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 1ocm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG SSSGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 1 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2 I N 1.403 121.964 120.570 -0.016 0.000 2.371 2 I HA 0.231 4.400 4.170 -0.001 0.000 0.290 2 I C 0.430 176.531 176.117 -0.026 0.000 1.028 2 I CA -0.171 61.117 61.300 -0.020 0.000 1.345 2 I CB 1.496 39.484 38.000 -0.021 0.000 1.407 2 I HN 0.582 nan 8.210 nan 0.000 0.501 3 S N 6.091 121.771 115.700 -0.032 0.000 2.439 3 S HA 0.141 4.611 4.470 -0.001 0.000 0.282 3 S C 0.808 175.381 174.600 -0.044 0.000 1.170 3 S CA -0.766 57.406 58.200 -0.047 0.000 1.054 3 S CB 0.734 63.902 63.200 -0.054 0.000 0.956 3 S HN 0.571 nan 8.310 nan 0.000 0.490 4 L N 6.882 128.075 121.223 -0.051 0.000 2.017 4 L HA 0.102 4.441 4.340 -0.001 0.000 0.208 4 L C 2.389 179.233 176.870 -0.043 0.000 1.073 4 L CA 2.630 57.444 54.840 -0.044 0.000 0.745 4 L CB -1.575 40.455 42.059 -0.048 0.000 0.894 4 L HN 0.815 nan 8.230 nan 0.000 0.432 5 A N -0.689 122.095 122.820 -0.060 0.000 1.933 5 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 5 A C 2.071 179.639 177.584 -0.026 0.000 1.175 5 A CA 1.859 53.867 52.037 -0.048 0.000 0.628 5 A CB -1.058 17.892 19.000 -0.083 0.000 0.814 5 A HN 0.632 nan 8.150 nan 0.000 0.444 6 D N -0.113 120.268 120.400 -0.031 0.000 2.097 6 D HA -0.137 4.503 4.640 -0.001 0.000 0.195 6 D C 1.852 178.146 176.300 -0.010 0.000 0.989 6 D CA 1.445 55.436 54.000 -0.016 0.000 0.827 6 D CB -0.227 40.562 40.800 -0.019 0.000 0.966 6 D HN 0.415 nan 8.370 nan 0.000 0.456 7 L N -0.051 121.163 121.223 -0.015 0.000 2.012 7 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 7 L C 2.781 179.647 176.870 -0.006 0.000 1.073 7 L CA 1.258 56.091 54.840 -0.011 0.000 0.748 7 L CB -0.669 41.380 42.059 -0.016 0.000 0.891 7 L HN 0.217 nan 8.230 nan 0.000 0.431 8 Q N -0.151 119.644 119.800 -0.007 0.000 2.045 8 Q HA -0.250 4.089 4.340 -0.001 0.000 0.206 8 Q C 2.447 178.451 176.000 0.005 0.000 0.991 8 Q CA 1.783 57.586 55.803 -0.001 0.000 0.851 8 Q CB -0.117 28.620 28.738 -0.001 0.000 0.911 8 Q HN 0.443 nan 8.270 nan 0.000 0.418 9 R N 0.052 120.557 120.500 0.008 0.000 2.083 9 R HA -0.112 4.227 4.340 -0.001 0.000 0.237 9 R C 2.349 178.656 176.300 0.011 0.000 1.137 9 R CA 1.328 57.437 56.100 0.014 0.000 0.951 9 R CB -0.167 30.145 30.300 0.019 0.000 0.851 9 R HN 0.200 nan 8.270 nan 0.000 0.434 10 R N 0.223 120.727 120.500 0.007 0.000 2.092 10 R HA -0.053 4.286 4.340 -0.001 0.000 0.231 10 R C 2.312 178.616 176.300 0.006 0.000 1.119 10 R CA 1.157 57.261 56.100 0.007 0.000 0.970 10 R CB -0.265 30.037 30.300 0.004 0.000 0.864 10 R HN 0.263 nan 8.270 nan 0.000 0.440 11 I N 0.534 121.107 120.570 0.004 0.000 2.252 11 I HA -0.221 3.948 4.170 -0.001 0.000 0.245 11 I C 2.442 178.563 176.117 0.007 0.000 1.102 11 I CA 1.100 62.403 61.300 0.004 0.000 1.385 11 I CB -0.171 37.831 38.000 0.002 0.000 1.064 11 I HN 0.109 nan 8.210 nan 0.000 0.414 12 E N 1.064 121.269 120.200 0.008 0.000 2.110 12 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 12 E C 2.001 178.607 176.600 0.010 0.000 0.988 12 E CA 2.062 58.468 56.400 0.010 0.000 0.804 12 E CB -0.205 29.503 29.700 0.013 0.000 0.745 12 E HN 0.511 nan 8.360 nan 0.000 0.458 13 T N -3.791 110.770 114.554 0.010 0.000 3.113 13 T HA 0.241 4.590 4.350 -0.001 0.000 0.256 13 T C 1.516 176.221 174.700 0.008 0.000 1.131 13 T CA 0.601 62.707 62.100 0.010 0.000 1.074 13 T CB 0.059 68.933 68.868 0.011 0.000 0.944 13 T HN 0.357 nan 8.240 nan 0.000 0.516 14 G N 1.516 110.321 108.800 0.008 0.000 2.176 14 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.253 14 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.253 14 G C 0.558 175.462 174.900 0.006 0.000 0.979 14 G CA 0.535 45.639 45.100 0.007 0.000 0.641 14 G HN 0.641 nan 8.290 nan 0.000 0.530 15 E N -0.864 119.340 120.200 0.006 0.000 2.274 15 E HA 0.189 4.539 4.350 -0.001 0.000 0.194 15 E C 0.754 177.357 176.600 0.005 0.000 0.996 15 E CA 0.654 57.057 56.400 0.006 0.000 0.840 15 E CB 0.014 29.718 29.700 0.006 0.000 0.772 15 E HN 0.607 nan 8.360 nan 0.000 0.491 16 L N 1.077 122.303 121.223 0.005 0.000 2.438 16 L HA 0.282 4.622 4.340 -0.001 0.000 0.270 16 L C -0.761 176.112 176.870 0.004 0.000 0.972 16 L CA -0.614 54.228 54.840 0.004 0.000 0.831 16 L CB 1.961 44.022 42.059 0.002 0.000 1.273 16 L HN 0.054 nan 8.230 nan 0.000 0.405 17 S N 4.048 119.752 115.700 0.005 0.000 2.601 17 S HA 0.533 5.002 4.470 -0.001 0.000 0.271 17 S C -2.033 172.571 174.600 0.006 0.000 1.305 17 S CA -0.849 57.355 58.200 0.006 0.000 1.022 17 S CB 1.130 64.335 63.200 0.007 0.000 0.940 17 S HN 0.619 nan 8.310 nan 0.000 0.525 18 P HA -0.091 nan 4.420 nan 0.000 0.215 18 P C 1.151 178.458 177.300 0.011 0.000 1.153 18 P CA 1.077 64.180 63.100 0.006 0.000 0.853 18 P CB -0.025 31.679 31.700 0.007 0.000 0.788 19 N N -0.470 118.239 118.700 0.015 0.000 2.104 19 N HA -0.153 4.587 4.740 -0.001 0.000 0.190 19 N C 1.717 177.244 175.510 0.028 0.000 1.024 19 N CA 1.738 54.802 53.050 0.024 0.000 0.853 19 N CB -0.994 37.506 38.487 0.021 0.000 1.008 19 N HN 0.066 nan 8.380 nan 0.000 0.424 20 A N 0.970 123.801 122.820 0.019 0.000 1.902 20 A HA 0.042 4.362 4.320 -0.001 0.000 0.217 20 A C 2.397 179.989 177.584 0.013 0.000 1.181 20 A CA 1.901 53.948 52.037 0.017 0.000 0.623 20 A CB -0.843 18.164 19.000 0.011 0.000 0.818 20 A HN 0.320 nan 8.150 nan 0.000 0.443 21 A N 0.082 122.905 122.820 0.005 0.000 1.883 21 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 21 A C 1.998 179.570 177.584 -0.019 0.000 1.186 21 A CA 1.767 53.800 52.037 -0.007 0.000 0.624 21 A CB -0.516 18.478 19.000 -0.010 0.000 0.822 21 A HN 0.407 nan 8.150 nan 0.000 0.444 22 I N -0.106 120.456 120.570 -0.013 0.000 2.315 22 I HA -0.198 3.971 4.170 -0.001 0.000 0.248 22 I C 2.902 179.017 176.117 -0.003 0.000 1.117 22 I CA 1.301 62.575 61.300 -0.044 0.000 1.404 22 I CB -1.620 36.380 38.000 -0.001 0.000 1.071 22 I HN 0.368 nan 8.210 nan 0.000 0.419 23 A N 0.032 122.899 122.820 0.078 0.000 1.933 23 A HA -0.259 4.060 4.320 -0.001 0.000 0.218 23 A C 2.264 179.896 177.584 0.079 0.000 1.175 23 A CA 1.541 53.656 52.037 0.131 0.000 0.628 23 A CB -0.558 18.490 19.000 0.079 0.000 0.814 23 A HN 0.358 nan 8.150 nan 0.000 0.444 24 Q N 0.041 119.856 119.800 0.024 0.000 2.061 24 Q HA -0.127 4.213 4.340 -0.001 0.000 0.204 24 Q C 2.472 178.461 176.000 -0.018 0.000 0.984 24 Q CA 2.202 58.007 55.803 0.003 0.000 0.846 24 Q CB -0.323 28.410 28.738 -0.010 0.000 0.902 24 Q HN 0.655 nan 8.270 nan 0.000 0.421 25 S N -0.490 115.169 115.700 -0.068 0.000 2.348 25 S HA -0.173 4.296 4.470 -0.001 0.000 0.221 25 S C 1.669 176.189 174.600 -0.132 0.000 1.033 25 S CA 1.159 59.282 58.200 -0.129 0.000 1.010 25 S CB -0.490 62.586 63.200 -0.207 0.000 0.891 25 S HN 0.469 nan 8.310 nan 0.000 0.442 26 H N 1.597 120.654 119.070 -0.022 0.000 2.319 26 H HA -0.073 4.483 4.556 -0.001 0.000 0.297 26 H C 2.527 177.853 175.328 -0.003 0.000 1.097 26 H CA 1.544 57.604 56.048 0.020 0.000 1.285 26 H CB -0.863 28.948 29.762 0.081 0.000 1.368 26 H HN 0.445 nan 8.280 nan 0.000 0.495 27 A N 1.070 123.964 122.820 0.122 0.000 1.940 27 A HA -0.104 4.215 4.320 -0.001 0.000 0.219 27 A C 2.722 180.314 177.584 0.013 0.000 1.176 27 A CA 1.875 53.947 52.037 0.057 0.000 0.631 27 A CB -0.786 18.238 19.000 0.039 0.000 0.814 27 A HN 0.462 nan 8.150 nan 0.000 0.446 28 A N -0.134 122.678 122.820 -0.013 0.000 1.898 28 A HA -0.028 4.292 4.320 -0.001 0.000 0.216 28 A C 2.107 179.659 177.584 -0.053 0.000 1.181 28 A CA 1.422 53.439 52.037 -0.032 0.000 0.620 28 A CB -0.548 18.430 19.000 -0.038 0.000 0.819 28 A HN 0.497 nan 8.150 nan 0.000 0.442 29 I N -0.868 119.634 120.570 -0.113 0.000 2.252 29 I HA -0.209 3.960 4.170 -0.001 0.000 0.245 29 I C 2.510 178.560 176.117 -0.111 0.000 1.102 29 I CA 1.566 62.746 61.300 -0.200 0.000 1.385 29 I CB -0.313 37.309 38.000 -0.630 0.000 1.064 29 I HN 0.265 nan 8.210 nan 0.000 0.414 30 E N 1.153 121.330 120.200 -0.039 0.000 2.118 30 E HA -0.187 4.162 4.350 -0.001 0.000 0.195 30 E C 2.134 178.736 176.600 0.004 0.000 0.992 30 E CA 1.530 57.942 56.400 0.021 0.000 0.804 30 E CB -0.181 29.552 29.700 0.054 0.000 0.741 30 E HN 0.457 nan 8.360 nan 0.000 0.458 31 A N -0.119 122.696 122.820 -0.008 0.000 2.066 31 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 31 A C 1.711 179.281 177.584 -0.022 0.000 1.157 31 A CA 1.016 53.046 52.037 -0.012 0.000 0.670 31 A CB 0.030 19.022 19.000 -0.013 0.000 0.804 31 A HN 0.040 nan 8.150 nan 0.000 0.453 32 R N -1.550 118.932 120.500 -0.030 0.000 2.517 32 R HA 0.107 4.446 4.340 -0.001 0.000 0.265 32 R C 1.450 177.718 176.300 -0.053 0.000 0.921 32 R CA 0.655 56.728 56.100 -0.045 0.000 1.054 32 R CB -0.193 30.077 30.300 -0.050 0.000 1.340 32 R HN 0.488 nan 8.270 nan 0.000 0.551 33 E N 2.528 122.716 120.200 -0.020 0.000 2.085 33 E HA -0.139 4.211 4.350 -0.001 0.000 0.194 33 E C 1.321 177.911 176.600 -0.017 0.000 0.994 33 E CA 1.609 58.017 56.400 0.014 0.000 0.801 33 E CB 0.051 29.779 29.700 0.046 0.000 0.743 33 E HN 0.147 nan 8.360 nan 0.000 0.453 34 K N -0.157 120.241 120.400 -0.003 0.000 2.360 34 K HA -0.167 4.153 4.320 -0.001 0.000 0.201 34 K C 1.818 178.343 176.600 -0.125 0.000 1.046 34 K CA 1.508 57.815 56.287 0.032 0.000 0.945 34 K CB -0.062 32.466 32.500 0.047 0.000 0.750 34 K HN 0.472 nan 8.250 nan 0.000 0.464 35 E N -0.677 119.365 120.200 -0.264 0.000 2.372 35 E HA -0.001 4.348 4.350 -0.001 0.000 0.201 35 E C 1.588 177.827 176.600 -0.601 0.000 0.938 35 E CA 0.149 56.328 56.400 -0.368 0.000 0.944 35 E CB 0.211 29.819 29.700 -0.154 0.000 0.937 35 E HN -0.069 nan 8.360 nan 0.000 0.495 36 V N 0.791 120.427 119.914 -0.463 0.000 2.685 36 V HA -0.047 4.073 4.120 -0.001 0.000 0.244 36 V C 0.079 176.030 176.094 -0.238 0.000 1.054 36 V CA 1.232 63.355 62.300 -0.295 0.000 1.076 36 V CB -1.068 30.677 31.823 -0.130 0.000 0.725 36 V HN 0.420 nan 8.190 nan 0.000 0.467 37 H N -0.828 118.268 119.070 0.042 0.000 2.756 37 H HA -0.188 4.367 4.556 -0.001 0.000 0.315 37 H C 1.264 176.611 175.328 0.032 0.000 1.210 37 H CA 0.232 56.311 56.048 0.051 0.000 1.150 37 H CB -1.464 28.317 29.762 0.032 0.000 1.463 37 H HN 0.478 nan 8.280 nan 0.000 0.427 38 A N -0.368 122.513 122.820 0.101 0.000 2.132 38 A HA 0.246 4.566 4.320 -0.001 0.000 0.213 38 A C 0.388 177.862 177.584 -0.183 0.000 1.154 38 A CA 0.372 52.370 52.037 -0.065 0.000 0.753 38 A CB 0.373 19.281 19.000 -0.154 0.000 0.826 38 A HN 0.254 nan 8.150 nan 0.000 0.469 39 F N -1.471 118.484 119.950 0.008 0.000 2.436 39 F HA 0.392 4.918 4.527 -0.001 0.000 0.340 39 F C 1.152 176.975 175.800 0.038 0.000 1.113 39 F CA -0.395 57.614 58.000 0.014 0.000 1.022 39 F CB 2.020 41.031 39.000 0.018 0.000 1.128 39 F HN -0.158 nan 8.300 nan 0.000 0.466 40 V N 2.686 122.713 119.914 0.187 0.000 2.591 40 V HA 0.051 4.170 4.120 -0.001 0.000 0.249 40 V C 0.532 176.723 176.094 0.163 0.000 1.053 40 V CA 1.152 63.531 62.300 0.131 0.000 1.068 40 V CB -0.407 31.461 31.823 0.075 0.000 0.689 40 V HN 0.597 nan 8.190 nan 0.000 0.462 41 R N -0.666 119.974 120.500 0.234 0.000 2.518 41 R HA 0.348 4.688 4.340 -0.001 0.000 0.287 41 R C -0.967 175.489 176.300 0.261 0.000 1.135 41 R CA -0.425 55.794 56.100 0.198 0.000 0.967 41 R CB 1.445 31.822 30.300 0.130 0.000 1.212 41 R HN 0.439 nan 8.270 nan 0.000 0.422 42 H N 2.285 121.362 119.070 0.012 0.000 2.581 42 H HA 0.131 4.686 4.556 -0.001 0.000 0.308 42 H C -0.949 174.340 175.328 -0.066 0.000 1.040 42 H CA -0.672 55.283 56.048 -0.155 0.000 1.231 42 H CB 1.213 30.783 29.762 -0.319 0.000 1.396 42 H HN 0.494 nan 8.280 nan 0.000 0.467 43 D N 5.003 125.472 120.400 0.115 0.000 2.435 43 D HA 0.020 4.659 4.640 -0.001 0.000 0.230 43 D C 0.766 176.998 176.300 -0.113 0.000 1.215 43 D CA -0.126 53.865 54.000 -0.015 0.000 0.947 43 D CB 0.644 41.483 40.800 0.065 0.000 1.048 43 D HN 0.596 nan 8.370 nan 0.000 0.512 44 K N 0.860 120.982 120.400 -0.465 0.000 2.281 44 K HA -0.121 4.198 4.320 -0.001 0.000 0.203 44 K C 1.665 177.994 176.600 -0.452 0.000 1.046 44 K CA 1.195 57.116 56.287 -0.610 0.000 0.938 44 K CB 0.092 32.264 32.500 -0.546 0.000 0.737 44 K HN 0.404 nan 8.250 nan 0.000 0.458 45 S N 0.117 115.688 115.700 -0.214 0.000 2.593 45 S HA 0.169 4.639 4.470 -0.001 0.000 0.217 45 S C 0.764 175.351 174.600 -0.021 0.000 0.966 45 S CA -0.276 57.846 58.200 -0.130 0.000 0.914 45 S CB 0.113 63.261 63.200 -0.087 0.000 0.776 45 S HN 0.187 nan 8.310 nan 0.000 0.523 46 A N 2.369 125.235 122.820 0.077 0.000 2.561 46 A HA 0.347 4.667 4.320 -0.001 0.000 0.251 46 A C 0.526 178.231 177.584 0.201 0.000 1.062 46 A CA -0.086 52.044 52.037 0.155 0.000 0.761 46 A CB -0.040 19.083 19.000 0.206 0.000 0.986 46 A HN 0.636 nan 8.150 nan 0.000 0.510 47 R N 1.604 122.166 120.500 0.103 0.000 2.828 47 R HA 0.667 5.007 4.340 -0.001 0.000 0.264 47 R C 0.161 176.495 176.300 0.056 0.000 1.022 47 R CA -0.418 55.733 56.100 0.085 0.000 1.021 47 R CB 1.691 32.018 30.300 0.045 0.000 1.163 47 R HN 0.795 nan 8.270 nan 0.000 0.494 48 A N 1.271 124.118 122.820 0.045 0.000 2.351 48 A HA 0.195 4.514 4.320 -0.001 0.000 0.257 48 A C -0.237 177.359 177.584 0.019 0.000 1.087 48 A CA -0.311 51.741 52.037 0.025 0.000 0.798 48 A CB 0.486 19.498 19.000 0.020 0.000 1.033 48 A HN 0.608 nan 8.150 nan 0.000 0.488 49 Q N -0.223 119.585 119.800 0.013 0.000 2.212 49 Q HA 0.498 4.837 4.340 -0.001 0.000 0.238 49 Q C 0.898 176.903 176.000 0.009 0.000 0.955 49 Q CA -0.067 55.742 55.803 0.010 0.000 0.906 49 Q CB 1.581 30.324 28.738 0.008 0.000 1.215 49 Q HN 0.819 nan 8.270 nan 0.000 0.478 50 A N 0.736 123.560 122.820 0.008 0.000 2.081 50 A HA 0.043 4.363 4.320 -0.001 0.000 0.214 50 A C 0.639 178.226 177.584 0.006 0.000 1.158 50 A CA 0.892 52.933 52.037 0.007 0.000 0.724 50 A CB 0.207 19.211 19.000 0.006 0.000 0.826 50 A HN 0.641 nan 8.150 nan 0.000 0.463 51 S N -2.945 112.759 115.700 0.006 0.000 2.697 51 S HA 0.739 5.209 4.470 -0.001 0.000 0.289 51 S C -0.069 174.534 174.600 0.006 0.000 1.149 51 S CA -0.186 58.017 58.200 0.006 0.000 0.850 51 S CB 1.167 64.371 63.200 0.006 0.000 1.151 51 S HN 2.028 nan 8.310 nan 0.000 0.491 52 G N 1.007 109.811 108.800 0.006 0.000 2.650 52 G HA2 0.055 4.014 3.960 -0.001 0.000 0.686 52 G HA3 0.055 4.014 3.960 -0.001 0.000 0.686 52 G C -2.180 172.723 174.900 0.005 0.000 1.205 52 G CA -0.298 44.805 45.100 0.006 0.000 0.781 52 G HN 0.626 nan 8.290 nan 0.000 0.648 53 P HA -0.041 nan 4.420 nan 0.000 0.222 53 P C 1.473 178.773 177.300 -0.000 0.000 1.147 53 P CA 1.071 64.175 63.100 0.005 0.000 0.790 53 P CB 0.157 31.862 31.700 0.008 0.000 0.780 54 L N -0.411 120.811 121.223 -0.002 0.000 2.818 54 L HA 0.199 4.539 4.340 -0.001 0.000 0.243 54 L C 1.195 178.063 176.870 -0.004 0.000 1.185 54 L CA -0.632 54.204 54.840 -0.006 0.000 0.988 54 L CB -0.350 41.703 42.059 -0.010 0.000 1.292 54 L HN -0.043 nan 8.230 nan 0.000 0.519 55 R N 0.335 120.834 120.500 -0.001 0.000 2.522 55 R HA 0.277 4.617 4.340 -0.001 0.000 0.284 55 R C 0.882 177.181 176.300 -0.002 0.000 1.032 55 R CA 0.687 56.787 56.100 0.000 0.000 1.049 55 R CB 0.016 30.318 30.300 0.003 0.000 0.956 55 R HN 0.183 nan 8.270 nan 0.000 0.422 56 G N 2.591 111.389 108.800 -0.003 0.000 2.176 56 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.253 56 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.253 56 G C -0.036 174.854 174.900 -0.017 0.000 0.979 56 G CA 0.001 45.096 45.100 -0.007 0.000 0.641 56 G HN 0.558 nan 8.290 nan 0.000 0.530 57 I N 1.682 122.243 120.570 -0.016 0.000 2.307 57 I HA 0.632 4.801 4.170 -0.001 0.000 0.289 57 I C 0.838 176.940 176.117 -0.024 0.000 1.021 57 I CA -1.018 60.270 61.300 -0.021 0.000 1.224 57 I CB 0.645 38.635 38.000 -0.017 0.000 1.376 57 I HN 0.330 nan 8.210 nan 0.000 0.470 58 A N 7.221 130.018 122.820 -0.038 0.000 2.328 58 A HA 0.653 4.972 4.320 -0.001 0.000 0.284 58 A C -0.211 177.368 177.584 -0.008 0.000 1.160 58 A CA -0.319 51.691 52.037 -0.044 0.000 0.818 58 A CB 0.624 19.562 19.000 -0.103 0.000 1.087 58 A HN 0.474 nan 8.150 nan 0.000 0.504 59 V N 2.009 121.933 119.914 0.016 0.000 2.588 59 V HA 0.666 4.785 4.120 -0.001 0.000 0.304 59 V C 0.732 176.871 176.094 0.075 0.000 1.042 59 V CA -0.290 62.031 62.300 0.036 0.000 0.877 59 V CB 1.872 33.709 31.823 0.025 0.000 0.996 59 V HN 1.153 nan 8.190 nan 0.000 0.425 60 G N 4.377 113.217 108.800 0.066 0.000 2.348 60 G HA2 0.664 4.623 3.960 -0.001 0.000 0.312 60 G HA3 0.664 4.623 3.960 -0.001 0.000 0.312 60 G C -0.787 174.109 174.900 -0.005 0.000 1.126 60 G CA -0.409 44.723 45.100 0.053 0.000 0.865 60 G HN 0.444 nan 8.290 nan 0.000 0.474 61 I N 1.662 122.236 120.570 0.007 0.000 2.389 61 I HA 0.274 4.443 4.170 -0.001 0.000 0.288 61 I C 0.480 176.582 176.117 -0.026 0.000 0.999 61 I CA -1.160 60.142 61.300 0.004 0.000 1.129 61 I CB 1.499 39.519 38.000 0.034 0.000 1.288 61 I HN 0.533 nan 8.210 nan 0.000 0.444 62 K N 3.889 124.269 120.400 -0.032 0.000 2.524 62 K HA -0.131 4.189 4.320 -0.001 0.000 0.279 62 K C 0.437 177.028 176.600 -0.014 0.000 0.993 62 K CA 0.293 56.554 56.287 -0.042 0.000 1.030 62 K CB 0.516 33.011 32.500 -0.008 0.000 0.891 62 K HN 0.439 nan 8.250 nan 0.000 0.488 63 D N 4.118 124.503 120.400 -0.024 0.000 2.396 63 D HA -0.005 4.635 4.640 -0.001 0.000 0.255 63 D C 0.780 177.075 176.300 -0.009 0.000 1.224 63 D CA 0.331 54.328 54.000 -0.005 0.000 0.894 63 D CB -0.227 40.570 40.800 -0.005 0.000 0.939 63 D HN 0.574 nan 8.370 nan 0.000 0.506 64 I N -3.455 117.116 120.570 0.000 0.000 4.082 64 I HA 0.295 4.465 4.170 -0.001 0.000 0.337 64 I C 0.136 176.274 176.117 0.035 0.000 1.352 64 I CA -0.258 61.044 61.300 0.003 0.000 1.097 64 I CB 0.312 38.324 38.000 0.020 0.000 1.048 64 I HN -0.226 nan 8.210 nan 0.000 0.393 65 I N 2.964 123.558 120.570 0.039 0.000 2.321 65 I HA 0.267 4.436 4.170 -0.001 0.000 0.291 65 I C -0.460 175.688 176.117 0.051 0.000 0.998 65 I CA -0.542 60.787 61.300 0.049 0.000 1.227 65 I CB 0.752 38.778 38.000 0.044 0.000 1.368 65 I HN -0.003 nan 8.210 nan 0.000 0.466 66 D N 4.907 125.344 120.400 0.062 0.000 2.455 66 D HA 0.170 4.810 4.640 -0.001 0.000 0.241 66 D C 0.168 176.486 176.300 0.031 0.000 1.138 66 D CA 0.567 54.601 54.000 0.058 0.000 0.877 66 D CB 0.938 41.781 40.800 0.071 0.000 1.187 66 D HN 0.595 nan 8.370 nan 0.000 0.451 67 T N -2.243 112.318 114.554 0.011 0.000 2.912 67 T HA 0.628 4.978 4.350 -0.001 0.000 0.299 67 T C 0.536 175.217 174.700 -0.032 0.000 1.052 67 T CA -0.913 61.187 62.100 -0.000 0.000 0.996 67 T CB 1.915 70.790 68.868 0.012 0.000 1.070 67 T HN 0.175 nan 8.240 nan 0.000 0.465 68 A N 2.169 124.971 122.820 -0.030 0.000 2.081 68 A HA 0.099 4.418 4.320 -0.001 0.000 0.214 68 A C 1.945 179.497 177.584 -0.054 0.000 1.158 68 A CA 0.710 52.716 52.037 -0.052 0.000 0.724 68 A CB -0.435 18.543 19.000 -0.036 0.000 0.826 68 A HN 0.886 nan 8.150 nan 0.000 0.463 69 N N -1.043 117.637 118.700 -0.033 0.000 2.254 69 N HA 0.165 4.904 4.740 -0.001 0.000 0.190 69 N C 0.095 175.590 175.510 -0.024 0.000 1.107 69 N CA 0.162 53.196 53.050 -0.027 0.000 0.869 69 N CB 0.102 38.583 38.487 -0.011 0.000 0.983 69 N HN 0.412 nan 8.380 nan 0.000 0.487 70 M N 0.126 119.712 119.600 -0.023 0.000 2.501 70 M HA 0.471 4.950 4.480 -0.001 0.000 0.293 70 M C -2.824 173.459 176.300 -0.028 0.000 1.192 70 M CA -2.006 53.288 55.300 -0.010 0.000 0.886 70 M CB 2.933 35.548 32.600 0.025 0.000 1.710 70 M HN -0.305 nan 8.290 nan 0.000 0.457 71 P HA 0.138 nan 4.420 nan 0.000 0.270 71 P C -0.933 176.380 177.300 0.022 0.000 1.223 71 P CA -0.100 62.986 63.100 -0.023 0.000 0.785 71 P CB 0.487 32.196 31.700 0.015 0.000 0.923 72 T N 1.273 115.862 114.554 0.060 0.000 3.009 72 T HA 0.190 4.539 4.350 -0.001 0.000 0.346 72 T C 0.243 175.084 174.700 0.235 0.000 1.092 72 T CA -0.323 61.852 62.100 0.124 0.000 1.080 72 T CB 0.200 69.148 68.868 0.133 0.000 1.037 72 T HN 0.339 nan 8.240 nan 0.000 0.487 73 E N 3.002 123.290 120.200 0.146 0.000 2.463 73 E HA 0.093 4.442 4.350 -0.001 0.000 0.193 73 E C 0.720 177.318 176.600 -0.004 0.000 1.041 73 E CA -0.230 56.267 56.400 0.162 0.000 0.879 73 E CB 0.038 29.814 29.700 0.127 0.000 0.997 73 E HN 0.476 nan 8.360 nan 0.000 0.478 74 M N -0.803 118.728 119.600 -0.115 0.000 2.763 74 M HA -0.246 4.233 4.480 -0.001 0.000 0.178 74 M C 1.057 177.155 176.300 -0.337 0.000 0.620 74 M CA 1.403 56.523 55.300 -0.300 0.000 0.594 74 M CB -2.895 29.328 32.600 -0.628 0.000 2.167 74 M HN 0.464 nan 8.290 nan 0.000 0.512 75 G N 0.378 109.073 108.800 -0.176 0.000 2.225 75 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.267 75 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.267 75 G C 0.061 174.852 174.900 -0.181 0.000 1.024 75 G CA 0.984 45.999 45.100 -0.141 0.000 0.784 75 G HN 1.114 nan 8.290 nan 0.000 0.507 76 S N -1.500 114.080 115.700 -0.200 0.000 2.541 76 S HA 0.577 5.047 4.470 -0.001 0.000 0.280 76 S C 1.085 175.699 174.600 0.022 0.000 1.112 76 S CA 0.240 58.358 58.200 -0.136 0.000 0.925 76 S CB 1.295 64.262 63.200 -0.390 0.000 1.067 76 S HN 0.286 nan 8.310 nan 0.000 0.479 77 E N 2.814 123.044 120.200 0.049 0.000 2.265 77 E HA -0.078 4.272 4.350 -0.001 0.000 0.196 77 E C 1.374 178.006 176.600 0.053 0.000 0.996 77 E CA 1.132 57.564 56.400 0.054 0.000 0.832 77 E CB -0.210 29.516 29.700 0.042 0.000 0.756 77 E HN 0.696 nan 8.360 nan 0.000 0.491 78 I N -0.003 120.619 120.570 0.086 0.000 2.454 78 I HA -0.249 3.921 4.170 -0.001 0.000 0.254 78 I C 1.006 177.035 176.117 -0.146 0.000 1.156 78 I CA 1.166 62.455 61.300 -0.019 0.000 1.433 78 I CB -0.026 38.067 38.000 0.156 0.000 1.082 78 I HN 0.127 nan 8.210 nan 0.000 0.432 79 Y N 0.128 120.456 120.300 0.047 0.000 2.720 79 Y HA 0.283 4.832 4.550 -0.001 0.000 0.277 79 Y C 0.778 176.760 175.900 0.136 0.000 1.144 79 Y CA -0.896 57.257 58.100 0.087 0.000 1.221 79 Y CB -0.077 38.420 38.460 0.061 0.000 1.163 79 Y HN -0.064 nan 8.280 nan 0.000 0.537 80 R N 0.939 121.538 120.500 0.165 0.000 2.502 80 R HA 0.275 4.615 4.340 -0.001 0.000 0.292 80 R C 1.294 177.688 176.300 0.157 0.000 0.998 80 R CA 1.110 57.290 56.100 0.133 0.000 1.056 80 R CB -0.333 30.014 30.300 0.077 0.000 0.939 80 R HN 0.580 nan 8.270 nan 0.000 0.411 81 G N 3.710 112.600 108.800 0.149 0.000 2.168 81 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.263 81 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.263 81 G C 0.018 175.025 174.900 0.177 0.000 0.977 81 G CA 0.232 45.408 45.100 0.127 0.000 0.659 81 G HN 0.718 nan 8.290 nan 0.000 0.533 82 W N 1.168 122.518 121.300 0.083 0.000 2.308 82 W HA 0.567 5.227 4.660 -0.001 0.000 0.324 82 W C -0.014 176.555 176.519 0.083 0.000 1.387 82 W CA -0.062 57.347 57.345 0.106 0.000 1.250 82 W CB 0.814 30.419 29.460 0.243 0.000 1.257 82 W HN 0.193 nan 8.180 nan 0.000 0.554 83 Q N 8.286 127.504 119.800 -0.969 0.000 2.363 83 Q HA 0.388 4.728 4.340 -0.001 0.000 0.265 83 Q C -2.480 172.856 176.000 -1.105 0.000 1.032 83 Q CA -2.161 53.152 55.803 -0.816 0.000 0.746 83 Q CB 1.467 29.955 28.738 -0.417 0.000 1.237 83 Q HN 0.146 nan 8.270 nan 0.000 0.475 84 P HA 0.114 nan 4.420 nan 0.000 0.269 84 P C -0.141 177.008 177.300 -0.252 0.000 1.209 84 P CA -0.233 62.634 63.100 -0.389 0.000 0.776 84 P CB 0.944 32.589 31.700 -0.092 0.000 0.876 85 R N 1.879 122.297 120.500 -0.137 0.000 2.090 85 R HA -0.001 4.338 4.340 -0.001 0.000 0.228 85 R C 0.433 176.702 176.300 -0.051 0.000 1.110 85 R CA 1.465 57.512 56.100 -0.087 0.000 0.973 85 R CB -0.480 29.799 30.300 -0.036 0.000 0.869 85 R HN 0.609 nan 8.270 nan 0.000 0.440 86 S N -0.855 114.830 115.700 -0.025 0.000 2.634 86 S HA 0.464 4.933 4.470 -0.001 0.000 0.296 86 S C -1.064 173.534 174.600 -0.003 0.000 1.104 86 S CA -1.152 57.042 58.200 -0.010 0.000 0.920 86 S CB 1.876 65.079 63.200 0.006 0.000 1.111 86 S HN 0.058 nan 8.310 nan 0.000 0.493 87 D N 1.382 121.783 120.400 0.001 0.000 2.304 87 D HA 0.502 5.141 4.640 -0.001 0.000 0.250 87 D C 0.384 176.695 176.300 0.018 0.000 1.107 87 D CA 0.111 54.116 54.000 0.008 0.000 0.885 87 D CB 1.529 42.334 40.800 0.007 0.000 1.192 87 D HN 0.828 nan 8.370 nan 0.000 0.436 88 A N 3.935 126.770 122.820 0.025 0.000 2.445 88 A HA 0.222 4.542 4.320 -0.001 0.000 0.242 88 A C -1.331 176.266 177.584 0.022 0.000 1.075 88 A CA -0.836 51.218 52.037 0.029 0.000 0.777 88 A CB 0.159 19.182 19.000 0.037 0.000 1.013 88 A HN 0.333 nan 8.150 nan 0.000 0.493 89 P HA -0.229 nan 4.420 nan 0.000 0.217 89 P C 1.611 178.918 177.300 0.012 0.000 1.158 89 P CA 2.416 65.525 63.100 0.015 0.000 0.887 89 P CB -0.293 31.415 31.700 0.014 0.000 0.792 90 V N -3.454 116.468 119.914 0.014 0.000 2.490 90 V HA -0.189 3.930 4.120 -0.001 0.000 0.250 90 V C 2.117 178.216 176.094 0.009 0.000 1.061 90 V CA 1.876 64.181 62.300 0.009 0.000 1.064 90 V CB -1.818 30.013 31.823 0.012 0.000 0.670 90 V HN -0.041 nan 8.190 nan 0.000 0.461 91 V N -0.265 119.658 119.914 0.015 0.000 2.427 91 V HA -0.183 3.937 4.120 -0.001 0.000 0.248 91 V C 2.744 178.845 176.094 0.011 0.000 1.051 91 V CA 2.277 64.586 62.300 0.015 0.000 1.048 91 V CB -0.582 31.253 31.823 0.020 0.000 0.666 91 V HN 0.403 nan 8.190 nan 0.000 0.456 92 M N -1.133 118.473 119.600 0.010 0.000 2.229 92 M HA -0.116 4.363 4.480 -0.001 0.000 0.264 92 M C 2.173 178.476 176.300 0.005 0.000 1.063 92 M CA 1.744 57.049 55.300 0.008 0.000 1.114 92 M CB -0.949 31.656 32.600 0.008 0.000 1.387 92 M HN 0.332 nan 8.290 nan 0.000 0.420 93 M N -0.402 119.199 119.600 0.003 0.000 2.117 93 M HA -0.218 4.261 4.480 -0.001 0.000 0.262 93 M C 2.131 178.429 176.300 -0.005 0.000 1.065 93 M CA 1.465 56.764 55.300 -0.002 0.000 1.114 93 M CB -0.518 32.078 32.600 -0.007 0.000 1.361 93 M HN 0.206 nan 8.290 nan 0.000 0.408 94 L N -0.156 121.064 121.223 -0.004 0.000 2.027 94 L HA -0.199 4.141 4.340 -0.001 0.000 0.206 94 L C 2.512 179.382 176.870 0.000 0.000 1.074 94 L CA 1.314 56.151 54.840 -0.004 0.000 0.745 94 L CB -0.606 41.453 42.059 -0.000 0.000 0.898 94 L HN 0.252 nan 8.230 nan 0.000 0.433 95 K N 0.013 120.416 120.400 0.005 0.000 2.057 95 K HA -0.154 4.165 4.320 -0.001 0.000 0.207 95 K C 2.201 178.804 176.600 0.005 0.000 1.049 95 K CA 1.186 57.477 56.287 0.006 0.000 0.931 95 K CB -0.201 32.303 32.500 0.008 0.000 0.714 95 K HN 0.271 nan 8.250 nan 0.000 0.440 96 R N 0.474 120.977 120.500 0.004 0.000 2.152 96 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 96 R C 2.039 178.341 176.300 0.004 0.000 1.117 96 R CA 1.029 57.132 56.100 0.005 0.000 0.981 96 R CB -0.179 30.124 30.300 0.005 0.000 0.870 96 R HN 0.164 nan 8.270 nan 0.000 0.451 97 A N -0.162 122.659 122.820 0.002 0.000 2.238 97 A HA 0.208 4.527 4.320 -0.001 0.000 0.208 97 A C 1.364 178.949 177.584 0.001 0.000 1.177 97 A CA 0.825 52.862 52.037 0.001 0.000 0.804 97 A CB 0.047 19.045 19.000 -0.004 0.000 0.823 97 A HN 0.440 nan 8.150 nan 0.000 0.482 98 G N -2.243 106.558 108.800 0.003 0.000 2.159 98 G HA2 0.131 4.091 3.960 -0.001 0.000 0.227 98 G HA3 0.131 4.091 3.960 -0.001 0.000 0.227 98 G C 0.430 175.332 174.900 0.002 0.000 0.986 98 G CA 0.202 45.304 45.100 0.003 0.000 0.651 98 G HN 1.485 nan 8.290 nan 0.000 0.523 99 A N -0.217 122.604 122.820 0.001 0.000 2.366 99 A HA 0.727 5.046 4.320 -0.001 0.000 0.249 99 A C 0.570 178.158 177.584 0.006 0.000 1.084 99 A CA 1.019 53.056 52.037 0.001 0.000 0.794 99 A CB 0.536 19.535 19.000 -0.001 0.000 1.034 99 A HN 0.751 nan 8.150 nan 0.000 0.491 100 T N 2.743 117.299 114.554 0.004 0.000 2.772 100 T HA 0.374 4.723 4.350 -0.001 0.000 0.288 100 T C -0.051 174.660 174.700 0.019 0.000 0.994 100 T CA -0.206 61.900 62.100 0.011 0.000 0.951 100 T CB 0.289 69.159 68.868 0.003 0.000 0.933 100 T HN 0.376 nan 8.240 nan 0.000 0.447 101 I N 4.744 125.334 120.570 0.033 0.000 2.389 101 I HA 0.160 4.330 4.170 -0.001 0.000 0.295 101 I C 1.295 177.456 176.117 0.073 0.000 1.117 101 I CA -0.007 61.323 61.300 0.051 0.000 1.317 101 I CB -0.161 37.868 38.000 0.048 0.000 1.431 101 I HN 0.748 nan 8.210 nan 0.000 0.521 102 I N 4.626 125.245 120.570 0.081 0.000 3.419 102 I HA 0.171 4.341 4.170 -0.001 0.000 0.286 102 I C 0.913 177.139 176.117 0.180 0.000 1.268 102 I CA 0.377 61.734 61.300 0.096 0.000 1.414 102 I CB 0.385 38.365 38.000 -0.033 0.000 1.074 102 I HN 0.733 nan 8.210 nan 0.000 0.457 103 G N 0.280 109.224 108.800 0.240 0.000 2.321 103 G HA2 0.152 4.111 3.960 -0.001 0.000 0.298 103 G HA3 0.152 4.111 3.960 -0.001 0.000 0.298 103 G C -1.800 173.295 174.900 0.324 0.000 1.385 103 G CA -0.857 44.438 45.100 0.326 0.000 0.856 103 G HN -0.186 nan 8.290 nan 0.000 0.584 104 K N 1.403 121.975 120.400 0.286 0.000 2.213 104 K HA 0.612 4.931 4.320 -0.001 0.000 0.270 104 K C 0.414 177.047 176.600 0.055 0.000 1.002 104 K CA -0.471 55.897 56.287 0.134 0.000 0.868 104 K CB 1.360 33.917 32.500 0.096 0.000 1.093 104 K HN 0.875 nan 8.250 nan 0.000 0.454 105 T N -1.506 112.961 114.554 -0.145 0.000 2.922 105 T HA 0.249 4.598 4.350 -0.001 0.000 0.285 105 T C 0.549 175.147 174.700 -0.170 0.000 1.005 105 T CA -0.784 61.117 62.100 -0.331 0.000 1.061 105 T CB 0.679 69.252 68.868 -0.492 0.000 1.007 105 T HN 0.558 nan 8.240 nan 0.000 0.502 106 T N 0.006 114.465 114.554 -0.157 0.000 2.937 106 T HA 0.382 4.731 4.350 -0.001 0.000 0.316 106 T C 0.186 174.834 174.700 -0.086 0.000 1.079 106 T CA -0.475 61.575 62.100 -0.083 0.000 1.131 106 T CB 0.522 69.359 68.868 -0.053 0.000 1.000 106 T HN 0.962 nan 8.240 nan 0.000 0.549 107 T N 1.494 116.014 114.554 -0.057 0.000 2.916 107 T HA 0.570 4.920 4.350 -0.001 0.000 0.305 107 T C 0.143 174.820 174.700 -0.038 0.000 1.119 107 T CA -0.390 61.681 62.100 -0.047 0.000 1.008 107 T CB 1.362 70.203 68.868 -0.044 0.000 1.129 107 T HN 1.132 nan 8.240 nan 0.000 0.480 108 T N 1.907 116.451 114.554 -0.017 0.000 2.856 108 T HA 0.539 4.888 4.350 -0.001 0.000 0.306 108 T C 0.820 175.508 174.700 -0.020 0.000 1.062 108 T CA -0.318 61.780 62.100 -0.002 0.000 1.083 108 T CB 0.181 69.064 68.868 0.024 0.000 0.984 108 T HN 1.025 nan 8.240 nan 0.000 0.542 109 A N 1.905 124.716 122.820 -0.014 0.000 2.553 109 A HA 0.371 4.690 4.320 -0.001 0.000 0.258 109 A C 0.563 178.188 177.584 0.067 0.000 1.069 109 A CA -0.412 51.575 52.037 -0.082 0.000 0.767 109 A CB -1.509 17.518 19.000 0.046 0.000 0.997 109 A HN 1.068 nan 8.150 nan 0.000 0.512 110 F N 0.399 120.396 119.950 0.077 0.000 3.100 110 F HA -0.267 4.259 4.527 -0.001 0.000 0.283 110 F C 1.401 177.297 175.800 0.159 0.000 0.900 110 F CA 1.387 59.454 58.000 0.112 0.000 1.010 110 F CB -2.054 37.030 39.000 0.140 0.000 1.029 110 F HN 1.816 nan 8.300 nan 0.000 0.637 111 A N -1.108 121.803 122.820 0.152 0.000 2.822 111 A HA -0.152 4.168 4.320 -0.001 0.000 0.287 111 A C 1.047 178.634 177.584 0.004 0.000 1.479 111 A CA 1.242 53.320 52.037 0.068 0.000 0.779 111 A CB -1.650 17.385 19.000 0.058 0.000 1.022 111 A HN 0.861 nan 8.150 nan 0.000 0.532 112 S N -1.655 114.097 115.700 0.087 0.000 2.638 112 S HA 0.622 5.092 4.470 -0.001 0.000 0.256 112 S C 1.571 176.194 174.600 0.039 0.000 1.089 112 S CA -0.154 58.078 58.200 0.053 0.000 1.020 112 S CB 0.368 63.694 63.200 0.210 0.000 1.252 112 S HN 0.475 nan 8.310 nan 0.000 0.542 113 R N 1.441 121.975 120.500 0.057 0.000 2.200 113 R HA 0.211 4.551 4.340 -0.001 0.000 0.208 113 R C -0.339 175.994 176.300 0.055 0.000 1.033 113 R CA 0.350 56.480 56.100 0.050 0.000 1.000 113 R CB -0.999 29.331 30.300 0.050 0.000 0.906 113 R HN 0.567 nan 8.270 nan 0.000 0.462 114 D N 3.477 123.917 120.400 0.066 0.000 2.389 114 D HA 0.070 4.710 4.640 -0.001 0.000 0.263 114 D C -2.162 174.165 176.300 0.044 0.000 1.255 114 D CA -0.955 53.079 54.000 0.056 0.000 0.914 114 D CB 0.728 41.568 40.800 0.067 0.000 1.116 114 D HN -0.035 nan 8.370 nan 0.000 0.502 115 P HA -0.061 nan 4.420 nan 0.000 0.265 115 P C 0.395 177.711 177.300 0.026 0.000 1.187 115 P CA 0.121 63.242 63.100 0.035 0.000 0.766 115 P CB 0.579 32.299 31.700 0.034 0.000 0.820 116 T N -0.908 113.660 114.554 0.023 0.000 2.852 116 T HA 0.528 4.877 4.350 -0.001 0.000 0.281 116 T C 1.101 175.814 174.700 0.021 0.000 0.993 116 T CA -0.194 61.915 62.100 0.015 0.000 0.933 116 T CB 0.706 69.578 68.868 0.008 0.000 1.187 116 T HN 0.237 nan 8.240 nan 0.000 0.559 117 A N -0.015 122.816 122.820 0.017 0.000 2.251 117 A HA 0.308 4.628 4.320 -0.001 0.000 0.209 117 A C 1.234 178.874 177.584 0.094 0.000 1.187 117 A CA -0.166 51.885 52.037 0.023 0.000 0.823 117 A CB -0.996 17.977 19.000 -0.045 0.000 0.846 117 A HN 0.832 nan 8.150 nan 0.000 0.486 118 T N 1.165 115.770 114.554 0.085 0.000 2.946 118 T HA 0.387 4.736 4.350 -0.001 0.000 0.311 118 T C -0.082 174.669 174.700 0.085 0.000 1.063 118 T CA 0.655 62.813 62.100 0.097 0.000 1.139 118 T CB 0.360 69.245 68.868 0.029 0.000 0.994 118 T HN 0.249 nan 8.240 nan 0.000 0.547 119 L N 2.704 123.968 121.223 0.070 0.000 2.333 119 L HA 0.454 4.793 4.340 -0.001 0.000 0.269 119 L C 0.641 177.527 176.870 0.026 0.000 1.010 119 L CA -1.204 53.666 54.840 0.050 0.000 0.818 119 L CB 1.353 43.438 42.059 0.042 0.000 1.306 119 L HN 0.534 nan 8.230 nan 0.000 0.430 120 N N 2.425 121.160 118.700 0.057 0.000 2.452 120 N HA 0.057 4.796 4.740 -0.001 0.000 0.266 120 N C -1.926 173.595 175.510 0.018 0.000 1.209 120 N CA -1.101 51.991 53.050 0.070 0.000 0.929 120 N CB 1.670 40.230 38.487 0.121 0.000 1.063 120 N HN 0.309 nan 8.380 nan 0.000 0.472 121 P HA -0.122 nan 4.420 nan 0.000 0.218 121 P C 0.664 177.817 177.300 -0.247 0.000 1.148 121 P CA 1.321 64.308 63.100 -0.188 0.000 0.822 121 P CB 0.118 31.644 31.700 -0.291 0.000 0.784 122 H N -2.891 116.173 119.070 -0.010 0.000 2.512 122 H HA 0.154 4.710 4.556 -0.001 0.000 0.279 122 H C 0.534 175.850 175.328 -0.021 0.000 0.999 122 H CA 0.844 56.880 56.048 -0.020 0.000 1.283 122 H CB 0.143 29.887 29.762 -0.031 0.000 1.421 122 H HN 0.144 nan 8.280 nan 0.000 0.554 123 N N 0.447 119.202 118.700 0.091 0.000 2.976 123 N HA -0.069 4.670 4.740 -0.001 0.000 0.249 123 N C 0.500 176.078 175.510 0.113 0.000 1.258 123 N CA 0.233 53.337 53.050 0.090 0.000 0.864 123 N CB 0.812 39.349 38.487 0.084 0.000 1.551 123 N HN 0.094 nan 8.380 nan 0.000 0.607 124 T N -1.050 113.542 114.554 0.064 0.000 3.118 124 T HA -0.033 4.316 4.350 -0.001 0.000 0.269 124 T C 1.491 176.226 174.700 0.060 0.000 1.166 124 T CA 1.273 63.402 62.100 0.048 0.000 1.073 124 T CB -0.167 68.712 68.868 0.017 0.000 0.884 124 T HN 0.434 nan 8.240 nan 0.000 0.550 125 G N -0.461 108.394 108.800 0.091 0.000 3.042 125 G HA2 0.180 4.139 3.960 -0.001 0.000 0.212 125 G HA3 0.180 4.139 3.960 -0.001 0.000 0.212 125 G C 0.318 175.134 174.900 -0.140 0.000 1.166 125 G CA -0.368 44.734 45.100 0.003 0.000 0.767 125 G HN 0.573 nan 8.290 nan 0.000 0.546 126 H N -0.480 118.583 119.070 -0.011 0.000 2.771 126 H HA 0.417 4.973 4.556 -0.001 0.000 0.367 126 H C -0.575 174.740 175.328 -0.022 0.000 1.172 126 H CA -0.586 55.442 56.048 -0.034 0.000 1.186 126 H CB 2.038 31.764 29.762 -0.061 0.000 1.790 126 H HN 0.098 nan 8.280 nan 0.000 0.556 127 S N 1.759 117.500 115.700 0.068 0.000 2.580 127 S HA 0.084 4.554 4.470 -0.001 0.000 0.274 127 S C -1.628 173.034 174.600 0.103 0.000 1.329 127 S CA -1.208 57.031 58.200 0.064 0.000 1.036 127 S CB 0.662 63.896 63.200 0.056 0.000 0.919 127 S HN 0.522 nan 8.310 nan 0.000 0.515 128 P HA 0.262 nan 4.420 nan 0.000 0.255 128 P C 0.721 178.185 177.300 0.274 0.000 1.248 128 P CA 0.532 63.730 63.100 0.164 0.000 0.807 128 P CB -0.493 31.250 31.700 0.072 0.000 1.150 129 G N -0.907 108.101 108.800 0.346 0.000 2.685 129 G HA2 0.241 4.200 3.960 -0.001 0.000 0.387 129 G HA3 0.241 4.200 3.960 -0.001 0.000 0.387 129 G C -0.459 174.534 174.900 0.155 0.000 1.324 129 G CA -0.666 44.664 45.100 0.383 0.000 0.878 129 G HN 0.560 nan 8.290 nan 0.000 0.527 130 G N -2.344 106.514 108.800 0.097 0.000 2.608 130 G HA2 0.763 4.722 3.960 -0.001 0.000 0.291 130 G HA3 0.763 4.722 3.960 -0.001 0.000 0.291 130 G C 0.800 175.722 174.900 0.037 0.000 1.425 130 G CA 0.823 45.955 45.100 0.054 0.000 0.787 130 G HN 2.065 nan 8.290 nan 0.000 0.484 131 S N -1.174 114.541 115.700 0.026 0.000 2.527 131 S HA 0.067 4.537 4.470 -0.001 0.000 0.222 131 S C 1.221 175.825 174.600 0.006 0.000 0.985 131 S CA 0.820 59.029 58.200 0.016 0.000 0.921 131 S CB 0.189 63.391 63.200 0.003 0.000 0.772 131 S HN 0.409 nan 8.310 nan 0.000 0.529 132 S N 2.624 118.337 115.700 0.022 0.000 3.456 132 S HA 0.262 4.731 4.470 -0.001 0.000 0.229 132 S C 1.167 175.678 174.600 -0.149 0.000 1.416 132 S CA -0.272 57.907 58.200 -0.035 0.000 1.197 132 S CB -0.372 62.883 63.200 0.091 0.000 1.201 132 S HN 0.512 nan 8.310 nan 0.000 0.479 133 S N 2.356 117.999 115.700 -0.095 0.000 2.359 133 S HA -0.145 4.325 4.470 -0.001 0.000 0.222 133 S C 2.357 176.848 174.600 -0.181 0.000 1.038 133 S CA 1.539 59.682 58.200 -0.095 0.000 1.051 133 S CB -0.808 62.370 63.200 -0.036 0.000 0.944 133 S HN 0.733 nan 8.310 nan 0.000 0.433 134 G N 1.082 109.757 108.800 -0.207 0.000 2.440 134 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.218 134 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.218 134 G C 1.591 176.231 174.900 -0.433 0.000 1.154 134 G CA 1.204 46.126 45.100 -0.296 0.000 0.767 134 G HN 0.517 nan 8.290 nan 0.000 0.552 135 S N 0.974 116.376 115.700 -0.496 0.000 2.368 135 S HA -0.025 4.445 4.470 -0.001 0.000 0.225 135 S C 2.787 176.897 174.600 -0.818 0.000 1.030 135 S CA 1.284 59.093 58.200 -0.651 0.000 0.999 135 S CB -0.382 62.390 63.200 -0.715 0.000 0.844 135 S HN 0.596 nan 8.310 nan 0.000 0.459 136 A N 1.519 123.776 122.820 -0.940 0.000 1.873 136 A HA 0.177 4.497 4.320 -0.001 0.000 0.215 136 A C 2.365 179.803 177.584 -0.244 0.000 1.186 136 A CA 1.634 53.307 52.037 -0.607 0.000 0.616 136 A CB -1.127 17.680 19.000 -0.323 0.000 0.823 136 A HN 0.506 nan 8.150 nan 0.000 0.442 137 A N -0.066 122.626 122.820 -0.214 0.000 1.902 137 A HA 0.150 4.470 4.320 -0.001 0.000 0.217 137 A C 2.511 180.014 177.584 -0.135 0.000 1.181 137 A CA 2.155 54.116 52.037 -0.127 0.000 0.623 137 A CB -1.048 17.889 19.000 -0.105 0.000 0.818 137 A HN 1.049 nan 8.150 nan 0.000 0.443 138 A N -0.621 122.079 122.820 -0.201 0.000 1.877 138 A HA -0.023 4.296 4.320 -0.001 0.000 0.216 138 A C 2.245 179.784 177.584 -0.076 0.000 1.186 138 A CA 1.910 53.864 52.037 -0.139 0.000 0.620 138 A CB -0.938 17.887 19.000 -0.290 0.000 0.822 138 A HN 0.404 nan 8.150 nan 0.000 0.443 139 V N -0.202 119.653 119.914 -0.099 0.000 2.358 139 V HA -0.128 3.992 4.120 -0.001 0.000 0.246 139 V C 2.792 178.876 176.094 -0.017 0.000 1.047 139 V CA 1.834 64.115 62.300 -0.032 0.000 1.035 139 V CB -1.364 30.466 31.823 0.013 0.000 0.658 139 V HN 0.615 nan 8.190 nan 0.000 0.452 140 G N -0.423 108.364 108.800 -0.021 0.000 2.448 140 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.219 140 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.219 140 G C 1.427 176.270 174.900 -0.097 0.000 1.127 140 G CA 0.854 45.951 45.100 -0.005 0.000 0.766 140 G HN 0.624 nan 8.290 nan 0.000 0.552 141 A N -0.295 122.467 122.820 -0.098 0.000 2.275 141 A HA 0.495 4.815 4.320 -0.001 0.000 0.212 141 A C 1.880 179.423 177.584 -0.069 0.000 1.201 141 A CA 1.103 53.073 52.037 -0.111 0.000 0.843 141 A CB -0.411 18.535 19.000 -0.091 0.000 0.873 141 A HN 1.515 nan 8.150 nan 0.000 0.492 142 G N -0.788 107.985 108.800 -0.046 0.000 2.176 142 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.252 142 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.252 142 G C 0.707 175.593 174.900 -0.023 0.000 1.024 142 G CA 0.738 45.820 45.100 -0.030 0.000 0.755 142 G HN 0.400 nan 8.290 nan 0.000 0.507 143 M N -0.704 118.890 119.600 -0.011 0.000 2.325 143 M HA 0.309 4.789 4.480 -0.001 0.000 0.265 143 M C 1.459 177.759 176.300 -0.001 0.000 1.094 143 M CA 1.494 56.796 55.300 0.003 0.000 1.161 143 M CB 0.111 32.756 32.600 0.075 0.000 1.358 143 M HN 0.585 nan 8.290 nan 0.000 0.446 144 I N -3.763 116.816 120.570 0.015 0.000 2.894 144 I HA 0.381 4.551 4.170 -0.001 0.000 0.302 144 I C -2.428 173.689 176.117 -0.001 0.000 1.188 144 I CA -2.109 59.196 61.300 0.009 0.000 1.014 144 I CB 2.031 40.064 38.000 0.055 0.000 1.242 144 I HN -0.213 nan 8.210 nan 0.000 0.430 145 P HA 0.111 nan 4.420 nan 0.000 0.231 145 P C -0.128 177.171 177.300 -0.001 0.000 1.168 145 P CA 0.671 63.764 63.100 -0.011 0.000 0.779 145 P CB 0.779 32.466 31.700 -0.021 0.000 0.844 146 L N -0.917 120.312 121.223 0.009 0.000 2.506 146 L HA 0.762 5.102 4.340 -0.001 0.000 0.257 146 L C -1.973 174.921 176.870 0.039 0.000 0.964 146 L CA -0.950 53.905 54.840 0.025 0.000 0.836 146 L CB 2.214 44.276 42.059 0.005 0.000 1.384 146 L HN -0.084 nan 8.230 nan 0.000 0.410 147 A N 4.112 126.982 122.820 0.084 0.000 2.547 147 A HA 0.758 5.077 4.320 -0.001 0.000 0.297 147 A C -1.987 175.711 177.584 0.190 0.000 1.056 147 A CA -0.528 51.554 52.037 0.075 0.000 0.688 147 A CB 1.336 20.310 19.000 -0.044 0.000 1.282 147 A HN 0.656 nan 8.150 nan 0.000 0.400 148 L N 1.812 123.107 121.223 0.121 0.000 2.309 148 L HA 0.748 5.087 4.340 -0.001 0.000 0.282 148 L C 0.822 177.806 176.870 0.190 0.000 1.036 148 L CA -0.291 54.640 54.840 0.151 0.000 0.806 148 L CB 1.794 43.896 42.059 0.072 0.000 1.220 148 L HN 0.957 nan 8.230 nan 0.000 0.429 149 G N 0.786 109.759 108.800 0.289 0.000 3.086 149 G HA2 0.768 4.728 3.960 -0.001 0.000 0.282 149 G HA3 0.768 4.728 3.960 -0.001 0.000 0.282 149 G C -1.075 173.935 174.900 0.183 0.000 1.343 149 G CA -0.239 45.042 45.100 0.300 0.000 0.895 149 G HN 0.536 nan 8.290 nan 0.000 0.557 150 T N -2.885 111.767 114.554 0.163 0.000 2.883 150 T HA 0.703 5.052 4.350 -0.001 0.000 0.301 150 T C -1.108 173.657 174.700 0.108 0.000 1.158 150 T CA -0.665 61.505 62.100 0.117 0.000 1.007 150 T CB 2.237 71.167 68.868 0.103 0.000 1.186 150 T HN 0.720 nan 8.240 nan 0.000 0.499 151 Q N 0.158 120.020 119.800 0.104 0.000 2.285 151 Q HA 0.584 4.924 4.340 -0.001 0.000 0.269 151 Q C -0.660 175.406 176.000 0.110 0.000 1.030 151 Q CA -0.667 55.193 55.803 0.095 0.000 0.788 151 Q CB 2.088 30.882 28.738 0.094 0.000 1.266 151 Q HN 0.860 nan 8.270 nan 0.000 0.438 152 T N 1.427 116.024 114.554 0.072 0.000 2.989 152 T HA 0.252 4.601 4.350 -0.001 0.000 0.250 152 T C 0.629 175.414 174.700 0.142 0.000 0.981 152 T CA 0.684 62.832 62.100 0.079 0.000 0.980 152 T CB 0.648 69.500 68.868 -0.027 0.000 1.133 152 T HN 0.661 nan 8.240 nan 0.000 0.489 153 G N 0.606 109.440 108.800 0.057 0.000 2.621 153 G HA2 0.492 4.451 3.960 -0.001 0.000 0.209 153 G HA3 0.492 4.451 3.960 -0.001 0.000 0.209 153 G C 0.821 175.719 174.900 -0.003 0.000 1.379 153 G CA 0.498 45.589 45.100 -0.015 0.000 0.766 153 G HN 0.496 nan 8.290 nan 0.000 0.599 154 G N -0.026 108.781 108.800 0.013 0.000 5.432 154 G HA2 0.317 4.276 3.960 -0.001 0.000 0.221 154 G HA3 0.317 4.276 3.960 -0.001 0.000 0.221 154 G C 0.594 175.514 174.900 0.034 0.000 0.809 154 G CA 0.692 45.818 45.100 0.042 0.000 0.700 154 G HN 0.239 nan 8.290 nan 0.000 0.367 155 S N 0.078 115.803 115.700 0.042 0.000 2.603 155 S HA 0.037 4.506 4.470 -0.001 0.000 0.229 155 S C 1.904 176.593 174.600 0.149 0.000 0.972 155 S CA 0.591 58.832 58.200 0.068 0.000 0.935 155 S CB 0.357 63.587 63.200 0.051 0.000 0.769 155 S HN 0.277 nan 8.310 nan 0.000 0.536 156 V N 0.652 120.630 119.914 0.107 0.000 2.721 156 V HA 0.096 4.216 4.120 -0.001 0.000 0.236 156 V C 1.972 178.063 176.094 -0.005 0.000 1.116 156 V CA 0.323 62.663 62.300 0.067 0.000 1.148 156 V CB -0.230 31.525 31.823 -0.113 0.000 0.886 156 V HN 0.344 nan 8.190 nan 0.000 0.490 157 I N 0.690 121.245 120.570 -0.024 0.000 2.226 157 I HA -0.188 3.982 4.170 -0.001 0.000 0.245 157 I C 2.559 178.657 176.117 -0.032 0.000 1.100 157 I CA 1.742 63.026 61.300 -0.028 0.000 1.374 157 I CB -1.115 36.891 38.000 0.010 0.000 1.057 157 I HN 0.321 nan 8.210 nan 0.000 0.413 158 R N 1.352 121.813 120.500 -0.066 0.000 2.070 158 R HA -0.129 4.211 4.340 -0.001 0.000 0.233 158 R C -0.404 175.666 176.300 -0.383 0.000 1.137 158 R CA 1.987 57.926 56.100 -0.268 0.000 0.945 158 R CB -1.120 29.016 30.300 -0.273 0.000 0.845 158 R HN 0.234 nan 8.270 nan 0.000 0.430 159 P HA -0.104 nan 4.420 nan 0.000 0.218 159 P C 0.848 178.232 177.300 0.140 0.000 1.149 159 P CA 1.825 64.937 63.100 0.019 0.000 0.817 159 P CB -0.044 31.712 31.700 0.092 0.000 0.785 160 A N 0.880 123.839 122.820 0.232 0.000 1.877 160 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 160 A C 2.539 180.201 177.584 0.129 0.000 1.186 160 A CA 2.350 54.536 52.037 0.249 0.000 0.620 160 A CB -1.576 17.520 19.000 0.159 0.000 0.822 160 A HN 0.234 nan 8.150 nan 0.000 0.443 161 A N -1.220 121.630 122.820 0.051 0.000 1.877 161 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 161 A C 2.148 179.833 177.584 0.168 0.000 1.186 161 A CA 1.478 53.551 52.037 0.059 0.000 0.620 161 A CB -0.987 18.017 19.000 0.007 0.000 0.822 161 A HN 0.681 nan 8.150 nan 0.000 0.443 162 Y N -1.034 119.299 120.300 0.056 0.000 2.207 162 Y HA -0.292 4.257 4.550 -0.001 0.000 0.287 162 Y C 2.381 178.313 175.900 0.053 0.000 1.156 162 Y CA 0.784 58.910 58.100 0.043 0.000 1.182 162 Y CB -0.258 38.242 38.460 0.067 0.000 0.979 162 Y HN 0.378 nan 8.280 nan 0.000 0.521 163 C N -0.337 119.122 119.300 0.265 0.000 2.697 163 C HA 0.308 4.767 4.460 -0.001 0.000 0.267 163 C C 1.668 176.829 174.990 0.285 0.000 1.278 163 C CA 0.491 59.677 59.018 0.279 0.000 1.708 163 C CB -0.759 27.094 27.740 0.189 0.000 1.860 163 C HN 0.791 nan 8.230 nan 0.000 0.589 164 G N 2.508 111.381 108.800 0.121 0.000 2.273 164 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.280 164 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.280 164 G C 0.130 175.095 174.900 0.107 0.000 1.047 164 G CA 0.812 45.948 45.100 0.059 0.000 0.869 164 G HN 0.700 nan 8.290 nan 0.000 0.502 165 T N -2.776 111.851 114.554 0.122 0.000 2.950 165 T HA 0.867 5.216 4.350 -0.001 0.000 0.288 165 T C 0.423 175.165 174.700 0.071 0.000 1.035 165 T CA 0.337 62.502 62.100 0.109 0.000 1.028 165 T CB 2.218 71.185 68.868 0.166 0.000 1.109 165 T HN 1.721 nan 8.240 nan 0.000 0.514 166 A N 1.038 123.876 122.820 0.029 0.000 2.371 166 A HA 0.812 5.131 4.320 -0.001 0.000 0.257 166 A C 0.382 177.934 177.584 -0.055 0.000 1.089 166 A CA -0.207 51.815 52.037 -0.025 0.000 0.794 166 A CB -0.348 18.615 19.000 -0.061 0.000 1.029 166 A HN 1.820 nan 8.150 nan 0.000 0.488 167 A N 1.073 123.815 122.820 -0.131 0.000 2.605 167 A HA 0.684 5.004 4.320 -0.001 0.000 0.294 167 A C -1.142 176.294 177.584 -0.247 0.000 1.062 167 A CA -0.248 51.614 52.037 -0.291 0.000 0.682 167 A CB 0.827 19.524 19.000 -0.505 0.000 1.278 167 A HN 1.631 nan 8.150 nan 0.000 0.410 168 I N 0.781 121.177 120.570 -0.289 0.000 2.607 168 I HA 0.500 4.669 4.170 -0.001 0.000 0.290 168 I C -0.781 175.233 176.117 -0.171 0.000 1.129 168 I CA -0.523 60.668 61.300 -0.182 0.000 1.042 168 I CB 1.738 39.665 38.000 -0.122 0.000 1.242 168 I HN 0.671 nan 8.210 nan 0.000 0.421 169 K N 9.156 129.501 120.400 -0.093 0.000 2.300 169 K HA 0.510 4.830 4.320 -0.001 0.000 0.264 169 K C -2.658 173.954 176.600 0.020 0.000 1.083 169 K CA -1.650 54.621 56.287 -0.026 0.000 0.958 169 K CB 0.993 33.510 32.500 0.028 0.000 1.318 169 K HN 0.279 nan 8.250 nan 0.000 0.448 170 P HA -0.036 nan 4.420 nan 0.000 0.272 170 P C -0.563 176.776 177.300 0.065 0.000 1.248 170 P CA -0.149 62.967 63.100 0.027 0.000 0.799 170 P CB 0.484 32.188 31.700 0.006 0.000 0.997 171 S N 0.051 115.750 115.700 -0.002 0.000 2.558 171 S HA 0.020 4.490 4.470 -0.001 0.000 0.288 171 S C 0.156 174.859 174.600 0.173 0.000 1.318 171 S CA -0.152 58.020 58.200 -0.046 0.000 1.056 171 S CB -0.534 62.321 63.200 -0.575 0.000 0.853 171 S HN 0.287 nan 8.310 nan 0.000 0.505 172 F N 3.614 123.750 119.950 0.310 0.000 2.623 172 F HA -0.002 4.524 4.527 -0.002 0.000 0.386 172 F C 1.515 177.481 175.800 0.275 0.000 1.068 172 F CA 0.437 58.628 58.000 0.318 0.000 1.265 172 F CB -0.180 39.042 39.000 0.371 0.000 1.026 172 F HN 0.764 nan 8.300 nan 0.000 0.568 173 R N 2.929 123.139 120.500 -0.484 0.000 3.994 173 R HA -0.302 4.037 4.340 -0.001 0.000 0.403 173 R C 1.502 177.730 176.300 -0.120 0.000 1.126 173 R CA 1.211 57.066 56.100 -0.409 0.000 1.143 173 R CB -1.812 28.198 30.300 -0.482 0.000 1.695 173 R HN 0.824 nan 8.270 nan 0.000 0.555 174 M N 0.414 119.986 119.600 -0.046 0.000 2.229 174 M HA -0.010 4.469 4.480 -0.001 0.000 0.264 174 M C 0.182 176.475 176.300 -0.012 0.000 1.063 174 M CA 1.505 56.796 55.300 -0.016 0.000 1.114 174 M CB 0.353 32.951 32.600 -0.004 0.000 1.387 174 M HN 0.124 nan 8.290 nan 0.000 0.420 175 L N 1.929 123.137 121.223 -0.025 0.000 2.322 175 L HA 0.431 4.770 4.340 -0.001 0.000 0.281 175 L C -2.079 174.774 176.870 -0.028 0.000 1.014 175 L CA -2.230 52.598 54.840 -0.020 0.000 0.815 175 L CB 1.195 43.244 42.059 -0.017 0.000 1.247 175 L HN 0.019 nan 8.230 nan 0.000 0.421 176 P HA 0.037 nan 4.420 nan 0.000 0.268 176 P C 0.253 177.555 177.300 0.004 0.000 1.205 176 P CA -0.169 62.923 63.100 -0.013 0.000 0.771 176 P CB 0.902 32.600 31.700 -0.002 0.000 0.858 177 T N -1.879 112.681 114.554 0.011 0.000 3.105 177 T HA 0.140 4.490 4.350 -0.001 0.000 0.253 177 T C 0.735 175.468 174.700 0.054 0.000 1.047 177 T CA -0.314 61.813 62.100 0.045 0.000 0.944 177 T CB -0.418 68.493 68.868 0.072 0.000 1.016 177 T HN 0.093 nan 8.240 nan 0.000 0.544 178 V N 2.088 122.025 119.914 0.038 0.000 2.673 178 V HA 0.415 4.535 4.120 -0.001 0.000 0.303 178 V C 1.737 177.859 176.094 0.047 0.000 1.046 178 V CA 1.144 63.467 62.300 0.040 0.000 1.126 178 V CB -0.087 31.752 31.823 0.027 0.000 0.934 178 V HN 0.833 nan 8.190 nan 0.000 0.487 179 G N 3.545 112.379 108.800 0.057 0.000 2.153 179 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.252 179 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.252 179 G C -0.070 174.872 174.900 0.071 0.000 0.994 179 G CA 0.139 45.279 45.100 0.066 0.000 0.698 179 G HN 0.898 nan 8.290 nan 0.000 0.521 180 V N 0.487 120.445 119.914 0.075 0.000 2.326 180 V HA 0.455 4.574 4.120 -0.001 0.000 0.281 180 V C 0.639 176.791 176.094 0.097 0.000 1.015 180 V CA -1.272 61.077 62.300 0.081 0.000 0.823 180 V CB 1.573 33.447 31.823 0.084 0.000 1.009 180 V HN 0.373 nan 8.190 nan 0.000 0.436 181 K N 3.672 124.123 120.400 0.085 0.000 2.438 181 K HA -0.079 4.240 4.320 -0.001 0.000 0.270 181 K C -0.213 176.478 176.600 0.152 0.000 1.095 181 K CA 0.522 56.866 56.287 0.095 0.000 1.174 181 K CB -0.439 32.099 32.500 0.063 0.000 0.830 181 K HN 0.803 nan 8.250 nan 0.000 0.487 182 C N 5.902 125.301 119.300 0.165 0.000 2.463 182 C HA 0.379 4.839 4.460 -0.001 0.000 0.380 182 C C 0.900 176.031 174.990 0.235 0.000 1.264 182 C CA -0.555 58.595 59.018 0.220 0.000 2.161 182 C CB -0.435 27.453 27.740 0.246 0.000 2.515 182 C HN 0.942 nan 8.230 nan 0.000 0.565 183 Y N 2.712 123.080 120.300 0.114 0.000 2.673 183 Y HA 0.331 4.880 4.550 -0.001 0.000 0.278 183 Y C 1.120 177.007 175.900 -0.022 0.000 1.127 183 Y CA 0.869 58.997 58.100 0.047 0.000 1.261 183 Y CB 0.076 38.564 38.460 0.047 0.000 1.412 183 Y HN 0.630 nan 8.280 nan 0.000 0.496 184 S N 0.465 116.313 115.700 0.247 0.000 2.673 184 S HA 0.160 4.630 4.470 -0.001 0.000 0.256 184 S C -0.153 174.472 174.600 0.042 0.000 1.141 184 S CA -0.520 57.662 58.200 -0.030 0.000 1.109 184 S CB -0.711 62.479 63.200 -0.016 0.000 1.101 184 S HN 0.441 nan 8.310 nan 0.000 0.471 185 W N 3.975 125.375 121.300 0.167 0.000 2.424 185 W HA 0.095 4.754 4.660 -0.003 0.000 0.264 185 W C 1.397 178.092 176.519 0.293 0.000 1.229 185 W CA 0.989 58.455 57.345 0.203 0.000 1.208 185 W CB -0.682 28.871 29.460 0.156 0.000 1.127 185 W HN 0.670 nan 8.180 nan 0.000 0.588 186 A N 0.294 123.090 122.820 -0.039 0.000 2.123 186 A HA 0.173 4.492 4.320 -0.001 0.000 0.214 186 A C 1.951 179.466 177.584 -0.116 0.000 1.152 186 A CA 1.194 53.248 52.037 0.027 0.000 0.728 186 A CB -0.348 18.552 19.000 -0.167 0.000 0.814 186 A HN 0.470 nan 8.150 nan 0.000 0.464 187 L N -1.529 119.696 121.223 0.003 0.000 2.600 187 L HA 0.157 4.497 4.340 -0.001 0.000 0.213 187 L C -0.409 176.623 176.870 0.270 0.000 1.045 187 L CA -0.368 54.471 54.840 -0.002 0.000 0.863 187 L CB -0.319 41.713 42.059 -0.045 0.000 1.189 187 L HN 0.013 nan 8.230 nan 0.000 0.484 188 D N 2.356 122.930 120.400 0.290 0.000 2.772 188 D HA 0.038 4.678 4.640 -0.001 0.000 0.227 188 D C -0.172 176.334 176.300 0.343 0.000 1.114 188 D CA 1.052 55.221 54.000 0.282 0.000 0.832 188 D CB 0.407 41.362 40.800 0.258 0.000 1.154 188 D HN 0.064 nan 8.370 nan 0.000 0.514 189 T N 1.409 116.117 114.554 0.257 0.000 2.921 189 T HA 0.330 4.680 4.350 -0.001 0.000 0.297 189 T C 0.004 174.785 174.700 0.134 0.000 1.013 189 T CA -0.748 61.487 62.100 0.225 0.000 0.990 189 T CB 1.621 70.667 68.868 0.295 0.000 1.023 189 T HN -0.015 nan 8.240 nan 0.000 0.447 190 V N 2.705 122.673 119.914 0.090 0.000 2.614 190 V HA 0.673 4.792 4.120 -0.001 0.000 0.291 190 V C 0.926 177.037 176.094 0.028 0.000 1.049 190 V CA 0.045 62.381 62.300 0.060 0.000 1.038 190 V CB 1.186 33.032 31.823 0.038 0.000 0.980 190 V HN 1.078 nan 8.190 nan 0.000 0.481 191 G N 3.728 112.535 108.800 0.012 0.000 2.658 191 G HA2 0.737 4.696 3.960 -0.001 0.000 0.292 191 G HA3 0.737 4.696 3.960 -0.001 0.000 0.292 191 G C -1.800 173.036 174.900 -0.108 0.000 1.320 191 G CA -0.708 44.343 45.100 -0.082 0.000 0.933 191 G HN 0.446 nan 8.290 nan 0.000 0.476 192 L N -0.486 120.598 121.223 -0.232 0.000 2.354 192 L HA 0.687 5.026 4.340 -0.001 0.000 0.269 192 L C -1.069 175.582 176.870 -0.364 0.000 1.005 192 L CA -0.526 54.214 54.840 -0.167 0.000 0.819 192 L CB 1.933 43.918 42.059 -0.122 0.000 1.311 192 L HN 0.404 nan 8.230 nan 0.000 0.423 193 F N 0.430 120.350 119.950 -0.049 0.000 2.495 193 F HA 0.856 5.382 4.527 -0.001 0.000 0.327 193 F C 0.708 176.475 175.800 -0.054 0.000 1.103 193 F CA -0.543 57.429 58.000 -0.047 0.000 0.949 193 F CB 2.215 41.188 39.000 -0.044 0.000 1.142 193 F HN 0.486 nan 8.300 nan 0.000 0.457 194 G N 0.146 109.005 108.800 0.098 0.000 2.663 194 G HA2 0.529 4.488 3.960 -0.001 0.000 0.299 194 G HA3 0.529 4.488 3.960 -0.001 0.000 0.299 194 G C -0.137 174.769 174.900 0.009 0.000 1.372 194 G CA -0.192 44.924 45.100 0.027 0.000 0.781 194 G HN 0.769 nan 8.290 nan 0.000 0.491 195 A N -0.619 122.186 122.820 -0.025 0.000 1.854 195 A HA 0.379 4.698 4.320 -0.001 0.000 0.214 195 A C 1.378 178.923 177.584 -0.066 0.000 1.192 195 A CA 1.084 53.101 52.037 -0.033 0.000 0.611 195 A CB -0.130 18.843 19.000 -0.044 0.000 0.832 195 A HN 0.577 nan 8.150 nan 0.000 0.442 196 R N -3.710 116.717 120.500 -0.123 0.000 2.855 196 R HA 0.583 4.923 4.340 -0.001 0.000 0.266 196 R C 1.023 177.182 176.300 -0.235 0.000 1.034 196 R CA -0.134 55.854 56.100 -0.187 0.000 0.944 196 R CB 1.254 31.394 30.300 -0.266 0.000 1.219 196 R HN 0.168 nan 8.270 nan 0.000 0.474 197 A N 0.814 123.474 122.820 -0.267 0.000 1.917 197 A HA -0.261 4.059 4.320 -0.001 0.000 0.219 197 A C 1.915 179.312 177.584 -0.311 0.000 1.182 197 A CA 2.223 54.126 52.037 -0.223 0.000 0.633 197 A CB -0.612 18.318 19.000 -0.116 0.000 0.819 197 A HN 0.900 nan 8.150 nan 0.000 0.448 198 E N -0.172 119.633 120.200 -0.657 0.000 2.118 198 E HA -0.266 4.084 4.350 -0.001 0.000 0.195 198 E C 1.230 177.643 176.600 -0.311 0.000 0.992 198 E CA 1.501 57.498 56.400 -0.671 0.000 0.804 198 E CB -0.240 28.766 29.700 -1.156 0.000 0.741 198 E HN 0.616 nan 8.360 nan 0.000 0.458 199 D N 0.618 120.856 120.400 -0.271 0.000 2.144 199 D HA -0.164 4.475 4.640 -0.001 0.000 0.199 199 D C 2.194 178.415 176.300 -0.131 0.000 0.984 199 D CA 0.929 54.832 54.000 -0.162 0.000 0.834 199 D CB -0.158 40.563 40.800 -0.132 0.000 0.955 199 D HN 0.331 nan 8.370 nan 0.000 0.465 200 L N 0.845 121.983 121.223 -0.141 0.000 2.056 200 L HA -0.119 4.221 4.340 -0.001 0.000 0.207 200 L C 2.687 179.467 176.870 -0.149 0.000 1.078 200 L CA 0.997 55.756 54.840 -0.135 0.000 0.749 200 L CB -0.477 41.506 42.059 -0.127 0.000 0.901 200 L HN -0.038 nan 8.230 nan 0.000 0.433 201 A N -0.065 122.700 122.820 -0.092 0.000 1.877 201 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 201 A C 2.413 179.965 177.584 -0.053 0.000 1.186 201 A CA 1.304 53.331 52.037 -0.017 0.000 0.620 201 A CB -0.431 18.640 19.000 0.117 0.000 0.822 201 A HN 0.231 nan 8.150 nan 0.000 0.443 202 R N -0.637 119.835 120.500 -0.047 0.000 2.096 202 R HA -0.118 4.222 4.340 -0.001 0.000 0.235 202 R C 2.342 178.599 176.300 -0.072 0.000 1.127 202 R CA 1.300 57.380 56.100 -0.034 0.000 0.968 202 R CB -1.186 29.094 30.300 -0.034 0.000 0.861 202 R HN 0.561 nan 8.270 nan 0.000 0.440 203 G N 0.897 109.630 108.800 -0.111 0.000 2.404 203 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.215 203 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.215 203 G C 1.616 176.406 174.900 -0.183 0.000 1.174 203 G CA 0.206 45.233 45.100 -0.121 0.000 0.780 203 G HN 0.185 nan 8.290 nan 0.000 0.537 204 L N -0.197 120.828 121.223 -0.329 0.000 2.083 204 L HA -0.028 4.311 4.340 -0.001 0.000 0.209 204 L C 2.693 179.320 176.870 -0.405 0.000 1.083 204 L CA 0.436 54.943 54.840 -0.556 0.000 0.752 204 L CB -0.381 40.924 42.059 -1.255 0.000 0.899 204 L HN 0.238 nan 8.230 nan 0.000 0.433 205 L N 0.341 121.431 121.223 -0.222 0.000 2.012 205 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 205 L C 2.599 179.475 176.870 0.010 0.000 1.073 205 L CA 2.155 57.012 54.840 0.028 0.000 0.748 205 L CB -0.738 41.380 42.059 0.097 0.000 0.891 205 L HN 0.136 nan 8.230 nan 0.000 0.431 206 A N -0.944 121.860 122.820 -0.027 0.000 1.969 206 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 206 A C 2.250 179.821 177.584 -0.021 0.000 1.169 206 A CA 1.948 53.976 52.037 -0.015 0.000 0.635 206 A CB -0.498 18.490 19.000 -0.021 0.000 0.810 206 A HN 0.558 nan 8.150 nan 0.000 0.445 207 M N -0.558 119.012 119.600 -0.051 0.000 2.123 207 M HA -0.094 4.385 4.480 -0.001 0.000 0.263 207 M C 2.399 178.686 176.300 -0.022 0.000 1.069 207 M CA 1.987 57.260 55.300 -0.045 0.000 1.133 207 M CB -0.365 32.188 32.600 -0.078 0.000 1.356 207 M HN 0.665 nan 8.290 nan 0.000 0.415 208 T N -3.695 110.849 114.554 -0.016 0.000 3.039 208 T HA 0.270 4.620 4.350 -0.001 0.000 0.250 208 T C 1.547 176.287 174.700 0.067 0.000 1.052 208 T CA 0.788 62.911 62.100 0.039 0.000 1.125 208 T CB 0.043 68.969 68.868 0.096 0.000 0.908 208 T HN 0.565 nan 8.240 nan 0.000 0.473 209 G N 2.219 111.066 108.800 0.077 0.000 2.148 209 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.254 209 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.254 209 G C 0.052 175.010 174.900 0.098 0.000 0.981 209 G CA -0.048 45.097 45.100 0.075 0.000 0.670 209 G HN 0.726 nan 8.290 nan 0.000 0.528 210 R N 0.739 121.339 120.500 0.166 0.000 2.267 210 R HA 0.432 4.771 4.340 -0.001 0.000 0.319 210 R C 1.928 178.283 176.300 0.091 0.000 1.067 210 R CA 0.307 56.484 56.100 0.127 0.000 0.936 210 R CB 0.891 31.284 30.300 0.154 0.000 1.006 210 R HN 0.432 nan 8.270 nan 0.000 0.452 211 S N 2.471 118.184 115.700 0.021 0.000 2.440 211 S HA -0.250 4.219 4.470 -0.001 0.000 0.240 211 S C 1.480 176.047 174.600 -0.055 0.000 1.014 211 S CA 1.539 59.740 58.200 0.002 0.000 0.980 211 S CB -0.274 62.920 63.200 -0.010 0.000 0.775 211 S HN 0.794 nan 8.310 nan 0.000 0.499 212 E N 0.598 120.693 120.200 -0.175 0.000 2.209 212 E HA -0.156 4.194 4.350 -0.001 0.000 0.196 212 E C 1.111 177.481 176.600 -0.384 0.000 0.993 212 E CA 1.032 57.232 56.400 -0.334 0.000 0.819 212 E CB -0.664 28.718 29.700 -0.531 0.000 0.745 212 E HN 0.741 nan 8.360 nan 0.000 0.477 213 F N 1.276 121.233 119.950 0.013 0.000 2.765 213 F HA 0.182 4.708 4.527 -0.001 0.000 0.302 213 F C 1.186 177.007 175.800 0.036 0.000 1.111 213 F CA -0.324 57.690 58.000 0.023 0.000 1.359 213 F CB 0.820 39.827 39.000 0.010 0.000 1.097 213 F HN -0.130 nan 8.300 nan 0.000 0.577 214 S N -0.247 115.538 115.700 0.142 0.000 2.525 214 S HA 0.481 4.950 4.470 -0.001 0.000 0.278 214 S C 0.909 175.558 174.600 0.082 0.000 1.234 214 S CA 0.221 58.487 58.200 0.109 0.000 1.058 214 S CB 0.873 64.118 63.200 0.075 0.000 0.983 214 S HN 0.629 nan 8.310 nan 0.000 0.495 215 G N 4.001 112.857 108.800 0.093 0.000 2.153 215 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.252 215 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.252 215 G C 0.175 175.129 174.900 0.091 0.000 0.994 215 G CA 0.196 45.342 45.100 0.077 0.000 0.698 215 G HN 0.749 nan 8.290 nan 0.000 0.521 216 I N 0.311 120.970 120.570 0.149 0.000 2.710 216 I HA 0.293 4.463 4.170 -0.001 0.000 0.286 216 I C 0.745 176.981 176.117 0.198 0.000 1.181 216 I CA 0.268 61.678 61.300 0.184 0.000 1.430 216 I CB 0.896 39.057 38.000 0.269 0.000 1.367 216 I HN -0.050 nan 8.210 nan 0.000 0.577 217 V N 7.222 127.140 119.914 0.006 0.000 3.078 217 V HA 0.375 4.494 4.120 -0.001 0.000 0.311 217 V C -2.314 173.499 176.094 -0.469 0.000 1.138 217 V CA -1.776 60.306 62.300 -0.363 0.000 1.007 217 V CB 2.183 33.858 31.823 -0.246 0.000 1.045 217 V HN 0.578 nan 8.190 nan 0.000 0.432 218 P HA 0.172 nan 4.420 nan 0.000 0.265 218 P C -0.612 176.578 177.300 -0.184 0.000 1.187 218 P CA 0.314 63.077 63.100 -0.562 0.000 0.766 218 P CB 0.350 31.622 31.700 -0.715 0.000 0.820 219 A N 3.435 126.239 122.820 -0.026 0.000 2.332 219 A HA 0.387 4.706 4.320 -0.001 0.000 0.258 219 A C 0.019 177.531 177.584 -0.120 0.000 1.087 219 A CA -0.037 51.962 52.037 -0.064 0.000 0.802 219 A CB 0.199 19.145 19.000 -0.091 0.000 1.042 219 A HN 0.329 nan 8.150 nan 0.000 0.489 220 K N 0.802 121.105 120.400 -0.162 0.000 2.323 220 K HA 0.558 4.878 4.320 -0.001 0.000 0.259 220 K C 0.084 176.530 176.600 -0.257 0.000 0.947 220 K CA 0.120 56.313 56.287 -0.157 0.000 0.819 220 K CB 1.310 33.766 32.500 -0.075 0.000 1.109 220 K HN 1.606 nan 8.250 nan 0.000 0.429 221 A N 3.135 125.769 122.820 -0.311 0.000 2.261 221 A HA -0.158 4.162 4.320 -0.001 0.000 0.282 221 A C -2.142 175.265 177.584 -0.295 0.000 1.403 221 A CA -0.197 51.680 52.037 -0.267 0.000 0.753 221 A CB -1.865 17.074 19.000 -0.103 0.000 1.125 221 A HN 0.407 nan 8.150 nan 0.000 0.358 222 P HA 0.298 nan 4.420 nan 0.000 0.272 222 P C 0.123 177.335 177.300 -0.147 0.000 1.223 222 P CA -0.203 62.733 63.100 -0.273 0.000 0.784 222 P CB 0.500 31.983 31.700 -0.361 0.000 0.923 223 R N 2.322 122.791 120.500 -0.052 0.000 2.296 223 R HA 0.363 4.703 4.340 -0.001 0.000 0.327 223 R C -0.161 176.137 176.300 -0.003 0.000 1.137 223 R CA -0.285 55.802 56.100 -0.022 0.000 1.020 223 R CB -0.260 30.039 30.300 -0.002 0.000 1.110 223 R HN 0.479 nan 8.270 nan 0.000 0.499 224 I N 1.109 121.669 120.570 -0.017 0.000 2.385 224 I HA 0.288 4.457 4.170 -0.001 0.000 0.294 224 I C 0.878 176.980 176.117 -0.025 0.000 0.988 224 I CA -0.428 60.865 61.300 -0.013 0.000 1.265 224 I CB 1.881 39.879 38.000 -0.004 0.000 1.388 224 I HN 0.554 nan 8.210 nan 0.000 0.480 225 G N 5.653 114.427 108.800 -0.043 0.000 2.533 225 G HA2 0.519 4.478 3.960 -0.001 0.000 0.310 225 G HA3 0.519 4.478 3.960 -0.001 0.000 0.310 225 G C -0.711 174.147 174.900 -0.069 0.000 1.266 225 G CA -0.326 44.738 45.100 -0.060 0.000 0.967 225 G HN 0.343 nan 8.290 nan 0.000 0.493 226 V N 3.074 122.951 119.914 -0.062 0.000 2.488 226 V HA 0.403 4.522 4.120 -0.001 0.000 0.277 226 V C 0.483 176.537 176.094 -0.066 0.000 1.046 226 V CA -0.361 61.889 62.300 -0.083 0.000 0.986 226 V CB 0.993 32.764 31.823 -0.088 0.000 0.989 226 V HN 0.729 nan 8.190 nan 0.000 0.475 227 V N 3.379 123.250 119.914 -0.072 0.000 2.531 227 V HA 0.592 4.712 4.120 -0.001 0.000 0.301 227 V C 0.368 176.425 176.094 -0.061 0.000 1.034 227 V CA -0.795 61.501 62.300 -0.008 0.000 0.865 227 V CB 1.660 33.553 31.823 0.117 0.000 0.995 227 V HN 0.732 nan 8.190 nan 0.000 0.424 228 R N 1.522 121.991 120.500 -0.052 0.000 2.359 228 R HA 0.265 4.605 4.340 -0.001 0.000 0.231 228 R C 0.016 176.324 176.300 0.014 0.000 0.913 228 R CA -0.032 56.059 56.100 -0.014 0.000 1.075 228 R CB 0.127 30.457 30.300 0.050 0.000 1.087 228 R HN 0.951 nan 8.270 nan 0.000 0.515 229 Q N 0.567 120.258 119.800 -0.180 0.000 2.447 229 Q HA -0.225 4.115 4.340 -0.001 0.000 0.348 229 Q C -0.118 175.219 176.000 -1.104 0.000 1.421 229 Q CA 0.408 55.679 55.803 -0.886 0.000 0.978 229 Q CB -0.790 27.592 28.738 -0.594 0.000 1.191 229 Q HN 0.298 nan 8.270 nan 0.000 0.371 230 E N -0.035 119.739 120.200 -0.710 0.000 2.160 230 E HA -0.201 4.148 4.350 -0.001 0.000 0.195 230 E C 1.244 177.501 176.600 -0.573 0.000 0.991 230 E CA 1.953 58.087 56.400 -0.443 0.000 0.810 230 E CB -0.338 29.253 29.700 -0.182 0.000 0.742 230 E HN 0.786 nan 8.360 nan 0.000 0.466 231 F N -0.647 118.973 119.950 -0.550 0.000 2.307 231 F HA -0.025 4.502 4.527 0.000 0.000 0.301 231 F C 1.883 177.077 175.800 -1.009 0.000 1.076 231 F CA 0.762 58.335 58.000 -0.710 0.000 1.383 231 F CB -0.630 37.828 39.000 -0.903 0.000 1.055 231 F HN -0.010 nan 8.300 nan 0.000 0.526 232 A N 0.337 122.416 122.820 -1.236 0.000 2.275 232 A HA 0.565 4.885 4.320 -0.001 0.000 0.212 232 A C 1.359 178.695 177.584 -0.413 0.000 1.201 232 A CA 0.424 51.904 52.037 -0.928 0.000 0.843 232 A CB -1.182 17.198 19.000 -1.034 0.000 0.873 232 A HN 0.975 nan 8.150 nan 0.000 0.492 233 G N -1.495 107.130 108.800 -0.292 0.000 2.756 233 G HA2 0.353 4.313 3.960 -0.001 0.000 0.678 233 G HA3 0.353 4.313 3.960 -0.001 0.000 0.678 233 G C 0.066 174.952 174.900 -0.024 0.000 1.349 233 G CA -0.406 44.629 45.100 -0.109 0.000 0.847 233 G HN 1.617 nan 8.290 nan 0.000 0.548 234 A N -0.615 122.197 122.820 -0.014 0.000 2.388 234 A HA 0.716 5.036 4.320 -0.001 0.000 0.257 234 A C 0.903 178.463 177.584 -0.040 0.000 1.095 234 A CA 0.573 52.590 52.037 -0.034 0.000 0.791 234 A CB 1.255 20.233 19.000 -0.037 0.000 1.029 234 A HN 2.190 nan 8.150 nan 0.000 0.489 235 V N 1.605 121.377 119.914 -0.237 0.000 3.170 235 V HA 0.214 4.333 4.120 -0.001 0.000 0.309 235 V C 0.631 176.588 176.094 -0.229 0.000 1.071 235 V CA -0.499 61.567 62.300 -0.389 0.000 1.063 235 V CB 1.301 32.441 31.823 -1.140 0.000 1.123 235 V HN 1.047 nan 8.190 nan 0.000 0.464 236 E N 3.755 123.848 120.200 -0.179 0.000 2.390 236 E HA 0.152 4.502 4.350 -0.001 0.000 0.261 236 E C -1.753 174.786 176.600 -0.101 0.000 1.076 236 E CA -1.053 55.289 56.400 -0.096 0.000 0.905 236 E CB 0.816 30.486 29.700 -0.050 0.000 0.984 236 E HN 0.499 nan 8.360 nan 0.000 0.427 237 P HA -0.323 nan 4.420 nan 0.000 0.217 237 P C 0.898 178.178 177.300 -0.032 0.000 1.158 237 P CA 2.066 65.142 63.100 -0.039 0.000 0.887 237 P CB 0.111 31.796 31.700 -0.026 0.000 0.792 238 A N -0.344 122.456 122.820 -0.033 0.000 1.917 238 A HA -0.207 4.113 4.320 -0.001 0.000 0.219 238 A C 2.341 179.917 177.584 -0.014 0.000 1.182 238 A CA 2.451 54.472 52.037 -0.025 0.000 0.633 238 A CB -1.662 17.320 19.000 -0.030 0.000 0.819 238 A HN 0.223 nan 8.150 nan 0.000 0.448 239 A N -0.383 122.415 122.820 -0.037 0.000 1.877 239 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 239 A C 1.995 179.643 177.584 0.106 0.000 1.186 239 A CA 2.210 54.238 52.037 -0.015 0.000 0.620 239 A CB -0.504 18.368 19.000 -0.213 0.000 0.822 239 A HN 0.565 nan 8.150 nan 0.000 0.443 240 E N 0.165 120.404 120.200 0.065 0.000 2.077 240 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 240 E C 2.074 178.721 176.600 0.079 0.000 0.989 240 E CA 1.822 58.319 56.400 0.161 0.000 0.800 240 E CB -0.420 29.325 29.700 0.075 0.000 0.746 240 E HN 0.709 nan 8.360 nan 0.000 0.452 241 Q N -0.650 119.170 119.800 0.034 0.000 2.135 241 Q HA -0.102 4.237 4.340 -0.001 0.000 0.204 241 Q C 2.175 178.181 176.000 0.009 0.000 0.981 241 Q CA 1.457 57.268 55.803 0.012 0.000 0.856 241 Q CB -0.371 28.366 28.738 -0.002 0.000 0.902 241 Q HN 0.461 nan 8.270 nan 0.000 0.425 242 G N 0.587 109.399 108.800 0.019 0.000 2.403 242 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 242 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 242 G C 1.339 176.237 174.900 -0.003 0.000 1.154 242 G CA 0.389 45.494 45.100 0.008 0.000 0.784 242 G HN 0.231 nan 8.290 nan 0.000 0.538 243 L N 0.447 121.674 121.223 0.006 0.000 2.056 243 L HA 0.015 4.354 4.340 -0.001 0.000 0.207 243 L C 2.803 179.639 176.870 -0.056 0.000 1.078 243 L CA 1.907 56.707 54.840 -0.066 0.000 0.749 243 L CB -0.691 41.269 42.059 -0.164 0.000 0.901 243 L HN 0.280 nan 8.230 nan 0.000 0.433 244 Q N -0.841 118.943 119.800 -0.026 0.000 2.124 244 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 244 Q C 2.215 178.201 176.000 -0.023 0.000 0.977 244 Q CA 1.628 57.417 55.803 -0.023 0.000 0.850 244 Q CB -0.300 28.432 28.738 -0.009 0.000 0.901 244 Q HN 0.704 nan 8.270 nan 0.000 0.429 245 A N 0.714 123.521 122.820 -0.022 0.000 1.930 245 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 245 A C 2.222 179.788 177.584 -0.031 0.000 1.175 245 A CA 1.451 53.473 52.037 -0.024 0.000 0.627 245 A CB -0.615 18.371 19.000 -0.023 0.000 0.815 245 A HN 0.401 nan 8.150 nan 0.000 0.443 246 A N 0.036 122.835 122.820 -0.035 0.000 1.898 246 A HA -0.032 4.288 4.320 -0.001 0.000 0.216 246 A C 2.107 179.674 177.584 -0.027 0.000 1.181 246 A CA 1.400 53.414 52.037 -0.039 0.000 0.620 246 A CB -0.572 18.402 19.000 -0.044 0.000 0.819 246 A HN 0.473 nan 8.150 nan 0.000 0.442 247 I N -0.457 120.096 120.570 -0.029 0.000 2.179 247 I HA -0.284 3.886 4.170 -0.001 0.000 0.242 247 I C 2.583 178.699 176.117 -0.003 0.000 1.088 247 I CA 1.931 63.222 61.300 -0.015 0.000 1.357 247 I CB -0.267 37.716 38.000 -0.029 0.000 1.051 247 I HN 0.392 nan 8.210 nan 0.000 0.409 248 K N 1.274 121.667 120.400 -0.012 0.000 2.026 248 K HA -0.205 4.115 4.320 -0.001 0.000 0.208 248 K C 2.217 178.811 176.600 -0.011 0.000 1.048 248 K CA 1.608 57.890 56.287 -0.009 0.000 0.929 248 K CB -0.130 32.362 32.500 -0.014 0.000 0.713 248 K HN 0.290 nan 8.250 nan 0.000 0.439 249 A N 1.014 123.817 122.820 -0.027 0.000 1.902 249 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 249 A C 2.323 179.874 177.584 -0.055 0.000 1.181 249 A CA 1.915 53.920 52.037 -0.052 0.000 0.623 249 A CB -0.812 18.140 19.000 -0.080 0.000 0.818 249 A HN 0.500 nan 8.150 nan 0.000 0.443 250 A N -0.255 122.557 122.820 -0.014 0.000 1.902 250 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 250 A C 1.936 179.620 177.584 0.168 0.000 1.181 250 A CA 1.661 53.762 52.037 0.107 0.000 0.623 250 A CB -0.544 18.577 19.000 0.202 0.000 0.818 250 A HN 0.637 nan 8.150 nan 0.000 0.443 251 E N -0.883 119.369 120.200 0.086 0.000 2.051 251 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 251 E C 2.207 178.844 176.600 0.061 0.000 0.991 251 E CA 1.168 57.609 56.400 0.069 0.000 0.799 251 E CB -0.156 29.564 29.700 0.034 0.000 0.748 251 E HN 0.552 nan 8.360 nan 0.000 0.449 252 R N 0.176 120.697 120.500 0.035 0.000 2.328 252 R HA -0.014 4.326 4.340 -0.001 0.000 0.207 252 R C 1.371 177.691 176.300 0.033 0.000 1.056 252 R CA 0.714 56.828 56.100 0.022 0.000 1.016 252 R CB 0.118 30.418 30.300 0.001 0.000 0.872 252 R HN 0.067 nan 8.270 nan 0.000 0.471 253 A N -0.956 121.904 122.820 0.068 0.000 2.348 253 A HA 0.317 4.636 4.320 -0.001 0.000 0.224 253 A C 1.150 178.868 177.584 0.222 0.000 1.227 253 A CA 0.429 52.530 52.037 0.107 0.000 0.885 253 A CB 0.392 19.380 19.000 -0.019 0.000 0.933 253 A HN 0.410 nan 8.150 nan 0.000 0.506 254 G N -1.835 107.062 108.800 0.161 0.000 2.159 254 G HA2 0.150 4.110 3.960 -0.001 0.000 0.227 254 G HA3 0.150 4.110 3.960 -0.001 0.000 0.227 254 G C 0.372 175.320 174.900 0.079 0.000 0.986 254 G CA 0.113 45.279 45.100 0.109 0.000 0.651 254 G HN 1.508 nan 8.290 nan 0.000 0.523 255 A N 0.370 123.276 122.820 0.143 0.000 2.316 255 A HA 0.770 5.089 4.320 -0.001 0.000 0.284 255 A C 0.839 178.438 177.584 0.025 0.000 1.115 255 A CA 0.721 52.779 52.037 0.035 0.000 0.812 255 A CB 0.661 19.729 19.000 0.115 0.000 1.064 255 A HN 1.812 nan 8.150 nan 0.000 0.489 256 S N 1.353 117.044 115.700 -0.015 0.000 2.404 256 S HA 0.521 4.991 4.470 -0.001 0.000 0.309 256 S C -0.451 174.146 174.600 -0.005 0.000 1.076 256 S CA -0.585 57.610 58.200 -0.007 0.000 1.095 256 S CB 0.356 63.545 63.200 -0.017 0.000 0.972 256 S HN 0.626 nan 8.310 nan 0.000 0.484 257 V N 4.799 124.715 119.914 0.004 0.000 2.435 257 V HA 0.611 4.731 4.120 -0.001 0.000 0.290 257 V C -0.153 175.935 176.094 -0.010 0.000 1.030 257 V CA -0.634 61.665 62.300 -0.002 0.000 0.881 257 V CB 1.073 32.899 31.823 0.005 0.000 0.983 257 V HN 1.007 nan 8.190 nan 0.000 0.445 258 Q N 3.561 123.350 119.800 -0.017 0.000 2.315 258 Q HA 0.830 5.169 4.340 -0.001 0.000 0.273 258 Q C -0.847 175.138 176.000 -0.024 0.000 1.053 258 Q CA -0.850 54.942 55.803 -0.018 0.000 0.817 258 Q CB 2.270 30.999 28.738 -0.015 0.000 1.326 258 Q HN 0.797 nan 8.270 nan 0.000 0.423 259 A N 3.745 126.553 122.820 -0.020 0.000 2.440 259 A HA 0.599 4.919 4.320 -0.001 0.000 0.251 259 A C -0.438 177.138 177.584 -0.012 0.000 1.089 259 A CA -0.150 51.875 52.037 -0.020 0.000 0.779 259 A CB 0.119 19.110 19.000 -0.015 0.000 1.022 259 A HN 0.712 nan 8.150 nan 0.000 0.492 260 I N 1.354 121.920 120.570 -0.007 0.000 2.769 260 I HA 0.269 4.438 4.170 -0.001 0.000 0.298 260 I C -1.011 175.130 176.117 0.039 0.000 1.128 260 I CA -0.806 60.497 61.300 0.005 0.000 1.031 260 I CB 2.408 40.399 38.000 -0.015 0.000 1.235 260 I HN 0.566 nan 8.210 nan 0.000 0.423 261 D N 5.482 125.913 120.400 0.053 0.000 2.177 261 D HA 0.468 5.107 4.640 -0.001 0.000 0.247 261 D C -0.499 175.879 176.300 0.131 0.000 1.063 261 D CA -0.265 53.797 54.000 0.103 0.000 0.867 261 D CB 2.277 43.124 40.800 0.078 0.000 1.168 261 D HN 0.226 nan 8.370 nan 0.000 0.445 262 L N 3.285 124.667 121.223 0.265 0.000 2.326 262 L HA 0.282 4.622 4.340 -0.001 0.000 0.278 262 L C -2.071 174.850 176.870 0.085 0.000 1.092 262 L CA -1.707 53.290 54.840 0.263 0.000 0.810 262 L CB 0.878 43.197 42.059 0.434 0.000 1.153 262 L HN 0.041 nan 8.230 nan 0.000 0.439 263 P HA -0.067 nan 4.420 nan 0.000 0.265 263 P C 0.384 177.508 177.300 -0.294 0.000 1.187 263 P CA 0.003 63.029 63.100 -0.123 0.000 0.766 263 P CB 0.660 32.330 31.700 -0.051 0.000 0.820 264 E N 3.779 123.765 120.200 -0.356 0.000 2.147 264 E HA -0.276 4.074 4.350 -0.001 0.000 0.199 264 E C 1.827 178.309 176.600 -0.197 0.000 1.005 264 E CA 2.278 58.448 56.400 -0.383 0.000 0.810 264 E CB -0.934 28.640 29.700 -0.210 0.000 0.736 264 E HN 0.449 nan 8.360 nan 0.000 0.460 265 A N -0.087 122.657 122.820 -0.126 0.000 1.908 265 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 265 A C 2.535 180.074 177.584 -0.075 0.000 1.181 265 A CA 1.852 53.842 52.037 -0.079 0.000 0.627 265 A CB -0.784 18.182 19.000 -0.057 0.000 0.818 265 A HN 0.214 nan 8.150 nan 0.000 0.445 266 V N -0.378 119.494 119.914 -0.071 0.000 2.427 266 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 266 V C 2.252 178.235 176.094 -0.186 0.000 1.051 266 V CA 2.066 64.314 62.300 -0.087 0.000 1.048 266 V CB -1.213 30.598 31.823 -0.020 0.000 0.666 266 V HN 0.718 nan 8.190 nan 0.000 0.456 267 H N -0.348 118.490 119.070 -0.387 0.000 2.352 267 H HA -0.140 4.416 4.556 -0.001 0.000 0.299 267 H C 2.443 177.602 175.328 -0.282 0.000 1.097 267 H CA 1.339 57.037 56.048 -0.584 0.000 1.311 267 H CB 0.189 29.786 29.762 -0.275 0.000 1.377 267 H HN 0.389 nan 8.280 nan 0.000 0.504 268 E N 0.823 121.017 120.200 -0.010 0.000 2.106 268 E HA -0.101 4.249 4.350 -0.001 0.000 0.192 268 E C 2.472 179.053 176.600 -0.031 0.000 0.984 268 E CA 0.741 57.141 56.400 0.000 0.000 0.806 268 E CB -0.223 29.465 29.700 -0.021 0.000 0.750 268 E HN 0.440 nan 8.360 nan 0.000 0.458 269 A N 0.633 123.410 122.820 -0.072 0.000 1.908 269 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 269 A C 2.053 179.594 177.584 -0.072 0.000 1.181 269 A CA 1.546 53.531 52.037 -0.087 0.000 0.627 269 A CB -1.144 17.792 19.000 -0.107 0.000 0.818 269 A HN 0.465 nan 8.150 nan 0.000 0.445 270 W N 0.620 121.732 121.300 -0.313 0.000 2.358 270 W HA -0.207 4.452 4.660 -0.001 0.000 0.303 270 W C 2.395 178.831 176.519 -0.138 0.000 1.208 270 W CA 2.103 59.272 57.345 -0.293 0.000 1.274 270 W CB -0.196 28.930 29.460 -0.558 0.000 1.138 270 W HN 0.317 nan 8.180 nan 0.000 0.515 271 R N 0.729 121.242 120.500 0.021 0.000 2.091 271 R HA -0.200 4.139 4.340 -0.001 0.000 0.238 271 R C 1.944 178.116 176.300 -0.214 0.000 1.136 271 R CA 2.487 58.514 56.100 -0.122 0.000 0.959 271 R CB -0.790 29.570 30.300 0.100 0.000 0.856 271 R HN 0.404 nan 8.270 nan 0.000 0.437 272 I N -1.374 119.115 120.570 -0.135 0.000 3.684 272 I HA -0.014 4.156 4.170 -0.001 0.000 0.304 272 I C 1.991 178.030 176.117 -0.130 0.000 1.278 272 I CA 0.690 61.918 61.300 -0.121 0.000 1.272 272 I CB -0.724 37.215 38.000 -0.101 0.000 1.029 272 I HN 0.156 nan 8.210 nan 0.000 0.458 273 H N 2.951 121.861 119.070 -0.267 0.000 2.353 273 H HA -0.085 4.471 4.556 -0.001 0.000 0.298 273 H C -0.695 174.522 175.328 -0.186 0.000 1.103 273 H CA 2.475 58.377 56.048 -0.242 0.000 1.293 273 H CB -1.156 28.410 29.762 -0.328 0.000 1.372 273 H HN 0.231 nan 8.280 nan 0.000 0.501 274 P HA -0.132 nan 4.420 nan 0.000 0.218 274 P C 1.919 179.190 177.300 -0.048 0.000 1.149 274 P CA 0.982 64.067 63.100 -0.026 0.000 0.817 274 P CB -0.002 31.657 31.700 -0.068 0.000 0.785 275 I N -1.036 119.500 120.570 -0.057 0.000 2.179 275 I HA -0.192 3.978 4.170 -0.001 0.000 0.242 275 I C 2.317 178.464 176.117 0.051 0.000 1.088 275 I CA 1.574 62.874 61.300 -0.000 0.000 1.357 275 I CB -1.297 36.693 38.000 -0.018 0.000 1.051 275 I HN -0.022 nan 8.210 nan 0.000 0.409 276 I N 0.312 120.867 120.570 -0.025 0.000 2.179 276 I HA -0.328 3.841 4.170 -0.001 0.000 0.242 276 I C 2.745 178.818 176.117 -0.073 0.000 1.088 276 I CA 1.325 62.639 61.300 0.024 0.000 1.357 276 I CB -0.477 37.440 38.000 -0.139 0.000 1.051 276 I HN 0.335 nan 8.210 nan 0.000 0.409 277 Q N 0.960 120.642 119.800 -0.195 0.000 2.061 277 Q HA -0.258 4.081 4.340 -0.001 0.000 0.204 277 Q C 1.679 177.673 176.000 -0.010 0.000 0.984 277 Q CA 2.116 57.849 55.803 -0.116 0.000 0.846 277 Q CB 0.037 28.705 28.738 -0.117 0.000 0.902 277 Q HN 0.463 nan 8.270 nan 0.000 0.421 278 D N -0.290 120.111 120.400 0.001 0.000 2.149 278 D HA -0.118 4.521 4.640 -0.001 0.000 0.201 278 D C 1.579 177.850 176.300 -0.049 0.000 0.972 278 D CA 0.661 54.652 54.000 -0.015 0.000 0.835 278 D CB -0.394 40.424 40.800 0.030 0.000 0.966 278 D HN 0.243 nan 8.370 nan 0.000 0.476 279 F N 2.172 122.030 119.950 -0.154 0.000 2.075 279 F HA -0.154 4.373 4.527 0.000 0.000 0.297 279 F C 2.142 177.733 175.800 -0.349 0.000 1.113 279 F CA 1.536 59.392 58.000 -0.241 0.000 1.218 279 F CB -0.035 38.740 39.000 -0.374 0.000 0.984 279 F HN -0.113 nan 8.300 nan 0.000 0.472 280 E N 0.242 120.209 120.200 -0.389 0.000 2.153 280 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 280 E C 2.352 178.682 176.600 -0.451 0.000 0.988 280 E CA 0.843 56.872 56.400 -0.618 0.000 0.811 280 E CB -0.477 28.605 29.700 -1.031 0.000 0.746 280 E HN 0.509 nan 8.360 nan 0.000 0.466 281 A N 1.779 124.328 122.820 -0.453 0.000 1.948 281 A HA -0.241 4.079 4.320 -0.001 0.000 0.220 281 A C 1.887 179.119 177.584 -0.587 0.000 1.177 281 A CA 1.489 53.138 52.037 -0.647 0.000 0.636 281 A CB -0.737 17.761 19.000 -0.837 0.000 0.815 281 A HN 0.288 nan 8.150 nan 0.000 0.449 282 H N -0.676 118.099 119.070 -0.492 0.000 2.423 282 H HA -0.032 4.524 4.556 -0.001 0.000 0.297 282 H C 2.205 177.327 175.328 -0.343 0.000 1.075 282 H CA 1.521 57.278 56.048 -0.485 0.000 1.342 282 H CB 0.092 29.514 29.762 -0.567 0.000 1.395 282 H HN 0.363 nan 8.280 nan 0.000 0.530 283 R N 0.526 120.912 120.500 -0.191 0.000 2.062 283 R HA 0.097 4.437 4.340 -0.001 0.000 0.226 283 R C 2.414 178.737 176.300 0.039 0.000 1.125 283 R CA 0.931 57.008 56.100 -0.039 0.000 0.966 283 R CB -1.046 29.321 30.300 0.112 0.000 0.861 283 R HN 0.214 nan 8.270 nan 0.000 0.433 284 A N 1.061 123.927 122.820 0.076 0.000 2.019 284 A HA -0.022 4.298 4.320 -0.001 0.000 0.219 284 A C 1.740 179.313 177.584 -0.018 0.000 1.164 284 A CA 1.041 53.131 52.037 0.089 0.000 0.644 284 A CB -0.267 18.803 19.000 0.116 0.000 0.805 284 A HN 0.206 nan 8.150 nan 0.000 0.449 285 L N -1.255 119.891 121.223 -0.129 0.000 3.110 285 L HA 0.270 4.610 4.340 -0.001 0.000 0.266 285 L C 2.053 178.906 176.870 -0.029 0.000 1.257 285 L CA 0.202 54.956 54.840 -0.143 0.000 1.038 285 L CB 0.173 42.016 42.059 -0.359 0.000 1.395 285 L HN 0.336 nan 8.230 nan 0.000 0.566 286 A N 0.376 123.218 122.820 0.037 0.000 1.883 286 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 286 A C 1.912 179.599 177.584 0.172 0.000 1.186 286 A CA 1.648 53.747 52.037 0.103 0.000 0.624 286 A CB -0.643 18.405 19.000 0.081 0.000 0.822 286 A HN 0.703 nan 8.150 nan 0.000 0.444 287 W N 0.984 122.299 121.300 0.024 0.000 2.335 287 W HA -0.183 4.476 4.660 -0.001 0.000 0.311 287 W C 1.876 178.436 176.519 0.068 0.000 1.213 287 W CA 2.160 59.527 57.345 0.038 0.000 1.274 287 W CB -0.221 29.261 29.460 0.037 0.000 1.148 287 W HN 0.419 nan 8.180 nan 0.000 0.498 288 E N -0.546 119.725 120.200 0.119 0.000 2.051 288 E HA -0.224 4.126 4.350 -0.001 0.000 0.192 288 E C 1.975 178.504 176.600 -0.119 0.000 0.991 288 E CA 1.888 58.234 56.400 -0.090 0.000 0.799 288 E CB -1.055 28.584 29.700 -0.101 0.000 0.748 288 E HN 0.312 nan 8.360 nan 0.000 0.449 289 F N 0.682 120.529 119.950 -0.171 0.000 2.186 289 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 289 F C 2.088 177.853 175.800 -0.059 0.000 1.090 289 F CA 1.209 59.149 58.000 -0.100 0.000 1.307 289 F CB 0.017 38.983 39.000 -0.056 0.000 1.019 289 F HN -0.101 nan 8.300 nan 0.000 0.489 290 S N -0.510 115.157 115.700 -0.056 0.000 2.406 290 S HA -0.054 4.416 4.470 -0.001 0.000 0.224 290 S C 1.690 176.090 174.600 -0.333 0.000 1.030 290 S CA 0.977 59.081 58.200 -0.161 0.000 0.958 290 S CB -0.085 63.079 63.200 -0.060 0.000 0.811 290 S HN 0.390 nan 8.310 nan 0.000 0.489 291 E N 0.331 120.209 120.200 -0.537 0.000 2.389 291 E HA 0.109 4.458 4.350 -0.001 0.000 0.199 291 E C 0.087 176.009 176.600 -1.130 0.000 0.978 291 E CA 0.593 56.481 56.400 -0.853 0.000 0.912 291 E CB 0.143 29.112 29.700 -1.219 0.000 0.907 291 E HN 0.539 nan 8.360 nan 0.000 0.494 292 H N -0.255 118.542 119.070 -0.455 0.000 2.790 292 H HA 0.107 4.662 4.556 -0.001 0.000 0.232 292 H C 1.204 176.411 175.328 -0.202 0.000 1.313 292 H CA -0.212 55.650 56.048 -0.309 0.000 1.011 292 H CB 0.134 29.684 29.762 -0.354 0.000 2.105 292 H HN 0.196 nan 8.280 nan 0.000 0.580 293 H N 1.923 120.822 119.070 -0.284 0.000 2.265 293 H HA -0.142 4.414 4.556 -0.001 0.000 0.293 293 H C 0.512 175.741 175.328 -0.165 0.000 1.089 293 H CA 1.978 57.832 56.048 -0.323 0.000 1.244 293 H CB 0.374 29.829 29.762 -0.512 0.000 1.355 293 H HN 0.320 nan 8.280 nan 0.000 0.485 294 D N 0.354 120.796 120.400 0.070 0.000 2.350 294 D HA -0.074 4.565 4.640 -0.001 0.000 0.216 294 D C 1.841 178.146 176.300 0.009 0.000 0.968 294 D CA 0.569 54.602 54.000 0.056 0.000 0.894 294 D CB -0.203 40.639 40.800 0.071 0.000 0.909 294 D HN 0.631 nan 8.370 nan 0.000 0.520 295 E N -0.065 120.145 120.200 0.017 0.000 2.442 295 E HA 0.081 4.430 4.350 -0.001 0.000 0.195 295 E C 0.611 177.258 176.600 0.078 0.000 1.030 295 E CA -0.087 56.344 56.400 0.052 0.000 0.869 295 E CB 0.545 30.292 29.700 0.078 0.000 0.857 295 E HN 0.277 nan 8.360 nan 0.000 0.505 296 I N 1.990 122.584 120.570 0.039 0.000 2.588 296 I HA 0.018 4.187 4.170 -0.001 0.000 0.283 296 I C 0.586 176.752 176.117 0.082 0.000 1.119 296 I CA -0.650 60.708 61.300 0.097 0.000 1.419 296 I CB 0.668 38.655 38.000 -0.021 0.000 1.394 296 I HN 0.004 nan 8.210 nan 0.000 0.562 297 A N 8.384 131.293 122.820 0.149 0.000 2.587 297 A HA 0.066 4.386 4.320 -0.001 0.000 0.235 297 A C -1.389 176.235 177.584 0.067 0.000 1.044 297 A CA -0.712 51.386 52.037 0.102 0.000 0.754 297 A CB -0.427 18.645 19.000 0.120 0.000 0.968 297 A HN 0.609 nan 8.150 nan 0.000 0.509 298 P HA -0.289 nan 4.420 nan 0.000 0.219 298 P C 1.652 178.978 177.300 0.043 0.000 1.159 298 P CA 2.310 65.431 63.100 0.037 0.000 0.944 298 P CB -0.118 31.603 31.700 0.036 0.000 0.792 299 M N -2.336 117.295 119.600 0.052 0.000 2.086 299 M HA -0.159 4.320 4.480 -0.001 0.000 0.261 299 M C 2.163 178.502 176.300 0.065 0.000 1.067 299 M CA 1.617 56.951 55.300 0.056 0.000 1.116 299 M CB -1.039 31.595 32.600 0.057 0.000 1.348 299 M HN -0.047 nan 8.290 nan 0.000 0.407 300 L N 0.417 121.690 121.223 0.084 0.000 2.083 300 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 300 L C 2.468 179.367 176.870 0.048 0.000 1.083 300 L CA 1.832 56.728 54.840 0.094 0.000 0.752 300 L CB -0.714 41.439 42.059 0.157 0.000 0.899 300 L HN 0.188 nan 8.230 nan 0.000 0.433 301 R N -0.580 119.938 120.500 0.030 0.000 2.081 301 R HA -0.156 4.183 4.340 -0.001 0.000 0.235 301 R C 2.130 178.461 176.300 0.053 0.000 1.131 301 R CA 1.420 57.511 56.100 -0.013 0.000 0.960 301 R CB -0.353 29.889 30.300 -0.096 0.000 0.856 301 R HN 0.526 nan 8.270 nan 0.000 0.436 302 A N 0.470 123.323 122.820 0.056 0.000 1.898 302 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 302 A C 2.180 179.810 177.584 0.077 0.000 1.181 302 A CA 1.887 53.969 52.037 0.076 0.000 0.620 302 A CB -0.642 18.393 19.000 0.059 0.000 0.819 302 A HN 0.601 nan 8.150 nan 0.000 0.442 303 S N 0.068 115.802 115.700 0.057 0.000 2.382 303 S HA -0.096 4.373 4.470 -0.001 0.000 0.228 303 S C 1.907 176.523 174.600 0.026 0.000 1.027 303 S CA 1.433 59.660 58.200 0.045 0.000 0.991 303 S CB -0.719 62.509 63.200 0.046 0.000 0.823 303 S HN 0.434 nan 8.310 nan 0.000 0.469 304 L N 1.480 122.695 121.223 -0.012 0.000 2.027 304 L HA -0.099 4.241 4.340 -0.001 0.000 0.206 304 L C 2.498 179.431 176.870 0.105 0.000 1.074 304 L CA 1.662 56.420 54.840 -0.136 0.000 0.745 304 L CB -0.741 41.166 42.059 -0.252 0.000 0.898 304 L HN 0.238 nan 8.230 nan 0.000 0.433 305 D N 0.287 120.840 120.400 0.254 0.000 2.182 305 D HA -0.168 4.471 4.640 -0.001 0.000 0.201 305 D C 2.028 178.431 176.300 0.171 0.000 0.986 305 D CA 1.490 55.684 54.000 0.324 0.000 0.847 305 D CB 0.004 40.990 40.800 0.310 0.000 0.942 305 D HN 0.327 nan 8.370 nan 0.000 0.467 306 A N -0.038 122.854 122.820 0.120 0.000 2.208 306 A HA 0.022 4.341 4.320 -0.001 0.000 0.209 306 A C 1.746 179.367 177.584 0.061 0.000 1.161 306 A CA 1.390 53.473 52.037 0.077 0.000 0.782 306 A CB -0.177 18.860 19.000 0.062 0.000 0.816 306 A HN 0.294 nan 8.150 nan 0.000 0.477 307 T N -4.697 109.909 114.554 0.088 0.000 3.091 307 T HA 0.203 4.553 4.350 -0.001 0.000 0.277 307 T C 1.152 175.805 174.700 -0.078 0.000 0.996 307 T CA 0.612 62.754 62.100 0.071 0.000 0.897 307 T CB -0.020 68.921 68.868 0.121 0.000 1.109 307 T HN -0.052 nan 8.240 nan 0.000 0.534 308 V N 1.854 121.636 119.914 -0.220 0.000 2.469 308 V HA -0.046 4.073 4.120 -0.001 0.000 0.251 308 V C 2.796 178.680 176.094 -0.351 0.000 1.064 308 V CA 2.238 64.179 62.300 -0.598 0.000 1.066 308 V CB -1.096 30.555 31.823 -0.286 0.000 0.667 308 V HN 0.713 nan 8.190 nan 0.000 0.461 309 G N -0.647 108.062 108.800 -0.151 0.000 2.650 309 G HA2 0.033 3.993 3.960 -0.001 0.000 0.214 309 G HA3 0.033 3.993 3.960 -0.001 0.000 0.214 309 G C 0.648 175.538 174.900 -0.017 0.000 1.136 309 G CA -0.328 44.729 45.100 -0.071 0.000 0.789 309 G HN 0.457 nan 8.290 nan 0.000 0.536 310 L N 2.452 123.679 121.223 0.008 0.000 2.640 310 L HA 0.103 4.442 4.340 -0.001 0.000 0.280 310 L C 1.276 178.281 176.870 0.226 0.000 1.229 310 L CA -0.046 54.872 54.840 0.130 0.000 0.919 310 L CB 0.155 42.357 42.059 0.238 0.000 1.168 310 L HN 0.168 nan 8.230 nan 0.000 0.496 311 T N 0.228 114.860 114.554 0.130 0.000 2.918 311 T HA 0.327 4.676 4.350 -0.001 0.000 0.283 311 T C -1.900 172.770 174.700 -0.051 0.000 1.001 311 T CA -1.989 60.174 62.100 0.105 0.000 1.041 311 T CB 1.789 70.675 68.868 0.031 0.000 1.028 311 T HN 0.291 nan 8.240 nan 0.000 0.511 312 P HA -0.016 nan 4.420 nan 0.000 0.218 312 P C 1.509 178.723 177.300 -0.144 0.000 1.149 312 P CA 0.829 63.808 63.100 -0.201 0.000 0.817 312 P CB 0.124 31.863 31.700 0.065 0.000 0.785 313 K N 0.857 121.213 120.400 -0.073 0.000 2.009 313 K HA -0.211 4.108 4.320 -0.001 0.000 0.210 313 K C 2.069 178.612 176.600 -0.096 0.000 1.049 313 K CA 1.944 58.191 56.287 -0.067 0.000 0.929 313 K CB -0.296 32.182 32.500 -0.036 0.000 0.714 313 K HN 0.178 nan 8.250 nan 0.000 0.440 314 E N -0.656 119.491 120.200 -0.088 0.000 2.204 314 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 314 E C 2.010 178.536 176.600 -0.123 0.000 0.989 314 E CA 0.943 57.292 56.400 -0.086 0.000 0.824 314 E CB -0.545 29.126 29.700 -0.048 0.000 0.756 314 E HN 0.465 nan 8.360 nan 0.000 0.477 315 Y N 2.654 122.730 120.300 -0.374 0.000 2.163 315 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 315 Y C 1.620 177.331 175.900 -0.315 0.000 1.136 315 Y CA 1.980 59.786 58.100 -0.490 0.000 1.147 315 Y CB -0.242 37.523 38.460 -1.159 0.000 0.987 315 Y HN -0.079 nan 8.280 nan 0.000 0.509 316 D N 0.074 120.223 120.400 -0.418 0.000 2.117 316 D HA -0.176 4.464 4.640 -0.001 0.000 0.197 316 D C 2.028 178.153 176.300 -0.292 0.000 0.987 316 D CA 1.653 55.417 54.000 -0.394 0.000 0.829 316 D CB -0.294 40.387 40.800 -0.198 0.000 0.961 316 D HN 0.438 nan 8.370 nan 0.000 0.460 317 E N 0.973 121.047 120.200 -0.209 0.000 2.110 317 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 317 E C 1.875 178.374 176.600 -0.168 0.000 0.988 317 E CA 1.324 57.631 56.400 -0.153 0.000 0.804 317 E CB -0.321 29.314 29.700 -0.108 0.000 0.745 317 E HN 0.156 nan 8.360 nan 0.000 0.458 318 A N 0.824 123.524 122.820 -0.199 0.000 1.877 318 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 318 A C 2.240 179.691 177.584 -0.221 0.000 1.186 318 A CA 1.705 53.631 52.037 -0.185 0.000 0.620 318 A CB -0.492 18.409 19.000 -0.166 0.000 0.822 318 A HN 0.215 nan 8.150 nan 0.000 0.443 319 R N -1.069 119.235 120.500 -0.327 0.000 2.096 319 R HA -0.118 4.221 4.340 -0.001 0.000 0.235 319 R C 2.515 178.693 176.300 -0.203 0.000 1.127 319 R CA 1.458 57.377 56.100 -0.302 0.000 0.968 319 R CB -0.329 29.718 30.300 -0.422 0.000 0.861 319 R HN 0.567 nan 8.270 nan 0.000 0.440 320 R N 1.088 121.477 120.500 -0.185 0.000 2.105 320 R HA -0.115 4.224 4.340 -0.001 0.000 0.239 320 R C 2.140 178.375 176.300 -0.108 0.000 1.135 320 R CA 1.392 57.414 56.100 -0.129 0.000 0.967 320 R CB -0.194 30.038 30.300 -0.114 0.000 0.861 320 R HN 0.198 nan 8.270 nan 0.000 0.442 321 I N -0.126 120.376 120.570 -0.113 0.000 2.315 321 I HA -0.156 4.014 4.170 -0.001 0.000 0.248 321 I C 2.438 178.498 176.117 -0.095 0.000 1.117 321 I CA 1.294 62.538 61.300 -0.093 0.000 1.404 321 I CB -0.549 37.398 38.000 -0.090 0.000 1.071 321 I HN 0.384 nan 8.210 nan 0.000 0.419 322 G N 0.711 109.441 108.800 -0.116 0.000 2.433 322 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.216 322 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.216 322 G C 1.806 176.647 174.900 -0.099 0.000 1.186 322 G CA 0.409 45.440 45.100 -0.115 0.000 0.779 322 G HN 0.257 nan 8.290 nan 0.000 0.543 323 R N -0.231 120.209 120.500 -0.100 0.000 2.091 323 R HA -0.056 4.284 4.340 -0.001 0.000 0.238 323 R C 2.686 178.949 176.300 -0.061 0.000 1.136 323 R CA 1.394 57.445 56.100 -0.081 0.000 0.959 323 R CB -0.275 29.979 30.300 -0.077 0.000 0.856 323 R HN 0.262 nan 8.270 nan 0.000 0.437 324 R N 0.016 120.480 120.500 -0.060 0.000 2.105 324 R HA -0.116 4.223 4.340 -0.001 0.000 0.239 324 R C 2.256 178.533 176.300 -0.038 0.000 1.135 324 R CA 1.718 57.790 56.100 -0.046 0.000 0.967 324 R CB -0.502 29.768 30.300 -0.050 0.000 0.861 324 R HN 0.338 nan 8.270 nan 0.000 0.442 325 G N -0.085 108.687 108.800 -0.047 0.000 2.408 325 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.217 325 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.217 325 G C 1.316 176.213 174.900 -0.004 0.000 1.150 325 G CA 0.535 45.613 45.100 -0.037 0.000 0.776 325 G HN 0.297 nan 8.290 nan 0.000 0.542 326 R N -0.134 120.356 120.500 -0.016 0.000 2.081 326 R HA 0.028 4.367 4.340 -0.001 0.000 0.235 326 R C 2.795 179.114 176.300 0.031 0.000 1.131 326 R CA 1.079 57.183 56.100 0.006 0.000 0.960 326 R CB -0.244 30.025 30.300 -0.051 0.000 0.856 326 R HN 0.249 nan 8.270 nan 0.000 0.436 327 R N 0.647 121.153 120.500 0.009 0.000 2.070 327 R HA -0.126 4.214 4.340 -0.001 0.000 0.233 327 R C 2.102 178.430 176.300 0.046 0.000 1.137 327 R CA 1.510 57.623 56.100 0.022 0.000 0.945 327 R CB -0.132 30.170 30.300 0.003 0.000 0.845 327 R HN 0.350 nan 8.270 nan 0.000 0.430 328 E N 0.497 120.718 120.200 0.035 0.000 2.204 328 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 328 E C 1.898 178.545 176.600 0.078 0.000 0.989 328 E CA 0.569 56.993 56.400 0.040 0.000 0.824 328 E CB -0.030 29.676 29.700 0.010 0.000 0.756 328 E HN 0.091 nan 8.360 nan 0.000 0.477 329 L N 0.730 122.021 121.223 0.114 0.000 2.083 329 L HA -0.045 4.294 4.340 -0.001 0.000 0.209 329 L C 2.153 179.201 176.870 0.298 0.000 1.083 329 L CA 2.105 57.065 54.840 0.201 0.000 0.752 329 L CB -0.879 41.343 42.059 0.272 0.000 0.899 329 L HN 0.064 nan 8.230 nan 0.000 0.433 330 G N -0.963 107.997 108.800 0.267 0.000 2.440 330 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.218 330 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.218 330 G C 1.411 176.459 174.900 0.247 0.000 1.154 330 G CA 0.879 46.157 45.100 0.297 0.000 0.767 330 G HN 0.567 nan 8.290 nan 0.000 0.552 331 E N -0.055 120.234 120.200 0.148 0.000 2.160 331 E HA -0.114 4.235 4.350 -0.001 0.000 0.195 331 E C 2.677 179.326 176.600 0.080 0.000 0.991 331 E CA 0.979 57.437 56.400 0.096 0.000 0.810 331 E CB -0.136 29.598 29.700 0.057 0.000 0.742 331 E HN 0.350 nan 8.360 nan 0.000 0.466 332 V N 0.566 120.516 119.914 0.061 0.000 2.343 332 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 332 V C 1.503 177.534 176.094 -0.105 0.000 1.051 332 V CA 1.484 63.748 62.300 -0.060 0.000 1.036 332 V CB -0.485 31.241 31.823 -0.162 0.000 0.654 332 V HN 0.226 nan 8.190 nan 0.000 0.451 333 F N 0.416 120.412 119.950 0.076 0.000 2.707 333 F HA 0.065 4.591 4.527 -0.002 0.000 0.299 333 F C 1.872 177.697 175.800 0.043 0.000 1.259 333 F CA 0.425 58.464 58.000 0.066 0.000 1.437 333 F CB -0.544 38.506 39.000 0.083 0.000 1.071 333 F HN 0.277 nan 8.300 nan 0.000 0.518 334 E N -0.733 119.551 120.200 0.140 0.000 2.251 334 E HA 0.073 4.422 4.350 -0.001 0.000 0.194 334 E C 2.308 178.940 176.600 0.054 0.000 0.964 334 E CA 0.522 56.977 56.400 0.092 0.000 0.868 334 E CB 0.096 29.837 29.700 0.067 0.000 0.828 334 E HN 0.419 nan 8.360 nan 0.000 0.481 335 G N 0.762 109.582 108.800 0.033 0.000 3.159 335 G HA2 0.224 4.184 3.960 -0.001 0.000 0.232 335 G HA3 0.224 4.184 3.960 -0.001 0.000 0.232 335 G C 0.160 175.068 174.900 0.013 0.000 1.116 335 G CA 0.008 45.117 45.100 0.015 0.000 0.767 335 G HN -0.046 nan 8.290 nan 0.000 0.547 336 V N 0.388 120.319 119.914 0.028 0.000 2.888 336 V HA 0.271 4.390 4.120 -0.001 0.000 0.309 336 V C -0.108 176.068 176.094 0.137 0.000 1.114 336 V CA -0.753 61.570 62.300 0.037 0.000 0.940 336 V CB 2.268 34.074 31.823 -0.028 0.000 1.021 336 V HN 0.045 nan 8.190 nan 0.000 0.426 337 D N 1.480 121.973 120.400 0.155 0.000 2.103 337 D HA -0.002 4.637 4.640 -0.001 0.000 0.199 337 D C 0.533 177.082 176.300 0.415 0.000 0.978 337 D CA 1.754 55.926 54.000 0.287 0.000 0.829 337 D CB 0.509 41.523 40.800 0.355 0.000 0.981 337 D HN 0.516 nan 8.370 nan 0.000 0.464 338 V N -2.100 117.968 119.914 0.256 0.000 3.114 338 V HA 0.531 4.651 4.120 -0.001 0.000 0.308 338 V C -0.816 175.324 176.094 0.077 0.000 1.168 338 V CA -1.159 61.273 62.300 0.218 0.000 1.015 338 V CB 2.371 34.214 31.823 0.034 0.000 1.050 338 V HN -0.119 nan 8.190 nan 0.000 0.433 339 L N 2.585 123.832 121.223 0.040 0.000 2.334 339 L HA 0.693 5.032 4.340 -0.001 0.000 0.275 339 L C -0.870 175.924 176.870 -0.128 0.000 1.036 339 L CA -0.726 54.053 54.840 -0.102 0.000 0.807 339 L CB 1.757 43.696 42.059 -0.200 0.000 1.231 339 L HN 0.625 nan 8.230 nan 0.000 0.438 340 L N 1.884 123.030 121.223 -0.130 0.000 2.349 340 L HA 0.691 5.030 4.340 -0.001 0.000 0.278 340 L C -0.338 176.416 176.870 -0.192 0.000 0.996 340 L CA 0.462 55.217 54.840 -0.143 0.000 0.825 340 L CB 1.794 43.792 42.059 -0.102 0.000 1.243 340 L HN 0.679 nan 8.230 nan 0.000 0.412 341 T N 2.459 116.883 114.554 -0.217 0.000 2.618 341 T HA 0.531 4.880 4.350 -0.001 0.000 0.286 341 T C -1.080 173.459 174.700 -0.269 0.000 1.027 341 T CA -0.369 61.562 62.100 -0.281 0.000 1.063 341 T CB 0.425 69.246 68.868 -0.079 0.000 1.440 341 T HN 0.280 nan 8.240 nan 0.000 0.505 342 Y N 0.846 121.103 120.300 -0.071 0.000 2.326 342 Y HA 0.348 4.898 4.550 -0.001 0.000 0.333 342 Y C 1.869 177.749 175.900 -0.032 0.000 1.240 342 Y CA -0.156 57.870 58.100 -0.123 0.000 1.365 342 Y CB 0.839 39.088 38.460 -0.352 0.000 1.289 342 Y HN 0.479 nan 8.280 nan 0.000 0.548 343 S N 0.625 116.405 115.700 0.132 0.000 2.492 343 S HA 0.450 4.919 4.470 -0.001 0.000 0.218 343 S C 0.255 174.911 174.600 0.093 0.000 1.016 343 S CA 0.429 58.683 58.200 0.090 0.000 0.916 343 S CB 0.189 63.410 63.200 0.034 0.000 0.791 343 S HN 0.735 nan 8.310 nan 0.000 0.513 344 A N 0.677 123.555 122.820 0.095 0.000 2.586 344 A HA 0.633 4.952 4.320 -0.001 0.000 0.290 344 A C -2.711 174.914 177.584 0.068 0.000 1.086 344 A CA -1.046 51.064 52.037 0.121 0.000 0.665 344 A CB 0.019 19.047 19.000 0.046 0.000 1.279 344 A HN -0.077 nan 8.150 nan 0.000 0.423 345 P HA 0.152 nan 4.420 nan 0.000 0.225 345 P C 0.821 178.108 177.300 -0.022 0.000 1.148 345 P CA 2.001 65.164 63.100 0.105 0.000 0.779 345 P CB 0.220 32.089 31.700 0.282 0.000 0.780 346 G N -2.314 106.537 108.800 0.086 0.000 2.404 346 G HA2 0.189 4.149 3.960 -0.001 0.000 0.253 346 G HA3 0.189 4.149 3.960 -0.001 0.000 0.253 346 G C -0.907 174.058 174.900 0.109 0.000 1.253 346 G CA -0.106 45.021 45.100 0.046 0.000 0.917 346 G HN 0.050 nan 8.290 nan 0.000 0.480 347 T N -0.513 114.040 114.554 -0.001 0.000 2.856 347 T HA 0.586 4.935 4.350 -0.001 0.000 0.306 347 T C 0.943 175.464 174.700 -0.298 0.000 1.062 347 T CA 0.820 62.864 62.100 -0.093 0.000 1.083 347 T CB 0.999 69.788 68.868 -0.131 0.000 0.984 347 T HN 2.113 nan 8.240 nan 0.000 0.542 348 A N 3.391 125.879 122.820 -0.553 0.000 2.567 348 A HA 0.414 4.733 4.320 -0.001 0.000 0.240 348 A C -2.101 175.306 177.584 -0.295 0.000 1.053 348 A CA -1.036 50.434 52.037 -0.945 0.000 0.755 348 A CB -0.973 17.680 19.000 -0.578 0.000 0.978 348 A HN 0.727 nan 8.150 nan 0.000 0.507 349 P HA 0.292 nan 4.420 nan 0.000 0.271 349 P C -0.086 177.203 177.300 -0.019 0.000 1.218 349 P CA 0.166 63.239 63.100 -0.045 0.000 0.780 349 P CB 0.720 32.395 31.700 -0.041 0.000 0.901 350 A N 3.167 125.892 122.820 -0.159 0.000 2.498 350 A HA 0.025 4.344 4.320 -0.001 0.000 0.239 350 A C 1.486 178.933 177.584 -0.228 0.000 1.068 350 A CA 0.092 51.837 52.037 -0.486 0.000 0.766 350 A CB 0.024 18.779 19.000 -0.409 0.000 1.003 350 A HN 0.449 nan 8.150 nan 0.000 0.497 351 K N 2.117 122.391 120.400 -0.210 0.000 2.113 351 K HA -0.224 4.095 4.320 -0.001 0.000 0.208 351 K C 2.167 178.727 176.600 -0.067 0.000 1.047 351 K CA 1.676 57.910 56.287 -0.088 0.000 0.928 351 K CB -0.778 31.687 32.500 -0.058 0.000 0.716 351 K HN 0.847 nan 8.250 nan 0.000 0.446 352 A N 1.280 124.046 122.820 -0.090 0.000 2.032 352 A HA -0.142 4.177 4.320 -0.001 0.000 0.221 352 A C 2.122 179.683 177.584 -0.039 0.000 1.165 352 A CA 1.236 53.239 52.037 -0.058 0.000 0.645 352 A CB -0.597 18.364 19.000 -0.065 0.000 0.807 352 A HN 0.247 nan 8.150 nan 0.000 0.453 353 L N -1.478 119.719 121.223 -0.043 0.000 2.552 353 L HA 0.126 4.466 4.340 -0.001 0.000 0.227 353 L C 1.562 178.430 176.870 -0.002 0.000 1.146 353 L CA 0.284 55.112 54.840 -0.019 0.000 0.858 353 L CB -0.546 41.502 42.059 -0.018 0.000 0.969 353 L HN 0.528 nan 8.230 nan 0.000 0.451 354 A N 0.470 123.288 122.820 -0.003 0.000 2.640 354 A HA -0.214 4.105 4.320 -0.001 0.000 0.300 354 A C 0.550 178.150 177.584 0.026 0.000 1.499 354 A CA 0.998 53.041 52.037 0.012 0.000 0.759 354 A CB -1.687 17.321 19.000 0.013 0.000 1.048 354 A HN 0.401 nan 8.150 nan 0.000 0.450 355 S N -1.215 114.504 115.700 0.032 0.000 2.548 355 S HA 0.652 5.121 4.470 -0.001 0.000 0.276 355 S C 0.904 175.554 174.600 0.083 0.000 1.129 355 S CA 0.542 58.775 58.200 0.054 0.000 0.931 355 S CB 1.470 64.702 63.200 0.054 0.000 1.068 355 S HN 1.445 nan 8.310 nan 0.000 0.480 356 T N 0.888 115.507 114.554 0.107 0.000 3.129 356 T HA 0.534 4.884 4.350 -0.001 0.000 0.251 356 T C 1.058 175.923 174.700 0.275 0.000 1.117 356 T CA 0.381 62.579 62.100 0.163 0.000 1.034 356 T CB -0.713 68.225 68.868 0.117 0.000 0.968 356 T HN 1.740 nan 8.240 nan 0.000 0.526 357 G N 0.846 109.786 108.800 0.233 0.000 2.629 357 G HA2 0.023 3.983 3.960 -0.001 0.000 0.686 357 G HA3 0.023 3.983 3.960 -0.001 0.000 0.686 357 G C -1.432 173.574 174.900 0.177 0.000 1.232 357 G CA -0.634 44.646 45.100 0.301 0.000 0.803 357 G HN 0.405 nan 8.290 nan 0.000 0.638 358 D N 1.069 121.571 120.400 0.170 0.000 2.280 358 D HA 0.514 5.154 4.640 -0.001 0.000 0.243 358 D C -0.856 175.498 176.300 0.091 0.000 1.129 358 D CA -1.996 52.066 54.000 0.103 0.000 0.848 358 D CB 1.582 42.438 40.800 0.094 0.000 1.107 358 D HN 0.141 nan 8.370 nan 0.000 0.471 359 P HA 0.058 nan 4.420 nan 0.000 0.256 359 P C 0.808 178.116 177.300 0.013 0.000 1.384 359 P CA -0.036 63.079 63.100 0.026 0.000 0.879 359 P CB -0.043 31.644 31.700 -0.021 0.000 1.403 360 R N -0.597 119.889 120.500 -0.024 0.000 2.200 360 R HA -0.140 4.199 4.340 -0.001 0.000 0.234 360 R C 0.809 177.106 176.300 -0.005 0.000 1.127 360 R CA 1.385 57.486 56.100 0.002 0.000 0.989 360 R CB -1.396 28.856 30.300 -0.080 0.000 0.869 360 R HN 0.217 nan 8.270 nan 0.000 0.459 361 Y N 0.304 120.738 120.300 0.223 0.000 2.457 361 Y HA 0.256 4.806 4.550 -0.001 0.000 0.263 361 Y C 1.312 177.413 175.900 0.335 0.000 1.164 361 Y CA -0.214 58.033 58.100 0.246 0.000 1.274 361 Y CB 0.320 38.894 38.460 0.191 0.000 1.097 361 Y HN 0.166 nan 8.280 nan 0.000 0.523 362 N N -0.110 118.789 118.700 0.332 0.000 2.503 362 N HA -0.007 4.732 4.740 -0.001 0.000 0.210 362 N C 1.907 177.536 175.510 0.198 0.000 1.077 362 N CA 0.307 53.556 53.050 0.331 0.000 0.855 362 N CB -0.160 38.441 38.487 0.190 0.000 1.323 362 N HN 0.367 nan 8.380 nan 0.000 0.452 363 R N 1.556 122.039 120.500 -0.027 0.000 2.103 363 R HA -0.106 4.234 4.340 -0.001 0.000 0.242 363 R C 2.047 178.224 176.300 -0.204 0.000 1.142 363 R CA 1.252 57.141 56.100 -0.351 0.000 0.960 363 R CB -0.870 28.846 30.300 -0.974 0.000 0.858 363 R HN 0.085 nan 8.270 nan 0.000 0.439 364 L N 0.815 121.954 121.223 -0.141 0.000 1.990 364 L HA -0.131 4.209 4.340 -0.001 0.000 0.213 364 L C 2.001 178.706 176.870 -0.275 0.000 1.072 364 L CA 1.777 56.455 54.840 -0.271 0.000 0.755 364 L CB -0.688 41.055 42.059 -0.527 0.000 0.889 364 L HN 0.324 nan 8.230 nan 0.000 0.432 365 W N -0.659 120.748 121.300 0.178 0.000 2.392 365 W HA -0.126 4.533 4.660 -0.001 0.000 0.279 365 W C 2.375 178.974 176.519 0.133 0.000 1.225 365 W CA 1.050 58.493 57.345 0.163 0.000 1.233 365 W CB -1.126 28.434 29.460 0.166 0.000 1.122 365 W HN 0.080 nan 8.180 nan 0.000 0.561 366 T N 1.124 115.838 114.554 0.267 0.000 2.821 366 T HA -0.184 4.166 4.350 -0.001 0.000 0.267 366 T C 1.744 176.492 174.700 0.079 0.000 1.046 366 T CA 1.266 63.483 62.100 0.195 0.000 1.139 366 T CB -0.514 68.463 68.868 0.181 0.000 0.871 366 T HN 0.006 nan 8.240 nan 0.000 0.454 367 L N 0.681 121.942 121.223 0.064 0.000 2.109 367 L HA 0.126 4.465 4.340 -0.001 0.000 0.207 367 L C 2.058 178.878 176.870 -0.084 0.000 1.086 367 L CA 1.555 56.359 54.840 -0.061 0.000 0.760 367 L CB -0.646 41.407 42.059 -0.009 0.000 0.910 367 L HN 0.114 nan 8.230 nan 0.000 0.437 368 M N -0.729 118.888 119.600 0.028 0.000 2.229 368 M HA 0.123 4.603 4.480 -0.001 0.000 0.264 368 M C 1.888 178.262 176.300 0.124 0.000 1.063 368 M CA 1.201 56.550 55.300 0.081 0.000 1.114 368 M CB -1.499 31.231 32.600 0.216 0.000 1.387 368 M HN 0.506 nan 8.290 nan 0.000 0.420 369 G N 0.363 109.285 108.800 0.203 0.000 2.217 369 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.246 369 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.246 369 G C 0.130 175.362 174.900 0.555 0.000 0.990 369 G CA 0.276 45.608 45.100 0.387 0.000 0.627 369 G HN 0.481 nan 8.290 nan 0.000 0.522 370 N N 2.745 121.721 118.700 0.459 0.000 2.395 370 N HA 0.408 5.148 4.740 -0.001 0.000 0.246 370 N C -2.085 173.547 175.510 0.203 0.000 1.246 370 N CA -0.071 53.175 53.050 0.327 0.000 0.879 370 N CB 0.660 39.335 38.487 0.314 0.000 1.098 370 N HN 0.268 nan 8.380 nan 0.000 0.444 371 P HA 0.133 nan 4.420 nan 0.000 0.276 371 P C -0.783 176.524 177.300 0.011 0.000 1.243 371 P CA -0.193 62.927 63.100 0.033 0.000 0.768 371 P CB 0.421 32.113 31.700 -0.014 0.000 0.856 372 C N 3.601 122.906 119.300 0.009 0.000 2.507 372 C HA 0.624 5.084 4.460 -0.001 0.000 0.319 372 C C 0.086 175.043 174.990 -0.055 0.000 1.208 372 C CA -0.465 58.529 59.018 -0.040 0.000 1.619 372 C CB 1.641 29.371 27.740 -0.018 0.000 2.230 372 C HN 0.357 nan 8.230 nan 0.000 0.492 373 V N 2.904 122.776 119.914 -0.071 0.000 2.577 373 V HA 0.397 4.517 4.120 -0.001 0.000 0.303 373 V C -0.407 175.646 176.094 -0.067 0.000 1.042 373 V CA -0.437 61.820 62.300 -0.071 0.000 0.872 373 V CB 1.903 33.695 31.823 -0.051 0.000 0.998 373 V HN 0.888 nan 8.190 nan 0.000 0.423 374 N N 3.224 121.882 118.700 -0.070 0.000 2.472 374 N HA 0.526 5.265 4.740 -0.001 0.000 0.277 374 N C -1.073 174.415 175.510 -0.038 0.000 1.081 374 N CA -0.183 52.838 53.050 -0.048 0.000 0.973 374 N CB 1.574 40.038 38.487 -0.039 0.000 1.105 374 N HN 0.427 nan 8.380 nan 0.000 0.470 375 V N 5.283 125.180 119.914 -0.028 0.000 2.407 375 V HA 0.424 4.544 4.120 -0.001 0.000 0.291 375 V C -2.189 173.894 176.094 -0.018 0.000 1.018 375 V CA -1.776 60.510 62.300 -0.023 0.000 0.842 375 V CB 1.489 33.301 31.823 -0.019 0.000 0.996 375 V HN 0.757 nan 8.190 nan 0.000 0.426 376 P HA 0.160 nan 4.420 nan 0.000 0.267 376 P C 0.385 177.670 177.300 -0.025 0.000 1.205 376 P CA 0.361 63.452 63.100 -0.016 0.000 0.765 376 P CB 1.260 32.953 31.700 -0.012 0.000 0.828 377 V N 3.513 123.411 119.914 -0.027 0.000 2.840 377 V HA 0.189 4.309 4.120 -0.001 0.000 0.234 377 V C 0.678 176.752 176.094 -0.034 0.000 1.159 377 V CA 1.012 63.294 62.300 -0.031 0.000 1.194 377 V CB -0.231 31.576 31.823 -0.027 0.000 0.971 377 V HN 0.409 nan 8.190 nan 0.000 0.494 378 L N -1.321 119.879 121.223 -0.038 0.000 2.828 378 L HA 0.692 5.032 4.340 -0.001 0.000 0.264 378 L C -1.627 175.206 176.870 -0.062 0.000 1.106 378 L CA -0.845 53.969 54.840 -0.044 0.000 0.955 378 L CB 1.504 43.543 42.059 -0.035 0.000 1.558 378 L HN 0.060 nan 8.230 nan 0.000 0.386 379 K N 0.197 120.558 120.400 -0.065 0.000 2.371 379 K HA 0.812 5.131 4.320 -0.001 0.000 0.251 379 K C -1.433 175.127 176.600 -0.067 0.000 0.934 379 K CA -0.771 55.464 56.287 -0.086 0.000 0.798 379 K CB 2.959 35.397 32.500 -0.103 0.000 1.204 379 K HN 0.419 nan 8.250 nan 0.000 0.427 380 V N 1.600 121.467 119.914 -0.078 0.000 2.443 380 V HA 0.432 4.551 4.120 -0.001 0.000 0.293 380 V C 0.747 176.793 176.094 -0.079 0.000 1.021 380 V CA -0.352 61.910 62.300 -0.064 0.000 0.848 380 V CB 1.117 32.907 31.823 -0.055 0.000 0.998 380 V HN 1.056 nan 8.190 nan 0.000 0.424 381 G N 3.560 112.324 108.800 -0.060 0.000 2.198 381 G HA2 0.029 3.988 3.960 -0.001 0.000 0.260 381 G HA3 0.029 3.988 3.960 -0.001 0.000 0.260 381 G C 1.191 176.046 174.900 -0.076 0.000 1.025 381 G CA 0.795 45.859 45.100 -0.060 0.000 0.769 381 G HN 2.303 nan 8.290 nan 0.000 0.507 382 G N -2.296 106.462 108.800 -0.070 0.000 2.199 382 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.254 382 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.254 382 G C 0.319 175.154 174.900 -0.109 0.000 0.982 382 G CA 0.508 45.571 45.100 -0.062 0.000 0.632 382 G HN 1.225 nan 8.290 nan 0.000 0.529 383 L N 1.452 122.577 121.223 -0.162 0.000 2.292 383 L HA 0.436 4.775 4.340 -0.001 0.000 0.284 383 L C -1.950 174.798 176.870 -0.203 0.000 1.065 383 L CA -1.798 52.913 54.840 -0.214 0.000 0.806 383 L CB 0.826 42.716 42.059 -0.282 0.000 1.175 383 L HN -0.104 nan 8.230 nan 0.000 0.431 384 P HA 0.201 nan 4.420 nan 0.000 0.268 384 P C -0.608 176.650 177.300 -0.070 0.000 1.205 384 P CA 0.016 62.987 63.100 -0.216 0.000 0.771 384 P CB 0.818 32.324 31.700 -0.323 0.000 0.858 385 I N 2.148 122.691 120.570 -0.045 0.000 2.533 385 I HA 0.545 4.715 4.170 -0.001 0.000 0.290 385 I C 0.606 176.726 176.117 0.005 0.000 1.056 385 I CA -0.131 61.172 61.300 0.005 0.000 1.057 385 I CB 1.668 39.666 38.000 -0.004 0.000 1.240 385 I HN 0.441 nan 8.210 nan 0.000 0.423 386 G N 4.796 113.612 108.800 0.027 0.000 2.818 386 G HA2 0.788 4.748 3.960 -0.001 0.000 0.286 386 G HA3 0.788 4.748 3.960 -0.001 0.000 0.286 386 G C -1.057 173.851 174.900 0.013 0.000 1.364 386 G CA -0.527 44.580 45.100 0.011 0.000 0.938 386 G HN 0.466 nan 8.290 nan 0.000 0.490 387 V N -2.482 117.426 119.914 -0.010 0.000 3.001 387 V HA 0.778 4.897 4.120 -0.001 0.000 0.314 387 V C -0.558 175.511 176.094 -0.042 0.000 1.099 387 V CA -1.072 61.209 62.300 -0.030 0.000 0.989 387 V CB 1.652 33.441 31.823 -0.058 0.000 1.040 387 V HN 0.830 nan 8.190 nan 0.000 0.434 388 Q N 1.529 121.291 119.800 -0.064 0.000 2.325 388 Q HA 0.662 5.002 4.340 -0.001 0.000 0.262 388 Q C -1.557 174.362 176.000 -0.135 0.000 0.968 388 Q CA -0.592 55.158 55.803 -0.089 0.000 0.877 388 Q CB 2.001 30.689 28.738 -0.082 0.000 1.253 388 Q HN 0.806 nan 8.270 nan 0.000 0.448 389 V N 6.469 126.315 119.914 -0.113 0.000 2.383 389 V HA 0.436 4.555 4.120 -0.001 0.000 0.275 389 V C -0.147 175.866 176.094 -0.136 0.000 1.036 389 V CA -0.374 61.861 62.300 -0.109 0.000 0.889 389 V CB 1.111 32.896 31.823 -0.062 0.000 0.985 389 V HN 0.711 nan 8.190 nan 0.000 0.459 390 I N 4.182 124.662 120.570 -0.150 0.000 2.466 390 I HA 0.790 4.960 4.170 -0.001 0.000 0.289 390 I C 0.207 176.373 176.117 0.082 0.000 1.026 390 I CA -0.449 60.776 61.300 -0.125 0.000 1.078 390 I CB 1.953 39.719 38.000 -0.390 0.000 1.249 390 I HN 0.670 nan 8.210 nan 0.000 0.429 391 A N 5.935 128.762 122.820 0.012 0.000 2.344 391 A HA 0.805 5.124 4.320 -0.001 0.000 0.307 391 A C -0.249 176.977 177.584 -0.598 0.000 1.151 391 A CA -0.825 51.169 52.037 -0.072 0.000 0.842 391 A CB 0.987 19.980 19.000 -0.012 0.000 1.350 391 A HN 0.748 nan 8.150 nan 0.000 0.459 392 R N -0.639 119.254 120.500 -1.012 0.000 2.784 392 R HA 0.211 4.550 4.340 -0.001 0.000 0.266 392 R C -0.463 175.648 176.300 -0.314 0.000 1.044 392 R CA -0.214 55.269 56.100 -1.029 0.000 1.151 392 R CB 0.146 30.059 30.300 -0.645 0.000 1.037 392 R HN 0.553 nan 8.270 nan 0.000 0.478 393 F N 1.316 121.122 119.950 -0.241 0.000 2.612 393 F HA 0.082 4.610 4.527 0.001 0.000 0.389 393 F C 1.403 177.172 175.800 -0.051 0.000 1.055 393 F CA 1.885 59.846 58.000 -0.065 0.000 1.232 393 F CB 0.237 39.243 39.000 0.009 0.000 1.044 393 F HN 0.845 nan 8.300 nan 0.000 0.560 394 G N 3.874 112.270 108.800 -0.675 0.000 2.176 394 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.253 394 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.253 394 G C 0.497 175.255 174.900 -0.236 0.000 0.979 394 G CA 0.330 45.151 45.100 -0.465 0.000 0.641 394 G HN 0.720 nan 8.290 nan 0.000 0.530 395 N N 0.812 119.403 118.700 -0.181 0.000 2.451 395 N HA 0.387 5.126 4.740 -0.001 0.000 0.264 395 N C 1.188 176.668 175.510 -0.049 0.000 1.167 395 N CA 0.380 53.368 53.050 -0.102 0.000 0.898 395 N CB 0.147 38.593 38.487 -0.068 0.000 1.176 395 N HN 0.359 nan 8.380 nan 0.000 0.507 396 D N 0.173 120.535 120.400 -0.063 0.000 2.133 396 D HA -0.223 4.416 4.640 -0.001 0.000 0.192 396 D C 1.876 178.234 176.300 0.096 0.000 1.001 396 D CA 1.561 55.590 54.000 0.050 0.000 0.844 396 D CB -0.070 40.848 40.800 0.196 0.000 0.944 396 D HN 0.379 nan 8.370 nan 0.000 0.447 397 A N 0.319 123.127 122.820 -0.020 0.000 1.892 397 A HA -0.294 4.026 4.320 -0.001 0.000 0.218 397 A C 2.088 179.729 177.584 0.096 0.000 1.188 397 A CA 2.206 54.248 52.037 0.007 0.000 0.631 397 A CB -1.031 17.868 19.000 -0.168 0.000 0.822 397 A HN 0.395 nan 8.150 nan 0.000 0.447 398 H N -0.011 119.042 119.070 -0.028 0.000 2.387 398 H HA 0.075 4.631 4.556 -0.001 0.000 0.299 398 H C 2.138 177.480 175.328 0.023 0.000 1.090 398 H CA 1.656 57.697 56.048 -0.011 0.000 1.332 398 H CB -0.386 29.352 29.762 -0.039 0.000 1.386 398 H HN 0.384 nan 8.280 nan 0.000 0.516 399 A N 0.554 123.336 122.820 -0.063 0.000 1.908 399 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 399 A C 2.576 180.136 177.584 -0.040 0.000 1.181 399 A CA 1.627 53.603 52.037 -0.102 0.000 0.627 399 A CB -0.900 18.079 19.000 -0.035 0.000 0.818 399 A HN 0.473 nan 8.150 nan 0.000 0.445 400 L N -0.944 120.306 121.223 0.045 0.000 2.056 400 L HA -0.152 4.187 4.340 -0.001 0.000 0.207 400 L C 3.107 180.085 176.870 0.180 0.000 1.078 400 L CA 0.937 55.840 54.840 0.105 0.000 0.749 400 L CB -0.571 41.582 42.059 0.156 0.000 0.901 400 L HN 0.434 nan 8.230 nan 0.000 0.433 401 A N -0.265 122.648 122.820 0.155 0.000 1.908 401 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 401 A C 2.363 180.033 177.584 0.143 0.000 1.181 401 A CA 2.458 54.600 52.037 0.176 0.000 0.627 401 A CB -0.917 18.153 19.000 0.117 0.000 0.818 401 A HN 0.390 nan 8.150 nan 0.000 0.445 402 T N 0.043 114.594 114.554 -0.005 0.000 2.857 402 T HA 0.101 4.450 4.350 -0.001 0.000 0.266 402 T C 2.197 177.008 174.700 0.185 0.000 1.048 402 T CA 1.242 63.353 62.100 0.018 0.000 1.139 402 T CB -0.357 68.385 68.868 -0.211 0.000 0.874 402 T HN 0.581 nan 8.240 nan 0.000 0.455 403 A N 0.995 123.888 122.820 0.122 0.000 1.933 403 A HA -0.107 4.212 4.320 -0.001 0.000 0.218 403 A C 2.085 179.790 177.584 0.203 0.000 1.175 403 A CA 1.150 53.258 52.037 0.118 0.000 0.628 403 A CB -0.902 18.130 19.000 0.053 0.000 0.814 403 A HN 0.636 nan 8.150 nan 0.000 0.444 404 W N 0.109 121.435 121.300 0.043 0.000 2.381 404 W HA -0.177 4.482 4.660 -0.001 0.000 0.301 404 W C 1.888 178.437 176.519 0.050 0.000 1.205 404 W CA 1.225 58.593 57.345 0.038 0.000 1.285 404 W CB -1.076 28.414 29.460 0.050 0.000 1.133 404 W HN 0.443 nan 8.180 nan 0.000 0.521 405 F N 0.886 120.946 119.950 0.184 0.000 2.095 405 F HA -0.245 4.281 4.527 -0.001 0.000 0.298 405 F C 2.341 178.179 175.800 0.063 0.000 1.104 405 F CA 2.314 60.343 58.000 0.047 0.000 1.232 405 F CB -1.022 37.975 39.000 -0.005 0.000 0.987 405 F HN -0.164 nan 8.300 nan 0.000 0.475 406 L N 0.214 121.379 121.223 -0.097 0.000 2.083 406 L HA -0.206 4.133 4.340 -0.001 0.000 0.209 406 L C 2.357 179.126 176.870 -0.168 0.000 1.083 406 L CA 1.793 56.500 54.840 -0.222 0.000 0.752 406 L CB -0.511 41.553 42.059 0.010 0.000 0.899 406 L HN 0.292 nan 8.230 nan 0.000 0.433 407 E N -0.269 119.912 120.200 -0.031 0.000 2.051 407 E HA -0.247 4.103 4.350 -0.001 0.000 0.192 407 E C 1.694 178.279 176.600 -0.025 0.000 0.991 407 E CA 1.494 57.892 56.400 -0.004 0.000 0.799 407 E CB -0.095 29.637 29.700 0.054 0.000 0.748 407 E HN 0.529 nan 8.360 nan 0.000 0.449 408 D N 0.492 120.888 120.400 -0.007 0.000 2.144 408 D HA -0.100 4.539 4.640 -0.001 0.000 0.200 408 D C 1.872 178.082 176.300 -0.151 0.000 0.978 408 D CA 1.156 55.133 54.000 -0.038 0.000 0.833 408 D CB -0.191 40.603 40.800 -0.011 0.000 0.961 408 D HN 0.156 nan 8.370 nan 0.000 0.470 409 A N 0.558 123.185 122.820 -0.321 0.000 1.969 409 A HA -0.074 4.245 4.320 -0.001 0.000 0.218 409 A C 2.342 179.816 177.584 -0.184 0.000 1.169 409 A CA 0.708 52.544 52.037 -0.336 0.000 0.635 409 A CB -0.601 18.037 19.000 -0.603 0.000 0.810 409 A HN 0.189 nan 8.150 nan 0.000 0.445 410 L N -1.009 120.124 121.223 -0.150 0.000 2.156 410 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 410 L C 2.893 179.726 176.870 -0.062 0.000 1.095 410 L CA 0.841 55.627 54.840 -0.090 0.000 0.770 410 L CB -0.357 41.659 42.059 -0.073 0.000 0.914 410 L HN 0.413 nan 8.230 nan 0.000 0.439 411 A N -1.052 121.735 122.820 -0.055 0.000 2.168 411 A HA -0.032 4.287 4.320 -0.001 0.000 0.215 411 A C 0.676 178.240 177.584 -0.033 0.000 1.152 411 A CA 0.421 52.438 52.037 -0.033 0.000 0.716 411 A CB -0.048 18.943 19.000 -0.016 0.000 0.794 411 A HN 0.310 nan 8.150 nan 0.000 0.465 412 K N 0.000 120.370 120.400 -0.050 0.000 2.780 412 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 412 K CA 0.000 56.261 56.287 -0.044 0.000 0.838 412 K CB 0.000 32.482 32.500 -0.031 0.000 1.064 412 K HN 0.000 nan 8.250 nan 0.000 0.543