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 1inw_1_A DATA FIRST_RESID 82 DATA SEQUENCE VEYRNWSKPQ cQITGFAPFS KDNSIRLSAG GDIWVTREPY VScDPVKcYQ DATA SEQUENCE FALGQGTTLD NKHSNDTVHD RIPHRTLLMN ELGVPFHLGT RQVcIAWSSS DATA SEQUENCE ScHDGKAWLH VcITGDDKNA TASFIYDGRL VDSIGSWSQN ILRTQESEcV DATA SEQUENCE cINGTcTVVM TDGSASGRAD TRILFIEEGK IVHISPLAGS AQHVEEcScY DATA SEQUENCE PRYPGVRcIc RDNWKGSNRP VVDINMEDYS IDSSYVcSGL VGDTPRNDDR DATA SEQUENCE SSNSNcRDPN NERGTQGVKG WAFDNGNDLW MGRTISKDLR SGYETFKVIG DATA SEQUENCE GWSTPNSKSQ INRQVIVDSD NRSGYSGIFS VEGKScINRc FYVELIRGRK DATA SEQUENCE QETRVWWTSN SIVVFcGTSG TYGTGSWPDG ANINFMPI 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 82 V HA 0.000 nan 4.120 nan 0.000 0.244 82 V C 0.000 176.024 176.094 -0.117 0.000 1.182 82 V CA 0.000 62.259 62.300 -0.069 0.000 1.235 82 V CB 0.000 31.794 31.823 -0.048 0.000 1.184 83 E N 3.486 123.628 120.200 -0.097 0.000 2.232 83 E HA 0.175 nan 4.350 nan 0.000 0.265 83 E C -1.547 175.024 176.600 -0.049 0.000 1.001 83 E CA -0.990 55.342 56.400 -0.114 0.000 0.870 83 E CB 1.925 31.590 29.700 -0.060 0.000 1.175 83 E HN -0.066 8.252 8.360 -0.070 0.000 0.407 84 Y N -0.642 119.642 120.300 -0.026 0.000 2.336 84 Y HA -0.081 nan 4.550 nan 0.000 0.331 84 Y C 0.077 175.931 175.900 -0.076 0.000 1.211 84 Y CA -0.234 57.848 58.100 -0.030 0.000 1.346 84 Y CB 0.839 39.300 38.460 0.002 0.000 1.271 84 Y HN 0.079 8.357 8.280 -0.004 0.000 0.538 85 R N 1.145 121.670 120.500 0.042 0.000 2.489 85 R HA -0.054 nan 4.340 nan 0.000 0.287 85 R C 0.498 176.745 176.300 -0.089 0.000 1.053 85 R CA 0.964 56.935 56.100 -0.215 0.000 1.036 85 R CB 0.424 30.408 30.300 -0.527 0.000 0.966 85 R HN 0.394 8.614 8.270 0.098 0.108 0.432 86 N N 2.567 121.225 118.700 -0.070 0.000 2.181 86 N HA -0.035 nan 4.740 nan 0.000 0.207 86 N C -0.643 175.025 175.510 0.264 0.000 1.182 86 N CA -0.477 52.650 53.050 0.129 0.000 0.893 86 N CB -0.068 38.466 38.487 0.079 0.000 1.032 86 N HN 0.366 8.653 8.380 -0.155 0.000 0.513 87 W N -4.323 116.988 121.300 0.018 0.000 5.950 87 W HA -0.379 nan 4.660 nan 0.000 0.383 87 W C -0.263 176.214 176.519 -0.070 0.000 1.418 87 W CA 0.031 57.383 57.345 0.013 0.000 0.994 87 W CB -2.565 26.948 29.460 0.089 0.000 2.552 87 W HN 0.074 8.155 8.180 -0.165 0.000 1.551 88 S N -0.456 115.178 115.700 -0.109 0.000 3.681 88 S HA 0.174 nan 4.470 nan 0.000 0.203 88 S C -0.825 173.689 174.600 -0.144 0.000 1.408 88 S CA -0.008 57.954 58.200 -0.396 0.000 0.942 88 S CB -0.394 62.213 63.200 -0.987 0.000 1.437 88 S HN -0.176 8.339 8.310 -0.146 -0.293 0.482 89 K N 3.006 123.407 120.400 0.002 0.000 2.508 89 K HA 0.373 nan 4.320 nan 0.000 0.260 89 K C -2.844 173.786 176.600 0.049 0.000 0.949 89 K CA -2.688 53.611 56.287 0.020 0.000 0.834 89 K CB 1.691 34.214 32.500 0.038 0.000 1.365 89 K HN -0.794 7.456 8.250 0.075 0.046 0.437 90 P HA -0.094 nan 4.420 nan 0.000 0.270 90 P C -1.389 175.932 177.300 0.034 0.000 1.227 90 P CA -0.465 62.660 63.100 0.043 0.000 0.788 90 P CB 0.731 32.451 31.700 0.033 0.000 0.926 91 Q N 1.336 121.153 119.800 0.029 0.000 2.279 91 Q HA 0.037 nan 4.340 nan 0.000 0.256 91 Q C -0.546 175.454 176.000 -0.000 0.000 0.937 91 Q CA -0.772 55.030 55.803 -0.003 0.000 0.933 91 Q CB 0.820 29.558 28.738 0.001 0.000 1.189 91 Q HN 0.160 8.455 8.270 0.041 0.000 0.417 92 c N 7.948 126.531 118.600 -0.028 0.000 2.597 92 c HA -0.201 nan 4.570 nan 0.000 0.412 92 c C -0.579 173.506 174.090 -0.008 0.000 1.348 92 c CA 1.352 57.666 56.329 -0.026 0.000 1.769 92 c CB -0.226 42.248 42.510 -0.060 0.000 2.641 92 c HN 0.207 8.407 8.230 -0.051 0.000 0.612 93 Q N 1.973 121.780 119.800 0.012 0.000 2.296 93 Q HA 0.004 nan 4.340 nan 0.000 0.262 93 Q C -0.845 175.159 176.000 0.006 0.000 0.981 93 Q CA -0.088 55.740 55.803 0.042 0.000 0.905 93 Q CB 0.590 29.359 28.738 0.051 0.000 1.186 93 Q HN 0.204 8.479 8.270 0.009 0.000 0.399 94 I N -0.040 120.533 120.570 0.005 0.000 2.693 94 I HA 0.488 nan 4.170 nan 0.000 0.303 94 I C -0.968 175.139 176.117 -0.017 0.000 1.025 94 I CA -1.681 59.536 61.300 -0.138 0.000 1.086 94 I CB 3.093 40.830 38.000 -0.437 0.000 1.268 94 I HN -0.168 8.096 8.210 0.091 0.000 0.440 95 T N 3.584 118.111 114.554 -0.044 0.000 2.990 95 T HA 0.441 nan 4.350 nan 0.000 0.250 95 T C -0.620 174.212 174.700 0.220 0.000 1.041 95 T CA 0.703 62.912 62.100 0.181 0.000 1.010 95 T CB 1.776 70.766 68.868 0.204 0.000 1.003 95 T HN 1.029 9.079 8.240 -0.130 0.112 0.499 96 G N -0.589 107.991 108.800 -0.367 0.000 2.345 96 G HA2 0.165 nan 3.960 nan 0.000 0.285 96 G HA3 0.165 nan 3.960 nan 0.000 0.285 96 G C -3.370 170.833 174.900 -1.161 0.000 1.297 96 G CA 0.779 45.431 45.100 -0.746 0.000 0.875 96 G HN -0.816 7.144 8.290 -0.551 0.000 0.506 97 F N -1.065 118.677 119.950 -0.348 0.000 2.522 97 F HA 0.770 nan 4.527 nan 0.000 0.324 97 F C -0.798 174.951 175.800 -0.085 0.000 1.077 97 F CA -2.239 55.675 58.000 -0.143 0.000 0.944 97 F CB 3.069 42.119 39.000 0.083 0.000 1.175 97 F HN 0.115 8.482 8.300 -0.477 -0.354 0.468 98 A N 1.081 123.982 122.820 0.134 0.000 2.340 98 A HA 0.638 nan 4.320 nan 0.000 0.331 98 A C -3.129 174.350 177.584 -0.175 0.000 1.140 98 A CA -3.152 48.929 52.037 0.073 0.000 0.801 98 A CB 0.866 19.882 19.000 0.026 0.000 1.234 98 A HN 0.892 8.996 8.150 0.089 0.100 0.469 99 P HA 0.122 nan 4.420 nan 0.000 0.267 99 P C -1.698 175.250 177.300 -0.588 0.000 1.200 99 P CA 1.139 63.483 63.100 -1.259 0.000 0.772 99 P CB 0.398 31.545 31.700 -0.922 0.000 0.855 100 F N 3.677 123.144 119.950 -0.805 0.000 2.671 100 F HA 0.259 nan 4.527 nan 0.000 0.303 100 F C -0.801 174.812 175.800 -0.312 0.000 0.935 100 F CA -0.397 57.352 58.000 -0.419 0.000 1.136 100 F CB 2.703 41.517 39.000 -0.308 0.000 0.929 100 F HN 0.313 8.085 8.300 -0.881 0.000 0.659 101 S N -2.483 113.023 115.700 -0.324 0.000 2.587 101 S HA 0.172 nan 4.470 nan 0.000 0.269 101 S C -2.680 171.793 174.600 -0.213 0.000 1.154 101 S CA 0.276 58.279 58.200 -0.328 0.000 0.824 101 S CB 1.403 64.384 63.200 -0.366 0.000 1.118 101 S HN -0.424 7.701 8.310 -0.309 0.000 0.462 102 K N 1.494 121.799 120.400 -0.159 0.000 2.569 102 K HA 0.228 nan 4.320 nan 0.000 0.259 102 K C -2.053 174.498 176.600 -0.081 0.000 0.932 102 K CA -0.069 56.175 56.287 -0.072 0.000 0.833 102 K CB 1.986 34.472 32.500 -0.023 0.000 1.340 102 K HN -0.099 8.041 8.250 -0.183 0.000 0.429 103 D N 3.162 123.523 120.400 -0.064 0.000 2.407 103 D HA 0.113 nan 4.640 nan 0.000 0.208 103 D C 0.416 176.683 176.300 -0.055 0.000 1.083 103 D CA -0.596 53.344 54.000 -0.101 0.000 0.844 103 D CB 0.264 40.958 40.800 -0.177 0.000 0.967 103 D HN 0.134 8.485 8.370 -0.033 0.000 0.506 104 N N -1.774 116.924 118.700 -0.003 0.000 2.696 104 N HA -0.420 nan 4.740 nan 0.000 0.249 104 N C 0.409 175.930 175.510 0.020 0.000 1.090 104 N CA 1.237 54.302 53.050 0.025 0.000 0.716 104 N CB -0.633 37.868 38.487 0.023 0.000 1.020 104 N HN 0.239 8.627 8.380 0.013 0.000 0.548 105 S N 0.262 115.970 115.700 0.013 0.000 2.369 105 S HA -0.399 nan 4.470 nan 0.000 0.225 105 S C 1.481 176.098 174.600 0.027 0.000 1.043 105 S CA 3.868 62.080 58.200 0.020 0.000 1.074 105 S CB 0.079 63.305 63.200 0.043 0.000 0.962 105 S HN -0.189 8.386 8.310 0.005 -0.261 0.433 106 I N -1.036 119.561 120.570 0.046 0.000 2.315 106 I HA -0.338 nan 4.170 nan 0.000 0.248 106 I C 1.646 177.796 176.117 0.055 0.000 1.117 106 I CA 2.408 63.731 61.300 0.038 0.000 1.404 106 I CB -0.885 37.177 38.000 0.103 0.000 1.071 106 I HN -0.092 8.158 8.210 0.066 0.000 0.419 107 R N -1.307 119.238 120.500 0.073 0.000 2.070 107 R HA -0.267 nan 4.340 nan 0.000 0.233 107 R C 3.060 179.394 176.300 0.056 0.000 1.137 107 R CA 3.066 59.217 56.100 0.086 0.000 0.945 107 R CB -0.329 30.021 30.300 0.084 0.000 0.845 107 R HN -0.280 8.034 8.270 0.073 0.000 0.430 108 L N -0.712 120.529 121.223 0.030 0.000 2.042 108 L HA -0.362 nan 4.340 nan 0.000 0.210 108 L C 2.086 178.956 176.870 0.002 0.000 1.076 108 L CA 2.734 57.581 54.840 0.012 0.000 0.749 108 L CB -0.555 41.505 42.059 0.003 0.000 0.893 108 L HN -0.289 7.958 8.230 0.030 0.000 0.432 109 S N -0.635 115.057 115.700 -0.013 0.000 2.462 109 S HA -0.303 nan 4.470 nan 0.000 0.243 109 S C 1.254 175.830 174.600 -0.039 0.000 1.003 109 S CA 3.305 61.472 58.200 -0.055 0.000 0.970 109 S CB -0.575 62.542 63.200 -0.138 0.000 0.762 109 S HN -0.231 7.995 8.310 -0.008 0.080 0.510 110 A N -0.860 121.967 122.820 0.012 0.000 2.218 110 A HA 0.139 nan 4.320 nan 0.000 0.209 110 A C 0.178 177.774 177.584 0.021 0.000 1.168 110 A CA 0.645 52.709 52.037 0.045 0.000 0.804 110 A CB 0.020 19.087 19.000 0.110 0.000 0.834 110 A HN -0.632 7.475 8.150 0.027 0.060 0.482 111 G N -2.298 106.504 108.800 0.002 0.000 4.876 111 G HA2 0.126 nan 3.960 nan 0.000 0.219 111 G HA3 0.126 nan 3.960 nan 0.000 0.219 111 G C -1.804 173.087 174.900 -0.015 0.000 0.877 111 G CA 0.318 45.412 45.100 -0.009 0.000 0.718 111 G HN -0.160 7.955 8.290 0.002 0.176 0.518 112 G N -0.982 107.807 108.800 -0.020 0.000 2.338 112 G HA2 -0.102 nan 3.960 nan 0.000 0.295 112 G HA3 -0.102 nan 3.960 nan 0.000 0.295 112 G C -3.040 171.842 174.900 -0.031 0.000 1.461 112 G CA 0.258 45.346 45.100 -0.020 0.000 0.817 112 G HN -0.680 7.597 8.290 -0.023 0.000 0.556 113 D N 1.315 121.699 120.400 -0.027 0.000 2.456 113 D HA 0.247 nan 4.640 nan 0.000 0.219 113 D C -1.316 174.966 176.300 -0.030 0.000 1.126 113 D CA -0.148 53.818 54.000 -0.058 0.000 0.890 113 D CB 0.073 40.831 40.800 -0.069 0.000 1.025 113 D HN 0.050 8.413 8.370 -0.013 0.000 0.511 114 I N 0.967 121.512 120.570 -0.041 0.000 2.474 114 I HA 0.367 nan 4.170 nan 0.000 0.294 114 I C -0.784 175.351 176.117 0.029 0.000 1.005 114 I CA -2.269 59.060 61.300 0.048 0.000 1.113 114 I CB 2.464 40.494 38.000 0.049 0.000 1.289 114 I HN -0.389 7.774 8.210 -0.077 0.000 0.436 115 W N 5.763 127.073 121.300 0.017 0.000 2.170 115 W HA -0.164 nan 4.660 nan 0.000 0.342 115 W C -0.350 176.152 176.519 -0.029 0.000 1.294 115 W CA 1.722 59.058 57.345 -0.016 0.000 1.246 115 W CB 0.317 29.763 29.460 -0.024 0.000 1.156 115 W HN 0.492 8.967 8.180 0.491 0.000 0.572 116 V N 4.140 124.195 119.914 0.235 0.000 2.465 116 V HA 0.295 nan 4.120 nan 0.000 0.279 116 V C -1.005 175.199 176.094 0.184 0.000 1.045 116 V CA -0.265 62.114 62.300 0.131 0.000 0.938 116 V CB -0.056 31.822 31.823 0.092 0.000 0.986 116 V HN 0.369 8.701 8.190 0.236 0.000 0.467 117 T N 3.949 118.580 114.554 0.129 0.000 2.778 117 T HA 0.721 nan 4.350 nan 0.000 0.293 117 T C -1.537 173.208 174.700 0.074 0.000 1.144 117 T CA -1.258 60.883 62.100 0.069 0.000 1.010 117 T CB 3.279 72.156 68.868 0.014 0.000 1.325 117 T HN 0.011 8.324 8.240 0.122 0.000 0.515 118 R N -2.271 118.253 120.500 0.040 0.000 2.774 118 R HA 0.207 nan 4.340 nan 0.000 0.279 118 R C -1.249 175.065 176.300 0.024 0.000 1.022 118 R CA -0.761 55.357 56.100 0.030 0.000 0.855 118 R CB 4.202 34.504 30.300 0.002 0.000 1.279 118 R HN 0.195 8.469 8.270 0.006 0.000 0.485 119 E N -2.453 117.744 120.200 -0.005 0.000 2.230 119 E HA -0.299 nan 4.350 nan 0.000 0.206 119 E C -2.537 174.189 176.600 0.210 0.000 1.309 119 E CA 0.899 57.359 56.400 0.100 0.000 0.697 119 E CB -2.186 27.580 29.700 0.109 0.000 1.146 119 E HN 0.096 8.719 8.360 -0.083 -0.313 0.363 120 P HA 0.360 nan 4.420 nan 0.000 0.284 120 P C -2.223 175.097 177.300 0.033 0.000 1.292 120 P CA -0.824 62.335 63.100 0.098 0.000 0.800 120 P CB 1.359 33.113 31.700 0.090 0.000 1.188 121 Y N -8.989 111.084 120.300 -0.378 0.000 2.852 121 Y HA 0.203 nan 4.550 nan 0.000 0.350 121 Y C -2.860 172.785 175.900 -0.425 0.000 1.272 121 Y CA -1.086 56.496 58.100 -0.864 0.000 1.086 121 Y CB 0.945 39.206 38.460 -0.332 0.000 1.408 121 Y HN 0.168 8.290 8.280 -0.264 0.000 0.447 122 V N -2.190 117.657 119.914 -0.110 0.000 2.971 122 V HA 0.677 nan 4.120 nan 0.000 0.309 122 V C -2.767 173.332 176.094 0.009 0.000 1.130 122 V CA -2.162 60.072 62.300 -0.109 0.000 0.964 122 V CB 3.322 34.865 31.823 -0.467 0.000 1.029 122 V HN 0.165 8.362 8.190 0.011 0.000 0.427 123 S N 3.262 119.126 115.700 0.273 0.000 2.537 123 S HA 0.641 nan 4.470 nan 0.000 0.270 123 S C -1.777 173.193 174.600 0.617 0.000 1.142 123 S CA -1.221 57.262 58.200 0.472 0.000 0.870 123 S CB 2.982 66.591 63.200 0.683 0.000 1.112 123 S HN -0.173 8.373 8.310 0.393 0.000 0.466 124 c N 3.112 122.023 118.600 0.518 0.000 2.563 124 c HA 0.872 nan 4.570 nan 0.000 0.314 124 c C -0.443 173.788 174.090 0.235 0.000 1.199 124 c CA -1.920 54.689 56.329 0.467 0.000 1.564 124 c CB 3.138 45.844 42.510 0.328 0.000 2.173 124 c HN 0.831 9.339 8.230 0.464 0.000 0.485 125 D N 3.633 124.103 120.400 0.117 0.000 2.478 125 D HA 0.273 nan 4.640 nan 0.000 0.274 125 D C -0.924 175.228 176.300 -0.246 0.000 1.234 125 D CA -2.300 51.418 54.000 -0.470 0.000 1.069 125 D CB -0.897 39.394 40.800 -0.850 0.000 1.113 125 D HN 0.049 8.679 8.370 0.433 0.000 0.571 126 P HA -0.020 nan 4.420 nan 0.000 0.259 126 P C -1.482 175.762 177.300 -0.095 0.000 1.480 126 P CA 0.244 63.233 63.100 -0.184 0.000 0.842 126 P CB -0.455 31.121 31.700 -0.207 0.000 1.513 127 V N -2.827 117.057 119.914 -0.049 0.000 3.161 127 V HA 0.238 nan 4.120 nan 0.000 0.228 127 V C -1.686 174.414 176.094 0.011 0.000 1.415 127 V CA 0.192 62.485 62.300 -0.012 0.000 1.285 127 V CB 2.429 34.248 31.823 -0.007 0.000 1.100 127 V HN 0.069 8.393 8.190 -0.042 -0.160 0.478 128 K N -1.750 118.673 120.400 0.037 0.000 2.533 128 K HA 0.337 nan 4.320 nan 0.000 0.272 128 K C -2.263 174.320 176.600 -0.029 0.000 0.985 128 K CA -1.332 54.928 56.287 -0.044 0.000 0.876 128 K CB 3.362 35.755 32.500 -0.178 0.000 1.452 128 K HN 0.098 8.785 8.250 0.099 -0.377 0.439 129 c N 0.459 118.991 118.600 -0.113 0.000 2.341 129 c HA 0.788 nan 4.570 nan 0.000 0.338 129 c C -0.348 173.544 174.090 -0.330 0.000 1.257 129 c CA -0.590 55.724 56.329 -0.025 0.000 1.883 129 c CB 0.198 42.758 42.510 0.083 0.000 2.334 129 c HN 0.518 8.686 8.230 -0.103 0.000 0.524 130 Y N 1.192 121.482 120.300 -0.018 0.000 2.587 130 Y HA 0.490 nan 4.550 nan 0.000 0.337 130 Y C -1.762 173.932 175.900 -0.342 0.000 1.065 130 Y CA -1.822 56.120 58.100 -0.263 0.000 1.126 130 Y CB 3.336 41.492 38.460 -0.506 0.000 1.279 130 Y HN 0.915 9.476 8.280 0.469 0.000 0.489 131 Q N -1.697 117.919 119.800 -0.306 0.000 2.333 131 Q HA 0.645 nan 4.340 nan 0.000 0.268 131 Q C -1.214 174.602 176.000 -0.306 0.000 1.007 131 Q CA -1.720 53.934 55.803 -0.248 0.000 0.810 131 Q CB 2.151 30.756 28.738 -0.222 0.000 1.264 131 Q HN 0.753 8.724 8.270 -0.319 0.108 0.452 132 F N 3.716 123.446 119.950 -0.366 0.000 2.509 132 F HA 0.840 nan 4.527 nan 0.000 0.334 132 F C -1.161 174.356 175.800 -0.472 0.000 1.060 132 F CA -2.161 55.504 58.000 -0.558 0.000 0.997 132 F CB 3.416 41.718 39.000 -1.164 0.000 1.271 132 F HN 0.443 8.608 8.300 -0.049 0.105 0.488 133 A N -2.609 120.002 122.820 -0.349 0.000 2.583 133 A HA 0.512 nan 4.320 nan 0.000 0.292 133 A C -2.771 174.617 177.584 -0.327 0.000 1.045 133 A CA 0.182 52.044 52.037 -0.291 0.000 0.672 133 A CB 3.047 21.846 19.000 -0.334 0.000 1.283 133 A HN 0.042 7.946 8.150 -0.409 0.000 0.419 134 L N 0.058 121.181 121.223 -0.166 0.000 2.265 134 L HA 0.690 nan 4.340 nan 0.000 0.289 134 L C -0.208 176.578 176.870 -0.140 0.000 1.033 134 L CA -1.478 53.285 54.840 -0.128 0.000 0.814 134 L CB 0.869 42.933 42.059 0.008 0.000 1.203 134 L HN -0.127 8.057 8.230 -0.078 0.000 0.423 135 G N 2.020 110.694 108.800 -0.211 0.000 2.557 135 G HA2 0.434 nan 3.960 nan 0.000 0.292 135 G HA3 0.434 nan 3.960 nan 0.000 0.292 135 G C -0.678 174.287 174.900 0.108 0.000 1.237 135 G CA -0.817 44.237 45.100 -0.078 0.000 0.978 135 G HN 0.476 8.602 8.290 -0.273 0.000 0.498 136 Q N -0.437 119.511 119.800 0.247 0.000 2.182 136 Q HA 0.059 nan 4.340 nan 0.000 0.270 136 Q C 0.231 176.392 176.000 0.268 0.000 0.861 136 Q CA -1.403 54.535 55.803 0.225 0.000 1.098 136 Q CB 0.148 28.998 28.738 0.187 0.000 1.188 136 Q HN -0.181 8.308 8.270 0.365 0.000 0.464 137 G N -0.687 108.355 108.800 0.403 0.000 2.341 137 G HA2 -0.501 nan 3.960 nan 0.000 0.292 137 G HA3 -0.501 nan 3.960 nan 0.000 0.292 137 G C -1.233 173.669 174.900 0.003 0.000 1.021 137 G CA 0.822 46.113 45.100 0.320 0.000 0.905 137 G HN 0.224 8.742 8.290 0.499 0.072 0.508 138 T N -2.393 112.095 114.554 -0.111 0.000 2.827 138 T HA 0.247 nan 4.350 nan 0.000 0.328 138 T C -1.912 172.568 174.700 -0.366 0.000 1.598 138 T CA -0.821 61.111 62.100 -0.280 0.000 1.043 138 T CB 1.850 70.684 68.868 -0.056 0.000 1.447 138 T HN -0.425 7.851 8.240 0.089 0.017 0.491 139 T N 1.203 115.528 114.554 -0.382 0.000 2.862 139 T HA 0.616 nan 4.350 nan 0.000 0.276 139 T C -0.490 174.097 174.700 -0.189 0.000 0.974 139 T CA -1.189 60.717 62.100 -0.322 0.000 0.966 139 T CB 1.093 69.768 68.868 -0.321 0.000 1.072 139 T HN 0.102 8.136 8.240 -0.343 0.000 0.538 140 L N -0.755 120.343 121.223 -0.210 0.000 2.044 140 L HA 0.034 nan 4.340 nan 0.000 0.205 140 L C 0.279 177.029 176.870 -0.199 0.000 1.075 140 L CA 2.372 57.029 54.840 -0.304 0.000 0.747 140 L CB 0.702 42.471 42.059 -0.483 0.000 0.903 140 L HN 0.091 8.202 8.230 -0.199 0.000 0.435 141 D N -1.346 118.973 120.400 -0.134 0.000 2.508 141 D HA -0.073 nan 4.640 nan 0.000 0.224 141 D C -1.871 174.406 176.300 -0.039 0.000 1.171 141 D CA 0.554 54.522 54.000 -0.053 0.000 1.006 141 D CB -1.434 39.342 40.800 -0.041 0.000 1.073 141 D HN -0.165 8.119 8.370 -0.143 0.000 0.513 142 N N 1.698 120.394 118.700 -0.006 0.000 2.666 142 N HA 0.001 nan 4.740 nan 0.000 0.260 142 N C 0.260 175.799 175.510 0.049 0.000 1.077 142 N CA 0.439 53.502 53.050 0.022 0.000 1.026 142 N CB 2.181 40.667 38.487 -0.001 0.000 1.653 142 N HN -0.663 7.706 8.380 0.014 0.020 0.533 143 K N 3.908 124.311 120.400 0.005 0.000 2.286 143 K HA -0.385 nan 4.320 nan 0.000 0.203 143 K C 1.573 178.116 176.600 -0.095 0.000 1.045 143 K CA 2.995 59.240 56.287 -0.070 0.000 0.935 143 K CB -0.090 32.311 32.500 -0.165 0.000 0.737 143 K HN 0.654 8.907 8.250 0.004 0.000 0.460 144 H N -2.144 116.929 119.070 0.005 0.000 2.561 144 H HA -0.077 nan 4.556 nan 0.000 0.278 144 H C 1.243 176.609 175.328 0.063 0.000 1.014 144 H CA 1.866 57.926 56.048 0.020 0.000 1.211 144 H CB -0.813 28.939 29.762 -0.017 0.000 1.365 144 H HN 0.006 8.290 8.280 0.092 0.051 0.594 145 S N -1.457 114.346 115.700 0.172 0.000 2.436 145 S HA -0.255 nan 4.470 nan 0.000 0.228 145 S C 0.410 175.176 174.600 0.276 0.000 1.014 145 S CA 1.160 59.482 58.200 0.203 0.000 0.950 145 S CB 0.575 63.877 63.200 0.169 0.000 0.784 145 S HN 0.322 8.553 8.310 0.137 0.161 0.504 146 N N 2.780 121.623 118.700 0.238 0.000 2.294 146 N HA -0.331 nan 4.740 nan 0.000 0.263 146 N C -0.208 175.440 175.510 0.230 0.000 1.281 146 N CA 1.614 54.810 53.050 0.243 0.000 0.846 146 N CB -0.097 38.432 38.487 0.070 0.000 1.061 146 N HN -0.826 7.635 8.380 0.179 0.026 0.478 147 D N 2.459 123.022 120.400 0.272 0.000 3.017 147 D HA -0.347 nan 4.640 nan 0.000 0.220 147 D C 0.088 176.473 176.300 0.142 0.000 1.141 147 D CA 1.251 55.373 54.000 0.204 0.000 0.848 147 D CB -0.463 40.484 40.800 0.246 0.000 1.102 147 D HN 0.611 9.079 8.370 0.345 0.109 0.427 148 T N -6.843 107.808 114.554 0.162 0.000 3.361 148 T HA 0.032 nan 4.350 nan 0.000 0.251 148 T C 0.803 175.526 174.700 0.038 0.000 1.131 148 T CA 1.093 63.279 62.100 0.142 0.000 1.001 148 T CB -0.519 68.468 68.868 0.199 0.000 1.003 148 T HN -0.159 8.213 8.240 0.220 0.000 0.558 149 V N -2.309 117.534 119.914 -0.120 0.000 2.759 149 V HA -0.085 nan 4.120 nan 0.000 0.256 149 V C 0.816 176.759 176.094 -0.252 0.000 1.080 149 V CA 1.111 63.289 62.300 -0.203 0.000 1.101 149 V CB -0.763 30.878 31.823 -0.304 0.000 0.698 149 V HN -0.393 7.594 8.190 -0.126 0.128 0.477 150 H N 0.731 119.827 119.070 0.043 0.000 2.886 150 H HA 0.045 nan 4.556 nan 0.000 0.329 150 H C 0.041 175.361 175.328 -0.014 0.000 1.044 150 H CA 0.812 56.862 56.048 0.003 0.000 1.456 150 H CB 0.419 30.181 29.762 -0.001 0.000 1.464 150 H HN -0.721 7.286 8.280 -0.384 0.043 0.573 151 D N 1.863 122.292 120.400 0.050 0.000 2.277 151 D HA -0.047 nan 4.640 nan 0.000 0.208 151 D C -0.781 175.461 176.300 -0.096 0.000 0.962 151 D CA 2.408 56.394 54.000 -0.023 0.000 0.865 151 D CB 0.769 41.533 40.800 -0.060 0.000 0.939 151 D HN 0.241 8.648 8.370 0.062 0.000 0.510 152 R N -2.133 118.255 120.500 -0.187 0.000 2.507 152 R HA 0.278 nan 4.340 nan 0.000 0.298 152 R C -1.848 174.330 176.300 -0.204 0.000 1.087 152 R CA -0.585 55.278 56.100 -0.395 0.000 0.917 152 R CB 0.996 30.661 30.300 -1.058 0.000 1.173 152 R HN -0.187 8.017 8.270 -0.111 0.000 0.472 153 I N -1.003 119.549 120.570 -0.031 0.000 2.934 153 I HA 0.686 nan 4.170 nan 0.000 0.306 153 I C -1.226 174.874 176.117 -0.029 0.000 1.110 153 I CA -4.391 56.873 61.300 -0.061 0.000 1.019 153 I CB 2.858 40.822 38.000 -0.060 0.000 1.227 153 I HN -0.056 8.192 8.210 0.063 0.000 0.434 154 P HA -0.119 nan 4.420 nan 0.000 0.228 154 P C -0.700 176.555 177.300 -0.074 0.000 1.151 154 P CA 2.128 65.146 63.100 -0.137 0.000 0.770 154 P CB -0.213 31.383 31.700 -0.174 0.000 0.786 155 H N -4.300 114.829 119.070 0.100 0.000 2.539 155 H HA 0.110 nan 4.556 nan 0.000 0.267 155 H C -0.436 174.949 175.328 0.095 0.000 0.982 155 H CA -0.424 55.674 56.048 0.084 0.000 1.146 155 H CB -0.204 29.605 29.762 0.078 0.000 1.382 155 H HN -0.265 7.694 8.280 -0.393 0.085 0.577 156 R N 0.465 121.068 120.500 0.172 0.000 2.438 156 R HA 0.125 nan 4.340 nan 0.000 0.287 156 R C -0.633 175.690 176.300 0.038 0.000 1.077 156 R CA 0.150 56.324 56.100 0.123 0.000 1.034 156 R CB 0.519 30.910 30.300 0.152 0.000 0.993 156 R HN -0.732 7.582 8.270 0.151 0.047 0.459 157 T N -2.853 111.667 114.554 -0.056 0.000 2.896 157 T HA 0.495 nan 4.350 nan 0.000 0.297 157 T C -2.009 172.542 174.700 -0.248 0.000 1.108 157 T CA -2.286 59.725 62.100 -0.148 0.000 1.004 157 T CB 3.128 71.893 68.868 -0.171 0.000 1.159 157 T HN 0.125 8.316 8.240 -0.082 0.000 0.499 158 L N 2.384 123.451 121.223 -0.260 0.000 2.278 158 L HA 0.703 nan 4.340 nan 0.000 0.287 158 L C -1.668 174.949 176.870 -0.422 0.000 1.072 158 L CA -0.811 53.854 54.840 -0.291 0.000 0.819 158 L CB 0.910 42.833 42.059 -0.226 0.000 1.176 158 L HN -0.142 7.949 8.230 -0.232 0.000 0.435 159 L N 6.971 127.842 121.223 -0.587 0.000 2.399 159 L HA 0.640 nan 4.340 nan 0.000 0.266 159 L C -1.431 175.092 176.870 -0.580 0.000 1.114 159 L CA -0.866 53.523 54.840 -0.750 0.000 0.804 159 L CB 1.069 42.352 42.059 -1.292 0.000 1.146 159 L HN 0.861 8.732 8.230 -0.599 0.000 0.451 160 M N 1.323 120.637 119.600 -0.478 0.000 2.206 160 M HA 0.274 nan 4.480 nan 0.000 0.272 160 M C -2.607 173.510 176.300 -0.304 0.000 1.012 160 M CA -0.222 54.754 55.300 -0.541 0.000 0.986 160 M CB 2.738 34.932 32.600 -0.676 0.000 1.740 160 M HN -0.205 7.817 8.290 -0.446 0.000 0.472 161 N N 5.158 123.742 118.700 -0.193 0.000 2.629 161 N HA 0.384 nan 4.740 nan 0.000 0.279 161 N C -2.497 172.952 175.510 -0.101 0.000 1.344 161 N CA -0.918 52.072 53.050 -0.100 0.000 0.789 161 N CB 4.479 42.899 38.487 -0.112 0.000 1.508 161 N HN 0.034 8.279 8.380 -0.225 0.000 0.516 162 E N 0.225 120.346 120.200 -0.132 0.000 2.383 162 E HA 0.094 nan 4.350 nan 0.000 0.264 162 E C -0.634 175.770 176.600 -0.326 0.000 1.050 162 E CA 0.230 56.423 56.400 -0.345 0.000 0.896 162 E CB 1.065 30.573 29.700 -0.320 0.000 0.982 162 E HN 0.134 8.434 8.360 -0.101 0.000 0.424 163 L N 5.338 126.343 121.223 -0.364 0.000 2.584 163 L HA -0.269 nan 4.340 nan 0.000 0.272 163 L C -0.124 176.566 176.870 -0.299 0.000 1.195 163 L CA 1.822 56.482 54.840 -0.301 0.000 0.920 163 L CB -0.065 41.839 42.059 -0.258 0.000 1.173 163 L HN 0.328 8.196 8.230 -0.460 0.086 0.489 164 G N 4.508 113.133 108.800 -0.290 0.000 2.307 164 G HA2 -0.255 nan 3.960 nan 0.000 0.210 164 G HA3 -0.255 nan 3.960 nan 0.000 0.210 164 G C -0.982 173.775 174.900 -0.240 0.000 1.005 164 G CA -0.253 44.691 45.100 -0.260 0.000 0.634 164 G HN -0.051 8.053 8.290 -0.310 0.000 0.496 165 V N 2.773 122.541 119.914 -0.244 0.000 2.408 165 V HA 0.450 nan 4.120 nan 0.000 0.267 165 V C -2.131 173.807 176.094 -0.260 0.000 1.047 165 V CA -3.538 58.649 62.300 -0.187 0.000 0.937 165 V CB 0.219 31.980 31.823 -0.104 0.000 0.999 165 V HN -0.427 7.552 8.190 -0.264 0.052 0.472 166 P HA 0.000 nan 4.420 nan 0.000 0.269 166 P C -0.780 176.433 177.300 -0.144 0.000 1.217 166 P CA -0.694 62.256 63.100 -0.251 0.000 0.783 166 P CB 0.752 32.399 31.700 -0.089 0.000 0.898 167 F N -0.355 119.628 119.950 0.055 0.000 2.600 167 F HA 0.091 nan 4.527 nan 0.000 0.345 167 F C -0.354 175.574 175.800 0.212 0.000 1.271 167 F CA -0.914 57.102 58.000 0.026 0.000 1.138 167 F CB -1.441 37.534 39.000 -0.041 0.000 1.449 167 F HN 0.300 8.442 8.300 -0.264 0.000 0.645 168 H N -0.428 118.817 119.070 0.292 0.000 2.530 168 H HA 0.554 nan 4.556 nan 0.000 0.342 168 H C 0.723 176.239 175.328 0.313 0.000 1.312 168 H CA -2.190 53.989 56.048 0.219 0.000 1.376 168 H CB 1.561 31.372 29.762 0.081 0.000 1.692 168 H HN 0.148 8.404 8.280 0.025 0.039 0.622 169 L N -1.730 119.601 121.223 0.179 0.000 2.353 169 L HA -0.213 nan 4.340 nan 0.000 0.220 169 L C 1.119 178.048 176.870 0.098 0.000 1.133 169 L CA 1.765 56.681 54.840 0.127 0.000 0.798 169 L CB -0.510 41.579 42.059 0.051 0.000 0.922 169 L HN 0.705 9.072 8.230 0.228 0.000 0.445 170 G N -3.587 105.213 108.800 -0.001 0.000 3.284 170 G HA2 0.101 nan 3.960 nan 0.000 0.236 170 G HA3 0.101 nan 3.960 nan 0.000 0.236 170 G C -0.255 174.549 174.900 -0.160 0.000 1.158 170 G CA -0.458 44.646 45.100 0.006 0.000 0.774 170 G HN -0.658 7.530 8.290 -0.052 0.071 0.545 171 T N 2.305 116.684 114.554 -0.292 0.000 2.919 171 T HA -0.077 nan 4.350 nan 0.000 0.302 171 T C -0.418 174.168 174.700 -0.191 0.000 1.031 171 T CA 1.050 62.998 62.100 -0.254 0.000 1.127 171 T CB 0.313 69.022 68.868 -0.266 0.000 0.952 171 T HN -0.571 7.462 8.240 -0.235 0.067 0.540 172 R N 4.856 125.234 120.500 -0.203 0.000 2.298 172 R HA 0.074 nan 4.340 nan 0.000 0.310 172 R C -0.835 175.287 176.300 -0.298 0.000 1.068 172 R CA -0.303 55.676 56.100 -0.202 0.000 0.957 172 R CB 0.878 31.071 30.300 -0.178 0.000 1.003 172 R HN 0.361 8.517 8.270 -0.190 0.000 0.454 173 Q N 4.677 124.317 119.800 -0.266 0.000 2.337 173 Q HA 0.060 nan 4.340 nan 0.000 0.255 173 Q C -0.102 175.744 176.000 -0.256 0.000 0.997 173 Q CA 0.553 56.166 55.803 -0.317 0.000 0.925 173 Q CB 0.266 28.860 28.738 -0.240 0.000 1.212 173 Q HN 0.388 8.547 8.270 -0.185 0.000 0.436 174 V N 3.503 123.230 119.914 -0.312 0.000 2.719 174 V HA -0.092 nan 4.120 nan 0.000 0.252 174 V C -0.784 175.162 176.094 -0.247 0.000 1.065 174 V CA 1.608 63.720 62.300 -0.315 0.000 1.086 174 V CB -0.019 31.487 31.823 -0.529 0.000 0.700 174 V HN 0.917 8.785 8.190 -0.362 0.105 0.467 175 c N -5.905 112.559 118.600 -0.227 0.000 3.259 175 c HA 0.202 nan 4.570 nan 0.000 0.344 175 c C -1.795 172.201 174.090 -0.156 0.000 1.401 175 c CA -2.179 54.050 56.329 -0.168 0.000 1.219 175 c CB 1.405 43.813 42.510 -0.169 0.000 1.521 175 c HN -0.819 7.262 8.230 -0.248 0.000 0.455 176 I N 0.694 121.183 120.570 -0.135 0.000 2.342 176 I HA 0.314 nan 4.170 nan 0.000 0.291 176 I C -1.202 174.802 176.117 -0.188 0.000 1.010 176 I CA -0.207 61.018 61.300 -0.126 0.000 1.308 176 I CB 0.362 38.304 38.000 -0.096 0.000 1.400 176 I HN 0.287 8.420 8.210 -0.128 0.000 0.488 177 A N 6.549 129.266 122.820 -0.171 0.000 2.547 177 A HA 0.316 nan 4.320 nan 0.000 0.298 177 A C -2.107 175.436 177.584 -0.068 0.000 1.062 177 A CA -0.009 51.889 52.037 -0.232 0.000 0.748 177 A CB 2.399 21.283 19.000 -0.194 0.000 1.288 177 A HN 0.235 8.320 8.150 -0.108 0.000 0.396 178 W N -2.191 119.080 121.300 -0.049 0.000 2.991 178 W HA 0.367 nan 4.660 nan 0.000 0.391 178 W C -1.602 174.908 176.519 -0.015 0.000 1.054 178 W CA -2.280 55.048 57.345 -0.030 0.000 1.856 178 W CB 1.116 30.561 29.460 -0.026 0.000 1.132 178 W HN 0.771 8.636 8.180 -0.526 0.000 0.601 179 S N 0.046 115.884 115.700 0.230 0.000 2.548 179 S HA 0.198 nan 4.470 nan 0.000 0.278 179 S C -2.356 172.250 174.600 0.011 0.000 1.150 179 S CA 0.266 58.578 58.200 0.187 0.000 0.907 179 S CB 1.089 64.465 63.200 0.292 0.000 1.108 179 S HN -0.769 7.464 8.310 -0.009 0.072 0.459 180 S N 4.270 119.992 115.700 0.036 0.000 2.727 180 S HA 0.868 nan 4.470 nan 0.000 0.278 180 S C -2.661 171.917 174.600 -0.038 0.000 1.186 180 S CA -0.714 57.483 58.200 -0.006 0.000 0.836 180 S CB 3.317 66.546 63.200 0.048 0.000 1.186 180 S HN 0.188 8.812 8.310 0.084 -0.263 0.499 181 S N -1.522 114.158 115.700 -0.034 0.000 2.579 181 S HA 0.230 nan 4.470 nan 0.000 0.290 181 S C -2.429 172.186 174.600 0.025 0.000 1.123 181 S CA 0.781 58.905 58.200 -0.126 0.000 0.894 181 S CB 1.128 64.263 63.200 -0.109 0.000 1.095 181 S HN -0.171 8.148 8.310 0.016 0.000 0.450 182 S N 4.742 120.462 115.700 0.033 0.000 2.595 182 S HA 0.958 nan 4.470 nan 0.000 0.281 182 S C -1.402 173.330 174.600 0.221 0.000 1.117 182 S CA -1.327 56.964 58.200 0.152 0.000 0.873 182 S CB 3.735 66.991 63.200 0.094 0.000 1.108 182 S HN 0.006 8.270 8.310 -0.078 0.000 0.477 183 c N -1.762 117.021 118.600 0.305 0.000 3.312 183 c HA 0.635 nan 4.570 nan 0.000 0.332 183 c C -2.433 171.675 174.090 0.031 0.000 1.340 183 c CA -1.696 54.772 56.329 0.231 0.000 1.265 183 c CB 3.249 45.858 42.510 0.164 0.000 1.563 183 c HN 0.393 8.793 8.230 0.284 0.000 0.471 184 H N 1.037 119.918 119.070 -0.316 0.000 2.495 184 H HA 0.412 nan 4.556 nan 0.000 0.348 184 H C -0.064 175.152 175.328 -0.186 0.000 1.113 184 H CA -1.313 54.399 56.048 -0.561 0.000 1.195 184 H CB 3.245 32.358 29.762 -1.083 0.000 1.521 184 H HN 0.520 8.799 8.280 -0.002 0.000 0.509 185 D N 4.804 125.094 120.400 -0.184 0.000 2.349 185 D HA 0.051 nan 4.640 nan 0.000 0.214 185 D C 0.929 177.303 176.300 0.124 0.000 1.063 185 D CA -1.277 52.733 54.000 0.017 0.000 0.847 185 D CB 0.691 41.502 40.800 0.018 0.000 0.933 185 D HN 0.083 8.175 8.370 -0.463 0.000 0.513 186 G N -0.362 108.572 108.800 0.224 0.000 2.352 186 G HA2 -0.346 nan 3.960 nan 0.000 0.204 186 G HA3 -0.346 nan 3.960 nan 0.000 0.204 186 G C 0.562 175.594 174.900 0.221 0.000 1.004 186 G CA 0.587 45.822 45.100 0.225 0.000 0.648 186 G HN -0.334 8.066 8.290 0.333 0.090 0.491 187 K N 0.974 121.422 120.400 0.079 0.000 2.435 187 K HA 0.233 nan 4.320 nan 0.000 0.199 187 K C -1.022 175.464 176.600 -0.191 0.000 1.153 187 K CA -0.038 56.262 56.287 0.022 0.000 0.974 187 K CB 3.017 35.548 32.500 0.052 0.000 0.997 187 K HN 0.012 8.512 8.250 0.067 -0.210 0.547 188 A N -1.621 120.821 122.820 -0.630 0.000 2.586 188 A HA 0.340 nan 4.320 nan 0.000 0.290 188 A C -2.560 174.438 177.584 -0.977 0.000 1.086 188 A CA -0.278 51.302 52.037 -0.761 0.000 0.665 188 A CB 2.339 20.832 19.000 -0.845 0.000 1.279 188 A HN -0.123 7.934 8.150 -0.715 -0.336 0.423 189 W N -2.367 118.582 121.300 -0.584 0.000 2.303 189 W HA 0.602 nan 4.660 nan 0.000 0.334 189 W C -1.135 175.151 176.519 -0.388 0.000 1.197 189 W CA -0.319 56.776 57.345 -0.417 0.000 1.262 189 W CB 1.928 31.153 29.460 -0.392 0.000 1.153 189 W HN 0.326 8.382 8.180 -0.205 0.000 0.596 190 L N 0.674 121.898 121.223 0.002 0.000 2.365 190 L HA 0.676 nan 4.340 nan 0.000 0.273 190 L C -2.252 174.592 176.870 -0.043 0.000 1.000 190 L CA -1.063 53.839 54.840 0.105 0.000 0.819 190 L CB 3.424 45.612 42.059 0.216 0.000 1.284 190 L HN 0.679 8.956 8.230 0.079 0.000 0.418 191 H N 5.411 124.593 119.070 0.187 0.000 2.970 191 H HA 0.463 nan 4.556 nan 0.000 0.315 191 H C -1.613 173.699 175.328 -0.026 0.000 0.992 191 H CA -1.250 54.841 56.048 0.073 0.000 1.363 191 H CB 1.846 31.624 29.762 0.027 0.000 1.532 191 H HN 0.350 8.756 8.280 0.210 0.000 0.514 192 V N 2.160 122.085 119.914 0.018 0.000 2.385 192 V HA 0.572 nan 4.120 nan 0.000 0.269 192 V C -2.058 173.886 176.094 -0.250 0.000 1.043 192 V CA -1.950 60.178 62.300 -0.286 0.000 0.906 192 V CB -0.136 31.479 31.823 -0.347 0.000 0.995 192 V HN 0.562 8.791 8.190 0.065 0.000 0.467 193 c N 8.345 126.753 118.600 -0.321 0.000 2.379 193 c HA 0.813 nan 4.570 nan 0.000 0.323 193 c C -1.077 172.780 174.090 -0.387 0.000 1.262 193 c CA -2.094 54.064 56.329 -0.284 0.000 1.581 193 c CB 1.237 43.615 42.510 -0.221 0.000 2.221 193 c HN 0.548 8.546 8.230 -0.388 0.000 0.497 194 I N 4.041 124.331 120.570 -0.467 0.000 2.436 194 I HA 0.654 nan 4.170 nan 0.000 0.289 194 I C -1.518 173.913 176.117 -1.144 0.000 1.010 194 I CA -0.766 60.112 61.300 -0.703 0.000 1.098 194 I CB 1.836 39.407 38.000 -0.713 0.000 1.266 194 I HN 0.099 8.064 8.210 -0.408 0.000 0.434 195 T N 5.050 119.013 114.554 -0.985 0.000 2.787 195 T HA 0.598 nan 4.350 nan 0.000 0.297 195 T C -1.716 172.721 174.700 -0.438 0.000 1.221 195 T CA -1.732 59.766 62.100 -1.003 0.000 1.006 195 T CB 3.513 72.120 68.868 -0.435 0.000 1.328 195 T HN 0.614 8.454 8.240 -0.667 0.000 0.509 196 G N -1.057 107.751 108.800 0.013 0.000 2.331 196 G HA2 -0.161 nan 3.960 nan 0.000 0.402 196 G HA3 -0.161 nan 3.960 nan 0.000 0.402 196 G C -2.403 172.674 174.900 0.296 0.000 1.275 196 G CA -0.334 44.838 45.100 0.120 0.000 1.003 196 G HN -0.042 8.381 8.290 0.223 0.000 0.500 197 D N 0.894 121.391 120.400 0.162 0.000 2.339 197 D HA 0.075 nan 4.640 nan 0.000 0.245 197 D C 0.581 176.975 176.300 0.157 0.000 1.115 197 D CA 0.138 54.209 54.000 0.118 0.000 0.917 197 D CB 0.974 41.807 40.800 0.055 0.000 1.192 197 D HN 0.227 8.659 8.370 0.103 0.000 0.428 198 D N 2.696 123.136 120.400 0.067 0.000 2.097 198 D HA -0.239 nan 4.640 nan 0.000 0.195 198 D C 1.685 178.009 176.300 0.040 0.000 0.989 198 D CA 2.997 57.016 54.000 0.033 0.000 0.827 198 D CB -0.265 40.487 40.800 -0.081 0.000 0.966 198 D HN 0.301 8.678 8.370 0.012 0.000 0.456 199 K N -3.821 116.588 120.400 0.015 0.000 2.515 199 K HA -0.149 nan 4.320 nan 0.000 0.196 199 K C 0.309 176.915 176.600 0.011 0.000 1.038 199 K CA 1.149 57.439 56.287 0.005 0.000 0.967 199 K CB -0.689 31.811 32.500 0.000 0.000 0.780 199 K HN 0.224 8.479 8.250 0.009 0.000 0.483 200 N N -2.728 115.989 118.700 0.029 0.000 2.577 200 N HA 0.042 nan 4.740 nan 0.000 0.285 200 N C -1.611 173.912 175.510 0.022 0.000 1.658 200 N CA -0.734 52.327 53.050 0.018 0.000 0.865 200 N CB 1.161 39.659 38.487 0.019 0.000 1.419 200 N HN -0.730 7.487 8.380 0.054 0.196 0.495 201 A N -0.148 122.698 122.820 0.044 0.000 2.387 201 A HA 0.091 nan 4.320 nan 0.000 0.251 201 A C -1.680 175.854 177.584 -0.083 0.000 1.113 201 A CA 0.775 52.820 52.037 0.012 0.000 0.794 201 A CB 0.953 19.993 19.000 0.066 0.000 1.069 201 A HN -0.705 7.482 8.150 0.063 0.000 0.506 202 T N -2.973 111.485 114.554 -0.160 0.000 2.916 202 T HA 0.682 nan 4.350 nan 0.000 0.305 202 T C -2.558 172.002 174.700 -0.232 0.000 1.119 202 T CA -1.278 60.739 62.100 -0.139 0.000 1.008 202 T CB 2.776 71.596 68.868 -0.080 0.000 1.129 202 T HN 0.311 8.405 8.240 -0.244 0.000 0.480 203 A N 5.036 127.741 122.820 -0.192 0.000 2.331 203 A HA 0.910 nan 4.320 nan 0.000 0.320 203 A C -2.096 175.305 177.584 -0.305 0.000 1.138 203 A CA -2.323 49.522 52.037 -0.321 0.000 0.790 203 A CB 2.318 21.108 19.000 -0.351 0.000 1.206 203 A HN 0.678 8.772 8.150 -0.093 0.000 0.470 204 S N 2.902 118.387 115.700 -0.358 0.000 2.475 204 S HA 0.794 nan 4.470 nan 0.000 0.298 204 S C -1.069 173.322 174.600 -0.349 0.000 1.119 204 S CA -1.317 56.760 58.200 -0.204 0.000 1.085 204 S CB 1.599 64.733 63.200 -0.110 0.000 1.028 204 S HN 0.880 8.852 8.310 -0.386 0.107 0.489 205 F N 4.358 124.325 119.950 0.028 0.000 2.308 205 F HA 0.411 nan 4.527 nan 0.000 0.370 205 F C -1.144 174.708 175.800 0.086 0.000 1.100 205 F CA -1.092 56.942 58.000 0.056 0.000 1.108 205 F CB 0.734 39.759 39.000 0.042 0.000 1.293 205 F HN 1.054 9.413 8.300 0.268 0.101 0.478 206 I N 4.377 125.075 120.570 0.213 0.000 2.304 206 I HA 0.312 nan 4.170 nan 0.000 0.291 206 I C -2.059 174.220 176.117 0.270 0.000 1.018 206 I CA -0.535 60.892 61.300 0.211 0.000 1.260 206 I CB 0.931 39.034 38.000 0.172 0.000 1.390 206 I HN 0.171 8.479 8.210 0.164 0.000 0.475 207 Y N 9.266 129.630 120.300 0.107 0.000 2.376 207 Y HA 0.187 nan 4.550 nan 0.000 0.340 207 Y C -1.097 174.842 175.900 0.064 0.000 0.965 207 Y CA -1.296 56.846 58.100 0.070 0.000 1.078 207 Y CB 3.184 41.679 38.460 0.058 0.000 1.193 207 Y HN 0.346 8.804 8.280 0.296 0.000 0.452 208 D N 9.494 129.614 120.400 -0.467 0.000 2.772 208 D HA -0.392 nan 4.640 nan 0.000 0.233 208 D C -0.220 176.034 176.300 -0.077 0.000 1.143 208 D CA 1.174 54.963 54.000 -0.352 0.000 0.700 208 D CB -0.764 39.787 40.800 -0.414 0.000 1.076 208 D HN 0.467 8.506 8.370 -0.551 0.000 0.430 209 G N -5.321 103.480 108.800 0.002 0.000 2.241 209 G HA2 -0.443 nan 3.960 nan 0.000 0.244 209 G HA3 -0.443 nan 3.960 nan 0.000 0.244 209 G C -1.050 173.881 174.900 0.052 0.000 0.998 209 G CA 0.180 45.302 45.100 0.036 0.000 0.621 209 G HN 0.551 8.828 8.290 0.018 0.024 0.519 210 R N -0.767 119.776 120.500 0.072 0.000 2.732 210 R HA 0.321 nan 4.340 nan 0.000 0.278 210 R C -1.689 174.675 176.300 0.107 0.000 0.976 210 R CA -1.979 54.169 56.100 0.079 0.000 0.963 210 R CB 1.930 32.277 30.300 0.078 0.000 1.150 210 R HN -0.555 7.689 8.270 0.078 0.073 0.478 211 L N 2.358 123.633 121.223 0.086 0.000 2.325 211 L HA 0.043 nan 4.340 nan 0.000 0.284 211 L C -0.187 176.747 176.870 0.107 0.000 1.089 211 L CA 0.773 55.670 54.840 0.096 0.000 0.836 211 L CB 0.211 42.307 42.059 0.062 0.000 1.184 211 L HN 0.154 8.423 8.230 0.066 0.000 0.444 212 V N 6.462 126.461 119.914 0.143 0.000 3.307 212 V HA 0.227 nan 4.120 nan 0.000 0.253 212 V C -0.456 175.700 176.094 0.103 0.000 1.149 212 V CA 0.861 63.232 62.300 0.120 0.000 1.112 212 V CB 0.918 32.817 31.823 0.126 0.000 0.777 212 V HN 0.700 8.996 8.190 0.177 0.000 0.464 213 D N -3.194 117.301 120.400 0.159 0.000 2.683 213 D HA 0.248 nan 4.640 nan 0.000 0.246 213 D C -2.542 173.933 176.300 0.292 0.000 1.238 213 D CA -0.181 53.912 54.000 0.155 0.000 0.759 213 D CB 3.330 44.163 40.800 0.055 0.000 1.349 213 D HN -0.646 7.850 8.370 0.211 0.000 0.426 214 S N 0.537 116.378 115.700 0.235 0.000 2.651 214 S HA 1.016 nan 4.470 nan 0.000 0.279 214 S C -1.589 173.154 174.600 0.240 0.000 1.148 214 S CA -1.616 56.738 58.200 0.255 0.000 0.837 214 S CB 3.244 66.512 63.200 0.112 0.000 1.138 214 S HN 0.091 8.492 8.310 0.152 0.000 0.478 215 I N -0.849 119.862 120.570 0.235 0.000 3.004 215 I HA 0.328 nan 4.170 nan 0.000 0.305 215 I C -1.773 174.427 176.117 0.138 0.000 1.312 215 I CA -0.656 60.776 61.300 0.220 0.000 0.992 215 I CB 4.496 42.707 38.000 0.351 0.000 1.282 215 I HN 0.127 8.442 8.210 0.175 0.000 0.449 216 G N 2.740 111.620 108.800 0.134 0.000 2.489 216 G HA2 0.458 nan 3.960 nan 0.000 0.327 216 G HA3 0.458 nan 3.960 nan 0.000 0.327 216 G C -1.869 173.058 174.900 0.045 0.000 1.189 216 G CA -1.612 43.525 45.100 0.061 0.000 0.962 216 G HN 0.003 8.396 8.290 0.171 0.000 0.486 217 S N 0.228 115.890 115.700 -0.062 0.000 2.563 217 S HA -0.183 nan 4.470 nan 0.000 0.294 217 S C 0.052 174.630 174.600 -0.037 0.000 1.279 217 S CA 0.740 58.827 58.200 -0.188 0.000 1.069 217 S CB 0.835 63.958 63.200 -0.128 0.000 0.828 217 S HN -0.169 8.109 8.310 -0.053 0.000 0.497 218 W N 4.006 125.326 121.300 0.033 0.000 3.127 218 W HA 0.391 nan 4.660 nan 0.000 0.344 218 W C -1.172 175.360 176.519 0.022 0.000 1.151 218 W CA -2.044 55.315 57.345 0.024 0.000 1.765 218 W CB 0.427 29.900 29.460 0.022 0.000 1.085 218 W HN 0.119 7.973 8.180 -0.835 -0.175 0.596 219 S N -1.354 114.369 115.700 0.039 0.000 3.101 219 S HA 0.117 nan 4.470 nan 0.000 0.252 219 S C -0.715 173.883 174.600 -0.003 0.000 0.920 219 S CA -0.201 58.040 58.200 0.069 0.000 1.158 219 S CB 1.332 64.587 63.200 0.093 0.000 1.125 219 S HN -0.625 7.749 8.310 -0.150 -0.154 0.608 220 Q N -2.796 116.991 119.800 -0.022 0.000 2.374 220 Q HA -0.362 nan 4.340 nan 0.000 0.281 220 Q C -1.603 174.381 176.000 -0.027 0.000 1.154 220 Q CA 1.330 57.122 55.803 -0.019 0.000 0.926 220 Q CB -1.727 27.014 28.738 0.004 0.000 1.308 220 Q HN 0.301 8.562 8.270 -0.014 0.000 0.520 221 N N -1.640 117.031 118.700 -0.050 0.000 2.710 221 N HA 0.160 nan 4.740 nan 0.000 0.244 221 N C -1.880 173.601 175.510 -0.049 0.000 1.321 221 N CA -0.568 52.458 53.050 -0.040 0.000 0.758 221 N CB 0.710 39.179 38.487 -0.031 0.000 1.284 221 N HN -0.479 8.082 8.380 -0.083 -0.231 0.530 222 I N 0.729 121.284 120.570 -0.026 0.000 7.907 222 I HA -0.585 nan 4.170 nan 0.000 0.126 222 I C -1.468 174.669 176.117 0.033 0.000 1.799 222 I CA 0.885 62.198 61.300 0.022 0.000 2.135 222 I CB -1.686 36.283 38.000 -0.052 0.000 3.645 222 I HN 0.043 8.137 8.210 -0.014 0.107 0.198 223 L N 6.915 128.155 121.223 0.028 0.000 2.477 223 L HA -0.007 nan 4.340 nan 0.000 0.272 223 L C -1.522 175.379 176.870 0.051 0.000 1.157 223 L CA 0.768 55.521 54.840 -0.145 0.000 0.889 223 L CB -0.100 41.783 42.059 -0.292 0.000 1.158 223 L HN 0.280 8.565 8.230 0.093 0.000 0.473 224 R N 3.363 123.870 120.500 0.011 0.000 2.836 224 R HA 0.680 nan 4.340 nan 0.000 0.269 224 R C -2.084 174.242 176.300 0.043 0.000 1.010 224 R CA -2.171 53.988 56.100 0.098 0.000 0.930 224 R CB 3.250 33.632 30.300 0.137 0.000 1.218 224 R HN 0.601 8.830 8.270 -0.068 0.000 0.473 225 T N -2.252 112.335 114.554 0.056 0.000 2.654 225 T HA 0.494 nan 4.350 nan 0.000 0.289 225 T C 0.802 175.524 174.700 0.035 0.000 1.062 225 T CA -1.811 60.310 62.100 0.035 0.000 1.041 225 T CB 2.334 71.204 68.868 0.005 0.000 1.417 225 T HN -0.086 8.208 8.240 0.089 0.000 0.510 226 Q N 1.092 120.894 119.800 0.003 0.000 2.118 226 Q HA -0.402 nan 4.340 nan 0.000 0.211 226 Q C 1.209 177.201 176.000 -0.013 0.000 0.998 226 Q CA 3.196 58.990 55.803 -0.016 0.000 0.872 226 Q CB 0.309 29.014 28.738 -0.055 0.000 0.925 226 Q HN 0.507 8.777 8.270 -0.001 0.000 0.414 227 E N -7.327 112.835 120.200 -0.064 0.000 3.181 227 E HA -0.383 nan 4.350 nan 0.000 0.293 227 E C -1.810 174.638 176.600 -0.254 0.000 0.936 227 E CA 1.130 57.514 56.400 -0.027 0.000 0.975 227 E CB -1.780 28.053 29.700 0.221 0.000 1.496 227 E HN 0.194 8.503 8.360 -0.085 0.000 0.429 228 S N -4.899 110.447 115.700 -0.590 0.000 2.703 228 S HA 0.242 nan 4.470 nan 0.000 0.273 228 S C -1.969 172.265 174.600 -0.610 0.000 1.178 228 S CA -0.856 56.957 58.200 -0.646 0.000 0.838 228 S CB 2.494 65.714 63.200 0.034 0.000 1.178 228 S HN -0.889 7.099 8.310 -0.493 0.027 0.494 229 E N -1.688 118.389 120.200 -0.205 0.000 2.398 229 E HA 0.082 nan 4.350 nan 0.000 0.263 229 E C 0.103 176.704 176.600 0.001 0.000 1.046 229 E CA -0.324 56.059 56.400 -0.028 0.000 0.908 229 E CB 0.533 30.351 29.700 0.197 0.000 0.963 229 E HN 0.216 8.589 8.360 0.022 0.000 0.431 230 c N -0.560 118.057 118.600 0.027 0.000 2.638 230 c HA 0.810 nan 4.570 nan 0.000 0.348 230 c C -0.604 173.521 174.090 0.058 0.000 1.860 230 c CA -2.186 54.158 56.329 0.025 0.000 1.955 230 c CB 1.180 43.710 42.510 0.034 0.000 1.922 230 c HN -0.203 7.945 8.230 0.057 0.117 0.519 231 V N -3.548 116.390 119.914 0.039 0.000 2.969 231 V HA 0.487 nan 4.120 nan 0.000 0.304 231 V C -2.682 173.472 176.094 0.100 0.000 1.192 231 V CA -0.836 61.509 62.300 0.076 0.000 0.962 231 V CB 3.739 35.536 31.823 -0.043 0.000 1.045 231 V HN -0.199 7.997 8.190 0.009 0.000 0.428 232 c N 5.203 123.939 118.600 0.227 0.000 2.498 232 c HA 0.820 nan 4.570 nan 0.000 0.316 232 c C -1.298 172.960 174.090 0.280 0.000 1.209 232 c CA -2.102 54.331 56.329 0.173 0.000 1.518 232 c CB 2.106 44.674 42.510 0.097 0.000 2.147 232 c HN 0.536 9.010 8.230 0.407 0.000 0.483 233 I N 1.235 121.910 120.570 0.175 0.000 2.468 233 I HA 0.109 nan 4.170 nan 0.000 0.285 233 I C -0.785 175.385 176.117 0.089 0.000 1.039 233 I CA -0.687 60.748 61.300 0.225 0.000 1.074 233 I CB 2.092 40.240 38.000 0.246 0.000 1.228 233 I HN 0.309 8.578 8.210 0.099 0.000 0.436 234 N N 8.203 126.943 118.700 0.066 0.000 2.776 234 N HA -0.376 nan 4.740 nan 0.000 0.250 234 N C -0.428 174.895 175.510 -0.312 0.000 1.112 234 N CA 1.382 54.439 53.050 0.012 0.000 0.733 234 N CB -1.561 36.971 38.487 0.075 0.000 1.097 234 N HN 1.184 9.632 8.380 0.113 0.000 0.558 235 G N -7.067 101.346 108.800 -0.645 0.000 2.213 235 G HA2 -0.453 nan 3.960 nan 0.000 0.226 235 G HA3 -0.453 nan 3.960 nan 0.000 0.226 235 G C -1.332 173.286 174.900 -0.470 0.000 0.992 235 G CA 0.275 44.675 45.100 -1.167 0.000 0.632 235 G HN 0.244 8.278 8.290 -0.382 0.026 0.511 236 T N 3.988 118.420 114.554 -0.204 0.000 2.743 236 T HA 0.487 nan 4.350 nan 0.000 0.292 236 T C -0.928 173.766 174.700 -0.009 0.000 0.972 236 T CA -0.228 61.843 62.100 -0.048 0.000 0.967 236 T CB 0.518 69.442 68.868 0.093 0.000 0.926 236 T HN -0.714 7.365 8.240 -0.159 0.065 0.459 237 c N 7.421 126.003 118.600 -0.031 0.000 2.351 237 c HA 0.801 nan 4.570 nan 0.000 0.359 237 c C -0.702 173.331 174.090 -0.096 0.000 1.193 237 c CA -1.157 55.157 56.329 -0.025 0.000 2.270 237 c CB 1.612 44.118 42.510 -0.006 0.000 2.369 237 c HN 0.745 8.940 8.230 -0.059 0.000 0.553 238 T N 2.923 117.396 114.554 -0.136 0.000 2.861 238 T HA 0.543 nan 4.350 nan 0.000 0.287 238 T C -2.425 172.177 174.700 -0.163 0.000 1.003 238 T CA -0.555 61.363 62.100 -0.304 0.000 0.977 238 T CB 2.216 70.852 68.868 -0.387 0.000 0.996 238 T HN 0.367 8.564 8.240 -0.072 0.000 0.448 239 V N 5.745 125.574 119.914 -0.142 0.000 2.524 239 V HA 0.580 nan 4.120 nan 0.000 0.297 239 V C -2.538 173.544 176.094 -0.021 0.000 1.035 239 V CA -1.270 61.012 62.300 -0.031 0.000 0.867 239 V CB 3.276 35.148 31.823 0.081 0.000 1.004 239 V HN 0.003 8.066 8.190 -0.212 0.000 0.426 240 V N 5.571 125.474 119.914 -0.018 0.000 2.498 240 V HA 0.744 nan 4.120 nan 0.000 0.279 240 V C -1.387 174.752 176.094 0.074 0.000 1.048 240 V CA -2.011 60.300 62.300 0.018 0.000 0.967 240 V CB 0.207 32.029 31.823 -0.001 0.000 0.988 240 V HN 0.298 8.467 8.190 -0.035 0.000 0.473 241 M N 5.982 125.674 119.600 0.154 0.000 2.727 241 M HA 0.801 nan 4.480 nan 0.000 0.300 241 M C -1.817 174.636 176.300 0.255 0.000 1.246 241 M CA -1.198 54.222 55.300 0.200 0.000 0.835 241 M CB 4.847 37.634 32.600 0.312 0.000 1.755 241 M HN 0.653 9.044 8.290 0.167 0.000 0.473 242 T N -0.475 114.180 114.554 0.169 0.000 3.097 242 T HA 0.459 nan 4.350 nan 0.000 0.332 242 T C -2.935 171.751 174.700 -0.023 0.000 1.269 242 T CA -0.277 61.917 62.100 0.158 0.000 1.076 242 T CB 2.651 71.550 68.868 0.050 0.000 1.209 242 T HN 0.675 8.959 8.240 0.073 0.000 0.474 243 D N 6.249 126.636 120.400 -0.022 0.000 2.780 243 D HA 0.971 nan 4.640 nan 0.000 0.242 243 D C -1.349 174.939 176.300 -0.019 0.000 1.135 243 D CA -1.590 52.280 54.000 -0.217 0.000 0.859 243 D CB 3.903 44.266 40.800 -0.728 0.000 1.530 243 D HN 0.192 8.701 8.370 0.233 0.000 0.493 244 G N 4.275 113.059 108.800 -0.027 0.000 2.332 244 G HA2 -0.065 nan 3.960 nan 0.000 0.265 244 G HA3 -0.065 nan 3.960 nan 0.000 0.265 244 G C -2.316 172.585 174.900 0.002 0.000 1.329 244 G CA 0.242 45.349 45.100 0.011 0.000 0.949 244 G HN 0.407 8.664 8.290 -0.055 0.000 0.476 245 S N 0.276 115.972 115.700 -0.006 0.000 2.610 245 S HA 0.267 nan 4.470 nan 0.000 0.273 245 S C 0.943 175.574 174.600 0.051 0.000 1.274 245 S CA -1.836 56.341 58.200 -0.038 0.000 1.023 245 S CB 1.049 64.160 63.200 -0.148 0.000 0.962 245 S HN -0.197 8.105 8.310 -0.015 0.000 0.523 246 A N 4.262 127.091 122.820 0.016 0.000 1.843 246 A HA 0.020 nan 4.320 nan 0.000 0.213 246 A C 0.090 177.620 177.584 -0.090 0.000 1.202 246 A CA 2.251 54.350 52.037 0.102 0.000 0.607 246 A CB 0.126 19.160 19.000 0.056 0.000 0.847 246 A HN 0.466 8.597 8.150 -0.032 0.000 0.445 247 S N -1.394 114.181 115.700 -0.208 0.000 2.514 247 S HA 0.143 nan 4.470 nan 0.000 0.179 247 S C -1.585 172.607 174.600 -0.681 0.000 1.409 247 S CA -0.394 57.606 58.200 -0.334 0.000 1.138 247 S CB -0.518 62.645 63.200 -0.062 0.000 1.217 247 S HN -0.110 8.115 8.310 -0.141 0.000 0.493 248 G N -0.781 107.307 108.800 -1.187 0.000 2.451 248 G HA2 -0.017 nan 3.960 nan 0.000 0.292 248 G HA3 -0.017 nan 3.960 nan 0.000 0.292 248 G C -3.072 171.046 174.900 -1.302 0.000 1.427 248 G CA -0.158 44.099 45.100 -1.406 0.000 0.792 248 G HN -0.999 6.588 8.290 -1.092 0.048 0.498 249 R N -1.920 117.967 120.500 -1.021 0.000 2.734 249 R HA 0.036 nan 4.340 nan 0.000 0.266 249 R C -1.089 175.136 176.300 -0.125 0.000 1.044 249 R CA 1.282 57.141 56.100 -0.401 0.000 1.128 249 R CB 0.612 30.837 30.300 -0.126 0.000 1.010 249 R HN 0.193 7.906 8.270 -0.928 0.000 0.461 250 A N 2.580 125.426 122.820 0.043 0.000 2.567 250 A HA 0.445 nan 4.320 nan 0.000 0.289 250 A C -2.336 175.316 177.584 0.113 0.000 1.177 250 A CA -1.019 51.062 52.037 0.074 0.000 0.694 250 A CB 3.215 22.261 19.000 0.076 0.000 1.292 250 A HN 0.171 8.380 8.150 0.098 0.000 0.425 251 D N -0.557 119.947 120.400 0.173 0.000 2.440 251 D HA 0.264 nan 4.640 nan 0.000 0.239 251 D C -1.186 175.306 176.300 0.321 0.000 1.084 251 D CA -0.938 53.208 54.000 0.242 0.000 0.843 251 D CB 1.844 42.851 40.800 0.345 0.000 1.097 251 D HN 0.246 8.721 8.370 0.175 0.000 0.531 252 T N 6.210 120.872 114.554 0.180 0.000 2.779 252 T HA 0.565 nan 4.350 nan 0.000 0.280 252 T C -1.438 173.319 174.700 0.096 0.000 0.987 252 T CA -0.485 61.716 62.100 0.168 0.000 0.966 252 T CB 1.059 69.976 68.868 0.081 0.000 0.933 252 T HN 0.363 8.676 8.240 0.122 0.000 0.442 253 R N 4.432 124.999 120.500 0.111 0.000 2.888 253 R HA 1.007 nan 4.340 nan 0.000 0.266 253 R C -1.735 174.591 176.300 0.044 0.000 1.020 253 R CA -1.646 54.436 56.100 -0.030 0.000 0.963 253 R CB 4.228 34.333 30.300 -0.324 0.000 1.197 253 R HN 0.109 8.542 8.270 0.273 0.000 0.481 254 I N 1.138 121.727 120.570 0.033 0.000 2.420 254 I HA 0.420 nan 4.170 nan 0.000 0.282 254 I C -1.308 174.809 176.117 -0.000 0.000 1.019 254 I CA -0.991 60.310 61.300 0.001 0.000 1.130 254 I CB 0.939 38.946 38.000 0.012 0.000 1.262 254 I HN 0.793 8.914 8.210 0.040 0.112 0.454 255 L N 5.358 126.556 121.223 -0.042 0.000 2.371 255 L HA 0.509 nan 4.340 nan 0.000 0.272 255 L C -1.031 175.712 176.870 -0.212 0.000 1.124 255 L CA -0.413 54.409 54.840 -0.029 0.000 0.816 255 L CB 0.603 42.652 42.059 -0.016 0.000 1.129 255 L HN -0.103 8.119 8.230 -0.013 0.000 0.448 256 F N 1.740 121.648 119.950 -0.071 0.000 2.403 256 F HA 0.556 nan 4.527 nan 0.000 0.355 256 F C -1.470 174.257 175.800 -0.121 0.000 1.119 256 F CA -0.867 57.098 58.000 -0.058 0.000 1.007 256 F CB 1.643 40.599 39.000 -0.073 0.000 1.194 256 F HN 0.476 8.900 8.300 0.207 0.000 0.443 257 I N 3.270 123.818 120.570 -0.037 0.000 2.436 257 I HA 0.737 nan 4.170 nan 0.000 0.289 257 I C -2.412 173.632 176.117 -0.123 0.000 1.010 257 I CA -1.696 59.530 61.300 -0.124 0.000 1.098 257 I CB 3.143 41.001 38.000 -0.237 0.000 1.266 257 I HN 0.870 9.043 8.210 -0.062 0.000 0.434 258 E N 8.788 128.898 120.200 -0.150 0.000 2.145 258 E HA 0.319 nan 4.350 nan 0.000 0.270 258 E C -0.278 176.136 176.600 -0.310 0.000 0.906 258 E CA -1.288 54.992 56.400 -0.199 0.000 0.761 258 E CB 1.363 30.991 29.700 -0.119 0.000 1.116 258 E HN 0.645 8.921 8.360 -0.141 0.000 0.408 259 E N 4.863 124.724 120.200 -0.565 0.000 2.586 259 E HA -0.398 nan 4.350 nan 0.000 0.259 259 E C -0.903 175.241 176.600 -0.761 0.000 1.107 259 E CA 1.063 56.868 56.400 -0.991 0.000 0.754 259 E CB -1.590 27.863 29.700 -0.411 0.000 1.335 259 E HN 1.031 9.060 8.360 -0.551 0.000 0.411 260 G N -6.650 101.852 108.800 -0.497 0.000 2.241 260 G HA2 -0.379 nan 3.960 nan 0.000 0.244 260 G HA3 -0.379 nan 3.960 nan 0.000 0.244 260 G C -1.021 173.818 174.900 -0.103 0.000 0.998 260 G CA -0.069 44.966 45.100 -0.108 0.000 0.621 260 G HN 0.221 8.185 8.290 -0.495 0.028 0.519 261 K N 1.626 121.928 120.400 -0.164 0.000 2.227 261 K HA 0.152 nan 4.320 nan 0.000 0.280 261 K C -0.904 175.570 176.600 -0.210 0.000 1.041 261 K CA -2.018 54.178 56.287 -0.152 0.000 0.905 261 K CB 0.700 33.137 32.500 -0.106 0.000 1.068 261 K HN -0.497 7.441 8.250 -0.206 0.188 0.470 262 I N 7.809 128.220 120.570 -0.265 0.000 2.494 262 I HA -0.100 nan 4.170 nan 0.000 0.289 262 I C 0.457 176.478 176.117 -0.160 0.000 1.106 262 I CA 1.399 62.532 61.300 -0.278 0.000 1.369 262 I CB -0.745 37.058 38.000 -0.327 0.000 1.410 262 I HN -0.204 8.139 8.210 -0.248 -0.282 0.523 263 V N 1.880 121.728 119.914 -0.110 0.000 3.621 263 V HA 0.294 nan 4.120 nan 0.000 0.285 263 V C -1.202 174.829 176.094 -0.105 0.000 1.346 263 V CA -1.046 61.203 62.300 -0.086 0.000 1.104 263 V CB 0.298 32.094 31.823 -0.045 0.000 0.913 263 V HN 0.553 8.689 8.190 -0.090 0.000 0.432 264 H N -1.569 117.360 119.070 -0.236 0.000 2.988 264 H HA 0.130 nan 4.556 nan 0.000 0.284 264 H C -2.885 172.347 175.328 -0.160 0.000 1.284 264 H CA 0.389 56.227 56.048 -0.350 0.000 1.431 264 H CB 3.397 32.612 29.762 -0.912 0.000 1.954 264 H HN -0.708 7.483 8.280 -0.061 0.052 0.509 265 I N 3.810 124.255 120.570 -0.208 0.000 2.512 265 I HA 0.233 nan 4.170 nan 0.000 0.287 265 I C -1.366 174.785 176.117 0.057 0.000 1.069 265 I CA -0.565 60.733 61.300 -0.004 0.000 1.056 265 I CB 3.090 40.976 38.000 -0.189 0.000 1.229 265 I HN 0.232 7.934 8.210 -0.846 0.000 0.429 266 S N 7.410 123.261 115.700 0.251 0.000 2.501 266 S HA 0.579 nan 4.470 nan 0.000 0.301 266 S C -2.307 172.335 174.600 0.071 0.000 1.096 266 S CA -2.741 55.588 58.200 0.215 0.000 1.063 266 S CB 1.284 64.681 63.200 0.328 0.000 1.042 266 S HN 0.480 8.873 8.310 0.315 0.106 0.494 267 P HA 0.488 nan 4.420 nan 0.000 0.287 267 P C -1.584 175.732 177.300 0.028 0.000 1.270 267 P CA -1.056 62.034 63.100 -0.016 0.000 0.844 267 P CB 0.831 32.505 31.700 -0.043 0.000 1.068 268 L N 0.542 121.782 121.223 0.027 0.000 2.525 268 L HA -0.152 nan 4.340 nan 0.000 0.278 268 L C -0.656 176.239 176.870 0.041 0.000 1.218 268 L CA 1.345 56.209 54.840 0.040 0.000 0.878 268 L CB 0.345 42.431 42.059 0.045 0.000 1.127 268 L HN -0.181 8.059 8.230 0.017 0.000 0.492 269 A N 4.479 127.323 122.820 0.041 0.000 2.483 269 A HA 0.500 nan 4.320 nan 0.000 0.286 269 A C -1.654 175.953 177.584 0.037 0.000 1.207 269 A CA -1.617 50.443 52.037 0.039 0.000 0.764 269 A CB 2.542 21.564 19.000 0.036 0.000 1.341 269 A HN 0.221 8.395 8.150 0.040 0.000 0.428 270 G N -2.293 106.529 108.800 0.037 0.000 2.632 270 G HA2 -0.355 nan 3.960 nan 0.000 0.224 270 G HA3 -0.355 nan 3.960 nan 0.000 0.224 270 G C -0.100 174.833 174.900 0.054 0.000 1.341 270 G CA 0.426 45.547 45.100 0.036 0.000 0.880 270 G HN -0.221 8.090 8.290 0.036 0.000 0.566 271 S N 0.698 116.438 115.700 0.066 0.000 2.582 271 S HA 0.059 nan 4.470 nan 0.000 0.234 271 S C -0.316 174.399 174.600 0.192 0.000 0.961 271 S CA -0.220 58.047 58.200 0.111 0.000 0.953 271 S CB 0.553 63.816 63.200 0.105 0.000 0.800 271 S HN 0.054 8.308 8.310 0.053 0.087 0.471 272 A N 1.583 124.472 122.820 0.114 0.000 2.362 272 A HA 0.007 nan 4.320 nan 0.000 0.276 272 A C -0.124 177.586 177.584 0.211 0.000 1.153 272 A CA -0.074 52.009 52.037 0.078 0.000 0.813 272 A CB 0.068 18.989 19.000 -0.133 0.000 1.081 272 A HN -0.086 8.043 8.150 0.062 0.058 0.507 273 Q N 2.940 122.963 119.800 0.371 0.000 2.083 273 Q HA -0.210 nan 4.340 nan 0.000 0.198 273 Q C 0.370 176.684 176.000 0.523 0.000 0.969 273 Q CA 1.739 57.785 55.803 0.405 0.000 0.838 273 Q CB 1.052 29.989 28.738 0.332 0.000 0.900 273 Q HN 0.145 8.765 8.270 0.584 0.000 0.436 274 H N -4.356 114.906 119.070 0.319 0.000 2.771 274 H HA 0.255 nan 4.556 nan 0.000 0.361 274 H C -2.048 173.360 175.328 0.132 0.000 1.108 274 H CA -0.461 55.743 56.048 0.259 0.000 1.201 274 H CB 2.918 32.895 29.762 0.358 0.000 1.681 274 H HN -0.762 7.779 8.280 0.436 0.000 0.534 275 V N 5.895 125.728 119.914 -0.135 0.000 2.524 275 V HA 0.311 nan 4.120 nan 0.000 0.297 275 V C -2.198 173.797 176.094 -0.165 0.000 1.035 275 V CA -0.520 61.720 62.300 -0.101 0.000 0.867 275 V CB 1.873 33.665 31.823 -0.052 0.000 1.004 275 V HN 0.510 8.505 8.190 -0.326 0.000 0.426 276 E N 3.684 123.832 120.200 -0.088 0.000 2.413 276 E HA 0.303 nan 4.350 nan 0.000 0.277 276 E C -1.403 175.194 176.600 -0.006 0.000 0.958 276 E CA -1.767 54.604 56.400 -0.048 0.000 0.779 276 E CB 4.760 34.449 29.700 -0.018 0.000 1.278 276 E HN -0.068 8.267 8.360 -0.042 0.000 0.456 277 E N -1.475 118.734 120.200 0.015 0.000 2.160 277 E HA -0.440 nan 4.350 nan 0.000 0.180 277 E C -1.097 175.509 176.600 0.010 0.000 1.452 277 E CA 0.494 56.904 56.400 0.017 0.000 0.683 277 E CB -1.776 27.915 29.700 -0.015 0.000 1.072 277 E HN 0.489 8.865 8.360 0.026 0.000 0.332 278 c N -0.525 118.082 118.600 0.012 0.000 2.644 278 c HA 0.024 nan 4.570 nan 0.000 0.417 278 c C 0.067 174.185 174.090 0.046 0.000 1.304 278 c CA 0.223 56.564 56.329 0.019 0.000 2.035 278 c CB 0.302 42.812 42.510 -0.000 0.000 2.673 278 c HN 0.141 8.376 8.230 0.009 0.000 0.602 279 S N 3.223 118.976 115.700 0.090 0.000 2.528 279 S HA 0.336 nan 4.470 nan 0.000 0.303 279 S C -1.133 173.556 174.600 0.149 0.000 1.123 279 S CA -0.549 57.741 58.200 0.151 0.000 1.138 279 S CB 0.134 63.480 63.200 0.244 0.000 0.984 279 S HN 0.104 8.471 8.310 0.095 0.000 0.474 280 c N 5.748 124.394 118.600 0.076 0.000 2.335 280 c HA 0.695 nan 4.570 nan 0.000 0.363 280 c C -1.517 172.611 174.090 0.063 0.000 1.198 280 c CA -0.846 55.474 56.329 -0.016 0.000 2.279 280 c CB 1.903 44.368 42.510 -0.074 0.000 2.334 280 c HN 0.556 8.822 8.230 0.061 0.000 0.559 281 Y N -2.434 117.816 120.300 -0.084 0.000 2.592 281 Y HA 0.463 nan 4.550 nan 0.000 0.334 281 Y C -3.222 172.536 175.900 -0.237 0.000 1.136 281 Y CA -3.690 54.295 58.100 -0.192 0.000 1.042 281 Y CB -0.060 38.288 38.460 -0.188 0.000 1.325 281 Y HN 0.322 8.339 8.280 -0.437 0.000 0.457 282 P HA 0.295 nan 4.420 nan 0.000 0.274 282 P C -1.444 175.861 177.300 0.010 0.000 1.231 282 P CA 0.069 63.035 63.100 -0.224 0.000 0.790 282 P CB 1.117 32.441 31.700 -0.626 0.000 0.951 283 R N -1.716 118.808 120.500 0.041 0.000 2.797 283 R HA 0.237 nan 4.340 nan 0.000 0.230 283 R C -0.584 175.788 176.300 0.120 0.000 1.591 283 R CA -0.869 55.294 56.100 0.106 0.000 1.501 283 R CB 1.514 31.863 30.300 0.081 0.000 1.524 283 R HN 0.428 8.705 8.270 0.011 0.000 0.711 284 Y N 4.830 125.161 120.300 0.051 0.000 3.036 284 Y HA -0.285 nan 4.550 nan 0.000 0.354 284 Y C -1.360 174.569 175.900 0.048 0.000 1.267 284 Y CA 0.988 59.128 58.100 0.066 0.000 1.606 284 Y CB 0.108 38.624 38.460 0.094 0.000 1.164 284 Y HN 0.273 8.732 8.280 0.299 0.000 0.587 285 P HA 0.198 nan 4.420 nan 0.000 0.258 285 P C -1.584 175.542 177.300 -0.290 0.000 1.416 285 P CA -0.201 62.444 63.100 -0.758 0.000 0.927 285 P CB 0.852 32.073 31.700 -0.798 0.000 1.444 286 G N -0.399 108.321 108.800 -0.132 0.000 2.938 286 G HA2 0.552 nan 3.960 nan 0.000 0.258 286 G HA3 0.552 nan 3.960 nan 0.000 0.258 286 G C -2.849 172.015 174.900 -0.060 0.000 1.356 286 G CA -1.673 43.381 45.100 -0.075 0.000 1.052 286 G HN -0.144 7.924 8.290 -0.092 0.167 0.550 287 V N -1.817 118.047 119.914 -0.083 0.000 2.841 287 V HA 0.745 nan 4.120 nan 0.000 0.310 287 V C -2.325 173.639 176.094 -0.217 0.000 1.090 287 V CA -0.985 61.225 62.300 -0.149 0.000 0.930 287 V CB 3.936 35.688 31.823 -0.118 0.000 1.014 287 V HN -0.403 7.747 8.190 -0.066 0.000 0.425 288 R N 4.120 124.354 120.500 -0.445 0.000 2.686 288 R HA 0.908 nan 4.340 nan 0.000 0.283 288 R C -2.129 173.843 176.300 -0.546 0.000 0.978 288 R CA -1.537 54.288 56.100 -0.458 0.000 0.897 288 R CB 4.092 34.099 30.300 -0.488 0.000 1.192 288 R HN 0.386 8.293 8.270 -0.605 0.000 0.457 289 c N 4.353 122.814 118.600 -0.232 0.000 2.634 289 c HA 0.797 nan 4.570 nan 0.000 0.313 289 c C -1.335 172.762 174.090 0.012 0.000 1.198 289 c CA -1.812 54.451 56.329 -0.109 0.000 1.605 289 c CB 3.377 45.847 42.510 -0.067 0.000 2.196 289 c HN 0.654 8.803 8.230 -0.136 0.000 0.486 290 I N 1.645 122.269 120.570 0.091 0.000 2.411 290 I HA 0.624 nan 4.170 nan 0.000 0.284 290 I C -0.474 175.680 176.117 0.062 0.000 1.012 290 I CA -1.969 59.395 61.300 0.107 0.000 1.119 290 I CB -0.755 37.358 38.000 0.188 0.000 1.261 290 I HN -0.057 8.227 8.210 0.122 0.000 0.448 291 c N 7.600 126.206 118.600 0.009 0.000 2.621 291 c HA 0.837 nan 4.570 nan 0.000 0.391 291 c C -1.251 172.839 174.090 0.001 0.000 2.609 291 c CA -2.312 54.017 56.329 -0.001 0.000 1.817 291 c CB 3.096 45.592 42.510 -0.023 0.000 2.368 291 c HN 0.496 8.715 8.230 -0.018 0.000 0.422 292 R N 0.495 121.001 120.500 0.010 0.000 2.534 292 R HA 0.322 nan 4.340 nan 0.000 0.301 292 R C -2.501 173.873 176.300 0.122 0.000 0.961 292 R CA -0.957 55.171 56.100 0.047 0.000 0.871 292 R CB 2.839 33.155 30.300 0.025 0.000 1.170 292 R HN 0.572 8.747 8.270 0.002 0.097 0.446 293 D N 6.346 126.858 120.400 0.187 0.000 2.427 293 D HA 0.128 nan 4.640 nan 0.000 0.226 293 D C -1.053 175.437 176.300 0.317 0.000 1.076 293 D CA -1.149 53.048 54.000 0.328 0.000 0.849 293 D CB 1.064 42.070 40.800 0.343 0.000 1.052 293 D HN 0.018 8.480 8.370 0.153 0.000 0.515 294 N N 6.556 125.534 118.700 0.463 0.000 2.398 294 N HA 0.030 nan 4.740 nan 0.000 0.188 294 N C -0.246 175.339 175.510 0.125 0.000 1.122 294 N CA 1.161 54.367 53.050 0.261 0.000 0.866 294 N CB 0.840 39.514 38.487 0.312 0.000 0.970 294 N HN 0.308 9.205 8.380 0.861 0.000 0.462 295 W N 1.202 122.397 121.300 -0.175 0.000 3.531 295 W HA 0.264 nan 4.660 nan 0.000 0.243 295 W C -0.153 176.321 176.519 -0.075 0.000 1.079 295 W CA 1.706 58.917 57.345 -0.223 0.000 2.370 295 W CB 1.403 30.629 29.460 -0.390 0.000 1.270 295 W HN 0.200 8.715 8.180 0.260 -0.178 0.576 296 K N -2.740 117.606 120.400 -0.090 0.000 2.358 296 K HA 0.167 nan 4.320 nan 0.000 0.200 296 K C -1.050 175.461 176.600 -0.148 0.000 1.030 296 K CA -0.723 55.377 56.287 -0.312 0.000 1.097 296 K CB 1.513 33.589 32.500 -0.707 0.000 0.862 296 K HN -0.446 7.999 8.250 0.075 -0.149 0.534 297 G N -3.318 105.481 108.800 -0.002 0.000 2.638 297 G HA2 0.441 nan 3.960 nan 0.000 0.302 297 G HA3 0.441 nan 3.960 nan 0.000 0.302 297 G C -1.225 173.711 174.900 0.060 0.000 1.365 297 G CA -0.622 44.482 45.100 0.007 0.000 0.987 297 G HN -0.752 7.755 8.290 0.081 -0.169 0.495 298 S N -0.556 115.156 115.700 0.020 0.000 2.524 298 S HA 0.088 nan 4.470 nan 0.000 0.215 298 S C -0.296 174.329 174.600 0.042 0.000 0.986 298 S CA 0.107 58.325 58.200 0.030 0.000 0.911 298 S CB 1.057 64.261 63.200 0.006 0.000 0.805 298 S HN -0.037 8.562 8.310 -0.022 -0.302 0.501 299 N N 1.098 119.834 118.700 0.061 0.000 2.508 299 N HA -0.066 nan 4.740 nan 0.000 0.285 299 N C -1.167 174.478 175.510 0.225 0.000 1.144 299 N CA -0.598 52.514 53.050 0.102 0.000 0.978 299 N CB 1.053 39.582 38.487 0.069 0.000 1.180 299 N HN -0.863 7.492 8.380 0.036 0.046 0.484 300 R N -0.958 119.636 120.500 0.157 0.000 2.357 300 R HA 0.282 nan 4.340 nan 0.000 0.296 300 R C -1.999 174.298 176.300 -0.005 0.000 1.052 300 R CA -2.515 53.642 56.100 0.094 0.000 0.988 300 R CB 0.218 30.535 30.300 0.029 0.000 1.025 300 R HN 0.303 8.636 8.270 0.105 0.000 0.469 301 P HA 0.252 nan 4.420 nan 0.000 0.274 301 P C -1.685 175.459 177.300 -0.260 0.000 1.246 301 P CA -0.304 62.415 63.100 -0.635 0.000 0.795 301 P CB 0.453 31.847 31.700 -0.510 0.000 1.006 302 V N -0.452 119.322 119.914 -0.234 0.000 2.709 302 V HA 0.501 nan 4.120 nan 0.000 0.308 302 V C -1.319 174.737 176.094 -0.062 0.000 1.062 302 V CA -0.658 61.605 62.300 -0.062 0.000 0.901 302 V CB 3.811 35.631 31.823 -0.005 0.000 1.003 302 V HN 0.300 8.202 8.190 -0.343 0.082 0.425 303 V N 7.279 127.175 119.914 -0.030 0.000 2.407 303 V HA 0.469 nan 4.120 nan 0.000 0.291 303 V C -1.599 174.482 176.094 -0.020 0.000 1.018 303 V CA -1.411 60.872 62.300 -0.029 0.000 0.842 303 V CB 2.172 33.973 31.823 -0.035 0.000 0.996 303 V HN 0.912 8.980 8.190 -0.017 0.111 0.426 304 D N 8.187 128.589 120.400 0.003 0.000 2.280 304 D HA 0.600 nan 4.640 nan 0.000 0.236 304 D C -1.342 174.965 176.300 0.013 0.000 1.082 304 D CA -0.657 53.347 54.000 0.007 0.000 0.834 304 D CB 1.940 42.763 40.800 0.039 0.000 1.100 304 D HN 0.447 8.822 8.370 0.009 0.000 0.486 305 I N 3.390 123.962 120.570 0.003 0.000 2.378 305 I HA 0.196 nan 4.170 nan 0.000 0.291 305 I C -1.744 174.408 176.117 0.058 0.000 0.992 305 I CA -1.269 60.065 61.300 0.057 0.000 1.154 305 I CB 2.255 40.271 38.000 0.028 0.000 1.315 305 I HN 0.389 8.581 8.210 -0.030 0.000 0.448 306 N N 7.600 126.342 118.700 0.070 0.000 2.500 306 N HA 0.220 nan 4.740 nan 0.000 0.236 306 N C 0.487 175.969 175.510 -0.048 0.000 1.022 306 N CA -1.602 51.436 53.050 -0.020 0.000 0.935 306 N CB 0.743 39.190 38.487 -0.067 0.000 1.147 306 N HN 0.186 8.629 8.380 0.105 0.000 0.512 307 M N 3.952 123.539 119.600 -0.022 0.000 2.530 307 M HA -0.343 nan 4.480 nan 0.000 0.261 307 M C 0.774 176.890 176.300 -0.306 0.000 1.067 307 M CA 2.143 57.434 55.300 -0.015 0.000 1.071 307 M CB -0.992 31.613 32.600 0.009 0.000 1.405 307 M HN 0.470 8.739 8.290 -0.035 0.000 0.478 308 E N -3.167 116.827 120.200 -0.343 0.000 2.075 308 E HA -0.155 nan 4.350 nan 0.000 0.190 308 E C 0.794 177.022 176.600 -0.620 0.000 0.969 308 E CA 1.427 57.583 56.400 -0.407 0.000 0.815 308 E CB 0.721 30.269 29.700 -0.254 0.000 0.776 308 E HN -0.032 8.356 8.360 -0.255 -0.182 0.457 309 D N -5.307 114.767 120.400 -0.543 0.000 2.433 309 D HA 0.022 nan 4.640 nan 0.000 0.211 309 D C 0.442 176.411 176.300 -0.553 0.000 1.114 309 D CA -0.673 53.021 54.000 -0.510 0.000 0.837 309 D CB 0.758 41.415 40.800 -0.239 0.000 0.984 309 D HN -0.241 8.265 8.370 -0.394 -0.373 0.505 310 Y N -5.189 114.835 120.300 -0.459 0.000 4.841 310 Y HA -0.473 nan 4.550 nan 0.000 0.242 310 Y C -0.807 174.938 175.900 -0.258 0.000 1.002 310 Y CA 1.038 58.730 58.100 -0.679 0.000 2.011 310 Y CB -2.962 34.717 38.460 -1.301 0.000 1.554 310 Y HN 0.223 8.051 8.280 -0.754 0.000 0.618 311 S N -0.520 115.148 115.700 -0.053 0.000 2.580 311 S HA 0.124 nan 4.470 nan 0.000 0.274 311 S C -1.105 173.528 174.600 0.056 0.000 1.329 311 S CA 0.206 58.412 58.200 0.009 0.000 1.036 311 S CB 0.987 64.176 63.200 -0.019 0.000 0.919 311 S HN 0.095 8.597 8.310 -0.128 -0.269 0.515 312 I N 0.819 121.427 120.570 0.064 0.000 2.846 312 I HA 0.673 nan 4.170 nan 0.000 0.307 312 I C -0.765 175.376 176.117 0.039 0.000 1.053 312 I CA -2.059 59.280 61.300 0.065 0.000 1.050 312 I CB 2.583 40.629 38.000 0.077 0.000 1.239 312 I HN -0.003 8.240 8.210 0.056 0.000 0.439 313 D N 1.618 122.036 120.400 0.031 0.000 2.736 313 D HA 0.278 nan 4.640 nan 0.000 0.223 313 D C -2.326 173.981 176.300 0.013 0.000 1.231 313 D CA -0.998 53.015 54.000 0.022 0.000 0.818 313 D CB 3.181 43.994 40.800 0.022 0.000 1.587 313 D HN -0.098 8.291 8.370 0.031 0.000 0.463 314 S N 0.767 116.470 115.700 0.005 0.000 2.556 314 S HA 0.814 nan 4.470 nan 0.000 0.271 314 S C -1.314 173.273 174.600 -0.022 0.000 1.135 314 S CA -0.994 57.192 58.200 -0.022 0.000 0.858 314 S CB 3.180 66.360 63.200 -0.034 0.000 1.114 314 S HN -0.013 8.304 8.310 0.013 0.000 0.468 315 S N -0.166 115.494 115.700 -0.068 0.000 2.873 315 S HA 0.782 nan 4.470 nan 0.000 0.303 315 S C -2.176 172.357 174.600 -0.112 0.000 1.222 315 S CA -0.182 58.012 58.200 -0.010 0.000 0.923 315 S CB 2.137 65.308 63.200 -0.050 0.000 1.286 315 S HN 0.482 8.721 8.310 -0.118 0.000 0.571 316 Y N -1.516 118.734 120.300 -0.083 0.000 2.602 316 Y HA 0.425 nan 4.550 nan 0.000 0.342 316 Y C -0.322 175.503 175.900 -0.126 0.000 1.029 316 Y CA -0.186 57.873 58.100 -0.069 0.000 1.080 316 Y CB 3.553 41.980 38.460 -0.056 0.000 1.284 316 Y HN -0.166 8.205 8.280 0.151 0.000 0.485 317 V N -3.490 116.462 119.914 0.063 0.000 2.637 317 V HA 0.203 nan 4.120 nan 0.000 0.296 317 V C 0.457 176.525 176.094 -0.044 0.000 1.046 317 V CA -1.197 61.083 62.300 -0.033 0.000 1.066 317 V CB -0.071 31.790 31.823 0.063 0.000 0.968 317 V HN 0.729 8.994 8.190 0.124 0.000 0.483 318 c N 5.045 123.564 118.600 -0.135 0.000 2.413 318 c HA -0.283 nan 4.570 nan 0.000 0.276 318 c C 1.098 175.160 174.090 -0.047 0.000 1.248 318 c CA 2.811 59.079 56.329 -0.103 0.000 1.742 318 c CB -1.119 41.304 42.510 -0.144 0.000 2.017 318 c HN 1.070 9.148 8.230 -0.254 0.000 0.481 319 S N -0.095 115.595 115.700 -0.016 0.000 2.715 319 S HA -0.445 nan 4.470 nan 0.000 0.318 319 S C 0.939 175.531 174.600 -0.014 0.000 1.242 319 S CA 1.357 59.555 58.200 -0.004 0.000 1.044 319 S CB 0.437 63.652 63.200 0.025 0.000 0.760 319 S HN -0.603 7.706 8.310 -0.001 0.000 0.501 320 G N 3.783 112.568 108.800 -0.025 0.000 2.880 320 G HA2 0.059 nan 3.960 nan 0.000 0.209 320 G HA3 0.059 nan 3.960 nan 0.000 0.209 320 G C 0.324 175.208 174.900 -0.026 0.000 1.157 320 G CA 0.181 45.261 45.100 -0.033 0.000 0.779 320 G HN 0.464 8.737 8.290 -0.028 0.000 0.539 321 L N 0.291 121.508 121.223 -0.010 0.000 2.044 321 L HA -0.170 nan 4.340 nan 0.000 0.205 321 L C -0.243 176.645 176.870 0.030 0.000 1.075 321 L CA 2.083 56.931 54.840 0.013 0.000 0.747 321 L CB 0.621 42.716 42.059 0.061 0.000 0.903 321 L HN -0.636 7.536 8.230 -0.004 0.056 0.435 322 V N -3.965 115.964 119.914 0.024 0.000 3.456 322 V HA -0.224 nan 4.120 nan 0.000 0.495 322 V C 0.218 176.300 176.094 -0.020 0.000 0.682 322 V CA 0.362 62.664 62.300 0.002 0.000 2.042 322 V CB 0.359 32.180 31.823 -0.003 0.000 2.479 322 V HN -0.575 7.632 8.190 0.029 0.000 0.506 323 G N 4.331 113.099 108.800 -0.053 0.000 3.502 323 G HA2 0.054 nan 3.960 nan 0.000 0.267 323 G HA3 0.054 nan 3.960 nan 0.000 0.267 323 G C -1.643 173.208 174.900 -0.081 0.000 1.090 323 G CA -0.634 44.399 45.100 -0.113 0.000 0.795 323 G HN 0.280 8.550 8.290 -0.033 0.000 0.535 324 D N 0.339 120.722 120.400 -0.028 0.000 2.387 324 D HA 0.240 nan 4.640 nan 0.000 0.255 324 D C -1.579 174.725 176.300 0.007 0.000 1.081 324 D CA -1.145 52.854 54.000 -0.002 0.000 0.994 324 D CB 2.808 43.626 40.800 0.030 0.000 1.127 324 D HN -0.771 7.590 8.370 -0.014 0.000 0.513 325 T N 2.135 116.706 114.554 0.029 0.000 2.928 325 T HA 0.401 nan 4.350 nan 0.000 0.296 325 T C -2.234 172.499 174.700 0.054 0.000 1.000 325 T CA -3.045 59.079 62.100 0.040 0.000 0.989 325 T CB 2.476 71.378 68.868 0.055 0.000 1.005 325 T HN 0.037 8.299 8.240 0.037 0.000 0.442 326 P HA 0.405 nan 4.420 nan 0.000 0.274 326 P C -1.807 175.506 177.300 0.022 0.000 1.237 326 P CA -0.443 62.676 63.100 0.033 0.000 0.793 326 P CB 0.861 32.580 31.700 0.031 0.000 0.977 327 R N -2.437 118.070 120.500 0.013 0.000 2.870 327 R HA 0.368 nan 4.340 nan 0.000 0.262 327 R C -0.479 175.819 176.300 -0.003 0.000 1.112 327 R CA -1.651 54.451 56.100 0.003 0.000 0.976 327 R CB 1.743 32.042 30.300 -0.000 0.000 1.261 327 R HN -0.004 8.274 8.270 0.013 0.000 0.453 328 N N -0.469 118.225 118.700 -0.011 0.000 2.124 328 N HA -0.172 nan 4.740 nan 0.000 0.189 328 N C -1.363 174.139 175.510 -0.015 0.000 1.050 328 N CA 1.777 54.817 53.050 -0.015 0.000 0.848 328 N CB 0.761 39.234 38.487 -0.024 0.000 1.027 328 N HN 0.388 8.760 8.380 -0.013 0.000 0.435 329 D N -7.779 112.611 120.400 -0.017 0.000 2.369 329 D HA -0.054 nan 4.640 nan 0.000 0.164 329 D C -1.480 174.804 176.300 -0.027 0.000 0.891 329 D CA 0.063 54.052 54.000 -0.019 0.000 1.027 329 D CB 1.817 42.606 40.800 -0.020 0.000 4.453 329 D HN -0.737 7.621 8.370 -0.019 0.000 0.493 330 D N 4.032 124.413 120.400 -0.032 0.000 2.203 330 D HA -0.341 nan 4.640 nan 0.000 0.199 330 D C 1.196 177.467 176.300 -0.048 0.000 0.997 330 D CA 2.704 56.677 54.000 -0.045 0.000 0.863 330 D CB 0.107 40.867 40.800 -0.066 0.000 0.928 330 D HN 0.289 8.642 8.370 -0.028 0.000 0.458 331 R N -1.175 119.299 120.500 -0.042 0.000 2.061 331 R HA -0.235 nan 4.340 nan 0.000 0.230 331 R C 1.255 177.533 176.300 -0.038 0.000 1.140 331 R CA 3.021 59.097 56.100 -0.040 0.000 0.940 331 R CB 0.427 30.707 30.300 -0.034 0.000 0.839 331 R HN -0.368 8.130 8.270 -0.038 -0.250 0.429 332 S N -2.354 113.326 115.700 -0.034 0.000 2.577 332 S HA 0.080 nan 4.470 nan 0.000 0.239 332 S C -1.544 173.034 174.600 -0.036 0.000 1.236 332 S CA -1.189 56.990 58.200 -0.034 0.000 1.233 332 S CB -0.442 62.740 63.200 -0.030 0.000 0.908 332 S HN -0.543 7.749 8.310 -0.031 0.000 0.493 333 S N 0.680 116.357 115.700 -0.038 0.000 2.542 333 S HA 0.212 nan 4.470 nan 0.000 0.293 333 S C -2.106 172.467 174.600 -0.045 0.000 1.089 333 S CA -1.295 56.882 58.200 -0.039 0.000 0.961 333 S CB 2.748 65.929 63.200 -0.032 0.000 1.062 333 S HN -0.751 7.478 8.310 -0.040 0.057 0.483 334 N N 3.622 122.291 118.700 -0.052 0.000 2.774 334 N HA 0.327 nan 4.740 nan 0.000 0.264 334 N C -2.417 173.052 175.510 -0.067 0.000 1.415 334 N CA 0.038 53.053 53.050 -0.059 0.000 0.815 334 N CB 4.282 42.730 38.487 -0.066 0.000 1.514 334 N HN -0.040 8.611 8.380 -0.054 -0.303 0.523 335 S N -1.442 114.215 115.700 -0.071 0.000 2.570 335 S HA 0.201 nan 4.470 nan 0.000 0.286 335 S C -1.604 172.947 174.600 -0.082 0.000 1.143 335 S CA -0.684 57.467 58.200 -0.082 0.000 0.921 335 S CB 1.662 64.833 63.200 -0.049 0.000 1.108 335 S HN 0.188 8.458 8.310 -0.067 0.000 0.456 336 N N 4.673 123.313 118.700 -0.100 0.000 2.230 336 N HA 0.156 nan 4.740 nan 0.000 0.202 336 N C 0.274 175.736 175.510 -0.081 0.000 1.119 336 N CA -0.955 52.043 53.050 -0.087 0.000 0.851 336 N CB -0.029 38.404 38.487 -0.091 0.000 0.990 336 N HN 0.645 8.947 8.380 -0.131 0.000 0.497 337 c N -4.059 114.497 118.600 -0.072 0.000 5.716 337 c HA -0.385 nan 4.570 nan 0.000 0.276 337 c C 0.953 175.040 174.090 -0.005 0.000 1.974 337 c CA 2.057 58.348 56.329 -0.064 0.000 1.737 337 c CB -2.305 40.134 42.510 -0.118 0.000 2.710 337 c HN -0.209 7.907 8.230 -0.069 0.072 0.494 338 R N -1.212 119.272 120.500 -0.028 0.000 2.287 338 R HA 0.156 nan 4.340 nan 0.000 0.197 338 R C -0.811 175.473 176.300 -0.027 0.000 0.900 338 R CA 1.320 57.425 56.100 0.008 0.000 1.052 338 R CB 1.763 32.047 30.300 -0.026 0.000 1.117 338 R HN -0.106 8.271 8.270 -0.072 -0.150 0.568 339 D N -1.920 118.324 120.400 -0.261 0.000 2.552 339 D HA 0.522 nan 4.640 nan 0.000 0.239 339 D C -2.631 173.139 176.300 -0.885 0.000 1.139 339 D CA -2.080 51.643 54.000 -0.463 0.000 0.914 339 D CB 1.910 42.558 40.800 -0.254 0.000 1.461 339 D HN -0.046 8.521 8.370 -0.255 -0.350 0.462 340 P HA -0.072 nan 4.420 nan 0.000 0.264 340 P C -0.992 176.055 177.300 -0.421 0.000 1.193 340 P CA 0.229 62.899 63.100 -0.716 0.000 0.763 340 P CB 0.282 31.754 31.700 -0.381 0.000 0.810 341 N N 3.767 122.277 118.700 -0.316 0.000 2.550 341 N HA -0.301 nan 4.740 nan 0.000 0.186 341 N C 0.739 176.150 175.510 -0.165 0.000 1.110 341 N CA 0.295 53.222 53.050 -0.206 0.000 0.912 341 N CB -0.063 38.337 38.487 -0.146 0.000 0.968 341 N HN 0.074 8.602 8.380 -0.306 -0.331 0.448 342 N N -2.398 116.195 118.700 -0.178 0.000 2.732 342 N HA -0.335 nan 4.740 nan 0.000 0.250 342 N C -1.491 173.957 175.510 -0.103 0.000 1.097 342 N CA 2.119 55.077 53.050 -0.154 0.000 0.812 342 N CB -0.699 37.693 38.487 -0.159 0.000 1.148 342 N HN -0.044 8.154 8.380 -0.205 0.059 0.572 343 E N 0.089 120.238 120.200 -0.084 0.000 2.081 343 E HA 0.138 nan 4.350 nan 0.000 0.281 343 E C -0.427 176.150 176.600 -0.037 0.000 0.986 343 E CA -1.125 55.241 56.400 -0.057 0.000 0.796 343 E CB 0.268 29.936 29.700 -0.053 0.000 1.085 343 E HN -0.114 8.525 8.360 -0.093 -0.335 0.398 344 R N 3.638 124.122 120.500 -0.027 0.000 3.387 344 R HA -0.331 nan 4.340 nan 0.000 0.254 344 R C 0.036 176.336 176.300 0.000 0.000 1.006 344 R CA 0.681 56.775 56.100 -0.009 0.000 0.677 344 R CB -2.529 27.769 30.300 -0.002 0.000 1.063 344 R HN 0.848 9.099 8.270 -0.032 0.000 0.453 345 G N -1.994 106.798 108.800 -0.014 0.000 2.432 345 G HA2 -0.239 nan 3.960 nan 0.000 0.219 345 G HA3 -0.239 nan 3.960 nan 0.000 0.219 345 G C -0.218 174.710 174.900 0.047 0.000 1.135 345 G CA 0.409 45.510 45.100 0.000 0.000 0.767 345 G HN 0.273 8.536 8.290 -0.034 0.007 0.550 346 T N 1.736 116.321 114.554 0.053 0.000 2.928 346 T HA -0.074 nan 4.350 nan 0.000 0.305 346 T C -1.075 173.673 174.700 0.081 0.000 1.035 346 T CA 0.969 63.120 62.100 0.085 0.000 1.145 346 T CB -0.159 68.757 68.868 0.081 0.000 0.963 346 T HN -0.356 7.904 8.240 0.033 0.000 0.545 347 Q N 2.483 122.341 119.800 0.097 0.000 0.373 347 Q HA -0.351 nan 4.340 nan 0.000 0.270 347 Q C -1.569 174.494 176.000 0.105 0.000 1.089 347 Q CA 0.216 56.079 55.803 0.099 0.000 0.291 347 Q CB 0.364 29.153 28.738 0.084 0.000 5.548 347 Q HN 0.401 8.644 8.270 0.107 0.091 0.300 348 G N -5.060 103.804 108.800 0.106 0.000 2.392 348 G HA2 0.305 nan 3.960 nan 0.000 0.260 348 G HA3 0.305 nan 3.960 nan 0.000 0.260 348 G C -3.548 171.407 174.900 0.093 0.000 1.226 348 G CA -0.152 45.003 45.100 0.091 0.000 0.913 348 G HN -0.194 8.164 8.290 0.114 0.000 0.483 349 V N -1.417 118.517 119.914 0.032 0.000 3.036 349 V HA 0.144 nan 4.120 nan 0.000 0.280 349 V C -2.468 173.492 176.094 -0.224 0.000 1.497 349 V CA -0.912 61.362 62.300 -0.043 0.000 0.982 349 V CB 3.799 35.673 31.823 0.086 0.000 1.171 349 V HN -0.320 7.990 8.190 0.015 -0.112 0.444 350 K N 6.432 126.436 120.400 -0.660 0.000 2.436 350 K HA 0.116 nan 4.320 nan 0.000 0.275 350 K C -0.978 175.520 176.600 -0.170 0.000 0.999 350 K CA 1.118 57.124 56.287 -0.468 0.000 0.980 350 K CB 0.855 32.913 32.500 -0.736 0.000 0.919 350 K HN 0.368 7.790 8.250 -1.381 0.000 0.484 351 G N 2.899 111.682 108.800 -0.028 0.000 2.606 351 G HA2 0.470 nan 3.960 nan 0.000 0.300 351 G HA3 0.470 nan 3.960 nan 0.000 0.300 351 G C -2.614 172.370 174.900 0.140 0.000 1.360 351 G CA -0.202 44.935 45.100 0.061 0.000 0.783 351 G HN 0.016 8.290 8.290 -0.026 0.000 0.484 352 W N -3.488 117.802 121.300 -0.016 0.000 3.274 352 W HA 0.436 nan 4.660 nan 0.000 0.353 352 W C -2.739 173.804 176.519 0.040 0.000 1.147 352 W CA -2.285 55.077 57.345 0.029 0.000 1.054 352 W CB 1.441 30.908 29.460 0.012 0.000 1.510 352 W HN 0.018 7.954 8.180 -0.406 0.000 0.602 353 A N -1.704 121.232 122.820 0.193 0.000 2.517 353 A HA 0.412 nan 4.320 nan 0.000 0.296 353 A C -2.788 175.108 177.584 0.520 0.000 0.983 353 A CA 0.292 52.347 52.037 0.030 0.000 0.634 353 A CB 1.839 20.811 19.000 -0.046 0.000 1.341 353 A HN -0.198 8.379 8.150 0.712 0.000 0.438 354 F N -4.687 115.386 119.950 0.206 0.000 2.688 354 F HA 0.527 nan 4.527 nan 0.000 0.308 354 F C -2.402 173.393 175.800 -0.007 0.000 1.117 354 F CA -1.210 56.828 58.000 0.064 0.000 0.976 354 F CB 2.407 41.197 39.000 -0.349 0.000 1.291 354 F HN 0.480 8.776 8.300 -0.007 0.000 0.439 355 D N 0.769 121.097 120.400 -0.119 0.000 2.313 355 D HA 0.196 nan 4.640 nan 0.000 0.247 355 D C -0.952 175.265 176.300 -0.138 0.000 1.094 355 D CA -0.790 52.937 54.000 -0.455 0.000 0.925 355 D CB 1.059 41.039 40.800 -1.367 0.000 1.188 355 D HN 0.024 8.411 8.370 0.027 0.000 0.430 356 N N 1.942 120.561 118.700 -0.136 0.000 2.594 356 N HA 0.127 nan 4.740 nan 0.000 0.280 356 N C -0.153 175.347 175.510 -0.017 0.000 1.156 356 N CA 0.074 53.136 53.050 0.019 0.000 0.831 356 N CB 2.431 41.010 38.487 0.154 0.000 1.379 356 N HN 0.322 8.579 8.380 -0.206 0.000 0.536 357 G N 7.033 115.827 108.800 -0.011 0.000 2.672 357 G HA2 -0.517 nan 3.960 nan 0.000 0.332 357 G HA3 -0.517 nan 3.960 nan 0.000 0.332 357 G C -1.160 173.782 174.900 0.070 0.000 1.213 357 G CA 1.966 47.084 45.100 0.031 0.000 0.980 357 G HN 0.692 8.974 8.290 -0.012 0.000 0.548 358 N N 4.478 123.237 118.700 0.098 0.000 2.254 358 N HA 0.214 nan 4.740 nan 0.000 0.190 358 N C -1.089 174.515 175.510 0.156 0.000 1.107 358 N CA 0.458 53.614 53.050 0.176 0.000 0.869 358 N CB 0.975 39.533 38.487 0.118 0.000 0.983 358 N HN -0.059 8.359 8.380 0.063 0.000 0.487 359 D N -0.389 120.041 120.400 0.050 0.000 2.388 359 D HA 0.529 nan 4.640 nan 0.000 0.254 359 D C -2.123 174.145 176.300 -0.053 0.000 1.111 359 D CA 0.234 54.215 54.000 -0.033 0.000 0.993 359 D CB 2.095 42.810 40.800 -0.142 0.000 1.118 359 D HN 0.088 8.425 8.370 0.026 0.049 0.502 360 L N -1.085 120.054 121.223 -0.140 0.000 2.431 360 L HA 0.663 nan 4.340 nan 0.000 0.266 360 L C -2.460 174.200 176.870 -0.349 0.000 0.978 360 L CA -0.345 54.410 54.840 -0.142 0.000 0.822 360 L CB 4.172 46.265 42.059 0.056 0.000 1.310 360 L HN -0.278 7.830 8.230 -0.203 0.000 0.409 361 W N 5.299 126.302 121.300 -0.495 0.000 2.469 361 W HA 0.702 nan 4.660 nan 0.000 0.320 361 W C -1.275 174.908 176.519 -0.561 0.000 1.086 361 W CA -0.854 56.178 57.345 -0.523 0.000 1.211 361 W CB 2.568 31.459 29.460 -0.949 0.000 1.298 361 W HN 0.712 8.657 8.180 -0.391 0.000 0.525 362 M N -1.883 117.494 119.600 -0.371 0.000 2.833 362 M HA 0.746 nan 4.480 nan 0.000 0.270 362 M C -2.525 173.071 176.300 -1.173 0.000 1.209 362 M CA -0.470 54.239 55.300 -0.985 0.000 0.826 362 M CB 4.219 36.406 32.600 -0.688 0.000 1.657 362 M HN 0.196 8.378 8.290 -0.179 0.000 0.492 363 G N -2.907 105.049 108.800 -1.406 0.000 2.694 363 G HA2 0.906 nan 3.960 nan 0.000 0.290 363 G HA3 0.906 nan 3.960 nan 0.000 0.290 363 G C -2.186 172.130 174.900 -0.974 0.000 1.386 363 G CA -0.579 43.875 45.100 -1.077 0.000 0.872 363 G HN -0.171 7.128 8.290 -1.653 0.000 0.475 364 R N -3.972 115.855 120.500 -1.122 0.000 2.829 364 R HA 0.412 nan 4.340 nan 0.000 0.283 364 R C -0.978 174.924 176.300 -0.663 0.000 1.013 364 R CA -0.810 54.886 56.100 -0.672 0.000 0.848 364 R CB 1.939 32.007 30.300 -0.387 0.000 1.291 364 R HN 0.279 7.621 8.270 -1.548 0.000 0.496 365 T N -4.574 109.848 114.554 -0.220 0.000 2.903 365 T HA 0.177 nan 4.350 nan 0.000 0.314 365 T C 1.133 175.792 174.700 -0.068 0.000 1.078 365 T CA -0.090 61.984 62.100 -0.043 0.000 1.114 365 T CB 0.300 69.214 68.868 0.077 0.000 0.987 365 T HN 0.466 8.640 8.240 -0.110 0.000 0.548 366 I N 1.559 122.129 120.570 -0.000 0.000 2.406 366 I HA -0.193 nan 4.170 nan 0.000 0.249 366 I C 0.686 176.818 176.117 0.024 0.000 1.122 366 I CA 2.680 63.989 61.300 0.015 0.000 1.431 366 I CB 0.251 38.281 38.000 0.049 0.000 1.087 366 I HN -0.009 8.099 8.210 0.051 0.133 0.424 367 S N -0.447 115.275 115.700 0.037 0.000 2.603 367 S HA 0.053 nan 4.470 nan 0.000 0.268 367 S C -0.335 174.281 174.600 0.026 0.000 1.317 367 S CA -0.600 57.620 58.200 0.034 0.000 1.012 367 S CB 0.898 64.124 63.200 0.044 0.000 0.926 367 S HN -0.585 7.757 8.310 0.052 0.000 0.539 368 K N 1.593 122.005 120.400 0.021 0.000 2.367 368 K HA 0.254 nan 4.320 nan 0.000 0.195 368 K C 1.158 177.772 176.600 0.023 0.000 1.060 368 K CA 1.498 57.795 56.287 0.017 0.000 1.022 368 K CB 0.841 33.347 32.500 0.009 0.000 0.894 368 K HN 0.588 8.850 8.250 0.021 0.000 0.540 369 D N 0.063 120.479 120.400 0.026 0.000 2.431 369 D HA 0.004 nan 4.640 nan 0.000 0.235 369 D C 0.268 176.592 176.300 0.040 0.000 0.980 369 D CA 2.795 56.812 54.000 0.029 0.000 0.912 369 D CB 1.204 42.017 40.800 0.022 0.000 1.056 369 D HN -0.533 7.852 8.370 0.026 0.000 0.494 370 L N -2.704 118.547 121.223 0.045 0.000 2.298 370 L HA 0.252 nan 4.340 nan 0.000 0.268 370 L C -0.000 176.917 176.870 0.079 0.000 1.010 370 L CA -1.689 53.186 54.840 0.058 0.000 0.812 370 L CB 1.967 44.055 42.059 0.050 0.000 1.331 370 L HN -0.591 7.664 8.230 0.042 0.000 0.450 371 R N 2.464 123.023 120.500 0.098 0.000 4.680 371 R HA 0.047 nan 4.340 nan 0.000 0.222 371 R C -1.174 175.208 176.300 0.137 0.000 1.803 371 R CA -0.146 56.034 56.100 0.134 0.000 1.560 371 R CB -1.235 29.161 30.300 0.159 0.000 1.412 371 R HN 0.587 8.911 8.270 0.090 0.000 0.815 372 S N -0.378 115.393 115.700 0.118 0.000 2.532 372 S HA 0.660 nan 4.470 nan 0.000 0.301 372 S C -0.555 174.125 174.600 0.133 0.000 1.083 372 S CA -0.961 57.310 58.200 0.117 0.000 1.025 372 S CB 2.638 65.888 63.200 0.084 0.000 1.056 372 S HN -0.433 7.869 8.310 0.101 0.069 0.494 373 G N 3.255 112.148 108.800 0.155 0.000 2.901 373 G HA2 -0.383 nan 3.960 nan 0.000 0.654 373 G HA3 -0.383 nan 3.960 nan 0.000 0.654 373 G C -3.216 171.832 174.900 0.246 0.000 1.550 373 G CA 0.203 45.407 45.100 0.173 0.000 0.978 373 G HN 0.786 9.168 8.290 0.152 0.000 0.566 374 Y N 0.943 121.307 120.300 0.106 0.000 2.436 374 Y HA 0.447 nan 4.550 nan 0.000 0.327 374 Y C -2.753 173.195 175.900 0.079 0.000 1.138 374 Y CA -0.744 57.410 58.100 0.090 0.000 1.042 374 Y CB 3.862 42.397 38.460 0.126 0.000 1.302 374 Y HN 0.377 8.715 8.280 0.249 0.091 0.439 375 E N 4.211 124.207 120.200 -0.339 0.000 2.433 375 E HA 0.856 nan 4.350 nan 0.000 0.273 375 E C -2.600 173.790 176.600 -0.350 0.000 0.950 375 E CA -2.329 53.990 56.400 -0.136 0.000 0.796 375 E CB 4.938 34.638 29.700 0.000 0.000 1.330 375 E HN 0.593 8.484 8.360 -0.781 0.000 0.455 376 T N -6.114 108.363 114.554 -0.128 0.000 2.883 376 T HA 0.974 nan 4.350 nan 0.000 0.301 376 T C -1.946 172.753 174.700 -0.002 0.000 1.158 376 T CA -1.797 60.158 62.100 -0.241 0.000 1.007 376 T CB 3.094 72.009 68.868 0.079 0.000 1.186 376 T HN 0.551 8.833 8.240 0.070 0.000 0.499 377 F N -4.128 115.922 119.950 0.166 0.000 2.978 377 F HA 0.804 nan 4.527 nan 0.000 0.324 377 F C -3.049 172.665 175.800 -0.143 0.000 1.157 377 F CA -1.225 56.830 58.000 0.090 0.000 0.879 377 F CB 1.311 40.298 39.000 -0.021 0.000 1.364 377 F HN 0.493 8.515 8.300 -0.464 0.000 0.465 378 K N -1.096 119.278 120.400 -0.044 0.000 2.270 378 K HA 0.641 nan 4.320 nan 0.000 0.255 378 K C -1.797 174.693 176.600 -0.183 0.000 0.936 378 K CA -2.068 53.887 56.287 -0.553 0.000 0.809 378 K CB 3.521 35.322 32.500 -1.166 0.000 1.131 378 K HN 0.551 8.837 8.250 0.061 0.000 0.427 379 V N 7.167 126.986 119.914 -0.158 0.000 2.311 379 V HA 0.441 nan 4.120 nan 0.000 0.275 379 V C -0.100 175.918 176.094 -0.127 0.000 1.022 379 V CA -1.227 61.019 62.300 -0.089 0.000 0.830 379 V CB 0.421 32.245 31.823 0.002 0.000 1.012 379 V HN 0.541 8.585 8.190 -0.244 0.000 0.452 380 I N 7.970 128.465 120.570 -0.125 0.000 2.741 380 I HA -0.320 nan 4.170 nan 0.000 0.288 380 I C 1.175 177.261 176.117 -0.051 0.000 1.192 380 I CA -0.250 60.992 61.300 -0.096 0.000 1.426 380 I CB -1.607 36.343 38.000 -0.083 0.000 1.367 380 I HN 0.932 8.976 8.210 -0.134 0.086 0.563 381 G N 6.226 115.014 108.800 -0.021 0.000 2.258 381 G HA2 -0.370 nan 3.960 nan 0.000 0.274 381 G HA3 -0.370 nan 3.960 nan 0.000 0.274 381 G C 0.341 175.260 174.900 0.032 0.000 1.021 381 G CA 0.897 46.007 45.100 0.018 0.000 0.798 381 G HN 0.677 9.309 8.290 -0.029 -0.359 0.507 382 G N -2.112 106.713 108.800 0.041 0.000 2.985 382 G HA2 -0.023 nan 3.960 nan 0.000 0.209 382 G HA3 -0.023 nan 3.960 nan 0.000 0.209 382 G C -0.721 174.263 174.900 0.141 0.000 1.165 382 G CA -0.369 44.764 45.100 0.054 0.000 0.776 382 G HN -0.119 8.156 8.290 0.016 0.024 0.541 383 W N 0.417 121.701 121.300 -0.027 0.000 2.798 383 W HA 0.266 nan 4.660 nan 0.000 0.260 383 W C -0.291 176.233 176.519 0.009 0.000 1.165 383 W CA 1.425 58.770 57.345 0.000 0.000 1.501 383 W CB 1.853 31.322 29.460 0.014 0.000 1.023 383 W HN 0.014 8.271 8.180 0.253 0.074 0.615 384 S N -2.045 113.705 115.700 0.084 0.000 2.492 384 S HA 0.047 nan 4.470 nan 0.000 0.218 384 S C 0.191 174.762 174.600 -0.047 0.000 1.016 384 S CA 2.149 60.339 58.200 -0.016 0.000 0.916 384 S CB 1.444 64.703 63.200 0.100 0.000 0.791 384 S HN -0.751 7.684 8.310 0.207 0.000 0.513 385 T N 1.375 115.913 114.554 -0.027 0.000 2.770 385 T HA 0.547 nan 4.350 nan 0.000 0.283 385 T C -2.710 171.960 174.700 -0.051 0.000 0.988 385 T CA -2.860 59.218 62.100 -0.037 0.000 0.957 385 T CB 1.457 70.313 68.868 -0.021 0.000 0.930 385 T HN -0.391 7.848 8.240 -0.003 0.000 0.443 386 P HA -0.281 nan 4.420 nan 0.000 0.264 386 P C -0.119 177.150 177.300 -0.052 0.000 1.173 386 P CA 0.513 63.575 63.100 -0.063 0.000 0.761 386 P CB 0.076 31.739 31.700 -0.061 0.000 0.794 387 N N 0.330 118.998 118.700 -0.052 0.000 2.732 387 N HA -0.464 nan 4.740 nan 0.000 0.250 387 N C -0.074 175.410 175.510 -0.044 0.000 1.097 387 N CA 0.684 53.706 53.050 -0.047 0.000 0.812 387 N CB -0.023 38.434 38.487 -0.049 0.000 1.148 387 N HN 0.216 8.562 8.380 -0.056 0.000 0.572 388 S N -1.551 114.124 115.700 -0.040 0.000 2.563 388 S HA -0.072 nan 4.470 nan 0.000 0.284 388 S C -0.178 174.391 174.600 -0.051 0.000 1.331 388 S CA 1.434 59.608 58.200 -0.042 0.000 1.047 388 S CB 0.909 64.089 63.200 -0.033 0.000 0.859 388 S HN -0.421 7.824 8.310 -0.038 0.042 0.514 389 K N 1.574 121.933 120.400 -0.067 0.000 2.589 389 K HA 0.100 nan 4.320 nan 0.000 0.198 389 K C -0.374 176.152 176.600 -0.123 0.000 1.114 389 K CA -0.497 55.734 56.287 -0.094 0.000 1.070 389 K CB 1.207 33.653 32.500 -0.090 0.000 0.860 389 K HN 0.457 8.669 8.250 -0.064 0.000 0.536 390 S N 3.920 119.557 115.700 -0.105 0.000 2.700 390 S HA -0.090 nan 4.470 nan 0.000 0.321 390 S C -1.344 173.167 174.600 -0.149 0.000 1.161 390 S CA 0.415 58.548 58.200 -0.112 0.000 1.078 390 S CB -0.540 62.611 63.200 -0.083 0.000 1.302 390 S HN 0.171 8.431 8.310 -0.083 0.000 0.540 391 Q N 6.719 126.394 119.800 -0.210 0.000 2.227 391 Q HA 0.660 nan 4.340 nan 0.000 0.245 391 Q C -1.532 174.354 176.000 -0.190 0.000 0.926 391 Q CA -0.418 55.211 55.803 -0.289 0.000 0.895 391 Q CB 2.100 30.517 28.738 -0.536 0.000 1.230 391 Q HN -0.133 8.012 8.270 -0.209 0.000 0.450 392 I N 2.166 122.648 120.570 -0.146 0.000 2.890 392 I HA 0.208 nan 4.170 nan 0.000 0.301 392 I C -2.048 174.073 176.117 0.008 0.000 1.579 392 I CA -0.111 61.149 61.300 -0.066 0.000 0.959 392 I CB 2.971 40.929 38.000 -0.069 0.000 1.368 392 I HN 0.337 8.460 8.210 -0.145 0.000 0.536 393 N N -0.422 118.334 118.700 0.093 0.000 2.754 393 N HA -0.339 nan 4.740 nan 0.000 0.248 393 N C -1.450 174.266 175.510 0.343 0.000 1.093 393 N CA 0.740 53.932 53.050 0.238 0.000 0.699 393 N CB -1.140 37.505 38.487 0.263 0.000 1.016 393 N HN 0.275 8.700 8.380 0.075 0.000 0.552 394 R N -1.408 119.262 120.500 0.283 0.000 2.694 394 R HA 0.017 nan 4.340 nan 0.000 0.268 394 R C -1.195 175.306 176.300 0.335 0.000 1.061 394 R CA 0.437 56.740 56.100 0.339 0.000 1.133 394 R CB 0.929 31.373 30.300 0.239 0.000 1.020 394 R HN -0.274 8.087 8.270 0.190 0.024 0.475 395 Q N 2.661 122.652 119.800 0.319 0.000 2.309 395 Q HA 0.174 nan 4.340 nan 0.000 0.273 395 Q C -2.125 174.017 176.000 0.237 0.000 1.040 395 Q CA -0.840 55.135 55.803 0.286 0.000 0.834 395 Q CB 4.631 33.523 28.738 0.257 0.000 1.345 395 Q HN 0.444 8.909 8.270 0.324 0.000 0.414 396 V N 3.268 123.324 119.914 0.235 0.000 2.406 396 V HA 0.330 nan 4.120 nan 0.000 0.272 396 V C -0.536 175.724 176.094 0.277 0.000 1.043 396 V CA 0.056 62.486 62.300 0.216 0.000 0.915 396 V CB -0.254 31.681 31.823 0.186 0.000 0.988 396 V HN 0.658 8.998 8.190 0.251 0.000 0.466 397 I N 5.669 126.402 120.570 0.272 0.000 2.556 397 I HA 0.185 nan 4.170 nan 0.000 0.251 397 I C -0.338 176.036 176.117 0.429 0.000 1.105 397 I CA 0.312 61.785 61.300 0.289 0.000 1.436 397 I CB 0.740 38.832 38.000 0.154 0.000 1.139 397 I HN 0.173 8.544 8.210 0.267 0.000 0.438 398 V N -1.169 118.957 119.914 0.353 0.000 2.531 398 V HA 0.250 nan 4.120 nan 0.000 0.301 398 V C -1.285 174.939 176.094 0.218 0.000 1.034 398 V CA -2.450 60.028 62.300 0.297 0.000 0.865 398 V CB 2.083 34.080 31.823 0.290 0.000 0.995 398 V HN -0.276 8.125 8.190 0.351 0.000 0.424 399 D N 5.557 126.053 120.400 0.160 0.000 2.378 399 D HA -0.052 nan 4.640 nan 0.000 0.238 399 D C 0.439 176.805 176.300 0.110 0.000 1.180 399 D CA 0.639 54.708 54.000 0.116 0.000 0.895 399 D CB 1.384 42.230 40.800 0.077 0.000 1.192 399 D HN -0.158 8.302 8.370 0.149 0.000 0.438 400 S N -1.733 114.020 115.700 0.088 0.000 2.584 400 S HA -0.230 nan 4.470 nan 0.000 0.240 400 S C -0.012 174.628 174.600 0.066 0.000 0.975 400 S CA 2.125 60.370 58.200 0.076 0.000 0.949 400 S CB -0.248 62.987 63.200 0.058 0.000 0.761 400 S HN 0.266 8.623 8.310 0.079 0.000 0.536 401 D N -0.231 120.207 120.400 0.064 0.000 2.369 401 D HA 0.170 nan 4.640 nan 0.000 0.211 401 D C -0.932 175.404 176.300 0.059 0.000 1.077 401 D CA 0.672 54.703 54.000 0.052 0.000 0.842 401 D CB 0.729 41.552 40.800 0.038 0.000 0.947 401 D HN -0.358 8.217 8.370 0.069 -0.164 0.509 402 N N 0.085 118.834 118.700 0.082 0.000 2.335 402 N HA 0.250 nan 4.740 nan 0.000 0.304 402 N C -1.513 174.064 175.510 0.111 0.000 1.135 402 N CA -0.498 52.608 53.050 0.093 0.000 0.817 402 N CB 3.168 41.721 38.487 0.109 0.000 1.294 402 N HN -0.354 8.028 8.380 0.094 0.055 0.497 403 R N 0.391 120.956 120.500 0.108 0.000 2.543 403 R HA 0.256 nan 4.340 nan 0.000 0.277 403 R C -0.492 175.901 176.300 0.155 0.000 1.074 403 R CA 0.864 57.037 56.100 0.121 0.000 1.076 403 R CB 0.704 31.066 30.300 0.103 0.000 0.993 403 R HN 0.465 8.793 8.270 0.097 0.000 0.459 404 S N 1.426 117.231 115.700 0.175 0.000 3.848 404 S HA 0.427 nan 4.470 nan 0.000 0.266 404 S C -1.226 173.498 174.600 0.206 0.000 1.050 404 S CA -1.617 56.705 58.200 0.203 0.000 1.322 404 S CB 2.791 66.152 63.200 0.269 0.000 1.264 404 S HN 0.555 8.965 8.310 0.165 0.000 0.751 405 G N -0.638 108.311 108.800 0.248 0.000 2.566 405 G HA2 -0.022 nan 3.960 nan 0.000 0.138 405 G HA3 -0.022 nan 3.960 nan 0.000 0.138 405 G C -1.753 173.388 174.900 0.402 0.000 1.133 405 G CA 0.063 45.341 45.100 0.296 0.000 1.037 405 G HN -0.153 8.295 8.290 0.262 0.000 0.491 406 Y N 0.790 121.204 120.300 0.190 0.000 2.379 406 Y HA -0.053 nan 4.550 nan 0.000 0.354 406 Y C -0.394 175.620 175.900 0.190 0.000 1.269 406 Y CA 0.611 58.839 58.100 0.212 0.000 1.532 406 Y CB 1.054 39.666 38.460 0.253 0.000 1.371 406 Y HN 0.036 8.951 8.280 0.527 -0.319 0.666 407 S N -3.173 112.683 115.700 0.259 0.000 2.597 407 S HA 0.348 nan 4.470 nan 0.000 0.274 407 S C -2.161 172.398 174.600 -0.068 0.000 1.132 407 S CA -0.571 57.611 58.200 -0.030 0.000 0.835 407 S CB 2.918 66.149 63.200 0.051 0.000 1.092 407 S HN -0.017 8.417 8.310 0.207 0.000 0.457 408 G N -1.305 107.164 108.800 -0.551 0.000 2.619 408 G HA2 0.410 nan 3.960 nan 0.000 0.305 408 G HA3 0.410 nan 3.960 nan 0.000 0.305 408 G C -3.443 171.271 174.900 -0.310 0.000 1.330 408 G CA -0.500 44.529 45.100 -0.118 0.000 0.789 408 G HN -0.307 7.306 8.290 -1.127 0.000 0.487 409 I N -1.138 119.436 120.570 0.006 0.000 2.846 409 I HA 0.937 nan 4.170 nan 0.000 0.307 409 I C -2.472 173.752 176.117 0.179 0.000 1.053 409 I CA -2.814 58.409 61.300 -0.128 0.000 1.050 409 I CB 3.139 41.090 38.000 -0.082 0.000 1.239 409 I HN 0.145 8.466 8.210 0.185 0.000 0.439 410 F N 2.301 122.210 119.950 -0.068 0.000 2.619 410 F HA 0.686 nan 4.527 nan 0.000 0.308 410 F C -2.682 173.059 175.800 -0.098 0.000 1.097 410 F CA -1.990 56.016 58.000 0.010 0.000 0.953 410 F CB 2.826 41.922 39.000 0.160 0.000 1.287 410 F HN 0.345 8.354 8.300 -0.484 0.000 0.446 411 S N 0.621 116.330 115.700 0.014 0.000 2.501 411 S HA 0.777 nan 4.470 nan 0.000 0.301 411 S C -0.713 174.005 174.600 0.197 0.000 1.096 411 S CA -0.998 57.127 58.200 -0.126 0.000 1.063 411 S CB 1.899 64.867 63.200 -0.386 0.000 1.042 411 S HN 0.036 8.725 8.310 0.148 -0.291 0.494 412 V N -2.239 117.765 119.914 0.150 0.000 2.638 412 V HA 0.464 nan 4.120 nan 0.000 0.306 412 V C -2.010 174.229 176.094 0.242 0.000 1.052 412 V CA -2.294 60.161 62.300 0.259 0.000 0.885 412 V CB 2.995 34.899 31.823 0.134 0.000 0.999 412 V HN 0.328 8.506 8.190 -0.020 0.000 0.424 413 E N 5.904 126.253 120.200 0.247 0.000 2.180 413 E HA 0.120 nan 4.350 nan 0.000 0.283 413 E C -0.362 176.267 176.600 0.048 0.000 1.061 413 E CA -0.783 55.704 56.400 0.145 0.000 0.861 413 E CB 0.385 30.082 29.700 -0.005 0.000 1.056 413 E HN 0.411 8.895 8.360 0.206 0.000 0.407 414 G N 4.797 113.620 108.800 0.038 0.000 2.535 414 G HA2 0.097 nan 3.960 nan 0.000 0.282 414 G HA3 0.097 nan 3.960 nan 0.000 0.282 414 G C -0.935 173.965 174.900 0.001 0.000 1.350 414 G CA -1.156 43.949 45.100 0.008 0.000 1.039 414 G HN 0.258 8.581 8.290 0.055 0.000 0.509 415 K N -1.247 119.150 120.400 -0.005 0.000 2.155 415 K HA -0.252 nan 4.320 nan 0.000 0.203 415 K C 0.911 177.506 176.600 -0.008 0.000 1.052 415 K CA 2.368 58.650 56.287 -0.009 0.000 0.948 415 K CB 0.166 32.661 32.500 -0.008 0.000 0.728 415 K HN 0.395 8.642 8.250 -0.006 0.000 0.448 416 S N -4.964 110.734 115.700 -0.003 0.000 2.604 416 S HA 0.036 nan 4.470 nan 0.000 0.235 416 S C -0.466 174.137 174.600 0.005 0.000 1.043 416 S CA 0.070 58.270 58.200 -0.001 0.000 0.997 416 S CB 0.695 63.895 63.200 -0.000 0.000 0.956 416 S HN 0.048 8.356 8.310 -0.003 0.000 0.535 417 c N -2.579 116.027 118.600 0.009 0.000 3.321 417 c HA 0.662 nan 4.570 nan 0.000 0.329 417 c C -2.247 171.862 174.090 0.030 0.000 1.394 417 c CA -2.838 53.502 56.329 0.018 0.000 1.291 417 c CB 3.774 46.287 42.510 0.005 0.000 1.606 417 c HN -0.832 7.402 8.230 0.007 0.000 0.463 418 I N -1.507 119.088 120.570 0.043 0.000 2.321 418 I HA 0.577 nan 4.170 nan 0.000 0.291 418 I C -2.262 173.821 176.117 -0.057 0.000 0.998 418 I CA -1.446 59.892 61.300 0.064 0.000 1.227 418 I CB 1.356 39.469 38.000 0.189 0.000 1.368 418 I HN 0.713 8.945 8.210 0.037 0.000 0.466 419 N N 7.531 126.175 118.700 -0.093 0.000 2.482 419 N HA 0.247 nan 4.740 nan 0.000 0.279 419 N C -1.988 173.319 175.510 -0.339 0.000 1.182 419 N CA -1.291 51.636 53.050 -0.206 0.000 0.969 419 N CB 2.451 40.830 38.487 -0.180 0.000 1.201 419 N HN -0.056 8.305 8.380 -0.032 0.000 0.523 420 R N -0.725 119.491 120.500 -0.474 0.000 2.599 420 R HA 0.766 nan 4.340 nan 0.000 0.295 420 R C -1.387 174.555 176.300 -0.596 0.000 0.963 420 R CA -1.123 54.572 56.100 -0.675 0.000 0.883 420 R CB 2.918 32.524 30.300 -1.157 0.000 1.171 420 R HN 0.150 8.163 8.270 -0.428 0.000 0.450 421 c N 0.179 118.266 118.600 -0.855 0.000 3.259 421 c HA 1.029 nan 4.570 nan 0.000 0.328 421 c C -1.820 171.689 174.090 -0.968 0.000 1.425 421 c CA -1.648 54.111 56.329 -0.950 0.000 1.465 421 c CB 4.151 45.813 42.510 -1.413 0.000 1.890 421 c HN 0.404 8.073 8.230 -0.935 0.000 0.450 422 F N -3.565 115.891 119.950 -0.822 0.000 2.693 422 F HA 0.856 nan 4.527 nan 0.000 0.309 422 F C -3.444 172.263 175.800 -0.156 0.000 1.129 422 F CA -1.456 56.136 58.000 -0.679 0.000 0.948 422 F CB 2.378 40.529 39.000 -1.416 0.000 1.315 422 F HN 0.782 8.542 8.300 -0.900 0.000 0.447 423 Y N -3.972 116.402 120.300 0.123 0.000 2.598 423 Y HA 0.922 nan 4.550 nan 0.000 0.340 423 Y C -2.862 173.140 175.900 0.170 0.000 1.038 423 Y CA -2.929 55.237 58.100 0.110 0.000 1.100 423 Y CB 2.690 41.262 38.460 0.186 0.000 1.281 423 Y HN -0.165 7.790 8.280 -0.540 0.000 0.488 424 V N -2.135 117.878 119.914 0.166 0.000 2.668 424 V HA 0.468 nan 4.120 nan 0.000 0.304 424 V C -2.354 173.870 176.094 0.217 0.000 1.071 424 V CA -2.275 60.050 62.300 0.042 0.000 0.894 424 V CB 3.369 34.968 31.823 -0.372 0.000 1.008 424 V HN 0.173 8.516 8.190 0.255 0.000 0.425 425 E N 7.937 128.310 120.200 0.289 0.000 2.360 425 E HA 0.197 nan 4.350 nan 0.000 0.269 425 E C -0.917 175.807 176.600 0.206 0.000 1.022 425 E CA -0.548 56.017 56.400 0.274 0.000 0.887 425 E CB 1.464 31.349 29.700 0.309 0.000 0.990 425 E HN 0.021 8.561 8.360 0.299 0.000 0.426 426 L N 7.069 128.403 121.223 0.185 0.000 2.445 426 L HA 0.315 nan 4.340 nan 0.000 0.252 426 L C -0.469 176.499 176.870 0.163 0.000 1.105 426 L CA -1.941 53.002 54.840 0.171 0.000 0.943 426 L CB -0.190 41.971 42.059 0.169 0.000 1.277 426 L HN -0.050 8.290 8.230 0.184 0.000 0.465 427 I N 4.599 125.262 120.570 0.154 0.000 2.752 427 I HA -0.200 nan 4.170 nan 0.000 0.287 427 I C -0.389 175.818 176.117 0.149 0.000 1.188 427 I CA 1.841 63.227 61.300 0.144 0.000 1.427 427 I CB 0.083 38.150 38.000 0.112 0.000 1.365 427 I HN -0.428 7.877 8.210 0.158 0.000 0.585 428 R N 2.790 123.403 120.500 0.189 0.000 2.740 428 R HA 0.452 nan 4.340 nan 0.000 0.273 428 R C -1.232 175.166 176.300 0.163 0.000 0.998 428 R CA -2.268 53.944 56.100 0.187 0.000 0.900 428 R CB 3.858 34.334 30.300 0.294 0.000 1.223 428 R HN 0.411 8.816 8.270 0.225 0.000 0.466 429 G N 0.907 109.656 108.800 -0.085 0.000 2.451 429 G HA2 -0.386 nan 3.960 nan 0.000 0.208 429 G HA3 -0.386 nan 3.960 nan 0.000 0.208 429 G C -1.826 172.904 174.900 -0.284 0.000 1.248 429 G CA -0.581 44.281 45.100 -0.397 0.000 0.989 429 G HN 0.060 8.591 8.290 -0.085 -0.292 0.559 430 R N 1.943 122.255 120.500 -0.314 0.000 2.583 430 R HA -0.148 nan 4.340 nan 0.000 0.274 430 R C 0.205 176.420 176.300 -0.142 0.000 0.998 430 R CA 0.999 56.954 56.100 -0.242 0.000 1.081 430 R CB 0.189 30.366 30.300 -0.204 0.000 0.940 430 R HN 0.162 8.201 8.270 -0.384 0.000 0.413 431 K N 2.515 122.828 120.400 -0.146 0.000 8.117 431 K HA -0.235 nan 4.320 nan 0.000 0.199 431 K C 0.379 176.918 176.600 -0.102 0.000 1.588 431 K CA 1.625 57.855 56.287 -0.095 0.000 0.955 431 K CB -1.678 30.791 32.500 -0.053 0.000 0.369 431 K HN 0.435 8.570 8.250 -0.192 0.000 0.441 432 Q N 0.531 120.284 119.800 -0.078 0.000 2.016 432 Q HA -0.166 nan 4.340 nan 0.000 0.200 432 Q C 0.065 175.997 176.000 -0.113 0.000 0.978 432 Q CA 2.336 58.096 55.803 -0.072 0.000 0.833 432 Q CB 1.051 29.768 28.738 -0.036 0.000 0.895 432 Q HN 0.306 8.540 8.270 -0.060 0.000 0.427 433 E N -0.795 119.315 120.200 -0.150 0.000 2.081 433 E HA 0.091 nan 4.350 nan 0.000 0.281 433 E C -0.374 176.046 176.600 -0.301 0.000 0.986 433 E CA -0.505 55.774 56.400 -0.202 0.000 0.796 433 E CB 0.453 30.033 29.700 -0.199 0.000 1.085 433 E HN -0.337 7.938 8.360 -0.142 0.000 0.398 434 T N 1.575 115.954 114.554 -0.293 0.000 3.122 434 T HA 0.222 nan 4.350 nan 0.000 0.250 434 T C 1.233 175.665 174.700 -0.445 0.000 1.067 434 T CA 0.722 62.582 62.100 -0.401 0.000 0.966 434 T CB 0.216 68.883 68.868 -0.335 0.000 1.002 434 T HN 0.560 8.663 8.240 -0.228 0.000 0.542 435 R N 1.251 121.544 120.500 -0.346 0.000 2.073 435 R HA -0.160 nan 4.340 nan 0.000 0.229 435 R C -0.678 175.426 176.300 -0.327 0.000 1.120 435 R CA 2.202 58.141 56.100 -0.268 0.000 0.967 435 R CB 0.150 30.349 30.300 -0.169 0.000 0.862 435 R HN -0.119 7.903 8.270 -0.312 0.061 0.436 436 V N -8.031 111.595 119.914 -0.480 0.000 3.096 436 V HA 0.260 nan 4.120 nan 0.000 0.319 436 V C 0.007 175.697 176.094 -0.673 0.000 1.082 436 V CA -3.797 58.177 62.300 -0.543 0.000 1.022 436 V CB 1.996 33.212 31.823 -1.012 0.000 1.103 436 V HN -0.808 7.063 8.190 -0.531 0.000 0.455 437 W N -1.177 119.903 121.300 -0.367 0.000 3.220 437 W HA 0.326 nan 4.660 nan 0.000 0.328 437 W C -0.694 175.781 176.519 -0.074 0.000 1.205 437 W CA 0.875 58.119 57.345 -0.169 0.000 1.773 437 W CB 0.836 30.282 29.460 -0.024 0.000 1.086 437 W HN 0.457 8.636 8.180 -0.001 0.000 0.622 438 W N -4.760 116.640 121.300 0.168 0.000 2.492 438 W HA 0.722 nan 4.660 nan 0.000 0.373 438 W C -1.995 174.556 176.519 0.053 0.000 1.323 438 W CA -1.807 55.605 57.345 0.111 0.000 1.406 438 W CB 1.527 31.051 29.460 0.108 0.000 1.398 438 W HN -0.881 6.816 8.180 -0.716 0.053 0.671 439 T N 0.990 115.876 114.554 0.552 0.000 3.071 439 T HA 0.605 nan 4.350 nan 0.000 0.311 439 T C -1.732 173.207 174.700 0.398 0.000 1.042 439 T CA 0.075 62.415 62.100 0.401 0.000 1.028 439 T CB 2.101 71.060 68.868 0.152 0.000 1.068 439 T HN -0.293 8.253 8.240 0.510 0.000 0.451 440 S N 3.967 119.915 115.700 0.414 0.000 2.819 440 S HA 0.648 nan 4.470 nan 0.000 0.299 440 S C -2.484 172.242 174.600 0.210 0.000 1.192 440 S CA -1.782 56.558 58.200 0.234 0.000 0.847 440 S CB 1.363 64.623 63.200 0.099 0.000 1.224 440 S HN 0.530 9.141 8.310 0.502 0.000 0.537 441 N N -2.276 116.521 118.700 0.162 0.000 2.823 441 N HA 0.420 nan 4.740 nan 0.000 0.251 441 N C -2.054 173.544 175.510 0.147 0.000 1.392 441 N CA -0.416 52.730 53.050 0.160 0.000 0.864 441 N CB 4.076 42.653 38.487 0.148 0.000 1.481 441 N HN 0.059 8.523 8.380 0.140 0.000 0.508 442 S N -2.769 113.018 115.700 0.144 0.000 2.823 442 S HA 0.728 nan 4.470 nan 0.000 0.316 442 S C -1.304 173.376 174.600 0.132 0.000 1.116 442 S CA -1.467 56.804 58.200 0.119 0.000 0.911 442 S CB 3.596 66.859 63.200 0.104 0.000 1.276 442 S HN -0.144 8.259 8.310 0.154 0.000 0.565 443 I N -7.099 113.534 120.570 0.106 0.000 3.102 443 I HA 0.902 nan 4.170 nan 0.000 0.310 443 I C -2.607 173.577 176.117 0.112 0.000 1.246 443 I CA -1.300 60.081 61.300 0.135 0.000 0.979 443 I CB 4.174 42.248 38.000 0.123 0.000 1.267 443 I HN -0.367 8.056 8.210 0.072 -0.170 0.451 444 V N 1.728 121.727 119.914 0.142 0.000 2.851 444 V HA 0.742 nan 4.120 nan 0.000 0.307 444 V C -3.084 173.075 176.094 0.107 0.000 1.129 444 V CA -1.661 60.705 62.300 0.109 0.000 0.932 444 V CB 3.757 35.704 31.823 0.207 0.000 1.024 444 V HN -0.234 8.067 8.190 0.185 0.000 0.426 445 V N 5.190 125.101 119.914 -0.006 0.000 2.686 445 V HA 1.012 nan 4.120 nan 0.000 0.306 445 V C -2.598 173.356 176.094 -0.233 0.000 1.065 445 V CA -2.482 59.816 62.300 -0.003 0.000 0.894 445 V CB 3.317 35.274 31.823 0.224 0.000 1.004 445 V HN 0.703 8.722 8.190 -0.114 0.103 0.424 446 F N 5.320 124.863 119.950 -0.678 0.000 2.556 446 F HA 0.836 nan 4.527 nan 0.000 0.327 446 F C -1.243 174.201 175.800 -0.593 0.000 1.059 446 F CA -2.834 54.794 58.000 -0.620 0.000 0.953 446 F CB 4.420 42.969 39.000 -0.752 0.000 1.227 446 F HN 0.432 8.316 8.300 -0.693 0.000 0.478 447 c N -0.136 118.342 118.600 -0.204 0.000 2.802 447 c HA 0.732 nan 4.570 nan 0.000 0.307 447 c C -0.557 173.553 174.090 0.032 0.000 1.222 447 c CA -1.103 55.074 56.329 -0.253 0.000 1.580 447 c CB 4.168 46.341 42.510 -0.562 0.000 2.119 447 c HN 0.615 8.778 8.230 -0.112 0.000 0.479 448 G N 1.458 110.275 108.800 0.028 0.000 2.544 448 G HA2 0.250 nan 3.960 nan 0.000 0.242 448 G HA3 0.250 nan 3.960 nan 0.000 0.242 448 G C -1.718 173.035 174.900 -0.245 0.000 1.247 448 G CA 0.934 45.878 45.100 -0.261 0.000 0.840 448 G HN 0.080 8.342 8.290 -0.046 0.000 0.578 449 T N 0.012 114.402 114.554 -0.274 0.000 2.916 449 T HA 0.353 nan 4.350 nan 0.000 0.305 449 T C -0.945 173.705 174.700 -0.084 0.000 1.119 449 T CA -1.156 60.872 62.100 -0.121 0.000 1.008 449 T CB 1.756 70.607 68.868 -0.028 0.000 1.129 449 T HN 0.239 8.220 8.240 -0.431 0.000 0.480 450 S N 4.792 120.474 115.700 -0.031 0.000 2.540 450 S HA 0.390 nan 4.470 nan 0.000 0.218 450 S C 0.211 174.834 174.600 0.038 0.000 0.977 450 S CA -0.602 57.600 58.200 0.003 0.000 0.918 450 S CB 0.354 63.553 63.200 -0.002 0.000 0.806 450 S HN 0.418 8.711 8.310 -0.028 0.000 0.496 451 G N 3.093 111.926 108.800 0.054 0.000 2.630 451 G HA2 0.080 nan 3.960 nan 0.000 0.223 451 G HA3 0.080 nan 3.960 nan 0.000 0.223 451 G C -1.124 173.837 174.900 0.102 0.000 1.434 451 G CA -0.569 44.570 45.100 0.066 0.000 1.057 451 G HN -0.524 7.730 8.290 0.050 0.067 0.570 452 T N -0.282 114.319 114.554 0.078 0.000 2.912 452 T HA 0.410 nan 4.350 nan 0.000 0.280 452 T C -1.132 173.649 174.700 0.136 0.000 0.989 452 T CA -0.261 61.843 62.100 0.007 0.000 0.995 452 T CB 1.546 70.403 68.868 -0.017 0.000 1.077 452 T HN -0.086 8.195 8.240 0.069 0.000 0.531 453 Y N -3.044 117.309 120.300 0.089 0.000 2.750 453 Y HA 0.511 nan 4.550 nan 0.000 0.335 453 Y C -1.164 174.823 175.900 0.144 0.000 1.252 453 Y CA -1.179 56.996 58.100 0.124 0.000 1.064 453 Y CB 0.391 38.940 38.460 0.148 0.000 1.321 453 Y HN -0.081 7.973 8.280 -0.376 0.000 0.451 454 G N -0.650 108.408 108.800 0.431 0.000 3.194 454 G HA2 0.546 nan 3.960 nan 0.000 0.160 454 G HA3 0.546 nan 3.960 nan 0.000 0.160 454 G C -1.869 173.284 174.900 0.421 0.000 1.267 454 G CA -1.154 44.139 45.100 0.321 0.000 0.962 454 G HN 0.474 9.062 8.290 0.497 0.000 0.612 455 T N -0.778 113.973 114.554 0.328 0.000 2.883 455 T HA 0.492 nan 4.350 nan 0.000 0.296 455 T C -1.406 173.427 174.700 0.221 0.000 1.117 455 T CA 0.363 62.639 62.100 0.293 0.000 1.006 455 T CB 1.705 70.682 68.868 0.181 0.000 1.191 455 T HN 0.041 8.441 8.240 0.268 0.000 0.508 456 G N 2.242 111.098 108.800 0.094 0.000 2.336 456 G HA2 0.029 nan 3.960 nan 0.000 0.286 456 G HA3 0.029 nan 3.960 nan 0.000 0.286 456 G C -3.152 171.505 174.900 -0.405 0.000 1.269 456 G CA 0.752 45.629 45.100 -0.372 0.000 0.873 456 G HN 0.061 8.456 8.290 0.175 0.000 0.494 457 S N -0.366 114.798 115.700 -0.894 0.000 2.583 457 S HA 0.220 nan 4.470 nan 0.000 0.294 457 S C -2.005 172.380 174.600 -0.358 0.000 1.121 457 S CA 0.291 58.351 58.200 -0.233 0.000 0.910 457 S CB 1.614 64.764 63.200 -0.084 0.000 1.102 457 S HN -0.125 7.213 8.310 -1.621 0.000 0.451 458 W N 5.918 127.336 121.300 0.197 0.000 2.387 458 W HA 0.308 nan 4.660 nan 0.000 0.285 458 W C -2.553 174.065 176.519 0.165 0.000 1.011 458 W CA -1.418 56.038 57.345 0.185 0.000 1.576 458 W CB 1.987 31.593 29.460 0.243 0.000 1.540 458 W HN 0.088 8.681 8.180 0.688 0.000 0.383 459 P HA 0.378 nan 4.420 nan 0.000 0.281 459 P C 0.107 177.524 177.300 0.195 0.000 1.281 459 P CA -1.138 62.095 63.100 0.222 0.000 0.811 459 P CB 2.202 33.997 31.700 0.157 0.000 1.154 460 D N 1.193 121.694 120.400 0.169 0.000 2.154 460 D HA -0.432 nan 4.640 nan 0.000 0.190 460 D C 0.918 177.298 176.300 0.134 0.000 1.003 460 D CA 2.739 56.829 54.000 0.150 0.000 0.849 460 D CB 0.195 41.082 40.800 0.145 0.000 0.942 460 D HN 0.494 8.965 8.370 0.168 0.000 0.446 461 G N -3.762 105.109 108.800 0.119 0.000 2.213 461 G HA2 -0.369 nan 3.960 nan 0.000 0.236 461 G HA3 -0.369 nan 3.960 nan 0.000 0.236 461 G C -0.849 174.110 174.900 0.099 0.000 0.991 461 G CA -0.224 44.938 45.100 0.104 0.000 0.629 461 G HN 0.133 8.493 8.290 0.116 0.000 0.517 462 A N 1.063 123.948 122.820 0.109 0.000 2.304 462 A HA 0.133 nan 4.320 nan 0.000 0.271 462 A C -1.225 176.393 177.584 0.057 0.000 1.091 462 A CA -0.540 51.566 52.037 0.116 0.000 0.812 462 A CB 0.742 19.835 19.000 0.155 0.000 1.056 462 A HN -0.551 7.879 8.150 0.118 -0.210 0.489 463 N N 0.291 118.995 118.700 0.006 0.000 2.469 463 N HA 0.097 nan 4.740 nan 0.000 0.253 463 N C 0.506 175.932 175.510 -0.141 0.000 0.970 463 N CA -1.462 51.464 53.050 -0.207 0.000 0.940 463 N CB 0.885 38.965 38.487 -0.678 0.000 1.128 463 N HN 0.223 8.660 8.380 0.095 0.000 0.503 464 I N 6.282 126.808 120.570 -0.075 0.000 2.502 464 I HA -0.441 nan 4.170 nan 0.000 0.258 464 I C 0.083 176.185 176.117 -0.025 0.000 1.172 464 I CA 1.237 62.528 61.300 -0.014 0.000 1.430 464 I CB 0.292 38.258 38.000 -0.056 0.000 1.086 464 I HN 0.673 8.835 8.210 -0.079 0.000 0.440 465 N N -1.192 117.424 118.700 -0.140 0.000 2.494 465 N HA -0.234 nan 4.740 nan 0.000 0.182 465 N C 1.180 176.757 175.510 0.112 0.000 1.076 465 N CA 2.497 55.501 53.050 -0.077 0.000 0.908 465 N CB 0.028 38.423 38.487 -0.153 0.000 0.967 465 N HN 0.027 8.542 8.380 -0.255 -0.287 0.449 466 F N -2.603 117.393 119.950 0.077 0.000 2.656 466 F HA 0.027 nan 4.527 nan 0.000 0.291 466 F C 0.723 176.586 175.800 0.104 0.000 1.122 466 F CA -0.167 57.880 58.000 0.077 0.000 1.427 466 F CB 0.607 39.648 39.000 0.068 0.000 1.125 466 F HN -0.215 7.891 8.300 -0.056 0.160 0.583 467 M N 0.770 120.565 119.600 0.325 0.000 2.248 467 M HA 0.172 nan 4.480 nan 0.000 0.337 467 M C -1.905 174.583 176.300 0.314 0.000 1.121 467 M CA -2.826 52.672 55.300 0.330 0.000 1.155 467 M CB -1.283 31.596 32.600 0.464 0.000 1.514 467 M HN -0.834 7.577 8.290 0.268 0.040 0.452 468 P HA 0.145 nan 4.420 nan 0.000 0.272 468 P C -0.658 176.893 177.300 0.419 0.000 1.223 468 P CA 0.117 63.384 63.100 0.278 0.000 0.784 468 P CB 0.176 31.988 31.700 0.186 0.000 0.923 469 I N 0.000 120.755 120.570 0.308 0.000 2.984 469 I HA 0.000 nan 4.170 nan 0.000 0.288 469 I CA 0.000 61.495 61.300 0.326 0.000 1.566 469 I CB 0.000 38.282 38.000 0.469 0.000 1.214 469 I HN 0.000 8.347 8.210 0.228 0.000 0.494