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 2woi_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKAFDLVVIG AGSGGLEAGW NAATLYGKRV AVVDVQTSHG PPFYAALGGT DATA SEQUENCE cVNVGcVPKK LMVTGAQYMD HLRESAGFGW EFDGSSVKAN WKKLIAAKNE DATA SEQUENCE AVLDINKSYE GMFNDTEGLD FFLGWGSLES KNVVVVRETA DPKSAVKERL DATA SEQUENCE QADHILLATG SWPQMPAIPG IEHCISSNEA FYLPEPPRRV LTVGGGFISV DATA SEQUENCE EFAGIFNAYK PPGGKVTLCY RNNLILRGFD ETIREEVTKQ LTANGIEIMT DATA SEQUENCE NENPAKVSLN TDGSKHVTFE SGKTLDVDVV MMAIGRIPRT NDLQLGNVGV DATA SEQUENCE KLTPKGGVQV DEFSRTNVPN IYAIGDITDR LMLTPVAINE GAALVDTVFG DATA SEQUENCE NKPRKTDHTR VASAVFSIPP IGTCGLIEEV AAKEFEKVAV YMSSFTPLMH DATA SEQUENCE NISGSKYKKF VAKIVTNHSD GTVLGVHLLG DGAPEIIQAV GVCLRLNAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPSYYYVKG EKMEKLP 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.585 174.600 -0.024 0.000 1.055 2 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 2 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 3 K N 1.696 122.081 120.400 -0.025 0.000 2.468 3 K HA 0.761 5.080 4.320 -0.000 0.000 0.252 3 K C -0.775 175.743 176.600 -0.136 0.000 0.932 3 K CA -0.756 55.492 56.287 -0.066 0.000 0.794 3 K CB 2.098 34.618 32.500 0.034 0.000 1.241 3 K HN 0.709 nan 8.250 nan 0.000 0.428 4 A N 2.418 125.029 122.820 -0.348 0.000 2.295 4 A HA 0.887 5.206 4.320 -0.000 0.000 0.318 4 A C -1.075 176.013 177.584 -0.826 0.000 1.134 4 A CA -0.258 51.577 52.037 -0.337 0.000 0.827 4 A CB 0.169 19.044 19.000 -0.208 0.000 1.136 4 A HN 0.569 nan 8.150 nan 0.000 0.493 5 F N -0.973 118.998 119.950 0.034 0.000 2.719 5 F HA 0.275 4.801 4.527 -0.000 0.000 0.309 5 F C 0.508 176.353 175.800 0.075 0.000 1.138 5 F CA -0.712 57.323 58.000 0.058 0.000 0.943 5 F CB 1.715 40.764 39.000 0.081 0.000 1.304 5 F HN 0.641 nan 8.300 nan 0.000 0.445 6 D N 0.592 121.154 120.400 0.271 0.000 2.234 6 D HA 0.051 4.691 4.640 -0.000 0.000 0.205 6 D C -0.183 176.347 176.300 0.383 0.000 0.962 6 D CA 1.361 55.503 54.000 0.237 0.000 0.855 6 D CB 0.826 41.618 40.800 -0.013 0.000 0.951 6 D HN 0.137 nan 8.370 nan 0.000 0.500 7 L N 0.800 122.222 121.223 0.331 0.000 2.516 7 L HA 0.282 4.622 4.340 -0.000 0.000 0.267 7 L C -1.483 175.504 176.870 0.196 0.000 0.957 7 L CA -0.606 54.434 54.840 0.333 0.000 0.860 7 L CB 2.362 44.633 42.059 0.354 0.000 1.265 7 L HN -0.377 nan 8.230 nan 0.000 0.403 8 V N 5.520 125.531 119.914 0.162 0.000 2.417 8 V HA 0.625 4.745 4.120 -0.000 0.000 0.291 8 V C -0.577 175.563 176.094 0.078 0.000 1.024 8 V CA -0.611 61.709 62.300 0.033 0.000 0.861 8 V CB 2.006 33.819 31.823 -0.018 0.000 0.985 8 V HN 0.508 nan 8.190 nan 0.000 0.436 9 V N 6.576 126.523 119.914 0.056 0.000 2.409 9 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 9 V C -0.106 176.014 176.094 0.043 0.000 1.020 9 V CA -0.424 61.928 62.300 0.087 0.000 0.848 9 V CB 1.764 33.663 31.823 0.125 0.000 0.990 9 V HN 0.673 nan 8.190 nan 0.000 0.430 10 I N 4.819 125.412 120.570 0.039 0.000 2.291 10 I HA 0.652 4.822 4.170 -0.000 0.000 0.292 10 I C 0.787 176.911 176.117 0.012 0.000 1.064 10 I CA -0.001 61.300 61.300 0.003 0.000 1.269 10 I CB 0.891 38.890 38.000 -0.002 0.000 1.418 10 I HN 0.859 nan 8.210 nan 0.000 0.485 11 G N 4.529 113.326 108.800 -0.006 0.000 3.373 11 G HA2 0.082 4.042 3.960 -0.000 0.000 0.685 11 G HA3 0.082 4.042 3.960 -0.000 0.000 0.685 11 G C -0.192 174.742 174.900 0.057 0.000 1.166 11 G CA -0.424 44.683 45.100 0.011 0.000 1.063 11 G HN 0.902 nan 8.290 nan 0.000 0.481 12 A N 1.679 124.543 122.820 0.073 0.000 3.019 12 A HA 0.722 5.041 4.320 -0.000 0.000 0.262 12 A C 1.407 179.001 177.584 0.015 0.000 1.509 12 A CA 1.230 53.333 52.037 0.111 0.000 1.159 12 A CB -0.347 18.778 19.000 0.208 0.000 1.042 12 A HN 1.977 nan 8.150 nan 0.000 0.641 13 G N -0.950 107.865 108.800 0.025 0.000 2.702 13 G HA2 0.397 4.357 3.960 -0.000 0.000 0.254 13 G HA3 0.397 4.357 3.960 -0.000 0.000 0.254 13 G C 1.060 175.965 174.900 0.008 0.000 1.380 13 G CA 0.458 45.562 45.100 0.008 0.000 1.042 13 G HN 0.252 nan 8.290 nan 0.000 0.557 14 S N -0.241 115.478 115.700 0.032 0.000 2.359 14 S HA -0.153 4.317 4.470 -0.000 0.000 0.222 14 S C 2.461 177.096 174.600 0.058 0.000 1.038 14 S CA 1.879 60.106 58.200 0.045 0.000 1.051 14 S CB -0.766 62.469 63.200 0.059 0.000 0.944 14 S HN 0.795 nan 8.310 nan 0.000 0.433 15 G N 0.710 109.552 108.800 0.070 0.000 2.394 15 G HA2 0.056 4.016 3.960 -0.000 0.000 0.215 15 G HA3 0.056 4.016 3.960 -0.000 0.000 0.215 15 G C 1.396 176.350 174.900 0.090 0.000 1.165 15 G CA 0.857 46.005 45.100 0.079 0.000 0.784 15 G HN 0.570 nan 8.290 nan 0.000 0.535 16 G N 0.716 109.571 108.800 0.091 0.000 2.396 16 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.214 16 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.214 16 G C 1.790 176.771 174.900 0.134 0.000 1.166 16 G CA 0.430 45.597 45.100 0.111 0.000 0.793 16 G HN 0.386 nan 8.290 nan 0.000 0.533 17 L N 0.236 121.524 121.223 0.109 0.000 2.046 17 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 17 L C 2.785 179.752 176.870 0.161 0.000 1.077 17 L CA 1.588 56.498 54.840 0.117 0.000 0.747 17 L CB -0.283 41.780 42.059 0.007 0.000 0.896 17 L HN 0.285 nan 8.230 nan 0.000 0.432 18 E N 0.513 120.793 120.200 0.133 0.000 2.077 18 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 18 E C 2.091 178.818 176.600 0.211 0.000 0.989 18 E CA 1.620 58.118 56.400 0.164 0.000 0.800 18 E CB -0.082 29.686 29.700 0.113 0.000 0.746 18 E HN 0.375 nan 8.360 nan 0.000 0.452 19 A N -0.013 122.908 122.820 0.168 0.000 1.898 19 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 19 A C 2.427 180.126 177.584 0.192 0.000 1.181 19 A CA 1.621 53.753 52.037 0.159 0.000 0.620 19 A CB -1.130 17.944 19.000 0.123 0.000 0.819 19 A HN 0.416 nan 8.150 nan 0.000 0.442 20 G N -1.471 107.449 108.800 0.200 0.000 2.396 20 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.214 20 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.214 20 G C 1.516 176.522 174.900 0.177 0.000 1.166 20 G CA 0.820 46.034 45.100 0.191 0.000 0.793 20 G HN 0.656 nan 8.290 nan 0.000 0.533 21 W N 1.990 123.307 121.300 0.027 0.000 2.355 21 W HA -0.134 4.526 4.660 -0.000 0.000 0.309 21 W C 1.848 178.385 176.519 0.030 0.000 1.206 21 W CA 1.454 58.793 57.345 -0.010 0.000 1.284 21 W CB -0.381 29.065 29.460 -0.024 0.000 1.145 21 W HN 0.163 nan 8.180 nan 0.000 0.502 22 N N 1.033 119.834 118.700 0.169 0.000 2.120 22 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 22 N C 1.970 177.530 175.510 0.082 0.000 1.024 22 N CA 2.593 55.703 53.050 0.100 0.000 0.852 22 N CB -1.066 37.566 38.487 0.242 0.000 1.003 22 N HN 0.220 nan 8.380 nan 0.000 0.424 23 A N 0.525 123.428 122.820 0.138 0.000 1.898 23 A HA 0.119 4.438 4.320 -0.000 0.000 0.216 23 A C 2.258 179.828 177.584 -0.024 0.000 1.181 23 A CA 1.725 53.851 52.037 0.148 0.000 0.620 23 A CB -0.871 18.227 19.000 0.164 0.000 0.819 23 A HN 0.295 nan 8.150 nan 0.000 0.442 24 A N -0.748 122.007 122.820 -0.108 0.000 2.015 24 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 24 A C 2.292 179.704 177.584 -0.286 0.000 1.163 24 A CA 2.452 54.386 52.037 -0.172 0.000 0.646 24 A CB -0.728 18.170 19.000 -0.170 0.000 0.806 24 A HN 0.767 nan 8.150 nan 0.000 0.448 25 T N -3.761 110.532 114.554 -0.435 0.000 3.019 25 T HA 0.235 4.585 4.350 -0.000 0.000 0.247 25 T C 1.699 176.177 174.700 -0.369 0.000 0.992 25 T CA 0.615 62.404 62.100 -0.518 0.000 1.036 25 T CB -0.429 67.865 68.868 -0.956 0.000 1.063 25 T HN 0.200 nan 8.240 nan 0.000 0.476 26 L N -1.076 119.939 121.223 -0.347 0.000 2.209 26 L HA 0.286 4.625 4.340 -0.000 0.000 0.207 26 L C 1.452 177.940 176.870 -0.637 0.000 1.094 26 L CA 0.919 55.462 54.840 -0.495 0.000 0.790 26 L CB -0.346 41.342 42.059 -0.618 0.000 0.932 26 L HN 0.232 nan 8.230 nan 0.000 0.447 27 Y N -0.462 119.777 120.300 -0.102 0.000 2.641 27 Y HA 0.389 4.939 4.550 -0.000 0.000 0.248 27 Y C 1.529 177.346 175.900 -0.140 0.000 1.170 27 Y CA -0.305 57.739 58.100 -0.093 0.000 1.201 27 Y CB 0.298 38.724 38.460 -0.057 0.000 1.232 27 Y HN 0.129 nan 8.280 nan 0.000 0.537 28 G N 1.588 110.353 108.800 -0.059 0.000 2.390 28 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.299 28 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.299 28 G C 0.106 174.957 174.900 -0.083 0.000 1.002 28 G CA 0.176 45.228 45.100 -0.080 0.000 0.979 28 G HN 0.131 nan 8.290 nan 0.000 0.513 29 K N -0.144 120.180 120.400 -0.127 0.000 2.090 29 K HA 0.389 4.708 4.320 -0.000 0.000 0.249 29 K C 0.823 177.391 176.600 -0.053 0.000 0.995 29 K CA -0.710 55.473 56.287 -0.173 0.000 0.914 29 K CB 0.894 33.127 32.500 -0.445 0.000 1.057 29 K HN 0.438 nan 8.250 nan 0.000 0.462 30 R N 0.848 121.362 120.500 0.022 0.000 2.216 30 R HA 0.325 4.665 4.340 -0.000 0.000 0.332 30 R C -0.397 176.103 176.300 0.334 0.000 1.056 30 R CA -0.587 55.628 56.100 0.191 0.000 0.901 30 R CB 0.163 30.559 30.300 0.161 0.000 1.039 30 R HN 0.159 nan 8.270 nan 0.000 0.456 31 V N 2.134 122.230 119.914 0.303 0.000 2.540 31 V HA 0.575 4.694 4.120 -0.000 0.000 0.302 31 V C -0.088 176.016 176.094 0.017 0.000 1.035 31 V CA -0.878 61.526 62.300 0.174 0.000 0.873 31 V CB 1.749 33.652 31.823 0.133 0.000 0.992 31 V HN 0.920 nan 8.190 nan 0.000 0.428 32 A N 4.490 127.123 122.820 -0.312 0.000 2.330 32 A HA 0.916 5.236 4.320 -0.000 0.000 0.327 32 A C -0.934 176.629 177.584 -0.034 0.000 1.155 32 A CA -0.564 51.269 52.037 -0.340 0.000 0.803 32 A CB 1.652 20.070 19.000 -0.971 0.000 1.208 32 A HN 0.688 nan 8.150 nan 0.000 0.477 33 V N 2.559 122.527 119.914 0.090 0.000 2.588 33 V HA 0.520 4.640 4.120 -0.000 0.000 0.304 33 V C -0.517 175.504 176.094 -0.122 0.000 1.042 33 V CA -0.513 61.846 62.300 0.097 0.000 0.877 33 V CB 1.701 33.745 31.823 0.369 0.000 0.996 33 V HN 0.697 nan 8.190 nan 0.000 0.425 34 V N 3.470 123.299 119.914 -0.140 0.000 2.555 34 V HA 0.682 4.802 4.120 -0.000 0.000 0.302 34 V C -0.625 175.327 176.094 -0.237 0.000 1.038 34 V CA -0.384 61.734 62.300 -0.304 0.000 0.887 34 V CB 1.952 33.655 31.823 -0.201 0.000 0.991 34 V HN 0.939 nan 8.190 nan 0.000 0.434 35 D N 1.104 121.308 120.400 -0.327 0.000 2.583 35 D HA 0.294 4.934 4.640 -0.000 0.000 0.248 35 D C 0.445 176.591 176.300 -0.256 0.000 1.209 35 D CA -0.298 53.606 54.000 -0.160 0.000 0.848 35 D CB 2.953 43.831 40.800 0.129 0.000 1.431 35 D HN 0.412 nan 8.370 nan 0.000 0.436 36 V N -0.323 119.334 119.914 -0.429 0.000 3.306 36 V HA 0.237 4.357 4.120 -0.000 0.000 0.264 36 V C 0.456 176.460 176.094 -0.150 0.000 1.149 36 V CA 1.066 62.990 62.300 -0.626 0.000 1.143 36 V CB -0.072 30.898 31.823 -1.422 0.000 0.767 36 V HN 0.459 nan 8.190 nan 0.000 0.476 37 Q N -0.624 119.182 119.800 0.009 0.000 2.426 37 Q HA 0.380 4.720 4.340 -0.000 0.000 0.278 37 Q C 0.390 176.442 176.000 0.086 0.000 1.007 37 Q CA 0.364 56.229 55.803 0.103 0.000 0.850 37 Q CB 2.249 31.072 28.738 0.142 0.000 1.427 37 Q HN 0.415 nan 8.270 nan 0.000 0.391 38 T N -2.228 112.347 114.554 0.036 0.000 3.014 38 T HA 0.210 4.560 4.350 -0.000 0.000 0.250 38 T C 0.617 175.285 174.700 -0.053 0.000 1.060 38 T CA 0.530 62.583 62.100 -0.077 0.000 1.040 38 T CB 0.341 69.138 68.868 -0.119 0.000 0.971 38 T HN 0.323 nan 8.240 nan 0.000 0.497 39 S N 1.190 116.879 115.700 -0.019 0.000 2.569 39 S HA 0.525 4.994 4.470 -0.000 0.000 0.280 39 S C -0.353 174.236 174.600 -0.020 0.000 1.111 39 S CA -0.912 57.289 58.200 0.002 0.000 0.887 39 S CB 1.068 64.247 63.200 -0.034 0.000 1.095 39 S HN 0.692 nan 8.310 nan 0.000 0.476 40 H N 1.062 120.149 119.070 0.028 0.000 2.822 40 H HA 0.663 5.219 4.556 -0.000 0.000 0.373 40 H C 0.817 176.143 175.328 -0.003 0.000 1.223 40 H CA 0.327 56.410 56.048 0.058 0.000 1.436 40 H CB -0.091 29.738 29.762 0.110 0.000 1.439 40 H HN 1.421 nan 8.280 nan 0.000 0.618 41 G N -0.032 108.747 108.800 -0.035 0.000 2.525 41 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.685 41 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.685 41 G C -3.000 171.468 174.900 -0.720 0.000 1.290 41 G CA -0.848 43.967 45.100 -0.476 0.000 0.915 41 G HN 0.767 nan 8.290 nan 0.000 0.548 42 P HA 0.158 nan 4.420 nan 0.000 0.264 42 P C -1.542 175.368 177.300 -0.649 0.000 1.179 42 P CA -0.353 62.155 63.100 -0.987 0.000 0.763 42 P CB 0.495 31.819 31.700 -0.626 0.000 0.806 43 P HA 0.142 nan 4.420 nan 0.000 0.259 43 P C 0.349 177.298 177.300 -0.584 0.000 1.233 43 P CA 0.716 63.363 63.100 -0.755 0.000 0.827 43 P CB 0.348 31.532 31.700 -0.859 0.000 1.154 44 F N -2.255 117.627 119.950 -0.114 0.000 2.721 44 F HA 0.236 4.763 4.527 -0.000 0.000 0.301 44 F C 1.215 177.223 175.800 0.347 0.000 1.096 44 F CA -0.533 57.578 58.000 0.185 0.000 1.308 44 F CB -0.559 38.527 39.000 0.144 0.000 1.086 44 F HN -0.271 nan 8.300 nan 0.000 0.587 45 Y N -1.152 119.338 120.300 0.318 0.000 2.765 45 Y HA -0.395 4.155 4.550 -0.000 0.000 0.475 45 Y C 1.682 177.744 175.900 0.270 0.000 1.140 45 Y CA 0.145 58.415 58.100 0.283 0.000 2.801 45 Y CB -1.995 36.656 38.460 0.318 0.000 1.100 45 Y HN 0.013 nan 8.280 nan 0.000 0.598 46 A N 1.762 124.872 122.820 0.483 0.000 2.386 46 A HA 0.688 5.007 4.320 -0.000 0.000 0.246 46 A C 0.574 178.282 177.584 0.207 0.000 1.089 46 A CA 0.966 53.188 52.037 0.308 0.000 0.790 46 A CB 0.201 19.395 19.000 0.323 0.000 1.042 46 A HN 1.585 nan 8.150 nan 0.000 0.497 47 A N -0.494 122.403 122.820 0.128 0.000 2.573 47 A HA 0.540 4.860 4.320 -0.000 0.000 0.310 47 A C -0.828 176.773 177.584 0.028 0.000 1.142 47 A CA -0.522 51.562 52.037 0.079 0.000 0.620 47 A CB -0.298 18.757 19.000 0.092 0.000 1.382 47 A HN 1.863 nan 8.150 nan 0.000 0.545 48 L N 1.160 122.374 121.223 -0.015 0.000 2.700 48 L HA 0.388 4.727 4.340 -0.000 0.000 0.276 48 L C 1.328 178.102 176.870 -0.160 0.000 1.200 48 L CA 2.822 57.593 54.840 -0.115 0.000 0.951 48 L CB -0.191 41.730 42.059 -0.231 0.000 1.226 48 L HN 2.151 nan 8.230 nan 0.000 0.489 49 G N 1.883 110.486 108.800 -0.328 0.000 2.278 49 G HA2 0.126 4.085 3.960 -0.000 0.000 0.210 49 G HA3 0.126 4.085 3.960 -0.000 0.000 0.210 49 G C 1.033 175.849 174.900 -0.141 0.000 1.000 49 G CA 0.055 44.894 45.100 -0.434 0.000 0.635 49 G HN 1.984 nan 8.290 nan 0.000 0.495 50 G N -1.431 107.343 108.800 -0.045 0.000 2.660 50 G HA2 0.121 4.081 3.960 -0.000 0.000 0.215 50 G HA3 0.121 4.081 3.960 -0.000 0.000 0.215 50 G C 0.721 175.662 174.900 0.069 0.000 1.345 50 G CA 0.742 45.860 45.100 0.029 0.000 0.877 50 G HN 1.200 nan 8.290 nan 0.000 0.549 51 T N -0.506 114.108 114.554 0.100 0.000 2.777 51 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 51 T C 2.471 177.214 174.700 0.071 0.000 1.040 51 T CA 2.416 64.586 62.100 0.117 0.000 1.141 51 T CB -0.539 68.422 68.868 0.156 0.000 0.868 51 T HN 0.937 nan 8.240 nan 0.000 0.444 52 c N 1.077 119.719 118.600 0.070 0.000 2.413 52 c HA -0.089 4.481 4.570 -0.000 0.000 0.278 52 c C 2.767 176.860 174.090 0.006 0.000 1.224 52 c CA 0.816 57.176 56.329 0.052 0.000 1.732 52 c CB -1.197 41.349 42.510 0.060 0.000 2.050 52 c HN 0.374 nan 8.230 nan 0.000 0.463 53 V N 1.810 121.737 119.914 0.021 0.000 2.287 53 V HA -0.204 3.915 4.120 -0.000 0.000 0.248 53 V C 2.301 178.361 176.094 -0.057 0.000 1.053 53 V CA 2.503 64.809 62.300 0.011 0.000 1.027 53 V CB -0.689 31.189 31.823 0.090 0.000 0.646 53 V HN 0.591 nan 8.190 nan 0.000 0.447 54 N N 0.038 118.718 118.700 -0.033 0.000 2.368 54 N HA 0.001 4.740 4.740 -0.000 0.000 0.178 54 N C 0.995 176.384 175.510 -0.202 0.000 1.021 54 N CA 1.700 54.730 53.050 -0.033 0.000 0.875 54 N CB 0.725 39.284 38.487 0.119 0.000 1.020 54 N HN 0.538 nan 8.380 nan 0.000 0.433 55 V N -2.786 116.982 119.914 -0.243 0.000 2.792 55 V HA 0.726 4.846 4.120 -0.000 0.000 0.360 55 V C 0.267 176.163 176.094 -0.330 0.000 1.306 55 V CA -0.402 61.563 62.300 -0.558 0.000 1.245 55 V CB 0.579 32.390 31.823 -0.020 0.000 1.382 55 V HN 0.164 nan 8.190 nan 0.000 0.636 56 G N -0.260 108.380 108.800 -0.267 0.000 3.000 56 G HA2 0.268 4.228 3.960 -0.000 0.000 0.170 56 G HA3 0.268 4.228 3.960 -0.000 0.000 0.170 56 G C 0.802 175.756 174.900 0.090 0.000 1.160 56 G CA 0.573 45.721 45.100 0.080 0.000 0.945 56 G HN 0.307 nan 8.290 nan 0.000 0.593 57 c N 0.012 118.669 118.600 0.096 0.000 2.376 57 c HA -0.051 4.519 4.570 -0.000 0.000 0.275 57 c C 2.829 176.899 174.090 -0.033 0.000 1.200 57 c CA 1.125 57.491 56.329 0.062 0.000 1.756 57 c CB -1.551 40.992 42.510 0.056 0.000 2.050 57 c HN 0.283 nan 8.230 nan 0.000 0.460 58 V N 2.890 122.768 119.914 -0.060 0.000 2.244 58 V HA -0.123 3.997 4.120 -0.000 0.000 0.244 58 V C 0.349 176.367 176.094 -0.127 0.000 1.042 58 V CA 2.643 64.883 62.300 -0.100 0.000 1.006 58 V CB -1.948 29.823 31.823 -0.087 0.000 0.641 58 V HN 0.407 nan 8.190 nan 0.000 0.446 59 P HA -0.174 nan 4.420 nan 0.000 0.221 59 P C 1.372 178.691 177.300 0.033 0.000 1.150 59 P CA 1.581 64.595 63.100 -0.143 0.000 0.800 59 P CB -0.031 31.445 31.700 -0.372 0.000 0.787 60 K N 1.009 121.480 120.400 0.119 0.000 2.097 60 K HA -0.162 4.157 4.320 -0.000 0.000 0.206 60 K C 2.191 178.710 176.600 -0.135 0.000 1.049 60 K CA 1.584 57.898 56.287 0.045 0.000 0.933 60 K CB -0.855 31.676 32.500 0.051 0.000 0.717 60 K HN -0.140 nan 8.250 nan 0.000 0.442 61 K N 1.195 121.481 120.400 -0.190 0.000 2.026 61 K HA 0.006 4.325 4.320 -0.000 0.000 0.208 61 K C 1.922 178.396 176.600 -0.210 0.000 1.048 61 K CA 1.599 57.692 56.287 -0.324 0.000 0.929 61 K CB -0.496 31.768 32.500 -0.393 0.000 0.713 61 K HN 0.307 nan 8.250 nan 0.000 0.439 62 L N -0.218 120.916 121.223 -0.149 0.000 2.042 62 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 62 L C 2.542 179.364 176.870 -0.081 0.000 1.076 62 L CA 1.565 56.342 54.840 -0.104 0.000 0.749 62 L CB -0.360 41.634 42.059 -0.108 0.000 0.893 62 L HN 0.257 nan 8.230 nan 0.000 0.432 63 M N -1.353 118.179 119.600 -0.112 0.000 2.236 63 M HA -0.129 4.351 4.480 -0.000 0.000 0.266 63 M C 2.244 178.516 176.300 -0.046 0.000 1.070 63 M CA 1.009 56.237 55.300 -0.121 0.000 1.137 63 M CB -0.157 32.314 32.600 -0.215 0.000 1.378 63 M HN 0.019 nan 8.290 nan 0.000 0.426 64 V N 0.009 119.862 119.914 -0.102 0.000 2.343 64 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 64 V C 2.290 178.371 176.094 -0.021 0.000 1.051 64 V CA 2.238 64.502 62.300 -0.059 0.000 1.036 64 V CB -1.116 30.668 31.823 -0.065 0.000 0.654 64 V HN 0.490 nan 8.190 nan 0.000 0.451 65 T N 0.448 114.978 114.554 -0.041 0.000 2.720 65 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 65 T C 1.912 176.648 174.700 0.061 0.000 1.037 65 T CA 1.701 63.784 62.100 -0.030 0.000 1.144 65 T CB -0.705 68.157 68.868 -0.010 0.000 0.864 65 T HN 0.638 nan 8.240 nan 0.000 0.444 66 G N 0.960 109.886 108.800 0.211 0.000 2.418 66 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.217 66 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.217 66 G C 1.815 176.958 174.900 0.405 0.000 1.158 66 G CA 0.901 46.273 45.100 0.452 0.000 0.771 66 G HN 0.592 nan 8.290 nan 0.000 0.545 67 A N 0.313 123.313 122.820 0.299 0.000 1.969 67 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 67 A C 2.290 179.864 177.584 -0.017 0.000 1.169 67 A CA 1.809 53.929 52.037 0.139 0.000 0.635 67 A CB -0.398 18.693 19.000 0.151 0.000 0.810 67 A HN 0.440 nan 8.150 nan 0.000 0.445 68 Q N -1.476 118.267 119.800 -0.095 0.000 2.248 68 Q HA -0.233 4.106 4.340 -0.000 0.000 0.208 68 Q C 1.586 177.373 176.000 -0.354 0.000 0.984 68 Q CA 1.825 57.462 55.803 -0.276 0.000 0.875 68 Q CB -0.416 28.117 28.738 -0.342 0.000 0.910 68 Q HN 0.853 nan 8.270 nan 0.000 0.433 69 Y N -0.094 120.219 120.300 0.022 0.000 2.333 69 Y HA -0.223 4.326 4.550 -0.001 0.000 0.290 69 Y C 2.166 178.067 175.900 0.001 0.000 1.144 69 Y CA 1.108 59.250 58.100 0.070 0.000 1.228 69 Y CB -0.329 38.153 38.460 0.037 0.000 0.985 69 Y HN 0.205 nan 8.280 nan 0.000 0.542 70 M N -0.013 119.615 119.600 0.047 0.000 2.108 70 M HA -0.272 4.207 4.480 -0.000 0.000 0.261 70 M C 1.088 177.409 176.300 0.035 0.000 1.066 70 M CA 2.154 57.466 55.300 0.020 0.000 1.107 70 M CB -0.054 32.527 32.600 -0.032 0.000 1.356 70 M HN 0.133 nan 8.290 nan 0.000 0.406 71 D N -0.835 119.538 120.400 -0.045 0.000 2.120 71 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 71 D C 1.952 178.255 176.300 0.006 0.000 0.972 71 D CA 1.127 55.101 54.000 -0.044 0.000 0.837 71 D CB -0.629 40.085 40.800 -0.143 0.000 0.989 71 D HN 0.442 nan 8.370 nan 0.000 0.469 72 H N 0.495 119.593 119.070 0.047 0.000 2.319 72 H HA -0.056 4.500 4.556 -0.000 0.000 0.299 72 H C 2.379 177.782 175.328 0.125 0.000 1.092 72 H CA 0.758 56.840 56.048 0.055 0.000 1.302 72 H CB -0.513 29.255 29.762 0.010 0.000 1.373 72 H HN 0.169 nan 8.280 nan 0.000 0.497 73 L N 0.110 121.503 121.223 0.282 0.000 1.994 73 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 73 L C 2.893 179.998 176.870 0.393 0.000 1.071 73 L CA 1.342 56.379 54.840 0.328 0.000 0.745 73 L CB -0.395 41.827 42.059 0.272 0.000 0.892 73 L HN 0.164 nan 8.230 nan 0.000 0.431 74 R N 0.573 121.233 120.500 0.266 0.000 2.091 74 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 74 R C 2.044 178.471 176.300 0.211 0.000 1.136 74 R CA 1.782 58.002 56.100 0.200 0.000 0.959 74 R CB -0.088 30.300 30.300 0.145 0.000 0.856 74 R HN 0.413 nan 8.270 nan 0.000 0.437 75 E N 0.043 120.384 120.200 0.235 0.000 2.208 75 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 75 E C 1.908 178.738 176.600 0.383 0.000 0.988 75 E CA 1.170 57.743 56.400 0.287 0.000 0.828 75 E CB 0.086 29.962 29.700 0.293 0.000 0.763 75 E HN 0.471 nan 8.360 nan 0.000 0.478 76 S N 1.006 116.922 115.700 0.361 0.000 2.419 76 S HA -0.184 4.286 4.470 -0.000 0.000 0.235 76 S C 2.184 177.102 174.600 0.531 0.000 1.019 76 S CA 0.943 59.408 58.200 0.441 0.000 0.982 76 S CB -0.202 63.194 63.200 0.327 0.000 0.789 76 S HN 0.284 nan 8.310 nan 0.000 0.490 77 A N 1.833 124.857 122.820 0.339 0.000 1.933 77 A HA 0.236 4.556 4.320 -0.000 0.000 0.218 77 A C 2.417 180.097 177.584 0.159 0.000 1.175 77 A CA 1.403 53.563 52.037 0.205 0.000 0.628 77 A CB -1.750 17.288 19.000 0.062 0.000 0.814 77 A HN 0.687 nan 8.150 nan 0.000 0.444 78 G N -1.328 107.559 108.800 0.144 0.000 2.462 78 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.220 78 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.220 78 G C 0.957 175.706 174.900 -0.252 0.000 1.121 78 G CA 0.931 45.983 45.100 -0.080 0.000 0.758 78 G HN 0.498 nan 8.290 nan 0.000 0.559 79 F N 0.342 120.390 119.950 0.162 0.000 2.645 79 F HA 0.409 4.936 4.527 -0.001 0.000 0.300 79 F C 1.782 177.624 175.800 0.070 0.000 1.115 79 F CA 0.271 58.365 58.000 0.157 0.000 1.355 79 F CB 0.700 39.858 39.000 0.264 0.000 1.026 79 F HN 0.223 nan 8.300 nan 0.000 0.536 80 G N -1.172 107.700 108.800 0.120 0.000 2.179 80 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.220 80 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.220 80 G C -0.209 174.606 174.900 -0.141 0.000 0.990 80 G CA -0.788 44.270 45.100 -0.069 0.000 0.646 80 G HN 0.249 nan 8.290 nan 0.000 0.517 81 W N 1.452 122.837 121.300 0.143 0.000 2.316 81 W HA 0.652 5.311 4.660 -0.000 0.000 0.311 81 W C 0.546 177.136 176.519 0.119 0.000 1.217 81 W CA -0.331 57.118 57.345 0.175 0.000 1.199 81 W CB 0.761 30.375 29.460 0.256 0.000 1.202 81 W HN 0.101 nan 8.180 nan 0.000 0.528 82 E N 3.758 124.140 120.200 0.304 0.000 2.224 82 E HA 0.535 4.885 4.350 -0.000 0.000 0.265 82 E C -0.978 175.780 176.600 0.264 0.000 0.878 82 E CA -0.856 55.614 56.400 0.117 0.000 0.759 82 E CB 1.627 31.358 29.700 0.051 0.000 1.164 82 E HN 0.327 nan 8.360 nan 0.000 0.414 83 F N -1.115 118.911 119.950 0.127 0.000 2.779 83 F HA 0.366 4.893 4.527 -0.001 0.000 0.316 83 F C -0.896 174.949 175.800 0.075 0.000 1.164 83 F CA -1.432 56.629 58.000 0.102 0.000 0.924 83 F CB 0.758 39.826 39.000 0.113 0.000 1.348 83 F HN 0.104 nan 8.300 nan 0.000 0.467 84 D N 1.179 121.771 120.400 0.320 0.000 2.416 84 D HA 0.235 4.875 4.640 -0.000 0.000 0.240 84 D C 1.322 177.766 176.300 0.241 0.000 1.250 84 D CA 0.625 54.734 54.000 0.182 0.000 0.967 84 D CB 1.064 41.959 40.800 0.158 0.000 1.059 84 D HN 0.849 nan 8.370 nan 0.000 0.512 85 G N 2.314 111.153 108.800 0.065 0.000 2.450 85 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.220 85 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.220 85 G C 1.501 176.477 174.900 0.126 0.000 1.130 85 G CA 1.025 46.187 45.100 0.103 0.000 0.760 85 G HN 0.546 nan 8.290 nan 0.000 0.557 86 S N 0.928 116.680 115.700 0.086 0.000 2.481 86 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 86 S C 2.269 176.920 174.600 0.085 0.000 0.996 86 S CA 1.506 59.749 58.200 0.073 0.000 0.942 86 S CB -0.366 62.864 63.200 0.050 0.000 0.768 86 S HN 0.538 nan 8.310 nan 0.000 0.520 87 S N 0.419 116.187 115.700 0.112 0.000 2.603 87 S HA 0.229 4.698 4.470 -0.000 0.000 0.220 87 S C 0.403 175.059 174.600 0.093 0.000 0.967 87 S CA -0.317 57.941 58.200 0.097 0.000 0.920 87 S CB -0.462 62.799 63.200 0.102 0.000 0.773 87 S HN 0.284 nan 8.310 nan 0.000 0.529 88 V N 3.347 123.332 119.914 0.118 0.000 2.455 88 V HA 0.391 4.511 4.120 -0.000 0.000 0.273 88 V C 0.095 176.231 176.094 0.070 0.000 1.045 88 V CA -0.289 62.072 62.300 0.101 0.000 0.976 88 V CB 0.330 32.246 31.823 0.155 0.000 0.993 88 V HN 0.664 nan 8.190 nan 0.000 0.475 89 K N 4.174 124.605 120.400 0.052 0.000 2.426 89 K HA 0.873 5.193 4.320 -0.000 0.000 0.251 89 K C -0.869 175.766 176.600 0.058 0.000 0.941 89 K CA -0.758 55.563 56.287 0.057 0.000 0.808 89 K CB 2.279 34.818 32.500 0.066 0.000 1.265 89 K HN 0.565 nan 8.250 nan 0.000 0.432 90 A N 2.749 125.613 122.820 0.073 0.000 2.294 90 A HA 0.243 4.563 4.320 -0.000 0.000 0.316 90 A C -0.760 177.015 177.584 0.319 0.000 1.359 90 A CA -0.715 51.391 52.037 0.116 0.000 0.956 90 A CB -0.100 18.834 19.000 -0.110 0.000 1.155 90 A HN 0.725 nan 8.150 nan 0.000 0.544 91 N N 3.350 122.239 118.700 0.314 0.000 2.521 91 N HA -0.025 4.715 4.740 -0.000 0.000 0.236 91 N C 0.856 176.580 175.510 0.355 0.000 1.067 91 N CA -0.615 52.611 53.050 0.293 0.000 0.939 91 N CB 0.132 38.718 38.487 0.165 0.000 1.201 91 N HN 0.871 nan 8.380 nan 0.000 0.511 92 W N 4.814 126.225 121.300 0.186 0.000 2.342 92 W HA -0.168 4.492 4.660 -0.000 0.000 0.297 92 W C 0.687 177.186 176.519 -0.033 0.000 1.213 92 W CA 1.123 58.461 57.345 -0.012 0.000 1.251 92 W CB 0.281 29.769 29.460 0.047 0.000 1.136 92 W HN 0.498 nan 8.180 nan 0.000 0.526 93 K N 0.358 120.856 120.400 0.163 0.000 2.057 93 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 93 K C 1.982 178.549 176.600 -0.054 0.000 1.049 93 K CA 1.886 58.200 56.287 0.046 0.000 0.931 93 K CB -0.368 32.208 32.500 0.126 0.000 0.714 93 K HN -0.116 nan 8.250 nan 0.000 0.440 94 K N 1.572 121.964 120.400 -0.013 0.000 2.026 94 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 94 K C 1.965 178.497 176.600 -0.112 0.000 1.048 94 K CA 0.981 57.247 56.287 -0.035 0.000 0.929 94 K CB -0.410 32.095 32.500 0.009 0.000 0.713 94 K HN 0.022 nan 8.250 nan 0.000 0.439 95 L N 0.659 121.771 121.223 -0.185 0.000 1.990 95 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 95 L C 1.987 178.623 176.870 -0.391 0.000 1.072 95 L CA 1.738 56.385 54.840 -0.321 0.000 0.755 95 L CB -0.550 41.146 42.059 -0.605 0.000 0.889 95 L HN 0.258 nan 8.230 nan 0.000 0.432 96 I N 0.015 120.260 120.570 -0.541 0.000 2.286 96 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 96 I C 2.662 178.653 176.117 -0.210 0.000 1.115 96 I CA 1.482 62.512 61.300 -0.450 0.000 1.392 96 I CB -1.991 35.722 38.000 -0.478 0.000 1.065 96 I HN 0.410 nan 8.210 nan 0.000 0.418 97 A N 0.755 123.488 122.820 -0.145 0.000 1.898 97 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 97 A C 2.560 180.104 177.584 -0.067 0.000 1.181 97 A CA 1.688 53.688 52.037 -0.060 0.000 0.620 97 A CB -0.683 18.300 19.000 -0.028 0.000 0.819 97 A HN 0.391 nan 8.150 nan 0.000 0.442 98 A N -0.191 122.572 122.820 -0.094 0.000 1.930 98 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 98 A C 2.153 179.673 177.584 -0.107 0.000 1.175 98 A CA 1.846 53.832 52.037 -0.086 0.000 0.627 98 A CB -0.387 18.564 19.000 -0.082 0.000 0.815 98 A HN 0.407 nan 8.150 nan 0.000 0.443 99 K N 0.201 120.512 120.400 -0.149 0.000 2.057 99 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 99 K C 1.405 177.895 176.600 -0.183 0.000 1.049 99 K CA 1.747 57.931 56.287 -0.172 0.000 0.931 99 K CB -0.394 31.977 32.500 -0.215 0.000 0.714 99 K HN 0.403 nan 8.250 nan 0.000 0.440 100 N N 1.456 120.074 118.700 -0.136 0.000 2.188 100 N HA -0.154 4.585 4.740 -0.000 0.000 0.184 100 N C 1.706 177.181 175.510 -0.059 0.000 1.018 100 N CA 0.974 53.963 53.050 -0.102 0.000 0.858 100 N CB -0.171 38.393 38.487 0.129 0.000 0.989 100 N HN 0.424 nan 8.380 nan 0.000 0.426 101 E N 0.705 120.886 120.200 -0.032 0.000 2.051 101 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 101 E C 1.755 178.325 176.600 -0.050 0.000 0.991 101 E CA 1.048 57.438 56.400 -0.017 0.000 0.799 101 E CB -0.020 29.668 29.700 -0.020 0.000 0.748 101 E HN 0.283 nan 8.360 nan 0.000 0.449 102 A N 0.664 123.433 122.820 -0.084 0.000 1.908 102 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 102 A C 2.413 179.929 177.584 -0.113 0.000 1.181 102 A CA 1.622 53.602 52.037 -0.095 0.000 0.627 102 A CB -0.702 18.235 19.000 -0.104 0.000 0.818 102 A HN 0.241 nan 8.150 nan 0.000 0.445 103 V N -0.549 119.255 119.914 -0.184 0.000 2.358 103 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 103 V C 2.460 178.497 176.094 -0.095 0.000 1.047 103 V CA 1.792 63.961 62.300 -0.218 0.000 1.035 103 V CB -0.706 30.820 31.823 -0.495 0.000 0.658 103 V HN 0.571 nan 8.190 nan 0.000 0.452 104 L N 0.498 121.699 121.223 -0.038 0.000 2.042 104 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 104 L C 2.099 178.993 176.870 0.040 0.000 1.076 104 L CA 2.106 57.014 54.840 0.113 0.000 0.749 104 L CB -0.883 41.270 42.059 0.155 0.000 0.893 104 L HN 0.324 nan 8.230 nan 0.000 0.432 105 D N -0.377 120.020 120.400 -0.006 0.000 2.123 105 D HA -0.218 4.422 4.640 -0.000 0.000 0.196 105 D C 2.272 178.546 176.300 -0.043 0.000 0.992 105 D CA 1.974 55.956 54.000 -0.029 0.000 0.833 105 D CB -0.190 40.581 40.800 -0.048 0.000 0.954 105 D HN 0.445 nan 8.370 nan 0.000 0.455 106 I N 1.045 121.588 120.570 -0.044 0.000 2.252 106 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 106 I C 2.061 178.201 176.117 0.037 0.000 1.102 106 I CA 0.646 61.909 61.300 -0.061 0.000 1.385 106 I CB -0.268 37.713 38.000 -0.032 0.000 1.064 106 I HN -0.063 nan 8.210 nan 0.000 0.414 107 N N 1.368 120.134 118.700 0.110 0.000 2.060 107 N HA -0.231 4.509 4.740 -0.000 0.000 0.195 107 N C 1.805 177.371 175.510 0.093 0.000 1.028 107 N CA 1.624 54.763 53.050 0.148 0.000 0.861 107 N CB -0.306 38.255 38.487 0.122 0.000 1.029 107 N HN 0.433 nan 8.380 nan 0.000 0.428 108 K N 0.381 120.802 120.400 0.035 0.000 2.103 108 K HA 0.012 4.331 4.320 -0.000 0.000 0.204 108 K C 2.195 178.790 176.600 -0.007 0.000 1.052 108 K CA 0.861 57.153 56.287 0.009 0.000 0.945 108 K CB -0.185 32.313 32.500 -0.002 0.000 0.722 108 K HN 0.068 nan 8.250 nan 0.000 0.443 109 S N 0.133 115.800 115.700 -0.054 0.000 2.383 109 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 109 S C 1.811 176.336 174.600 -0.124 0.000 1.030 109 S CA 1.200 59.323 58.200 -0.127 0.000 1.002 109 S CB -0.221 62.848 63.200 -0.219 0.000 0.829 109 S HN 0.305 nan 8.310 nan 0.000 0.467 110 Y N 1.458 121.744 120.300 -0.024 0.000 2.420 110 Y HA 0.221 4.771 4.550 -0.000 0.000 0.292 110 Y C 2.496 178.455 175.900 0.099 0.000 1.119 110 Y CA 0.974 59.081 58.100 0.011 0.000 1.229 110 Y CB -0.395 38.083 38.460 0.028 0.000 1.026 110 Y HN 0.441 nan 8.280 nan 0.000 0.554 111 E N -0.280 120.027 120.200 0.178 0.000 2.047 111 E HA -0.154 4.195 4.350 -0.000 0.000 0.191 111 E C 2.497 179.174 176.600 0.128 0.000 0.987 111 E CA 1.128 57.584 56.400 0.094 0.000 0.799 111 E CB -0.456 29.236 29.700 -0.013 0.000 0.752 111 E HN 0.479 nan 8.360 nan 0.000 0.449 112 G N 1.524 110.369 108.800 0.075 0.000 2.440 112 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 112 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 112 G C 1.566 176.511 174.900 0.075 0.000 1.154 112 G CA 0.922 46.055 45.100 0.055 0.000 0.767 112 G HN 0.304 nan 8.290 nan 0.000 0.552 113 M N -0.818 118.822 119.600 0.067 0.000 2.149 113 M HA -0.027 4.452 4.480 -0.000 0.000 0.261 113 M C 2.208 178.550 176.300 0.070 0.000 1.064 113 M CA 1.469 56.797 55.300 0.047 0.000 1.102 113 M CB -0.192 32.392 32.600 -0.027 0.000 1.369 113 M HN 0.245 nan 8.290 nan 0.000 0.408 114 F N 0.898 120.906 119.950 0.098 0.000 2.149 114 F HA -0.130 4.397 4.527 -0.000 0.000 0.294 114 F C 2.074 177.913 175.800 0.065 0.000 1.095 114 F CA 1.357 59.413 58.000 0.094 0.000 1.276 114 F CB -0.762 38.271 39.000 0.056 0.000 1.023 114 F HN 0.248 nan 8.300 nan 0.000 0.480 115 N N 0.173 119.010 118.700 0.228 0.000 2.334 115 N HA -0.176 4.564 4.740 -0.000 0.000 0.187 115 N C 0.931 176.500 175.510 0.098 0.000 1.016 115 N CA 1.548 54.676 53.050 0.130 0.000 0.879 115 N CB -0.482 38.057 38.487 0.087 0.000 0.965 115 N HN 0.290 nan 8.380 nan 0.000 0.438 116 D N -1.145 119.314 120.400 0.097 0.000 2.389 116 D HA 0.084 4.724 4.640 -0.000 0.000 0.206 116 D C -0.216 176.128 176.300 0.072 0.000 1.055 116 D CA 0.496 54.540 54.000 0.074 0.000 0.856 116 D CB 0.352 41.193 40.800 0.069 0.000 0.957 116 D HN 0.021 nan 8.370 nan 0.000 0.509 117 T N 1.334 115.937 114.554 0.080 0.000 2.770 117 T HA 0.364 4.713 4.350 -0.000 0.000 0.283 117 T C -0.122 174.593 174.700 0.026 0.000 0.988 117 T CA -0.737 61.384 62.100 0.034 0.000 0.957 117 T CB 1.674 70.556 68.868 0.024 0.000 0.930 117 T HN -0.044 nan 8.240 nan 0.000 0.443 118 E N 1.229 121.426 120.200 -0.004 0.000 2.301 118 E HA 0.525 4.875 4.350 -0.000 0.000 0.275 118 E C 1.060 177.665 176.600 0.009 0.000 1.030 118 E CA -0.836 55.575 56.400 0.018 0.000 0.852 118 E CB 0.757 30.461 29.700 0.007 0.000 1.060 118 E HN 0.836 nan 8.360 nan 0.000 0.401 119 G N 1.780 110.618 108.800 0.062 0.000 2.143 119 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 119 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 119 G C -0.471 174.505 174.900 0.128 0.000 0.991 119 G CA 0.232 45.387 45.100 0.092 0.000 0.689 119 G HN 0.353 nan 8.290 nan 0.000 0.522 120 L N 1.241 122.553 121.223 0.148 0.000 2.406 120 L HA 0.640 4.979 4.340 -0.000 0.000 0.270 120 L C -1.011 176.077 176.870 0.364 0.000 0.982 120 L CA -1.153 53.815 54.840 0.212 0.000 0.843 120 L CB 1.408 43.510 42.059 0.071 0.000 1.225 120 L HN 0.131 nan 8.230 nan 0.000 0.412 121 D N 3.678 124.276 120.400 0.330 0.000 2.269 121 D HA 0.350 4.989 4.640 -0.000 0.000 0.244 121 D C -1.399 174.832 176.300 -0.115 0.000 0.992 121 D CA -0.153 53.922 54.000 0.124 0.000 0.894 121 D CB 2.614 43.405 40.800 -0.015 0.000 1.248 121 D HN 0.329 nan 8.370 nan 0.000 0.468 122 F N 1.529 121.061 119.950 -0.696 0.000 2.469 122 F HA 0.513 5.039 4.527 -0.000 0.000 0.332 122 F C -1.530 173.726 175.800 -0.907 0.000 1.103 122 F CA -0.792 56.665 58.000 -0.904 0.000 0.979 122 F CB 0.877 39.116 39.000 -1.267 0.000 1.137 122 F HN 0.118 nan 8.300 nan 0.000 0.463 123 F N 6.790 125.951 119.950 -1.315 0.000 2.477 123 F HA 0.433 4.959 4.527 -0.000 0.000 0.335 123 F C -0.880 174.226 175.800 -1.157 0.000 1.130 123 F CA -0.954 56.522 58.000 -0.873 0.000 0.948 123 F CB 1.691 40.401 39.000 -0.484 0.000 1.154 123 F HN 0.313 nan 8.300 nan 0.000 0.439 124 L N 4.123 125.064 121.223 -0.469 0.000 2.278 124 L HA 0.834 5.174 4.340 -0.000 0.000 0.287 124 L C 0.113 176.915 176.870 -0.114 0.000 1.072 124 L CA 0.603 55.316 54.840 -0.211 0.000 0.819 124 L CB -0.050 42.054 42.059 0.075 0.000 1.176 124 L HN 0.765 nan 8.230 nan 0.000 0.435 125 G N 3.108 111.799 108.800 -0.182 0.000 2.350 125 G HA2 0.001 3.960 3.960 -0.000 0.000 0.276 125 G HA3 0.001 3.960 3.960 -0.000 0.000 0.276 125 G C -2.110 172.617 174.900 -0.288 0.000 1.313 125 G CA -0.784 44.245 45.100 -0.118 0.000 0.903 125 G HN 0.416 nan 8.290 nan 0.000 0.490 126 W N 1.226 122.444 121.300 -0.138 0.000 2.349 126 W HA 0.619 5.279 4.660 -0.000 0.000 0.309 126 W C 0.675 177.117 176.519 -0.128 0.000 1.083 126 W CA 0.368 57.618 57.345 -0.158 0.000 1.224 126 W CB 1.695 31.046 29.460 -0.183 0.000 1.256 126 W HN 0.846 nan 8.180 nan 0.000 0.461 127 G N 1.811 110.621 108.800 0.016 0.000 2.425 127 G HA2 0.672 4.631 3.960 -0.000 0.000 0.302 127 G HA3 0.672 4.631 3.960 -0.000 0.000 0.302 127 G C -0.702 174.213 174.900 0.025 0.000 1.159 127 G CA -0.573 44.521 45.100 -0.010 0.000 0.865 127 G HN 0.459 nan 8.290 nan 0.000 0.515 128 S N -0.223 115.480 115.700 0.005 0.000 2.588 128 S HA 0.495 4.965 4.470 -0.000 0.000 0.269 128 S C -1.459 173.135 174.600 -0.010 0.000 1.157 128 S CA -0.888 57.314 58.200 0.004 0.000 0.824 128 S CB 1.502 64.706 63.200 0.006 0.000 1.126 128 S HN 0.403 nan 8.310 nan 0.000 0.464 129 L N 2.265 123.482 121.223 -0.010 0.000 2.283 129 L HA 0.476 4.815 4.340 -0.000 0.000 0.287 129 L C 1.475 178.334 176.870 -0.018 0.000 1.073 129 L CA 0.418 55.248 54.840 -0.015 0.000 0.822 129 L CB 0.320 42.370 42.059 -0.015 0.000 1.186 129 L HN 1.019 nan 8.230 nan 0.000 0.436 130 E N 1.245 121.432 120.200 -0.021 0.000 2.075 130 E HA 0.028 4.377 4.350 -0.000 0.000 0.190 130 E C 0.173 176.760 176.600 -0.021 0.000 0.969 130 E CA 0.657 57.044 56.400 -0.021 0.000 0.815 130 E CB 0.609 30.295 29.700 -0.023 0.000 0.776 130 E HN 0.719 nan 8.360 nan 0.000 0.457 131 S N -1.534 114.153 115.700 -0.022 0.000 2.720 131 S HA 0.294 4.764 4.470 -0.000 0.000 0.287 131 S C 0.379 174.963 174.600 -0.027 0.000 1.168 131 S CA -0.826 57.360 58.200 -0.023 0.000 0.832 131 S CB 1.492 64.679 63.200 -0.022 0.000 1.166 131 S HN 0.040 nan 8.310 nan 0.000 0.493 132 K N 0.460 120.841 120.400 -0.032 0.000 2.189 132 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 132 K C 0.060 176.634 176.600 -0.042 0.000 1.046 132 K CA 2.210 58.472 56.287 -0.042 0.000 0.928 132 K CB -0.425 32.047 32.500 -0.047 0.000 0.720 132 K HN 0.676 nan 8.250 nan 0.000 0.458 133 N N -0.812 117.870 118.700 -0.030 0.000 2.451 133 N HA 0.144 4.884 4.740 -0.000 0.000 0.271 133 N C -1.864 173.643 175.510 -0.004 0.000 1.410 133 N CA -0.326 52.713 53.050 -0.019 0.000 0.884 133 N CB 1.872 40.346 38.487 -0.023 0.000 1.332 133 N HN -0.180 nan 8.380 nan 0.000 0.498 134 V N 0.678 120.586 119.914 -0.010 0.000 2.686 134 V HA 0.440 4.560 4.120 -0.000 0.000 0.306 134 V C -0.454 175.630 176.094 -0.017 0.000 1.065 134 V CA -0.890 61.404 62.300 -0.010 0.000 0.894 134 V CB 2.328 34.141 31.823 -0.017 0.000 1.004 134 V HN -0.176 nan 8.190 nan 0.000 0.424 135 V N 5.245 125.144 119.914 -0.025 0.000 2.370 135 V HA 0.452 4.571 4.120 -0.000 0.000 0.283 135 V C 0.003 176.061 176.094 -0.061 0.000 1.023 135 V CA -0.557 61.718 62.300 -0.042 0.000 0.857 135 V CB 1.848 33.638 31.823 -0.056 0.000 0.985 135 V HN 0.628 nan 8.190 nan 0.000 0.443 136 V N 5.835 125.720 119.914 -0.048 0.000 2.567 136 V HA 0.386 4.505 4.120 -0.000 0.000 0.289 136 V C 0.042 176.104 176.094 -0.053 0.000 1.049 136 V CA -0.456 61.812 62.300 -0.053 0.000 0.969 136 V CB 1.878 33.681 31.823 -0.034 0.000 0.995 136 V HN 0.611 nan 8.190 nan 0.000 0.471 137 V N 6.256 126.128 119.914 -0.071 0.000 2.394 137 V HA 0.540 4.660 4.120 -0.000 0.000 0.282 137 V C 0.180 176.274 176.094 -0.001 0.000 1.031 137 V CA -0.659 61.612 62.300 -0.048 0.000 0.881 137 V CB 1.267 33.029 31.823 -0.103 0.000 0.982 137 V HN 0.853 nan 8.190 nan 0.000 0.451 138 R N 2.547 123.081 120.500 0.057 0.000 2.873 138 R HA 0.459 4.799 4.340 -0.000 0.000 0.264 138 R C 0.635 177.013 176.300 0.131 0.000 1.026 138 R CA -0.910 55.228 56.100 0.064 0.000 1.002 138 R CB 1.637 31.951 30.300 0.024 0.000 1.174 138 R HN 0.526 nan 8.270 nan 0.000 0.488 139 E N 0.794 121.045 120.200 0.085 0.000 2.118 139 E HA -0.132 4.217 4.350 -0.000 0.000 0.195 139 E C 0.692 177.396 176.600 0.175 0.000 0.992 139 E CA 1.877 58.346 56.400 0.115 0.000 0.804 139 E CB 0.236 29.973 29.700 0.062 0.000 0.741 139 E HN 0.749 nan 8.360 nan 0.000 0.458 140 T N -5.714 108.840 114.554 -0.001 0.000 2.681 140 T HA 0.597 4.946 4.350 -0.000 0.000 0.296 140 T C 0.614 174.771 174.700 -0.905 0.000 1.157 140 T CA -0.158 61.706 62.100 -0.393 0.000 1.025 140 T CB 1.199 69.913 68.868 -0.256 0.000 1.441 140 T HN -0.148 nan 8.240 nan 0.000 0.504 141 A N -0.316 121.612 122.820 -1.486 0.000 2.169 141 A HA 0.239 4.558 4.320 -0.000 0.000 0.212 141 A C 0.912 178.141 177.584 -0.591 0.000 1.153 141 A CA 0.322 51.551 52.037 -1.347 0.000 0.756 141 A CB -0.767 17.157 19.000 -1.793 0.000 0.813 141 A HN 0.799 nan 8.150 nan 0.000 0.471 142 D N 1.399 121.536 120.400 -0.438 0.000 2.412 142 D HA 0.064 4.704 4.640 -0.000 0.000 0.257 142 D C -1.856 174.338 176.300 -0.176 0.000 1.217 142 D CA -1.516 52.338 54.000 -0.243 0.000 0.897 142 D CB 0.965 41.657 40.800 -0.181 0.000 1.132 142 D HN 0.173 nan 8.370 nan 0.000 0.493 143 P HA -0.040 nan 4.420 nan 0.000 0.299 143 P C 0.292 177.551 177.300 -0.067 0.000 1.515 143 P CA 0.601 63.647 63.100 -0.089 0.000 0.770 143 P CB 0.212 31.867 31.700 -0.074 0.000 1.614 144 K N -1.211 119.146 120.400 -0.071 0.000 2.706 144 K HA 0.029 4.349 4.320 -0.000 0.000 0.179 144 K C 0.649 177.219 176.600 -0.050 0.000 1.768 144 K CA 0.145 56.398 56.287 -0.055 0.000 1.281 144 K CB 0.290 32.755 32.500 -0.059 0.000 1.819 144 K HN 0.123 nan 8.250 nan 0.000 0.602 145 S N 1.238 116.900 115.700 -0.064 0.000 2.572 145 S HA 0.222 4.692 4.470 -0.000 0.000 0.262 145 S C 0.494 175.079 174.600 -0.026 0.000 1.375 145 S CA -0.031 58.140 58.200 -0.048 0.000 0.996 145 S CB 0.594 63.754 63.200 -0.066 0.000 0.892 145 S HN 0.301 nan 8.310 nan 0.000 0.562 146 A N 1.397 124.211 122.820 -0.011 0.000 2.548 146 A HA 0.397 4.717 4.320 -0.000 0.000 0.247 146 A C 0.338 177.924 177.584 0.003 0.000 1.067 146 A CA -0.554 51.482 52.037 -0.001 0.000 0.757 146 A CB -0.610 18.395 19.000 0.008 0.000 0.996 146 A HN 0.871 nan 8.150 nan 0.000 0.504 147 V N 4.211 124.124 119.914 -0.002 0.000 2.655 147 V HA 0.014 4.134 4.120 -0.000 0.000 0.300 147 V C 1.301 177.397 176.094 0.003 0.000 1.044 147 V CA 0.576 62.873 62.300 -0.004 0.000 1.095 147 V CB 1.002 32.818 31.823 -0.013 0.000 0.952 147 V HN 1.075 nan 8.190 nan 0.000 0.485 148 K N 2.112 122.513 120.400 0.002 0.000 2.287 148 K HA 0.240 4.560 4.320 -0.000 0.000 0.199 148 K C 0.100 176.696 176.600 -0.006 0.000 1.061 148 K CA 0.469 56.763 56.287 0.011 0.000 0.976 148 K CB 0.448 32.964 32.500 0.027 0.000 0.898 148 K HN 0.728 nan 8.250 nan 0.000 0.492 149 E N 0.259 120.431 120.200 -0.048 0.000 2.407 149 E HA 0.300 4.649 4.350 -0.000 0.000 0.279 149 E C -1.205 175.327 176.600 -0.114 0.000 1.012 149 E CA -0.603 55.740 56.400 -0.095 0.000 0.800 149 E CB 2.058 31.632 29.700 -0.209 0.000 1.276 149 E HN 0.016 nan 8.360 nan 0.000 0.452 150 R N 0.879 121.315 120.500 -0.106 0.000 2.621 150 R HA 0.656 4.996 4.340 -0.000 0.000 0.292 150 R C -0.655 175.593 176.300 -0.086 0.000 0.969 150 R CA -0.709 55.340 56.100 -0.086 0.000 0.887 150 R CB 1.624 31.895 30.300 -0.048 0.000 1.180 150 R HN 0.298 nan 8.270 nan 0.000 0.450 151 L N 3.436 124.616 121.223 -0.072 0.000 2.372 151 L HA 0.336 4.676 4.340 -0.000 0.000 0.273 151 L C -0.016 176.885 176.870 0.051 0.000 0.989 151 L CA -0.882 53.959 54.840 0.001 0.000 0.841 151 L CB 1.718 43.722 42.059 -0.091 0.000 1.225 151 L HN 0.557 nan 8.230 nan 0.000 0.414 152 Q N 2.860 122.704 119.800 0.073 0.000 2.259 152 Q HA 0.833 5.173 4.340 -0.000 0.000 0.246 152 Q C -0.958 175.120 176.000 0.131 0.000 0.920 152 Q CA -0.598 55.242 55.803 0.061 0.000 0.895 152 Q CB 2.606 31.356 28.738 0.021 0.000 1.220 152 Q HN 0.650 nan 8.270 nan 0.000 0.439 153 A N 2.077 124.959 122.820 0.103 0.000 2.549 153 A HA 0.353 4.673 4.320 -0.000 0.000 0.297 153 A C -0.664 176.969 177.584 0.082 0.000 1.061 153 A CA -0.710 51.418 52.037 0.152 0.000 0.690 153 A CB 1.703 20.794 19.000 0.152 0.000 1.287 153 A HN 0.845 nan 8.150 nan 0.000 0.402 154 D N 0.185 120.644 120.400 0.098 0.000 2.301 154 D HA 0.088 4.727 4.640 -0.000 0.000 0.206 154 D C -0.228 175.929 176.300 -0.239 0.000 0.979 154 D CA 1.205 55.171 54.000 -0.057 0.000 0.874 154 D CB 0.198 41.002 40.800 0.005 0.000 0.968 154 D HN 0.617 nan 8.370 nan 0.000 0.510 155 H N -0.295 118.907 119.070 0.220 0.000 2.717 155 H HA 0.483 5.039 4.556 -0.000 0.000 0.366 155 H C -0.362 175.098 175.328 0.221 0.000 1.132 155 H CA -0.488 55.720 56.048 0.267 0.000 1.180 155 H CB 2.480 32.515 29.762 0.455 0.000 1.678 155 H HN -0.166 nan 8.280 nan 0.000 0.537 156 I N 3.603 124.326 120.570 0.255 0.000 2.447 156 I HA 0.093 4.263 4.170 -0.000 0.000 0.287 156 I C -0.809 175.441 176.117 0.222 0.000 1.023 156 I CA -0.779 60.622 61.300 0.168 0.000 1.083 156 I CB 2.161 40.193 38.000 0.052 0.000 1.245 156 I HN 0.136 nan 8.210 nan 0.000 0.434 157 L N 8.073 129.433 121.223 0.228 0.000 2.287 157 L HA 0.513 4.852 4.340 -0.000 0.000 0.287 157 L C -0.912 176.039 176.870 0.135 0.000 1.022 157 L CA -0.164 54.810 54.840 0.224 0.000 0.814 157 L CB 1.085 43.275 42.059 0.219 0.000 1.217 157 L HN 0.438 nan 8.230 nan 0.000 0.420 158 L N 6.399 127.693 121.223 0.118 0.000 2.261 158 L HA 0.641 4.980 4.340 -0.000 0.000 0.289 158 L C 0.342 177.265 176.870 0.088 0.000 1.059 158 L CA -0.231 54.658 54.840 0.082 0.000 0.816 158 L CB 0.995 43.093 42.059 0.065 0.000 1.191 158 L HN 0.864 nan 8.230 nan 0.000 0.431 159 A N 1.308 124.174 122.820 0.076 0.000 3.415 159 A HA 0.303 4.623 4.320 -0.000 0.000 0.244 159 A C 0.683 178.309 177.584 0.070 0.000 0.988 159 A CA -0.286 51.799 52.037 0.081 0.000 0.991 159 A CB 0.002 19.056 19.000 0.090 0.000 1.240 159 A HN 0.699 nan 8.150 nan 0.000 0.541 160 T N -2.930 111.663 114.554 0.065 0.000 3.086 160 T HA 0.469 4.819 4.350 -0.000 0.000 0.250 160 T C 1.346 176.101 174.700 0.092 0.000 1.074 160 T CA 1.006 63.138 62.100 0.053 0.000 0.988 160 T CB -0.014 68.875 68.868 0.035 0.000 0.988 160 T HN 2.094 nan 8.240 nan 0.000 0.530 161 G N 2.003 110.868 108.800 0.109 0.000 2.547 161 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.271 161 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.271 161 G C 0.009 175.012 174.900 0.172 0.000 1.209 161 G CA 0.138 45.324 45.100 0.142 0.000 0.959 161 G HN 1.516 nan 8.290 nan 0.000 0.563 162 S N -1.455 114.380 115.700 0.226 0.000 2.740 162 S HA 0.825 5.295 4.470 -0.000 0.000 0.300 162 S C -0.831 174.020 174.600 0.417 0.000 1.147 162 S CA 0.149 58.506 58.200 0.262 0.000 0.871 162 S CB 2.713 66.036 63.200 0.204 0.000 1.173 162 S HN 1.692 nan 8.310 nan 0.000 0.510 163 W N 0.524 121.886 121.300 0.102 0.000 3.213 163 W HA 0.407 5.067 4.660 -0.000 0.000 0.318 163 W C -3.382 173.187 176.519 0.083 0.000 1.248 163 W CA -2.216 55.191 57.345 0.104 0.000 1.187 163 W CB 1.765 31.290 29.460 0.109 0.000 1.403 163 W HN 0.484 nan 8.180 nan 0.000 0.556 164 P HA -0.023 nan 4.420 nan 0.000 0.268 164 P C -0.784 176.503 177.300 -0.022 0.000 1.204 164 P CA 0.580 63.570 63.100 -0.183 0.000 0.768 164 P CB 0.608 32.108 31.700 -0.334 0.000 0.842 165 Q N 2.911 122.728 119.800 0.027 0.000 2.288 165 Q HA 0.348 4.687 4.340 -0.000 0.000 0.254 165 Q C -0.900 175.120 176.000 0.033 0.000 0.932 165 Q CA -0.291 55.550 55.803 0.063 0.000 0.902 165 Q CB 0.436 29.213 28.738 0.066 0.000 1.203 165 Q HN 0.318 nan 8.270 nan 0.000 0.415 166 M N 5.965 125.595 119.600 0.050 0.000 2.181 166 M HA 0.399 4.878 4.480 -0.000 0.000 0.323 166 M C -2.236 174.082 176.300 0.031 0.000 1.004 166 M CA -2.422 52.895 55.300 0.030 0.000 0.941 166 M CB 0.931 33.553 32.600 0.036 0.000 1.579 166 M HN 0.562 nan 8.290 nan 0.000 0.427 167 P HA 0.262 nan 4.420 nan 0.000 0.272 167 P C -0.581 176.727 177.300 0.013 0.000 1.230 167 P CA -0.386 62.724 63.100 0.018 0.000 0.788 167 P CB 0.671 32.377 31.700 0.011 0.000 0.949 168 A N 3.591 126.420 122.820 0.014 0.000 3.126 168 A HA 0.404 4.723 4.320 -0.000 0.000 0.268 168 A C 0.821 178.407 177.584 0.004 0.000 1.605 168 A CA -0.671 51.373 52.037 0.012 0.000 1.305 168 A CB -1.520 17.488 19.000 0.015 0.000 1.160 168 A HN 0.569 nan 8.150 nan 0.000 0.609 169 I N -2.138 118.431 120.570 -0.002 0.000 2.607 169 I HA 0.642 4.812 4.170 -0.000 0.000 0.305 169 I C -2.531 173.583 176.117 -0.004 0.000 0.995 169 I CA -3.022 58.272 61.300 -0.009 0.000 1.148 169 I CB 1.835 39.819 38.000 -0.026 0.000 1.323 169 I HN 0.053 nan 8.210 nan 0.000 0.461 170 P HA 0.139 nan 4.420 nan 0.000 0.268 170 P C 0.646 177.961 177.300 0.025 0.000 1.204 170 P CA 0.713 63.819 63.100 0.010 0.000 0.768 170 P CB 0.872 32.578 31.700 0.010 0.000 0.842 171 G N 2.828 111.658 108.800 0.050 0.000 2.141 171 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.242 171 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.242 171 G C 0.656 175.611 174.900 0.091 0.000 0.982 171 G CA 0.126 45.306 45.100 0.133 0.000 0.662 171 G HN 0.524 nan 8.290 nan 0.000 0.527 172 I N 1.792 122.374 120.570 0.020 0.000 2.361 172 I HA -0.069 4.100 4.170 -0.000 0.000 0.251 172 I C 2.461 178.570 176.117 -0.014 0.000 1.133 172 I CA 2.285 63.586 61.300 0.003 0.000 1.413 172 I CB -0.109 37.891 38.000 -0.000 0.000 1.073 172 I HN 0.479 nan 8.210 nan 0.000 0.424 173 E N -1.061 119.101 120.200 -0.064 0.000 2.478 173 E HA -0.232 4.117 4.350 -0.000 0.000 0.198 173 E C 1.375 177.866 176.600 -0.181 0.000 1.046 173 E CA 1.104 57.434 56.400 -0.117 0.000 0.870 173 E CB -0.978 28.629 29.700 -0.156 0.000 0.818 173 E HN 0.654 nan 8.360 nan 0.000 0.527 174 H N -0.475 118.585 119.070 -0.017 0.000 2.547 174 H HA 0.159 4.715 4.556 -0.000 0.000 0.266 174 H C 0.250 175.553 175.328 -0.042 0.000 0.988 174 H CA -0.089 55.943 56.048 -0.027 0.000 1.147 174 H CB 0.328 30.070 29.762 -0.033 0.000 1.365 174 H HN 0.116 nan 8.280 nan 0.000 0.589 175 C N 1.220 120.549 119.300 0.049 0.000 2.358 175 C HA 0.490 4.949 4.460 -0.000 0.000 0.354 175 C C 0.772 175.745 174.990 -0.028 0.000 1.183 175 C CA -0.995 58.021 59.018 -0.004 0.000 2.150 175 C CB 0.581 28.307 27.740 -0.023 0.000 2.361 175 C HN 0.397 nan 8.230 nan 0.000 0.535 176 I N 0.477 121.011 120.570 -0.061 0.000 3.100 176 I HA 0.851 5.021 4.170 -0.000 0.000 0.312 176 I C 0.179 176.216 176.117 -0.132 0.000 1.063 176 I CA -0.189 61.060 61.300 -0.085 0.000 1.031 176 I CB 1.595 39.544 38.000 -0.085 0.000 1.243 176 I HN 0.672 nan 8.210 nan 0.000 0.483 177 S N 0.175 115.761 115.700 -0.190 0.000 2.798 177 S HA 0.362 4.832 4.470 -0.000 0.000 0.312 177 S C 0.987 175.395 174.600 -0.320 0.000 1.122 177 S CA 0.012 58.063 58.200 -0.247 0.000 0.949 177 S CB 1.106 64.130 63.200 -0.293 0.000 1.235 177 S HN 0.891 nan 8.310 nan 0.000 0.552 178 S N 1.275 116.764 115.700 -0.351 0.000 2.402 178 S HA -0.205 4.265 4.470 -0.000 0.000 0.233 178 S C 1.464 175.931 174.600 -0.223 0.000 1.030 178 S CA 1.412 59.342 58.200 -0.450 0.000 1.003 178 S CB -1.111 61.977 63.200 -0.188 0.000 0.813 178 S HN 0.691 nan 8.310 nan 0.000 0.477 179 N N 2.157 120.717 118.700 -0.233 0.000 2.061 179 N HA -0.108 4.631 4.740 -0.000 0.000 0.193 179 N C 1.684 177.109 175.510 -0.142 0.000 1.030 179 N CA 1.909 54.791 53.050 -0.280 0.000 0.856 179 N CB -0.562 37.329 38.487 -0.994 0.000 1.023 179 N HN 0.563 nan 8.380 nan 0.000 0.424 180 E N 0.511 120.578 120.200 -0.222 0.000 2.158 180 E HA 0.131 4.481 4.350 -0.000 0.000 0.191 180 E C 1.890 178.581 176.600 0.152 0.000 0.982 180 E CA 0.717 57.154 56.400 0.061 0.000 0.823 180 E CB -0.337 29.361 29.700 -0.003 0.000 0.766 180 E HN 0.345 nan 8.360 nan 0.000 0.468 181 A N 0.296 123.072 122.820 -0.073 0.000 1.948 181 A HA -0.190 4.129 4.320 -0.000 0.000 0.220 181 A C 1.674 179.291 177.584 0.054 0.000 1.177 181 A CA 1.160 53.127 52.037 -0.116 0.000 0.636 181 A CB -0.841 17.712 19.000 -0.745 0.000 0.815 181 A HN 0.254 nan 8.150 nan 0.000 0.449 182 F N -2.300 117.688 119.950 0.062 0.000 2.494 182 F HA -0.066 4.460 4.527 -0.000 0.000 0.298 182 F C 1.203 176.694 175.800 -0.516 0.000 1.106 182 F CA 1.063 58.951 58.000 -0.187 0.000 1.452 182 F CB -0.258 38.566 39.000 -0.292 0.000 1.085 182 F HN 0.344 nan 8.300 nan 0.000 0.569 183 Y N -1.400 119.135 120.300 0.392 0.000 2.626 183 Y HA 0.319 4.869 4.550 -0.000 0.000 0.248 183 Y C 0.436 176.530 175.900 0.323 0.000 1.147 183 Y CA -0.975 57.320 58.100 0.325 0.000 1.219 183 Y CB -0.208 38.443 38.460 0.318 0.000 1.279 183 Y HN -0.277 nan 8.280 nan 0.000 0.541 184 L N 3.392 124.904 121.223 0.482 0.000 2.628 184 L HA -0.045 4.294 4.340 -0.000 0.000 0.274 184 L C -1.270 175.891 176.870 0.485 0.000 1.209 184 L CA -0.853 54.236 54.840 0.415 0.000 0.930 184 L CB 0.607 42.861 42.059 0.325 0.000 1.183 184 L HN 0.030 nan 8.230 nan 0.000 0.492 185 P HA -0.145 nan 4.420 nan 0.000 0.218 185 P C -0.339 177.141 177.300 0.300 0.000 1.148 185 P CA 1.176 64.436 63.100 0.266 0.000 0.822 185 P CB 0.191 31.988 31.700 0.161 0.000 0.784 186 E N -1.817 118.488 120.200 0.175 0.000 2.413 186 E HA 0.425 4.775 4.350 -0.000 0.000 0.277 186 E C -3.076 173.273 176.600 -0.418 0.000 0.958 186 E CA -2.745 53.670 56.400 0.024 0.000 0.779 186 E CB 1.716 31.433 29.700 0.029 0.000 1.278 186 E HN -0.192 nan 8.360 nan 0.000 0.456 187 P HA 0.207 nan 4.420 nan 0.000 0.282 187 P C -2.356 174.644 177.300 -0.501 0.000 1.262 187 P CA -1.341 61.164 63.100 -0.992 0.000 0.773 187 P CB 0.435 31.778 31.700 -0.595 0.000 0.879 188 P HA 0.114 nan 4.420 nan 0.000 0.268 188 P C 0.833 177.970 177.300 -0.272 0.000 1.205 188 P CA -0.038 62.825 63.100 -0.396 0.000 0.771 188 P CB 1.310 32.673 31.700 -0.561 0.000 0.858 189 R N 2.818 123.210 120.500 -0.181 0.000 2.075 189 R HA 0.024 4.364 4.340 -0.000 0.000 0.226 189 R C 0.529 176.764 176.300 -0.108 0.000 1.114 189 R CA 0.892 56.925 56.100 -0.112 0.000 0.972 189 R CB 0.276 30.529 30.300 -0.078 0.000 0.869 189 R HN 0.465 nan 8.270 nan 0.000 0.437 190 R N 0.065 120.488 120.500 -0.127 0.000 2.513 190 R HA 0.418 4.757 4.340 -0.000 0.000 0.301 190 R C -1.733 174.469 176.300 -0.164 0.000 0.968 190 R CA -0.505 55.529 56.100 -0.110 0.000 0.872 190 R CB 2.738 32.994 30.300 -0.073 0.000 1.177 190 R HN -0.012 nan 8.270 nan 0.000 0.444 191 V N 4.754 124.570 119.914 -0.163 0.000 2.808 191 V HA 0.490 4.610 4.120 -0.000 0.000 0.308 191 V C -1.822 174.208 176.094 -0.105 0.000 1.099 191 V CA -0.945 61.220 62.300 -0.225 0.000 0.920 191 V CB 2.121 33.647 31.823 -0.494 0.000 1.014 191 V HN 0.604 nan 8.190 nan 0.000 0.425 192 L N 6.630 127.804 121.223 -0.082 0.000 2.280 192 L HA 0.792 5.131 4.340 -0.000 0.000 0.287 192 L C 0.226 177.099 176.870 0.006 0.000 1.023 192 L CA 0.363 55.202 54.840 -0.002 0.000 0.819 192 L CB 1.746 43.824 42.059 0.031 0.000 1.212 192 L HN 0.911 nan 8.230 nan 0.000 0.420 193 T N 2.393 116.981 114.554 0.057 0.000 2.767 193 T HA 0.634 4.984 4.350 -0.000 0.000 0.288 193 T C -0.262 174.480 174.700 0.070 0.000 0.963 193 T CA -0.700 61.441 62.100 0.069 0.000 1.019 193 T CB 1.116 70.060 68.868 0.127 0.000 0.923 193 T HN 0.334 nan 8.240 nan 0.000 0.468 194 V N 3.519 123.463 119.914 0.050 0.000 2.350 194 V HA 0.823 4.942 4.120 -0.000 0.000 0.276 194 V C 0.816 176.958 176.094 0.080 0.000 1.028 194 V CA 0.278 62.625 62.300 0.078 0.000 0.860 194 V CB 0.333 32.183 31.823 0.045 0.000 0.990 194 V HN 1.502 nan 8.190 nan 0.000 0.453 195 G N 3.520 112.400 108.800 0.133 0.000 2.348 195 G HA2 0.346 4.306 3.960 -0.000 0.000 0.606 195 G HA3 0.346 4.306 3.960 -0.000 0.000 0.606 195 G C 0.173 175.104 174.900 0.052 0.000 1.466 195 G CA -0.270 44.915 45.100 0.142 0.000 0.950 195 G HN 0.977 nan 8.290 nan 0.000 0.657 196 G N -0.631 108.085 108.800 -0.140 0.000 3.159 196 G HA2 0.598 4.558 3.960 -0.000 0.000 0.232 196 G HA3 0.598 4.558 3.960 -0.000 0.000 0.232 196 G C 0.899 175.606 174.900 -0.322 0.000 1.116 196 G CA 1.222 46.000 45.100 -0.537 0.000 0.767 196 G HN 1.329 nan 8.290 nan 0.000 0.547 197 G N 0.085 108.800 108.800 -0.142 0.000 2.532 197 G HA2 0.401 4.361 3.960 -0.000 0.000 0.291 197 G HA3 0.401 4.361 3.960 -0.000 0.000 0.291 197 G C 0.789 175.682 174.900 -0.011 0.000 1.349 197 G CA -0.291 44.808 45.100 -0.002 0.000 1.038 197 G HN 0.231 nan 8.290 nan 0.000 0.518 198 F N -1.139 118.811 119.950 0.001 0.000 2.259 198 F HA 0.163 4.690 4.527 -0.000 0.000 0.298 198 F C 2.079 177.890 175.800 0.019 0.000 1.088 198 F CA 0.631 58.611 58.000 -0.034 0.000 1.358 198 F CB -0.385 38.620 39.000 0.009 0.000 1.040 198 F HN 0.172 nan 8.300 nan 0.000 0.505 199 I N 0.172 120.216 120.570 -0.877 0.000 2.202 199 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 199 I C 2.845 178.907 176.117 -0.090 0.000 1.091 199 I CA 1.494 62.479 61.300 -0.524 0.000 1.368 199 I CB -0.780 36.878 38.000 -0.570 0.000 1.058 199 I HN 0.361 nan 8.210 nan 0.000 0.410 200 S N 0.684 116.328 115.700 -0.093 0.000 2.359 200 S HA -0.160 4.309 4.470 -0.000 0.000 0.224 200 S C 2.114 176.731 174.600 0.028 0.000 1.035 200 S CA 1.611 59.814 58.200 0.005 0.000 1.018 200 S CB -0.293 62.898 63.200 -0.014 0.000 0.876 200 S HN 0.226 nan 8.310 nan 0.000 0.448 201 V N 1.653 121.554 119.914 -0.022 0.000 2.343 201 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 201 V C 2.445 178.529 176.094 -0.016 0.000 1.051 201 V CA 2.187 64.473 62.300 -0.023 0.000 1.036 201 V CB -0.775 31.009 31.823 -0.064 0.000 0.654 201 V HN 0.543 nan 8.190 nan 0.000 0.451 202 E N -0.750 119.436 120.200 -0.022 0.000 2.072 202 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 202 E C 2.072 178.537 176.600 -0.225 0.000 0.982 202 E CA 1.224 57.572 56.400 -0.087 0.000 0.803 202 E CB -0.174 29.492 29.700 -0.058 0.000 0.755 202 E HN 0.570 nan 8.360 nan 0.000 0.453 203 F N 0.884 120.730 119.950 -0.173 0.000 2.259 203 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 203 F C 2.311 177.968 175.800 -0.238 0.000 1.088 203 F CA 0.919 58.703 58.000 -0.360 0.000 1.358 203 F CB -0.319 38.441 39.000 -0.399 0.000 1.040 203 F HN -0.005 nan 8.300 nan 0.000 0.505 204 A N 0.061 122.958 122.820 0.128 0.000 1.908 204 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 204 A C 2.561 180.209 177.584 0.106 0.000 1.181 204 A CA 1.855 53.996 52.037 0.174 0.000 0.627 204 A CB -1.567 17.498 19.000 0.108 0.000 0.818 204 A HN 0.394 nan 8.150 nan 0.000 0.445 205 G N -0.325 108.490 108.800 0.025 0.000 2.422 205 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 205 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 205 G C 1.505 176.425 174.900 0.033 0.000 1.140 205 G CA 0.977 46.088 45.100 0.019 0.000 0.775 205 G HN 0.470 nan 8.290 nan 0.000 0.545 206 I N -0.033 120.506 120.570 -0.051 0.000 2.142 206 I HA -0.133 4.037 4.170 -0.000 0.000 0.240 206 I C 2.387 178.633 176.117 0.216 0.000 1.078 206 I CA 0.980 62.287 61.300 0.011 0.000 1.343 206 I CB -0.232 37.609 38.000 -0.265 0.000 1.046 206 I HN 0.057 nan 8.210 nan 0.000 0.405 207 F N 0.798 120.880 119.950 0.220 0.000 2.171 207 F HA -0.198 4.328 4.527 -0.000 0.000 0.300 207 F C 2.331 178.191 175.800 0.099 0.000 1.090 207 F CA 1.394 59.474 58.000 0.132 0.000 1.293 207 F CB -1.328 37.695 39.000 0.038 0.000 1.013 207 F HN 0.146 nan 8.300 nan 0.000 0.486 208 N N 0.516 119.371 118.700 0.258 0.000 2.149 208 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 208 N C 1.776 177.350 175.510 0.107 0.000 1.019 208 N CA 1.538 54.672 53.050 0.141 0.000 0.857 208 N CB -0.274 38.264 38.487 0.085 0.000 0.997 208 N HN 0.196 nan 8.380 nan 0.000 0.426 209 A N -1.307 121.584 122.820 0.118 0.000 1.930 209 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 209 A C 1.372 178.908 177.584 -0.080 0.000 1.176 209 A CA 0.822 52.857 52.037 -0.004 0.000 0.632 209 A CB -0.620 18.351 19.000 -0.048 0.000 0.819 209 A HN 0.475 nan 8.150 nan 0.000 0.445 210 Y N 0.986 121.398 120.300 0.186 0.000 2.457 210 Y HA 0.121 4.671 4.550 -0.000 0.000 0.263 210 Y C 0.928 176.896 175.900 0.113 0.000 1.164 210 Y CA -0.017 58.214 58.100 0.217 0.000 1.274 210 Y CB 0.063 38.794 38.460 0.451 0.000 1.097 210 Y HN 0.322 nan 8.280 nan 0.000 0.523 211 K N 1.702 122.201 120.400 0.165 0.000 2.414 211 K HA 0.152 4.472 4.320 -0.000 0.000 0.272 211 K C -2.677 173.955 176.600 0.053 0.000 0.993 211 K CA -1.515 54.810 56.287 0.064 0.000 0.964 211 K CB -0.111 32.410 32.500 0.034 0.000 0.925 211 K HN -0.076 nan 8.250 nan 0.000 0.487 212 P HA 0.212 nan 4.420 nan 0.000 0.275 212 P C -2.573 174.737 177.300 0.017 0.000 1.266 212 P CA -1.666 61.449 63.100 0.026 0.000 0.793 212 P CB -0.673 31.031 31.700 0.008 0.000 1.074 213 P HA 0.095 nan 4.420 nan 0.000 0.265 213 P C 0.926 178.230 177.300 0.006 0.000 1.193 213 P CA 1.112 64.222 63.100 0.016 0.000 0.765 213 P CB -0.260 31.451 31.700 0.019 0.000 0.823 214 G N 1.710 110.513 108.800 0.004 0.000 2.155 214 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.257 214 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.257 214 G C 0.646 175.541 174.900 -0.009 0.000 0.983 214 G CA -0.126 44.972 45.100 -0.003 0.000 0.676 214 G HN 0.906 nan 8.290 nan 0.000 0.528 215 G N -0.668 108.127 108.800 -0.008 0.000 2.594 215 G HA2 0.525 4.485 3.960 -0.000 0.000 0.243 215 G HA3 0.525 4.485 3.960 -0.000 0.000 0.243 215 G C -0.145 174.746 174.900 -0.015 0.000 1.229 215 G CA 0.649 45.739 45.100 -0.017 0.000 0.843 215 G HN 0.755 nan 8.290 nan 0.000 0.578 216 K N -0.140 120.246 120.400 -0.023 0.000 2.535 216 K HA 0.486 4.806 4.320 -0.000 0.000 0.251 216 K C -1.118 175.473 176.600 -0.015 0.000 0.942 216 K CA -0.570 55.708 56.287 -0.015 0.000 0.798 216 K CB 2.158 34.648 32.500 -0.017 0.000 1.267 216 K HN 0.311 nan 8.250 nan 0.000 0.434 217 V N 3.430 123.349 119.914 0.008 0.000 2.427 217 V HA 0.548 4.668 4.120 -0.000 0.000 0.286 217 V C -0.478 175.628 176.094 0.021 0.000 1.034 217 V CA -0.501 61.815 62.300 0.027 0.000 0.893 217 V CB 1.703 33.579 31.823 0.089 0.000 0.982 217 V HN 0.877 nan 8.190 nan 0.000 0.452 218 T N 6.036 120.604 114.554 0.023 0.000 2.841 218 T HA 0.624 4.974 4.350 -0.000 0.000 0.283 218 T C -0.698 174.031 174.700 0.049 0.000 1.000 218 T CA -0.346 61.769 62.100 0.025 0.000 0.977 218 T CB 1.636 70.519 68.868 0.024 0.000 0.979 218 T HN 0.545 nan 8.240 nan 0.000 0.446 219 L N 3.824 125.074 121.223 0.045 0.000 2.333 219 L HA 0.752 5.091 4.340 -0.000 0.000 0.280 219 L C -0.287 176.625 176.870 0.070 0.000 1.004 219 L CA -0.647 54.230 54.840 0.063 0.000 0.820 219 L CB 0.464 42.551 42.059 0.047 0.000 1.247 219 L HN 0.977 nan 8.230 nan 0.000 0.416 220 C N 2.888 122.257 119.300 0.116 0.000 2.454 220 C HA 0.768 5.228 4.460 -0.000 0.000 0.336 220 C C -0.775 174.346 174.990 0.218 0.000 1.189 220 C CA -0.913 58.186 59.018 0.135 0.000 1.877 220 C CB 0.989 28.850 27.740 0.202 0.000 2.348 220 C HN 0.842 nan 8.230 nan 0.000 0.508 221 Y N 2.094 122.412 120.300 0.030 0.000 2.479 221 Y HA 0.498 5.048 4.550 -0.000 0.000 0.338 221 Y C 1.099 177.017 175.900 0.030 0.000 1.055 221 Y CA -1.050 57.070 58.100 0.033 0.000 1.023 221 Y CB 1.357 39.830 38.460 0.022 0.000 1.287 221 Y HN 0.921 nan 8.280 nan 0.000 0.447 222 R N 2.045 122.211 120.500 -0.556 0.000 2.189 222 R HA 0.090 4.430 4.340 -0.000 0.000 0.218 222 R C -0.693 175.310 176.300 -0.494 0.000 1.074 222 R CA 1.041 56.906 56.100 -0.392 0.000 0.991 222 R CB -0.206 29.939 30.300 -0.260 0.000 0.883 222 R HN 0.649 nan 8.270 nan 0.000 0.457 223 N N 0.106 118.233 118.700 -0.956 0.000 2.681 223 N HA 0.066 4.805 4.740 -0.000 0.000 0.311 223 N C -0.008 175.401 175.510 -0.168 0.000 1.303 223 N CA -0.693 52.085 53.050 -0.454 0.000 0.926 223 N CB 0.363 38.670 38.487 -0.299 0.000 1.136 223 N HN 0.003 nan 8.380 nan 0.000 0.592 224 N N -0.084 118.630 118.700 0.024 0.000 2.392 224 N HA 0.044 4.784 4.740 -0.000 0.000 0.177 224 N C -0.934 174.656 175.510 0.134 0.000 1.066 224 N CA 0.384 53.471 53.050 0.061 0.000 0.895 224 N CB 0.396 38.902 38.487 0.032 0.000 0.988 224 N HN 0.244 nan 8.380 nan 0.000 0.457 225 L N 1.636 123.009 121.223 0.249 0.000 2.614 225 L HA 0.397 4.736 4.340 -0.000 0.000 0.264 225 L C -0.440 176.511 176.870 0.136 0.000 0.940 225 L CA -0.743 54.197 54.840 0.166 0.000 0.903 225 L CB 1.379 43.496 42.059 0.097 0.000 1.306 225 L HN 0.036 nan 8.230 nan 0.000 0.410 226 I N 2.396 122.961 120.570 -0.009 0.000 3.112 226 I HA 0.269 4.439 4.170 -0.000 0.000 0.284 226 I C 0.467 176.461 176.117 -0.205 0.000 1.227 226 I CA -0.410 60.726 61.300 -0.273 0.000 1.369 226 I CB 0.172 38.054 38.000 -0.197 0.000 1.376 226 I HN 0.764 nan 8.210 nan 0.000 0.608 227 L N 0.693 121.764 121.223 -0.253 0.000 3.608 227 L HA -0.178 4.162 4.340 -0.000 0.000 0.422 227 L C 0.739 177.714 176.870 0.176 0.000 1.260 227 L CA 0.272 55.089 54.840 -0.039 0.000 0.889 227 L CB -1.455 40.493 42.059 -0.185 0.000 1.821 227 L HN 0.768 nan 8.230 nan 0.000 0.884 228 R N 0.740 121.288 120.500 0.081 0.000 2.566 228 R HA 0.144 4.484 4.340 -0.000 0.000 0.273 228 R C 1.453 177.838 176.300 0.142 0.000 0.981 228 R CA 1.635 57.808 56.100 0.121 0.000 1.091 228 R CB 0.198 30.576 30.300 0.131 0.000 0.924 228 R HN 0.544 nan 8.270 nan 0.000 0.411 229 G N 2.853 111.683 108.800 0.050 0.000 2.217 229 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.246 229 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.246 229 G C -0.092 174.647 174.900 -0.268 0.000 0.990 229 G CA -0.122 44.916 45.100 -0.103 0.000 0.627 229 G HN 0.515 nan 8.290 nan 0.000 0.522 230 F N 1.083 120.997 119.950 -0.059 0.000 2.408 230 F HA 0.547 5.074 4.527 -0.000 0.000 0.325 230 F C 0.862 176.569 175.800 -0.156 0.000 1.082 230 F CA -0.269 57.672 58.000 -0.097 0.000 1.032 230 F CB 0.750 39.706 39.000 -0.074 0.000 1.259 230 F HN 0.080 nan 8.300 nan 0.000 0.503 231 D N 1.155 121.507 120.400 -0.079 0.000 2.583 231 D HA -0.103 4.537 4.640 -0.000 0.000 0.232 231 D C 1.111 177.394 176.300 -0.029 0.000 1.128 231 D CA 0.584 54.480 54.000 -0.175 0.000 0.859 231 D CB 0.635 41.311 40.800 -0.207 0.000 1.169 231 D HN 0.652 nan 8.370 nan 0.000 0.481 232 E N 1.649 121.837 120.200 -0.020 0.000 2.077 232 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 232 E C 1.451 178.062 176.600 0.019 0.000 0.989 232 E CA 1.406 57.815 56.400 0.016 0.000 0.800 232 E CB 0.151 29.870 29.700 0.031 0.000 0.746 232 E HN 0.665 nan 8.360 nan 0.000 0.452 233 T N 1.431 116.003 114.554 0.029 0.000 2.699 233 T HA -0.182 4.167 4.350 -0.000 0.000 0.268 233 T C 1.921 176.618 174.700 -0.005 0.000 1.036 233 T CA 1.399 63.513 62.100 0.024 0.000 1.147 233 T CB -0.226 68.669 68.868 0.045 0.000 0.862 233 T HN 0.190 nan 8.240 nan 0.000 0.446 234 I N 0.786 121.348 120.570 -0.014 0.000 2.179 234 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 234 I C 2.785 178.871 176.117 -0.053 0.000 1.088 234 I CA 1.357 62.631 61.300 -0.043 0.000 1.357 234 I CB -0.320 37.660 38.000 -0.033 0.000 1.051 234 I HN 0.175 nan 8.210 nan 0.000 0.409 235 R N 0.786 121.270 120.500 -0.027 0.000 2.096 235 R HA -0.213 4.127 4.340 -0.000 0.000 0.240 235 R C 2.145 178.424 176.300 -0.035 0.000 1.139 235 R CA 1.718 57.795 56.100 -0.037 0.000 0.952 235 R CB -0.470 29.831 30.300 0.001 0.000 0.854 235 R HN 0.464 nan 8.270 nan 0.000 0.436 236 E N 0.248 120.438 120.200 -0.018 0.000 2.077 236 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 236 E C 2.036 178.620 176.600 -0.026 0.000 0.989 236 E CA 0.841 57.232 56.400 -0.015 0.000 0.800 236 E CB 0.033 29.731 29.700 -0.004 0.000 0.746 236 E HN 0.264 nan 8.360 nan 0.000 0.452 237 E N 0.498 120.678 120.200 -0.034 0.000 2.046 237 E HA -0.111 4.238 4.350 -0.000 0.000 0.190 237 E C 2.245 178.816 176.600 -0.048 0.000 0.982 237 E CA 0.509 56.886 56.400 -0.039 0.000 0.800 237 E CB -0.332 29.335 29.700 -0.054 0.000 0.756 237 E HN 0.133 nan 8.360 nan 0.000 0.449 238 V N 1.089 120.960 119.914 -0.072 0.000 2.407 238 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 238 V C 1.979 178.034 176.094 -0.065 0.000 1.055 238 V CA 2.448 64.699 62.300 -0.081 0.000 1.049 238 V CB -0.599 31.148 31.823 -0.126 0.000 0.662 238 V HN 0.249 nan 8.190 nan 0.000 0.455 239 T N 0.007 114.525 114.554 -0.059 0.000 2.684 239 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 239 T C 1.864 176.536 174.700 -0.048 0.000 1.036 239 T CA 2.272 64.343 62.100 -0.048 0.000 1.148 239 T CB -0.302 68.546 68.868 -0.034 0.000 0.863 239 T HN 0.603 nan 8.240 nan 0.000 0.436 240 K N 0.570 120.946 120.400 -0.040 0.000 2.103 240 K HA -0.053 4.266 4.320 -0.000 0.000 0.204 240 K C 2.363 178.929 176.600 -0.058 0.000 1.052 240 K CA 1.036 57.299 56.287 -0.041 0.000 0.945 240 K CB 0.018 32.507 32.500 -0.019 0.000 0.722 240 K HN 0.406 nan 8.250 nan 0.000 0.443 241 Q N 0.271 120.055 119.800 -0.026 0.000 2.187 241 Q HA -0.042 4.297 4.340 -0.000 0.000 0.199 241 Q C 2.155 178.104 176.000 -0.086 0.000 0.957 241 Q CA 0.807 56.611 55.803 0.003 0.000 0.857 241 Q CB 0.062 28.869 28.738 0.115 0.000 0.929 241 Q HN 0.307 nan 8.270 nan 0.000 0.453 242 L N 0.223 121.404 121.223 -0.070 0.000 2.017 242 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 242 L C 2.388 179.192 176.870 -0.110 0.000 1.073 242 L CA 1.330 56.125 54.840 -0.075 0.000 0.745 242 L CB -0.815 41.212 42.059 -0.053 0.000 0.894 242 L HN 0.207 nan 8.230 nan 0.000 0.432 243 T N 0.052 114.539 114.554 -0.112 0.000 2.746 243 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 243 T C 1.921 176.506 174.700 -0.192 0.000 1.039 243 T CA 1.349 63.376 62.100 -0.121 0.000 1.142 243 T CB -0.254 68.556 68.868 -0.096 0.000 0.866 243 T HN 0.451 nan 8.240 nan 0.000 0.444 244 A N 1.395 124.026 122.820 -0.314 0.000 2.121 244 A HA -0.005 4.314 4.320 -0.000 0.000 0.218 244 A C 1.998 179.250 177.584 -0.553 0.000 1.154 244 A CA 1.086 52.806 52.037 -0.529 0.000 0.679 244 A CB -0.413 17.998 19.000 -0.981 0.000 0.795 244 A HN 0.380 nan 8.150 nan 0.000 0.458 245 N N -1.170 117.306 118.700 -0.375 0.000 2.230 245 N HA 0.225 4.965 4.740 -0.000 0.000 0.202 245 N C 0.878 176.317 175.510 -0.118 0.000 1.119 245 N CA 0.925 53.845 53.050 -0.217 0.000 0.851 245 N CB 0.337 38.757 38.487 -0.111 0.000 0.990 245 N HN 0.490 nan 8.380 nan 0.000 0.497 246 G N 0.066 108.794 108.800 -0.120 0.000 2.176 246 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.232 246 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.232 246 G C -0.027 174.845 174.900 -0.045 0.000 0.986 246 G CA -0.138 44.920 45.100 -0.070 0.000 0.643 246 G HN 0.270 nan 8.290 nan 0.000 0.522 247 I N 1.210 121.752 120.570 -0.047 0.000 2.428 247 I HA 0.422 4.592 4.170 -0.000 0.000 0.289 247 I C 0.538 176.635 176.117 -0.033 0.000 1.019 247 I CA -0.552 60.734 61.300 -0.024 0.000 1.351 247 I CB 1.473 39.466 38.000 -0.012 0.000 1.412 247 I HN 0.297 nan 8.210 nan 0.000 0.513 248 E N 7.433 127.620 120.200 -0.022 0.000 2.146 248 E HA 0.334 4.684 4.350 -0.000 0.000 0.282 248 E C -1.186 175.399 176.600 -0.025 0.000 0.989 248 E CA -0.592 55.789 56.400 -0.031 0.000 0.799 248 E CB 0.851 30.532 29.700 -0.033 0.000 1.088 248 E HN 0.335 nan 8.360 nan 0.000 0.397 249 I N 5.676 126.228 120.570 -0.030 0.000 2.304 249 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 249 I C -0.044 176.054 176.117 -0.032 0.000 1.018 249 I CA -0.457 60.832 61.300 -0.018 0.000 1.260 249 I CB 0.819 38.810 38.000 -0.015 0.000 1.390 249 I HN 0.757 nan 8.210 nan 0.000 0.475 250 M N 6.563 126.140 119.600 -0.038 0.000 2.103 250 M HA 0.215 4.695 4.480 -0.000 0.000 0.350 250 M C 0.230 176.506 176.300 -0.041 0.000 1.100 250 M CA -0.441 54.804 55.300 -0.091 0.000 1.042 250 M CB 0.973 33.452 32.600 -0.203 0.000 1.368 250 M HN 0.576 nan 8.290 nan 0.000 0.404 251 T N -1.128 113.415 114.554 -0.018 0.000 2.874 251 T HA 0.315 4.664 4.350 -0.000 0.000 0.281 251 T C 0.839 175.510 174.700 -0.048 0.000 0.994 251 T CA -0.768 61.341 62.100 0.015 0.000 1.015 251 T CB 0.655 69.554 68.868 0.052 0.000 1.028 251 T HN 0.728 nan 8.240 nan 0.000 0.523 252 N N 0.749 119.407 118.700 -0.071 0.000 2.721 252 N HA -0.147 4.593 4.740 -0.000 0.000 0.249 252 N C -0.729 174.730 175.510 -0.085 0.000 1.072 252 N CA 0.910 53.904 53.050 -0.093 0.000 0.710 252 N CB -0.695 37.752 38.487 -0.067 0.000 0.993 252 N HN 0.718 nan 8.380 nan 0.000 0.547 253 E N 0.498 120.651 120.200 -0.079 0.000 2.266 253 E HA 0.453 4.803 4.350 -0.000 0.000 0.268 253 E C -0.582 176.082 176.600 0.106 0.000 0.879 253 E CA -0.608 55.768 56.400 -0.040 0.000 0.762 253 E CB 2.126 31.675 29.700 -0.251 0.000 1.199 253 E HN 0.156 nan 8.360 nan 0.000 0.422 254 N N 2.037 120.875 118.700 0.230 0.000 2.310 254 N HA 0.377 5.117 4.740 -0.000 0.000 0.292 254 N C -2.954 172.671 175.510 0.191 0.000 1.049 254 N CA -1.960 51.209 53.050 0.199 0.000 0.849 254 N CB 1.888 40.411 38.487 0.060 0.000 1.532 254 N HN -0.011 nan 8.380 nan 0.000 0.479 255 P HA 0.100 nan 4.420 nan 0.000 0.265 255 P C -0.490 176.714 177.300 -0.159 0.000 1.193 255 P CA 0.121 63.031 63.100 -0.316 0.000 0.765 255 P CB 0.873 32.391 31.700 -0.303 0.000 0.823 256 A N 4.303 127.018 122.820 -0.174 0.000 2.035 256 A HA 0.149 4.468 4.320 -0.000 0.000 0.208 256 A C 0.510 178.040 177.584 -0.091 0.000 1.206 256 A CA 1.071 53.056 52.037 -0.087 0.000 0.773 256 A CB -0.155 18.818 19.000 -0.044 0.000 0.878 256 A HN 0.603 nan 8.150 nan 0.000 0.469 257 K N -2.185 118.132 120.400 -0.139 0.000 2.607 257 K HA 0.648 4.967 4.320 -0.000 0.000 0.287 257 K C -1.821 174.692 176.600 -0.145 0.000 0.996 257 K CA -0.797 55.428 56.287 -0.102 0.000 0.876 257 K CB 1.565 34.035 32.500 -0.050 0.000 1.496 257 K HN -0.084 nan 8.250 nan 0.000 0.415 258 V N 1.136 121.003 119.914 -0.078 0.000 2.709 258 V HA 0.623 4.743 4.120 -0.000 0.000 0.308 258 V C -0.805 175.263 176.094 -0.043 0.000 1.062 258 V CA -0.497 61.749 62.300 -0.090 0.000 0.901 258 V CB 1.725 33.511 31.823 -0.061 0.000 1.003 258 V HN 1.004 nan 8.190 nan 0.000 0.425 259 S N 4.088 119.729 115.700 -0.099 0.000 2.632 259 S HA 0.740 5.210 4.470 -0.000 0.000 0.289 259 S C -0.996 173.410 174.600 -0.323 0.000 1.115 259 S CA -0.827 57.285 58.200 -0.145 0.000 0.889 259 S CB 1.927 65.120 63.200 -0.012 0.000 1.116 259 S HN 0.633 nan 8.310 nan 0.000 0.486 260 L N 2.194 123.191 121.223 -0.375 0.000 2.305 260 L HA 0.423 4.763 4.340 -0.000 0.000 0.281 260 L C -0.599 176.189 176.870 -0.138 0.000 1.085 260 L CA -0.526 54.126 54.840 -0.314 0.000 0.813 260 L CB 0.701 42.665 42.059 -0.159 0.000 1.157 260 L HN 0.732 nan 8.230 nan 0.000 0.436 261 N N 1.187 119.823 118.700 -0.107 0.000 2.508 261 N HA 0.138 4.878 4.740 -0.000 0.000 0.285 261 N C 1.137 176.614 175.510 -0.054 0.000 1.144 261 N CA 0.039 53.044 53.050 -0.075 0.000 0.978 261 N CB 1.709 40.161 38.487 -0.058 0.000 1.180 261 N HN 0.620 nan 8.380 nan 0.000 0.484 262 T N -2.046 112.480 114.554 -0.046 0.000 2.778 262 T HA -0.246 4.104 4.350 -0.000 0.000 0.269 262 T C 0.829 175.515 174.700 -0.024 0.000 1.050 262 T CA 1.639 63.721 62.100 -0.031 0.000 1.137 262 T CB -0.295 68.555 68.868 -0.030 0.000 0.860 262 T HN 0.627 nan 8.240 nan 0.000 0.468 263 D N 0.709 121.093 120.400 -0.027 0.000 2.349 263 D HA 0.290 4.930 4.640 -0.000 0.000 0.224 263 D C 1.662 177.950 176.300 -0.021 0.000 1.029 263 D CA 0.617 54.604 54.000 -0.021 0.000 0.879 263 D CB -0.665 40.121 40.800 -0.022 0.000 0.906 263 D HN 0.653 nan 8.370 nan 0.000 0.528 264 G N -0.138 108.647 108.800 -0.025 0.000 2.234 264 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.235 264 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.235 264 G C 0.546 175.424 174.900 -0.036 0.000 0.997 264 G CA 0.299 45.388 45.100 -0.019 0.000 0.623 264 G HN 0.833 nan 8.290 nan 0.000 0.514 265 S N -0.120 115.553 115.700 -0.045 0.000 2.617 265 S HA 0.694 5.164 4.470 -0.000 0.000 0.259 265 S C 0.005 174.556 174.600 -0.080 0.000 1.301 265 S CA 0.234 58.400 58.200 -0.057 0.000 0.984 265 S CB 1.488 64.661 63.200 -0.045 0.000 0.954 265 S HN 0.340 nan 8.310 nan 0.000 0.572 266 K N 0.575 120.924 120.400 -0.085 0.000 2.164 266 K HA 0.432 4.752 4.320 -0.000 0.000 0.258 266 K C -1.018 175.553 176.600 -0.048 0.000 0.951 266 K CA -0.433 55.787 56.287 -0.113 0.000 0.844 266 K CB 1.006 33.429 32.500 -0.127 0.000 1.099 266 K HN 0.767 nan 8.250 nan 0.000 0.435 267 H N 1.320 120.298 119.070 -0.153 0.000 2.595 267 H HA 0.452 5.007 4.556 -0.000 0.000 0.313 267 H C -1.200 174.046 175.328 -0.137 0.000 1.023 267 H CA -0.666 55.313 56.048 -0.115 0.000 1.218 267 H CB 0.494 30.197 29.762 -0.099 0.000 1.403 267 H HN 0.240 nan 8.280 nan 0.000 0.477 268 V N 5.640 125.262 119.914 -0.486 0.000 2.394 268 V HA 0.293 4.412 4.120 -0.000 0.000 0.282 268 V C 0.131 175.850 176.094 -0.626 0.000 1.031 268 V CA -0.513 61.478 62.300 -0.514 0.000 0.881 268 V CB 1.587 33.099 31.823 -0.518 0.000 0.982 268 V HN 0.878 nan 8.190 nan 0.000 0.451 269 T N 5.885 120.137 114.554 -0.504 0.000 2.771 269 T HA 0.598 4.948 4.350 -0.000 0.000 0.281 269 T C -0.379 174.110 174.700 -0.351 0.000 0.982 269 T CA -0.094 61.817 62.100 -0.315 0.000 0.978 269 T CB 0.514 69.297 68.868 -0.140 0.000 0.930 269 T HN 0.264 nan 8.240 nan 0.000 0.447 270 F N 1.145 121.047 119.950 -0.081 0.000 2.370 270 F HA 0.281 4.808 4.527 -0.000 0.000 0.319 270 F C 1.951 177.727 175.800 -0.040 0.000 1.129 270 F CA -0.672 57.294 58.000 -0.056 0.000 1.109 270 F CB 0.655 39.623 39.000 -0.053 0.000 1.262 270 F HN 0.640 nan 8.300 nan 0.000 0.534 271 E N 0.023 120.310 120.200 0.146 0.000 2.204 271 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 271 E C 1.911 178.554 176.600 0.072 0.000 0.990 271 E CA 1.427 57.871 56.400 0.073 0.000 0.821 271 E CB -0.113 29.617 29.700 0.050 0.000 0.750 271 E HN 0.600 nan 8.360 nan 0.000 0.477 272 S N -0.969 114.792 115.700 0.100 0.000 2.607 272 S HA 0.107 4.577 4.470 -0.000 0.000 0.224 272 S C 1.657 176.289 174.600 0.054 0.000 0.969 272 S CA 0.500 58.732 58.200 0.053 0.000 0.927 272 S CB 0.335 63.547 63.200 0.021 0.000 0.772 272 S HN 0.399 nan 8.310 nan 0.000 0.533 273 G N 1.195 110.043 108.800 0.081 0.000 2.268 273 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.240 273 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.240 273 G C 0.102 175.055 174.900 0.089 0.000 1.010 273 G CA 0.109 45.251 45.100 0.068 0.000 0.618 273 G HN 0.614 nan 8.290 nan 0.000 0.516 274 K N 1.483 121.946 120.400 0.105 0.000 2.440 274 K HA 0.432 4.752 4.320 -0.000 0.000 0.270 274 K C 0.591 177.334 176.600 0.239 0.000 0.980 274 K CA 1.142 57.495 56.287 0.109 0.000 0.953 274 K CB 0.344 32.833 32.500 -0.019 0.000 0.925 274 K HN 0.550 nan 8.250 nan 0.000 0.497 275 T N -0.819 113.836 114.554 0.168 0.000 2.906 275 T HA 0.618 4.968 4.350 -0.000 0.000 0.295 275 T C -1.196 173.575 174.700 0.118 0.000 1.061 275 T CA -1.056 61.097 62.100 0.090 0.000 1.000 275 T CB 1.309 70.173 68.868 -0.007 0.000 1.103 275 T HN 0.325 nan 8.240 nan 0.000 0.486 276 L N 1.374 122.629 121.223 0.054 0.000 2.464 276 L HA 0.592 4.932 4.340 -0.000 0.000 0.266 276 L C -1.668 175.197 176.870 -0.008 0.000 0.965 276 L CA -0.392 54.496 54.840 0.080 0.000 0.833 276 L CB 2.206 44.391 42.059 0.211 0.000 1.296 276 L HN 0.743 nan 8.230 nan 0.000 0.405 277 D N 4.100 124.524 120.400 0.040 0.000 2.249 277 D HA 0.591 5.231 4.640 -0.000 0.000 0.246 277 D C -0.452 175.844 176.300 -0.007 0.000 1.114 277 D CA 0.238 54.259 54.000 0.036 0.000 0.854 277 D CB 1.964 42.805 40.800 0.067 0.000 1.132 277 D HN 0.437 nan 8.370 nan 0.000 0.461 278 V N -0.776 119.117 119.914 -0.036 0.000 3.159 278 V HA 0.393 4.512 4.120 -0.000 0.000 0.308 278 V C 0.372 176.417 176.094 -0.082 0.000 1.190 278 V CA -0.809 61.453 62.300 -0.063 0.000 1.037 278 V CB 2.492 34.269 31.823 -0.076 0.000 1.060 278 V HN 0.254 nan 8.190 nan 0.000 0.437 279 D N 0.543 120.877 120.400 -0.108 0.000 2.194 279 D HA 0.117 4.757 4.640 -0.000 0.000 0.204 279 D C 0.388 176.606 176.300 -0.136 0.000 0.964 279 D CA 1.464 55.394 54.000 -0.117 0.000 0.846 279 D CB 0.915 41.634 40.800 -0.135 0.000 0.962 279 D HN 0.374 nan 8.370 nan 0.000 0.490 280 V N 1.177 120.983 119.914 -0.180 0.000 2.760 280 V HA 0.252 4.372 4.120 -0.000 0.000 0.309 280 V C -0.446 175.545 176.094 -0.172 0.000 1.077 280 V CA -0.787 61.396 62.300 -0.194 0.000 0.910 280 V CB 3.014 34.646 31.823 -0.318 0.000 1.008 280 V HN -0.256 nan 8.190 nan 0.000 0.424 281 V N 5.536 125.375 119.914 -0.124 0.000 2.357 281 V HA 0.483 4.603 4.120 -0.000 0.000 0.284 281 V C -0.093 175.942 176.094 -0.099 0.000 1.018 281 V CA -0.333 61.906 62.300 -0.102 0.000 0.841 281 V CB 1.554 33.326 31.823 -0.085 0.000 0.991 281 V HN 0.883 nan 8.190 nan 0.000 0.437 282 M N 6.289 125.831 119.600 -0.097 0.000 2.066 282 M HA 0.499 4.979 4.480 -0.000 0.000 0.340 282 M C -0.780 175.475 176.300 -0.076 0.000 1.053 282 M CA -0.503 54.735 55.300 -0.104 0.000 0.983 282 M CB 1.020 33.555 32.600 -0.108 0.000 1.520 282 M HN 0.478 nan 8.290 nan 0.000 0.428 283 M N 3.947 123.499 119.600 -0.081 0.000 2.188 283 M HA 0.290 4.770 4.480 -0.000 0.000 0.354 283 M C -0.026 176.228 176.300 -0.076 0.000 1.342 283 M CA 0.141 55.406 55.300 -0.057 0.000 1.117 283 M CB 0.675 33.245 32.600 -0.050 0.000 1.670 283 M HN 0.787 nan 8.290 nan 0.000 0.466 284 A N 4.832 127.623 122.820 -0.048 0.000 3.308 284 A HA 0.428 4.748 4.320 -0.000 0.000 0.275 284 A C 0.643 178.213 177.584 -0.023 0.000 0.950 284 A CA -0.480 51.518 52.037 -0.065 0.000 0.987 284 A CB -0.434 18.518 19.000 -0.080 0.000 1.146 284 A HN 0.935 nan 8.150 nan 0.000 0.488 285 I N -3.401 117.171 120.570 0.004 0.000 3.860 285 I HA 0.617 4.787 4.170 -0.000 0.000 0.319 285 I C 0.697 176.847 176.117 0.054 0.000 1.279 285 I CA 0.341 61.672 61.300 0.050 0.000 1.220 285 I CB 0.598 38.634 38.000 0.060 0.000 1.027 285 I HN 0.429 nan 8.210 nan 0.000 0.428 286 G N 0.922 109.740 108.800 0.030 0.000 2.340 286 G HA2 0.375 4.335 3.960 -0.000 0.000 0.300 286 G HA3 0.375 4.335 3.960 -0.000 0.000 0.300 286 G C -1.635 173.291 174.900 0.044 0.000 1.488 286 G CA -1.111 44.021 45.100 0.053 0.000 0.878 286 G HN 0.121 nan 8.290 nan 0.000 0.618 287 R N -0.309 120.237 120.500 0.077 0.000 2.621 287 R HA 0.686 5.026 4.340 -0.000 0.000 0.292 287 R C -0.124 176.251 176.300 0.126 0.000 0.969 287 R CA -0.854 55.304 56.100 0.097 0.000 0.887 287 R CB 2.168 32.537 30.300 0.114 0.000 1.180 287 R HN 0.709 nan 8.270 nan 0.000 0.450 288 I N -0.982 119.681 120.570 0.156 0.000 2.693 288 I HA 0.595 4.764 4.170 -0.000 0.000 0.303 288 I C -2.547 173.671 176.117 0.169 0.000 1.025 288 I CA -3.318 58.071 61.300 0.148 0.000 1.086 288 I CB 1.989 40.072 38.000 0.137 0.000 1.268 288 I HN 0.237 nan 8.210 nan 0.000 0.440 289 P HA 0.069 nan 4.420 nan 0.000 0.264 289 P C -0.883 176.492 177.300 0.124 0.000 1.193 289 P CA -0.072 63.102 63.100 0.123 0.000 0.763 289 P CB 0.395 32.150 31.700 0.091 0.000 0.810 290 R N 2.525 123.101 120.500 0.128 0.000 2.891 290 R HA 0.146 4.486 4.340 -0.000 0.000 0.248 290 R C 0.661 176.993 176.300 0.053 0.000 1.439 290 R CA 0.185 56.343 56.100 0.096 0.000 1.288 290 R CB -0.518 29.848 30.300 0.111 0.000 1.212 290 R HN 0.531 nan 8.270 nan 0.000 0.605 291 T N -1.487 113.092 114.554 0.043 0.000 2.985 291 T HA 0.072 4.422 4.350 -0.000 0.000 0.254 291 T C 1.261 175.968 174.700 0.013 0.000 1.021 291 T CA -0.255 61.864 62.100 0.031 0.000 0.957 291 T CB 0.160 69.048 68.868 0.033 0.000 1.047 291 T HN 0.279 nan 8.240 nan 0.000 0.511 292 N N 2.678 121.378 118.700 0.000 0.000 2.149 292 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 292 N C 0.976 176.469 175.510 -0.029 0.000 1.019 292 N CA 1.508 54.547 53.050 -0.018 0.000 0.857 292 N CB -0.262 38.203 38.487 -0.037 0.000 0.997 292 N HN 0.515 nan 8.380 nan 0.000 0.426 293 D N 0.100 120.488 120.400 -0.020 0.000 2.340 293 D HA 0.066 4.706 4.640 -0.000 0.000 0.220 293 D C 1.524 177.832 176.300 0.012 0.000 1.039 293 D CA 0.047 54.037 54.000 -0.017 0.000 0.866 293 D CB 0.237 41.061 40.800 0.041 0.000 0.913 293 D HN 0.273 nan 8.370 nan 0.000 0.523 294 L N 0.334 121.564 121.223 0.011 0.000 2.558 294 L HA -0.010 4.330 4.340 -0.000 0.000 0.225 294 L C 0.022 176.892 176.870 -0.000 0.000 1.128 294 L CA 0.070 54.919 54.840 0.014 0.000 0.868 294 L CB -0.016 42.052 42.059 0.016 0.000 1.006 294 L HN -0.166 nan 8.230 nan 0.000 0.454 295 Q N 0.129 119.923 119.800 -0.010 0.000 2.443 295 Q HA -0.224 4.116 4.340 -0.000 0.000 0.337 295 Q C 0.887 176.879 176.000 -0.012 0.000 1.401 295 Q CA 0.724 56.518 55.803 -0.015 0.000 0.943 295 Q CB -2.174 26.552 28.738 -0.019 0.000 1.177 295 Q HN 0.503 nan 8.270 nan 0.000 0.394 296 L N -1.735 119.483 121.223 -0.008 0.000 2.376 296 L HA -0.064 4.275 4.340 -0.000 0.000 0.219 296 L C 2.131 178.995 176.870 -0.010 0.000 1.133 296 L CA 1.204 56.040 54.840 -0.007 0.000 0.816 296 L CB -0.307 41.752 42.059 -0.001 0.000 0.933 296 L HN 0.546 nan 8.230 nan 0.000 0.449 297 G N 0.123 108.916 108.800 -0.011 0.000 2.422 297 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 297 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 297 G C 1.281 176.173 174.900 -0.014 0.000 1.140 297 G CA 0.308 45.401 45.100 -0.012 0.000 0.775 297 G HN 0.337 nan 8.290 nan 0.000 0.545 298 N N 0.079 118.770 118.700 -0.016 0.000 2.443 298 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 298 N C 1.947 177.446 175.510 -0.019 0.000 1.037 298 N CA 1.433 54.472 53.050 -0.017 0.000 0.896 298 N CB 0.260 38.736 38.487 -0.019 0.000 0.959 298 N HN 0.473 nan 8.380 nan 0.000 0.442 299 V N -5.857 114.045 119.914 -0.020 0.000 3.382 299 V HA 0.537 4.657 4.120 -0.000 0.000 0.296 299 V C 1.001 177.082 176.094 -0.022 0.000 1.529 299 V CA 0.408 62.694 62.300 -0.023 0.000 1.048 299 V CB 0.203 32.008 31.823 -0.030 0.000 0.878 299 V HN 0.117 nan 8.190 nan 0.000 0.442 300 G N 1.030 109.819 108.800 -0.017 0.000 2.147 300 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 300 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 300 G C 0.085 174.976 174.900 -0.014 0.000 1.005 300 G CA 0.126 45.217 45.100 -0.015 0.000 0.713 300 G HN 1.013 nan 8.290 nan 0.000 0.515 301 V N 1.312 121.217 119.914 -0.015 0.000 2.493 301 V HA 0.136 4.256 4.120 -0.000 0.000 0.292 301 V C 1.267 177.359 176.094 -0.003 0.000 1.016 301 V CA 0.502 62.795 62.300 -0.012 0.000 1.097 301 V CB 1.164 32.980 31.823 -0.011 0.000 0.947 301 V HN 0.423 nan 8.190 nan 0.000 0.479 302 K N 5.387 125.787 120.400 -0.001 0.000 2.298 302 K HA 0.412 4.731 4.320 -0.000 0.000 0.280 302 K C -0.654 175.953 176.600 0.011 0.000 1.032 302 K CA -0.422 55.868 56.287 0.005 0.000 0.958 302 K CB 0.533 33.036 32.500 0.005 0.000 0.978 302 K HN 0.547 nan 8.250 nan 0.000 0.472 303 L N 2.770 124.000 121.223 0.012 0.000 2.344 303 L HA 0.309 4.649 4.340 -0.000 0.000 0.272 303 L C 0.823 177.703 176.870 0.016 0.000 1.035 303 L CA -0.972 53.879 54.840 0.017 0.000 0.807 303 L CB 1.657 43.728 42.059 0.019 0.000 1.237 303 L HN 0.794 nan 8.230 nan 0.000 0.442 304 T N -2.016 112.549 114.554 0.019 0.000 2.766 304 T HA 0.205 4.555 4.350 -0.000 0.000 0.295 304 T C -1.895 172.817 174.700 0.019 0.000 1.024 304 T CA -1.350 60.760 62.100 0.017 0.000 1.018 304 T CB 0.836 69.714 68.868 0.017 0.000 1.002 304 T HN 0.382 nan 8.240 nan 0.000 0.532 305 P HA 0.092 nan 4.420 nan 0.000 0.226 305 P C 0.909 178.222 177.300 0.023 0.000 1.153 305 P CA 0.774 63.885 63.100 0.018 0.000 0.777 305 P CB 0.040 31.749 31.700 0.015 0.000 0.794 306 K N -1.832 118.583 120.400 0.026 0.000 2.365 306 K HA 0.236 4.556 4.320 -0.000 0.000 0.197 306 K C 1.348 177.972 176.600 0.040 0.000 1.042 306 K CA 0.782 57.089 56.287 0.033 0.000 0.987 306 K CB -0.177 32.344 32.500 0.035 0.000 0.779 306 K HN 0.128 nan 8.250 nan 0.000 0.484 307 G N 0.713 109.535 108.800 0.036 0.000 2.184 307 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.206 307 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.206 307 G C 0.357 175.283 174.900 0.044 0.000 0.995 307 G CA -0.442 44.683 45.100 0.041 0.000 0.651 307 G HN 0.450 nan 8.290 nan 0.000 0.511 308 G N -0.058 108.767 108.800 0.042 0.000 2.491 308 G HA2 0.541 4.500 3.960 -0.000 0.000 0.242 308 G HA3 0.541 4.500 3.960 -0.000 0.000 0.242 308 G C 0.569 175.491 174.900 0.037 0.000 1.266 308 G CA 0.291 45.417 45.100 0.044 0.000 0.844 308 G HN 0.985 nan 8.290 nan 0.000 0.571 309 V N 2.160 122.099 119.914 0.041 0.000 2.509 309 V HA -0.037 4.082 4.120 -0.000 0.000 0.297 309 V C 0.950 177.064 176.094 0.033 0.000 1.014 309 V CA 0.335 62.656 62.300 0.036 0.000 1.127 309 V CB 0.650 32.498 31.823 0.042 0.000 0.925 309 V HN 0.855 nan 8.190 nan 0.000 0.480 310 Q N 4.278 124.093 119.800 0.026 0.000 2.311 310 Q HA 0.443 4.783 4.340 -0.000 0.000 0.272 310 Q C -0.569 175.451 176.000 0.033 0.000 1.012 310 Q CA -0.231 55.587 55.803 0.024 0.000 0.891 310 Q CB 1.186 29.936 28.738 0.019 0.000 1.201 310 Q HN 0.793 nan 8.270 nan 0.000 0.391 311 V N 0.654 120.588 119.914 0.035 0.000 3.007 311 V HA 0.531 4.651 4.120 -0.000 0.000 0.311 311 V C -0.829 175.296 176.094 0.051 0.000 1.120 311 V CA -1.116 61.218 62.300 0.055 0.000 0.980 311 V CB 1.841 33.706 31.823 0.069 0.000 1.033 311 V HN 0.948 nan 8.190 nan 0.000 0.429 312 D N 0.865 121.315 120.400 0.084 0.000 2.447 312 D HA 0.223 4.863 4.640 -0.000 0.000 0.265 312 D C 0.789 177.122 176.300 0.056 0.000 1.250 312 D CA -0.176 53.877 54.000 0.088 0.000 1.046 312 D CB 0.483 41.375 40.800 0.153 0.000 1.095 312 D HN 0.686 nan 8.370 nan 0.000 0.555 313 E N -1.439 118.761 120.200 0.000 0.000 2.331 313 E HA -0.109 4.241 4.350 -0.000 0.000 0.199 313 E C 0.730 177.121 176.600 -0.347 0.000 1.008 313 E CA 0.744 57.031 56.400 -0.189 0.000 0.843 313 E CB -0.268 29.232 29.700 -0.334 0.000 0.761 313 E HN 0.418 nan 8.360 nan 0.000 0.507 314 F N -0.516 119.465 119.950 0.053 0.000 2.641 314 F HA 0.182 4.709 4.527 -0.000 0.000 0.302 314 F C 0.798 176.630 175.800 0.052 0.000 1.098 314 F CA -0.112 57.910 58.000 0.037 0.000 1.318 314 F CB 0.622 39.633 39.000 0.019 0.000 1.035 314 F HN -0.245 nan 8.300 nan 0.000 0.551 315 S N -0.254 115.553 115.700 0.178 0.000 3.315 315 S HA -0.210 4.260 4.470 -0.000 0.000 0.283 315 S C 0.373 175.127 174.600 0.257 0.000 1.279 315 S CA 0.220 58.525 58.200 0.176 0.000 0.984 315 S CB -1.392 61.894 63.200 0.143 0.000 1.184 315 S HN 0.456 nan 8.310 nan 0.000 0.653 316 R N 2.292 122.951 120.500 0.266 0.000 2.308 316 R HA 0.446 4.786 4.340 -0.000 0.000 0.305 316 R C 1.092 177.463 176.300 0.120 0.000 1.053 316 R CA 0.225 56.478 56.100 0.256 0.000 0.957 316 R CB 0.650 31.089 30.300 0.231 0.000 1.022 316 R HN 0.482 nan 8.270 nan 0.000 0.461 317 T N -0.854 113.726 114.554 0.043 0.000 2.689 317 T HA -0.049 4.301 4.350 -0.000 0.000 0.308 317 T C 1.425 176.124 174.700 -0.003 0.000 1.021 317 T CA -0.419 61.687 62.100 0.009 0.000 0.973 317 T CB 0.450 69.303 68.868 -0.026 0.000 1.113 317 T HN 0.712 nan 8.240 nan 0.000 0.522 318 N N -0.350 118.346 118.700 -0.007 0.000 2.381 318 N HA -0.061 4.679 4.740 -0.000 0.000 0.182 318 N C 0.185 175.677 175.510 -0.030 0.000 1.025 318 N CA 0.351 53.395 53.050 -0.010 0.000 0.888 318 N CB -0.545 37.939 38.487 -0.005 0.000 0.965 318 N HN 0.406 nan 8.380 nan 0.000 0.438 319 V N 2.590 122.471 119.914 -0.054 0.000 2.350 319 V HA 0.311 4.431 4.120 -0.000 0.000 0.276 319 V C -2.212 173.811 176.094 -0.118 0.000 1.028 319 V CA -1.790 60.467 62.300 -0.073 0.000 0.860 319 V CB 1.261 33.041 31.823 -0.072 0.000 0.990 319 V HN -0.017 nan 8.190 nan 0.000 0.453 320 P HA 0.075 nan 4.420 nan 0.000 0.263 320 P C 0.394 177.579 177.300 -0.191 0.000 1.175 320 P CA 0.718 63.750 63.100 -0.112 0.000 0.761 320 P CB 0.173 31.834 31.700 -0.065 0.000 0.794 321 N N 0.119 118.655 118.700 -0.274 0.000 2.936 321 N HA -0.178 4.561 4.740 -0.000 0.000 0.236 321 N C -0.511 174.607 175.510 -0.653 0.000 0.930 321 N CA 1.072 53.905 53.050 -0.362 0.000 0.966 321 N CB -1.864 36.477 38.487 -0.243 0.000 1.090 321 N HN 0.402 nan 8.380 nan 0.000 0.592 322 I N 0.948 121.105 120.570 -0.687 0.000 2.378 322 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 322 I C -0.409 175.330 176.117 -0.629 0.000 0.992 322 I CA -0.784 60.201 61.300 -0.526 0.000 1.154 322 I CB 0.822 38.694 38.000 -0.214 0.000 1.315 322 I HN -0.099 nan 8.210 nan 0.000 0.448 323 Y N 4.266 124.599 120.300 0.056 0.000 2.562 323 Y HA 0.823 5.373 4.550 -0.000 0.000 0.343 323 Y C 0.085 176.015 175.900 0.050 0.000 1.025 323 Y CA -1.238 56.892 58.100 0.050 0.000 1.082 323 Y CB 1.796 40.281 38.460 0.041 0.000 1.264 323 Y HN 0.523 nan 8.280 nan 0.000 0.478 324 A N 2.510 125.457 122.820 0.212 0.000 2.408 324 A HA 0.813 5.133 4.320 -0.000 0.000 0.295 324 A C -1.110 176.553 177.584 0.131 0.000 1.040 324 A CA -0.583 51.539 52.037 0.141 0.000 0.707 324 A CB 0.523 19.580 19.000 0.096 0.000 1.235 324 A HN 0.792 nan 8.150 nan 0.000 0.418 325 I N -0.314 120.327 120.570 0.118 0.000 3.002 325 I HA 0.976 5.145 4.170 -0.000 0.000 0.310 325 I C 0.527 176.704 176.117 0.101 0.000 1.087 325 I CA -0.183 61.181 61.300 0.106 0.000 1.017 325 I CB 2.150 40.208 38.000 0.097 0.000 1.226 325 I HN 1.811 nan 8.210 nan 0.000 0.443 326 G N 3.099 111.962 108.800 0.104 0.000 2.542 326 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.235 326 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.235 326 G C -0.026 174.937 174.900 0.105 0.000 1.286 326 G CA 0.455 45.618 45.100 0.104 0.000 0.904 326 G HN 0.788 nan 8.290 nan 0.000 0.577 327 D N -0.206 120.261 120.400 0.111 0.000 2.218 327 D HA -0.039 4.601 4.640 -0.000 0.000 0.204 327 D C 2.318 178.683 176.300 0.108 0.000 0.976 327 D CA 1.032 55.102 54.000 0.117 0.000 0.853 327 D CB -0.079 40.804 40.800 0.139 0.000 0.939 327 D HN 0.465 nan 8.370 nan 0.000 0.481 328 I N 0.985 121.616 120.570 0.102 0.000 2.700 328 I HA -0.224 3.946 4.170 -0.000 0.000 0.261 328 I C 1.657 177.820 176.117 0.077 0.000 1.219 328 I CA 1.271 62.625 61.300 0.091 0.000 1.463 328 I CB 0.014 38.064 38.000 0.083 0.000 1.092 328 I HN 0.037 nan 8.210 nan 0.000 0.452 329 T N -3.452 111.146 114.554 0.073 0.000 3.129 329 T HA 0.005 4.354 4.350 -0.000 0.000 0.251 329 T C 0.970 175.695 174.700 0.042 0.000 1.117 329 T CA 0.467 62.599 62.100 0.054 0.000 1.034 329 T CB -0.170 68.727 68.868 0.048 0.000 0.968 329 T HN 0.414 nan 8.240 nan 0.000 0.526 330 D N 0.306 120.741 120.400 0.059 0.000 2.837 330 D HA -0.162 4.477 4.640 -0.000 0.000 0.230 330 D C 0.830 177.151 176.300 0.035 0.000 1.152 330 D CA 0.524 54.558 54.000 0.057 0.000 0.736 330 D CB -0.733 40.099 40.800 0.052 0.000 1.084 330 D HN 0.445 nan 8.370 nan 0.000 0.429 331 R N -0.666 119.848 120.500 0.024 0.000 1.728 331 R HA 0.408 4.748 4.340 -0.000 0.000 0.126 331 R C 0.519 176.838 176.300 0.032 0.000 2.075 331 R CA -0.319 55.773 56.100 -0.012 0.000 1.805 331 R CB -0.277 29.961 30.300 -0.103 0.000 1.352 331 R HN 0.145 nan 8.270 nan 0.000 0.493 332 L N 3.072 124.335 121.223 0.067 0.000 2.278 332 L HA 0.294 4.634 4.340 -0.000 0.000 0.287 332 L C 0.157 177.086 176.870 0.099 0.000 1.072 332 L CA 0.044 54.939 54.840 0.091 0.000 0.819 332 L CB 0.971 43.109 42.059 0.131 0.000 1.176 332 L HN 0.310 nan 8.230 nan 0.000 0.435 333 M N 6.688 126.347 119.600 0.098 0.000 2.923 333 M HA 0.373 4.852 4.480 -0.000 0.000 0.311 333 M C -0.955 175.409 176.300 0.106 0.000 1.376 333 M CA 0.164 55.538 55.300 0.123 0.000 1.468 333 M CB -0.034 32.664 32.600 0.164 0.000 1.151 333 M HN 0.453 nan 8.290 nan 0.000 0.517 334 L N -0.114 121.160 121.223 0.085 0.000 2.434 334 L HA 0.396 4.736 4.340 -0.000 0.000 0.260 334 L C 1.106 178.017 176.870 0.068 0.000 0.983 334 L CA -0.495 54.380 54.840 0.057 0.000 0.820 334 L CB 2.426 44.498 42.059 0.022 0.000 1.361 334 L HN 0.297 nan 8.230 nan 0.000 0.410 335 T N 1.008 115.601 114.554 0.066 0.000 2.652 335 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 335 T C -1.170 173.559 174.700 0.049 0.000 1.039 335 T CA 1.826 63.964 62.100 0.064 0.000 1.153 335 T CB -0.495 68.410 68.868 0.063 0.000 0.863 335 T HN 0.463 nan 8.240 nan 0.000 0.428 336 P HA 0.048 nan 4.420 nan 0.000 0.221 336 P C 1.496 178.805 177.300 0.014 0.000 1.150 336 P CA 0.446 63.560 63.100 0.023 0.000 0.800 336 P CB -0.122 31.587 31.700 0.015 0.000 0.787 337 V N 0.116 120.040 119.914 0.018 0.000 2.427 337 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 337 V C 2.434 178.547 176.094 0.033 0.000 1.051 337 V CA 2.146 64.450 62.300 0.007 0.000 1.048 337 V CB -1.609 30.235 31.823 0.035 0.000 0.666 337 V HN 0.097 nan 8.190 nan 0.000 0.456 338 A N 0.085 122.940 122.820 0.058 0.000 1.898 338 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 338 A C 2.163 179.782 177.584 0.059 0.000 1.181 338 A CA 1.662 53.741 52.037 0.071 0.000 0.620 338 A CB -0.503 18.545 19.000 0.080 0.000 0.819 338 A HN 0.484 nan 8.150 nan 0.000 0.442 339 I N 0.192 120.792 120.570 0.051 0.000 2.151 339 I HA -0.321 3.848 4.170 -0.000 0.000 0.243 339 I C 2.554 178.694 176.117 0.039 0.000 1.080 339 I CA 1.684 63.013 61.300 0.048 0.000 1.339 339 I CB -0.499 37.525 38.000 0.040 0.000 1.039 339 I HN 0.470 nan 8.210 nan 0.000 0.409 340 N N 1.004 119.714 118.700 0.017 0.000 2.120 340 N HA -0.219 4.521 4.740 -0.000 0.000 0.188 340 N C 1.759 177.270 175.510 0.001 0.000 1.024 340 N CA 1.631 54.679 53.050 -0.002 0.000 0.852 340 N CB 0.016 38.478 38.487 -0.041 0.000 1.003 340 N HN 0.450 nan 8.380 nan 0.000 0.424 341 E N -0.369 119.836 120.200 0.008 0.000 2.058 341 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 341 E C 1.991 178.611 176.600 0.034 0.000 0.997 341 E CA 1.171 57.588 56.400 0.028 0.000 0.801 341 E CB -0.355 29.385 29.700 0.068 0.000 0.746 341 E HN 0.464 nan 8.360 nan 0.000 0.450 342 G N 1.052 109.881 108.800 0.049 0.000 2.418 342 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.217 342 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.217 342 G C 1.682 176.616 174.900 0.056 0.000 1.158 342 G CA 0.863 45.997 45.100 0.057 0.000 0.771 342 G HN 0.348 nan 8.290 nan 0.000 0.545 343 A N 1.147 124.006 122.820 0.066 0.000 1.898 343 A HA 0.347 4.666 4.320 -0.000 0.000 0.216 343 A C 2.780 180.395 177.584 0.053 0.000 1.181 343 A CA 2.085 54.171 52.037 0.081 0.000 0.620 343 A CB -0.746 18.306 19.000 0.086 0.000 0.819 343 A HN 0.772 nan 8.150 nan 0.000 0.442 344 A N -0.720 122.117 122.820 0.028 0.000 2.015 344 A HA 0.062 4.382 4.320 -0.000 0.000 0.219 344 A C 2.096 179.677 177.584 -0.004 0.000 1.163 344 A CA 1.582 53.632 52.037 0.022 0.000 0.646 344 A CB -0.473 18.534 19.000 0.012 0.000 0.806 344 A HN 0.685 nan 8.150 nan 0.000 0.448 345 L N -0.558 120.638 121.223 -0.045 0.000 2.049 345 L HA -0.009 4.330 4.340 -0.000 0.000 0.203 345 L C 2.277 178.981 176.870 -0.278 0.000 1.074 345 L CA 1.723 56.470 54.840 -0.156 0.000 0.749 345 L CB -0.492 41.467 42.059 -0.167 0.000 0.907 345 L HN 0.082 nan 8.230 nan 0.000 0.439 346 V N 0.335 120.141 119.914 -0.181 0.000 2.407 346 V HA -0.271 3.848 4.120 -0.000 0.000 0.248 346 V C 2.232 178.197 176.094 -0.214 0.000 1.055 346 V CA 1.891 64.084 62.300 -0.178 0.000 1.049 346 V CB -0.895 30.973 31.823 0.076 0.000 0.662 346 V HN 0.480 nan 8.190 nan 0.000 0.455 347 D N -0.110 120.248 120.400 -0.070 0.000 2.117 347 D HA -0.129 4.510 4.640 -0.000 0.000 0.197 347 D C 2.303 178.515 176.300 -0.146 0.000 0.987 347 D CA 1.825 55.802 54.000 -0.038 0.000 0.829 347 D CB -0.293 40.551 40.800 0.072 0.000 0.961 347 D HN 0.391 nan 8.370 nan 0.000 0.460 348 T N -0.228 114.228 114.554 -0.164 0.000 2.857 348 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 348 T C 2.037 176.548 174.700 -0.315 0.000 1.048 348 T CA 0.493 62.488 62.100 -0.176 0.000 1.139 348 T CB 0.137 68.948 68.868 -0.095 0.000 0.874 348 T HN -0.021 nan 8.240 nan 0.000 0.455 349 V N -0.218 119.379 119.914 -0.529 0.000 3.307 349 V HA 0.187 4.307 4.120 -0.000 0.000 0.253 349 V C 1.259 176.875 176.094 -0.797 0.000 1.149 349 V CA 0.934 62.771 62.300 -0.771 0.000 1.112 349 V CB -0.213 30.890 31.823 -1.200 0.000 0.777 349 V HN 0.376 nan 8.190 nan 0.000 0.464 350 F N -0.160 119.485 119.950 -0.510 0.000 2.752 350 F HA 0.547 5.073 4.527 -0.000 0.000 0.310 350 F C 1.369 176.714 175.800 -0.759 0.000 1.097 350 F CA -0.133 57.501 58.000 -0.611 0.000 1.238 350 F CB -0.256 38.339 39.000 -0.675 0.000 1.061 350 F HN 0.121 nan 8.300 nan 0.000 0.591 351 G N -0.661 107.770 108.800 -0.616 0.000 2.795 351 G HA2 0.353 4.313 3.960 -0.000 0.000 0.267 351 G HA3 0.353 4.313 3.960 -0.000 0.000 0.267 351 G C -1.144 173.713 174.900 -0.071 0.000 1.362 351 G CA -0.432 44.559 45.100 -0.181 0.000 1.048 351 G HN -0.024 nan 8.290 nan 0.000 0.547 352 N N -0.031 118.683 118.700 0.025 0.000 2.607 352 N HA 0.319 5.059 4.740 -0.000 0.000 0.271 352 N C -1.585 173.934 175.510 0.014 0.000 1.142 352 N CA -0.304 52.742 53.050 -0.007 0.000 0.810 352 N CB 1.055 39.538 38.487 -0.008 0.000 1.306 352 N HN 0.462 nan 8.380 nan 0.000 0.536 353 K N 2.768 123.172 120.400 0.007 0.000 2.618 353 K HA 0.245 4.565 4.320 -0.000 0.000 0.322 353 K C -2.893 173.720 176.600 0.023 0.000 1.267 353 K CA -0.902 55.399 56.287 0.024 0.000 1.083 353 K CB 1.543 34.072 32.500 0.047 0.000 1.386 353 K HN 0.193 nan 8.250 nan 0.000 0.509 354 P HA 0.020 nan 4.420 nan 0.000 0.265 354 P C -1.049 176.361 177.300 0.184 0.000 1.187 354 P CA 0.131 63.261 63.100 0.049 0.000 0.766 354 P CB 0.556 32.209 31.700 -0.078 0.000 0.820 355 R N 2.218 122.871 120.500 0.254 0.000 2.564 355 R HA 0.298 4.638 4.340 -0.000 0.000 0.284 355 R C -0.387 175.992 176.300 0.132 0.000 1.031 355 R CA -0.855 55.346 56.100 0.169 0.000 0.904 355 R CB 2.102 32.452 30.300 0.084 0.000 1.199 355 R HN 0.491 nan 8.270 nan 0.000 0.443 356 K N 1.113 121.491 120.400 -0.037 0.000 2.207 356 K HA 0.423 4.743 4.320 -0.000 0.000 0.255 356 K C -0.612 175.904 176.600 -0.140 0.000 0.941 356 K CA -0.784 55.364 56.287 -0.231 0.000 0.825 356 K CB 2.030 34.189 32.500 -0.567 0.000 1.119 356 K HN 0.177 nan 8.250 nan 0.000 0.430 357 T N 2.154 116.623 114.554 -0.142 0.000 2.834 357 T HA -0.030 4.320 4.350 -0.000 0.000 0.298 357 T C -0.462 174.081 174.700 -0.262 0.000 0.966 357 T CA 0.120 62.092 62.100 -0.213 0.000 1.141 357 T CB 0.424 69.121 68.868 -0.286 0.000 0.905 357 T HN 0.566 nan 8.240 nan 0.000 0.535 358 D N 1.435 121.705 120.400 -0.217 0.000 2.316 358 D HA 0.036 4.675 4.640 -0.000 0.000 0.245 358 D C 0.869 177.038 176.300 -0.218 0.000 1.171 358 D CA -0.250 53.666 54.000 -0.140 0.000 0.856 358 D CB 0.449 41.206 40.800 -0.071 0.000 1.090 358 D HN 0.579 nan 8.370 nan 0.000 0.476 359 H N 2.132 121.186 119.070 -0.026 0.000 2.539 359 H HA 0.085 4.641 4.556 -0.000 0.000 0.269 359 H C 0.573 175.893 175.328 -0.013 0.000 0.980 359 H CA 0.238 56.275 56.048 -0.018 0.000 1.152 359 H CB 0.288 30.038 29.762 -0.019 0.000 1.407 359 H HN 0.427 nan 8.280 nan 0.000 0.564 360 T N -1.371 113.224 114.554 0.069 0.000 2.918 360 T HA 0.279 4.628 4.350 -0.000 0.000 0.283 360 T C 0.628 175.339 174.700 0.018 0.000 1.001 360 T CA -0.801 61.326 62.100 0.045 0.000 1.041 360 T CB 1.649 70.544 68.868 0.045 0.000 1.028 360 T HN 0.308 nan 8.240 nan 0.000 0.511 361 R N -0.639 119.870 120.500 0.015 0.000 3.516 361 R HA -0.097 4.243 4.340 -0.000 0.000 0.271 361 R C -0.564 175.730 176.300 -0.009 0.000 1.098 361 R CA 0.330 56.431 56.100 0.002 0.000 0.732 361 R CB -2.506 27.797 30.300 0.006 0.000 1.152 361 R HN 0.546 nan 8.270 nan 0.000 0.455 362 V N 0.963 120.871 119.914 -0.010 0.000 2.432 362 V HA 0.480 4.599 4.120 -0.000 0.000 0.271 362 V C 1.104 177.185 176.094 -0.021 0.000 1.046 362 V CA -0.072 62.218 62.300 -0.017 0.000 0.945 362 V CB 1.463 33.277 31.823 -0.014 0.000 0.992 362 V HN 0.402 nan 8.190 nan 0.000 0.471 363 A N 4.914 127.723 122.820 -0.018 0.000 2.388 363 A HA 0.739 5.059 4.320 -0.000 0.000 0.257 363 A C 0.450 178.022 177.584 -0.020 0.000 1.095 363 A CA 0.197 52.223 52.037 -0.019 0.000 0.791 363 A CB 0.461 19.454 19.000 -0.010 0.000 1.029 363 A HN 1.204 nan 8.150 nan 0.000 0.489 364 S N 0.060 115.746 115.700 -0.024 0.000 2.625 364 S HA 0.879 5.349 4.470 -0.000 0.000 0.271 364 S C -0.620 173.951 174.600 -0.048 0.000 1.161 364 S CA -0.138 58.040 58.200 -0.035 0.000 0.820 364 S CB 1.442 64.610 63.200 -0.052 0.000 1.137 364 S HN 2.254 nan 8.310 nan 0.000 0.470 365 A N 0.354 123.104 122.820 -0.117 0.000 2.515 365 A HA 0.855 5.175 4.320 -0.000 0.000 0.296 365 A C -1.359 176.018 177.584 -0.345 0.000 1.094 365 A CA -0.842 51.022 52.037 -0.288 0.000 0.718 365 A CB 1.766 20.460 19.000 -0.511 0.000 1.307 365 A HN 1.273 nan 8.150 nan 0.000 0.408 366 V N 1.047 120.697 119.914 -0.441 0.000 2.444 366 V HA 0.349 4.469 4.120 -0.000 0.000 0.294 366 V C -0.943 174.876 176.094 -0.458 0.000 1.022 366 V CA -0.098 62.001 62.300 -0.335 0.000 0.850 366 V CB 1.192 32.816 31.823 -0.331 0.000 0.992 366 V HN 0.767 nan 8.190 nan 0.000 0.426 367 F N 2.894 122.831 119.950 -0.022 0.000 2.913 367 F HA 0.191 4.717 4.527 -0.001 0.000 0.306 367 F C 1.561 177.325 175.800 -0.059 0.000 1.205 367 F CA -0.251 57.726 58.000 -0.039 0.000 1.359 367 F CB -0.159 38.821 39.000 -0.032 0.000 1.260 367 F HN 0.564 nan 8.300 nan 0.000 0.545 368 S N -0.131 115.557 115.700 -0.021 0.000 2.596 368 S HA 0.493 4.963 4.470 -0.000 0.000 0.260 368 S C -0.192 174.391 174.600 -0.028 0.000 1.336 368 S CA -0.606 57.570 58.200 -0.040 0.000 0.993 368 S CB 1.274 64.414 63.200 -0.100 0.000 0.923 368 S HN 0.254 nan 8.310 nan 0.000 0.567 369 I N 2.070 122.623 120.570 -0.029 0.000 2.382 369 I HA 0.360 4.529 4.170 -0.000 0.000 0.286 369 I C -2.325 173.777 176.117 -0.025 0.000 1.002 369 I CA -2.424 58.860 61.300 -0.026 0.000 1.135 369 I CB 1.801 39.788 38.000 -0.022 0.000 1.288 369 I HN 0.480 nan 8.210 nan 0.000 0.448 370 P HA 0.222 nan 4.420 nan 0.000 0.272 370 P C -2.546 174.700 177.300 -0.090 0.000 1.240 370 P CA -1.062 62.002 63.100 -0.059 0.000 0.791 370 P CB -0.103 31.551 31.700 -0.076 0.000 0.978 371 P HA 0.393 nan 4.420 nan 0.000 0.281 371 P C -0.662 176.508 177.300 -0.218 0.000 1.281 371 P CA -0.232 62.765 63.100 -0.171 0.000 0.811 371 P CB 1.131 32.719 31.700 -0.186 0.000 1.154 372 I N -0.552 119.853 120.570 -0.275 0.000 2.530 372 I HA 0.597 4.767 4.170 -0.000 0.000 0.297 372 I C 0.428 176.426 176.117 -0.198 0.000 1.011 372 I CA -0.594 60.572 61.300 -0.224 0.000 1.107 372 I CB 2.230 40.084 38.000 -0.243 0.000 1.285 372 I HN 0.380 nan 8.210 nan 0.000 0.436 373 G N 2.179 110.913 108.800 -0.111 0.000 2.643 373 G HA2 0.597 4.556 3.960 -0.000 0.000 0.305 373 G HA3 0.597 4.556 3.960 -0.000 0.000 0.305 373 G C -1.263 173.638 174.900 0.003 0.000 1.387 373 G CA -0.348 44.711 45.100 -0.068 0.000 0.982 373 G HN 0.473 nan 8.290 nan 0.000 0.501 374 T N -0.390 114.182 114.554 0.031 0.000 2.916 374 T HA 0.565 4.915 4.350 -0.000 0.000 0.305 374 T C -1.401 173.284 174.700 -0.025 0.000 1.119 374 T CA -0.510 61.620 62.100 0.050 0.000 1.008 374 T CB 1.550 70.569 68.868 0.251 0.000 1.129 374 T HN 1.021 nan 8.240 nan 0.000 0.480 375 C N 3.726 122.960 119.300 -0.109 0.000 2.551 375 C HA 0.888 5.347 4.460 -0.000 0.000 0.332 375 C C 0.799 175.719 174.990 -0.116 0.000 1.139 375 C CA 1.153 60.120 59.018 -0.085 0.000 1.328 375 C CB -0.076 27.623 27.740 -0.069 0.000 1.903 375 C HN 1.666 nan 8.230 nan 0.000 0.459 376 G N 4.628 113.405 108.800 -0.038 0.000 2.508 376 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.220 376 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.220 376 G C -1.038 173.901 174.900 0.065 0.000 1.287 376 G CA -0.246 44.848 45.100 -0.010 0.000 0.916 376 G HN 1.059 nan 8.290 nan 0.000 0.574 377 L N 1.291 122.561 121.223 0.079 0.000 2.350 377 L HA 0.591 4.931 4.340 -0.000 0.000 0.275 377 L C 1.417 178.415 176.870 0.215 0.000 1.099 377 L CA -0.792 54.115 54.840 0.111 0.000 0.808 377 L CB 1.051 43.160 42.059 0.084 0.000 1.149 377 L HN 0.715 nan 8.230 nan 0.000 0.442 378 I N -0.878 119.723 120.570 0.051 0.000 2.886 378 I HA 0.140 4.310 4.170 -0.000 0.000 0.299 378 I C 1.337 177.426 176.117 -0.047 0.000 1.044 378 I CA -0.512 60.721 61.300 -0.111 0.000 1.310 378 I CB 0.680 38.528 38.000 -0.253 0.000 1.441 378 I HN 0.825 nan 8.210 nan 0.000 0.578 379 E N 2.299 122.459 120.200 -0.067 0.000 2.152 379 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 379 E C 1.333 177.741 176.600 -0.319 0.000 0.983 379 E CA 1.161 57.498 56.400 -0.105 0.000 0.818 379 E CB -0.293 29.429 29.700 0.037 0.000 0.758 379 E HN 0.844 nan 8.360 nan 0.000 0.467 380 E N 1.820 121.871 120.200 -0.248 0.000 2.204 380 E HA -0.112 4.237 4.350 -0.000 0.000 0.194 380 E C 2.235 178.743 176.600 -0.154 0.000 0.989 380 E CA 1.106 57.351 56.400 -0.258 0.000 0.824 380 E CB -0.374 29.249 29.700 -0.128 0.000 0.756 380 E HN 0.281 nan 8.360 nan 0.000 0.477 381 V N 1.992 121.853 119.914 -0.088 0.000 2.379 381 V HA -0.117 4.002 4.120 -0.000 0.000 0.245 381 V C 2.744 178.853 176.094 0.026 0.000 1.044 381 V CA 1.579 63.862 62.300 -0.028 0.000 1.036 381 V CB -0.831 30.987 31.823 -0.009 0.000 0.664 381 V HN 0.392 nan 8.190 nan 0.000 0.453 382 A N 0.514 123.358 122.820 0.040 0.000 1.908 382 A HA -0.152 4.167 4.320 -0.000 0.000 0.218 382 A C 2.419 180.101 177.584 0.164 0.000 1.181 382 A CA 2.144 54.284 52.037 0.171 0.000 0.627 382 A CB -0.871 18.172 19.000 0.072 0.000 0.818 382 A HN 0.586 nan 8.150 nan 0.000 0.445 383 A N -0.543 122.242 122.820 -0.057 0.000 2.024 383 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 383 A C 2.044 179.643 177.584 0.025 0.000 1.164 383 A CA 1.754 53.755 52.037 -0.060 0.000 0.643 383 A CB -0.363 18.414 19.000 -0.371 0.000 0.806 383 A HN 0.560 nan 8.150 nan 0.000 0.451 384 K N -0.443 119.958 120.400 0.003 0.000 2.365 384 K HA -0.042 4.278 4.320 -0.000 0.000 0.197 384 K C 1.287 177.870 176.600 -0.029 0.000 1.042 384 K CA 1.120 57.406 56.287 -0.002 0.000 0.987 384 K CB 0.099 32.590 32.500 -0.015 0.000 0.779 384 K HN 0.777 nan 8.250 nan 0.000 0.484 385 E N -0.293 119.884 120.200 -0.039 0.000 2.431 385 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 385 E C -0.165 176.122 176.600 -0.522 0.000 0.995 385 E CA 0.112 56.346 56.400 -0.278 0.000 0.915 385 E CB 0.293 29.755 29.700 -0.397 0.000 0.930 385 E HN 0.027 nan 8.360 nan 0.000 0.496 386 F N 1.399 121.369 119.950 0.033 0.000 2.520 386 F HA 0.238 4.764 4.527 -0.000 0.000 0.322 386 F C 1.430 177.272 175.800 0.070 0.000 1.103 386 F CA -1.038 56.994 58.000 0.054 0.000 0.926 386 F CB 2.235 41.276 39.000 0.067 0.000 1.154 386 F HN -0.184 nan 8.300 nan 0.000 0.453 387 E N 1.871 122.199 120.200 0.213 0.000 2.106 387 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 387 E C -0.262 176.459 176.600 0.202 0.000 0.984 387 E CA 1.256 57.753 56.400 0.162 0.000 0.806 387 E CB 0.316 30.087 29.700 0.118 0.000 0.750 387 E HN 0.503 nan 8.360 nan 0.000 0.458 388 K N 0.442 120.990 120.400 0.246 0.000 2.413 388 K HA 0.430 4.750 4.320 -0.000 0.000 0.257 388 K C -1.698 175.085 176.600 0.305 0.000 0.946 388 K CA -0.659 55.787 56.287 0.266 0.000 0.823 388 K CB 2.773 35.421 32.500 0.247 0.000 1.109 388 K HN -0.133 nan 8.250 nan 0.000 0.427 389 V N 1.999 122.104 119.914 0.318 0.000 2.588 389 V HA 0.672 4.792 4.120 -0.000 0.000 0.304 389 V C -0.698 175.533 176.094 0.229 0.000 1.042 389 V CA -0.894 61.561 62.300 0.259 0.000 0.877 389 V CB 1.758 33.731 31.823 0.250 0.000 0.996 389 V HN 0.900 nan 8.190 nan 0.000 0.425 390 A N 4.109 126.983 122.820 0.090 0.000 2.340 390 A HA 0.918 5.237 4.320 -0.000 0.000 0.331 390 A C -0.927 176.510 177.584 -0.245 0.000 1.140 390 A CA -0.605 51.270 52.037 -0.269 0.000 0.801 390 A CB 1.750 20.475 19.000 -0.457 0.000 1.234 390 A HN 0.710 nan 8.150 nan 0.000 0.469 391 V N 2.354 121.923 119.914 -0.574 0.000 2.407 391 V HA 0.321 4.441 4.120 -0.000 0.000 0.291 391 V C -1.337 174.395 176.094 -0.603 0.000 1.018 391 V CA -0.300 61.712 62.300 -0.480 0.000 0.842 391 V CB 0.681 32.067 31.823 -0.728 0.000 0.996 391 V HN 0.773 nan 8.190 nan 0.000 0.426 392 Y N 4.985 125.099 120.300 -0.310 0.000 2.330 392 Y HA 0.712 5.262 4.550 -0.000 0.000 0.336 392 Y C 0.232 176.039 175.900 -0.155 0.000 1.036 392 Y CA -0.530 57.433 58.100 -0.229 0.000 1.125 392 Y CB 1.731 40.097 38.460 -0.156 0.000 1.194 392 Y HN 0.597 nan 8.280 nan 0.000 0.469 393 M N 3.411 123.016 119.600 0.008 0.000 2.326 393 M HA 0.556 5.036 4.480 -0.000 0.000 0.292 393 M C -1.521 174.840 176.300 0.101 0.000 1.081 393 M CA -0.371 54.956 55.300 0.046 0.000 0.919 393 M CB 1.844 34.455 32.600 0.018 0.000 1.634 393 M HN 0.580 nan 8.290 nan 0.000 0.451 394 S N 2.904 118.698 115.700 0.156 0.000 2.538 394 S HA 0.798 5.267 4.470 -0.000 0.000 0.288 394 S C -1.554 173.208 174.600 0.270 0.000 1.108 394 S CA -0.411 57.933 58.200 0.240 0.000 0.971 394 S CB 1.962 65.341 63.200 0.298 0.000 1.041 394 S HN 0.814 nan 8.310 nan 0.000 0.483 395 S N 3.591 119.476 115.700 0.307 0.000 2.546 395 S HA 0.889 5.359 4.470 -0.000 0.000 0.272 395 S C -1.558 173.221 174.600 0.299 0.000 1.140 395 S CA -0.659 57.646 58.200 0.176 0.000 0.920 395 S CB 0.515 63.766 63.200 0.085 0.000 1.083 395 S HN 1.227 nan 8.310 nan 0.000 0.476 396 F N -0.525 119.499 119.950 0.124 0.000 2.765 396 F HA 0.450 4.977 4.527 -0.000 0.000 0.313 396 F C -0.746 175.126 175.800 0.121 0.000 1.136 396 F CA -0.992 57.069 58.000 0.103 0.000 0.952 396 F CB 0.424 39.479 39.000 0.093 0.000 1.268 396 F HN 0.287 nan 8.300 nan 0.000 0.441 397 T N 3.602 118.239 114.554 0.139 0.000 2.769 397 T HA 0.379 4.728 4.350 -0.000 0.000 0.293 397 T C -2.497 172.394 174.700 0.318 0.000 0.931 397 T CA -0.653 61.517 62.100 0.117 0.000 1.139 397 T CB 0.288 69.223 68.868 0.113 0.000 0.881 397 T HN 0.341 nan 8.240 nan 0.000 0.532 398 P HA 0.053 nan 4.420 nan 0.000 0.267 398 P C 0.974 178.410 177.300 0.226 0.000 1.200 398 P CA -0.549 62.759 63.100 0.346 0.000 0.772 398 P CB 0.488 32.316 31.700 0.213 0.000 0.855 399 L N 4.149 125.477 121.223 0.175 0.000 2.042 399 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 399 L C 2.125 179.047 176.870 0.086 0.000 1.076 399 L CA 1.988 56.894 54.840 0.109 0.000 0.749 399 L CB -1.342 40.761 42.059 0.074 0.000 0.893 399 L HN 0.470 nan 8.230 nan 0.000 0.432 400 M N -1.986 117.651 119.600 0.062 0.000 2.195 400 M HA -0.234 4.246 4.480 -0.000 0.000 0.260 400 M C 1.686 177.994 176.300 0.014 0.000 1.066 400 M CA 2.012 57.358 55.300 0.078 0.000 1.089 400 M CB -0.836 31.744 32.600 -0.033 0.000 1.377 400 M HN 0.235 nan 8.290 nan 0.000 0.411 401 H N 0.546 119.685 119.070 0.116 0.000 2.551 401 H HA 0.181 4.737 4.556 -0.000 0.000 0.266 401 H C 1.342 176.680 175.328 0.016 0.000 0.964 401 H CA 0.709 56.786 56.048 0.048 0.000 1.180 401 H CB -0.228 29.517 29.762 -0.028 0.000 1.408 401 H HN 0.591 nan 8.280 nan 0.000 0.563 402 N N 0.696 119.474 118.700 0.129 0.000 2.270 402 N HA -0.063 4.677 4.740 -0.000 0.000 0.181 402 N C 1.973 177.490 175.510 0.011 0.000 1.016 402 N CA 0.540 53.629 53.050 0.066 0.000 0.870 402 N CB 0.189 38.710 38.487 0.056 0.000 0.979 402 N HN 0.357 nan 8.380 nan 0.000 0.431 403 I N 1.017 121.568 120.570 -0.033 0.000 2.353 403 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 403 I C 2.352 178.356 176.117 -0.187 0.000 1.119 403 I CA 0.866 62.042 61.300 -0.207 0.000 1.417 403 I CB -0.219 37.511 38.000 -0.449 0.000 1.078 403 I HN 0.118 nan 8.210 nan 0.000 0.421 404 S N 0.379 116.097 115.700 0.029 0.000 2.453 404 S HA 0.029 4.498 4.470 -0.000 0.000 0.231 404 S C 1.842 176.521 174.600 0.132 0.000 1.005 404 S CA 0.756 59.075 58.200 0.198 0.000 0.949 404 S CB -0.056 63.392 63.200 0.414 0.000 0.774 404 S HN 0.622 nan 8.310 nan 0.000 0.510 405 G N 0.267 109.120 108.800 0.088 0.000 2.175 405 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.244 405 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.244 405 G C 0.375 175.314 174.900 0.065 0.000 0.982 405 G CA 0.175 45.319 45.100 0.072 0.000 0.641 405 G HN 0.662 nan 8.290 nan 0.000 0.527 406 S N 0.978 116.686 115.700 0.013 0.000 3.983 406 S HA 0.278 4.748 4.470 -0.000 0.000 0.194 406 S C 1.597 175.941 174.600 -0.427 0.000 1.464 406 S CA 0.146 58.160 58.200 -0.309 0.000 1.021 406 S CB 0.456 63.320 63.200 -0.560 0.000 1.424 406 S HN 0.541 nan 8.310 nan 0.000 0.473 407 K N 0.613 120.943 120.400 -0.118 0.000 2.209 407 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 407 K C 1.479 178.049 176.600 -0.050 0.000 1.048 407 K CA 1.273 57.537 56.287 -0.038 0.000 0.940 407 K CB -0.273 32.258 32.500 0.052 0.000 0.729 407 K HN 0.792 nan 8.250 nan 0.000 0.451 408 Y N 0.540 120.824 120.300 -0.027 0.000 2.569 408 Y HA -0.010 4.540 4.550 -0.000 0.000 0.293 408 Y C 0.192 176.046 175.900 -0.078 0.000 1.144 408 Y CA 0.234 58.307 58.100 -0.044 0.000 1.321 408 Y CB -0.512 37.918 38.460 -0.050 0.000 0.982 408 Y HN -0.245 nan 8.280 nan 0.000 0.558 409 K N 2.844 122.932 120.400 -0.520 0.000 2.155 409 K HA 0.105 4.425 4.320 -0.000 0.000 0.240 409 K C -0.393 176.092 176.600 -0.192 0.000 1.193 409 K CA 0.091 56.117 56.287 -0.435 0.000 1.104 409 K CB 0.038 32.034 32.500 -0.840 0.000 1.558 409 K HN 0.318 nan 8.250 nan 0.000 0.313 410 K N 1.676 122.006 120.400 -0.116 0.000 2.276 410 K HA 0.108 4.428 4.320 -0.000 0.000 0.283 410 K C -0.221 176.274 176.600 -0.174 0.000 1.044 410 K CA -0.454 55.757 56.287 -0.128 0.000 0.944 410 K CB 0.554 33.004 32.500 -0.084 0.000 1.012 410 K HN 0.185 nan 8.250 nan 0.000 0.472 411 F N 3.262 122.967 119.950 -0.409 0.000 2.456 411 F HA 0.113 4.640 4.527 -0.000 0.000 0.358 411 F C -0.273 175.324 175.800 -0.339 0.000 1.095 411 F CA -0.253 57.514 58.000 -0.388 0.000 1.216 411 F CB 0.694 39.375 39.000 -0.532 0.000 1.125 411 F HN 0.084 nan 8.300 nan 0.000 0.549 412 V N 5.513 125.086 119.914 -0.568 0.000 2.448 412 V HA 0.747 4.867 4.120 -0.000 0.000 0.295 412 V C -0.397 175.557 176.094 -0.232 0.000 1.025 412 V CA -0.809 61.342 62.300 -0.249 0.000 0.859 412 V CB 1.231 32.945 31.823 -0.182 0.000 0.988 412 V HN 0.938 nan 8.190 nan 0.000 0.431 413 A N 5.096 127.951 122.820 0.059 0.000 2.335 413 A HA 0.836 5.156 4.320 -0.000 0.000 0.304 413 A C -0.533 177.102 177.584 0.085 0.000 1.118 413 A CA -0.721 51.387 52.037 0.119 0.000 0.757 413 A CB 1.064 20.240 19.000 0.295 0.000 1.188 413 A HN 0.767 nan 8.150 nan 0.000 0.460 414 K N 2.367 122.798 120.400 0.053 0.000 2.443 414 K HA 0.640 4.960 4.320 -0.000 0.000 0.252 414 K C -1.444 175.159 176.600 0.005 0.000 0.933 414 K CA -0.308 56.015 56.287 0.059 0.000 0.792 414 K CB 2.320 34.887 32.500 0.112 0.000 1.185 414 K HN 0.675 nan 8.250 nan 0.000 0.425 415 I N 2.876 123.436 120.570 -0.016 0.000 2.406 415 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 415 I C -0.496 175.625 176.117 0.007 0.000 0.999 415 I CA -1.285 59.947 61.300 -0.113 0.000 1.124 415 I CB 1.944 39.779 38.000 -0.275 0.000 1.289 415 I HN 0.161 nan 8.210 nan 0.000 0.441 416 V N 4.535 124.438 119.914 -0.019 0.000 2.435 416 V HA 0.557 4.677 4.120 -0.000 0.000 0.290 416 V C 0.262 176.344 176.094 -0.019 0.000 1.030 416 V CA -0.382 61.932 62.300 0.024 0.000 0.881 416 V CB 1.627 33.485 31.823 0.059 0.000 0.983 416 V HN 0.899 nan 8.190 nan 0.000 0.445 417 T N 0.318 114.889 114.554 0.029 0.000 2.916 417 T HA 0.425 4.775 4.350 -0.000 0.000 0.292 417 T C -0.341 174.329 174.700 -0.050 0.000 1.055 417 T CA -0.860 61.236 62.100 -0.005 0.000 1.009 417 T CB 1.689 70.626 68.868 0.114 0.000 1.118 417 T HN 0.447 nan 8.240 nan 0.000 0.497 418 N N 0.667 119.257 118.700 -0.183 0.000 2.406 418 N HA 0.045 4.785 4.740 -0.000 0.000 0.269 418 N C 0.722 176.279 175.510 0.077 0.000 1.210 418 N CA 0.060 53.007 53.050 -0.172 0.000 0.966 418 N CB 0.055 38.341 38.487 -0.335 0.000 1.293 418 N HN 0.830 nan 8.380 nan 0.000 0.491 419 H N 2.072 121.188 119.070 0.077 0.000 2.518 419 H HA 0.013 4.569 4.556 -0.000 0.000 0.289 419 H C 1.353 176.747 175.328 0.110 0.000 1.051 419 H CA 1.521 57.650 56.048 0.135 0.000 1.280 419 H CB 0.431 30.322 29.762 0.216 0.000 1.380 419 H HN 0.502 nan 8.280 nan 0.000 0.566 420 S N -0.086 115.660 115.700 0.076 0.000 2.370 420 S HA -0.145 4.325 4.470 -0.000 0.000 0.226 420 S C 1.124 175.707 174.600 -0.028 0.000 1.033 420 S CA 1.583 59.788 58.200 0.009 0.000 1.011 420 S CB -0.071 63.177 63.200 0.079 0.000 0.852 420 S HN 0.826 nan 8.310 nan 0.000 0.457 421 D N -1.526 118.874 120.400 -0.000 0.000 2.535 421 D HA 0.325 4.965 4.640 -0.000 0.000 0.229 421 D C 0.945 177.245 176.300 0.000 0.000 1.238 421 D CA 0.439 54.437 54.000 -0.004 0.000 0.824 421 D CB -0.387 40.425 40.800 0.020 0.000 1.045 421 D HN 0.317 nan 8.370 nan 0.000 0.500 422 G N 0.277 109.083 108.800 0.010 0.000 2.168 422 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.263 422 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.263 422 G C 0.428 175.341 174.900 0.021 0.000 0.977 422 G CA 0.532 45.658 45.100 0.044 0.000 0.659 422 G HN 0.435 nan 8.290 nan 0.000 0.533 423 T N 1.248 115.798 114.554 -0.007 0.000 2.829 423 T HA 0.363 4.713 4.350 -0.000 0.000 0.293 423 T C 0.946 175.609 174.700 -0.061 0.000 0.970 423 T CA 0.022 62.106 62.100 -0.028 0.000 1.168 423 T CB 1.679 70.520 68.868 -0.045 0.000 0.911 423 T HN 0.448 nan 8.240 nan 0.000 0.535 424 V N 6.397 126.292 119.914 -0.032 0.000 2.485 424 V HA 0.046 4.166 4.120 -0.000 0.000 0.287 424 V C 1.278 177.318 176.094 -0.089 0.000 1.022 424 V CA 0.388 62.643 62.300 -0.075 0.000 1.067 424 V CB 0.099 31.892 31.823 -0.051 0.000 0.967 424 V HN 0.824 nan 8.190 nan 0.000 0.479 425 L N 4.132 125.279 121.223 -0.127 0.000 2.425 425 L HA 0.487 4.826 4.340 -0.000 0.000 0.215 425 L C 1.085 177.911 176.870 -0.073 0.000 1.065 425 L CA 0.706 55.474 54.840 -0.120 0.000 0.842 425 L CB 0.121 42.059 42.059 -0.201 0.000 1.033 425 L HN 0.764 nan 8.230 nan 0.000 0.474 426 G N -0.541 108.199 108.800 -0.100 0.000 2.704 426 G HA2 0.578 4.538 3.960 -0.000 0.000 0.293 426 G HA3 0.578 4.538 3.960 -0.000 0.000 0.293 426 G C -1.917 172.740 174.900 -0.406 0.000 1.421 426 G CA -0.294 44.688 45.100 -0.197 0.000 0.870 426 G HN -0.275 nan 8.290 nan 0.000 0.492 427 V N 1.892 121.409 119.914 -0.662 0.000 2.638 427 V HA 0.589 4.709 4.120 -0.000 0.000 0.306 427 V C -1.162 174.465 176.094 -0.779 0.000 1.052 427 V CA -0.897 61.069 62.300 -0.556 0.000 0.885 427 V CB 1.917 33.546 31.823 -0.322 0.000 0.999 427 V HN 0.811 nan 8.190 nan 0.000 0.424 428 H N 5.241 124.284 119.070 -0.045 0.000 2.689 428 H HA 0.676 5.231 4.556 -0.000 0.000 0.346 428 H C -1.175 174.116 175.328 -0.061 0.000 1.037 428 H CA -0.510 55.519 56.048 -0.032 0.000 1.234 428 H CB 2.362 32.116 29.762 -0.013 0.000 1.572 428 H HN 0.418 nan 8.280 nan 0.000 0.524 429 L N 3.488 124.706 121.223 -0.010 0.000 2.401 429 L HA 0.440 4.780 4.340 -0.000 0.000 0.266 429 L C -0.944 175.756 176.870 -0.282 0.000 0.991 429 L CA -0.990 53.752 54.840 -0.164 0.000 0.818 429 L CB 2.820 44.829 42.059 -0.083 0.000 1.321 429 L HN 0.263 nan 8.230 nan 0.000 0.413 430 L N 2.274 123.164 121.223 -0.555 0.000 2.438 430 L HA 0.989 5.329 4.340 -0.000 0.000 0.270 430 L C -0.373 176.018 176.870 -0.799 0.000 0.972 430 L CA 0.313 54.854 54.840 -0.497 0.000 0.831 430 L CB 1.904 43.765 42.059 -0.330 0.000 1.273 430 L HN 0.715 nan 8.230 nan 0.000 0.405 431 G N 2.539 111.078 108.800 -0.435 0.000 2.321 431 G HA2 0.098 4.057 3.960 -0.000 0.000 0.339 431 G HA3 0.098 4.057 3.960 -0.000 0.000 0.339 431 G C -1.803 173.169 174.900 0.121 0.000 1.518 431 G CA -0.976 44.026 45.100 -0.164 0.000 0.994 431 G HN 0.608 nan 8.290 nan 0.000 0.668 432 D N 0.122 120.642 120.400 0.199 0.000 2.730 432 D HA 0.347 4.987 4.640 -0.000 0.000 0.225 432 D C 1.631 178.056 176.300 0.209 0.000 1.107 432 D CA 2.479 56.584 54.000 0.175 0.000 0.837 432 D CB 0.608 41.512 40.800 0.173 0.000 1.171 432 D HN 1.959 nan 8.370 nan 0.000 0.498 433 G N 1.892 110.775 108.800 0.138 0.000 2.212 433 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.266 433 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.266 433 G C 1.313 176.292 174.900 0.132 0.000 0.978 433 G CA 0.952 46.128 45.100 0.127 0.000 0.632 433 G HN 0.777 nan 8.290 nan 0.000 0.537 434 A N 1.428 124.331 122.820 0.139 0.000 1.915 434 A HA 0.007 4.327 4.320 -0.000 0.000 0.220 434 A C 0.645 178.232 177.584 0.005 0.000 1.198 434 A CA 2.780 54.858 52.037 0.069 0.000 0.647 434 A CB -1.339 17.622 19.000 -0.065 0.000 0.825 434 A HN 0.498 nan 8.150 nan 0.000 0.456 435 P HA -0.132 nan 4.420 nan 0.000 0.218 435 P C 1.251 178.572 177.300 0.035 0.000 1.148 435 P CA 1.266 64.331 63.100 -0.060 0.000 0.822 435 P CB -0.001 31.646 31.700 -0.089 0.000 0.784 436 E N -0.658 119.582 120.200 0.065 0.000 2.076 436 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 436 E C 2.151 178.785 176.600 0.056 0.000 0.979 436 E CA 0.783 57.222 56.400 0.065 0.000 0.807 436 E CB -0.673 29.067 29.700 0.066 0.000 0.761 436 E HN 0.314 nan 8.360 nan 0.000 0.454 437 I N 0.923 121.534 120.570 0.069 0.000 2.208 437 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 437 I C 2.427 178.584 176.117 0.067 0.000 1.097 437 I CA 0.718 62.065 61.300 0.077 0.000 1.363 437 I CB -0.183 37.889 38.000 0.119 0.000 1.051 437 I HN 0.031 nan 8.210 nan 0.000 0.413 438 I N 0.683 121.283 120.570 0.050 0.000 2.830 438 I HA -0.246 3.924 4.170 -0.000 0.000 0.263 438 I C 2.352 178.487 176.117 0.029 0.000 1.230 438 I CA 1.256 62.575 61.300 0.032 0.000 1.480 438 I CB -0.362 37.640 38.000 0.002 0.000 1.095 438 I HN 0.195 nan 8.210 nan 0.000 0.455 439 Q N 1.101 120.920 119.800 0.030 0.000 2.020 439 Q HA -0.155 4.184 4.340 -0.000 0.000 0.202 439 Q C 2.214 178.228 176.000 0.023 0.000 0.982 439 Q CA 2.538 58.355 55.803 0.024 0.000 0.838 439 Q CB -0.535 28.218 28.738 0.024 0.000 0.899 439 Q HN 0.522 nan 8.270 nan 0.000 0.423 440 A N -0.658 122.178 122.820 0.027 0.000 2.014 440 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 440 A C 2.226 179.832 177.584 0.037 0.000 1.163 440 A CA 1.208 53.256 52.037 0.019 0.000 0.652 440 A CB -0.567 18.439 19.000 0.010 0.000 0.808 440 A HN 0.276 nan 8.150 nan 0.000 0.449 441 V N 0.075 120.033 119.914 0.074 0.000 2.392 441 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 441 V C 2.771 178.915 176.094 0.082 0.000 1.059 441 V CA 1.925 64.302 62.300 0.130 0.000 1.051 441 V CB -1.433 30.465 31.823 0.125 0.000 0.658 441 V HN 0.601 nan 8.190 nan 0.000 0.455 442 G N -0.104 108.718 108.800 0.037 0.000 2.422 442 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 442 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 442 G C 1.629 176.539 174.900 0.016 0.000 1.146 442 G CA 1.210 46.321 45.100 0.018 0.000 0.769 442 G HN 0.414 nan 8.290 nan 0.000 0.547 443 V N 0.659 120.580 119.914 0.011 0.000 2.295 443 V HA -0.239 3.880 4.120 -0.000 0.000 0.246 443 V C 3.054 179.146 176.094 -0.004 0.000 1.049 443 V CA 1.751 64.051 62.300 -0.001 0.000 1.024 443 V CB -0.987 30.829 31.823 -0.012 0.000 0.648 443 V HN 0.496 nan 8.190 nan 0.000 0.447 444 C N -0.242 119.059 119.300 0.001 0.000 2.398 444 C HA -0.197 4.263 4.460 -0.000 0.000 0.276 444 C C 2.618 177.632 174.990 0.040 0.000 1.222 444 C CA 1.031 60.044 59.018 -0.009 0.000 1.746 444 C CB -1.244 26.513 27.740 0.028 0.000 2.039 444 C HN 0.497 nan 8.230 nan 0.000 0.470 445 L N 0.602 121.865 121.223 0.067 0.000 2.191 445 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 445 L C 2.618 179.504 176.870 0.026 0.000 1.103 445 L CA 1.626 56.496 54.840 0.050 0.000 0.769 445 L CB -0.729 41.350 42.059 0.033 0.000 0.908 445 L HN 0.318 nan 8.230 nan 0.000 0.438 446 R N -0.819 119.689 120.500 0.015 0.000 2.189 446 R HA 0.010 4.350 4.340 -0.000 0.000 0.218 446 R C 1.531 177.834 176.300 0.005 0.000 1.074 446 R CA 0.728 56.833 56.100 0.007 0.000 0.991 446 R CB -0.210 30.090 30.300 0.000 0.000 0.883 446 R HN 0.341 nan 8.270 nan 0.000 0.457 447 L N 0.967 122.191 121.223 0.001 0.000 2.628 447 L HA 0.119 4.459 4.340 -0.000 0.000 0.229 447 L C -0.243 176.629 176.870 0.003 0.000 1.137 447 L CA -0.200 54.636 54.840 -0.006 0.000 0.909 447 L CB -0.149 41.894 42.059 -0.026 0.000 1.137 447 L HN 0.140 nan 8.230 nan 0.000 0.470 448 N N 1.102 119.812 118.700 0.017 0.000 2.705 448 N HA -0.181 4.559 4.740 -0.000 0.000 0.255 448 N C 0.366 175.895 175.510 0.032 0.000 1.008 448 N CA 0.845 53.911 53.050 0.026 0.000 0.742 448 N CB -0.788 37.713 38.487 0.024 0.000 0.906 448 N HN 0.407 nan 8.380 nan 0.000 0.541 449 A N 0.388 123.238 122.820 0.049 0.000 2.520 449 A HA 0.210 4.530 4.320 -0.000 0.000 0.235 449 A C 0.844 178.500 177.584 0.122 0.000 1.065 449 A CA 0.506 52.587 52.037 0.074 0.000 0.764 449 A CB 0.659 19.724 19.000 0.108 0.000 1.002 449 A HN 0.328 nan 8.150 nan 0.000 0.502 450 K N 0.776 121.245 120.400 0.115 0.000 2.258 450 K HA 0.393 4.713 4.320 -0.000 0.000 0.236 450 K C 0.872 177.567 176.600 0.158 0.000 1.008 450 K CA -0.839 55.506 56.287 0.097 0.000 0.869 450 K CB 1.494 34.028 32.500 0.055 0.000 1.171 450 K HN 0.537 nan 8.250 nan 0.000 0.447 451 I N 1.461 122.058 120.570 0.045 0.000 2.286 451 I HA -0.268 3.901 4.170 -0.000 0.000 0.248 451 I C 1.982 178.146 176.117 0.078 0.000 1.115 451 I CA 1.870 63.135 61.300 -0.059 0.000 1.392 451 I CB -0.189 37.580 38.000 -0.385 0.000 1.065 451 I HN 0.723 nan 8.210 nan 0.000 0.418 452 S N -0.632 115.118 115.700 0.084 0.000 2.447 452 S HA -0.155 4.314 4.470 -0.000 0.000 0.233 452 S C 1.700 176.375 174.600 0.126 0.000 1.006 452 S CA 1.172 59.450 58.200 0.130 0.000 0.957 452 S CB -0.677 62.579 63.200 0.093 0.000 0.773 452 S HN 0.513 nan 8.310 nan 0.000 0.507 453 D N 0.616 121.074 120.400 0.097 0.000 2.194 453 D HA 0.078 4.717 4.640 -0.000 0.000 0.204 453 D C 1.396 177.659 176.300 -0.061 0.000 0.964 453 D CA 0.777 54.773 54.000 -0.007 0.000 0.846 453 D CB -0.289 40.470 40.800 -0.068 0.000 0.962 453 D HN 0.449 nan 8.370 nan 0.000 0.490 454 F N 0.143 120.080 119.950 -0.022 0.000 2.098 454 F HA -0.154 4.372 4.527 -0.000 0.000 0.294 454 F C 2.400 178.187 175.800 -0.022 0.000 1.107 454 F CA 0.837 58.820 58.000 -0.029 0.000 1.234 454 F CB -0.606 38.367 39.000 -0.044 0.000 1.002 454 F HN -0.048 nan 8.300 nan 0.000 0.472 455 Y N 1.047 121.417 120.300 0.118 0.000 2.352 455 Y HA -0.171 4.379 4.550 -0.000 0.000 0.292 455 Y C 1.862 177.776 175.900 0.024 0.000 1.136 455 Y CA 1.328 59.458 58.100 0.050 0.000 1.227 455 Y CB -0.445 38.025 38.460 0.017 0.000 0.991 455 Y HN -0.034 nan 8.280 nan 0.000 0.545 456 N N -0.473 118.195 118.700 -0.053 0.000 2.467 456 N HA -0.021 4.718 4.740 -0.000 0.000 0.184 456 N C 0.072 175.494 175.510 -0.146 0.000 1.106 456 N CA 0.710 53.693 53.050 -0.112 0.000 0.892 456 N CB -0.228 38.259 38.487 -0.001 0.000 0.969 456 N HN 0.140 nan 8.380 nan 0.000 0.454 457 T N 1.554 116.022 114.554 -0.144 0.000 2.884 457 T HA 0.283 4.633 4.350 -0.000 0.000 0.298 457 T C 0.866 175.479 174.700 -0.145 0.000 0.998 457 T CA -0.313 61.707 62.100 -0.133 0.000 1.124 457 T CB 1.088 69.874 68.868 -0.137 0.000 0.931 457 T HN -0.027 nan 8.240 nan 0.000 0.531 458 I N 2.753 123.254 120.570 -0.116 0.000 2.533 458 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 458 I C 1.468 177.540 176.117 -0.075 0.000 1.109 458 I CA -0.137 61.100 61.300 -0.104 0.000 1.412 458 I CB 0.419 38.371 38.000 -0.081 0.000 1.396 458 I HN 0.667 nan 8.210 nan 0.000 0.543 459 G N 5.669 114.426 108.800 -0.071 0.000 2.491 459 G HA2 0.308 4.267 3.960 -0.000 0.000 0.238 459 G HA3 0.308 4.267 3.960 -0.000 0.000 0.238 459 G C -0.290 174.611 174.900 0.001 0.000 1.277 459 G CA -0.443 44.641 45.100 -0.027 0.000 0.851 459 G HN 0.409 nan 8.290 nan 0.000 0.573 460 V N 2.523 122.448 119.914 0.018 0.000 2.364 460 V HA 0.266 4.386 4.120 -0.000 0.000 0.272 460 V C -0.039 176.098 176.094 0.072 0.000 1.036 460 V CA -0.512 61.805 62.300 0.028 0.000 0.880 460 V CB 0.787 32.613 31.823 0.005 0.000 0.991 460 V HN 0.869 nan 8.190 nan 0.000 0.460 461 H N 6.297 125.347 119.070 -0.034 0.000 2.524 461 H HA 0.747 5.303 4.556 -0.001 0.000 0.353 461 H C -2.482 172.829 175.328 -0.028 0.000 1.136 461 H CA -1.854 54.174 56.048 -0.033 0.000 1.193 461 H CB 2.052 31.794 29.762 -0.035 0.000 1.558 461 H HN 0.544 nan 8.280 nan 0.000 0.515 462 P HA 0.296 nan 4.420 nan 0.000 0.297 462 P C -1.246 175.929 177.300 -0.207 0.000 1.319 462 P CA -0.636 62.109 63.100 -0.591 0.000 0.810 462 P CB 1.433 32.752 31.700 -0.635 0.000 0.947 463 T N -2.069 112.422 114.554 -0.104 0.000 2.865 463 T HA 0.367 4.717 4.350 -0.000 0.000 0.294 463 T C 0.877 175.509 174.700 -0.112 0.000 1.119 463 T CA -0.572 61.474 62.100 -0.091 0.000 1.007 463 T CB 1.144 69.975 68.868 -0.061 0.000 1.225 463 T HN 0.016 nan 8.240 nan 0.000 0.515 464 S N 0.317 115.887 115.700 -0.216 0.000 2.387 464 S HA 0.037 4.507 4.470 -0.000 0.000 0.226 464 S C 2.472 176.878 174.600 -0.323 0.000 1.026 464 S CA 0.973 58.892 58.200 -0.468 0.000 0.972 464 S CB -0.854 61.694 63.200 -1.086 0.000 0.814 464 S HN 0.917 nan 8.310 nan 0.000 0.477 465 A N 2.254 124.981 122.820 -0.154 0.000 1.978 465 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 465 A C 1.995 179.597 177.584 0.029 0.000 1.170 465 A CA 1.769 53.797 52.037 -0.014 0.000 0.636 465 A CB -0.699 18.314 19.000 0.022 0.000 0.810 465 A HN 0.776 nan 8.150 nan 0.000 0.448 466 E N -0.433 119.774 120.200 0.012 0.000 2.333 466 E HA -0.214 4.135 4.350 -0.000 0.000 0.198 466 E C 1.210 177.847 176.600 0.062 0.000 1.007 466 E CA 1.022 57.446 56.400 0.039 0.000 0.845 466 E CB -0.252 29.476 29.700 0.046 0.000 0.766 466 E HN 0.508 nan 8.360 nan 0.000 0.507 467 E N 1.212 121.457 120.200 0.075 0.000 2.171 467 E HA -0.158 4.191 4.350 -0.000 0.000 0.197 467 E C 2.133 178.812 176.600 0.133 0.000 0.997 467 E CA 0.863 57.340 56.400 0.129 0.000 0.810 467 E CB -0.232 29.606 29.700 0.231 0.000 0.738 467 E HN 0.479 nan 8.360 nan 0.000 0.467 468 L N -0.473 120.826 121.223 0.127 0.000 2.362 468 L HA -0.123 4.217 4.340 -0.000 0.000 0.219 468 L C 1.683 178.651 176.870 0.163 0.000 1.134 468 L CA 0.410 55.315 54.840 0.109 0.000 0.807 468 L CB -0.011 42.130 42.059 0.136 0.000 0.927 468 L HN 0.110 nan 8.230 nan 0.000 0.447 469 C N -1.616 117.769 119.300 0.142 0.000 2.884 469 C HA 0.193 4.653 4.460 -0.000 0.000 0.287 469 C C 1.836 176.864 174.990 0.063 0.000 1.310 469 C CA -0.197 58.883 59.018 0.103 0.000 1.725 469 C CB -0.507 27.251 27.740 0.029 0.000 2.060 469 C HN 0.330 nan 8.230 nan 0.000 0.618 470 S N 0.140 115.934 115.700 0.157 0.000 2.701 470 S HA 0.325 4.795 4.470 -0.000 0.000 0.242 470 S C 0.213 175.010 174.600 0.328 0.000 1.025 470 S CA -0.065 58.269 58.200 0.223 0.000 1.016 470 S CB 0.043 63.310 63.200 0.113 0.000 0.977 470 S HN 0.521 nan 8.310 nan 0.000 0.546 471 M N 1.435 121.209 119.600 0.289 0.000 2.129 471 M HA 0.444 4.923 4.480 -0.000 0.000 0.348 471 M C 0.991 177.339 176.300 0.080 0.000 1.116 471 M CA -0.217 55.193 55.300 0.183 0.000 1.022 471 M CB 1.623 34.307 32.600 0.139 0.000 1.599 471 M HN 0.012 nan 8.290 nan 0.000 0.449 472 R N 0.585 121.081 120.500 -0.008 0.000 2.435 472 R HA 0.220 4.559 4.340 -0.000 0.000 0.221 472 R C -0.431 175.938 176.300 0.114 0.000 0.885 472 R CA 0.616 56.571 56.100 -0.242 0.000 1.018 472 R CB 1.072 31.012 30.300 -0.599 0.000 1.259 472 R HN 0.601 nan 8.270 nan 0.000 0.597 473 T N 2.785 117.429 114.554 0.150 0.000 2.847 473 T HA 0.387 4.736 4.350 -0.000 0.000 0.291 473 T C -2.717 171.802 174.700 -0.301 0.000 0.998 473 T CA -1.348 60.742 62.100 -0.017 0.000 0.967 473 T CB 2.362 71.207 68.868 -0.039 0.000 0.954 473 T HN -0.065 nan 8.240 nan 0.000 0.441 474 P HA 0.199 nan 4.420 nan 0.000 0.267 474 P C 0.350 177.229 177.300 -0.702 0.000 1.200 474 P CA -0.074 62.270 63.100 -1.259 0.000 0.772 474 P CB 0.576 31.368 31.700 -1.513 0.000 0.855 475 S N 0.761 116.078 115.700 -0.639 0.000 2.470 475 S HA 0.120 4.590 4.470 -0.000 0.000 0.222 475 S C 0.163 174.630 174.600 -0.221 0.000 1.024 475 S CA 0.567 58.579 58.200 -0.313 0.000 0.931 475 S CB -0.464 62.623 63.200 -0.188 0.000 0.791 475 S HN 0.692 nan 8.310 nan 0.000 0.513 476 Y N -2.193 117.814 120.300 -0.489 0.000 2.895 476 Y HA 0.686 5.236 4.550 -0.000 0.000 0.339 476 Y C -1.842 173.653 175.900 -0.676 0.000 1.363 476 Y CA -2.072 55.773 58.100 -0.426 0.000 1.085 476 Y CB 0.597 38.910 38.460 -0.245 0.000 1.500 476 Y HN -0.090 nan 8.280 nan 0.000 0.442 477 Y N -0.732 119.581 120.300 0.021 0.000 2.588 477 Y HA 0.609 5.159 4.550 -0.000 0.000 0.343 477 Y C -1.590 174.227 175.900 -0.139 0.000 1.065 477 Y CA -1.377 56.680 58.100 -0.070 0.000 1.038 477 Y CB 2.145 40.542 38.460 -0.105 0.000 1.297 477 Y HN 0.551 nan 8.280 nan 0.000 0.467 478 Y N 0.969 121.422 120.300 0.255 0.000 2.328 478 Y HA 0.592 5.142 4.550 -0.000 0.000 0.337 478 Y C -0.602 175.397 175.900 0.165 0.000 0.966 478 Y CA -1.049 57.164 58.100 0.188 0.000 1.136 478 Y CB 1.508 40.063 38.460 0.158 0.000 1.170 478 Y HN 0.202 nan 8.280 nan 0.000 0.470 479 V N 4.334 124.384 119.914 0.228 0.000 2.384 479 V HA 0.228 4.348 4.120 -0.000 0.000 0.287 479 V C -0.170 176.012 176.094 0.147 0.000 1.020 479 V CA -1.730 60.666 62.300 0.160 0.000 0.850 479 V CB 1.191 33.061 31.823 0.079 0.000 0.987 479 V HN 0.796 nan 8.190 nan 0.000 0.436 480 K N 3.981 124.465 120.400 0.140 0.000 3.071 480 K HA -0.252 4.068 4.320 -0.000 0.000 0.262 480 K C 1.125 177.797 176.600 0.120 0.000 0.977 480 K CA 0.784 57.135 56.287 0.107 0.000 0.721 480 K CB -1.504 31.039 32.500 0.072 0.000 1.293 480 K HN 1.519 nan 8.250 nan 0.000 0.475 481 G N -0.141 108.762 108.800 0.172 0.000 2.199 481 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.254 481 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.254 481 G C -0.185 174.871 174.900 0.259 0.000 0.982 481 G CA 0.476 45.681 45.100 0.176 0.000 0.632 481 G HN 0.688 nan 8.290 nan 0.000 0.529 482 E N 0.467 120.805 120.200 0.229 0.000 2.166 482 E HA 0.631 4.981 4.350 -0.000 0.000 0.275 482 E C -0.107 176.548 176.600 0.091 0.000 0.941 482 E CA -1.016 55.484 56.400 0.168 0.000 0.784 482 E CB 1.413 31.162 29.700 0.080 0.000 1.115 482 E HN 0.208 nan 8.360 nan 0.000 0.399 483 K N 5.043 125.413 120.400 -0.049 0.000 2.339 483 K HA 0.224 4.544 4.320 -0.000 0.000 0.286 483 K C -0.399 176.057 176.600 -0.239 0.000 1.050 483 K CA -0.095 55.935 56.287 -0.429 0.000 0.956 483 K CB 0.471 32.696 32.500 -0.458 0.000 0.990 483 K HN 0.712 nan 8.250 nan 0.000 0.475 484 M N 1.254 120.740 119.600 -0.190 0.000 2.520 484 M HA 0.243 4.722 4.480 -0.000 0.000 0.280 484 M C -0.007 176.310 176.300 0.027 0.000 1.232 484 M CA -0.813 54.444 55.300 -0.072 0.000 0.892 484 M CB 1.879 34.461 32.600 -0.030 0.000 1.728 484 M HN 0.569 nan 8.290 nan 0.000 0.475 485 E N 1.059 121.276 120.200 0.028 0.000 2.230 485 E HA 0.113 4.462 4.350 -0.000 0.000 0.192 485 E C 0.261 176.967 176.600 0.176 0.000 0.987 485 E CA 1.148 57.609 56.400 0.101 0.000 0.841 485 E CB 0.416 30.140 29.700 0.040 0.000 0.783 485 E HN 0.664 nan 8.360 nan 0.000 0.481 486 K N -0.031 120.416 120.400 0.078 0.000 2.259 486 K HA 0.687 5.006 4.320 -0.000 0.000 0.252 486 K C -0.362 176.113 176.600 -0.209 0.000 0.936 486 K CA 0.082 56.361 56.287 -0.013 0.000 0.810 486 K CB 0.800 33.285 32.500 -0.026 0.000 1.143 486 K HN 0.208 nan 8.250 nan 0.000 0.427 487 L N 1.124 122.040 121.223 -0.512 0.000 2.453 487 L HA 0.747 5.086 4.340 -0.000 0.000 0.272 487 L C -0.163 176.572 176.870 -0.224 0.000 1.182 487 L CA -0.390 54.129 54.840 -0.536 0.000 0.858 487 L CB -0.755 40.900 42.059 -0.673 0.000 1.120 487 L HN 1.157 nan 8.230 nan 0.000 0.474 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.054 63.100 -0.076 0.000 0.800 488 P CB 0.000 31.672 31.700 -0.047 0.000 0.726