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 1un8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSQFFFNQRT HLVSDVIDGA IIASPWNNLA RLESDPAIRI VVRRDLNKNN DATA SEQUENCE VAVISGGGSG HEPAHVGFIG KGMLTAAVCG DVFASPSVDA VLTAIQAVTG DATA SEQUENCE EAGCLLIVKN YTGDRLNFGL AAEKARRLGY NVEMLIVGDD ISLPDNKHPR DATA SEQUENCE GIAGTILVHK IAGYFAERGY NLATVLREAQ YAASNTFSLG VALSSCHLPQ DATA SEQUENCE ETDAAPRHHP GHAELGMGIH GEPGASVIDT QNSAQVVNLM VDKLLAALPE DATA SEQUENCE TGRLAVMINN LGGVSVAEMA IITRELASSP LHSRIDWLIG PASLVTALDM DATA SEQUENCE KGFSLTAIVL EESIEKALLT EVETSNWPTP VPPREITCVV SSHASARVEF DATA SEQUENCE QPSANALVAG IVELVTATLS DLETHLNALD AKVGDGDTGS TFAAAAREIA DATA SEQUENCE SLLHRQQLPL NNLATLFALI GERLTVVMGG SSGVLMSIFF TAAGQKLEQG DATA SEQUENCE ANVVEALNTG LAQMKFYGGA DEGDRTMIDA LQPALTSLLA QPKNLQAAFD DATA SEQUENCE AAQAGAERTC LSSKANAXXX XXXXXESLLG NMDPGAQRLA MVFKALAESE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.317 176.300 0.029 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 S N 1.935 117.658 115.700 0.039 0.000 2.481 2 S HA 0.432 4.902 4.470 0.000 0.000 0.282 2 S C 0.037 174.653 174.600 0.027 0.000 1.243 2 S CA 0.403 58.650 58.200 0.077 0.000 1.078 2 S CB 0.285 63.571 63.200 0.143 0.000 0.916 2 S HN 0.692 nan 8.310 nan 0.000 0.495 3 Q N 4.879 124.676 119.800 -0.005 0.000 2.788 3 Q HA 0.440 4.780 4.340 0.000 0.000 0.278 3 Q C -1.638 174.309 176.000 -0.089 0.000 1.126 3 Q CA -0.401 55.289 55.803 -0.189 0.000 1.017 3 Q CB 0.225 28.685 28.738 -0.463 0.000 1.219 3 Q HN 0.779 nan 8.270 nan 0.000 0.503 4 F N 1.033 120.880 119.950 -0.172 0.000 2.588 4 F HA 0.418 4.945 4.527 0.000 0.000 0.314 4 F C -1.494 174.307 175.800 0.001 0.000 1.134 4 F CA -0.829 57.156 58.000 -0.025 0.000 0.961 4 F CB 1.389 40.503 39.000 0.190 0.000 1.239 4 F HN 0.168 nan 8.300 nan 0.000 0.448 5 F N 7.597 127.615 119.950 0.113 0.000 2.438 5 F HA 0.435 4.962 4.527 0.000 0.000 0.360 5 F C -0.340 175.710 175.800 0.417 0.000 1.118 5 F CA -0.225 57.853 58.000 0.131 0.000 1.164 5 F CB 0.387 39.373 39.000 -0.023 0.000 1.131 5 F HN 0.369 nan 8.300 nan 0.000 0.527 6 F N 1.694 121.869 119.950 0.375 0.000 2.817 6 F HA 0.468 4.995 4.527 0.000 0.000 0.317 6 F C -0.818 175.076 175.800 0.158 0.000 1.168 6 F CA -1.069 57.097 58.000 0.277 0.000 0.911 6 F CB 0.953 40.128 39.000 0.292 0.000 1.337 6 F HN 0.181 nan 8.300 nan 0.000 0.464 7 N N -0.415 118.443 118.700 0.263 0.000 2.528 7 N HA 0.201 4.941 4.740 0.000 0.000 0.208 7 N C -0.768 174.839 175.510 0.161 0.000 1.218 7 N CA 0.365 53.460 53.050 0.075 0.000 1.112 7 N CB 0.228 38.784 38.487 0.115 0.000 1.423 7 N HN 0.600 nan 8.380 nan 0.000 0.497 8 Q N 1.601 121.507 119.800 0.176 0.000 2.279 8 Q HA 0.138 4.478 4.340 0.000 0.000 0.256 8 Q C 0.501 176.602 176.000 0.167 0.000 0.937 8 Q CA -0.156 55.692 55.803 0.075 0.000 0.933 8 Q CB 1.786 30.382 28.738 -0.237 0.000 1.189 8 Q HN 0.341 nan 8.270 nan 0.000 0.417 9 R N 2.453 123.061 120.500 0.179 0.000 2.096 9 R HA -0.164 4.176 4.340 0.000 0.000 0.240 9 R C 1.842 178.091 176.300 -0.085 0.000 1.139 9 R CA 2.628 58.698 56.100 -0.051 0.000 0.952 9 R CB -0.784 29.460 30.300 -0.092 0.000 0.854 9 R HN 0.807 nan 8.270 nan 0.000 0.436 10 T N -2.859 111.653 114.554 -0.070 0.000 2.977 10 T HA -0.117 4.233 4.350 0.000 0.000 0.271 10 T C 1.322 176.105 174.700 0.138 0.000 1.105 10 T CA 1.618 63.709 62.100 -0.017 0.000 1.116 10 T CB -0.497 68.354 68.868 -0.029 0.000 0.878 10 T HN 0.582 nan 8.240 nan 0.000 0.509 11 H N -0.306 118.777 119.070 0.021 0.000 2.586 11 H HA 0.345 4.901 4.556 0.000 0.000 0.273 11 H C 1.874 177.222 175.328 0.034 0.000 0.997 11 H CA -0.568 55.498 56.048 0.031 0.000 1.177 11 H CB 0.282 30.073 29.762 0.050 0.000 1.471 11 H HN 0.069 nan 8.280 nan 0.000 0.538 12 L N 1.222 122.516 121.223 0.118 0.000 1.965 12 L HA -0.236 4.104 4.340 0.000 0.000 0.226 12 L C 2.099 179.004 176.870 0.060 0.000 1.083 12 L CA 1.803 56.677 54.840 0.056 0.000 0.790 12 L CB -0.975 41.005 42.059 -0.132 0.000 0.898 12 L HN 0.139 nan 8.230 nan 0.000 0.439 13 V N -0.698 119.230 119.914 0.023 0.000 2.332 13 V HA -0.276 3.844 4.120 0.000 0.000 0.248 13 V C 2.916 179.038 176.094 0.047 0.000 1.055 13 V CA 1.859 64.178 62.300 0.031 0.000 1.038 13 V CB -0.755 31.080 31.823 0.020 0.000 0.651 13 V HN 0.632 nan 8.190 nan 0.000 0.450 14 S N -0.344 115.384 115.700 0.046 0.000 2.368 14 S HA -0.241 4.229 4.470 0.000 0.000 0.225 14 S C 1.766 176.388 174.600 0.037 0.000 1.030 14 S CA 1.861 60.077 58.200 0.026 0.000 0.999 14 S CB -0.461 62.731 63.200 -0.014 0.000 0.844 14 S HN 0.664 nan 8.310 nan 0.000 0.459 15 D N 0.698 121.139 120.400 0.068 0.000 2.144 15 D HA -0.057 4.583 4.640 0.000 0.000 0.199 15 D C 2.082 178.423 176.300 0.069 0.000 0.984 15 D CA 0.948 54.994 54.000 0.076 0.000 0.834 15 D CB -0.548 40.325 40.800 0.122 0.000 0.955 15 D HN 0.306 nan 8.370 nan 0.000 0.465 16 V N 1.656 121.615 119.914 0.075 0.000 2.343 16 V HA -0.214 3.906 4.120 0.000 0.000 0.247 16 V C 2.554 178.679 176.094 0.051 0.000 1.051 16 V CA 0.998 63.339 62.300 0.068 0.000 1.036 16 V CB -0.245 31.622 31.823 0.073 0.000 0.654 16 V HN 0.213 nan 8.190 nan 0.000 0.451 17 I N 0.039 120.637 120.570 0.048 0.000 2.163 17 I HA -0.236 3.934 4.170 0.000 0.000 0.243 17 I C 2.374 178.510 176.117 0.032 0.000 1.085 17 I CA 1.827 63.151 61.300 0.041 0.000 1.347 17 I CB -0.902 37.121 38.000 0.038 0.000 1.044 17 I HN 0.360 nan 8.210 nan 0.000 0.408 18 D N 1.151 121.567 120.400 0.027 0.000 2.116 18 D HA -0.155 4.485 4.640 0.000 0.000 0.193 18 D C 2.159 178.472 176.300 0.021 0.000 0.998 18 D CA 1.753 55.765 54.000 0.021 0.000 0.836 18 D CB -0.525 40.285 40.800 0.017 0.000 0.951 18 D HN 0.408 nan 8.370 nan 0.000 0.449 19 G N 0.696 109.511 108.800 0.025 0.000 2.422 19 G HA2 -0.163 3.797 3.960 0.000 0.000 0.218 19 G HA3 -0.163 3.797 3.960 0.000 0.000 0.218 19 G C 1.721 176.630 174.900 0.016 0.000 1.146 19 G CA 1.195 46.306 45.100 0.019 0.000 0.769 19 G HN 0.402 nan 8.290 nan 0.000 0.547 20 A N 0.842 123.675 122.820 0.022 0.000 1.930 20 A HA 0.065 4.385 4.320 0.000 0.000 0.217 20 A C 2.356 179.953 177.584 0.022 0.000 1.175 20 A CA 1.219 53.267 52.037 0.019 0.000 0.627 20 A CB -0.230 18.785 19.000 0.025 0.000 0.815 20 A HN 0.317 nan 8.150 nan 0.000 0.443 21 I N 0.255 120.840 120.570 0.025 0.000 2.163 21 I HA -0.192 3.978 4.170 0.000 0.000 0.240 21 I C 2.284 178.414 176.117 0.022 0.000 1.081 21 I CA 1.106 62.422 61.300 0.028 0.000 1.353 21 I CB -0.957 37.058 38.000 0.026 0.000 1.054 21 I HN 0.215 nan 8.210 nan 0.000 0.407 22 I N 1.456 122.034 120.570 0.015 0.000 2.300 22 I HA -0.252 3.918 4.170 0.000 0.000 0.252 22 I C 2.282 178.401 176.117 0.003 0.000 1.119 22 I CA 1.615 62.920 61.300 0.007 0.000 1.384 22 I CB -1.273 36.729 38.000 0.003 0.000 1.062 22 I HN 0.196 nan 8.210 nan 0.000 0.426 23 A N -0.353 122.469 122.820 0.003 0.000 2.387 23 A HA 0.098 4.418 4.320 0.000 0.000 0.234 23 A C 1.207 178.790 177.584 -0.001 0.000 1.253 23 A CA -0.047 51.986 52.037 -0.005 0.000 0.894 23 A CB -0.189 18.806 19.000 -0.009 0.000 0.963 23 A HN 0.254 nan 8.150 nan 0.000 0.508 24 S N 1.358 117.069 115.700 0.018 0.000 2.670 24 S HA 0.139 4.609 4.470 0.000 0.000 0.308 24 S C -1.059 173.551 174.600 0.017 0.000 1.232 24 S CA -0.725 57.502 58.200 0.045 0.000 1.126 24 S CB 0.464 63.708 63.200 0.073 0.000 0.897 24 S HN 0.280 nan 8.310 nan 0.000 0.508 25 P HA -0.018 nan 4.420 nan 0.000 0.215 25 P C 0.371 177.513 177.300 -0.264 0.000 1.153 25 P CA 1.225 64.210 63.100 -0.193 0.000 0.853 25 P CB 0.024 31.547 31.700 -0.295 0.000 0.788 26 W N -1.516 119.793 121.300 0.015 0.000 3.077 26 W HA 0.256 4.916 4.660 0.000 0.000 0.266 26 W C 0.531 177.057 176.519 0.012 0.000 1.300 26 W CA 0.021 57.376 57.345 0.017 0.000 1.586 26 W CB -1.115 28.358 29.460 0.022 0.000 1.103 26 W HN -0.009 nan 8.180 nan 0.000 0.652 27 N N 2.062 120.873 118.700 0.184 0.000 2.735 27 N HA -0.244 4.496 4.740 0.000 0.000 0.248 27 N C 0.286 175.873 175.510 0.130 0.000 1.083 27 N CA 0.744 53.864 53.050 0.117 0.000 0.703 27 N CB -1.133 37.400 38.487 0.077 0.000 1.005 27 N HN 0.317 nan 8.380 nan 0.000 0.550 28 N N 0.187 118.983 118.700 0.160 0.000 2.234 28 N HA 0.156 4.896 4.740 0.000 0.000 0.227 28 N C -0.304 175.248 175.510 0.070 0.000 1.151 28 N CA -0.049 53.066 53.050 0.108 0.000 0.865 28 N CB 0.164 38.710 38.487 0.098 0.000 1.066 28 N HN 0.328 nan 8.380 nan 0.000 0.515 29 L N 0.309 121.574 121.223 0.071 0.000 2.342 29 L HA 0.896 5.236 4.340 0.000 0.000 0.271 29 L C -0.385 176.509 176.870 0.040 0.000 1.008 29 L CA -1.117 53.755 54.840 0.052 0.000 0.818 29 L CB 1.998 44.091 42.059 0.057 0.000 1.296 29 L HN 0.079 nan 8.230 nan 0.000 0.427 30 A N 2.107 124.946 122.820 0.032 0.000 2.547 30 A HA 0.663 4.983 4.320 0.000 0.000 0.297 30 A C -0.964 176.633 177.584 0.021 0.000 1.056 30 A CA -0.763 51.289 52.037 0.025 0.000 0.688 30 A CB 1.528 20.541 19.000 0.021 0.000 1.282 30 A HN 0.722 nan 8.150 nan 0.000 0.400 31 R N 0.098 120.608 120.500 0.017 0.000 2.615 31 R HA 0.448 4.788 4.340 0.000 0.000 0.270 31 R C -0.868 175.437 176.300 0.008 0.000 1.081 31 R CA -0.528 55.580 56.100 0.013 0.000 1.154 31 R CB 0.715 31.020 30.300 0.008 0.000 1.063 31 R HN 0.558 nan 8.270 nan 0.000 0.519 32 L N 1.312 122.538 121.223 0.005 0.000 2.296 32 L HA 0.186 4.526 4.340 0.000 0.000 0.286 32 L C 0.023 176.891 176.870 -0.003 0.000 1.023 32 L CA -0.094 54.746 54.840 0.001 0.000 0.812 32 L CB 1.395 43.452 42.059 -0.002 0.000 1.223 32 L HN 0.533 nan 8.230 nan 0.000 0.421 33 E N 3.603 123.802 120.200 -0.003 0.000 2.465 33 E HA 0.354 4.704 4.350 0.000 0.000 0.260 33 E C -0.761 175.835 176.600 -0.007 0.000 0.980 33 E CA 0.574 56.971 56.400 -0.005 0.000 0.927 33 E CB 0.436 30.134 29.700 -0.003 0.000 0.934 33 E HN 0.802 nan 8.360 nan 0.000 0.459 34 S N 3.227 118.922 115.700 -0.010 0.000 2.660 34 S HA 0.089 4.559 4.470 0.000 0.000 0.264 34 S C -0.981 173.612 174.600 -0.012 0.000 1.131 34 S CA -1.105 57.088 58.200 -0.011 0.000 0.846 34 S CB 0.703 63.895 63.200 -0.015 0.000 1.151 34 S HN 0.603 nan 8.310 nan 0.000 0.486 35 D N 0.872 121.265 120.400 -0.012 0.000 2.399 35 D HA 0.274 4.914 4.640 0.000 0.000 0.241 35 D C -1.487 174.806 176.300 -0.011 0.000 1.133 35 D CA -1.334 52.660 54.000 -0.010 0.000 0.890 35 D CB 1.112 41.906 40.800 -0.009 0.000 1.201 35 D HN 0.173 nan 8.370 nan 0.000 0.432 36 P HA -0.103 nan 4.420 nan 0.000 0.218 36 P C 0.583 177.881 177.300 -0.003 0.000 1.146 36 P CA 1.350 64.443 63.100 -0.012 0.000 0.813 36 P CB 0.135 31.831 31.700 -0.005 0.000 0.778 37 A N -1.814 121.006 122.820 -0.001 0.000 2.235 37 A HA 0.059 4.379 4.320 0.000 0.000 0.208 37 A C 0.905 178.484 177.584 -0.008 0.000 1.172 37 A CA 0.459 52.496 52.037 -0.001 0.000 0.786 37 A CB -0.860 18.139 19.000 -0.002 0.000 0.804 37 A HN 0.142 nan 8.150 nan 0.000 0.479 38 I N -0.170 120.392 120.570 -0.012 0.000 2.362 38 I HA 0.336 4.506 4.170 0.000 0.000 0.289 38 I C 0.090 176.201 176.117 -0.010 0.000 0.994 38 I CA -0.204 61.085 61.300 -0.019 0.000 1.158 38 I CB 1.734 39.718 38.000 -0.027 0.000 1.315 38 I HN 0.024 nan 8.210 nan 0.000 0.451 39 R N 7.178 127.677 120.500 -0.003 0.000 2.402 39 R HA 0.573 4.913 4.340 0.000 0.000 0.290 39 R C -1.114 175.197 176.300 0.019 0.000 1.321 39 R CA -0.276 55.831 56.100 0.010 0.000 1.283 39 R CB 0.715 31.028 30.300 0.022 0.000 1.111 39 R HN 0.524 nan 8.270 nan 0.000 0.578 40 I N 2.503 123.080 120.570 0.011 0.000 2.404 40 I HA 0.409 4.579 4.170 0.000 0.000 0.293 40 I C -0.246 175.885 176.117 0.024 0.000 0.992 40 I CA -1.229 60.081 61.300 0.017 0.000 1.149 40 I CB 2.103 40.102 38.000 -0.003 0.000 1.315 40 I HN 0.082 nan 8.210 nan 0.000 0.446 41 V N 6.816 126.753 119.914 0.038 0.000 2.513 41 V HA 0.527 4.647 4.120 0.000 0.000 0.299 41 V C -0.236 175.879 176.094 0.035 0.000 1.035 41 V CA -0.615 61.709 62.300 0.039 0.000 0.889 41 V CB 2.615 34.470 31.823 0.054 0.000 0.988 41 V HN 0.510 nan 8.190 nan 0.000 0.440 42 V N 5.554 125.484 119.914 0.026 0.000 3.102 42 V HA 0.661 4.781 4.120 0.000 0.000 0.312 42 V C -0.382 175.723 176.094 0.019 0.000 1.135 42 V CA -0.972 61.340 62.300 0.019 0.000 1.022 42 V CB 2.550 34.379 31.823 0.010 0.000 1.056 42 V HN 1.006 nan 8.190 nan 0.000 0.436 43 R N 3.016 123.523 120.500 0.012 0.000 2.490 43 R HA 0.497 4.837 4.340 0.000 0.000 0.278 43 R C 0.129 176.434 176.300 0.008 0.000 1.069 43 R CA -0.471 55.634 56.100 0.009 0.000 1.080 43 R CB 0.840 31.135 30.300 -0.008 0.000 1.030 43 R HN 0.622 nan 8.270 nan 0.000 0.491 44 R N 0.600 121.108 120.500 0.014 0.000 2.275 44 R HA -0.008 4.332 4.340 0.000 0.000 0.199 44 R C -0.121 176.183 176.300 0.006 0.000 0.989 44 R CA 0.748 56.857 56.100 0.015 0.000 1.016 44 R CB 0.128 30.443 30.300 0.026 0.000 0.918 44 R HN 0.702 nan 8.270 nan 0.000 0.473 45 D N 0.583 120.980 120.400 -0.004 0.000 2.400 45 D HA 0.025 4.665 4.640 0.000 0.000 0.243 45 D C -0.387 175.903 176.300 -0.017 0.000 1.184 45 D CA 0.165 54.155 54.000 -0.016 0.000 0.853 45 D CB 0.064 40.840 40.800 -0.040 0.000 0.944 45 D HN 0.076 nan 8.370 nan 0.000 0.501 46 L N 1.587 122.805 121.223 -0.007 0.000 2.745 46 L HA -0.073 4.267 4.340 0.000 0.000 0.273 46 L C 0.487 177.353 176.870 -0.006 0.000 1.156 46 L CA 0.340 55.177 54.840 -0.005 0.000 0.982 46 L CB 0.055 42.115 42.059 0.002 0.000 1.295 46 L HN 0.052 nan 8.230 nan 0.000 0.483 47 N N 4.014 122.709 118.700 -0.010 0.000 2.904 47 N HA 0.119 4.859 4.740 0.000 0.000 0.257 47 N C 0.565 176.073 175.510 -0.003 0.000 1.363 47 N CA -0.448 52.596 53.050 -0.009 0.000 0.856 47 N CB 0.648 39.123 38.487 -0.019 0.000 1.166 47 N HN 0.363 nan 8.380 nan 0.000 0.499 48 K N 0.412 120.815 120.400 0.006 0.000 2.589 48 K HA -0.038 4.282 4.320 0.000 0.000 0.195 48 K C 0.651 177.259 176.600 0.014 0.000 1.040 48 K CA 0.415 56.712 56.287 0.016 0.000 0.950 48 K CB 0.175 32.691 32.500 0.026 0.000 0.781 48 K HN 0.420 nan 8.250 nan 0.000 0.486 49 N N 0.709 119.412 118.700 0.004 0.000 2.354 49 N HA -0.043 4.697 4.740 0.000 0.000 0.179 49 N C 0.354 175.866 175.510 0.002 0.000 1.021 49 N CA 0.631 53.681 53.050 -0.000 0.000 0.887 49 N CB 0.051 38.533 38.487 -0.009 0.000 0.974 49 N HN 0.202 nan 8.380 nan 0.000 0.437 50 N N 0.152 118.854 118.700 0.002 0.000 2.476 50 N HA 0.173 4.913 4.740 0.000 0.000 0.275 50 N C -0.323 175.200 175.510 0.021 0.000 1.190 50 N CA -0.405 52.651 53.050 0.009 0.000 0.977 50 N CB 1.528 40.014 38.487 -0.002 0.000 1.200 50 N HN -0.277 nan 8.380 nan 0.000 0.515 51 V N 1.088 121.023 119.914 0.035 0.000 2.637 51 V HA 0.224 4.344 4.120 0.000 0.000 0.296 51 V C 0.629 176.739 176.094 0.026 0.000 1.046 51 V CA -0.514 61.809 62.300 0.039 0.000 1.066 51 V CB 0.574 32.429 31.823 0.054 0.000 0.968 51 V HN 0.733 nan 8.190 nan 0.000 0.483 52 A N 5.290 128.124 122.820 0.023 0.000 2.363 52 A HA 0.613 4.933 4.320 0.000 0.000 0.270 52 A C -0.382 177.204 177.584 0.003 0.000 1.121 52 A CA -0.348 51.694 52.037 0.009 0.000 0.800 52 A CB 0.648 19.653 19.000 0.008 0.000 1.052 52 A HN 0.700 nan 8.150 nan 0.000 0.493 53 V N 5.028 124.933 119.914 -0.016 0.000 2.304 53 V HA 0.281 4.401 4.120 0.000 0.000 0.278 53 V C -0.120 175.937 176.094 -0.062 0.000 1.018 53 V CA 0.010 62.289 62.300 -0.035 0.000 0.814 53 V CB 0.337 32.130 31.823 -0.051 0.000 1.021 53 V HN 0.747 nan 8.190 nan 0.000 0.440 54 I N 3.162 123.713 120.570 -0.032 0.000 2.498 54 I HA 0.610 4.780 4.170 0.000 0.000 0.301 54 I C 0.486 176.589 176.117 -0.022 0.000 0.984 54 I CA 0.391 61.686 61.300 -0.009 0.000 1.204 54 I CB 2.041 40.071 38.000 0.050 0.000 1.362 54 I HN 0.667 nan 8.210 nan 0.000 0.471 55 S N 2.327 118.010 115.700 -0.029 0.000 2.998 55 S HA 0.974 5.444 4.470 0.000 0.000 0.321 55 S C -0.393 174.218 174.600 0.018 0.000 1.171 55 S CA 0.125 58.261 58.200 -0.108 0.000 0.882 55 S CB 1.675 64.695 63.200 -0.299 0.000 1.301 55 S HN 1.069 nan 8.310 nan 0.000 0.629 56 G N -0.629 108.044 108.800 -0.212 0.000 2.260 56 G HA2 0.513 4.473 3.960 0.000 0.000 0.250 56 G HA3 0.513 4.473 3.960 0.000 0.000 0.250 56 G C 0.227 175.271 174.900 0.239 0.000 1.340 56 G CA 0.275 45.459 45.100 0.140 0.000 1.056 56 G HN 2.224 nan 8.290 nan 0.000 0.471 57 G N -1.911 107.141 108.800 0.420 0.000 2.316 57 G HA2 0.588 4.548 3.960 0.000 0.000 0.349 57 G HA3 0.588 4.548 3.960 0.000 0.000 0.349 57 G C 0.567 175.678 174.900 0.352 0.000 1.274 57 G CA 0.728 46.069 45.100 0.402 0.000 1.018 57 G HN 2.316 nan 8.290 nan 0.000 0.486 58 G N -0.216 108.778 108.800 0.324 0.000 2.554 58 G HA2 0.527 4.487 3.960 0.000 0.000 0.238 58 G HA3 0.527 4.487 3.960 0.000 0.000 0.238 58 G C 0.555 175.619 174.900 0.273 0.000 1.259 58 G CA 1.136 46.399 45.100 0.272 0.000 0.843 58 G HN 1.295 nan 8.290 nan 0.000 0.582 59 S N -0.977 114.814 115.700 0.151 0.000 2.681 59 S HA 0.669 5.139 4.470 0.000 0.000 0.270 59 S C 1.156 175.694 174.600 -0.102 0.000 1.209 59 S CA 0.521 58.755 58.200 0.056 0.000 0.988 59 S CB 1.461 64.685 63.200 0.039 0.000 1.006 59 S HN 1.937 nan 8.310 nan 0.000 0.558 60 G N 0.283 108.999 108.800 -0.140 0.000 2.143 60 G HA2 -0.123 3.837 3.960 0.000 0.000 0.175 60 G HA3 -0.123 3.837 3.960 0.000 0.000 0.175 60 G C -0.058 174.776 174.900 -0.110 0.000 1.004 60 G CA -0.312 44.689 45.100 -0.166 0.000 0.671 60 G HN 0.714 nan 8.290 nan 0.000 0.512 61 H N 0.074 119.262 119.070 0.196 0.000 2.767 61 H HA 0.275 4.831 4.556 0.000 0.000 0.260 61 H C 0.570 175.949 175.328 0.084 0.000 1.172 61 H CA -0.132 55.989 56.048 0.122 0.000 1.048 61 H CB 0.544 30.339 29.762 0.056 0.000 1.697 61 H HN 0.474 nan 8.280 nan 0.000 0.606 62 E N 3.077 123.366 120.200 0.148 0.000 2.481 62 E HA -0.034 4.316 4.350 0.000 0.000 0.263 62 E C -1.320 175.341 176.600 0.101 0.000 0.992 62 E CA -0.903 55.559 56.400 0.103 0.000 0.938 62 E CB 0.780 30.522 29.700 0.071 0.000 0.933 62 E HN 0.192 nan 8.360 nan 0.000 0.453 63 P HA -0.053 nan 4.420 nan 0.000 0.239 63 P C -0.360 176.947 177.300 0.011 0.000 1.184 63 P CA 0.462 63.551 63.100 -0.018 0.000 0.760 63 P CB 0.233 31.834 31.700 -0.165 0.000 0.884 64 A N 0.369 123.291 122.820 0.170 0.000 2.440 64 A HA 0.146 4.466 4.320 0.000 0.000 0.251 64 A C 0.795 178.433 177.584 0.090 0.000 1.089 64 A CA -0.071 52.046 52.037 0.132 0.000 0.779 64 A CB -0.194 18.699 19.000 -0.178 0.000 1.022 64 A HN 0.198 nan 8.150 nan 0.000 0.492 65 H N 1.819 121.071 119.070 0.303 0.000 2.827 65 H HA 0.049 4.605 4.556 0.000 0.000 0.269 65 H C 1.640 177.124 175.328 0.259 0.000 1.031 65 H CA 0.815 57.099 56.048 0.393 0.000 1.202 65 H CB 0.428 30.411 29.762 0.369 0.000 1.511 65 H HN 0.476 nan 8.280 nan 0.000 0.517 66 V N 0.707 120.763 119.914 0.236 0.000 2.469 66 V HA -0.195 3.925 4.120 0.000 0.000 0.251 66 V C 2.588 178.694 176.094 0.020 0.000 1.064 66 V CA 2.035 64.409 62.300 0.123 0.000 1.066 66 V CB -0.818 31.058 31.823 0.088 0.000 0.667 66 V HN 0.495 nan 8.190 nan 0.000 0.461 67 G N -1.329 107.385 108.800 -0.142 0.000 2.679 67 G HA2 -0.125 3.835 3.960 0.000 0.000 0.212 67 G HA3 -0.125 3.835 3.960 0.000 0.000 0.212 67 G C 0.832 175.350 174.900 -0.637 0.000 1.137 67 G CA 0.159 44.998 45.100 -0.434 0.000 0.787 67 G HN 0.587 nan 8.290 nan 0.000 0.534 68 F N 0.207 120.277 119.950 0.201 0.000 2.791 68 F HA 0.492 5.019 4.527 0.000 0.000 0.308 68 F C 0.395 176.258 175.800 0.105 0.000 1.138 68 F CA -0.815 57.307 58.000 0.202 0.000 1.294 68 F CB 0.489 39.671 39.000 0.304 0.000 0.975 68 F HN -0.121 nan 8.300 nan 0.000 0.512 69 I N 0.939 121.600 120.570 0.153 0.000 2.353 69 I HA 0.698 4.868 4.170 0.000 0.000 0.293 69 I C 0.617 176.750 176.117 0.027 0.000 0.992 69 I CA -0.074 61.272 61.300 0.077 0.000 1.268 69 I CB 1.055 39.094 38.000 0.064 0.000 1.387 69 I HN 0.314 nan 8.210 nan 0.000 0.478 70 G N 4.919 113.705 108.800 -0.022 0.000 2.359 70 G HA2 -0.026 3.934 3.960 0.000 0.000 0.314 70 G HA3 -0.026 3.934 3.960 0.000 0.000 0.314 70 G C -1.126 173.692 174.900 -0.136 0.000 1.364 70 G CA -1.043 43.999 45.100 -0.097 0.000 0.978 70 G HN 0.623 nan 8.290 nan 0.000 0.615 71 K N 0.186 120.466 120.400 -0.201 0.000 2.473 71 K HA 0.354 4.674 4.320 0.000 0.000 0.277 71 K C 1.496 177.975 176.600 -0.201 0.000 1.052 71 K CA 1.968 58.135 56.287 -0.200 0.000 1.114 71 K CB -0.267 32.083 32.500 -0.251 0.000 0.869 71 K HN 2.335 nan 8.250 nan 0.000 0.481 72 G N 2.908 111.610 108.800 -0.163 0.000 2.194 72 G HA2 -0.261 3.699 3.960 0.000 0.000 0.236 72 G HA3 -0.261 3.699 3.960 0.000 0.000 0.236 72 G C 0.100 174.908 174.900 -0.154 0.000 0.987 72 G CA 0.425 45.423 45.100 -0.170 0.000 0.635 72 G HN 0.582 nan 8.290 nan 0.000 0.520 73 M N -1.585 117.946 119.600 -0.115 0.000 3.328 73 M HA 0.577 5.057 4.480 0.000 0.000 0.423 73 M C -0.525 175.737 176.300 -0.064 0.000 1.828 73 M CA -0.967 54.287 55.300 -0.076 0.000 0.781 73 M CB 0.059 32.648 32.600 -0.018 0.000 2.952 73 M HN -0.039 nan 8.290 nan 0.000 0.476 74 L N 1.454 122.641 121.223 -0.059 0.000 2.593 74 L HA -0.041 4.299 4.340 0.000 0.000 0.287 74 L C 1.225 178.067 176.870 -0.047 0.000 1.243 74 L CA 1.165 55.946 54.840 -0.097 0.000 0.890 74 L CB -0.017 41.990 42.059 -0.087 0.000 1.134 74 L HN 0.694 nan 8.230 nan 0.000 0.502 75 T N 1.803 116.327 114.554 -0.049 0.000 2.976 75 T HA 0.412 4.762 4.350 0.000 0.000 0.257 75 T C 0.385 175.079 174.700 -0.010 0.000 1.051 75 T CA 0.854 62.938 62.100 -0.027 0.000 1.141 75 T CB 0.239 69.094 68.868 -0.023 0.000 0.881 75 T HN 0.715 nan 8.240 nan 0.000 0.461 76 A N 0.058 122.874 122.820 -0.007 0.000 2.610 76 A HA 0.840 5.160 4.320 0.000 0.000 0.291 76 A C -1.833 175.772 177.584 0.034 0.000 1.086 76 A CA -0.524 51.523 52.037 0.016 0.000 0.677 76 A CB 1.000 20.005 19.000 0.009 0.000 1.278 76 A HN 0.371 nan 8.150 nan 0.000 0.414 77 A N 0.119 122.979 122.820 0.067 0.000 2.398 77 A HA 0.670 4.990 4.320 0.000 0.000 0.301 77 A C -1.095 176.557 177.584 0.114 0.000 1.041 77 A CA -0.434 51.670 52.037 0.113 0.000 0.711 77 A CB 1.355 20.464 19.000 0.181 0.000 1.240 77 A HN 1.621 nan 8.150 nan 0.000 0.420 78 V N 1.210 121.212 119.914 0.146 0.000 2.333 78 V HA 0.287 4.407 4.120 0.000 0.000 0.274 78 V C -0.175 176.011 176.094 0.154 0.000 1.028 78 V CA -0.686 61.673 62.300 0.099 0.000 0.851 78 V CB 0.470 32.295 31.823 0.004 0.000 1.000 78 V HN 0.891 nan 8.190 nan 0.000 0.456 79 C N 5.027 124.398 119.300 0.118 0.000 2.265 79 C HA 0.730 5.190 4.460 0.000 0.000 0.332 79 C C 1.310 176.357 174.990 0.096 0.000 1.248 79 C CA -0.543 58.556 59.018 0.134 0.000 1.727 79 C CB -0.219 27.590 27.740 0.114 0.000 2.348 79 C HN 1.043 nan 8.230 nan 0.000 0.519 80 G N 1.870 110.743 108.800 0.121 0.000 2.543 80 G HA2 0.370 4.330 3.960 0.000 0.000 0.290 80 G HA3 0.370 4.330 3.960 0.000 0.000 0.290 80 G C -0.329 174.608 174.900 0.062 0.000 1.310 80 G CA -0.040 45.109 45.100 0.083 0.000 1.025 80 G HN 0.677 nan 8.290 nan 0.000 0.502 81 D N -1.488 118.932 120.400 0.034 0.000 2.393 81 D HA 0.098 4.738 4.640 0.000 0.000 0.246 81 D C 0.722 177.020 176.300 -0.004 0.000 1.275 81 D CA -0.355 53.644 54.000 -0.003 0.000 0.979 81 D CB 0.980 41.766 40.800 -0.024 0.000 1.101 81 D HN 0.029 nan 8.370 nan 0.000 0.505 82 V N 3.281 123.142 119.914 -0.089 0.000 2.506 82 V HA -0.079 4.041 4.120 0.000 0.000 0.296 82 V C 0.851 176.943 176.094 -0.003 0.000 1.004 82 V CA 0.615 62.810 62.300 -0.175 0.000 1.150 82 V CB -1.166 30.420 31.823 -0.394 0.000 0.911 82 V HN 0.663 nan 8.190 nan 0.000 0.476 83 F N 0.850 120.779 119.950 -0.036 0.000 3.100 83 F HA -0.292 4.235 4.527 0.000 0.000 0.284 83 F C 0.791 176.550 175.800 -0.069 0.000 0.875 83 F CA 0.250 58.266 58.000 0.026 0.000 1.039 83 F CB -0.884 38.153 39.000 0.062 0.000 1.111 83 F HN 0.722 nan 8.300 nan 0.000 0.575 84 A N 0.272 123.175 122.820 0.139 0.000 2.374 84 A HA 0.659 4.979 4.320 0.000 0.000 0.305 84 A C 0.078 177.706 177.584 0.074 0.000 1.053 84 A CA -0.330 51.741 52.037 0.056 0.000 0.726 84 A CB 1.276 20.296 19.000 0.033 0.000 1.229 84 A HN 0.072 nan 8.150 nan 0.000 0.431 85 S N 2.846 118.583 115.700 0.062 0.000 2.563 85 S HA 0.324 4.794 4.470 0.000 0.000 0.284 85 S C -2.142 172.505 174.600 0.080 0.000 1.331 85 S CA -0.165 58.102 58.200 0.111 0.000 1.047 85 S CB -0.016 63.252 63.200 0.115 0.000 0.859 85 S HN 0.616 nan 8.310 nan 0.000 0.514 86 P HA 0.174 nan 4.420 nan 0.000 0.272 86 P C -0.389 176.877 177.300 -0.056 0.000 1.240 86 P CA -0.556 62.543 63.100 -0.002 0.000 0.791 86 P CB 0.403 32.073 31.700 -0.050 0.000 0.978 87 S N -0.191 115.467 115.700 -0.070 0.000 2.603 87 S HA 0.107 4.577 4.470 0.000 0.000 0.268 87 S C 1.294 175.819 174.600 -0.126 0.000 1.317 87 S CA -0.577 57.579 58.200 -0.073 0.000 1.012 87 S CB 0.130 63.299 63.200 -0.052 0.000 0.926 87 S HN 0.166 nan 8.310 nan 0.000 0.539 88 V N 1.238 121.092 119.914 -0.100 0.000 2.332 88 V HA -0.177 3.943 4.120 0.000 0.000 0.248 88 V C 2.577 178.597 176.094 -0.123 0.000 1.055 88 V CA 2.261 64.491 62.300 -0.117 0.000 1.038 88 V CB -1.029 30.754 31.823 -0.065 0.000 0.651 88 V HN 0.992 nan 8.190 nan 0.000 0.450 89 D N 0.138 120.486 120.400 -0.087 0.000 2.116 89 D HA -0.208 4.432 4.640 0.000 0.000 0.193 89 D C 2.222 178.463 176.300 -0.097 0.000 0.998 89 D CA 1.889 55.844 54.000 -0.075 0.000 0.836 89 D CB 0.018 40.787 40.800 -0.052 0.000 0.951 89 D HN 0.416 nan 8.370 nan 0.000 0.449 90 A N 0.451 123.205 122.820 -0.109 0.000 1.883 90 A HA -0.167 4.153 4.320 0.000 0.000 0.217 90 A C 2.651 180.133 177.584 -0.170 0.000 1.186 90 A CA 1.867 53.833 52.037 -0.118 0.000 0.624 90 A CB -0.914 18.021 19.000 -0.109 0.000 0.822 90 A HN 0.210 nan 8.150 nan 0.000 0.444 91 V N -0.253 119.498 119.914 -0.271 0.000 2.332 91 V HA -0.243 3.877 4.120 0.000 0.000 0.248 91 V C 2.492 178.452 176.094 -0.223 0.000 1.055 91 V CA 1.967 64.050 62.300 -0.361 0.000 1.038 91 V CB -0.905 30.533 31.823 -0.641 0.000 0.651 91 V HN 0.577 nan 8.190 nan 0.000 0.450 92 L N 0.302 121.416 121.223 -0.182 0.000 1.989 92 L HA -0.179 4.161 4.340 0.000 0.000 0.211 92 L C 2.523 179.302 176.870 -0.152 0.000 1.071 92 L CA 2.625 57.373 54.840 -0.154 0.000 0.749 92 L CB -1.266 40.727 42.059 -0.109 0.000 0.890 92 L HN 0.367 nan 8.230 nan 0.000 0.431 93 T N 0.048 114.533 114.554 -0.115 0.000 2.685 93 T HA -0.272 4.078 4.350 0.000 0.000 0.268 93 T C 1.862 176.506 174.700 -0.094 0.000 1.034 93 T CA 1.624 63.671 62.100 -0.088 0.000 1.149 93 T CB -0.628 68.201 68.868 -0.065 0.000 0.860 93 T HN 0.567 nan 8.240 nan 0.000 0.449 94 A N 0.756 123.514 122.820 -0.103 0.000 1.898 94 A HA 0.003 4.323 4.320 0.000 0.000 0.216 94 A C 2.168 179.687 177.584 -0.109 0.000 1.181 94 A CA 1.081 53.068 52.037 -0.083 0.000 0.620 94 A CB -0.613 18.348 19.000 -0.066 0.000 0.819 94 A HN 0.371 nan 8.150 nan 0.000 0.442 95 I N 0.388 120.858 120.570 -0.167 0.000 2.099 95 I HA -0.292 3.878 4.170 0.000 0.000 0.239 95 I C 2.648 178.545 176.117 -0.366 0.000 1.066 95 I CA 1.682 62.829 61.300 -0.255 0.000 1.324 95 I CB -0.830 36.971 38.000 -0.333 0.000 1.037 95 I HN 0.403 nan 8.210 nan 0.000 0.401 96 Q N -0.177 119.378 119.800 -0.408 0.000 2.170 96 Q HA -0.145 4.195 4.340 0.000 0.000 0.203 96 Q C 2.271 178.245 176.000 -0.044 0.000 0.976 96 Q CA 1.603 57.238 55.803 -0.279 0.000 0.858 96 Q CB -0.336 28.340 28.738 -0.105 0.000 0.907 96 Q HN 0.596 nan 8.270 nan 0.000 0.433 97 A N 0.668 123.453 122.820 -0.058 0.000 2.016 97 A HA -0.042 4.278 4.320 0.000 0.000 0.217 97 A C 1.923 179.507 177.584 0.001 0.000 1.162 97 A CA 1.374 53.403 52.037 -0.014 0.000 0.662 97 A CB 0.113 19.099 19.000 -0.022 0.000 0.812 97 A HN 0.297 nan 8.150 nan 0.000 0.450 98 V N -4.609 115.298 119.914 -0.011 0.000 3.398 98 V HA 0.287 4.407 4.120 0.000 0.000 0.298 98 V C 0.121 176.228 176.094 0.022 0.000 1.496 98 V CA 0.212 62.515 62.300 0.005 0.000 1.044 98 V CB -0.199 31.621 31.823 -0.006 0.000 0.880 98 V HN 0.116 nan 8.190 nan 0.000 0.443 99 T N 2.088 116.664 114.554 0.037 0.000 2.767 99 T HA 0.737 5.087 4.350 0.000 0.000 0.284 99 T C 0.520 175.329 174.700 0.181 0.000 0.973 99 T CA 0.401 62.556 62.100 0.092 0.000 0.996 99 T CB 1.411 70.317 68.868 0.064 0.000 0.927 99 T HN 0.640 nan 8.240 nan 0.000 0.456 100 G N 1.139 110.012 108.800 0.120 0.000 2.795 100 G HA2 0.368 4.328 3.960 0.000 0.000 0.267 100 G HA3 0.368 4.328 3.960 0.000 0.000 0.267 100 G C 0.626 175.573 174.900 0.079 0.000 1.362 100 G CA -0.592 44.562 45.100 0.090 0.000 1.048 100 G HN 0.718 nan 8.290 nan 0.000 0.547 101 E N -0.690 119.529 120.200 0.032 0.000 2.209 101 E HA -0.156 4.194 4.350 0.000 0.000 0.196 101 E C 2.627 179.245 176.600 0.030 0.000 0.993 101 E CA 1.037 57.445 56.400 0.014 0.000 0.819 101 E CB -0.086 29.611 29.700 -0.006 0.000 0.745 101 E HN 0.438 nan 8.360 nan 0.000 0.477 102 A N 0.851 123.692 122.820 0.035 0.000 2.070 102 A HA 0.086 4.406 4.320 0.000 0.000 0.220 102 A C 1.248 178.862 177.584 0.050 0.000 1.159 102 A CA 1.188 53.247 52.037 0.036 0.000 0.656 102 A CB -0.679 18.340 19.000 0.032 0.000 0.800 102 A HN 0.365 nan 8.150 nan 0.000 0.453 103 G N -2.368 106.475 108.800 0.071 0.000 2.757 103 G HA2 0.080 4.040 3.960 0.000 0.000 0.638 103 G HA3 0.080 4.040 3.960 0.000 0.000 0.638 103 G C -0.142 174.797 174.900 0.065 0.000 1.344 103 G CA -0.186 44.965 45.100 0.084 0.000 0.855 103 G HN 2.141 nan 8.290 nan 0.000 0.537 104 C N -1.312 118.021 119.300 0.056 0.000 2.898 104 C HA 0.870 5.330 4.460 0.000 0.000 0.304 104 C C -0.361 174.648 174.990 0.031 0.000 1.237 104 C CA -1.002 58.037 59.018 0.035 0.000 1.529 104 C CB 1.172 28.922 27.740 0.016 0.000 2.021 104 C HN 1.992 nan 8.230 nan 0.000 0.474 105 L N 3.053 124.290 121.223 0.024 0.000 2.287 105 L HA 0.690 5.030 4.340 0.000 0.000 0.287 105 L C -0.661 176.220 176.870 0.019 0.000 1.022 105 L CA -0.593 54.260 54.840 0.022 0.000 0.814 105 L CB 0.838 42.909 42.059 0.020 0.000 1.217 105 L HN 0.811 nan 8.230 nan 0.000 0.420 106 L N 6.368 127.607 121.223 0.027 0.000 2.276 106 L HA 0.423 4.763 4.340 0.000 0.000 0.286 106 L C -0.280 176.569 176.870 -0.035 0.000 1.061 106 L CA -0.290 54.569 54.840 0.032 0.000 0.807 106 L CB 0.969 43.092 42.059 0.105 0.000 1.177 106 L HN 0.525 nan 8.230 nan 0.000 0.429 107 I N 4.729 125.261 120.570 -0.064 0.000 2.328 107 I HA 0.309 4.479 4.170 0.000 0.000 0.287 107 I C -0.364 175.639 176.117 -0.190 0.000 1.012 107 I CA -0.406 60.865 61.300 -0.048 0.000 1.195 107 I CB 1.681 39.755 38.000 0.125 0.000 1.350 107 I HN 0.250 nan 8.210 nan 0.000 0.464 108 V N 6.952 126.723 119.914 -0.239 0.000 2.495 108 V HA 0.302 4.423 4.120 0.000 0.000 0.298 108 V C 0.326 176.312 176.094 -0.180 0.000 1.031 108 V CA -1.033 61.056 62.300 -0.351 0.000 0.871 108 V CB 2.080 33.633 31.823 -0.450 0.000 0.988 108 V HN 0.631 nan 8.190 nan 0.000 0.432 109 K N 2.617 122.962 120.400 -0.092 0.000 2.326 109 K HA 0.152 4.472 4.320 0.000 0.000 0.275 109 K C 0.303 176.848 176.600 -0.091 0.000 1.018 109 K CA -0.414 55.874 56.287 0.001 0.000 0.962 109 K CB 0.345 32.996 32.500 0.252 0.000 0.953 109 K HN 0.519 nan 8.250 nan 0.000 0.475 110 N N 3.177 121.672 118.700 -0.341 0.000 2.454 110 N HA -0.012 4.728 4.740 0.000 0.000 0.285 110 N C -1.701 173.323 175.510 -0.809 0.000 1.233 110 N CA 0.552 53.327 53.050 -0.459 0.000 1.036 110 N CB -0.436 37.821 38.487 -0.383 0.000 1.423 110 N HN 0.346 nan 8.380 nan 0.000 0.495 111 Y N -0.203 120.073 120.300 -0.039 0.000 2.441 111 Y HA 0.152 4.702 4.550 0.000 0.000 0.334 111 Y C 1.614 177.487 175.900 -0.046 0.000 1.061 111 Y CA -0.949 57.130 58.100 -0.034 0.000 1.032 111 Y CB 1.316 39.767 38.460 -0.014 0.000 1.266 111 Y HN 0.117 nan 8.280 nan 0.000 0.441 112 T N 1.363 115.957 114.554 0.067 0.000 2.592 112 T HA -0.284 4.066 4.350 0.000 0.000 0.267 112 T C 2.110 176.842 174.700 0.053 0.000 1.060 112 T CA 2.366 64.476 62.100 0.016 0.000 1.167 112 T CB -0.581 68.288 68.868 0.002 0.000 0.863 112 T HN 1.060 nan 8.240 nan 0.000 0.431 113 G N 1.696 110.538 108.800 0.071 0.000 2.513 113 G HA2 -0.302 3.658 3.960 0.000 0.000 0.219 113 G HA3 -0.302 3.658 3.960 0.000 0.000 0.219 113 G C 1.326 176.310 174.900 0.140 0.000 1.160 113 G CA 1.397 46.544 45.100 0.078 0.000 0.767 113 G HN 0.430 nan 8.290 nan 0.000 0.571 114 D N 0.201 120.713 120.400 0.187 0.000 2.123 114 D HA -0.012 4.628 4.640 0.000 0.000 0.200 114 D C 2.750 179.204 176.300 0.256 0.000 0.976 114 D CA 0.513 54.690 54.000 0.295 0.000 0.831 114 D CB -0.244 40.658 40.800 0.171 0.000 0.974 114 D HN 0.278 nan 8.370 nan 0.000 0.469 115 R N 0.229 120.793 120.500 0.106 0.000 2.073 115 R HA -0.021 4.319 4.340 0.000 0.000 0.234 115 R C 2.518 178.871 176.300 0.089 0.000 1.134 115 R CA 0.746 56.880 56.100 0.055 0.000 0.952 115 R CB -0.346 29.942 30.300 -0.020 0.000 0.850 115 R HN 0.215 nan 8.270 nan 0.000 0.433 116 L N 0.487 121.756 121.223 0.077 0.000 2.072 116 L HA -0.135 4.205 4.340 0.000 0.000 0.205 116 L C 1.791 178.707 176.870 0.077 0.000 1.079 116 L CA 1.037 55.912 54.840 0.059 0.000 0.752 116 L CB -0.432 41.649 42.059 0.036 0.000 0.906 116 L HN 0.186 nan 8.230 nan 0.000 0.436 117 N N -0.210 118.557 118.700 0.112 0.000 2.207 117 N HA -0.088 4.652 4.740 0.000 0.000 0.182 117 N C 1.678 177.208 175.510 0.035 0.000 1.020 117 N CA 1.153 54.236 53.050 0.055 0.000 0.858 117 N CB -0.244 38.256 38.487 0.022 0.000 0.991 117 N HN 0.111 nan 8.380 nan 0.000 0.427 118 F N 0.710 120.661 119.950 0.001 0.000 2.259 118 F HA 0.094 4.621 4.527 -0.000 0.000 0.298 118 F C 2.381 178.175 175.800 -0.009 0.000 1.088 118 F CA 0.919 58.916 58.000 -0.006 0.000 1.358 118 F CB -0.780 38.219 39.000 -0.002 0.000 1.040 118 F HN 0.061 nan 8.300 nan 0.000 0.505 119 G N 0.046 108.953 108.800 0.179 0.000 2.433 119 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 119 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 119 G C 1.635 176.566 174.900 0.053 0.000 1.186 119 G CA 0.827 45.983 45.100 0.094 0.000 0.779 119 G HN 0.285 nan 8.290 nan 0.000 0.543 120 L N 1.582 122.826 121.223 0.035 0.000 2.127 120 L HA 0.122 4.462 4.340 0.000 0.000 0.211 120 L C 2.973 179.843 176.870 0.000 0.000 1.089 120 L CA 1.923 56.771 54.840 0.013 0.000 0.757 120 L CB -0.813 41.248 42.059 0.003 0.000 0.899 120 L HN 0.258 nan 8.230 nan 0.000 0.434 121 A N -0.449 122.363 122.820 -0.014 0.000 1.877 121 A HA -0.090 4.230 4.320 0.000 0.000 0.216 121 A C 2.484 180.056 177.584 -0.019 0.000 1.186 121 A CA 1.835 53.845 52.037 -0.046 0.000 0.620 121 A CB -1.187 17.747 19.000 -0.111 0.000 0.822 121 A HN 0.550 nan 8.150 nan 0.000 0.443 122 A N -0.397 122.433 122.820 0.016 0.000 1.908 122 A HA -0.176 4.144 4.320 0.000 0.000 0.218 122 A C 1.938 179.540 177.584 0.030 0.000 1.181 122 A CA 1.812 53.866 52.037 0.028 0.000 0.627 122 A CB -0.447 18.584 19.000 0.052 0.000 0.818 122 A HN 0.480 nan 8.150 nan 0.000 0.445 123 E N 0.255 120.472 120.200 0.027 0.000 2.077 123 E HA -0.160 4.190 4.350 0.000 0.000 0.193 123 E C 1.917 178.535 176.600 0.031 0.000 0.989 123 E CA 1.303 57.720 56.400 0.028 0.000 0.800 123 E CB -0.350 29.363 29.700 0.022 0.000 0.746 123 E HN 0.658 nan 8.360 nan 0.000 0.452 124 K N 0.417 120.830 120.400 0.021 0.000 2.211 124 K HA 0.002 4.322 4.320 0.000 0.000 0.203 124 K C 2.058 178.689 176.600 0.053 0.000 1.050 124 K CA 0.859 57.162 56.287 0.026 0.000 0.945 124 K CB 0.006 32.509 32.500 0.006 0.000 0.732 124 K HN 0.025 nan 8.250 nan 0.000 0.451 125 A N 1.504 124.351 122.820 0.045 0.000 1.897 125 A HA -0.110 4.210 4.320 0.000 0.000 0.215 125 A C 2.024 179.732 177.584 0.206 0.000 1.181 125 A CA 0.940 53.034 52.037 0.096 0.000 0.620 125 A CB -0.255 18.726 19.000 -0.030 0.000 0.821 125 A HN 0.164 nan 8.150 nan 0.000 0.443 126 R N -0.785 119.787 120.500 0.120 0.000 2.096 126 R HA -0.119 4.221 4.340 0.000 0.000 0.235 126 R C 2.439 178.788 176.300 0.082 0.000 1.127 126 R CA 1.533 57.694 56.100 0.102 0.000 0.968 126 R CB -0.287 30.051 30.300 0.064 0.000 0.861 126 R HN 0.579 nan 8.270 nan 0.000 0.440 127 R N 1.044 121.586 120.500 0.071 0.000 2.189 127 R HA -0.068 4.272 4.340 0.000 0.000 0.223 127 R C 1.320 177.651 176.300 0.052 0.000 1.092 127 R CA 1.026 57.156 56.100 0.049 0.000 0.989 127 R CB -0.011 30.313 30.300 0.040 0.000 0.876 127 R HN 0.210 nan 8.270 nan 0.000 0.457 128 L N -0.205 121.079 121.223 0.101 0.000 2.629 128 L HA 0.254 4.594 4.340 0.000 0.000 0.230 128 L C 1.090 177.927 176.870 -0.054 0.000 1.151 128 L CA 0.455 55.345 54.840 0.083 0.000 0.924 128 L CB 0.531 42.736 42.059 0.244 0.000 1.137 128 L HN 0.574 nan 8.230 nan 0.000 0.457 129 G N -1.280 107.506 108.800 -0.023 0.000 2.176 129 G HA2 -0.324 3.636 3.960 0.000 0.000 0.253 129 G HA3 -0.324 3.636 3.960 0.000 0.000 0.253 129 G C 0.093 174.924 174.900 -0.114 0.000 0.979 129 G CA -0.306 44.733 45.100 -0.102 0.000 0.641 129 G HN 0.279 nan 8.290 nan 0.000 0.530 130 Y N 1.199 121.501 120.300 0.003 0.000 2.336 130 Y HA 0.378 4.928 4.550 0.000 0.000 0.331 130 Y C 1.189 177.093 175.900 0.007 0.000 1.211 130 Y CA -0.152 57.951 58.100 0.005 0.000 1.346 130 Y CB 0.511 38.975 38.460 0.006 0.000 1.271 130 Y HN 0.117 nan 8.280 nan 0.000 0.538 131 N N 1.717 120.519 118.700 0.170 0.000 2.426 131 N HA 0.431 5.171 4.740 0.000 0.000 0.257 131 N C -1.550 174.019 175.510 0.098 0.000 1.002 131 N CA -0.331 52.779 53.050 0.100 0.000 0.942 131 N CB 1.178 39.704 38.487 0.065 0.000 1.112 131 N HN 0.200 nan 8.380 nan 0.000 0.499 132 V N 1.737 121.696 119.914 0.076 0.000 2.735 132 V HA 0.456 4.576 4.120 0.000 0.000 0.310 132 V C -0.390 175.729 176.094 0.042 0.000 1.061 132 V CA -0.789 61.546 62.300 0.057 0.000 0.913 132 V CB 2.333 34.188 31.823 0.053 0.000 1.005 132 V HN 0.542 nan 8.190 nan 0.000 0.428 133 E N 2.921 123.142 120.200 0.035 0.000 2.340 133 E HA 0.600 4.950 4.350 0.000 0.000 0.273 133 E C -1.190 175.423 176.600 0.023 0.000 0.891 133 E CA -0.650 55.765 56.400 0.025 0.000 0.757 133 E CB 2.878 32.589 29.700 0.018 0.000 1.231 133 E HN 0.736 nan 8.360 nan 0.000 0.439 134 M N 2.974 122.583 119.600 0.015 0.000 2.326 134 M HA 0.410 4.890 4.480 0.000 0.000 0.306 134 M C -1.776 174.515 176.300 -0.015 0.000 1.054 134 M CA -1.073 54.229 55.300 0.004 0.000 0.922 134 M CB 1.404 34.013 32.600 0.014 0.000 1.632 134 M HN 0.361 nan 8.290 nan 0.000 0.436 135 L N 6.728 127.933 121.223 -0.031 0.000 2.316 135 L HA 0.572 4.912 4.340 0.000 0.000 0.280 135 L C -1.612 175.218 176.870 -0.066 0.000 1.006 135 L CA -0.268 54.549 54.840 -0.039 0.000 0.836 135 L CB 1.115 43.158 42.059 -0.028 0.000 1.221 135 L HN 0.669 nan 8.230 nan 0.000 0.418 136 I N 5.972 126.500 120.570 -0.070 0.000 2.396 136 I HA 0.262 4.432 4.170 0.000 0.000 0.289 136 I C -0.093 175.964 176.117 -0.099 0.000 1.056 136 I CA -0.013 61.230 61.300 -0.094 0.000 1.365 136 I CB 1.241 39.190 38.000 -0.085 0.000 1.407 136 I HN 0.250 nan 8.210 nan 0.000 0.509 137 V N 5.689 125.532 119.914 -0.117 0.000 2.383 137 V HA 0.668 4.788 4.120 0.000 0.000 0.275 137 V C 0.745 176.747 176.094 -0.153 0.000 1.036 137 V CA -0.464 61.760 62.300 -0.128 0.000 0.889 137 V CB 1.150 32.898 31.823 -0.124 0.000 0.985 137 V HN 0.918 nan 8.190 nan 0.000 0.459 138 G N 3.079 111.788 108.800 -0.152 0.000 4.138 138 G HA2 0.310 4.270 3.960 0.000 0.000 0.335 138 G HA3 0.310 4.270 3.960 0.000 0.000 0.335 138 G C 0.313 175.122 174.900 -0.153 0.000 1.517 138 G CA -0.228 44.778 45.100 -0.157 0.000 0.960 138 G HN 0.767 nan 8.290 nan 0.000 0.493 139 D N 0.303 120.610 120.400 -0.157 0.000 2.348 139 D HA -0.053 4.587 4.640 0.000 0.000 0.211 139 D C 0.164 176.406 176.300 -0.097 0.000 0.998 139 D CA -0.271 53.627 54.000 -0.170 0.000 0.873 139 D CB 0.355 41.050 40.800 -0.175 0.000 0.925 139 D HN 0.286 nan 8.370 nan 0.000 0.524 140 D N 1.198 121.555 120.400 -0.071 0.000 2.458 140 D HA -0.027 4.613 4.640 0.000 0.000 0.243 140 D C 1.335 177.632 176.300 -0.004 0.000 1.146 140 D CA -0.146 53.836 54.000 -0.031 0.000 0.877 140 D CB 0.594 41.374 40.800 -0.033 0.000 1.176 140 D HN 0.327 nan 8.370 nan 0.000 0.461 141 I N 0.577 121.164 120.570 0.028 0.000 4.025 141 I HA 0.114 4.284 4.170 0.000 0.000 0.336 141 I C 1.270 177.398 176.117 0.020 0.000 1.390 141 I CA -0.236 61.092 61.300 0.047 0.000 1.099 141 I CB 0.086 38.147 38.000 0.100 0.000 1.049 141 I HN 0.248 nan 8.210 nan 0.000 0.394 142 S N 2.059 117.762 115.700 0.005 0.000 2.419 142 S HA 0.033 4.503 4.470 0.000 0.000 0.233 142 S C 1.040 175.636 174.600 -0.007 0.000 1.016 142 S CA 0.596 58.793 58.200 -0.005 0.000 0.974 142 S CB -0.564 62.629 63.200 -0.012 0.000 0.786 142 S HN 0.567 nan 8.310 nan 0.000 0.492 143 L N 1.806 123.025 121.223 -0.006 0.000 2.506 143 L HA 0.405 4.745 4.340 0.000 0.000 0.247 143 L C -2.112 174.750 176.870 -0.013 0.000 1.141 143 L CA -1.904 52.931 54.840 -0.009 0.000 0.973 143 L CB 1.432 43.487 42.059 -0.007 0.000 1.319 143 L HN 0.015 nan 8.230 nan 0.000 0.455 144 P HA -0.178 nan 4.420 nan 0.000 0.216 144 P C 0.659 177.945 177.300 -0.024 0.000 1.150 144 P CA 1.242 64.334 63.100 -0.014 0.000 0.843 144 P CB 0.236 31.928 31.700 -0.012 0.000 0.787 145 D N -1.788 118.598 120.400 -0.024 0.000 2.363 145 D HA -0.031 4.609 4.640 0.000 0.000 0.226 145 D C 0.515 176.790 176.300 -0.041 0.000 1.020 145 D CA 0.537 54.519 54.000 -0.030 0.000 0.892 145 D CB -0.720 40.065 40.800 -0.024 0.000 0.900 145 D HN 0.170 nan 8.370 nan 0.000 0.531 146 N N 1.366 120.040 118.700 -0.042 0.000 2.444 146 N HA -0.013 4.727 4.740 0.000 0.000 0.271 146 N C 0.881 176.326 175.510 -0.108 0.000 1.069 146 N CA -0.128 52.889 53.050 -0.054 0.000 0.965 146 N CB 1.418 39.888 38.487 -0.029 0.000 1.092 146 N HN -0.153 nan 8.380 nan 0.000 0.476 147 K N 2.164 122.451 120.400 -0.188 0.000 2.148 147 K HA -0.057 4.263 4.320 0.000 0.000 0.204 147 K C -0.272 176.015 176.600 -0.523 0.000 1.050 147 K CA 1.056 57.114 56.287 -0.381 0.000 0.942 147 K CB 0.093 32.273 32.500 -0.533 0.000 0.724 147 K HN 0.580 nan 8.250 nan 0.000 0.446 148 H N 1.065 120.105 119.070 -0.051 0.000 2.645 148 H HA 0.286 4.842 4.556 0.000 0.000 0.257 148 H C -2.567 172.697 175.328 -0.107 0.000 1.269 148 H CA -2.734 53.266 56.048 -0.079 0.000 1.409 148 H CB 0.956 30.670 29.762 -0.081 0.000 1.434 148 H HN 0.086 nan 8.280 nan 0.000 0.505 149 P HA -0.001 nan 4.420 nan 0.000 0.262 149 P C 0.414 177.631 177.300 -0.139 0.000 1.182 149 P CA 0.154 63.214 63.100 -0.067 0.000 0.761 149 P CB 0.809 32.468 31.700 -0.069 0.000 0.795 150 R N 1.793 122.202 120.500 -0.152 0.000 2.694 150 R HA 0.412 4.752 4.340 0.000 0.000 0.268 150 R C 0.969 177.113 176.300 -0.260 0.000 1.061 150 R CA 0.035 55.953 56.100 -0.304 0.000 1.133 150 R CB 0.255 30.511 30.300 -0.075 0.000 1.020 150 R HN 0.536 nan 8.270 nan 0.000 0.475 151 G N 2.776 111.344 108.800 -0.387 0.000 2.319 151 G HA2 0.487 4.447 3.960 0.000 0.000 0.308 151 G HA3 0.487 4.447 3.960 0.000 0.000 0.308 151 G C 0.097 175.010 174.900 0.022 0.000 1.117 151 G CA -0.565 44.444 45.100 -0.152 0.000 0.903 151 G HN 0.622 nan 8.290 nan 0.000 0.436 152 I N -0.064 120.485 120.570 -0.034 0.000 4.162 152 I HA 0.703 4.873 4.170 0.000 0.000 0.236 152 I C 1.804 177.872 176.117 -0.081 0.000 1.052 152 I CA -0.569 60.699 61.300 -0.053 0.000 1.457 152 I CB 0.607 38.577 38.000 -0.050 0.000 1.329 152 I HN 0.438 nan 8.210 nan 0.000 0.422 153 A N 1.021 123.796 122.820 -0.077 0.000 1.929 153 A HA -0.201 4.119 4.320 0.000 0.000 0.221 153 A C 2.119 179.649 177.584 -0.089 0.000 1.211 153 A CA 3.025 55.019 52.037 -0.071 0.000 0.657 153 A CB -2.008 16.973 19.000 -0.032 0.000 0.827 153 A HN 1.061 nan 8.150 nan 0.000 0.462 154 G N -1.550 107.202 108.800 -0.080 0.000 2.485 154 G HA2 -0.209 3.751 3.960 0.000 0.000 0.221 154 G HA3 -0.209 3.751 3.960 0.000 0.000 0.221 154 G C 1.466 176.283 174.900 -0.139 0.000 1.115 154 G CA 1.709 46.753 45.100 -0.093 0.000 0.751 154 G HN 0.476 nan 8.290 nan 0.000 0.567 155 T N 1.692 116.148 114.554 -0.163 0.000 2.685 155 T HA -0.271 4.079 4.350 0.000 0.000 0.268 155 T C 2.371 176.824 174.700 -0.412 0.000 1.034 155 T CA 1.628 63.583 62.100 -0.241 0.000 1.149 155 T CB -0.318 68.442 68.868 -0.179 0.000 0.860 155 T HN 0.656 nan 8.240 nan 0.000 0.449 156 I N -0.519 119.827 120.570 -0.372 0.000 2.493 156 I HA -0.021 4.149 4.170 0.000 0.000 0.254 156 I C 2.038 178.054 176.117 -0.168 0.000 1.160 156 I CA 1.368 62.422 61.300 -0.410 0.000 1.445 156 I CB -0.689 36.995 38.000 -0.527 0.000 1.086 156 I HN 0.147 nan 8.210 nan 0.000 0.433 157 L N 0.459 121.628 121.223 -0.089 0.000 2.201 157 L HA -0.090 4.250 4.340 0.000 0.000 0.212 157 L C 2.616 179.454 176.870 -0.053 0.000 1.105 157 L CA 0.593 55.432 54.840 -0.002 0.000 0.775 157 L CB -0.482 41.582 42.059 0.009 0.000 0.913 157 L HN 0.204 nan 8.230 nan 0.000 0.440 158 V N -1.072 118.784 119.914 -0.096 0.000 2.453 158 V HA -0.240 3.880 4.120 0.000 0.000 0.247 158 V C 2.472 178.595 176.094 0.048 0.000 1.048 158 V CA 1.380 63.651 62.300 -0.049 0.000 1.049 158 V CB -0.695 31.080 31.823 -0.080 0.000 0.672 158 V HN 0.410 nan 8.190 nan 0.000 0.457 159 H N 0.367 119.405 119.070 -0.053 0.000 2.352 159 H HA -0.149 4.407 4.556 0.000 0.000 0.299 159 H C 2.237 177.502 175.328 -0.105 0.000 1.097 159 H CA 1.834 57.852 56.048 -0.051 0.000 1.311 159 H CB -0.284 29.462 29.762 -0.026 0.000 1.377 159 H HN 0.267 nan 8.280 nan 0.000 0.504 160 K N 0.675 121.034 120.400 -0.068 0.000 2.044 160 K HA -0.088 4.232 4.320 0.000 0.000 0.210 160 K C 2.169 178.685 176.600 -0.141 0.000 1.049 160 K CA 0.943 57.061 56.287 -0.280 0.000 0.927 160 K CB -0.494 31.706 32.500 -0.501 0.000 0.713 160 K HN 0.155 nan 8.250 nan 0.000 0.443 161 I N 0.323 120.865 120.570 -0.046 0.000 2.202 161 I HA -0.193 3.977 4.170 0.000 0.000 0.242 161 I C 2.190 178.424 176.117 0.195 0.000 1.091 161 I CA 1.427 62.762 61.300 0.058 0.000 1.368 161 I CB -1.129 36.928 38.000 0.095 0.000 1.058 161 I HN 0.239 nan 8.210 nan 0.000 0.410 162 A N 0.936 123.843 122.820 0.146 0.000 1.908 162 A HA -0.158 4.162 4.320 0.000 0.000 0.218 162 A C 2.461 180.122 177.584 0.128 0.000 1.181 162 A CA 2.003 54.135 52.037 0.158 0.000 0.627 162 A CB -1.373 17.686 19.000 0.099 0.000 0.818 162 A HN 0.444 nan 8.150 nan 0.000 0.445 163 G N -1.779 107.049 108.800 0.046 0.000 2.418 163 G HA2 -0.283 3.677 3.960 0.000 0.000 0.217 163 G HA3 -0.283 3.677 3.960 0.000 0.000 0.217 163 G C 1.512 176.390 174.900 -0.036 0.000 1.158 163 G CA 1.283 46.373 45.100 -0.016 0.000 0.771 163 G HN 0.597 nan 8.290 nan 0.000 0.545 164 Y N 0.923 121.112 120.300 -0.184 0.000 2.053 164 Y HA -0.200 4.350 4.550 0.000 0.000 0.277 164 Y C 2.456 178.166 175.900 -0.317 0.000 1.159 164 Y CA 2.068 59.974 58.100 -0.324 0.000 1.125 164 Y CB -0.471 37.674 38.460 -0.526 0.000 0.969 164 Y HN 0.174 nan 8.280 nan 0.000 0.492 165 F N -0.120 119.828 119.950 -0.004 0.000 2.146 165 F HA -0.121 4.406 4.527 0.000 0.000 0.298 165 F C 2.626 178.443 175.800 0.028 0.000 1.096 165 F CA 1.250 59.180 58.000 -0.117 0.000 1.275 165 F CB -1.272 37.603 39.000 -0.208 0.000 1.008 165 F HN 0.166 nan 8.300 nan 0.000 0.480 166 A N -0.125 122.794 122.820 0.166 0.000 1.908 166 A HA -0.178 4.142 4.320 0.000 0.000 0.218 166 A C 2.215 179.822 177.584 0.039 0.000 1.181 166 A CA 1.689 53.789 52.037 0.105 0.000 0.627 166 A CB -0.596 18.438 19.000 0.058 0.000 0.818 166 A HN 0.280 nan 8.150 nan 0.000 0.445 167 E N -0.089 120.087 120.200 -0.041 0.000 2.153 167 E HA -0.123 4.227 4.350 0.000 0.000 0.194 167 E C 1.470 178.018 176.600 -0.085 0.000 0.988 167 E CA 0.742 57.090 56.400 -0.087 0.000 0.811 167 E CB -0.199 29.410 29.700 -0.151 0.000 0.746 167 E HN 0.581 nan 8.360 nan 0.000 0.466 168 R N -0.107 120.347 120.500 -0.076 0.000 2.547 168 R HA 0.117 4.457 4.340 0.000 0.000 0.258 168 R C 1.021 177.319 176.300 -0.003 0.000 1.115 168 R CA 0.440 56.513 56.100 -0.045 0.000 1.152 168 R CB -0.061 30.209 30.300 -0.051 0.000 1.221 168 R HN 0.161 nan 8.270 nan 0.000 0.539 169 G N 0.402 109.211 108.800 0.016 0.000 2.186 169 G HA2 -0.351 3.609 3.960 0.000 0.000 0.266 169 G HA3 -0.351 3.609 3.960 0.000 0.000 0.266 169 G C -0.019 174.884 174.900 0.005 0.000 0.982 169 G CA 0.280 45.371 45.100 -0.015 0.000 0.670 169 G HN 0.355 nan 8.290 nan 0.000 0.533 170 Y N 1.179 121.503 120.300 0.041 0.000 2.511 170 Y HA 0.306 4.856 4.550 0.000 0.000 0.347 170 Y C 1.310 177.231 175.900 0.035 0.000 1.257 170 Y CA 0.135 58.273 58.100 0.064 0.000 1.469 170 Y CB 0.344 38.893 38.460 0.148 0.000 1.353 170 Y HN 0.521 nan 8.280 nan 0.000 0.617 171 N N 0.577 119.383 118.700 0.176 0.000 2.467 171 N HA 0.079 4.819 4.740 0.000 0.000 0.262 171 N C 0.651 176.208 175.510 0.080 0.000 1.234 171 N CA -0.551 52.555 53.050 0.093 0.000 0.952 171 N CB 0.477 38.996 38.487 0.054 0.000 1.158 171 N HN 0.615 nan 8.380 nan 0.000 0.463 172 L N 0.931 122.186 121.223 0.053 0.000 2.010 172 L HA -0.245 4.095 4.340 0.000 0.000 0.219 172 L C 2.187 179.068 176.870 0.018 0.000 1.077 172 L CA 2.523 57.386 54.840 0.039 0.000 0.773 172 L CB -1.488 40.591 42.059 0.034 0.000 0.892 172 L HN 0.823 nan 8.230 nan 0.000 0.436 173 A N -2.032 120.795 122.820 0.012 0.000 1.917 173 A HA -0.259 4.061 4.320 0.000 0.000 0.219 173 A C 2.262 179.823 177.584 -0.038 0.000 1.182 173 A CA 2.577 54.609 52.037 -0.009 0.000 0.633 173 A CB -1.244 17.753 19.000 -0.005 0.000 0.819 173 A HN 0.584 nan 8.150 nan 0.000 0.448 174 T N -0.565 113.969 114.554 -0.033 0.000 2.812 174 T HA -0.064 4.286 4.350 0.000 0.000 0.264 174 T C 1.902 176.475 174.700 -0.211 0.000 1.042 174 T CA 1.336 63.364 62.100 -0.119 0.000 1.140 174 T CB -0.407 68.446 68.868 -0.025 0.000 0.870 174 T HN 0.177 nan 8.240 nan 0.000 0.445 175 V N 1.957 121.823 119.914 -0.080 0.000 2.255 175 V HA -0.158 3.962 4.120 0.000 0.000 0.247 175 V C 2.434 178.490 176.094 -0.063 0.000 1.051 175 V CA 1.628 63.902 62.300 -0.042 0.000 1.018 175 V CB -0.845 31.006 31.823 0.046 0.000 0.641 175 V HN 0.335 nan 8.190 nan 0.000 0.445 176 L N 0.340 121.539 121.223 -0.041 0.000 2.012 176 L HA -0.199 4.141 4.340 0.000 0.000 0.210 176 L C 2.575 179.412 176.870 -0.055 0.000 1.073 176 L CA 2.241 57.062 54.840 -0.032 0.000 0.748 176 L CB -0.841 41.206 42.059 -0.020 0.000 0.891 176 L HN 0.209 nan 8.230 nan 0.000 0.431 177 R N -0.624 119.821 120.500 -0.092 0.000 2.097 177 R HA -0.195 4.145 4.340 0.000 0.000 0.236 177 R C 2.171 178.404 176.300 -0.111 0.000 1.135 177 R CA 1.989 58.024 56.100 -0.107 0.000 0.934 177 R CB -0.293 29.914 30.300 -0.155 0.000 0.846 177 R HN 0.473 nan 8.270 nan 0.000 0.431 178 E N 0.093 120.156 120.200 -0.228 0.000 2.077 178 E HA -0.157 4.193 4.350 0.000 0.000 0.193 178 E C 1.898 178.505 176.600 0.010 0.000 0.989 178 E CA 1.233 57.512 56.400 -0.201 0.000 0.800 178 E CB -0.315 28.993 29.700 -0.654 0.000 0.746 178 E HN 0.461 nan 8.360 nan 0.000 0.452 179 A N 1.329 124.146 122.820 -0.005 0.000 1.908 179 A HA -0.265 4.055 4.320 0.000 0.000 0.218 179 A C 2.219 179.811 177.584 0.012 0.000 1.181 179 A CA 2.059 54.113 52.037 0.029 0.000 0.627 179 A CB -0.526 18.488 19.000 0.024 0.000 0.818 179 A HN 0.192 nan 8.150 nan 0.000 0.445 180 Q N -1.592 118.213 119.800 0.009 0.000 2.119 180 Q HA -0.192 4.148 4.340 0.000 0.000 0.201 180 Q C 1.821 177.840 176.000 0.031 0.000 0.972 180 Q CA 2.111 57.916 55.803 0.004 0.000 0.847 180 Q CB -0.651 28.090 28.738 0.005 0.000 0.903 180 Q HN 0.680 nan 8.270 nan 0.000 0.433 181 Y N 0.141 120.400 120.300 -0.068 0.000 2.181 181 Y HA -0.143 4.407 4.550 0.000 0.000 0.288 181 Y C 2.030 177.900 175.900 -0.049 0.000 1.146 181 Y CA 1.672 59.738 58.100 -0.057 0.000 1.164 181 Y CB -0.759 37.663 38.460 -0.063 0.000 0.982 181 Y HN 0.208 nan 8.280 nan 0.000 0.515 182 A N 0.342 123.132 122.820 -0.049 0.000 1.877 182 A HA -0.094 4.226 4.320 0.000 0.000 0.216 182 A C 2.495 179.969 177.584 -0.184 0.000 1.186 182 A CA 2.029 53.989 52.037 -0.128 0.000 0.620 182 A CB -1.583 17.399 19.000 -0.029 0.000 0.822 182 A HN 0.574 nan 8.150 nan 0.000 0.443 183 A N -0.268 122.465 122.820 -0.144 0.000 1.869 183 A HA -0.185 4.135 4.320 0.000 0.000 0.218 183 A C 2.389 179.806 177.584 -0.277 0.000 1.203 183 A CA 2.391 54.317 52.037 -0.185 0.000 0.638 183 A CB -1.230 17.690 19.000 -0.133 0.000 0.831 183 A HN 0.499 nan 8.150 nan 0.000 0.450 184 S N 0.107 115.667 115.700 -0.234 0.000 2.462 184 S HA -0.104 4.367 4.470 0.000 0.000 0.243 184 S C 1.219 175.618 174.600 -0.334 0.000 1.003 184 S CA 1.123 59.175 58.200 -0.248 0.000 0.970 184 S CB -0.371 62.749 63.200 -0.134 0.000 0.762 184 S HN 0.635 nan 8.310 nan 0.000 0.510 185 N N 0.956 119.439 118.700 -0.362 0.000 2.238 185 N HA 0.106 4.846 4.740 0.000 0.000 0.222 185 N C -0.803 174.544 175.510 -0.272 0.000 1.133 185 N CA 0.196 53.112 53.050 -0.223 0.000 0.854 185 N CB 0.983 39.321 38.487 -0.249 0.000 1.041 185 N HN 0.179 nan 8.380 nan 0.000 0.510 186 T N 0.927 115.101 114.554 -0.634 0.000 2.792 186 T HA 0.517 4.867 4.350 0.000 0.000 0.280 186 T C -0.764 173.434 174.700 -0.838 0.000 0.990 186 T CA -0.251 61.566 62.100 -0.472 0.000 0.960 186 T CB 0.722 69.424 68.868 -0.276 0.000 0.939 186 T HN -0.086 nan 8.240 nan 0.000 0.439 187 F N 1.271 121.196 119.950 -0.040 0.000 2.539 187 F HA 0.623 5.150 4.527 -0.000 0.000 0.318 187 F C 0.419 176.205 175.800 -0.024 0.000 1.135 187 F CA -0.852 57.127 58.000 -0.034 0.000 0.915 187 F CB 2.006 40.989 39.000 -0.029 0.000 1.176 187 F HN 0.385 nan 8.300 nan 0.000 0.440 188 S N 3.292 119.047 115.700 0.093 0.000 2.542 188 S HA 0.835 5.305 4.470 0.000 0.000 0.293 188 S C -1.758 172.866 174.600 0.041 0.000 1.089 188 S CA -0.653 57.579 58.200 0.054 0.000 0.961 188 S CB 2.347 65.548 63.200 0.002 0.000 1.062 188 S HN 0.518 nan 8.310 nan 0.000 0.483 189 L N 1.851 123.090 121.223 0.027 0.000 2.470 189 L HA 0.816 5.156 4.340 0.000 0.000 0.268 189 L C -0.216 176.622 176.870 -0.054 0.000 0.964 189 L CA 0.117 54.954 54.840 -0.005 0.000 0.839 189 L CB 1.356 43.419 42.059 0.007 0.000 1.276 189 L HN 0.806 nan 8.230 nan 0.000 0.403 190 G N 2.612 111.357 108.800 -0.092 0.000 2.511 190 G HA2 0.726 4.686 3.960 0.000 0.000 0.318 190 G HA3 0.726 4.686 3.960 0.000 0.000 0.318 190 G C -1.838 172.919 174.900 -0.238 0.000 1.210 190 G CA -0.633 44.361 45.100 -0.177 0.000 0.969 190 G HN 0.771 nan 8.290 nan 0.000 0.484 191 V N -0.624 119.059 119.914 -0.386 0.000 3.012 191 V HA 0.867 4.987 4.120 0.000 0.000 0.307 191 V C -0.933 175.002 176.094 -0.265 0.000 1.166 191 V CA -0.076 62.030 62.300 -0.325 0.000 0.974 191 V CB 1.855 33.426 31.823 -0.419 0.000 1.040 191 V HN 1.692 nan 8.190 nan 0.000 0.428 192 A N 4.928 127.683 122.820 -0.108 0.000 2.515 192 A HA 0.750 5.070 4.320 0.000 0.000 0.298 192 A C -0.223 177.378 177.584 0.027 0.000 1.059 192 A CA -0.514 51.503 52.037 -0.033 0.000 0.698 192 A CB 1.899 20.888 19.000 -0.017 0.000 1.289 192 A HN 0.911 nan 8.150 nan 0.000 0.404 193 L N 0.734 121.997 121.223 0.065 0.000 2.416 193 L HA 0.194 4.534 4.340 0.000 0.000 0.216 193 L C 0.748 177.710 176.870 0.153 0.000 1.098 193 L CA 1.143 56.053 54.840 0.116 0.000 0.840 193 L CB 0.044 42.190 42.059 0.146 0.000 0.981 193 L HN 0.854 nan 8.230 nan 0.000 0.462 194 S N -2.721 113.030 115.700 0.084 0.000 2.552 194 S HA 0.347 4.817 4.470 0.000 0.000 0.272 194 S C -0.564 174.030 174.600 -0.010 0.000 1.150 194 S CA -0.746 57.483 58.200 0.048 0.000 0.849 194 S CB 1.991 65.216 63.200 0.041 0.000 1.113 194 S HN -0.051 nan 8.310 nan 0.000 0.458 195 S N -0.228 115.450 115.700 -0.036 0.000 2.625 195 S HA 0.567 5.037 4.470 0.000 0.000 0.258 195 S C 0.725 175.286 174.600 -0.064 0.000 1.256 195 S CA -0.003 58.184 58.200 -0.022 0.000 0.983 195 S CB -0.370 62.827 63.200 -0.005 0.000 1.032 195 S HN 1.410 nan 8.310 nan 0.000 0.572 196 C N 0.087 119.385 119.300 -0.004 0.000 2.335 196 C HA 0.697 5.157 4.460 0.000 0.000 0.363 196 C C -0.137 174.813 174.990 -0.067 0.000 1.198 196 C CA -1.018 57.989 59.018 -0.019 0.000 2.279 196 C CB -0.800 27.032 27.740 0.152 0.000 2.334 196 C HN 0.883 nan 8.230 nan 0.000 0.559 197 H N 0.491 119.636 119.070 0.124 0.000 2.620 197 H HA 0.535 5.091 4.556 0.000 0.000 0.313 197 H C -0.103 175.340 175.328 0.191 0.000 1.075 197 H CA 0.031 56.161 56.048 0.138 0.000 1.397 197 H CB 0.556 30.399 29.762 0.135 0.000 1.446 197 H HN 0.513 nan 8.280 nan 0.000 0.493 198 L N 5.635 126.969 121.223 0.185 0.000 2.379 198 L HA 0.274 4.614 4.340 0.000 0.000 0.269 198 L C -1.588 175.153 176.870 -0.215 0.000 1.084 198 L CA -2.097 52.716 54.840 -0.045 0.000 0.802 198 L CB 1.224 43.236 42.059 -0.078 0.000 1.175 198 L HN 0.575 nan 8.230 nan 0.000 0.448 199 P HA 0.009 nan 4.420 nan 0.000 0.228 199 P C -1.128 175.821 177.300 -0.585 0.000 1.748 199 P CA 0.156 62.567 63.100 -1.148 0.000 0.909 199 P CB -0.061 30.406 31.700 -2.055 0.000 1.882 200 Q N -1.432 118.243 119.800 -0.209 0.000 2.756 200 Q HA 0.302 4.642 4.340 0.000 0.000 0.295 200 Q C -1.437 174.561 176.000 -0.003 0.000 0.903 200 Q CA -0.976 54.776 55.803 -0.084 0.000 0.768 200 Q CB 0.841 29.498 28.738 -0.134 0.000 1.472 200 Q HN -0.038 nan 8.270 nan 0.000 0.416 201 E N 1.088 121.295 120.200 0.013 0.000 2.344 201 E HA 0.289 4.639 4.350 0.000 0.000 0.270 201 E C -0.719 175.889 176.600 0.013 0.000 1.021 201 E CA 0.399 56.811 56.400 0.020 0.000 0.887 201 E CB 0.858 30.569 29.700 0.018 0.000 0.997 201 E HN 0.613 nan 8.360 nan 0.000 0.429 202 T N 0.339 114.907 114.554 0.024 0.000 2.858 202 T HA 0.245 4.595 4.350 0.000 0.000 0.285 202 T C 0.521 175.236 174.700 0.025 0.000 1.052 202 T CA -0.829 61.286 62.100 0.024 0.000 1.009 202 T CB 1.305 70.194 68.868 0.035 0.000 1.241 202 T HN 0.330 nan 8.240 nan 0.000 0.542 203 D N 0.350 120.765 120.400 0.025 0.000 2.183 203 D HA 0.293 4.933 4.640 0.000 0.000 0.205 203 D C 0.656 176.972 176.300 0.027 0.000 0.962 203 D CA 0.872 54.886 54.000 0.023 0.000 0.849 203 D CB 0.399 41.212 40.800 0.022 0.000 0.978 203 D HN 0.806 nan 8.370 nan 0.000 0.488 204 A N -0.184 122.656 122.820 0.032 0.000 2.572 204 A HA 0.642 4.962 4.320 0.000 0.000 0.295 204 A C -0.551 177.058 177.584 0.042 0.000 1.072 204 A CA -0.248 51.810 52.037 0.035 0.000 0.691 204 A CB 1.378 20.398 19.000 0.033 0.000 1.291 204 A HN 0.078 nan 8.150 nan 0.000 0.404 205 A N 1.295 124.142 122.820 0.044 0.000 2.504 205 A HA 0.521 4.841 4.320 0.000 0.000 0.242 205 A C -2.135 175.465 177.584 0.026 0.000 1.100 205 A CA -0.350 51.718 52.037 0.052 0.000 0.786 205 A CB -1.109 17.919 19.000 0.047 0.000 1.050 205 A HN 0.605 nan 8.150 nan 0.000 0.512 206 P HA 0.097 nan 4.420 nan 0.000 0.264 206 P C 0.046 177.331 177.300 -0.024 0.000 1.183 206 P CA -0.055 63.016 63.100 -0.048 0.000 0.763 206 P CB 0.300 31.893 31.700 -0.177 0.000 0.807 207 R N 2.812 123.295 120.500 -0.028 0.000 2.566 207 R HA 0.011 4.351 4.340 0.000 0.000 0.273 207 R C -0.390 175.846 176.300 -0.106 0.000 0.981 207 R CA 0.621 56.679 56.100 -0.070 0.000 1.091 207 R CB -0.132 30.121 30.300 -0.077 0.000 0.924 207 R HN 0.686 nan 8.270 nan 0.000 0.411 208 H N 2.368 121.244 119.070 -0.322 0.000 3.085 208 H HA 0.301 4.857 4.556 0.000 0.000 0.356 208 H C -1.605 173.496 175.328 -0.378 0.000 1.178 208 H CA -0.781 55.072 56.048 -0.326 0.000 1.214 208 H CB 1.033 30.720 29.762 -0.126 0.000 1.881 208 H HN 0.635 nan 8.280 nan 0.000 0.538 209 H N 4.235 122.943 119.070 -0.603 0.000 2.511 209 H HA 0.279 4.835 4.556 0.000 0.000 0.328 209 H C -2.603 172.284 175.328 -0.734 0.000 1.044 209 H CA -2.355 53.449 56.048 -0.407 0.000 1.212 209 H CB 1.376 31.083 29.762 -0.092 0.000 1.428 209 H HN 0.485 nan 8.280 nan 0.000 0.483 210 P HA 0.036 nan 4.420 nan 0.000 0.267 210 P C 1.139 178.289 177.300 -0.250 0.000 1.205 210 P CA 0.758 63.778 63.100 -0.132 0.000 0.765 210 P CB 0.562 32.287 31.700 0.042 0.000 0.828 211 G N 1.368 110.067 108.800 -0.168 0.000 2.205 211 G HA2 -0.247 3.713 3.960 0.000 0.000 0.269 211 G HA3 -0.247 3.713 3.960 0.000 0.000 0.269 211 G C 0.399 175.097 174.900 -0.337 0.000 0.977 211 G CA 0.263 45.208 45.100 -0.260 0.000 0.652 211 G HN 0.655 nan 8.290 nan 0.000 0.539 212 H N -0.310 118.754 119.070 -0.010 0.000 2.713 212 H HA 0.817 5.373 4.556 0.000 0.000 0.340 212 H C 0.260 175.601 175.328 0.021 0.000 1.271 212 H CA -0.076 55.973 56.048 0.001 0.000 1.306 212 H CB 1.738 31.492 29.762 -0.013 0.000 1.839 212 H HN 0.713 nan 8.280 nan 0.000 0.627 213 A N 0.658 123.589 122.820 0.185 0.000 2.398 213 A HA 0.277 4.597 4.320 0.000 0.000 0.301 213 A C -0.505 177.141 177.584 0.104 0.000 1.041 213 A CA -0.673 51.437 52.037 0.121 0.000 0.711 213 A CB 1.306 20.353 19.000 0.079 0.000 1.240 213 A HN 0.728 nan 8.150 nan 0.000 0.420 214 E N 2.409 122.691 120.200 0.136 0.000 2.052 214 E HA 0.348 4.698 4.350 0.000 0.000 0.283 214 E C -0.848 175.761 176.600 0.015 0.000 1.071 214 E CA -0.516 55.949 56.400 0.107 0.000 0.851 214 E CB 0.446 30.264 29.700 0.196 0.000 1.066 214 E HN 0.601 nan 8.360 nan 0.000 0.396 215 L N 4.881 126.095 121.223 -0.015 0.000 2.367 215 L HA 0.350 4.690 4.340 0.000 0.000 0.275 215 L C 1.027 177.876 176.870 -0.035 0.000 1.129 215 L CA 1.472 56.285 54.840 -0.044 0.000 0.839 215 L CB 0.821 42.855 42.059 -0.041 0.000 1.133 215 L HN 0.784 nan 8.230 nan 0.000 0.453 216 G N 3.805 112.574 108.800 -0.051 0.000 2.143 216 G HA2 -0.326 3.634 3.960 0.000 0.000 0.249 216 G HA3 -0.326 3.634 3.960 0.000 0.000 0.249 216 G C 0.452 175.340 174.900 -0.019 0.000 0.981 216 G CA 0.300 45.380 45.100 -0.033 0.000 0.665 216 G HN 0.755 nan 8.290 nan 0.000 0.528 217 M N 1.567 121.156 119.600 -0.019 0.000 2.260 217 M HA 0.427 4.907 4.480 0.000 0.000 0.348 217 M C 1.204 177.492 176.300 -0.018 0.000 1.342 217 M CA 0.858 56.155 55.300 -0.004 0.000 1.040 217 M CB 0.185 32.784 32.600 -0.001 0.000 1.810 217 M HN 0.393 nan 8.290 nan 0.000 0.453 218 G N 4.226 113.022 108.800 -0.006 0.000 2.606 218 G HA2 0.304 4.264 3.960 0.000 0.000 0.252 218 G HA3 0.304 4.264 3.960 0.000 0.000 0.252 218 G C 0.719 175.552 174.900 -0.113 0.000 1.206 218 G CA -0.639 44.447 45.100 -0.022 0.000 0.861 218 G HN 1.029 nan 8.290 nan 0.000 0.561 219 I N -2.257 118.172 120.570 -0.233 0.000 3.334 219 I HA 0.105 4.275 4.170 0.000 0.000 0.282 219 I C 0.996 176.692 176.117 -0.703 0.000 1.313 219 I CA 0.710 61.774 61.300 -0.392 0.000 1.396 219 I CB -0.260 37.417 38.000 -0.540 0.000 1.054 219 I HN 0.462 nan 8.210 nan 0.000 0.495 220 H N 0.895 119.697 119.070 -0.447 0.000 2.784 220 H HA 0.422 4.978 4.556 0.000 0.000 0.273 220 H C 1.460 176.582 175.328 -0.343 0.000 1.112 220 H CA 0.379 55.904 56.048 -0.872 0.000 1.162 220 H CB 1.049 30.374 29.762 -0.728 0.000 1.586 220 H HN 0.446 nan 8.280 nan 0.000 0.548 221 G N 0.911 109.658 108.800 -0.090 0.000 2.157 221 G HA2 -0.307 3.653 3.960 0.000 0.000 0.248 221 G HA3 -0.307 3.653 3.960 0.000 0.000 0.248 221 G C -0.036 174.880 174.900 0.026 0.000 0.979 221 G CA -0.096 45.014 45.100 0.017 0.000 0.650 221 G HN 0.387 nan 8.290 nan 0.000 0.529 222 E N 1.258 121.470 120.200 0.021 0.000 2.436 222 E HA 0.384 4.734 4.350 0.000 0.000 0.262 222 E C -1.983 174.642 176.600 0.041 0.000 1.063 222 E CA -0.782 55.644 56.400 0.043 0.000 0.944 222 E CB 0.270 30.012 29.700 0.069 0.000 0.950 222 E HN 0.249 nan 8.360 nan 0.000 0.444 223 P HA 0.000 nan 4.420 nan 0.000 0.266 223 P C 0.000 177.322 177.300 0.037 0.000 1.195 223 P CA 0.385 63.513 63.100 0.046 0.000 0.768 223 P CB 0.701 32.425 31.700 0.041 0.000 0.838 224 G N 1.411 110.232 108.800 0.035 0.000 2.510 224 G HA2 0.392 4.352 3.960 0.000 0.000 0.280 224 G HA3 0.392 4.352 3.960 0.000 0.000 0.280 224 G C 0.798 175.700 174.900 0.004 0.000 1.386 224 G CA 0.043 45.153 45.100 0.017 0.000 1.047 224 G HN 0.447 nan 8.290 nan 0.000 0.527 225 A N -1.792 121.024 122.820 -0.008 0.000 2.095 225 A HA 0.548 4.868 4.320 0.000 0.000 0.212 225 A C 1.156 178.722 177.584 -0.029 0.000 1.162 225 A CA 1.525 53.552 52.037 -0.016 0.000 0.753 225 A CB -0.120 18.870 19.000 -0.017 0.000 0.840 225 A HN 1.290 nan 8.150 nan 0.000 0.468 226 S N -2.619 113.059 115.700 -0.038 0.000 2.656 226 S HA 0.479 4.949 4.470 0.000 0.000 0.265 226 S C -2.091 172.461 174.600 -0.081 0.000 1.132 226 S CA -0.177 57.985 58.200 -0.062 0.000 0.819 226 S CB 0.797 63.965 63.200 -0.055 0.000 1.119 226 S HN 0.412 nan 8.310 nan 0.000 0.476 227 V N 2.632 122.471 119.914 -0.126 0.000 2.531 227 V HA 0.568 4.688 4.120 0.000 0.000 0.301 227 V C -1.030 174.989 176.094 -0.124 0.000 1.034 227 V CA -0.664 61.540 62.300 -0.161 0.000 0.865 227 V CB 1.388 33.008 31.823 -0.339 0.000 0.995 227 V HN 0.714 nan 8.190 nan 0.000 0.424 228 I N 4.623 125.165 120.570 -0.047 0.000 2.365 228 I HA 0.260 4.430 4.170 0.000 0.000 0.291 228 I C 1.183 177.335 176.117 0.058 0.000 1.004 228 I CA -0.942 60.355 61.300 -0.005 0.000 1.311 228 I CB 1.164 39.183 38.000 0.031 0.000 1.401 228 I HN 0.769 nan 8.210 nan 0.000 0.491 229 D N 2.689 123.127 120.400 0.062 0.000 2.348 229 D HA -0.040 4.600 4.640 0.000 0.000 0.248 229 D C 0.406 176.903 176.300 0.329 0.000 1.142 229 D CA 0.252 54.414 54.000 0.271 0.000 0.904 229 D CB 0.065 40.925 40.800 0.099 0.000 0.901 229 D HN 0.470 nan 8.370 nan 0.000 0.523 230 T N -1.334 113.339 114.554 0.199 0.000 2.769 230 T HA 0.254 4.604 4.350 0.000 0.000 0.306 230 T C -0.731 174.019 174.700 0.085 0.000 1.400 230 T CA -0.542 61.618 62.100 0.100 0.000 1.007 230 T CB 1.652 70.561 68.868 0.069 0.000 1.392 230 T HN -0.079 nan 8.240 nan 0.000 0.500 231 Q N 0.759 120.595 119.800 0.060 0.000 2.189 231 Q HA 0.232 4.572 4.340 0.000 0.000 0.223 231 Q C 0.356 176.402 176.000 0.075 0.000 0.828 231 Q CA -0.390 55.458 55.803 0.074 0.000 0.967 231 Q CB 0.407 29.184 28.738 0.066 0.000 1.139 231 Q HN 0.544 nan 8.270 nan 0.000 0.497 232 N N 1.670 120.406 118.700 0.060 0.000 2.365 232 N HA -0.083 4.657 4.740 0.000 0.000 0.265 232 N C 0.982 176.532 175.510 0.066 0.000 1.288 232 N CA 0.552 53.633 53.050 0.051 0.000 0.869 232 N CB 1.017 39.528 38.487 0.040 0.000 1.071 232 N HN 0.200 nan 8.380 nan 0.000 0.480 233 S N 4.088 119.823 115.700 0.058 0.000 2.374 233 S HA -0.230 4.240 4.470 0.000 0.000 0.227 233 S C 1.941 176.575 174.600 0.056 0.000 1.037 233 S CA 1.221 59.458 58.200 0.061 0.000 1.024 233 S CB -0.475 62.734 63.200 0.015 0.000 0.861 233 S HN 0.671 nan 8.310 nan 0.000 0.456 234 A N 1.627 124.467 122.820 0.034 0.000 1.873 234 A HA -0.093 4.227 4.320 0.000 0.000 0.215 234 A C 2.386 179.995 177.584 0.042 0.000 1.186 234 A CA 1.497 53.552 52.037 0.029 0.000 0.616 234 A CB -0.836 18.173 19.000 0.014 0.000 0.823 234 A HN 0.654 nan 8.150 nan 0.000 0.442 235 Q N -0.475 119.351 119.800 0.044 0.000 2.050 235 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 235 Q C 2.178 178.214 176.000 0.060 0.000 0.980 235 Q CA 1.713 57.543 55.803 0.045 0.000 0.840 235 Q CB -0.392 28.370 28.738 0.041 0.000 0.898 235 Q HN 0.474 nan 8.270 nan 0.000 0.424 236 V N 0.285 120.250 119.914 0.084 0.000 2.287 236 V HA -0.241 3.879 4.120 0.000 0.000 0.248 236 V C 2.223 178.400 176.094 0.138 0.000 1.053 236 V CA 1.536 63.902 62.300 0.109 0.000 1.027 236 V CB -0.496 31.421 31.823 0.156 0.000 0.646 236 V HN 0.197 nan 8.190 nan 0.000 0.447 237 V N 0.533 120.543 119.914 0.161 0.000 2.427 237 V HA -0.200 3.920 4.120 0.000 0.000 0.248 237 V C 2.302 178.454 176.094 0.098 0.000 1.051 237 V CA 1.939 64.338 62.300 0.164 0.000 1.048 237 V CB -0.799 31.093 31.823 0.115 0.000 0.666 237 V HN 0.571 nan 8.190 nan 0.000 0.456 238 N N 0.121 118.860 118.700 0.066 0.000 2.188 238 N HA -0.111 4.629 4.740 0.000 0.000 0.184 238 N C 1.708 177.241 175.510 0.038 0.000 1.018 238 N CA 1.155 54.231 53.050 0.044 0.000 0.858 238 N CB -0.386 38.119 38.487 0.031 0.000 0.989 238 N HN 0.392 nan 8.380 nan 0.000 0.426 239 L N 1.044 122.291 121.223 0.040 0.000 2.046 239 L HA -0.002 4.338 4.340 0.000 0.000 0.208 239 L C 2.064 178.949 176.870 0.025 0.000 1.077 239 L CA 1.472 56.328 54.840 0.026 0.000 0.747 239 L CB -0.638 41.436 42.059 0.024 0.000 0.896 239 L HN 0.081 nan 8.230 nan 0.000 0.432 240 M N -1.794 117.831 119.600 0.042 0.000 2.132 240 M HA -0.175 4.305 4.480 0.000 0.000 0.263 240 M C 2.098 178.422 176.300 0.040 0.000 1.065 240 M CA 1.506 56.831 55.300 0.041 0.000 1.122 240 M CB -0.342 32.301 32.600 0.072 0.000 1.365 240 M HN 0.150 nan 8.290 nan 0.000 0.411 241 V N 0.465 120.408 119.914 0.048 0.000 2.407 241 V HA -0.275 3.845 4.120 0.000 0.000 0.248 241 V C 1.806 177.907 176.094 0.011 0.000 1.055 241 V CA 1.735 64.056 62.300 0.035 0.000 1.049 241 V CB -0.734 31.113 31.823 0.040 0.000 0.662 241 V HN 0.415 nan 8.190 nan 0.000 0.455 242 D N 0.295 120.700 120.400 0.009 0.000 2.092 242 D HA -0.173 4.467 4.640 0.000 0.000 0.193 242 D C 2.245 178.534 176.300 -0.017 0.000 0.994 242 D CA 1.388 55.385 54.000 -0.005 0.000 0.828 242 D CB -0.223 40.575 40.800 -0.003 0.000 0.963 242 D HN 0.424 nan 8.370 nan 0.000 0.450 243 K N 0.307 120.701 120.400 -0.011 0.000 2.152 243 K HA -0.090 4.230 4.320 0.000 0.000 0.206 243 K C 2.367 178.949 176.600 -0.030 0.000 1.048 243 K CA 0.510 56.787 56.287 -0.018 0.000 0.933 243 K CB -0.120 32.376 32.500 -0.007 0.000 0.721 243 K HN 0.152 nan 8.250 nan 0.000 0.447 244 L N 0.763 121.973 121.223 -0.022 0.000 2.027 244 L HA -0.171 4.169 4.340 0.000 0.000 0.206 244 L C 2.315 179.118 176.870 -0.111 0.000 1.074 244 L CA 0.998 55.812 54.840 -0.042 0.000 0.745 244 L CB -0.302 41.757 42.059 0.000 0.000 0.898 244 L HN 0.188 nan 8.230 nan 0.000 0.433 245 L N -0.532 120.644 121.223 -0.078 0.000 2.083 245 L HA -0.203 4.137 4.340 0.000 0.000 0.209 245 L C 2.750 179.549 176.870 -0.119 0.000 1.083 245 L CA 1.094 55.877 54.840 -0.095 0.000 0.752 245 L CB -0.635 41.391 42.059 -0.054 0.000 0.899 245 L HN 0.261 nan 8.230 nan 0.000 0.433 246 A N -0.396 122.366 122.820 -0.097 0.000 2.067 246 A HA -0.040 4.280 4.320 0.000 0.000 0.219 246 A C 2.324 179.827 177.584 -0.135 0.000 1.158 246 A CA 1.563 53.545 52.037 -0.092 0.000 0.661 246 A CB -0.373 18.592 19.000 -0.059 0.000 0.801 246 A HN 0.418 nan 8.150 nan 0.000 0.452 247 A N -1.120 121.575 122.820 -0.209 0.000 2.115 247 A HA 0.507 4.827 4.320 0.000 0.000 0.211 247 A C 0.891 178.079 177.584 -0.661 0.000 1.169 247 A CA -0.148 51.692 52.037 -0.328 0.000 0.787 247 A CB -0.103 18.743 19.000 -0.257 0.000 0.858 247 A HN 0.386 nan 8.150 nan 0.000 0.474 248 L N 0.550 121.418 121.223 -0.592 0.000 2.439 248 L HA 0.317 4.657 4.340 0.000 0.000 0.261 248 L C -2.184 174.508 176.870 -0.297 0.000 1.153 248 L CA -2.081 52.408 54.840 -0.585 0.000 0.808 248 L CB 0.338 42.174 42.059 -0.371 0.000 1.126 248 L HN 0.027 nan 8.230 nan 0.000 0.460 249 P HA -0.019 nan 4.420 nan 0.000 0.270 249 P C 0.035 177.284 177.300 -0.085 0.000 1.223 249 P CA -0.289 62.751 63.100 -0.100 0.000 0.785 249 P CB 0.416 32.086 31.700 -0.050 0.000 0.923 250 E N 0.258 120.422 120.200 -0.059 0.000 2.418 250 E HA -0.053 4.297 4.350 0.000 0.000 0.197 250 E C 0.030 176.607 176.600 -0.039 0.000 1.026 250 E CA 0.512 56.882 56.400 -0.050 0.000 0.862 250 E CB -0.155 29.523 29.700 -0.037 0.000 0.799 250 E HN 0.510 nan 8.360 nan 0.000 0.518 251 T N -3.233 111.302 114.554 -0.031 0.000 2.864 251 T HA 0.659 5.009 4.350 0.000 0.000 0.299 251 T C -0.045 174.646 174.700 -0.014 0.000 1.166 251 T CA -0.357 61.730 62.100 -0.022 0.000 1.007 251 T CB 2.003 70.863 68.868 -0.014 0.000 1.219 251 T HN 0.512 nan 8.240 nan 0.000 0.506 252 G N 1.159 109.954 108.800 -0.008 0.000 2.465 252 G HA2 0.307 4.267 3.960 0.000 0.000 0.681 252 G HA3 0.307 4.267 3.960 0.000 0.000 0.681 252 G C -1.167 173.737 174.900 0.007 0.000 1.340 252 G CA -1.254 43.849 45.100 0.006 0.000 0.884 252 G HN 0.760 nan 8.290 nan 0.000 0.650 253 R N -0.590 119.924 120.500 0.023 0.000 2.679 253 R HA 0.750 5.090 4.340 0.000 0.000 0.269 253 R C 0.356 176.689 176.300 0.054 0.000 1.076 253 R CA -0.317 55.800 56.100 0.030 0.000 1.160 253 R CB 0.186 30.514 30.300 0.047 0.000 1.054 253 R HN 0.570 nan 8.270 nan 0.000 0.507 254 L N 0.105 121.366 121.223 0.064 0.000 2.434 254 L HA 0.642 4.982 4.340 0.000 0.000 0.260 254 L C -0.520 176.435 176.870 0.143 0.000 0.983 254 L CA -1.144 53.750 54.840 0.090 0.000 0.820 254 L CB 2.296 44.390 42.059 0.058 0.000 1.361 254 L HN 0.604 nan 8.230 nan 0.000 0.410 255 A N 2.027 124.946 122.820 0.165 0.000 2.318 255 A HA 0.842 5.162 4.320 0.000 0.000 0.324 255 A C -0.908 176.760 177.584 0.141 0.000 1.170 255 A CA -0.529 51.634 52.037 0.210 0.000 0.810 255 A CB 1.447 20.570 19.000 0.205 0.000 1.198 255 A HN 0.375 nan 8.150 nan 0.000 0.484 256 V N 3.612 123.604 119.914 0.129 0.000 2.540 256 V HA 0.478 4.598 4.120 0.000 0.000 0.302 256 V C -0.135 176.004 176.094 0.075 0.000 1.035 256 V CA -0.354 62.003 62.300 0.094 0.000 0.873 256 V CB 1.671 33.543 31.823 0.082 0.000 0.992 256 V HN 0.985 nan 8.190 nan 0.000 0.428 257 M N 6.377 126.013 119.600 0.059 0.000 2.101 257 M HA 0.613 5.093 4.480 0.000 0.000 0.340 257 M C -1.391 174.936 176.300 0.045 0.000 1.057 257 M CA -0.394 54.923 55.300 0.029 0.000 0.984 257 M CB 0.851 33.455 32.600 0.006 0.000 1.560 257 M HN 0.567 nan 8.290 nan 0.000 0.435 258 I N 5.089 125.679 120.570 0.033 0.000 2.287 258 I HA 0.267 4.437 4.170 0.000 0.000 0.290 258 I C -0.367 175.781 176.117 0.052 0.000 1.069 258 I CA -0.300 61.030 61.300 0.049 0.000 1.237 258 I CB 0.557 38.554 38.000 -0.004 0.000 1.418 258 I HN 0.656 nan 8.210 nan 0.000 0.481 259 N N 4.926 123.687 118.700 0.100 0.000 2.421 259 N HA 0.215 4.955 4.740 0.000 0.000 0.285 259 N C -0.608 174.988 175.510 0.144 0.000 1.027 259 N CA -0.502 52.605 53.050 0.095 0.000 0.918 259 N CB 0.924 39.455 38.487 0.073 0.000 1.152 259 N HN 0.398 nan 8.380 nan 0.000 0.485 260 N N 4.470 123.237 118.700 0.113 0.000 2.414 260 N HA 0.117 4.857 4.740 0.000 0.000 0.256 260 N C 0.349 175.930 175.510 0.118 0.000 1.029 260 N CA -0.378 52.750 53.050 0.129 0.000 0.948 260 N CB 0.588 39.127 38.487 0.087 0.000 1.102 260 N HN 0.523 nan 8.380 nan 0.000 0.496 261 L N 3.152 124.450 121.223 0.125 0.000 2.450 261 L HA 0.088 4.428 4.340 0.000 0.000 0.224 261 L C 1.743 178.677 176.870 0.105 0.000 1.149 261 L CA 1.420 56.320 54.840 0.099 0.000 0.816 261 L CB -1.313 40.791 42.059 0.074 0.000 0.932 261 L HN 0.929 nan 8.230 nan 0.000 0.449 262 G N -2.287 106.573 108.800 0.099 0.000 2.705 262 G HA2 -0.150 3.810 3.960 0.000 0.000 0.193 262 G HA3 -0.150 3.810 3.960 0.000 0.000 0.193 262 G C 1.031 175.977 174.900 0.077 0.000 1.015 262 G CA -0.057 45.096 45.100 0.088 0.000 0.743 262 G HN 0.403 nan 8.290 nan 0.000 0.476 263 G N 0.177 109.027 108.800 0.082 0.000 3.377 263 G HA2 0.499 4.459 3.960 0.000 0.000 0.257 263 G HA3 0.499 4.459 3.960 0.000 0.000 0.257 263 G C 0.294 175.239 174.900 0.075 0.000 1.038 263 G CA 0.684 45.829 45.100 0.075 0.000 0.809 263 G HN 0.752 nan 8.290 nan 0.000 0.526 264 V N 2.241 122.207 119.914 0.086 0.000 2.649 264 V HA 0.391 4.511 4.120 0.000 0.000 0.292 264 V C 0.934 177.060 176.094 0.053 0.000 1.055 264 V CA -0.664 61.686 62.300 0.084 0.000 1.023 264 V CB 1.339 33.231 31.823 0.115 0.000 0.992 264 V HN 0.413 nan 8.190 nan 0.000 0.480 265 S N 3.406 119.129 115.700 0.039 0.000 2.585 265 S HA 0.199 4.669 4.470 0.000 0.000 0.273 265 S C 1.039 175.644 174.600 0.010 0.000 1.339 265 S CA -0.593 57.621 58.200 0.023 0.000 1.028 265 S CB 1.342 64.553 63.200 0.018 0.000 0.906 265 S HN 0.384 nan 8.310 nan 0.000 0.528 266 V N 2.437 122.354 119.914 0.004 0.000 2.407 266 V HA -0.190 3.930 4.120 0.000 0.000 0.248 266 V C 2.913 178.997 176.094 -0.017 0.000 1.055 266 V CA 2.272 64.568 62.300 -0.006 0.000 1.049 266 V CB -1.838 29.983 31.823 -0.005 0.000 0.662 266 V HN 1.033 nan 8.190 nan 0.000 0.455 267 A N -0.124 122.689 122.820 -0.012 0.000 1.865 267 A HA -0.292 4.028 4.320 0.000 0.000 0.217 267 A C 2.177 179.744 177.584 -0.028 0.000 1.191 267 A CA 2.142 54.168 52.037 -0.017 0.000 0.623 267 A CB -0.583 18.411 19.000 -0.010 0.000 0.826 267 A HN 0.612 nan 8.150 nan 0.000 0.444 268 E N -0.874 119.312 120.200 -0.022 0.000 2.085 268 E HA -0.206 4.144 4.350 0.000 0.000 0.194 268 E C 2.112 178.660 176.600 -0.087 0.000 0.994 268 E CA 1.452 57.831 56.400 -0.035 0.000 0.801 268 E CB -0.259 29.439 29.700 -0.003 0.000 0.743 268 E HN 0.485 nan 8.360 nan 0.000 0.453 269 M N 0.109 119.661 119.600 -0.080 0.000 2.202 269 M HA -0.138 4.342 4.480 0.000 0.000 0.262 269 M C 2.386 178.611 176.300 -0.125 0.000 1.063 269 M CA 1.180 56.406 55.300 -0.124 0.000 1.097 269 M CB -0.843 31.717 32.600 -0.067 0.000 1.382 269 M HN 0.138 nan 8.290 nan 0.000 0.413 270 A N 0.481 123.252 122.820 -0.082 0.000 1.873 270 A HA -0.100 4.220 4.320 0.000 0.000 0.215 270 A C 2.193 179.728 177.584 -0.082 0.000 1.186 270 A CA 1.154 53.150 52.037 -0.069 0.000 0.616 270 A CB -0.736 18.237 19.000 -0.046 0.000 0.823 270 A HN 0.442 nan 8.150 nan 0.000 0.442 271 I N 0.056 120.577 120.570 -0.081 0.000 2.208 271 I HA -0.251 3.919 4.170 0.000 0.000 0.245 271 I C 2.102 178.150 176.117 -0.116 0.000 1.097 271 I CA 0.915 62.168 61.300 -0.079 0.000 1.363 271 I CB -0.370 37.593 38.000 -0.061 0.000 1.051 271 I HN 0.222 nan 8.210 nan 0.000 0.413 272 I N 0.712 121.167 120.570 -0.191 0.000 2.208 272 I HA -0.251 3.919 4.170 0.000 0.000 0.245 272 I C 2.640 178.631 176.117 -0.210 0.000 1.097 272 I CA 1.782 62.900 61.300 -0.302 0.000 1.363 272 I CB -1.814 35.794 38.000 -0.654 0.000 1.051 272 I HN 0.231 nan 8.210 nan 0.000 0.413 273 T N 0.514 114.969 114.554 -0.165 0.000 2.788 273 T HA -0.212 4.138 4.350 0.000 0.000 0.268 273 T C 2.074 176.730 174.700 -0.073 0.000 1.044 273 T CA 1.414 63.453 62.100 -0.102 0.000 1.139 273 T CB -0.216 68.607 68.868 -0.076 0.000 0.867 273 T HN 0.315 nan 8.240 nan 0.000 0.454 274 R N 0.886 121.341 120.500 -0.074 0.000 2.075 274 R HA -0.102 4.238 4.340 0.000 0.000 0.232 274 R C 2.209 178.473 176.300 -0.060 0.000 1.126 274 R CA 1.246 57.308 56.100 -0.062 0.000 0.963 274 R CB -0.046 30.220 30.300 -0.057 0.000 0.858 274 R HN 0.311 nan 8.270 nan 0.000 0.435 275 E N 0.983 121.146 120.200 -0.061 0.000 2.051 275 E HA -0.227 4.123 4.350 0.000 0.000 0.192 275 E C 2.043 178.627 176.600 -0.027 0.000 0.991 275 E CA 1.014 57.389 56.400 -0.041 0.000 0.799 275 E CB -0.451 29.227 29.700 -0.036 0.000 0.748 275 E HN 0.286 nan 8.360 nan 0.000 0.449 276 L N 1.115 122.322 121.223 -0.027 0.000 2.042 276 L HA -0.119 4.221 4.340 0.000 0.000 0.210 276 L C 2.236 179.114 176.870 0.013 0.000 1.076 276 L CA 2.162 57.005 54.840 0.004 0.000 0.749 276 L CB -0.577 41.484 42.059 0.003 0.000 0.893 276 L HN 0.064 nan 8.230 nan 0.000 0.432 277 A N -1.868 120.943 122.820 -0.015 0.000 2.067 277 A HA -0.092 4.228 4.320 0.000 0.000 0.219 277 A C 2.148 179.653 177.584 -0.132 0.000 1.158 277 A CA 1.659 53.679 52.037 -0.029 0.000 0.661 277 A CB -0.524 18.445 19.000 -0.053 0.000 0.801 277 A HN 0.533 nan 8.150 nan 0.000 0.452 278 S N -0.161 115.479 115.700 -0.101 0.000 2.540 278 S HA 0.138 4.608 4.470 0.000 0.000 0.218 278 S C 0.834 175.408 174.600 -0.044 0.000 0.977 278 S CA 0.221 58.344 58.200 -0.128 0.000 0.918 278 S CB -0.058 63.084 63.200 -0.095 0.000 0.806 278 S HN 0.726 nan 8.310 nan 0.000 0.496 279 S N 1.867 117.573 115.700 0.010 0.000 2.632 279 S HA 0.354 4.824 4.470 0.000 0.000 0.267 279 S C -2.305 172.340 174.600 0.075 0.000 1.276 279 S CA -1.102 57.120 58.200 0.038 0.000 0.998 279 S CB 0.579 63.804 63.200 0.042 0.000 0.953 279 S HN -0.116 nan 8.310 nan 0.000 0.547 280 P HA -0.007 nan 4.420 nan 0.000 0.226 280 P C 1.065 178.395 177.300 0.050 0.000 1.146 280 P CA 0.323 63.455 63.100 0.053 0.000 0.773 280 P CB 0.004 31.720 31.700 0.026 0.000 0.772 281 L N -1.395 119.862 121.223 0.057 0.000 2.418 281 L HA -0.037 4.303 4.340 0.000 0.000 0.218 281 L C 2.259 179.160 176.870 0.050 0.000 1.125 281 L CA 1.326 56.190 54.840 0.039 0.000 0.835 281 L CB -1.172 40.911 42.059 0.040 0.000 0.953 281 L HN 0.025 nan 8.230 nan 0.000 0.454 282 H N 0.040 119.104 119.070 -0.009 0.000 2.289 282 H HA -0.226 4.330 4.556 0.000 0.000 0.294 282 H C 2.199 177.514 175.328 -0.022 0.000 1.095 282 H CA 2.246 58.285 56.048 -0.015 0.000 1.256 282 H CB -0.610 29.142 29.762 -0.016 0.000 1.359 282 H HN 0.482 nan 8.280 nan 0.000 0.487 283 S N -0.434 114.959 115.700 -0.512 0.000 2.584 283 S HA -0.064 4.406 4.470 0.000 0.000 0.240 283 S C 1.634 176.081 174.600 -0.255 0.000 0.975 283 S CA 0.965 58.861 58.200 -0.506 0.000 0.949 283 S CB -0.113 62.921 63.200 -0.276 0.000 0.761 283 S HN 0.613 nan 8.310 nan 0.000 0.536 284 R N 0.093 120.496 120.500 -0.161 0.000 2.476 284 R HA 0.410 4.750 4.340 0.000 0.000 0.276 284 R C -0.327 175.935 176.300 -0.063 0.000 0.941 284 R CA -0.198 55.847 56.100 -0.091 0.000 1.088 284 R CB 0.422 30.691 30.300 -0.052 0.000 1.216 284 R HN 0.399 nan 8.270 nan 0.000 0.533 285 I N 1.789 122.314 120.570 -0.075 0.000 2.371 285 I HA 0.067 4.237 4.170 0.000 0.000 0.290 285 I C 0.111 176.168 176.117 -0.101 0.000 1.028 285 I CA 0.351 61.629 61.300 -0.037 0.000 1.345 285 I CB 1.174 39.175 38.000 0.002 0.000 1.407 285 I HN 0.016 nan 8.210 nan 0.000 0.501 286 D N 4.587 124.919 120.400 -0.114 0.000 2.479 286 D HA 0.118 4.758 4.640 0.000 0.000 0.216 286 D C -0.536 175.327 176.300 -0.730 0.000 1.110 286 D CA 0.631 54.390 54.000 -0.401 0.000 0.841 286 D CB 0.631 41.218 40.800 -0.354 0.000 1.040 286 D HN 0.457 nan 8.370 nan 0.000 0.505 287 W N 0.685 121.998 121.300 0.021 0.000 3.372 287 W HA 0.495 5.155 4.660 0.000 0.000 0.315 287 W C -0.952 175.578 176.519 0.018 0.000 1.223 287 W CA -0.683 56.676 57.345 0.024 0.000 1.202 287 W CB 1.261 30.743 29.460 0.036 0.000 1.367 287 W HN -0.393 nan 8.180 nan 0.000 0.531 288 L N 3.516 124.893 121.223 0.257 0.000 2.346 288 L HA 0.624 4.964 4.340 0.000 0.000 0.276 288 L C -0.865 176.065 176.870 0.100 0.000 1.006 288 L CA -1.151 53.770 54.840 0.135 0.000 0.817 288 L CB 1.462 43.567 42.059 0.077 0.000 1.272 288 L HN 0.260 nan 8.230 nan 0.000 0.421 289 I N 2.819 123.409 120.570 0.032 0.000 2.390 289 I HA 0.739 4.909 4.170 0.000 0.000 0.283 289 I C 0.513 176.589 176.117 -0.069 0.000 1.016 289 I CA -0.075 61.182 61.300 -0.072 0.000 1.151 289 I CB 1.251 39.170 38.000 -0.135 0.000 1.293 289 I HN 0.761 nan 8.210 nan 0.000 0.458 290 G N 6.935 115.692 108.800 -0.072 0.000 2.500 290 G HA2 -0.061 3.899 3.960 0.000 0.000 0.209 290 G HA3 -0.061 3.899 3.960 0.000 0.000 0.209 290 G C -2.965 171.919 174.900 -0.026 0.000 1.283 290 G CA -1.105 43.967 45.100 -0.047 0.000 0.960 290 G HN 0.481 nan 8.290 nan 0.000 0.528 291 P HA 0.492 nan 4.420 nan 0.000 0.264 291 P C -0.099 177.192 177.300 -0.015 0.000 1.193 291 P CA 1.218 64.303 63.100 -0.025 0.000 0.763 291 P CB 1.150 32.824 31.700 -0.043 0.000 0.810 292 A N 2.453 125.273 122.820 0.000 0.000 2.597 292 A HA 0.479 4.799 4.320 0.000 0.000 0.292 292 A C -0.659 176.949 177.584 0.041 0.000 1.057 292 A CA -0.613 51.431 52.037 0.012 0.000 0.674 292 A CB 0.681 19.678 19.000 -0.004 0.000 1.278 292 A HN 0.317 nan 8.150 nan 0.000 0.416 293 S N 1.259 116.991 115.700 0.053 0.000 2.411 293 S HA 0.410 4.880 4.470 0.000 0.000 0.304 293 S C 0.745 175.410 174.600 0.108 0.000 1.098 293 S CA -0.292 57.954 58.200 0.076 0.000 1.068 293 S CB -0.313 62.926 63.200 0.066 0.000 1.032 293 S HN 0.509 nan 8.310 nan 0.000 0.511 294 L N 2.629 123.932 121.223 0.133 0.000 2.433 294 L HA 0.338 4.678 4.340 0.000 0.000 0.200 294 L C -0.123 176.897 176.870 0.249 0.000 1.059 294 L CA 0.271 55.255 54.840 0.240 0.000 0.835 294 L CB 0.194 42.355 42.059 0.169 0.000 1.076 294 L HN 0.332 nan 8.230 nan 0.000 0.481 295 V N 0.995 120.987 119.914 0.129 0.000 2.398 295 V HA 0.273 4.393 4.120 0.000 0.000 0.282 295 V C 0.037 176.182 176.094 0.085 0.000 1.014 295 V CA -0.515 61.833 62.300 0.080 0.000 0.838 295 V CB 1.185 32.992 31.823 -0.027 0.000 1.018 295 V HN 0.357 nan 8.190 nan 0.000 0.432 296 T N 1.372 116.021 114.554 0.159 0.000 2.910 296 T HA 0.827 5.177 4.350 0.000 0.000 0.279 296 T C 0.181 175.060 174.700 0.298 0.000 0.989 296 T CA -0.273 61.934 62.100 0.178 0.000 0.968 296 T CB 2.206 71.171 68.868 0.161 0.000 1.135 296 T HN 0.898 nan 8.240 nan 0.000 0.562 297 A N 1.078 124.052 122.820 0.256 0.000 3.317 297 A HA 0.635 4.955 4.320 0.000 0.000 0.307 297 A C 0.647 178.421 177.584 0.316 0.000 1.003 297 A CA -0.749 51.495 52.037 0.345 0.000 0.882 297 A CB -1.070 18.034 19.000 0.174 0.000 1.136 297 A HN 1.026 nan 8.150 nan 0.000 0.488 298 L N -0.748 120.630 121.223 0.260 0.000 6.223 298 L HA -0.334 4.006 4.340 0.000 0.000 0.053 298 L C 1.292 178.238 176.870 0.126 0.000 2.244 298 L CA 1.765 56.701 54.840 0.161 0.000 1.647 298 L CB -0.504 41.657 42.059 0.169 0.000 2.769 298 L HN 0.777 nan 8.230 nan 0.000 1.016 299 D N 0.260 120.730 120.400 0.116 0.000 2.395 299 D HA 0.141 4.781 4.640 0.000 0.000 0.226 299 D C 0.612 176.962 176.300 0.082 0.000 1.146 299 D CA -0.100 53.956 54.000 0.095 0.000 0.830 299 D CB -0.049 40.818 40.800 0.111 0.000 0.958 299 D HN 0.457 nan 8.370 nan 0.000 0.501 300 M N 1.124 120.778 119.600 0.090 0.000 2.336 300 M HA -0.090 4.390 4.480 0.000 0.000 0.371 300 M C 0.310 176.648 176.300 0.063 0.000 1.542 300 M CA 0.289 55.627 55.300 0.063 0.000 0.959 300 M CB 0.445 33.092 32.600 0.079 0.000 2.033 300 M HN -0.159 nan 8.290 nan 0.000 0.472 301 K N 4.765 125.194 120.400 0.049 0.000 2.155 301 K HA 0.410 4.730 4.320 0.000 0.000 0.240 301 K C -0.470 176.181 176.600 0.084 0.000 1.193 301 K CA -0.075 56.255 56.287 0.072 0.000 1.104 301 K CB -0.218 32.321 32.500 0.066 0.000 1.558 301 K HN 0.829 nan 8.250 nan 0.000 0.313 302 G N 1.724 110.580 108.800 0.093 0.000 2.645 302 G HA2 0.601 4.561 3.960 0.000 0.000 0.292 302 G HA3 0.601 4.561 3.960 0.000 0.000 0.292 302 G C -1.611 173.374 174.900 0.141 0.000 1.415 302 G CA -0.961 44.176 45.100 0.062 0.000 0.785 302 G HN 0.365 nan 8.290 nan 0.000 0.483 303 F N -0.650 119.317 119.950 0.029 0.000 2.643 303 F HA 0.886 5.413 4.527 0.000 0.000 0.314 303 F C -0.232 175.580 175.800 0.020 0.000 1.096 303 F CA -1.192 56.823 58.000 0.024 0.000 0.953 303 F CB 1.867 40.880 39.000 0.023 0.000 1.345 303 F HN 0.760 nan 8.300 nan 0.000 0.468 304 S N 1.370 117.191 115.700 0.201 0.000 2.570 304 S HA 0.846 5.316 4.470 0.000 0.000 0.286 304 S C -1.550 173.181 174.600 0.218 0.000 1.099 304 S CA -0.846 57.405 58.200 0.084 0.000 0.913 304 S CB 1.857 65.069 63.200 0.020 0.000 1.085 304 S HN 0.861 nan 8.310 nan 0.000 0.480 305 L N 1.904 123.221 121.223 0.156 0.000 2.349 305 L HA 0.549 4.889 4.340 0.000 0.000 0.278 305 L C -0.614 176.315 176.870 0.099 0.000 0.996 305 L CA -0.394 54.539 54.840 0.156 0.000 0.825 305 L CB 2.192 44.361 42.059 0.184 0.000 1.243 305 L HN 0.767 nan 8.230 nan 0.000 0.412 306 T N 2.444 117.049 114.554 0.085 0.000 2.792 306 T HA 0.662 5.012 4.350 0.000 0.000 0.280 306 T C -0.237 174.518 174.700 0.092 0.000 0.990 306 T CA -0.479 61.666 62.100 0.075 0.000 0.960 306 T CB 1.730 70.621 68.868 0.038 0.000 0.939 306 T HN 0.602 nan 8.240 nan 0.000 0.439 307 A N 3.622 126.520 122.820 0.130 0.000 2.318 307 A HA 0.835 5.155 4.320 0.000 0.000 0.324 307 A C -0.646 177.050 177.584 0.187 0.000 1.170 307 A CA -0.714 51.409 52.037 0.142 0.000 0.810 307 A CB 0.461 19.537 19.000 0.127 0.000 1.198 307 A HN 0.894 nan 8.150 nan 0.000 0.484 308 I N 3.036 123.686 120.570 0.133 0.000 2.465 308 I HA 0.498 4.668 4.170 0.000 0.000 0.291 308 I C -0.753 175.425 176.117 0.102 0.000 1.014 308 I CA -0.646 60.717 61.300 0.106 0.000 1.093 308 I CB 1.899 39.928 38.000 0.048 0.000 1.267 308 I HN 0.381 nan 8.210 nan 0.000 0.431 309 V N 8.110 128.084 119.914 0.100 0.000 2.521 309 V HA 0.083 4.203 4.120 0.000 0.000 0.286 309 V C 0.510 176.631 176.094 0.045 0.000 1.034 309 V CA -0.240 62.101 62.300 0.068 0.000 1.045 309 V CB 0.851 32.709 31.823 0.060 0.000 0.974 309 V HN 0.533 nan 8.190 nan 0.000 0.480 310 L N 5.810 127.075 121.223 0.069 0.000 2.399 310 L HA 0.354 4.694 4.340 0.000 0.000 0.257 310 L C 0.325 177.245 176.870 0.083 0.000 1.236 310 L CA 0.051 54.940 54.840 0.081 0.000 1.144 310 L CB -0.351 41.781 42.059 0.122 0.000 1.379 310 L HN 0.625 nan 8.230 nan 0.000 0.414 311 E N 2.193 122.448 120.200 0.091 0.000 2.227 311 E HA 0.371 4.721 4.350 0.000 0.000 0.268 311 E C 0.251 176.972 176.600 0.202 0.000 0.907 311 E CA -0.506 55.978 56.400 0.140 0.000 0.786 311 E CB 2.007 31.810 29.700 0.173 0.000 1.191 311 E HN 0.281 nan 8.360 nan 0.000 0.411 312 E N 0.450 120.744 120.200 0.157 0.000 3.259 312 E HA -0.248 4.102 4.350 0.000 0.000 0.332 312 E C 1.038 177.696 176.600 0.096 0.000 1.477 312 E CA 1.242 57.716 56.400 0.123 0.000 1.742 312 E CB -1.391 28.386 29.700 0.128 0.000 1.842 312 E HN 0.497 nan 8.360 nan 0.000 0.499 313 S N 0.779 116.543 115.700 0.106 0.000 2.515 313 S HA -0.018 4.452 4.470 0.000 0.000 0.231 313 S C 1.888 176.474 174.600 -0.024 0.000 0.987 313 S CA 0.520 58.749 58.200 0.047 0.000 0.936 313 S CB -0.105 63.211 63.200 0.194 0.000 0.766 313 S HN 0.258 nan 8.310 nan 0.000 0.528 314 I N 2.279 122.889 120.570 0.067 0.000 2.068 314 I HA -0.246 3.924 4.170 0.000 0.000 0.238 314 I C 2.639 178.707 176.117 -0.081 0.000 1.046 314 I CA 1.697 63.003 61.300 0.010 0.000 1.306 314 I CB -1.311 36.712 38.000 0.038 0.000 1.023 314 I HN 0.421 nan 8.210 nan 0.000 0.399 315 E N 0.890 121.063 120.200 -0.044 0.000 2.085 315 E HA -0.292 4.058 4.350 0.000 0.000 0.194 315 E C 2.302 178.797 176.600 -0.175 0.000 0.994 315 E CA 1.709 58.064 56.400 -0.076 0.000 0.801 315 E CB -0.049 29.671 29.700 0.033 0.000 0.743 315 E HN 0.361 nan 8.360 nan 0.000 0.453 316 K N 0.046 120.331 120.400 -0.193 0.000 2.032 316 K HA -0.183 4.137 4.320 0.000 0.000 0.209 316 K C 2.031 178.344 176.600 -0.477 0.000 1.048 316 K CA 1.381 57.500 56.287 -0.280 0.000 0.927 316 K CB -0.221 32.105 32.500 -0.290 0.000 0.712 316 K HN 0.154 nan 8.250 nan 0.000 0.441 317 A N 1.234 123.652 122.820 -0.670 0.000 1.969 317 A HA -0.074 4.246 4.320 0.000 0.000 0.218 317 A C 2.121 179.482 177.584 -0.372 0.000 1.169 317 A CA 1.021 52.585 52.037 -0.789 0.000 0.635 317 A CB -0.434 18.129 19.000 -0.729 0.000 0.810 317 A HN 0.327 nan 8.150 nan 0.000 0.445 318 L N -0.737 120.324 121.223 -0.270 0.000 2.056 318 L HA -0.118 4.222 4.340 0.000 0.000 0.207 318 L C 2.177 178.962 176.870 -0.141 0.000 1.078 318 L CA 1.041 55.783 54.840 -0.163 0.000 0.749 318 L CB -0.452 41.541 42.059 -0.110 0.000 0.901 318 L HN 0.367 nan 8.230 nan 0.000 0.433 319 L N -0.391 120.683 121.223 -0.248 0.000 2.552 319 L HA -0.015 4.325 4.340 0.000 0.000 0.227 319 L C 1.134 177.941 176.870 -0.105 0.000 1.146 319 L CA -0.102 54.593 54.840 -0.241 0.000 0.858 319 L CB -0.941 40.896 42.059 -0.370 0.000 0.969 319 L HN 0.343 nan 8.230 nan 0.000 0.451 320 T N -2.007 112.490 114.554 -0.094 0.000 2.901 320 T HA 0.175 4.525 4.350 0.000 0.000 0.301 320 T C 0.203 174.887 174.700 -0.026 0.000 1.012 320 T CA -0.684 61.402 62.100 -0.023 0.000 1.135 320 T CB 0.826 69.735 68.868 0.069 0.000 0.936 320 T HN 0.129 nan 8.240 nan 0.000 0.539 321 E N 1.046 121.254 120.200 0.012 0.000 2.398 321 E HA 0.433 4.783 4.350 0.000 0.000 0.263 321 E C 0.409 176.979 176.600 -0.049 0.000 1.046 321 E CA -0.743 55.682 56.400 0.041 0.000 0.908 321 E CB 1.015 30.761 29.700 0.076 0.000 0.963 321 E HN 0.688 nan 8.360 nan 0.000 0.431 322 V N -1.116 118.765 119.914 -0.054 0.000 3.156 322 V HA 0.472 4.592 4.120 0.000 0.000 0.311 322 V C -0.853 175.090 176.094 -0.251 0.000 1.208 322 V CA -1.005 61.191 62.300 -0.174 0.000 1.063 322 V CB 2.027 33.712 31.823 -0.230 0.000 1.098 322 V HN 0.648 nan 8.190 nan 0.000 0.452 323 E N 1.678 121.589 120.200 -0.482 0.000 2.683 323 E HA 0.522 4.872 4.350 0.000 0.000 0.224 323 E C -0.708 175.500 176.600 -0.653 0.000 1.046 323 E CA -0.305 55.412 56.400 -1.138 0.000 0.811 323 E CB 1.405 30.117 29.700 -1.647 0.000 1.296 323 E HN 0.991 nan 8.360 nan 0.000 0.421 324 T N -2.619 111.900 114.554 -0.058 0.000 2.887 324 T HA 0.280 4.630 4.350 0.000 0.000 0.292 324 T C 0.963 175.887 174.700 0.373 0.000 1.087 324 T CA -0.737 61.463 62.100 0.166 0.000 1.009 324 T CB 1.695 70.689 68.868 0.209 0.000 1.203 324 T HN -0.020 nan 8.240 nan 0.000 0.518 325 S N 0.648 116.472 115.700 0.207 0.000 2.423 325 S HA 0.003 4.473 4.470 0.000 0.000 0.231 325 S C 1.204 175.841 174.600 0.063 0.000 1.014 325 S CA 0.669 58.951 58.200 0.138 0.000 0.965 325 S CB -0.323 62.896 63.200 0.033 0.000 0.785 325 S HN 0.766 nan 8.310 nan 0.000 0.495 326 N N -0.940 117.746 118.700 -0.024 0.000 2.143 326 N HA 0.043 4.783 4.740 0.000 0.000 0.229 326 N C -0.559 175.102 175.510 0.252 0.000 1.294 326 N CA -0.144 52.890 53.050 -0.027 0.000 0.883 326 N CB 0.447 38.763 38.487 -0.287 0.000 1.148 326 N HN 0.435 nan 8.380 nan 0.000 0.511 327 W N 5.839 127.319 121.300 0.301 0.000 2.264 327 W HA 0.156 4.816 4.660 0.000 0.000 0.331 327 W C -2.637 174.029 176.519 0.244 0.000 1.364 327 W CA -0.346 57.249 57.345 0.418 0.000 1.253 327 W CB 0.594 30.259 29.460 0.340 0.000 1.215 327 W HN -0.054 nan 8.180 nan 0.000 0.561 328 P HA 0.139 nan 4.420 nan 0.000 0.300 328 P C -0.726 176.187 177.300 -0.645 0.000 1.326 328 P CA -0.278 62.517 63.100 -0.508 0.000 0.844 328 P CB 1.643 33.113 31.700 -0.383 0.000 0.992 329 T N 5.613 120.055 114.554 -0.186 0.000 2.784 329 T HA 0.190 4.540 4.350 0.000 0.000 0.291 329 T C -2.033 172.650 174.700 -0.028 0.000 0.942 329 T CA -0.394 61.700 62.100 -0.010 0.000 1.161 329 T CB -0.617 68.303 68.868 0.087 0.000 0.885 329 T HN 0.341 nan 8.240 nan 0.000 0.534 330 P HA 0.211 nan 4.420 nan 0.000 0.266 330 P C -0.998 176.466 177.300 0.274 0.000 1.195 330 P CA -0.213 62.927 63.100 0.066 0.000 0.768 330 P CB 0.507 32.169 31.700 -0.064 0.000 0.838 331 V N 4.923 125.054 119.914 0.362 0.000 2.760 331 V HA 0.370 4.490 4.120 0.000 0.000 0.309 331 V C -2.435 173.815 176.094 0.259 0.000 1.077 331 V CA -2.111 60.397 62.300 0.347 0.000 0.910 331 V CB 2.278 34.195 31.823 0.157 0.000 1.008 331 V HN 0.434 nan 8.190 nan 0.000 0.424 332 P HA 0.209 nan 4.420 nan 0.000 0.271 332 P C -2.570 174.686 177.300 -0.074 0.000 1.216 332 P CA -1.350 61.623 63.100 -0.211 0.000 0.771 332 P CB 0.036 31.503 31.700 -0.389 0.000 0.864 333 P HA -0.008 nan 4.420 nan 0.000 0.261 333 P C -0.295 176.990 177.300 -0.025 0.000 1.203 333 P CA 0.264 63.354 63.100 -0.016 0.000 0.767 333 P CB 0.448 32.153 31.700 0.008 0.000 0.785 334 R N 2.648 123.138 120.500 -0.015 0.000 2.582 334 R HA 0.168 4.508 4.340 0.000 0.000 0.271 334 R C 1.035 177.327 176.300 -0.013 0.000 1.078 334 R CA -0.349 55.742 56.100 -0.016 0.000 1.127 334 R CB 0.210 30.505 30.300 -0.008 0.000 1.038 334 R HN 0.591 nan 8.270 nan 0.000 0.500 335 E N 1.784 121.977 120.200 -0.012 0.000 2.318 335 E HA 0.246 4.596 4.350 0.000 0.000 0.265 335 E C -0.386 176.205 176.600 -0.015 0.000 1.069 335 E CA -0.606 55.787 56.400 -0.012 0.000 0.893 335 E CB 0.787 30.483 29.700 -0.007 0.000 1.076 335 E HN 0.423 nan 8.360 nan 0.000 0.414 336 I N 3.450 124.008 120.570 -0.020 0.000 2.269 336 I HA 0.077 4.247 4.170 0.000 0.000 0.293 336 I C 0.459 176.567 176.117 -0.014 0.000 1.106 336 I CA -0.565 60.724 61.300 -0.018 0.000 1.248 336 I CB -0.253 37.732 38.000 -0.025 0.000 1.444 336 I HN 0.586 nan 8.210 nan 0.000 0.497 337 T N 2.095 116.643 114.554 -0.010 0.000 2.913 337 T HA 0.228 4.578 4.350 0.000 0.000 0.297 337 T C -0.206 174.490 174.700 -0.006 0.000 1.029 337 T CA -0.564 61.532 62.100 -0.007 0.000 1.104 337 T CB 1.699 70.565 68.868 -0.004 0.000 0.964 337 T HN 0.598 nan 8.240 nan 0.000 0.532 338 C N 5.084 124.381 119.300 -0.005 0.000 2.293 338 C HA 0.650 5.110 4.460 0.000 0.000 0.323 338 C C 0.288 175.278 174.990 0.001 0.000 1.240 338 C CA -0.635 58.381 59.018 -0.004 0.000 1.497 338 C CB -1.047 26.690 27.740 -0.004 0.000 2.171 338 C HN 0.947 nan 8.230 nan 0.000 0.465 339 V N 5.589 125.504 119.914 0.002 0.000 2.732 339 V HA 0.768 4.888 4.120 0.000 0.000 0.297 339 V C -0.108 175.993 176.094 0.011 0.000 1.060 339 V CA -0.185 62.118 62.300 0.006 0.000 1.038 339 V CB 1.208 33.034 31.823 0.006 0.000 1.003 339 V HN 0.563 nan 8.190 nan 0.000 0.481 340 V N 4.126 124.050 119.914 0.017 0.000 2.581 340 V HA 0.762 4.882 4.120 0.000 0.000 0.303 340 V C 0.373 176.490 176.094 0.038 0.000 1.041 340 V CA 0.247 62.564 62.300 0.029 0.000 0.907 340 V CB 1.558 33.398 31.823 0.028 0.000 0.994 340 V HN 1.327 nan 8.190 nan 0.000 0.442 341 S N 2.036 117.774 115.700 0.063 0.000 2.677 341 S HA 0.698 5.168 4.470 0.000 0.000 0.304 341 S C -0.403 174.262 174.600 0.109 0.000 1.108 341 S CA -0.656 57.589 58.200 0.075 0.000 0.944 341 S CB 2.040 65.282 63.200 0.071 0.000 1.127 341 S HN 0.773 nan 8.310 nan 0.000 0.511 342 S N 2.275 118.025 115.700 0.084 0.000 2.488 342 S HA 0.383 4.853 4.470 0.000 0.000 0.310 342 S C -0.416 174.229 174.600 0.076 0.000 1.093 342 S CA -0.821 57.408 58.200 0.048 0.000 1.129 342 S CB -0.464 62.744 63.200 0.014 0.000 0.989 342 S HN 0.874 nan 8.310 nan 0.000 0.479 343 H N 0.972 120.043 119.070 0.003 0.000 2.539 343 H HA 0.711 5.267 4.556 0.000 0.000 0.332 343 H C -0.295 175.036 175.328 0.005 0.000 1.031 343 H CA -0.942 55.109 56.048 0.004 0.000 1.206 343 H CB 1.031 30.796 29.762 0.004 0.000 1.446 343 H HN 0.549 nan 8.280 nan 0.000 0.496 344 A N 3.356 126.180 122.820 0.007 0.000 2.462 344 A HA 0.135 4.455 4.320 0.000 0.000 0.243 344 A C 0.771 178.371 177.584 0.027 0.000 1.076 344 A CA 0.006 52.028 52.037 -0.025 0.000 0.773 344 A CB 0.050 19.054 19.000 0.007 0.000 1.010 344 A HN 0.833 nan 8.150 nan 0.000 0.493 345 S N 1.748 117.446 115.700 -0.004 0.000 2.629 345 S HA 0.222 4.692 4.470 0.000 0.000 0.302 345 S C 1.425 176.063 174.600 0.063 0.000 1.244 345 S CA 0.046 58.270 58.200 0.041 0.000 1.098 345 S CB -0.024 63.185 63.200 0.015 0.000 0.858 345 S HN 1.369 nan 8.310 nan 0.000 0.502 346 A N 5.993 128.865 122.820 0.087 0.000 1.933 346 A HA -0.042 4.278 4.320 0.000 0.000 0.218 346 A C 1.374 178.995 177.584 0.062 0.000 1.175 346 A CA 0.869 52.947 52.037 0.070 0.000 0.628 346 A CB -0.525 18.513 19.000 0.064 0.000 0.814 346 A HN 0.926 nan 8.150 nan 0.000 0.444 347 R N 0.659 121.198 120.500 0.064 0.000 2.504 347 R HA 0.056 4.396 4.340 0.000 0.000 0.302 347 R C -0.251 176.100 176.300 0.085 0.000 0.893 347 R CA 0.424 56.567 56.100 0.072 0.000 1.138 347 R CB -0.120 30.220 30.300 0.067 0.000 0.880 347 R HN 0.245 nan 8.270 nan 0.000 0.415 348 V N 4.609 124.587 119.914 0.107 0.000 2.555 348 V HA 0.118 4.238 4.120 0.000 0.000 0.286 348 V C -0.144 176.085 176.094 0.225 0.000 1.044 348 V CA -0.033 62.347 62.300 0.133 0.000 1.026 348 V CB 1.126 33.014 31.823 0.110 0.000 0.981 348 V HN 0.901 nan 8.190 nan 0.000 0.480 349 E N 6.171 126.476 120.200 0.176 0.000 2.277 349 E HA 0.692 5.042 4.350 0.000 0.000 0.274 349 E C -0.933 175.827 176.600 0.267 0.000 1.022 349 E CA -0.171 56.315 56.400 0.143 0.000 0.853 349 E CB 1.623 31.346 29.700 0.038 0.000 1.086 349 E HN 0.707 nan 8.360 nan 0.000 0.397 350 F N -0.527 119.422 119.950 -0.001 0.000 2.807 350 F HA 0.478 5.005 4.527 0.000 0.000 0.316 350 F C -1.766 174.031 175.800 -0.005 0.000 1.162 350 F CA -1.209 56.789 58.000 -0.003 0.000 0.910 350 F CB 1.258 40.257 39.000 -0.002 0.000 1.314 350 F HN 0.192 nan 8.300 nan 0.000 0.454 351 Q N 1.994 121.855 119.800 0.100 0.000 2.292 351 Q HA 0.583 4.923 4.340 0.000 0.000 0.270 351 Q C -2.902 173.188 176.000 0.151 0.000 1.024 351 Q CA -2.253 53.547 55.803 -0.005 0.000 0.768 351 Q CB 2.458 31.186 28.738 -0.018 0.000 1.250 351 Q HN 0.386 nan 8.270 nan 0.000 0.447 352 P HA 0.064 nan 4.420 nan 0.000 0.263 352 P C -1.308 176.044 177.300 0.087 0.000 1.175 352 P CA 0.346 63.541 63.100 0.158 0.000 0.761 352 P CB 0.601 32.371 31.700 0.117 0.000 0.794 353 S N 1.396 117.141 115.700 0.075 0.000 2.556 353 S HA 0.823 5.293 4.470 0.000 0.000 0.271 353 S C -0.945 173.674 174.600 0.032 0.000 1.135 353 S CA -0.953 57.273 58.200 0.044 0.000 0.858 353 S CB 1.827 65.050 63.200 0.038 0.000 1.114 353 S HN 0.447 nan 8.310 nan 0.000 0.468 354 A N 1.347 124.180 122.820 0.022 0.000 2.269 354 A HA 0.884 5.204 4.320 0.000 0.000 0.319 354 A C -0.035 177.556 177.584 0.011 0.000 1.110 354 A CA -0.686 51.361 52.037 0.018 0.000 0.847 354 A CB 0.573 19.583 19.000 0.017 0.000 1.161 354 A HN 1.023 nan 8.150 nan 0.000 0.497 355 N N -0.777 117.928 118.700 0.009 0.000 4.101 355 N HA 0.126 4.866 4.740 0.000 0.000 0.182 355 N C 0.208 175.722 175.510 0.007 0.000 1.306 355 N CA 0.320 53.373 53.050 0.005 0.000 0.883 355 N CB 0.794 39.281 38.487 -0.001 0.000 1.686 355 N HN 0.718 nan 8.380 nan 0.000 0.801 356 A N 3.720 126.545 122.820 0.008 0.000 1.948 356 A HA -0.150 4.170 4.320 0.000 0.000 0.220 356 A C 2.079 179.668 177.584 0.010 0.000 1.177 356 A CA 1.269 53.312 52.037 0.010 0.000 0.636 356 A CB -0.318 18.688 19.000 0.009 0.000 0.815 356 A HN 0.656 nan 8.150 nan 0.000 0.449 357 L N -0.337 120.890 121.223 0.008 0.000 1.961 357 L HA -0.175 4.165 4.340 0.000 0.000 0.210 357 L C 2.522 179.398 176.870 0.010 0.000 1.072 357 L CA 2.030 56.875 54.840 0.009 0.000 0.749 357 L CB -0.453 41.610 42.059 0.007 0.000 0.889 357 L HN 0.269 nan 8.230 nan 0.000 0.432 358 V N 0.466 120.386 119.914 0.009 0.000 2.282 358 V HA -0.360 3.760 4.120 0.000 0.000 0.249 358 V C 2.827 178.929 176.094 0.013 0.000 1.057 358 V CA 1.901 64.209 62.300 0.013 0.000 1.032 358 V CB -1.192 30.634 31.823 0.005 0.000 0.645 358 V HN 0.640 nan 8.190 nan 0.000 0.447 359 A N 0.400 123.225 122.820 0.009 0.000 1.940 359 A HA -0.151 4.169 4.320 0.000 0.000 0.219 359 A C 2.406 179.996 177.584 0.010 0.000 1.176 359 A CA 2.093 54.135 52.037 0.008 0.000 0.631 359 A CB -1.202 17.807 19.000 0.015 0.000 0.814 359 A HN 0.570 nan 8.150 nan 0.000 0.446 360 G N -0.243 108.564 108.800 0.011 0.000 2.408 360 G HA2 -0.097 3.863 3.960 0.000 0.000 0.217 360 G HA3 -0.097 3.863 3.960 0.000 0.000 0.217 360 G C 1.373 176.276 174.900 0.004 0.000 1.150 360 G CA 1.053 46.159 45.100 0.010 0.000 0.776 360 G HN 0.367 nan 8.290 nan 0.000 0.542 361 I N 0.896 121.469 120.570 0.005 0.000 2.163 361 I HA -0.082 4.088 4.170 0.000 0.000 0.240 361 I C 3.008 179.122 176.117 -0.006 0.000 1.081 361 I CA 0.607 61.907 61.300 0.001 0.000 1.353 361 I CB -1.281 36.730 38.000 0.019 0.000 1.054 361 I HN 0.019 nan 8.210 nan 0.000 0.407 362 V N 1.187 121.100 119.914 -0.001 0.000 2.282 362 V HA -0.301 3.819 4.120 0.000 0.000 0.249 362 V C 2.662 178.732 176.094 -0.040 0.000 1.057 362 V CA 2.242 64.528 62.300 -0.024 0.000 1.032 362 V CB -0.735 31.068 31.823 -0.033 0.000 0.645 362 V HN 0.393 nan 8.190 nan 0.000 0.447 363 E N 0.224 120.410 120.200 -0.024 0.000 2.051 363 E HA -0.234 4.116 4.350 0.000 0.000 0.192 363 E C 1.948 178.545 176.600 -0.005 0.000 0.991 363 E CA 1.632 58.027 56.400 -0.008 0.000 0.799 363 E CB -0.498 29.222 29.700 0.033 0.000 0.748 363 E HN 0.397 nan 8.360 nan 0.000 0.449 364 L N -0.203 121.014 121.223 -0.009 0.000 1.994 364 L HA -0.115 4.225 4.340 0.000 0.000 0.208 364 L C 2.368 179.221 176.870 -0.028 0.000 1.071 364 L CA 1.581 56.411 54.840 -0.016 0.000 0.745 364 L CB -0.762 41.283 42.059 -0.024 0.000 0.892 364 L HN 0.146 nan 8.230 nan 0.000 0.431 365 V N -0.619 119.271 119.914 -0.039 0.000 2.287 365 V HA -0.342 3.778 4.120 0.000 0.000 0.248 365 V C 2.485 178.559 176.094 -0.034 0.000 1.053 365 V CA 2.318 64.589 62.300 -0.049 0.000 1.027 365 V CB -1.201 30.591 31.823 -0.051 0.000 0.646 365 V HN 0.565 nan 8.190 nan 0.000 0.447 366 T N 0.375 114.905 114.554 -0.041 0.000 2.665 366 T HA -0.227 4.123 4.350 0.000 0.000 0.268 366 T C 2.033 176.724 174.700 -0.015 0.000 1.035 366 T CA 1.864 63.937 62.100 -0.045 0.000 1.151 366 T CB -0.483 68.339 68.868 -0.077 0.000 0.862 366 T HN 0.596 nan 8.240 nan 0.000 0.438 367 A N 1.367 124.185 122.820 -0.002 0.000 1.855 367 A HA -0.110 4.210 4.320 0.000 0.000 0.215 367 A C 2.589 180.184 177.584 0.018 0.000 1.191 367 A CA 2.128 54.175 52.037 0.017 0.000 0.613 367 A CB -1.381 17.633 19.000 0.023 0.000 0.829 367 A HN 0.479 nan 8.150 nan 0.000 0.442 368 T N 0.916 115.476 114.554 0.010 0.000 2.653 368 T HA -0.206 4.144 4.350 0.000 0.000 0.268 368 T C 1.816 176.541 174.700 0.042 0.000 1.035 368 T CA 1.773 63.883 62.100 0.017 0.000 1.154 368 T CB -0.545 68.325 68.868 0.003 0.000 0.862 368 T HN 0.364 nan 8.240 nan 0.000 0.441 369 L N 0.567 121.818 121.223 0.047 0.000 2.017 369 L HA -0.104 4.236 4.340 0.000 0.000 0.208 369 L C 2.935 179.856 176.870 0.084 0.000 1.073 369 L CA 1.197 56.089 54.840 0.087 0.000 0.745 369 L CB -0.687 41.419 42.059 0.078 0.000 0.894 369 L HN 0.276 nan 8.230 nan 0.000 0.432 370 S N -0.188 115.545 115.700 0.055 0.000 2.370 370 S HA -0.214 4.256 4.470 0.000 0.000 0.226 370 S C 1.605 176.236 174.600 0.050 0.000 1.033 370 S CA 1.734 59.965 58.200 0.051 0.000 1.011 370 S CB -0.240 62.982 63.200 0.038 0.000 0.852 370 S HN 0.405 nan 8.310 nan 0.000 0.457 371 D N 1.102 121.529 120.400 0.045 0.000 2.178 371 D HA -0.031 4.609 4.640 0.000 0.000 0.201 371 D C 1.548 177.879 176.300 0.052 0.000 0.980 371 D CA 0.768 54.791 54.000 0.039 0.000 0.842 371 D CB -0.304 40.512 40.800 0.027 0.000 0.948 371 D HN 0.410 nan 8.370 nan 0.000 0.472 372 L N 0.650 121.916 121.223 0.071 0.000 2.599 372 L HA 0.020 4.360 4.340 0.000 0.000 0.230 372 L C 2.099 179.024 176.870 0.092 0.000 1.141 372 L CA 0.084 54.985 54.840 0.102 0.000 0.877 372 L CB -0.188 41.947 42.059 0.126 0.000 1.009 372 L HN -0.005 nan 8.230 nan 0.000 0.447 373 E N 0.489 120.728 120.200 0.065 0.000 2.055 373 E HA -0.348 4.002 4.350 0.000 0.000 0.209 373 E C 2.126 178.740 176.600 0.024 0.000 1.036 373 E CA 2.462 58.885 56.400 0.039 0.000 0.849 373 E CB -0.067 29.655 29.700 0.036 0.000 0.767 373 E HN 0.324 nan 8.360 nan 0.000 0.461 374 T N -1.110 113.468 114.554 0.040 0.000 2.788 374 T HA -0.230 4.120 4.350 0.000 0.000 0.268 374 T C 1.857 176.586 174.700 0.048 0.000 1.044 374 T CA 1.919 64.039 62.100 0.033 0.000 1.139 374 T CB -0.470 68.422 68.868 0.039 0.000 0.867 374 T HN 0.388 nan 8.240 nan 0.000 0.454 375 H N 0.506 119.569 119.070 -0.011 0.000 2.353 375 H HA 0.141 4.697 4.556 0.000 0.000 0.300 375 H C 2.058 177.369 175.328 -0.028 0.000 1.090 375 H CA 1.673 57.713 56.048 -0.013 0.000 1.327 375 H CB -0.558 29.203 29.762 -0.003 0.000 1.383 375 H HN 0.378 nan 8.280 nan 0.000 0.508 376 L N -0.101 121.036 121.223 -0.144 0.000 2.201 376 L HA -0.125 4.215 4.340 0.000 0.000 0.212 376 L C 1.992 178.734 176.870 -0.214 0.000 1.105 376 L CA 0.755 55.455 54.840 -0.233 0.000 0.775 376 L CB -0.335 41.625 42.059 -0.165 0.000 0.913 376 L HN 0.346 nan 8.230 nan 0.000 0.440 377 N N 0.460 119.075 118.700 -0.141 0.000 2.171 377 N HA -0.098 4.643 4.740 0.000 0.000 0.184 377 N C 1.959 177.401 175.510 -0.114 0.000 1.021 377 N CA 1.405 54.386 53.050 -0.113 0.000 0.854 377 N CB -0.183 38.264 38.487 -0.066 0.000 0.994 377 N HN 0.260 nan 8.380 nan 0.000 0.426 378 A N 1.637 124.388 122.820 -0.115 0.000 1.883 378 A HA -0.103 4.217 4.320 0.000 0.000 0.217 378 A C 2.384 179.888 177.584 -0.133 0.000 1.186 378 A CA 1.092 53.070 52.037 -0.099 0.000 0.624 378 A CB -0.854 18.105 19.000 -0.068 0.000 0.822 378 A HN 0.219 nan 8.150 nan 0.000 0.444 379 L N -0.941 120.148 121.223 -0.222 0.000 2.046 379 L HA -0.183 4.157 4.340 0.000 0.000 0.208 379 L C 2.367 179.153 176.870 -0.141 0.000 1.077 379 L CA 1.741 56.463 54.840 -0.197 0.000 0.747 379 L CB -0.579 41.317 42.059 -0.272 0.000 0.896 379 L HN 0.388 nan 8.230 nan 0.000 0.432 380 D N -0.037 120.272 120.400 -0.151 0.000 2.178 380 D HA -0.121 4.519 4.640 0.000 0.000 0.202 380 D C 2.134 178.381 176.300 -0.088 0.000 0.974 380 D CA 1.067 54.993 54.000 -0.123 0.000 0.841 380 D CB 0.206 40.919 40.800 -0.145 0.000 0.953 380 D HN 0.236 nan 8.370 nan 0.000 0.478 381 A N 0.568 123.340 122.820 -0.080 0.000 2.019 381 A HA -0.176 4.144 4.320 0.000 0.000 0.219 381 A C 2.072 179.628 177.584 -0.047 0.000 1.164 381 A CA 1.046 53.049 52.037 -0.057 0.000 0.644 381 A CB -0.346 18.624 19.000 -0.049 0.000 0.805 381 A HN 0.042 nan 8.150 nan 0.000 0.449 382 K N -0.843 119.526 120.400 -0.051 0.000 2.034 382 K HA -0.137 4.183 4.320 0.000 0.000 0.214 382 K C 1.801 178.380 176.600 -0.035 0.000 1.051 382 K CA 1.843 58.106 56.287 -0.040 0.000 0.931 382 K CB -0.766 31.708 32.500 -0.043 0.000 0.715 382 K HN 0.432 nan 8.250 nan 0.000 0.446 383 V N -1.120 118.771 119.914 -0.039 0.000 3.350 383 V HA 0.218 4.338 4.120 0.000 0.000 0.246 383 V C 1.151 177.225 176.094 -0.035 0.000 1.363 383 V CA 0.910 63.191 62.300 -0.033 0.000 1.162 383 V CB 0.617 32.421 31.823 -0.030 0.000 0.947 383 V HN 0.300 nan 8.190 nan 0.000 0.454 384 G N -0.259 108.514 108.800 -0.044 0.000 2.514 384 G HA2 0.110 4.070 3.960 0.000 0.000 0.245 384 G HA3 0.110 4.070 3.960 0.000 0.000 0.245 384 G C 0.155 175.030 174.900 -0.042 0.000 1.488 384 G CA 0.610 45.683 45.100 -0.045 0.000 1.063 384 G HN 0.371 nan 8.290 nan 0.000 0.557 385 D N -0.217 120.157 120.400 -0.045 0.000 2.363 385 D HA 0.173 4.813 4.640 0.000 0.000 0.214 385 D C 1.651 177.924 176.300 -0.044 0.000 1.093 385 D CA 0.787 54.764 54.000 -0.038 0.000 0.837 385 D CB 0.258 41.040 40.800 -0.030 0.000 0.948 385 D HN 0.732 nan 8.370 nan 0.000 0.507 386 G N 3.014 111.777 108.800 -0.060 0.000 2.305 386 G HA2 -0.276 3.684 3.960 0.000 0.000 0.287 386 G HA3 -0.276 3.684 3.960 0.000 0.000 0.287 386 G C 0.397 175.258 174.900 -0.066 0.000 1.036 386 G CA 0.859 45.919 45.100 -0.067 0.000 0.887 386 G HN 0.407 nan 8.290 nan 0.000 0.505 387 D N -2.805 117.549 120.400 -0.076 0.000 2.502 387 D HA 0.077 4.717 4.640 0.000 0.000 0.232 387 D C 1.673 177.914 176.300 -0.099 0.000 1.137 387 D CA 0.806 54.767 54.000 -0.065 0.000 0.827 387 D CB -0.770 40.008 40.800 -0.037 0.000 1.141 387 D HN 0.146 nan 8.370 nan 0.000 0.517 388 T N 0.540 114.992 114.554 -0.171 0.000 2.721 388 T HA -0.128 4.222 4.350 0.000 0.000 0.268 388 T C 1.957 176.430 174.700 -0.379 0.000 1.038 388 T CA 2.159 64.058 62.100 -0.335 0.000 1.145 388 T CB -0.702 67.886 68.868 -0.466 0.000 0.858 388 T HN 0.472 nan 8.240 nan 0.000 0.459 389 G N 0.676 109.332 108.800 -0.240 0.000 2.421 389 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 389 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 389 G C 1.899 176.786 174.900 -0.022 0.000 1.171 389 G CA 1.124 46.145 45.100 -0.132 0.000 0.775 389 G HN 0.520 nan 8.290 nan 0.000 0.543 390 S N 0.270 115.958 115.700 -0.019 0.000 2.383 390 S HA -0.096 4.374 4.470 0.000 0.000 0.227 390 S C 2.558 177.196 174.600 0.063 0.000 1.026 390 S CA 1.653 59.866 58.200 0.022 0.000 0.981 390 S CB -0.433 62.771 63.200 0.007 0.000 0.818 390 S HN 0.456 nan 8.310 nan 0.000 0.472 391 T N 2.074 116.671 114.554 0.071 0.000 2.708 391 T HA -0.037 4.313 4.350 0.000 0.000 0.266 391 T C 1.391 176.263 174.700 0.286 0.000 1.037 391 T CA 1.156 63.346 62.100 0.151 0.000 1.146 391 T CB -0.410 68.556 68.868 0.163 0.000 0.865 391 T HN 0.264 nan 8.240 nan 0.000 0.435 392 F N 1.675 121.623 119.950 -0.003 0.000 2.186 392 F HA 0.154 4.681 4.527 0.000 0.000 0.299 392 F C 2.662 178.459 175.800 -0.004 0.000 1.090 392 F CA -0.019 57.980 58.000 -0.002 0.000 1.307 392 F CB -1.326 37.674 39.000 -0.000 0.000 1.019 392 F HN 0.150 nan 8.300 nan 0.000 0.489 393 A N -0.050 122.889 122.820 0.197 0.000 1.933 393 A HA -0.020 4.300 4.320 0.000 0.000 0.218 393 A C 2.486 180.108 177.584 0.063 0.000 1.175 393 A CA 1.671 53.769 52.037 0.102 0.000 0.628 393 A CB -1.210 17.834 19.000 0.074 0.000 0.814 393 A HN 0.274 nan 8.150 nan 0.000 0.444 394 A N -0.035 122.826 122.820 0.068 0.000 1.908 394 A HA 0.093 4.413 4.320 0.000 0.000 0.218 394 A C 2.502 180.094 177.584 0.013 0.000 1.181 394 A CA 2.310 54.370 52.037 0.038 0.000 0.627 394 A CB -1.000 18.027 19.000 0.044 0.000 0.818 394 A HN 1.054 nan 8.150 nan 0.000 0.445 395 A N -0.408 122.418 122.820 0.010 0.000 1.897 395 A HA 0.255 4.575 4.320 0.000 0.000 0.215 395 A C 2.516 180.059 177.584 -0.068 0.000 1.181 395 A CA 1.887 53.897 52.037 -0.044 0.000 0.620 395 A CB -1.038 17.918 19.000 -0.074 0.000 0.821 395 A HN 1.034 nan 8.150 nan 0.000 0.443 396 A N 0.235 123.030 122.820 -0.042 0.000 1.851 396 A HA -0.215 4.105 4.320 0.000 0.000 0.216 396 A C 2.220 179.767 177.584 -0.061 0.000 1.195 396 A CA 1.791 53.797 52.037 -0.053 0.000 0.622 396 A CB -0.557 18.436 19.000 -0.011 0.000 0.831 396 A HN 0.532 nan 8.150 nan 0.000 0.444 397 R N -0.835 119.647 120.500 -0.030 0.000 2.127 397 R HA -0.158 4.182 4.340 0.000 0.000 0.238 397 R C 2.216 178.485 176.300 -0.051 0.000 1.134 397 R CA 1.467 57.550 56.100 -0.029 0.000 0.975 397 R CB -0.230 30.072 30.300 0.003 0.000 0.865 397 R HN 0.647 nan 8.270 nan 0.000 0.447 398 E N 0.950 121.118 120.200 -0.054 0.000 2.077 398 E HA -0.137 4.213 4.350 0.000 0.000 0.193 398 E C 1.601 178.142 176.600 -0.098 0.000 0.989 398 E CA 1.235 57.598 56.400 -0.062 0.000 0.800 398 E CB 0.013 29.678 29.700 -0.058 0.000 0.746 398 E HN 0.149 nan 8.360 nan 0.000 0.452 399 I N 0.516 121.008 120.570 -0.129 0.000 2.617 399 I HA -0.020 4.150 4.170 0.000 0.000 0.256 399 I C 2.214 178.218 176.117 -0.189 0.000 1.167 399 I CA 1.053 62.254 61.300 -0.165 0.000 1.469 399 I CB -1.528 36.354 38.000 -0.197 0.000 1.098 399 I HN 0.158 nan 8.210 nan 0.000 0.436 400 A N 0.341 123.038 122.820 -0.206 0.000 1.873 400 A HA -0.186 4.134 4.320 0.000 0.000 0.215 400 A C 2.619 179.926 177.584 -0.462 0.000 1.186 400 A CA 1.963 53.780 52.037 -0.368 0.000 0.616 400 A CB -0.794 18.044 19.000 -0.270 0.000 0.823 400 A HN 0.382 nan 8.150 nan 0.000 0.442 401 S N -0.197 115.386 115.700 -0.195 0.000 2.351 401 S HA -0.171 4.299 4.470 0.000 0.000 0.220 401 S C 1.979 176.542 174.600 -0.062 0.000 1.035 401 S CA 1.692 59.854 58.200 -0.064 0.000 1.031 401 S CB -0.604 62.588 63.200 -0.013 0.000 0.928 401 S HN 0.470 nan 8.310 nan 0.000 0.433 402 L N 0.817 121.995 121.223 -0.076 0.000 2.051 402 L HA -0.167 4.173 4.340 0.000 0.000 0.214 402 L C 2.574 179.411 176.870 -0.055 0.000 1.076 402 L CA 1.430 56.240 54.840 -0.050 0.000 0.758 402 L CB -0.624 41.386 42.059 -0.082 0.000 0.890 402 L HN 0.400 nan 8.230 nan 0.000 0.433 403 L N -0.558 120.587 121.223 -0.130 0.000 1.994 403 L HA -0.253 4.087 4.340 0.000 0.000 0.208 403 L C 2.399 179.260 176.870 -0.015 0.000 1.071 403 L CA 1.922 56.695 54.840 -0.113 0.000 0.745 403 L CB -0.653 41.281 42.059 -0.210 0.000 0.892 403 L HN 0.236 nan 8.230 nan 0.000 0.431 404 H N -1.061 118.007 119.070 -0.003 0.000 2.489 404 H HA -0.010 4.546 4.556 0.000 0.000 0.293 404 H C 1.194 176.526 175.328 0.007 0.000 1.066 404 H CA 0.655 56.704 56.048 0.001 0.000 1.305 404 H CB 0.058 29.820 29.762 -0.001 0.000 1.386 404 H HN 0.310 nan 8.280 nan 0.000 0.551 405 R N 0.883 121.452 120.500 0.115 0.000 2.480 405 R HA 0.007 4.347 4.340 0.000 0.000 0.277 405 R C -0.076 176.262 176.300 0.064 0.000 1.008 405 R CA -0.074 56.072 56.100 0.077 0.000 1.090 405 R CB 0.465 30.802 30.300 0.062 0.000 1.234 405 R HN 0.246 nan 8.270 nan 0.000 0.549 406 Q N 0.265 120.104 119.800 0.064 0.000 2.435 406 Q HA -0.231 4.109 4.340 0.000 0.000 0.286 406 Q C 0.445 176.487 176.000 0.070 0.000 1.229 406 Q CA 0.757 56.594 55.803 0.057 0.000 0.884 406 Q CB -0.968 27.799 28.738 0.049 0.000 1.245 406 Q HN 0.266 nan 8.270 nan 0.000 0.488 407 Q N -0.799 119.047 119.800 0.076 0.000 2.282 407 Q HA 0.227 4.567 4.340 0.000 0.000 0.206 407 Q C 0.183 176.279 176.000 0.160 0.000 0.878 407 Q CA 0.295 56.181 55.803 0.138 0.000 0.944 407 Q CB 0.679 29.496 28.738 0.130 0.000 1.100 407 Q HN 0.511 nan 8.270 nan 0.000 0.509 408 L N 3.205 124.458 121.223 0.050 0.000 2.334 408 L HA 0.256 4.596 4.340 0.000 0.000 0.277 408 L C -1.750 175.139 176.870 0.031 0.000 1.075 408 L CA -1.679 53.143 54.840 -0.031 0.000 0.804 408 L CB 1.026 43.042 42.059 -0.070 0.000 1.174 408 L HN -0.182 nan 8.230 nan 0.000 0.438 409 P HA 0.084 nan 4.420 nan 0.000 0.220 409 P C 1.014 178.320 177.300 0.010 0.000 1.778 409 P CA -0.098 63.044 63.100 0.070 0.000 0.912 409 P CB 0.051 31.808 31.700 0.095 0.000 1.861 410 L N -0.324 120.902 121.223 0.004 0.000 2.211 410 L HA -0.225 4.115 4.340 0.000 0.000 0.216 410 L C 1.987 178.849 176.870 -0.012 0.000 1.092 410 L CA 1.445 56.280 54.840 -0.007 0.000 0.767 410 L CB -1.024 41.036 42.059 0.002 0.000 0.894 410 L HN 0.178 nan 8.230 nan 0.000 0.437 411 N N 0.091 118.789 118.700 -0.003 0.000 2.398 411 N HA -0.047 4.693 4.740 0.000 0.000 0.188 411 N C 0.083 175.578 175.510 -0.026 0.000 1.122 411 N CA 0.178 53.221 53.050 -0.011 0.000 0.866 411 N CB 0.111 38.598 38.487 0.001 0.000 0.970 411 N HN 0.318 nan 8.380 nan 0.000 0.462 412 N N 0.019 118.697 118.700 -0.036 0.000 2.607 412 N HA 0.127 4.867 4.740 0.000 0.000 0.271 412 N C 0.433 175.877 175.510 -0.110 0.000 1.142 412 N CA -0.189 52.826 53.050 -0.058 0.000 0.810 412 N CB 0.549 39.022 38.487 -0.023 0.000 1.306 412 N HN -0.056 nan 8.380 nan 0.000 0.536 413 L N 2.144 123.252 121.223 -0.190 0.000 2.013 413 L HA -0.228 4.112 4.340 0.000 0.000 0.212 413 L C 2.595 179.210 176.870 -0.426 0.000 1.073 413 L CA 1.984 56.588 54.840 -0.394 0.000 0.753 413 L CB -0.532 41.199 42.059 -0.547 0.000 0.890 413 L HN 0.648 nan 8.230 nan 0.000 0.432 414 A N -0.290 122.367 122.820 -0.273 0.000 1.869 414 A HA -0.282 4.038 4.320 0.000 0.000 0.218 414 A C 2.313 179.871 177.584 -0.043 0.000 1.203 414 A CA 2.814 54.765 52.037 -0.144 0.000 0.638 414 A CB -1.157 17.796 19.000 -0.079 0.000 0.831 414 A HN 0.447 nan 8.150 nan 0.000 0.450 415 T N -0.243 114.291 114.554 -0.033 0.000 2.867 415 T HA -0.084 4.266 4.350 0.000 0.000 0.268 415 T C 1.814 176.503 174.700 -0.019 0.000 1.057 415 T CA 1.318 63.422 62.100 0.007 0.000 1.136 415 T CB -0.333 68.559 68.868 0.039 0.000 0.874 415 T HN 0.326 nan 8.240 nan 0.000 0.466 416 L N 0.613 121.813 121.223 -0.038 0.000 1.994 416 L HA 0.061 4.401 4.340 0.000 0.000 0.208 416 L C 2.049 178.993 176.870 0.123 0.000 1.071 416 L CA 1.691 56.517 54.840 -0.022 0.000 0.745 416 L CB -0.833 41.221 42.059 -0.009 0.000 0.892 416 L HN 0.296 nan 8.230 nan 0.000 0.431 417 F N -0.453 119.477 119.950 -0.033 0.000 2.102 417 F HA -0.275 4.252 4.527 0.000 0.000 0.298 417 F C 2.529 178.332 175.800 0.005 0.000 1.105 417 F CA 0.539 58.564 58.000 0.043 0.000 1.239 417 F CB -0.535 38.550 39.000 0.142 0.000 0.991 417 F HN 0.279 nan 8.300 nan 0.000 0.474 418 A N 0.105 123.045 122.820 0.200 0.000 1.948 418 A HA -0.243 4.077 4.320 0.000 0.000 0.220 418 A C 1.967 179.561 177.584 0.017 0.000 1.177 418 A CA 1.640 53.737 52.037 0.100 0.000 0.636 418 A CB -0.928 18.116 19.000 0.074 0.000 0.815 418 A HN 0.391 nan 8.150 nan 0.000 0.449 419 L N -0.280 120.907 121.223 -0.061 0.000 2.072 419 L HA -0.021 4.319 4.340 0.000 0.000 0.205 419 L C 2.200 178.962 176.870 -0.179 0.000 1.079 419 L CA 1.582 56.313 54.840 -0.182 0.000 0.752 419 L CB -0.400 41.412 42.059 -0.412 0.000 0.906 419 L HN 0.426 nan 8.230 nan 0.000 0.436 420 I N -0.483 119.963 120.570 -0.207 0.000 2.179 420 I HA -0.206 3.964 4.170 0.000 0.000 0.242 420 I C 2.483 178.466 176.117 -0.223 0.000 1.088 420 I CA 1.295 62.397 61.300 -0.331 0.000 1.357 420 I CB -1.142 36.441 38.000 -0.695 0.000 1.051 420 I HN 0.410 nan 8.210 nan 0.000 0.409 421 G N 0.097 108.847 108.800 -0.084 0.000 2.469 421 G HA2 -0.302 3.658 3.960 0.000 0.000 0.220 421 G HA3 -0.302 3.658 3.960 0.000 0.000 0.220 421 G C 1.578 176.490 174.900 0.021 0.000 1.136 421 G CA 0.928 46.062 45.100 0.057 0.000 0.759 421 G HN 0.469 nan 8.290 nan 0.000 0.562 422 E N -0.038 120.156 120.200 -0.010 0.000 2.112 422 E HA -0.037 4.313 4.350 0.000 0.000 0.190 422 E C 2.606 179.194 176.600 -0.020 0.000 0.979 422 E CA 0.188 56.586 56.400 -0.003 0.000 0.814 422 E CB 0.011 29.712 29.700 0.001 0.000 0.762 422 E HN 0.273 nan 8.360 nan 0.000 0.460 423 R N 0.217 120.682 120.500 -0.058 0.000 2.161 423 R HA 0.031 4.371 4.340 0.000 0.000 0.213 423 R C 2.525 178.792 176.300 -0.055 0.000 1.055 423 R CA 0.245 56.309 56.100 -0.060 0.000 0.996 423 R CB -0.211 30.032 30.300 -0.094 0.000 0.901 423 R HN 0.286 nan 8.270 nan 0.000 0.456 424 L N 0.818 122.001 121.223 -0.066 0.000 1.989 424 L HA -0.204 4.136 4.340 0.000 0.000 0.211 424 L C 2.638 179.500 176.870 -0.013 0.000 1.071 424 L CA 2.206 57.017 54.840 -0.049 0.000 0.749 424 L CB -1.292 40.741 42.059 -0.043 0.000 0.890 424 L HN 0.291 nan 8.230 nan 0.000 0.431 425 T N -2.900 111.656 114.554 0.005 0.000 2.849 425 T HA -0.129 4.221 4.350 0.000 0.000 0.270 425 T C 1.750 176.456 174.700 0.009 0.000 1.066 425 T CA 1.193 63.302 62.100 0.014 0.000 1.130 425 T CB -0.732 68.147 68.868 0.018 0.000 0.864 425 T HN 0.123 nan 8.240 nan 0.000 0.481 426 V N 0.800 120.716 119.914 0.002 0.000 2.548 426 V HA -0.040 4.080 4.120 0.000 0.000 0.249 426 V C 2.681 178.777 176.094 0.004 0.000 1.055 426 V CA 1.145 63.447 62.300 0.003 0.000 1.065 426 V CB -0.301 31.523 31.823 0.001 0.000 0.681 426 V HN 0.443 nan 8.190 nan 0.000 0.462 427 V N -1.841 118.073 119.914 -0.001 0.000 3.431 427 V HA 0.206 4.327 4.120 0.000 0.000 0.253 427 V C 0.866 176.969 176.094 0.015 0.000 1.184 427 V CA 0.562 62.864 62.300 0.003 0.000 1.104 427 V CB 0.126 31.944 31.823 -0.008 0.000 0.799 427 V HN 0.363 nan 8.190 nan 0.000 0.462 428 M N 0.983 120.594 119.600 0.019 0.000 2.088 428 M HA 0.490 4.970 4.480 0.000 0.000 0.346 428 M C 0.578 176.902 176.300 0.041 0.000 1.111 428 M CA -0.070 55.254 55.300 0.041 0.000 1.017 428 M CB 1.231 33.858 32.600 0.045 0.000 1.568 428 M HN 0.320 nan 8.290 nan 0.000 0.445 429 G N 2.034 110.860 108.800 0.042 0.000 2.562 429 G HA2 0.642 4.602 3.960 0.000 0.000 0.275 429 G HA3 0.642 4.602 3.960 0.000 0.000 0.275 429 G C 0.124 175.050 174.900 0.042 0.000 1.196 429 G CA 0.194 45.314 45.100 0.034 0.000 0.908 429 G HN 0.993 nan 8.290 nan 0.000 0.524 430 G N -0.690 108.130 108.800 0.033 0.000 2.877 430 G HA2 0.027 3.987 3.960 0.000 0.000 0.279 430 G HA3 0.027 3.987 3.960 0.000 0.000 0.279 430 G C 1.373 176.300 174.900 0.045 0.000 1.431 430 G CA 0.713 45.834 45.100 0.035 0.000 0.883 430 G HN 1.933 nan 8.290 nan 0.000 0.547 431 S N -0.900 114.826 115.700 0.044 0.000 2.402 431 S HA -0.158 4.312 4.470 0.000 0.000 0.233 431 S C 2.425 177.069 174.600 0.074 0.000 1.030 431 S CA 2.369 60.599 58.200 0.051 0.000 1.003 431 S CB -0.416 62.810 63.200 0.044 0.000 0.813 431 S HN 1.294 nan 8.310 nan 0.000 0.477 432 S N 1.921 117.683 115.700 0.102 0.000 2.356 432 S HA 0.026 4.496 4.470 0.000 0.000 0.223 432 S C 2.197 176.855 174.600 0.097 0.000 1.032 432 S CA 1.194 59.488 58.200 0.157 0.000 1.005 432 S CB -1.226 62.153 63.200 0.299 0.000 0.867 432 S HN 0.781 nan 8.310 nan 0.000 0.449 433 G N 1.206 110.056 108.800 0.082 0.000 2.421 433 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 433 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 433 G C 1.471 176.402 174.900 0.051 0.000 1.171 433 G CA 1.098 46.229 45.100 0.051 0.000 0.775 433 G HN 0.423 nan 8.290 nan 0.000 0.543 434 V N 0.900 120.845 119.914 0.052 0.000 2.295 434 V HA -0.129 3.991 4.120 0.000 0.000 0.246 434 V C 2.928 179.069 176.094 0.078 0.000 1.049 434 V CA 1.502 63.833 62.300 0.052 0.000 1.024 434 V CB -0.480 31.365 31.823 0.036 0.000 0.648 434 V HN 0.332 nan 8.190 nan 0.000 0.447 435 L N -1.168 120.105 121.223 0.083 0.000 2.017 435 L HA -0.208 4.132 4.340 0.000 0.000 0.208 435 L C 2.649 179.585 176.870 0.111 0.000 1.073 435 L CA 1.401 56.302 54.840 0.102 0.000 0.745 435 L CB -0.528 41.579 42.059 0.079 0.000 0.894 435 L HN 0.279 nan 8.230 nan 0.000 0.432 436 M N -0.851 118.792 119.600 0.071 0.000 2.159 436 M HA -0.166 4.314 4.480 0.000 0.000 0.263 436 M C 2.515 178.979 176.300 0.272 0.000 1.063 436 M CA 1.499 56.865 55.300 0.111 0.000 1.110 436 M CB -1.253 31.365 32.600 0.030 0.000 1.374 436 M HN 0.131 nan 8.290 nan 0.000 0.411 437 S N 0.668 116.476 115.700 0.180 0.000 2.383 437 S HA -0.016 4.454 4.470 0.000 0.000 0.227 437 S C 1.999 176.709 174.600 0.184 0.000 1.026 437 S CA 0.889 59.193 58.200 0.173 0.000 0.981 437 S CB -0.206 63.049 63.200 0.091 0.000 0.818 437 S HN 0.394 nan 8.310 nan 0.000 0.472 438 I N 0.453 121.125 120.570 0.170 0.000 2.163 438 I HA -0.216 3.954 4.170 0.000 0.000 0.243 438 I C 2.106 178.331 176.117 0.180 0.000 1.085 438 I CA 1.349 62.759 61.300 0.184 0.000 1.347 438 I CB -0.388 37.755 38.000 0.238 0.000 1.044 438 I HN 0.237 nan 8.210 nan 0.000 0.408 439 F N 1.632 121.584 119.950 0.003 0.000 2.025 439 F HA -0.322 4.205 4.527 0.000 0.000 0.297 439 F C 2.214 177.892 175.800 -0.204 0.000 1.132 439 F CA 1.924 59.834 58.000 -0.151 0.000 1.191 439 F CB -0.703 38.107 39.000 -0.316 0.000 0.963 439 F HN -0.111 nan 8.300 nan 0.000 0.481 440 F N 0.079 120.022 119.950 -0.013 0.000 2.171 440 F HA -0.189 4.338 4.527 0.000 0.000 0.300 440 F C 2.497 178.246 175.800 -0.084 0.000 1.090 440 F CA 1.731 59.616 58.000 -0.192 0.000 1.293 440 F CB -1.172 37.749 39.000 -0.132 0.000 1.013 440 F HN -0.064 nan 8.300 nan 0.000 0.486 441 T N -0.158 114.490 114.554 0.156 0.000 2.674 441 T HA -0.219 4.131 4.350 0.000 0.000 0.265 441 T C 2.280 177.020 174.700 0.068 0.000 1.039 441 T CA 1.428 63.596 62.100 0.113 0.000 1.150 441 T CB -0.659 68.268 68.868 0.099 0.000 0.864 441 T HN 0.311 nan 8.240 nan 0.000 0.427 442 A N 1.205 124.039 122.820 0.022 0.000 1.969 442 A HA 0.232 4.552 4.320 0.000 0.000 0.218 442 A C 2.592 180.143 177.584 -0.055 0.000 1.169 442 A CA 1.715 53.745 52.037 -0.012 0.000 0.635 442 A CB -0.958 18.029 19.000 -0.022 0.000 0.810 442 A HN 0.504 nan 8.150 nan 0.000 0.445 443 A N -0.377 122.362 122.820 -0.134 0.000 1.873 443 A HA 0.171 4.491 4.320 0.000 0.000 0.215 443 A C 2.424 180.111 177.584 0.172 0.000 1.186 443 A CA 1.763 53.751 52.037 -0.082 0.000 0.616 443 A CB -1.419 17.389 19.000 -0.322 0.000 0.823 443 A HN 0.729 nan 8.150 nan 0.000 0.442 444 G N -1.295 107.666 108.800 0.267 0.000 2.450 444 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 444 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 444 G C 1.581 176.535 174.900 0.090 0.000 1.130 444 G CA 1.035 46.281 45.100 0.243 0.000 0.760 444 G HN 0.441 nan 8.290 nan 0.000 0.557 445 Q N -0.169 119.670 119.800 0.064 0.000 2.187 445 Q HA 0.030 4.370 4.340 0.000 0.000 0.199 445 Q C 2.469 178.475 176.000 0.010 0.000 0.957 445 Q CA 0.988 56.809 55.803 0.030 0.000 0.857 445 Q CB -0.060 28.694 28.738 0.026 0.000 0.929 445 Q HN 0.399 nan 8.270 nan 0.000 0.453 446 K N 0.858 121.261 120.400 0.006 0.000 2.097 446 K HA -0.013 4.307 4.320 0.000 0.000 0.205 446 K C 1.992 178.585 176.600 -0.012 0.000 1.050 446 K CA 0.759 57.041 56.287 -0.009 0.000 0.938 446 K CB -0.305 32.183 32.500 -0.020 0.000 0.718 446 K HN 0.118 nan 8.250 nan 0.000 0.442 447 L N 0.261 121.477 121.223 -0.013 0.000 2.093 447 L HA -0.129 4.211 4.340 0.000 0.000 0.208 447 L C 2.219 179.065 176.870 -0.041 0.000 1.085 447 L CA 1.307 56.119 54.840 -0.048 0.000 0.755 447 L CB -0.386 41.603 42.059 -0.115 0.000 0.904 447 L HN 0.212 nan 8.230 nan 0.000 0.435 448 E N 0.432 120.617 120.200 -0.024 0.000 2.209 448 E HA -0.239 4.111 4.350 0.000 0.000 0.196 448 E C 1.905 178.496 176.600 -0.015 0.000 0.993 448 E CA 1.190 57.580 56.400 -0.017 0.000 0.819 448 E CB -0.005 29.694 29.700 -0.002 0.000 0.745 448 E HN 0.442 nan 8.360 nan 0.000 0.477 449 Q N -1.185 118.606 119.800 -0.014 0.000 2.415 449 Q HA 0.161 4.501 4.340 0.000 0.000 0.206 449 Q C 0.495 176.485 176.000 -0.016 0.000 0.946 449 Q CA 0.382 56.177 55.803 -0.013 0.000 0.951 449 Q CB 0.446 29.176 28.738 -0.013 0.000 1.026 449 Q HN 0.357 nan 8.270 nan 0.000 0.510 450 G N 0.638 109.425 108.800 -0.022 0.000 2.225 450 G HA2 -0.235 3.725 3.960 0.000 0.000 0.264 450 G HA3 -0.235 3.725 3.960 0.000 0.000 0.264 450 G C -0.034 174.853 174.900 -0.022 0.000 1.060 450 G CA 0.090 45.176 45.100 -0.023 0.000 0.833 450 G HN 0.479 nan 8.290 nan 0.000 0.498 451 A N -0.401 122.405 122.820 -0.023 0.000 2.269 451 A HA 0.829 5.149 4.320 0.000 0.000 0.319 451 A C 0.476 178.048 177.584 -0.020 0.000 1.110 451 A CA 0.101 52.128 52.037 -0.017 0.000 0.847 451 A CB 0.582 19.574 19.000 -0.014 0.000 1.161 451 A HN 1.483 nan 8.150 nan 0.000 0.497 452 N N -0.466 118.229 118.700 -0.009 0.000 2.424 452 N HA 0.246 4.986 4.740 0.000 0.000 0.257 452 N C 0.676 176.190 175.510 0.007 0.000 1.250 452 N CA -0.051 52.996 53.050 -0.005 0.000 0.946 452 N CB 0.456 38.947 38.487 0.006 0.000 1.175 452 N HN 0.180 nan 8.380 nan 0.000 0.477 453 V N 0.311 120.233 119.914 0.014 0.000 2.252 453 V HA -0.276 3.844 4.120 0.000 0.000 0.249 453 V C 2.221 178.374 176.094 0.097 0.000 1.056 453 V CA 1.850 64.185 62.300 0.059 0.000 1.022 453 V CB -0.837 31.032 31.823 0.078 0.000 0.641 453 V HN 0.638 nan 8.190 nan 0.000 0.445 454 V N -0.430 119.534 119.914 0.083 0.000 2.392 454 V HA -0.295 3.825 4.120 0.000 0.000 0.249 454 V C 2.446 178.574 176.094 0.056 0.000 1.059 454 V CA 2.215 64.567 62.300 0.087 0.000 1.051 454 V CB -0.633 31.236 31.823 0.077 0.000 0.658 454 V HN 0.595 nan 8.190 nan 0.000 0.455 455 E N -0.125 120.096 120.200 0.034 0.000 2.072 455 E HA -0.170 4.180 4.350 0.000 0.000 0.191 455 E C 2.333 178.932 176.600 -0.001 0.000 0.985 455 E CA 1.275 57.683 56.400 0.013 0.000 0.801 455 E CB -0.311 29.391 29.700 0.004 0.000 0.750 455 E HN 0.595 nan 8.360 nan 0.000 0.452 456 A N 0.752 123.577 122.820 0.009 0.000 1.902 456 A HA -0.162 4.158 4.320 0.000 0.000 0.217 456 A C 2.139 179.672 177.584 -0.085 0.000 1.181 456 A CA 1.021 53.053 52.037 -0.007 0.000 0.623 456 A CB -0.638 18.396 19.000 0.056 0.000 0.818 456 A HN 0.191 nan 8.150 nan 0.000 0.443 457 L N -0.314 120.884 121.223 -0.042 0.000 2.083 457 L HA -0.194 4.146 4.340 0.000 0.000 0.209 457 L C 2.403 179.215 176.870 -0.096 0.000 1.083 457 L CA 1.171 55.925 54.840 -0.143 0.000 0.752 457 L CB -0.564 41.552 42.059 0.095 0.000 0.899 457 L HN 0.451 nan 8.230 nan 0.000 0.433 458 N N -0.694 117.998 118.700 -0.014 0.000 2.216 458 N HA -0.120 4.620 4.740 0.000 0.000 0.183 458 N C 1.752 177.245 175.510 -0.028 0.000 1.017 458 N CA 1.602 54.659 53.050 0.013 0.000 0.861 458 N CB 0.078 38.574 38.487 0.016 0.000 0.986 458 N HN 0.269 nan 8.380 nan 0.000 0.428 459 T N -0.149 114.361 114.554 -0.073 0.000 2.821 459 T HA -0.054 4.296 4.350 0.000 0.000 0.267 459 T C 1.811 176.436 174.700 -0.125 0.000 1.046 459 T CA 1.234 63.284 62.100 -0.083 0.000 1.139 459 T CB -0.497 68.324 68.868 -0.080 0.000 0.871 459 T HN 0.345 nan 8.240 nan 0.000 0.454 460 G N 1.571 110.200 108.800 -0.285 0.000 2.440 460 G HA2 -0.174 3.786 3.960 0.000 0.000 0.218 460 G HA3 -0.174 3.786 3.960 0.000 0.000 0.218 460 G C 1.517 176.409 174.900 -0.013 0.000 1.154 460 G CA 0.859 45.673 45.100 -0.476 0.000 0.767 460 G HN 0.418 nan 8.290 nan 0.000 0.552 461 L N 1.428 122.740 121.223 0.148 0.000 2.017 461 L HA 0.136 4.476 4.340 0.000 0.000 0.208 461 L C 3.092 180.029 176.870 0.113 0.000 1.073 461 L CA 2.247 57.240 54.840 0.256 0.000 0.745 461 L CB -0.843 41.338 42.059 0.203 0.000 0.894 461 L HN 0.240 nan 8.230 nan 0.000 0.432 462 A N -1.169 121.679 122.820 0.046 0.000 1.908 462 A HA -0.241 4.079 4.320 0.000 0.000 0.218 462 A C 2.163 179.746 177.584 -0.001 0.000 1.181 462 A CA 1.804 53.849 52.037 0.013 0.000 0.627 462 A CB -0.558 18.429 19.000 -0.022 0.000 0.818 462 A HN 0.619 nan 8.150 nan 0.000 0.445 463 Q N -1.277 118.512 119.800 -0.020 0.000 2.123 463 Q HA -0.080 4.260 4.340 0.000 0.000 0.199 463 Q C 2.095 178.111 176.000 0.027 0.000 0.966 463 Q CA 1.507 57.267 55.803 -0.072 0.000 0.845 463 Q CB -0.463 28.271 28.738 -0.006 0.000 0.907 463 Q HN 0.818 nan 8.270 nan 0.000 0.439 464 M N 0.620 120.298 119.600 0.129 0.000 2.159 464 M HA -0.192 4.288 4.480 0.000 0.000 0.263 464 M C 1.652 178.018 176.300 0.110 0.000 1.063 464 M CA 1.561 56.964 55.300 0.171 0.000 1.110 464 M CB 0.127 32.837 32.600 0.184 0.000 1.374 464 M HN -0.007 nan 8.290 nan 0.000 0.411 465 K N -0.767 119.676 120.400 0.071 0.000 2.062 465 K HA -0.131 4.189 4.320 0.000 0.000 0.205 465 K C 1.767 178.373 176.600 0.010 0.000 1.051 465 K CA 1.477 57.787 56.287 0.040 0.000 0.941 465 K CB -0.388 32.133 32.500 0.036 0.000 0.719 465 K HN 0.291 nan 8.250 nan 0.000 0.440 466 F N 0.857 120.711 119.950 -0.161 0.000 2.069 466 F HA -0.254 4.273 4.527 0.000 0.000 0.298 466 F C 1.799 177.502 175.800 -0.162 0.000 1.113 466 F CA 1.585 59.440 58.000 -0.240 0.000 1.214 466 F CB -0.271 38.448 39.000 -0.469 0.000 0.978 466 F HN 0.008 nan 8.300 nan 0.000 0.474 467 Y N -0.710 119.646 120.300 0.093 0.000 2.243 467 Y HA 0.046 4.596 4.550 0.000 0.000 0.293 467 Y C 2.709 178.581 175.900 -0.046 0.000 1.124 467 Y CA 0.428 58.531 58.100 0.006 0.000 1.159 467 Y CB -1.057 37.480 38.460 0.128 0.000 1.008 467 Y HN 0.097 nan 8.280 nan 0.000 0.527 468 G N -0.618 108.268 108.800 0.143 0.000 2.443 468 G HA2 0.063 4.023 3.960 0.000 0.000 0.219 468 G HA3 0.063 4.023 3.960 0.000 0.000 0.219 468 G C 1.696 176.600 174.900 0.008 0.000 1.131 468 G CA 0.823 45.967 45.100 0.073 0.000 0.775 468 G HN 0.601 nan 8.290 nan 0.000 0.547 469 G N -0.937 107.839 108.800 -0.040 0.000 2.212 469 G HA2 0.042 4.002 3.960 0.000 0.000 0.266 469 G HA3 0.042 4.002 3.960 0.000 0.000 0.266 469 G C 0.609 175.486 174.900 -0.039 0.000 0.978 469 G CA 0.761 45.819 45.100 -0.070 0.000 0.632 469 G HN 1.468 nan 8.290 nan 0.000 0.537 470 A N -0.351 122.460 122.820 -0.015 0.000 2.322 470 A HA 0.639 4.959 4.320 0.000 0.000 0.269 470 A C 0.118 177.697 177.584 -0.009 0.000 1.094 470 A CA 0.312 52.343 52.037 -0.009 0.000 0.807 470 A CB 0.630 19.631 19.000 0.002 0.000 1.047 470 A HN 0.267 nan 8.150 nan 0.000 0.487 471 D N -0.380 120.015 120.400 -0.010 0.000 2.531 471 D HA 0.274 4.914 4.640 0.000 0.000 0.244 471 D C -0.786 175.508 176.300 -0.009 0.000 1.090 471 D CA -0.416 53.579 54.000 -0.009 0.000 0.989 471 D CB 1.444 42.237 40.800 -0.012 0.000 1.433 471 D HN 0.652 nan 8.370 nan 0.000 0.492 472 E N -0.472 119.722 120.200 -0.010 0.000 2.417 472 E HA 0.331 4.681 4.350 0.000 0.000 0.261 472 E C 0.598 177.189 176.600 -0.015 0.000 1.000 472 E CA 0.572 56.964 56.400 -0.014 0.000 0.919 472 E CB 0.407 30.097 29.700 -0.017 0.000 0.955 472 E HN 0.693 nan 8.360 nan 0.000 0.455 473 G N 4.177 112.968 108.800 -0.015 0.000 2.231 473 G HA2 -0.192 3.768 3.960 0.000 0.000 0.206 473 G HA3 -0.192 3.768 3.960 0.000 0.000 0.206 473 G C 0.485 175.377 174.900 -0.014 0.000 0.996 473 G CA 0.018 45.109 45.100 -0.015 0.000 0.645 473 G HN 0.616 nan 8.290 nan 0.000 0.498 474 D N 1.018 121.411 120.400 -0.012 0.000 2.340 474 D HA 0.181 4.821 4.640 0.000 0.000 0.220 474 D C 1.391 177.684 176.300 -0.011 0.000 1.039 474 D CA 0.280 54.273 54.000 -0.011 0.000 0.866 474 D CB -0.090 40.704 40.800 -0.010 0.000 0.913 474 D HN 0.629 nan 8.370 nan 0.000 0.523 475 R N -0.158 120.336 120.500 -0.011 0.000 3.407 475 R HA -0.117 4.223 4.340 0.000 0.000 0.277 475 R C 0.071 176.366 176.300 -0.008 0.000 1.119 475 R CA 0.793 56.886 56.100 -0.011 0.000 0.750 475 R CB -2.906 27.385 30.300 -0.014 0.000 1.258 475 R HN 0.351 nan 8.270 nan 0.000 0.432 476 T N -3.562 110.991 114.554 -0.001 0.000 2.888 476 T HA 0.562 4.912 4.350 0.000 0.000 0.288 476 T C 1.551 176.261 174.700 0.015 0.000 1.063 476 T CA -0.559 61.547 62.100 0.009 0.000 1.010 476 T CB 1.539 70.415 68.868 0.014 0.000 1.214 476 T HN 0.242 nan 8.240 nan 0.000 0.533 477 M N 0.510 120.131 119.600 0.036 0.000 2.331 477 M HA -0.065 4.415 4.480 0.000 0.000 0.260 477 M C 1.403 177.704 176.300 0.002 0.000 1.072 477 M CA 1.610 56.933 55.300 0.038 0.000 1.065 477 M CB -0.995 31.642 32.600 0.063 0.000 1.392 477 M HN 0.469 nan 8.290 nan 0.000 0.427 478 I N 2.173 122.739 120.570 -0.007 0.000 2.248 478 I HA -0.285 3.885 4.170 0.000 0.000 0.248 478 I C 1.829 177.936 176.117 -0.017 0.000 1.107 478 I CA 1.719 63.010 61.300 -0.014 0.000 1.373 478 I CB -1.658 36.339 38.000 -0.005 0.000 1.055 478 I HN 0.444 nan 8.210 nan 0.000 0.418 479 D N 0.842 121.234 120.400 -0.014 0.000 2.265 479 D HA -0.127 4.513 4.640 0.000 0.000 0.208 479 D C 1.988 178.267 176.300 -0.034 0.000 0.977 479 D CA 1.487 55.474 54.000 -0.022 0.000 0.871 479 D CB 0.283 41.073 40.800 -0.017 0.000 0.925 479 D HN 0.436 nan 8.370 nan 0.000 0.485 480 A N 0.122 122.925 122.820 -0.028 0.000 2.055 480 A HA 0.139 4.459 4.320 0.000 0.000 0.205 480 A C 2.083 179.619 177.584 -0.080 0.000 1.235 480 A CA -0.275 51.736 52.037 -0.044 0.000 0.822 480 A CB -0.192 18.812 19.000 0.006 0.000 0.903 480 A HN 0.090 nan 8.150 nan 0.000 0.473 481 L N -0.284 120.912 121.223 -0.045 0.000 1.994 481 L HA -0.231 4.109 4.340 0.000 0.000 0.208 481 L C 2.780 179.610 176.870 -0.067 0.000 1.071 481 L CA 2.406 57.219 54.840 -0.046 0.000 0.745 481 L CB -0.429 41.607 42.059 -0.038 0.000 0.892 481 L HN 0.634 nan 8.230 nan 0.000 0.431 482 Q N -0.094 119.680 119.800 -0.043 0.000 2.045 482 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 482 Q C -0.613 175.346 176.000 -0.068 0.000 0.991 482 Q CA 2.482 58.265 55.803 -0.034 0.000 0.851 482 Q CB -0.772 27.953 28.738 -0.022 0.000 0.911 482 Q HN 0.296 nan 8.270 nan 0.000 0.418 483 P HA -0.206 nan 4.420 nan 0.000 0.215 483 P C 0.691 177.894 177.300 -0.161 0.000 1.157 483 P CA 2.188 65.221 63.100 -0.112 0.000 0.874 483 P CB -0.229 31.400 31.700 -0.119 0.000 0.790 484 A N -0.681 121.980 122.820 -0.264 0.000 1.877 484 A HA -0.163 4.157 4.320 0.000 0.000 0.216 484 A C 2.220 179.647 177.584 -0.262 0.000 1.186 484 A CA 1.484 53.252 52.037 -0.450 0.000 0.620 484 A CB -1.657 16.710 19.000 -1.055 0.000 0.822 484 A HN 0.109 nan 8.150 nan 0.000 0.443 485 L N -0.744 120.398 121.223 -0.135 0.000 2.201 485 L HA -0.124 4.216 4.340 0.000 0.000 0.212 485 L C 2.623 179.487 176.870 -0.010 0.000 1.105 485 L CA 1.569 56.405 54.840 -0.006 0.000 0.775 485 L CB -0.746 41.346 42.059 0.055 0.000 0.913 485 L HN 0.360 nan 8.230 nan 0.000 0.440 486 T N -1.508 113.023 114.554 -0.038 0.000 2.851 486 T HA -0.151 4.199 4.350 0.000 0.000 0.262 486 T C 2.148 176.831 174.700 -0.028 0.000 1.043 486 T CA 1.466 63.550 62.100 -0.026 0.000 1.140 486 T CB 0.021 68.869 68.868 -0.033 0.000 0.872 486 T HN 0.247 nan 8.240 nan 0.000 0.446 487 S N 1.043 116.711 115.700 -0.053 0.000 2.359 487 S HA -0.053 4.417 4.470 0.000 0.000 0.224 487 S C 2.013 176.608 174.600 -0.009 0.000 1.035 487 S CA 1.072 59.247 58.200 -0.041 0.000 1.018 487 S CB -0.540 62.617 63.200 -0.072 0.000 0.876 487 S HN 0.424 nan 8.310 nan 0.000 0.448 488 L N 0.637 121.862 121.223 0.004 0.000 2.191 488 L HA -0.047 4.293 4.340 0.000 0.000 0.212 488 L C 2.362 179.256 176.870 0.040 0.000 1.103 488 L CA 0.526 55.394 54.840 0.047 0.000 0.769 488 L CB -0.422 41.695 42.059 0.096 0.000 0.908 488 L HN 0.330 nan 8.230 nan 0.000 0.438 489 L N -0.289 120.950 121.223 0.026 0.000 2.275 489 L HA -0.108 4.232 4.340 0.000 0.000 0.215 489 L C 2.366 179.245 176.870 0.015 0.000 1.119 489 L CA 1.777 56.630 54.840 0.021 0.000 0.790 489 L CB -0.513 41.554 42.059 0.014 0.000 0.919 489 L HN 0.159 nan 8.230 nan 0.000 0.443 490 A N -2.018 120.809 122.820 0.011 0.000 1.973 490 A HA 0.109 4.429 4.320 0.000 0.000 0.210 490 A C 1.189 178.781 177.584 0.014 0.000 1.200 490 A CA 0.187 52.229 52.037 0.009 0.000 0.707 490 A CB 0.034 19.035 19.000 0.002 0.000 0.862 490 A HN 0.448 nan 8.150 nan 0.000 0.461 491 Q N -0.502 119.310 119.800 0.020 0.000 2.965 491 Q HA 0.214 4.554 4.340 0.000 0.000 0.288 491 Q C -2.185 173.839 176.000 0.041 0.000 0.974 491 Q CA -1.851 53.968 55.803 0.027 0.000 0.849 491 Q CB 1.362 30.116 28.738 0.026 0.000 1.280 491 Q HN 0.215 nan 8.270 nan 0.000 0.441 492 P HA -0.256 nan 4.420 nan 0.000 0.218 492 P C 0.774 178.111 177.300 0.062 0.000 1.147 492 P CA 1.508 64.639 63.100 0.051 0.000 0.827 492 P CB 0.281 32.004 31.700 0.039 0.000 0.778 493 K N -2.150 118.283 120.400 0.055 0.000 2.402 493 K HA 0.056 4.376 4.320 0.000 0.000 0.203 493 K C 0.443 177.082 176.600 0.065 0.000 1.077 493 K CA -0.148 56.173 56.287 0.058 0.000 1.051 493 K CB 0.117 32.642 32.500 0.043 0.000 0.907 493 K HN -0.138 nan 8.250 nan 0.000 0.554 494 N N 2.442 121.181 118.700 0.065 0.000 2.605 494 N HA 0.044 4.784 4.740 0.000 0.000 0.258 494 N C 0.671 176.242 175.510 0.101 0.000 1.156 494 N CA 0.051 53.143 53.050 0.070 0.000 1.008 494 N CB 0.302 38.821 38.487 0.053 0.000 1.354 494 N HN 0.274 nan 8.380 nan 0.000 0.509 495 L N 1.383 122.678 121.223 0.120 0.000 2.201 495 L HA -0.146 4.194 4.340 0.000 0.000 0.212 495 L C 2.238 179.232 176.870 0.207 0.000 1.105 495 L CA 0.740 55.687 54.840 0.178 0.000 0.775 495 L CB -0.095 42.056 42.059 0.152 0.000 0.913 495 L HN 0.448 nan 8.230 nan 0.000 0.440 496 Q N 0.504 120.402 119.800 0.163 0.000 2.079 496 Q HA -0.155 4.185 4.340 0.000 0.000 0.200 496 Q C 2.204 178.314 176.000 0.184 0.000 0.974 496 Q CA 2.026 57.950 55.803 0.202 0.000 0.840 496 Q CB -0.188 28.634 28.738 0.140 0.000 0.898 496 Q HN 0.410 nan 8.270 nan 0.000 0.430 497 A N 0.417 123.300 122.820 0.104 0.000 1.877 497 A HA -0.015 4.305 4.320 0.000 0.000 0.216 497 A C 2.324 179.912 177.584 0.006 0.000 1.186 497 A CA 1.897 53.958 52.037 0.040 0.000 0.620 497 A CB -1.271 17.743 19.000 0.025 0.000 0.822 497 A HN 0.532 nan 8.150 nan 0.000 0.443 498 A N -0.700 122.142 122.820 0.037 0.000 1.883 498 A HA -0.094 4.226 4.320 0.000 0.000 0.217 498 A C 2.066 179.584 177.584 -0.109 0.000 1.186 498 A CA 1.857 53.850 52.037 -0.074 0.000 0.624 498 A CB -0.838 18.169 19.000 0.012 0.000 0.822 498 A HN 0.854 nan 8.150 nan 0.000 0.444 499 F N 1.326 121.268 119.950 -0.014 0.000 2.069 499 F HA -0.196 4.331 4.527 0.000 0.000 0.298 499 F C 1.732 177.523 175.800 -0.015 0.000 1.113 499 F CA 2.177 60.201 58.000 0.041 0.000 1.214 499 F CB -0.925 38.147 39.000 0.120 0.000 0.978 499 F HN 0.353 nan 8.300 nan 0.000 0.474 500 D N 0.094 120.219 120.400 -0.458 0.000 2.133 500 D HA -0.212 4.428 4.640 0.000 0.000 0.195 500 D C 2.245 178.319 176.300 -0.376 0.000 0.997 500 D CA 1.720 55.393 54.000 -0.546 0.000 0.840 500 D CB -0.347 40.317 40.800 -0.227 0.000 0.947 500 D HN 0.394 nan 8.370 nan 0.000 0.452 501 A N 0.388 123.056 122.820 -0.253 0.000 1.855 501 A HA 0.034 4.354 4.320 0.000 0.000 0.215 501 A C 2.375 179.829 177.584 -0.216 0.000 1.191 501 A CA 2.183 54.099 52.037 -0.201 0.000 0.613 501 A CB -1.181 17.716 19.000 -0.171 0.000 0.829 501 A HN 0.303 nan 8.150 nan 0.000 0.442 502 A N -0.912 121.756 122.820 -0.254 0.000 1.883 502 A HA -0.253 4.067 4.320 0.000 0.000 0.217 502 A C 2.166 179.662 177.584 -0.147 0.000 1.186 502 A CA 2.334 54.258 52.037 -0.189 0.000 0.624 502 A CB -0.614 18.288 19.000 -0.164 0.000 0.822 502 A HN 0.549 nan 8.150 nan 0.000 0.444 503 Q N -0.055 119.583 119.800 -0.269 0.000 2.096 503 Q HA -0.090 4.250 4.340 0.000 0.000 0.204 503 Q C 2.031 177.931 176.000 -0.166 0.000 0.982 503 Q CA 2.369 58.019 55.803 -0.256 0.000 0.850 503 Q CB -0.677 27.700 28.738 -0.602 0.000 0.901 503 Q HN 0.571 nan 8.270 nan 0.000 0.422 504 A N -0.344 122.367 122.820 -0.182 0.000 1.877 504 A HA -0.030 4.290 4.320 0.000 0.000 0.216 504 A C 2.325 179.859 177.584 -0.082 0.000 1.186 504 A CA 1.644 53.610 52.037 -0.118 0.000 0.620 504 A CB -1.411 17.519 19.000 -0.116 0.000 0.822 504 A HN 0.554 nan 8.150 nan 0.000 0.443 505 G N -0.529 108.220 108.800 -0.086 0.000 2.418 505 G HA2 -0.004 3.956 3.960 0.000 0.000 0.217 505 G HA3 -0.004 3.956 3.960 0.000 0.000 0.217 505 G C 1.729 176.606 174.900 -0.038 0.000 1.158 505 G CA 1.475 46.540 45.100 -0.059 0.000 0.771 505 G HN 0.804 nan 8.290 nan 0.000 0.545 506 A N 0.814 123.615 122.820 -0.031 0.000 1.902 506 A HA -0.003 4.317 4.320 0.000 0.000 0.217 506 A C 2.147 179.727 177.584 -0.007 0.000 1.181 506 A CA 1.916 53.951 52.037 -0.004 0.000 0.623 506 A CB -0.379 18.635 19.000 0.023 0.000 0.818 506 A HN 0.449 nan 8.150 nan 0.000 0.443 507 E N -0.524 119.664 120.200 -0.020 0.000 2.110 507 E HA -0.177 4.173 4.350 0.000 0.000 0.193 507 E C 2.272 178.862 176.600 -0.018 0.000 0.988 507 E CA 1.006 57.397 56.400 -0.017 0.000 0.804 507 E CB -0.154 29.529 29.700 -0.029 0.000 0.745 507 E HN 0.514 nan 8.360 nan 0.000 0.458 508 R N 0.106 120.592 120.500 -0.025 0.000 2.127 508 R HA -0.116 4.224 4.340 0.000 0.000 0.238 508 R C 2.592 178.882 176.300 -0.017 0.000 1.134 508 R CA 1.693 57.779 56.100 -0.022 0.000 0.975 508 R CB -0.478 29.805 30.300 -0.027 0.000 0.865 508 R HN 0.296 nan 8.270 nan 0.000 0.447 509 T N -2.518 112.027 114.554 -0.015 0.000 3.007 509 T HA -0.095 4.255 4.350 0.000 0.000 0.270 509 T C 2.027 176.720 174.700 -0.012 0.000 1.107 509 T CA 0.914 63.006 62.100 -0.013 0.000 1.118 509 T CB -0.390 68.472 68.868 -0.011 0.000 0.889 509 T HN 0.235 nan 8.240 nan 0.000 0.506 510 C N 0.480 119.775 119.300 -0.009 0.000 2.464 510 C HA 0.331 4.791 4.460 0.000 0.000 0.278 510 C C 2.664 177.649 174.990 -0.009 0.000 1.375 510 C CA -0.102 58.912 59.018 -0.007 0.000 1.761 510 C CB -1.277 26.463 27.740 -0.001 0.000 1.944 510 C HN 0.572 nan 8.230 nan 0.000 0.509 511 L N 1.246 122.462 121.223 -0.010 0.000 2.007 511 L HA -0.064 4.276 4.340 0.000 0.000 0.205 511 L C 2.481 179.344 176.870 -0.011 0.000 1.073 511 L CA 1.852 56.686 54.840 -0.011 0.000 0.744 511 L CB -0.952 41.099 42.059 -0.012 0.000 0.898 511 L HN 0.317 nan 8.230 nan 0.000 0.435 512 S N -1.080 114.613 115.700 -0.013 0.000 2.723 512 S HA -0.056 4.414 4.470 0.000 0.000 0.231 512 S C 0.979 175.571 174.600 -0.013 0.000 0.967 512 S CA -0.082 58.111 58.200 -0.013 0.000 0.958 512 S CB -0.574 62.617 63.200 -0.014 0.000 0.778 512 S HN 0.278 nan 8.310 nan 0.000 0.537 513 S N 1.406 117.098 115.700 -0.013 0.000 2.443 513 S HA 0.197 4.667 4.470 0.000 0.000 0.284 513 S C 1.140 175.732 174.600 -0.013 0.000 1.206 513 S CA -0.601 57.590 58.200 -0.015 0.000 1.074 513 S CB 0.357 63.548 63.200 -0.015 0.000 0.963 513 S HN 0.496 nan 8.310 nan 0.000 0.501 514 K N 4.019 124.410 120.400 -0.014 0.000 1.984 514 K HA 0.020 4.340 4.320 0.000 0.000 0.209 514 K C 1.064 177.656 176.600 -0.013 0.000 1.046 514 K CA 1.070 57.349 56.287 -0.013 0.000 0.934 514 K CB -0.391 32.101 32.500 -0.013 0.000 0.717 514 K HN 0.738 nan 8.250 nan 0.000 0.438 515 A N 2.427 125.238 122.820 -0.015 0.000 2.524 515 A HA -0.055 4.265 4.320 0.000 0.000 0.271 515 A C 0.221 177.797 177.584 -0.014 0.000 1.097 515 A CA 0.709 52.737 52.037 -0.015 0.000 0.791 515 A CB -0.486 18.503 19.000 -0.018 0.000 1.028 515 A HN 0.560 nan 8.150 nan 0.000 0.518 516 N N 0.062 118.755 118.700 -0.011 0.000 2.427 516 N HA 0.118 4.858 4.740 0.000 0.000 0.204 516 N C 0.093 175.598 175.510 -0.008 0.000 1.385 516 N CA 0.516 53.561 53.050 -0.010 0.000 1.563 516 N CB -0.641 37.841 38.487 -0.009 0.000 1.122 516 N HN 0.848 nan 8.380 nan 0.000 0.662 527 S N 1.735 117.440 115.700 0.007 0.000 2.489 527 S HA 0.104 4.574 4.470 0.000 0.000 0.228 527 S C 1.433 176.039 174.600 0.010 0.000 0.995 527 S CA 0.805 59.011 58.200 0.009 0.000 0.934 527 S CB -0.126 63.082 63.200 0.013 0.000 0.771 527 S HN 0.434 nan 8.310 nan 0.000 0.522 528 L N -0.512 120.716 121.223 0.008 0.000 4.367 528 L HA -0.207 4.133 4.340 0.000 0.000 0.424 528 L C 0.994 177.870 176.870 0.011 0.000 1.152 528 L CA 0.358 55.202 54.840 0.006 0.000 0.974 528 L CB -1.897 40.163 42.059 0.002 0.000 2.012 528 L HN 0.412 nan 8.230 nan 0.000 0.922 529 L N -0.425 120.811 121.223 0.021 0.000 2.551 529 L HA -0.020 4.320 4.340 0.000 0.000 0.228 529 L C 2.223 179.116 176.870 0.038 0.000 1.153 529 L CA 1.193 56.055 54.840 0.036 0.000 0.851 529 L CB -0.306 41.783 42.059 0.051 0.000 0.959 529 L HN 0.477 nan 8.230 nan 0.000 0.451 530 G N -1.010 107.803 108.800 0.021 0.000 2.985 530 G HA2 -0.090 3.870 3.960 0.000 0.000 0.209 530 G HA3 -0.090 3.870 3.960 0.000 0.000 0.209 530 G C 1.001 175.892 174.900 -0.015 0.000 1.165 530 G CA -0.119 44.985 45.100 0.006 0.000 0.776 530 G HN 0.263 nan 8.290 nan 0.000 0.541 531 N N 0.310 119.004 118.700 -0.010 0.000 2.214 531 N HA 0.168 4.908 4.740 0.000 0.000 0.214 531 N C 0.292 175.790 175.510 -0.020 0.000 1.132 531 N CA -0.179 52.861 53.050 -0.018 0.000 0.856 531 N CB 0.546 39.026 38.487 -0.012 0.000 1.020 531 N HN 0.314 nan 8.380 nan 0.000 0.509 532 M N 1.204 120.793 119.600 -0.018 0.000 2.217 532 M HA 0.052 4.532 4.480 0.000 0.000 0.354 532 M C -0.307 175.970 176.300 -0.037 0.000 1.225 532 M CA -0.323 54.968 55.300 -0.015 0.000 1.137 532 M CB 0.704 33.310 32.600 0.010 0.000 1.576 532 M HN -0.073 nan 8.290 nan 0.000 0.461 533 D N 5.676 126.058 120.400 -0.030 0.000 2.425 533 D HA 0.146 4.786 4.640 0.000 0.000 0.247 533 D C -2.036 174.231 176.300 -0.055 0.000 1.147 533 D CA -1.312 52.662 54.000 -0.043 0.000 0.879 533 D CB 1.192 41.977 40.800 -0.025 0.000 1.179 533 D HN 0.313 nan 8.370 nan 0.000 0.456 534 P HA -0.056 nan 4.420 nan 0.000 0.215 534 P C 1.319 178.560 177.300 -0.097 0.000 1.153 534 P CA 1.355 64.364 63.100 -0.152 0.000 0.853 534 P CB 0.042 31.588 31.700 -0.256 0.000 0.788 535 G N 0.283 109.042 108.800 -0.069 0.000 2.514 535 G HA2 -0.318 3.642 3.960 0.000 0.000 0.217 535 G HA3 -0.318 3.642 3.960 0.000 0.000 0.217 535 G C 1.693 176.666 174.900 0.122 0.000 1.198 535 G CA 1.317 46.476 45.100 0.097 0.000 0.780 535 G HN 0.330 nan 8.290 nan 0.000 0.565 536 A N 0.541 123.399 122.820 0.062 0.000 1.865 536 A HA -0.176 4.144 4.320 0.000 0.000 0.217 536 A C 2.366 180.005 177.584 0.090 0.000 1.191 536 A CA 2.580 54.654 52.037 0.061 0.000 0.623 536 A CB -0.717 18.300 19.000 0.028 0.000 0.826 536 A HN 0.497 nan 8.150 nan 0.000 0.444 537 Q N -0.329 119.519 119.800 0.079 0.000 2.061 537 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 537 Q C 2.143 178.233 176.000 0.151 0.000 0.984 537 Q CA 3.462 59.332 55.803 0.113 0.000 0.846 537 Q CB -0.729 28.067 28.738 0.098 0.000 0.902 537 Q HN 0.571 nan 8.270 nan 0.000 0.421 538 R N 0.620 121.211 120.500 0.151 0.000 2.091 538 R HA -0.098 4.242 4.340 0.000 0.000 0.238 538 R C 2.343 178.761 176.300 0.197 0.000 1.136 538 R CA 1.697 57.916 56.100 0.198 0.000 0.959 538 R CB -1.689 28.799 30.300 0.314 0.000 0.856 538 R HN 0.528 nan 8.270 nan 0.000 0.437 539 L N -0.377 120.965 121.223 0.199 0.000 2.027 539 L HA -0.024 4.316 4.340 0.000 0.000 0.206 539 L C 3.049 180.118 176.870 0.331 0.000 1.074 539 L CA 1.626 56.602 54.840 0.226 0.000 0.745 539 L CB -0.341 41.825 42.059 0.177 0.000 0.898 539 L HN 0.478 nan 8.230 nan 0.000 0.433 540 A N -0.909 122.074 122.820 0.271 0.000 1.933 540 A HA -0.218 4.102 4.320 0.000 0.000 0.218 540 A C 2.177 179.999 177.584 0.397 0.000 1.175 540 A CA 1.718 53.963 52.037 0.348 0.000 0.628 540 A CB -0.404 18.743 19.000 0.246 0.000 0.814 540 A HN 0.407 nan 8.150 nan 0.000 0.444 541 M N -0.568 119.182 119.600 0.251 0.000 2.254 541 M HA -0.043 4.437 4.480 0.000 0.000 0.265 541 M C 2.157 178.508 176.300 0.085 0.000 1.066 541 M CA 0.940 56.328 55.300 0.146 0.000 1.123 541 M CB -1.302 31.367 32.600 0.114 0.000 1.388 541 M HN 0.233 nan 8.290 nan 0.000 0.425 542 V N 0.005 119.983 119.914 0.107 0.000 2.261 542 V HA -0.263 3.857 4.120 0.000 0.000 0.246 542 V C 2.206 178.257 176.094 -0.071 0.000 1.047 542 V CA 1.854 64.145 62.300 -0.016 0.000 1.015 542 V CB -0.796 30.982 31.823 -0.075 0.000 0.642 542 V HN 0.200 nan 8.190 nan 0.000 0.446 543 F N 0.441 120.439 119.950 0.081 0.000 2.171 543 F HA -0.164 4.363 4.527 0.000 0.000 0.300 543 F C 2.435 178.224 175.800 -0.017 0.000 1.090 543 F CA 2.057 60.117 58.000 0.100 0.000 1.293 543 F CB -0.388 38.737 39.000 0.208 0.000 1.013 543 F HN 0.047 nan 8.300 nan 0.000 0.486 544 K N 0.591 120.969 120.400 -0.036 0.000 2.063 544 K HA -0.209 4.111 4.320 0.000 0.000 0.208 544 K C 2.264 178.651 176.600 -0.356 0.000 1.048 544 K CA 1.346 57.182 56.287 -0.752 0.000 0.928 544 K CB -0.330 31.651 32.500 -0.865 0.000 0.713 544 K HN 0.217 nan 8.250 nan 0.000 0.442 545 A N 1.364 124.076 122.820 -0.180 0.000 1.902 545 A HA -0.117 4.203 4.320 0.000 0.000 0.217 545 A C 2.141 179.669 177.584 -0.093 0.000 1.181 545 A CA 1.270 53.234 52.037 -0.120 0.000 0.623 545 A CB -0.569 18.383 19.000 -0.080 0.000 0.818 545 A HN 0.324 nan 8.150 nan 0.000 0.443 546 L N -0.875 120.298 121.223 -0.083 0.000 2.017 546 L HA -0.196 4.144 4.340 0.000 0.000 0.208 546 L C 3.086 179.950 176.870 -0.011 0.000 1.073 546 L CA 1.160 55.969 54.840 -0.051 0.000 0.745 546 L CB -0.604 41.410 42.059 -0.076 0.000 0.894 546 L HN 0.445 nan 8.230 nan 0.000 0.432 547 A N -0.188 122.633 122.820 0.002 0.000 2.015 547 A HA -0.178 4.142 4.320 0.000 0.000 0.219 547 A C 1.977 179.549 177.584 -0.020 0.000 1.163 547 A CA 1.308 53.359 52.037 0.024 0.000 0.646 547 A CB -0.363 18.675 19.000 0.064 0.000 0.806 547 A HN 0.483 nan 8.150 nan 0.000 0.448 548 E N 0.277 120.434 120.200 -0.071 0.000 2.502 548 E HA -0.025 4.325 4.350 0.000 0.000 0.194 548 E C 1.277 177.856 176.600 -0.034 0.000 1.062 548 E CA 0.646 57.009 56.400 -0.061 0.000 0.867 548 E CB -0.022 29.621 29.700 -0.096 0.000 0.888 548 E HN 0.737 nan 8.360 nan 0.000 0.510 549 S N -0.195 115.490 115.700 -0.024 0.000 2.554 549 S HA 0.130 4.600 4.470 0.000 0.000 0.226 549 S C 0.458 175.058 174.600 -0.001 0.000 0.980 549 S CA -0.372 57.820 58.200 -0.013 0.000 0.939 549 S CB 0.400 63.591 63.200 -0.015 0.000 0.832 549 S HN -0.044 nan 8.310 nan 0.000 0.486 550 E N 0.000 120.203 120.200 0.005 0.000 2.725 550 E HA 0.000 4.350 4.350 0.000 0.000 0.291 550 E CA 0.000 56.409 56.400 0.015 0.000 0.976 550 E CB 0.000 29.716 29.700 0.026 0.000 0.812 550 E HN 0.000 nan 8.360 nan 0.000 0.440