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 2d0v_1_A DATA FIRST_RESID 1 DATA SEQUENCE NDKLIELSNS NENWVMPGKN YDSNNYSTST QINVDNVKQL KHAWSFSTGE DATA SEQUENCE LHGHEGAPLV IGDVMYVHSS FPNKTFALDL NDPGHILWQH SPKQDPAARS DATA SEQUENCE VACCDLVNRG LAYWPGDDKT PSLIIKTQLD GHLVALNAKT GEEFWKVENG DATA SEQUENCE DIKVGQTLTQ APYVVHDLAI VGSSGAELGV RGHVTAYNVR TGEQAWRYYA DATA SEQUENCE TGPDAEIGLA DDFNSANPHY GQKGLGTATW EGDAWKIGGG TNWGWYAYDP DATA SEQUENCE AANLIYYGSG NPAPWNETMR PGDNKWTMTI TARDADTGKM KFGYQKTPHD DATA SEQUENCE EWDFAGVNVI MLSEQTDKTG KKRKLLTHPD RNGIVYTLDR ENGDLISADK DATA SEQUENCE LDDTVNVFKT VDLKTGLPVR DPEYGTRMDH KGTDIcPSAM GYHNQGHDSY DATA SEQUENCE DPQKQLFFMG INHIcMDWEP FMLPYRAGQF FVGATLWMYP GPKGDRQNYL DATA SEQUENCE GLGQIKAYNA ITNEYKWQHM ERFSVWGGTL ATAGNLVFYG TLDGFLKARN DATA SEQUENCE SDTGELVWKH KLPSGVIGYP MTYEHKGVQY IAVMSGVGGW PGVGLVFDLQ DATA SEQUENCE DPTAGLGAVG AFKNLQNYTQ MGGSLEVFSL DGKNPYDDVN VGEYEKG 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 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.676 175.510 0.277 0.000 1.280 1 N CA 0.000 53.237 53.050 0.312 0.000 0.885 1 N CB 0.000 38.630 38.487 0.239 0.000 1.341 2 D N 2.116 122.635 120.400 0.199 0.000 2.224 2 D HA -0.037 4.597 4.640 -0.009 0.000 0.205 2 D C 1.322 177.683 176.300 0.100 0.000 0.965 2 D CA 1.018 55.113 54.000 0.158 0.000 0.852 2 D CB 0.607 41.475 40.800 0.112 0.000 0.947 2 D HN 0.572 nan 8.370 nan 0.000 0.494 3 K N 0.474 120.897 120.400 0.039 0.000 2.057 3 K HA -0.045 4.270 4.320 -0.009 0.000 0.207 3 K C 2.335 178.940 176.600 0.009 0.000 1.049 3 K CA 0.479 56.758 56.287 -0.013 0.000 0.931 3 K CB -0.099 32.335 32.500 -0.110 0.000 0.714 3 K HN 0.148 nan 8.250 nan 0.000 0.440 4 L N 1.171 122.407 121.223 0.022 0.000 2.042 4 L HA -0.205 4.129 4.340 -0.009 0.000 0.210 4 L C 2.400 179.281 176.870 0.019 0.000 1.076 4 L CA 1.135 55.982 54.840 0.012 0.000 0.749 4 L CB -0.474 41.565 42.059 -0.033 0.000 0.893 4 L HN 0.198 nan 8.230 nan 0.000 0.432 5 I N -0.246 120.402 120.570 0.131 0.000 2.163 5 I HA -0.344 3.821 4.170 -0.009 0.000 0.243 5 I C 2.560 178.723 176.117 0.077 0.000 1.085 5 I CA 1.765 63.154 61.300 0.148 0.000 1.347 5 I CB -0.445 37.700 38.000 0.242 0.000 1.044 5 I HN 0.377 nan 8.210 nan 0.000 0.408 6 E N 1.538 121.778 120.200 0.067 0.000 2.051 6 E HA -0.203 4.142 4.350 -0.009 0.000 0.192 6 E C 2.357 178.977 176.600 0.033 0.000 0.991 6 E CA 1.143 57.571 56.400 0.047 0.000 0.799 6 E CB -0.079 29.645 29.700 0.040 0.000 0.748 6 E HN 0.399 nan 8.360 nan 0.000 0.449 7 L N 0.963 122.203 121.223 0.028 0.000 2.083 7 L HA -0.178 4.157 4.340 -0.009 0.000 0.209 7 L C 2.730 179.604 176.870 0.007 0.000 1.083 7 L CA 1.367 56.222 54.840 0.026 0.000 0.752 7 L CB -0.554 41.531 42.059 0.044 0.000 0.899 7 L HN 0.249 nan 8.230 nan 0.000 0.433 8 S N -0.482 115.206 115.700 -0.020 0.000 2.442 8 S HA -0.140 4.324 4.470 -0.009 0.000 0.236 8 S C 1.613 176.199 174.600 -0.023 0.000 1.007 8 S CA 1.112 59.276 58.200 -0.060 0.000 0.965 8 S CB -0.535 62.592 63.200 -0.122 0.000 0.773 8 S HN 0.449 nan 8.310 nan 0.000 0.504 9 N N 1.654 120.361 118.700 0.011 0.000 2.571 9 N HA 0.084 4.818 4.740 -0.009 0.000 0.189 9 N C 0.174 175.702 175.510 0.029 0.000 1.154 9 N CA 0.448 53.515 53.050 0.027 0.000 0.907 9 N CB -0.072 38.438 38.487 0.040 0.000 0.977 9 N HN 0.456 nan 8.380 nan 0.000 0.449 10 S N 0.036 115.754 115.700 0.030 0.000 2.442 10 S HA 0.269 4.734 4.470 -0.009 0.000 0.297 10 S C 0.857 175.495 174.600 0.062 0.000 1.131 10 S CA -0.735 57.491 58.200 0.043 0.000 1.092 10 S CB 0.486 63.713 63.200 0.045 0.000 0.998 10 S HN 0.144 nan 8.310 nan 0.000 0.478 11 N N 2.957 121.699 118.700 0.069 0.000 2.519 11 N HA -0.100 4.635 4.740 -0.009 0.000 0.186 11 N C 0.736 176.347 175.510 0.169 0.000 1.062 11 N CA 0.729 53.842 53.050 0.105 0.000 0.910 11 N CB 0.097 38.628 38.487 0.073 0.000 0.958 11 N HN 0.709 nan 8.380 nan 0.000 0.445 12 E N 0.071 120.357 120.200 0.144 0.000 2.502 12 E HA 0.067 4.411 4.350 -0.009 0.000 0.194 12 E C -0.419 176.293 176.600 0.188 0.000 1.062 12 E CA 0.288 56.802 56.400 0.191 0.000 0.867 12 E CB 0.222 30.004 29.700 0.136 0.000 0.888 12 E HN 0.308 nan 8.360 nan 0.000 0.510 13 N N 0.032 118.830 118.700 0.164 0.000 2.262 13 N HA 0.210 4.944 4.740 -0.009 0.000 0.295 13 N C -1.674 173.963 175.510 0.212 0.000 1.161 13 N CA -0.552 52.571 53.050 0.123 0.000 0.767 13 N CB 1.433 39.950 38.487 0.051 0.000 1.499 13 N HN 0.056 nan 8.380 nan 0.000 0.476 14 W N 2.676 123.981 121.300 0.008 0.000 2.631 14 W HA 0.326 4.981 4.660 -0.009 0.000 0.321 14 W C -0.311 176.220 176.519 0.019 0.000 1.004 14 W CA -0.717 56.656 57.345 0.046 0.000 1.291 14 W CB 0.838 30.349 29.460 0.084 0.000 1.300 14 W HN 0.348 nan 8.180 nan 0.000 0.422 15 V N 4.006 123.902 119.914 -0.029 0.000 3.578 15 V HA 0.344 4.458 4.120 -0.009 0.000 0.290 15 V C 0.208 176.345 176.094 0.071 0.000 1.376 15 V CA 0.537 62.855 62.300 0.031 0.000 1.083 15 V CB -0.285 31.541 31.823 0.006 0.000 0.911 15 V HN 0.478 nan 8.190 nan 0.000 0.433 16 M N -2.152 117.469 119.600 0.035 0.000 2.644 16 M HA 0.751 5.226 4.480 -0.009 0.000 0.273 16 M C -3.273 173.198 176.300 0.285 0.000 1.253 16 M CA -1.784 53.581 55.300 0.107 0.000 0.852 16 M CB 1.596 34.135 32.600 -0.102 0.000 1.708 16 M HN -0.291 nan 8.290 nan 0.000 0.471 17 P HA 0.138 nan 4.420 nan 0.000 0.262 17 P C 0.865 178.383 177.300 0.364 0.000 1.182 17 P CA 1.947 65.406 63.100 0.598 0.000 0.761 17 P CB 0.366 32.534 31.700 0.781 0.000 0.795 18 G N 2.611 111.451 108.800 0.067 0.000 2.168 18 G HA2 -0.373 3.581 3.960 -0.009 0.000 0.263 18 G HA3 -0.373 3.581 3.960 -0.009 0.000 0.263 18 G C 0.967 175.753 174.900 -0.190 0.000 0.977 18 G CA 0.725 45.587 45.100 -0.395 0.000 0.659 18 G HN 0.720 nan 8.290 nan 0.000 0.533 19 K N -2.021 118.159 120.400 -0.368 0.000 3.300 19 K HA -0.341 3.974 4.320 -0.009 0.000 0.378 19 K C 0.510 176.769 176.600 -0.568 0.000 0.579 19 K CA 2.654 58.278 56.287 -1.106 0.000 1.666 19 K CB -1.517 30.051 32.500 -1.552 0.000 1.092 19 K HN 1.477 nan 8.250 nan 0.000 0.451 20 N N -2.502 116.047 118.700 -0.252 0.000 2.934 20 N HA 0.194 4.928 4.740 -0.009 0.000 0.253 20 N C 0.145 175.696 175.510 0.068 0.000 1.466 20 N CA -0.501 52.462 53.050 -0.144 0.000 0.858 20 N CB -0.199 38.254 38.487 -0.057 0.000 1.459 20 N HN 0.006 nan 8.380 nan 0.000 0.532 21 Y N -0.688 119.736 120.300 0.206 0.000 2.509 21 Y HA -0.050 4.494 4.550 -0.010 0.000 0.293 21 Y C 0.754 176.850 175.900 0.326 0.000 1.133 21 Y CA 0.476 58.780 58.100 0.339 0.000 1.283 21 Y CB 0.132 38.803 38.460 0.352 0.000 1.001 21 Y HN 0.520 nan 8.280 nan 0.000 0.555 22 D N -0.574 120.049 120.400 0.373 0.000 2.219 22 D HA -0.143 4.491 4.640 -0.009 0.000 0.205 22 D C 1.079 177.550 176.300 0.284 0.000 0.970 22 D CA 1.261 55.429 54.000 0.280 0.000 0.851 22 D CB -0.201 40.729 40.800 0.217 0.000 0.943 22 D HN 0.031 nan 8.370 nan 0.000 0.488 23 S N -0.016 115.869 115.700 0.307 0.000 3.858 23 S HA -0.193 4.271 4.470 -0.009 0.000 0.356 23 S C 0.573 175.396 174.600 0.372 0.000 1.013 23 S CA 0.682 59.097 58.200 0.357 0.000 1.083 23 S CB -1.597 61.842 63.200 0.398 0.000 0.883 23 S HN 0.523 nan 8.310 nan 0.000 0.475 24 N N 1.043 119.924 118.700 0.301 0.000 2.184 24 N HA 0.165 4.899 4.740 -0.009 0.000 0.206 24 N C 0.151 175.880 175.510 0.366 0.000 1.151 24 N CA 0.377 53.638 53.050 0.351 0.000 0.878 24 N CB -0.706 38.000 38.487 0.365 0.000 1.014 24 N HN 0.604 nan 8.380 nan 0.000 0.512 25 N N -0.389 118.476 118.700 0.274 0.000 2.716 25 N HA -0.288 4.446 4.740 -0.009 0.000 0.250 25 N C -1.512 174.248 175.510 0.417 0.000 1.033 25 N CA 0.363 53.614 53.050 0.335 0.000 0.727 25 N CB -1.098 37.598 38.487 0.349 0.000 0.950 25 N HN 0.534 nan 8.380 nan 0.000 0.541 26 Y N 0.688 121.100 120.300 0.187 0.000 2.335 26 Y HA 0.404 4.950 4.550 -0.008 0.000 0.338 26 Y C -0.285 175.697 175.900 0.136 0.000 0.977 26 Y CA -0.631 57.571 58.100 0.171 0.000 1.114 26 Y CB 1.443 39.980 38.460 0.128 0.000 1.182 26 Y HN 0.003 nan 8.280 nan 0.000 0.463 27 S N 3.120 118.522 115.700 -0.496 0.000 2.473 27 S HA 0.221 4.685 4.470 -0.009 0.000 0.307 27 S C 0.559 174.767 174.600 -0.654 0.000 1.094 27 S CA -0.112 57.865 58.200 -0.371 0.000 1.070 27 S CB 0.972 64.130 63.200 -0.070 0.000 1.019 27 S HN 0.859 nan 8.310 nan 0.000 0.480 28 T N 1.391 115.717 114.554 -0.380 0.000 3.194 28 T HA 0.188 4.532 4.350 -0.009 0.000 0.251 28 T C 0.610 175.246 174.700 -0.107 0.000 1.132 28 T CA -0.188 61.786 62.100 -0.210 0.000 1.028 28 T CB -0.259 68.590 68.868 -0.033 0.000 0.976 28 T HN 0.384 nan 8.240 nan 0.000 0.535 29 S N 2.472 118.105 115.700 -0.112 0.000 2.533 29 S HA 0.307 4.772 4.470 -0.009 0.000 0.282 29 S C 1.408 175.975 174.600 -0.056 0.000 1.304 29 S CA 0.047 58.209 58.200 -0.064 0.000 1.063 29 S CB 0.871 64.037 63.200 -0.058 0.000 0.881 29 S HN 0.739 nan 8.310 nan 0.000 0.493 30 T N 0.070 114.599 114.554 -0.042 0.000 3.043 30 T HA 0.148 4.492 4.350 -0.009 0.000 0.272 30 T C 1.256 175.931 174.700 -0.042 0.000 0.990 30 T CA -0.298 61.785 62.100 -0.030 0.000 0.897 30 T CB -0.001 68.858 68.868 -0.014 0.000 1.111 30 T HN 0.550 nan 8.240 nan 0.000 0.529 31 Q N 0.718 120.481 119.800 -0.061 0.000 2.226 31 Q HA 0.103 4.438 4.340 -0.009 0.000 0.204 31 Q C 0.084 176.031 176.000 -0.088 0.000 0.975 31 Q CA 0.806 56.563 55.803 -0.076 0.000 0.866 31 Q CB -0.058 28.622 28.738 -0.097 0.000 0.915 31 Q HN 0.641 nan 8.270 nan 0.000 0.440 32 I N 2.017 122.534 120.570 -0.089 0.000 2.404 32 I HA 0.270 4.435 4.170 -0.009 0.000 0.293 32 I C -0.743 175.349 176.117 -0.042 0.000 0.992 32 I CA -0.821 60.426 61.300 -0.088 0.000 1.149 32 I CB 1.641 39.571 38.000 -0.117 0.000 1.315 32 I HN 0.249 nan 8.210 nan 0.000 0.446 33 N N 2.968 121.638 118.700 -0.051 0.000 3.116 33 N HA 0.204 4.938 4.740 -0.009 0.000 0.244 33 N C 0.341 175.816 175.510 -0.059 0.000 1.485 33 N CA -0.834 52.194 53.050 -0.037 0.000 0.884 33 N CB 0.897 39.368 38.487 -0.026 0.000 1.415 33 N HN 0.187 nan 8.380 nan 0.000 0.524 34 V N -2.963 116.920 119.914 -0.052 0.000 2.313 34 V HA -0.272 3.842 4.120 -0.009 0.000 0.253 34 V C 1.043 177.107 176.094 -0.051 0.000 1.070 34 V CA 2.243 64.507 62.300 -0.060 0.000 1.057 34 V CB -0.794 31.001 31.823 -0.046 0.000 0.653 34 V HN 0.703 nan 8.190 nan 0.000 0.450 35 D N 1.294 121.670 120.400 -0.040 0.000 2.312 35 D HA -0.059 4.576 4.640 -0.009 0.000 0.211 35 D C 1.613 177.890 176.300 -0.038 0.000 0.964 35 D CA 1.510 55.490 54.000 -0.033 0.000 0.877 35 D CB -0.239 40.546 40.800 -0.025 0.000 0.924 35 D HN 0.866 nan 8.370 nan 0.000 0.515 36 N N -0.775 117.893 118.700 -0.053 0.000 2.159 36 N HA -0.055 4.680 4.740 -0.009 0.000 0.217 36 N C 1.269 176.724 175.510 -0.093 0.000 1.223 36 N CA -0.130 52.885 53.050 -0.060 0.000 0.896 36 N CB -0.224 38.227 38.487 -0.059 0.000 1.064 36 N HN -0.105 nan 8.380 nan 0.000 0.518 37 V N 1.339 121.181 119.914 -0.120 0.000 2.636 37 V HA -0.203 3.911 4.120 -0.009 0.000 0.258 37 V C 1.693 177.666 176.094 -0.202 0.000 1.092 37 V CA 1.817 63.986 62.300 -0.217 0.000 1.110 37 V CB -0.504 31.192 31.823 -0.213 0.000 0.685 37 V HN 0.326 nan 8.190 nan 0.000 0.481 38 K N -0.864 119.512 120.400 -0.040 0.000 2.504 38 K HA -0.086 4.229 4.320 -0.009 0.000 0.195 38 K C 1.816 178.458 176.600 0.070 0.000 1.036 38 K CA 0.785 57.120 56.287 0.081 0.000 0.984 38 K CB -0.039 32.513 32.500 0.086 0.000 0.788 38 K HN 0.589 nan 8.250 nan 0.000 0.488 39 Q N 0.334 120.122 119.800 -0.021 0.000 2.392 39 Q HA 0.061 4.395 4.340 -0.009 0.000 0.203 39 Q C -0.233 175.742 176.000 -0.043 0.000 0.917 39 Q CA -0.265 55.532 55.803 -0.011 0.000 0.939 39 Q CB 0.342 29.060 28.738 -0.034 0.000 1.063 39 Q HN 0.096 nan 8.270 nan 0.000 0.516 40 L N 2.289 123.408 121.223 -0.173 0.000 2.534 40 L HA -0.007 4.327 4.340 -0.009 0.000 0.271 40 L C -0.455 176.462 176.870 0.078 0.000 1.178 40 L CA 0.987 55.679 54.840 -0.246 0.000 0.907 40 L CB 0.127 41.666 42.059 -0.868 0.000 1.164 40 L HN -0.119 nan 8.230 nan 0.000 0.482 41 K N 3.479 123.973 120.400 0.156 0.000 2.439 41 K HA 0.336 4.651 4.320 -0.009 0.000 0.260 41 K C -0.836 175.895 176.600 0.218 0.000 1.032 41 K CA -0.852 55.595 56.287 0.267 0.000 0.882 41 K CB 0.991 33.591 32.500 0.166 0.000 1.420 41 K HN 0.548 nan 8.250 nan 0.000 0.455 42 H N 0.284 119.309 119.070 -0.074 0.000 2.803 42 H HA 0.177 4.727 4.556 -0.009 0.000 0.330 42 H C -0.024 175.161 175.328 -0.239 0.000 1.057 42 H CA 0.733 56.463 56.048 -0.531 0.000 1.458 42 H CB 1.247 30.770 29.762 -0.399 0.000 1.470 42 H HN 0.691 nan 8.280 nan 0.000 0.560 43 A N 6.362 128.759 122.820 -0.705 0.000 1.970 43 A HA 0.186 4.500 4.320 -0.009 0.000 0.204 43 A C -0.069 177.506 177.584 -0.015 0.000 1.325 43 A CA 0.486 52.415 52.037 -0.180 0.000 0.767 43 A CB 0.576 19.598 19.000 0.036 0.000 0.949 43 A HN 0.835 nan 8.150 nan 0.000 0.481 44 W N -1.773 119.212 121.300 -0.526 0.000 2.926 44 W HA 0.593 5.247 4.660 -0.009 0.000 0.361 44 W C -1.185 175.207 176.519 -0.211 0.000 1.195 44 W CA -0.134 57.087 57.345 -0.206 0.000 1.177 44 W CB 0.194 29.645 29.460 -0.015 0.000 1.453 44 W HN 0.474 nan 8.180 nan 0.000 0.571 45 S N 0.351 116.297 115.700 0.409 0.000 2.618 45 S HA 0.875 5.339 4.470 -0.009 0.000 0.277 45 S C -1.797 173.098 174.600 0.491 0.000 1.138 45 S CA -0.800 57.558 58.200 0.264 0.000 0.844 45 S CB 3.144 66.491 63.200 0.245 0.000 1.127 45 S HN 0.752 nan 8.310 nan 0.000 0.474 46 F N 1.933 121.973 119.950 0.149 0.000 2.585 46 F HA 0.585 5.107 4.527 -0.009 0.000 0.319 46 F C -0.277 175.496 175.800 -0.045 0.000 1.165 46 F CA -0.352 57.697 58.000 0.082 0.000 0.949 46 F CB 1.761 40.833 39.000 0.119 0.000 1.218 46 F HN 0.926 nan 8.300 nan 0.000 0.453 47 S N 2.431 117.738 115.700 -0.654 0.000 2.585 47 S HA 0.278 4.743 4.470 -0.009 0.000 0.277 47 S C 0.800 174.701 174.600 -1.164 0.000 1.241 47 S CA 0.193 57.990 58.200 -0.673 0.000 1.041 47 S CB 1.508 64.486 63.200 -0.370 0.000 0.987 47 S HN 0.846 nan 8.310 nan 0.000 0.512 48 T N -1.000 113.183 114.554 -0.618 0.000 3.100 48 T HA 0.335 4.680 4.350 -0.009 0.000 0.253 48 T C 1.509 176.174 174.700 -0.058 0.000 1.118 48 T CA 0.515 62.402 62.100 -0.356 0.000 1.058 48 T CB -0.838 68.158 68.868 0.214 0.000 0.953 48 T HN 2.017 nan 8.240 nan 0.000 0.515 49 G N 0.930 109.651 108.800 -0.131 0.000 2.153 49 G HA2 -0.181 3.774 3.960 -0.009 0.000 0.252 49 G HA3 -0.181 3.774 3.960 -0.009 0.000 0.252 49 G C -0.297 174.646 174.900 0.071 0.000 0.994 49 G CA 0.186 45.274 45.100 -0.021 0.000 0.698 49 G HN 0.627 nan 8.290 nan 0.000 0.521 50 E N -0.866 119.412 120.200 0.130 0.000 2.343 50 E HA 0.700 5.044 4.350 -0.009 0.000 0.270 50 E C 0.464 177.223 176.600 0.267 0.000 0.895 50 E CA -0.708 55.817 56.400 0.208 0.000 0.767 50 E CB 2.067 31.910 29.700 0.237 0.000 1.248 50 E HN 0.215 nan 8.360 nan 0.000 0.440 51 L N 0.881 122.258 121.223 0.257 0.000 2.687 51 L HA 0.522 4.856 4.340 -0.009 0.000 0.252 51 L C 0.198 177.284 176.870 0.360 0.000 1.115 51 L CA -0.761 54.206 54.840 0.211 0.000 0.893 51 L CB 0.346 42.426 42.059 0.034 0.000 1.670 51 L HN 0.535 nan 8.230 nan 0.000 0.531 52 H N -1.421 117.697 119.070 0.079 0.000 4.827 52 H HA -0.128 4.422 4.556 -0.009 0.000 0.256 52 H C 0.013 175.465 175.328 0.207 0.000 0.525 52 H CA 0.487 56.578 56.048 0.072 0.000 0.694 52 H CB -0.753 29.033 29.762 0.040 0.000 0.862 52 H HN 0.851 nan 8.280 nan 0.000 0.305 53 G N 1.517 110.488 108.800 0.285 0.000 2.265 53 G HA2 0.087 4.042 3.960 -0.009 0.000 0.240 53 G HA3 0.087 4.042 3.960 -0.009 0.000 0.240 53 G C -0.151 174.906 174.900 0.261 0.000 1.270 53 G CA -0.013 45.248 45.100 0.269 0.000 0.901 53 G HN 0.525 nan 8.290 nan 0.000 0.507 54 H N 2.718 121.878 119.070 0.149 0.000 2.673 54 H HA 0.223 4.773 4.556 -0.009 0.000 0.293 54 H C 0.095 175.537 175.328 0.189 0.000 1.065 54 H CA -0.295 55.829 56.048 0.127 0.000 1.236 54 H CB 1.291 31.090 29.762 0.062 0.000 1.389 54 H HN 0.625 nan 8.280 nan 0.000 0.481 55 E N 1.179 121.570 120.200 0.317 0.000 2.504 55 E HA 0.456 4.801 4.350 -0.009 0.000 0.253 55 E C 0.755 177.662 176.600 0.512 0.000 1.151 55 E CA -0.465 56.191 56.400 0.426 0.000 0.972 55 E CB 1.420 31.400 29.700 0.466 0.000 1.247 55 E HN 0.730 nan 8.360 nan 0.000 0.519 56 G N 0.003 109.144 108.800 0.567 0.000 2.552 56 G HA2 0.023 3.977 3.960 -0.009 0.000 0.265 56 G HA3 0.023 3.977 3.960 -0.009 0.000 0.265 56 G C -0.625 174.319 174.900 0.074 0.000 1.234 56 G CA -0.280 45.134 45.100 0.523 0.000 0.944 56 G HN 1.063 nan 8.290 nan 0.000 0.568 57 A N -0.676 122.186 122.820 0.068 0.000 2.590 57 A HA 0.803 5.118 4.320 -0.009 0.000 0.296 57 A C -2.705 174.898 177.584 0.031 0.000 1.050 57 A CA 0.260 52.185 52.037 -0.187 0.000 0.697 57 A CB 1.214 19.663 19.000 -0.917 0.000 1.277 57 A HN 1.109 nan 8.150 nan 0.000 0.411 58 P HA 0.444 nan 4.420 nan 0.000 0.272 58 P C -0.615 176.732 177.300 0.079 0.000 1.254 58 P CA -0.057 63.097 63.100 0.091 0.000 0.795 58 P CB 0.455 32.163 31.700 0.012 0.000 1.022 59 L N -0.420 120.897 121.223 0.157 0.000 2.334 59 L HA 0.555 4.889 4.340 -0.009 0.000 0.272 59 L C -0.196 176.709 176.870 0.059 0.000 1.020 59 L CA -1.164 53.799 54.840 0.205 0.000 0.812 59 L CB 1.883 44.083 42.059 0.235 0.000 1.264 59 L HN 0.044 nan 8.230 nan 0.000 0.439 60 V N 3.607 123.542 119.914 0.034 0.000 2.525 60 V HA 0.422 4.536 4.120 -0.009 0.000 0.299 60 V C -0.447 175.587 176.094 -0.101 0.000 1.034 60 V CA -0.384 61.818 62.300 -0.164 0.000 0.863 60 V CB 2.224 33.794 31.823 -0.421 0.000 0.999 60 V HN 0.411 nan 8.190 nan 0.000 0.423 61 I N 4.601 125.083 120.570 -0.147 0.000 2.437 61 I HA 0.536 4.700 4.170 -0.009 0.000 0.279 61 I C 1.116 177.176 176.117 -0.094 0.000 1.028 61 I CA 0.366 61.575 61.300 -0.152 0.000 1.142 61 I CB 0.455 38.263 38.000 -0.320 0.000 1.266 61 I HN 0.835 nan 8.210 nan 0.000 0.461 62 G N 6.984 115.762 108.800 -0.036 0.000 2.665 62 G HA2 -0.344 3.610 3.960 -0.009 0.000 0.326 62 G HA3 -0.344 3.610 3.960 -0.009 0.000 0.326 62 G C 0.719 175.623 174.900 0.007 0.000 1.231 62 G CA 0.738 45.846 45.100 0.014 0.000 0.992 62 G HN 0.492 nan 8.290 nan 0.000 0.549 63 D N 0.510 120.906 120.400 -0.007 0.000 2.347 63 D HA 0.219 4.853 4.640 -0.009 0.000 0.213 63 D C 1.025 177.196 176.300 -0.216 0.000 0.985 63 D CA 0.762 54.736 54.000 -0.043 0.000 0.879 63 D CB 0.252 41.050 40.800 -0.002 0.000 0.919 63 D HN 0.266 nan 8.370 nan 0.000 0.526 64 V N 1.788 121.542 119.914 -0.267 0.000 2.435 64 V HA 0.275 4.390 4.120 -0.009 0.000 0.290 64 V C 0.134 175.868 176.094 -0.601 0.000 1.030 64 V CA -0.608 61.406 62.300 -0.477 0.000 0.881 64 V CB 2.123 33.627 31.823 -0.532 0.000 0.983 64 V HN -0.014 nan 8.190 nan 0.000 0.445 65 M N 5.305 124.520 119.600 -0.642 0.000 2.238 65 M HA 0.526 5.000 4.480 -0.009 0.000 0.350 65 M C -1.793 174.081 176.300 -0.710 0.000 1.138 65 M CA -0.442 54.520 55.300 -0.564 0.000 1.040 65 M CB 1.068 33.434 32.600 -0.390 0.000 1.639 65 M HN 0.638 nan 8.290 nan 0.000 0.451 66 Y N 4.250 124.435 120.300 -0.192 0.000 2.342 66 Y HA 0.524 5.068 4.550 -0.010 0.000 0.338 66 Y C -0.038 175.866 175.900 0.006 0.000 0.965 66 Y CA -0.680 57.339 58.100 -0.135 0.000 1.159 66 Y CB 1.248 39.663 38.460 -0.076 0.000 1.157 66 Y HN 0.482 nan 8.280 nan 0.000 0.486 67 V N 4.291 124.322 119.914 0.195 0.000 2.881 67 V HA 0.689 4.803 4.120 -0.009 0.000 0.316 67 V C -0.977 175.413 176.094 0.493 0.000 1.070 67 V CA -0.387 62.120 62.300 0.344 0.000 0.976 67 V CB 1.834 33.814 31.823 0.263 0.000 1.038 67 V HN 0.887 nan 8.190 nan 0.000 0.446 68 H N 2.628 121.898 119.070 0.335 0.000 2.806 68 H HA 0.738 5.289 4.556 -0.009 0.000 0.367 68 H C -0.730 174.777 175.328 0.298 0.000 1.136 68 H CA -0.100 56.106 56.048 0.265 0.000 1.178 68 H CB 1.399 31.280 29.762 0.199 0.000 1.718 68 H HN 0.892 nan 8.280 nan 0.000 0.540 69 S N 2.038 117.787 115.700 0.081 0.000 2.747 69 S HA 0.475 4.939 4.470 -0.009 0.000 0.300 69 S C 0.311 174.799 174.600 -0.187 0.000 1.121 69 S CA -0.174 58.002 58.200 -0.040 0.000 0.995 69 S CB 1.142 64.461 63.200 0.197 0.000 1.113 69 S HN 0.983 nan 8.310 nan 0.000 0.547 70 S N 0.472 115.888 115.700 -0.474 0.000 2.614 70 S HA 0.165 4.630 4.470 -0.009 0.000 0.251 70 S C 0.063 174.690 174.600 0.044 0.000 1.388 70 S CA -0.601 57.497 58.200 -0.169 0.000 0.973 70 S CB -0.726 62.394 63.200 -0.134 0.000 0.926 70 S HN 0.791 nan 8.310 nan 0.000 0.580 71 F N 2.296 122.213 119.950 -0.056 0.000 2.623 71 F HA 0.181 4.702 4.527 -0.010 0.000 0.381 71 F C -1.518 174.269 175.800 -0.022 0.000 1.081 71 F CA -1.302 56.678 58.000 -0.034 0.000 1.293 71 F CB 0.501 39.463 39.000 -0.064 0.000 1.006 71 F HN 0.399 nan 8.300 nan 0.000 0.578 72 P HA 0.110 nan 4.420 nan 0.000 0.236 72 P C -1.171 175.928 177.300 -0.335 0.000 1.709 72 P CA 0.010 62.570 63.100 -0.901 0.000 0.942 72 P CB -0.484 30.657 31.700 -0.930 0.000 1.615 73 N N -0.897 117.739 118.700 -0.106 0.000 2.738 73 N HA -0.182 4.552 4.740 -0.009 0.000 0.249 73 N C -0.547 174.939 175.510 -0.041 0.000 1.047 73 N CA 0.386 53.439 53.050 0.005 0.000 0.707 73 N CB -1.594 36.929 38.487 0.061 0.000 0.937 73 N HN 0.314 nan 8.380 nan 0.000 0.545 74 K N 0.625 120.958 120.400 -0.112 0.000 2.436 74 K HA 0.212 4.527 4.320 -0.009 0.000 0.275 74 K C 0.178 176.611 176.600 -0.278 0.000 0.999 74 K CA 0.401 56.525 56.287 -0.273 0.000 0.980 74 K CB 0.583 32.812 32.500 -0.451 0.000 0.919 74 K HN 0.077 nan 8.250 nan 0.000 0.484 75 T N 3.161 117.548 114.554 -0.278 0.000 2.823 75 T HA 0.554 4.898 4.350 -0.009 0.000 0.279 75 T C -0.816 173.661 174.700 -0.373 0.000 0.998 75 T CA -0.622 61.410 62.100 -0.114 0.000 0.994 75 T CB 0.320 69.331 68.868 0.238 0.000 0.960 75 T HN 0.251 nan 8.240 nan 0.000 0.448 76 F N 0.763 120.712 119.950 -0.002 0.000 2.576 76 F HA 0.712 5.233 4.527 -0.010 0.000 0.313 76 F C 0.041 175.504 175.800 -0.561 0.000 1.078 76 F CA -1.310 56.556 58.000 -0.223 0.000 0.921 76 F CB 1.728 40.654 39.000 -0.124 0.000 1.232 76 F HN 0.618 nan 8.300 nan 0.000 0.459 77 A N 3.195 125.587 122.820 -0.714 0.000 2.291 77 A HA 0.796 5.111 4.320 -0.009 0.000 0.311 77 A C -1.457 175.721 177.584 -0.677 0.000 1.224 77 A CA -0.506 50.958 52.037 -0.955 0.000 0.821 77 A CB 0.524 18.594 19.000 -1.551 0.000 1.172 77 A HN 0.574 nan 8.150 nan 0.000 0.494 78 L N 1.667 122.502 121.223 -0.647 0.000 2.331 78 L HA 0.478 4.812 4.340 -0.009 0.000 0.275 78 L C -0.096 176.467 176.870 -0.512 0.000 1.022 78 L CA -0.281 54.219 54.840 -0.567 0.000 0.812 78 L CB 1.626 43.317 42.059 -0.613 0.000 1.257 78 L HN 0.711 nan 8.230 nan 0.000 0.435 79 D N 2.063 122.205 120.400 -0.430 0.000 2.443 79 D HA 0.196 4.830 4.640 -0.009 0.000 0.221 79 D C 1.082 177.125 176.300 -0.427 0.000 1.097 79 D CA -0.141 53.647 54.000 -0.354 0.000 0.865 79 D CB 0.675 41.334 40.800 -0.236 0.000 1.034 79 D HN 0.426 nan 8.370 nan 0.000 0.511 80 L N 3.025 123.960 121.223 -0.480 0.000 2.189 80 L HA -0.177 4.157 4.340 -0.009 0.000 0.214 80 L C 1.537 178.065 176.870 -0.570 0.000 1.097 80 L CA 0.722 55.168 54.840 -0.656 0.000 0.764 80 L CB -0.255 41.241 42.059 -0.939 0.000 0.900 80 L HN 0.418 nan 8.230 nan 0.000 0.436 81 N N -0.463 118.061 118.700 -0.292 0.000 2.550 81 N HA -0.089 4.645 4.740 -0.009 0.000 0.186 81 N C 0.102 175.457 175.510 -0.258 0.000 1.110 81 N CA 0.803 53.772 53.050 -0.135 0.000 0.912 81 N CB 0.065 38.532 38.487 -0.034 0.000 0.968 81 N HN 0.261 nan 8.380 nan 0.000 0.448 82 D N -1.050 119.153 120.400 -0.328 0.000 3.117 82 D HA 0.095 4.729 4.640 -0.009 0.000 0.241 82 D C -2.263 173.876 176.300 -0.268 0.000 1.385 82 D CA -0.986 52.849 54.000 -0.275 0.000 0.855 82 D CB 0.729 41.486 40.800 -0.072 0.000 1.498 82 D HN -0.085 nan 8.370 nan 0.000 0.584 83 P HA 0.036 nan 4.420 nan 0.000 0.230 83 P C 1.408 178.462 177.300 -0.411 0.000 1.158 83 P CA 0.491 63.155 63.100 -0.726 0.000 0.769 83 P CB 0.222 30.902 31.700 -1.701 0.000 0.807 84 G N -1.358 107.374 108.800 -0.112 0.000 2.534 84 G HA2 -0.175 3.779 3.960 -0.009 0.000 0.217 84 G HA3 -0.175 3.779 3.960 -0.009 0.000 0.217 84 G C 0.481 175.396 174.900 0.025 0.000 1.128 84 G CA 0.081 45.161 45.100 -0.032 0.000 0.784 84 G HN 0.381 nan 8.290 nan 0.000 0.542 85 H N 0.078 119.087 119.070 -0.101 0.000 2.800 85 H HA 0.338 4.888 4.556 -0.009 0.000 0.291 85 H C -0.131 175.122 175.328 -0.125 0.000 1.076 85 H CA -0.911 55.090 56.048 -0.077 0.000 1.452 85 H CB 0.511 30.236 29.762 -0.063 0.000 1.461 85 H HN -0.025 nan 8.280 nan 0.000 0.488 86 I N 7.739 128.336 120.570 0.045 0.000 2.347 86 I HA -0.125 4.040 4.170 -0.009 0.000 0.294 86 I C 1.250 177.240 176.117 -0.211 0.000 1.090 86 I CA -0.088 61.150 61.300 -0.102 0.000 1.314 86 I CB 0.910 38.941 38.000 0.052 0.000 1.423 86 I HN 0.680 nan 8.210 nan 0.000 0.503 87 L N 7.191 128.234 121.223 -0.301 0.000 2.013 87 L HA -0.092 4.243 4.340 -0.009 0.000 0.212 87 L C 0.713 177.609 176.870 0.042 0.000 1.073 87 L CA 1.573 56.282 54.840 -0.219 0.000 0.753 87 L CB -0.346 41.584 42.059 -0.216 0.000 0.890 87 L HN 0.681 nan 8.230 nan 0.000 0.432 88 W N -2.413 118.880 121.300 -0.012 0.000 2.989 88 W HA 0.583 5.237 4.660 -0.009 0.000 0.344 88 W C -1.434 175.154 176.519 0.115 0.000 1.233 88 W CA -0.798 56.576 57.345 0.048 0.000 1.187 88 W CB 1.394 30.882 29.460 0.045 0.000 1.443 88 W HN -0.286 nan 8.180 nan 0.000 0.573 89 Q N 1.213 121.372 119.800 0.598 0.000 2.309 89 Q HA 0.261 4.596 4.340 -0.009 0.000 0.273 89 Q C -1.753 174.507 176.000 0.434 0.000 1.040 89 Q CA -0.503 55.561 55.803 0.436 0.000 0.834 89 Q CB 2.986 31.892 28.738 0.281 0.000 1.345 89 Q HN 0.568 nan 8.270 nan 0.000 0.414 90 H N 1.773 120.977 119.070 0.223 0.000 2.505 90 H HA 0.504 5.055 4.556 -0.009 0.000 0.338 90 H C -1.435 173.869 175.328 -0.041 0.000 1.057 90 H CA -0.419 55.687 56.048 0.096 0.000 1.202 90 H CB 1.520 31.360 29.762 0.131 0.000 1.466 90 H HN 0.548 nan 8.280 nan 0.000 0.499 91 S N 7.340 122.760 115.700 -0.467 0.000 2.653 91 S HA 0.256 4.721 4.470 -0.009 0.000 0.272 91 S C -2.536 171.767 174.600 -0.494 0.000 1.221 91 S CA -1.052 56.921 58.200 -0.377 0.000 1.149 91 S CB 1.332 64.418 63.200 -0.190 0.000 1.029 91 S HN 0.606 nan 8.310 nan 0.000 0.481 92 P HA 0.304 nan 4.420 nan 0.000 0.271 92 P C -0.900 176.251 177.300 -0.249 0.000 1.218 92 P CA -0.581 62.304 63.100 -0.360 0.000 0.780 92 P CB 0.464 32.031 31.700 -0.222 0.000 0.901 93 K N 2.025 122.319 120.400 -0.175 0.000 2.213 93 K HA 0.444 4.758 4.320 -0.009 0.000 0.270 93 K C -0.021 176.537 176.600 -0.071 0.000 1.002 93 K CA -0.353 55.863 56.287 -0.118 0.000 0.868 93 K CB 1.096 33.551 32.500 -0.076 0.000 1.093 93 K HN 0.359 nan 8.250 nan 0.000 0.454 94 Q N 0.876 120.649 119.800 -0.045 0.000 2.451 94 Q HA 0.231 4.565 4.340 -0.009 0.000 0.281 94 Q C -1.231 174.856 176.000 0.145 0.000 1.099 94 Q CA -1.248 54.599 55.803 0.074 0.000 0.806 94 Q CB 2.262 31.071 28.738 0.118 0.000 1.419 94 Q HN 0.544 nan 8.270 nan 0.000 0.427 95 D N 2.058 122.562 120.400 0.173 0.000 2.390 95 D HA 0.066 4.700 4.640 -0.009 0.000 0.249 95 D C -1.613 174.815 176.300 0.213 0.000 1.144 95 D CA -1.740 52.347 54.000 0.146 0.000 0.880 95 D CB 1.052 41.913 40.800 0.102 0.000 1.182 95 D HN 0.192 nan 8.370 nan 0.000 0.451 96 P HA 0.046 nan 4.420 nan 0.000 0.245 96 P C 0.643 177.968 177.300 0.041 0.000 1.212 96 P CA 0.225 63.444 63.100 0.200 0.000 0.774 96 P CB 0.188 31.992 31.700 0.173 0.000 0.999 97 A N 0.553 123.393 122.820 0.032 0.000 2.168 97 A HA 0.163 4.478 4.320 -0.009 0.000 0.215 97 A C 2.323 179.873 177.584 -0.056 0.000 1.152 97 A CA 1.095 53.125 52.037 -0.012 0.000 0.716 97 A CB -1.080 17.921 19.000 0.001 0.000 0.794 97 A HN 0.210 nan 8.150 nan 0.000 0.465 98 A N 0.628 123.414 122.820 -0.058 0.000 1.948 98 A HA -0.234 4.080 4.320 -0.009 0.000 0.220 98 A C 2.164 179.591 177.584 -0.262 0.000 1.177 98 A CA 1.680 53.643 52.037 -0.123 0.000 0.636 98 A CB -0.486 18.485 19.000 -0.048 0.000 0.815 98 A HN 0.580 nan 8.150 nan 0.000 0.449 99 R N 0.123 120.384 120.500 -0.398 0.000 2.139 99 R HA -0.133 4.201 4.340 -0.009 0.000 0.243 99 R C 2.365 178.569 176.300 -0.160 0.000 1.145 99 R CA 1.660 57.542 56.100 -0.364 0.000 0.976 99 R CB -0.383 29.723 30.300 -0.322 0.000 0.866 99 R HN 0.728 nan 8.270 nan 0.000 0.449 100 S N -0.157 115.483 115.700 -0.101 0.000 2.562 100 S HA -0.010 4.454 4.470 -0.009 0.000 0.221 100 S C 1.487 176.117 174.600 0.050 0.000 0.975 100 S CA 0.489 58.675 58.200 -0.024 0.000 0.918 100 S CB 0.360 63.552 63.200 -0.013 0.000 0.772 100 S HN 0.201 nan 8.310 nan 0.000 0.531 101 V N -2.011 117.879 119.914 -0.040 0.000 3.176 101 V HA 0.755 4.870 4.120 -0.009 0.000 0.332 101 V C 0.381 176.411 176.094 -0.107 0.000 1.414 101 V CA -0.464 61.759 62.300 -0.129 0.000 1.133 101 V CB -0.615 31.075 31.823 -0.222 0.000 1.088 101 V HN 0.511 nan 8.190 nan 0.000 0.473 102 A N 0.360 123.171 122.820 -0.015 0.000 2.252 102 A HA 0.516 4.831 4.320 -0.009 0.000 0.309 102 A C 1.295 178.903 177.584 0.040 0.000 1.285 102 A CA 0.220 52.235 52.037 -0.036 0.000 0.900 102 A CB 0.509 19.464 19.000 -0.074 0.000 1.157 102 A HN 0.967 nan 8.150 nan 0.000 0.536 103 C N 0.233 119.537 119.300 0.008 0.000 2.457 103 C HA 0.053 4.508 4.460 -0.009 0.000 0.278 103 C C 1.054 175.945 174.990 -0.165 0.000 1.309 103 C CA 0.676 59.715 59.018 0.036 0.000 1.735 103 C CB -1.534 26.177 27.740 -0.049 0.000 1.992 103 C HN 0.730 nan 8.230 nan 0.000 0.493 104 C N 1.930 121.133 119.300 -0.161 0.000 3.246 104 C HA 0.586 5.040 4.460 -0.009 0.000 0.204 104 C C -0.666 174.368 174.990 0.073 0.000 1.879 104 C CA -0.350 58.584 59.018 -0.139 0.000 1.318 104 C CB -2.206 25.335 27.740 -0.332 0.000 2.288 104 C HN 0.813 nan 8.230 nan 0.000 0.530 105 D N 0.149 120.650 120.400 0.169 0.000 10.617 105 D HA -0.135 4.500 4.640 -0.009 0.000 0.335 105 D C -0.280 176.115 176.300 0.159 0.000 3.150 105 D CA 0.068 54.249 54.000 0.303 0.000 2.701 105 D CB -0.113 40.879 40.800 0.320 0.000 1.251 105 D HN 0.370 nan 8.370 nan 0.000 0.951 106 L N 1.251 122.537 121.223 0.104 0.000 2.919 106 L HA 0.219 4.553 4.340 -0.009 0.000 0.242 106 L C 0.883 177.806 176.870 0.088 0.000 1.366 106 L CA -0.564 54.275 54.840 -0.002 0.000 1.212 106 L CB -1.118 40.823 42.059 -0.197 0.000 1.604 106 L HN 0.300 nan 8.230 nan 0.000 0.433 107 V N -3.042 116.949 119.914 0.129 0.000 3.170 107 V HA 0.505 4.619 4.120 -0.009 0.000 0.309 107 V C 0.003 176.204 176.094 0.180 0.000 1.071 107 V CA -0.697 61.701 62.300 0.164 0.000 1.063 107 V CB 1.866 33.826 31.823 0.227 0.000 1.123 107 V HN 0.454 nan 8.190 nan 0.000 0.464 108 N N 0.865 119.701 118.700 0.227 0.000 2.367 108 N HA 0.405 5.140 4.740 -0.009 0.000 0.278 108 N C -0.112 175.621 175.510 0.372 0.000 1.117 108 N CA -0.685 52.528 53.050 0.271 0.000 0.867 108 N CB 2.684 41.345 38.487 0.290 0.000 1.649 108 N HN 0.714 nan 8.380 nan 0.000 0.479 109 R N 1.162 121.817 120.500 0.257 0.000 2.334 109 R HA 0.313 4.648 4.340 -0.009 0.000 0.216 109 R C 0.739 177.150 176.300 0.185 0.000 0.905 109 R CA 0.300 56.562 56.100 0.269 0.000 1.064 109 R CB 0.314 30.600 30.300 -0.023 0.000 1.046 109 R HN 0.751 nan 8.270 nan 0.000 0.508 110 G N 0.185 108.905 108.800 -0.132 0.000 2.343 110 G HA2 -0.060 3.894 3.960 -0.009 0.000 0.465 110 G HA3 -0.060 3.894 3.960 -0.009 0.000 0.465 110 G C -1.431 173.388 174.900 -0.134 0.000 1.282 110 G CA -1.111 43.654 45.100 -0.559 0.000 0.996 110 G HN -0.015 nan 8.290 nan 0.000 0.521 111 L N 0.279 121.464 121.223 -0.063 0.000 2.334 111 L HA 0.806 5.141 4.340 -0.009 0.000 0.275 111 L C 0.892 177.864 176.870 0.170 0.000 1.036 111 L CA -0.499 54.386 54.840 0.075 0.000 0.807 111 L CB 1.599 43.709 42.059 0.086 0.000 1.231 111 L HN 1.163 nan 8.230 nan 0.000 0.438 112 A N 1.759 124.677 122.820 0.163 0.000 2.347 112 A HA 0.736 5.050 4.320 -0.009 0.000 0.301 112 A C -1.827 175.873 177.584 0.194 0.000 1.163 112 A CA -0.423 51.728 52.037 0.190 0.000 0.860 112 A CB 1.576 20.686 19.000 0.183 0.000 1.367 112 A HN 0.663 nan 8.150 nan 0.000 0.461 113 Y N -1.202 119.117 120.300 0.032 0.000 2.433 113 Y HA 0.506 5.051 4.550 -0.010 0.000 0.337 113 Y C -1.771 174.187 175.900 0.097 0.000 1.026 113 Y CA -0.691 57.420 58.100 0.019 0.000 1.037 113 Y CB 1.562 40.014 38.460 -0.013 0.000 1.245 113 Y HN 0.826 nan 8.280 nan 0.000 0.443 114 W N 10.502 131.392 121.300 -0.683 0.000 2.361 114 W HA 0.608 5.263 4.660 -0.010 0.000 0.314 114 W C -2.945 173.000 176.519 -0.956 0.000 1.041 114 W CA -2.799 54.178 57.345 -0.613 0.000 1.241 114 W CB 1.512 30.780 29.460 -0.319 0.000 1.279 114 W HN 0.367 nan 8.180 nan 0.000 0.436 115 P HA 0.209 nan 4.420 nan 0.000 0.282 115 P C 0.415 177.020 177.300 -1.159 0.000 1.262 115 P CA 0.137 62.659 63.100 -0.963 0.000 0.773 115 P CB 1.037 32.430 31.700 -0.511 0.000 0.879 116 G N 3.019 111.371 108.800 -0.745 0.000 2.611 116 G HA2 0.359 4.313 3.960 -0.009 0.000 0.273 116 G HA3 0.359 4.313 3.960 -0.009 0.000 0.273 116 G C -0.284 174.333 174.900 -0.473 0.000 1.305 116 G CA -0.379 44.299 45.100 -0.703 0.000 1.010 116 G HN 0.517 nan 8.290 nan 0.000 0.509 117 D N -2.610 117.683 120.400 -0.179 0.000 2.636 117 D HA 0.245 4.879 4.640 -0.009 0.000 0.236 117 D C 0.805 177.099 176.300 -0.009 0.000 1.176 117 D CA -0.022 53.939 54.000 -0.065 0.000 1.081 117 D CB 0.361 41.176 40.800 0.024 0.000 1.213 117 D HN 0.342 nan 8.370 nan 0.000 0.633 118 D N -0.967 119.444 120.400 0.018 0.000 2.301 118 D HA -0.027 4.607 4.640 -0.009 0.000 0.206 118 D C 1.436 177.761 176.300 0.042 0.000 0.979 118 D CA 0.298 54.311 54.000 0.022 0.000 0.874 118 D CB 0.172 40.983 40.800 0.018 0.000 0.968 118 D HN 0.177 nan 8.370 nan 0.000 0.510 119 K N 0.415 120.853 120.400 0.064 0.000 2.167 119 K HA 0.030 4.344 4.320 -0.009 0.000 0.203 119 K C 0.005 176.669 176.600 0.106 0.000 1.052 119 K CA 0.857 57.193 56.287 0.082 0.000 0.956 119 K CB 0.384 32.942 32.500 0.098 0.000 0.735 119 K HN 0.070 nan 8.250 nan 0.000 0.451 120 T N 1.783 116.409 114.554 0.121 0.000 2.916 120 T HA 0.344 4.689 4.350 -0.009 0.000 0.298 120 T C -2.826 171.916 174.700 0.071 0.000 1.031 120 T CA -1.889 60.294 62.100 0.137 0.000 0.993 120 T CB 2.067 71.093 68.868 0.263 0.000 1.045 120 T HN -0.133 nan 8.240 nan 0.000 0.454 121 P HA 0.302 nan 4.420 nan 0.000 0.274 121 P C -0.171 177.085 177.300 -0.073 0.000 1.237 121 P CA -0.395 62.650 63.100 -0.092 0.000 0.793 121 P CB 0.475 32.071 31.700 -0.173 0.000 0.977 122 S N 0.352 116.007 115.700 -0.074 0.000 2.584 122 S HA 0.296 4.760 4.470 -0.009 0.000 0.270 122 S C 0.181 174.719 174.600 -0.103 0.000 1.346 122 S CA -0.098 58.029 58.200 -0.121 0.000 1.018 122 S CB -0.268 62.903 63.200 -0.049 0.000 0.899 122 S HN 0.261 nan 8.310 nan 0.000 0.542 123 L N 2.599 123.746 121.223 -0.126 0.000 2.431 123 L HA 0.523 4.857 4.340 -0.009 0.000 0.266 123 L C -0.920 175.893 176.870 -0.095 0.000 0.978 123 L CA -0.734 54.001 54.840 -0.175 0.000 0.822 123 L CB 1.557 43.472 42.059 -0.240 0.000 1.310 123 L HN 0.423 nan 8.230 nan 0.000 0.409 124 I N 4.156 124.666 120.570 -0.099 0.000 2.331 124 I HA 0.334 4.498 4.170 -0.009 0.000 0.292 124 I C -0.079 175.962 176.117 -0.126 0.000 0.998 124 I CA -0.353 60.910 61.300 -0.060 0.000 1.267 124 I CB 1.700 39.645 38.000 -0.091 0.000 1.386 124 I HN 0.319 nan 8.210 nan 0.000 0.476 125 I N 7.263 127.793 120.570 -0.066 0.000 2.354 125 I HA 0.367 4.532 4.170 -0.009 0.000 0.292 125 I C 0.189 176.301 176.117 -0.008 0.000 0.989 125 I CA -0.594 60.648 61.300 -0.097 0.000 1.188 125 I CB 1.390 39.377 38.000 -0.023 0.000 1.342 125 I HN 0.569 nan 8.210 nan 0.000 0.457 126 K N 3.549 123.936 120.400 -0.022 0.000 2.482 126 K HA 0.782 5.096 4.320 -0.009 0.000 0.257 126 K C -0.749 175.898 176.600 0.079 0.000 0.969 126 K CA -0.710 55.608 56.287 0.052 0.000 0.842 126 K CB 2.274 34.815 32.500 0.069 0.000 1.359 126 K HN 0.544 nan 8.250 nan 0.000 0.441 127 T N -1.010 113.616 114.554 0.119 0.000 2.950 127 T HA 0.410 4.754 4.350 -0.009 0.000 0.288 127 T C -0.438 174.355 174.700 0.155 0.000 1.035 127 T CA -0.840 61.344 62.100 0.141 0.000 1.028 127 T CB 1.532 70.490 68.868 0.149 0.000 1.109 127 T HN 0.619 nan 8.240 nan 0.000 0.514 128 Q N 0.470 120.374 119.800 0.173 0.000 2.394 128 Q HA 0.416 4.750 4.340 -0.009 0.000 0.273 128 Q C 0.487 176.610 176.000 0.206 0.000 1.089 128 Q CA -0.930 54.987 55.803 0.190 0.000 0.812 128 Q CB 2.597 31.458 28.738 0.206 0.000 1.353 128 Q HN 0.602 nan 8.270 nan 0.000 0.438 129 L N 2.247 123.629 121.223 0.264 0.000 2.187 129 L HA -0.199 4.135 4.340 -0.009 0.000 0.213 129 L C 1.339 178.315 176.870 0.176 0.000 1.100 129 L CA 2.215 57.196 54.840 0.235 0.000 0.765 129 L CB -0.144 42.096 42.059 0.302 0.000 0.904 129 L HN 0.764 nan 8.230 nan 0.000 0.437 130 D N -1.681 118.854 120.400 0.225 0.000 2.336 130 D HA 0.149 4.783 4.640 -0.009 0.000 0.229 130 D C 1.562 177.871 176.300 0.014 0.000 1.061 130 D CA 0.728 54.819 54.000 0.152 0.000 0.875 130 D CB -0.070 40.876 40.800 0.244 0.000 0.904 130 D HN 0.377 nan 8.370 nan 0.000 0.525 131 G N -0.580 108.235 108.800 0.025 0.000 2.231 131 G HA2 -0.214 3.740 3.960 -0.009 0.000 0.206 131 G HA3 -0.214 3.740 3.960 -0.009 0.000 0.206 131 G C -0.113 174.746 174.900 -0.068 0.000 0.996 131 G CA -0.316 44.753 45.100 -0.052 0.000 0.645 131 G HN 0.549 nan 8.290 nan 0.000 0.498 132 H N -0.442 118.675 119.070 0.078 0.000 2.562 132 H HA 0.626 5.177 4.556 -0.009 0.000 0.352 132 H C -0.015 175.355 175.328 0.070 0.000 1.125 132 H CA -0.195 55.890 56.048 0.060 0.000 1.379 132 H CB 1.800 31.595 29.762 0.055 0.000 1.464 132 H HN 0.258 nan 8.280 nan 0.000 0.563 133 L N 3.425 124.762 121.223 0.190 0.000 2.296 133 L HA 0.445 4.779 4.340 -0.009 0.000 0.286 133 L C -1.257 175.710 176.870 0.161 0.000 1.023 133 L CA -0.436 54.499 54.840 0.158 0.000 0.812 133 L CB 1.081 43.222 42.059 0.138 0.000 1.223 133 L HN 0.431 nan 8.230 nan 0.000 0.421 134 V N 4.319 124.231 119.914 -0.003 0.000 2.680 134 V HA 0.846 4.960 4.120 -0.009 0.000 0.309 134 V C -0.133 175.648 176.094 -0.521 0.000 1.052 134 V CA -0.541 61.662 62.300 -0.162 0.000 0.908 134 V CB 1.758 33.536 31.823 -0.076 0.000 1.001 134 V HN 0.930 nan 8.190 nan 0.000 0.431 135 A N 5.658 127.891 122.820 -0.978 0.000 2.288 135 A HA 0.877 5.192 4.320 -0.009 0.000 0.320 135 A C -0.904 176.327 177.584 -0.588 0.000 1.217 135 A CA -0.455 50.968 52.037 -1.024 0.000 0.840 135 A CB 0.550 18.412 19.000 -1.896 0.000 1.179 135 A HN 0.772 nan 8.150 nan 0.000 0.504 136 L N 2.497 123.453 121.223 -0.445 0.000 2.329 136 L HA 0.372 4.707 4.340 -0.009 0.000 0.279 136 L C 0.490 177.141 176.870 -0.365 0.000 1.014 136 L CA -1.039 53.554 54.840 -0.412 0.000 0.814 136 L CB 1.441 43.238 42.059 -0.436 0.000 1.257 136 L HN 0.794 nan 8.230 nan 0.000 0.424 137 N N 1.910 120.396 118.700 -0.357 0.000 2.411 137 N HA -0.020 4.714 4.740 -0.009 0.000 0.265 137 N C 0.596 175.928 175.510 -0.296 0.000 1.266 137 N CA 0.361 53.220 53.050 -0.318 0.000 0.889 137 N CB 1.686 40.016 38.487 -0.261 0.000 1.069 137 N HN 0.818 nan 8.380 nan 0.000 0.476 138 A N 4.708 127.475 122.820 -0.089 0.000 2.206 138 A HA -0.006 4.308 4.320 -0.009 0.000 0.211 138 A C 1.650 179.483 177.584 0.416 0.000 1.158 138 A CA 0.747 52.889 52.037 0.174 0.000 0.761 138 A CB 0.087 19.233 19.000 0.243 0.000 0.801 138 A HN 0.632 nan 8.150 nan 0.000 0.473 139 K N -0.810 119.688 120.400 0.164 0.000 2.354 139 K HA 0.046 4.361 4.320 -0.009 0.000 0.194 139 K C 1.442 178.056 176.600 0.023 0.000 1.038 139 K CA 1.428 57.856 56.287 0.236 0.000 1.052 139 K CB 0.382 32.958 32.500 0.126 0.000 0.861 139 K HN 0.645 nan 8.250 nan 0.000 0.535 140 T N -4.857 109.437 114.554 -0.433 0.000 2.966 140 T HA 0.196 4.540 4.350 -0.009 0.000 0.254 140 T C 1.316 175.338 174.700 -1.129 0.000 0.961 140 T CA 0.767 62.549 62.100 -0.531 0.000 0.915 140 T CB 0.643 69.359 68.868 -0.254 0.000 1.186 140 T HN 0.156 nan 8.240 nan 0.000 0.505 141 G N 2.298 110.059 108.800 -1.732 0.000 2.143 141 G HA2 -0.263 3.691 3.960 -0.009 0.000 0.249 141 G HA3 -0.263 3.691 3.960 -0.009 0.000 0.249 141 G C -0.147 174.288 174.900 -0.774 0.000 0.981 141 G CA 0.386 44.330 45.100 -1.927 0.000 0.665 141 G HN 1.087 nan 8.290 nan 0.000 0.528 142 E N 1.114 121.002 120.200 -0.521 0.000 2.313 142 E HA 0.337 4.681 4.350 -0.009 0.000 0.276 142 E C 0.101 176.535 176.600 -0.278 0.000 1.031 142 E CA -0.641 55.591 56.400 -0.280 0.000 0.857 142 E CB 0.549 30.148 29.700 -0.169 0.000 1.040 142 E HN 0.385 nan 8.360 nan 0.000 0.408 143 E N 3.163 123.227 120.200 -0.226 0.000 2.652 143 E HA -0.130 4.214 4.350 -0.009 0.000 0.255 143 E C -0.217 176.332 176.600 -0.084 0.000 0.952 143 E CA 0.424 56.708 56.400 -0.194 0.000 0.947 143 E CB 0.272 29.904 29.700 -0.114 0.000 0.912 143 E HN 0.559 nan 8.360 nan 0.000 0.489 144 F N 4.422 124.196 119.950 -0.293 0.000 2.419 144 F HA 0.131 4.652 4.527 -0.009 0.000 0.283 144 F C 0.310 176.055 175.800 -0.092 0.000 1.044 144 F CA 0.505 58.367 58.000 -0.230 0.000 1.376 144 F CB 0.596 39.387 39.000 -0.348 0.000 1.131 144 F HN 0.573 nan 8.300 nan 0.000 0.585 145 W N 0.110 121.360 121.300 -0.084 0.000 3.005 145 W HA 0.458 5.113 4.660 -0.010 0.000 0.343 145 W C -1.707 174.735 176.519 -0.130 0.000 1.243 145 W CA -1.078 56.164 57.345 -0.171 0.000 1.186 145 W CB 0.798 30.129 29.460 -0.215 0.000 1.453 145 W HN -0.279 nan 8.180 nan 0.000 0.575 146 K N 2.180 122.787 120.400 0.345 0.000 2.656 146 K HA 0.420 4.734 4.320 -0.009 0.000 0.253 146 K C -1.438 175.260 176.600 0.164 0.000 1.002 146 K CA -0.364 56.055 56.287 0.220 0.000 0.880 146 K CB 2.205 34.714 32.500 0.016 0.000 1.232 146 K HN 0.510 nan 8.250 nan 0.000 0.456 147 V N 0.344 120.337 119.914 0.131 0.000 2.667 147 V HA 0.532 4.647 4.120 -0.009 0.000 0.308 147 V C -0.212 175.913 176.094 0.052 0.000 1.048 147 V CA -0.900 61.350 62.300 -0.084 0.000 0.928 147 V CB 1.550 33.010 31.823 -0.606 0.000 1.004 147 V HN 0.724 nan 8.190 nan 0.000 0.444 148 E N 2.510 122.741 120.200 0.051 0.000 2.290 148 E HA 0.278 4.622 4.350 -0.009 0.000 0.277 148 E C -0.476 176.104 176.600 -0.033 0.000 1.035 148 E CA 0.229 56.606 56.400 -0.039 0.000 0.873 148 E CB 0.678 30.347 29.700 -0.051 0.000 1.029 148 E HN 0.824 nan 8.360 nan 0.000 0.419 149 N N 1.959 120.629 118.700 -0.050 0.000 2.595 149 N HA 0.251 4.986 4.740 -0.009 0.000 0.291 149 N C -1.492 174.039 175.510 0.035 0.000 1.706 149 N CA -0.193 52.882 53.050 0.042 0.000 0.867 149 N CB 1.077 39.653 38.487 0.148 0.000 1.414 149 N HN 0.560 nan 8.380 nan 0.000 0.492 150 G N 0.712 109.485 108.800 -0.045 0.000 2.146 150 G HA2 0.129 4.084 3.960 -0.009 0.000 0.261 150 G HA3 0.129 4.084 3.960 -0.009 0.000 0.261 150 G C -2.328 172.529 174.900 -0.071 0.000 1.745 150 G CA -0.917 44.177 45.100 -0.010 0.000 0.905 150 G HN 0.117 nan 8.290 nan 0.000 0.746 151 D N 2.192 122.564 120.400 -0.047 0.000 2.349 151 D HA 0.343 4.977 4.640 -0.009 0.000 0.232 151 D C 1.922 178.197 176.300 -0.041 0.000 1.071 151 D CA -0.836 53.131 54.000 -0.055 0.000 0.832 151 D CB 1.215 41.987 40.800 -0.046 0.000 1.086 151 D HN 0.576 nan 8.370 nan 0.000 0.504 152 I N 0.989 121.533 120.570 -0.044 0.000 2.850 152 I HA -0.094 4.070 4.170 -0.009 0.000 0.266 152 I C 1.256 177.334 176.117 -0.064 0.000 1.257 152 I CA 0.686 61.955 61.300 -0.052 0.000 1.465 152 I CB 0.007 37.982 38.000 -0.041 0.000 1.091 152 I HN 0.123 nan 8.210 nan 0.000 0.467 153 K N 1.269 121.637 120.400 -0.054 0.000 2.305 153 K HA 0.070 4.385 4.320 -0.009 0.000 0.199 153 K C 1.521 178.076 176.600 -0.075 0.000 1.047 153 K CA 1.202 57.452 56.287 -0.062 0.000 0.976 153 K CB 0.240 32.711 32.500 -0.048 0.000 0.765 153 K HN 0.506 nan 8.250 nan 0.000 0.474 154 V N -2.863 117.016 119.914 -0.059 0.000 3.249 154 V HA 0.425 4.540 4.120 -0.009 0.000 0.338 154 V C 0.709 176.774 176.094 -0.048 0.000 1.363 154 V CA 0.115 62.386 62.300 -0.047 0.000 1.205 154 V CB -0.304 31.512 31.823 -0.012 0.000 1.164 154 V HN 0.344 nan 8.190 nan 0.000 0.458 155 G N 0.153 108.894 108.800 -0.097 0.000 2.143 155 G HA2 -0.244 3.710 3.960 -0.009 0.000 0.249 155 G HA3 -0.244 3.710 3.960 -0.009 0.000 0.249 155 G C -0.022 174.818 174.900 -0.101 0.000 0.981 155 G CA 0.519 45.533 45.100 -0.144 0.000 0.665 155 G HN 0.714 nan 8.290 nan 0.000 0.528 156 Q N -0.044 119.730 119.800 -0.043 0.000 2.248 156 Q HA 0.760 5.095 4.340 -0.009 0.000 0.263 156 Q C 0.312 176.309 176.000 -0.006 0.000 1.007 156 Q CA -0.062 55.745 55.803 0.007 0.000 0.877 156 Q CB 2.090 30.875 28.738 0.078 0.000 1.315 156 Q HN 0.637 nan 8.270 nan 0.000 0.454 157 T N -2.187 112.377 114.554 0.017 0.000 2.711 157 T HA 0.637 4.981 4.350 -0.009 0.000 0.302 157 T C -1.298 173.436 174.700 0.057 0.000 1.373 157 T CA -0.896 61.216 62.100 0.020 0.000 1.000 157 T CB 0.678 69.534 68.868 -0.020 0.000 1.483 157 T HN 0.416 nan 8.240 nan 0.000 0.499 158 L N 1.534 122.803 121.223 0.077 0.000 2.406 158 L HA 0.595 4.929 4.340 -0.009 0.000 0.272 158 L C 0.854 177.791 176.870 0.112 0.000 0.980 158 L CA -0.678 54.225 54.840 0.105 0.000 0.831 158 L CB 2.505 44.642 42.059 0.129 0.000 1.253 158 L HN 1.185 nan 8.230 nan 0.000 0.406 159 T N -2.343 112.280 114.554 0.114 0.000 2.954 159 T HA 0.067 4.411 4.350 -0.009 0.000 0.252 159 T C 0.469 175.254 174.700 0.142 0.000 0.983 159 T CA -0.329 61.849 62.100 0.131 0.000 0.941 159 T CB 0.243 69.172 68.868 0.102 0.000 1.141 159 T HN 0.580 nan 8.240 nan 0.000 0.500 160 Q N 1.656 121.535 119.800 0.132 0.000 2.417 160 Q HA 0.655 4.989 4.340 -0.009 0.000 0.241 160 Q C 0.044 176.099 176.000 0.091 0.000 1.008 160 Q CA -0.736 55.096 55.803 0.048 0.000 0.901 160 Q CB 0.578 29.313 28.738 -0.005 0.000 1.259 160 Q HN 0.298 nan 8.270 nan 0.000 0.489 161 A N 2.634 125.494 122.820 0.066 0.000 2.511 161 A HA 0.350 4.665 4.320 -0.009 0.000 0.242 161 A C -2.064 175.695 177.584 0.292 0.000 1.069 161 A CA -0.970 51.182 52.037 0.193 0.000 0.763 161 A CB -0.394 18.787 19.000 0.302 0.000 1.001 161 A HN 0.732 nan 8.150 nan 0.000 0.498 162 P HA 0.447 nan 4.420 nan 0.000 0.306 162 P C -1.143 176.401 177.300 0.407 0.000 1.309 162 P CA -0.282 63.004 63.100 0.308 0.000 0.759 162 P CB 0.581 32.407 31.700 0.209 0.000 1.314 163 Y N -1.562 118.788 120.300 0.083 0.000 2.479 163 Y HA 0.399 4.943 4.550 -0.010 0.000 0.338 163 Y C -1.150 174.770 175.900 0.033 0.000 1.055 163 Y CA -0.974 57.169 58.100 0.072 0.000 1.023 163 Y CB 1.923 40.323 38.460 -0.099 0.000 1.287 163 Y HN -0.060 nan 8.280 nan 0.000 0.447 164 V N 6.501 126.348 119.914 -0.112 0.000 2.370 164 V HA 0.493 4.607 4.120 -0.009 0.000 0.279 164 V C -0.798 175.241 176.094 -0.092 0.000 1.029 164 V CA -0.579 61.700 62.300 -0.034 0.000 0.870 164 V CB 1.127 33.002 31.823 0.086 0.000 0.984 164 V HN 0.507 nan 8.190 nan 0.000 0.451 165 V N 5.038 124.893 119.914 -0.098 0.000 2.588 165 V HA 0.565 4.679 4.120 -0.009 0.000 0.304 165 V C 0.218 176.251 176.094 -0.101 0.000 1.042 165 V CA -0.483 61.632 62.300 -0.309 0.000 0.877 165 V CB 0.992 32.408 31.823 -0.678 0.000 0.996 165 V HN 1.113 nan 8.190 nan 0.000 0.425 166 H N 2.153 121.229 119.070 0.010 0.000 1.452 166 H HA -0.213 4.337 4.556 -0.010 0.000 0.090 166 H C -0.226 175.249 175.328 0.245 0.000 0.789 166 H CA 0.824 56.938 56.048 0.109 0.000 1.901 166 H CB -0.369 29.434 29.762 0.070 0.000 2.257 166 H HN 0.728 nan 8.280 nan 0.000 0.961 167 D N 1.731 122.352 120.400 0.368 0.000 2.722 167 D HA 0.304 4.938 4.640 -0.009 0.000 0.239 167 D C -0.393 175.904 176.300 -0.005 0.000 1.249 167 D CA 0.310 54.446 54.000 0.227 0.000 0.830 167 D CB -0.019 40.892 40.800 0.186 0.000 1.025 167 D HN 0.128 nan 8.370 nan 0.000 0.486 168 L N 0.499 121.750 121.223 0.046 0.000 2.362 168 L HA 0.698 5.033 4.340 -0.009 0.000 0.271 168 L C -0.252 176.606 176.870 -0.021 0.000 1.002 168 L CA -1.087 53.737 54.840 -0.026 0.000 0.818 168 L CB 2.128 44.178 42.059 -0.016 0.000 1.298 168 L HN -0.100 nan 8.230 nan 0.000 0.420 169 A N 4.519 127.335 122.820 -0.006 0.000 2.287 169 A HA 0.744 5.058 4.320 -0.009 0.000 0.317 169 A C -0.712 176.872 177.584 -0.000 0.000 1.220 169 A CA -0.491 51.584 52.037 0.062 0.000 0.835 169 A CB 0.692 19.819 19.000 0.212 0.000 1.180 169 A HN 0.441 nan 8.150 nan 0.000 0.500 170 I N 2.615 123.156 120.570 -0.048 0.000 2.412 170 I HA 0.603 4.768 4.170 -0.009 0.000 0.296 170 I C -0.084 175.998 176.117 -0.059 0.000 0.987 170 I CA -0.828 60.363 61.300 -0.182 0.000 1.180 170 I CB 1.099 38.903 38.000 -0.326 0.000 1.340 170 I HN 0.371 nan 8.210 nan 0.000 0.455 171 V N 4.836 124.739 119.914 -0.018 0.000 2.888 171 V HA 0.901 5.015 4.120 -0.009 0.000 0.309 171 V C 0.018 176.171 176.094 0.099 0.000 1.114 171 V CA -0.145 62.225 62.300 0.116 0.000 0.940 171 V CB 2.053 33.985 31.823 0.183 0.000 1.021 171 V HN 0.927 nan 8.190 nan 0.000 0.426 172 G N 3.441 112.316 108.800 0.126 0.000 3.019 172 G HA2 0.816 4.771 3.960 -0.009 0.000 0.152 172 G HA3 0.816 4.771 3.960 -0.009 0.000 0.152 172 G C -0.345 174.507 174.900 -0.080 0.000 1.320 172 G CA 0.066 45.176 45.100 0.018 0.000 1.013 172 G HN 1.607 nan 8.290 nan 0.000 0.593 173 S N -1.919 113.714 115.700 -0.111 0.000 2.537 173 S HA 0.723 5.187 4.470 -0.009 0.000 0.271 173 S C -1.048 173.581 174.600 0.048 0.000 1.148 173 S CA -0.648 57.433 58.200 -0.198 0.000 0.868 173 S CB 1.747 64.434 63.200 -0.855 0.000 1.115 173 S HN 0.679 nan 8.310 nan 0.000 0.461 174 S N -0.121 115.607 115.700 0.047 0.000 2.599 174 S HA 0.924 5.388 4.470 -0.009 0.000 0.294 174 S C 0.594 175.194 174.600 -0.001 0.000 1.094 174 S CA -0.154 58.051 58.200 0.010 0.000 0.931 174 S CB 1.462 64.625 63.200 -0.063 0.000 1.093 174 S HN 2.229 nan 8.310 nan 0.000 0.488 175 G N 0.107 108.879 108.800 -0.047 0.000 2.147 175 G HA2 -0.004 3.950 3.960 -0.009 0.000 0.128 175 G HA3 -0.004 3.950 3.960 -0.009 0.000 0.128 175 G C 0.706 175.642 174.900 0.060 0.000 1.026 175 G CA 0.240 45.320 45.100 -0.033 0.000 0.693 175 G HN 0.952 nan 8.290 nan 0.000 0.499 176 A N 0.203 123.099 122.820 0.126 0.000 1.978 176 A HA 0.093 4.408 4.320 -0.009 0.000 0.220 176 A C 1.947 179.694 177.584 0.272 0.000 1.170 176 A CA 2.304 54.480 52.037 0.232 0.000 0.636 176 A CB -0.243 18.936 19.000 0.297 0.000 0.810 176 A HN 0.465 nan 8.150 nan 0.000 0.448 177 E N -0.793 119.538 120.200 0.218 0.000 2.401 177 E HA -0.037 4.308 4.350 -0.009 0.000 0.199 177 E C 0.476 177.139 176.600 0.104 0.000 1.023 177 E CA 0.605 57.121 56.400 0.194 0.000 0.859 177 E CB -0.172 29.613 29.700 0.142 0.000 0.780 177 E HN 0.577 nan 8.360 nan 0.000 0.523 178 L N -1.409 119.838 121.223 0.040 0.000 3.110 178 L HA 0.392 4.726 4.340 -0.009 0.000 0.266 178 L C 1.112 178.118 176.870 0.226 0.000 1.257 178 L CA 0.181 55.020 54.840 -0.003 0.000 1.038 178 L CB 0.517 42.398 42.059 -0.297 0.000 1.395 178 L HN 0.081 nan 8.230 nan 0.000 0.566 179 G N -0.422 108.615 108.800 0.395 0.000 2.153 179 G HA2 -0.253 3.701 3.960 -0.009 0.000 0.252 179 G HA3 -0.253 3.701 3.960 -0.009 0.000 0.252 179 G C 0.279 175.262 174.900 0.138 0.000 0.994 179 G CA 0.240 45.539 45.100 0.332 0.000 0.698 179 G HN 0.176 nan 8.290 nan 0.000 0.521 180 V N 0.824 120.832 119.914 0.158 0.000 2.614 180 V HA 0.360 4.475 4.120 -0.009 0.000 0.291 180 V C 1.180 177.373 176.094 0.165 0.000 1.049 180 V CA -0.150 62.235 62.300 0.142 0.000 1.038 180 V CB 1.421 33.334 31.823 0.149 0.000 0.980 180 V HN 0.532 nan 8.190 nan 0.000 0.481 181 R N 3.750 124.350 120.500 0.167 0.000 2.234 181 R HA 0.465 4.799 4.340 -0.009 0.000 0.324 181 R C 0.399 176.899 176.300 0.334 0.000 1.054 181 R CA -0.257 55.971 56.100 0.213 0.000 0.912 181 R CB 0.753 31.144 30.300 0.152 0.000 1.030 181 R HN 0.884 nan 8.270 nan 0.000 0.455 182 G N 3.343 112.312 108.800 0.282 0.000 2.441 182 G HA2 0.207 4.161 3.960 -0.009 0.000 0.243 182 G HA3 0.207 4.161 3.960 -0.009 0.000 0.243 182 G C -0.918 174.129 174.900 0.245 0.000 1.281 182 G CA -0.319 44.893 45.100 0.187 0.000 0.854 182 G HN 0.891 nan 8.290 nan 0.000 0.560 183 H N -1.661 117.467 119.070 0.098 0.000 2.851 183 H HA 0.699 5.249 4.556 -0.009 0.000 0.372 183 H C -1.420 173.856 175.328 -0.086 0.000 1.158 183 H CA -1.367 54.598 56.048 -0.138 0.000 1.159 183 H CB 2.103 31.739 29.762 -0.209 0.000 1.757 183 H HN 0.524 nan 8.280 nan 0.000 0.546 184 V N 2.497 122.406 119.914 -0.009 0.000 2.686 184 V HA 0.673 4.788 4.120 -0.009 0.000 0.306 184 V C -1.122 174.939 176.094 -0.055 0.000 1.065 184 V CA -0.103 62.197 62.300 0.000 0.000 0.894 184 V CB 2.097 33.916 31.823 -0.006 0.000 1.004 184 V HN 1.139 nan 8.190 nan 0.000 0.424 185 T N 5.383 119.790 114.554 -0.246 0.000 2.900 185 T HA 0.814 5.158 4.350 -0.009 0.000 0.295 185 T C -0.491 173.667 174.700 -0.904 0.000 1.044 185 T CA -0.174 61.548 62.100 -0.629 0.000 0.995 185 T CB 1.763 70.303 68.868 -0.548 0.000 1.072 185 T HN 1.156 nan 8.240 nan 0.000 0.473 186 A N 2.249 124.185 122.820 -1.472 0.000 2.287 186 A HA 0.770 5.084 4.320 -0.009 0.000 0.317 186 A C -1.389 175.644 177.584 -0.918 0.000 1.220 186 A CA -0.608 50.713 52.037 -1.192 0.000 0.835 186 A CB 0.261 18.218 19.000 -1.739 0.000 1.180 186 A HN 0.784 nan 8.150 nan 0.000 0.500 187 Y N 1.284 121.325 120.300 -0.432 0.000 2.487 187 Y HA 0.384 4.929 4.550 -0.009 0.000 0.337 187 Y C 0.678 176.380 175.900 -0.331 0.000 1.076 187 Y CA -0.798 57.061 58.100 -0.403 0.000 1.115 187 Y CB 1.382 39.560 38.460 -0.470 0.000 1.235 187 Y HN 0.697 nan 8.280 nan 0.000 0.468 188 N N 1.357 119.949 118.700 -0.180 0.000 2.422 188 N HA 0.079 4.814 4.740 -0.009 0.000 0.264 188 N C 0.668 176.061 175.510 -0.194 0.000 1.063 188 N CA -0.022 52.924 53.050 -0.173 0.000 0.959 188 N CB 1.686 40.077 38.487 -0.162 0.000 1.087 188 N HN 0.682 nan 8.380 nan 0.000 0.483 189 V N 2.726 122.538 119.914 -0.171 0.000 2.970 189 V HA 0.029 4.144 4.120 -0.009 0.000 0.260 189 V C 1.890 177.964 176.094 -0.033 0.000 1.100 189 V CA 1.043 63.309 62.300 -0.056 0.000 1.122 189 V CB -0.379 31.126 31.823 -0.529 0.000 0.721 189 V HN 0.535 nan 8.190 nan 0.000 0.483 190 R N 1.119 121.517 120.500 -0.170 0.000 2.112 190 R HA 0.035 4.369 4.340 -0.009 0.000 0.216 190 R C 2.413 178.748 176.300 0.059 0.000 1.080 190 R CA 1.629 57.719 56.100 -0.018 0.000 0.996 190 R CB -0.238 30.028 30.300 -0.057 0.000 0.902 190 R HN 0.763 nan 8.270 nan 0.000 0.449 191 T N -4.540 109.953 114.554 -0.102 0.000 2.990 191 T HA 0.195 4.539 4.350 -0.009 0.000 0.249 191 T C 1.378 175.853 174.700 -0.376 0.000 1.039 191 T CA 0.594 62.590 62.100 -0.174 0.000 1.036 191 T CB 1.029 69.809 68.868 -0.146 0.000 0.994 191 T HN 0.316 nan 8.240 nan 0.000 0.489 192 G N 1.189 109.577 108.800 -0.686 0.000 2.162 192 G HA2 -0.248 3.706 3.960 -0.009 0.000 0.260 192 G HA3 -0.248 3.706 3.960 -0.009 0.000 0.260 192 G C -0.195 174.336 174.900 -0.615 0.000 0.976 192 G CA 0.285 44.658 45.100 -1.212 0.000 0.655 192 G HN 0.737 nan 8.290 nan 0.000 0.533 193 E N 0.285 120.273 120.200 -0.353 0.000 2.283 193 E HA 0.370 4.715 4.350 -0.009 0.000 0.278 193 E C 0.560 177.077 176.600 -0.138 0.000 1.027 193 E CA -0.523 55.764 56.400 -0.190 0.000 0.843 193 E CB 0.446 30.047 29.700 -0.165 0.000 1.062 193 E HN 0.403 nan 8.360 nan 0.000 0.401 194 Q N 2.404 122.120 119.800 -0.139 0.000 2.289 194 Q HA 0.097 4.432 4.340 -0.009 0.000 0.273 194 Q C -0.069 175.740 176.000 -0.319 0.000 1.029 194 Q CA 0.087 55.660 55.803 -0.384 0.000 0.896 194 Q CB 1.073 29.583 28.738 -0.379 0.000 1.182 194 Q HN 0.686 nan 8.270 nan 0.000 0.385 195 A N 6.011 128.590 122.820 -0.403 0.000 1.973 195 A HA 0.183 4.498 4.320 -0.009 0.000 0.210 195 A C -0.393 177.133 177.584 -0.096 0.000 1.200 195 A CA 0.356 52.260 52.037 -0.222 0.000 0.707 195 A CB 0.348 19.246 19.000 -0.170 0.000 0.862 195 A HN 0.880 nan 8.150 nan 0.000 0.461 196 W N -1.868 119.245 121.300 -0.312 0.000 3.275 196 W HA 0.672 5.327 4.660 -0.009 0.000 0.306 196 W C -1.233 174.976 176.519 -0.517 0.000 1.259 196 W CA -0.928 56.185 57.345 -0.388 0.000 1.194 196 W CB 0.490 29.791 29.460 -0.265 0.000 1.375 196 W HN 0.114 nan 8.180 nan 0.000 0.564 197 R N 2.236 122.521 120.500 -0.358 0.000 2.522 197 R HA 0.557 4.892 4.340 -0.009 0.000 0.283 197 R C -2.302 173.654 176.300 -0.574 0.000 1.074 197 R CA -0.338 55.535 56.100 -0.377 0.000 0.925 197 R CB 1.977 32.048 30.300 -0.382 0.000 1.205 197 R HN 0.509 nan 8.270 nan 0.000 0.436 198 Y N 2.224 122.511 120.300 -0.023 0.000 2.576 198 Y HA 0.480 5.024 4.550 -0.009 0.000 0.346 198 Y C -0.819 174.900 175.900 -0.302 0.000 1.018 198 Y CA -0.825 57.226 58.100 -0.082 0.000 1.050 198 Y CB 1.685 40.174 38.460 0.047 0.000 1.280 198 Y HN 0.438 nan 8.280 nan 0.000 0.474 199 Y N -0.916 119.591 120.300 0.344 0.000 2.567 199 Y HA 0.611 5.156 4.550 -0.009 0.000 0.333 199 Y C 0.668 176.700 175.900 0.220 0.000 1.106 199 Y CA -0.799 57.454 58.100 0.256 0.000 1.157 199 Y CB 1.658 40.245 38.460 0.212 0.000 1.277 199 Y HN 0.654 nan 8.280 nan 0.000 0.490 200 A N -0.057 122.997 122.820 0.390 0.000 2.303 200 A HA 0.262 4.577 4.320 -0.009 0.000 0.217 200 A C 0.436 178.230 177.584 0.351 0.000 1.205 200 A CA 0.881 53.123 52.037 0.341 0.000 0.875 200 A CB -0.325 18.873 19.000 0.330 0.000 0.910 200 A HN 0.687 nan 8.150 nan 0.000 0.501 201 T N -4.793 109.930 114.554 0.283 0.000 2.883 201 T HA 0.652 4.996 4.350 -0.009 0.000 0.301 201 T C 0.108 174.782 174.700 -0.044 0.000 1.158 201 T CA 0.158 62.352 62.100 0.157 0.000 1.007 201 T CB 1.375 70.276 68.868 0.055 0.000 1.186 201 T HN 1.976 nan 8.240 nan 0.000 0.499 202 G N 1.636 110.162 108.800 -0.456 0.000 2.500 202 G HA2 0.103 4.058 3.960 -0.009 0.000 0.209 202 G HA3 0.103 4.058 3.960 -0.009 0.000 0.209 202 G C -3.104 171.418 174.900 -0.631 0.000 1.283 202 G CA -0.624 43.760 45.100 -1.194 0.000 0.960 202 G HN 0.865 nan 8.290 nan 0.000 0.528 203 P HA 0.237 nan 4.420 nan 0.000 0.268 203 P C 0.297 177.505 177.300 -0.153 0.000 1.208 203 P CA 0.053 62.983 63.100 -0.282 0.000 0.777 203 P CB 0.399 31.975 31.700 -0.206 0.000 0.875 204 D N 1.478 121.818 120.400 -0.100 0.000 2.144 204 D HA -0.144 4.491 4.640 -0.009 0.000 0.199 204 D C 1.921 178.152 176.300 -0.115 0.000 0.984 204 D CA 1.733 55.673 54.000 -0.100 0.000 0.834 204 D CB -0.574 40.178 40.800 -0.078 0.000 0.955 204 D HN 0.340 nan 8.370 nan 0.000 0.465 205 A N 0.904 123.685 122.820 -0.065 0.000 1.902 205 A HA -0.202 4.113 4.320 -0.009 0.000 0.217 205 A C 2.047 179.677 177.584 0.076 0.000 1.181 205 A CA 1.457 53.484 52.037 -0.017 0.000 0.623 205 A CB -0.563 18.443 19.000 0.009 0.000 0.818 205 A HN 0.195 nan 8.150 nan 0.000 0.443 206 E N -0.596 119.657 120.200 0.087 0.000 2.268 206 E HA -0.087 4.257 4.350 -0.009 0.000 0.195 206 E C 1.650 178.461 176.600 0.352 0.000 0.995 206 E CA 0.928 57.468 56.400 0.234 0.000 0.836 206 E CB -0.176 29.585 29.700 0.101 0.000 0.763 206 E HN 0.724 nan 8.360 nan 0.000 0.491 207 I N -0.640 119.986 120.570 0.093 0.000 2.852 207 I HA 0.040 4.204 4.170 -0.009 0.000 0.264 207 I C 1.195 177.095 176.117 -0.362 0.000 1.179 207 I CA 0.473 61.772 61.300 -0.001 0.000 1.480 207 I CB 0.232 38.195 38.000 -0.061 0.000 1.111 207 I HN 0.169 nan 8.210 nan 0.000 0.441 208 G N 2.317 110.773 108.800 -0.573 0.000 2.255 208 G HA2 -0.206 3.748 3.960 -0.009 0.000 0.239 208 G HA3 -0.206 3.748 3.960 -0.009 0.000 0.239 208 G C 0.009 174.452 174.900 -0.762 0.000 1.083 208 G CA -0.482 43.953 45.100 -1.108 0.000 0.826 208 G HN 0.201 nan 8.290 nan 0.000 0.493 209 L N 0.126 121.004 121.223 -0.574 0.000 2.456 209 L HA 0.507 4.842 4.340 -0.009 0.000 0.272 209 L C 1.311 177.974 176.870 -0.345 0.000 1.189 209 L CA 0.095 54.579 54.840 -0.593 0.000 0.846 209 L CB 0.782 42.488 42.059 -0.588 0.000 1.111 209 L HN 0.489 nan 8.230 nan 0.000 0.475 210 A N 1.931 124.610 122.820 -0.235 0.000 2.351 210 A HA 0.121 4.436 4.320 -0.009 0.000 0.257 210 A C 0.899 178.470 177.584 -0.022 0.000 1.087 210 A CA -0.541 51.430 52.037 -0.111 0.000 0.798 210 A CB 0.271 19.230 19.000 -0.069 0.000 1.033 210 A HN 0.867 nan 8.150 nan 0.000 0.488 211 D N 0.734 121.119 120.400 -0.024 0.000 2.172 211 D HA -0.169 4.465 4.640 -0.009 0.000 0.196 211 D C 0.517 176.840 176.300 0.038 0.000 0.999 211 D CA 1.947 55.950 54.000 0.005 0.000 0.856 211 D CB 0.009 40.806 40.800 -0.005 0.000 0.934 211 D HN 0.777 nan 8.370 nan 0.000 0.453 212 D N -0.235 120.189 120.400 0.040 0.000 2.491 212 D HA -0.069 4.565 4.640 -0.009 0.000 0.228 212 D C 0.250 176.587 176.300 0.061 0.000 1.183 212 D CA -0.700 53.321 54.000 0.036 0.000 0.827 212 D CB -1.238 39.570 40.800 0.014 0.000 0.989 212 D HN 0.105 nan 8.370 nan 0.000 0.494 213 F N 2.342 122.256 119.950 -0.060 0.000 2.593 213 F HA 0.001 4.523 4.527 -0.008 0.000 0.393 213 F C 0.832 176.614 175.800 -0.030 0.000 1.037 213 F CA 0.528 58.483 58.000 -0.074 0.000 1.195 213 F CB -0.204 38.709 39.000 -0.145 0.000 1.034 213 F HN 0.088 nan 8.300 nan 0.000 0.552 214 N N 2.740 121.064 118.700 -0.627 0.000 2.735 214 N HA -0.263 4.471 4.740 -0.009 0.000 0.248 214 N C 0.846 176.179 175.510 -0.296 0.000 1.083 214 N CA 0.492 53.216 53.050 -0.542 0.000 0.703 214 N CB -0.614 37.379 38.487 -0.825 0.000 1.005 214 N HN 0.717 nan 8.380 nan 0.000 0.550 215 S N -1.441 114.156 115.700 -0.172 0.000 2.436 215 S HA 0.075 4.540 4.470 -0.009 0.000 0.228 215 S C 1.936 176.460 174.600 -0.127 0.000 1.014 215 S CA 0.490 58.621 58.200 -0.114 0.000 0.950 215 S CB 0.209 63.371 63.200 -0.063 0.000 0.784 215 S HN 0.504 nan 8.310 nan 0.000 0.504 216 A N 1.467 124.195 122.820 -0.154 0.000 2.208 216 A HA 0.299 4.613 4.320 -0.009 0.000 0.209 216 A C 0.424 177.875 177.584 -0.222 0.000 1.161 216 A CA 0.221 52.160 52.037 -0.164 0.000 0.782 216 A CB -0.258 18.648 19.000 -0.156 0.000 0.816 216 A HN 0.547 nan 8.150 nan 0.000 0.477 217 N N -0.954 117.561 118.700 -0.308 0.000 2.700 217 N HA 0.192 4.926 4.740 -0.009 0.000 0.242 217 N C -2.607 172.685 175.510 -0.363 0.000 1.541 217 N CA -0.691 52.093 53.050 -0.443 0.000 0.764 217 N CB 1.537 39.271 38.487 -1.256 0.000 1.319 217 N HN 0.042 nan 8.380 nan 0.000 0.518 218 P HA -0.134 nan 4.420 nan 0.000 0.233 218 P C 0.691 178.024 177.300 0.054 0.000 1.167 218 P CA 1.053 64.121 63.100 -0.052 0.000 0.770 218 P CB -0.073 31.611 31.700 -0.027 0.000 0.837 219 H N -2.815 116.194 119.070 -0.101 0.000 2.491 219 H HA -0.050 4.501 4.556 -0.009 0.000 0.290 219 H C 1.778 177.207 175.328 0.169 0.000 1.050 219 H CA 0.462 56.520 56.048 0.017 0.000 1.309 219 H CB -1.414 28.353 29.762 0.009 0.000 1.392 219 H HN 0.143 nan 8.280 nan 0.000 0.554 220 Y N 1.855 121.960 120.300 -0.325 0.000 2.298 220 Y HA -0.083 4.461 4.550 -0.010 0.000 0.287 220 Y C 1.253 177.207 175.900 0.091 0.000 1.164 220 Y CA 0.063 58.096 58.100 -0.111 0.000 1.229 220 Y CB 0.033 38.475 38.460 -0.031 0.000 0.977 220 Y HN 0.571 nan 8.280 nan 0.000 0.538 221 G N -0.202 108.753 108.800 0.258 0.000 2.742 221 G HA2 -0.060 3.894 3.960 -0.009 0.000 0.686 221 G HA3 -0.060 3.894 3.960 -0.009 0.000 0.686 221 G C -0.943 174.198 174.900 0.402 0.000 1.220 221 G CA -0.468 44.831 45.100 0.332 0.000 0.783 221 G HN 0.196 nan 8.290 nan 0.000 0.646 222 Q N 0.050 120.072 119.800 0.370 0.000 1.989 222 Q HA 0.383 4.717 4.340 -0.009 0.000 0.166 222 Q C 0.416 176.706 176.000 0.483 0.000 0.536 222 Q CA -0.294 55.745 55.803 0.393 0.000 0.651 222 Q CB 0.355 29.195 28.738 0.170 0.000 1.468 222 Q HN 0.435 nan 8.270 nan 0.000 0.350 223 K N 0.148 120.719 120.400 0.285 0.000 2.107 223 K HA 0.397 4.711 4.320 -0.009 0.000 0.251 223 K C 0.511 177.223 176.600 0.188 0.000 1.012 223 K CA 0.825 57.238 56.287 0.210 0.000 0.920 223 K CB 0.428 33.000 32.500 0.120 0.000 1.033 223 K HN 0.634 nan 8.250 nan 0.000 0.478 224 G N 0.349 109.228 108.800 0.132 0.000 2.196 224 G HA2 -0.301 3.653 3.960 -0.009 0.000 0.268 224 G HA3 -0.301 3.653 3.960 -0.009 0.000 0.268 224 G C 0.699 175.651 174.900 0.087 0.000 0.975 224 G CA 0.940 46.088 45.100 0.080 0.000 0.648 224 G HN 0.466 nan 8.290 nan 0.000 0.538 225 L N 0.374 121.696 121.223 0.165 0.000 2.240 225 L HA 0.220 4.555 4.340 -0.009 0.000 0.211 225 L C 2.897 179.766 176.870 -0.002 0.000 1.106 225 L CA 1.141 56.008 54.840 0.046 0.000 0.793 225 L CB -0.370 41.656 42.059 -0.054 0.000 0.927 225 L HN 0.261 nan 8.230 nan 0.000 0.446 226 G N -0.673 108.176 108.800 0.081 0.000 2.653 226 G HA2 -0.160 3.795 3.960 -0.009 0.000 0.212 226 G HA3 -0.160 3.795 3.960 -0.009 0.000 0.212 226 G C 1.398 176.267 174.900 -0.053 0.000 1.138 226 G CA 1.296 46.454 45.100 0.096 0.000 0.782 226 G HN 0.475 nan 8.290 nan 0.000 0.535 227 T N -4.177 110.341 114.554 -0.059 0.000 2.964 227 T HA 0.459 4.803 4.350 -0.009 0.000 0.250 227 T C 2.376 177.168 174.700 0.153 0.000 0.982 227 T CA 0.997 63.045 62.100 -0.088 0.000 0.959 227 T CB 0.161 68.872 68.868 -0.263 0.000 1.141 227 T HN 0.155 nan 8.240 nan 0.000 0.494 228 A N 2.487 125.366 122.820 0.097 0.000 1.968 228 A HA 0.095 4.409 4.320 -0.009 0.000 0.217 228 A C 2.292 179.919 177.584 0.071 0.000 1.169 228 A CA 1.688 53.772 52.037 0.079 0.000 0.638 228 A CB -1.126 17.897 19.000 0.038 0.000 0.812 228 A HN 0.664 nan 8.150 nan 0.000 0.446 229 T N -4.439 110.143 114.554 0.048 0.000 3.330 229 T HA 0.387 4.731 4.350 -0.009 0.000 0.249 229 T C -0.315 174.206 174.700 -0.299 0.000 0.980 229 T CA -0.584 61.437 62.100 -0.133 0.000 0.920 229 T CB -0.705 68.009 68.868 -0.256 0.000 1.065 229 T HN 0.406 nan 8.240 nan 0.000 0.588 230 W N 0.214 121.551 121.300 0.062 0.000 3.017 230 W HA 0.628 5.282 4.660 -0.009 0.000 0.341 230 W C -0.349 176.240 176.519 0.116 0.000 1.180 230 W CA -1.138 56.284 57.345 0.129 0.000 1.097 230 W CB 1.399 31.016 29.460 0.260 0.000 1.468 230 W HN 0.073 nan 8.180 nan 0.000 0.584 231 E N 0.870 121.298 120.200 0.380 0.000 2.171 231 E HA 0.495 4.840 4.350 -0.009 0.000 0.271 231 E C 0.755 177.496 176.600 0.234 0.000 0.916 231 E CA 0.253 56.795 56.400 0.237 0.000 0.774 231 E CB 1.119 30.910 29.700 0.152 0.000 1.128 231 E HN 0.622 nan 8.360 nan 0.000 0.403 232 G N 4.634 113.550 108.800 0.193 0.000 2.614 232 G HA2 -0.336 3.618 3.960 -0.009 0.000 0.303 232 G HA3 -0.336 3.618 3.960 -0.009 0.000 0.303 232 G C 0.259 175.239 174.900 0.134 0.000 1.270 232 G CA 0.442 45.627 45.100 0.142 0.000 0.988 232 G HN 0.735 nan 8.290 nan 0.000 0.551 233 D N 1.549 121.900 120.400 -0.082 0.000 2.370 233 D HA 0.423 5.058 4.640 -0.009 0.000 0.230 233 D C 2.081 177.954 176.300 -0.712 0.000 1.143 233 D CA 0.917 54.611 54.000 -0.509 0.000 0.834 233 D CB -0.210 40.297 40.800 -0.487 0.000 0.944 233 D HN 0.722 nan 8.370 nan 0.000 0.504 234 A N 0.936 123.608 122.820 -0.247 0.000 2.121 234 A HA -0.127 4.188 4.320 -0.009 0.000 0.218 234 A C 1.951 179.279 177.584 -0.426 0.000 1.154 234 A CA 0.383 52.345 52.037 -0.124 0.000 0.679 234 A CB -0.933 18.232 19.000 0.275 0.000 0.795 234 A HN 0.535 nan 8.150 nan 0.000 0.458 235 W N 0.460 121.317 121.300 -0.739 0.000 2.387 235 W HA -0.139 4.516 4.660 -0.009 0.000 0.272 235 W C 1.076 177.155 176.519 -0.733 0.000 1.224 235 W CA 1.126 57.603 57.345 -1.447 0.000 1.210 235 W CB -0.739 27.885 29.460 -1.394 0.000 1.125 235 W HN 0.295 nan 8.180 nan 0.000 0.572 236 K N 1.503 121.315 120.400 -0.979 0.000 2.148 236 K HA -0.055 4.259 4.320 -0.009 0.000 0.204 236 K C 1.638 177.958 176.600 -0.467 0.000 1.050 236 K CA 1.586 57.419 56.287 -0.756 0.000 0.942 236 K CB -0.255 31.699 32.500 -0.911 0.000 0.724 236 K HN 0.336 nan 8.250 nan 0.000 0.446 237 I N -3.096 117.168 120.570 -0.509 0.000 3.376 237 I HA 0.337 4.501 4.170 -0.009 0.000 0.347 237 I C 0.634 176.658 176.117 -0.156 0.000 1.453 237 I CA -0.404 60.623 61.300 -0.455 0.000 1.044 237 I CB 0.592 38.023 38.000 -0.949 0.000 1.668 237 I HN -0.106 nan 8.210 nan 0.000 0.490 238 G N 0.669 109.393 108.800 -0.127 0.000 3.088 238 G HA2 0.496 4.450 3.960 -0.009 0.000 0.217 238 G HA3 0.496 4.450 3.960 -0.009 0.000 0.217 238 G C 0.834 175.897 174.900 0.272 0.000 1.159 238 G CA 0.358 45.448 45.100 -0.017 0.000 0.760 238 G HN 0.844 nan 8.290 nan 0.000 0.550 239 G N -0.429 108.509 108.800 0.230 0.000 2.553 239 G HA2 0.315 4.269 3.960 -0.009 0.000 0.242 239 G HA3 0.315 4.269 3.960 -0.009 0.000 0.242 239 G C 1.044 176.115 174.900 0.286 0.000 1.277 239 G CA 0.876 46.143 45.100 0.278 0.000 0.910 239 G HN 1.876 nan 8.290 nan 0.000 0.576 240 G N -2.245 106.733 108.800 0.297 0.000 2.143 240 G HA2 0.148 4.102 3.960 -0.009 0.000 0.249 240 G HA3 0.148 4.102 3.960 -0.009 0.000 0.249 240 G C 1.131 176.185 174.900 0.256 0.000 0.981 240 G CA 1.556 46.827 45.100 0.285 0.000 0.665 240 G HN 2.840 nan 8.290 nan 0.000 0.528 241 T N 0.015 114.724 114.554 0.258 0.000 2.908 241 T HA 0.367 4.711 4.350 -0.009 0.000 0.325 241 T C 0.284 175.124 174.700 0.233 0.000 1.092 241 T CA 0.458 62.690 62.100 0.220 0.000 1.125 241 T CB 1.046 70.076 68.868 0.272 0.000 1.016 241 T HN 1.019 nan 8.240 nan 0.000 0.550 242 N N 2.571 121.333 118.700 0.103 0.000 2.569 242 N HA 0.136 4.870 4.740 -0.009 0.000 0.254 242 N C -0.110 175.371 175.510 -0.047 0.000 1.004 242 N CA -1.063 51.963 53.050 -0.041 0.000 0.904 242 N CB 1.019 39.433 38.487 -0.123 0.000 1.165 242 N HN 1.045 nan 8.380 nan 0.000 0.513 243 W N 1.749 122.996 121.300 -0.088 0.000 2.818 243 W HA 0.483 5.138 4.660 -0.008 0.000 0.403 243 W C -0.280 176.112 176.519 -0.211 0.000 0.991 243 W CA -0.741 56.533 57.345 -0.117 0.000 1.925 243 W CB -0.546 28.887 29.460 -0.046 0.000 1.166 243 W HN 0.360 nan 8.180 nan 0.000 0.605 244 G N 1.322 109.757 108.800 -0.609 0.000 3.329 244 G HA2 0.423 4.377 3.960 -0.009 0.000 0.180 244 G HA3 0.423 4.377 3.960 -0.009 0.000 0.180 244 G C -1.411 173.077 174.900 -0.686 0.000 1.640 244 G CA -0.489 44.200 45.100 -0.686 0.000 1.018 244 G HN 0.126 nan 8.290 nan 0.000 0.581 245 W N -1.488 119.692 121.300 -0.199 0.000 2.647 245 W HA 0.688 5.343 4.660 -0.009 0.000 0.353 245 W C -1.069 175.241 176.519 -0.348 0.000 1.080 245 W CA -0.796 56.472 57.345 -0.129 0.000 1.208 245 W CB 1.142 30.657 29.460 0.092 0.000 1.396 245 W HN 0.287 nan 8.180 nan 0.000 0.573 246 Y N 0.818 121.195 120.300 0.129 0.000 2.534 246 Y HA 0.777 5.321 4.550 -0.010 0.000 0.329 246 Y C 0.494 176.403 175.900 0.014 0.000 1.154 246 Y CA -1.136 56.883 58.100 -0.135 0.000 1.192 246 Y CB 1.683 39.637 38.460 -0.845 0.000 1.275 246 Y HN 0.468 nan 8.280 nan 0.000 0.491 247 A N 0.970 124.021 122.820 0.385 0.000 2.569 247 A HA 0.767 5.082 4.320 -0.009 0.000 0.290 247 A C -2.500 175.506 177.584 0.703 0.000 1.136 247 A CA -0.689 51.681 52.037 0.556 0.000 0.710 247 A CB 1.707 20.980 19.000 0.455 0.000 1.303 247 A HN 0.658 nan 8.150 nan 0.000 0.413 248 Y N 0.647 121.266 120.300 0.532 0.000 2.441 248 Y HA 0.513 5.058 4.550 -0.008 0.000 0.334 248 Y C -1.660 174.364 175.900 0.206 0.000 1.061 248 Y CA -0.965 57.284 58.100 0.247 0.000 1.032 248 Y CB 1.892 40.347 38.460 -0.009 0.000 1.266 248 Y HN 0.679 nan 8.280 nan 0.000 0.441 249 D N 8.152 128.297 120.400 -0.425 0.000 2.427 249 D HA 0.336 4.970 4.640 -0.009 0.000 0.226 249 D C -2.188 173.532 176.300 -0.967 0.000 1.076 249 D CA -2.351 51.403 54.000 -0.410 0.000 0.849 249 D CB 2.387 43.184 40.800 -0.004 0.000 1.052 249 D HN 0.334 nan 8.370 nan 0.000 0.515 250 P HA -0.118 nan 4.420 nan 0.000 0.215 250 P C 0.983 178.169 177.300 -0.190 0.000 1.153 250 P CA 1.328 64.171 63.100 -0.429 0.000 0.853 250 P CB 0.308 31.970 31.700 -0.064 0.000 0.788 251 A N -0.156 122.590 122.820 -0.123 0.000 1.897 251 A HA 0.047 4.361 4.320 -0.009 0.000 0.215 251 A C 2.264 179.818 177.584 -0.050 0.000 1.181 251 A CA 1.749 53.758 52.037 -0.046 0.000 0.620 251 A CB -1.476 17.516 19.000 -0.013 0.000 0.821 251 A HN 0.195 nan 8.150 nan 0.000 0.443 252 A N -1.239 121.533 122.820 -0.079 0.000 2.167 252 A HA 0.086 4.401 4.320 -0.009 0.000 0.214 252 A C 1.040 178.578 177.584 -0.077 0.000 1.151 252 A CA 0.834 52.845 52.037 -0.043 0.000 0.735 252 A CB -0.713 18.293 19.000 0.011 0.000 0.802 252 A HN 0.728 nan 8.150 nan 0.000 0.467 253 N N -1.275 117.335 118.700 -0.150 0.000 2.735 253 N HA -0.146 4.589 4.740 -0.009 0.000 0.248 253 N C -1.054 174.413 175.510 -0.071 0.000 1.083 253 N CA 0.352 53.361 53.050 -0.068 0.000 0.703 253 N CB -0.962 37.574 38.487 0.082 0.000 1.005 253 N HN 0.452 nan 8.380 nan 0.000 0.550 254 L N 1.947 123.008 121.223 -0.270 0.000 2.341 254 L HA 0.596 4.930 4.340 -0.009 0.000 0.278 254 L C 0.461 177.060 176.870 -0.451 0.000 1.005 254 L CA -1.012 53.609 54.840 -0.366 0.000 0.818 254 L CB 1.557 43.315 42.059 -0.503 0.000 1.259 254 L HN 0.091 nan 8.230 nan 0.000 0.418 255 I N -0.440 119.977 120.570 -0.255 0.000 2.385 255 I HA 0.491 4.655 4.170 -0.009 0.000 0.294 255 I C -1.193 174.708 176.117 -0.360 0.000 0.988 255 I CA -0.570 60.658 61.300 -0.119 0.000 1.265 255 I CB 0.911 39.032 38.000 0.202 0.000 1.388 255 I HN 0.307 nan 8.210 nan 0.000 0.480 256 Y N 5.432 125.848 120.300 0.193 0.000 2.393 256 Y HA 0.694 5.238 4.550 -0.009 0.000 0.341 256 Y C -0.303 175.682 175.900 0.142 0.000 0.988 256 Y CA -0.673 57.441 58.100 0.024 0.000 1.078 256 Y CB 1.400 39.855 38.460 -0.008 0.000 1.203 256 Y HN 0.661 nan 8.280 nan 0.000 0.453 257 Y N -0.784 119.570 120.300 0.090 0.000 2.744 257 Y HA 0.939 5.483 4.550 -0.009 0.000 0.330 257 Y C -0.715 175.118 175.900 -0.111 0.000 1.263 257 Y CA -2.143 55.919 58.100 -0.062 0.000 1.065 257 Y CB 1.070 39.429 38.460 -0.168 0.000 1.306 257 Y HN 0.721 nan 8.280 nan 0.000 0.459 258 G N 0.527 109.303 108.800 -0.040 0.000 2.482 258 G HA2 0.549 4.503 3.960 -0.009 0.000 0.317 258 G HA3 0.549 4.503 3.960 -0.009 0.000 0.317 258 G C -1.266 173.709 174.900 0.126 0.000 1.241 258 G CA -0.748 44.298 45.100 -0.090 0.000 0.967 258 G HN 0.988 nan 8.290 nan 0.000 0.482 259 S N 0.402 116.180 115.700 0.130 0.000 2.687 259 S HA 0.822 5.287 4.470 -0.009 0.000 0.283 259 S C 0.748 175.443 174.600 0.158 0.000 1.170 259 S CA -0.109 58.218 58.200 0.211 0.000 1.008 259 S CB 1.751 65.103 63.200 0.252 0.000 1.026 259 S HN 0.984 nan 8.310 nan 0.000 0.541 260 G N 0.904 109.823 108.800 0.199 0.000 2.574 260 G HA2 0.357 4.311 3.960 -0.009 0.000 0.248 260 G HA3 0.357 4.311 3.960 -0.009 0.000 0.248 260 G C -0.202 174.845 174.900 0.245 0.000 1.422 260 G CA -1.020 44.223 45.100 0.238 0.000 1.051 260 G HN 0.919 nan 8.290 nan 0.000 0.560 261 N N 0.983 119.843 118.700 0.267 0.000 2.513 261 N HA 0.306 5.040 4.740 -0.009 0.000 0.274 261 N C -2.770 172.877 175.510 0.228 0.000 1.189 261 N CA -1.171 51.998 53.050 0.199 0.000 0.975 261 N CB 1.733 40.297 38.487 0.129 0.000 1.157 261 N HN 0.167 nan 8.380 nan 0.000 0.465 262 P HA 0.256 nan 4.420 nan 0.000 0.276 262 P C -1.114 176.361 177.300 0.293 0.000 1.252 262 P CA -0.416 62.869 63.100 0.309 0.000 0.802 262 P CB 0.849 32.690 31.700 0.236 0.000 1.035 263 A N 1.689 124.740 122.820 0.384 0.000 2.374 263 A HA 0.789 5.104 4.320 -0.009 0.000 0.317 263 A C -2.474 175.316 177.584 0.343 0.000 1.094 263 A CA -1.898 50.349 52.037 0.351 0.000 0.765 263 A CB 0.948 20.236 19.000 0.480 0.000 1.268 263 A HN 0.378 nan 8.150 nan 0.000 0.438 264 P HA 0.225 nan 4.420 nan 0.000 0.328 264 P C 0.006 177.357 177.300 0.085 0.000 1.305 264 P CA -0.235 62.684 63.100 -0.301 0.000 0.745 264 P CB 0.461 31.527 31.700 -1.057 0.000 1.462 265 W N -1.501 119.674 121.300 -0.207 0.000 2.576 265 W HA 0.097 4.752 4.660 -0.009 0.000 0.270 265 W C 1.036 177.624 176.519 0.115 0.000 1.255 265 W CA 0.414 57.780 57.345 0.035 0.000 1.314 265 W CB -1.753 27.723 29.460 0.026 0.000 1.101 265 W HN 0.239 nan 8.180 nan 0.000 0.595 266 N N 2.386 121.170 118.700 0.139 0.000 2.399 266 N HA -0.097 4.638 4.740 -0.009 0.000 0.284 266 N C 1.213 176.737 175.510 0.025 0.000 1.283 266 N CA 0.674 53.766 53.050 0.070 0.000 0.972 266 N CB 0.604 39.033 38.487 -0.097 0.000 1.328 266 N HN 0.301 nan 8.380 nan 0.000 0.486 267 E N 1.828 122.018 120.200 -0.016 0.000 2.153 267 E HA -0.159 4.186 4.350 -0.009 0.000 0.194 267 E C 1.084 177.715 176.600 0.052 0.000 0.988 267 E CA 1.762 58.082 56.400 -0.134 0.000 0.811 267 E CB -0.655 28.881 29.700 -0.274 0.000 0.746 267 E HN 0.488 nan 8.360 nan 0.000 0.466 268 T N 0.637 115.230 114.554 0.065 0.000 2.881 268 T HA -0.058 4.287 4.350 -0.009 0.000 0.270 268 T C 1.523 176.274 174.700 0.084 0.000 1.068 268 T CA 1.558 63.706 62.100 0.078 0.000 1.131 268 T CB -0.240 68.670 68.868 0.071 0.000 0.871 268 T HN 0.218 nan 8.240 nan 0.000 0.479 269 M N 1.131 120.779 119.600 0.079 0.000 2.618 269 M HA 0.107 4.581 4.480 -0.009 0.000 0.240 269 M C 0.534 176.923 176.300 0.148 0.000 1.123 269 M CA 0.638 56.001 55.300 0.106 0.000 1.060 269 M CB 0.127 32.786 32.600 0.099 0.000 1.535 269 M HN 0.207 nan 8.290 nan 0.000 0.507 270 R N -0.026 120.558 120.500 0.140 0.000 2.754 270 R HA 0.362 4.696 4.340 -0.009 0.000 0.255 270 R C -3.090 173.288 176.300 0.130 0.000 1.723 270 R CA -1.425 54.772 56.100 0.163 0.000 1.596 270 R CB -0.337 30.073 30.300 0.182 0.000 1.424 270 R HN -0.126 nan 8.270 nan 0.000 0.662 271 P HA 0.184 nan 4.420 nan 0.000 0.266 271 P C 0.302 177.532 177.300 -0.117 0.000 1.193 271 P CA 1.026 64.099 63.100 -0.046 0.000 0.770 271 P CB 1.025 32.694 31.700 -0.051 0.000 0.836 272 G N 1.920 110.568 108.800 -0.253 0.000 2.440 272 G HA2 -0.114 3.841 3.960 -0.009 0.000 0.684 272 G HA3 -0.114 3.841 3.960 -0.009 0.000 0.684 272 G C -0.018 174.725 174.900 -0.262 0.000 1.309 272 G CA -0.431 44.514 45.100 -0.259 0.000 0.931 272 G HN 0.343 nan 8.290 nan 0.000 0.612 273 D N 0.520 120.744 120.400 -0.294 0.000 2.312 273 D HA 0.023 4.657 4.640 -0.009 0.000 0.211 273 D C 1.468 177.532 176.300 -0.393 0.000 0.964 273 D CA 1.176 55.022 54.000 -0.258 0.000 0.877 273 D CB -0.066 40.585 40.800 -0.248 0.000 0.924 273 D HN 0.566 nan 8.370 nan 0.000 0.515 274 N N 0.459 118.701 118.700 -0.764 0.000 2.747 274 N HA -0.190 4.544 4.740 -0.009 0.000 0.249 274 N C -0.490 174.904 175.510 -0.194 0.000 1.107 274 N CA 0.519 52.935 53.050 -1.058 0.000 0.707 274 N CB -1.387 36.600 38.487 -0.832 0.000 1.054 274 N HN 0.377 nan 8.380 nan 0.000 0.555 275 K N -0.517 119.728 120.400 -0.259 0.000 2.518 275 K HA -0.075 4.240 4.320 -0.009 0.000 0.276 275 K C 0.541 177.119 176.600 -0.036 0.000 0.974 275 K CA 0.998 57.048 56.287 -0.395 0.000 0.986 275 K CB 0.098 31.916 32.500 -1.137 0.000 0.901 275 K HN 0.434 nan 8.250 nan 0.000 0.497 276 W N -2.080 119.331 121.300 0.184 0.000 1.277 276 W HA -0.309 4.345 4.660 -0.010 0.000 0.236 276 W C 0.830 177.436 176.519 0.146 0.000 0.973 276 W CA 0.560 57.989 57.345 0.140 0.000 0.390 276 W CB -2.432 27.077 29.460 0.081 0.000 1.977 276 W HN 0.670 nan 8.180 nan 0.000 1.223 277 T N -1.042 113.699 114.554 0.310 0.000 2.860 277 T HA 0.412 4.757 4.350 -0.009 0.000 0.299 277 T C 1.016 175.816 174.700 0.166 0.000 1.045 277 T CA 0.584 62.838 62.100 0.257 0.000 1.071 277 T CB 0.906 69.939 68.868 0.275 0.000 0.985 277 T HN 0.390 nan 8.240 nan 0.000 0.537 278 M N -0.827 118.865 119.600 0.153 0.000 2.751 278 M HA -0.148 4.327 4.480 -0.009 0.000 0.199 278 M C 0.034 176.358 176.300 0.040 0.000 0.550 278 M CA 0.743 56.103 55.300 0.101 0.000 0.640 278 M CB -3.300 29.352 32.600 0.086 0.000 2.351 278 M HN 0.896 nan 8.290 nan 0.000 0.613 279 T N 0.960 115.561 114.554 0.079 0.000 2.823 279 T HA 0.718 5.062 4.350 -0.009 0.000 0.279 279 T C 0.643 175.324 174.700 -0.031 0.000 0.998 279 T CA -0.560 61.577 62.100 0.062 0.000 0.994 279 T CB 1.902 70.933 68.868 0.271 0.000 0.960 279 T HN 0.216 nan 8.240 nan 0.000 0.448 280 I N 3.346 123.880 120.570 -0.059 0.000 2.396 280 I HA 0.271 4.435 4.170 -0.009 0.000 0.289 280 I C 0.350 176.412 176.117 -0.090 0.000 1.056 280 I CA -0.109 61.116 61.300 -0.125 0.000 1.365 280 I CB 0.711 38.678 38.000 -0.055 0.000 1.407 280 I HN 0.492 nan 8.210 nan 0.000 0.509 281 T N 5.444 119.800 114.554 -0.330 0.000 2.848 281 T HA 0.677 5.021 4.350 -0.009 0.000 0.285 281 T C -0.507 173.846 174.700 -0.578 0.000 0.995 281 T CA -0.608 61.197 62.100 -0.493 0.000 0.970 281 T CB 1.860 70.232 68.868 -0.827 0.000 0.976 281 T HN 0.679 nan 8.240 nan 0.000 0.441 282 A N 3.543 125.944 122.820 -0.698 0.000 2.343 282 A HA 0.843 5.157 4.320 -0.009 0.000 0.308 282 A C -0.410 176.843 177.584 -0.551 0.000 1.092 282 A CA -0.809 50.762 52.037 -0.777 0.000 0.751 282 A CB 1.114 19.310 19.000 -1.340 0.000 1.203 282 A HN 0.757 nan 8.150 nan 0.000 0.452 283 R N 1.094 121.350 120.500 -0.407 0.000 2.686 283 R HA 0.326 4.660 4.340 -0.009 0.000 0.283 283 R C -1.338 174.798 176.300 -0.273 0.000 0.978 283 R CA -0.756 55.153 56.100 -0.318 0.000 0.897 283 R CB 2.131 32.286 30.300 -0.241 0.000 1.192 283 R HN 0.923 nan 8.270 nan 0.000 0.457 284 D N 1.528 121.765 120.400 -0.272 0.000 2.434 284 D HA 0.028 4.663 4.640 -0.009 0.000 0.252 284 D C 1.121 177.342 176.300 -0.131 0.000 1.185 284 D CA 0.322 54.215 54.000 -0.178 0.000 0.886 284 D CB 1.208 41.901 40.800 -0.177 0.000 1.148 284 D HN 0.593 nan 8.370 nan 0.000 0.483 285 A N 4.147 126.985 122.820 0.030 0.000 1.948 285 A HA -0.233 4.082 4.320 -0.009 0.000 0.220 285 A C 1.712 179.446 177.584 0.249 0.000 1.177 285 A CA 1.674 53.779 52.037 0.115 0.000 0.636 285 A CB -0.208 18.776 19.000 -0.028 0.000 0.815 285 A HN 0.762 nan 8.150 nan 0.000 0.449 286 D N -1.964 118.535 120.400 0.165 0.000 2.338 286 D HA -0.023 4.612 4.640 -0.009 0.000 0.208 286 D C 1.969 178.375 176.300 0.178 0.000 0.997 286 D CA 1.693 55.851 54.000 0.263 0.000 0.880 286 D CB 0.041 40.984 40.800 0.237 0.000 0.980 286 D HN 0.653 nan 8.370 nan 0.000 0.509 287 T N -3.577 110.893 114.554 -0.141 0.000 2.969 287 T HA 0.327 4.672 4.350 -0.009 0.000 0.250 287 T C 1.680 175.897 174.700 -0.805 0.000 1.021 287 T CA 0.827 62.776 62.100 -0.252 0.000 1.003 287 T CB 1.038 69.824 68.868 -0.137 0.000 1.040 287 T HN 0.116 nan 8.240 nan 0.000 0.492 288 G N 2.081 110.184 108.800 -1.162 0.000 2.143 288 G HA2 -0.208 3.747 3.960 -0.009 0.000 0.249 288 G HA3 -0.208 3.747 3.960 -0.009 0.000 0.249 288 G C -0.057 174.350 174.900 -0.822 0.000 0.981 288 G CA -0.108 43.940 45.100 -1.754 0.000 0.665 288 G HN 0.582 nan 8.290 nan 0.000 0.528 289 K N 0.201 120.273 120.400 -0.546 0.000 2.401 289 K HA 0.274 4.588 4.320 -0.009 0.000 0.278 289 K C 0.785 177.131 176.600 -0.423 0.000 1.018 289 K CA -0.446 55.554 56.287 -0.478 0.000 0.981 289 K CB 0.781 33.094 32.500 -0.311 0.000 0.933 289 K HN 0.426 nan 8.250 nan 0.000 0.477 290 M N 3.812 123.132 119.600 -0.466 0.000 2.266 290 M HA -0.050 4.424 4.480 -0.009 0.000 0.340 290 M C 1.032 177.217 176.300 -0.193 0.000 1.486 290 M CA 0.079 55.140 55.300 -0.398 0.000 1.209 290 M CB 0.403 32.664 32.600 -0.565 0.000 1.714 290 M HN 0.385 nan 8.290 nan 0.000 0.459 291 K N 5.110 125.421 120.400 -0.149 0.000 2.031 291 K HA 0.061 4.376 4.320 -0.009 0.000 0.205 291 K C -0.350 176.402 176.600 0.252 0.000 1.049 291 K CA 1.541 57.835 56.287 0.011 0.000 0.939 291 K CB 0.171 32.629 32.500 -0.071 0.000 0.717 291 K HN 0.640 nan 8.250 nan 0.000 0.438 292 F N -3.705 116.330 119.950 0.142 0.000 2.741 292 F HA 0.649 5.171 4.527 -0.008 0.000 0.313 292 F C -0.740 175.144 175.800 0.140 0.000 1.153 292 F CA -1.086 56.957 58.000 0.073 0.000 0.931 292 F CB 1.044 40.037 39.000 -0.012 0.000 1.335 292 F HN -0.101 nan 8.300 nan 0.000 0.460 293 G N 0.935 110.034 108.800 0.498 0.000 2.505 293 G HA2 0.453 4.407 3.960 -0.009 0.000 0.292 293 G HA3 0.453 4.407 3.960 -0.009 0.000 0.292 293 G C -2.961 172.136 174.900 0.328 0.000 1.332 293 G CA -0.669 44.595 45.100 0.274 0.000 1.286 293 G HN 1.080 nan 8.290 nan 0.000 0.606 294 Y N 2.497 122.857 120.300 0.100 0.000 2.388 294 Y HA 0.562 5.107 4.550 -0.008 0.000 0.328 294 Y C 0.276 176.122 175.900 -0.090 0.000 0.963 294 Y CA -0.879 57.096 58.100 -0.209 0.000 1.240 294 Y CB 1.676 39.830 38.460 -0.510 0.000 1.118 294 Y HN 0.522 nan 8.280 nan 0.000 0.484 295 Q N 6.020 125.453 119.800 -0.611 0.000 2.307 295 Q HA 0.109 4.443 4.340 -0.009 0.000 0.261 295 Q C 0.403 175.885 176.000 -0.862 0.000 1.051 295 Q CA 0.135 55.643 55.803 -0.491 0.000 0.911 295 Q CB 0.852 29.402 28.738 -0.313 0.000 1.227 295 Q HN 0.868 nan 8.270 nan 0.000 0.418 296 K N 1.315 121.352 120.400 -0.606 0.000 2.116 296 K HA 0.011 4.325 4.320 -0.009 0.000 0.203 296 K C 0.212 176.728 176.600 -0.140 0.000 1.052 296 K CA 0.937 56.942 56.287 -0.469 0.000 0.952 296 K CB 0.475 32.720 32.500 -0.425 0.000 0.729 296 K HN 0.350 nan 8.250 nan 0.000 0.446 297 T N 3.206 117.745 114.554 -0.024 0.000 3.250 297 T HA 0.256 4.600 4.350 -0.009 0.000 0.391 297 T C -2.745 172.014 174.700 0.099 0.000 1.502 297 T CA -1.622 60.590 62.100 0.188 0.000 1.320 297 T CB 1.351 70.436 68.868 0.362 0.000 1.102 297 T HN -0.153 nan 8.240 nan 0.000 0.610 298 P HA 0.024 nan 4.420 nan 0.000 0.267 298 P C 0.343 177.684 177.300 0.068 0.000 1.205 298 P CA 0.188 63.280 63.100 -0.012 0.000 0.765 298 P CB 0.066 31.741 31.700 -0.041 0.000 0.828 299 H N 1.180 120.160 119.070 -0.149 0.000 2.591 299 H HA -0.256 4.294 4.556 -0.010 0.000 0.325 299 H C -0.250 174.962 175.328 -0.194 0.000 1.096 299 H CA 0.111 56.037 56.048 -0.202 0.000 1.108 299 H CB -0.820 28.817 29.762 -0.209 0.000 1.590 299 H HN 0.504 nan 8.280 nan 0.000 0.399 300 D N 1.227 121.458 120.400 -0.282 0.000 2.571 300 D HA -0.046 4.588 4.640 -0.009 0.000 0.231 300 D C 1.020 176.878 176.300 -0.736 0.000 1.133 300 D CA 1.142 54.964 54.000 -0.297 0.000 0.862 300 D CB 0.582 41.308 40.800 -0.124 0.000 1.179 300 D HN 0.685 nan 8.370 nan 0.000 0.474 301 E N 2.150 121.625 120.200 -1.209 0.000 2.641 301 E HA 0.129 4.474 4.350 -0.009 0.000 0.224 301 E C 0.018 175.400 176.600 -2.030 0.000 0.951 301 E CA -0.270 55.074 56.400 -1.760 0.000 1.102 301 E CB 0.569 28.794 29.700 -2.458 0.000 1.091 301 E HN 0.636 nan 8.360 nan 0.000 0.507 302 W N 0.308 120.951 121.300 -1.095 0.000 2.055 302 W HA 0.170 4.825 4.660 -0.009 0.000 0.293 302 W C -0.041 175.923 176.519 -0.925 0.000 0.886 302 W CA -0.450 56.029 57.345 -1.445 0.000 1.384 302 W CB 0.429 28.698 29.460 -1.985 0.000 1.068 302 W HN 0.022 nan 8.180 nan 0.000 0.513 303 D N 1.163 121.253 120.400 -0.516 0.000 2.708 303 D HA -0.258 4.377 4.640 -0.009 0.000 0.236 303 D C -0.196 176.073 176.300 -0.051 0.000 1.146 303 D CA 0.642 54.360 54.000 -0.471 0.000 0.662 303 D CB -1.538 38.587 40.800 -1.124 0.000 1.059 303 D HN -0.082 nan 8.370 nan 0.000 0.428 304 F N 0.333 120.338 119.950 0.091 0.000 2.727 304 F HA 0.414 4.935 4.527 -0.009 0.000 0.349 304 F C 1.517 177.404 175.800 0.146 0.000 1.172 304 F CA -0.296 57.783 58.000 0.133 0.000 1.355 304 F CB -1.008 38.071 39.000 0.132 0.000 1.546 304 F HN 0.225 nan 8.300 nan 0.000 0.596 305 A N 0.582 123.605 122.820 0.339 0.000 2.573 305 A HA 0.292 4.607 4.320 -0.009 0.000 0.250 305 A C 1.608 179.310 177.584 0.197 0.000 1.049 305 A CA 0.518 52.740 52.037 0.308 0.000 0.767 305 A CB -0.196 19.102 19.000 0.497 0.000 0.965 305 A HN 0.678 nan 8.150 nan 0.000 0.514 306 G N 1.549 110.440 108.800 0.152 0.000 3.374 306 G HA2 0.281 4.236 3.960 -0.009 0.000 0.252 306 G HA3 0.281 4.236 3.960 -0.009 0.000 0.252 306 G C 0.704 175.641 174.900 0.063 0.000 1.326 306 G CA 0.629 45.802 45.100 0.122 0.000 1.133 306 G HN 1.531 nan 8.290 nan 0.000 0.528 307 V N -3.255 116.596 119.914 -0.104 0.000 3.596 307 V HA 0.234 4.348 4.120 -0.009 0.000 0.289 307 V C 0.509 176.500 176.094 -0.171 0.000 1.336 307 V CA -1.130 60.987 62.300 -0.305 0.000 1.137 307 V CB -0.850 30.399 31.823 -0.956 0.000 0.966 307 V HN 0.064 nan 8.190 nan 0.000 0.428 308 N N 1.032 119.759 118.700 0.045 0.000 2.288 308 N HA 0.216 4.950 4.740 -0.009 0.000 0.237 308 N C 0.070 175.740 175.510 0.267 0.000 1.311 308 N CA 0.123 53.230 53.050 0.095 0.000 0.909 308 N CB 1.097 39.522 38.487 -0.102 0.000 1.167 308 N HN 0.271 nan 8.380 nan 0.000 0.476 309 V N 0.497 120.530 119.914 0.199 0.000 3.096 309 V HA 0.261 4.376 4.120 -0.009 0.000 0.306 309 V C -0.055 176.119 176.094 0.133 0.000 1.088 309 V CA -0.037 62.328 62.300 0.109 0.000 1.129 309 V CB 0.188 31.839 31.823 -0.288 0.000 1.014 309 V HN 0.416 nan 8.190 nan 0.000 0.486 310 I N 5.869 126.470 120.570 0.051 0.000 2.468 310 I HA 0.406 4.570 4.170 -0.009 0.000 0.285 310 I C -0.500 175.629 176.117 0.019 0.000 1.039 310 I CA -0.237 61.095 61.300 0.052 0.000 1.074 310 I CB 1.808 39.823 38.000 0.025 0.000 1.228 310 I HN 0.535 nan 8.210 nan 0.000 0.436 311 M N 6.544 126.135 119.600 -0.016 0.000 2.227 311 M HA 0.461 4.936 4.480 -0.009 0.000 0.335 311 M C -1.148 175.152 176.300 -0.000 0.000 1.053 311 M CA -0.844 54.488 55.300 0.054 0.000 0.973 311 M CB 1.928 34.633 32.600 0.176 0.000 1.623 311 M HN 0.249 nan 8.290 nan 0.000 0.434 312 L N 2.667 123.902 121.223 0.021 0.000 2.334 312 L HA 0.699 5.033 4.340 -0.009 0.000 0.277 312 L C 0.139 176.945 176.870 -0.107 0.000 1.075 312 L CA 0.171 54.980 54.840 -0.050 0.000 0.804 312 L CB 1.550 43.626 42.059 0.028 0.000 1.174 312 L HN 0.865 nan 8.230 nan 0.000 0.438 313 S N 1.033 116.636 115.700 -0.162 0.000 2.625 313 S HA 0.616 5.081 4.470 -0.009 0.000 0.271 313 S C -0.975 173.576 174.600 -0.082 0.000 1.161 313 S CA -0.932 57.161 58.200 -0.178 0.000 0.820 313 S CB 1.605 64.489 63.200 -0.528 0.000 1.137 313 S HN 0.503 nan 8.310 nan 0.000 0.470 314 E N 0.496 120.681 120.200 -0.025 0.000 2.092 314 E HA 0.470 4.815 4.350 -0.009 0.000 0.271 314 E C -0.849 175.743 176.600 -0.013 0.000 0.919 314 E CA -0.296 56.094 56.400 -0.017 0.000 0.760 314 E CB 0.792 30.494 29.700 0.003 0.000 1.106 314 E HN 0.598 nan 8.360 nan 0.000 0.408 315 Q N 1.773 121.554 119.800 -0.032 0.000 2.484 315 Q HA 0.422 4.756 4.340 -0.009 0.000 0.285 315 Q C -0.971 175.006 176.000 -0.038 0.000 1.097 315 Q CA -1.136 54.648 55.803 -0.031 0.000 0.802 315 Q CB 2.233 30.948 28.738 -0.039 0.000 1.444 315 Q HN 0.379 nan 8.270 nan 0.000 0.429 316 T N 1.999 116.530 114.554 -0.038 0.000 2.729 316 T HA 0.118 4.463 4.350 -0.009 0.000 0.296 316 T C -0.182 174.489 174.700 -0.048 0.000 0.928 316 T CA -0.650 61.426 62.100 -0.039 0.000 1.045 316 T CB 0.163 69.009 68.868 -0.035 0.000 0.902 316 T HN 0.570 nan 8.240 nan 0.000 0.500 317 D N 2.724 123.095 120.400 -0.050 0.000 2.314 317 D HA 0.050 4.684 4.640 -0.009 0.000 0.252 317 D C 1.094 177.364 176.300 -0.050 0.000 1.295 317 D CA -0.277 53.690 54.000 -0.054 0.000 0.995 317 D CB 0.673 41.439 40.800 -0.056 0.000 1.125 317 D HN 0.290 nan 8.370 nan 0.000 0.537 318 K N -1.898 118.472 120.400 -0.050 0.000 2.366 318 K HA -0.027 4.287 4.320 -0.009 0.000 0.198 318 K C 1.534 178.111 176.600 -0.039 0.000 1.044 318 K CA 1.199 57.459 56.287 -0.045 0.000 0.973 318 K CB -0.146 32.326 32.500 -0.045 0.000 0.767 318 K HN 0.677 nan 8.250 nan 0.000 0.475 319 T N -3.027 111.503 114.554 -0.039 0.000 3.144 319 T HA 0.187 4.532 4.350 -0.009 0.000 0.249 319 T C 1.266 175.947 174.700 -0.033 0.000 1.089 319 T CA 0.429 62.508 62.100 -0.035 0.000 0.989 319 T CB 0.460 69.306 68.868 -0.037 0.000 0.992 319 T HN 0.303 nan 8.240 nan 0.000 0.540 320 G N 1.468 110.248 108.800 -0.034 0.000 2.205 320 G HA2 -0.292 3.662 3.960 -0.009 0.000 0.261 320 G HA3 -0.292 3.662 3.960 -0.009 0.000 0.261 320 G C 0.022 174.904 174.900 -0.031 0.000 0.980 320 G CA 0.217 45.299 45.100 -0.031 0.000 0.632 320 G HN 0.784 nan 8.290 nan 0.000 0.533 321 K N 0.813 121.193 120.400 -0.035 0.000 2.338 321 K HA 0.392 4.707 4.320 -0.009 0.000 0.290 321 K C 0.570 177.149 176.600 -0.035 0.000 1.069 321 K CA -0.643 55.623 56.287 -0.034 0.000 0.941 321 K CB 0.338 32.815 32.500 -0.039 0.000 1.023 321 K HN 0.008 nan 8.250 nan 0.000 0.477 322 K N 4.186 124.568 120.400 -0.029 0.000 2.419 322 K HA 0.020 4.334 4.320 -0.009 0.000 0.282 322 K C -0.784 175.798 176.600 -0.030 0.000 1.056 322 K CA 0.627 56.897 56.287 -0.027 0.000 1.035 322 K CB 0.317 32.805 32.500 -0.020 0.000 0.921 322 K HN 0.517 nan 8.250 nan 0.000 0.472 323 R N 3.156 123.635 120.500 -0.035 0.000 2.778 323 R HA 0.379 4.714 4.340 -0.009 0.000 0.277 323 R C -0.519 175.758 176.300 -0.038 0.000 0.977 323 R CA -0.780 55.295 56.100 -0.041 0.000 0.950 323 R CB 1.412 31.680 30.300 -0.054 0.000 1.165 323 R HN 0.465 nan 8.270 nan 0.000 0.474 324 K N 2.996 123.376 120.400 -0.034 0.000 2.234 324 K HA 0.403 4.718 4.320 -0.009 0.000 0.277 324 K C -0.838 175.726 176.600 -0.059 0.000 1.038 324 K CA -0.244 56.024 56.287 -0.033 0.000 0.888 324 K CB 0.905 33.401 32.500 -0.007 0.000 1.091 324 K HN 0.323 nan 8.250 nan 0.000 0.467 325 L N 4.011 125.183 121.223 -0.086 0.000 2.371 325 L HA 0.555 4.890 4.340 -0.009 0.000 0.262 325 L C -0.876 175.892 176.870 -0.171 0.000 1.006 325 L CA -1.404 53.364 54.840 -0.120 0.000 0.818 325 L CB 1.611 43.606 42.059 -0.106 0.000 1.354 325 L HN 0.441 nan 8.230 nan 0.000 0.415 326 L N -0.777 120.325 121.223 -0.203 0.000 2.346 326 L HA 0.914 5.248 4.340 -0.009 0.000 0.274 326 L C -0.501 176.270 176.870 -0.166 0.000 1.007 326 L CA -0.106 54.598 54.840 -0.227 0.000 0.818 326 L CB 2.059 43.912 42.059 -0.342 0.000 1.284 326 L HN 0.384 nan 8.230 nan 0.000 0.424 327 T N 1.597 116.041 114.554 -0.183 0.000 2.886 327 T HA 0.476 4.821 4.350 -0.009 0.000 0.292 327 T C -1.358 173.231 174.700 -0.184 0.000 1.012 327 T CA -0.280 61.651 62.100 -0.283 0.000 0.982 327 T CB 0.664 69.116 68.868 -0.694 0.000 1.018 327 T HN 0.830 nan 8.240 nan 0.000 0.451 328 H N 3.631 122.547 119.070 -0.257 0.000 3.093 328 H HA 0.233 4.783 4.556 -0.010 0.000 0.311 328 H C -3.088 172.163 175.328 -0.128 0.000 1.294 328 H CA -1.628 54.323 56.048 -0.163 0.000 1.628 328 H CB 1.699 31.420 29.762 -0.068 0.000 1.874 328 H HN 0.297 nan 8.280 nan 0.000 0.574 329 P HA 0.117 nan 4.420 nan 0.000 0.281 329 P C -0.396 176.538 177.300 -0.610 0.000 1.286 329 P CA 0.042 62.811 63.100 -0.553 0.000 0.772 329 P CB 1.514 32.784 31.700 -0.716 0.000 0.862 330 D N 2.219 122.413 120.400 -0.344 0.000 2.277 330 D HA 0.172 4.806 4.640 -0.009 0.000 0.250 330 D C 1.603 177.839 176.300 -0.107 0.000 1.032 330 D CA -0.708 53.154 54.000 -0.230 0.000 0.947 330 D CB 1.195 42.002 40.800 0.013 0.000 1.159 330 D HN 0.028 nan 8.370 nan 0.000 0.460 331 R N 1.368 121.849 120.500 -0.032 0.000 2.133 331 R HA -0.169 4.165 4.340 -0.009 0.000 0.247 331 R C 1.255 177.345 176.300 -0.350 0.000 1.151 331 R CA 1.316 57.419 56.100 0.004 0.000 0.971 331 R CB -0.813 29.610 30.300 0.205 0.000 0.866 331 R HN 0.597 nan 8.270 nan 0.000 0.447 332 N N -0.109 118.275 118.700 -0.526 0.000 2.609 332 N HA -0.059 4.675 4.740 -0.009 0.000 0.190 332 N C 1.070 176.041 175.510 -0.897 0.000 1.157 332 N CA 1.222 53.530 53.050 -1.237 0.000 0.918 332 N CB -0.054 38.156 38.487 -0.461 0.000 0.978 332 N HN 0.359 nan 8.380 nan 0.000 0.448 333 G N -0.948 107.539 108.800 -0.520 0.000 2.194 333 G HA2 -0.196 3.758 3.960 -0.009 0.000 0.236 333 G HA3 -0.196 3.758 3.960 -0.009 0.000 0.236 333 G C -0.387 174.385 174.900 -0.213 0.000 0.987 333 G CA 0.161 45.038 45.100 -0.372 0.000 0.635 333 G HN 0.290 nan 8.290 nan 0.000 0.520 334 I N 1.533 121.989 120.570 -0.190 0.000 2.354 334 I HA 0.501 4.665 4.170 -0.009 0.000 0.292 334 I C 0.452 176.338 176.117 -0.385 0.000 0.989 334 I CA -1.126 59.975 61.300 -0.331 0.000 1.188 334 I CB 1.384 39.097 38.000 -0.478 0.000 1.342 334 I HN -0.014 nan 8.210 nan 0.000 0.457 335 V N 8.953 128.624 119.914 -0.405 0.000 2.389 335 V HA 0.279 4.394 4.120 -0.009 0.000 0.264 335 V C -0.786 175.104 176.094 -0.341 0.000 1.049 335 V CA -0.143 61.949 62.300 -0.348 0.000 0.932 335 V CB 0.256 31.815 31.823 -0.439 0.000 1.011 335 V HN 0.454 nan 8.190 nan 0.000 0.475 336 Y N 3.737 123.963 120.300 -0.124 0.000 2.310 336 Y HA 0.595 5.140 4.550 -0.010 0.000 0.326 336 Y C 0.905 176.739 175.900 -0.109 0.000 1.151 336 Y CA -0.513 57.539 58.100 -0.080 0.000 1.195 336 Y CB 1.664 40.118 38.460 -0.010 0.000 1.210 336 Y HN 0.531 nan 8.280 nan 0.000 0.483 337 T N 4.670 119.234 114.554 0.017 0.000 2.824 337 T HA 0.644 4.989 4.350 -0.009 0.000 0.282 337 T C -1.075 173.574 174.700 -0.085 0.000 0.993 337 T CA -0.581 61.484 62.100 -0.059 0.000 0.967 337 T CB 0.803 69.615 68.868 -0.093 0.000 0.960 337 T HN 0.208 nan 8.240 nan 0.000 0.441 338 L N 2.387 123.542 121.223 -0.113 0.000 2.370 338 L HA 0.452 4.787 4.340 -0.009 0.000 0.266 338 L C 0.121 176.898 176.870 -0.154 0.000 1.002 338 L CA -0.771 53.972 54.840 -0.160 0.000 0.818 338 L CB 1.738 43.688 42.059 -0.182 0.000 1.325 338 L HN 0.603 nan 8.230 nan 0.000 0.418 339 D N 2.120 122.420 120.400 -0.166 0.000 2.434 339 D HA -0.013 4.621 4.640 -0.009 0.000 0.252 339 D C 0.936 177.145 176.300 -0.150 0.000 1.185 339 D CA -0.118 53.797 54.000 -0.143 0.000 0.886 339 D CB 1.025 41.738 40.800 -0.145 0.000 1.148 339 D HN 0.630 nan 8.370 nan 0.000 0.483 340 R N 2.758 123.218 120.500 -0.066 0.000 2.339 340 R HA -0.016 4.318 4.340 -0.009 0.000 0.199 340 R C 0.574 177.094 176.300 0.368 0.000 1.018 340 R CA 0.727 56.877 56.100 0.084 0.000 1.036 340 R CB 0.081 30.251 30.300 -0.216 0.000 0.899 340 R HN 0.435 nan 8.270 nan 0.000 0.473 341 E N 0.789 121.089 120.200 0.166 0.000 2.244 341 E HA -0.016 4.329 4.350 -0.009 0.000 0.196 341 E C 0.605 177.297 176.600 0.152 0.000 0.939 341 E CA 0.693 57.209 56.400 0.194 0.000 0.884 341 E CB 0.281 30.027 29.700 0.077 0.000 0.850 341 E HN 0.537 nan 8.360 nan 0.000 0.481 342 N N -1.119 117.514 118.700 -0.111 0.000 2.193 342 N HA 0.131 4.865 4.740 -0.009 0.000 0.210 342 N C 1.149 176.280 175.510 -0.632 0.000 1.215 342 N CA 0.694 53.605 53.050 -0.232 0.000 0.901 342 N CB 1.140 39.534 38.487 -0.156 0.000 1.060 342 N HN 0.165 nan 8.380 nan 0.000 0.508 343 G N -0.074 108.066 108.800 -1.100 0.000 2.194 343 G HA2 -0.243 3.712 3.960 -0.009 0.000 0.236 343 G HA3 -0.243 3.712 3.960 -0.009 0.000 0.236 343 G C -0.865 173.803 174.900 -0.387 0.000 0.987 343 G CA 0.024 44.457 45.100 -1.111 0.000 0.635 343 G HN 0.364 nan 8.290 nan 0.000 0.520 344 D N 0.842 121.068 120.400 -0.290 0.000 2.520 344 D HA 0.223 4.857 4.640 -0.009 0.000 0.243 344 D C 0.870 177.091 176.300 -0.132 0.000 1.160 344 D CA 0.015 53.923 54.000 -0.153 0.000 0.877 344 D CB 0.994 41.714 40.800 -0.135 0.000 1.150 344 D HN 0.335 nan 8.370 nan 0.000 0.494 345 L N 4.542 125.725 121.223 -0.066 0.000 2.530 345 L HA -0.036 4.298 4.340 -0.009 0.000 0.273 345 L C 0.658 177.471 176.870 -0.096 0.000 1.141 345 L CA 0.237 54.992 54.840 -0.142 0.000 0.905 345 L CB 0.170 42.123 42.059 -0.176 0.000 1.202 345 L HN 0.281 nan 8.230 nan 0.000 0.473 346 I N 2.068 122.577 120.570 -0.101 0.000 2.729 346 I HA 0.174 4.339 4.170 -0.009 0.000 0.256 346 I C 0.735 176.809 176.117 -0.071 0.000 1.115 346 I CA 0.565 61.817 61.300 -0.080 0.000 1.446 346 I CB -0.933 37.016 38.000 -0.084 0.000 1.176 346 I HN 0.596 nan 8.210 nan 0.000 0.446 347 S N 0.175 115.832 115.700 -0.073 0.000 2.569 347 S HA 0.824 5.288 4.470 -0.009 0.000 0.280 347 S C -0.560 173.982 174.600 -0.097 0.000 1.111 347 S CA -0.585 57.575 58.200 -0.067 0.000 0.887 347 S CB 2.853 66.025 63.200 -0.047 0.000 1.095 347 S HN 0.249 nan 8.310 nan 0.000 0.476 348 A N 2.071 124.806 122.820 -0.142 0.000 2.876 348 A HA 0.596 4.910 4.320 -0.009 0.000 0.309 348 A C -1.602 175.831 177.584 -0.252 0.000 1.168 348 A CA -0.728 51.121 52.037 -0.313 0.000 0.762 348 A CB 0.331 19.147 19.000 -0.307 0.000 1.262 348 A HN 0.606 nan 8.150 nan 0.000 0.435 349 D N 2.181 122.444 120.400 -0.228 0.000 2.192 349 D HA 0.269 4.903 4.640 -0.009 0.000 0.246 349 D C -0.185 176.016 176.300 -0.165 0.000 1.042 349 D CA -0.236 53.689 54.000 -0.124 0.000 0.847 349 D CB 1.586 42.378 40.800 -0.013 0.000 1.186 349 D HN 0.380 nan 8.370 nan 0.000 0.461 350 K N 1.489 121.834 120.400 -0.092 0.000 2.485 350 K HA 0.061 4.375 4.320 -0.009 0.000 0.277 350 K C 1.187 177.737 176.600 -0.084 0.000 0.990 350 K CA -0.091 56.142 56.287 -0.089 0.000 0.994 350 K CB 1.052 33.519 32.500 -0.054 0.000 0.906 350 K HN 0.366 nan 8.250 nan 0.000 0.488 351 L N 0.814 121.990 121.223 -0.078 0.000 2.395 351 L HA -0.057 4.277 4.340 -0.009 0.000 0.218 351 L C 0.382 177.145 176.870 -0.180 0.000 1.130 351 L CA 0.757 55.544 54.840 -0.088 0.000 0.826 351 L CB -0.016 42.040 42.059 -0.006 0.000 0.941 351 L HN 0.734 nan 8.230 nan 0.000 0.451 352 D N -2.296 118.057 120.400 -0.079 0.000 2.769 352 D HA 0.026 4.660 4.640 -0.009 0.000 0.219 352 D C -0.044 176.248 176.300 -0.013 0.000 1.245 352 D CA -0.442 53.490 54.000 -0.114 0.000 0.801 352 D CB 1.112 41.861 40.800 -0.085 0.000 1.598 352 D HN 0.028 nan 8.370 nan 0.000 0.485 353 D N 0.227 120.595 120.400 -0.052 0.000 2.263 353 D HA -0.179 4.455 4.640 -0.009 0.000 0.208 353 D C 1.612 177.910 176.300 -0.003 0.000 0.971 353 D CA 1.730 55.713 54.000 -0.028 0.000 0.867 353 D CB -0.630 40.148 40.800 -0.037 0.000 0.929 353 D HN 0.427 nan 8.370 nan 0.000 0.492 354 T N -1.920 112.665 114.554 0.052 0.000 3.025 354 T HA -0.062 4.282 4.350 -0.009 0.000 0.270 354 T C 1.026 175.718 174.700 -0.013 0.000 1.126 354 T CA 0.058 62.194 62.100 0.061 0.000 1.105 354 T CB -0.835 68.126 68.868 0.156 0.000 0.884 354 T HN 0.032 nan 8.240 nan 0.000 0.522 355 V N 4.132 124.028 119.914 -0.030 0.000 2.599 355 V HA 0.099 4.213 4.120 -0.009 0.000 0.300 355 V C 1.307 177.214 176.094 -0.311 0.000 1.034 355 V CA 0.734 62.862 62.300 -0.286 0.000 1.115 355 V CB 0.255 31.902 31.823 -0.294 0.000 0.934 355 V HN 0.849 nan 8.190 nan 0.000 0.485 356 N N 2.560 120.982 118.700 -0.465 0.000 2.118 356 N HA 0.007 4.741 4.740 -0.009 0.000 0.226 356 N C 0.870 176.143 175.510 -0.394 0.000 1.305 356 N CA 0.388 53.163 53.050 -0.459 0.000 0.890 356 N CB 0.689 38.713 38.487 -0.772 0.000 1.118 356 N HN 0.470 nan 8.380 nan 0.000 0.511 357 V N -1.770 117.794 119.914 -0.584 0.000 2.667 357 V HA 0.202 4.316 4.120 -0.009 0.000 0.252 357 V C -0.020 175.830 176.094 -0.407 0.000 1.065 357 V CA 0.711 62.626 62.300 -0.641 0.000 1.083 357 V CB -0.993 29.984 31.823 -1.410 0.000 0.692 357 V HN 0.030 nan 8.190 nan 0.000 0.468 358 F N -0.201 119.647 119.950 -0.169 0.000 2.508 358 F HA 0.645 5.166 4.527 -0.009 0.000 0.325 358 F C 1.100 176.867 175.800 -0.055 0.000 1.090 358 F CA -2.091 55.861 58.000 -0.080 0.000 0.945 358 F CB 1.706 40.641 39.000 -0.108 0.000 1.156 358 F HN -0.318 nan 8.300 nan 0.000 0.463 359 K N -0.011 120.512 120.400 0.205 0.000 2.155 359 K HA 0.062 4.376 4.320 -0.009 0.000 0.203 359 K C 0.559 177.206 176.600 0.078 0.000 1.052 359 K CA 0.911 57.264 56.287 0.109 0.000 0.948 359 K CB 0.253 32.807 32.500 0.090 0.000 0.728 359 K HN 0.761 nan 8.250 nan 0.000 0.448 360 T N -1.179 113.422 114.554 0.079 0.000 2.669 360 T HA 0.210 4.555 4.350 -0.009 0.000 0.305 360 T C -2.034 172.637 174.700 -0.048 0.000 1.838 360 T CA -0.697 61.413 62.100 0.017 0.000 0.978 360 T CB 1.142 70.014 68.868 0.006 0.000 1.851 360 T HN -0.252 nan 8.240 nan 0.000 0.503 361 V N 3.294 123.162 119.914 -0.076 0.000 2.376 361 V HA 0.400 4.515 4.120 -0.009 0.000 0.287 361 V C -0.116 175.953 176.094 -0.042 0.000 1.015 361 V CA -0.873 61.364 62.300 -0.105 0.000 0.834 361 V CB 1.440 33.186 31.823 -0.129 0.000 1.001 361 V HN 0.866 nan 8.190 nan 0.000 0.428 362 D N 4.458 124.847 120.400 -0.018 0.000 2.382 362 D HA 0.090 4.725 4.640 -0.009 0.000 0.259 362 D C 1.115 177.434 176.300 0.031 0.000 1.224 362 D CA -0.018 53.987 54.000 0.009 0.000 0.894 362 D CB 1.349 42.163 40.800 0.022 0.000 1.127 362 D HN 0.496 nan 8.370 nan 0.000 0.487 363 L N 3.759 124.992 121.223 0.017 0.000 2.191 363 L HA -0.138 4.196 4.340 -0.009 0.000 0.212 363 L C 2.411 179.323 176.870 0.070 0.000 1.103 363 L CA 0.752 55.607 54.840 0.026 0.000 0.769 363 L CB -0.297 41.759 42.059 -0.004 0.000 0.908 363 L HN 0.332 nan 8.230 nan 0.000 0.438 364 K N 0.015 120.452 120.400 0.062 0.000 2.076 364 K HA -0.062 4.252 4.320 -0.009 0.000 0.204 364 K C 2.174 178.865 176.600 0.151 0.000 1.051 364 K CA 1.789 58.110 56.287 0.057 0.000 0.949 364 K CB -0.107 32.397 32.500 0.007 0.000 0.726 364 K HN 0.418 nan 8.250 nan 0.000 0.443 365 T N -2.873 111.780 114.554 0.164 0.000 3.065 365 T HA 0.125 4.469 4.350 -0.009 0.000 0.252 365 T C 1.503 176.397 174.700 0.323 0.000 1.099 365 T CA 0.613 62.871 62.100 0.263 0.000 1.063 365 T CB 0.290 69.249 68.868 0.151 0.000 0.948 365 T HN 0.341 nan 8.240 nan 0.000 0.506 366 G N 1.545 110.495 108.800 0.250 0.000 2.175 366 G HA2 -0.254 3.701 3.960 -0.009 0.000 0.265 366 G HA3 -0.254 3.701 3.960 -0.009 0.000 0.265 366 G C 0.018 175.044 174.900 0.210 0.000 0.979 366 G CA 0.535 45.788 45.100 0.255 0.000 0.663 366 G HN 0.656 nan 8.290 nan 0.000 0.533 367 L N 1.802 123.091 121.223 0.109 0.000 2.371 367 L HA 0.400 4.734 4.340 -0.009 0.000 0.272 367 L C -1.571 175.255 176.870 -0.073 0.000 1.124 367 L CA -2.075 52.775 54.840 0.016 0.000 0.816 367 L CB 0.829 42.897 42.059 0.015 0.000 1.129 367 L HN -0.055 nan 8.230 nan 0.000 0.448 368 P HA 0.099 nan 4.420 nan 0.000 0.282 368 P C -0.669 176.462 177.300 -0.282 0.000 1.262 368 P CA -0.300 62.485 63.100 -0.525 0.000 0.773 368 P CB 1.068 31.994 31.700 -1.290 0.000 0.879 369 V N 5.407 125.238 119.914 -0.138 0.000 2.439 369 V HA 0.161 4.275 4.120 -0.009 0.000 0.271 369 V C 1.197 177.395 176.094 0.173 0.000 1.040 369 V CA -0.291 62.023 62.300 0.025 0.000 1.002 369 V CB -0.584 31.262 31.823 0.039 0.000 1.000 369 V HN 0.424 nan 8.190 nan 0.000 0.477 370 R N 2.951 123.584 120.500 0.222 0.000 2.389 370 R HA 0.221 4.556 4.340 -0.009 0.000 0.295 370 R C -0.191 176.258 176.300 0.248 0.000 1.075 370 R CA -0.512 55.797 56.100 0.349 0.000 1.005 370 R CB 0.608 31.105 30.300 0.329 0.000 0.987 370 R HN 0.634 nan 8.270 nan 0.000 0.452 371 D N 4.408 124.964 120.400 0.260 0.000 2.393 371 D HA 0.118 4.752 4.640 -0.009 0.000 0.232 371 D C -1.667 174.755 176.300 0.203 0.000 1.192 371 D CA -2.423 51.709 54.000 0.220 0.000 0.882 371 D CB 1.419 42.397 40.800 0.297 0.000 1.038 371 D HN 0.215 nan 8.370 nan 0.000 0.499 372 P HA -0.106 nan 4.420 nan 0.000 0.223 372 P C 0.982 178.285 177.300 0.006 0.000 1.144 372 P CA 0.645 63.791 63.100 0.076 0.000 0.783 372 P CB 0.332 32.048 31.700 0.026 0.000 0.771 373 E N -1.327 118.820 120.200 -0.089 0.000 2.285 373 E HA -0.133 4.211 4.350 -0.009 0.000 0.194 373 E C 0.342 176.699 176.600 -0.405 0.000 0.997 373 E CA 0.719 56.925 56.400 -0.324 0.000 0.845 373 E CB -0.037 29.343 29.700 -0.532 0.000 0.782 373 E HN 0.322 nan 8.360 nan 0.000 0.491 374 Y N -0.677 119.706 120.300 0.138 0.000 2.658 374 Y HA 0.346 4.891 4.550 -0.009 0.000 0.276 374 Y C 0.837 176.932 175.900 0.325 0.000 1.167 374 Y CA -0.155 58.044 58.100 0.165 0.000 1.230 374 Y CB 0.760 39.248 38.460 0.047 0.000 1.144 374 Y HN -0.051 nan 8.280 nan 0.000 0.529 375 G N 0.147 109.169 108.800 0.369 0.000 2.537 375 G HA2 0.490 4.444 3.960 -0.009 0.000 0.297 375 G HA3 0.490 4.444 3.960 -0.009 0.000 0.297 375 G C -0.268 174.672 174.900 0.066 0.000 1.310 375 G CA -0.352 44.933 45.100 0.309 0.000 1.027 375 G HN 0.120 nan 8.290 nan 0.000 0.505 376 T N -2.719 111.663 114.554 -0.288 0.000 2.924 376 T HA 0.814 5.158 4.350 -0.009 0.000 0.291 376 T C -0.354 174.296 174.700 -0.083 0.000 1.045 376 T CA -0.836 61.128 62.100 -0.227 0.000 1.015 376 T CB 2.248 70.635 68.868 -0.802 0.000 1.103 376 T HN 1.107 nan 8.240 nan 0.000 0.496 377 R N 0.965 121.535 120.500 0.116 0.000 2.741 377 R HA 0.458 4.792 4.340 -0.009 0.000 0.276 377 R C -0.885 175.531 176.300 0.193 0.000 1.028 377 R CA -1.169 54.998 56.100 0.112 0.000 0.865 377 R CB 0.782 31.118 30.300 0.060 0.000 1.268 377 R HN 0.480 nan 8.270 nan 0.000 0.475 378 M N 1.872 121.561 119.600 0.148 0.000 2.250 378 M HA 0.054 4.528 4.480 -0.009 0.000 0.325 378 M C -0.252 176.150 176.300 0.170 0.000 1.084 378 M CA 1.202 56.597 55.300 0.158 0.000 1.161 378 M CB -0.320 32.350 32.600 0.118 0.000 1.481 378 M HN 0.809 nan 8.290 nan 0.000 0.449 379 D N 0.827 121.332 120.400 0.175 0.000 2.837 379 D HA -0.219 4.416 4.640 -0.009 0.000 0.230 379 D C -0.082 176.351 176.300 0.222 0.000 1.152 379 D CA 1.060 55.159 54.000 0.165 0.000 0.736 379 D CB -1.445 39.428 40.800 0.122 0.000 1.084 379 D HN 0.758 nan 8.370 nan 0.000 0.429 380 H N -0.573 118.576 119.070 0.132 0.000 3.046 380 H HA 0.423 4.973 4.556 -0.009 0.000 0.363 380 H C -1.200 174.236 175.328 0.180 0.000 1.203 380 H CA -0.882 55.240 56.048 0.122 0.000 1.169 380 H CB 2.103 31.923 29.762 0.097 0.000 1.851 380 H HN -0.062 nan 8.280 nan 0.000 0.546 381 K N 2.969 123.100 120.400 -0.448 0.000 2.394 381 K HA 0.419 4.733 4.320 -0.009 0.000 0.260 381 K C -0.542 175.653 176.600 -0.676 0.000 0.967 381 K CA -0.606 55.500 56.287 -0.301 0.000 0.855 381 K CB 1.266 33.690 32.500 -0.128 0.000 1.101 381 K HN 0.649 nan 8.250 nan 0.000 0.433 382 G N 2.379 111.015 108.800 -0.272 0.000 2.390 382 G HA2 0.330 4.284 3.960 -0.009 0.000 0.270 382 G HA3 0.330 4.284 3.960 -0.009 0.000 0.270 382 G C -0.480 174.506 174.900 0.142 0.000 1.211 382 G CA -0.363 44.734 45.100 -0.005 0.000 0.842 382 G HN 0.658 nan 8.290 nan 0.000 0.519 383 T N -0.660 113.999 114.554 0.175 0.000 2.908 383 T HA 0.470 4.814 4.350 -0.009 0.000 0.290 383 T C -0.070 174.834 174.700 0.339 0.000 1.034 383 T CA -0.622 61.609 62.100 0.219 0.000 1.010 383 T CB 1.918 70.850 68.868 0.107 0.000 1.068 383 T HN 0.582 nan 8.240 nan 0.000 0.481 384 D N 0.336 120.951 120.400 0.358 0.000 2.811 384 D HA -0.142 4.493 4.640 -0.009 0.000 0.231 384 D C -0.334 176.086 176.300 0.200 0.000 1.157 384 D CA 0.462 54.657 54.000 0.326 0.000 0.716 384 D CB -0.956 40.000 40.800 0.260 0.000 1.077 384 D HN 0.647 nan 8.370 nan 0.000 0.428 385 I N 0.972 121.673 120.570 0.219 0.000 2.452 385 I HA 0.015 4.179 4.170 -0.009 0.000 0.287 385 I C 0.786 176.841 176.117 -0.104 0.000 1.079 385 I CA 0.167 61.507 61.300 0.067 0.000 1.387 385 I CB 0.752 38.871 38.000 0.199 0.000 1.404 385 I HN 0.044 nan 8.210 nan 0.000 0.522 386 c N 7.613 126.026 118.600 -0.313 0.000 2.441 386 c HA 0.496 5.060 4.570 -0.009 0.000 0.318 386 c C -2.201 171.478 174.090 -0.685 0.000 1.222 386 c CA -1.458 54.623 56.329 -0.413 0.000 1.474 386 c CB 1.585 43.907 42.510 -0.313 0.000 2.125 386 c HN 0.459 nan 8.230 nan 0.000 0.479 387 P HA 0.229 nan 4.420 nan 0.000 0.274 387 P C -0.099 177.168 177.300 -0.056 0.000 1.256 387 P CA -0.045 62.638 63.100 -0.695 0.000 0.795 387 P CB 0.541 31.782 31.700 -0.764 0.000 1.038 388 S N -0.137 115.613 115.700 0.082 0.000 2.652 388 S HA 0.394 4.858 4.470 -0.009 0.000 0.267 388 S C 1.488 176.298 174.600 0.352 0.000 1.201 388 S CA 0.113 58.423 58.200 0.182 0.000 0.996 388 S CB -0.211 63.055 63.200 0.110 0.000 1.054 388 S HN 0.447 nan 8.310 nan 0.000 0.561 389 A N 0.484 123.500 122.820 0.325 0.000 1.940 389 A HA -0.090 4.225 4.320 -0.009 0.000 0.219 389 A C 2.199 180.069 177.584 0.476 0.000 1.176 389 A CA 1.784 54.041 52.037 0.366 0.000 0.631 389 A CB -1.136 18.125 19.000 0.435 0.000 0.814 389 A HN 0.832 nan 8.150 nan 0.000 0.446 390 M N -0.760 119.013 119.600 0.289 0.000 2.632 390 M HA 0.134 4.609 4.480 -0.009 0.000 0.256 390 M C 1.074 177.624 176.300 0.417 0.000 1.080 390 M CA 0.754 56.243 55.300 0.315 0.000 1.084 390 M CB -0.626 32.024 32.600 0.084 0.000 1.439 390 M HN 0.631 nan 8.290 nan 0.000 0.509 391 G N -0.529 108.497 108.800 0.376 0.000 2.733 391 G HA2 -0.264 3.691 3.960 -0.009 0.000 0.686 391 G HA3 -0.264 3.691 3.960 -0.009 0.000 0.686 391 G C -0.270 174.809 174.900 0.300 0.000 1.373 391 G CA -0.726 44.540 45.100 0.277 0.000 0.838 391 G HN 0.500 nan 8.290 nan 0.000 0.588 392 Y N 0.314 120.615 120.300 0.002 0.000 2.578 392 Y HA 0.090 4.634 4.550 -0.010 0.000 0.297 392 Y C 1.440 177.385 175.900 0.074 0.000 1.176 392 Y CA 0.645 58.757 58.100 0.019 0.000 1.315 392 Y CB 0.269 38.698 38.460 -0.051 0.000 1.031 392 Y HN 0.634 nan 8.280 nan 0.000 0.524 393 H N -0.522 118.609 119.070 0.101 0.000 3.038 393 H HA 0.241 4.791 4.556 -0.009 0.000 0.362 393 H C -1.250 174.049 175.328 -0.047 0.000 1.167 393 H CA -0.449 55.605 56.048 0.008 0.000 1.197 393 H CB 1.918 31.655 29.762 -0.041 0.000 1.840 393 H HN 0.083 nan 8.280 nan 0.000 0.540 394 N N 0.579 119.170 118.700 -0.182 0.000 3.223 394 N HA -0.030 4.705 4.740 -0.009 0.000 0.350 394 N C 0.579 176.064 175.510 -0.043 0.000 1.425 394 N CA -0.073 52.839 53.050 -0.231 0.000 0.668 394 N CB 0.990 38.885 38.487 -0.986 0.000 1.435 394 N HN 0.648 nan 8.380 nan 0.000 0.569 395 Q N -0.207 119.541 119.800 -0.088 0.000 2.466 395 Q HA 0.261 4.596 4.340 -0.009 0.000 0.210 395 Q C 0.494 176.803 176.000 0.514 0.000 0.961 395 Q CA 0.034 55.989 55.803 0.253 0.000 0.953 395 Q CB -0.685 28.274 28.738 0.369 0.000 1.011 395 Q HN 0.441 nan 8.270 nan 0.000 0.516 396 G N 0.385 109.324 108.800 0.233 0.000 2.378 396 G HA2 0.124 4.078 3.960 -0.009 0.000 0.255 396 G HA3 0.124 4.078 3.960 -0.009 0.000 0.255 396 G C -1.455 173.648 174.900 0.340 0.000 1.270 396 G CA -0.498 44.800 45.100 0.330 0.000 0.876 396 G HN 0.554 nan 8.290 nan 0.000 0.521 397 H N 2.190 121.319 119.070 0.099 0.000 2.761 397 H HA 0.258 4.808 4.556 -0.009 0.000 0.284 397 H C -0.143 175.131 175.328 -0.089 0.000 1.105 397 H CA -0.782 55.057 56.048 -0.349 0.000 1.352 397 H CB 0.405 29.470 29.762 -1.162 0.000 1.423 397 H HN 0.385 nan 8.280 nan 0.000 0.464 398 D N 1.848 122.284 120.400 0.061 0.000 2.414 398 D HA 0.102 4.736 4.640 -0.009 0.000 0.251 398 D C 0.077 176.570 176.300 0.321 0.000 1.252 398 D CA -0.042 54.102 54.000 0.240 0.000 0.999 398 D CB 1.070 42.016 40.800 0.243 0.000 1.093 398 D HN 0.621 nan 8.370 nan 0.000 0.515 399 S N -0.861 115.093 115.700 0.423 0.000 2.600 399 S HA 0.598 5.063 4.470 -0.009 0.000 0.300 399 S C -1.273 173.645 174.600 0.530 0.000 1.087 399 S CA -0.894 57.593 58.200 0.478 0.000 0.965 399 S CB 1.690 65.193 63.200 0.506 0.000 1.089 399 S HN 0.457 nan 8.310 nan 0.000 0.496 400 Y N 1.179 121.649 120.300 0.282 0.000 2.373 400 Y HA 0.506 5.049 4.550 -0.011 0.000 0.336 400 Y C -1.386 174.473 175.900 -0.069 0.000 0.979 400 Y CA -0.861 57.227 58.100 -0.020 0.000 1.080 400 Y CB 1.689 40.059 38.460 -0.150 0.000 1.190 400 Y HN 0.836 nan 8.280 nan 0.000 0.446 401 D N 8.181 128.146 120.400 -0.726 0.000 2.359 401 D HA 0.302 4.936 4.640 -0.009 0.000 0.230 401 D C -2.211 173.254 176.300 -1.391 0.000 1.118 401 D CA -2.410 51.027 54.000 -0.938 0.000 0.844 401 D CB 2.264 42.890 40.800 -0.290 0.000 1.059 401 D HN 0.376 nan 8.370 nan 0.000 0.493 402 P HA -0.065 nan 4.420 nan 0.000 0.222 402 P C 1.303 178.335 177.300 -0.448 0.000 1.153 402 P CA 0.584 63.260 63.100 -0.707 0.000 0.798 402 P CB 0.542 32.078 31.700 -0.273 0.000 0.796 403 Q N 0.834 120.380 119.800 -0.424 0.000 2.002 403 Q HA -0.155 4.179 4.340 -0.009 0.000 0.204 403 Q C 1.785 177.656 176.000 -0.214 0.000 0.988 403 Q CA 1.753 57.427 55.803 -0.214 0.000 0.843 403 Q CB -0.813 27.869 28.738 -0.093 0.000 0.908 403 Q HN 0.399 nan 8.270 nan 0.000 0.420 404 K N 0.543 120.784 120.400 -0.266 0.000 2.459 404 K HA 0.040 4.355 4.320 -0.009 0.000 0.193 404 K C 0.139 176.564 176.600 -0.292 0.000 1.030 404 K CA -0.062 56.105 56.287 -0.200 0.000 1.026 404 K CB 0.217 32.655 32.500 -0.103 0.000 0.809 404 K HN 0.208 nan 8.250 nan 0.000 0.504 405 Q N 0.593 120.123 119.800 -0.450 0.000 2.434 405 Q HA -0.190 4.144 4.340 -0.009 0.000 0.299 405 Q C -0.987 174.705 176.000 -0.513 0.000 1.286 405 Q CA 0.493 56.023 55.803 -0.455 0.000 0.872 405 Q CB -1.690 26.938 28.738 -0.184 0.000 1.193 405 Q HN 0.392 nan 8.270 nan 0.000 0.466 406 L N 0.375 121.150 121.223 -0.746 0.000 2.346 406 L HA 0.590 4.925 4.340 -0.009 0.000 0.276 406 L C -0.157 176.136 176.870 -0.961 0.000 1.006 406 L CA -0.798 53.582 54.840 -0.767 0.000 0.817 406 L CB 1.016 42.616 42.059 -0.764 0.000 1.272 406 L HN -0.019 nan 8.230 nan 0.000 0.421 407 F N 2.060 121.760 119.950 -0.418 0.000 2.408 407 F HA 0.408 4.929 4.527 -0.010 0.000 0.344 407 F C -0.219 175.320 175.800 -0.434 0.000 1.112 407 F CA -0.319 57.554 58.000 -0.212 0.000 1.096 407 F CB 0.926 39.959 39.000 0.055 0.000 1.129 407 F HN 0.135 nan 8.300 nan 0.000 0.486 408 F N 3.947 124.061 119.950 0.273 0.000 2.313 408 F HA 0.464 4.986 4.527 -0.009 0.000 0.369 408 F C -0.078 175.841 175.800 0.198 0.000 1.109 408 F CA -0.617 57.485 58.000 0.170 0.000 1.132 408 F CB 0.625 39.750 39.000 0.209 0.000 1.291 408 F HN 0.218 nan 8.300 nan 0.000 0.496 409 M N 2.815 122.568 119.600 0.255 0.000 2.205 409 M HA 0.458 4.932 4.480 -0.009 0.000 0.344 409 M C 0.437 176.835 176.300 0.163 0.000 1.085 409 M CA -0.555 54.892 55.300 0.246 0.000 1.001 409 M CB 1.694 34.421 32.600 0.211 0.000 1.626 409 M HN 0.685 nan 8.290 nan 0.000 0.442 410 G N 4.305 113.192 108.800 0.145 0.000 2.327 410 G HA2 0.636 4.591 3.960 -0.009 0.000 0.302 410 G HA3 0.636 4.591 3.960 -0.009 0.000 0.302 410 G C -0.728 174.117 174.900 -0.091 0.000 1.113 410 G CA -0.368 44.743 45.100 0.019 0.000 0.921 410 G HN 0.670 nan 8.290 nan 0.000 0.425 411 I N 1.910 122.465 120.570 -0.025 0.000 2.750 411 I HA 0.348 4.512 4.170 -0.009 0.000 0.308 411 I C -0.567 175.570 176.117 0.034 0.000 1.016 411 I CA -1.193 60.091 61.300 -0.027 0.000 1.098 411 I CB 2.201 40.193 38.000 -0.013 0.000 1.279 411 I HN 0.351 nan 8.210 nan 0.000 0.454 412 N N 2.025 120.767 118.700 0.071 0.000 2.430 412 N HA 0.334 5.069 4.740 -0.009 0.000 0.298 412 N C -1.033 174.480 175.510 0.006 0.000 1.130 412 N CA -0.561 52.594 53.050 0.175 0.000 0.894 412 N CB 1.305 39.999 38.487 0.345 0.000 1.209 412 N HN 0.509 nan 8.380 nan 0.000 0.503 413 H N 0.428 119.438 119.070 -0.099 0.000 2.488 413 H HA 0.530 5.081 4.556 -0.009 0.000 0.237 413 H C -1.364 173.932 175.328 -0.053 0.000 1.395 413 H CA -0.232 55.640 56.048 -0.292 0.000 1.491 413 H CB -0.416 29.189 29.762 -0.261 0.000 1.567 413 H HN 0.446 nan 8.280 nan 0.000 0.508 414 I N 3.029 123.593 120.570 -0.010 0.000 2.497 414 I HA 0.260 4.424 4.170 -0.009 0.000 0.284 414 I C -0.271 175.865 176.117 0.033 0.000 1.060 414 I CA -0.480 60.829 61.300 0.015 0.000 1.071 414 I CB 1.298 39.372 38.000 0.123 0.000 1.216 414 I HN 0.433 nan 8.210 nan 0.000 0.442 415 c N 6.000 124.531 118.600 -0.114 0.000 2.464 415 c HA 0.832 5.396 4.570 -0.009 0.000 0.398 415 c C 0.176 173.971 174.090 -0.492 0.000 1.451 415 c CA -0.488 55.749 56.329 -0.152 0.000 1.986 415 c CB 1.350 43.884 42.510 0.041 0.000 2.004 415 c HN 0.864 nan 8.230 nan 0.000 0.530 416 M N 0.189 119.637 119.600 -0.254 0.000 2.682 416 M HA 0.583 5.057 4.480 -0.009 0.000 0.272 416 M C -2.456 173.996 176.300 0.252 0.000 1.232 416 M CA -0.322 54.878 55.300 -0.166 0.000 0.849 416 M CB 1.893 34.559 32.600 0.110 0.000 1.695 416 M HN 0.367 nan 8.290 nan 0.000 0.481 417 D N 1.177 121.837 120.400 0.432 0.000 2.272 417 D HA 0.690 5.324 4.640 -0.009 0.000 0.247 417 D C -1.769 174.964 176.300 0.720 0.000 0.990 417 D CA 0.458 54.760 54.000 0.504 0.000 0.931 417 D CB 2.075 43.117 40.800 0.404 0.000 1.195 417 D HN 0.662 nan 8.370 nan 0.000 0.477 418 W N 2.022 123.572 121.300 0.417 0.000 3.775 418 W HA 0.268 4.923 4.660 -0.009 0.000 0.315 418 W C -1.874 174.825 176.519 0.300 0.000 1.169 418 W CA -0.477 57.092 57.345 0.374 0.000 1.266 418 W CB 0.814 30.430 29.460 0.261 0.000 1.269 418 W HN 0.430 nan 8.180 nan 0.000 0.471 419 E N 8.404 128.857 120.200 0.423 0.000 2.241 419 E HA 0.490 4.834 4.350 -0.009 0.000 0.263 419 E C -2.482 174.227 176.600 0.182 0.000 0.882 419 E CA -1.978 54.653 56.400 0.384 0.000 0.769 419 E CB 2.988 32.916 29.700 0.380 0.000 1.185 419 E HN -0.036 nan 8.360 nan 0.000 0.415 420 P HA 0.331 nan 4.420 nan 0.000 0.278 420 P C -1.011 176.374 177.300 0.142 0.000 1.266 420 P CA -0.392 62.754 63.100 0.075 0.000 0.807 420 P CB 0.532 32.349 31.700 0.195 0.000 1.094 421 F N -2.366 117.591 119.950 0.011 0.000 2.631 421 F HA 0.541 5.062 4.527 -0.009 0.000 0.308 421 F C -0.680 175.127 175.800 0.011 0.000 1.097 421 F CA -1.652 56.357 58.000 0.014 0.000 0.952 421 F CB 0.662 39.654 39.000 -0.014 0.000 1.307 421 F HN -0.048 nan 8.300 nan 0.000 0.450 422 M N 4.256 123.976 119.600 0.199 0.000 2.228 422 M HA 0.551 5.025 4.480 -0.009 0.000 0.351 422 M C -0.446 175.974 176.300 0.200 0.000 1.233 422 M CA -0.264 55.117 55.300 0.134 0.000 1.129 422 M CB 0.673 33.352 32.600 0.133 0.000 1.604 422 M HN 0.842 nan 8.290 nan 0.000 0.457 423 L N 2.525 123.840 121.223 0.152 0.000 2.506 423 L HA 0.832 5.166 4.340 -0.009 0.000 0.257 423 L C -2.845 174.169 176.870 0.241 0.000 0.964 423 L CA -1.678 53.283 54.840 0.202 0.000 0.836 423 L CB 2.049 44.222 42.059 0.189 0.000 1.384 423 L HN 0.396 nan 8.230 nan 0.000 0.410 424 P HA 0.245 nan 4.420 nan 0.000 0.278 424 P C -1.621 175.834 177.300 0.258 0.000 1.258 424 P CA -0.200 63.022 63.100 0.203 0.000 0.811 424 P CB 0.773 32.532 31.700 0.099 0.000 1.063 425 Y N 1.592 121.878 120.300 -0.024 0.000 2.336 425 Y HA 0.370 4.914 4.550 -0.009 0.000 0.335 425 Y C 0.202 175.985 175.900 -0.196 0.000 1.046 425 Y CA -0.171 57.726 58.100 -0.338 0.000 1.198 425 Y CB 0.718 38.759 38.460 -0.698 0.000 1.182 425 Y HN 0.194 nan 8.280 nan 0.000 0.502 426 R N 5.255 125.255 120.500 -0.833 0.000 2.473 426 R HA 0.483 4.817 4.340 -0.009 0.000 0.303 426 R C -1.052 174.659 176.300 -0.982 0.000 1.002 426 R CA -0.661 55.014 56.100 -0.708 0.000 0.884 426 R CB 1.231 31.339 30.300 -0.320 0.000 1.173 426 R HN 0.913 nan 8.270 nan 0.000 0.464 427 A N 1.337 123.547 122.820 -1.015 0.000 2.573 427 A HA 0.314 4.628 4.320 -0.009 0.000 0.250 427 A C 1.290 178.667 177.584 -0.345 0.000 1.049 427 A CA 1.475 53.144 52.037 -0.613 0.000 0.767 427 A CB -0.282 18.565 19.000 -0.254 0.000 0.965 427 A HN 1.061 nan 8.150 nan 0.000 0.514 428 G N 1.355 109.989 108.800 -0.277 0.000 2.194 428 G HA2 -0.182 3.772 3.960 -0.009 0.000 0.236 428 G HA3 -0.182 3.772 3.960 -0.009 0.000 0.236 428 G C 0.150 174.919 174.900 -0.217 0.000 0.987 428 G CA 0.351 45.328 45.100 -0.206 0.000 0.635 428 G HN 0.947 nan 8.290 nan 0.000 0.520 429 Q N -0.434 119.225 119.800 -0.235 0.000 2.180 429 Q HA 0.672 5.006 4.340 -0.009 0.000 0.241 429 Q C 0.043 175.936 176.000 -0.179 0.000 0.970 429 Q CA -0.838 54.875 55.803 -0.149 0.000 0.919 429 Q CB 0.949 29.636 28.738 -0.086 0.000 1.222 429 Q HN 0.192 nan 8.270 nan 0.000 0.482 430 F N 0.761 120.685 119.950 -0.043 0.000 2.496 430 F HA 0.052 4.573 4.527 -0.010 0.000 0.344 430 F C 0.580 176.444 175.800 0.107 0.000 1.155 430 F CA 0.374 58.364 58.000 -0.017 0.000 1.302 430 F CB 0.289 39.228 39.000 -0.102 0.000 1.159 430 F HN 0.442 nan 8.300 nan 0.000 0.595 431 F N 2.920 122.900 119.950 0.050 0.000 2.577 431 F HA 0.377 4.898 4.527 -0.009 0.000 0.359 431 F C -0.618 175.160 175.800 -0.038 0.000 1.535 431 F CA -0.458 57.569 58.000 0.045 0.000 1.093 431 F CB -0.469 38.626 39.000 0.157 0.000 1.613 431 F HN 0.168 nan 8.300 nan 0.000 0.558 432 V N 1.048 120.765 119.914 -0.329 0.000 2.423 432 V HA 0.338 4.453 4.120 -0.009 0.000 0.233 432 V C 1.853 177.499 176.094 -0.747 0.000 1.067 432 V CA 1.258 63.129 62.300 -0.714 0.000 1.073 432 V CB -0.836 30.434 31.823 -0.922 0.000 0.715 432 V HN 0.757 nan 8.190 nan 0.000 0.485 433 G N 0.079 108.357 108.800 -0.869 0.000 2.137 433 G HA2 0.094 4.048 3.960 -0.009 0.000 0.237 433 G HA3 0.094 4.048 3.960 -0.009 0.000 0.237 433 G C -0.024 174.025 174.900 -1.418 0.000 1.002 433 G CA 0.416 44.660 45.100 -1.427 0.000 0.702 433 G HN 1.350 nan 8.290 nan 0.000 0.515 434 A N -1.446 120.771 122.820 -1.005 0.000 2.594 434 A HA 0.938 5.252 4.320 -0.009 0.000 0.291 434 A C -0.334 177.072 177.584 -0.297 0.000 1.105 434 A CA 0.236 51.888 52.037 -0.641 0.000 0.694 434 A CB 1.466 19.878 19.000 -0.980 0.000 1.291 434 A HN 0.896 nan 8.150 nan 0.000 0.410 435 T N 1.413 115.801 114.554 -0.276 0.000 2.840 435 T HA 0.575 4.920 4.350 -0.009 0.000 0.287 435 T C -1.058 173.326 174.700 -0.527 0.000 0.991 435 T CA -0.167 61.710 62.100 -0.372 0.000 0.964 435 T CB 0.574 69.221 68.868 -0.368 0.000 0.954 435 T HN 0.378 nan 8.240 nan 0.000 0.438 436 L N 2.715 123.646 121.223 -0.487 0.000 2.330 436 L HA 0.627 4.961 4.340 -0.009 0.000 0.271 436 L C -0.715 175.988 176.870 -0.277 0.000 1.013 436 L CA -0.829 53.918 54.840 -0.154 0.000 0.816 436 L CB 1.242 43.358 42.059 0.095 0.000 1.287 436 L HN 0.610 nan 8.230 nan 0.000 0.435 437 W N 4.204 125.600 121.300 0.160 0.000 2.600 437 W HA 0.617 5.272 4.660 -0.010 0.000 0.325 437 W C -0.735 175.829 176.519 0.075 0.000 1.034 437 W CA -0.590 56.866 57.345 0.184 0.000 1.226 437 W CB 1.789 31.406 29.460 0.262 0.000 1.379 437 W HN 0.295 nan 8.180 nan 0.000 0.466 438 M N 3.903 123.623 119.600 0.200 0.000 2.644 438 M HA 0.597 5.072 4.480 -0.009 0.000 0.304 438 M C -1.179 175.102 176.300 -0.031 0.000 1.215 438 M CA -0.889 54.310 55.300 -0.168 0.000 0.871 438 M CB 2.447 35.029 32.600 -0.030 0.000 1.740 438 M HN 0.419 nan 8.290 nan 0.000 0.464 439 Y N -1.977 118.367 120.300 0.073 0.000 2.750 439 Y HA 0.645 5.190 4.550 -0.010 0.000 0.335 439 Y C -3.237 172.532 175.900 -0.218 0.000 1.252 439 Y CA -2.788 55.207 58.100 -0.176 0.000 1.064 439 Y CB -0.389 37.914 38.460 -0.260 0.000 1.321 439 Y HN 0.366 nan 8.280 nan 0.000 0.451 440 P HA 0.231 nan 4.420 nan 0.000 0.269 440 P C 0.279 177.567 177.300 -0.020 0.000 1.209 440 P CA 0.515 63.559 63.100 -0.092 0.000 0.776 440 P CB 0.783 32.399 31.700 -0.140 0.000 0.876 441 G N 3.058 111.717 108.800 -0.234 0.000 2.611 441 G HA2 0.110 4.065 3.960 -0.009 0.000 0.273 441 G HA3 0.110 4.065 3.960 -0.009 0.000 0.273 441 G C -1.567 173.324 174.900 -0.015 0.000 1.305 441 G CA -1.023 43.861 45.100 -0.359 0.000 1.010 441 G HN 0.314 nan 8.290 nan 0.000 0.509 442 P HA -0.106 nan 4.420 nan 0.000 0.217 442 P C 1.325 178.725 177.300 0.167 0.000 1.148 442 P CA 1.509 64.680 63.100 0.117 0.000 0.834 442 P CB 0.153 31.899 31.700 0.077 0.000 0.783 443 K N -1.255 119.352 120.400 0.345 0.000 2.417 443 K HA 0.237 4.551 4.320 -0.009 0.000 0.196 443 K C 1.243 177.806 176.600 -0.063 0.000 1.023 443 K CA -0.068 56.218 56.287 -0.002 0.000 1.122 443 K CB 0.293 32.634 32.500 -0.265 0.000 0.850 443 K HN 0.155 nan 8.250 nan 0.000 0.521 444 G N 0.585 109.419 108.800 0.057 0.000 2.938 444 G HA2 0.052 4.006 3.960 -0.009 0.000 0.258 444 G HA3 0.052 4.006 3.960 -0.009 0.000 0.258 444 G C -1.199 173.682 174.900 -0.031 0.000 1.356 444 G CA -0.352 44.749 45.100 0.001 0.000 1.052 444 G HN -0.015 nan 8.290 nan 0.000 0.550 445 D N -0.520 119.838 120.400 -0.069 0.000 2.500 445 D HA 0.156 4.791 4.640 -0.009 0.000 0.219 445 D C 1.447 177.678 176.300 -0.114 0.000 1.137 445 D CA -0.457 53.499 54.000 -0.072 0.000 0.946 445 D CB 0.729 41.493 40.800 -0.059 0.000 1.022 445 D HN 0.406 nan 8.370 nan 0.000 0.518 446 R N 1.962 122.390 120.500 -0.120 0.000 2.120 446 R HA -0.178 4.156 4.340 -0.009 0.000 0.234 446 R C 1.223 177.419 176.300 -0.173 0.000 1.123 446 R CA 1.525 57.501 56.100 -0.207 0.000 0.975 446 R CB 0.390 30.579 30.300 -0.185 0.000 0.866 446 R HN 0.273 nan 8.270 nan 0.000 0.446 447 Q N -0.209 119.561 119.800 -0.050 0.000 2.172 447 Q HA 0.010 4.344 4.340 -0.009 0.000 0.200 447 Q C 0.927 177.025 176.000 0.162 0.000 0.964 447 Q CA 1.218 57.051 55.803 0.050 0.000 0.855 447 Q CB 0.251 29.009 28.738 0.034 0.000 0.918 447 Q HN 0.336 nan 8.270 nan 0.000 0.444 448 N N -1.164 117.608 118.700 0.121 0.000 2.205 448 N HA 0.069 4.803 4.740 -0.009 0.000 0.201 448 N C -0.795 174.872 175.510 0.261 0.000 1.128 448 N CA -0.018 53.138 53.050 0.177 0.000 0.867 448 N CB 0.650 39.193 38.487 0.094 0.000 0.996 448 N HN 0.178 nan 8.380 nan 0.000 0.503 449 Y N 0.532 120.837 120.300 0.008 0.000 3.178 449 Y HA -0.233 4.312 4.550 -0.009 0.000 0.200 449 Y C -0.365 175.498 175.900 -0.062 0.000 1.427 449 Y CA 0.169 58.268 58.100 -0.001 0.000 1.250 449 Y CB -1.698 36.786 38.460 0.041 0.000 1.421 449 Y HN 0.076 nan 8.280 nan 0.000 0.506 450 L N -0.560 120.611 121.223 -0.087 0.000 2.303 450 L HA 0.855 5.189 4.340 -0.009 0.000 0.256 450 L C 0.900 177.626 176.870 -0.241 0.000 1.034 450 L CA -0.766 53.918 54.840 -0.260 0.000 0.832 450 L CB 2.206 44.123 42.059 -0.238 0.000 1.403 450 L HN 0.229 nan 8.230 nan 0.000 0.419 451 G N 1.314 109.930 108.800 -0.306 0.000 2.467 451 G HA2 -0.152 3.803 3.960 -0.009 0.000 0.242 451 G HA3 -0.152 3.803 3.960 -0.009 0.000 0.242 451 G C -0.073 174.770 174.900 -0.096 0.000 1.127 451 G CA -0.505 44.487 45.100 -0.180 0.000 0.924 451 G HN 0.314 nan 8.290 nan 0.000 0.499 452 L N -0.278 120.886 121.223 -0.098 0.000 2.693 452 L HA 0.389 4.723 4.340 -0.009 0.000 0.235 452 L C 1.430 178.387 176.870 0.146 0.000 1.127 452 L CA 1.328 56.186 54.840 0.030 0.000 0.914 452 L CB -0.206 41.839 42.059 -0.022 0.000 1.193 452 L HN 0.553 nan 8.230 nan 0.000 0.502 453 G N -0.197 108.662 108.800 0.098 0.000 2.569 453 G HA2 0.686 4.640 3.960 -0.009 0.000 0.300 453 G HA3 0.686 4.640 3.960 -0.009 0.000 0.300 453 G C -0.967 173.937 174.900 0.008 0.000 1.269 453 G CA -0.186 44.982 45.100 0.113 0.000 0.959 453 G HN 0.124 nan 8.290 nan 0.000 0.478 454 Q N -1.000 118.798 119.800 -0.003 0.000 2.456 454 Q HA 0.604 4.938 4.340 -0.009 0.000 0.284 454 Q C -1.612 174.390 176.000 0.004 0.000 1.061 454 Q CA -0.800 54.986 55.803 -0.028 0.000 0.799 454 Q CB 3.273 31.941 28.738 -0.118 0.000 1.445 454 Q HN 0.547 nan 8.270 nan 0.000 0.411 455 I N 0.305 120.907 120.570 0.054 0.000 2.545 455 I HA 0.506 4.670 4.170 -0.009 0.000 0.292 455 I C -1.796 174.451 176.117 0.216 0.000 1.040 455 I CA -0.120 61.224 61.300 0.073 0.000 1.068 455 I CB 1.340 39.283 38.000 -0.095 0.000 1.251 455 I HN 0.478 nan 8.210 nan 0.000 0.424 456 K N 5.801 126.255 120.400 0.091 0.000 2.527 456 K HA 0.828 5.142 4.320 -0.009 0.000 0.260 456 K C -1.628 174.797 176.600 -0.292 0.000 0.937 456 K CA -1.022 55.230 56.287 -0.059 0.000 0.826 456 K CB 2.185 34.718 32.500 0.055 0.000 1.359 456 K HN 0.589 nan 8.250 nan 0.000 0.434 457 A N 1.791 124.189 122.820 -0.703 0.000 2.342 457 A HA 0.669 4.984 4.320 -0.009 0.000 0.323 457 A C -1.853 175.503 177.584 -0.380 0.000 1.125 457 A CA -0.487 51.099 52.037 -0.753 0.000 0.785 457 A CB 0.743 18.975 19.000 -1.280 0.000 1.221 457 A HN 0.670 nan 8.150 nan 0.000 0.463 458 Y N 2.733 122.748 120.300 -0.475 0.000 2.504 458 Y HA 0.524 5.070 4.550 -0.008 0.000 0.344 458 Y C -1.175 174.575 175.900 -0.250 0.000 1.023 458 Y CA -1.466 56.353 58.100 -0.469 0.000 1.020 458 Y CB 1.740 39.957 38.460 -0.404 0.000 1.282 458 Y HN 0.671 nan 8.280 nan 0.000 0.454 459 N N 3.739 121.945 118.700 -0.822 0.000 2.392 459 N HA 0.419 5.153 4.740 -0.009 0.000 0.283 459 N C -0.029 174.913 175.510 -0.947 0.000 1.003 459 N CA 0.451 53.110 53.050 -0.650 0.000 0.892 459 N CB 2.236 40.492 38.487 -0.384 0.000 1.193 459 N HN 0.925 nan 8.380 nan 0.000 0.487 460 A N 4.366 126.854 122.820 -0.555 0.000 2.119 460 A HA 0.001 4.315 4.320 -0.009 0.000 0.217 460 A C 1.728 179.143 177.584 -0.281 0.000 1.153 460 A CA 0.764 52.505 52.037 -0.494 0.000 0.692 460 A CB -0.126 18.817 19.000 -0.095 0.000 0.799 460 A HN 0.711 nan 8.150 nan 0.000 0.458 461 I N -0.416 120.017 120.570 -0.228 0.000 2.729 461 I HA -0.077 4.088 4.170 -0.009 0.000 0.256 461 I C 2.585 178.620 176.117 -0.136 0.000 1.115 461 I CA 2.036 63.249 61.300 -0.145 0.000 1.446 461 I CB -1.463 36.471 38.000 -0.111 0.000 1.176 461 I HN 0.479 nan 8.210 nan 0.000 0.446 462 T N -1.671 112.786 114.554 -0.162 0.000 3.067 462 T HA 0.019 4.363 4.350 -0.009 0.000 0.261 462 T C 0.637 175.273 174.700 -0.107 0.000 1.110 462 T CA 0.766 62.796 62.100 -0.117 0.000 1.113 462 T CB -0.342 68.459 68.868 -0.112 0.000 0.917 462 T HN 0.400 nan 8.240 nan 0.000 0.499 463 N N 0.059 118.663 118.700 -0.159 0.000 2.926 463 N HA -0.121 4.614 4.740 -0.009 0.000 0.249 463 N C -0.691 174.789 175.510 -0.050 0.000 1.100 463 N CA 0.602 53.616 53.050 -0.061 0.000 0.777 463 N CB -1.735 36.761 38.487 0.016 0.000 1.112 463 N HN 0.590 nan 8.380 nan 0.000 0.552 464 E N -0.347 119.755 120.200 -0.164 0.000 2.212 464 E HA 0.470 4.814 4.350 -0.009 0.000 0.270 464 E C -0.997 175.458 176.600 -0.242 0.000 0.956 464 E CA -0.676 55.663 56.400 -0.103 0.000 0.825 464 E CB 0.950 30.611 29.700 -0.066 0.000 1.167 464 E HN 0.148 nan 8.360 nan 0.000 0.400 465 Y N 1.589 121.919 120.300 0.050 0.000 2.353 465 Y HA 0.171 4.716 4.550 -0.008 0.000 0.340 465 Y C 1.144 177.018 175.900 -0.045 0.000 0.972 465 Y CA -0.266 57.835 58.100 0.001 0.000 1.157 465 Y CB 1.449 39.896 38.460 -0.021 0.000 1.157 465 Y HN 0.519 nan 8.280 nan 0.000 0.495 466 K N 4.505 124.875 120.400 -0.050 0.000 2.103 466 K HA -0.002 4.313 4.320 -0.009 0.000 0.204 466 K C -0.449 176.256 176.600 0.175 0.000 1.052 466 K CA 0.929 57.219 56.287 0.005 0.000 0.945 466 K CB 0.344 32.808 32.500 -0.059 0.000 0.722 466 K HN 0.726 nan 8.250 nan 0.000 0.443 467 W N -0.052 121.336 121.300 0.147 0.000 3.146 467 W HA 0.343 4.997 4.660 -0.009 0.000 0.319 467 W C -1.934 174.625 176.519 0.067 0.000 1.258 467 W CA -0.995 56.403 57.345 0.088 0.000 1.189 467 W CB 0.363 29.892 29.460 0.116 0.000 1.412 467 W HN -0.143 nan 8.180 nan 0.000 0.567 468 Q N 1.971 121.964 119.800 0.322 0.000 2.320 468 Q HA 0.445 4.779 4.340 -0.009 0.000 0.272 468 Q C -1.780 174.126 176.000 -0.157 0.000 1.023 468 Q CA -0.548 55.338 55.803 0.139 0.000 0.855 468 Q CB 2.968 31.675 28.738 -0.050 0.000 1.367 468 Q HN 0.646 nan 8.270 nan 0.000 0.406 469 H N 2.044 121.218 119.070 0.174 0.000 2.717 469 H HA 0.468 5.019 4.556 -0.009 0.000 0.366 469 H C -0.171 175.164 175.328 0.012 0.000 1.132 469 H CA -0.759 55.334 56.048 0.075 0.000 1.180 469 H CB 1.980 31.790 29.762 0.079 0.000 1.678 469 H HN 0.528 nan 8.280 nan 0.000 0.537 470 M N 1.308 120.950 119.600 0.070 0.000 2.247 470 M HA 0.215 4.690 4.480 -0.009 0.000 0.326 470 M C 0.299 176.620 176.300 0.035 0.000 1.134 470 M CA 0.084 55.371 55.300 -0.021 0.000 1.136 470 M CB 0.799 33.350 32.600 -0.081 0.000 1.454 470 M HN 0.525 nan 8.290 nan 0.000 0.467 471 E N 0.178 120.386 120.200 0.012 0.000 2.340 471 E HA 0.297 4.642 4.350 -0.009 0.000 0.273 471 E C 0.155 176.739 176.600 -0.027 0.000 0.891 471 E CA -0.377 56.057 56.400 0.057 0.000 0.757 471 E CB 2.340 32.131 29.700 0.151 0.000 1.231 471 E HN 0.592 nan 8.360 nan 0.000 0.439 472 R N 1.406 121.858 120.500 -0.081 0.000 2.081 472 R HA -0.006 4.328 4.340 -0.009 0.000 0.235 472 R C 0.116 176.064 176.300 -0.587 0.000 1.131 472 R CA 1.492 57.381 56.100 -0.352 0.000 0.960 472 R CB 0.154 30.203 30.300 -0.419 0.000 0.856 472 R HN 0.230 nan 8.270 nan 0.000 0.436 473 F N -0.334 119.662 119.950 0.077 0.000 2.541 473 F HA 0.376 4.897 4.527 -0.009 0.000 0.331 473 F C 0.457 176.406 175.800 0.248 0.000 1.057 473 F CA -1.063 57.039 58.000 0.169 0.000 0.975 473 F CB 1.578 40.711 39.000 0.221 0.000 1.246 473 F HN -0.188 nan 8.300 nan 0.000 0.484 474 S N 0.648 116.694 115.700 0.576 0.000 2.558 474 S HA 0.120 4.585 4.470 -0.009 0.000 0.293 474 S C -0.265 174.625 174.600 0.484 0.000 1.292 474 S CA -0.560 57.944 58.200 0.508 0.000 1.063 474 S CB 0.275 63.892 63.200 0.696 0.000 0.831 474 S HN 0.338 nan 8.310 nan 0.000 0.499 475 V N 5.315 125.448 119.914 0.365 0.000 2.338 475 V HA 0.071 4.185 4.120 -0.009 0.000 0.255 475 V C 0.667 176.986 176.094 0.375 0.000 1.082 475 V CA -0.111 62.406 62.300 0.361 0.000 0.951 475 V CB -0.110 31.831 31.823 0.198 0.000 1.102 475 V HN 1.030 nan 8.190 nan 0.000 0.489 476 W N 3.800 125.238 121.300 0.229 0.000 3.013 476 W HA 0.185 4.840 4.660 -0.009 0.000 0.280 476 W C 1.488 178.178 176.519 0.285 0.000 1.249 476 W CA 0.571 58.046 57.345 0.217 0.000 1.577 476 W CB 0.744 30.328 29.460 0.207 0.000 1.057 476 W HN 0.726 nan 8.180 nan 0.000 0.613 477 G N 0.823 109.919 108.800 0.493 0.000 3.141 477 G HA2 0.346 4.301 3.960 -0.009 0.000 0.218 477 G HA3 0.346 4.301 3.960 -0.009 0.000 0.218 477 G C 0.702 175.889 174.900 0.478 0.000 1.170 477 G CA 0.482 45.873 45.100 0.484 0.000 0.769 477 G HN 0.341 nan 8.290 nan 0.000 0.546 478 G N -0.670 108.366 108.800 0.394 0.000 2.725 478 G HA2 0.269 4.224 3.960 -0.009 0.000 0.220 478 G HA3 0.269 4.224 3.960 -0.009 0.000 0.220 478 G C -0.016 175.153 174.900 0.448 0.000 1.357 478 G CA 0.196 45.531 45.100 0.392 0.000 0.866 478 G HN 1.655 nan 8.290 nan 0.000 0.548 479 T N -3.342 111.478 114.554 0.442 0.000 2.762 479 T HA 0.753 5.098 4.350 -0.009 0.000 0.301 479 T C -1.313 173.659 174.700 0.454 0.000 1.299 479 T CA 0.043 62.433 62.100 0.482 0.000 1.005 479 T CB 1.983 71.124 68.868 0.456 0.000 1.377 479 T HN 2.255 nan 8.240 nan 0.000 0.504 480 L N 1.174 122.669 121.223 0.454 0.000 2.439 480 L HA 0.885 5.220 4.340 -0.009 0.000 0.270 480 L C -0.679 176.426 176.870 0.392 0.000 0.972 480 L CA -0.601 54.490 54.840 0.418 0.000 0.836 480 L CB 1.302 43.567 42.059 0.344 0.000 1.255 480 L HN 1.229 nan 8.230 nan 0.000 0.404 481 A N 2.896 125.947 122.820 0.385 0.000 2.324 481 A HA 0.875 5.190 4.320 -0.009 0.000 0.330 481 A C -0.103 177.657 177.584 0.294 0.000 1.165 481 A CA 0.185 52.413 52.037 0.319 0.000 0.813 481 A CB 1.025 20.287 19.000 0.437 0.000 1.197 481 A HN 0.896 nan 8.150 nan 0.000 0.484 482 T N -1.871 112.804 114.554 0.201 0.000 2.901 482 T HA 0.608 4.952 4.350 -0.009 0.000 0.293 482 T C 0.803 175.569 174.700 0.110 0.000 1.084 482 T CA 0.094 62.206 62.100 0.021 0.000 1.008 482 T CB 1.482 70.373 68.868 0.038 0.000 1.170 482 T HN 1.394 nan 8.240 nan 0.000 0.509 483 A N 0.301 123.110 122.820 -0.018 0.000 2.216 483 A HA 0.296 4.610 4.320 -0.009 0.000 0.214 483 A C 2.065 179.688 177.584 0.064 0.000 1.160 483 A CA 1.127 53.224 52.037 0.100 0.000 0.725 483 A CB -1.220 17.815 19.000 0.059 0.000 0.784 483 A HN 1.198 nan 8.150 nan 0.000 0.472 484 G N -0.823 108.000 108.800 0.038 0.000 2.956 484 G HA2 0.098 4.052 3.960 -0.009 0.000 0.207 484 G HA3 0.098 4.052 3.960 -0.009 0.000 0.207 484 G C 0.507 175.422 174.900 0.024 0.000 1.162 484 G CA 0.373 45.488 45.100 0.025 0.000 0.796 484 G HN 0.491 nan 8.290 nan 0.000 0.527 485 N N -1.672 117.058 118.700 0.050 0.000 2.818 485 N HA -0.116 4.618 4.740 -0.009 0.000 0.250 485 N C -0.740 174.760 175.510 -0.017 0.000 1.108 485 N CA 0.576 53.650 53.050 0.040 0.000 0.745 485 N CB -0.979 37.528 38.487 0.034 0.000 1.104 485 N HN 0.193 nan 8.380 nan 0.000 0.557 486 L N 0.410 121.614 121.223 -0.032 0.000 2.362 486 L HA 0.666 5.000 4.340 -0.009 0.000 0.271 486 L C -0.097 176.698 176.870 -0.126 0.000 1.002 486 L CA -0.976 53.780 54.840 -0.141 0.000 0.818 486 L CB 1.977 43.950 42.059 -0.142 0.000 1.298 486 L HN -0.088 nan 8.230 nan 0.000 0.420 487 V N 3.519 123.295 119.914 -0.230 0.000 2.769 487 V HA 0.662 4.776 4.120 -0.009 0.000 0.312 487 V C -1.334 174.732 176.094 -0.046 0.000 1.061 487 V CA -0.414 61.831 62.300 -0.093 0.000 0.931 487 V CB 2.050 33.698 31.823 -0.292 0.000 1.010 487 V HN 0.538 nan 8.190 nan 0.000 0.433 488 F N 6.456 126.525 119.950 0.199 0.000 2.540 488 F HA 0.804 5.325 4.527 -0.010 0.000 0.317 488 F C -0.583 175.431 175.800 0.356 0.000 1.104 488 F CA -0.423 57.701 58.000 0.207 0.000 0.913 488 F CB 2.028 41.100 39.000 0.119 0.000 1.170 488 F HN 0.672 nan 8.300 nan 0.000 0.450 489 Y N -0.006 120.517 120.300 0.372 0.000 2.592 489 Y HA 0.819 5.364 4.550 -0.009 0.000 0.334 489 Y C -0.595 175.484 175.900 0.298 0.000 1.136 489 Y CA -1.807 56.491 58.100 0.329 0.000 1.042 489 Y CB 0.962 39.606 38.460 0.307 0.000 1.325 489 Y HN 0.731 nan 8.280 nan 0.000 0.457 490 G N 0.618 109.591 108.800 0.289 0.000 2.437 490 G HA2 0.548 4.502 3.960 -0.009 0.000 0.319 490 G HA3 0.548 4.502 3.960 -0.009 0.000 0.319 490 G C -0.758 174.327 174.900 0.309 0.000 1.158 490 G CA -0.399 44.822 45.100 0.202 0.000 0.899 490 G HN 0.996 nan 8.290 nan 0.000 0.502 491 T N -0.877 113.827 114.554 0.250 0.000 2.932 491 T HA 0.416 4.760 4.350 -0.009 0.000 0.289 491 T C 1.291 176.132 174.700 0.235 0.000 1.039 491 T CA -0.874 61.424 62.100 0.330 0.000 1.024 491 T CB 1.622 70.717 68.868 0.379 0.000 1.090 491 T HN 0.190 nan 8.240 nan 0.000 0.496 492 L N 0.765 122.136 121.223 0.247 0.000 2.362 492 L HA 0.024 4.358 4.340 -0.009 0.000 0.219 492 L C 1.519 178.372 176.870 -0.027 0.000 1.134 492 L CA 1.070 55.962 54.840 0.087 0.000 0.807 492 L CB -0.396 41.695 42.059 0.053 0.000 0.927 492 L HN 0.798 nan 8.230 nan 0.000 0.447 493 D N -1.136 119.318 120.400 0.090 0.000 2.328 493 D HA 0.080 4.714 4.640 -0.009 0.000 0.221 493 D C 1.277 177.430 176.300 -0.245 0.000 1.072 493 D CA 0.653 54.664 54.000 0.019 0.000 0.850 493 D CB 0.249 41.186 40.800 0.229 0.000 0.922 493 D HN 0.156 nan 8.370 nan 0.000 0.516 494 G N -0.541 108.127 108.800 -0.220 0.000 2.131 494 G HA2 -0.187 3.767 3.960 -0.009 0.000 0.201 494 G HA3 -0.187 3.767 3.960 -0.009 0.000 0.201 494 G C -0.442 174.166 174.900 -0.485 0.000 1.000 494 G CA -0.553 44.347 45.100 -0.334 0.000 0.680 494 G HN 0.209 nan 8.290 nan 0.000 0.514 495 F N -0.142 119.803 119.950 -0.009 0.000 2.422 495 F HA 0.682 5.203 4.527 -0.009 0.000 0.333 495 F C 0.610 176.354 175.800 -0.093 0.000 1.095 495 F CA -1.429 56.517 58.000 -0.089 0.000 1.038 495 F CB 1.645 40.569 39.000 -0.128 0.000 1.156 495 F HN 0.016 nan 8.300 nan 0.000 0.483 496 L N 4.252 125.507 121.223 0.054 0.000 2.264 496 L HA 0.441 4.775 4.340 -0.009 0.000 0.289 496 L C -0.892 175.911 176.870 -0.111 0.000 1.044 496 L CA -0.392 54.456 54.840 0.013 0.000 0.807 496 L CB 0.712 42.806 42.059 0.057 0.000 1.192 496 L HN 0.696 nan 8.230 nan 0.000 0.425 497 K N 3.970 124.230 120.400 -0.233 0.000 2.267 497 K HA 0.792 5.106 4.320 -0.009 0.000 0.246 497 K C -1.003 175.485 176.600 -0.187 0.000 0.954 497 K CA -0.690 55.412 56.287 -0.308 0.000 0.824 497 K CB 2.238 34.418 32.500 -0.534 0.000 1.167 497 K HN 0.617 nan 8.250 nan 0.000 0.431 498 A N 2.401 125.153 122.820 -0.114 0.000 2.353 498 A HA 0.516 4.830 4.320 -0.009 0.000 0.299 498 A C -0.864 176.584 177.584 -0.227 0.000 1.089 498 A CA -0.820 50.985 52.037 -0.387 0.000 0.736 498 A CB 0.802 19.441 19.000 -0.602 0.000 1.195 498 A HN 0.701 nan 8.150 nan 0.000 0.447 499 R N 1.647 122.034 120.500 -0.189 0.000 2.668 499 R HA 0.345 4.679 4.340 -0.009 0.000 0.279 499 R C -0.239 175.919 176.300 -0.237 0.000 0.976 499 R CA -1.023 54.955 56.100 -0.204 0.000 0.978 499 R CB 1.216 31.398 30.300 -0.197 0.000 1.133 499 R HN 0.797 nan 8.270 nan 0.000 0.484 500 N N 1.068 119.624 118.700 -0.241 0.000 2.452 500 N HA -0.075 4.659 4.740 -0.009 0.000 0.266 500 N C 0.637 176.072 175.510 -0.125 0.000 1.209 500 N CA 0.335 53.282 53.050 -0.171 0.000 0.929 500 N CB 1.082 39.476 38.487 -0.154 0.000 1.063 500 N HN 0.688 nan 8.380 nan 0.000 0.472 501 S N 2.551 118.244 115.700 -0.012 0.000 2.461 501 S HA -0.050 4.415 4.470 -0.009 0.000 0.228 501 S C 0.872 175.811 174.600 0.565 0.000 1.005 501 S CA 0.463 58.762 58.200 0.165 0.000 0.942 501 S CB 0.162 63.242 63.200 -0.201 0.000 0.776 501 S HN 0.550 nan 8.310 nan 0.000 0.514 502 D N 2.235 122.824 120.400 0.315 0.000 2.144 502 D HA -0.042 4.592 4.640 -0.009 0.000 0.200 502 D C 2.000 178.529 176.300 0.382 0.000 0.978 502 D CA 2.010 56.208 54.000 0.330 0.000 0.833 502 D CB -0.325 40.571 40.800 0.160 0.000 0.961 502 D HN 0.764 nan 8.370 nan 0.000 0.470 503 T N -4.442 110.165 114.554 0.089 0.000 2.975 503 T HA 0.382 4.727 4.350 -0.009 0.000 0.257 503 T C 1.656 175.853 174.700 -0.838 0.000 1.003 503 T CA 0.672 62.703 62.100 -0.116 0.000 0.932 503 T CB 1.004 69.821 68.868 -0.084 0.000 1.087 503 T HN 0.162 nan 8.240 nan 0.000 0.512 504 G N 1.636 109.432 108.800 -1.674 0.000 2.189 504 G HA2 -0.303 3.651 3.960 -0.009 0.000 0.267 504 G HA3 -0.303 3.651 3.960 -0.009 0.000 0.267 504 G C -0.125 174.278 174.900 -0.829 0.000 0.975 504 G CA 0.411 44.249 45.100 -2.104 0.000 0.644 504 G HN 0.804 nan 8.290 nan 0.000 0.537 505 E N -0.019 119.885 120.200 -0.493 0.000 2.414 505 E HA 0.262 4.606 4.350 -0.009 0.000 0.263 505 E C 0.390 176.784 176.600 -0.344 0.000 1.000 505 E CA -0.708 55.487 56.400 -0.341 0.000 0.914 505 E CB 0.261 29.837 29.700 -0.206 0.000 0.948 505 E HN 0.273 nan 8.360 nan 0.000 0.444 506 L N 6.205 127.224 121.223 -0.339 0.000 2.418 506 L HA -0.002 4.332 4.340 -0.009 0.000 0.274 506 L C 0.543 177.312 176.870 -0.168 0.000 1.135 506 L CA 0.448 55.140 54.840 -0.246 0.000 0.870 506 L CB 1.132 43.042 42.059 -0.247 0.000 1.154 506 L HN 0.505 nan 8.230 nan 0.000 0.462 507 V N 2.419 122.260 119.914 -0.121 0.000 3.562 507 V HA 0.411 4.525 4.120 -0.009 0.000 0.270 507 V C -0.122 176.007 176.094 0.058 0.000 1.418 507 V CA -0.464 61.802 62.300 -0.056 0.000 1.033 507 V CB -0.529 31.254 31.823 -0.068 0.000 0.820 507 V HN 0.786 nan 8.190 nan 0.000 0.441 508 W N 1.820 123.005 121.300 -0.192 0.000 3.363 508 W HA 0.651 5.306 4.660 -0.010 0.000 0.306 508 W C -1.575 174.845 176.519 -0.164 0.000 1.253 508 W CA -0.511 56.743 57.345 -0.152 0.000 1.195 508 W CB 1.438 30.815 29.460 -0.139 0.000 1.366 508 W HN 0.197 nan 8.180 nan 0.000 0.551 509 K N 4.081 123.923 120.400 -0.930 0.000 2.575 509 K HA 0.461 4.775 4.320 -0.009 0.000 0.279 509 K C -2.353 173.610 176.600 -1.062 0.000 0.969 509 K CA -0.861 54.800 56.287 -1.043 0.000 0.868 509 K CB 2.211 34.363 32.500 -0.580 0.000 1.457 509 K HN 0.699 nan 8.250 nan 0.000 0.426 510 H N 1.146 119.700 119.070 -0.860 0.000 2.865 510 H HA 0.228 4.778 4.556 -0.009 0.000 0.362 510 H C -1.533 173.810 175.328 0.025 0.000 1.114 510 H CA -0.727 55.068 56.048 -0.421 0.000 1.208 510 H CB 2.414 31.877 29.762 -0.498 0.000 1.727 510 H HN 0.631 nan 8.280 nan 0.000 0.534 511 K N 4.529 124.761 120.400 -0.281 0.000 2.292 511 K HA 0.151 4.465 4.320 -0.009 0.000 0.290 511 K C -0.706 175.798 176.600 -0.160 0.000 1.083 511 K CA -0.403 55.767 56.287 -0.195 0.000 0.918 511 K CB -0.311 32.078 32.500 -0.184 0.000 1.089 511 K HN 0.272 nan 8.250 nan 0.000 0.473 512 L N 6.740 127.925 121.223 -0.065 0.000 2.479 512 L HA 0.334 4.669 4.340 -0.009 0.000 0.249 512 L C -1.277 175.547 176.870 -0.076 0.000 1.178 512 L CA -2.320 52.541 54.840 0.034 0.000 0.811 512 L CB 0.207 42.309 42.059 0.072 0.000 1.187 512 L HN 0.571 nan 8.230 nan 0.000 0.480 513 P HA -0.082 nan 4.420 nan 0.000 0.215 513 P C 0.124 177.363 177.300 -0.102 0.000 1.157 513 P CA 0.985 64.036 63.100 -0.083 0.000 0.868 513 P CB 0.344 32.000 31.700 -0.074 0.000 0.788 514 S N -2.585 113.061 115.700 -0.091 0.000 2.651 514 S HA 0.646 5.110 4.470 -0.009 0.000 0.279 514 S C -0.064 174.491 174.600 -0.075 0.000 1.148 514 S CA -0.553 57.592 58.200 -0.092 0.000 0.837 514 S CB 0.829 63.976 63.200 -0.087 0.000 1.138 514 S HN 0.110 nan 8.310 nan 0.000 0.478 515 G N 0.472 109.231 108.800 -0.067 0.000 2.690 515 G HA2 0.461 4.415 3.960 -0.009 0.000 0.239 515 G HA3 0.461 4.415 3.960 -0.009 0.000 0.239 515 G C -0.859 174.064 174.900 0.039 0.000 1.233 515 G CA -0.145 44.937 45.100 -0.029 0.000 0.847 515 G HN 0.781 nan 8.290 nan 0.000 0.588 516 V N 1.467 121.446 119.914 0.108 0.000 2.540 516 V HA 0.421 4.535 4.120 -0.009 0.000 0.302 516 V C 0.720 176.976 176.094 0.269 0.000 1.035 516 V CA -0.431 61.976 62.300 0.178 0.000 0.873 516 V CB 1.583 33.520 31.823 0.191 0.000 0.992 516 V HN 0.800 nan 8.190 nan 0.000 0.428 517 I N 0.835 121.595 120.570 0.316 0.000 4.390 517 I HA 0.576 4.741 4.170 -0.009 0.000 0.334 517 I C 0.656 177.060 176.117 0.478 0.000 1.379 517 I CA -0.207 61.369 61.300 0.461 0.000 1.197 517 I CB 0.642 38.937 38.000 0.491 0.000 1.396 517 I HN 0.576 nan 8.210 nan 0.000 0.511 518 G N 1.297 110.319 108.800 0.371 0.000 2.461 518 G HA2 0.538 4.492 3.960 -0.009 0.000 0.329 518 G HA3 0.538 4.492 3.960 -0.009 0.000 0.329 518 G C -1.152 173.919 174.900 0.284 0.000 1.170 518 G CA -0.582 44.706 45.100 0.313 0.000 0.935 518 G HN 0.345 nan 8.290 nan 0.000 0.492 519 Y N -0.735 119.733 120.300 0.281 0.000 2.352 519 Y HA 0.705 5.249 4.550 -0.009 0.000 0.326 519 Y C -2.440 173.529 175.900 0.115 0.000 1.166 519 Y CA -3.467 54.766 58.100 0.221 0.000 1.182 519 Y CB 0.924 39.507 38.460 0.204 0.000 1.216 519 Y HN 0.271 nan 8.280 nan 0.000 0.474 520 P HA 0.310 nan 4.420 nan 0.000 0.274 520 P C -0.933 176.345 177.300 -0.037 0.000 1.237 520 P CA -0.291 62.837 63.100 0.047 0.000 0.793 520 P CB 1.142 32.894 31.700 0.087 0.000 0.977 521 M N -1.470 117.950 119.600 -0.299 0.000 2.683 521 M HA 0.802 5.276 4.480 -0.009 0.000 0.274 521 M C -0.830 175.241 176.300 -0.382 0.000 1.272 521 M CA -0.472 54.392 55.300 -0.727 0.000 0.833 521 M CB 1.477 33.168 32.600 -1.516 0.000 1.708 521 M HN 0.151 nan 8.290 nan 0.000 0.463 522 T N 0.508 114.947 114.554 -0.191 0.000 2.894 522 T HA 0.863 5.208 4.350 -0.009 0.000 0.309 522 T C -2.275 172.648 174.700 0.372 0.000 1.208 522 T CA -0.443 61.685 62.100 0.047 0.000 1.016 522 T CB 1.196 70.047 68.868 -0.029 0.000 1.192 522 T HN 1.244 nan 8.240 nan 0.000 0.491 523 Y N -0.156 120.225 120.300 0.135 0.000 2.702 523 Y HA 0.734 5.279 4.550 -0.010 0.000 0.336 523 Y C -1.454 174.552 175.900 0.178 0.000 1.203 523 Y CA -1.164 57.046 58.100 0.183 0.000 1.072 523 Y CB 0.985 39.560 38.460 0.192 0.000 1.327 523 Y HN 0.515 nan 8.280 nan 0.000 0.456 524 E N 1.344 121.721 120.200 0.296 0.000 2.165 524 E HA 0.291 4.636 4.350 -0.009 0.000 0.266 524 E C -1.882 174.933 176.600 0.357 0.000 0.889 524 E CA -0.883 55.630 56.400 0.189 0.000 0.756 524 E CB 1.742 31.494 29.700 0.087 0.000 1.131 524 E HN 0.704 nan 8.360 nan 0.000 0.411 525 H N 2.597 121.851 119.070 0.307 0.000 2.658 525 H HA 0.249 4.800 4.556 -0.009 0.000 0.337 525 H C -0.902 174.545 175.328 0.199 0.000 1.009 525 H CA -0.668 55.556 56.048 0.293 0.000 1.231 525 H CB 0.597 30.592 29.762 0.390 0.000 1.508 525 H HN 0.412 nan 8.280 nan 0.000 0.517 526 K N 4.180 124.407 120.400 -0.289 0.000 3.278 526 K HA -0.223 4.091 4.320 -0.009 0.000 0.270 526 K C 0.982 177.540 176.600 -0.069 0.000 0.955 526 K CA 0.889 57.057 56.287 -0.197 0.000 0.723 526 K CB -1.505 30.847 32.500 -0.247 0.000 1.382 526 K HN 1.175 nan 8.250 nan 0.000 0.461 527 G N -1.367 107.408 108.800 -0.042 0.000 2.196 527 G HA2 -0.346 3.609 3.960 -0.009 0.000 0.268 527 G HA3 -0.346 3.609 3.960 -0.009 0.000 0.268 527 G C 0.197 175.053 174.900 -0.072 0.000 0.975 527 G CA 0.353 45.427 45.100 -0.044 0.000 0.648 527 G HN 0.351 nan 8.290 nan 0.000 0.538 528 V N 1.403 121.270 119.914 -0.079 0.000 2.350 528 V HA 0.419 4.533 4.120 -0.009 0.000 0.276 528 V C 0.651 176.506 176.094 -0.398 0.000 1.028 528 V CA -0.495 61.651 62.300 -0.256 0.000 0.860 528 V CB 1.702 33.337 31.823 -0.314 0.000 0.990 528 V HN 0.468 nan 8.190 nan 0.000 0.453 529 Q N 3.917 123.483 119.800 -0.389 0.000 2.304 529 Q HA 0.331 4.665 4.340 -0.009 0.000 0.260 529 Q C -1.693 173.921 176.000 -0.644 0.000 0.965 529 Q CA -0.149 55.423 55.803 -0.386 0.000 0.898 529 Q CB 0.664 29.256 28.738 -0.244 0.000 1.196 529 Q HN 0.717 nan 8.270 nan 0.000 0.402 530 Y N 3.055 123.066 120.300 -0.481 0.000 2.468 530 Y HA 0.536 5.081 4.550 -0.009 0.000 0.342 530 Y C -0.049 175.524 175.900 -0.546 0.000 1.021 530 Y CA -0.909 56.865 58.100 -0.542 0.000 1.079 530 Y CB 1.677 39.672 38.460 -0.776 0.000 1.226 530 Y HN 0.444 nan 8.280 nan 0.000 0.460 531 I N 2.477 122.914 120.570 -0.222 0.000 2.466 531 I HA 0.703 4.867 4.170 -0.009 0.000 0.289 531 I C -0.796 175.253 176.117 -0.114 0.000 1.026 531 I CA -0.869 60.267 61.300 -0.272 0.000 1.078 531 I CB 1.727 39.420 38.000 -0.512 0.000 1.249 531 I HN 0.671 nan 8.210 nan 0.000 0.429 532 A N 5.772 128.523 122.820 -0.116 0.000 2.386 532 A HA 0.879 5.194 4.320 -0.009 0.000 0.311 532 A C -1.393 176.144 177.584 -0.077 0.000 1.068 532 A CA -0.641 51.341 52.037 -0.091 0.000 0.743 532 A CB 2.311 21.267 19.000 -0.074 0.000 1.258 532 A HN 0.496 nan 8.150 nan 0.000 0.429 533 V N 3.503 123.408 119.914 -0.016 0.000 3.087 533 V HA 0.524 4.638 4.120 -0.009 0.000 0.306 533 V C -1.116 174.995 176.094 0.028 0.000 1.187 533 V CA -0.998 61.304 62.300 0.003 0.000 0.999 533 V CB 2.257 34.126 31.823 0.076 0.000 1.049 533 V HN 0.927 nan 8.190 nan 0.000 0.431 534 M N 3.622 123.244 119.600 0.036 0.000 2.200 534 M HA 0.364 4.839 4.480 -0.009 0.000 0.355 534 M C 0.156 176.503 176.300 0.077 0.000 1.283 534 M CA 0.603 55.942 55.300 0.065 0.000 1.124 534 M CB 0.723 33.391 32.600 0.114 0.000 1.625 534 M HN 0.667 nan 8.290 nan 0.000 0.463 535 S N 1.562 117.276 115.700 0.024 0.000 2.475 535 S HA 0.847 5.311 4.470 -0.009 0.000 0.298 535 S C -0.125 174.433 174.600 -0.070 0.000 1.119 535 S CA -0.239 57.964 58.200 0.004 0.000 1.085 535 S CB 1.178 64.368 63.200 -0.016 0.000 1.028 535 S HN 0.981 nan 8.310 nan 0.000 0.489 536 G N 2.955 111.747 108.800 -0.014 0.000 2.046 536 G HA2 0.153 4.107 3.960 -0.009 0.000 0.180 536 G HA3 0.153 4.107 3.960 -0.009 0.000 0.180 536 G C -0.876 174.068 174.900 0.073 0.000 1.990 536 G CA -0.448 44.628 45.100 -0.039 0.000 0.997 536 G HN 0.839 nan 8.290 nan 0.000 0.592 537 V N 1.888 121.808 119.914 0.010 0.000 3.185 537 V HA 0.881 4.996 4.120 -0.009 0.000 0.305 537 V C 1.227 177.328 176.094 0.012 0.000 1.090 537 V CA 2.210 64.511 62.300 0.001 0.000 1.107 537 V CB 1.465 33.248 31.823 -0.068 0.000 1.061 537 V HN 2.397 nan 8.190 nan 0.000 0.480 538 G N 1.870 110.664 108.800 -0.011 0.000 2.366 538 G HA2 0.532 4.486 3.960 -0.009 0.000 0.190 538 G HA3 0.532 4.486 3.960 -0.009 0.000 0.190 538 G C 0.389 175.322 174.900 0.055 0.000 1.299 538 G CA 0.175 45.293 45.100 0.030 0.000 1.056 538 G HN 2.259 nan 8.290 nan 0.000 0.468 539 G N -1.511 107.396 108.800 0.179 0.000 2.692 539 G HA2 -0.088 3.867 3.960 -0.009 0.000 0.248 539 G HA3 -0.088 3.867 3.960 -0.009 0.000 0.248 539 G C 0.952 175.985 174.900 0.221 0.000 1.340 539 G CA 0.955 46.209 45.100 0.256 0.000 0.896 539 G HN 1.859 nan 8.290 nan 0.000 0.570 540 W N 1.441 122.773 121.300 0.053 0.000 2.317 540 W HA -0.024 4.631 4.660 -0.010 0.000 0.318 540 W C 0.007 176.334 176.519 -0.321 0.000 1.227 540 W CA 2.891 60.220 57.345 -0.026 0.000 1.269 540 W CB -1.690 27.885 29.460 0.192 0.000 1.155 540 W HN 0.461 nan 8.180 nan 0.000 0.484 541 P HA -0.072 nan 4.420 nan 0.000 0.219 541 P C 1.478 178.384 177.300 -0.658 0.000 1.146 541 P CA 2.523 64.867 63.100 -1.261 0.000 0.808 541 P CB -0.574 30.012 31.700 -1.856 0.000 0.779 542 G N -0.452 108.145 108.800 -0.338 0.000 2.985 542 G HA2 -0.011 3.944 3.960 -0.009 0.000 0.209 542 G HA3 -0.011 3.944 3.960 -0.009 0.000 0.209 542 G C 1.319 176.219 174.900 -0.001 0.000 1.165 542 G CA 0.237 45.241 45.100 -0.160 0.000 0.776 542 G HN 0.281 nan 8.290 nan 0.000 0.541 543 V N -1.248 118.734 119.914 0.112 0.000 2.626 543 V HA 0.052 4.166 4.120 -0.009 0.000 0.252 543 V C 2.512 178.765 176.094 0.266 0.000 1.067 543 V CA 1.837 64.318 62.300 0.301 0.000 1.081 543 V CB -0.860 31.173 31.823 0.350 0.000 0.686 543 V HN 0.169 nan 8.190 nan 0.000 0.468 544 G N 0.551 109.438 108.800 0.145 0.000 2.394 544 G HA2 -0.148 3.806 3.960 -0.009 0.000 0.215 544 G HA3 -0.148 3.806 3.960 -0.009 0.000 0.215 544 G C 1.440 176.384 174.900 0.073 0.000 1.165 544 G CA 1.016 46.188 45.100 0.119 0.000 0.784 544 G HN 0.501 nan 8.290 nan 0.000 0.535 545 L N 0.959 122.197 121.223 0.024 0.000 1.976 545 L HA 0.007 4.341 4.340 -0.009 0.000 0.209 545 L C 2.795 179.612 176.870 -0.089 0.000 1.071 545 L CA 1.725 56.544 54.840 -0.035 0.000 0.746 545 L CB -0.848 41.170 42.059 -0.069 0.000 0.890 545 L HN 0.061 nan 8.230 nan 0.000 0.432 546 V N -0.733 119.094 119.914 -0.145 0.000 2.358 546 V HA -0.228 3.886 4.120 -0.009 0.000 0.246 546 V C 1.950 177.754 176.094 -0.483 0.000 1.047 546 V CA 1.971 64.040 62.300 -0.385 0.000 1.035 546 V CB -0.586 30.932 31.823 -0.510 0.000 0.658 546 V HN 0.423 nan 8.190 nan 0.000 0.452 547 F N -0.702 119.237 119.950 -0.017 0.000 2.664 547 F HA 0.307 4.828 4.527 -0.010 0.000 0.303 547 F C 0.890 176.683 175.800 -0.012 0.000 1.092 547 F CA 0.078 58.078 58.000 -0.000 0.000 1.305 547 F CB -0.065 38.941 39.000 0.011 0.000 1.054 547 F HN 0.112 nan 8.300 nan 0.000 0.565 548 D N 1.775 122.225 120.400 0.084 0.000 2.705 548 D HA -0.198 4.437 4.640 -0.009 0.000 0.240 548 D C -0.575 175.763 176.300 0.064 0.000 1.137 548 D CA 0.465 54.497 54.000 0.053 0.000 0.677 548 D CB -0.996 39.821 40.800 0.029 0.000 1.049 548 D HN 0.200 nan 8.370 nan 0.000 0.427 549 L N 0.113 121.383 121.223 0.077 0.000 2.360 549 L HA 0.458 4.793 4.340 -0.009 0.000 0.271 549 L C 1.549 178.439 176.870 0.034 0.000 1.057 549 L CA -0.563 54.309 54.840 0.052 0.000 0.803 549 L CB 1.505 43.600 42.059 0.061 0.000 1.207 549 L HN -0.036 nan 8.230 nan 0.000 0.445 550 Q N -0.733 119.077 119.800 0.016 0.000 2.179 550 Q HA 0.058 4.393 4.340 -0.009 0.000 0.244 550 Q C -0.483 175.520 176.000 0.004 0.000 0.808 550 Q CA -0.190 55.620 55.803 0.011 0.000 0.955 550 Q CB 0.768 29.509 28.738 0.004 0.000 1.141 550 Q HN 0.543 nan 8.270 nan 0.000 0.485 551 D N 1.993 122.390 120.400 -0.005 0.000 2.412 551 D HA -0.027 4.607 4.640 -0.009 0.000 0.257 551 D C -1.551 174.742 176.300 -0.012 0.000 1.217 551 D CA -1.553 52.438 54.000 -0.014 0.000 0.897 551 D CB 1.213 41.990 40.800 -0.039 0.000 1.132 551 D HN 0.042 nan 8.370 nan 0.000 0.493 552 P HA -0.136 nan 4.420 nan 0.000 0.223 552 P C 0.891 178.173 177.300 -0.030 0.000 1.144 552 P CA 1.117 64.231 63.100 0.024 0.000 0.783 552 P CB -0.039 31.711 31.700 0.083 0.000 0.771 553 T N -4.298 110.184 114.554 -0.121 0.000 3.086 553 T HA 0.455 4.800 4.350 -0.009 0.000 0.250 553 T C 1.014 175.608 174.700 -0.178 0.000 1.074 553 T CA -0.141 61.796 62.100 -0.273 0.000 0.988 553 T CB -0.304 68.269 68.868 -0.492 0.000 0.988 553 T HN 0.046 nan 8.240 nan 0.000 0.530 554 A N 0.841 123.601 122.820 -0.101 0.000 2.327 554 A HA 0.590 4.904 4.320 -0.009 0.000 0.255 554 A C 1.588 179.166 177.584 -0.009 0.000 1.099 554 A CA 0.028 52.016 52.037 -0.082 0.000 0.801 554 A CB -1.043 17.918 19.000 -0.066 0.000 1.062 554 A HN 1.408 nan 8.150 nan 0.000 0.496 555 G N -1.144 107.640 108.800 -0.026 0.000 2.356 555 G HA2 0.066 4.020 3.960 -0.009 0.000 0.296 555 G HA3 0.066 4.020 3.960 -0.009 0.000 0.296 555 G C 0.304 175.360 174.900 0.260 0.000 1.022 555 G CA 0.274 45.427 45.100 0.088 0.000 0.961 555 G HN 1.785 nan 8.290 nan 0.000 0.510 556 L N -2.784 118.481 121.223 0.071 0.000 4.179 556 L HA -0.203 4.131 4.340 -0.009 0.000 0.418 556 L C 2.058 179.123 176.870 0.325 0.000 1.168 556 L CA 2.494 57.432 54.840 0.164 0.000 0.972 556 L CB -1.782 40.473 42.059 0.326 0.000 2.005 556 L HN 2.300 nan 8.230 nan 0.000 0.935 557 G N -3.030 105.862 108.800 0.152 0.000 2.179 557 G HA2 -0.013 3.941 3.960 -0.009 0.000 0.220 557 G HA3 -0.013 3.941 3.960 -0.009 0.000 0.220 557 G C 0.849 175.815 174.900 0.111 0.000 0.990 557 G CA 0.666 45.814 45.100 0.080 0.000 0.646 557 G HN 1.173 nan 8.290 nan 0.000 0.517 558 A N -0.148 122.755 122.820 0.138 0.000 2.081 558 A HA 0.557 4.871 4.320 -0.009 0.000 0.214 558 A C 2.444 180.148 177.584 0.199 0.000 1.158 558 A CA 1.914 53.997 52.037 0.078 0.000 0.724 558 A CB -0.167 18.737 19.000 -0.161 0.000 0.826 558 A HN 0.980 nan 8.150 nan 0.000 0.463 559 V N 0.254 120.259 119.914 0.152 0.000 2.252 559 V HA -0.255 3.859 4.120 -0.009 0.000 0.249 559 V C 2.817 178.989 176.094 0.131 0.000 1.056 559 V CA 2.267 64.645 62.300 0.131 0.000 1.022 559 V CB -1.392 30.478 31.823 0.078 0.000 0.641 559 V HN 0.569 nan 8.190 nan 0.000 0.445 560 G N -0.857 108.013 108.800 0.116 0.000 2.402 560 G HA2 -0.154 3.801 3.960 -0.009 0.000 0.216 560 G HA3 -0.154 3.801 3.960 -0.009 0.000 0.216 560 G C 1.753 176.757 174.900 0.174 0.000 1.162 560 G CA 0.991 46.145 45.100 0.089 0.000 0.777 560 G HN 0.629 nan 8.290 nan 0.000 0.539 561 A N 0.295 123.282 122.820 0.279 0.000 1.902 561 A HA 0.203 4.518 4.320 -0.009 0.000 0.217 561 A C 1.694 179.268 177.584 -0.018 0.000 1.181 561 A CA 0.831 53.008 52.037 0.232 0.000 0.623 561 A CB -0.376 18.663 19.000 0.065 0.000 0.818 561 A HN 0.324 nan 8.150 nan 0.000 0.443 562 F N 0.467 120.529 119.950 0.187 0.000 2.660 562 F HA 0.153 4.674 4.527 -0.010 0.000 0.297 562 F C 1.752 177.642 175.800 0.150 0.000 1.132 562 F CA 0.154 58.258 58.000 0.174 0.000 1.372 562 F CB 0.177 39.188 39.000 0.019 0.000 1.003 562 F HN 0.298 nan 8.300 nan 0.000 0.524 563 K N -0.787 119.722 120.400 0.182 0.000 2.211 563 K HA -0.156 4.158 4.320 -0.009 0.000 0.204 563 K C 1.146 177.841 176.600 0.158 0.000 1.047 563 K CA 1.501 57.849 56.287 0.101 0.000 0.935 563 K CB -0.217 32.266 32.500 -0.029 0.000 0.728 563 K HN 0.144 nan 8.250 nan 0.000 0.452 564 N N 0.902 119.766 118.700 0.274 0.000 2.446 564 N HA -0.037 4.697 4.740 -0.009 0.000 0.179 564 N C 1.588 177.405 175.510 0.512 0.000 1.054 564 N CA 0.341 53.630 53.050 0.399 0.000 0.905 564 N CB -0.075 38.721 38.487 0.515 0.000 0.973 564 N HN 0.115 nan 8.380 nan 0.000 0.448 565 L N 2.304 123.695 121.223 0.281 0.000 2.043 565 L HA -0.214 4.120 4.340 -0.009 0.000 0.212 565 L C 2.145 179.046 176.870 0.052 0.000 1.075 565 L CA 1.752 56.493 54.840 -0.165 0.000 0.752 565 L CB -0.656 41.205 42.059 -0.329 0.000 0.891 565 L HN 0.305 nan 8.230 nan 0.000 0.432 566 Q N -1.809 118.023 119.800 0.053 0.000 2.541 566 Q HA -0.129 4.205 4.340 -0.009 0.000 0.215 566 Q C 0.715 176.697 176.000 -0.030 0.000 0.977 566 Q CA 1.008 56.813 55.803 0.003 0.000 0.934 566 Q CB -0.544 28.189 28.738 -0.008 0.000 0.988 566 Q HN 0.528 nan 8.270 nan 0.000 0.521 567 N N -0.567 118.107 118.700 -0.043 0.000 2.336 567 N HA 0.036 4.770 4.740 -0.009 0.000 0.189 567 N C -0.243 174.908 175.510 -0.598 0.000 1.113 567 N CA 0.513 53.362 53.050 -0.335 0.000 0.858 567 N CB 0.282 38.495 38.487 -0.457 0.000 0.970 567 N HN 0.442 nan 8.380 nan 0.000 0.471 568 Y N -1.552 118.759 120.300 0.018 0.000 2.476 568 Y HA 0.276 4.821 4.550 -0.009 0.000 0.261 568 Y C 0.593 176.446 175.900 -0.078 0.000 1.077 568 Y CA -0.199 57.909 58.100 0.014 0.000 1.240 568 Y CB 1.246 39.772 38.460 0.110 0.000 1.317 568 Y HN -0.221 nan 8.280 nan 0.000 0.540 569 T N -0.046 114.524 114.554 0.026 0.000 2.893 569 T HA 0.384 4.729 4.350 -0.009 0.000 0.337 569 T C -1.740 172.918 174.700 -0.071 0.000 1.587 569 T CA -0.662 61.407 62.100 -0.051 0.000 1.066 569 T CB 1.496 70.318 68.868 -0.078 0.000 1.414 569 T HN -0.164 nan 8.240 nan 0.000 0.488 570 Q N 1.547 121.297 119.800 -0.084 0.000 2.572 570 Q HA 0.549 4.883 4.340 -0.009 0.000 0.284 570 Q C 0.070 176.008 176.000 -0.103 0.000 1.091 570 Q CA -0.955 54.792 55.803 -0.092 0.000 0.840 570 Q CB 1.447 30.133 28.738 -0.088 0.000 1.433 570 Q HN 0.730 nan 8.270 nan 0.000 0.471 571 M N 0.127 119.655 119.600 -0.120 0.000 2.245 571 M HA 0.329 4.803 4.480 -0.009 0.000 0.312 571 M C 0.540 176.775 176.300 -0.108 0.000 1.070 571 M CA 0.809 56.033 55.300 -0.127 0.000 1.162 571 M CB 0.232 32.724 32.600 -0.180 0.000 1.448 571 M HN 0.784 nan 8.290 nan 0.000 0.446 572 G N -0.258 108.479 108.800 -0.106 0.000 2.606 572 G HA2 0.691 4.645 3.960 -0.009 0.000 0.300 572 G HA3 0.691 4.645 3.960 -0.009 0.000 0.300 572 G C -1.429 173.336 174.900 -0.225 0.000 1.360 572 G CA -0.212 44.805 45.100 -0.138 0.000 0.783 572 G HN 0.940 nan 8.290 nan 0.000 0.484 573 G N -0.590 108.002 108.800 -0.346 0.000 2.020 573 G HA2 0.707 4.661 3.960 -0.009 0.000 0.304 573 G HA3 0.707 4.661 3.960 -0.009 0.000 0.304 573 G C -0.646 173.966 174.900 -0.480 0.000 1.500 573 G CA 0.976 45.607 45.100 -0.781 0.000 1.120 573 G HN 1.983 nan 8.290 nan 0.000 0.555 574 S N 0.751 116.224 115.700 -0.378 0.000 2.595 574 S HA 0.747 5.211 4.470 -0.009 0.000 0.270 574 S C -1.800 172.770 174.600 -0.050 0.000 1.145 574 S CA -0.925 57.172 58.200 -0.171 0.000 0.825 574 S CB 1.757 64.878 63.200 -0.132 0.000 1.107 574 S HN 1.664 nan 8.310 nan 0.000 0.461 575 L N 1.240 122.486 121.223 0.039 0.000 2.307 575 L HA 0.780 5.115 4.340 -0.009 0.000 0.284 575 L C -0.941 175.882 176.870 -0.078 0.000 1.023 575 L CA 0.046 54.894 54.840 0.013 0.000 0.810 575 L CB 1.313 43.408 42.059 0.061 0.000 1.231 575 L HN 0.754 nan 8.230 nan 0.000 0.423 576 E N 4.730 124.874 120.200 -0.095 0.000 2.165 576 E HA 0.460 4.805 4.350 -0.009 0.000 0.266 576 E C -1.244 175.157 176.600 -0.331 0.000 0.889 576 E CA -0.475 55.847 56.400 -0.131 0.000 0.756 576 E CB 2.221 32.018 29.700 0.162 0.000 1.131 576 E HN 0.414 nan 8.360 nan 0.000 0.411 577 V N 3.656 123.070 119.914 -0.833 0.000 2.513 577 V HA 0.534 4.648 4.120 -0.009 0.000 0.299 577 V C -0.419 175.147 176.094 -0.880 0.000 1.035 577 V CA -0.686 61.093 62.300 -0.868 0.000 0.889 577 V CB 0.707 31.610 31.823 -1.535 0.000 0.988 577 V HN 0.476 nan 8.190 nan 0.000 0.440 578 F N 1.887 121.657 119.950 -0.299 0.000 2.577 578 F HA 0.823 5.345 4.527 -0.009 0.000 0.318 578 F C 0.295 175.988 175.800 -0.178 0.000 1.065 578 F CA -0.275 57.606 58.000 -0.199 0.000 0.929 578 F CB 2.522 41.436 39.000 -0.143 0.000 1.237 578 F HN 0.623 nan 8.300 nan 0.000 0.468 579 S N 1.296 116.996 115.700 0.000 0.000 2.567 579 S HA 0.473 4.937 4.470 -0.009 0.000 0.270 579 S C -1.450 173.068 174.600 -0.137 0.000 1.152 579 S CA -1.161 56.932 58.200 -0.179 0.000 0.835 579 S CB 1.013 63.992 63.200 -0.369 0.000 1.115 579 S HN 0.616 nan 8.310 nan 0.000 0.459 580 L N 2.536 123.648 121.223 -0.185 0.000 2.700 580 L HA 0.022 4.357 4.340 -0.009 0.000 0.276 580 L C 0.230 177.054 176.870 -0.076 0.000 1.200 580 L CA 1.365 56.127 54.840 -0.129 0.000 0.951 580 L CB -0.804 41.173 42.059 -0.137 0.000 1.226 580 L HN 0.978 nan 8.230 nan 0.000 0.489 581 D N 2.899 123.281 120.400 -0.030 0.000 3.041 581 D HA -0.184 4.451 4.640 -0.009 0.000 0.220 581 D C 1.157 177.477 176.300 0.032 0.000 1.157 581 D CA 1.116 55.120 54.000 0.008 0.000 0.876 581 D CB -0.825 39.975 40.800 0.001 0.000 1.107 581 D HN 1.082 nan 8.370 nan 0.000 0.422 582 G N 0.810 109.631 108.800 0.036 0.000 2.258 582 G HA2 -0.406 3.549 3.960 -0.009 0.000 0.274 582 G HA3 -0.406 3.549 3.960 -0.009 0.000 0.274 582 G C 0.342 175.286 174.900 0.074 0.000 1.021 582 G CA 1.111 46.244 45.100 0.055 0.000 0.798 582 G HN 0.516 nan 8.290 nan 0.000 0.507 583 K N 0.271 120.692 120.400 0.034 0.000 2.484 583 K HA 0.322 4.636 4.320 -0.009 0.000 0.280 583 K C 0.670 177.373 176.600 0.173 0.000 1.013 583 K CA 0.838 57.159 56.287 0.056 0.000 1.029 583 K CB 0.055 32.541 32.500 -0.024 0.000 0.902 583 K HN 0.815 nan 8.250 nan 0.000 0.481 584 N N 1.981 120.789 118.700 0.181 0.000 3.127 584 N HA 0.263 4.998 4.740 -0.009 0.000 0.239 584 N C -2.738 172.804 175.510 0.053 0.000 1.407 584 N CA -1.258 51.936 53.050 0.240 0.000 0.891 584 N CB 1.734 40.407 38.487 0.309 0.000 1.447 584 N HN 0.046 nan 8.380 nan 0.000 0.507 585 P HA -0.092 nan 4.420 nan 0.000 0.221 585 P C 0.138 177.230 177.300 -0.346 0.000 1.145 585 P CA 1.238 64.150 63.100 -0.313 0.000 0.795 585 P CB -0.136 31.201 31.700 -0.604 0.000 0.775 586 Y N -0.614 119.692 120.300 0.011 0.000 2.529 586 Y HA -0.027 4.517 4.550 -0.009 0.000 0.290 586 Y C 1.872 177.790 175.900 0.030 0.000 1.177 586 Y CA 0.084 58.191 58.100 0.011 0.000 1.305 586 Y CB -1.176 37.288 38.460 0.008 0.000 1.047 586 Y HN -0.020 nan 8.280 nan 0.000 0.522 587 D N 0.132 120.598 120.400 0.111 0.000 2.149 587 D HA -0.170 4.464 4.640 -0.009 0.000 0.198 587 D C 0.459 176.797 176.300 0.064 0.000 0.990 587 D CA 1.305 55.355 54.000 0.084 0.000 0.839 587 D CB -0.180 40.657 40.800 0.062 0.000 0.948 587 D HN 0.285 nan 8.370 nan 0.000 0.460 588 D N 0.314 120.740 120.400 0.044 0.000 2.352 588 D HA -0.010 4.624 4.640 -0.009 0.000 0.245 588 D C 1.653 178.000 176.300 0.077 0.000 1.224 588 D CA -0.223 53.801 54.000 0.040 0.000 0.879 588 D CB 1.191 41.997 40.800 0.010 0.000 1.057 588 D HN -0.089 nan 8.370 nan 0.000 0.491 589 V N 2.394 122.352 119.914 0.073 0.000 2.594 589 V HA -0.163 3.951 4.120 -0.009 0.000 0.253 589 V C 1.492 177.635 176.094 0.081 0.000 1.069 589 V CA 1.158 63.509 62.300 0.085 0.000 1.082 589 V CB -0.517 31.340 31.823 0.055 0.000 0.680 589 V HN 0.446 nan 8.190 nan 0.000 0.469 590 N N 0.926 119.660 118.700 0.057 0.000 2.494 590 N HA 0.049 4.784 4.740 -0.009 0.000 0.182 590 N C 0.645 176.190 175.510 0.059 0.000 1.076 590 N CA 0.662 53.738 53.050 0.044 0.000 0.908 590 N CB -0.039 38.459 38.487 0.018 0.000 0.967 590 N HN 0.478 nan 8.380 nan 0.000 0.449 591 V N 1.199 121.162 119.914 0.083 0.000 2.493 591 V HA 0.155 4.270 4.120 -0.009 0.000 0.292 591 V C 1.415 177.634 176.094 0.208 0.000 1.016 591 V CA 0.531 62.883 62.300 0.087 0.000 1.097 591 V CB 0.056 31.854 31.823 -0.042 0.000 0.947 591 V HN 0.540 nan 8.190 nan 0.000 0.479 592 G N 3.360 112.235 108.800 0.126 0.000 2.160 592 G HA2 -0.177 3.777 3.960 -0.009 0.000 0.244 592 G HA3 -0.177 3.777 3.960 -0.009 0.000 0.244 592 G C -0.065 174.863 174.900 0.045 0.000 1.022 592 G CA -0.132 45.026 45.100 0.097 0.000 0.741 592 G HN 0.632 nan 8.290 nan 0.000 0.508 593 E N -1.366 118.860 120.200 0.043 0.000 2.204 593 E HA 0.469 4.813 4.350 -0.009 0.000 0.276 593 E C 0.730 177.366 176.600 0.059 0.000 0.974 593 E CA -0.984 55.444 56.400 0.047 0.000 0.815 593 E CB 1.172 30.892 29.700 0.034 0.000 1.119 593 E HN 0.198 nan 8.360 nan 0.000 0.393 594 Y N 3.266 123.548 120.300 -0.029 0.000 2.163 594 Y HA -0.133 4.412 4.550 -0.009 0.000 0.288 594 Y C 1.820 177.710 175.900 -0.017 0.000 1.136 594 Y CA 1.974 60.057 58.100 -0.028 0.000 1.147 594 Y CB 0.371 38.814 38.460 -0.029 0.000 0.987 594 Y HN 0.612 nan 8.280 nan 0.000 0.509 595 E N -0.066 120.105 120.200 -0.049 0.000 2.047 595 E HA -0.242 4.103 4.350 -0.009 0.000 0.191 595 E C 1.369 177.912 176.600 -0.095 0.000 0.987 595 E CA 1.441 57.781 56.400 -0.099 0.000 0.799 595 E CB -0.046 29.659 29.700 0.010 0.000 0.752 595 E HN 0.332 nan 8.360 nan 0.000 0.449 596 K N -1.930 118.443 120.400 -0.046 0.000 3.553 596 K HA -0.217 4.098 4.320 -0.009 0.000 0.280 596 K C 0.416 176.995 176.600 -0.035 0.000 1.061 596 K CA 1.247 57.510 56.287 -0.041 0.000 1.101 596 K CB -1.069 31.390 32.500 -0.068 0.000 1.421 596 K HN 0.309 nan 8.250 nan 0.000 0.440 597 G N 0.000 108.775 108.800 -0.042 0.000 5.446 597 G HA2 0.000 3.954 3.960 -0.009 0.000 0.244 597 G HA3 0.000 3.954 3.960 -0.009 0.000 0.244 597 G CA 0.000 45.084 45.100 -0.027 0.000 0.502 597 G HN 0.000 nan 8.290 nan 0.000 0.925