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 2nyn_1_B DATA FIRST_RESID 25 DATA SEQUENCE NVIIGNQKLT INDVARVARN GTLVSLTNNT DILQGIQASC DYINNAVESG DATA SEQUENCE XXXXXXXXXX XXXXXXXISR EQASELQTNL VWFLKTGAGN KLPLADVRAA DATA SEQUENCE MLLRANSHMR GASGIRLELI KRMEIFLNAG VTPYVYEFGS IGXXXDLVPL DATA SEQUENCE SYITGSLIGL DPSFKVDFNG KEMDAPTALR QLNLSPLTLL PKEGLAMMNG DATA SEQUENCE TSVMTGIAAN CVYDTQILTA IAMGVHALDI QALNGTNQSF HPFIHNSKPH DATA SEQUENCE PGQLWAADQM ISLLANSQLV RDELDGKXXX XXXXXIQDRY SLRCLPQYLG DATA SEQUENCE PIVDGISQIA KQIEIEINSV TDNPLIDVDN QASYHGGNFL GQYVGMGMDH DATA SEQUENCE LRYYIGLLAK HLDVQIALLA SPEFSNGLPP SLLGNRERKV NMGLKGLQIC DATA SEQUENCE GNSIMPLLTF YGNSIADRFP THAEQFNQNI NSQGYTSATL ARRSVDIFQN DATA SEQUENCE YVAIALMFGV QAVDLRTYKK TGHYDARACL SPATERLYSA VRHVVGQKPT DATA SEQUENCE SDRPYIWNDN EQGLDEHIAR ISADIAAGGV IVQAVQDIL 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 25 N HA 0.000 nan 4.740 nan 0.000 0.220 25 N C 0.000 175.507 175.510 -0.005 0.000 1.280 25 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 25 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 26 V N 3.765 123.674 119.914 -0.008 0.000 2.368 26 V HA 0.433 4.553 4.120 0.001 0.000 0.266 26 V C 0.321 176.410 176.094 -0.009 0.000 1.045 26 V CA -0.182 62.112 62.300 -0.011 0.000 0.899 26 V CB 0.783 32.596 31.823 -0.017 0.000 1.006 26 V HN 0.053 nan 8.190 nan 0.000 0.470 27 I N 6.093 126.658 120.570 -0.008 0.000 2.385 27 I HA 0.457 4.628 4.170 0.001 0.000 0.294 27 I C -0.199 175.913 176.117 -0.009 0.000 0.988 27 I CA -0.374 60.922 61.300 -0.007 0.000 1.265 27 I CB 1.592 39.589 38.000 -0.005 0.000 1.388 27 I HN 0.410 nan 8.210 nan 0.000 0.480 28 I N 5.113 125.677 120.570 -0.009 0.000 2.354 28 I HA 0.495 4.666 4.170 0.001 0.000 0.292 28 I C 0.946 177.059 176.117 -0.007 0.000 0.989 28 I CA 0.031 61.324 61.300 -0.011 0.000 1.188 28 I CB 1.453 39.445 38.000 -0.014 0.000 1.342 28 I HN 0.947 nan 8.210 nan 0.000 0.457 29 G N 4.529 113.325 108.800 -0.007 0.000 2.541 29 G HA2 -0.235 3.725 3.960 0.001 0.000 0.201 29 G HA3 -0.235 3.725 3.960 0.001 0.000 0.201 29 G C 0.749 175.646 174.900 -0.005 0.000 1.026 29 G CA -0.242 44.856 45.100 -0.004 0.000 0.687 29 G HN 0.505 nan 8.290 nan 0.000 0.492 30 N N 1.112 119.808 118.700 -0.006 0.000 2.202 30 N HA 0.097 4.838 4.740 0.001 0.000 0.191 30 N C 1.375 176.881 175.510 -0.007 0.000 1.054 30 N CA 1.456 54.502 53.050 -0.006 0.000 0.877 30 N CB -0.359 38.126 38.487 -0.005 0.000 1.057 30 N HN 0.808 nan 8.380 nan 0.000 0.456 31 Q N 0.946 120.742 119.800 -0.008 0.000 2.193 31 Q HA 0.368 4.709 4.340 0.001 0.000 0.246 31 Q C -0.704 175.289 176.000 -0.012 0.000 0.959 31 Q CA -0.661 55.137 55.803 -0.009 0.000 0.904 31 Q CB 1.450 30.184 28.738 -0.007 0.000 1.238 31 Q HN -0.067 nan 8.270 nan 0.000 0.469 32 K N 1.294 121.686 120.400 -0.013 0.000 2.382 32 K HA 0.205 4.526 4.320 0.001 0.000 0.275 32 K C -0.249 176.341 176.600 -0.016 0.000 1.009 32 K CA -0.184 56.093 56.287 -0.017 0.000 0.970 32 K CB 0.473 32.961 32.500 -0.019 0.000 0.934 32 K HN 0.455 nan 8.250 nan 0.000 0.479 33 L N 2.167 123.379 121.223 -0.019 0.000 2.395 33 L HA 0.159 4.500 4.340 0.001 0.000 0.269 33 L C 0.954 177.815 176.870 -0.015 0.000 1.133 33 L CA -0.291 54.538 54.840 -0.018 0.000 0.812 33 L CB 0.861 42.906 42.059 -0.024 0.000 1.125 33 L HN 0.800 nan 8.230 nan 0.000 0.452 34 T N -1.767 112.781 114.554 -0.010 0.000 2.948 34 T HA 0.447 4.798 4.350 0.001 0.000 0.285 34 T C 1.225 175.925 174.700 0.001 0.000 1.019 34 T CA -0.824 61.276 62.100 -0.001 0.000 1.013 34 T CB 1.518 70.391 68.868 0.009 0.000 1.117 34 T HN 0.413 nan 8.240 nan 0.000 0.533 35 I N 0.861 121.444 120.570 0.021 0.000 2.286 35 I HA -0.147 4.024 4.170 0.001 0.000 0.248 35 I C 2.681 178.806 176.117 0.013 0.000 1.115 35 I CA 1.503 62.824 61.300 0.034 0.000 1.392 35 I CB -0.491 37.562 38.000 0.088 0.000 1.065 35 I HN 0.753 nan 8.210 nan 0.000 0.418 36 N N 0.849 119.580 118.700 0.052 0.000 2.166 36 N HA -0.217 4.524 4.740 0.001 0.000 0.186 36 N C 1.504 176.975 175.510 -0.064 0.000 1.019 36 N CA 1.424 54.493 53.050 0.032 0.000 0.856 36 N CB 0.055 38.598 38.487 0.093 0.000 0.993 36 N HN 0.218 nan 8.380 nan 0.000 0.426 37 D N -0.487 119.889 120.400 -0.039 0.000 2.117 37 D HA -0.112 4.529 4.640 0.001 0.000 0.197 37 D C 1.985 178.238 176.300 -0.078 0.000 0.987 37 D CA 0.860 54.832 54.000 -0.048 0.000 0.829 37 D CB -0.316 40.466 40.800 -0.029 0.000 0.961 37 D HN 0.119 nan 8.370 nan 0.000 0.460 38 V N 1.698 121.562 119.914 -0.083 0.000 2.295 38 V HA -0.234 3.887 4.120 0.001 0.000 0.246 38 V C 2.605 178.607 176.094 -0.154 0.000 1.049 38 V CA 1.779 64.024 62.300 -0.092 0.000 1.024 38 V CB -0.820 30.962 31.823 -0.068 0.000 0.648 38 V HN 0.163 nan 8.190 nan 0.000 0.447 39 A N 0.211 122.867 122.820 -0.274 0.000 1.883 39 A HA -0.255 4.066 4.320 0.001 0.000 0.217 39 A C 2.371 179.760 177.584 -0.324 0.000 1.186 39 A CA 2.055 53.808 52.037 -0.473 0.000 0.624 39 A CB -0.517 17.745 19.000 -1.230 0.000 0.822 39 A HN 0.538 nan 8.150 nan 0.000 0.444 40 R N -0.773 119.582 120.500 -0.240 0.000 2.073 40 R HA -0.092 4.249 4.340 0.001 0.000 0.234 40 R C 2.039 178.286 176.300 -0.089 0.000 1.134 40 R CA 1.548 57.570 56.100 -0.131 0.000 0.952 40 R CB -0.690 29.562 30.300 -0.080 0.000 0.850 40 R HN 0.394 nan 8.270 nan 0.000 0.433 41 V N 1.002 120.868 119.914 -0.081 0.000 2.358 41 V HA -0.212 3.909 4.120 0.001 0.000 0.246 41 V C 2.428 178.491 176.094 -0.051 0.000 1.047 41 V CA 1.972 64.240 62.300 -0.053 0.000 1.035 41 V CB -0.647 31.149 31.823 -0.045 0.000 0.658 41 V HN 0.419 nan 8.190 nan 0.000 0.452 42 A N -0.222 122.555 122.820 -0.070 0.000 1.872 42 A HA -0.114 4.207 4.320 0.001 0.000 0.214 42 A C 2.376 179.931 177.584 -0.049 0.000 1.187 42 A CA 1.262 53.266 52.037 -0.056 0.000 0.614 42 A CB -0.281 18.679 19.000 -0.067 0.000 0.826 42 A HN 0.412 nan 8.150 nan 0.000 0.442 43 R N -0.500 119.957 120.500 -0.072 0.000 2.128 43 R HA 0.096 4.437 4.340 0.001 0.000 0.211 43 R C 0.566 176.850 176.300 -0.027 0.000 1.067 43 R CA 0.825 56.898 56.100 -0.046 0.000 1.010 43 R CB -0.436 29.830 30.300 -0.056 0.000 0.922 43 R HN 0.494 nan 8.270 nan 0.000 0.457 44 N N 0.128 118.806 118.700 -0.037 0.000 2.280 44 N HA 0.047 4.788 4.740 0.001 0.000 0.192 44 N C 0.746 176.249 175.510 -0.012 0.000 1.109 44 N CA 0.780 53.819 53.050 -0.018 0.000 0.855 44 N CB 0.860 39.335 38.487 -0.019 0.000 0.974 44 N HN 0.327 nan 8.380 nan 0.000 0.482 45 G N 1.198 109.989 108.800 -0.015 0.000 2.198 45 G HA2 -0.292 3.669 3.960 0.001 0.000 0.260 45 G HA3 -0.292 3.669 3.960 0.001 0.000 0.260 45 G C 0.092 174.988 174.900 -0.007 0.000 1.025 45 G CA 0.561 45.657 45.100 -0.007 0.000 0.769 45 G HN 0.281 nan 8.290 nan 0.000 0.507 46 T N 1.113 115.658 114.554 -0.015 0.000 2.934 46 T HA 0.348 4.698 4.350 0.001 0.000 0.306 46 T C 1.289 175.984 174.700 -0.008 0.000 1.042 46 T CA -0.004 62.089 62.100 -0.012 0.000 1.145 46 T CB 0.756 69.612 68.868 -0.020 0.000 0.982 46 T HN 0.362 nan 8.240 nan 0.000 0.544 47 L N 3.156 124.377 121.223 -0.003 0.000 2.461 47 L HA 0.355 4.695 4.340 0.001 0.000 0.272 47 L C 0.217 177.086 176.870 -0.003 0.000 1.197 47 L CA -0.473 54.367 54.840 0.001 0.000 0.836 47 L CB 0.320 42.382 42.059 0.004 0.000 1.105 47 L HN 0.331 nan 8.230 nan 0.000 0.477 48 V N 1.318 121.232 119.914 -0.001 0.000 2.864 48 V HA 0.566 4.687 4.120 0.001 0.000 0.314 48 V C -0.280 175.814 176.094 -0.001 0.000 1.073 48 V CA -0.441 61.857 62.300 -0.004 0.000 0.956 48 V CB 2.207 34.026 31.823 -0.006 0.000 1.023 48 V HN 0.825 nan 8.190 nan 0.000 0.435 49 S N 2.609 118.307 115.700 -0.003 0.000 2.546 49 S HA 0.627 5.098 4.470 0.001 0.000 0.272 49 S C -0.867 173.732 174.600 -0.003 0.000 1.140 49 S CA -0.588 57.611 58.200 -0.001 0.000 0.920 49 S CB 1.518 64.718 63.200 0.000 0.000 1.083 49 S HN 0.526 nan 8.310 nan 0.000 0.476 50 L N 1.982 123.204 121.223 -0.002 0.000 2.417 50 L HA 0.359 4.700 4.340 0.001 0.000 0.268 50 L C 1.267 178.136 176.870 -0.002 0.000 1.158 50 L CA -0.350 54.489 54.840 -0.002 0.000 0.819 50 L CB 0.649 42.707 42.059 -0.001 0.000 1.112 50 L HN 0.597 nan 8.230 nan 0.000 0.458 51 T N 1.098 115.651 114.554 -0.002 0.000 2.903 51 T HA -0.013 4.338 4.350 0.001 0.000 0.314 51 T C 1.116 175.815 174.700 -0.001 0.000 1.078 51 T CA -0.364 61.736 62.100 -0.002 0.000 1.114 51 T CB 0.299 69.166 68.868 -0.002 0.000 0.987 51 T HN 0.837 nan 8.240 nan 0.000 0.548 52 N N 2.994 121.693 118.700 -0.001 0.000 2.236 52 N HA -0.052 4.689 4.740 0.001 0.000 0.196 52 N C 0.352 175.861 175.510 -0.001 0.000 1.114 52 N CA -0.310 52.739 53.050 -0.001 0.000 0.859 52 N CB -0.311 38.175 38.487 -0.001 0.000 0.982 52 N HN 0.540 nan 8.380 nan 0.000 0.493 53 N N 2.653 121.352 118.700 -0.001 0.000 2.386 53 N HA -0.084 4.657 4.740 0.001 0.000 0.273 53 N C 1.109 176.618 175.510 -0.001 0.000 1.331 53 N CA 0.531 53.580 53.050 -0.001 0.000 0.891 53 N CB 0.841 39.327 38.487 -0.002 0.000 1.139 53 N HN 0.310 nan 8.380 nan 0.000 0.487 54 T N 0.793 115.346 114.554 -0.001 0.000 2.803 54 T HA -0.158 4.193 4.350 0.001 0.000 0.269 54 T C 1.027 175.727 174.700 -0.001 0.000 1.052 54 T CA 1.202 63.301 62.100 -0.001 0.000 1.136 54 T CB 0.018 68.885 68.868 -0.001 0.000 0.864 54 T HN 0.463 nan 8.240 nan 0.000 0.467 55 D N 1.348 121.747 120.400 -0.001 0.000 2.144 55 D HA -0.033 4.608 4.640 0.001 0.000 0.200 55 D C 2.171 178.470 176.300 -0.002 0.000 0.978 55 D CA 0.870 54.869 54.000 -0.002 0.000 0.833 55 D CB -0.089 40.710 40.800 -0.002 0.000 0.961 55 D HN 0.348 nan 8.370 nan 0.000 0.470 56 I N 1.270 121.839 120.570 -0.002 0.000 2.163 56 I HA -0.188 3.983 4.170 0.001 0.000 0.240 56 I C 2.696 178.813 176.117 -0.001 0.000 1.081 56 I CA 0.755 62.054 61.300 -0.001 0.000 1.353 56 I CB -1.162 36.837 38.000 -0.000 0.000 1.054 56 I HN 0.027 nan 8.210 nan 0.000 0.407 57 L N 0.181 121.404 121.223 -0.001 0.000 2.127 57 L HA -0.262 4.079 4.340 0.001 0.000 0.211 57 L C 2.643 179.511 176.870 -0.003 0.000 1.089 57 L CA 1.232 56.070 54.840 -0.002 0.000 0.757 57 L CB -0.622 41.435 42.059 -0.003 0.000 0.899 57 L HN 0.302 nan 8.230 nan 0.000 0.434 58 Q N 0.599 120.398 119.800 -0.002 0.000 2.050 58 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 58 Q C 2.144 178.143 176.000 -0.001 0.000 0.980 58 Q CA 2.105 57.907 55.803 -0.001 0.000 0.840 58 Q CB -0.681 28.057 28.738 -0.001 0.000 0.898 58 Q HN 0.368 nan 8.270 nan 0.000 0.424 59 G N 0.650 109.449 108.800 -0.003 0.000 2.440 59 G HA2 -0.232 3.729 3.960 0.001 0.000 0.218 59 G HA3 -0.232 3.729 3.960 0.001 0.000 0.218 59 G C 1.486 176.383 174.900 -0.005 0.000 1.154 59 G CA 1.054 46.152 45.100 -0.004 0.000 0.767 59 G HN 0.428 nan 8.290 nan 0.000 0.552 60 I N 0.147 120.714 120.570 -0.005 0.000 2.142 60 I HA -0.218 3.953 4.170 0.001 0.000 0.240 60 I C 2.839 178.949 176.117 -0.012 0.000 1.078 60 I CA 1.638 62.932 61.300 -0.010 0.000 1.343 60 I CB -0.242 37.752 38.000 -0.010 0.000 1.046 60 I HN 0.206 nan 8.210 nan 0.000 0.405 61 Q N 1.351 121.147 119.800 -0.007 0.000 2.084 61 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 61 Q C 2.134 178.138 176.000 0.007 0.000 0.978 61 Q CA 2.243 58.043 55.803 -0.004 0.000 0.844 61 Q CB -0.385 28.351 28.738 -0.003 0.000 0.898 61 Q HN 0.479 nan 8.270 nan 0.000 0.426 62 A N -0.032 122.794 122.820 0.010 0.000 1.908 62 A HA -0.221 4.100 4.320 0.001 0.000 0.218 62 A C 2.269 179.880 177.584 0.044 0.000 1.181 62 A CA 2.338 54.388 52.037 0.023 0.000 0.627 62 A CB -1.083 17.923 19.000 0.011 0.000 0.818 62 A HN 0.621 nan 8.150 nan 0.000 0.445 63 S N -1.224 114.491 115.700 0.025 0.000 2.423 63 S HA -0.155 4.316 4.470 0.001 0.000 0.231 63 S C 1.857 176.505 174.600 0.080 0.000 1.014 63 S CA 1.235 59.460 58.200 0.042 0.000 0.965 63 S CB -1.167 62.032 63.200 -0.002 0.000 0.785 63 S HN 0.579 nan 8.310 nan 0.000 0.495 64 C N 2.181 121.503 119.300 0.037 0.000 2.466 64 C HA 0.024 4.484 4.460 0.001 0.000 0.278 64 C C 2.543 177.553 174.990 0.033 0.000 1.288 64 C CA 0.504 59.534 59.018 0.020 0.000 1.722 64 C CB -1.112 26.623 27.740 -0.009 0.000 2.017 64 C HN 0.580 nan 8.230 nan 0.000 0.488 65 D N -0.284 120.142 120.400 0.042 0.000 2.144 65 D HA -0.155 4.485 4.640 0.001 0.000 0.199 65 D C 1.683 178.013 176.300 0.049 0.000 0.984 65 D CA 1.297 55.318 54.000 0.034 0.000 0.834 65 D CB -0.522 40.300 40.800 0.037 0.000 0.955 65 D HN 0.638 nan 8.370 nan 0.000 0.465 66 Y N 1.576 121.861 120.300 -0.025 0.000 2.128 66 Y HA -0.208 4.342 4.550 0.001 0.000 0.284 66 Y C 2.140 178.023 175.900 -0.028 0.000 1.154 66 Y CA 1.268 59.352 58.100 -0.027 0.000 1.149 66 Y CB -0.151 38.290 38.460 -0.031 0.000 0.976 66 Y HN -0.136 nan 8.280 nan 0.000 0.505 67 I N 0.596 121.166 120.570 -0.000 0.000 2.252 67 I HA -0.278 3.892 4.170 0.001 0.000 0.245 67 I C 1.879 177.932 176.117 -0.108 0.000 1.102 67 I CA 1.200 62.454 61.300 -0.077 0.000 1.385 67 I CB -1.455 36.553 38.000 0.013 0.000 1.064 67 I HN 0.362 nan 8.210 nan 0.000 0.414 68 N N 1.801 120.461 118.700 -0.066 0.000 2.039 68 N HA -0.198 4.543 4.740 0.001 0.000 0.193 68 N C 1.524 176.983 175.510 -0.085 0.000 1.044 68 N CA 1.536 54.550 53.050 -0.060 0.000 0.847 68 N CB -0.810 37.655 38.487 -0.036 0.000 1.030 68 N HN 0.358 nan 8.380 nan 0.000 0.422 69 N N 1.005 119.646 118.700 -0.099 0.000 2.272 69 N HA -0.056 4.685 4.740 0.001 0.000 0.185 69 N C 1.523 176.937 175.510 -0.161 0.000 1.014 69 N CA 1.068 54.053 53.050 -0.109 0.000 0.870 69 N CB -0.262 38.169 38.487 -0.094 0.000 0.975 69 N HN 0.304 nan 8.380 nan 0.000 0.433 70 A N -0.127 122.545 122.820 -0.247 0.000 2.014 70 A HA 0.005 4.326 4.320 0.001 0.000 0.218 70 A C 2.150 179.643 177.584 -0.151 0.000 1.163 70 A CA 0.847 52.719 52.037 -0.275 0.000 0.652 70 A CB -0.312 18.437 19.000 -0.419 0.000 0.808 70 A HN 0.123 nan 8.150 nan 0.000 0.449 71 V N 0.049 119.894 119.914 -0.114 0.000 2.719 71 V HA -0.153 3.968 4.120 0.001 0.000 0.252 71 V C 2.074 178.132 176.094 -0.059 0.000 1.065 71 V CA 1.738 63.995 62.300 -0.071 0.000 1.086 71 V CB -0.664 31.127 31.823 -0.054 0.000 0.700 71 V HN 0.612 nan 8.190 nan 0.000 0.467 72 E N -0.305 119.857 120.200 -0.064 0.000 2.347 72 E HA -0.074 4.277 4.350 0.001 0.000 0.196 72 E C 1.794 178.365 176.600 -0.049 0.000 1.008 72 E CA 1.064 57.435 56.400 -0.049 0.000 0.852 72 E CB 0.178 29.849 29.700 -0.048 0.000 0.783 72 E HN 0.544 nan 8.360 nan 0.000 0.505 73 S N -1.129 114.533 115.700 -0.063 0.000 3.853 73 S HA 0.563 5.034 4.470 0.001 0.000 0.186 73 S C 0.255 174.824 174.600 -0.051 0.000 0.956 73 S CA 0.059 58.226 58.200 -0.055 0.000 1.468 73 S CB 0.863 64.023 63.200 -0.066 0.000 0.854 73 S HN 0.182 nan 8.310 nan 0.000 0.807 93 S N 1.101 116.799 115.700 -0.005 0.000 3.144 93 S HA 0.849 5.320 4.470 0.001 0.000 0.325 93 S C 1.089 175.684 174.600 -0.008 0.000 1.161 93 S CA 0.273 58.469 58.200 -0.007 0.000 0.920 93 S CB 2.006 65.204 63.200 -0.003 0.000 1.340 93 S HN 0.551 nan 8.310 nan 0.000 0.681 94 R N 0.971 121.466 120.500 -0.008 0.000 2.040 94 R HA 0.361 4.701 4.340 0.001 0.000 0.209 94 R C 1.671 177.970 176.300 -0.002 0.000 1.281 94 R CA 1.331 57.425 56.100 -0.009 0.000 1.064 94 R CB -1.868 28.425 30.300 -0.012 0.000 0.950 94 R HN 0.734 nan 8.270 nan 0.000 0.462 95 E N 1.306 121.506 120.200 0.000 0.000 2.085 95 E HA -0.253 4.097 4.350 0.001 0.000 0.194 95 E C 2.255 178.862 176.600 0.012 0.000 0.994 95 E CA 1.680 58.083 56.400 0.005 0.000 0.801 95 E CB -0.054 29.650 29.700 0.006 0.000 0.743 95 E HN 0.658 nan 8.360 nan 0.000 0.453 96 Q N 0.122 119.928 119.800 0.011 0.000 2.124 96 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 96 Q C 2.178 178.191 176.000 0.021 0.000 0.977 96 Q CA 1.253 57.065 55.803 0.016 0.000 0.850 96 Q CB -0.155 28.590 28.738 0.012 0.000 0.901 96 Q HN 0.221 nan 8.270 nan 0.000 0.429 97 A N 0.363 123.191 122.820 0.014 0.000 2.014 97 A HA -0.099 4.222 4.320 0.001 0.000 0.218 97 A C 2.172 179.767 177.584 0.018 0.000 1.163 97 A CA 1.320 53.367 52.037 0.016 0.000 0.652 97 A CB -0.131 18.872 19.000 0.006 0.000 0.808 97 A HN 0.206 nan 8.150 nan 0.000 0.449 98 S N -0.323 115.386 115.700 0.015 0.000 2.406 98 S HA -0.069 4.402 4.470 0.001 0.000 0.224 98 S C 1.744 176.363 174.600 0.031 0.000 1.030 98 S CA 1.132 59.341 58.200 0.014 0.000 0.958 98 S CB -0.183 63.021 63.200 0.007 0.000 0.811 98 S HN 0.706 nan 8.310 nan 0.000 0.489 99 E N 1.152 121.376 120.200 0.040 0.000 2.118 99 E HA -0.143 4.208 4.350 0.001 0.000 0.195 99 E C 1.987 178.636 176.600 0.082 0.000 0.992 99 E CA 0.844 57.281 56.400 0.061 0.000 0.804 99 E CB -0.236 29.495 29.700 0.052 0.000 0.741 99 E HN 0.231 nan 8.360 nan 0.000 0.458 100 L N 1.080 122.345 121.223 0.070 0.000 2.017 100 L HA -0.236 4.105 4.340 0.001 0.000 0.208 100 L C 2.058 178.986 176.870 0.097 0.000 1.073 100 L CA 1.792 56.686 54.840 0.090 0.000 0.745 100 L CB -0.302 41.800 42.059 0.070 0.000 0.894 100 L HN 0.048 nan 8.230 nan 0.000 0.432 101 Q N -0.898 118.937 119.800 0.058 0.000 2.124 101 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 101 Q C 2.150 178.162 176.000 0.020 0.000 0.977 101 Q CA 2.130 57.951 55.803 0.030 0.000 0.850 101 Q CB -0.852 27.887 28.738 0.001 0.000 0.901 101 Q HN 0.554 nan 8.270 nan 0.000 0.429 102 T N 1.350 115.930 114.554 0.043 0.000 2.777 102 T HA -0.123 4.228 4.350 0.001 0.000 0.266 102 T C 1.697 176.487 174.700 0.150 0.000 1.040 102 T CA 1.436 63.569 62.100 0.054 0.000 1.141 102 T CB -0.308 68.618 68.868 0.097 0.000 0.868 102 T HN 0.301 nan 8.240 nan 0.000 0.444 103 N N 0.765 119.600 118.700 0.224 0.000 2.289 103 N HA -0.046 4.694 4.740 0.001 0.000 0.184 103 N C 1.651 177.343 175.510 0.305 0.000 1.016 103 N CA 0.413 53.672 53.050 0.348 0.000 0.872 103 N CB -0.398 38.263 38.487 0.291 0.000 0.973 103 N HN 0.145 nan 8.380 nan 0.000 0.433 104 L N -0.002 121.304 121.223 0.137 0.000 2.042 104 L HA -0.108 4.233 4.340 0.001 0.000 0.210 104 L C 1.939 178.577 176.870 -0.386 0.000 1.076 104 L CA 1.372 56.124 54.840 -0.147 0.000 0.749 104 L CB -0.670 41.347 42.059 -0.070 0.000 0.893 104 L HN 0.055 nan 8.230 nan 0.000 0.432 105 V N -1.697 118.090 119.914 -0.212 0.000 2.392 105 V HA -0.322 3.799 4.120 0.001 0.000 0.249 105 V C 2.185 178.147 176.094 -0.220 0.000 1.059 105 V CA 2.148 64.284 62.300 -0.273 0.000 1.051 105 V CB -1.020 30.581 31.823 -0.370 0.000 0.658 105 V HN 0.550 nan 8.190 nan 0.000 0.455 106 W N 0.306 121.583 121.300 -0.038 0.000 2.378 106 W HA -0.135 4.526 4.660 0.000 0.000 0.313 106 W C 2.418 178.956 176.519 0.031 0.000 1.197 106 W CA 1.377 58.742 57.345 0.034 0.000 1.304 106 W CB -0.531 28.984 29.460 0.091 0.000 1.148 106 W HN 0.422 nan 8.180 nan 0.000 0.494 107 F N -1.200 118.911 119.950 0.268 0.000 2.604 107 F HA 0.131 4.658 4.527 0.001 0.000 0.298 107 F C 1.328 177.195 175.800 0.112 0.000 1.131 107 F CA 0.957 59.053 58.000 0.160 0.000 1.457 107 F CB -0.978 38.088 39.000 0.110 0.000 1.095 107 F HN -0.185 nan 8.300 nan 0.000 0.574 108 L N 0.677 121.695 121.223 -0.342 0.000 2.592 108 L HA 0.132 4.473 4.340 0.001 0.000 0.227 108 L C 1.248 178.091 176.870 -0.045 0.000 1.127 108 L CA 0.172 54.872 54.840 -0.234 0.000 0.884 108 L CB -0.289 41.536 42.059 -0.390 0.000 1.065 108 L HN 0.051 nan 8.230 nan 0.000 0.457 109 K N 1.533 121.897 120.400 -0.061 0.000 2.737 109 K HA 0.031 4.352 4.320 0.001 0.000 0.251 109 K C 0.472 177.138 176.600 0.110 0.000 1.280 109 K CA 0.104 56.296 56.287 -0.159 0.000 1.219 109 K CB -0.205 32.109 32.500 -0.309 0.000 1.587 109 K HN 0.111 nan 8.250 nan 0.000 0.279 110 T N -2.046 112.641 114.554 0.222 0.000 3.380 110 T HA 0.254 4.605 4.350 0.001 0.000 0.289 110 T C 0.633 175.421 174.700 0.147 0.000 1.012 110 T CA -0.713 61.489 62.100 0.172 0.000 0.944 110 T CB 0.781 69.728 68.868 0.132 0.000 1.172 110 T HN 0.228 nan 8.240 nan 0.000 0.502 111 G N 0.699 109.652 108.800 0.256 0.000 2.606 111 G HA2 0.639 4.600 3.960 0.001 0.000 0.252 111 G HA3 0.639 4.600 3.960 0.001 0.000 0.252 111 G C -0.306 174.233 174.900 -0.603 0.000 1.206 111 G CA -0.212 44.874 45.100 -0.024 0.000 0.861 111 G HN 0.976 nan 8.290 nan 0.000 0.561 112 A N -1.242 121.242 122.820 -0.559 0.000 2.610 112 A HA 1.000 5.320 4.320 0.001 0.000 0.291 112 A C 0.296 177.718 177.584 -0.269 0.000 1.086 112 A CA 0.502 52.221 52.037 -0.530 0.000 0.677 112 A CB 1.016 19.979 19.000 -0.061 0.000 1.278 112 A HN 2.734 nan 8.150 nan 0.000 0.414 113 G N 0.477 109.176 108.800 -0.168 0.000 2.587 113 G HA2 -0.037 3.924 3.960 0.001 0.000 0.212 113 G HA3 -0.037 3.924 3.960 0.001 0.000 0.212 113 G C -0.545 174.278 174.900 -0.128 0.000 1.327 113 G CA -0.248 44.681 45.100 -0.284 0.000 0.898 113 G HN 1.202 nan 8.290 nan 0.000 0.551 114 N N 0.897 119.466 118.700 -0.219 0.000 2.399 114 N HA 0.321 5.062 4.740 0.001 0.000 0.250 114 N C 0.438 175.884 175.510 -0.107 0.000 1.272 114 N CA -0.103 52.879 53.050 -0.114 0.000 0.928 114 N CB 0.420 38.832 38.487 -0.125 0.000 1.158 114 N HN 0.503 nan 8.380 nan 0.000 0.463 115 K N 1.026 121.339 120.400 -0.145 0.000 2.154 115 K HA 0.316 4.637 4.320 0.001 0.000 0.264 115 K C 0.412 176.921 176.600 -0.152 0.000 1.008 115 K CA -0.401 55.758 56.287 -0.214 0.000 0.937 115 K CB 0.727 33.024 32.500 -0.338 0.000 1.002 115 K HN 0.389 nan 8.250 nan 0.000 0.469 116 L N 2.707 123.856 121.223 -0.123 0.000 2.453 116 L HA 0.193 4.534 4.340 0.001 0.000 0.261 116 L C -1.826 175.003 176.870 -0.068 0.000 1.179 116 L CA -1.877 52.913 54.840 -0.083 0.000 0.813 116 L CB 0.130 42.163 42.059 -0.042 0.000 1.110 116 L HN 0.290 nan 8.230 nan 0.000 0.466 117 P HA 0.085 nan 4.420 nan 0.000 0.271 117 P C 0.771 178.064 177.300 -0.012 0.000 1.216 117 P CA -0.289 62.791 63.100 -0.033 0.000 0.776 117 P CB 0.635 32.319 31.700 -0.027 0.000 0.881 118 L N 1.875 123.101 121.223 0.004 0.000 2.043 118 L HA -0.300 4.040 4.340 0.001 0.000 0.212 118 L C 2.306 179.183 176.870 0.012 0.000 1.075 118 L CA 2.114 56.968 54.840 0.023 0.000 0.752 118 L CB -1.033 41.046 42.059 0.033 0.000 0.891 118 L HN 0.468 nan 8.230 nan 0.000 0.432 119 A N -0.073 122.748 122.820 0.002 0.000 1.908 119 A HA -0.252 4.069 4.320 0.001 0.000 0.218 119 A C 1.911 179.490 177.584 -0.008 0.000 1.181 119 A CA 2.151 54.184 52.037 -0.007 0.000 0.627 119 A CB -0.510 18.483 19.000 -0.010 0.000 0.818 119 A HN 0.418 nan 8.150 nan 0.000 0.445 120 D N -0.446 119.950 120.400 -0.007 0.000 2.183 120 D HA -0.060 4.580 4.640 0.001 0.000 0.203 120 D C 2.018 178.325 176.300 0.011 0.000 0.969 120 D CA 1.264 55.260 54.000 -0.006 0.000 0.842 120 D CB -0.292 40.496 40.800 -0.019 0.000 0.957 120 D HN 0.269 nan 8.370 nan 0.000 0.484 121 V N 1.052 120.977 119.914 0.019 0.000 2.453 121 V HA -0.165 3.956 4.120 0.001 0.000 0.247 121 V C 2.454 178.565 176.094 0.029 0.000 1.048 121 V CA 1.277 63.599 62.300 0.037 0.000 1.049 121 V CB -0.322 31.531 31.823 0.051 0.000 0.672 121 V HN 0.089 nan 8.190 nan 0.000 0.457 122 R N 0.265 120.776 120.500 0.017 0.000 2.081 122 R HA -0.096 4.245 4.340 0.001 0.000 0.235 122 R C 2.459 178.757 176.300 -0.004 0.000 1.131 122 R CA 1.447 57.553 56.100 0.009 0.000 0.960 122 R CB -0.579 29.721 30.300 -0.000 0.000 0.856 122 R HN 0.524 nan 8.270 nan 0.000 0.436 123 A N 1.256 124.070 122.820 -0.010 0.000 1.902 123 A HA -0.129 4.192 4.320 0.001 0.000 0.217 123 A C 2.367 179.944 177.584 -0.011 0.000 1.181 123 A CA 1.701 53.727 52.037 -0.018 0.000 0.623 123 A CB -0.640 18.348 19.000 -0.020 0.000 0.818 123 A HN 0.403 nan 8.150 nan 0.000 0.443 124 A N -0.443 122.380 122.820 0.004 0.000 1.877 124 A HA -0.152 4.169 4.320 0.001 0.000 0.216 124 A C 2.286 179.860 177.584 -0.017 0.000 1.186 124 A CA 1.889 53.931 52.037 0.009 0.000 0.620 124 A CB -0.563 18.460 19.000 0.039 0.000 0.822 124 A HN 0.534 nan 8.150 nan 0.000 0.443 125 M N -1.320 118.273 119.600 -0.013 0.000 2.117 125 M HA -0.125 4.356 4.480 0.001 0.000 0.262 125 M C 2.247 178.515 176.300 -0.052 0.000 1.065 125 M CA 1.529 56.810 55.300 -0.033 0.000 1.114 125 M CB -0.503 32.093 32.600 -0.006 0.000 1.361 125 M HN 0.475 nan 8.290 nan 0.000 0.408 126 L N 0.944 122.144 121.223 -0.037 0.000 2.042 126 L HA -0.181 4.160 4.340 0.001 0.000 0.210 126 L C 2.066 178.900 176.870 -0.060 0.000 1.076 126 L CA 1.846 56.660 54.840 -0.043 0.000 0.749 126 L CB -0.571 41.467 42.059 -0.035 0.000 0.893 126 L HN 0.259 nan 8.230 nan 0.000 0.432 127 L N -1.116 120.071 121.223 -0.059 0.000 2.109 127 L HA -0.145 4.196 4.340 0.001 0.000 0.207 127 L C 2.735 179.531 176.870 -0.123 0.000 1.086 127 L CA 1.035 55.833 54.840 -0.070 0.000 0.760 127 L CB -0.654 41.378 42.059 -0.044 0.000 0.910 127 L HN 0.289 nan 8.230 nan 0.000 0.437 128 R N 1.193 121.598 120.500 -0.158 0.000 2.073 128 R HA -0.118 4.223 4.340 0.001 0.000 0.234 128 R C 2.219 178.225 176.300 -0.490 0.000 1.134 128 R CA 1.928 57.842 56.100 -0.310 0.000 0.952 128 R CB -0.827 29.323 30.300 -0.250 0.000 0.850 128 R HN 0.275 nan 8.270 nan 0.000 0.433 129 A N 0.356 123.011 122.820 -0.274 0.000 1.902 129 A HA -0.198 4.123 4.320 0.001 0.000 0.217 129 A C 2.091 179.612 177.584 -0.105 0.000 1.181 129 A CA 1.848 53.789 52.037 -0.160 0.000 0.623 129 A CB -0.934 18.026 19.000 -0.066 0.000 0.818 129 A HN 0.559 nan 8.150 nan 0.000 0.443 130 N N -0.097 118.544 118.700 -0.099 0.000 2.104 130 N HA -0.156 4.585 4.740 0.001 0.000 0.190 130 N C 1.947 177.425 175.510 -0.053 0.000 1.024 130 N CA 1.899 54.914 53.050 -0.059 0.000 0.853 130 N CB -0.305 38.150 38.487 -0.054 0.000 1.008 130 N HN 0.357 nan 8.380 nan 0.000 0.424 131 S N -1.047 114.592 115.700 -0.102 0.000 2.368 131 S HA -0.141 4.330 4.470 0.001 0.000 0.225 131 S C 1.675 176.294 174.600 0.032 0.000 1.030 131 S CA 1.263 59.425 58.200 -0.064 0.000 0.999 131 S CB -0.533 62.598 63.200 -0.114 0.000 0.844 131 S HN 0.568 nan 8.310 nan 0.000 0.459 132 H N 0.012 119.071 119.070 -0.019 0.000 2.387 132 H HA -0.001 4.556 4.556 0.001 0.000 0.299 132 H C 2.051 177.367 175.328 -0.020 0.000 1.090 132 H CA 1.345 57.381 56.048 -0.021 0.000 1.332 132 H CB -0.062 29.682 29.762 -0.029 0.000 1.386 132 H HN 0.351 nan 8.280 nan 0.000 0.516 133 M N 0.455 120.118 119.600 0.105 0.000 2.435 133 M HA -0.137 4.344 4.480 0.001 0.000 0.262 133 M C 1.565 177.883 176.300 0.030 0.000 1.065 133 M CA 1.004 56.333 55.300 0.048 0.000 1.076 133 M CB -0.503 32.111 32.600 0.023 0.000 1.403 133 M HN 0.231 nan 8.290 nan 0.000 0.454 134 R N 0.073 120.593 120.500 0.033 0.000 2.285 134 R HA 0.052 4.393 4.340 0.001 0.000 0.213 134 R C 1.355 177.662 176.300 0.012 0.000 1.068 134 R CA 0.840 56.950 56.100 0.017 0.000 1.004 134 R CB -0.848 29.461 30.300 0.015 0.000 0.873 134 R HN 0.590 nan 8.270 nan 0.000 0.467 135 G N -0.277 108.534 108.800 0.018 0.000 2.160 135 G HA2 -0.314 3.646 3.960 0.001 0.000 0.251 135 G HA3 -0.314 3.646 3.960 0.001 0.000 0.251 135 G C 0.587 175.483 174.900 -0.006 0.000 1.008 135 G CA 0.486 45.587 45.100 0.003 0.000 0.724 135 G HN 0.519 nan 8.290 nan 0.000 0.514 136 A N -0.809 122.013 122.820 0.003 0.000 2.508 136 A HA 0.726 5.047 4.320 0.001 0.000 0.257 136 A C 1.827 179.410 177.584 -0.001 0.000 1.226 136 A CA 1.444 53.477 52.037 -0.007 0.000 0.947 136 A CB 0.253 19.254 19.000 0.003 0.000 1.079 136 A HN 0.688 nan 8.150 nan 0.000 0.531 137 S N -0.952 114.749 115.700 0.001 0.000 2.502 137 S HA 0.353 4.824 4.470 0.001 0.000 0.215 137 S C 1.319 175.891 174.600 -0.048 0.000 1.009 137 S CA 0.519 58.711 58.200 -0.012 0.000 0.908 137 S CB 0.278 63.479 63.200 0.003 0.000 0.801 137 S HN 1.602 nan 8.310 nan 0.000 0.505 138 G N 2.154 110.928 108.800 -0.044 0.000 2.272 138 G HA2 -0.256 3.705 3.960 0.001 0.000 0.280 138 G HA3 -0.256 3.705 3.960 0.001 0.000 0.280 138 G C -0.186 174.663 174.900 -0.084 0.000 1.067 138 G CA 0.357 45.438 45.100 -0.032 0.000 0.902 138 G HN 0.556 nan 8.290 nan 0.000 0.500 139 I N -0.641 119.838 120.570 -0.151 0.000 2.474 139 I HA 0.574 4.745 4.170 0.001 0.000 0.294 139 I C 0.679 176.704 176.117 -0.154 0.000 1.005 139 I CA -1.607 59.567 61.300 -0.211 0.000 1.113 139 I CB 0.921 38.647 38.000 -0.457 0.000 1.289 139 I HN 0.169 nan 8.210 nan 0.000 0.436 140 R N 5.010 125.439 120.500 -0.119 0.000 2.570 140 R HA -0.006 4.335 4.340 0.001 0.000 0.277 140 R C 0.938 177.191 176.300 -0.077 0.000 1.039 140 R CA -0.269 55.781 56.100 -0.082 0.000 1.065 140 R CB 0.503 30.762 30.300 -0.070 0.000 0.964 140 R HN 0.602 nan 8.270 nan 0.000 0.428 141 L N 3.489 124.681 121.223 -0.052 0.000 2.129 141 L HA -0.228 4.113 4.340 0.001 0.000 0.212 141 L C 2.014 178.861 176.870 -0.039 0.000 1.087 141 L CA 1.989 56.808 54.840 -0.036 0.000 0.757 141 L CB -0.489 41.556 42.059 -0.024 0.000 0.896 141 L HN 0.743 nan 8.230 nan 0.000 0.434 142 E N -1.062 119.111 120.200 -0.045 0.000 2.153 142 E HA -0.254 4.097 4.350 0.001 0.000 0.194 142 E C 2.062 178.621 176.600 -0.068 0.000 0.988 142 E CA 1.230 57.600 56.400 -0.049 0.000 0.811 142 E CB -0.148 29.524 29.700 -0.046 0.000 0.746 142 E HN 0.484 nan 8.360 nan 0.000 0.466 143 L N 0.684 121.859 121.223 -0.080 0.000 2.209 143 L HA 0.031 4.372 4.340 0.001 0.000 0.207 143 L C 1.954 178.778 176.870 -0.076 0.000 1.094 143 L CA 1.187 55.966 54.840 -0.101 0.000 0.790 143 L CB -0.147 41.844 42.059 -0.114 0.000 0.932 143 L HN 0.222 nan 8.230 nan 0.000 0.447 144 I N -0.637 119.914 120.570 -0.031 0.000 2.315 144 I HA -0.247 3.923 4.170 0.001 0.000 0.248 144 I C 2.339 178.442 176.117 -0.022 0.000 1.117 144 I CA 1.024 62.341 61.300 0.029 0.000 1.404 144 I CB -0.371 37.663 38.000 0.057 0.000 1.071 144 I HN 0.187 nan 8.210 nan 0.000 0.419 145 K N 1.538 121.917 120.400 -0.036 0.000 2.147 145 K HA -0.200 4.120 4.320 0.001 0.000 0.205 145 K C 2.141 178.704 176.600 -0.061 0.000 1.049 145 K CA 1.247 57.512 56.287 -0.036 0.000 0.936 145 K CB -0.179 32.304 32.500 -0.028 0.000 0.722 145 K HN -0.054 nan 8.250 nan 0.000 0.446 146 R N 0.273 120.704 120.500 -0.115 0.000 2.105 146 R HA 0.012 4.352 4.340 0.001 0.000 0.239 146 R C 1.954 178.079 176.300 -0.292 0.000 1.135 146 R CA 1.928 57.899 56.100 -0.215 0.000 0.967 146 R CB -0.305 29.806 30.300 -0.316 0.000 0.861 146 R HN 0.327 nan 8.270 nan 0.000 0.442 147 M N -0.287 119.178 119.600 -0.224 0.000 2.200 147 M HA -0.095 4.385 4.480 0.001 0.000 0.265 147 M C 2.171 178.450 176.300 -0.035 0.000 1.066 147 M CA 1.761 56.963 55.300 -0.164 0.000 1.127 147 M CB -0.300 32.230 32.600 -0.117 0.000 1.379 147 M HN 0.281 nan 8.290 nan 0.000 0.420 148 E N 1.419 121.603 120.200 -0.026 0.000 2.051 148 E HA -0.210 4.141 4.350 0.001 0.000 0.192 148 E C 1.854 178.477 176.600 0.038 0.000 0.991 148 E CA 1.401 57.804 56.400 0.005 0.000 0.799 148 E CB -0.088 29.611 29.700 -0.001 0.000 0.748 148 E HN 0.505 nan 8.360 nan 0.000 0.449 149 I N 0.199 120.801 120.570 0.054 0.000 2.179 149 I HA -0.271 3.900 4.170 0.001 0.000 0.242 149 I C 2.334 178.555 176.117 0.174 0.000 1.088 149 I CA 1.215 62.576 61.300 0.102 0.000 1.357 149 I CB -0.397 37.673 38.000 0.116 0.000 1.051 149 I HN 0.167 nan 8.210 nan 0.000 0.409 150 F N 0.664 120.551 119.950 -0.105 0.000 2.095 150 F HA -0.266 4.262 4.527 0.001 0.000 0.298 150 F C 2.456 178.184 175.800 -0.121 0.000 1.104 150 F CA 0.976 58.886 58.000 -0.150 0.000 1.232 150 F CB -0.202 38.714 39.000 -0.141 0.000 0.987 150 F HN -0.002 nan 8.300 nan 0.000 0.475 151 L N -0.169 121.128 121.223 0.122 0.000 2.017 151 L HA -0.271 4.069 4.340 0.001 0.000 0.208 151 L C 2.048 178.930 176.870 0.019 0.000 1.073 151 L CA 1.171 56.038 54.840 0.045 0.000 0.745 151 L CB -0.640 41.437 42.059 0.030 0.000 0.894 151 L HN 0.150 nan 8.230 nan 0.000 0.432 152 N N -0.043 118.673 118.700 0.026 0.000 2.270 152 N HA -0.075 4.666 4.740 0.001 0.000 0.181 152 N C 1.717 177.240 175.510 0.021 0.000 1.016 152 N CA 1.304 54.367 53.050 0.021 0.000 0.870 152 N CB -0.157 38.345 38.487 0.025 0.000 0.979 152 N HN 0.282 nan 8.380 nan 0.000 0.431 153 A N -0.020 122.800 122.820 -0.000 0.000 2.123 153 A HA 0.353 4.674 4.320 0.001 0.000 0.214 153 A C 1.415 179.001 177.584 0.002 0.000 1.152 153 A CA 0.992 53.029 52.037 0.001 0.000 0.728 153 A CB -0.328 18.613 19.000 -0.098 0.000 0.814 153 A HN 0.306 nan 8.150 nan 0.000 0.464 154 G N -1.376 107.385 108.800 -0.065 0.000 2.165 154 G HA2 -0.129 3.832 3.960 0.001 0.000 0.226 154 G HA3 -0.129 3.832 3.960 0.001 0.000 0.226 154 G C -0.095 174.698 174.900 -0.177 0.000 1.035 154 G CA 0.028 45.104 45.100 -0.040 0.000 0.744 154 G HN 0.839 nan 8.290 nan 0.000 0.501 155 V N 1.243 120.900 119.914 -0.429 0.000 2.350 155 V HA 0.644 4.765 4.120 0.001 0.000 0.276 155 V C 0.400 176.273 176.094 -0.368 0.000 1.028 155 V CA 0.048 61.935 62.300 -0.688 0.000 0.860 155 V CB 1.579 32.560 31.823 -1.403 0.000 0.990 155 V HN 0.343 nan 8.190 nan 0.000 0.453 156 T N 7.691 122.114 114.554 -0.220 0.000 2.833 156 T HA 0.405 4.756 4.350 0.001 0.000 0.297 156 T C -2.684 171.980 174.700 -0.060 0.000 1.015 156 T CA -1.362 60.700 62.100 -0.063 0.000 0.963 156 T CB 1.772 70.642 68.868 0.003 0.000 0.955 156 T HN 0.349 nan 8.240 nan 0.000 0.449 157 P HA 0.136 nan 4.420 nan 0.000 0.269 157 P C -0.682 176.681 177.300 0.105 0.000 1.209 157 P CA -0.444 62.673 63.100 0.030 0.000 0.776 157 P CB 0.285 32.069 31.700 0.140 0.000 0.876 158 Y N 1.059 121.362 120.300 0.006 0.000 2.377 158 Y HA 0.314 4.867 4.550 0.004 0.000 0.330 158 Y C 0.628 176.411 175.900 -0.195 0.000 1.108 158 Y CA -0.446 57.586 58.100 -0.114 0.000 1.308 158 Y CB 0.222 38.580 38.460 -0.169 0.000 1.216 158 Y HN 0.015 nan 8.280 nan 0.000 0.518 159 V N 4.629 124.470 119.914 -0.122 0.000 2.709 159 V HA 0.323 4.444 4.120 0.001 0.000 0.308 159 V C -0.961 174.942 176.094 -0.318 0.000 1.062 159 V CA -1.463 60.678 62.300 -0.266 0.000 0.901 159 V CB 1.560 33.361 31.823 -0.037 0.000 1.003 159 V HN 0.456 nan 8.190 nan 0.000 0.425 160 Y N 2.122 122.224 120.300 -0.330 0.000 2.301 160 Y HA 0.217 4.768 4.550 0.001 0.000 0.325 160 Y C 1.689 177.536 175.900 -0.088 0.000 1.203 160 Y CA -0.350 57.603 58.100 -0.245 0.000 1.255 160 Y CB 0.930 39.219 38.460 -0.284 0.000 1.232 160 Y HN 0.856 nan 8.280 nan 0.000 0.501 161 E N 1.157 121.351 120.200 -0.011 0.000 2.274 161 E HA -0.036 4.315 4.350 0.001 0.000 0.194 161 E C -0.627 176.106 176.600 0.221 0.000 0.996 161 E CA 0.734 57.109 56.400 -0.041 0.000 0.840 161 E CB -0.002 29.480 29.700 -0.363 0.000 0.772 161 E HN 0.452 nan 8.360 nan 0.000 0.491 162 F N -0.532 119.551 119.950 0.223 0.000 2.450 162 F HA 0.566 5.091 4.527 -0.003 0.000 0.332 162 F C 1.168 177.011 175.800 0.072 0.000 1.093 162 F CA -0.400 57.690 58.000 0.150 0.000 1.003 162 F CB 2.357 41.389 39.000 0.053 0.000 1.151 162 F HN 0.081 nan 8.300 nan 0.000 0.474 163 G N 0.884 109.821 108.800 0.228 0.000 2.977 163 G HA2 -0.132 3.829 3.960 0.001 0.000 0.211 163 G HA3 -0.132 3.829 3.960 0.001 0.000 0.211 163 G C -0.415 174.449 174.900 -0.059 0.000 0.994 163 G CA -0.061 45.075 45.100 0.060 0.000 0.795 163 G HN 0.707 nan 8.290 nan 0.000 0.518 164 S N 0.372 115.974 115.700 -0.164 0.000 2.500 164 S HA 0.647 5.117 4.470 0.001 0.000 0.301 164 S C 1.030 175.627 174.600 -0.006 0.000 1.092 164 S CA -0.307 57.770 58.200 -0.205 0.000 1.030 164 S CB 1.018 63.865 63.200 -0.589 0.000 1.031 164 S HN 0.928 nan 8.310 nan 0.000 0.483 165 I N 2.028 122.601 120.570 0.005 0.000 3.928 165 I HA 0.556 4.727 4.170 0.001 0.000 0.335 165 I C 0.913 177.063 176.117 0.055 0.000 1.325 165 I CA -0.209 61.118 61.300 0.045 0.000 1.107 165 I CB -0.823 37.187 38.000 0.016 0.000 1.014 165 I HN 0.846 nan 8.210 nan 0.000 0.400 171 L N -0.209 120.963 121.223 -0.084 0.000 1.976 171 L HA -0.251 4.090 4.340 0.001 0.000 0.223 171 L C 2.415 179.253 176.870 -0.054 0.000 1.081 171 L CA 1.642 56.436 54.840 -0.077 0.000 0.784 171 L CB -0.630 41.378 42.059 -0.086 0.000 0.896 171 L HN 0.092 nan 8.230 nan 0.000 0.438 172 V N -0.306 119.583 119.914 -0.042 0.000 2.233 172 V HA -0.208 3.913 4.120 0.001 0.000 0.247 172 V C -0.109 176.087 176.094 0.171 0.000 1.050 172 V CA 2.381 64.715 62.300 0.057 0.000 1.010 172 V CB -1.624 30.234 31.823 0.059 0.000 0.637 172 V HN 0.328 nan 8.190 nan 0.000 0.444 173 P HA -0.124 nan 4.420 nan 0.000 0.215 173 P C 1.933 179.323 177.300 0.150 0.000 1.153 173 P CA 1.399 64.536 63.100 0.061 0.000 0.853 173 P CB -0.075 31.571 31.700 -0.090 0.000 0.788 174 L N -0.548 120.716 121.223 0.068 0.000 2.191 174 L HA -0.144 4.197 4.340 0.001 0.000 0.212 174 L C 2.471 179.371 176.870 0.050 0.000 1.103 174 L CA 1.726 56.597 54.840 0.051 0.000 0.769 174 L CB -1.017 41.047 42.059 0.008 0.000 0.908 174 L HN 0.135 nan 8.230 nan 0.000 0.438 175 S N -1.135 114.603 115.700 0.064 0.000 2.402 175 S HA -0.200 4.271 4.470 0.001 0.000 0.229 175 S C 1.899 176.523 174.600 0.041 0.000 1.021 175 S CA 0.759 58.949 58.200 -0.018 0.000 0.974 175 S CB -0.627 62.523 63.200 -0.083 0.000 0.800 175 S HN 0.410 nan 8.310 nan 0.000 0.484 176 Y N 1.538 121.907 120.300 0.116 0.000 2.242 176 Y HA 0.138 4.689 4.550 0.002 0.000 0.291 176 Y C 2.302 178.274 175.900 0.120 0.000 1.137 176 Y CA 1.131 59.371 58.100 0.235 0.000 1.181 176 Y CB -0.325 38.231 38.460 0.159 0.000 0.989 176 Y HN 0.244 nan 8.280 nan 0.000 0.527 177 I N -0.984 119.698 120.570 0.186 0.000 2.202 177 I HA -0.280 3.890 4.170 0.001 0.000 0.242 177 I C 2.195 178.270 176.117 -0.069 0.000 1.091 177 I CA 1.473 62.814 61.300 0.069 0.000 1.368 177 I CB -0.611 37.416 38.000 0.044 0.000 1.058 177 I HN 0.163 nan 8.210 nan 0.000 0.410 178 T N 0.583 115.068 114.554 -0.114 0.000 2.622 178 T HA -0.159 4.191 4.350 0.001 0.000 0.266 178 T C 1.952 176.425 174.700 -0.379 0.000 1.047 178 T CA 1.703 63.674 62.100 -0.216 0.000 1.159 178 T CB -0.890 67.864 68.868 -0.191 0.000 0.863 178 T HN 0.573 nan 8.240 nan 0.000 0.422 179 G N 0.786 109.224 108.800 -0.604 0.000 2.450 179 G HA2 -0.203 3.757 3.960 0.001 0.000 0.220 179 G HA3 -0.203 3.757 3.960 0.001 0.000 0.220 179 G C 1.873 176.190 174.900 -0.970 0.000 1.130 179 G CA 1.199 45.518 45.100 -1.302 0.000 0.760 179 G HN 0.503 nan 8.290 nan 0.000 0.557 180 S N 0.225 115.656 115.700 -0.449 0.000 2.371 180 S HA 0.065 4.536 4.470 0.001 0.000 0.224 180 S C 2.284 176.876 174.600 -0.013 0.000 1.029 180 S CA 0.526 58.671 58.200 -0.092 0.000 0.978 180 S CB -0.173 63.103 63.200 0.127 0.000 0.833 180 S HN 0.310 nan 8.310 nan 0.000 0.466 181 L N 1.551 122.653 121.223 -0.201 0.000 2.046 181 L HA -0.047 4.294 4.340 0.001 0.000 0.208 181 L C 2.213 178.912 176.870 -0.284 0.000 1.077 181 L CA 1.188 55.745 54.840 -0.472 0.000 0.747 181 L CB -0.577 41.151 42.059 -0.552 0.000 0.896 181 L HN 0.429 nan 8.230 nan 0.000 0.432 182 I N -3.246 117.166 120.570 -0.262 0.000 3.578 182 I HA 0.288 4.459 4.170 0.001 0.000 0.295 182 I C 1.220 177.238 176.117 -0.166 0.000 1.280 182 I CA 0.484 61.659 61.300 -0.208 0.000 1.347 182 I CB -0.486 37.375 38.000 -0.231 0.000 1.051 182 I HN 0.231 nan 8.210 nan 0.000 0.460 183 G N 2.712 111.410 108.800 -0.169 0.000 2.295 183 G HA2 -0.301 3.660 3.960 0.001 0.000 0.287 183 G HA3 -0.301 3.660 3.960 0.001 0.000 0.287 183 G C 0.515 175.337 174.900 -0.130 0.000 1.055 183 G CA 0.577 45.614 45.100 -0.106 0.000 0.922 183 G HN 0.499 nan 8.290 nan 0.000 0.503 184 L N -0.274 120.774 121.223 -0.292 0.000 2.042 184 L HA 0.286 4.627 4.340 0.001 0.000 0.210 184 L C 0.938 177.800 176.870 -0.013 0.000 1.076 184 L CA 2.746 57.439 54.840 -0.246 0.000 0.749 184 L CB -0.022 41.691 42.059 -0.578 0.000 0.893 184 L HN 0.636 nan 8.230 nan 0.000 0.432 185 D N -4.172 116.280 120.400 0.087 0.000 2.683 185 D HA 0.242 4.883 4.640 0.001 0.000 0.246 185 D C -2.453 174.006 176.300 0.265 0.000 1.238 185 D CA -0.976 53.178 54.000 0.256 0.000 0.759 185 D CB 1.389 42.438 40.800 0.416 0.000 1.349 185 D HN -0.325 nan 8.370 nan 0.000 0.426 186 P HA -0.045 nan 4.420 nan 0.000 0.228 186 P C 0.905 178.284 177.300 0.133 0.000 1.151 186 P CA 0.892 64.079 63.100 0.144 0.000 0.770 186 P CB 0.075 31.843 31.700 0.113 0.000 0.786 187 S N -1.791 113.988 115.700 0.131 0.000 2.447 187 S HA -0.079 4.392 4.470 0.001 0.000 0.233 187 S C 0.554 175.079 174.600 -0.125 0.000 1.006 187 S CA 0.425 58.623 58.200 -0.003 0.000 0.957 187 S CB -1.177 61.992 63.200 -0.052 0.000 0.773 187 S HN -0.030 nan 8.310 nan 0.000 0.507 188 F N 3.109 123.047 119.950 -0.020 0.000 2.421 188 F HA 0.478 5.006 4.527 0.002 0.000 0.358 188 F C 0.747 176.530 175.800 -0.028 0.000 1.115 188 F CA -0.581 57.399 58.000 -0.033 0.000 1.160 188 F CB 0.698 39.635 39.000 -0.104 0.000 1.123 188 F HN -0.153 nan 8.300 nan 0.000 0.508 189 K N 3.413 123.868 120.400 0.091 0.000 2.123 189 K HA 0.781 5.102 4.320 0.001 0.000 0.259 189 K C -0.417 175.927 176.600 -0.426 0.000 0.960 189 K CA -0.727 55.495 56.287 -0.108 0.000 0.872 189 K CB 2.242 34.736 32.500 -0.010 0.000 1.079 189 K HN 0.456 nan 8.250 nan 0.000 0.440 190 V N -2.622 116.930 119.914 -0.603 0.000 3.160 190 V HA 0.512 4.633 4.120 0.001 0.000 0.310 190 V C -0.921 174.755 176.094 -0.696 0.000 1.181 190 V CA -1.002 60.898 62.300 -0.666 0.000 1.047 190 V CB 2.397 34.006 31.823 -0.356 0.000 1.068 190 V HN 0.771 nan 8.190 nan 0.000 0.441 191 D N 1.182 121.331 120.400 -0.417 0.000 2.303 191 D HA 0.332 4.972 4.640 0.001 0.000 0.236 191 D C -1.575 174.707 176.300 -0.031 0.000 1.068 191 D CA -0.348 53.594 54.000 -0.096 0.000 0.830 191 D CB 1.698 42.572 40.800 0.122 0.000 1.109 191 D HN 0.690 nan 8.370 nan 0.000 0.496 192 F N 5.035 124.908 119.950 -0.128 0.000 2.310 192 F HA 0.185 4.712 4.527 0.001 0.000 0.365 192 F C 0.325 176.078 175.800 -0.078 0.000 1.080 192 F CA -0.870 57.051 58.000 -0.132 0.000 1.187 192 F CB -0.002 38.910 39.000 -0.147 0.000 1.465 192 F HN 0.387 nan 8.300 nan 0.000 0.496 193 N N 3.541 122.410 118.700 0.282 0.000 2.735 193 N HA -0.215 4.526 4.740 0.001 0.000 0.248 193 N C 0.627 176.179 175.510 0.069 0.000 1.083 193 N CA 1.281 54.417 53.050 0.145 0.000 0.703 193 N CB -1.143 37.421 38.487 0.127 0.000 1.005 193 N HN 1.028 nan 8.380 nan 0.000 0.550 194 G N -1.304 107.541 108.800 0.075 0.000 3.465 194 G HA2 -0.179 3.781 3.960 0.001 0.000 0.196 194 G HA3 -0.179 3.781 3.960 0.001 0.000 0.196 194 G C -0.125 174.811 174.900 0.060 0.000 1.170 194 G CA 0.224 45.355 45.100 0.051 0.000 0.887 194 G HN 0.423 nan 8.290 nan 0.000 0.444 195 K N 1.057 121.491 120.400 0.057 0.000 2.340 195 K HA 0.552 4.873 4.320 0.001 0.000 0.244 195 K C -0.545 176.105 176.600 0.083 0.000 0.973 195 K CA -0.647 55.679 56.287 0.065 0.000 0.828 195 K CB 2.200 34.718 32.500 0.030 0.000 1.226 195 K HN 0.212 nan 8.250 nan 0.000 0.437 196 E N 2.358 122.625 120.200 0.111 0.000 2.415 196 E HA 0.093 4.444 4.350 0.001 0.000 0.262 196 E C -0.883 175.737 176.600 0.033 0.000 1.038 196 E CA 0.494 56.956 56.400 0.102 0.000 0.921 196 E CB 0.588 30.406 29.700 0.196 0.000 0.950 196 E HN 0.371 nan 8.360 nan 0.000 0.438 197 M N 2.745 122.326 119.600 -0.030 0.000 2.562 197 M HA 0.125 4.605 4.480 0.001 0.000 0.281 197 M C -1.392 174.884 176.300 -0.040 0.000 1.195 197 M CA -0.948 54.348 55.300 -0.007 0.000 0.888 197 M CB 1.971 34.592 32.600 0.035 0.000 1.731 197 M HN 0.538 nan 8.290 nan 0.000 0.493 198 D N 1.340 121.743 120.400 0.005 0.000 2.344 198 D HA 0.351 4.992 4.640 0.001 0.000 0.244 198 D C 0.686 176.994 176.300 0.015 0.000 1.134 198 D CA -0.203 53.810 54.000 0.022 0.000 0.930 198 D CB 1.533 42.366 40.800 0.056 0.000 1.175 198 D HN 0.700 nan 8.370 nan 0.000 0.437 199 A N 2.089 124.933 122.820 0.040 0.000 1.865 199 A HA -0.104 4.216 4.320 0.001 0.000 0.217 199 A C -0.308 177.295 177.584 0.032 0.000 1.191 199 A CA 1.479 53.534 52.037 0.030 0.000 0.623 199 A CB -1.689 17.342 19.000 0.052 0.000 0.826 199 A HN 0.514 nan 8.150 nan 0.000 0.444 200 P HA -0.143 nan 4.420 nan 0.000 0.215 200 P C 1.527 178.853 177.300 0.043 0.000 1.157 200 P CA 2.087 65.213 63.100 0.042 0.000 0.874 200 P CB -0.277 31.454 31.700 0.052 0.000 0.790 201 T N -0.853 113.727 114.554 0.044 0.000 2.746 201 T HA -0.146 4.205 4.350 0.001 0.000 0.267 201 T C 1.858 176.598 174.700 0.066 0.000 1.039 201 T CA 1.637 63.766 62.100 0.048 0.000 1.142 201 T CB -0.936 67.959 68.868 0.044 0.000 0.866 201 T HN 0.058 nan 8.240 nan 0.000 0.444 202 A N 1.270 124.124 122.820 0.055 0.000 1.902 202 A HA 0.020 4.341 4.320 0.001 0.000 0.217 202 A C 2.290 179.894 177.584 0.035 0.000 1.181 202 A CA 1.162 53.234 52.037 0.059 0.000 0.623 202 A CB -0.855 18.050 19.000 -0.159 0.000 0.818 202 A HN 0.477 nan 8.150 nan 0.000 0.443 203 L N -1.126 120.117 121.223 0.032 0.000 2.131 203 L HA -0.185 4.156 4.340 0.001 0.000 0.210 203 L C 2.877 179.785 176.870 0.063 0.000 1.092 203 L CA 1.177 56.056 54.840 0.064 0.000 0.759 203 L CB -0.445 41.657 42.059 0.070 0.000 0.903 203 L HN 0.395 nan 8.230 nan 0.000 0.435 204 R N -0.415 120.120 120.500 0.059 0.000 2.073 204 R HA -0.135 4.205 4.340 0.001 0.000 0.229 204 R C 2.225 178.562 176.300 0.061 0.000 1.120 204 R CA 1.081 57.212 56.100 0.051 0.000 0.967 204 R CB -0.240 30.085 30.300 0.042 0.000 0.862 204 R HN 0.454 nan 8.270 nan 0.000 0.436 205 Q N 0.407 120.260 119.800 0.089 0.000 2.226 205 Q HA -0.070 4.271 4.340 0.001 0.000 0.204 205 Q C 1.781 177.857 176.000 0.128 0.000 0.975 205 Q CA 0.956 56.820 55.803 0.102 0.000 0.866 205 Q CB 0.113 28.937 28.738 0.143 0.000 0.915 205 Q HN 0.338 nan 8.270 nan 0.000 0.440 206 L N -0.123 121.180 121.223 0.134 0.000 2.591 206 L HA 0.071 4.412 4.340 0.001 0.000 0.228 206 L C -0.158 176.756 176.870 0.074 0.000 1.133 206 L CA 0.038 54.944 54.840 0.110 0.000 0.880 206 L CB -0.212 41.893 42.059 0.076 0.000 1.033 206 L HN 0.297 nan 8.230 nan 0.000 0.450 207 N N 0.403 119.140 118.700 0.061 0.000 2.754 207 N HA -0.173 4.568 4.740 0.001 0.000 0.248 207 N C -0.625 174.908 175.510 0.040 0.000 1.093 207 N CA -0.042 53.034 53.050 0.043 0.000 0.699 207 N CB -1.189 37.320 38.487 0.036 0.000 1.016 207 N HN 0.246 nan 8.380 nan 0.000 0.552 208 L N 0.457 121.708 121.223 0.046 0.000 2.342 208 L HA 0.526 4.867 4.340 0.001 0.000 0.271 208 L C 0.681 177.569 176.870 0.030 0.000 1.008 208 L CA -0.800 54.063 54.840 0.040 0.000 0.818 208 L CB 1.833 43.928 42.059 0.060 0.000 1.296 208 L HN 0.131 nan 8.230 nan 0.000 0.427 209 S N 1.520 117.228 115.700 0.015 0.000 2.585 209 S HA 0.629 5.100 4.470 0.001 0.000 0.277 209 S C -2.511 172.087 174.600 -0.004 0.000 1.241 209 S CA -1.310 56.895 58.200 0.007 0.000 1.041 209 S CB 1.228 64.429 63.200 0.002 0.000 0.987 209 S HN 0.287 nan 8.310 nan 0.000 0.512 210 P HA 0.301 nan 4.420 nan 0.000 0.270 210 P C -0.944 176.333 177.300 -0.038 0.000 1.227 210 P CA -0.290 62.795 63.100 -0.024 0.000 0.788 210 P CB 0.309 32.000 31.700 -0.016 0.000 0.926 211 L N 0.287 121.472 121.223 -0.064 0.000 2.341 211 L HA 0.514 4.855 4.340 0.001 0.000 0.267 211 L C 0.032 176.860 176.870 -0.069 0.000 1.009 211 L CA -0.570 54.229 54.840 -0.067 0.000 0.819 211 L CB 2.176 44.182 42.059 -0.089 0.000 1.323 211 L HN 0.209 nan 8.230 nan 0.000 0.425 212 T N 2.444 116.965 114.554 -0.054 0.000 2.779 212 T HA 0.489 4.840 4.350 0.001 0.000 0.280 212 T C -0.150 174.518 174.700 -0.052 0.000 0.987 212 T CA -0.485 61.588 62.100 -0.045 0.000 0.966 212 T CB 0.974 69.828 68.868 -0.023 0.000 0.933 212 T HN 0.253 nan 8.240 nan 0.000 0.442 213 L N 4.275 125.463 121.223 -0.058 0.000 2.410 213 L HA 0.323 4.663 4.340 0.001 0.000 0.273 213 L C 0.265 177.112 176.870 -0.040 0.000 1.144 213 L CA -0.329 54.475 54.840 -0.060 0.000 0.863 213 L CB 0.177 42.195 42.059 -0.068 0.000 1.140 213 L HN 0.401 nan 8.230 nan 0.000 0.463 214 L N 4.560 125.758 121.223 -0.043 0.000 2.431 214 L HA 0.449 4.790 4.340 0.001 0.000 0.260 214 L C -2.041 174.813 176.870 -0.027 0.000 1.098 214 L CA -2.143 52.677 54.840 -0.032 0.000 0.800 214 L CB 0.387 42.425 42.059 -0.036 0.000 1.210 214 L HN 0.336 nan 8.230 nan 0.000 0.465 215 P HA -0.098 nan 4.420 nan 0.000 0.264 215 P C -0.023 177.268 177.300 -0.015 0.000 1.179 215 P CA 0.477 63.570 63.100 -0.012 0.000 0.763 215 P CB 0.406 32.099 31.700 -0.013 0.000 0.806 216 K N 2.280 122.677 120.400 -0.005 0.000 3.571 216 K HA -0.298 4.023 4.320 0.001 0.000 0.275 216 K C 1.168 177.750 176.600 -0.030 0.000 1.034 216 K CA 2.440 58.722 56.287 -0.008 0.000 1.116 216 K CB -2.195 30.303 32.500 -0.002 0.000 1.386 216 K HN 0.578 nan 8.250 nan 0.000 0.466 217 E N -0.845 119.326 120.200 -0.047 0.000 2.153 217 E HA -0.094 4.257 4.350 0.001 0.000 0.194 217 E C 1.892 178.453 176.600 -0.065 0.000 0.988 217 E CA 1.111 57.465 56.400 -0.075 0.000 0.811 217 E CB -0.286 29.363 29.700 -0.084 0.000 0.746 217 E HN 0.614 nan 8.360 nan 0.000 0.466 218 G N 1.372 110.143 108.800 -0.048 0.000 2.404 218 G HA2 -0.220 3.740 3.960 0.001 0.000 0.215 218 G HA3 -0.220 3.740 3.960 0.001 0.000 0.215 218 G C 1.594 176.472 174.900 -0.036 0.000 1.174 218 G CA 0.322 45.391 45.100 -0.052 0.000 0.780 218 G HN 0.086 nan 8.290 nan 0.000 0.537 219 L N 0.688 121.901 121.223 -0.016 0.000 2.083 219 L HA -0.029 4.311 4.340 0.001 0.000 0.209 219 L C 3.370 180.250 176.870 0.017 0.000 1.083 219 L CA 0.908 55.747 54.840 -0.001 0.000 0.752 219 L CB -0.299 41.767 42.059 0.011 0.000 0.899 219 L HN 0.314 nan 8.230 nan 0.000 0.433 220 A N -0.723 122.102 122.820 0.008 0.000 1.969 220 A HA -0.176 4.145 4.320 0.001 0.000 0.218 220 A C 2.285 179.963 177.584 0.157 0.000 1.169 220 A CA 1.354 53.416 52.037 0.042 0.000 0.635 220 A CB -0.241 18.707 19.000 -0.087 0.000 0.810 220 A HN 0.262 nan 8.150 nan 0.000 0.445 221 M N -1.464 118.181 119.600 0.074 0.000 2.287 221 M HA 0.168 4.649 4.480 0.001 0.000 0.266 221 M C 1.879 178.200 176.300 0.035 0.000 1.079 221 M CA 1.299 56.653 55.300 0.090 0.000 1.146 221 M CB -0.792 31.809 32.600 0.002 0.000 1.374 221 M HN 0.430 nan 8.290 nan 0.000 0.435 222 M N -1.621 117.979 119.600 0.001 0.000 2.382 222 M HA 0.090 4.571 4.480 0.001 0.000 0.247 222 M C 0.230 176.520 176.300 -0.017 0.000 1.104 222 M CA 0.069 55.355 55.300 -0.023 0.000 1.030 222 M CB 0.005 32.565 32.600 -0.066 0.000 1.424 222 M HN 0.145 nan 8.290 nan 0.000 0.486 223 N N 1.250 119.955 118.700 0.009 0.000 2.426 223 N HA 0.485 5.226 4.740 0.001 0.000 0.257 223 N C -0.536 175.025 175.510 0.085 0.000 1.002 223 N CA -0.140 52.923 53.050 0.022 0.000 0.942 223 N CB 0.808 39.316 38.487 0.036 0.000 1.112 223 N HN 0.281 nan 8.380 nan 0.000 0.499 224 G N 0.271 109.132 108.800 0.103 0.000 2.352 224 G HA2 -0.041 3.920 3.960 0.001 0.000 0.302 224 G HA3 -0.041 3.920 3.960 0.001 0.000 0.302 224 G C -0.021 174.937 174.900 0.096 0.000 1.370 224 G CA -0.320 44.849 45.100 0.115 0.000 0.918 224 G HN 0.376 nan 8.290 nan 0.000 0.610 225 T N -2.088 112.517 114.554 0.085 0.000 3.134 225 T HA 0.335 4.686 4.350 0.001 0.000 0.260 225 T C 1.959 176.700 174.700 0.068 0.000 1.027 225 T CA 1.194 63.346 62.100 0.085 0.000 0.913 225 T CB 0.340 69.258 68.868 0.083 0.000 1.046 225 T HN 0.525 nan 8.240 nan 0.000 0.553 226 S N 1.508 117.234 115.700 0.042 0.000 2.387 226 S HA -0.122 4.349 4.470 0.001 0.000 0.230 226 S C 2.016 176.648 174.600 0.054 0.000 1.035 226 S CA 1.458 59.672 58.200 0.023 0.000 1.014 226 S CB -0.461 62.729 63.200 -0.016 0.000 0.836 226 S HN 0.505 nan 8.310 nan 0.000 0.466 227 V N 3.255 123.229 119.914 0.101 0.000 2.302 227 V HA -0.157 3.964 4.120 0.001 0.000 0.243 227 V C 2.413 178.611 176.094 0.173 0.000 1.036 227 V CA 1.800 64.195 62.300 0.159 0.000 1.020 227 V CB -0.915 31.069 31.823 0.267 0.000 0.657 227 V HN 0.638 nan 8.190 nan 0.000 0.453 228 M N 0.217 119.958 119.600 0.236 0.000 2.159 228 M HA -0.144 4.337 4.480 0.001 0.000 0.263 228 M C 1.960 178.306 176.300 0.076 0.000 1.063 228 M CA 2.488 57.890 55.300 0.170 0.000 1.110 228 M CB -1.342 31.392 32.600 0.223 0.000 1.374 228 M HN 0.241 nan 8.290 nan 0.000 0.411 229 T N 0.892 115.490 114.554 0.073 0.000 2.857 229 T HA 0.046 4.397 4.350 0.001 0.000 0.266 229 T C 1.989 176.706 174.700 0.028 0.000 1.048 229 T CA 1.421 63.547 62.100 0.045 0.000 1.139 229 T CB -0.699 68.191 68.868 0.036 0.000 0.874 229 T HN 0.715 nan 8.240 nan 0.000 0.455 230 G N 1.401 110.217 108.800 0.027 0.000 2.418 230 G HA2 -0.114 3.847 3.960 0.001 0.000 0.217 230 G HA3 -0.114 3.847 3.960 0.001 0.000 0.217 230 G C 1.511 176.415 174.900 0.006 0.000 1.158 230 G CA 0.407 45.514 45.100 0.011 0.000 0.771 230 G HN 0.477 nan 8.290 nan 0.000 0.545 231 I N 1.347 121.918 120.570 0.002 0.000 2.179 231 I HA -0.162 4.009 4.170 0.001 0.000 0.242 231 I C 3.306 179.420 176.117 -0.004 0.000 1.088 231 I CA 0.995 62.282 61.300 -0.023 0.000 1.357 231 I CB -0.260 37.692 38.000 -0.079 0.000 1.051 231 I HN 0.236 nan 8.210 nan 0.000 0.409 232 A N 0.823 123.647 122.820 0.007 0.000 1.908 232 A HA -0.195 4.126 4.320 0.001 0.000 0.218 232 A C 2.549 180.158 177.584 0.041 0.000 1.181 232 A CA 1.953 54.005 52.037 0.025 0.000 0.627 232 A CB -0.857 18.163 19.000 0.032 0.000 0.818 232 A HN 0.447 nan 8.150 nan 0.000 0.445 233 A N 0.365 123.206 122.820 0.035 0.000 1.883 233 A HA -0.224 4.097 4.320 0.001 0.000 0.217 233 A C 1.942 179.568 177.584 0.070 0.000 1.186 233 A CA 1.839 53.902 52.037 0.044 0.000 0.624 233 A CB -0.662 18.348 19.000 0.016 0.000 0.822 233 A HN 0.553 nan 8.150 nan 0.000 0.444 234 N N -0.216 118.512 118.700 0.048 0.000 2.223 234 N HA -0.131 4.610 4.740 0.001 0.000 0.185 234 N C 1.727 177.316 175.510 0.133 0.000 1.016 234 N CA 1.503 54.599 53.050 0.077 0.000 0.863 234 N CB -0.804 37.701 38.487 0.030 0.000 0.983 234 N HN 0.542 nan 8.380 nan 0.000 0.429 235 C N 0.100 119.453 119.300 0.089 0.000 2.432 235 C HA -0.007 4.454 4.460 0.001 0.000 0.277 235 C C 2.861 177.918 174.990 0.112 0.000 1.249 235 C CA 0.267 59.337 59.018 0.088 0.000 1.725 235 C CB -0.889 26.883 27.740 0.054 0.000 2.028 235 C HN 0.208 nan 8.230 nan 0.000 0.477 236 V N -0.229 119.753 119.914 0.113 0.000 2.343 236 V HA -0.246 3.875 4.120 0.001 0.000 0.247 236 V C 2.083 178.252 176.094 0.126 0.000 1.051 236 V CA 2.275 64.641 62.300 0.110 0.000 1.036 236 V CB -0.958 30.924 31.823 0.098 0.000 0.654 236 V HN 0.613 nan 8.190 nan 0.000 0.451 237 Y N 1.618 121.937 120.300 0.033 0.000 2.097 237 Y HA -0.273 4.278 4.550 0.001 0.000 0.282 237 Y C 2.376 178.301 175.900 0.041 0.000 1.152 237 Y CA 2.201 60.319 58.100 0.030 0.000 1.136 237 Y CB -0.397 38.076 38.460 0.022 0.000 0.975 237 Y HN 0.315 nan 8.280 nan 0.000 0.498 238 D N -0.988 119.480 120.400 0.114 0.000 2.144 238 D HA -0.136 4.505 4.640 0.001 0.000 0.200 238 D C 2.103 178.416 176.300 0.022 0.000 0.978 238 D CA 1.866 55.885 54.000 0.031 0.000 0.833 238 D CB -0.416 40.457 40.800 0.122 0.000 0.961 238 D HN 0.390 nan 8.370 nan 0.000 0.470 239 T N 0.702 115.299 114.554 0.072 0.000 2.904 239 T HA -0.101 4.250 4.350 0.001 0.000 0.267 239 T C 1.945 176.689 174.700 0.073 0.000 1.059 239 T CA 0.794 62.965 62.100 0.119 0.000 1.137 239 T CB -0.028 68.916 68.868 0.127 0.000 0.879 239 T HN 0.212 nan 8.240 nan 0.000 0.467 240 Q N 0.220 120.018 119.800 -0.004 0.000 2.079 240 Q HA 0.020 4.361 4.340 0.001 0.000 0.200 240 Q C 2.287 178.258 176.000 -0.049 0.000 0.974 240 Q CA 1.148 56.927 55.803 -0.039 0.000 0.840 240 Q CB -0.265 28.424 28.738 -0.082 0.000 0.898 240 Q HN 0.511 nan 8.270 nan 0.000 0.430 241 I N 0.374 120.869 120.570 -0.125 0.000 2.202 241 I HA -0.290 3.881 4.170 0.001 0.000 0.242 241 I C 2.075 178.171 176.117 -0.034 0.000 1.091 241 I CA 1.049 62.277 61.300 -0.120 0.000 1.368 241 I CB -0.185 37.684 38.000 -0.217 0.000 1.058 241 I HN 0.212 nan 8.210 nan 0.000 0.410 242 L N -0.014 121.211 121.223 0.005 0.000 2.131 242 L HA -0.191 4.150 4.340 0.001 0.000 0.210 242 L C 2.564 179.496 176.870 0.104 0.000 1.092 242 L CA 1.363 56.212 54.840 0.015 0.000 0.759 242 L CB -0.757 41.345 42.059 0.071 0.000 0.903 242 L HN 0.250 nan 8.230 nan 0.000 0.435 243 T N -0.338 114.314 114.554 0.163 0.000 2.821 243 T HA -0.129 4.222 4.350 0.001 0.000 0.267 243 T C 2.012 176.816 174.700 0.174 0.000 1.046 243 T CA 1.218 63.437 62.100 0.197 0.000 1.139 243 T CB -0.153 68.804 68.868 0.149 0.000 0.871 243 T HN 0.445 nan 8.240 nan 0.000 0.454 244 A N 1.173 124.068 122.820 0.125 0.000 1.898 244 A HA 0.010 4.331 4.320 0.001 0.000 0.216 244 A C 2.256 179.885 177.584 0.074 0.000 1.181 244 A CA 1.115 53.228 52.037 0.126 0.000 0.620 244 A CB -0.718 18.332 19.000 0.083 0.000 0.819 244 A HN 0.521 nan 8.150 nan 0.000 0.442 245 I N -0.254 120.335 120.570 0.031 0.000 2.315 245 I HA -0.255 3.916 4.170 0.001 0.000 0.248 245 I C 2.930 179.042 176.117 -0.009 0.000 1.117 245 I CA 0.961 62.256 61.300 -0.009 0.000 1.404 245 I CB -0.328 37.639 38.000 -0.055 0.000 1.071 245 I HN 0.354 nan 8.210 nan 0.000 0.419 246 A N 0.681 123.516 122.820 0.024 0.000 1.933 246 A HA -0.199 4.122 4.320 0.001 0.000 0.218 246 A C 2.365 179.986 177.584 0.063 0.000 1.175 246 A CA 1.368 53.418 52.037 0.022 0.000 0.628 246 A CB -0.405 18.696 19.000 0.168 0.000 0.814 246 A HN 0.266 nan 8.150 nan 0.000 0.444 247 M N -0.594 119.096 119.600 0.149 0.000 2.117 247 M HA -0.113 4.368 4.480 0.001 0.000 0.262 247 M C 2.313 178.653 176.300 0.066 0.000 1.065 247 M CA 1.560 56.954 55.300 0.158 0.000 1.114 247 M CB -1.730 30.934 32.600 0.107 0.000 1.361 247 M HN 0.491 nan 8.290 nan 0.000 0.408 248 G N -0.550 108.264 108.800 0.024 0.000 2.422 248 G HA2 -0.079 3.882 3.960 0.001 0.000 0.218 248 G HA3 -0.079 3.882 3.960 0.001 0.000 0.218 248 G C 1.658 176.555 174.900 -0.006 0.000 1.146 248 G CA 0.738 45.837 45.100 -0.001 0.000 0.769 248 G HN 0.340 nan 8.290 nan 0.000 0.547 249 V N 0.539 120.428 119.914 -0.040 0.000 2.307 249 V HA -0.176 3.945 4.120 0.001 0.000 0.245 249 V C 2.551 178.601 176.094 -0.074 0.000 1.045 249 V CA 1.768 64.019 62.300 -0.082 0.000 1.024 249 V CB -0.650 31.073 31.823 -0.167 0.000 0.651 249 V HN 0.423 nan 8.190 nan 0.000 0.449 250 H N 0.182 119.242 119.070 -0.017 0.000 2.422 250 H HA -0.087 4.470 4.556 0.001 0.000 0.298 250 H C 2.346 177.665 175.328 -0.016 0.000 1.098 250 H CA 1.678 57.708 56.048 -0.030 0.000 1.315 250 H CB -0.369 29.366 29.762 -0.046 0.000 1.382 250 H HN 0.467 nan 8.280 nan 0.000 0.523 251 A N 0.877 123.743 122.820 0.077 0.000 1.930 251 A HA -0.087 4.234 4.320 0.001 0.000 0.217 251 A C 2.711 180.314 177.584 0.030 0.000 1.175 251 A CA 0.889 52.932 52.037 0.010 0.000 0.627 251 A CB -0.739 18.238 19.000 -0.038 0.000 0.815 251 A HN 0.276 nan 8.150 nan 0.000 0.443 252 L N -0.565 120.682 121.223 0.039 0.000 2.093 252 L HA -0.161 4.180 4.340 0.001 0.000 0.208 252 L C 2.065 178.980 176.870 0.075 0.000 1.085 252 L CA 1.259 56.131 54.840 0.054 0.000 0.755 252 L CB -0.585 41.515 42.059 0.068 0.000 0.904 252 L HN 0.296 nan 8.230 nan 0.000 0.435 253 D N 0.382 120.831 120.400 0.082 0.000 2.097 253 D HA -0.173 4.468 4.640 0.001 0.000 0.195 253 D C 2.273 178.641 176.300 0.114 0.000 0.989 253 D CA 1.326 55.388 54.000 0.102 0.000 0.827 253 D CB -0.154 40.708 40.800 0.103 0.000 0.966 253 D HN 0.281 nan 8.370 nan 0.000 0.456 254 I N 0.888 121.532 120.570 0.123 0.000 2.163 254 I HA -0.320 3.850 4.170 0.001 0.000 0.243 254 I C 2.463 178.644 176.117 0.106 0.000 1.085 254 I CA 1.277 62.658 61.300 0.135 0.000 1.347 254 I CB -0.265 37.831 38.000 0.160 0.000 1.044 254 I HN 0.035 nan 8.210 nan 0.000 0.408 255 Q N 0.517 120.364 119.800 0.080 0.000 2.046 255 Q HA -0.155 4.186 4.340 0.001 0.000 0.200 255 Q C 2.485 178.524 176.000 0.065 0.000 0.975 255 Q CA 1.643 57.481 55.803 0.059 0.000 0.836 255 Q CB -0.321 28.435 28.738 0.030 0.000 0.896 255 Q HN 0.573 nan 8.270 nan 0.000 0.428 256 A N 0.823 123.690 122.820 0.079 0.000 1.972 256 A HA -0.123 4.198 4.320 0.001 0.000 0.219 256 A C 1.873 179.515 177.584 0.097 0.000 1.169 256 A CA 1.081 53.173 52.037 0.093 0.000 0.635 256 A CB -0.426 18.645 19.000 0.118 0.000 0.810 256 A HN 0.293 nan 8.150 nan 0.000 0.446 257 L N -0.836 120.447 121.223 0.101 0.000 2.592 257 L HA 0.105 4.446 4.340 0.001 0.000 0.227 257 L C 0.866 177.789 176.870 0.089 0.000 1.127 257 L CA 0.243 55.144 54.840 0.103 0.000 0.884 257 L CB -0.497 41.630 42.059 0.113 0.000 1.065 257 L HN 0.642 nan 8.230 nan 0.000 0.457 258 N N 0.771 119.518 118.700 0.078 0.000 2.740 258 N HA -0.141 4.599 4.740 0.001 0.000 0.248 258 N C 0.526 176.081 175.510 0.074 0.000 1.062 258 N CA 0.089 53.178 53.050 0.066 0.000 0.704 258 N CB -0.382 38.139 38.487 0.055 0.000 0.968 258 N HN 0.451 nan 8.380 nan 0.000 0.547 259 G N -0.189 108.667 108.800 0.092 0.000 2.599 259 G HA2 0.350 4.311 3.960 0.001 0.000 0.264 259 G HA3 0.350 4.311 3.960 0.001 0.000 0.264 259 G C -0.030 174.930 174.900 0.100 0.000 1.200 259 G CA 0.249 45.408 45.100 0.100 0.000 0.896 259 G HN 0.211 nan 8.290 nan 0.000 0.536 260 T N -1.163 113.441 114.554 0.082 0.000 2.928 260 T HA 0.239 4.590 4.350 0.001 0.000 0.284 260 T C 1.367 176.140 174.700 0.123 0.000 1.008 260 T CA -0.402 61.744 62.100 0.077 0.000 1.057 260 T CB 0.718 69.606 68.868 0.033 0.000 1.018 260 T HN 0.579 nan 8.240 nan 0.000 0.493 261 N N 2.445 121.242 118.700 0.162 0.000 2.336 261 N HA -0.012 4.729 4.740 0.001 0.000 0.189 261 N C 1.423 177.046 175.510 0.188 0.000 1.113 261 N CA 0.274 53.510 53.050 0.311 0.000 0.858 261 N CB -0.328 38.317 38.487 0.262 0.000 0.970 261 N HN 0.749 nan 8.380 nan 0.000 0.471 262 Q N 0.628 120.462 119.800 0.056 0.000 2.170 262 Q HA -0.046 4.294 4.340 0.001 0.000 0.203 262 Q C 0.871 176.837 176.000 -0.057 0.000 0.976 262 Q CA 1.345 57.169 55.803 0.036 0.000 0.858 262 Q CB -0.063 28.678 28.738 0.005 0.000 0.907 262 Q HN 0.382 nan 8.270 nan 0.000 0.433 263 S N 0.053 115.568 115.700 -0.309 0.000 2.469 263 S HA -0.089 4.382 4.470 0.001 0.000 0.238 263 S C 0.712 175.079 174.600 -0.388 0.000 0.998 263 S CA 0.784 58.699 58.200 -0.475 0.000 0.957 263 S CB -0.107 62.635 63.200 -0.763 0.000 0.764 263 S HN 0.404 nan 8.310 nan 0.000 0.514 264 F N 0.217 120.299 119.950 0.221 0.000 2.693 264 F HA 0.270 4.798 4.527 0.001 0.000 0.303 264 F C 1.075 177.047 175.800 0.286 0.000 1.097 264 F CA -0.868 57.286 58.000 0.257 0.000 1.330 264 F CB -0.517 38.522 39.000 0.066 0.000 1.067 264 F HN 0.186 nan 8.300 nan 0.000 0.565 265 H N 3.684 122.897 119.070 0.239 0.000 3.070 265 H HA 0.010 4.567 4.556 0.001 0.000 0.313 265 H C -1.685 173.785 175.328 0.238 0.000 0.997 265 H CA -1.282 54.880 56.048 0.190 0.000 1.438 265 H CB 1.269 31.097 29.762 0.109 0.000 1.455 265 H HN -0.013 nan 8.280 nan 0.000 0.575 266 P HA -0.200 nan 4.420 nan 0.000 0.218 266 P C 1.401 178.894 177.300 0.321 0.000 1.146 266 P CA 1.058 64.301 63.100 0.239 0.000 0.820 266 P CB -0.158 31.583 31.700 0.068 0.000 0.778 267 F N -0.120 120.070 119.950 0.401 0.000 2.134 267 F HA -0.155 4.373 4.527 0.001 0.000 0.299 267 F C 1.987 177.794 175.800 0.011 0.000 1.097 267 F CA 1.346 59.443 58.000 0.161 0.000 1.264 267 F CB -0.656 38.371 39.000 0.045 0.000 1.001 267 F HN -0.206 nan 8.300 nan 0.000 0.479 268 I N -0.529 120.037 120.570 -0.008 0.000 2.142 268 I HA -0.336 3.835 4.170 0.001 0.000 0.240 268 I C 2.379 178.243 176.117 -0.422 0.000 1.078 268 I CA 1.410 62.524 61.300 -0.310 0.000 1.343 268 I CB -0.691 37.023 38.000 -0.476 0.000 1.046 268 I HN 0.176 nan 8.210 nan 0.000 0.405 269 H N 0.292 119.371 119.070 0.015 0.000 2.470 269 H HA 0.028 4.585 4.556 0.001 0.000 0.289 269 H C 1.692 177.001 175.328 -0.030 0.000 1.033 269 H CA 0.759 56.814 56.048 0.012 0.000 1.331 269 H CB -0.355 29.445 29.762 0.064 0.000 1.414 269 H HN 0.388 nan 8.280 nan 0.000 0.545 270 N N 0.977 119.678 118.700 0.002 0.000 2.459 270 N HA -0.094 4.647 4.740 0.001 0.000 0.181 270 N C 1.875 177.298 175.510 -0.145 0.000 1.046 270 N CA 0.940 53.962 53.050 -0.047 0.000 0.904 270 N CB 0.046 38.512 38.487 -0.035 0.000 0.964 270 N HN 0.371 nan 8.380 nan 0.000 0.444 271 S N -0.303 115.249 115.700 -0.246 0.000 2.527 271 S HA 0.041 4.512 4.470 0.001 0.000 0.222 271 S C 0.938 175.440 174.600 -0.164 0.000 0.985 271 S CA 0.350 58.391 58.200 -0.266 0.000 0.921 271 S CB 0.194 63.155 63.200 -0.399 0.000 0.772 271 S HN 0.121 nan 8.310 nan 0.000 0.529 272 K N 2.184 122.515 120.400 -0.114 0.000 3.098 272 K HA 0.300 4.621 4.320 0.001 0.000 0.170 272 K C -2.815 173.754 176.600 -0.052 0.000 1.106 272 K CA -1.668 54.570 56.287 -0.081 0.000 0.864 272 K CB 1.176 33.675 32.500 -0.001 0.000 1.047 272 K HN 0.036 nan 8.250 nan 0.000 0.609 273 P HA -0.087 nan 4.420 nan 0.000 0.271 273 P C -0.769 176.495 177.300 -0.060 0.000 1.601 273 P CA 0.100 63.166 63.100 -0.057 0.000 0.856 273 P CB -0.335 31.327 31.700 -0.063 0.000 1.820 274 H N 2.028 121.121 119.070 0.039 0.000 2.803 274 H HA 0.062 4.620 4.556 0.002 0.000 0.330 274 H C -1.034 174.321 175.328 0.045 0.000 1.057 274 H CA -1.253 54.813 56.048 0.030 0.000 1.458 274 H CB 0.678 30.456 29.762 0.025 0.000 1.470 274 H HN 0.174 nan 8.280 nan 0.000 0.560 275 P HA -0.153 nan 4.420 nan 0.000 0.216 275 P C 1.517 178.899 177.300 0.137 0.000 1.153 275 P CA 1.500 64.668 63.100 0.113 0.000 0.858 275 P CB 0.008 31.745 31.700 0.062 0.000 0.789 276 G N -0.112 108.746 108.800 0.096 0.000 2.422 276 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 276 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 276 G C 1.755 176.768 174.900 0.189 0.000 1.140 276 G CA 0.600 45.756 45.100 0.093 0.000 0.775 276 G HN 0.344 nan 8.290 nan 0.000 0.545 277 Q N -0.286 119.607 119.800 0.155 0.000 2.046 277 Q HA 0.034 4.375 4.340 0.001 0.000 0.200 277 Q C 2.552 178.603 176.000 0.085 0.000 0.975 277 Q CA 0.771 56.655 55.803 0.135 0.000 0.836 277 Q CB -0.208 28.645 28.738 0.191 0.000 0.896 277 Q HN 0.475 nan 8.270 nan 0.000 0.428 278 L N -0.512 120.793 121.223 0.136 0.000 2.042 278 L HA -0.209 4.131 4.340 0.001 0.000 0.210 278 L C 2.254 179.174 176.870 0.083 0.000 1.076 278 L CA 1.624 56.526 54.840 0.103 0.000 0.749 278 L CB -0.576 41.560 42.059 0.128 0.000 0.893 278 L HN 0.466 nan 8.230 nan 0.000 0.432 279 W N 0.605 121.891 121.300 -0.023 0.000 2.355 279 W HA -0.238 4.422 4.660 0.001 0.000 0.309 279 W C 2.547 179.035 176.519 -0.052 0.000 1.206 279 W CA 1.930 59.257 57.345 -0.030 0.000 1.284 279 W CB -0.208 29.240 29.460 -0.020 0.000 1.145 279 W HN 0.108 nan 8.180 nan 0.000 0.502 280 A N 0.685 123.595 122.820 0.150 0.000 1.902 280 A HA -0.092 4.228 4.320 0.001 0.000 0.217 280 A C 2.082 179.516 177.584 -0.251 0.000 1.181 280 A CA 2.651 54.645 52.037 -0.071 0.000 0.623 280 A CB -1.571 17.518 19.000 0.148 0.000 0.818 280 A HN 0.443 nan 8.150 nan 0.000 0.443 281 A N -0.177 122.502 122.820 -0.234 0.000 1.902 281 A HA -0.200 4.121 4.320 0.001 0.000 0.217 281 A C 1.855 179.310 177.584 -0.216 0.000 1.181 281 A CA 2.181 54.066 52.037 -0.253 0.000 0.623 281 A CB -0.723 17.876 19.000 -0.668 0.000 0.818 281 A HN 0.563 nan 8.150 nan 0.000 0.443 282 D N -1.332 118.924 120.400 -0.240 0.000 2.144 282 D HA -0.136 4.504 4.640 0.001 0.000 0.200 282 D C 2.103 178.197 176.300 -0.344 0.000 0.978 282 D CA 1.171 55.032 54.000 -0.232 0.000 0.833 282 D CB -0.026 40.661 40.800 -0.188 0.000 0.961 282 D HN 0.329 nan 8.370 nan 0.000 0.470 283 Q N -0.505 118.966 119.800 -0.550 0.000 2.119 283 Q HA -0.107 4.234 4.340 0.001 0.000 0.201 283 Q C 2.013 177.754 176.000 -0.433 0.000 0.972 283 Q CA 0.757 56.209 55.803 -0.586 0.000 0.847 283 Q CB -0.338 27.814 28.738 -0.976 0.000 0.903 283 Q HN 0.381 nan 8.270 nan 0.000 0.433 284 M N 0.398 119.712 119.600 -0.476 0.000 2.175 284 M HA -0.083 4.398 4.480 0.001 0.000 0.264 284 M C 1.730 177.745 176.300 -0.474 0.000 1.063 284 M CA 1.033 55.988 55.300 -0.576 0.000 1.119 284 M CB -0.268 31.697 32.600 -1.059 0.000 1.377 284 M HN 0.037 nan 8.290 nan 0.000 0.415 285 I N -0.628 119.737 120.570 -0.341 0.000 2.163 285 I HA -0.266 3.905 4.170 0.001 0.000 0.243 285 I C 2.151 178.174 176.117 -0.156 0.000 1.085 285 I CA 1.390 62.584 61.300 -0.176 0.000 1.347 285 I CB -1.619 36.323 38.000 -0.097 0.000 1.044 285 I HN 0.264 nan 8.210 nan 0.000 0.408 286 S N 0.900 116.493 115.700 -0.178 0.000 2.382 286 S HA -0.088 4.383 4.470 0.001 0.000 0.228 286 S C 2.097 176.618 174.600 -0.133 0.000 1.027 286 S CA 1.012 59.128 58.200 -0.141 0.000 0.991 286 S CB -0.322 62.786 63.200 -0.152 0.000 0.823 286 S HN 0.362 nan 8.310 nan 0.000 0.469 287 L N 0.656 121.776 121.223 -0.172 0.000 2.141 287 L HA 0.048 4.389 4.340 0.001 0.000 0.209 287 L C 1.723 178.525 176.870 -0.114 0.000 1.094 287 L CA 0.913 55.669 54.840 -0.140 0.000 0.763 287 L CB -0.261 41.700 42.059 -0.164 0.000 0.908 287 L HN 0.285 nan 8.230 nan 0.000 0.437 288 L N -0.645 120.498 121.223 -0.132 0.000 2.585 288 L HA 0.234 4.575 4.340 0.001 0.000 0.226 288 L C 1.185 178.025 176.870 -0.050 0.000 1.113 288 L CA -0.554 54.237 54.840 -0.083 0.000 0.876 288 L CB -0.190 41.818 42.059 -0.085 0.000 1.072 288 L HN 0.056 nan 8.230 nan 0.000 0.468 289 A N 1.056 123.841 122.820 -0.058 0.000 2.545 289 A HA 0.040 4.361 4.320 0.001 0.000 0.253 289 A C 0.794 178.360 177.584 -0.029 0.000 1.074 289 A CA 0.249 52.263 52.037 -0.039 0.000 0.760 289 A CB -0.209 18.763 19.000 -0.046 0.000 1.005 289 A HN 0.615 nan 8.150 nan 0.000 0.506 290 N N -0.115 118.574 118.700 -0.018 0.000 2.901 290 N HA -0.150 4.591 4.740 0.001 0.000 0.248 290 N C 0.182 175.682 175.510 -0.016 0.000 1.044 290 N CA 1.302 54.343 53.050 -0.015 0.000 0.847 290 N CB -1.493 36.984 38.487 -0.018 0.000 1.127 290 N HN 0.874 nan 8.380 nan 0.000 0.562 291 S N 0.114 115.806 115.700 -0.014 0.000 2.565 291 S HA 0.233 4.704 4.470 0.001 0.000 0.276 291 S C 1.104 175.700 174.600 -0.007 0.000 1.326 291 S CA -0.014 58.176 58.200 -0.015 0.000 1.045 291 S CB 0.955 64.148 63.200 -0.011 0.000 0.918 291 S HN 0.093 nan 8.310 nan 0.000 0.505 292 Q N 3.521 123.313 119.800 -0.013 0.000 2.219 292 Q HA 0.296 4.637 4.340 0.001 0.000 0.209 292 Q C 0.853 176.849 176.000 -0.008 0.000 0.854 292 Q CA 0.164 55.961 55.803 -0.009 0.000 0.960 292 Q CB 0.271 29.001 28.738 -0.013 0.000 1.116 292 Q HN 0.715 nan 8.270 nan 0.000 0.500 293 L N -0.609 120.612 121.223 -0.004 0.000 2.609 293 L HA 0.206 4.547 4.340 0.001 0.000 0.230 293 L C 0.475 177.359 176.870 0.024 0.000 1.087 293 L CA 0.100 54.942 54.840 0.004 0.000 0.874 293 L CB 0.763 42.822 42.059 0.001 0.000 1.114 293 L HN -0.141 nan 8.230 nan 0.000 0.488 294 V N 1.393 121.325 119.914 0.030 0.000 2.644 294 V HA 0.202 4.323 4.120 0.001 0.000 0.295 294 V C 0.343 176.465 176.094 0.046 0.000 1.053 294 V CA -0.711 61.620 62.300 0.052 0.000 0.987 294 V CB 1.406 33.270 31.823 0.067 0.000 1.006 294 V HN 0.363 nan 8.190 nan 0.000 0.472 295 R N 1.907 122.439 120.500 0.052 0.000 2.216 295 R HA 0.338 4.679 4.340 0.001 0.000 0.332 295 R C -0.662 175.667 176.300 0.050 0.000 1.056 295 R CA -0.613 55.512 56.100 0.042 0.000 0.901 295 R CB 0.481 30.803 30.300 0.037 0.000 1.039 295 R HN 0.562 nan 8.270 nan 0.000 0.456 296 D N 3.264 123.689 120.400 0.042 0.000 2.358 296 D HA 0.006 4.647 4.640 0.001 0.000 0.258 296 D C -0.330 175.997 176.300 0.045 0.000 1.223 296 D CA 0.288 54.316 54.000 0.047 0.000 0.886 296 D CB 0.748 41.569 40.800 0.035 0.000 1.120 296 D HN 0.683 nan 8.370 nan 0.000 0.482 297 E N 3.183 123.417 120.200 0.058 0.000 3.254 297 E HA 0.090 4.441 4.350 0.001 0.000 0.184 297 E C 1.127 177.773 176.600 0.077 0.000 0.967 297 E CA -0.028 56.402 56.400 0.050 0.000 1.311 297 E CB 0.488 30.208 29.700 0.034 0.000 1.071 297 E HN 0.417 nan 8.360 nan 0.000 0.456 298 L N 1.314 122.601 121.223 0.106 0.000 2.551 298 L HA -0.109 4.232 4.340 0.001 0.000 0.228 298 L C 1.660 178.641 176.870 0.185 0.000 1.153 298 L CA 0.872 55.828 54.840 0.193 0.000 0.851 298 L CB -0.213 41.928 42.059 0.137 0.000 0.959 298 L HN 0.246 nan 8.230 nan 0.000 0.451 299 D N -0.955 119.494 120.400 0.083 0.000 2.348 299 D HA -0.001 4.640 4.640 0.001 0.000 0.211 299 D C 1.530 177.822 176.300 -0.013 0.000 0.998 299 D CA 0.954 54.977 54.000 0.039 0.000 0.873 299 D CB 0.309 41.122 40.800 0.020 0.000 0.925 299 D HN 0.190 nan 8.370 nan 0.000 0.524 300 G N -0.498 108.289 108.800 -0.021 0.000 2.218 300 G HA2 -0.217 3.743 3.960 0.001 0.000 0.216 300 G HA3 -0.217 3.743 3.960 0.001 0.000 0.216 300 G C 0.283 175.157 174.900 -0.043 0.000 0.994 300 G CA 0.091 45.150 45.100 -0.068 0.000 0.637 300 G HN 0.495 nan 8.290 nan 0.000 0.505 311 Q N 1.257 121.086 119.800 0.048 0.000 2.197 311 Q HA -0.165 4.176 4.340 0.001 0.000 0.207 311 Q C -0.358 175.684 176.000 0.069 0.000 0.984 311 Q CA 1.444 57.282 55.803 0.059 0.000 0.869 311 Q CB -0.242 28.527 28.738 0.052 0.000 0.906 311 Q HN 0.470 nan 8.270 nan 0.000 0.426 312 D N 1.054 121.491 120.400 0.061 0.000 2.348 312 D HA 0.056 4.697 4.640 0.001 0.000 0.253 312 D C -0.018 176.339 176.300 0.095 0.000 1.161 312 D CA 0.032 54.073 54.000 0.068 0.000 0.876 312 D CB 0.639 41.465 40.800 0.043 0.000 1.160 312 D HN -0.056 nan 8.370 nan 0.000 0.459 313 R N 2.123 122.676 120.500 0.089 0.000 2.827 313 R HA -0.027 4.314 4.340 0.001 0.000 0.269 313 R C 0.925 177.349 176.300 0.207 0.000 1.048 313 R CA -0.099 56.060 56.100 0.099 0.000 1.173 313 R CB -0.090 30.206 30.300 -0.007 0.000 1.070 313 R HN 0.527 nan 8.270 nan 0.000 0.498 314 Y N 0.674 120.944 120.300 -0.050 0.000 2.256 314 Y HA -0.220 4.331 4.550 0.001 0.000 0.288 314 Y C 2.521 178.387 175.900 -0.057 0.000 1.155 314 Y CA 1.593 59.662 58.100 -0.052 0.000 1.203 314 Y CB -0.856 37.566 38.460 -0.062 0.000 0.980 314 Y HN 0.635 nan 8.280 nan 0.000 0.530 315 S N -0.833 114.936 115.700 0.115 0.000 2.465 315 S HA -0.138 4.333 4.470 0.001 0.000 0.241 315 S C 1.767 176.481 174.600 0.190 0.000 1.000 315 S CA 1.254 59.516 58.200 0.104 0.000 0.964 315 S CB -0.645 62.643 63.200 0.146 0.000 0.763 315 S HN 0.464 nan 8.310 nan 0.000 0.512 316 L N -0.151 121.150 121.223 0.131 0.000 2.347 316 L HA 0.331 4.672 4.340 0.001 0.000 0.196 316 L C 2.896 179.792 176.870 0.043 0.000 1.072 316 L CA 0.537 55.458 54.840 0.135 0.000 0.817 316 L CB -0.411 41.722 42.059 0.124 0.000 1.029 316 L HN 0.221 nan 8.230 nan 0.000 0.478 317 R N 0.024 120.509 120.500 -0.025 0.000 2.148 317 R HA -0.086 4.254 4.340 0.001 0.000 0.227 317 R C 1.379 177.594 176.300 -0.142 0.000 1.103 317 R CA 1.293 57.310 56.100 -0.139 0.000 0.983 317 R CB -0.072 30.145 30.300 -0.138 0.000 0.874 317 R HN 0.370 nan 8.270 nan 0.000 0.451 318 C N 0.249 119.495 119.300 -0.090 0.000 2.881 318 C HA 0.249 4.710 4.460 0.001 0.000 0.290 318 C C 1.801 176.808 174.990 0.028 0.000 1.362 318 C CA -0.865 58.116 59.018 -0.062 0.000 1.757 318 C CB -1.079 26.592 27.740 -0.116 0.000 2.265 318 C HN 0.573 nan 8.230 nan 0.000 0.600 319 L N 2.606 123.879 121.223 0.083 0.000 2.012 319 L HA -0.081 4.260 4.340 0.001 0.000 0.210 319 L C -0.677 176.304 176.870 0.186 0.000 1.073 319 L CA 2.353 57.289 54.840 0.159 0.000 0.748 319 L CB -0.945 41.262 42.059 0.246 0.000 0.891 319 L HN 0.161 nan 8.230 nan 0.000 0.431 320 P HA -0.157 nan 4.420 nan 0.000 0.216 320 P C 1.261 178.635 177.300 0.123 0.000 1.153 320 P CA 1.248 64.422 63.100 0.123 0.000 0.848 320 P CB 0.055 31.746 31.700 -0.015 0.000 0.787 321 Q N -1.932 117.951 119.800 0.138 0.000 2.124 321 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 321 Q C 2.088 178.123 176.000 0.057 0.000 0.977 321 Q CA 1.461 57.322 55.803 0.096 0.000 0.850 321 Q CB -1.228 27.557 28.738 0.078 0.000 0.901 321 Q HN 0.337 nan 8.270 nan 0.000 0.429 322 Y N 0.194 120.460 120.300 -0.057 0.000 2.220 322 Y HA -0.090 4.461 4.550 0.001 0.000 0.291 322 Y C 1.526 177.388 175.900 -0.064 0.000 1.129 322 Y CA 1.213 59.250 58.100 -0.105 0.000 1.161 322 Y CB 0.097 38.410 38.460 -0.246 0.000 0.997 322 Y HN 0.028 nan 8.280 nan 0.000 0.522 323 L N -0.755 120.571 121.223 0.170 0.000 2.240 323 L HA -0.035 4.306 4.340 0.001 0.000 0.211 323 L C 2.650 179.523 176.870 0.006 0.000 1.106 323 L CA 0.744 55.660 54.840 0.127 0.000 0.793 323 L CB -1.137 41.064 42.059 0.236 0.000 0.927 323 L HN 0.386 nan 8.230 nan 0.000 0.446 324 G N 1.664 110.465 108.800 0.001 0.000 2.553 324 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 324 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 324 G C -0.727 174.090 174.900 -0.139 0.000 1.195 324 G CA 1.005 46.086 45.100 -0.032 0.000 0.779 324 G HN 0.327 nan 8.290 nan 0.000 0.577 325 P HA 0.037 nan 4.420 nan 0.000 0.220 325 P C 1.834 178.893 177.300 -0.403 0.000 1.148 325 P CA 0.619 63.559 63.100 -0.266 0.000 0.803 325 P CB -0.014 31.540 31.700 -0.243 0.000 0.782 326 I N -1.332 118.993 120.570 -0.408 0.000 2.233 326 I HA -0.172 3.999 4.170 0.001 0.000 0.243 326 I C 2.194 178.027 176.117 -0.473 0.000 1.093 326 I CA 1.189 62.151 61.300 -0.564 0.000 1.380 326 I CB -0.740 37.087 38.000 -0.287 0.000 1.067 326 I HN -0.191 nan 8.210 nan 0.000 0.413 327 V N 0.811 120.564 119.914 -0.268 0.000 2.343 327 V HA -0.288 3.832 4.120 0.001 0.000 0.247 327 V C 2.064 177.973 176.094 -0.308 0.000 1.051 327 V CA 1.968 64.107 62.300 -0.269 0.000 1.036 327 V CB -0.628 31.060 31.823 -0.225 0.000 0.654 327 V HN 0.393 nan 8.190 nan 0.000 0.451 328 D N 0.487 120.728 120.400 -0.264 0.000 2.144 328 D HA -0.095 4.546 4.640 0.001 0.000 0.200 328 D C 2.196 178.372 176.300 -0.207 0.000 0.978 328 D CA 1.583 55.459 54.000 -0.206 0.000 0.833 328 D CB -0.533 40.182 40.800 -0.141 0.000 0.961 328 D HN 0.469 nan 8.370 nan 0.000 0.470 329 G N 0.760 109.350 108.800 -0.350 0.000 2.402 329 G HA2 -0.189 3.772 3.960 0.001 0.000 0.216 329 G HA3 -0.189 3.772 3.960 0.001 0.000 0.216 329 G C 1.797 176.632 174.900 -0.108 0.000 1.162 329 G CA 0.187 45.099 45.100 -0.314 0.000 0.777 329 G HN 0.263 nan 8.290 nan 0.000 0.539 330 I N 1.003 121.435 120.570 -0.230 0.000 2.394 330 I HA -0.146 4.025 4.170 0.001 0.000 0.251 330 I C 2.907 179.003 176.117 -0.034 0.000 1.136 330 I CA 0.872 62.151 61.300 -0.035 0.000 1.425 330 I CB -0.053 37.902 38.000 -0.076 0.000 1.079 330 I HN 0.097 nan 8.210 nan 0.000 0.425 331 S N 0.095 115.732 115.700 -0.106 0.000 2.368 331 S HA -0.237 4.233 4.470 0.001 0.000 0.224 331 S C 1.867 176.448 174.600 -0.032 0.000 1.029 331 S CA 1.262 59.405 58.200 -0.095 0.000 0.988 331 S CB -0.226 62.882 63.200 -0.154 0.000 0.838 331 S HN 0.406 nan 8.310 nan 0.000 0.462 332 Q N 1.545 121.341 119.800 -0.007 0.000 2.050 332 Q HA -0.036 4.305 4.340 0.001 0.000 0.202 332 Q C 1.857 177.905 176.000 0.079 0.000 0.980 332 Q CA 1.626 57.454 55.803 0.042 0.000 0.840 332 Q CB -0.529 28.254 28.738 0.075 0.000 0.898 332 Q HN 0.560 nan 8.270 nan 0.000 0.424 333 I N 0.401 121.043 120.570 0.119 0.000 2.163 333 I HA -0.321 3.849 4.170 0.001 0.000 0.243 333 I C 2.334 178.498 176.117 0.079 0.000 1.085 333 I CA 1.099 62.481 61.300 0.135 0.000 1.347 333 I CB -0.668 37.441 38.000 0.182 0.000 1.044 333 I HN 0.367 nan 8.210 nan 0.000 0.408 334 A N 0.706 123.557 122.820 0.053 0.000 1.892 334 A HA -0.301 4.020 4.320 0.001 0.000 0.218 334 A C 2.404 179.996 177.584 0.013 0.000 1.188 334 A CA 2.202 54.258 52.037 0.032 0.000 0.631 334 A CB -0.635 18.373 19.000 0.014 0.000 0.822 334 A HN 0.386 nan 8.150 nan 0.000 0.447 335 K N -0.538 119.864 120.400 0.004 0.000 2.032 335 K HA -0.226 4.095 4.320 0.001 0.000 0.209 335 K C 2.268 178.845 176.600 -0.038 0.000 1.048 335 K CA 1.808 58.085 56.287 -0.016 0.000 0.927 335 K CB -0.223 32.267 32.500 -0.016 0.000 0.712 335 K HN 0.680 nan 8.250 nan 0.000 0.441 336 Q N 0.089 119.874 119.800 -0.025 0.000 2.079 336 Q HA -0.123 4.217 4.340 0.001 0.000 0.200 336 Q C 2.077 178.026 176.000 -0.085 0.000 0.974 336 Q CA 1.037 56.786 55.803 -0.089 0.000 0.840 336 Q CB 0.003 28.761 28.738 0.033 0.000 0.898 336 Q HN 0.321 nan 8.270 nan 0.000 0.430 337 I N 1.301 121.865 120.570 -0.011 0.000 2.315 337 I HA -0.198 3.973 4.170 0.001 0.000 0.248 337 I C 1.964 178.068 176.117 -0.021 0.000 1.117 337 I CA 1.419 62.719 61.300 0.000 0.000 1.404 337 I CB -0.926 37.092 38.000 0.031 0.000 1.071 337 I HN 0.294 nan 8.210 nan 0.000 0.419 338 E N 0.525 120.709 120.200 -0.026 0.000 2.150 338 E HA -0.149 4.202 4.350 0.001 0.000 0.193 338 E C 2.347 178.916 176.600 -0.052 0.000 0.985 338 E CA 0.905 57.287 56.400 -0.029 0.000 0.814 338 E CB 0.058 29.745 29.700 -0.022 0.000 0.752 338 E HN 0.476 nan 8.360 nan 0.000 0.466 339 I N 0.824 121.343 120.570 -0.084 0.000 2.286 339 I HA -0.210 3.960 4.170 0.001 0.000 0.245 339 I C 2.495 178.551 176.117 -0.102 0.000 1.104 339 I CA 0.897 62.131 61.300 -0.110 0.000 1.397 339 I CB -0.010 37.884 38.000 -0.177 0.000 1.072 339 I HN 0.021 nan 8.210 nan 0.000 0.417 340 E N 1.536 121.675 120.200 -0.101 0.000 2.153 340 E HA -0.182 4.169 4.350 0.001 0.000 0.194 340 E C 2.045 178.623 176.600 -0.036 0.000 0.988 340 E CA 1.271 57.634 56.400 -0.062 0.000 0.811 340 E CB -0.194 29.489 29.700 -0.028 0.000 0.746 340 E HN 0.431 nan 8.360 nan 0.000 0.466 341 I N 0.773 121.323 120.570 -0.033 0.000 2.361 341 I HA -0.208 3.963 4.170 0.001 0.000 0.251 341 I C 1.124 177.220 176.117 -0.034 0.000 1.133 341 I CA 0.902 62.185 61.300 -0.027 0.000 1.413 341 I CB -0.134 37.852 38.000 -0.023 0.000 1.073 341 I HN 0.114 nan 8.210 nan 0.000 0.424 342 N N 0.170 118.847 118.700 -0.039 0.000 2.238 342 N HA 0.147 4.888 4.740 0.001 0.000 0.222 342 N C -0.179 175.308 175.510 -0.037 0.000 1.133 342 N CA 0.094 53.122 53.050 -0.037 0.000 0.854 342 N CB 0.771 39.237 38.487 -0.036 0.000 1.041 342 N HN 0.090 nan 8.380 nan 0.000 0.510 343 S N 0.233 115.910 115.700 -0.038 0.000 2.617 343 S HA 0.406 4.877 4.470 0.001 0.000 0.283 343 S C 0.375 174.963 174.600 -0.020 0.000 1.189 343 S CA -0.567 57.612 58.200 -0.035 0.000 1.036 343 S CB 2.493 65.667 63.200 -0.043 0.000 1.014 343 S HN -0.152 nan 8.310 nan 0.000 0.522 344 V N 2.832 122.739 119.914 -0.012 0.000 2.385 344 V HA 0.266 4.387 4.120 0.001 0.000 0.269 344 V C 1.205 177.307 176.094 0.013 0.000 1.043 344 V CA -0.191 62.114 62.300 0.008 0.000 0.906 344 V CB 0.489 32.321 31.823 0.015 0.000 0.995 344 V HN 1.150 nan 8.190 nan 0.000 0.467 345 T N -0.670 113.903 114.554 0.032 0.000 3.044 345 T HA 0.110 4.460 4.350 0.001 0.000 0.260 345 T C 0.450 175.221 174.700 0.118 0.000 1.019 345 T CA -0.293 61.840 62.100 0.055 0.000 0.921 345 T CB -0.094 68.809 68.868 0.059 0.000 1.053 345 T HN 0.742 nan 8.240 nan 0.000 0.533 346 D N 1.426 121.894 120.400 0.113 0.000 2.447 346 D HA 0.313 4.954 4.640 0.001 0.000 0.265 346 D C -0.420 175.968 176.300 0.147 0.000 1.250 346 D CA -0.551 53.535 54.000 0.143 0.000 1.046 346 D CB 0.731 41.602 40.800 0.119 0.000 1.095 346 D HN 0.261 nan 8.370 nan 0.000 0.555 347 N N -1.028 117.753 118.700 0.135 0.000 2.555 347 N HA 0.295 5.036 4.740 0.001 0.000 0.265 347 N C -2.990 172.512 175.510 -0.014 0.000 1.135 347 N CA -1.189 51.914 53.050 0.087 0.000 0.925 347 N CB 2.331 40.976 38.487 0.263 0.000 1.662 347 N HN 0.117 nan 8.380 nan 0.000 0.489 348 P HA 0.261 nan 4.420 nan 0.000 0.276 348 P C -0.750 176.510 177.300 -0.066 0.000 1.252 348 P CA -0.338 62.628 63.100 -0.224 0.000 0.802 348 P CB 1.102 32.501 31.700 -0.501 0.000 1.035 349 L N 1.649 122.863 121.223 -0.015 0.000 2.312 349 L HA 0.346 4.687 4.340 0.001 0.000 0.281 349 L C 0.487 177.350 176.870 -0.012 0.000 1.070 349 L CA -0.960 53.894 54.840 0.023 0.000 0.805 349 L CB 0.551 42.654 42.059 0.073 0.000 1.174 349 L HN 0.196 nan 8.230 nan 0.000 0.434 350 I N 2.249 122.786 120.570 -0.054 0.000 2.312 350 I HA 0.141 4.312 4.170 0.001 0.000 0.290 350 I C -0.169 175.836 176.117 -0.185 0.000 1.008 350 I CA -0.207 60.980 61.300 -0.188 0.000 1.226 350 I CB 1.015 38.919 38.000 -0.161 0.000 1.371 350 I HN 0.507 nan 8.210 nan 0.000 0.468 351 D N 6.442 126.691 120.400 -0.251 0.000 2.493 351 D HA 0.201 4.841 4.640 0.001 0.000 0.235 351 D C 1.246 177.404 176.300 -0.237 0.000 1.117 351 D CA -0.474 53.457 54.000 -0.116 0.000 0.930 351 D CB 0.919 41.803 40.800 0.140 0.000 1.010 351 D HN 0.340 nan 8.370 nan 0.000 0.514 352 V N 1.354 121.140 119.914 -0.213 0.000 2.255 352 V HA -0.225 3.896 4.120 0.001 0.000 0.247 352 V C 1.527 177.568 176.094 -0.088 0.000 1.051 352 V CA 1.598 63.791 62.300 -0.177 0.000 1.018 352 V CB -0.508 31.262 31.823 -0.088 0.000 0.641 352 V HN 0.318 nan 8.190 nan 0.000 0.445 353 D N 1.036 121.407 120.400 -0.048 0.000 2.280 353 D HA -0.159 4.482 4.640 0.001 0.000 0.206 353 D C 1.462 177.757 176.300 -0.008 0.000 0.988 353 D CA 1.758 55.748 54.000 -0.017 0.000 0.886 353 D CB -0.314 40.482 40.800 -0.006 0.000 0.914 353 D HN 0.632 nan 8.370 nan 0.000 0.473 354 N N 0.355 119.043 118.700 -0.020 0.000 2.197 354 N HA -0.028 4.713 4.740 0.001 0.000 0.228 354 N C -0.434 175.060 175.510 -0.027 0.000 1.212 354 N CA -0.035 53.015 53.050 0.001 0.000 0.883 354 N CB 0.832 39.349 38.487 0.050 0.000 1.107 354 N HN -0.036 nan 8.380 nan 0.000 0.519 355 Q N 0.147 119.907 119.800 -0.066 0.000 2.437 355 Q HA -0.193 4.148 4.340 0.001 0.000 0.354 355 Q C -0.600 175.381 176.000 -0.032 0.000 1.402 355 Q CA 0.604 56.397 55.803 -0.017 0.000 1.020 355 Q CB -1.603 27.210 28.738 0.124 0.000 1.220 355 Q HN 0.527 nan 8.270 nan 0.000 0.368 356 A N -0.121 122.484 122.820 -0.359 0.000 2.612 356 A HA 0.807 5.127 4.320 0.001 0.000 0.293 356 A C -0.513 176.689 177.584 -0.636 0.000 1.075 356 A CA 0.080 51.907 52.037 -0.351 0.000 0.680 356 A CB 1.676 20.459 19.000 -0.362 0.000 1.279 356 A HN 0.606 nan 8.150 nan 0.000 0.411 357 S N -0.104 115.300 115.700 -0.494 0.000 2.526 357 S HA 0.854 5.325 4.470 0.001 0.000 0.293 357 S C -1.274 173.030 174.600 -0.493 0.000 1.092 357 S CA -0.531 57.424 58.200 -0.409 0.000 0.980 357 S CB 0.975 64.156 63.200 -0.033 0.000 1.048 357 S HN 0.659 nan 8.310 nan 0.000 0.483 358 Y N -0.116 120.192 120.300 0.013 0.000 2.446 358 Y HA 0.475 5.026 4.550 0.001 0.000 0.345 358 Y C 0.032 175.944 175.900 0.019 0.000 0.984 358 Y CA -0.943 57.189 58.100 0.053 0.000 1.058 358 Y CB 1.354 39.826 38.460 0.019 0.000 1.220 358 Y HN 0.742 nan 8.280 nan 0.000 0.455 359 H N 1.107 120.291 119.070 0.190 0.000 2.652 359 H HA 0.582 5.139 4.556 0.001 0.000 0.298 359 H C 0.269 175.667 175.328 0.118 0.000 1.076 359 H CA 0.077 56.212 56.048 0.145 0.000 1.360 359 H CB 0.932 30.768 29.762 0.123 0.000 1.421 359 H HN 0.901 nan 8.280 nan 0.000 0.464 360 G N 0.868 109.743 108.800 0.124 0.000 3.086 360 G HA2 0.475 4.436 3.960 0.001 0.000 0.282 360 G HA3 0.475 4.436 3.960 0.001 0.000 0.282 360 G C -0.030 174.776 174.900 -0.157 0.000 1.343 360 G CA -0.548 44.557 45.100 0.009 0.000 0.895 360 G HN 0.620 nan 8.290 nan 0.000 0.557 361 G N -0.320 108.250 108.800 -0.383 0.000 4.637 361 G HA2 0.237 4.198 3.960 0.001 0.000 0.294 361 G HA3 0.237 4.198 3.960 0.001 0.000 0.294 361 G C 0.325 174.663 174.900 -0.938 0.000 1.215 361 G CA -0.219 44.282 45.100 -0.997 0.000 0.943 361 G HN 0.292 nan 8.290 nan 0.000 0.572 362 N N 0.887 119.242 118.700 -0.576 0.000 2.573 362 N HA -0.059 4.681 4.740 0.001 0.000 0.187 362 N C 1.600 176.983 175.510 -0.212 0.000 1.107 362 N CA 0.353 53.228 53.050 -0.290 0.000 0.918 362 N CB -0.212 38.199 38.487 -0.127 0.000 0.966 362 N HN 0.621 nan 8.380 nan 0.000 0.448 363 F N -0.694 119.265 119.950 0.016 0.000 2.748 363 F HA 0.207 4.735 4.527 0.001 0.000 0.299 363 F C 0.675 176.481 175.800 0.010 0.000 1.154 363 F CA -0.675 57.334 58.000 0.014 0.000 1.446 363 F CB -0.840 38.169 39.000 0.014 0.000 1.112 363 F HN -0.155 nan 8.300 nan 0.000 0.584 364 L N 2.173 123.415 121.223 0.031 0.000 2.325 364 L HA 0.526 4.867 4.340 0.001 0.000 0.284 364 L C 0.893 177.788 176.870 0.042 0.000 1.089 364 L CA -0.243 54.642 54.840 0.074 0.000 0.836 364 L CB 0.751 42.787 42.059 -0.039 0.000 1.184 364 L HN 0.223 nan 8.230 nan 0.000 0.444 365 G N 3.270 112.111 108.800 0.069 0.000 3.717 365 G HA2 0.074 4.034 3.960 0.001 0.000 0.258 365 G HA3 0.074 4.034 3.960 0.001 0.000 0.258 365 G C 0.667 175.591 174.900 0.039 0.000 1.088 365 G CA -0.281 44.863 45.100 0.072 0.000 1.737 365 G HN 0.752 nan 8.290 nan 0.000 0.648 366 Q N 0.198 119.991 119.800 -0.011 0.000 2.135 366 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 366 Q C 1.535 177.447 176.000 -0.145 0.000 0.981 366 Q CA 1.630 57.362 55.803 -0.118 0.000 0.856 366 Q CB -0.276 28.336 28.738 -0.211 0.000 0.902 366 Q HN 0.709 nan 8.270 nan 0.000 0.425 367 Y N -1.488 118.783 120.300 -0.048 0.000 2.293 367 Y HA -0.146 4.405 4.550 0.001 0.000 0.291 367 Y C 2.105 177.979 175.900 -0.043 0.000 1.137 367 Y CA 1.094 59.167 58.100 -0.044 0.000 1.202 367 Y CB 0.027 38.471 38.460 -0.026 0.000 0.990 367 Y HN -0.030 nan 8.280 nan 0.000 0.537 368 V N -1.007 118.976 119.914 0.116 0.000 2.407 368 V HA -0.174 3.947 4.120 0.001 0.000 0.245 368 V C 2.486 178.585 176.094 0.008 0.000 1.041 368 V CA 1.774 64.112 62.300 0.064 0.000 1.040 368 V CB -1.304 30.561 31.823 0.069 0.000 0.671 368 V HN 0.507 nan 8.190 nan 0.000 0.455 369 G N -0.239 108.553 108.800 -0.013 0.000 2.433 369 G HA2 -0.272 3.689 3.960 0.001 0.000 0.216 369 G HA3 -0.272 3.689 3.960 0.001 0.000 0.216 369 G C 1.624 176.459 174.900 -0.109 0.000 1.186 369 G CA 1.229 46.304 45.100 -0.042 0.000 0.779 369 G HN 0.427 nan 8.290 nan 0.000 0.543 370 M N 0.736 120.231 119.600 -0.174 0.000 2.200 370 M HA 0.097 4.577 4.480 0.001 0.000 0.265 370 M C 2.846 178.889 176.300 -0.429 0.000 1.066 370 M CA 1.145 56.247 55.300 -0.329 0.000 1.127 370 M CB -0.309 32.079 32.600 -0.354 0.000 1.379 370 M HN 0.277 nan 8.290 nan 0.000 0.420 371 G N 0.506 109.186 108.800 -0.200 0.000 2.446 371 G HA2 -0.195 3.766 3.960 0.001 0.000 0.217 371 G HA3 -0.195 3.766 3.960 0.001 0.000 0.217 371 G C 1.491 176.358 174.900 -0.055 0.000 1.168 371 G CA 0.728 45.781 45.100 -0.079 0.000 0.771 371 G HN 0.247 nan 8.290 nan 0.000 0.551 372 M N 0.757 120.326 119.600 -0.052 0.000 2.319 372 M HA 0.044 4.525 4.480 0.001 0.000 0.265 372 M C 1.879 178.149 176.300 -0.049 0.000 1.068 372 M CA 0.665 55.950 55.300 -0.024 0.000 1.118 372 M CB -0.801 31.793 32.600 -0.011 0.000 1.395 372 M HN 0.090 nan 8.290 nan 0.000 0.435 373 D N -0.202 120.130 120.400 -0.114 0.000 2.084 373 D HA -0.167 4.474 4.640 0.001 0.000 0.194 373 D C 1.942 178.199 176.300 -0.072 0.000 0.990 373 D CA 1.322 55.257 54.000 -0.108 0.000 0.826 373 D CB -0.270 40.422 40.800 -0.180 0.000 0.971 373 D HN 0.323 nan 8.370 nan 0.000 0.453 374 H N 0.041 118.986 119.070 -0.209 0.000 2.352 374 H HA -0.076 4.481 4.556 0.001 0.000 0.299 374 H C 2.166 177.154 175.328 -0.567 0.000 1.097 374 H CA 0.504 56.282 56.048 -0.450 0.000 1.311 374 H CB -0.800 28.733 29.762 -0.382 0.000 1.377 374 H HN 0.102 nan 8.280 nan 0.000 0.504 375 L N 1.090 122.268 121.223 -0.075 0.000 2.013 375 L HA -0.193 4.148 4.340 0.001 0.000 0.212 375 L C 2.442 179.314 176.870 0.003 0.000 1.073 375 L CA 1.661 56.526 54.840 0.042 0.000 0.753 375 L CB -0.269 41.842 42.059 0.087 0.000 0.890 375 L HN 0.069 nan 8.230 nan 0.000 0.432 376 R N -1.977 118.520 120.500 -0.006 0.000 2.081 376 R HA -0.225 4.116 4.340 0.001 0.000 0.235 376 R C 2.294 178.601 176.300 0.011 0.000 1.131 376 R CA 1.766 57.873 56.100 0.012 0.000 0.960 376 R CB -0.851 29.479 30.300 0.050 0.000 0.856 376 R HN 0.465 nan 8.270 nan 0.000 0.436 377 Y N 0.776 120.979 120.300 -0.162 0.000 2.165 377 Y HA -0.294 4.256 4.550 0.000 0.000 0.286 377 Y C 1.793 177.626 175.900 -0.112 0.000 1.155 377 Y CA 1.415 59.411 58.100 -0.173 0.000 1.164 377 Y CB -0.372 37.933 38.460 -0.257 0.000 0.978 377 Y HN -0.022 nan 8.280 nan 0.000 0.513 378 Y N -0.028 120.219 120.300 -0.089 0.000 2.242 378 Y HA -0.200 4.351 4.550 0.002 0.000 0.291 378 Y C 2.536 178.292 175.900 -0.242 0.000 1.137 378 Y CA 1.111 59.081 58.100 -0.217 0.000 1.181 378 Y CB -1.034 37.380 38.460 -0.077 0.000 0.989 378 Y HN 0.171 nan 8.280 nan 0.000 0.527 379 I N -0.552 119.961 120.570 -0.095 0.000 2.226 379 I HA -0.247 3.924 4.170 0.001 0.000 0.245 379 I C 2.659 178.519 176.117 -0.428 0.000 1.100 379 I CA 1.477 62.546 61.300 -0.384 0.000 1.374 379 I CB -0.926 36.846 38.000 -0.380 0.000 1.057 379 I HN 0.264 nan 8.210 nan 0.000 0.413 380 G N 1.172 109.828 108.800 -0.241 0.000 2.440 380 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 380 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 380 G C 1.710 176.520 174.900 -0.150 0.000 1.154 380 G CA 0.592 45.585 45.100 -0.177 0.000 0.767 380 G HN 0.274 nan 8.290 nan 0.000 0.552 381 L N -0.138 120.988 121.223 -0.162 0.000 2.083 381 L HA 0.001 4.342 4.340 0.001 0.000 0.209 381 L C 2.909 179.875 176.870 0.161 0.000 1.083 381 L CA 0.473 55.294 54.840 -0.032 0.000 0.752 381 L CB -0.366 41.565 42.059 -0.213 0.000 0.899 381 L HN 0.185 nan 8.230 nan 0.000 0.433 382 L N -0.494 120.762 121.223 0.055 0.000 2.046 382 L HA -0.202 4.139 4.340 0.001 0.000 0.208 382 L C 2.879 179.861 176.870 0.188 0.000 1.077 382 L CA 1.218 56.174 54.840 0.192 0.000 0.747 382 L CB -0.713 41.401 42.059 0.092 0.000 0.896 382 L HN 0.251 nan 8.230 nan 0.000 0.432 383 A N -0.014 122.768 122.820 -0.062 0.000 1.898 383 A HA -0.249 4.072 4.320 0.001 0.000 0.216 383 A C 2.370 179.893 177.584 -0.103 0.000 1.181 383 A CA 1.904 53.845 52.037 -0.161 0.000 0.620 383 A CB -0.414 18.302 19.000 -0.473 0.000 0.819 383 A HN 0.307 nan 8.150 nan 0.000 0.442 384 K N -1.031 119.359 120.400 -0.018 0.000 2.057 384 K HA -0.228 4.093 4.320 0.001 0.000 0.207 384 K C 2.009 178.678 176.600 0.114 0.000 1.049 384 K CA 1.688 57.999 56.287 0.040 0.000 0.931 384 K CB -0.374 32.160 32.500 0.057 0.000 0.714 384 K HN 0.798 nan 8.250 nan 0.000 0.440 385 H N -0.013 119.069 119.070 0.020 0.000 2.353 385 H HA -0.085 4.472 4.556 0.001 0.000 0.300 385 H C 2.066 177.463 175.328 0.114 0.000 1.090 385 H CA 1.383 57.389 56.048 -0.071 0.000 1.327 385 H CB 0.119 29.775 29.762 -0.176 0.000 1.383 385 H HN 0.159 nan 8.280 nan 0.000 0.508 386 L N 0.303 121.634 121.223 0.179 0.000 2.083 386 L HA -0.182 4.159 4.340 0.001 0.000 0.209 386 L C 2.245 179.201 176.870 0.144 0.000 1.083 386 L CA 1.455 56.353 54.840 0.097 0.000 0.752 386 L CB -0.310 41.901 42.059 0.253 0.000 0.899 386 L HN 0.343 nan 8.230 nan 0.000 0.433 387 D N -0.648 119.874 120.400 0.204 0.000 2.144 387 D HA -0.150 4.491 4.640 0.001 0.000 0.200 387 D C 2.176 178.507 176.300 0.051 0.000 0.978 387 D CA 0.749 54.848 54.000 0.164 0.000 0.833 387 D CB 0.187 41.079 40.800 0.153 0.000 0.961 387 D HN -0.019 nan 8.370 nan 0.000 0.470 388 V N 0.658 120.608 119.914 0.060 0.000 2.490 388 V HA -0.205 3.916 4.120 0.001 0.000 0.250 388 V C 2.341 178.448 176.094 0.022 0.000 1.061 388 V CA 1.270 63.588 62.300 0.030 0.000 1.064 388 V CB -0.339 31.506 31.823 0.037 0.000 0.670 388 V HN 0.283 nan 8.190 nan 0.000 0.461 389 Q N -0.427 119.398 119.800 0.041 0.000 2.046 389 Q HA -0.100 4.241 4.340 0.001 0.000 0.200 389 Q C 2.266 178.253 176.000 -0.021 0.000 0.975 389 Q CA 1.666 57.490 55.803 0.035 0.000 0.836 389 Q CB -0.348 28.416 28.738 0.042 0.000 0.896 389 Q HN 0.565 nan 8.270 nan 0.000 0.428 390 I N 0.885 121.386 120.570 -0.115 0.000 2.264 390 I HA -0.268 3.902 4.170 0.001 0.000 0.248 390 I C 2.338 178.327 176.117 -0.212 0.000 1.111 390 I CA 1.031 62.136 61.300 -0.326 0.000 1.382 390 I CB -0.438 37.193 38.000 -0.614 0.000 1.060 390 I HN 0.073 nan 8.210 nan 0.000 0.418 391 A N 0.899 123.661 122.820 -0.096 0.000 1.933 391 A HA -0.148 4.173 4.320 0.001 0.000 0.218 391 A C 2.290 179.923 177.584 0.081 0.000 1.175 391 A CA 1.356 53.389 52.037 -0.005 0.000 0.628 391 A CB -0.689 18.316 19.000 0.009 0.000 0.814 391 A HN 0.392 nan 8.150 nan 0.000 0.444 392 L N -0.839 120.426 121.223 0.070 0.000 2.072 392 L HA -0.121 4.220 4.340 0.001 0.000 0.205 392 L C 2.519 179.487 176.870 0.164 0.000 1.079 392 L CA 0.854 55.782 54.840 0.145 0.000 0.752 392 L CB -0.531 41.585 42.059 0.096 0.000 0.906 392 L HN 0.356 nan 8.230 nan 0.000 0.436 393 L N -0.214 121.081 121.223 0.121 0.000 2.083 393 L HA -0.179 4.162 4.340 0.001 0.000 0.209 393 L C 2.730 179.717 176.870 0.196 0.000 1.083 393 L CA 1.209 56.147 54.840 0.164 0.000 0.752 393 L CB -0.624 41.553 42.059 0.195 0.000 0.899 393 L HN 0.246 nan 8.230 nan 0.000 0.433 394 A N -1.228 121.702 122.820 0.183 0.000 2.072 394 A HA 0.034 4.355 4.320 0.001 0.000 0.216 394 A C 1.141 178.811 177.584 0.143 0.000 1.156 394 A CA 0.344 52.505 52.037 0.208 0.000 0.701 394 A CB -0.094 19.035 19.000 0.215 0.000 0.816 394 A HN 0.325 nan 8.150 nan 0.000 0.458 395 S N 0.787 116.572 115.700 0.141 0.000 2.429 395 S HA 0.397 4.868 4.470 0.001 0.000 0.302 395 S C -2.142 172.481 174.600 0.038 0.000 1.115 395 S CA -1.061 57.195 58.200 0.093 0.000 1.095 395 S CB 1.502 64.791 63.200 0.150 0.000 0.987 395 S HN 0.077 nan 8.310 nan 0.000 0.474 396 P HA -0.144 nan 4.420 nan 0.000 0.216 396 P C 0.838 178.075 177.300 -0.104 0.000 1.150 396 P CA 1.094 64.177 63.100 -0.029 0.000 0.843 396 P CB 0.133 31.813 31.700 -0.034 0.000 0.787 397 E N -1.998 118.042 120.200 -0.267 0.000 2.265 397 E HA -0.121 4.230 4.350 0.001 0.000 0.196 397 E C 0.890 177.166 176.600 -0.541 0.000 0.996 397 E CA 1.119 57.214 56.400 -0.509 0.000 0.832 397 E CB -0.545 28.630 29.700 -0.874 0.000 0.756 397 E HN 0.379 nan 8.360 nan 0.000 0.491 398 F N -1.473 118.498 119.950 0.034 0.000 2.767 398 F HA 0.198 4.725 4.527 0.001 0.000 0.323 398 F C 1.622 177.451 175.800 0.048 0.000 1.091 398 F CA 0.019 58.041 58.000 0.037 0.000 1.192 398 F CB 0.106 39.126 39.000 0.033 0.000 1.056 398 F HN -0.072 nan 8.300 nan 0.000 0.571 399 S N -0.745 115.063 115.700 0.181 0.000 2.603 399 S HA -0.007 4.464 4.470 0.001 0.000 0.220 399 S C 0.513 175.183 174.600 0.116 0.000 0.967 399 S CA 0.032 58.320 58.200 0.148 0.000 0.920 399 S CB -0.700 62.577 63.200 0.128 0.000 0.773 399 S HN 0.361 nan 8.310 nan 0.000 0.529 400 N N 1.347 120.109 118.700 0.103 0.000 2.738 400 N HA -0.166 4.575 4.740 0.001 0.000 0.249 400 N C 0.750 176.300 175.510 0.066 0.000 1.047 400 N CA 1.025 54.123 53.050 0.080 0.000 0.707 400 N CB -1.738 36.800 38.487 0.085 0.000 0.937 400 N HN 1.060 nan 8.380 nan 0.000 0.545 401 G N -1.696 107.139 108.800 0.057 0.000 2.176 401 G HA2 -0.274 3.687 3.960 0.001 0.000 0.232 401 G HA3 -0.274 3.687 3.960 0.001 0.000 0.232 401 G C 0.117 175.060 174.900 0.072 0.000 0.986 401 G CA 0.233 45.366 45.100 0.055 0.000 0.643 401 G HN 0.373 nan 8.290 nan 0.000 0.522 402 L N 1.010 122.283 121.223 0.085 0.000 2.439 402 L HA 0.428 4.769 4.340 0.001 0.000 0.261 402 L C -1.614 175.307 176.870 0.086 0.000 1.153 402 L CA -2.003 52.897 54.840 0.101 0.000 0.808 402 L CB 0.534 42.665 42.059 0.119 0.000 1.126 402 L HN -0.099 nan 8.230 nan 0.000 0.460 403 P HA 0.073 nan 4.420 nan 0.000 0.269 403 P C -2.456 174.876 177.300 0.053 0.000 1.215 403 P CA -0.925 62.211 63.100 0.060 0.000 0.780 403 P CB -0.131 31.600 31.700 0.052 0.000 0.898 404 P HA -0.086 nan 4.420 nan 0.000 0.263 404 P C -0.251 177.074 177.300 0.042 0.000 1.195 404 P CA 0.663 63.785 63.100 0.035 0.000 0.762 404 P CB 0.183 31.891 31.700 0.013 0.000 0.799 405 S N 1.650 117.400 115.700 0.083 0.000 3.521 405 S HA -0.202 4.269 4.470 0.001 0.000 0.328 405 S C 0.878 175.511 174.600 0.056 0.000 1.165 405 S CA 0.840 59.104 58.200 0.107 0.000 0.941 405 S CB -2.079 61.159 63.200 0.062 0.000 0.951 405 S HN 0.682 nan 8.310 nan 0.000 0.539 406 L N -2.858 118.407 121.223 0.070 0.000 3.839 406 L HA -0.230 4.111 4.340 0.001 0.000 0.416 406 L C 0.550 177.401 176.870 -0.032 0.000 1.195 406 L CA 0.397 55.257 54.840 0.034 0.000 0.946 406 L CB -1.549 40.519 42.059 0.015 0.000 1.891 406 L HN 0.559 nan 8.230 nan 0.000 0.963 407 L N 0.570 121.768 121.223 -0.041 0.000 2.554 407 L HA 0.276 4.617 4.340 0.001 0.000 0.293 407 L C 1.410 178.213 176.870 -0.111 0.000 1.252 407 L CA 1.647 56.429 54.840 -0.096 0.000 0.862 407 L CB 1.020 43.023 42.059 -0.093 0.000 1.113 407 L HN 0.136 nan 8.230 nan 0.000 0.510 408 G N 2.734 111.418 108.800 -0.194 0.000 2.724 408 G HA2 -0.087 3.874 3.960 0.001 0.000 0.217 408 G HA3 -0.087 3.874 3.960 0.001 0.000 0.217 408 G C 0.152 174.737 174.900 -0.525 0.000 1.251 408 G CA 0.225 45.200 45.100 -0.208 0.000 0.867 408 G HN 0.703 nan 8.290 nan 0.000 0.590 409 N N 1.179 119.260 118.700 -1.031 0.000 2.555 409 N HA 0.103 4.844 4.740 0.001 0.000 0.244 409 N C 1.751 176.873 175.510 -0.646 0.000 1.114 409 N CA -0.333 51.837 53.050 -1.467 0.000 0.963 409 N CB 0.538 37.785 38.487 -2.066 0.000 1.276 409 N HN 0.423 nan 8.380 nan 0.000 0.510 410 R N 1.923 122.190 120.500 -0.389 0.000 2.200 410 R HA -0.182 4.159 4.340 0.001 0.000 0.234 410 R C 1.338 177.536 176.300 -0.170 0.000 1.127 410 R CA 1.377 57.357 56.100 -0.199 0.000 0.989 410 R CB -0.205 30.042 30.300 -0.088 0.000 0.869 410 R HN 0.589 nan 8.270 nan 0.000 0.459 411 E N 1.487 121.572 120.200 -0.193 0.000 2.058 411 E HA -0.143 4.208 4.350 0.001 0.000 0.194 411 E C 0.362 176.884 176.600 -0.130 0.000 0.997 411 E CA 0.849 57.178 56.400 -0.118 0.000 0.801 411 E CB 0.112 29.765 29.700 -0.079 0.000 0.746 411 E HN 0.267 nan 8.360 nan 0.000 0.450 412 R N 1.371 121.752 120.500 -0.198 0.000 2.351 412 R HA 0.034 4.375 4.340 0.001 0.000 0.321 412 R C 0.699 176.913 176.300 -0.143 0.000 1.182 412 R CA -0.309 55.693 56.100 -0.164 0.000 1.011 412 R CB 0.442 30.618 30.300 -0.206 0.000 1.048 412 R HN 0.047 nan 8.270 nan 0.000 0.490 413 K N 1.572 121.913 120.400 -0.099 0.000 2.360 413 K HA -0.116 4.205 4.320 0.001 0.000 0.201 413 K C 1.712 178.264 176.600 -0.080 0.000 1.046 413 K CA 1.066 57.305 56.287 -0.080 0.000 0.940 413 K CB -0.125 32.341 32.500 -0.056 0.000 0.748 413 K HN 0.454 nan 8.250 nan 0.000 0.465 414 V N -1.177 118.684 119.914 -0.087 0.000 2.788 414 V HA 0.018 4.139 4.120 0.001 0.000 0.251 414 V C 0.670 176.707 176.094 -0.095 0.000 1.068 414 V CA 0.015 62.267 62.300 -0.080 0.000 1.090 414 V CB -0.505 31.274 31.823 -0.073 0.000 0.710 414 V HN 0.058 nan 8.190 nan 0.000 0.467 415 N N 1.606 120.229 118.700 -0.128 0.000 2.412 415 N HA 0.138 4.878 4.740 0.001 0.000 0.254 415 N C 0.441 175.880 175.510 -0.117 0.000 1.232 415 N CA 0.481 53.443 53.050 -0.147 0.000 0.880 415 N CB 1.062 39.419 38.487 -0.216 0.000 1.076 415 N HN 0.328 nan 8.380 nan 0.000 0.458 416 M N 0.769 120.305 119.600 -0.106 0.000 2.347 416 M HA 0.163 4.644 4.480 0.001 0.000 0.324 416 M C 1.203 177.455 176.300 -0.081 0.000 1.028 416 M CA -0.223 55.030 55.300 -0.078 0.000 0.988 416 M CB -0.680 31.886 32.600 -0.057 0.000 1.528 416 M HN 0.705 nan 8.290 nan 0.000 0.550 417 G N 2.166 110.895 108.800 -0.119 0.000 2.591 417 G HA2 -0.301 3.659 3.960 0.001 0.000 0.298 417 G HA3 -0.301 3.659 3.960 0.001 0.000 0.298 417 G C 0.361 175.171 174.900 -0.151 0.000 1.195 417 G CA 0.087 45.105 45.100 -0.138 0.000 0.989 417 G HN 0.432 nan 8.290 nan 0.000 0.551 418 L N 1.461 122.586 121.223 -0.164 0.000 2.848 418 L HA 0.280 4.621 4.340 0.001 0.000 0.240 418 L C 2.311 179.179 176.870 -0.003 0.000 1.232 418 L CA 0.574 55.283 54.840 -0.218 0.000 1.031 418 L CB 0.175 41.850 42.059 -0.640 0.000 1.338 418 L HN 0.671 nan 8.230 nan 0.000 0.509 419 K N 1.328 121.741 120.400 0.022 0.000 2.063 419 K HA -0.148 4.173 4.320 0.001 0.000 0.208 419 K C 1.978 178.625 176.600 0.079 0.000 1.048 419 K CA 1.688 58.020 56.287 0.075 0.000 0.928 419 K CB -0.089 32.430 32.500 0.032 0.000 0.713 419 K HN 0.371 nan 8.250 nan 0.000 0.442 420 G N 1.294 110.112 108.800 0.031 0.000 2.408 420 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 420 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 420 G C 1.392 176.331 174.900 0.064 0.000 1.150 420 G CA 0.645 45.763 45.100 0.030 0.000 0.776 420 G HN 0.298 nan 8.290 nan 0.000 0.542 421 L N 0.455 121.719 121.223 0.068 0.000 2.083 421 L HA -0.040 4.300 4.340 0.001 0.000 0.209 421 L C 2.791 179.840 176.870 0.298 0.000 1.083 421 L CA 2.404 57.324 54.840 0.133 0.000 0.752 421 L CB -0.520 41.557 42.059 0.029 0.000 0.899 421 L HN 0.416 nan 8.230 nan 0.000 0.433 422 Q N -0.540 119.492 119.800 0.386 0.000 2.079 422 Q HA -0.199 4.142 4.340 0.001 0.000 0.200 422 Q C 2.268 178.346 176.000 0.130 0.000 0.974 422 Q CA 2.038 57.993 55.803 0.252 0.000 0.840 422 Q CB -0.196 28.672 28.738 0.217 0.000 0.898 422 Q HN 0.645 nan 8.270 nan 0.000 0.430 423 I N 0.331 120.972 120.570 0.119 0.000 2.264 423 I HA -0.338 3.833 4.170 0.001 0.000 0.248 423 I C 2.718 178.889 176.117 0.090 0.000 1.111 423 I CA 0.807 62.158 61.300 0.086 0.000 1.382 423 I CB -0.458 37.581 38.000 0.065 0.000 1.060 423 I HN 0.468 nan 8.210 nan 0.000 0.418 424 C N 1.277 120.635 119.300 0.097 0.000 2.446 424 C HA -0.070 4.391 4.460 0.001 0.000 0.277 424 C C 2.999 178.067 174.990 0.130 0.000 1.275 424 C CA 1.192 60.267 59.018 0.096 0.000 1.727 424 C CB -1.555 26.233 27.740 0.081 0.000 2.010 424 C HN 0.632 nan 8.230 nan 0.000 0.486 425 G N 0.060 108.939 108.800 0.132 0.000 2.418 425 G HA2 -0.228 3.732 3.960 0.001 0.000 0.217 425 G HA3 -0.228 3.732 3.960 0.001 0.000 0.217 425 G C 1.438 176.505 174.900 0.278 0.000 1.158 425 G CA 1.048 46.263 45.100 0.192 0.000 0.771 425 G HN 0.780 nan 8.290 nan 0.000 0.545 426 N N 0.500 119.297 118.700 0.162 0.000 2.364 426 N HA -0.105 4.636 4.740 0.001 0.000 0.183 426 N C 2.310 177.890 175.510 0.116 0.000 1.022 426 N CA 1.159 54.285 53.050 0.127 0.000 0.883 426 N CB 0.004 38.541 38.487 0.083 0.000 0.965 426 N HN 0.481 nan 8.380 nan 0.000 0.438 427 S N -0.067 115.705 115.700 0.122 0.000 2.478 427 S HA 0.134 4.605 4.470 0.001 0.000 0.222 427 S C 1.701 176.372 174.600 0.118 0.000 1.008 427 S CA 0.064 58.323 58.200 0.097 0.000 0.928 427 S CB -0.060 63.188 63.200 0.079 0.000 0.781 427 S HN 0.212 nan 8.310 nan 0.000 0.518 428 I N 0.948 121.626 120.570 0.180 0.000 2.494 428 I HA 0.008 4.179 4.170 0.001 0.000 0.250 428 I C 2.784 178.988 176.117 0.145 0.000 1.112 428 I CA 0.753 62.178 61.300 0.208 0.000 1.438 428 I CB -0.281 37.921 38.000 0.337 0.000 1.111 428 I HN 0.302 nan 8.210 nan 0.000 0.431 429 M N 1.949 121.606 119.600 0.096 0.000 2.080 429 M HA -0.139 4.342 4.480 0.001 0.000 0.260 429 M C -0.775 175.524 176.300 -0.002 0.000 1.068 429 M CA 2.577 57.825 55.300 -0.087 0.000 1.109 429 M CB -1.633 30.897 32.600 -0.118 0.000 1.342 429 M HN -0.029 nan 8.290 nan 0.000 0.405 430 P HA -0.128 nan 4.420 nan 0.000 0.218 430 P C 1.679 179.043 177.300 0.106 0.000 1.149 430 P CA 0.889 64.027 63.100 0.064 0.000 0.817 430 P CB -0.313 31.421 31.700 0.056 0.000 0.785 431 L N -0.993 120.297 121.223 0.111 0.000 2.093 431 L HA -0.104 4.237 4.340 0.001 0.000 0.208 431 L C 2.062 179.112 176.870 0.301 0.000 1.085 431 L CA 1.704 56.643 54.840 0.165 0.000 0.755 431 L CB -1.277 40.880 42.059 0.163 0.000 0.904 431 L HN -0.110 nan 8.230 nan 0.000 0.435 432 L N -0.904 120.444 121.223 0.208 0.000 2.093 432 L HA -0.180 4.161 4.340 0.001 0.000 0.208 432 L C 2.467 179.419 176.870 0.138 0.000 1.085 432 L CA 1.662 56.608 54.840 0.177 0.000 0.755 432 L CB -1.010 41.050 42.059 0.001 0.000 0.904 432 L HN 0.494 nan 8.230 nan 0.000 0.435 433 T N -3.165 111.446 114.554 0.095 0.000 2.951 433 T HA -0.208 4.143 4.350 0.001 0.000 0.268 433 T C 1.705 176.462 174.700 0.095 0.000 1.073 433 T CA 0.658 62.799 62.100 0.068 0.000 1.134 433 T CB -0.592 68.305 68.868 0.049 0.000 0.884 433 T HN 0.248 nan 8.240 nan 0.000 0.479 434 F N 1.228 121.172 119.950 -0.010 0.000 2.134 434 F HA 0.000 4.534 4.527 0.011 0.000 0.299 434 F C 1.882 177.612 175.800 -0.118 0.000 1.097 434 F CA 0.859 58.805 58.000 -0.090 0.000 1.264 434 F CB -0.415 38.480 39.000 -0.175 0.000 1.001 434 F HN 0.075 nan 8.300 nan 0.000 0.479 435 Y N 0.364 120.746 120.300 0.137 0.000 2.571 435 Y HA 0.069 4.620 4.550 0.001 0.000 0.294 435 Y C 2.491 178.365 175.900 -0.044 0.000 1.141 435 Y CA 0.921 59.045 58.100 0.040 0.000 1.308 435 Y CB -0.962 37.568 38.460 0.116 0.000 1.002 435 Y HN 0.137 nan 8.280 nan 0.000 0.551 436 G N -0.446 108.405 108.800 0.085 0.000 2.848 436 G HA2 -0.127 3.834 3.960 0.001 0.000 0.208 436 G HA3 -0.127 3.834 3.960 0.001 0.000 0.208 436 G C 0.694 175.612 174.900 0.030 0.000 1.152 436 G CA -0.150 44.997 45.100 0.079 0.000 0.789 436 G HN 0.152 nan 8.290 nan 0.000 0.531 437 N N 0.734 119.373 118.700 -0.101 0.000 2.399 437 N HA 0.185 4.926 4.740 0.001 0.000 0.250 437 N C 0.543 175.990 175.510 -0.106 0.000 1.272 437 N CA 0.272 53.228 53.050 -0.157 0.000 0.928 437 N CB 1.154 39.443 38.487 -0.331 0.000 1.158 437 N HN 0.277 nan 8.380 nan 0.000 0.463 438 S N -0.245 115.393 115.700 -0.103 0.000 2.690 438 S HA 0.526 4.997 4.470 0.001 0.000 0.291 438 S C 0.740 175.305 174.600 -0.058 0.000 1.138 438 S CA -0.702 57.451 58.200 -0.077 0.000 1.013 438 S CB 1.643 64.792 63.200 -0.086 0.000 1.053 438 S HN 0.642 nan 8.310 nan 0.000 0.539 439 I N -0.532 120.020 120.570 -0.031 0.000 4.730 439 I HA 0.264 4.435 4.170 0.001 0.000 0.332 439 I C 1.991 178.127 176.117 0.031 0.000 1.299 439 I CA 0.148 61.448 61.300 -0.001 0.000 1.294 439 I CB -0.132 37.880 38.000 0.020 0.000 1.317 439 I HN 0.820 nan 8.210 nan 0.000 0.457 440 A N 1.179 124.009 122.820 0.016 0.000 1.972 440 A HA -0.235 4.086 4.320 0.001 0.000 0.219 440 A C 1.779 179.464 177.584 0.169 0.000 1.169 440 A CA 2.031 54.099 52.037 0.052 0.000 0.635 440 A CB -0.553 18.429 19.000 -0.030 0.000 0.810 440 A HN 0.660 nan 8.150 nan 0.000 0.446 441 D N -0.664 119.792 120.400 0.094 0.000 2.347 441 D HA -0.096 4.545 4.640 0.001 0.000 0.215 441 D C 1.271 177.568 176.300 -0.004 0.000 0.976 441 D CA 0.431 54.483 54.000 0.087 0.000 0.884 441 D CB -0.387 40.415 40.800 0.003 0.000 0.915 441 D HN 0.473 nan 8.370 nan 0.000 0.526 442 R N 0.518 121.029 120.500 0.019 0.000 2.480 442 R HA 0.176 4.517 4.340 0.001 0.000 0.277 442 R C 0.030 176.318 176.300 -0.019 0.000 1.008 442 R CA -0.514 55.559 56.100 -0.046 0.000 1.090 442 R CB -0.350 29.936 30.300 -0.023 0.000 1.234 442 R HN 0.206 nan 8.270 nan 0.000 0.549 443 F N 1.371 121.303 119.950 -0.030 0.000 2.518 443 F HA 0.300 4.828 4.527 0.001 0.000 0.359 443 F C -2.036 173.729 175.800 -0.057 0.000 1.118 443 F CA -3.010 54.965 58.000 -0.041 0.000 1.287 443 F CB -0.200 38.777 39.000 -0.038 0.000 1.132 443 F HN -0.130 nan 8.300 nan 0.000 0.587 444 P HA 0.109 nan 4.420 nan 0.000 0.287 444 P C 0.337 177.550 177.300 -0.144 0.000 1.294 444 P CA -0.352 62.641 63.100 -0.180 0.000 0.776 444 P CB 1.369 32.850 31.700 -0.365 0.000 0.889 445 T N -1.396 113.106 114.554 -0.086 0.000 3.113 445 T HA -0.087 4.264 4.350 0.001 0.000 0.256 445 T C 1.216 175.940 174.700 0.041 0.000 1.131 445 T CA 0.636 62.780 62.100 0.072 0.000 1.074 445 T CB -0.827 68.102 68.868 0.102 0.000 0.944 445 T HN 0.568 nan 8.240 nan 0.000 0.516 446 H N 0.126 119.151 119.070 -0.073 0.000 2.520 446 H HA 0.643 5.200 4.556 0.000 0.000 0.284 446 H C 0.627 175.633 175.328 -0.537 0.000 1.037 446 H CA -0.360 55.406 56.048 -0.471 0.000 1.168 446 H CB -0.673 28.774 29.762 -0.526 0.000 1.497 446 H HN 0.429 nan 8.280 nan 0.000 0.547 447 A N 1.985 124.499 122.820 -0.510 0.000 2.540 447 A HA 0.009 4.329 4.320 0.001 0.000 0.239 447 A C 0.781 178.256 177.584 -0.182 0.000 1.061 447 A CA 0.227 52.074 52.037 -0.316 0.000 0.758 447 A CB -0.039 18.844 19.000 -0.195 0.000 0.991 447 A HN 0.605 nan 8.150 nan 0.000 0.502 448 E N 1.646 121.770 120.200 -0.127 0.000 2.369 448 E HA -0.242 4.109 4.350 0.001 0.000 0.165 448 E C -0.044 176.539 176.600 -0.028 0.000 1.622 448 E CA 1.112 57.479 56.400 -0.055 0.000 0.660 448 E CB -1.224 28.462 29.700 -0.022 0.000 1.085 448 E HN 0.946 nan 8.360 nan 0.000 0.346 449 Q N 0.198 119.976 119.800 -0.037 0.000 2.461 449 Q HA -0.265 4.075 4.340 0.001 0.000 0.273 449 Q C -0.101 176.074 176.000 0.291 0.000 1.163 449 Q CA 1.032 56.903 55.803 0.112 0.000 0.929 449 Q CB -1.561 27.245 28.738 0.113 0.000 1.334 449 Q HN 0.716 nan 8.270 nan 0.000 0.499 450 F N -3.823 116.162 119.950 0.059 0.000 2.953 450 F HA -0.367 4.161 4.527 0.002 0.000 0.292 450 F C 1.122 176.953 175.800 0.052 0.000 0.747 450 F CA 1.064 59.102 58.000 0.063 0.000 1.222 450 F CB -1.716 37.324 39.000 0.066 0.000 1.457 450 F HN 0.303 nan 8.300 nan 0.000 0.383 451 N N 0.373 119.166 118.700 0.155 0.000 2.290 451 N HA -0.041 4.700 4.740 0.001 0.000 0.179 451 N C 0.775 176.342 175.510 0.095 0.000 1.016 451 N CA 0.993 54.113 53.050 0.117 0.000 0.871 451 N CB -0.082 38.454 38.487 0.082 0.000 0.987 451 N HN 0.554 nan 8.380 nan 0.000 0.431 452 Q N 1.981 121.816 119.800 0.059 0.000 3.135 452 Q HA 0.117 4.458 4.340 0.001 0.000 0.344 452 Q C 0.217 176.250 176.000 0.056 0.000 1.321 452 Q CA -0.383 55.449 55.803 0.048 0.000 1.050 452 Q CB -0.082 28.662 28.738 0.009 0.000 1.498 452 Q HN 0.341 nan 8.270 nan 0.000 0.503 453 N N 0.978 119.740 118.700 0.103 0.000 2.573 453 N HA -0.091 4.650 4.740 0.001 0.000 0.187 453 N C 0.473 176.111 175.510 0.213 0.000 1.107 453 N CA 0.577 53.722 53.050 0.158 0.000 0.918 453 N CB -0.139 38.457 38.487 0.182 0.000 0.966 453 N HN 0.494 nan 8.380 nan 0.000 0.448 454 I N -3.182 117.422 120.570 0.057 0.000 2.686 454 I HA 0.606 4.777 4.170 0.001 0.000 0.295 454 I C -1.637 174.308 176.117 -0.287 0.000 1.114 454 I CA -1.238 59.915 61.300 -0.245 0.000 1.038 454 I CB 2.334 40.160 38.000 -0.290 0.000 1.238 454 I HN -0.030 nan 8.210 nan 0.000 0.420 455 N N 1.576 119.955 118.700 -0.536 0.000 2.823 455 N HA 0.375 5.116 4.740 0.001 0.000 0.251 455 N C -0.179 175.136 175.510 -0.325 0.000 1.392 455 N CA -0.351 52.550 53.050 -0.249 0.000 0.864 455 N CB 1.735 40.181 38.487 -0.068 0.000 1.481 455 N HN 0.591 nan 8.380 nan 0.000 0.508 456 S N -1.304 114.310 115.700 -0.143 0.000 2.503 456 S HA -0.030 4.441 4.470 0.001 0.000 0.217 456 S C 0.282 174.872 174.600 -0.017 0.000 0.999 456 S CA 0.102 58.236 58.200 -0.109 0.000 0.914 456 S CB -0.451 62.712 63.200 -0.062 0.000 0.782 456 S HN 0.554 nan 8.310 nan 0.000 0.520 457 Q N -0.181 119.640 119.800 0.034 0.000 2.468 457 Q HA -0.173 4.168 4.340 0.001 0.000 0.256 457 Q C 1.059 177.111 176.000 0.087 0.000 0.984 457 Q CA 0.865 56.717 55.803 0.081 0.000 1.110 457 Q CB -2.343 26.448 28.738 0.088 0.000 1.527 457 Q HN 0.730 nan 8.270 nan 0.000 0.535 458 G N -0.416 108.434 108.800 0.083 0.000 2.442 458 G HA2 -0.294 3.666 3.960 0.001 0.000 0.219 458 G HA3 -0.294 3.666 3.960 0.001 0.000 0.219 458 G C 0.968 175.949 174.900 0.136 0.000 1.141 458 G CA 1.018 46.170 45.100 0.087 0.000 0.763 458 G HN 0.474 nan 8.290 nan 0.000 0.554 459 Y N 2.406 122.733 120.300 0.045 0.000 2.114 459 Y HA -0.193 4.357 4.550 0.001 0.000 0.284 459 Y C 3.290 179.232 175.900 0.070 0.000 1.143 459 Y CA 2.470 60.604 58.100 0.057 0.000 1.135 459 Y CB -0.565 37.935 38.460 0.068 0.000 0.980 459 Y HN 0.284 nan 8.280 nan 0.000 0.499 460 T N -3.274 111.393 114.554 0.189 0.000 2.915 460 T HA -0.155 4.195 4.350 0.001 0.000 0.269 460 T C 2.181 176.912 174.700 0.052 0.000 1.071 460 T CA 1.212 63.380 62.100 0.114 0.000 1.132 460 T CB -0.825 68.149 68.868 0.177 0.000 0.878 460 T HN 0.294 nan 8.240 nan 0.000 0.479 461 S N 1.398 117.128 115.700 0.049 0.000 2.368 461 S HA 0.022 4.493 4.470 0.001 0.000 0.225 461 S C 2.446 177.044 174.600 -0.004 0.000 1.030 461 S CA 1.187 59.402 58.200 0.025 0.000 0.999 461 S CB -0.875 62.331 63.200 0.012 0.000 0.844 461 S HN 0.720 nan 8.310 nan 0.000 0.459 462 A N 0.841 123.643 122.820 -0.031 0.000 1.898 462 A HA -0.076 4.245 4.320 0.001 0.000 0.216 462 A C 2.443 179.968 177.584 -0.097 0.000 1.181 462 A CA 2.323 54.323 52.037 -0.062 0.000 0.620 462 A CB -1.600 17.352 19.000 -0.081 0.000 0.819 462 A HN 0.756 nan 8.150 nan 0.000 0.442 463 T N -1.488 112.975 114.554 -0.152 0.000 2.821 463 T HA -0.051 4.300 4.350 0.001 0.000 0.267 463 T C 1.835 176.497 174.700 -0.063 0.000 1.046 463 T CA 1.362 63.378 62.100 -0.139 0.000 1.139 463 T CB -0.539 68.229 68.868 -0.167 0.000 0.871 463 T HN 0.272 nan 8.240 nan 0.000 0.454 464 L N 0.950 122.166 121.223 -0.012 0.000 2.046 464 L HA 0.013 4.353 4.340 0.001 0.000 0.208 464 L C 3.330 180.162 176.870 -0.063 0.000 1.077 464 L CA 1.285 56.134 54.840 0.015 0.000 0.747 464 L CB -0.755 41.373 42.059 0.114 0.000 0.896 464 L HN 0.396 nan 8.230 nan 0.000 0.432 465 A N 0.014 122.813 122.820 -0.035 0.000 1.933 465 A HA -0.255 4.066 4.320 0.001 0.000 0.218 465 A C 2.302 179.857 177.584 -0.047 0.000 1.175 465 A CA 1.801 53.818 52.037 -0.032 0.000 0.628 465 A CB -0.460 18.536 19.000 -0.006 0.000 0.814 465 A HN 0.307 nan 8.150 nan 0.000 0.444 466 R N 0.120 120.586 120.500 -0.057 0.000 2.092 466 R HA -0.104 4.237 4.340 0.001 0.000 0.231 466 R C 2.077 178.331 176.300 -0.075 0.000 1.119 466 R CA 1.934 58.005 56.100 -0.048 0.000 0.970 466 R CB -0.644 29.621 30.300 -0.058 0.000 0.864 466 R HN 0.387 nan 8.270 nan 0.000 0.440 467 R N 0.106 120.520 120.500 -0.142 0.000 2.081 467 R HA 0.083 4.424 4.340 0.001 0.000 0.235 467 R C 2.095 178.232 176.300 -0.271 0.000 1.131 467 R CA 2.146 58.108 56.100 -0.231 0.000 0.960 467 R CB -0.823 29.253 30.300 -0.374 0.000 0.856 467 R HN 0.266 nan 8.270 nan 0.000 0.436 468 S N -0.506 115.021 115.700 -0.288 0.000 2.359 468 S HA -0.116 4.354 4.470 0.001 0.000 0.224 468 S C 1.920 176.527 174.600 0.011 0.000 1.035 468 S CA 1.454 59.558 58.200 -0.160 0.000 1.018 468 S CB -0.349 62.800 63.200 -0.084 0.000 0.876 468 S HN 0.164 nan 8.310 nan 0.000 0.448 469 V N 2.222 122.158 119.914 0.036 0.000 2.295 469 V HA -0.189 3.932 4.120 0.001 0.000 0.246 469 V C 2.082 178.253 176.094 0.128 0.000 1.049 469 V CA 1.899 64.276 62.300 0.129 0.000 1.024 469 V CB -0.754 31.127 31.823 0.097 0.000 0.648 469 V HN 0.362 nan 8.190 nan 0.000 0.447 470 D N -0.031 120.402 120.400 0.055 0.000 2.123 470 D HA -0.137 4.504 4.640 0.001 0.000 0.196 470 D C 2.027 178.375 176.300 0.079 0.000 0.992 470 D CA 1.394 55.423 54.000 0.049 0.000 0.833 470 D CB -0.230 40.576 40.800 0.010 0.000 0.954 470 D HN 0.402 nan 8.370 nan 0.000 0.455 471 I N -0.097 120.523 120.570 0.084 0.000 2.252 471 I HA -0.239 3.932 4.170 0.001 0.000 0.245 471 I C 2.078 178.346 176.117 0.253 0.000 1.102 471 I CA 0.528 61.910 61.300 0.137 0.000 1.385 471 I CB -0.134 37.933 38.000 0.112 0.000 1.064 471 I HN -0.077 nan 8.210 nan 0.000 0.414 472 F N 1.815 121.813 119.950 0.080 0.000 2.293 472 F HA -0.179 4.349 4.527 0.000 0.000 0.300 472 F C 2.437 178.321 175.800 0.140 0.000 1.086 472 F CA 1.405 59.480 58.000 0.125 0.000 1.375 472 F CB -0.454 38.595 39.000 0.081 0.000 1.045 472 F HN 0.128 nan 8.300 nan 0.000 0.516 473 Q N -0.379 119.463 119.800 0.071 0.000 2.119 473 Q HA -0.181 4.160 4.340 0.001 0.000 0.201 473 Q C 1.927 177.910 176.000 -0.029 0.000 0.972 473 Q CA 1.627 57.402 55.803 -0.046 0.000 0.847 473 Q CB -0.411 28.329 28.738 0.004 0.000 0.903 473 Q HN 0.570 nan 8.270 nan 0.000 0.433 474 N N -0.289 118.441 118.700 0.050 0.000 2.142 474 N HA -0.178 4.563 4.740 0.001 0.000 0.186 474 N C 1.639 177.175 175.510 0.042 0.000 1.023 474 N CA 0.753 53.834 53.050 0.052 0.000 0.852 474 N CB -0.087 38.454 38.487 0.090 0.000 0.998 474 N HN 0.190 nan 8.380 nan 0.000 0.424 475 Y N 1.794 122.108 120.300 0.024 0.000 2.145 475 Y HA -0.176 4.374 4.550 0.000 0.000 0.286 475 Y C 2.140 178.005 175.900 -0.057 0.000 1.145 475 Y CA 1.131 59.258 58.100 0.044 0.000 1.148 475 Y CB -0.347 38.224 38.460 0.185 0.000 0.981 475 Y HN -0.186 nan 8.280 nan 0.000 0.507 476 V N 0.322 120.136 119.914 -0.167 0.000 2.490 476 V HA -0.310 3.811 4.120 0.001 0.000 0.250 476 V C 2.581 178.555 176.094 -0.201 0.000 1.061 476 V CA 1.559 63.697 62.300 -0.270 0.000 1.064 476 V CB -1.462 30.096 31.823 -0.442 0.000 0.670 476 V HN 0.575 nan 8.190 nan 0.000 0.461 477 A N -0.004 122.727 122.820 -0.148 0.000 1.933 477 A HA -0.148 4.173 4.320 0.001 0.000 0.218 477 A C 2.167 179.708 177.584 -0.072 0.000 1.175 477 A CA 1.730 53.714 52.037 -0.088 0.000 0.628 477 A CB -0.449 18.523 19.000 -0.046 0.000 0.814 477 A HN 0.515 nan 8.150 nan 0.000 0.444 478 I N -0.383 120.113 120.570 -0.124 0.000 2.252 478 I HA -0.235 3.936 4.170 0.001 0.000 0.245 478 I C 2.957 179.060 176.117 -0.023 0.000 1.102 478 I CA 0.974 62.230 61.300 -0.073 0.000 1.385 478 I CB -0.335 37.562 38.000 -0.170 0.000 1.064 478 I HN 0.344 nan 8.210 nan 0.000 0.414 479 A N 0.909 123.598 122.820 -0.217 0.000 1.933 479 A HA -0.155 4.165 4.320 0.001 0.000 0.218 479 A C 2.313 179.896 177.584 -0.002 0.000 1.175 479 A CA 1.369 53.328 52.037 -0.130 0.000 0.628 479 A CB -0.799 18.082 19.000 -0.199 0.000 0.814 479 A HN 0.371 nan 8.150 nan 0.000 0.444 480 L N -1.346 119.854 121.223 -0.038 0.000 2.046 480 L HA -0.211 4.130 4.340 0.001 0.000 0.208 480 L C 2.864 179.752 176.870 0.029 0.000 1.077 480 L CA 1.587 56.415 54.840 -0.019 0.000 0.747 480 L CB -0.424 41.598 42.059 -0.061 0.000 0.896 480 L HN 0.429 nan 8.230 nan 0.000 0.432 481 M N -1.593 118.046 119.600 0.066 0.000 2.117 481 M HA -0.226 4.255 4.480 0.001 0.000 0.262 481 M C 2.180 178.573 176.300 0.154 0.000 1.065 481 M CA 1.905 57.291 55.300 0.144 0.000 1.114 481 M CB -0.354 32.348 32.600 0.171 0.000 1.361 481 M HN 0.074 nan 8.290 nan 0.000 0.408 482 F N 0.088 120.074 119.950 0.061 0.000 2.186 482 F HA -0.072 4.455 4.527 0.000 0.000 0.299 482 F C 2.479 178.326 175.800 0.078 0.000 1.090 482 F CA 1.589 59.626 58.000 0.062 0.000 1.307 482 F CB -0.737 38.272 39.000 0.014 0.000 1.019 482 F HN 0.150 nan 8.300 nan 0.000 0.489 483 G N -0.738 108.206 108.800 0.239 0.000 2.408 483 G HA2 -0.168 3.793 3.960 0.001 0.000 0.217 483 G HA3 -0.168 3.793 3.960 0.001 0.000 0.217 483 G C 1.741 176.749 174.900 0.179 0.000 1.150 483 G CA 1.044 46.246 45.100 0.171 0.000 0.776 483 G HN 0.240 nan 8.290 nan 0.000 0.542 484 V N 0.533 120.544 119.914 0.161 0.000 2.379 484 V HA -0.179 3.942 4.120 0.001 0.000 0.245 484 V C 2.744 179.003 176.094 0.276 0.000 1.044 484 V CA 2.213 64.630 62.300 0.197 0.000 1.036 484 V CB -0.249 31.520 31.823 -0.090 0.000 0.664 484 V HN 0.461 nan 8.190 nan 0.000 0.453 485 Q N 0.902 120.873 119.800 0.284 0.000 2.084 485 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 485 Q C 2.113 178.241 176.000 0.212 0.000 0.978 485 Q CA 2.314 58.278 55.803 0.268 0.000 0.844 485 Q CB -0.625 28.191 28.738 0.128 0.000 0.898 485 Q HN 0.552 nan 8.270 nan 0.000 0.426 486 A N 0.041 122.979 122.820 0.196 0.000 1.908 486 A HA -0.167 4.154 4.320 0.001 0.000 0.218 486 A C 2.200 179.888 177.584 0.174 0.000 1.181 486 A CA 2.164 54.313 52.037 0.187 0.000 0.627 486 A CB -1.189 17.931 19.000 0.200 0.000 0.818 486 A HN 0.558 nan 8.150 nan 0.000 0.445 487 V N -2.382 117.635 119.914 0.173 0.000 2.809 487 V HA -0.127 3.994 4.120 0.001 0.000 0.256 487 V C 1.627 177.803 176.094 0.137 0.000 1.080 487 V CA 2.093 64.464 62.300 0.118 0.000 1.102 487 V CB -0.793 31.061 31.823 0.052 0.000 0.705 487 V HN 0.338 nan 8.190 nan 0.000 0.475 488 D N 1.069 121.610 120.400 0.234 0.000 2.149 488 D HA -0.004 4.637 4.640 0.001 0.000 0.201 488 D C 2.111 178.626 176.300 0.360 0.000 0.972 488 D CA 1.476 55.661 54.000 0.309 0.000 0.835 488 D CB -0.158 40.864 40.800 0.370 0.000 0.966 488 D HN 0.454 nan 8.370 nan 0.000 0.476 489 L N 0.117 121.526 121.223 0.311 0.000 2.313 489 L HA -0.013 4.328 4.340 0.001 0.000 0.214 489 L C 2.361 179.373 176.870 0.236 0.000 1.119 489 L CA 0.423 55.457 54.840 0.324 0.000 0.809 489 L CB -0.126 42.080 42.059 0.245 0.000 0.933 489 L HN -0.070 nan 8.230 nan 0.000 0.449 490 R N 0.300 120.895 120.500 0.158 0.000 2.093 490 R HA -0.063 4.277 4.340 0.001 0.000 0.224 490 R C 2.142 178.459 176.300 0.028 0.000 1.101 490 R CA 1.739 57.893 56.100 0.090 0.000 0.979 490 R CB -0.799 29.545 30.300 0.073 0.000 0.877 490 R HN 0.076 nan 8.270 nan 0.000 0.441 491 T N 0.341 114.903 114.554 0.013 0.000 2.746 491 T HA -0.171 4.180 4.350 0.001 0.000 0.267 491 T C 1.288 175.862 174.700 -0.209 0.000 1.039 491 T CA 1.654 63.690 62.100 -0.108 0.000 1.142 491 T CB -0.553 68.248 68.868 -0.112 0.000 0.866 491 T HN 0.327 nan 8.240 nan 0.000 0.444 492 Y N 2.016 122.158 120.300 -0.264 0.000 2.128 492 Y HA -0.129 4.422 4.550 0.002 0.000 0.284 492 Y C 2.461 178.218 175.900 -0.239 0.000 1.154 492 Y CA 1.629 59.480 58.100 -0.415 0.000 1.149 492 Y CB -0.254 37.869 38.460 -0.562 0.000 0.976 492 Y HN 0.014 nan 8.280 nan 0.000 0.505 493 K N 0.329 120.658 120.400 -0.119 0.000 2.211 493 K HA -0.233 4.088 4.320 0.001 0.000 0.204 493 K C 2.270 178.752 176.600 -0.196 0.000 1.047 493 K CA 1.727 57.927 56.287 -0.145 0.000 0.935 493 K CB -0.145 32.366 32.500 0.018 0.000 0.728 493 K HN 0.342 nan 8.250 nan 0.000 0.452 494 K N -0.547 119.744 120.400 -0.182 0.000 2.168 494 K HA -0.046 4.275 4.320 0.001 0.000 0.201 494 K C 1.600 178.084 176.600 -0.194 0.000 1.049 494 K CA 1.575 57.770 56.287 -0.153 0.000 0.974 494 K CB 0.274 32.710 32.500 -0.106 0.000 0.792 494 K HN 0.239 nan 8.250 nan 0.000 0.463 495 T N -4.414 109.970 114.554 -0.284 0.000 2.985 495 T HA 0.259 4.610 4.350 0.001 0.000 0.254 495 T C 1.149 175.686 174.700 -0.271 0.000 1.021 495 T CA 0.535 62.486 62.100 -0.249 0.000 0.957 495 T CB 0.887 69.597 68.868 -0.264 0.000 1.047 495 T HN 0.334 nan 8.240 nan 0.000 0.511 496 G N 1.835 110.337 108.800 -0.496 0.000 2.175 496 G HA2 -0.144 3.817 3.960 0.001 0.000 0.244 496 G HA3 -0.144 3.817 3.960 0.001 0.000 0.244 496 G C -0.068 174.693 174.900 -0.231 0.000 0.982 496 G CA 0.415 45.194 45.100 -0.535 0.000 0.641 496 G HN 1.198 nan 8.290 nan 0.000 0.527 497 H N -3.296 115.665 119.070 -0.182 0.000 2.941 497 H HA 0.720 5.277 4.556 0.001 0.000 0.344 497 H C 0.054 175.305 175.328 -0.129 0.000 1.235 497 H CA -1.500 54.500 56.048 -0.080 0.000 1.149 497 H CB 0.565 30.321 29.762 -0.010 0.000 1.885 497 H HN 0.009 nan 8.280 nan 0.000 0.558 498 Y N -1.094 119.413 120.300 0.344 0.000 2.555 498 Y HA 0.167 4.718 4.550 0.002 0.000 0.259 498 Y C 0.321 176.384 175.900 0.272 0.000 1.179 498 Y CA -0.497 57.739 58.100 0.228 0.000 1.230 498 Y CB 0.707 39.248 38.460 0.135 0.000 1.146 498 Y HN 0.610 nan 8.280 nan 0.000 0.526 499 D N 1.199 121.962 120.400 0.606 0.000 2.483 499 D HA 0.209 4.850 4.640 0.001 0.000 0.220 499 D C 1.186 177.641 176.300 0.260 0.000 1.173 499 D CA 0.154 54.386 54.000 0.386 0.000 0.964 499 D CB 0.939 41.882 40.800 0.238 0.000 1.046 499 D HN 0.348 nan 8.370 nan 0.000 0.517 500 A N 4.406 127.284 122.820 0.097 0.000 2.076 500 A HA -0.198 4.123 4.320 0.001 0.000 0.220 500 A C 2.055 179.493 177.584 -0.244 0.000 1.160 500 A CA 0.935 52.877 52.037 -0.157 0.000 0.653 500 A CB -0.181 18.573 19.000 -0.409 0.000 0.801 500 A HN 0.552 nan 8.150 nan 0.000 0.455 501 R N -0.581 119.819 120.500 -0.167 0.000 2.241 501 R HA -0.068 4.273 4.340 0.001 0.000 0.224 501 R C 2.077 178.357 176.300 -0.033 0.000 1.101 501 R CA 0.955 56.994 56.100 -0.103 0.000 0.995 501 R CB -0.354 29.962 30.300 0.028 0.000 0.870 501 R HN 0.513 nan 8.270 nan 0.000 0.463 502 A N -0.440 122.398 122.820 0.029 0.000 2.123 502 A HA -0.037 4.284 4.320 0.001 0.000 0.214 502 A C 1.682 179.277 177.584 0.018 0.000 1.152 502 A CA 0.618 52.685 52.037 0.051 0.000 0.728 502 A CB 0.112 19.199 19.000 0.145 0.000 0.814 502 A HN 0.399 nan 8.150 nan 0.000 0.464 503 C N -1.474 117.813 119.300 -0.021 0.000 3.545 503 C HA 0.420 4.881 4.460 0.001 0.000 0.368 503 C C 0.812 175.767 174.990 -0.059 0.000 1.400 503 C CA -0.806 58.190 59.018 -0.037 0.000 1.848 503 C CB -1.120 26.593 27.740 -0.046 0.000 2.576 503 C HN 0.453 nan 8.230 nan 0.000 0.683 504 L N 2.585 123.748 121.223 -0.100 0.000 2.452 504 L HA 0.226 4.567 4.340 0.001 0.000 0.267 504 L C 0.840 177.669 176.870 -0.068 0.000 1.188 504 L CA 0.303 55.078 54.840 -0.108 0.000 0.821 504 L CB 0.580 42.523 42.059 -0.194 0.000 1.102 504 L HN 0.349 nan 8.230 nan 0.000 0.470 505 S N 1.284 116.952 115.700 -0.054 0.000 2.562 505 S HA 0.129 4.599 4.470 0.001 0.000 0.281 505 S C -1.902 172.674 174.600 -0.040 0.000 1.333 505 S CA -1.116 57.060 58.200 -0.041 0.000 1.052 505 S CB 0.891 64.066 63.200 -0.041 0.000 0.884 505 S HN 0.416 nan 8.310 nan 0.000 0.506 506 P HA -0.135 nan 4.420 nan 0.000 0.216 506 P C 1.562 178.849 177.300 -0.022 0.000 1.150 506 P CA 1.922 65.007 63.100 -0.025 0.000 0.843 506 P CB -0.163 31.524 31.700 -0.021 0.000 0.787 507 A N -0.563 122.239 122.820 -0.030 0.000 1.902 507 A HA -0.178 4.143 4.320 0.001 0.000 0.217 507 A C 2.203 179.775 177.584 -0.019 0.000 1.181 507 A CA 2.490 54.509 52.037 -0.030 0.000 0.623 507 A CB -1.890 17.082 19.000 -0.048 0.000 0.818 507 A HN 0.347 nan 8.150 nan 0.000 0.443 508 T N -2.935 111.606 114.554 -0.021 0.000 3.067 508 T HA -0.015 4.336 4.350 0.001 0.000 0.261 508 T C 1.630 176.347 174.700 0.028 0.000 1.110 508 T CA 1.076 63.175 62.100 -0.002 0.000 1.113 508 T CB -0.038 68.823 68.868 -0.012 0.000 0.917 508 T HN 0.428 nan 8.240 nan 0.000 0.499 509 E N 2.049 122.252 120.200 0.004 0.000 2.110 509 E HA -0.145 4.206 4.350 0.001 0.000 0.193 509 E C 2.295 178.957 176.600 0.102 0.000 0.988 509 E CA 0.876 57.295 56.400 0.031 0.000 0.804 509 E CB -0.171 29.524 29.700 -0.008 0.000 0.745 509 E HN 0.565 nan 8.360 nan 0.000 0.458 510 R N 0.080 120.609 120.500 0.049 0.000 2.083 510 R HA -0.166 4.175 4.340 0.001 0.000 0.237 510 R C 2.587 178.911 176.300 0.039 0.000 1.137 510 R CA 1.427 57.547 56.100 0.034 0.000 0.951 510 R CB -0.510 29.794 30.300 0.007 0.000 0.851 510 R HN 0.164 nan 8.270 nan 0.000 0.434 511 L N 0.183 121.432 121.223 0.043 0.000 2.027 511 L HA -0.194 4.147 4.340 0.001 0.000 0.206 511 L C 2.187 179.086 176.870 0.048 0.000 1.074 511 L CA 1.661 56.518 54.840 0.029 0.000 0.745 511 L CB -0.909 41.163 42.059 0.023 0.000 0.898 511 L HN 0.128 nan 8.230 nan 0.000 0.433 512 Y N 0.156 120.428 120.300 -0.046 0.000 2.040 512 Y HA -0.343 4.208 4.550 0.002 0.000 0.275 512 Y C 2.585 178.445 175.900 -0.066 0.000 1.171 512 Y CA 2.415 60.481 58.100 -0.055 0.000 1.123 512 Y CB -0.681 37.760 38.460 -0.030 0.000 0.963 512 Y HN 0.282 nan 8.280 nan 0.000 0.493 513 S N 0.397 116.146 115.700 0.082 0.000 2.399 513 S HA -0.174 4.297 4.470 0.001 0.000 0.231 513 S C 2.203 176.754 174.600 -0.082 0.000 1.022 513 S CA 0.896 59.072 58.200 -0.039 0.000 0.983 513 S CB -0.759 62.488 63.200 0.079 0.000 0.803 513 S HN 0.673 nan 8.310 nan 0.000 0.480 514 A N 1.133 123.919 122.820 -0.057 0.000 1.898 514 A HA -0.024 4.297 4.320 0.001 0.000 0.216 514 A C 2.315 179.857 177.584 -0.069 0.000 1.181 514 A CA 1.368 53.377 52.037 -0.048 0.000 0.620 514 A CB -0.798 18.177 19.000 -0.042 0.000 0.819 514 A HN 0.349 nan 8.150 nan 0.000 0.442 515 V N 0.292 120.116 119.914 -0.150 0.000 2.307 515 V HA -0.218 3.903 4.120 0.001 0.000 0.245 515 V C 2.676 178.580 176.094 -0.315 0.000 1.045 515 V CA 1.931 64.097 62.300 -0.223 0.000 1.024 515 V CB -0.800 30.860 31.823 -0.273 0.000 0.651 515 V HN 0.447 nan 8.190 nan 0.000 0.449 516 R N -0.319 119.943 120.500 -0.396 0.000 2.120 516 R HA -0.170 4.171 4.340 0.001 0.000 0.234 516 R C 2.200 178.363 176.300 -0.228 0.000 1.123 516 R CA 1.837 57.693 56.100 -0.406 0.000 0.975 516 R CB -0.964 29.057 30.300 -0.464 0.000 0.866 516 R HN 0.750 nan 8.270 nan 0.000 0.446 517 H N 0.546 119.489 119.070 -0.212 0.000 2.326 517 H HA -0.010 4.547 4.556 0.001 0.000 0.301 517 H C 1.907 177.151 175.328 -0.140 0.000 1.081 517 H CA 1.688 57.650 56.048 -0.142 0.000 1.334 517 H CB 0.013 29.713 29.762 -0.104 0.000 1.385 517 H HN -0.124 nan 8.280 nan 0.000 0.504 518 V N 0.792 120.626 119.914 -0.132 0.000 2.343 518 V HA -0.242 3.879 4.120 0.001 0.000 0.247 518 V C 2.612 178.561 176.094 -0.242 0.000 1.051 518 V CA 1.662 63.864 62.300 -0.164 0.000 1.036 518 V CB -0.552 31.223 31.823 -0.080 0.000 0.654 518 V HN 0.642 nan 8.190 nan 0.000 0.451 519 V N -1.465 118.268 119.914 -0.302 0.000 3.217 519 V HA 0.404 4.525 4.120 0.001 0.000 0.264 519 V C 1.586 177.470 176.094 -0.350 0.000 1.135 519 V CA 0.938 62.984 62.300 -0.423 0.000 1.142 519 V CB -0.746 30.673 31.823 -0.673 0.000 0.754 519 V HN 0.813 nan 8.190 nan 0.000 0.484 520 G N -0.281 108.347 108.800 -0.286 0.000 2.149 520 G HA2 -0.229 3.732 3.960 0.001 0.000 0.235 520 G HA3 -0.229 3.732 3.960 0.001 0.000 0.235 520 G C 0.020 174.841 174.900 -0.131 0.000 1.018 520 G CA 0.396 45.369 45.100 -0.212 0.000 0.728 520 G HN 0.656 nan 8.290 nan 0.000 0.508 521 Q N 0.507 120.229 119.800 -0.131 0.000 2.413 521 Q HA 0.309 4.650 4.340 0.001 0.000 0.258 521 Q C 0.119 176.080 176.000 -0.065 0.000 1.037 521 Q CA -0.349 55.430 55.803 -0.039 0.000 0.764 521 Q CB 0.590 29.384 28.738 0.094 0.000 1.217 521 Q HN 0.517 nan 8.270 nan 0.000 0.490 522 K N 4.602 124.978 120.400 -0.041 0.000 2.379 522 K HA 0.220 4.541 4.320 0.001 0.000 0.284 522 K C -2.093 174.506 176.600 -0.002 0.000 1.044 522 K CA -1.327 54.944 56.287 -0.028 0.000 0.974 522 K CB 0.447 32.940 32.500 -0.012 0.000 0.962 522 K HN 0.373 nan 8.250 nan 0.000 0.474 523 P HA -0.009 nan 4.420 nan 0.000 0.268 523 P C -0.742 176.613 177.300 0.092 0.000 1.204 523 P CA 0.049 63.205 63.100 0.093 0.000 0.768 523 P CB 0.829 32.649 31.700 0.200 0.000 0.842 524 T N 0.762 115.378 114.554 0.104 0.000 2.900 524 T HA 0.213 4.564 4.350 0.001 0.000 0.303 524 T C 1.280 176.065 174.700 0.143 0.000 1.142 524 T CA -0.315 61.830 62.100 0.075 0.000 1.007 524 T CB 1.421 70.296 68.868 0.012 0.000 1.156 524 T HN 0.368 nan 8.240 nan 0.000 0.490 525 S N 0.579 116.345 115.700 0.111 0.000 2.453 525 S HA -0.090 4.380 4.470 0.001 0.000 0.231 525 S C 1.028 175.776 174.600 0.246 0.000 1.005 525 S CA 0.917 59.227 58.200 0.184 0.000 0.949 525 S CB -0.197 62.985 63.200 -0.029 0.000 0.774 525 S HN 0.697 nan 8.310 nan 0.000 0.510 526 D N 1.213 121.683 120.400 0.117 0.000 2.194 526 D HA 0.074 4.715 4.640 0.001 0.000 0.204 526 D C 0.579 176.831 176.300 -0.080 0.000 0.964 526 D CA 0.779 54.807 54.000 0.046 0.000 0.846 526 D CB 0.174 40.938 40.800 -0.059 0.000 0.962 526 D HN 0.300 nan 8.370 nan 0.000 0.490 527 R N 0.348 120.742 120.500 -0.177 0.000 2.698 527 R HA 0.381 4.721 4.340 0.001 0.000 0.275 527 R C -2.581 173.480 176.300 -0.398 0.000 1.001 527 R CA -1.656 54.085 56.100 -0.598 0.000 0.896 527 R CB 2.399 32.303 30.300 -0.660 0.000 1.218 527 R HN -0.031 nan 8.270 nan 0.000 0.462 528 P HA 0.060 nan 4.420 nan 0.000 0.282 528 P C 0.424 177.727 177.300 0.005 0.000 1.287 528 P CA -0.410 62.568 63.100 -0.204 0.000 0.792 528 P CB 0.633 32.147 31.700 -0.310 0.000 1.163 529 Y N 0.745 121.035 120.300 -0.017 0.000 2.114 529 Y HA -0.098 4.453 4.550 0.001 0.000 0.282 529 Y C 0.742 176.641 175.900 -0.001 0.000 1.165 529 Y CA 1.479 59.568 58.100 -0.019 0.000 1.148 529 Y CB -0.354 38.095 38.460 -0.018 0.000 0.972 529 Y HN 0.043 nan 8.280 nan 0.000 0.504 530 I N 0.442 120.873 120.570 -0.232 0.000 2.382 530 I HA -0.022 4.148 4.170 0.001 0.000 0.286 530 I C 0.561 176.651 176.117 -0.046 0.000 1.002 530 I CA -0.847 60.273 61.300 -0.300 0.000 1.135 530 I CB 0.436 38.161 38.000 -0.458 0.000 1.288 530 I HN 0.521 nan 8.210 nan 0.000 0.448 531 W N 6.348 127.502 121.300 -0.245 0.000 3.008 531 W HA 0.168 4.829 4.660 0.001 0.000 0.273 531 W C 0.009 176.422 176.519 -0.175 0.000 1.012 531 W CA 0.261 57.475 57.345 -0.219 0.000 1.885 531 W CB 0.680 30.026 29.460 -0.189 0.000 1.150 531 W HN 0.359 nan 8.180 nan 0.000 0.564 532 N N 1.625 120.269 118.700 -0.092 0.000 2.361 532 N HA 0.065 4.806 4.740 0.001 0.000 0.302 532 N C 0.097 175.517 175.510 -0.149 0.000 1.074 532 N CA -0.182 52.741 53.050 -0.213 0.000 0.850 532 N CB 1.651 40.051 38.487 -0.145 0.000 1.228 532 N HN -0.018 nan 8.380 nan 0.000 0.491 533 D N 0.319 120.620 120.400 -0.164 0.000 2.149 533 D HA -0.153 4.488 4.640 0.001 0.000 0.198 533 D C 1.072 177.301 176.300 -0.118 0.000 0.990 533 D CA 1.375 55.288 54.000 -0.144 0.000 0.839 533 D CB -0.039 40.682 40.800 -0.131 0.000 0.948 533 D HN 0.604 nan 8.370 nan 0.000 0.460 534 N N 0.503 119.146 118.700 -0.096 0.000 2.370 534 N HA -0.061 4.680 4.740 0.001 0.000 0.198 534 N C 0.656 176.130 175.510 -0.060 0.000 1.156 534 N CA 0.174 53.179 53.050 -0.074 0.000 0.839 534 N CB -0.204 38.248 38.487 -0.059 0.000 0.989 534 N HN 0.203 nan 8.380 nan 0.000 0.468 535 E N -0.377 119.785 120.200 -0.063 0.000 2.474 535 E HA 0.037 4.388 4.350 0.001 0.000 0.195 535 E C 0.016 176.583 176.600 -0.055 0.000 1.039 535 E CA 0.129 56.507 56.400 -0.037 0.000 0.881 535 E CB 0.195 29.896 29.700 0.002 0.000 0.970 535 E HN 0.528 nan 8.360 nan 0.000 0.486 536 Q N -0.892 118.842 119.800 -0.110 0.000 2.578 536 Q HA 0.354 4.694 4.340 0.001 0.000 0.284 536 Q C -0.720 175.151 176.000 -0.216 0.000 0.960 536 Q CA -0.953 54.751 55.803 -0.165 0.000 0.809 536 Q CB 0.695 29.277 28.738 -0.261 0.000 1.462 536 Q HN 0.028 nan 8.270 nan 0.000 0.392 537 G N 1.671 110.333 108.800 -0.230 0.000 2.504 537 G HA2 0.453 4.413 3.960 0.001 0.000 0.326 537 G HA3 0.453 4.413 3.960 0.001 0.000 0.326 537 G C 0.569 175.288 174.900 -0.301 0.000 1.073 537 G CA -0.604 44.380 45.100 -0.192 0.000 1.030 537 G HN 0.552 nan 8.290 nan 0.000 0.448 538 L N 1.706 122.749 121.223 -0.301 0.000 2.261 538 L HA -0.131 4.210 4.340 0.001 0.000 0.216 538 L C 2.514 179.311 176.870 -0.121 0.000 1.114 538 L CA 1.259 55.925 54.840 -0.289 0.000 0.777 538 L CB -0.099 41.842 42.059 -0.196 0.000 0.910 538 L HN 0.603 nan 8.230 nan 0.000 0.440 539 D N -0.554 119.797 120.400 -0.082 0.000 2.144 539 D HA -0.216 4.424 4.640 0.001 0.000 0.199 539 D C 1.751 178.060 176.300 0.014 0.000 0.984 539 D CA 1.032 55.020 54.000 -0.020 0.000 0.834 539 D CB -0.360 40.429 40.800 -0.018 0.000 0.955 539 D HN 0.287 nan 8.370 nan 0.000 0.465 540 E N 0.231 120.439 120.200 0.013 0.000 2.106 540 E HA -0.160 4.191 4.350 0.001 0.000 0.192 540 E C 2.172 178.882 176.600 0.184 0.000 0.984 540 E CA 0.802 57.252 56.400 0.084 0.000 0.806 540 E CB -0.383 29.376 29.700 0.097 0.000 0.750 540 E HN 0.673 nan 8.360 nan 0.000 0.458 541 H N 0.178 119.252 119.070 0.007 0.000 2.363 541 H HA 0.008 4.565 4.556 0.002 0.000 0.301 541 H C 2.398 177.732 175.328 0.011 0.000 1.074 541 H CA 0.626 56.688 56.048 0.024 0.000 1.354 541 H CB 0.128 29.938 29.762 0.080 0.000 1.397 541 H HN 0.078 nan 8.280 nan 0.000 0.516 542 I N 1.010 121.664 120.570 0.140 0.000 2.127 542 I HA -0.282 3.889 4.170 0.001 0.000 0.241 542 I C 2.896 179.039 176.117 0.044 0.000 1.075 542 I CA 0.987 62.328 61.300 0.067 0.000 1.334 542 I CB -0.349 37.677 38.000 0.044 0.000 1.040 542 I HN 0.256 nan 8.210 nan 0.000 0.405 543 A N 0.821 123.669 122.820 0.047 0.000 1.908 543 A HA -0.223 4.098 4.320 0.001 0.000 0.218 543 A C 2.401 179.998 177.584 0.021 0.000 1.181 543 A CA 1.666 53.721 52.037 0.031 0.000 0.627 543 A CB -0.600 18.419 19.000 0.031 0.000 0.818 543 A HN 0.332 nan 8.150 nan 0.000 0.445 544 R N -0.701 119.813 120.500 0.023 0.000 2.066 544 R HA -0.004 4.337 4.340 0.001 0.000 0.232 544 R C 2.041 178.329 176.300 -0.019 0.000 1.131 544 R CA 1.552 57.648 56.100 -0.005 0.000 0.955 544 R CB -0.462 29.822 30.300 -0.028 0.000 0.851 544 R HN 0.570 nan 8.270 nan 0.000 0.432 545 I N 0.401 120.958 120.570 -0.021 0.000 2.179 545 I HA -0.281 3.889 4.170 0.001 0.000 0.242 545 I C 2.140 178.241 176.117 -0.027 0.000 1.088 545 I CA 1.282 62.560 61.300 -0.036 0.000 1.357 545 I CB -0.210 37.765 38.000 -0.041 0.000 1.051 545 I HN 0.103 nan 8.210 nan 0.000 0.409 546 S N 0.808 116.499 115.700 -0.015 0.000 2.368 546 S HA -0.179 4.292 4.470 0.001 0.000 0.225 546 S C 2.253 176.851 174.600 -0.003 0.000 1.030 546 S CA 1.336 59.530 58.200 -0.011 0.000 0.999 546 S CB -0.417 62.785 63.200 0.003 0.000 0.844 546 S HN 0.552 nan 8.310 nan 0.000 0.459 547 A N 1.396 124.216 122.820 0.001 0.000 1.933 547 A HA -0.177 4.144 4.320 0.001 0.000 0.218 547 A C 1.875 179.462 177.584 0.005 0.000 1.175 547 A CA 1.921 53.962 52.037 0.005 0.000 0.628 547 A CB -0.792 18.211 19.000 0.005 0.000 0.814 547 A HN 0.522 nan 8.150 nan 0.000 0.444 548 D N -0.477 119.921 120.400 -0.003 0.000 2.144 548 D HA -0.087 4.554 4.640 0.001 0.000 0.200 548 D C 1.756 178.056 176.300 -0.000 0.000 0.978 548 D CA 1.201 55.201 54.000 -0.001 0.000 0.833 548 D CB -0.138 40.657 40.800 -0.008 0.000 0.961 548 D HN 0.493 nan 8.370 nan 0.000 0.470 549 I N 0.463 121.027 120.570 -0.010 0.000 2.202 549 I HA -0.210 3.960 4.170 0.001 0.000 0.242 549 I C 2.457 178.580 176.117 0.010 0.000 1.091 549 I CA 1.022 62.314 61.300 -0.014 0.000 1.368 549 I CB -0.357 37.621 38.000 -0.036 0.000 1.058 549 I HN 0.050 nan 8.210 nan 0.000 0.410 550 A N 0.580 123.411 122.820 0.017 0.000 2.024 550 A HA -0.096 4.225 4.320 0.001 0.000 0.220 550 A C 2.293 179.908 177.584 0.052 0.000 1.164 550 A CA 1.841 53.901 52.037 0.039 0.000 0.643 550 A CB -0.586 18.433 19.000 0.031 0.000 0.806 550 A HN 0.463 nan 8.150 nan 0.000 0.451 551 A N -1.862 120.982 122.820 0.040 0.000 2.275 551 A HA 0.446 4.767 4.320 0.001 0.000 0.212 551 A C 1.591 179.206 177.584 0.053 0.000 1.201 551 A CA 1.010 53.073 52.037 0.043 0.000 0.843 551 A CB -0.787 18.230 19.000 0.029 0.000 0.873 551 A HN 1.877 nan 8.150 nan 0.000 0.492 552 G N -0.700 108.132 108.800 0.053 0.000 2.256 552 G HA2 -0.018 3.943 3.960 0.001 0.000 0.272 552 G HA3 -0.018 3.943 3.960 0.001 0.000 0.272 552 G C 0.728 175.647 174.900 0.031 0.000 1.076 552 G CA 0.529 45.661 45.100 0.053 0.000 0.882 552 G HN 1.184 nan 8.290 nan 0.000 0.497 553 G N -0.982 107.829 108.800 0.019 0.000 2.485 553 G HA2 0.526 4.487 3.960 0.001 0.000 0.260 553 G HA3 0.526 4.487 3.960 0.001 0.000 0.260 553 G C 1.651 176.551 174.900 -0.001 0.000 1.459 553 G CA 1.324 46.431 45.100 0.012 0.000 1.060 553 G HN 1.353 nan 8.290 nan 0.000 0.546 554 V N -1.484 118.426 119.914 -0.006 0.000 2.490 554 V HA -0.126 3.995 4.120 0.001 0.000 0.250 554 V C 2.608 178.685 176.094 -0.027 0.000 1.061 554 V CA 1.688 63.970 62.300 -0.030 0.000 1.064 554 V CB -0.824 30.963 31.823 -0.060 0.000 0.670 554 V HN 0.547 nan 8.190 nan 0.000 0.461 555 I N 0.125 120.682 120.570 -0.022 0.000 2.315 555 I HA -0.148 4.023 4.170 0.001 0.000 0.248 555 I C 2.515 178.616 176.117 -0.026 0.000 1.117 555 I CA 1.433 62.715 61.300 -0.030 0.000 1.404 555 I CB -0.277 37.700 38.000 -0.039 0.000 1.071 555 I HN 0.221 nan 8.210 nan 0.000 0.419 556 V N 0.427 120.328 119.914 -0.021 0.000 2.379 556 V HA -0.249 3.872 4.120 0.001 0.000 0.245 556 V C 2.354 178.439 176.094 -0.014 0.000 1.044 556 V CA 1.614 63.902 62.300 -0.021 0.000 1.036 556 V CB -0.698 31.116 31.823 -0.015 0.000 0.664 556 V HN 0.466 nan 8.190 nan 0.000 0.453 557 Q N 0.226 120.019 119.800 -0.011 0.000 2.170 557 Q HA -0.143 4.198 4.340 0.001 0.000 0.203 557 Q C 2.369 178.362 176.000 -0.012 0.000 0.976 557 Q CA 1.602 57.399 55.803 -0.009 0.000 0.858 557 Q CB -0.433 28.297 28.738 -0.013 0.000 0.907 557 Q HN 0.658 nan 8.270 nan 0.000 0.433 558 A N 0.932 123.742 122.820 -0.017 0.000 2.070 558 A HA -0.095 4.226 4.320 0.001 0.000 0.220 558 A C 1.951 179.529 177.584 -0.009 0.000 1.159 558 A CA 1.511 53.540 52.037 -0.015 0.000 0.656 558 A CB -0.238 18.752 19.000 -0.016 0.000 0.800 558 A HN 0.310 nan 8.150 nan 0.000 0.453 559 V N -3.496 116.413 119.914 -0.008 0.000 3.176 559 V HA 0.187 4.308 4.120 0.001 0.000 0.332 559 V C 1.422 177.521 176.094 0.009 0.000 1.414 559 V CA 0.588 62.888 62.300 -0.001 0.000 1.133 559 V CB -0.478 31.346 31.823 0.002 0.000 1.088 559 V HN 0.535 nan 8.190 nan 0.000 0.473 560 Q N 1.010 120.813 119.800 0.005 0.000 2.308 560 Q HA -0.254 4.086 4.340 0.001 0.000 0.209 560 Q C 1.440 177.454 176.000 0.025 0.000 0.985 560 Q CA 2.257 58.067 55.803 0.012 0.000 0.881 560 Q CB 0.055 28.799 28.738 0.010 0.000 0.917 560 Q HN 0.738 nan 8.270 nan 0.000 0.443 561 D N -0.329 120.083 120.400 0.021 0.000 2.333 561 D HA 0.003 4.644 4.640 0.001 0.000 0.208 561 D C 1.416 177.746 176.300 0.050 0.000 0.984 561 D CA 0.510 54.526 54.000 0.026 0.000 0.873 561 D CB 0.214 41.016 40.800 0.003 0.000 0.935 561 D HN 0.401 nan 8.370 nan 0.000 0.521 562 I N 0.718 121.325 120.570 0.061 0.000 3.428 562 I HA -0.009 4.162 4.170 0.001 0.000 0.286 562 I C 1.164 177.437 176.117 0.261 0.000 1.287 562 I CA 0.132 61.505 61.300 0.121 0.000 1.396 562 I CB 0.141 38.189 38.000 0.081 0.000 1.062 562 I HN -0.168 nan 8.210 nan 0.000 0.471 563 L N 0.000 121.315 121.223 0.153 0.000 2.949 563 L HA 0.000 4.341 4.340 0.001 0.000 0.249 563 L CA 0.000 54.909 54.840 0.115 0.000 0.813 563 L CB 0.000 42.082 42.059 0.038 0.000 0.961 563 L HN 0.000 nan 8.230 nan 0.000 0.502