033 0.000 1.301 160 G CA -0.913 44.165 45.100 -0.036 0.000 0.965 160 G HN 0.472 nan 8.290 nan 0.000 0.480 161 R N 0.417 120.886 120.500 -0.051 0.000 2.446 161 R HA 0.371 4.712 4.340 0.001 0.000 0.325 161 R C 1.286 177.595 176.300 0.014 0.000 0.997 161 R CA 1.406 57.487 56.100 -0.031 0.000 1.010 161 R CB 0.462 30.712 30.300 -0.083 0.000 0.946 161 R HN 1.197 nan 8.270 nan 0.000 0.422 162 G N 1.971 110.787 108.800 0.027 0.000 2.307 162 G HA2 -0.280 3.681 3.960 0.001 0.000 0.210 162 G HA3 -0.280 3.681 3.960 0.001 0.000 0.210 162 G C 0.253 175.164 174.900 0.018 0.000 1.005 162 G CA -0.124 44.996 45.100 0.032 0.000 0.634 162 G HN 0.586 nan 8.290 nan 0.000 0.496 163 Q N 0.707 120.512 119.800 0.007 0.000 2.474 163 Q HA 0.479 4.819 4.340 0.001 0.000 0.256 163 Q C -0.141 175.861 176.000 0.004 0.000 1.048 163 Q CA 0.154 55.959 55.803 0.003 0.000 0.922 163 Q CB 0.306 29.042 28.738 -0.004 0.000 1.288 163 Q HN 0.375 nan 8.270 nan 0.000 0.484 164 R N 2.233 122.733 120.500 -0.000 0.000 2.387 164 R HA 0.360 4.700 4.340 0.001 0.000 0.314 164 R C -1.315 174.973 176.300 -0.020 0.000 0.958 164 R CA -0.601 55.496 56.100 -0.005 0.000 0.846 164 R CB 1.599 31.895 30.300 -0.006 0.000 1.147 164 R HN 0.480 nan 8.270 nan 0.000 0.447 165 E N 2.544 122.727 120.200 -0.028 0.000 2.220 165 E HA 0.283 4.633 4.350 0.001 0.000 0.256 165 E C -1.524 175.034 176.600 -0.069 0.000 0.881 165 E CA -0.872 55.502 56.400 -0.045 0.000 0.766 165 E CB 0.925 30.605 29.700 -0.033 0.000 1.187 165 E HN 0.418 nan 8.360 nan 0.000 0.419 166 L N 5.342 126.499 121.223 -0.109 0.000 2.380 166 L HA 0.466 4.806 4.340 0.001 0.000 0.273 166 L C -0.812 175.954 176.870 -0.173 0.000 1.138 166 L CA 0.157 54.908 54.840 -0.147 0.000 0.832 166 L CB 0.462 42.404 42.059 -0.196 0.000 1.124 166 L HN 0.657 nan 8.230 nan 0.000 0.454 167 I N 7.001 127.491 120.570 -0.134 0.000 2.312 167 I HA 0.400 4.571 4.170 0.001 0.000 0.290 167 I C -0.323 175.712 176.117 -0.135 0.000 1.008 167 I CA -0.137 61.090 61.300 -0.120 0.000 1.226 167 I CB 1.069 39.034 38.000 -0.058 0.000 1.371 167 I HN 0.574 nan 8.210 nan 0.000 0.468 168 I N 5.245 125.713 120.570 -0.171 0.000 2.656 168 I HA 0.833 5.003 4.170 0.001 0.000 0.292 168 I C -0.543 175.545 176.117 -0.048 0.000 1.144 168 I CA -0.036 61.178 61.300 -0.143 0.000 1.038 168 I CB 2.120 39.972 38.000 -0.247 0.000 1.244 168 I HN 0.683 nan 8.210 nan 0.000 0.420 169 G N 4.944 113.744 108.800 -0.000 0.000 2.356 169 G HA2 0.217 4.177 3.960 0.001 0.000 0.294 169 G HA3 0.217 4.177 3.960 0.001 0.000 0.294 169 G C -1.844 173.068 174.900 0.021 0.000 1.423 169 G CA -0.699 44.423 45.100 0.037 0.000 0.806 169 G HN 0.485 nan 8.290 nan 0.000 0.527 170 D N 0.160 120.573 120.400 0.021 0.000 2.372 170 D HA 0.261 4.902 4.640 0.001 0.000 0.243 170 D C 1.185 177.475 176.300 -0.017 0.000 1.297 170 D CA 0.019 54.025 54.000 0.009 0.000 0.958 170 D CB 0.378 41.187 40.800 0.015 0.000 1.114 170 D HN 0.648 nan 8.370 nan 0.000 0.496 171 R N 0.033 120.525 120.500 -0.013 0.000 2.640 171 R HA 0.014 4.354 4.340 0.001 0.000 0.270 171 R C -0.085 176.170 176.300 -0.074 0.000 1.024 171 R CA 0.025 56.109 56.100 -0.027 0.000 1.085 171 R CB -0.227 30.068 30.300 -0.008 0.000 0.963 171 R HN 0.369 nan 8.270 nan 0.000 0.426 172 Q N -0.600 119.144 119.800 -0.094 0.000 2.502 172 Q HA -0.186 4.154 4.340 0.001 0.000 0.273 172 Q C 0.186 175.976 176.000 -0.350 0.000 1.127 172 Q CA 1.298 57.000 55.803 -0.169 0.000 0.952 172 Q CB -1.786 26.875 28.738 -0.127 0.000 1.333 172 Q HN 1.004 nan 8.270 nan 0.000 0.494 173 T N -4.901 109.495 114.554 -0.264 0.000 3.022 173 T HA 0.440 4.790 4.350 0.001 0.000 0.250 173 T C 1.211 175.803 174.700 -0.181 0.000 1.060 173 T CA 0.608 62.526 62.100 -0.304 0.000 1.013 173 T CB 1.105 69.897 68.868 -0.126 0.000 0.982 173 T HN 0.960 nan 8.240 nan 0.000 0.508 174 G N 1.487 110.217 108.800 -0.117 0.000 2.155 174 G HA2 -0.174 3.787 3.960 0.001 0.000 0.135 174 G HA3 -0.174 3.787 3.960 0.001 0.000 0.135 174 G C 0.619 175.518 174.900 -0.001 0.000 1.023 174 G CA 0.110 45.204 45.100 -0.011 0.000 0.688 174 G HN 0.467 nan 8.290 nan 0.000 0.499 175 K N -0.402 119.991 120.400 -0.012 0.000 2.031 175 K HA -0.002 4.319 4.320 0.001 0.000 0.205 175 K C 2.535 179.149 176.600 0.022 0.000 1.049 175 K CA 1.645 57.932 56.287 0.000 0.000 0.939 175 K CB -0.264 32.232 32.500 -0.007 0.000 0.717 175 K HN 0.240 nan 8.250 nan 0.000 0.438 176 T N 1.284 115.861 114.554 0.038 0.000 2.720 176 T HA -0.131 4.219 4.350 0.001 0.000 0.268 176 T C 2.072 176.789 174.700 0.029 0.000 1.037 176 T CA 1.592 63.732 62.100 0.067 0.000 1.144 176 T CB -0.210 68.708 68.868 0.083 0.000 0.864 176 T HN 0.163 nan 8.240 nan 0.000 0.444 177 S N 1.335 117.041 115.700 0.010 0.000 2.359 177 S HA -0.119 4.351 4.470 0.001 0.000 0.223 177 S C 2.030 176.616 174.600 -0.023 0.000 1.039 177 S CA 1.049 59.236 58.200 -0.022 0.000 1.042 177 S CB -0.467 62.703 63.200 -0.050 0.000 0.915 177 S HN 0.341 nan 8.310 nan 0.000 0.439 178 I N 2.030 122.594 120.570 -0.009 0.000 2.194 178 I HA -0.242 3.928 4.170 0.001 0.000 0.246 178 I C 2.678 178.798 176.117 0.005 0.000 1.093 178 I CA 1.573 62.870 61.300 -0.004 0.000 1.355 178 I CB -1.855 36.145 38.000 -0.000 0.000 1.046 178 I HN 0.271 nan 8.210 nan 0.000 0.413 179 A N 1.032 123.863 122.820 0.019 0.000 1.873 179 A HA -0.136 4.184 4.320 0.001 0.000 0.215 179 A C 2.246 179.835 177.584 0.009 0.000 1.186 179 A CA 1.107 53.164 52.037 0.034 0.000 0.616 179 A CB -0.546 18.509 19.000 0.090 0.000 0.823 179 A HN 0.249 nan 8.150 nan 0.000 0.442 180 I N 0.908 121.464 120.570 -0.023 0.000 2.127 180 I HA -0.237 3.934 4.170 0.001 0.000 0.241 180 I C 1.887 178.013 176.117 0.016 0.000 1.075 180 I CA 1.849 63.126 61.300 -0.039 0.000 1.334 180 I CB -1.689 36.303 38.000 -0.012 0.000 1.040 180 I HN 0.286 nan 8.210 nan 0.000 0.405 181 D N 0.466 120.879 120.400 0.020 0.000 2.117 181 D HA -0.140 4.501 4.640 0.001 0.000 0.197 181 D C 2.206 178.522 176.300 0.027 0.000 0.987 181 D CA 1.631 55.646 54.000 0.025 0.000 0.829 181 D CB -0.414 40.378 40.800 -0.014 0.000 0.961 181 D HN 0.270 nan 8.370 nan 0.000 0.460 182 T N 0.800 115.368 114.554 0.024 0.000 2.699 182 T HA -0.129 4.222 4.350 0.001 0.000 0.268 182 T C 2.161 176.895 174.700 0.056 0.000 1.036 182 T CA 0.746 62.867 62.100 0.034 0.000 1.147 182 T CB -0.263 68.622 68.868 0.028 0.000 0.862 182 T HN 0.186 nan 8.240 nan 0.000 0.446 183 I N 0.276 120.886 120.570 0.065 0.000 2.315 183 I HA -0.072 4.098 4.170 0.001 0.000 0.248 183 I C 2.132 178.358 176.117 0.181 0.000 1.117 183 I CA 1.135 62.510 61.300 0.125 0.000 1.404 183 I CB -0.299 37.749 38.000 0.081 0.000 1.071 183 I HN 0.223 nan 8.210 nan 0.000 0.419 184 I N 0.766 121.397 120.570 0.102 0.000 2.493 184 I HA -0.262 3.909 4.170 0.001 0.000 0.254 184 I C 2.181 178.342 176.117 0.073 0.000 1.160 184 I CA 1.077 62.436 61.300 0.098 0.000 1.445 184 I CB -0.431 37.607 38.000 0.064 0.000 1.086 184 I HN 0.300 nan 8.210 nan 0.000 0.433 185 N N 0.628 119.346 118.700 0.030 0.000 2.244 185 N HA -0.193 4.547 4.740 0.001 0.000 0.183 185 N C 1.852 177.269 175.510 -0.155 0.000 1.016 185 N CA 1.148 54.164 53.050 -0.056 0.000 0.866 185 N CB 0.085 38.562 38.487 -0.017 0.000 0.980 185 N HN 0.159 nan 8.380 nan 0.000 0.430 186 Q N 0.776 120.533 119.800 -0.071 0.000 2.226 186 Q HA -0.117 4.223 4.340 0.001 0.000 0.204 186 Q C 1.706 177.484 176.000 -0.371 0.000 0.975 186 Q CA 0.718 56.424 55.803 -0.162 0.000 0.866 186 Q CB -0.369 28.216 28.738 -0.254 0.000 0.915 186 Q HN 0.503 nan 8.270 nan 0.000 0.440 187 K N 1.307 121.564 120.400 -0.238 0.000 2.071 187 K HA -0.265 4.055 4.320 0.001 0.000 0.217 187 K C 2.013 178.478 176.600 -0.226 0.000 1.054 187 K CA 2.119 58.334 56.287 -0.119 0.000 0.937 187 K CB -0.128 32.406 32.500 0.057 0.000 0.719 187 K HN 0.275 nan 8.250 nan 0.000 0.454 188 R N -0.481 119.803 120.500 -0.360 0.000 2.200 188 R HA -0.141 4.200 4.340 0.001 0.000 0.234 188 R C 1.731 177.759 176.300 -0.454 0.000 1.127 188 R CA 1.795 57.627 56.100 -0.447 0.000 0.989 188 R CB -0.386 29.560 30.300 -0.591 0.000 0.869 188 R HN 0.243 nan 8.270 nan 0.000 0.459 189 F N 0.274 120.125 119.950 -0.165 0.000 2.505 189 F HA 0.225 4.753 4.527 0.001 0.000 0.289 189 F C 1.845 177.521 175.800 -0.206 0.000 1.101 189 F CA -0.295 57.599 58.000 -0.177 0.000 1.446 189 F CB -0.059 38.819 39.000 -0.204 0.000 1.123 189 F HN -0.033 nan 8.300 nan 0.000 0.564 190 N N 0.132 118.750 118.700 -0.136 0.000 2.354 190 N HA -0.103 4.638 4.740 0.001 0.000 0.179 190 N C 0.908 176.363 175.510 -0.092 0.000 1.021 190 N CA 0.983 53.907 53.050 -0.210 0.000 0.887 190 N CB -0.287 37.926 38.487 -0.457 0.000 0.974 190 N HN 0.230 nan 8.380 nan 0.000 0.437 191 D N 0.057 120.417 120.400 -0.067 0.000 2.349 191 D HA 0.059 4.699 4.640 0.001 0.000 0.215 191 D C 1.169 177.458 176.300 -0.017 0.000 1.016 191 D CA 0.163 54.149 54.000 -0.024 0.000 0.870 191 D CB 0.145 40.932 40.800 -0.022 0.000 0.917 191 D HN 0.133 nan 8.370 nan 0.000 0.524 192 G N 0.234 109.024 108.800 -0.017 0.000 2.588 192 G HA2 0.230 4.190 3.960 0.001 0.000 0.278 192 G HA3 0.230 4.190 3.960 0.001 0.000 0.278 192 G C 0.955 175.860 174.900 0.008 0.000 1.307 192 G CA 0.223 45.324 45.100 0.001 0.000 1.016 192 G HN 0.139 nan 8.290 nan 0.000 0.503 193 T N -3.014 111.547 114.554 0.012 0.000 3.085 193 T HA 0.144 4.494 4.350 0.001 0.000 0.264 193 T C 0.193 174.901 174.700 0.014 0.000 1.019 193 T CA -0.038 62.070 62.100 0.014 0.000 0.910 193 T CB 0.381 69.257 68.868 0.012 0.000 1.059 193 T HN 0.302 nan 8.240 nan 0.000 0.542 194 D N 2.313 122.720 120.400 0.012 0.000 2.393 194 D HA 0.138 4.779 4.640 0.001 0.000 0.232 194 D C 1.030 177.329 176.300 -0.002 0.000 1.192 194 D CA -0.208 53.794 54.000 0.002 0.000 0.882 194 D CB 0.994 41.790 40.800 -0.007 0.000 1.038 194 D HN 0.157 nan 8.370 nan 0.000 0.499 195 E N 2.996 123.206 120.200 0.016 0.000 2.153 195 E HA -0.158 4.192 4.350 0.001 0.000 0.194 195 E C 1.521 178.149 176.600 0.047 0.000 0.988 195 E CA 0.591 57.014 56.400 0.039 0.000 0.811 195 E CB 0.212 29.948 29.700 0.060 0.000 0.746 195 E HN 0.489 nan 8.360 nan 0.000 0.466 196 K N 0.984 121.398 120.400 0.023 0.000 2.063 196 K HA -0.114 4.206 4.320 0.001 0.000 0.208 196 K C 1.906 178.434 176.600 -0.120 0.000 1.048 196 K CA 0.965 57.258 56.287 0.009 0.000 0.928 196 K CB -0.036 32.450 32.500 -0.024 0.000 0.713 196 K HN 0.069 nan 8.250 nan 0.000 0.442 197 K N 0.786 121.086 120.400 -0.166 0.000 2.400 197 K HA 0.031 4.352 4.320 0.001 0.000 0.194 197 K C 0.394 176.799 176.600 -0.326 0.000 1.033 197 K CA 0.150 56.235 56.287 -0.337 0.000 1.021 197 K CB 0.299 32.591 32.500 -0.347 0.000 0.808 197 K HN 0.087 nan 8.250 nan 0.000 0.505 198 K N 1.352 121.643 120.400 -0.183 0.000 2.355 198 K HA 0.081 4.401 4.320 0.001 0.000 0.270 198 K C -0.527 175.887 176.600 -0.310 0.000 1.003 198 K CA -0.037 56.102 56.287 -0.247 0.000 0.957 198 K CB 0.514 32.854 32.500 -0.267 0.000 0.939 198 K HN -0.147 nan 8.250 nan 0.000 0.482 199 L N 3.802 124.753 121.223 -0.454 0.000 2.491 199 L HA 0.290 4.630 4.340 0.001 0.000 0.267 199 L C -1.672 174.895 176.870 -0.505 0.000 0.971 199 L CA -0.401 54.226 54.840 -0.355 0.000 0.857 199 L CB 0.874 42.812 42.059 -0.201 0.000 1.226 199 L HN 0.445 nan 8.230 nan 0.000 0.408 200 Y N 3.083 123.229 120.300 -0.256 0.000 2.299 200 Y HA 0.546 5.096 4.550 0.001 0.000 0.326 200 Y C 0.501 176.309 175.900 -0.154 0.000 1.164 200 Y CA -0.144 57.777 58.100 -0.299 0.000 1.234 200 Y CB 1.172 39.126 38.460 -0.842 0.000 1.219 200 Y HN 0.510 nan 8.280 nan 0.000 0.497 201 C N 3.657 123.063 119.300 0.177 0.000 2.493 201 C HA 0.739 5.199 4.460 0.001 0.000 0.326 201 C C -0.473 174.597 174.990 0.133 0.000 1.200 201 C CA -0.977 58.130 59.018 0.147 0.000 1.739 201 C CB 0.494 28.357 27.740 0.205 0.000 2.300 201 C HN 0.590 nan 8.230 nan 0.000 0.500 202 I N 2.178 122.806 120.570 0.097 0.000 2.500 202 I HA 0.275 4.445 4.170 0.001 0.000 0.286 202 I C -0.908 175.253 176.117 0.073 0.000 1.063 202 I CA -0.277 61.074 61.300 0.085 0.000 1.062 202 I CB 0.903 38.937 38.000 0.057 0.000 1.223 202 I HN 0.619 nan 8.210 nan 0.000 0.435 203 Y N 7.024 127.303 120.300 -0.035 0.000 2.369 203 Y HA 0.671 5.222 4.550 0.001 0.000 0.337 203 Y C -0.752 175.127 175.900 -0.035 0.000 0.961 203 Y CA -0.926 57.144 58.100 -0.050 0.000 1.186 203 Y CB 1.154 39.598 38.460 -0.027 0.000 1.139 203 Y HN 0.318 nan 8.280 nan 0.000 0.494 204 V N 6.601 126.237 119.914 -0.462 0.000 2.368 204 V HA 0.528 4.649 4.120 0.001 0.000 0.266 204 V C 0.249 175.996 176.094 -0.578 0.000 1.045 204 V CA -0.535 61.545 62.300 -0.365 0.000 0.899 204 V CB 0.466 32.206 31.823 -0.139 0.000 1.006 204 V HN 0.927 nan 8.190 nan 0.000 0.470 205 A N 7.086 129.666 122.820 -0.399 0.000 2.316 205 A HA 0.754 5.075 4.320 0.001 0.000 0.311 205 A C -0.422 177.095 177.584 -0.112 0.000 1.339 205 A CA -0.274 51.608 52.037 -0.258 0.000 0.960 205 A CB -0.251 18.716 19.000 -0.055 0.000 1.152 205 A HN 0.768 nan 8.150 nan 0.000 0.547 206 I N 2.160 122.674 120.570 -0.094 0.000 2.339 206 I HA 0.533 4.704 4.170 0.001 0.000 0.290 206 I C 1.277 177.389 176.117 -0.008 0.000 0.994 206 I CA 0.589 61.868 61.300 -0.036 0.000 1.191 206 I CB 1.607 39.589 38.000 -0.030 0.000 1.343 206 I HN 0.914 nan 8.210 nan 0.000 0.458 207 G N 3.658 112.463 108.800 0.008 0.000 2.189 207 G HA2 -0.266 3.694 3.960 0.001 0.000 0.267 207 G HA3 -0.266 3.694 3.960 0.001 0.000 0.267 207 G C 0.369 175.283 174.900 0.023 0.000 0.975 207 G CA -0.110 45.002 45.100 0.020 0.000 0.644 207 G HN 0.604 nan 8.290 nan 0.000 0.537 208 Q N 0.237 120.052 119.800 0.024 0.000 2.471 208 Q HA 0.452 4.793 4.340 0.001 0.000 0.223 208 Q C 0.783 176.804 176.000 0.035 0.000 1.045 208 Q CA 0.225 56.050 55.803 0.037 0.000 0.956 208 Q CB 0.492 29.264 28.738 0.056 0.000 1.249 208 Q HN 0.635 nan 8.270 nan 0.000 0.549 209 K N 0.203 120.625 120.400 0.037 0.000 2.144 209 K HA 0.237 4.558 4.320 0.001 0.000 0.270 209 K C 0.302 176.924 176.600 0.036 0.000 1.005 209 K CA -0.507 55.800 56.287 0.032 0.000 0.932 209 K CB 1.153 33.670 32.500 0.028 0.000 1.021 209 K HN 0.417 nan 8.250 nan 0.000 0.462 210 R N 0.792 121.310 120.500 0.031 0.000 2.096 210 R HA -0.209 4.131 4.340 0.001 0.000 0.240 210 R C 2.423 178.741 176.300 0.030 0.000 1.139 210 R CA 2.310 58.429 56.100 0.031 0.000 0.952 210 R CB -0.510 29.805 30.300 0.025 0.000 0.854 210 R HN 0.961 nan 8.270 nan 0.000 0.436 211 S N -0.193 115.523 115.700 0.026 0.000 2.383 211 S HA -0.166 4.304 4.470 0.001 0.000 0.229 211 S C 1.929 176.544 174.600 0.025 0.000 1.030 211 S CA 1.874 60.087 58.200 0.022 0.000 1.002 211 S CB -0.448 62.763 63.200 0.019 0.000 0.829 211 S HN 0.254 nan 8.310 nan 0.000 0.467 212 T N 2.031 116.605 114.554 0.034 0.000 2.708 212 T HA -0.028 4.323 4.350 0.001 0.000 0.266 212 T C 1.883 176.613 174.700 0.050 0.000 1.037 212 T CA 1.514 63.639 62.100 0.042 0.000 1.146 212 T CB -0.643 68.255 68.868 0.050 0.000 0.865 212 T HN 0.308 nan 8.240 nan 0.000 0.435 213 V N 1.698 121.650 119.914 0.063 0.000 2.332 213 V HA -0.195 3.925 4.120 0.001 0.000 0.248 213 V C 2.847 178.967 176.094 0.043 0.000 1.055 213 V CA 1.734 64.083 62.300 0.082 0.000 1.038 213 V CB -1.177 30.700 31.823 0.090 0.000 0.651 213 V HN 0.536 nan 8.190 nan 0.000 0.450 214 A N -0.793 122.043 122.820 0.027 0.000 1.902 214 A HA -0.221 4.100 4.320 0.001 0.000 0.217 214 A C 2.192 179.771 177.584 -0.008 0.000 1.181 214 A CA 1.490 53.532 52.037 0.009 0.000 0.623 214 A CB -0.401 18.604 19.000 0.008 0.000 0.818 214 A HN 0.560 nan 8.150 nan 0.000 0.443 215 Q N -0.568 119.228 119.800 -0.006 0.000 2.124 215 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 215 Q C 2.102 178.077 176.000 -0.042 0.000 0.977 215 Q CA 0.898 56.688 55.803 -0.022 0.000 0.850 215 Q CB -0.579 28.155 28.738 -0.007 0.000 0.901 215 Q HN 0.586 nan 8.270 nan 0.000 0.429 216 L N 1.258 122.461 121.223 -0.033 0.000 1.956 216 L HA -0.158 4.182 4.340 0.001 0.000 0.216 216 L C 2.466 179.273 176.870 -0.104 0.000 1.073 216 L CA 2.255 57.047 54.840 -0.079 0.000 0.762 216 L CB -1.199 40.821 42.059 -0.065 0.000 0.889 216 L HN 0.232 nan 8.230 nan 0.000 0.433 217 V N -1.657 118.216 119.914 -0.068 0.000 2.759 217 V HA -0.188 3.933 4.120 0.001 0.000 0.256 217 V C 2.567 178.614 176.094 -0.078 0.000 1.080 217 V CA 1.836 64.093 62.300 -0.071 0.000 1.101 217 V CB -0.676 31.127 31.823 -0.034 0.000 0.698 217 V HN 0.420 nan 8.190 nan 0.000 0.477 218 K N 1.344 121.701 120.400 -0.073 0.000 2.057 218 K HA -0.129 4.191 4.320 0.001 0.000 0.206 218 K C 2.322 178.856 176.600 -0.110 0.000 1.050 218 K CA 1.920 58.159 56.287 -0.079 0.000 0.935 218 K CB -0.507 31.953 32.500 -0.067 0.000 0.715 218 K HN 0.461 nan 8.250 nan 0.000 0.439 219 R N 0.501 120.920 120.500 -0.135 0.000 2.092 219 R HA 0.055 4.395 4.340 0.001 0.000 0.231 219 R C 1.993 178.199 176.300 -0.156 0.000 1.119 219 R CA 1.464 57.450 56.100 -0.189 0.000 0.970 219 R CB -0.607 29.561 30.300 -0.220 0.000 0.864 219 R HN 0.310 nan 8.270 nan 0.000 0.440 220 L N -0.681 120.460 121.223 -0.138 0.000 2.056 220 L HA -0.113 4.227 4.340 0.001 0.000 0.207 220 L C 2.155 178.942 176.870 -0.138 0.000 1.078 220 L CA 1.817 56.572 54.840 -0.142 0.000 0.749 220 L CB -0.742 41.221 42.059 -0.161 0.000 0.901 220 L HN 0.233 nan 8.230 nan 0.000 0.433 221 T N -0.823 113.660 114.554 -0.118 0.000 2.708 221 T HA -0.186 4.164 4.350 0.001 0.000 0.266 221 T C 1.468 176.114 174.700 -0.090 0.000 1.037 221 T CA 1.566 63.607 62.100 -0.099 0.000 1.146 221 T CB -0.265 68.557 68.868 -0.077 0.000 0.865 221 T HN 0.288 nan 8.240 nan 0.000 0.435 222 D N 1.472 121.815 120.400 -0.095 0.000 2.149 222 D HA -0.027 4.614 4.640 0.001 0.000 0.198 222 D C 1.940 178.191 176.300 -0.081 0.000 0.990 222 D CA 1.125 55.071 54.000 -0.090 0.000 0.839 222 D CB -0.330 40.403 40.800 -0.112 0.000 0.948 222 D HN 0.433 nan 8.370 nan 0.000 0.460 223 A N 0.306 123.073 122.820 -0.088 0.000 2.276 223 A HA 0.025 4.346 4.320 0.001 0.000 0.212 223 A C 0.523 178.075 177.584 -0.052 0.000 1.230 223 A CA 0.564 52.564 52.037 -0.061 0.000 0.844 223 A CB -0.138 18.833 19.000 -0.049 0.000 0.860 223 A HN 0.087 nan 8.150 nan 0.000 0.486 224 D N -2.672 117.686 120.400 -0.070 0.000 2.811 224 D HA -0.233 4.407 4.640 0.001 0.000 0.231 224 D C 0.782 177.018 176.300 -0.107 0.000 1.157 224 D CA 1.146 55.108 54.000 -0.065 0.000 0.716 224 D CB -1.256 39.530 40.800 -0.024 0.000 1.077 224 D HN 0.528 nan 8.370 nan 0.000 0.428 225 A N -0.731 121.965 122.820 -0.208 0.000 2.115 225 A HA 0.121 4.442 4.320 0.001 0.000 0.211 225 A C 2.129 179.260 177.584 -0.755 0.000 1.169 225 A CA 0.631 52.369 52.037 -0.498 0.000 0.787 225 A CB -0.070 18.767 19.000 -0.272 0.000 0.858 225 A HN 0.311 nan 8.150 nan 0.000 0.474 226 M N 1.173 120.543 119.600 -0.382 0.000 2.202 226 M HA -0.182 4.299 4.480 0.001 0.000 0.262 226 M C 2.022 178.164 176.300 -0.263 0.000 1.063 226 M CA 1.967 57.098 55.300 -0.281 0.000 1.097 226 M CB -0.902 31.609 32.600 -0.149 0.000 1.382 226 M HN 0.700 nan 8.290 nan 0.000 0.413 227 K N 0.163 120.420 120.400 -0.240 0.000 2.281 227 K HA -0.183 4.138 4.320 0.001 0.000 0.203 227 K C 0.991 177.613 176.600 0.038 0.000 1.046 227 K CA 1.671 57.917 56.287 -0.068 0.000 0.938 227 K CB -0.686 31.822 32.500 0.013 0.000 0.737 227 K HN 0.519 nan 8.250 nan 0.000 0.458 228 Y N -0.501 119.841 120.300 0.069 0.000 2.660 228 Y HA 0.458 5.008 4.550 0.001 0.000 0.254 228 Y C -0.553 175.406 175.900 0.099 0.000 1.176 228 Y CA -1.079 57.096 58.100 0.125 0.000 1.195 228 Y CB 0.041 38.542 38.460 0.069 0.000 1.190 228 Y HN -0.223 nan 8.280 nan 0.000 0.535 229 T N 2.956 117.483 114.554 -0.046 0.000 2.807 229 T HA 0.569 4.920 4.350 0.001 0.000 0.279 229 T C -0.430 174.299 174.700 0.048 0.000 0.993 229 T CA -0.439 61.672 62.100 0.018 0.000 0.970 229 T CB 1.652 70.465 68.868 -0.093 0.000 0.950 229 T HN 0.151 nan 8.240 nan 0.000 0.441 230 I N 2.630 123.259 120.570 0.098 0.000 2.336 230 I HA 0.416 4.587 4.170 0.001 0.000 0.292 230 I C -0.368 175.805 176.117 0.093 0.000 0.991 230 I CA -0.988 60.366 61.300 0.090 0.000 1.227 230 I CB 1.435 39.503 38.000 0.113 0.000 1.366 230 I HN 0.221 nan 8.210 nan 0.000 0.466 231 V N 7.502 127.465 119.914 0.082 0.000 2.328 231 V HA 0.243 4.363 4.120 0.001 0.000 0.278 231 V C 0.052 176.187 176.094 0.070 0.000 1.021 231 V CA -0.593 61.774 62.300 0.111 0.000 0.838 231 V CB 1.704 33.605 31.823 0.129 0.000 0.999 231 V HN 0.421 nan 8.190 nan 0.000 0.447 232 V N 4.839 124.780 119.914 0.045 0.000 2.294 232 V HA 0.368 4.488 4.120 0.001 0.000 0.272 232 V C 0.374 176.468 176.094 -0.000 0.000 1.027 232 V CA -0.031 62.282 62.300 0.021 0.000 0.823 232 V CB 1.511 33.342 31.823 0.012 0.000 1.030 232 V HN 0.850 nan 8.190 nan 0.000 0.457 233 S N 4.932 120.643 115.700 0.019 0.000 2.498 233 S HA 0.740 5.210 4.470 0.001 0.000 0.324 233 S C -0.080 174.529 174.600 0.015 0.000 1.071 233 S CA -0.235 57.973 58.200 0.014 0.000 1.113 233 S CB 1.097 64.322 63.200 0.043 0.000 0.976 233 S HN 0.932 nan 8.310 nan 0.000 0.462 234 A N 4.891 127.713 122.820 0.004 0.000 2.511 234 A HA 0.602 4.923 4.320 0.001 0.000 0.340 234 A C 0.641 178.232 177.584 0.011 0.000 1.396 234 A CA -0.677 51.367 52.037 0.011 0.000 0.887 234 A CB -0.187 18.819 19.000 0.010 0.000 1.145 234 A HN 0.889 nan 8.150 nan 0.000 0.497 235 T N -0.820 113.744 114.554 0.017 0.000 2.771 235 T HA 0.519 4.870 4.350 0.001 0.000 0.290 235 T C 1.587 176.297 174.700 0.017 0.000 1.005 235 T CA 0.030 62.141 62.100 0.019 0.000 0.944 235 T CB 0.831 69.713 68.868 0.025 0.000 1.147 235 T HN 0.877 nan 8.240 nan 0.000 0.534 236 A N 0.572 123.403 122.820 0.019 0.000 2.019 236 A HA -0.005 4.316 4.320 0.001 0.000 0.219 236 A C 2.339 179.931 177.584 0.013 0.000 1.164 236 A CA 1.620 53.667 52.037 0.017 0.000 0.644 236 A CB -1.157 17.855 19.000 0.019 0.000 0.805 236 A HN 1.009 nan 8.150 nan 0.000 0.449 237 S N -0.682 115.026 115.700 0.013 0.000 2.577 237 S HA 0.119 4.589 4.470 0.001 0.000 0.219 237 S C -0.350 174.255 174.600 0.008 0.000 0.962 237 S CA -0.428 57.777 58.200 0.009 0.000 0.921 237 S CB -0.132 63.074 63.200 0.011 0.000 0.789 237 S HN 0.345 nan 8.310 nan 0.000 0.497 238 D N 3.118 123.523 120.400 0.008 0.000 2.277 238 D HA 0.524 5.165 4.640 0.001 0.000 0.249 238 D C 0.515 176.806 176.300 -0.014 0.000 1.134 238 D CA 0.109 54.111 54.000 0.003 0.000 0.863 238 D CB 1.526 42.330 40.800 0.007 0.000 1.143 238 D HN 0.458 nan 8.370 nan 0.000 0.458 239 A N 2.117 124.921 122.820 -0.027 0.000 2.639 239 A HA 0.149 4.469 4.320 0.001 0.000 0.229 239 A C 1.572 179.108 177.584 -0.079 0.000 1.062 239 A CA 0.646 52.650 52.037 -0.055 0.000 0.761 239 A CB 0.128 19.085 19.000 -0.072 0.000 0.988 239 A HN 0.687 nan 8.150 nan 0.000 0.510 240 A N 3.012 125.792 122.820 -0.067 0.000 1.873 240 A HA -0.113 4.207 4.320 0.001 0.000 0.218 240 A C 0.236 177.795 177.584 -0.042 0.000 1.193 240 A CA 2.076 54.088 52.037 -0.042 0.000 0.629 240 A CB -1.725 17.249 19.000 -0.043 0.000 0.826 240 A HN 0.728 nan 8.150 nan 0.000 0.447 241 P HA -0.137 nan 4.420 nan 0.000 0.219 241 P C 1.509 178.716 177.300 -0.155 0.000 1.146 241 P CA 0.976 63.987 63.100 -0.149 0.000 0.808 241 P CB -0.210 31.161 31.700 -0.548 0.000 0.779 242 L N -0.384 120.681 121.223 -0.264 0.000 2.027 242 L HA -0.161 4.179 4.340 0.001 0.000 0.206 242 L C 2.888 179.755 176.870 -0.005 0.000 1.074 242 L CA 1.550 56.314 54.840 -0.127 0.000 0.745 242 L CB -1.211 40.798 42.059 -0.084 0.000 0.898 242 L HN -0.043 nan 8.230 nan 0.000 0.433 243 Q N -1.054 118.757 119.800 0.018 0.000 2.291 243 Q HA -0.255 4.086 4.340 0.001 0.000 0.206 243 Q C 2.004 178.076 176.000 0.119 0.000 0.976 243 Q CA 1.677 57.512 55.803 0.054 0.000 0.875 243 Q CB -0.277 28.492 28.738 0.053 0.000 0.927 243 Q HN 0.545 nan 8.270 nan 0.000 0.450 244 Y N 0.767 121.084 120.300 0.029 0.000 2.220 244 Y HA -0.083 4.468 4.550 0.003 0.000 0.291 244 Y C 1.621 177.626 175.900 0.174 0.000 1.129 244 Y CA 1.063 59.221 58.100 0.098 0.000 1.161 244 Y CB -0.108 38.425 38.460 0.123 0.000 0.997 244 Y HN -0.038 nan 8.280 nan 0.000 0.522 245 L N -0.159 121.015 121.223 -0.082 0.000 2.209 245 L HA 0.008 4.348 4.340 0.001 0.000 0.207 245 L C 2.786 179.674 176.870 0.031 0.000 1.094 245 L CA 0.715 55.504 54.840 -0.085 0.000 0.790 245 L CB -0.917 41.137 42.059 -0.008 0.000 0.932 245 L HN 0.324 nan 8.230 nan 0.000 0.447 246 A N 1.250 124.074 122.820 0.006 0.000 1.896 246 A HA -0.203 4.117 4.320 0.001 0.000 0.220 246 A C -0.089 177.483 177.584 -0.021 0.000 1.206 246 A CA 2.165 54.204 52.037 0.003 0.000 0.647 246 A CB -1.922 17.077 19.000 -0.003 0.000 0.828 246 A HN 0.274 nan 8.150 nan 0.000 0.455 247 P HA -0.162 nan 4.420 nan 0.000 0.215 247 P C 0.981 178.143 177.300 -0.230 0.000 1.153 247 P CA 1.439 64.413 63.100 -0.210 0.000 0.853 247 P CB -0.247 31.038 31.700 -0.692 0.000 0.788 248 Y N -0.234 120.007 120.300 -0.098 0.000 2.145 248 Y HA -0.160 4.391 4.550 0.001 0.000 0.286 248 Y C 2.675 178.566 175.900 -0.016 0.000 1.145 248 Y CA 1.484 59.532 58.100 -0.086 0.000 1.148 248 Y CB -1.376 36.973 38.460 -0.184 0.000 0.981 248 Y HN -0.087 nan 8.280 nan 0.000 0.507 249 S N 0.032 115.805 115.700 0.122 0.000 2.359 249 S HA -0.209 4.261 4.470 0.001 0.000 0.224 249 S C 2.405 177.050 174.600 0.075 0.000 1.035 249 S CA 1.277 59.526 58.200 0.082 0.000 1.018 249 S CB -1.156 62.082 63.200 0.064 0.000 0.876 249 S HN 0.672 nan 8.310 nan 0.000 0.448 250 G N 0.248 109.094 108.800 0.078 0.000 2.446 250 G HA2 -0.284 3.677 3.960 0.001 0.000 0.217 250 G HA3 -0.284 3.677 3.960 0.001 0.000 0.217 250 G C 1.741 176.702 174.900 0.102 0.000 1.168 250 G CA 1.072 46.217 45.100 0.075 0.000 0.771 250 G HN 0.589 nan 8.290 nan 0.000 0.551 251 C N 0.433 119.826 119.300 0.155 0.000 2.413 251 C HA -0.027 4.434 4.460 0.001 0.000 0.276 251 C C 3.283 178.348 174.990 0.126 0.000 1.236 251 C CA 1.749 60.870 59.018 0.171 0.000 1.735 251 C CB -0.992 26.859 27.740 0.185 0.000 2.031 251 C HN 0.358 nan 8.230 nan 0.000 0.474 252 S N 0.369 116.133 115.700 0.106 0.000 2.368 252 S HA -0.182 4.288 4.470 0.001 0.000 0.225 252 S C 1.725 176.363 174.600 0.064 0.000 1.030 252 S CA 2.125 60.372 58.200 0.079 0.000 0.999 252 S CB -0.376 62.861 63.200 0.062 0.000 0.844 252 S HN 0.663 nan 8.310 nan 0.000 0.459 253 M N 0.697 120.331 119.600 0.057 0.000 2.149 253 M HA -0.068 4.413 4.480 0.001 0.000 0.261 253 M C 2.285 178.642 176.300 0.095 0.000 1.064 253 M CA 1.513 56.828 55.300 0.024 0.000 1.102 253 M CB -0.605 32.019 32.600 0.040 0.000 1.369 253 M HN 0.421 nan 8.290 nan 0.000 0.408 254 G N -0.538 108.380 108.800 0.195 0.000 2.572 254 G HA2 -0.106 3.855 3.960 0.001 0.000 0.216 254 G HA3 -0.106 3.855 3.960 0.001 0.000 0.216 254 G C 1.314 176.381 174.900 0.277 0.000 1.133 254 G CA 0.276 45.582 45.100 0.343 0.000 0.791 254 G HN 0.482 nan 8.290 nan 0.000 0.538 255 E N -0.709 119.581 120.200 0.150 0.000 2.230 255 E HA -0.047 4.304 4.350 0.001 0.000 0.192 255 E C 1.788 178.415 176.600 0.045 0.000 0.987 255 E CA 0.085 56.544 56.400 0.099 0.000 0.841 255 E CB -0.158 29.585 29.700 0.071 0.000 0.783 255 E HN 0.590 nan 8.360 nan 0.000 0.481 256 Y N 0.610 120.812 120.300 -0.164 0.000 2.151 256 Y HA -0.312 4.238 4.550 0.000 0.000 0.284 256 Y C 1.608 177.324 175.900 -0.307 0.000 1.166 256 Y CA 1.743 59.657 58.100 -0.310 0.000 1.163 256 Y CB -0.250 37.885 38.460 -0.542 0.000 0.974 256 Y HN -0.043 nan 8.280 nan 0.000 0.511 257 F N -0.144 119.896 119.950 0.150 0.000 2.098 257 F HA -0.088 4.440 4.527 0.001 0.000 0.294 257 F C 2.782 178.547 175.800 -0.057 0.000 1.107 257 F CA 1.473 59.500 58.000 0.045 0.000 1.234 257 F CB -0.708 38.381 39.000 0.148 0.000 1.002 257 F HN -0.155 nan 8.300 nan 0.000 0.472 258 R N 0.803 121.404 120.500 0.168 0.000 2.113 258 R HA -0.214 4.126 4.340 0.001 0.000 0.244 258 R C 1.487 177.780 176.300 -0.012 0.000 1.142 258 R CA 2.382 58.516 56.100 0.056 0.000 0.953 258 R CB -0.484 29.859 30.300 0.073 0.000 0.860 258 R HN 0.211 nan 8.270 nan 0.000 0.438 259 D N -0.206 120.167 120.400 -0.044 0.000 2.234 259 D HA -0.040 4.601 4.640 0.001 0.000 0.205 259 D C 0.419 176.653 176.300 -0.110 0.000 0.962 259 D CA 0.778 54.744 54.000 -0.056 0.000 0.855 259 D CB -0.102 40.662 40.800 -0.060 0.000 0.951 259 D HN 0.248 nan 8.370 nan 0.000 0.500 260 N N 0.125 118.703 118.700 -0.204 0.000 2.451 260 N HA 0.207 4.947 4.740 0.001 0.000 0.264 260 N C 0.814 176.251 175.510 -0.121 0.000 1.167 260 N CA 0.223 53.141 53.050 -0.221 0.000 0.898 260 N CB 1.257 39.480 38.487 -0.439 0.000 1.176 260 N HN 0.129 nan 8.380 nan 0.000 0.507 261 G N 0.650 109.396 108.800 -0.090 0.000 2.159 261 G HA2 -0.289 3.672 3.960 0.001 0.000 0.256 261 G HA3 -0.289 3.672 3.960 0.001 0.000 0.256 261 G C 0.273 175.085 174.900 -0.147 0.000 0.977 261 G CA 0.327 45.376 45.100 -0.084 0.000 0.652 261 G HN 0.352 nan 8.290 nan 0.000 0.531 262 K N -0.532 119.790 120.400 -0.131 0.000 2.312 262 K HA 0.725 5.046 4.320 0.001 0.000 0.236 262 K C -0.398 176.017 176.600 -0.308 0.000 1.079 262 K CA -0.969 55.248 56.287 -0.116 0.000 0.900 262 K CB 0.982 33.635 32.500 0.255 0.000 1.297 262 K HN 0.299 nan 8.250 nan 0.000 0.498 263 H N -0.428 118.745 119.070 0.173 0.000 2.589 263 H HA 0.540 5.097 4.556 0.001 0.000 0.351 263 H C -1.147 174.219 175.328 0.063 0.000 1.074 263 H CA -0.811 55.290 56.048 0.088 0.000 1.203 263 H CB 1.937 31.695 29.762 -0.008 0.000 1.558 263 H HN 0.650 nan 8.280 nan 0.000 0.522 264 A N 2.838 125.766 122.820 0.181 0.000 2.413 264 A HA 0.582 4.903 4.320 0.001 0.000 0.307 264 A C -1.297 176.332 177.584 0.075 0.000 1.087 264 A CA -0.702 51.394 52.037 0.098 0.000 0.750 264 A CB 1.932 21.071 19.000 0.231 0.000 1.296 264 A HN 0.468 nan 8.150 nan 0.000 0.423 265 L N 1.570 122.816 121.223 0.037 0.000 2.341 265 L HA 0.765 5.105 4.340 0.001 0.000 0.278 265 L C -1.063 175.797 176.870 -0.018 0.000 1.005 265 L CA -0.403 54.443 54.840 0.010 0.000 0.818 265 L CB 1.303 43.367 42.059 0.009 0.000 1.259 265 L HN 0.666 nan 8.230 nan 0.000 0.418 266 I N 5.247 125.758 120.570 -0.098 0.000 2.406 266 I HA 0.505 4.675 4.170 0.001 0.000 0.290 266 I C -1.197 174.688 176.117 -0.387 0.000 0.999 266 I CA -0.505 60.633 61.300 -0.270 0.000 1.124 266 I CB 1.368 39.130 38.000 -0.398 0.000 1.289 266 I HN 0.584 nan 8.210 nan 0.000 0.441 267 I N 8.235 128.604 120.570 -0.335 0.000 2.362 267 I HA 0.276 4.446 4.170 0.001 0.000 0.289 267 I C -1.087 174.774 176.117 -0.428 0.000 0.994 267 I CA -0.090 61.057 61.300 -0.256 0.000 1.158 267 I CB 1.078 39.115 38.000 0.061 0.000 1.315 267 I HN 0.342 nan 8.210 nan 0.000 0.451 268 Y N 4.352 124.566 120.300 -0.143 0.000 2.353 268 Y HA 0.461 5.012 4.550 0.002 0.000 0.340 268 Y C -0.071 175.705 175.900 -0.207 0.000 0.972 268 Y CA -0.603 57.371 58.100 -0.210 0.000 1.157 268 Y CB 1.010 39.339 38.460 -0.217 0.000 1.157 268 Y HN 0.401 nan 8.280 nan 0.000 0.495 269 D N 3.579 123.895 120.400 -0.139 0.000 2.358 269 D HA 0.185 4.826 4.640 0.001 0.000 0.253 269 D C -1.331 174.908 176.300 -0.101 0.000 1.288 269 D CA -0.527 53.396 54.000 -0.128 0.000 0.950 269 D CB 0.519 41.209 40.800 -0.183 0.000 1.197 269 D HN 0.689 nan 8.370 nan 0.000 0.550 270 D N 0.618 120.989 120.400 -0.048 0.000 2.654 270 D HA 0.347 4.987 4.640 0.001 0.000 0.255 270 D C 0.878 177.141 176.300 -0.062 0.000 1.101 270 D CA -0.713 53.261 54.000 -0.044 0.000 1.116 270 D CB 1.167 41.951 40.800 -0.027 0.000 1.348 270 D HN 0.139 nan 8.370 nan 0.000 0.609 271 L N -0.336 120.818 121.223 -0.115 0.000 2.463 271 L HA 0.059 4.400 4.340 0.001 0.000 0.219 271 L C 1.947 178.801 176.870 -0.027 0.000 1.088 271 L CA 0.167 54.895 54.840 -0.186 0.000 0.849 271 L CB -0.276 41.448 42.059 -0.557 0.000 1.012 271 L HN 0.381 nan 8.230 nan 0.000 0.468 272 S N 0.696 116.389 115.700 -0.012 0.000 2.368 272 S HA -0.245 4.225 4.470 0.001 0.000 0.226 272 S C 1.931 176.602 174.600 0.118 0.000 1.044 272 S CA 1.620 59.858 58.200 0.062 0.000 1.062 272 S CB -0.184 63.044 63.200 0.047 0.000 0.931 272 S HN 0.368 nan 8.310 nan 0.000 0.440 273 K N 0.783 121.231 120.400 0.080 0.000 2.097 273 K HA -0.096 4.224 4.320 0.001 0.000 0.205 273 K C 2.526 179.192 176.600 0.110 0.000 1.050 273 K CA 0.921 57.259 56.287 0.085 0.000 0.938 273 K CB -0.190 32.340 32.500 0.049 0.000 0.718 273 K HN 0.375 nan 8.250 nan 0.000 0.442 274 Q N 0.649 120.514 119.800 0.108 0.000 2.061 274 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 274 Q C 2.081 178.216 176.000 0.225 0.000 0.984 274 Q CA 1.755 57.647 55.803 0.149 0.000 0.846 274 Q CB -0.116 28.692 28.738 0.118 0.000 0.902 274 Q HN 0.326 nan 8.270 nan 0.000 0.421 275 A N 0.032 123.006 122.820 0.256 0.000 1.908 275 A HA -0.151 4.169 4.320 0.001 0.000 0.218 275 A C 2.256 180.077 177.584 0.394 0.000 1.181 275 A CA 1.593 53.800 52.037 0.283 0.000 0.627 275 A CB -0.865 18.257 19.000 0.203 0.000 0.818 275 A HN 0.312 nan 8.150 nan 0.000 0.445 276 V N -0.178 119.925 119.914 0.315 0.000 2.332 276 V HA -0.303 3.817 4.120 0.001 0.000 0.248 276 V C 3.050 179.215 176.094 0.119 0.000 1.055 276 V CA 2.106 64.523 62.300 0.194 0.000 1.038 276 V CB -1.139 30.766 31.823 0.137 0.000 0.651 276 V HN 0.642 nan 8.190 nan 0.000 0.450 277 A N -1.415 121.488 122.820 0.137 0.000 1.930 277 A HA -0.254 4.067 4.320 0.001 0.000 0.217 277 A C 2.139 179.780 177.584 0.095 0.000 1.175 277 A CA 1.985 54.082 52.037 0.099 0.000 0.627 277 A CB -0.699 18.372 19.000 0.118 0.000 0.815 277 A HN 0.622 nan 8.150 nan 0.000 0.443 278 Y N 0.228 120.539 120.300 0.018 0.000 2.200 278 Y HA -0.142 4.409 4.550 0.002 0.000 0.290 278 Y C 2.505 178.378 175.900 -0.046 0.000 1.137 278 Y CA 1.892 59.952 58.100 -0.066 0.000 1.163 278 Y CB -0.370 38.078 38.460 -0.020 0.000 0.988 278 Y HN 0.317 nan 8.280 nan 0.000 0.518 279 R N 0.301 120.829 120.500 0.046 0.000 2.117 279 R HA -0.281 4.059 4.340 0.001 0.000 0.243 279 R C 2.413 178.613 176.300 -0.165 0.000 1.143 279 R CA 2.072 58.113 56.100 -0.099 0.000 0.968 279 R CB -0.374 29.794 30.300 -0.221 0.000 0.863 279 R HN 0.556 nan 8.270 nan 0.000 0.444 280 Q N 0.133 119.862 119.800 -0.119 0.000 2.020 280 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 280 Q C 2.120 178.029 176.000 -0.152 0.000 0.982 280 Q CA 2.151 57.887 55.803 -0.113 0.000 0.838 280 Q CB -0.072 28.624 28.738 -0.070 0.000 0.899 280 Q HN 0.409 nan 8.270 nan 0.000 0.423 281 M N -0.261 119.217 119.600 -0.203 0.000 2.117 281 M HA -0.165 4.316 4.480 0.001 0.000 0.262 281 M C 2.379 178.511 176.300 -0.280 0.000 1.065 281 M CA 1.425 56.583 55.300 -0.238 0.000 1.114 281 M CB -0.030 32.387 32.600 -0.306 0.000 1.361 281 M HN 0.131 nan 8.290 nan 0.000 0.408 282 S N 0.769 116.232 115.700 -0.395 0.000 2.345 282 S HA -0.068 4.402 4.470 0.001 0.000 0.220 282 S C 1.843 176.332 174.600 -0.185 0.000 1.031 282 S CA 1.189 59.186 58.200 -0.337 0.000 0.996 282 S CB -0.450 62.517 63.200 -0.389 0.000 0.882 282 S HN 0.369 nan 8.310 nan 0.000 0.445 283 L N 1.097 122.224 121.223 -0.160 0.000 2.042 283 L HA -0.121 4.219 4.340 0.001 0.000 0.210 283 L C 2.222 179.040 176.870 -0.088 0.000 1.076 283 L CA 1.092 55.866 54.840 -0.109 0.000 0.749 283 L CB -0.577 41.418 42.059 -0.107 0.000 0.893 283 L HN 0.282 nan 8.230 nan 0.000 0.432 284 L N -0.793 120.373 121.223 -0.095 0.000 2.156 284 L HA -0.154 4.186 4.340 0.001 0.000 0.208 284 L C 2.244 179.077 176.870 -0.060 0.000 1.095 284 L CA 0.766 55.565 54.840 -0.070 0.000 0.770 284 L CB -0.245 41.774 42.059 -0.066 0.000 0.914 284 L HN 0.265 nan 8.230 nan 0.000 0.439 285 L N -0.565 120.610 121.223 -0.079 0.000 2.622 285 L HA -0.047 4.293 4.340 0.001 0.000 0.233 285 L C 0.840 177.680 176.870 -0.050 0.000 1.156 285 L CA 0.315 55.117 54.840 -0.062 0.000 0.866 285 L CB -0.220 41.790 42.059 -0.083 0.000 0.980 285 L HN 0.272 nan 8.230 nan 0.000 0.448 286 R N -0.341 120.126 120.500 -0.055 0.000 3.776 286 R HA -0.147 4.193 4.340 0.001 0.000 0.312 286 R C 0.084 176.363 176.300 -0.036 0.000 1.181 286 R CA 0.367 56.442 56.100 -0.041 0.000 0.836 286 R CB -1.396 28.888 30.300 -0.026 0.000 1.324 286 R HN 0.335 nan 8.270 nan 0.000 0.501 287 R N 0.526 120.996 120.500 -0.050 0.000 2.615 287 R HA 0.222 4.563 4.340 0.001 0.000 0.270 287 R C -2.117 174.167 176.300 -0.027 0.000 1.081 287 R CA -1.532 54.546 56.100 -0.036 0.000 1.154 287 R CB 0.286 30.553 30.300 -0.055 0.000 1.063 287 R HN -0.126 nan 8.270 nan 0.000 0.519 288 P HA 0.108 nan 4.420 nan 0.000 0.276 288 P C -2.378 174.925 177.300 0.006 0.000 1.243 288 P CA -1.099 62.001 63.100 -0.001 0.000 0.768 288 P CB 0.347 32.053 31.700 0.009 0.000 0.856 289 P HA 0.278 nan 4.420 nan 0.000 0.284 289 P C 0.028 177.334 177.300 0.010 0.000 1.253 289 P CA 0.050 63.149 63.100 -0.001 0.000 0.800 289 P CB 1.490 33.174 31.700 -0.026 0.000 0.961 290 G N 2.013 110.833 108.800 0.034 0.000 3.135 290 G HA2 0.364 4.325 3.960 0.001 0.000 0.159 290 G HA3 0.364 4.325 3.960 0.001 0.000 0.159 290 G C -0.612 174.274 174.900 -0.024 0.000 1.244 290 G CA -0.945 44.156 45.100 0.002 0.000 0.965 290 G HN 0.554 nan 8.290 nan 0.000 0.599 291 R N 0.479 120.898 120.500 -0.134 0.000 2.504 291 R HA 0.069 4.409 4.340 0.001 0.000 0.291 291 R C 0.180 176.516 176.300 0.060 0.000 0.974 291 R CA 1.142 57.150 56.100 -0.152 0.000 1.077 291 R CB -0.273 29.770 30.300 -0.429 0.000 0.926 291 R HN 0.720 nan 8.270 nan 0.000 0.407 292 E N 2.492 122.751 120.200 0.099 0.000 3.065 292 E HA -0.340 4.010 4.350 0.001 0.000 0.277 292 E C 0.255 176.861 176.600 0.009 0.000 1.008 292 E CA 0.557 57.059 56.400 0.169 0.000 0.864 292 E CB -1.163 28.803 29.700 0.443 0.000 1.439 292 E HN 0.904 nan 8.360 nan 0.000 0.445 293 A N -2.216 120.598 122.820 -0.009 0.000 2.979 293 A HA -0.299 4.021 4.320 0.001 0.000 0.260 293 A C 0.033 177.543 177.584 -0.123 0.000 1.282 293 A CA 1.718 53.704 52.037 -0.086 0.000 0.971 293 A CB -2.224 16.694 19.000 -0.137 0.000 1.124 293 A HN 0.440 nan 8.150 nan 0.000 0.826 294 Y N 0.395 120.771 120.300 0.128 0.000 2.336 294 Y HA 0.445 4.995 4.550 0.000 0.000 0.331 294 Y C -1.151 174.854 175.900 0.174 0.000 1.211 294 Y CA -1.133 57.085 58.100 0.196 0.000 1.346 294 Y CB 0.453 39.149 38.460 0.394 0.000 1.271 294 Y HN 0.267 nan 8.280 nan 0.000 0.538 295 P HA 0.082 nan 4.420 nan 0.000 0.277 295 P C 0.521 177.993 177.300 0.288 0.000 1.271 295 P CA -0.292 62.940 63.100 0.220 0.000 0.795 295 P CB 0.770 32.556 31.700 0.143 0.000 1.101 296 G N 0.238 109.165 108.800 0.212 0.000 2.625 296 G HA2 -0.153 3.808 3.960 0.001 0.000 0.214 296 G HA3 -0.153 3.808 3.960 0.001 0.000 0.214 296 G C 0.465 175.515 174.900 0.251 0.000 1.132 296 G CA 0.379 45.606 45.100 0.211 0.000 0.782 296 G HN 0.621 nan 8.290 nan 0.000 0.538 297 D N -0.257 120.320 120.400 0.296 0.000 2.463 297 D HA 0.106 4.747 4.640 0.001 0.000 0.224 297 D C 1.630 178.104 176.300 0.289 0.000 1.174 297 D CA -0.457 53.753 54.000 0.350 0.000 0.829 297 D CB 0.120 41.157 40.800 0.396 0.000 0.993 297 D HN 0.063 nan 8.370 nan 0.000 0.497 298 V N -0.239 119.824 119.914 0.249 0.000 2.453 298 V HA -0.079 4.041 4.120 0.001 0.000 0.247 298 V C 1.837 177.867 176.094 -0.108 0.000 1.048 298 V CA 1.169 63.493 62.300 0.039 0.000 1.049 298 V CB -0.617 31.228 31.823 0.036 0.000 0.672 298 V HN 0.230 nan 8.190 nan 0.000 0.457 299 F N -0.224 119.667 119.950 -0.099 0.000 2.095 299 F HA -0.252 4.276 4.527 0.000 0.000 0.298 299 F C 2.252 178.085 175.800 0.056 0.000 1.104 299 F CA 2.426 60.393 58.000 -0.055 0.000 1.232 299 F CB -0.484 38.518 39.000 0.004 0.000 0.987 299 F HN 0.350 nan 8.300 nan 0.000 0.475 300 Y N 0.906 121.338 120.300 0.220 0.000 2.128 300 Y HA -0.261 4.288 4.550 -0.001 0.000 0.284 300 Y C 2.238 178.118 175.900 -0.032 0.000 1.154 300 Y CA 1.726 59.898 58.100 0.120 0.000 1.149 300 Y CB -1.209 37.327 38.460 0.128 0.000 0.976 300 Y HN 0.246 nan 8.280 nan 0.000 0.505 301 L N 0.072 121.224 121.223 -0.118 0.000 1.963 301 L HA -0.343 3.998 4.340 0.001 0.000 0.220 301 L C 2.486 179.282 176.870 -0.123 0.000 1.076 301 L CA 2.706 57.382 54.840 -0.274 0.000 0.772 301 L CB -1.052 40.710 42.059 -0.495 0.000 0.892 301 L HN 0.381 nan 8.230 nan 0.000 0.435 302 H N -1.682 117.265 119.070 -0.205 0.000 2.389 302 H HA -0.098 4.459 4.556 0.002 0.000 0.299 302 H C 2.386 177.534 175.328 -0.299 0.000 1.081 302 H CA 1.016 56.888 56.048 -0.294 0.000 1.345 302 H CB -0.043 29.514 29.762 -0.341 0.000 1.393 302 H HN 0.592 nan 8.280 nan 0.000 0.520 303 S N 1.415 116.987 115.700 -0.213 0.000 2.406 303 S HA -0.167 4.304 4.470 0.001 0.000 0.228 303 S C 2.063 176.650 174.600 -0.020 0.000 1.020 303 S CA 0.926 59.001 58.200 -0.208 0.000 0.965 303 S CB -0.139 62.878 63.200 -0.305 0.000 0.798 303 S HN 0.546 nan 8.310 nan 0.000 0.488 304 R N 0.289 120.819 120.500 0.050 0.000 2.193 304 R HA 0.181 4.522 4.340 0.001 0.000 0.213 304 R C 2.200 178.539 176.300 0.065 0.000 1.055 304 R CA 0.851 56.998 56.100 0.079 0.000 0.995 304 R CB -0.650 29.693 30.300 0.072 0.000 0.893 304 R HN 0.426 nan 8.270 nan 0.000 0.459 305 L N 1.423 122.660 121.223 0.023 0.000 2.005 305 L HA -0.018 4.323 4.340 0.001 0.000 0.207 305 L C 2.089 178.900 176.870 -0.099 0.000 1.072 305 L CA 1.630 56.404 54.840 -0.111 0.000 0.744 305 L CB -0.251 41.519 42.059 -0.481 0.000 0.895 305 L HN 0.193 nan 8.230 nan 0.000 0.433 306 L N -0.732 120.420 121.223 -0.118 0.000 2.395 306 L HA -0.043 4.297 4.340 0.001 0.000 0.218 306 L C 2.372 179.234 176.870 -0.014 0.000 1.130 306 L CA 0.290 55.092 54.840 -0.063 0.000 0.826 306 L CB -0.601 41.394 42.059 -0.107 0.000 0.941 306 L HN 0.251 nan 8.230 nan 0.000 0.451 307 E N 0.704 120.900 120.200 -0.006 0.000 2.204 307 E HA -0.140 4.211 4.350 0.001 0.000 0.194 307 E C 2.073 178.687 176.600 0.024 0.000 0.989 307 E CA 0.779 57.188 56.400 0.014 0.000 0.824 307 E CB -0.007 29.710 29.700 0.028 0.000 0.756 307 E HN 0.447 nan 8.360 nan 0.000 0.477 308 R N 0.407 120.929 120.500 0.036 0.000 2.357 308 R HA 0.070 4.410 4.340 0.001 0.000 0.202 308 R C 0.688 177.022 176.300 0.057 0.000 1.047 308 R CA 0.335 56.465 56.100 0.049 0.000 1.034 308 R CB 0.060 30.401 30.300 0.068 0.000 0.875 308 R HN -0.067 nan 8.270 nan 0.000 0.473 309 A N 0.994 123.847 122.820 0.055 0.000 2.331 309 A HA 0.717 5.037 4.320 0.001 0.000 0.283 309 A C -0.328 177.276 177.584 0.033 0.000 1.142 309 A CA -0.117 51.953 52.037 0.055 0.000 0.812 309 A CB 0.828 19.864 19.000 0.059 0.000 1.074 309 A HN 0.246 nan 8.150 nan 0.000 0.497 310 A N 1.756 124.595 122.820 0.033 0.000 2.581 310 A HA 0.594 4.914 4.320 0.001 0.000 0.294 310 A C -0.993 176.605 177.584 0.023 0.000 1.035 310 A CA -0.707 51.340 52.037 0.016 0.000 0.684 310 A CB 0.791 19.788 19.000 -0.005 0.000 1.282 310 A HN 0.976 nan 8.150 nan 0.000 0.417 311 K N 2.478 122.887 120.400 0.015 0.000 2.281 311 K HA 0.609 4.929 4.320 0.001 0.000 0.272 311 K C -0.267 176.334 176.600 0.002 0.000 1.048 311 K CA -0.284 56.019 56.287 0.027 0.000 0.898 311 K CB 0.321 32.839 32.500 0.029 0.000 1.128 311 K HN 0.625 nan 8.250 nan 0.000 0.460 312 M N 3.112 122.716 119.600 0.007 0.000 2.255 312 M HA 0.180 4.661 4.480 0.001 0.000 0.336 312 M C 0.294 176.613 176.300 0.031 0.000 1.135 312 M CA -0.639 54.653 55.300 -0.013 0.000 1.145 312 M CB 0.470 33.078 32.600 0.013 0.000 1.473 312 M HN 0.734 nan 8.290 nan 0.000 0.462 313 N N 0.941 119.667 118.700 0.043 0.000 2.381 313 N HA 0.073 4.813 4.740 0.001 0.000 0.254 313 N C 0.095 175.684 175.510 0.133 0.000 1.264 313 N CA -0.271 52.834 53.050 0.091 0.000 0.942 313 N CB 0.423 38.970 38.487 0.101 0.000 1.190 313 N HN 0.393 nan 8.380 nan 0.000 0.495 314 D N -0.267 120.192 120.400 0.098 0.000 2.123 314 D HA -0.154 4.486 4.640 0.001 0.000 0.196 314 D C 1.789 178.136 176.300 0.078 0.000 0.992 314 D CA 1.938 55.983 54.000 0.075 0.000 0.833 314 D CB -0.774 40.055 40.800 0.048 0.000 0.954 314 D HN 0.717 nan 8.370 nan 0.000 0.455 315 A N 0.027 122.911 122.820 0.107 0.000 1.986 315 A HA -0.192 4.128 4.320 0.001 0.000 0.220 315 A C 1.639 179.181 177.584 -0.070 0.000 1.171 315 A CA 1.166 53.225 52.037 0.035 0.000 0.640 315 A CB -0.763 18.290 19.000 0.089 0.000 0.811 315 A HN 0.218 nan 8.150 nan 0.000 0.451 316 F N -1.565 118.377 119.950 -0.013 0.000 2.664 316 F HA 0.408 4.936 4.527 0.001 0.000 0.303 316 F C 1.753 177.533 175.800 -0.032 0.000 1.092 316 F CA 0.605 58.592 58.000 -0.021 0.000 1.305 316 F CB 0.620 39.611 39.000 -0.016 0.000 1.054 316 F HN 0.373 nan 8.300 nan 0.000 0.565 317 G N -0.672 108.184 108.800 0.093 0.000 2.253 317 G HA2 -0.098 3.862 3.960 0.001 0.000 0.209 317 G HA3 -0.098 3.862 3.960 0.001 0.000 0.209 317 G C 1.253 176.168 174.900 0.025 0.000 0.997 317 G CA -0.177 44.941 45.100 0.031 0.000 0.640 317 G HN 0.942 nan 8.290 nan 0.000 0.496 318 G N -0.239 108.596 108.800 0.058 0.000 2.155 318 G HA2 0.161 4.122 3.960 0.001 0.000 0.257 318 G HA3 0.161 4.122 3.960 0.001 0.000 0.257 318 G C 1.465 176.366 174.900 0.002 0.000 0.983 318 G CA 1.214 46.342 45.100 0.046 0.000 0.676 318 G HN 2.061 nan 8.290 nan 0.000 0.528 319 G N -0.673 108.082 108.800 -0.075 0.000 2.535 319 G HA2 0.808 4.768 3.960 0.001 0.000 0.282 319 G HA3 0.808 4.768 3.960 0.001 0.000 0.282 319 G C 0.259 175.116 174.900 -0.072 0.000 1.350 319 G CA 0.837 45.789 45.100 -0.247 0.000 1.039 319 G HN 1.874 nan 8.290 nan 0.000 0.509 320 S N -2.109 113.569 115.700 -0.037 0.000 2.567 320 S HA 0.557 5.028 4.470 0.001 0.000 0.270 320 S C -1.667 173.009 174.600 0.128 0.000 1.152 320 S CA -0.772 57.493 58.200 0.108 0.000 0.835 320 S CB 1.760 65.090 63.200 0.218 0.000 1.115 320 S HN 1.185 nan 8.310 nan 0.000 0.459 321 L N 1.477 122.763 121.223 0.105 0.000 2.406 321 L HA 0.747 5.088 4.340 0.001 0.000 0.272 321 L C -0.830 176.082 176.870 0.070 0.000 0.980 321 L CA 0.223 55.125 54.840 0.103 0.000 0.831 321 L CB 1.926 44.047 42.059 0.104 0.000 1.253 321 L HN 0.935 nan 8.230 nan 0.000 0.406 322 T N 4.162 118.746 114.554 0.051 0.000 2.829 322 T HA 0.815 5.165 4.350 0.001 0.000 0.282 322 T C -0.280 174.417 174.700 -0.005 0.000 0.990 322 T CA -0.276 61.837 62.100 0.022 0.000 1.028 322 T CB 1.456 70.329 68.868 0.008 0.000 0.951 322 T HN 0.784 nan 8.240 nan 0.000 0.460 323 A N 3.536 126.357 122.820 0.001 0.000 2.287 323 A HA 0.701 5.022 4.320 0.001 0.000 0.317 323 A C -0.314 177.260 177.584 -0.016 0.000 1.220 323 A CA -0.755 51.275 52.037 -0.011 0.000 0.835 323 A CB 0.352 19.419 19.000 0.111 0.000 1.180 323 A HN 0.879 nan 8.150 nan 0.000 0.500 324 L N 4.864 126.054 121.223 -0.055 0.000 2.426 324 L HA 0.317 4.657 4.340 0.001 0.000 0.255 324 L C -2.254 174.609 176.870 -0.012 0.000 1.080 324 L CA -1.791 53.029 54.840 -0.033 0.000 0.960 324 L CB 0.910 42.952 42.059 -0.029 0.000 1.326 324 L HN 0.475 nan 8.230 nan 0.000 0.441 325 P HA 0.085 nan 4.420 nan 0.000 0.271 325 P C -0.383 176.895 177.300 -0.036 0.000 1.216 325 P CA -0.042 63.089 63.100 0.052 0.000 0.776 325 P CB 1.877 33.556 31.700 -0.034 0.000 0.881 326 V N 4.848 124.738 119.914 -0.040 0.000 2.459 326 V HA 0.400 4.521 4.120 0.001 0.000 0.295 326 V C 0.435 176.476 176.094 -0.088 0.000 1.029 326 V CA -0.575 61.691 62.300 -0.056 0.000 0.874 326 V CB 1.673 33.485 31.823 -0.019 0.000 0.985 326 V HN 0.435 nan 8.190 nan 0.000 0.438 327 I N 3.572 124.089 120.570 -0.088 0.000 2.466 327 I HA 0.391 4.561 4.170 0.001 0.000 0.289 327 I C -0.039 176.052 176.117 -0.043 0.000 1.026 327 I CA -0.346 60.905 61.300 -0.081 0.000 1.078 327 I CB 2.104 40.041 38.000 -0.105 0.000 1.249 327 I HN 0.757 nan 8.210 nan 0.000 0.429 328 E N 5.306 125.496 120.200 -0.018 0.000 2.167 328 E HA 0.314 4.664 4.350 0.001 0.000 0.284 328 E C -0.333 176.278 176.600 0.018 0.000 1.016 328 E CA -0.388 56.013 56.400 0.002 0.000 0.817 328 E CB 1.045 30.753 29.700 0.013 0.000 1.080 328 E HN 0.673 nan 8.360 nan 0.000 0.397 329 T N 2.234 116.805 114.554 0.028 0.000 2.816 329 T HA 0.269 4.620 4.350 0.001 0.000 0.282 329 T C -0.055 174.674 174.700 0.049 0.000 0.993 329 T CA -0.958 61.171 62.100 0.048 0.000 0.994 329 T CB 1.240 70.148 68.868 0.067 0.000 1.025 329 T HN 0.372 nan 8.240 nan 0.000 0.529 330 Q N 0.317 120.152 119.800 0.058 0.000 2.341 330 Q HA 0.534 4.874 4.340 0.001 0.000 0.268 330 Q C 0.212 176.243 176.000 0.053 0.000 1.013 330 Q CA -0.378 55.458 55.803 0.054 0.000 0.798 330 Q CB 1.375 30.149 28.738 0.061 0.000 1.253 330 Q HN 1.208 nan 8.270 nan 0.000 0.457 331 A N 2.252 125.100 122.820 0.047 0.000 2.640 331 A HA -0.141 4.179 4.320 0.001 0.000 0.300 331 A C 1.048 178.661 177.584 0.049 0.000 1.499 331 A CA 1.037 53.101 52.037 0.045 0.000 0.759 331 A CB -2.145 16.880 19.000 0.042 0.000 1.048 331 A HN 1.507 nan 8.150 nan 0.000 0.450 332 G N -0.448 108.385 108.800 0.055 0.000 2.395 332 G HA2 -0.162 3.798 3.960 0.001 0.000 0.300 332 G HA3 -0.162 3.798 3.960 0.001 0.000 0.300 332 G C -0.089 174.851 174.900 0.067 0.000 0.998 332 G CA 0.922 46.061 45.100 0.065 0.000 1.046 332 G HN 1.524 nan 8.290 nan 0.000 0.513 333 D N 0.081 120.523 120.400 0.070 0.000 2.500 333 D HA 0.340 4.981 4.640 0.001 0.000 0.219 333 D C 1.775 178.128 176.300 0.089 0.000 1.137 333 D CA 0.037 54.080 54.000 0.072 0.000 0.946 333 D CB 0.509 41.351 40.800 0.069 0.000 1.022 333 D HN 0.477 nan 8.370 nan 0.000 0.518 334 V N 0.989 120.965 119.914 0.103 0.000 3.305 334 V HA 0.013 4.133 4.120 0.001 0.000 0.269 334 V C 1.334 177.497 176.094 0.114 0.000 1.157 334 V CA 0.862 63.244 62.300 0.137 0.000 1.157 334 V CB -0.217 31.726 31.823 0.200 0.000 0.772 334 V HN 0.285 nan 8.190 nan 0.000 0.498 335 S N 0.496 116.253 115.700 0.095 0.000 2.582 335 S HA 0.671 5.142 4.470 0.001 0.000 0.234 335 S C 0.910 175.575 174.600 0.108 0.000 0.961 335 S CA 0.219 58.476 58.200 0.094 0.000 0.953 335 S CB -0.142 63.102 63.200 0.073 0.000 0.800 335 S HN 0.899 nan 8.310 nan 0.000 0.471 336 A N 0.092 122.979 122.820 0.112 0.000 2.322 336 A HA 0.492 4.813 4.320 0.001 0.000 0.269 336 A C 0.680 178.371 177.584 0.178 0.000 1.094 336 A CA -0.407 51.712 52.037 0.137 0.000 0.807 336 A CB 0.014 19.085 19.000 0.118 0.000 1.047 336 A HN 0.528 nan 8.150 nan 0.000 0.487 337 Y N 1.355 121.680 120.300 0.042 0.000 1.977 337 Y HA -0.313 4.238 4.550 0.001 0.000 0.264 337 Y C 1.864 177.743 175.900 -0.035 0.000 1.167 337 Y CA 2.257 60.365 58.100 0.013 0.000 1.102 337 Y CB -0.049 38.421 38.460 0.016 0.000 0.948 337 Y HN 0.581 nan 8.280 nan 0.000 0.489 338 I N 0.253 120.685 120.570 -0.230 0.000 2.179 338 I HA -0.200 3.971 4.170 0.001 0.000 0.242 338 I C -0.596 175.445 176.117 -0.126 0.000 1.088 338 I CA 1.362 62.472 61.300 -0.316 0.000 1.357 338 I CB -2.862 34.952 38.000 -0.311 0.000 1.051 338 I HN 0.240 nan 8.210 nan 0.000 0.409 339 P HA -0.130 nan 4.420 nan 0.000 0.216 339 P C 1.814 179.121 177.300 0.013 0.000 1.153 339 P CA 1.806 64.898 63.100 -0.013 0.000 0.858 339 P CB -0.228 31.493 31.700 0.035 0.000 0.789 340 T N -0.552 114.033 114.554 0.051 0.000 2.699 340 T HA -0.170 4.180 4.350 0.001 0.000 0.268 340 T C 1.590 176.346 174.700 0.093 0.000 1.036 340 T CA 1.685 63.843 62.100 0.096 0.000 1.147 340 T CB -0.936 68.028 68.868 0.159 0.000 0.862 340 T HN 0.140 nan 8.240 nan 0.000 0.446 341 N N 0.777 119.496 118.700 0.032 0.000 2.058 341 N HA -0.054 4.686 4.740 0.001 0.000 0.191 341 N C 1.976 177.447 175.510 -0.066 0.000 1.037 341 N CA 0.828 53.906 53.050 0.046 0.000 0.848 341 N CB -0.886 37.549 38.487 -0.086 0.000 1.021 341 N HN 0.207 nan 8.380 nan 0.000 0.422 342 V N 1.498 121.351 119.914 -0.102 0.000 2.453 342 V HA -0.085 4.035 4.120 0.001 0.000 0.247 342 V C 2.228 178.268 176.094 -0.091 0.000 1.048 342 V CA 0.839 63.051 62.300 -0.147 0.000 1.049 342 V CB -0.373 31.322 31.823 -0.212 0.000 0.672 342 V HN 0.207 nan 8.190 nan 0.000 0.457 343 I N -0.175 120.370 120.570 -0.042 0.000 2.163 343 I HA -0.279 3.892 4.170 0.001 0.000 0.243 343 I C 2.715 178.852 176.117 0.032 0.000 1.085 343 I CA 1.936 63.234 61.300 -0.003 0.000 1.347 343 I CB -0.431 37.605 38.000 0.061 0.000 1.044 343 I HN 0.278 nan 8.210 nan 0.000 0.408 344 S N 0.576 116.318 115.700 0.071 0.000 2.382 344 S HA -0.140 4.330 4.470 0.001 0.000 0.228 344 S C 1.989 176.642 174.600 0.088 0.000 1.027 344 S CA 1.361 59.634 58.200 0.122 0.000 0.991 344 S CB -0.271 63.074 63.200 0.242 0.000 0.823 344 S HN 0.283 nan 8.310 nan 0.000 0.469 345 I N 1.109 121.682 120.570 0.005 0.000 2.233 345 I HA -0.076 4.095 4.170 0.001 0.000 0.243 345 I C 1.547 177.642 176.117 -0.037 0.000 1.093 345 I CA 0.943 62.206 61.300 -0.062 0.000 1.380 345 I CB -0.668 37.192 38.000 -0.233 0.000 1.067 345 I HN 0.385 nan 8.210 nan 0.000 0.413 346 T N -1.718 112.807 114.554 -0.047 0.000 2.701 346 T HA -0.004 4.346 4.350 0.001 0.000 0.303 346 T C 0.602 175.296 174.700 -0.011 0.000 1.030 346 T CA -0.345 61.732 62.100 -0.039 0.000 1.010 346 T CB 0.550 69.381 68.868 -0.061 0.000 1.007 346 T HN 0.112 nan 8.240 nan 0.000 0.532 347 D N 0.047 120.441 120.400 -0.010 0.000 2.339 347 D HA 0.312 4.952 4.640 0.001 0.000 0.217 347 D C 0.933 177.237 176.300 0.007 0.000 1.050 347 D CA 0.433 54.435 54.000 0.003 0.000 0.856 347 D CB 0.266 41.068 40.800 0.003 0.000 0.922 347 D HN 0.880 nan 8.370 nan 0.000 0.518 348 G N 0.123 108.920 108.800 -0.005 0.000 2.338 348 G HA2 0.354 4.315 3.960 0.001 0.000 0.295 348 G HA3 0.354 4.315 3.960 0.001 0.000 0.295 348 G C -1.942 172.925 174.900 -0.055 0.000 1.461 348 G CA -0.792 44.309 45.100 0.002 0.000 0.817 348 G HN -0.087 nan 8.290 nan 0.000 0.556 349 Q N -0.641 119.115 119.800 -0.074 0.000 2.331 349 Q HA 0.654 4.994 4.340 0.001 0.000 0.272 349 Q C -0.601 175.245 176.000 -0.257 0.000 1.062 349 Q CA -0.454 55.162 55.803 -0.312 0.000 0.806 349 Q CB 2.808 31.108 28.738 -0.730 0.000 1.312 349 Q HN 0.561 nan 8.270 nan 0.000 0.431 350 I N 3.154 123.562 120.570 -0.269 0.000 2.307 350 I HA 0.327 4.497 4.170 0.001 0.000 0.287 350 I C -0.881 175.122 176.117 -0.191 0.000 1.054 350 I CA -0.379 60.850 61.300 -0.118 0.000 1.218 350 I CB 0.244 38.211 38.000 -0.055 0.000 1.398 350 I HN 0.457 nan 8.210 nan 0.000 0.475 351 F N 6.677 126.631 119.950 0.007 0.000 2.404 351 F HA 0.496 5.023 4.527 0.000 0.000 0.345 351 F C 0.171 175.976 175.800 0.009 0.000 1.110 351 F CA -0.429 57.575 58.000 0.007 0.000 1.130 351 F CB 0.839 39.844 39.000 0.008 0.000 1.129 351 F HN 0.160 nan 8.300 nan 0.000 0.500 352 L N 2.975 124.300 121.223 0.170 0.000 2.342 352 L HA 0.582 4.922 4.340 0.001 0.000 0.271 352 L C -0.582 176.346 176.870 0.097 0.000 1.008 352 L CA -0.805 54.099 54.840 0.108 0.000 0.818 352 L CB 2.175 44.267 42.059 0.055 0.000 1.296 352 L HN 0.593 nan 8.230 nan 0.000 0.427 353 E N 0.004 120.252 120.200 0.079 0.000 2.288 353 E HA 0.298 4.648 4.350 0.001 0.000 0.268 353 E C -0.200 176.427 176.600 0.044 0.000 0.885 353 E CA -0.533 55.904 56.400 0.061 0.000 0.767 353 E CB 2.439 32.176 29.700 0.062 0.000 1.220 353 E HN 0.540 nan 8.360 nan 0.000 0.427 354 T N 0.788 115.356 114.554 0.023 0.000 2.904 354 T HA -0.163 4.187 4.350 0.001 0.000 0.267 354 T C 1.593 176.348 174.700 0.092 0.000 1.059 354 T CA 1.481 63.577 62.100 -0.006 0.000 1.137 354 T CB -0.044 68.846 68.868 0.038 0.000 0.879 354 T HN 0.649 nan 8.240 nan 0.000 0.467 355 E N 1.686 121.958 120.200 0.119 0.000 2.072 355 E HA -0.052 4.299 4.350 0.001 0.000 0.190 355 E C 2.079 178.755 176.600 0.127 0.000 0.982 355 E CA 0.754 57.244 56.400 0.151 0.000 0.803 355 E CB -0.706 29.061 29.700 0.112 0.000 0.755 355 E HN 0.383 nan 8.360 nan 0.000 0.453 356 L N -0.028 121.249 121.223 0.090 0.000 2.012 356 L HA -0.126 4.215 4.340 0.001 0.000 0.210 356 L C 2.588 179.490 176.870 0.053 0.000 1.073 356 L CA 1.442 56.323 54.840 0.068 0.000 0.748 356 L CB -0.633 41.462 42.059 0.060 0.000 0.891 356 L HN 0.151 nan 8.230 nan 0.000 0.431 357 F N 0.312 120.185 119.950 -0.128 0.000 2.043 357 F HA -0.349 4.178 4.527 0.001 0.000 0.297 357 F C 2.309 177.973 175.800 -0.226 0.000 1.118 357 F CA 1.928 59.770 58.000 -0.262 0.000 1.202 357 F CB -0.459 38.240 39.000 -0.501 0.000 0.965 357 F HN -0.045 nan 8.300 nan 0.000 0.482 358 Y N -0.496 119.934 120.300 0.216 0.000 2.516 358 Y HA -0.015 4.535 4.550 0.001 0.000 0.291 358 Y C 2.012 177.929 175.900 0.028 0.000 1.131 358 Y CA 0.384 58.552 58.100 0.112 0.000 1.281 358 Y CB -0.340 38.218 38.460 0.164 0.000 1.013 358 Y HN -0.046 nan 8.280 nan 0.000 0.554 359 K N 0.089 120.571 120.400 0.136 0.000 2.574 359 K HA -0.036 4.284 4.320 0.001 0.000 0.193 359 K C 1.493 178.105 176.600 0.019 0.000 1.035 359 K CA 0.781 57.112 56.287 0.074 0.000 0.982 359 K CB -0.343 32.194 32.500 0.062 0.000 0.795 359 K HN 0.530 nan 8.250 nan 0.000 0.491 360 G N 1.294 110.072 108.800 -0.038 0.000 2.176 360 G HA2 -0.208 3.752 3.960 0.001 0.000 0.253 360 G HA3 -0.208 3.752 3.960 0.001 0.000 0.253 360 G C 0.152 174.985 174.900 -0.112 0.000 0.979 360 G CA -0.205 44.841 45.100 -0.091 0.000 0.641 360 G HN 0.190 nan 8.290 nan 0.000 0.530 361 I N 1.914 122.431 120.570 -0.088 0.000 2.357 361 I HA 0.323 4.494 4.170 0.001 0.000 0.300 361 I C 0.793 176.840 176.117 -0.117 0.000 1.159 361 I CA 0.379 61.640 61.300 -0.065 0.000 1.339 361 I CB -0.510 37.485 38.000 -0.008 0.000 1.458 361 I HN 0.163 nan 8.210 nan 0.000 0.577 362 R N 7.329 127.742 120.500 -0.145 0.000 2.513 362 R HA 0.470 4.811 4.340 0.001 0.000 0.301 362 R C -2.537 173.717 176.300 -0.076 0.000 0.968 362 R CA -1.663 54.345 56.100 -0.154 0.000 0.872 362 R CB 2.387 32.498 30.300 -0.316 0.000 1.177 362 R HN 0.279 nan 8.270 nan 0.000 0.444 363 P HA 0.034 nan 4.420 nan 0.000 0.271 363 P C -0.293 177.026 177.300 0.032 0.000 1.218 363 P CA -0.197 62.907 63.100 0.008 0.000 0.780 363 P CB 1.009 32.715 31.700 0.009 0.000 0.901 364 A N 3.864 126.740 122.820 0.093 0.000 2.426 364 A HA 0.133 4.454 4.320 0.001 0.000 0.247 364 A C 0.936 178.569 177.584 0.082 0.000 1.389 364 A CA -0.310 51.787 52.037 0.101 0.000 1.129 364 A CB -1.504 17.611 19.000 0.192 0.000 0.928 364 A HN 0.487 nan 8.150 nan 0.000 0.557 365 I N 1.183 121.793 120.570 0.066 0.000 2.587 365 I HA -0.041 4.130 4.170 0.001 0.000 0.284 365 I C 0.541 176.705 176.117 0.078 0.000 1.134 365 I CA -0.253 61.093 61.300 0.077 0.000 1.410 365 I CB 0.194 38.232 38.000 0.062 0.000 1.392 365 I HN 0.272 nan 8.210 nan 0.000 0.545 366 N N 6.700 125.461 118.700 0.100 0.000 2.399 366 N HA 0.033 4.774 4.740 0.001 0.000 0.259 366 N C 0.559 176.110 175.510 0.069 0.000 1.160 366 N CA 0.166 53.257 53.050 0.068 0.000 0.946 366 N CB 1.401 39.911 38.487 0.039 0.000 1.156 366 N HN 0.447 nan 8.380 nan 0.000 0.489 367 V N 3.555 123.499 119.914 0.050 0.000 2.667 367 V HA -0.031 4.089 4.120 0.001 0.000 0.252 367 V C 1.975 178.090 176.094 0.034 0.000 1.065 367 V CA 2.011 64.341 62.300 0.050 0.000 1.083 367 V CB -0.474 31.377 31.823 0.048 0.000 0.692 367 V HN 0.806 nan 8.190 nan 0.000 0.468 368 G N -1.064 107.740 108.800 0.007 0.000 2.430 368 G HA2 -0.092 3.868 3.960 0.001 0.000 0.216 368 G HA3 -0.092 3.868 3.960 0.001 0.000 0.216 368 G C 1.487 176.366 174.900 -0.034 0.000 1.146 368 G CA 0.445 45.535 45.100 -0.016 0.000 0.793 368 G HN 0.448 nan 8.290 nan 0.000 0.537 369 L N 0.610 121.794 121.223 -0.065 0.000 2.253 369 L HA 0.155 4.496 4.340 0.001 0.000 0.205 369 L C 1.156 178.031 176.870 0.008 0.000 1.078 369 L CA -0.010 54.724 54.840 -0.177 0.000 0.805 369 L CB -0.200 41.574 42.059 -0.474 0.000 0.963 369 L HN 0.049 nan 8.230 nan 0.000 0.459 370 S N -0.098 115.729 115.700 0.212 0.000 2.568 370 S HA 0.236 4.706 4.470 0.001 0.000 0.282 370 S C -0.172 174.552 174.600 0.207 0.000 1.338 370 S CA -0.070 58.352 58.200 0.370 0.000 1.045 370 S CB 1.922 65.264 63.200 0.236 0.000 0.873 370 S HN 0.059 nan 8.310 nan 0.000 0.516 371 V N 1.388 121.417 119.914 0.191 0.000 3.188 371 V HA 0.805 4.926 4.120 0.001 0.000 0.305 371 V C -1.189 174.946 176.094 0.067 0.000 1.232 371 V CA -0.517 61.849 62.300 0.111 0.000 1.043 371 V CB 2.673 34.561 31.823 0.110 0.000 1.068 371 V HN 0.808 nan 8.190 nan 0.000 0.439 372 S N 2.696 118.424 115.700 0.046 0.000 2.737 372 S HA 0.476 4.946 4.470 0.001 0.000 0.269 372 S C 0.410 175.025 174.600 0.026 0.000 1.150 372 S CA -0.609 57.607 58.200 0.027 0.000 1.077 372 S CB 1.250 64.461 63.200 0.019 0.000 1.075 372 S HN 0.737 nan 8.310 nan 0.000 0.476 373 R N 2.740 123.255 120.500 0.025 0.000 2.235 373 R HA 0.012 4.352 4.340 0.001 0.000 0.213 373 R C 1.657 177.967 176.300 0.015 0.000 1.059 373 R CA 0.973 57.087 56.100 0.023 0.000 0.997 373 R CB -0.255 30.059 30.300 0.025 0.000 0.884 373 R HN 0.528 nan 8.270 nan 0.000 0.462 374 V N 0.567 120.487 119.914 0.011 0.000 2.358 374 V HA -0.113 4.008 4.120 0.001 0.000 0.246 374 V C 1.676 177.773 176.094 0.006 0.000 1.047 374 V CA 1.783 64.086 62.300 0.006 0.000 1.035 374 V CB -0.941 30.882 31.823 0.001 0.000 0.658 374 V HN 0.701 nan 8.190 nan 0.000 0.452 375 G N -0.009 108.796 108.800 0.008 0.000 2.566 375 G HA2 -0.369 3.592 3.960 0.001 0.000 0.280 375 G HA3 -0.369 3.592 3.960 0.001 0.000 0.280 375 G C 0.957 175.860 174.900 0.005 0.000 1.225 375 G CA 0.434 45.539 45.100 0.010 0.000 0.966 375 G HN 0.374 nan 8.290 nan 0.000 0.560 376 S N 0.556 116.260 115.700 0.006 0.000 2.423 376 S HA -0.094 4.376 4.470 0.001 0.000 0.238 376 S C 2.777 177.376 174.600 -0.001 0.000 1.028 376 S CA 2.314 60.516 58.200 0.004 0.000 1.000 376 S CB -0.690 62.513 63.200 0.005 0.000 0.797 376 S HN 1.768 nan 8.310 nan 0.000 0.487 377 A N 0.623 123.442 122.820 -0.002 0.000 2.084 377 A HA 0.121 4.441 4.320 0.001 0.000 0.221 377 A C 1.779 179.354 177.584 -0.013 0.000 1.161 377 A CA 1.570 53.604 52.037 -0.006 0.000 0.653 377 A CB -0.455 18.543 19.000 -0.003 0.000 0.802 377 A HN 0.555 nan 8.150 nan 0.000 0.457 378 A N -1.194 121.617 122.820 -0.015 0.000 2.594 378 A HA 0.436 4.756 4.320 0.001 0.000 0.287 378 A C 0.347 177.915 177.584 -0.027 0.000 1.227 378 A CA -0.377 51.644 52.037 -0.026 0.000 0.952 378 A CB 0.122 19.107 19.000 -0.026 0.000 1.161 378 A HN 0.533 nan 8.150 nan 0.000 0.524 379 Q N 0.751 120.541 119.800 -0.018 0.000 2.306 379 Q HA 0.447 4.788 4.340 0.001 0.000 0.265 379 Q C -0.273 175.717 176.000 -0.017 0.000 1.022 379 Q CA -0.631 55.164 55.803 -0.014 0.000 0.853 379 Q CB 1.842 30.579 28.738 -0.002 0.000 1.327 379 Q HN 0.487 nan 8.270 nan 0.000 0.449 380 T N -1.238 113.307 114.554 -0.016 0.000 2.898 380 T HA 0.184 4.535 4.350 0.001 0.000 0.301 380 T C 0.991 175.689 174.700 -0.003 0.000 1.049 380 T CA -0.498 61.594 62.100 -0.014 0.000 1.095 380 T CB 0.952 69.812 68.868 -0.013 0.000 0.976 380 T HN 0.555 nan 8.240 nan 0.000 0.539 381 R N 0.994 121.493 120.500 -0.002 0.000 2.127 381 R HA -0.099 4.242 4.340 0.001 0.000 0.238 381 R C 2.717 179.024 176.300 0.012 0.000 1.134 381 R CA 1.250 57.353 56.100 0.004 0.000 0.975 381 R CB -0.882 29.420 30.300 0.003 0.000 0.865 381 R HN 0.842 nan 8.270 nan 0.000 0.447 382 A N 1.307 124.133 122.820 0.011 0.000 1.841 382 A HA -0.263 4.057 4.320 0.001 0.000 0.216 382 A C 2.134 179.736 177.584 0.029 0.000 1.199 382 A CA 1.794 53.843 52.037 0.019 0.000 0.621 382 A CB -0.510 18.497 19.000 0.013 0.000 0.835 382 A HN 0.239 nan 8.150 nan 0.000 0.445 383 M N -0.165 119.449 119.600 0.024 0.000 2.086 383 M HA -0.086 4.394 4.480 0.001 0.000 0.261 383 M C 1.945 178.261 176.300 0.027 0.000 1.067 383 M CA 2.231 57.548 55.300 0.028 0.000 1.116 383 M CB -0.635 31.979 32.600 0.023 0.000 1.348 383 M HN 0.429 nan 8.290 nan 0.000 0.407 384 K N -0.508 119.903 120.400 0.019 0.000 2.144 384 K HA -0.310 4.011 4.320 0.001 0.000 0.209 384 K C 2.156 178.768 176.600 0.021 0.000 1.047 384 K CA 2.267 58.564 56.287 0.016 0.000 0.927 384 K CB -0.250 32.257 32.500 0.011 0.000 0.716 384 K HN 0.666 nan 8.250 nan 0.000 0.454 385 Q N 0.175 119.991 119.800 0.027 0.000 1.941 385 Q HA -0.149 4.192 4.340 0.001 0.000 0.201 385 Q C 2.034 178.056 176.000 0.036 0.000 0.982 385 Q CA 2.338 58.161 55.803 0.032 0.000 0.839 385 Q CB -0.018 28.745 28.738 0.043 0.000 0.904 385 Q HN 0.301 nan 8.270 nan 0.000 0.427 386 V N -1.113 118.831 119.914 0.050 0.000 2.515 386 V HA -0.099 4.021 4.120 0.001 0.000 0.250 386 V C 2.238 178.350 176.094 0.030 0.000 1.058 386 V CA 1.551 63.880 62.300 0.050 0.000 1.064 386 V CB -1.615 30.259 31.823 0.085 0.000 0.675 386 V HN 0.450 nan 8.190 nan 0.000 0.461 387 A N 1.820 124.658 122.820 0.030 0.000 1.873 387 A HA -0.059 4.262 4.320 0.001 0.000 0.218 387 A C 2.467 180.061 177.584 0.016 0.000 1.193 387 A CA 2.413 54.464 52.037 0.022 0.000 0.629 387 A CB -1.660 17.353 19.000 0.022 0.000 0.826 387 A HN 0.702 nan 8.150 nan 0.000 0.447 388 G N -1.292 107.517 108.800 0.015 0.000 2.442 388 G HA2 -0.190 3.771 3.960 0.001 0.000 0.219 388 G HA3 -0.190 3.771 3.960 0.001 0.000 0.219 388 G C 1.570 176.474 174.900 0.006 0.000 1.141 388 G CA 1.798 46.905 45.100 0.011 0.000 0.763 388 G HN 0.469 nan 8.290 nan 0.000 0.554 389 T N 0.876 115.431 114.554 0.002 0.000 2.668 389 T HA -0.117 4.233 4.350 0.001 0.000 0.262 389 T C 2.288 176.981 174.700 -0.011 0.000 1.045 389 T CA 1.287 63.382 62.100 -0.009 0.000 1.152 389 T CB -0.308 68.549 68.868 -0.019 0.000 0.864 389 T HN 0.174 nan 8.240 nan 0.000 0.419 390 M N 0.936 120.530 119.600 -0.009 0.000 2.103 390 M HA -0.253 4.228 4.480 0.001 0.000 0.255 390 M C 2.398 178.700 176.300 0.003 0.000 1.074 390 M CA 1.906 57.200 55.300 -0.010 0.000 1.090 390 M CB -0.258 32.341 32.600 -0.002 0.000 1.325 390 M HN 0.152 nan 8.290 nan 0.000 0.403 391 K N 0.008 120.414 120.400 0.010 0.000 2.032 391 K HA -0.236 4.084 4.320 0.001 0.000 0.209 391 K C 1.894 178.504 176.600 0.016 0.000 1.048 391 K CA 1.746 58.043 56.287 0.016 0.000 0.927 391 K CB -0.338 32.172 32.500 0.016 0.000 0.712 391 K HN 0.365 nan 8.250 nan 0.000 0.441 392 L N 1.399 122.628 121.223 0.010 0.000 2.056 392 L HA -0.130 4.211 4.340 0.001 0.000 0.207 392 L C 1.784 178.661 176.870 0.012 0.000 1.078 392 L CA 1.792 56.637 54.840 0.008 0.000 0.749 392 L CB -0.253 41.807 42.059 0.002 0.000 0.901 392 L HN 0.207 nan 8.230 nan 0.000 0.433 393 E N -0.404 119.799 120.200 0.005 0.000 2.107 393 E HA -0.155 4.196 4.350 0.001 0.000 0.191 393 E C 2.279 178.901 176.600 0.036 0.000 0.982 393 E CA 1.214 57.616 56.400 0.002 0.000 0.809 393 E CB -0.210 29.472 29.700 -0.031 0.000 0.756 393 E HN 0.515 nan 8.360 nan 0.000 0.459 394 L N 0.440 121.691 121.223 0.047 0.000 2.275 394 L HA -0.133 4.207 4.340 0.001 0.000 0.215 394 L C 2.365 179.318 176.870 0.139 0.000 1.119 394 L CA 0.656 55.572 54.840 0.126 0.000 0.790 394 L CB -0.201 41.915 42.059 0.096 0.000 0.919 394 L HN 0.149 nan 8.230 nan 0.000 0.443 395 A N -0.698 122.162 122.820 0.066 0.000 1.930 395 A HA -0.159 4.161 4.320 0.001 0.000 0.215 395 A C 2.161 179.754 177.584 0.014 0.000 1.176 395 A CA 0.785 52.837 52.037 0.027 0.000 0.632 395 A CB -0.231 18.777 19.000 0.013 0.000 0.819 395 A HN 0.418 nan 8.150 nan 0.000 0.445 396 Q N -1.716 118.104 119.800 0.034 0.000 2.170 396 Q HA -0.197 4.144 4.340 0.001 0.000 0.203 396 Q C 1.940 177.970 176.000 0.049 0.000 0.976 396 Q CA 1.643 57.463 55.803 0.028 0.000 0.858 396 Q CB -0.372 28.385 28.738 0.032 0.000 0.907 396 Q HN 0.808 nan 8.270 nan 0.000 0.433 397 Y N 1.633 121.896 120.300 -0.062 0.000 2.114 397 Y HA -0.178 4.372 4.550 0.001 0.000 0.284 397 Y C 2.096 177.931 175.900 -0.108 0.000 1.143 397 Y CA 1.524 59.577 58.100 -0.078 0.000 1.135 397 Y CB -0.176 38.248 38.460 -0.060 0.000 0.980 397 Y HN -0.134 nan 8.280 nan 0.000 0.499 398 R N 0.327 120.692 120.500 -0.226 0.000 2.127 398 R HA -0.178 4.162 4.340 0.001 0.000 0.238 398 R C 2.134 178.266 176.300 -0.279 0.000 1.134 398 R CA 1.680 57.586 56.100 -0.324 0.000 0.975 398 R CB -0.239 29.962 30.300 -0.166 0.000 0.865 398 R HN 0.548 nan 8.270 nan 0.000 0.447 399 E N -0.496 119.589 120.200 -0.192 0.000 2.209 399 E HA -0.160 4.190 4.350 0.001 0.000 0.196 399 E C 1.500 177.883 176.600 -0.362 0.000 0.993 399 E CA 1.264 57.554 56.400 -0.184 0.000 0.819 399 E CB 0.246 29.896 29.700 -0.084 0.000 0.745 399 E HN 0.169 nan 8.360 nan 0.000 0.477 400 V N -0.104 119.541 119.914 -0.447 0.000 3.307 400 V HA 0.117 4.238 4.120 0.001 0.000 0.244 400 V C 1.880 177.503 176.094 -0.784 0.000 1.196 400 V CA 0.761 62.623 62.300 -0.730 0.000 1.132 400 V CB 0.369 32.031 31.823 -0.268 0.000 0.875 400 V HN 0.189 nan 8.190 nan 0.000 0.468 401 A N 0.686 123.138 122.820 -0.614 0.000 2.255 401 A HA -0.146 4.174 4.320 0.001 0.000 0.218 401 A C 2.148 179.553 177.584 -0.297 0.000 1.175 401 A CA 1.981 53.694 52.037 -0.540 0.000 0.682 401 A CB -0.426 18.027 19.000 -0.910 0.000 0.784 401 A HN 0.608 nan 8.150 nan 0.000 0.482 402 A N -0.975 121.627 122.820 -0.363 0.000 2.030 402 A HA 0.256 4.577 4.320 0.001 0.000 0.215 402 A C 1.490 179.193 177.584 0.198 0.000 1.164 402 A CA 0.544 52.529 52.037 -0.087 0.000 0.697 402 A CB -0.425 18.534 19.000 -0.068 0.000 0.827 402 A HN 0.588 nan 8.150 nan 0.000 0.457 403 F N -0.235 119.749 119.950 0.056 0.000 2.725 403 F HA 0.267 4.794 4.527 0.001 0.000 0.303 403 F C 2.155 178.023 175.800 0.113 0.000 1.167 403 F CA -0.196 57.860 58.000 0.094 0.000 1.403 403 F CB -0.141 38.893 39.000 0.056 0.000 1.077 403 F HN 0.279 nan 8.300 nan 0.000 0.537 404 A N 0.882 123.830 122.820 0.214 0.000 1.832 404 A HA -0.151 4.170 4.320 0.001 0.000 0.214 404 A C 2.087 179.736 177.584 0.109 0.000 1.204 404 A CA 1.027 53.151 52.037 0.144 0.000 0.606 404 A CB -0.481 18.581 19.000 0.103 0.000 0.849 404 A HN 0.400 nan 8.150 nan 0.000 0.445 405 Q N -1.971 117.880 119.800 0.084 0.000 2.403 405 Q HA 0.168 4.509 4.340 0.001 0.000 0.203 405 Q C -0.290 175.474 176.000 -0.393 0.000 0.932 405 Q CA 0.284 55.999 55.803 -0.147 0.000 0.945 405 Q CB 0.170 28.773 28.738 -0.224 0.000 1.045 405 Q HN 0.703 nan 8.270 nan 0.000 0.511 406 F N -0.601 119.392 119.950 0.072 0.000 2.791 406 F HA 0.331 4.859 4.527 0.001 0.000 0.316 406 F C 0.677 176.513 175.800 0.060 0.000 1.134 406 F CA -0.619 57.417 58.000 0.059 0.000 1.222 406 F CB 1.387 40.423 39.000 0.060 0.000 1.034 406 F HN -0.159 nan 8.300 nan 0.000 0.516 407 G N -0.315 108.591 108.800 0.177 0.000 2.671 407 G HA2 0.407 4.367 3.960 0.001 0.000 0.318 407 G HA3 0.407 4.367 3.960 0.001 0.000 0.318 407 G C 0.220 175.166 174.900 0.077 0.000 1.250 407 G CA -0.172 45.011 45.100 0.140 0.000 1.028 407 G HN 0.157 nan 8.290 nan 0.000 0.501 408 S N 1.235 116.970 115.700 0.057 0.000 2.499 408 S HA 0.077 4.548 4.470 0.001 0.000 0.225 408 S C 0.732 175.349 174.600 0.027 0.000 1.050 408 S CA 0.169 58.388 58.200 0.033 0.000 0.928 408 S CB 0.453 63.668 63.200 0.025 0.000 0.803 408 S HN 0.549 nan 8.310 nan 0.000 0.506 409 D N 2.279 122.695 120.400 0.027 0.000 3.123 409 D HA 0.304 4.944 4.640 0.001 0.000 0.305 409 D C -1.046 175.264 176.300 0.017 0.000 1.373 409 D CA -0.078 53.932 54.000 0.016 0.000 0.889 409 D CB 0.421 41.225 40.800 0.006 0.000 1.070 409 D HN 0.205 nan 8.370 nan 0.000 0.494 410 L N 0.934 122.177 121.223 0.033 0.000 2.357 410 L HA 0.260 4.600 4.340 0.001 0.000 0.273 410 L C 0.883 177.773 176.870 0.034 0.000 1.080 410 L CA -0.945 53.922 54.840 0.044 0.000 0.803 410 L CB 0.572 42.680 42.059 0.081 0.000 1.174 410 L HN -0.033 nan 8.230 nan 0.000 0.443 411 D N 1.229 121.649 120.400 0.034 0.000 2.362 411 D HA 0.108 4.748 4.640 0.001 0.000 0.242 411 D C 0.960 177.276 176.300 0.027 0.000 1.132 411 D CA 0.062 54.077 54.000 0.025 0.000 0.907 411 D CB 1.346 42.159 40.800 0.022 0.000 1.195 411 D HN 0.642 nan 8.370 nan 0.000 0.429 412 A N 1.874 124.704 122.820 0.016 0.000 1.986 412 A HA -0.127 4.194 4.320 0.001 0.000 0.220 412 A C 2.197 179.787 177.584 0.011 0.000 1.171 412 A CA 2.483 54.526 52.037 0.009 0.000 0.640 412 A CB -0.910 18.090 19.000 0.000 0.000 0.811 412 A HN 0.749 nan 8.150 nan 0.000 0.451 413 A N -0.384 122.445 122.820 0.016 0.000 1.855 413 A HA -0.089 4.231 4.320 0.001 0.000 0.215 413 A C 2.418 180.021 177.584 0.032 0.000 1.191 413 A CA 2.474 54.521 52.037 0.017 0.000 0.613 413 A CB -1.370 17.641 19.000 0.019 0.000 0.829 413 A HN 0.770 nan 8.150 nan 0.000 0.442 414 T N -2.439 112.148 114.554 0.055 0.000 2.995 414 T HA -0.074 4.277 4.350 0.001 0.000 0.269 414 T C 1.776 176.525 174.700 0.082 0.000 1.091 414 T CA 1.285 63.437 62.100 0.087 0.000 1.128 414 T CB -0.249 68.704 68.868 0.142 0.000 0.891 414 T HN 0.555 nan 8.240 nan 0.000 0.492 415 Q N 0.318 120.152 119.800 0.058 0.000 2.230 415 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 415 Q C 2.393 178.403 176.000 0.017 0.000 0.963 415 Q CA 1.217 57.045 55.803 0.043 0.000 0.866 415 Q CB -0.109 28.646 28.738 0.028 0.000 0.931 415 Q HN 0.517 nan 8.270 nan 0.000 0.452 416 Q N 0.550 120.353 119.800 0.006 0.000 2.212 416 Q HA -0.028 4.312 4.340 0.001 0.000 0.199 416 Q C 1.694 177.677 176.000 -0.028 0.000 0.950 416 Q CA 0.904 56.694 55.803 -0.022 0.000 0.863 416 Q CB 0.034 28.755 28.738 -0.029 0.000 0.944 416 Q HN 0.348 nan 8.270 nan 0.000 0.465 417 L N -0.295 120.932 121.223 0.007 0.000 2.046 417 L HA -0.156 4.184 4.340 0.001 0.000 0.208 417 L C 2.230 179.122 176.870 0.038 0.000 1.077 417 L CA 0.946 55.801 54.840 0.026 0.000 0.747 417 L CB -0.476 41.622 42.059 0.065 0.000 0.896 417 L HN 0.262 nan 8.230 nan 0.000 0.432 418 L N -1.145 120.123 121.223 0.074 0.000 2.005 418 L HA -0.189 4.151 4.340 0.001 0.000 0.207 418 L C 2.779 179.581 176.870 -0.112 0.000 1.072 418 L CA 1.184 56.080 54.840 0.093 0.000 0.744 418 L CB -0.542 41.593 42.059 0.128 0.000 0.895 418 L HN 0.181 nan 8.230 nan 0.000 0.433 419 S N -0.396 115.255 115.700 -0.081 0.000 2.359 419 S HA -0.267 4.203 4.470 0.001 0.000 0.223 419 S C 2.052 176.541 174.600 -0.185 0.000 1.039 419 S CA 1.653 59.785 58.200 -0.113 0.000 1.042 419 S CB -0.304 62.847 63.200 -0.080 0.000 0.915 419 S HN 0.247 nan 8.310 nan 0.000 0.439 420 R N 1.318 121.708 120.500 -0.183 0.000 2.083 420 R HA -0.039 4.302 4.340 0.001 0.000 0.237 420 R C 2.346 178.446 176.300 -0.333 0.000 1.137 420 R CA 1.930 57.905 56.100 -0.208 0.000 0.951 420 R CB -1.366 28.842 30.300 -0.154 0.000 0.851 420 R HN 0.394 nan 8.270 nan 0.000 0.434 421 G N -0.111 108.369 108.800 -0.534 0.000 2.491 421 G HA2 -0.273 3.687 3.960 0.001 0.000 0.218 421 G HA3 -0.273 3.687 3.960 0.001 0.000 0.218 421 G C 1.463 175.708 174.900 -1.092 0.000 1.180 421 G CA 1.646 46.013 45.100 -1.222 0.000 0.774 421 G HN 0.389 nan 8.290 nan 0.000 0.562 422 V N -1.041 118.429 119.914 -0.740 0.000 2.490 422 V HA -0.001 4.120 4.120 0.001 0.000 0.250 422 V C 2.584 178.545 176.094 -0.221 0.000 1.061 422 V CA 2.195 64.292 62.300 -0.338 0.000 1.064 422 V CB -0.547 31.188 31.823 -0.147 0.000 0.670 422 V HN 0.301 nan 8.190 nan 0.000 0.461 423 R N -0.095 120.267 120.500 -0.230 0.000 2.080 423 R HA 0.308 4.648 4.340 0.001 0.000 0.222 423 R C 2.377 178.587 176.300 -0.149 0.000 1.107 423 R CA 1.334 57.333 56.100 -0.169 0.000 0.980 423 R CB -0.433 29.763 30.300 -0.174 0.000 0.879 423 R HN 0.446 nan 8.270 nan 0.000 0.439 424 L N 0.086 121.206 121.223 -0.172 0.000 2.083 424 L HA -0.183 4.158 4.340 0.001 0.000 0.209 424 L C 2.095 178.916 176.870 -0.082 0.000 1.083 424 L CA 1.353 56.123 54.840 -0.117 0.000 0.752 424 L CB -0.676 41.313 42.059 -0.116 0.000 0.899 424 L HN 0.272 nan 8.230 nan 0.000 0.433 425 T N -0.812 113.680 114.554 -0.104 0.000 2.684 425 T HA -0.181 4.170 4.350 0.001 0.000 0.267 425 T C 1.762 176.447 174.700 -0.025 0.000 1.036 425 T CA 1.295 63.373 62.100 -0.037 0.000 1.148 425 T CB -0.143 68.720 68.868 -0.008 0.000 0.863 425 T HN 0.321 nan 8.240 nan 0.000 0.436 426 E N 1.026 121.201 120.200 -0.042 0.000 2.150 426 E HA 0.016 4.366 4.350 0.001 0.000 0.193 426 E C 2.231 178.826 176.600 -0.009 0.000 0.985 426 E CA 0.618 57.004 56.400 -0.023 0.000 0.814 426 E CB -0.344 29.338 29.700 -0.030 0.000 0.752 426 E HN 0.489 nan 8.360 nan 0.000 0.466 427 L N 0.357 121.569 121.223 -0.017 0.000 2.376 427 L HA -0.063 4.278 4.340 0.001 0.000 0.219 427 L C 2.295 179.173 176.870 0.013 0.000 1.133 427 L CA 0.377 55.220 54.840 0.006 0.000 0.816 427 L CB -0.206 41.851 42.059 -0.003 0.000 0.933 427 L HN 0.078 nan 8.230 nan 0.000 0.449 428 L N -0.660 120.565 121.223 0.004 0.000 2.341 428 L HA -0.018 4.322 4.340 0.001 0.000 0.214 428 L C 0.989 177.862 176.870 0.004 0.000 1.115 428 L CA 0.276 55.121 54.840 0.009 0.000 0.820 428 L CB -0.169 41.897 42.059 0.012 0.000 0.944 428 L HN 0.136 nan 8.230 nan 0.000 0.452 429 K N 1.168 121.567 120.400 -0.002 0.000 2.414 429 K HA 0.094 4.415 4.320 0.001 0.000 0.272 429 K C -0.088 176.507 176.600 -0.009 0.000 0.993 429 K CA 0.508 56.787 56.287 -0.013 0.000 0.964 429 K CB 0.492 32.982 32.500 -0.017 0.000 0.925 429 K HN 0.002 nan 8.250 nan 0.000 0.487 430 Q N 0.353 120.139 119.800 -0.024 0.000 2.386 430 Q HA 0.307 4.647 4.340 0.001 0.000 0.274 430 Q C -0.921 175.052 176.000 -0.045 0.000 1.011 430 Q CA -0.628 55.161 55.803 -0.023 0.000 0.867 430 Q CB 1.774 30.500 28.738 -0.020 0.000 1.409 430 Q HN 0.775 nan 8.270 nan 0.000 0.395 431 G N 1.930 110.709 108.800 -0.035 0.000 2.544 431 G HA2 0.126 4.086 3.960 0.001 0.000 0.242 431 G HA3 0.126 4.086 3.960 0.001 0.000 0.242 431 G C -0.574 174.270 174.900 -0.095 0.000 1.247 431 G CA -0.152 44.919 45.100 -0.049 0.000 0.840 431 G HN 0.609 nan 8.290 nan 0.000 0.578 432 Q N -0.620 119.079 119.800 -0.169 0.000 2.312 432 Q HA 0.261 4.601 4.340 0.001 0.000 0.236 432 Q C -0.188 175.642 176.000 -0.284 0.000 0.965 432 Q CA -0.431 55.135 55.803 -0.394 0.000 0.894 432 Q CB 0.442 28.735 28.738 -0.741 0.000 1.225 432 Q HN 0.683 nan 8.270 nan 0.000 0.478 433 Y N -1.061 119.235 120.300 -0.006 0.000 4.604 433 Y HA -0.293 4.257 4.550 0.001 0.000 0.230 433 Y C -0.124 175.766 175.900 -0.018 0.000 1.066 433 Y CA 0.501 58.592 58.100 -0.015 0.000 1.990 433 Y CB -2.113 36.337 38.460 -0.015 0.000 1.619 433 Y HN 0.466 nan 8.280 nan 0.000 0.649 434 S N -0.796 114.939 115.700 0.058 0.000 2.216 434 S HA 0.490 4.960 4.470 0.001 0.000 0.156 434 S C -2.405 172.195 174.600 -0.001 0.000 1.665 434 S CA -1.164 57.053 58.200 0.029 0.000 1.262 434 S CB 1.826 65.041 63.200 0.025 0.000 1.207 434 S HN 0.062 nan 8.310 nan 0.000 0.427 435 P HA 0.404 nan 4.420 nan 0.000 0.277 435 P C -0.630 176.651 177.300 -0.032 0.000 1.240 435 P CA -0.477 62.613 63.100 -0.017 0.000 0.798 435 P CB 0.702 32.392 31.700 -0.017 0.000 0.979 436 M N 0.969 120.553 119.600 -0.027 0.000 2.508 436 M HA 0.530 5.010 4.480 0.001 0.000 0.327 436 M C 0.381 176.658 176.300 -0.039 0.000 1.160 436 M CA -0.938 54.343 55.300 -0.031 0.000 0.980 436 M CB 2.139 34.732 32.600 -0.011 0.000 1.693 436 M HN 0.339 nan 8.290 nan 0.000 0.452 437 A N 1.483 124.270 122.820 -0.055 0.000 2.386 437 A HA 0.213 4.534 4.320 0.001 0.000 0.248 437 A C 0.906 178.488 177.584 -0.003 0.000 1.082 437 A CA -0.350 51.658 52.037 -0.048 0.000 0.789 437 A CB 0.153 19.111 19.000 -0.070 0.000 1.025 437 A HN 0.919 nan 8.150 nan 0.000 0.490 438 I N 0.858 121.448 120.570 0.034 0.000 2.179 438 I HA -0.211 3.959 4.170 0.001 0.000 0.242 438 I C 2.563 178.693 176.117 0.023 0.000 1.088 438 I CA 2.361 63.685 61.300 0.040 0.000 1.357 438 I CB -0.437 37.599 38.000 0.061 0.000 1.051 438 I HN 0.850 nan 8.210 nan 0.000 0.409 439 E N 0.632 120.838 120.200 0.011 0.000 2.118 439 E HA -0.296 4.054 4.350 0.001 0.000 0.195 439 E C 1.798 178.393 176.600 -0.009 0.000 0.992 439 E CA 1.885 58.283 56.400 -0.004 0.000 0.804 439 E CB -0.964 28.724 29.700 -0.020 0.000 0.741 439 E HN 0.661 nan 8.360 nan 0.000 0.458 440 E N 1.050 121.240 120.200 -0.017 0.000 2.085 440 E HA -0.205 4.145 4.350 0.001 0.000 0.194 440 E C 2.376 178.992 176.600 0.026 0.000 0.994 440 E CA 1.479 57.868 56.400 -0.018 0.000 0.801 440 E CB -0.180 29.497 29.700 -0.038 0.000 0.743 440 E HN 0.460 nan 8.360 nan 0.000 0.453 441 Q N 0.466 120.283 119.800 0.029 0.000 2.061 441 Q HA -0.161 4.179 4.340 0.001 0.000 0.204 441 Q C 2.661 178.703 176.000 0.070 0.000 0.984 441 Q CA 1.970 57.802 55.803 0.048 0.000 0.846 441 Q CB -0.509 28.252 28.738 0.037 0.000 0.902 441 Q HN 0.358 nan 8.270 nan 0.000 0.421 442 V N -1.287 118.664 119.914 0.062 0.000 2.515 442 V HA -0.076 4.044 4.120 0.001 0.000 0.250 442 V C 2.112 178.281 176.094 0.126 0.000 1.058 442 V CA 1.677 64.027 62.300 0.083 0.000 1.064 442 V CB -0.829 31.030 31.823 0.059 0.000 0.675 442 V HN 0.289 nan 8.190 nan 0.000 0.461 443 A N 0.110 122.991 122.820 0.102 0.000 1.930 443 A HA -0.022 4.299 4.320 0.001 0.000 0.217 443 A C 2.330 180.087 177.584 0.287 0.000 1.175 443 A CA 2.063 54.190 52.037 0.150 0.000 0.627 443 A CB -0.682 18.378 19.000 0.100 0.000 0.815 443 A HN 0.501 nan 8.150 nan 0.000 0.443 444 V N -0.033 120.027 119.914 0.243 0.000 2.535 444 V HA -0.143 3.978 4.120 0.001 0.000 0.246 444 V C 2.336 178.509 176.094 0.133 0.000 1.045 444 V CA 1.498 63.928 62.300 0.217 0.000 1.058 444 V CB -0.519 31.422 31.823 0.197 0.000 0.689 444 V HN 0.552 nan 8.190 nan 0.000 0.461 445 I N -0.678 119.964 120.570 0.121 0.000 2.286 445 I HA -0.294 3.876 4.170 0.001 0.000 0.248 445 I C 2.407 178.582 176.117 0.096 0.000 1.115 445 I CA 1.962 63.311 61.300 0.082 0.000 1.392 445 I CB -0.488 37.554 38.000 0.071 0.000 1.065 445 I HN 0.360 nan 8.210 nan 0.000 0.418 446 Y N 1.942 122.258 120.300 0.026 0.000 2.151 446 Y HA -0.382 4.169 4.550 0.001 0.000 0.284 446 Y C 2.567 178.489 175.900 0.037 0.000 1.166 446 Y CA 1.666 59.786 58.100 0.034 0.000 1.163 446 Y CB -0.325 38.159 38.460 0.040 0.000 0.974 446 Y HN 0.148 nan 8.280 nan 0.000 0.511 447 A N 0.100 122.998 122.820 0.130 0.000 1.892 447 A HA -0.215 4.105 4.320 0.001 0.000 0.218 447 A C 2.454 180.010 177.584 -0.048 0.000 1.188 447 A CA 2.176 54.209 52.037 -0.007 0.000 0.631 447 A CB -1.736 17.180 19.000 -0.140 0.000 0.822 447 A HN 0.625 nan 8.150 nan 0.000 0.447 448 G N -0.652 108.101 108.800 -0.079 0.000 2.404 448 G HA2 -0.017 3.943 3.960 0.001 0.000 0.213 448 G HA3 -0.017 3.943 3.960 0.001 0.000 0.213 448 G C 1.576 176.396 174.900 -0.134 0.000 1.189 448 G CA 1.602 46.633 45.100 -0.115 0.000 0.796 448 G HN 1.005 nan 8.290 nan 0.000 0.532 449 V N -1.478 118.362 119.914 -0.124 0.000 2.720 449 V HA 0.078 4.199 4.120 0.001 0.000 0.256 449 V C 2.299 178.270 176.094 -0.205 0.000 1.082 449 V CA 1.331 63.548 62.300 -0.138 0.000 1.101 449 V CB -0.447 31.320 31.823 -0.093 0.000 0.693 449 V HN 0.126 nan 8.190 nan 0.000 0.479 450 R N 0.854 121.182 120.500 -0.286 0.000 2.300 450 R HA 0.304 4.645 4.340 0.001 0.000 0.199 450 R C 1.827 177.849 176.300 -0.462 0.000 0.920 450 R CA 0.729 56.606 56.100 -0.371 0.000 1.046 450 R CB 0.090 30.113 30.300 -0.462 0.000 0.984 450 R HN 0.830 nan 8.270 nan 0.000 0.493 451 G N 0.384 108.989 108.800 -0.326 0.000 2.157 451 G HA2 -0.324 3.637 3.960 0.001 0.000 0.239 451 G HA3 -0.324 3.637 3.960 0.001 0.000 0.239 451 G C 0.562 175.264 174.900 -0.329 0.000 0.982 451 G CA 0.181 45.091 45.100 -0.316 0.000 0.650 451 G HN 0.374 nan 8.290 nan 0.000 0.527 452 Y N 0.196 120.377 120.300 -0.199 0.000 2.421 452 Y HA 0.189 4.740 4.550 0.001 0.000 0.292 452 Y C 2.651 178.410 175.900 -0.236 0.000 1.136 452 Y CA 1.538 59.530 58.100 -0.180 0.000 1.255 452 Y CB -0.019 38.348 38.460 -0.156 0.000 0.991 452 Y HN 0.391 nan 8.280 nan 0.000 0.552 453 L N -0.773 120.349 121.223 -0.168 0.000 2.607 453 L HA 0.036 4.376 4.340 0.001 0.000 0.228 453 L C 1.037 177.786 176.870 -0.202 0.000 1.123 453 L CA -0.022 54.648 54.840 -0.283 0.000 0.890 453 L CB -0.128 41.690 42.059 -0.402 0.000 1.103 453 L HN 0.053 nan 8.230 nan 0.000 0.468 454 D N 1.515 121.815 120.400 -0.166 0.000 2.228 454 D HA -0.179 4.462 4.640 0.001 0.000 0.203 454 D C 1.581 177.816 176.300 -0.108 0.000 0.988 454 D CA 1.398 55.315 54.000 -0.140 0.000 0.864 454 D CB 0.083 40.799 40.800 -0.140 0.000 0.928 454 D HN 0.329 nan 8.370 nan 0.000 0.469 455 K N -0.534 119.809 120.400 -0.095 0.000 2.372 455 K HA 0.154 4.474 4.320 0.001 0.000 0.200 455 K C 0.164 176.733 176.600 -0.051 0.000 1.022 455 K CA -0.406 55.844 56.287 -0.062 0.000 1.125 455 K CB 0.859 33.333 32.500 -0.044 0.000 0.855 455 K HN 0.007 nan 8.250 nan 0.000 0.524 456 L N 1.537 122.710 121.223 -0.083 0.000 2.325 456 L HA 0.222 4.563 4.340 0.001 0.000 0.279 456 L C -0.166 176.675 176.870 -0.048 0.000 1.054 456 L CA -0.344 54.457 54.840 -0.066 0.000 0.804 456 L CB 1.205 43.161 42.059 -0.171 0.000 1.200 456 L HN -0.012 nan 8.230 nan 0.000 0.436 457 E N 5.544 125.748 120.200 0.006 0.000 2.415 457 E HA 0.023 4.374 4.350 0.001 0.000 0.263 457 E C -1.748 174.852 176.600 0.000 0.000 0.995 457 E CA -1.184 55.222 56.400 0.011 0.000 0.915 457 E CB 1.019 30.744 29.700 0.041 0.000 0.951 457 E HN 0.536 nan 8.360 nan 0.000 0.449 458 P HA -0.262 nan 4.420 nan 0.000 0.215 458 P C 1.282 178.587 177.300 0.010 0.000 1.163 458 P CA 1.952 65.041 63.100 -0.019 0.000 0.894 458 P CB 0.069 31.757 31.700 -0.019 0.000 0.791 459 S N -0.645 115.071 115.700 0.025 0.000 2.420 459 S HA -0.190 4.281 4.470 0.001 0.000 0.237 459 S C 1.713 176.360 174.600 0.078 0.000 1.023 459 S CA 1.381 59.606 58.200 0.043 0.000 0.991 459 S CB -1.004 62.219 63.200 0.038 0.000 0.792 459 S HN 0.215 nan 8.310 nan 0.000 0.488 460 K N 0.495 120.958 120.400 0.105 0.000 2.365 460 K HA 0.258 4.578 4.320 0.001 0.000 0.197 460 K C 1.728 178.449 176.600 0.201 0.000 1.042 460 K CA 0.395 56.806 56.287 0.208 0.000 0.987 460 K CB -0.133 32.549 32.500 0.304 0.000 0.779 460 K HN 0.368 nan 8.250 nan 0.000 0.484 461 I N 1.478 122.099 120.570 0.086 0.000 2.208 461 I HA -0.269 3.901 4.170 0.001 0.000 0.245 461 I C 2.430 178.633 176.117 0.144 0.000 1.097 461 I CA 1.846 63.174 61.300 0.046 0.000 1.363 461 I CB -1.708 36.272 38.000 -0.034 0.000 1.051 461 I HN 0.303 nan 8.210 nan 0.000 0.413 462 T N -0.821 113.805 114.554 0.120 0.000 2.788 462 T HA -0.221 4.130 4.350 0.001 0.000 0.268 462 T C 1.943 176.738 174.700 0.159 0.000 1.044 462 T CA 1.241 63.413 62.100 0.119 0.000 1.139 462 T CB -0.336 68.577 68.868 0.076 0.000 0.867 462 T HN 0.288 nan 8.240 nan 0.000 0.454 463 K N 0.098 120.621 120.400 0.205 0.000 2.026 463 K HA -0.098 4.222 4.320 0.001 0.000 0.208 463 K C 2.091 178.878 176.600 0.311 0.000 1.048 463 K CA 1.416 57.862 56.287 0.265 0.000 0.929 463 K CB -0.423 32.279 32.500 0.337 0.000 0.713 463 K HN 0.422 nan 8.250 nan 0.000 0.439 464 F N 2.183 122.183 119.950 0.083 0.000 2.065 464 F HA -0.260 4.267 4.527 0.001 0.000 0.298 464 F C 2.322 178.139 175.800 0.029 0.000 1.112 464 F CA 2.269 60.145 58.000 -0.206 0.000 1.212 464 F CB -0.394 38.294 39.000 -0.519 0.000 0.975 464 F HN 0.195 nan 8.300 nan 0.000 0.476 465 E N 0.071 120.394 120.200 0.205 0.000 2.097 465 E HA -0.340 4.011 4.350 0.001 0.000 0.196 465 E C 2.019 178.634 176.600 0.025 0.000 1.000 465 E CA 1.624 58.107 56.400 0.138 0.000 0.804 465 E CB -0.425 29.392 29.700 0.195 0.000 0.740 465 E HN 0.534 nan 8.360 nan 0.000 0.454 466 N N -0.097 118.633 118.700 0.050 0.000 2.084 466 N HA -0.156 4.584 4.740 0.001 0.000 0.190 466 N C 1.578 177.095 175.510 0.012 0.000 1.030 466 N CA 1.855 54.927 53.050 0.037 0.000 0.849 466 N CB -0.231 38.299 38.487 0.071 0.000 1.012 466 N HN 0.246 nan 8.380 nan 0.000 0.423 467 A N -0.518 122.337 122.820 0.058 0.000 1.897 467 A HA -0.033 4.288 4.320 0.001 0.000 0.215 467 A C 2.127 179.667 177.584 -0.073 0.000 1.181 467 A CA 1.040 53.164 52.037 0.144 0.000 0.620 467 A CB -1.089 18.150 19.000 0.399 0.000 0.821 467 A HN 0.488 nan 8.150 nan 0.000 0.443 468 F N 0.241 119.816 119.950 -0.625 0.000 2.134 468 F HA -0.120 4.407 4.527 0.001 0.000 0.299 468 F C 1.754 177.214 175.800 -0.567 0.000 1.097 468 F CA 1.710 58.999 58.000 -1.186 0.000 1.264 468 F CB -0.238 37.900 39.000 -1.435 0.000 1.001 468 F HN 0.191 nan 8.300 nan 0.000 0.479 469 L N -0.118 120.819 121.223 -0.477 0.000 2.072 469 L HA -0.087 4.253 4.340 0.001 0.000 0.205 469 L C 2.439 179.115 176.870 -0.324 0.000 1.079 469 L CA 1.905 56.493 54.840 -0.419 0.000 0.752 469 L CB -1.126 40.847 42.059 -0.143 0.000 0.906 469 L HN 0.106 nan 8.230 nan 0.000 0.436 470 S N -1.169 114.413 115.700 -0.195 0.000 2.370 470 S HA -0.293 4.178 4.470 0.001 0.000 0.226 470 S C 1.960 176.492 174.600 -0.113 0.000 1.033 470 S CA 1.570 59.704 58.200 -0.110 0.000 1.011 470 S CB -0.607 62.576 63.200 -0.028 0.000 0.852 470 S HN 0.710 nan 8.310 nan 0.000 0.457 471 H N 1.501 120.409 119.070 -0.269 0.000 2.321 471 H HA -0.064 4.493 4.556 0.001 0.000 0.300 471 H C 2.069 177.240 175.328 -0.263 0.000 1.087 471 H CA 1.971 57.878 56.048 -0.235 0.000 1.319 471 H CB -0.480 29.115 29.762 -0.279 0.000 1.379 471 H HN 0.260 nan 8.280 nan 0.000 0.501 472 V N -1.186 118.411 119.914 -0.527 0.000 2.667 472 V HA -0.063 4.057 4.120 0.001 0.000 0.252 472 V C 2.252 178.167 176.094 -0.298 0.000 1.065 472 V CA 1.710 63.727 62.300 -0.471 0.000 1.083 472 V CB -0.642 30.787 31.823 -0.656 0.000 0.692 472 V HN 0.419 nan 8.190 nan 0.000 0.468 473 I N 0.668 121.079 120.570 -0.264 0.000 2.500 473 I HA -0.087 4.083 4.170 0.001 0.000 0.252 473 I C 2.771 178.791 176.117 -0.162 0.000 1.142 473 I CA 1.452 62.644 61.300 -0.181 0.000 1.451 473 I CB -0.319 37.594 38.000 -0.146 0.000 1.093 473 I HN 0.388 nan 8.210 nan 0.000 0.430 474 S N 0.362 115.959 115.700 -0.172 0.000 2.335 474 S HA -0.142 4.328 4.470 0.001 0.000 0.217 474 S C 1.998 176.475 174.600 -0.204 0.000 1.032 474 S CA 1.368 59.482 58.200 -0.144 0.000 0.985 474 S CB 0.018 63.168 63.200 -0.084 0.000 0.896 474 S HN 0.402 nan 8.310 nan 0.000 0.445 475 Q N -1.145 118.456 119.800 -0.331 0.000 2.297 475 Q HA 0.106 4.447 4.340 0.001 0.000 0.203 475 Q C 0.074 175.688 176.000 -0.643 0.000 0.931 475 Q CA 0.573 56.077 55.803 -0.499 0.000 0.885 475 Q CB 0.293 28.625 28.738 -0.676 0.000 0.991 475 Q HN 0.656 nan 8.270 nan 0.000 0.498 476 H N -0.273 118.624 119.070 -0.288 0.000 2.474 476 H HA 0.113 4.669 4.556 0.001 0.000 0.250 476 H C 0.663 175.879 175.328 -0.186 0.000 1.307 476 H CA -0.231 55.682 56.048 -0.225 0.000 1.058 476 H CB 0.693 30.302 29.762 -0.254 0.000 1.693 476 H HN 0.030 nan 8.280 nan 0.000 0.552 477 Q N 1.440 121.177 119.800 -0.105 0.000 2.084 477 Q HA -0.103 4.237 4.340 0.001 0.000 0.202 477 Q C 2.233 178.196 176.000 -0.062 0.000 0.978 477 Q CA 1.720 57.469 55.803 -0.089 0.000 0.844 477 Q CB -0.119 28.563 28.738 -0.093 0.000 0.898 477 Q HN 0.628 nan 8.270 nan 0.000 0.426 478 A N 0.571 123.359 122.820 -0.053 0.000 1.892 478 A HA -0.211 4.109 4.320 0.001 0.000 0.218 478 A C 2.102 179.669 177.584 -0.030 0.000 1.188 478 A CA 1.630 53.645 52.037 -0.036 0.000 0.631 478 A CB -1.042 17.942 19.000 -0.028 0.000 0.822 478 A HN 0.515 nan 8.150 nan 0.000 0.447 479 L N -0.648 120.564 121.223 -0.019 0.000 2.083 479 L HA -0.136 4.205 4.340 0.001 0.000 0.209 479 L C 2.453 179.284 176.870 -0.065 0.000 1.083 479 L CA 1.486 56.300 54.840 -0.044 0.000 0.752 479 L CB -0.360 41.661 42.059 -0.062 0.000 0.899 479 L HN 0.455 nan 8.230 nan 0.000 0.433 480 L N -0.265 120.918 121.223 -0.067 0.000 2.083 480 L HA -0.189 4.152 4.340 0.001 0.000 0.209 480 L C 2.992 179.831 176.870 -0.052 0.000 1.083 480 L CA 1.319 56.116 54.840 -0.070 0.000 0.752 480 L CB -0.817 41.193 42.059 -0.082 0.000 0.899 480 L HN 0.386 nan 8.230 nan 0.000 0.433 481 S N -0.028 115.644 115.700 -0.046 0.000 2.419 481 S HA -0.208 4.262 4.470 0.001 0.000 0.235 481 S C 2.137 176.719 174.600 -0.031 0.000 1.019 481 S CA 1.460 59.639 58.200 -0.035 0.000 0.982 481 S CB -0.193 nan 63.200 nan 0.000 0.789 481 S HN 0.335 nan 8.310 nan 0.000 0.490 482 K N -0.154 120.224 120.400 -0.036 0.000 2.323 482 K HA 0.317 4.637 4.320 0.001 0.000 0.197 482 K C 1.573 178.153 176.600 -0.035 0.000 1.043 482 K CA 0.302 56.570 56.287 -0.033 0.000 0.997 482 K CB 0.010 32.489 32.500 -0.034 0.000 0.807 482 K HN 0.454 nan 8.250 nan 0.000 0.497 483 I N 0.672 121.216 120.570 -0.043 0.000 2.439 483 I HA -0.228 3.942 4.170 0.001 0.000 0.251 483 I C 2.550 178.653 176.117 -0.023 0.000 1.139 483 I CA 0.928 62.204 61.300 -0.040 0.000 1.438 483 I CB -0.113 37.854 38.000 -0.054 0.000 1.085 483 I HN 0.131 nan 8.210 nan 0.000 0.427 484 R N 0.749 121.237 120.500 -0.020 0.000 2.065 484 R HA -0.129 4.211 4.340 0.001 0.000 0.224 484 R C 2.357 178.651 176.300 -0.010 0.000 1.161 484 R CA 2.216 58.310 56.100 -0.010 0.000 0.923 484 R CB -0.531 29.765 30.300 -0.006 0.000 0.822 484 R HN 0.098 nan 8.270 nan 0.000 0.437 485 T N 1.284 115.830 114.554 -0.013 0.000 2.594 485 T HA -0.219 4.132 4.350 0.001 0.000 0.266 485 T C 1.229 175.922 174.700 -0.011 0.000 1.070 485 T CA 2.196 64.288 62.100 -0.012 0.000 1.166 485 T CB -0.613 68.247 68.868 -0.013 0.000 0.862 485 T HN 0.386 nan 8.240 nan 0.000 0.436 486 D N -0.034 120.359 120.400 -0.012 0.000 2.309 486 D HA 0.131 4.771 4.640 0.001 0.000 0.212 486 D C 1.804 178.100 176.300 -0.007 0.000 0.968 486 D CA 1.189 55.184 54.000 -0.010 0.000 0.882 486 D CB -0.554 40.239 40.800 -0.011 0.000 0.918 486 D HN 0.584 nan 8.370 nan 0.000 0.503 487 G N 0.578 109.373 108.800 -0.007 0.000 3.909 487 G HA2 -0.368 3.592 3.960 0.001 0.000 0.218 487 G HA3 -0.368 3.592 3.960 0.001 0.000 0.218 487 G C 0.643 175.542 174.900 -0.001 0.000 1.404 487 G CA 0.730 45.827 45.100 -0.005 0.000 0.905 487 G HN 0.587 nan 8.290 nan 0.000 0.589 488 K N 0.368 120.769 120.400 0.002 0.000 2.583 488 K HA 0.798 5.118 4.320 0.001 0.000 0.263 488 K C -0.103 176.499 176.600 0.003 0.000 1.038 488 K CA -0.958 55.334 56.287 0.009 0.000 1.031 488 K CB 1.046 33.555 32.500 0.015 0.000 1.399 488 K HN 0.312 nan 8.250 nan 0.000 0.531 489 I N 2.752 123.330 120.570 0.013 0.000 2.306 489 I HA 0.084 4.254 4.170 0.001 0.000 0.288 489 I C 0.186 176.308 176.117 0.008 0.000 1.036 489 I CA -0.645 60.654 61.300 -0.000 0.000 1.221 489 I CB 1.338 39.347 38.000 0.015 0.000 1.385 489 I HN 0.741 nan 8.210 nan 0.000 0.472 490 S N 3.932 119.628 115.700 -0.007 0.000 2.596 490 S HA 0.099 4.569 4.470 0.001 0.000 0.260 490 S C 1.019 175.624 174.600 0.008 0.000 1.336 490 S CA -0.336 57.864 58.200 0.001 0.000 0.993 490 S CB 0.951 64.147 63.200 -0.007 0.000 0.923 490 S HN 0.665 nan 8.310 nan 0.000 0.567 491 E N 0.369 120.578 120.200 0.015 0.000 2.160 491 E HA -0.216 4.134 4.350 0.001 0.000 0.195 491 E C 1.958 178.567 176.600 0.014 0.000 0.991 491 E CA 1.487 57.901 56.400 0.023 0.000 0.810 491 E CB -0.117 29.596 29.700 0.021 0.000 0.742 491 E HN 0.870 nan 8.360 nan 0.000 0.466 492 E N 0.255 120.455 120.200 0.001 0.000 2.072 492 E HA -0.133 4.217 4.350 0.001 0.000 0.191 492 E C 1.955 178.537 176.600 -0.029 0.000 0.985 492 E CA 1.195 57.590 56.400 -0.009 0.000 0.801 492 E CB 0.168 29.862 29.700 -0.010 0.000 0.750 492 E HN 0.036 nan 8.360 nan 0.000 0.452 493 S N 0.820 116.493 115.700 -0.044 0.000 2.402 493 S HA -0.133 4.337 4.470 0.001 0.000 0.229 493 S C 1.477 176.003 174.600 -0.125 0.000 1.021 493 S CA 0.996 59.141 58.200 -0.092 0.000 0.974 493 S CB -0.184 62.958 63.200 -0.098 0.000 0.800 493 S HN 0.297 nan 8.310 nan 0.000 0.484 494 D N 1.342 121.712 120.400 -0.050 0.000 2.264 494 D HA 0.067 4.707 4.640 0.001 0.000 0.208 494 D C 1.901 178.232 176.300 0.051 0.000 0.966 494 D CA 0.863 54.880 54.000 0.028 0.000 0.864 494 D CB -0.112 40.750 40.800 0.104 0.000 0.933 494 D HN 0.376 nan 8.370 nan 0.000 0.499 495 A N 0.339 123.167 122.820 0.014 0.000 1.855 495 A HA -0.086 4.235 4.320 0.001 0.000 0.213 495 A C 2.163 179.739 177.584 -0.013 0.000 1.195 495 A CA 1.384 53.433 52.037 0.020 0.000 0.610 495 A CB -0.305 18.704 19.000 0.015 0.000 0.837 495 A HN 0.067 nan 8.150 nan 0.000 0.444 496 K N -0.181 120.185 120.400 -0.057 0.000 2.063 496 K HA -0.020 4.300 4.320 0.001 0.000 0.208 496 K C 1.798 178.311 176.600 -0.146 0.000 1.048 496 K CA 1.312 57.538 56.287 -0.102 0.000 0.928 496 K CB -0.418 32.005 32.500 -0.128 0.000 0.713 496 K HN 0.454 nan 8.250 nan 0.000 0.442 497 L N 0.388 121.504 121.223 -0.178 0.000 2.027 497 L HA -0.152 4.188 4.340 0.001 0.000 0.206 497 L C 2.463 179.274 176.870 -0.097 0.000 1.074 497 L CA 1.419 56.133 54.840 -0.208 0.000 0.745 497 L CB -0.412 41.315 42.059 -0.553 0.000 0.898 497 L HN 0.186 nan 8.230 nan 0.000 0.433 498 K N -0.219 120.184 120.400 0.005 0.000 2.127 498 K HA -0.236 4.084 4.320 0.001 0.000 0.208 498 K C 1.941 178.528 176.600 -0.023 0.000 1.047 498 K CA 1.578 57.887 56.287 0.038 0.000 0.927 498 K CB 0.156 32.759 32.500 0.173 0.000 0.716 498 K HN 0.231 nan 8.250 nan 0.000 0.450 499 E N 0.328 120.524 120.200 -0.007 0.000 2.102 499 E HA -0.037 4.314 4.350 0.001 0.000 0.190 499 E C 2.108 178.725 176.600 0.029 0.000 0.971 499 E CA 0.682 57.094 56.400 0.020 0.000 0.821 499 E CB -0.164 29.553 29.700 0.029 0.000 0.777 499 E HN 0.363 nan 8.360 nan 0.000 0.460 500 I N 0.963 121.527 120.570 -0.010 0.000 2.151 500 I HA -0.274 3.897 4.170 0.001 0.000 0.243 500 I C 2.333 178.557 176.117 0.179 0.000 1.080 500 I CA 0.976 62.311 61.300 0.058 0.000 1.339 500 I CB -0.297 37.648 38.000 -0.091 0.000 1.039 500 I HN -0.065 nan 8.210 nan 0.000 0.409 501 V N 0.698 120.645 119.914 0.055 0.000 2.244 501 V HA -0.276 3.844 4.120 0.001 0.000 0.244 501 V C 2.664 178.811 176.094 0.089 0.000 1.042 501 V CA 2.479 64.786 62.300 0.012 0.000 1.006 501 V CB -1.439 30.160 31.823 -0.372 0.000 0.641 501 V HN 0.604 nan 8.190 nan 0.000 0.446 502 T N -0.591 113.966 114.554 0.006 0.000 2.685 502 T HA -0.285 4.066 4.350 0.001 0.000 0.268 502 T C 1.738 176.524 174.700 0.142 0.000 1.034 502 T CA 2.027 64.192 62.100 0.109 0.000 1.149 502 T CB -0.543 68.399 68.868 0.122 0.000 0.860 502 T HN 0.423 nan 8.240 nan 0.000 0.449 503 N N 0.529 119.319 118.700 0.149 0.000 2.109 503 N HA 0.066 4.806 4.740 0.001 0.000 0.188 503 N C 1.550 177.163 175.510 0.170 0.000 1.034 503 N CA 0.937 54.073 53.050 0.144 0.000 0.846 503 N CB -0.646 37.924 38.487 0.138 0.000 1.010 503 N HN 0.412 nan 8.380 nan 0.000 0.425 504 F N 2.029 122.043 119.950 0.106 0.000 2.063 504 F HA -0.229 4.298 4.527 0.001 0.000 0.298 504 F C 2.275 178.179 175.800 0.174 0.000 1.109 504 F CA 1.163 59.228 58.000 0.108 0.000 1.212 504 F CB -0.469 38.627 39.000 0.160 0.000 0.973 504 F HN -0.020 nan 8.300 nan 0.000 0.480 505 L N 0.645 122.089 121.223 0.368 0.000 2.042 505 L HA -0.104 4.236 4.340 0.001 0.000 0.210 505 L C 2.459 179.446 176.870 0.194 0.000 1.076 505 L CA 2.116 57.150 54.840 0.323 0.000 0.749 505 L CB -1.334 40.882 42.059 0.261 0.000 0.893 505 L HN 0.177 nan 8.230 nan 0.000 0.432 506 A N -0.555 122.341 122.820 0.127 0.000 1.940 506 A HA -0.104 4.216 4.320 0.001 0.000 0.219 506 A C 2.340 179.947 177.584 0.037 0.000 1.176 506 A CA 1.618 53.703 52.037 0.081 0.000 0.631 506 A CB -1.603 17.436 19.000 0.065 0.000 0.814 506 A HN 0.549 nan 8.150 nan 0.000 0.446 507 G N -1.424 107.363 108.800 -0.021 0.000 2.418 507 G HA2 -0.200 3.761 3.960 0.001 0.000 0.217 507 G HA3 -0.200 3.761 3.960 0.001 0.000 0.217 507 G C 1.441 176.281 174.900 -0.100 0.000 1.158 507 G CA 1.074 46.113 45.100 -0.102 0.000 0.771 507 G HN 0.461 nan 8.290 nan 0.000 0.545 508 F N 1.371 121.167 119.950 -0.258 0.000 2.046 508 F HA -0.043 4.484 4.527 0.001 0.000 0.297 508 F C 2.655 178.421 175.800 -0.058 0.000 1.123 508 F CA 2.122 60.023 58.000 -0.165 0.000 1.199 508 F CB -0.069 38.903 39.000 -0.048 0.000 0.972 508 F HN 0.208 nan 8.300 nan 0.000 0.474 509 E N 0.469 120.760 120.200 0.152 0.000 2.482 509 E HA 0.069 4.420 4.350 0.001 0.000 0.196 509 E C 0.997 177.585 176.600 -0.021 0.000 1.047 509 E CA 0.103 56.538 56.400 0.058 0.000 0.869 509 E CB -0.158 29.621 29.700 0.131 0.000 0.836 509 E HN 0.410 nan 8.360 nan 0.000 0.520 510 A N 0.000 122.799 122.820 -0.035 0.000 2.254 510 A HA 0.000 4.320 4.320 0.001 0.000 0.244 510 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 510 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486