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 1ohf_1_D DATA FIRST_RESID 43 DATA SEQUENCE IDNVTAAAQE LGQSLDANVI TFPTNVATMP EFRSWARGKL DIDQDSIGWY DATA SEQUENCE FKYLDPAGAT ESARAVGEYS KIPDGLVKFS VDAEIREIYN EECPTVSDAS DATA SEQUENCE IPLDGAQWSL SIISYPMFRT AYFAVANVDN KEISLDVTND LIVWLNNLAS DATA SEQUENCE WRDVVDSGQW FTFSDDPTWF VRIRVLHPTY DLPDPTEGLL RTVSDYRLTY DATA SEQUENCE KSITCEANMP TLVDQGFWIG GHYALTPIAT TQNAVEGSGF VHPFNVTRPG DATA SEQUENCE IAAGVTLTWA SMPPGGSAPS GDPAWIPDST TQFQWRHGGF DAPTGVITYT DATA SEQUENCE IPRGYTMQYF DTTTNEWNGF ANPDDVVTFG QTGGAAGTNA TITITAPTVT DATA SEQUENCE LTILATTTSA ANVINFRNLD AETTAASNRS EVPLPPLTFG QTAPNNPKIE DATA SEQUENCE QTLVKDTLGS YLVHSKMRNP VFQLTPASSF GAISFTNPGF DRNLDLPGFG DATA SEQUENCE GIRDSLDVNM STAVCHFRSL SKSCSIVTKT YQGWEGVTNV NTPFGQFAHS DATA SEQUENCE GLLKNDEILC LADDLATRLT GVYGATDNFA AAVLAFAANM LTSVLKSEAT DATA SEQUENCE TSVIKELGNX XXXXXXXXXX XLPGLLASIP GKIAARVRAR RDRRRAARM 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 43 I HA 0.000 nan 4.170 nan 0.000 0.288 43 I C 0.000 176.123 176.117 0.010 0.000 1.063 43 I CA 0.000 61.314 61.300 0.023 0.000 1.566 43 I CB 0.000 38.017 38.000 0.028 0.000 1.214 44 D N 5.245 125.648 120.400 0.005 0.000 2.361 44 D HA 0.112 4.752 4.640 -0.000 0.000 0.239 44 D C 0.961 177.253 176.300 -0.013 0.000 1.200 44 D CA 0.119 54.117 54.000 -0.004 0.000 0.915 44 D CB 0.976 41.773 40.800 -0.006 0.000 1.170 44 D HN 0.401 nan 8.370 nan 0.000 0.444 45 N N 0.815 119.506 118.700 -0.015 0.000 2.043 45 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 45 N C 1.854 177.346 175.510 -0.030 0.000 1.037 45 N CA 1.320 54.359 53.050 -0.019 0.000 0.851 45 N CB -0.358 38.119 38.487 -0.016 0.000 1.027 45 N HN 0.360 nan 8.380 nan 0.000 0.422 46 V N 1.328 121.221 119.914 -0.036 0.000 2.287 46 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 46 V C 2.678 178.733 176.094 -0.065 0.000 1.053 46 V CA 2.265 64.535 62.300 -0.050 0.000 1.027 46 V CB -1.305 30.485 31.823 -0.055 0.000 0.646 46 V HN 0.548 nan 8.190 nan 0.000 0.447 47 T N -1.140 113.375 114.554 -0.065 0.000 2.915 47 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 47 T C 1.843 176.481 174.700 -0.104 0.000 1.071 47 T CA 1.389 63.437 62.100 -0.087 0.000 1.132 47 T CB -0.315 68.517 68.868 -0.060 0.000 0.878 47 T HN 0.464 nan 8.240 nan 0.000 0.479 48 A N 1.608 124.388 122.820 -0.068 0.000 1.930 48 A HA 0.443 4.763 4.320 -0.000 0.000 0.217 48 A C 2.810 180.356 177.584 -0.064 0.000 1.175 48 A CA 1.569 53.571 52.037 -0.058 0.000 0.627 48 A CB -1.312 17.673 19.000 -0.025 0.000 0.815 48 A HN 0.739 nan 8.150 nan 0.000 0.443 49 A N -0.047 122.740 122.820 -0.056 0.000 1.898 49 A HA 0.207 4.527 4.320 -0.000 0.000 0.216 49 A C 2.496 180.042 177.584 -0.063 0.000 1.181 49 A CA 1.915 53.923 52.037 -0.047 0.000 0.620 49 A CB -1.011 17.965 19.000 -0.040 0.000 0.819 49 A HN 1.023 nan 8.150 nan 0.000 0.442 50 A N -0.709 122.059 122.820 -0.088 0.000 1.933 50 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 50 A C 2.113 179.617 177.584 -0.134 0.000 1.175 50 A CA 1.749 53.725 52.037 -0.102 0.000 0.628 50 A CB -0.576 18.351 19.000 -0.122 0.000 0.814 50 A HN 0.656 nan 8.150 nan 0.000 0.444 51 Q N -0.718 118.960 119.800 -0.203 0.000 2.084 51 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 51 Q C 2.080 178.031 176.000 -0.082 0.000 0.978 51 Q CA 1.709 57.334 55.803 -0.297 0.000 0.844 51 Q CB -0.154 28.344 28.738 -0.400 0.000 0.898 51 Q HN 0.761 nan 8.270 nan 0.000 0.426 52 E N 0.354 120.532 120.200 -0.036 0.000 2.047 52 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 52 E C 2.088 178.702 176.600 0.022 0.000 0.987 52 E CA 0.674 57.082 56.400 0.013 0.000 0.799 52 E CB -0.042 29.663 29.700 0.007 0.000 0.752 52 E HN 0.309 nan 8.360 nan 0.000 0.449 53 L N 0.384 121.608 121.223 0.001 0.000 2.079 53 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 53 L C 2.526 179.415 176.870 0.031 0.000 1.081 53 L CA 1.247 56.093 54.840 0.010 0.000 0.752 53 L CB -0.632 41.423 42.059 -0.008 0.000 0.896 53 L HN 0.255 nan 8.230 nan 0.000 0.433 54 G N -1.153 107.665 108.800 0.029 0.000 2.440 54 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 54 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 54 G C 1.482 176.457 174.900 0.126 0.000 1.154 54 G CA 0.321 45.463 45.100 0.070 0.000 0.767 54 G HN 0.280 nan 8.290 nan 0.000 0.552 55 Q N 0.844 120.727 119.800 0.138 0.000 2.230 55 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 55 Q C 2.928 179.021 176.000 0.156 0.000 0.963 55 Q CA 1.445 57.355 55.803 0.177 0.000 0.866 55 Q CB -0.253 28.566 28.738 0.136 0.000 0.931 55 Q HN 0.659 nan 8.270 nan 0.000 0.452 56 S N -0.417 115.343 115.700 0.100 0.000 2.446 56 S HA 0.063 4.533 4.470 -0.000 0.000 0.225 56 S C 1.971 176.614 174.600 0.072 0.000 1.016 56 S CA 0.125 58.374 58.200 0.080 0.000 0.943 56 S CB -0.279 62.952 63.200 0.051 0.000 0.786 56 S HN 0.226 nan 8.310 nan 0.000 0.508 57 L N 1.174 122.438 121.223 0.068 0.000 2.291 57 L HA 0.050 4.390 4.340 -0.000 0.000 0.214 57 L C 1.108 178.008 176.870 0.050 0.000 1.120 57 L CA 0.947 55.817 54.840 0.050 0.000 0.799 57 L CB -0.252 41.833 42.059 0.044 0.000 0.925 57 L HN 0.229 nan 8.230 nan 0.000 0.446 58 D N -0.599 119.853 120.400 0.087 0.000 2.363 58 D HA 0.135 4.775 4.640 -0.000 0.000 0.214 58 D C 1.947 178.283 176.300 0.061 0.000 1.093 58 D CA 0.436 54.469 54.000 0.054 0.000 0.837 58 D CB 0.572 41.455 40.800 0.137 0.000 0.948 58 D HN 0.111 nan 8.370 nan 0.000 0.507 59 A N 0.997 123.881 122.820 0.106 0.000 1.997 59 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 59 A C 1.555 179.178 177.584 0.064 0.000 1.172 59 A CA 1.284 53.395 52.037 0.124 0.000 0.645 59 A CB -0.135 18.916 19.000 0.085 0.000 0.813 59 A HN 0.139 nan 8.150 nan 0.000 0.454 60 N N -0.138 118.556 118.700 -0.009 0.000 2.328 60 N HA 0.196 4.936 4.740 -0.000 0.000 0.247 60 N C 0.127 175.570 175.510 -0.112 0.000 1.165 60 N CA 0.460 53.485 53.050 -0.041 0.000 0.873 60 N CB 0.742 39.215 38.487 -0.023 0.000 1.125 60 N HN 0.432 nan 8.380 nan 0.000 0.513 61 V N -1.179 118.597 119.914 -0.231 0.000 3.264 61 V HA 0.265 4.385 4.120 -0.000 0.000 0.304 61 V C 1.501 177.428 176.094 -0.279 0.000 1.086 61 V CA -0.430 61.681 62.300 -0.315 0.000 1.090 61 V CB 1.098 32.593 31.823 -0.547 0.000 1.112 61 V HN -0.060 nan 8.190 nan 0.000 0.472 62 I N 0.610 121.046 120.570 -0.224 0.000 3.968 62 I HA 0.339 4.509 4.170 -0.000 0.000 0.328 62 I C 0.703 176.744 176.117 -0.127 0.000 1.290 62 I CA 0.982 62.198 61.300 -0.139 0.000 1.163 62 I CB 0.198 38.137 38.000 -0.102 0.000 1.024 62 I HN 1.070 nan 8.210 nan 0.000 0.413 63 T N -0.830 113.593 114.554 -0.218 0.000 2.957 63 T HA 0.378 4.728 4.350 -0.000 0.000 0.336 63 T C -1.251 173.302 174.700 -0.244 0.000 1.462 63 T CA -0.465 61.566 62.100 -0.115 0.000 1.073 63 T CB 0.295 69.140 68.868 -0.038 0.000 1.319 63 T HN -0.166 nan 8.240 nan 0.000 0.485 64 F N 2.726 122.675 119.950 -0.001 0.000 2.450 64 F HA 0.632 5.159 4.527 -0.000 0.000 0.328 64 F C -1.635 174.164 175.800 -0.001 0.000 1.068 64 F CA -2.020 55.981 58.000 0.003 0.000 1.007 64 F CB 0.360 39.358 39.000 -0.004 0.000 1.251 64 F HN 0.379 nan 8.300 nan 0.000 0.492 65 P HA 0.058 nan 4.420 nan 0.000 0.266 65 P C 0.557 177.877 177.300 0.033 0.000 1.195 65 P CA 0.204 63.358 63.100 0.090 0.000 0.768 65 P CB 0.569 32.324 31.700 0.091 0.000 0.838 66 T N -1.698 112.824 114.554 -0.054 0.000 3.009 66 T HA -0.014 4.336 4.350 -0.000 0.000 0.258 66 T C 0.807 175.438 174.700 -0.115 0.000 1.063 66 T CA 0.386 62.418 62.100 -0.113 0.000 1.139 66 T CB -0.256 68.455 68.868 -0.261 0.000 0.890 66 T HN 0.251 nan 8.240 nan 0.000 0.471 67 N N 1.506 120.139 118.700 -0.111 0.000 2.485 67 N HA 0.251 4.991 4.740 -0.000 0.000 0.243 67 N C 0.886 176.370 175.510 -0.043 0.000 0.987 67 N CA -0.294 52.709 53.050 -0.078 0.000 0.940 67 N CB 1.507 39.950 38.487 -0.073 0.000 1.122 67 N HN 0.019 nan 8.380 nan 0.000 0.509 68 V N 3.128 123.003 119.914 -0.065 0.000 2.594 68 V HA -0.169 3.951 4.120 -0.000 0.000 0.253 68 V C 2.192 178.286 176.094 0.000 0.000 1.069 68 V CA 1.940 64.192 62.300 -0.079 0.000 1.082 68 V CB -0.839 30.874 31.823 -0.184 0.000 0.680 68 V HN 0.761 nan 8.190 nan 0.000 0.469 69 A N 0.621 123.441 122.820 0.000 0.000 2.225 69 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 69 A C 2.232 179.838 177.584 0.038 0.000 1.164 69 A CA 1.783 53.832 52.037 0.020 0.000 0.710 69 A CB -0.720 18.278 19.000 -0.003 0.000 0.780 69 A HN 0.650 nan 8.150 nan 0.000 0.473 70 T N -3.202 111.382 114.554 0.050 0.000 3.169 70 T HA 0.429 4.779 4.350 -0.000 0.000 0.250 70 T C 0.381 175.149 174.700 0.113 0.000 1.111 70 T CA -0.065 62.074 62.100 0.064 0.000 1.010 70 T CB -0.494 68.408 68.868 0.057 0.000 0.984 70 T HN 0.311 nan 8.240 nan 0.000 0.537 71 M N 1.719 121.418 119.600 0.166 0.000 2.072 71 M HA 0.366 4.846 4.480 -0.000 0.000 0.331 71 M C -2.175 174.274 176.300 0.249 0.000 1.004 71 M CA -2.453 52.991 55.300 0.241 0.000 0.952 71 M CB 2.238 35.081 32.600 0.404 0.000 1.511 71 M HN -0.177 nan 8.290 nan 0.000 0.422 72 P HA -0.245 nan 4.420 nan 0.000 0.216 72 P C 1.100 178.594 177.300 0.323 0.000 1.150 72 P CA 1.308 64.611 63.100 0.337 0.000 0.843 72 P CB -0.038 31.862 31.700 0.333 0.000 0.787 73 E N -0.726 119.541 120.200 0.112 0.000 2.409 73 E HA -0.148 4.202 4.350 -0.000 0.000 0.198 73 E C 0.859 177.309 176.600 -0.251 0.000 1.024 73 E CA 1.084 57.421 56.400 -0.105 0.000 0.861 73 E CB -0.919 28.613 29.700 -0.281 0.000 0.788 73 E HN 0.334 nan 8.360 nan 0.000 0.521 74 F N 0.495 120.521 119.950 0.127 0.000 2.682 74 F HA 0.294 4.821 4.527 -0.000 0.000 0.308 74 F C 1.103 176.947 175.800 0.074 0.000 1.093 74 F CA -0.664 57.388 58.000 0.086 0.000 1.244 74 F CB 0.554 39.586 39.000 0.053 0.000 1.052 74 F HN -0.246 nan 8.300 nan 0.000 0.573 75 R N 0.137 120.772 120.500 0.225 0.000 2.549 75 R HA 0.396 4.736 4.340 -0.000 0.000 0.267 75 R C -0.064 176.260 176.300 0.039 0.000 1.045 75 R CA -0.348 55.787 56.100 0.058 0.000 1.115 75 R CB 1.071 31.296 30.300 -0.126 0.000 1.121 75 R HN -0.152 nan 8.270 nan 0.000 0.543 76 S N 1.525 117.171 115.700 -0.090 0.000 2.409 76 S HA 0.197 4.667 4.470 -0.000 0.000 0.308 76 S C -0.939 173.587 174.600 -0.123 0.000 1.080 76 S CA -0.532 57.648 58.200 -0.033 0.000 1.081 76 S CB 0.049 63.231 63.200 -0.029 0.000 1.009 76 S HN 0.277 nan 8.310 nan 0.000 0.502 77 W N 2.833 124.136 121.300 0.004 0.000 2.342 77 W HA 0.573 5.233 4.660 -0.000 0.000 0.310 77 W C 0.215 176.732 176.519 -0.003 0.000 1.128 77 W CA -0.569 56.776 57.345 -0.001 0.000 1.322 77 W CB 0.483 29.939 29.460 -0.006 0.000 1.251 77 W HN 0.595 nan 8.180 nan 0.000 0.439 78 A N 3.822 126.732 122.820 0.150 0.000 2.303 78 A HA 0.698 5.018 4.320 -0.000 0.000 0.320 78 A C 0.426 178.072 177.584 0.103 0.000 1.192 78 A CA -0.915 51.182 52.037 0.099 0.000 0.821 78 A CB 0.480 19.502 19.000 0.037 0.000 1.188 78 A HN 0.804 nan 8.150 nan 0.000 0.492 79 R N 1.650 122.206 120.500 0.093 0.000 3.333 79 R HA -0.222 4.118 4.340 -0.000 0.000 0.256 79 R C 1.093 177.459 176.300 0.111 0.000 1.010 79 R CA 0.910 57.056 56.100 0.077 0.000 0.680 79 R CB -2.067 28.263 30.300 0.050 0.000 1.102 79 R HN 2.396 nan 8.270 nan 0.000 0.440 80 G N -0.483 108.414 108.800 0.162 0.000 2.186 80 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.266 80 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.266 80 G C 0.069 175.189 174.900 0.366 0.000 0.982 80 G CA 1.237 46.462 45.100 0.209 0.000 0.670 80 G HN 0.439 nan 8.290 nan 0.000 0.533 81 K N -0.686 119.903 120.400 0.314 0.000 2.328 81 K HA 0.671 4.991 4.320 -0.000 0.000 0.246 81 K C 0.444 176.976 176.600 -0.113 0.000 0.955 81 K CA -1.061 55.331 56.287 0.175 0.000 0.817 81 K CB 1.879 34.411 32.500 0.054 0.000 1.208 81 K HN 0.080 nan 8.250 nan 0.000 0.432 82 L N 2.607 123.541 121.223 -0.483 0.000 2.467 82 L HA 0.032 4.372 4.340 -0.000 0.000 0.270 82 L C 0.612 177.249 176.870 -0.388 0.000 1.205 82 L CA -0.106 54.254 54.840 -0.799 0.000 0.828 82 L CB 0.346 41.973 42.059 -0.721 0.000 1.101 82 L HN 0.757 nan 8.230 nan 0.000 0.479 83 D N 2.613 122.801 120.400 -0.353 0.000 2.358 83 D HA 0.094 4.734 4.640 -0.000 0.000 0.244 83 D C 0.022 176.224 176.300 -0.163 0.000 1.163 83 D CA -0.411 53.472 54.000 -0.195 0.000 0.945 83 D CB 1.480 42.191 40.800 -0.149 0.000 1.152 83 D HN 0.285 nan 8.370 nan 0.000 0.451 84 I N 2.043 122.543 120.570 -0.116 0.000 2.293 84 I HA -0.050 4.120 4.170 -0.000 0.000 0.299 84 I C 0.759 176.833 176.117 -0.071 0.000 1.153 84 I CA -0.447 60.793 61.300 -0.100 0.000 1.302 84 I CB -0.307 37.631 38.000 -0.104 0.000 1.460 84 I HN 0.330 nan 8.210 nan 0.000 0.552 85 D N 5.588 125.948 120.400 -0.067 0.000 2.360 85 D HA -0.086 4.554 4.640 -0.000 0.000 0.242 85 D C 0.890 177.192 176.300 0.003 0.000 1.184 85 D CA -0.440 53.539 54.000 -0.035 0.000 0.930 85 D CB 0.886 41.662 40.800 -0.040 0.000 1.161 85 D HN 0.594 nan 8.370 nan 0.000 0.447 86 Q N 0.228 120.043 119.800 0.024 0.000 2.170 86 Q HA -0.208 4.132 4.340 -0.000 0.000 0.203 86 Q C 0.670 176.731 176.000 0.101 0.000 0.976 86 Q CA 1.472 57.313 55.803 0.064 0.000 0.858 86 Q CB -0.021 28.752 28.738 0.059 0.000 0.907 86 Q HN 0.437 nan 8.270 nan 0.000 0.433 87 D N 0.426 120.875 120.400 0.082 0.000 2.117 87 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 87 D C 2.065 178.461 176.300 0.161 0.000 0.987 87 D CA 1.393 55.461 54.000 0.114 0.000 0.829 87 D CB -0.095 40.742 40.800 0.061 0.000 0.961 87 D HN 0.231 nan 8.370 nan 0.000 0.460 88 S N 0.832 116.596 115.700 0.108 0.000 2.359 88 S HA -0.123 4.347 4.470 -0.000 0.000 0.224 88 S C 2.259 176.982 174.600 0.206 0.000 1.035 88 S CA 0.651 58.934 58.200 0.139 0.000 1.018 88 S CB -0.241 62.983 63.200 0.039 0.000 0.876 88 S HN 0.269 nan 8.310 nan 0.000 0.448 89 I N 1.429 122.073 120.570 0.124 0.000 2.286 89 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 89 I C 2.676 178.956 176.117 0.271 0.000 1.115 89 I CA 1.100 62.469 61.300 0.116 0.000 1.392 89 I CB -1.008 37.069 38.000 0.128 0.000 1.065 89 I HN 0.363 nan 8.210 nan 0.000 0.418 90 G N 0.463 109.440 108.800 0.296 0.000 2.480 90 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.216 90 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.216 90 G C 1.400 176.490 174.900 0.317 0.000 1.200 90 G CA 0.783 46.083 45.100 0.334 0.000 0.782 90 G HN 0.538 nan 8.290 nan 0.000 0.554 91 W N 0.551 121.969 121.300 0.196 0.000 2.338 91 W HA -0.133 4.527 4.660 -0.000 0.000 0.304 91 W C 2.259 178.851 176.519 0.121 0.000 1.212 91 W CA 1.542 58.980 57.345 0.155 0.000 1.264 91 W CB -0.622 28.893 29.460 0.093 0.000 1.142 91 W HN 0.264 nan 8.180 nan 0.000 0.512 92 Y N -0.017 120.218 120.300 -0.109 0.000 2.040 92 Y HA -0.343 4.207 4.550 -0.000 0.000 0.275 92 Y C 2.231 177.862 175.900 -0.448 0.000 1.171 92 Y CA 2.756 60.615 58.100 -0.403 0.000 1.123 92 Y CB -1.334 36.929 38.460 -0.327 0.000 0.963 92 Y HN 0.022 nan 8.280 nan 0.000 0.493 93 F N -0.087 119.738 119.950 -0.209 0.000 2.146 93 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 93 F C 2.419 177.954 175.800 -0.442 0.000 1.096 93 F CA 1.454 59.254 58.000 -0.333 0.000 1.275 93 F CB -0.344 38.565 39.000 -0.151 0.000 1.008 93 F HN -0.058 nan 8.300 nan 0.000 0.480 94 K N -0.215 120.011 120.400 -0.290 0.000 2.097 94 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 94 K C 1.854 178.043 176.600 -0.685 0.000 1.049 94 K CA 1.230 57.156 56.287 -0.602 0.000 0.933 94 K CB -0.727 31.338 32.500 -0.725 0.000 0.717 94 K HN 0.308 nan 8.250 nan 0.000 0.442 95 Y N 0.234 120.051 120.300 -0.805 0.000 2.293 95 Y HA -0.064 4.486 4.550 -0.000 0.000 0.291 95 Y C 1.295 176.943 175.900 -0.419 0.000 1.137 95 Y CA 1.464 59.165 58.100 -0.665 0.000 1.202 95 Y CB 0.095 37.803 38.460 -1.253 0.000 0.990 95 Y HN -0.020 nan 8.280 nan 0.000 0.537 96 L N -0.800 120.087 121.223 -0.560 0.000 2.354 96 L HA 0.088 4.428 4.340 -0.000 0.000 0.212 96 L C 0.138 176.804 176.870 -0.339 0.000 1.091 96 L CA 0.794 55.334 54.840 -0.500 0.000 0.828 96 L CB 0.217 42.005 42.059 -0.450 0.000 0.973 96 L HN 0.057 nan 8.230 nan 0.000 0.461 97 D N -1.002 119.232 120.400 -0.277 0.000 2.668 97 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 97 D C -2.172 174.020 176.300 -0.179 0.000 1.268 97 D CA -1.408 52.507 54.000 -0.143 0.000 0.842 97 D CB 1.308 42.047 40.800 -0.103 0.000 1.399 97 D HN -0.192 nan 8.370 nan 0.000 0.530 98 P HA -0.117 nan 4.420 nan 0.000 0.215 98 P C 1.159 178.112 177.300 -0.580 0.000 1.157 98 P CA 1.734 64.605 63.100 -0.381 0.000 0.874 98 P CB 0.442 32.084 31.700 -0.096 0.000 0.790 99 A N -0.342 122.255 122.820 -0.371 0.000 1.840 99 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 99 A C 2.531 179.898 177.584 -0.362 0.000 1.198 99 A CA 1.904 53.633 52.037 -0.512 0.000 0.608 99 A CB -1.896 16.931 19.000 -0.288 0.000 0.839 99 A HN 0.243 nan 8.150 nan 0.000 0.443 100 G N -0.362 108.286 108.800 -0.252 0.000 2.442 100 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.219 100 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.219 100 G C 1.679 176.440 174.900 -0.230 0.000 1.141 100 G CA 1.567 46.540 45.100 -0.211 0.000 0.763 100 G HN 0.853 nan 8.290 nan 0.000 0.554 101 A N 0.085 122.743 122.820 -0.271 0.000 1.978 101 A HA -0.012 4.308 4.320 -0.000 0.000 0.220 101 A C 2.512 179.905 177.584 -0.318 0.000 1.170 101 A CA 2.434 54.284 52.037 -0.311 0.000 0.636 101 A CB -0.665 18.140 19.000 -0.324 0.000 0.810 101 A HN 0.325 nan 8.150 nan 0.000 0.448 102 T N -0.226 114.133 114.554 -0.325 0.000 2.770 102 T HA -0.072 4.278 4.350 -0.000 0.000 0.258 102 T C 1.750 176.354 174.700 -0.159 0.000 1.039 102 T CA 1.370 63.321 62.100 -0.247 0.000 1.143 102 T CB -0.256 68.472 68.868 -0.233 0.000 0.866 102 T HN 0.654 nan 8.240 nan 0.000 0.428 103 E N 1.706 121.816 120.200 -0.149 0.000 2.160 103 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 103 E C 2.236 178.774 176.600 -0.103 0.000 0.991 103 E CA 1.474 57.813 56.400 -0.102 0.000 0.810 103 E CB -0.146 29.495 29.700 -0.097 0.000 0.742 103 E HN 0.544 nan 8.360 nan 0.000 0.466 104 S N -0.148 115.468 115.700 -0.140 0.000 2.593 104 S HA 0.353 4.823 4.470 -0.000 0.000 0.217 104 S C 1.139 175.646 174.600 -0.154 0.000 0.966 104 S CA 0.185 58.299 58.200 -0.142 0.000 0.914 104 S CB 0.449 63.541 63.200 -0.180 0.000 0.776 104 S HN 0.296 nan 8.310 nan 0.000 0.523 105 A N 1.119 123.853 122.820 -0.144 0.000 2.791 105 A HA -0.212 4.108 4.320 -0.000 0.000 0.292 105 A C 1.321 178.815 177.584 -0.149 0.000 1.487 105 A CA 1.137 53.103 52.037 -0.119 0.000 0.760 105 A CB -2.302 16.652 19.000 -0.077 0.000 1.031 105 A HN 0.648 nan 8.150 nan 0.000 0.503 106 R N -0.724 119.637 120.500 -0.231 0.000 2.365 106 R HA 0.335 4.675 4.340 -0.000 0.000 0.223 106 R C 0.963 177.165 176.300 -0.163 0.000 0.899 106 R CA 0.625 56.555 56.100 -0.284 0.000 1.059 106 R CB 0.449 30.354 30.300 -0.658 0.000 1.086 106 R HN 0.936 nan 8.270 nan 0.000 0.522 107 A N 2.269 124.969 122.820 -0.201 0.000 2.457 107 A HA 0.349 4.669 4.320 -0.000 0.000 0.298 107 A C 0.349 177.949 177.584 0.026 0.000 1.288 107 A CA -0.231 51.643 52.037 -0.272 0.000 0.956 107 A CB -0.215 18.423 19.000 -0.602 0.000 1.135 107 A HN 0.101 nan 8.150 nan 0.000 0.535 108 V N 0.369 120.405 119.914 0.203 0.000 3.141 108 V HA 1.001 5.121 4.120 -0.000 0.000 0.312 108 V C 0.676 176.972 176.094 0.337 0.000 1.157 108 V CA -0.155 62.302 62.300 0.261 0.000 1.041 108 V CB 0.742 32.655 31.823 0.150 0.000 1.071 108 V HN 2.499 nan 8.190 nan 0.000 0.441 109 G N 1.366 110.285 108.800 0.198 0.000 2.641 109 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.254 109 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.254 109 G C -0.175 174.749 174.900 0.040 0.000 1.315 109 G CA 0.385 45.557 45.100 0.119 0.000 0.907 109 G HN 1.250 nan 8.290 nan 0.000 0.572 110 E N 1.114 121.314 120.200 0.000 0.000 2.028 110 E HA 0.269 4.619 4.350 -0.000 0.000 0.275 110 E C 0.857 177.446 176.600 -0.019 0.000 1.171 110 E CA 0.009 56.347 56.400 -0.104 0.000 1.186 110 E CB -0.242 29.434 29.700 -0.039 0.000 1.256 110 E HN 0.638 nan 8.360 nan 0.000 0.474 111 Y N 0.000 120.397 120.300 0.161 0.000 2.639 111 Y HA -0.065 4.485 4.550 -0.000 0.000 0.297 111 Y C 1.524 177.661 175.900 0.396 0.000 1.151 111 Y CA 0.354 58.602 58.100 0.247 0.000 1.335 111 Y CB -0.352 38.213 38.460 0.174 0.000 0.994 111 Y HN 0.108 nan 8.280 nan 0.000 0.548 112 S N -1.425 114.454 115.700 0.300 0.000 2.582 112 S HA 0.299 4.769 4.470 -0.000 0.000 0.234 112 S C 0.137 174.808 174.600 0.118 0.000 0.961 112 S CA -0.707 57.706 58.200 0.355 0.000 0.953 112 S CB 0.030 63.279 63.200 0.081 0.000 0.800 112 S HN 0.322 nan 8.310 nan 0.000 0.471 113 K N 1.005 121.453 120.400 0.078 0.000 2.267 113 K HA 0.610 4.930 4.320 -0.000 0.000 0.246 113 K C -1.017 175.411 176.600 -0.286 0.000 0.954 113 K CA -0.728 55.502 56.287 -0.095 0.000 0.824 113 K CB 1.675 34.122 32.500 -0.089 0.000 1.167 113 K HN 0.174 nan 8.250 nan 0.000 0.431 114 I N 2.939 123.209 120.570 -0.499 0.000 2.377 114 I HA 0.231 4.401 4.170 -0.000 0.000 0.293 114 I C -2.076 173.673 176.117 -0.613 0.000 0.987 114 I CA -2.530 58.192 61.300 -0.963 0.000 1.185 114 I CB 1.733 39.061 38.000 -1.120 0.000 1.341 114 I HN 0.267 nan 8.210 nan 0.000 0.455 115 P HA 0.051 nan 4.420 nan 0.000 0.235 115 P C -0.326 176.809 177.300 -0.274 0.000 1.720 115 P CA 0.421 63.333 63.100 -0.313 0.000 1.003 115 P CB 0.054 31.619 31.700 -0.225 0.000 1.968 116 D N 0.957 121.203 120.400 -0.257 0.000 2.197 116 D HA 0.100 4.740 4.640 -0.000 0.000 0.212 116 D C 1.593 177.840 176.300 -0.089 0.000 0.963 116 D CA 1.399 55.297 54.000 -0.169 0.000 0.864 116 D CB -0.266 40.432 40.800 -0.170 0.000 1.009 116 D HN 0.186 nan 8.370 nan 0.000 0.479 117 G N 0.575 109.328 108.800 -0.077 0.000 2.204 117 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 117 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 117 G C 0.499 175.381 174.900 -0.031 0.000 1.062 117 G CA 0.580 45.661 45.100 -0.032 0.000 0.798 117 G HN 0.357 nan 8.290 nan 0.000 0.496 118 L N -0.644 120.547 121.223 -0.053 0.000 2.416 118 L HA 0.423 4.763 4.340 -0.000 0.000 0.188 118 L C 1.709 178.545 176.870 -0.057 0.000 1.145 118 L CA 1.207 56.016 54.840 -0.051 0.000 0.826 118 L CB 0.064 42.084 42.059 -0.065 0.000 1.064 118 L HN 0.458 nan 8.230 nan 0.000 0.490 119 V N -2.173 117.691 119.914 -0.083 0.000 2.644 119 V HA 0.233 4.353 4.120 -0.000 0.000 0.295 119 V C 0.957 177.010 176.094 -0.068 0.000 1.053 119 V CA -0.620 61.610 62.300 -0.117 0.000 0.987 119 V CB 1.346 33.052 31.823 -0.195 0.000 1.006 119 V HN 0.302 nan 8.190 nan 0.000 0.472 120 K N 2.613 122.984 120.400 -0.048 0.000 2.155 120 K HA 0.182 4.502 4.320 -0.000 0.000 0.203 120 K C 0.028 176.756 176.600 0.214 0.000 1.052 120 K CA 1.556 57.904 56.287 0.101 0.000 0.948 120 K CB -0.012 32.611 32.500 0.205 0.000 0.728 120 K HN 0.844 nan 8.250 nan 0.000 0.448 121 F N -1.780 118.182 119.950 0.021 0.000 2.719 121 F HA 0.467 4.994 4.527 -0.000 0.000 0.309 121 F C -1.167 174.646 175.800 0.021 0.000 1.138 121 F CA -1.225 56.792 58.000 0.028 0.000 0.943 121 F CB 1.202 40.221 39.000 0.031 0.000 1.304 121 F HN -0.156 nan 8.300 nan 0.000 0.445 122 S N 1.178 116.926 115.700 0.079 0.000 2.595 122 S HA 0.697 5.167 4.470 -0.000 0.000 0.270 122 S C -2.409 172.210 174.600 0.032 0.000 1.145 122 S CA -0.581 57.599 58.200 -0.033 0.000 0.825 122 S CB 1.308 64.440 63.200 -0.114 0.000 1.107 122 S HN 1.794 nan 8.310 nan 0.000 0.461 123 V N 2.184 122.086 119.914 -0.019 0.000 2.459 123 V HA 0.770 4.890 4.120 -0.000 0.000 0.295 123 V C -1.640 174.212 176.094 -0.404 0.000 1.029 123 V CA -0.175 62.045 62.300 -0.133 0.000 0.874 123 V CB 1.266 33.083 31.823 -0.010 0.000 0.985 123 V HN 1.108 nan 8.190 nan 0.000 0.438 124 D N 5.601 125.702 120.400 -0.498 0.000 2.645 124 D HA 0.813 5.453 4.640 -0.000 0.000 0.228 124 D C -0.762 175.082 176.300 -0.759 0.000 1.148 124 D CA -0.423 53.157 54.000 -0.700 0.000 0.860 124 D CB 2.435 43.014 40.800 -0.368 0.000 1.548 124 D HN 0.933 nan 8.370 nan 0.000 0.460 125 A N 0.663 122.905 122.820 -0.963 0.000 2.586 125 A HA 0.577 4.897 4.320 -0.000 0.000 0.290 125 A C -1.603 175.768 177.584 -0.355 0.000 1.086 125 A CA -0.855 50.830 52.037 -0.587 0.000 0.665 125 A CB 1.859 20.541 19.000 -0.531 0.000 1.279 125 A HN 0.619 nan 8.150 nan 0.000 0.423 126 E N 0.834 121.002 120.200 -0.053 0.000 2.176 126 E HA 0.617 4.966 4.350 -0.000 0.000 0.267 126 E C -1.393 175.304 176.600 0.161 0.000 0.893 126 E CA -0.453 56.029 56.400 0.136 0.000 0.761 126 E CB 1.002 30.922 29.700 0.366 0.000 1.133 126 E HN 0.535 nan 8.360 nan 0.000 0.409 127 I N 3.908 124.585 120.570 0.178 0.000 2.428 127 I HA 0.394 4.564 4.170 -0.000 0.000 0.296 127 I C 0.126 176.278 176.117 0.057 0.000 0.985 127 I CA -0.625 60.745 61.300 0.116 0.000 1.260 127 I CB 1.357 39.411 38.000 0.090 0.000 1.389 127 I HN 0.391 nan 8.210 nan 0.000 0.484 128 R N 4.867 125.353 120.500 -0.024 0.000 2.476 128 R HA 0.435 4.775 4.340 -0.000 0.000 0.305 128 R C -1.278 174.926 176.300 -0.160 0.000 0.965 128 R CA -0.706 55.294 56.100 -0.167 0.000 0.867 128 R CB 1.915 32.093 30.300 -0.204 0.000 1.176 128 R HN 0.465 nan 8.270 nan 0.000 0.447 129 E N 4.242 124.333 120.200 -0.182 0.000 2.241 129 E HA 0.345 4.695 4.350 -0.000 0.000 0.263 129 E C -0.574 175.859 176.600 -0.278 0.000 0.882 129 E CA -0.609 55.643 56.400 -0.246 0.000 0.769 129 E CB 2.499 32.119 29.700 -0.133 0.000 1.185 129 E HN 0.397 nan 8.360 nan 0.000 0.415 130 I N 3.214 123.550 120.570 -0.389 0.000 2.377 130 I HA 0.395 4.565 4.170 -0.000 0.000 0.293 130 I C -0.518 175.373 176.117 -0.376 0.000 0.987 130 I CA -0.586 60.564 61.300 -0.250 0.000 1.185 130 I CB 0.574 38.472 38.000 -0.170 0.000 1.341 130 I HN 0.457 nan 8.210 nan 0.000 0.455 131 Y N 3.595 123.923 120.300 0.045 0.000 2.492 131 Y HA 0.278 4.828 4.550 -0.000 0.000 0.346 131 Y C 0.030 175.963 175.900 0.055 0.000 0.997 131 Y CA -0.913 57.219 58.100 0.053 0.000 1.025 131 Y CB 2.254 40.773 38.460 0.098 0.000 1.263 131 Y HN 0.521 nan 8.280 nan 0.000 0.454 132 N N 2.226 121.060 118.700 0.222 0.000 2.444 132 N HA 0.190 4.930 4.740 -0.000 0.000 0.262 132 N C -1.504 174.104 175.510 0.164 0.000 0.974 132 N CA -0.419 52.719 53.050 0.147 0.000 0.933 132 N CB 0.776 39.319 38.487 0.094 0.000 1.137 132 N HN 0.420 nan 8.380 nan 0.000 0.498 133 E N 2.395 122.719 120.200 0.205 0.000 2.042 133 E HA 0.128 4.478 4.350 -0.000 0.000 0.260 133 E C -0.507 176.336 176.600 0.404 0.000 0.975 133 E CA -0.493 56.100 56.400 0.321 0.000 0.799 133 E CB 0.419 30.357 29.700 0.397 0.000 1.131 133 E HN 0.659 nan 8.360 nan 0.000 0.423 134 E N 0.287 120.663 120.200 0.293 0.000 2.318 134 E HA 0.176 4.526 4.350 -0.000 0.000 0.265 134 E C -0.091 176.344 176.600 -0.275 0.000 1.069 134 E CA -0.857 55.577 56.400 0.057 0.000 0.893 134 E CB 0.593 30.294 29.700 0.001 0.000 1.076 134 E HN 0.284 nan 8.360 nan 0.000 0.414 135 C N 2.946 121.669 119.300 -0.961 0.000 2.629 135 C HA 0.264 4.724 4.460 -0.000 0.000 0.410 135 C C -2.052 172.374 174.990 -0.941 0.000 1.339 135 C CA -1.472 56.545 59.018 -1.668 0.000 1.810 135 C CB -0.860 25.688 27.740 -1.987 0.000 2.549 135 C HN 0.532 nan 8.230 nan 0.000 0.589 136 P HA 0.042 nan 4.420 nan 0.000 0.256 136 P C -0.338 176.565 177.300 -0.662 0.000 1.173 136 P CA 0.797 63.300 63.100 -0.994 0.000 0.768 136 P CB 0.230 30.887 31.700 -1.738 0.000 0.758 137 T N 3.524 117.828 114.554 -0.416 0.000 2.776 137 T HA 0.111 4.461 4.350 -0.000 0.000 0.292 137 T C 1.386 175.943 174.700 -0.238 0.000 0.921 137 T CA -0.214 61.714 62.100 -0.287 0.000 1.038 137 T CB -0.037 68.716 68.868 -0.192 0.000 0.910 137 T HN 0.068 nan 8.240 nan 0.000 0.536 138 V N 2.390 122.171 119.914 -0.222 0.000 3.630 138 V HA 0.146 4.266 4.120 -0.000 0.000 0.273 138 V C 1.215 177.266 176.094 -0.071 0.000 1.248 138 V CA 0.409 62.634 62.300 -0.125 0.000 1.170 138 V CB -1.916 29.863 31.823 -0.073 0.000 0.899 138 V HN 0.989 nan 8.190 nan 0.000 0.457 139 S N -1.451 114.201 115.700 -0.080 0.000 3.600 139 S HA 0.055 4.525 4.470 -0.000 0.000 0.281 139 S C -0.426 174.142 174.600 -0.054 0.000 1.197 139 S CA 0.106 58.273 58.200 -0.054 0.000 1.661 139 S CB 0.515 63.691 63.200 -0.041 0.000 1.510 139 S HN 0.117 nan 8.310 nan 0.000 0.310 140 D N 1.418 121.792 120.400 -0.043 0.000 2.500 140 D HA 0.472 5.112 4.640 -0.000 0.000 0.217 140 D C 0.602 176.879 176.300 -0.039 0.000 1.159 140 D CA 0.565 54.542 54.000 -0.038 0.000 0.828 140 D CB 0.995 41.779 40.800 -0.027 0.000 1.039 140 D HN 0.821 nan 8.370 nan 0.000 0.512 141 A N 1.805 124.598 122.820 -0.043 0.000 2.545 141 A HA 0.243 4.563 4.320 -0.000 0.000 0.253 141 A C 0.991 178.546 177.584 -0.047 0.000 1.074 141 A CA -0.076 51.935 52.037 -0.042 0.000 0.760 141 A CB -0.049 18.924 19.000 -0.046 0.000 1.005 141 A HN 0.153 nan 8.150 nan 0.000 0.506 142 S N 2.424 118.100 115.700 -0.039 0.000 2.563 142 S HA 0.322 4.792 4.470 -0.000 0.000 0.284 142 S C -0.068 174.505 174.600 -0.045 0.000 1.331 142 S CA -0.066 58.111 58.200 -0.039 0.000 1.047 142 S CB 0.093 63.275 63.200 -0.029 0.000 0.859 142 S HN 0.510 nan 8.310 nan 0.000 0.514 143 I N 2.872 123.413 120.570 -0.049 0.000 2.388 143 I HA 0.296 4.466 4.170 -0.000 0.000 0.281 143 I C -2.263 173.832 176.117 -0.038 0.000 1.046 143 I CA -2.108 59.160 61.300 -0.054 0.000 1.187 143 I CB 0.608 38.562 38.000 -0.076 0.000 1.351 143 I HN 0.474 nan 8.210 nan 0.000 0.472 144 P HA 0.005 nan 4.420 nan 0.000 0.266 144 P C 0.569 177.863 177.300 -0.011 0.000 1.195 144 P CA -0.412 62.678 63.100 -0.017 0.000 0.768 144 P CB 0.976 32.668 31.700 -0.013 0.000 0.838 145 L N 1.966 123.186 121.223 -0.006 0.000 2.156 145 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 145 L C 0.412 177.288 176.870 0.011 0.000 1.095 145 L CA 1.649 56.491 54.840 0.002 0.000 0.770 145 L CB -0.699 41.363 42.059 0.004 0.000 0.914 145 L HN 0.339 nan 8.230 nan 0.000 0.439 146 D N -0.840 119.565 120.400 0.009 0.000 2.373 146 D HA 0.476 5.116 4.640 -0.000 0.000 0.227 146 D C 0.853 177.160 176.300 0.011 0.000 1.091 146 D CA 0.448 54.456 54.000 0.013 0.000 0.840 146 D CB 0.730 41.537 40.800 0.011 0.000 1.060 146 D HN 0.309 nan 8.370 nan 0.000 0.502 147 G N 2.879 111.689 108.800 0.018 0.000 2.436 147 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.204 147 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.204 147 G C 0.461 175.371 174.900 0.017 0.000 1.026 147 G CA -0.051 45.058 45.100 0.014 0.000 0.658 147 G HN 0.970 nan 8.290 nan 0.000 0.499 148 A N 1.203 124.032 122.820 0.014 0.000 2.438 148 A HA 0.654 4.974 4.320 -0.000 0.000 0.280 148 A C 0.397 178.016 177.584 0.057 0.000 1.160 148 A CA 0.787 52.831 52.037 0.013 0.000 0.821 148 A CB 0.033 19.024 19.000 -0.015 0.000 1.101 148 A HN 0.573 nan 8.150 nan 0.000 0.515 149 Q N 1.597 121.444 119.800 0.078 0.000 2.528 149 Q HA 0.720 5.060 4.340 -0.000 0.000 0.289 149 Q C -0.846 175.298 176.000 0.240 0.000 1.091 149 Q CA -0.815 55.087 55.803 0.165 0.000 0.797 149 Q CB 2.413 31.209 28.738 0.096 0.000 1.466 149 Q HN 0.916 nan 8.270 nan 0.000 0.436 150 W N -1.100 120.158 121.300 -0.070 0.000 2.988 150 W HA 0.745 5.405 4.660 -0.000 0.000 0.355 150 W C -1.755 174.728 176.519 -0.061 0.000 1.233 150 W CA -1.026 56.253 57.345 -0.110 0.000 1.176 150 W CB 0.688 30.055 29.460 -0.155 0.000 1.477 150 W HN 0.513 nan 8.180 nan 0.000 0.582 151 S N 1.138 116.732 115.700 -0.176 0.000 2.542 151 S HA 0.758 5.228 4.470 -0.000 0.000 0.293 151 S C -1.435 172.980 174.600 -0.307 0.000 1.089 151 S CA -0.584 57.440 58.200 -0.294 0.000 0.961 151 S CB 2.188 65.312 63.200 -0.128 0.000 1.062 151 S HN 0.450 nan 8.310 nan 0.000 0.483 152 L N 1.770 122.844 121.223 -0.249 0.000 2.409 152 L HA 0.805 5.145 4.340 -0.000 0.000 0.262 152 L C -1.197 175.833 176.870 0.267 0.000 0.992 152 L CA 0.054 54.861 54.840 -0.056 0.000 0.817 152 L CB 2.223 44.047 42.059 -0.390 0.000 1.350 152 L HN 0.628 nan 8.230 nan 0.000 0.411 153 S N 4.301 120.208 115.700 0.346 0.000 2.571 153 S HA 0.737 5.207 4.470 -0.000 0.000 0.284 153 S C -1.054 173.715 174.600 0.282 0.000 1.128 153 S CA -0.327 58.099 58.200 0.377 0.000 0.970 153 S CB 1.499 65.003 63.200 0.506 0.000 1.039 153 S HN 0.418 nan 8.310 nan 0.000 0.485 154 I N 2.905 123.564 120.570 0.148 0.000 2.377 154 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 154 I C -0.620 175.513 176.117 0.027 0.000 0.987 154 I CA -0.405 60.946 61.300 0.085 0.000 1.185 154 I CB 1.229 39.173 38.000 -0.094 0.000 1.341 154 I HN 0.569 nan 8.210 nan 0.000 0.455 155 I N 4.775 125.432 120.570 0.144 0.000 2.411 155 I HA 0.295 4.464 4.170 -0.000 0.000 0.284 155 I C -0.153 176.007 176.117 0.072 0.000 1.012 155 I CA -0.412 60.946 61.300 0.097 0.000 1.119 155 I CB 1.518 39.681 38.000 0.270 0.000 1.261 155 I HN 0.429 nan 8.210 nan 0.000 0.448 156 S N 6.546 122.234 115.700 -0.019 0.000 2.461 156 S HA 0.502 4.972 4.470 -0.000 0.000 0.322 156 S C -0.894 173.751 174.600 0.075 0.000 1.063 156 S CA -0.253 57.992 58.200 0.076 0.000 1.120 156 S CB 0.126 63.437 63.200 0.185 0.000 0.968 156 S HN 0.357 nan 8.310 nan 0.000 0.467 157 Y N 4.770 125.129 120.300 0.098 0.000 2.387 157 Y HA 0.433 4.983 4.550 -0.000 0.000 0.330 157 Y C -1.807 174.134 175.900 0.068 0.000 1.133 157 Y CA -2.226 55.962 58.100 0.146 0.000 1.152 157 Y CB 1.455 40.020 38.460 0.174 0.000 1.215 157 Y HN 0.504 nan 8.280 nan 0.000 0.466 158 P HA 0.129 nan 4.420 nan 0.000 0.252 158 P C -1.002 176.411 177.300 0.189 0.000 1.727 158 P CA 0.441 63.609 63.100 0.113 0.000 1.134 158 P CB -0.115 31.667 31.700 0.136 0.000 1.876 159 M N 1.685 121.373 119.600 0.146 0.000 2.644 159 M HA 0.325 4.804 4.480 -0.000 0.000 0.316 159 M C 0.977 177.348 176.300 0.119 0.000 1.200 159 M CA -0.982 54.409 55.300 0.152 0.000 0.944 159 M CB 1.530 34.183 32.600 0.089 0.000 1.691 159 M HN -0.012 nan 8.290 nan 0.000 0.471 160 F N 0.776 120.666 119.950 -0.099 0.000 2.293 160 F HA 0.081 4.608 4.527 -0.000 0.000 0.297 160 F C 1.849 177.482 175.800 -0.279 0.000 1.089 160 F CA 1.752 59.529 58.000 -0.370 0.000 1.377 160 F CB 0.131 38.687 39.000 -0.741 0.000 1.051 160 F HN 0.463 nan 8.300 nan 0.000 0.511 161 R N -1.516 118.905 120.500 -0.133 0.000 2.369 161 R HA 0.196 4.536 4.340 -0.000 0.000 0.210 161 R C -0.059 176.234 176.300 -0.011 0.000 0.881 161 R CA 0.355 56.401 56.100 -0.090 0.000 1.031 161 R CB 0.564 30.980 30.300 0.193 0.000 1.184 161 R HN 0.023 nan 8.270 nan 0.000 0.581 162 T N -0.219 114.334 114.554 -0.003 0.000 2.867 162 T HA 0.424 4.774 4.350 -0.000 0.000 0.282 162 T C 0.640 175.266 174.700 -0.122 0.000 1.000 162 T CA -0.353 61.711 62.100 -0.060 0.000 1.042 162 T CB 1.972 70.823 68.868 -0.030 0.000 0.973 162 T HN 0.137 nan 8.240 nan 0.000 0.465 163 A N 2.568 125.269 122.820 -0.198 0.000 1.862 163 A HA 0.481 4.801 4.320 -0.000 0.000 0.211 163 A C 0.173 177.748 177.584 -0.015 0.000 1.220 163 A CA 0.859 52.842 52.037 -0.089 0.000 0.616 163 A CB -0.196 18.749 19.000 -0.091 0.000 0.878 163 A HN 0.940 nan 8.150 nan 0.000 0.453 164 Y N -5.167 114.973 120.300 -0.267 0.000 2.852 164 Y HA 0.641 5.191 4.550 -0.000 0.000 0.350 164 Y C -1.576 174.073 175.900 -0.417 0.000 1.272 164 Y CA -2.623 55.267 58.100 -0.350 0.000 1.086 164 Y CB 0.116 38.505 38.460 -0.120 0.000 1.408 164 Y HN -0.026 nan 8.280 nan 0.000 0.447 165 F N 1.312 121.450 119.950 0.313 0.000 2.480 165 F HA 0.876 5.403 4.527 -0.000 0.000 0.329 165 F C 0.013 176.007 175.800 0.323 0.000 1.091 165 F CA -1.143 56.974 58.000 0.195 0.000 0.972 165 F CB 2.238 41.306 39.000 0.112 0.000 1.150 165 F HN 0.827 nan 8.300 nan 0.000 0.467 166 A N 2.650 125.765 122.820 0.492 0.000 2.311 166 A HA 0.765 5.085 4.320 -0.000 0.000 0.306 166 A C -1.468 176.484 177.584 0.613 0.000 1.189 166 A CA -0.640 51.711 52.037 0.523 0.000 0.791 166 A CB 0.814 20.105 19.000 0.486 0.000 1.172 166 A HN 0.525 nan 8.150 nan 0.000 0.481 167 V N 1.921 122.158 119.914 0.537 0.000 2.417 167 V HA 0.779 4.899 4.120 -0.000 0.000 0.291 167 V C 0.366 176.796 176.094 0.560 0.000 1.024 167 V CA -0.069 62.563 62.300 0.552 0.000 0.861 167 V CB 1.268 33.323 31.823 0.387 0.000 0.985 167 V HN 1.236 nan 8.190 nan 0.000 0.436 168 A N 4.150 127.278 122.820 0.513 0.000 2.454 168 A HA 0.787 5.107 4.320 -0.000 0.000 0.302 168 A C -0.802 176.825 177.584 0.072 0.000 1.079 168 A CA -0.738 51.456 52.037 0.263 0.000 0.731 168 A CB 1.735 20.793 19.000 0.097 0.000 1.299 168 A HN 0.692 nan 8.150 nan 0.000 0.413 169 N N 2.027 120.600 118.700 -0.210 0.000 2.399 169 N HA 0.267 5.007 4.740 -0.000 0.000 0.284 169 N C 0.268 175.618 175.510 -0.266 0.000 1.025 169 N CA -0.380 52.272 53.050 -0.663 0.000 0.885 169 N CB 2.007 39.599 38.487 -1.491 0.000 1.339 169 N HN 0.216 nan 8.380 nan 0.000 0.487 170 V N 2.388 122.169 119.914 -0.222 0.000 2.626 170 V HA -0.103 4.017 4.120 -0.000 0.000 0.252 170 V C 0.895 176.918 176.094 -0.119 0.000 1.067 170 V CA 1.380 63.591 62.300 -0.148 0.000 1.081 170 V CB -0.229 31.510 31.823 -0.140 0.000 0.686 170 V HN 0.625 nan 8.190 nan 0.000 0.468 171 D N -0.239 120.056 120.400 -0.174 0.000 2.340 171 D HA 0.080 4.720 4.640 -0.000 0.000 0.217 171 D C 0.867 177.106 176.300 -0.103 0.000 1.081 171 D CA 0.075 54.002 54.000 -0.121 0.000 0.842 171 D CB -0.392 40.334 40.800 -0.123 0.000 0.934 171 D HN 0.428 nan 8.370 nan 0.000 0.511 172 N N 0.986 119.618 118.700 -0.112 0.000 2.740 172 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 172 N C -0.832 174.616 175.510 -0.103 0.000 1.062 172 N CA 0.600 53.599 53.050 -0.086 0.000 0.704 172 N CB -0.945 37.529 38.487 -0.022 0.000 0.968 172 N HN 0.216 nan 8.380 nan 0.000 0.547 173 K N 0.011 120.319 120.400 -0.152 0.000 2.106 173 K HA 0.304 4.624 4.320 -0.000 0.000 0.246 173 K C 0.125 176.769 176.600 0.074 0.000 0.987 173 K CA -0.850 55.410 56.287 -0.044 0.000 0.904 173 K CB 0.785 33.282 32.500 -0.005 0.000 1.071 173 K HN 0.127 nan 8.250 nan 0.000 0.453 174 E N 1.507 121.779 120.200 0.121 0.000 2.331 174 E HA 0.096 4.446 4.350 -0.000 0.000 0.272 174 E C -0.158 176.638 176.600 0.327 0.000 1.036 174 E CA -0.233 56.254 56.400 0.145 0.000 0.864 174 E CB 1.150 30.877 29.700 0.044 0.000 1.035 174 E HN 0.418 nan 8.360 nan 0.000 0.408 175 I N 1.967 122.701 120.570 0.274 0.000 2.696 175 I HA -0.054 4.116 4.170 -0.000 0.000 0.284 175 I C 0.536 176.621 176.117 -0.052 0.000 1.129 175 I CA 0.262 61.558 61.300 -0.006 0.000 1.410 175 I CB 0.564 38.371 38.000 -0.322 0.000 1.399 175 I HN 0.477 nan 8.210 nan 0.000 0.579 176 S N 6.542 122.171 115.700 -0.118 0.000 2.747 176 S HA 0.315 4.785 4.470 -0.000 0.000 0.300 176 S C 0.849 175.398 174.600 -0.086 0.000 1.121 176 S CA -0.886 57.276 58.200 -0.062 0.000 0.995 176 S CB 1.541 64.729 63.200 -0.019 0.000 1.113 176 S HN 0.769 nan 8.310 nan 0.000 0.547 177 L N 0.363 121.561 121.223 -0.041 0.000 2.017 177 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 177 L C 1.671 178.530 176.870 -0.019 0.000 1.073 177 L CA 2.077 56.902 54.840 -0.024 0.000 0.745 177 L CB -0.793 41.265 42.059 -0.002 0.000 0.894 177 L HN 0.754 nan 8.230 nan 0.000 0.432 178 D N -0.621 119.768 120.400 -0.019 0.000 2.117 178 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 178 D C 2.220 178.503 176.300 -0.029 0.000 0.982 178 D CA 1.221 55.218 54.000 -0.005 0.000 0.828 178 D CB -0.029 40.770 40.800 -0.002 0.000 0.967 178 D HN 0.249 nan 8.370 nan 0.000 0.464 179 V N 1.250 121.098 119.914 -0.110 0.000 2.490 179 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 179 V C 2.525 178.545 176.094 -0.123 0.000 1.061 179 V CA 1.619 63.794 62.300 -0.208 0.000 1.064 179 V CB -0.707 30.776 31.823 -0.568 0.000 0.670 179 V HN 0.198 nan 8.190 nan 0.000 0.461 180 T N 0.238 114.702 114.554 -0.149 0.000 2.708 180 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 180 T C 1.722 176.385 174.700 -0.061 0.000 1.037 180 T CA 2.073 64.093 62.100 -0.134 0.000 1.146 180 T CB -0.467 68.334 68.868 -0.111 0.000 0.865 180 T HN 0.606 nan 8.240 nan 0.000 0.435 181 N N 0.713 119.429 118.700 0.026 0.000 2.223 181 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 181 N C 1.463 177.064 175.510 0.152 0.000 1.016 181 N CA 0.891 54.023 53.050 0.138 0.000 0.863 181 N CB -0.049 38.564 38.487 0.211 0.000 0.983 181 N HN 0.283 nan 8.380 nan 0.000 0.429 182 D N 0.894 121.381 120.400 0.144 0.000 2.117 182 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 182 D C 1.970 178.447 176.300 0.295 0.000 0.987 182 D CA 0.617 54.759 54.000 0.236 0.000 0.829 182 D CB -0.274 40.659 40.800 0.222 0.000 0.961 182 D HN 0.149 nan 8.370 nan 0.000 0.460 183 L N 1.014 122.306 121.223 0.115 0.000 2.017 183 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 183 L C 2.159 178.931 176.870 -0.162 0.000 1.073 183 L CA 1.336 55.963 54.840 -0.355 0.000 0.745 183 L CB -0.612 40.980 42.059 -0.778 0.000 0.894 183 L HN -0.008 nan 8.230 nan 0.000 0.432 184 I N -1.527 118.940 120.570 -0.172 0.000 2.179 184 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 184 I C 2.350 178.417 176.117 -0.083 0.000 1.088 184 I CA 1.345 62.491 61.300 -0.257 0.000 1.357 184 I CB -0.499 37.097 38.000 -0.673 0.000 1.051 184 I HN 0.090 nan 8.210 nan 0.000 0.409 185 V N -0.134 119.841 119.914 0.101 0.000 2.343 185 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 185 V C 2.150 178.358 176.094 0.190 0.000 1.051 185 V CA 2.023 64.454 62.300 0.219 0.000 1.036 185 V CB -0.765 31.227 31.823 0.281 0.000 0.654 185 V HN 0.587 nan 8.190 nan 0.000 0.451 186 W N 0.426 121.751 121.300 0.041 0.000 2.333 186 W HA -0.195 4.465 4.660 -0.000 0.000 0.316 186 W C 2.243 178.755 176.519 -0.011 0.000 1.215 186 W CA 1.911 59.282 57.345 0.043 0.000 1.278 186 W CB -0.285 29.224 29.460 0.081 0.000 1.154 186 W HN 0.132 nan 8.180 nan 0.000 0.486 187 L N 0.379 121.712 121.223 0.184 0.000 2.027 187 L HA -0.251 4.089 4.340 -0.000 0.000 0.206 187 L C 2.148 178.989 176.870 -0.048 0.000 1.074 187 L CA 1.529 56.388 54.840 0.031 0.000 0.745 187 L CB -1.079 41.013 42.059 0.055 0.000 0.898 187 L HN -0.019 nan 8.230 nan 0.000 0.433 188 N N 0.142 118.834 118.700 -0.013 0.000 2.289 188 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 188 N C 1.018 176.482 175.510 -0.076 0.000 1.016 188 N CA 0.987 54.002 53.050 -0.059 0.000 0.872 188 N CB -0.216 38.264 38.487 -0.012 0.000 0.973 188 N HN 0.346 nan 8.380 nan 0.000 0.433 189 N N 0.086 118.739 118.700 -0.077 0.000 2.204 189 N HA 0.050 4.790 4.740 -0.000 0.000 0.219 189 N C -0.433 174.984 175.510 -0.155 0.000 1.151 189 N CA -0.300 52.701 53.050 -0.082 0.000 0.867 189 N CB 0.548 39.022 38.487 -0.023 0.000 1.043 189 N HN 0.087 nan 8.380 nan 0.000 0.516 190 L N 2.078 123.145 121.223 -0.260 0.000 2.737 190 L HA -0.072 4.268 4.340 -0.000 0.000 0.275 190 L C 1.535 178.308 176.870 -0.161 0.000 1.179 190 L CA 0.036 54.663 54.840 -0.355 0.000 0.970 190 L CB 0.047 41.872 42.059 -0.390 0.000 1.268 190 L HN 0.181 nan 8.230 nan 0.000 0.485 191 A N 3.286 126.022 122.820 -0.140 0.000 1.933 191 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 191 A C 1.368 178.952 177.584 0.000 0.000 1.175 191 A CA 1.570 53.580 52.037 -0.045 0.000 0.628 191 A CB -0.144 18.830 19.000 -0.043 0.000 0.814 191 A HN 0.709 nan 8.150 nan 0.000 0.444 192 S N -0.685 115.007 115.700 -0.012 0.000 2.488 192 S HA 0.272 4.742 4.470 -0.000 0.000 0.151 192 S C 0.449 175.080 174.600 0.050 0.000 1.401 192 S CA -0.024 58.201 58.200 0.042 0.000 1.221 192 S CB -0.473 62.723 63.200 -0.007 0.000 1.407 192 S HN 0.619 nan 8.310 nan 0.000 0.406 193 W N 4.353 125.589 121.300 -0.107 0.000 2.331 193 W HA -0.157 4.503 4.660 -0.000 0.000 0.291 193 W C 0.990 177.501 176.519 -0.013 0.000 1.214 193 W CA 1.030 58.316 57.345 -0.098 0.000 1.228 193 W CB -0.721 28.707 29.460 -0.053 0.000 1.135 193 W HN 0.586 nan 8.180 nan 0.000 0.537 194 R N 0.482 120.608 120.500 -0.623 0.000 2.115 194 R HA -0.116 4.224 4.340 -0.000 0.000 0.230 194 R C 1.938 178.100 176.300 -0.229 0.000 1.111 194 R CA 1.712 57.461 56.100 -0.585 0.000 0.976 194 R CB -0.388 29.621 30.300 -0.485 0.000 0.870 194 R HN 0.099 nan 8.270 nan 0.000 0.445 195 D N -0.276 120.042 120.400 -0.137 0.000 2.234 195 D HA -0.077 4.563 4.640 -0.000 0.000 0.205 195 D C 1.786 178.074 176.300 -0.020 0.000 0.962 195 D CA 0.873 54.840 54.000 -0.054 0.000 0.855 195 D CB 0.327 41.112 40.800 -0.024 0.000 0.951 195 D HN 0.033 nan 8.370 nan 0.000 0.500 196 V N 0.684 120.544 119.914 -0.091 0.000 2.323 196 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 196 V C 2.661 178.740 176.094 -0.025 0.000 1.041 196 V CA 0.842 63.052 62.300 -0.150 0.000 1.025 196 V CB -0.306 31.306 31.823 -0.352 0.000 0.656 196 V HN 0.022 nan 8.190 nan 0.000 0.451 197 V N 0.381 120.232 119.914 -0.106 0.000 2.295 197 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 197 V C 2.191 178.231 176.094 -0.090 0.000 1.049 197 V CA 2.207 64.411 62.300 -0.159 0.000 1.024 197 V CB -0.692 30.886 31.823 -0.408 0.000 0.648 197 V HN 0.549 nan 8.190 nan 0.000 0.447 198 D N 0.185 120.560 120.400 -0.042 0.000 2.309 198 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 198 D C 2.306 178.634 176.300 0.046 0.000 0.968 198 D CA 1.469 55.484 54.000 0.024 0.000 0.882 198 D CB -0.140 40.676 40.800 0.027 0.000 0.918 198 D HN 0.629 nan 8.370 nan 0.000 0.503 199 S N -0.864 114.890 115.700 0.089 0.000 2.446 199 S HA 0.118 4.588 4.470 -0.000 0.000 0.225 199 S C 1.929 176.583 174.600 0.090 0.000 1.016 199 S CA 0.769 59.042 58.200 0.122 0.000 0.943 199 S CB -0.082 63.270 63.200 0.254 0.000 0.786 199 S HN 0.264 nan 8.310 nan 0.000 0.508 200 G N 1.040 109.886 108.800 0.076 0.000 2.168 200 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 200 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 200 G C -0.054 174.833 174.900 -0.021 0.000 0.997 200 G CA 0.486 45.586 45.100 0.000 0.000 0.708 200 G HN 0.567 nan 8.290 nan 0.000 0.520 201 Q N -1.537 118.318 119.800 0.092 0.000 2.180 201 Q HA 0.564 4.904 4.340 -0.000 0.000 0.241 201 Q C 0.022 176.095 176.000 0.122 0.000 0.970 201 Q CA -0.754 55.063 55.803 0.024 0.000 0.919 201 Q CB 0.797 29.474 28.738 -0.102 0.000 1.222 201 Q HN 0.409 nan 8.270 nan 0.000 0.482 202 W N 0.669 122.002 121.300 0.054 0.000 2.315 202 W HA 0.368 5.028 4.660 -0.000 0.000 0.316 202 W C -0.481 176.168 176.519 0.216 0.000 1.211 202 W CA -0.238 57.221 57.345 0.190 0.000 1.201 202 W CB 0.594 30.063 29.460 0.015 0.000 1.184 202 W HN 0.330 nan 8.180 nan 0.000 0.544 203 F N 1.405 121.673 119.950 0.530 0.000 2.508 203 F HA 0.399 4.926 4.527 -0.000 0.000 0.325 203 F C 0.594 176.470 175.800 0.127 0.000 1.090 203 F CA -0.965 57.229 58.000 0.324 0.000 0.945 203 F CB 1.574 40.727 39.000 0.254 0.000 1.156 203 F HN -0.037 nan 8.300 nan 0.000 0.463 204 T N 4.063 118.646 114.554 0.048 0.000 2.817 204 T HA 0.226 4.576 4.350 -0.000 0.000 0.293 204 T C 0.374 174.897 174.700 -0.296 0.000 0.964 204 T CA -0.176 61.679 62.100 -0.408 0.000 1.085 204 T CB 0.289 68.835 68.868 -0.536 0.000 0.921 204 T HN 0.492 nan 8.240 nan 0.000 0.502 205 F N 0.176 119.866 119.950 -0.433 0.000 2.706 205 F HA 0.613 5.140 4.527 -0.000 0.000 0.313 205 F C 0.623 176.314 175.800 -0.183 0.000 1.096 205 F CA -0.869 56.794 58.000 -0.561 0.000 1.219 205 F CB 0.206 38.640 39.000 -0.944 0.000 1.051 205 F HN 0.435 nan 8.300 nan 0.000 0.568 206 S N 0.250 115.551 115.700 -0.666 0.000 2.638 206 S HA 0.266 4.736 4.470 -0.000 0.000 0.302 206 S C 0.682 175.162 174.600 -0.200 0.000 1.096 206 S CA -0.558 57.405 58.200 -0.396 0.000 0.953 206 S CB 0.959 63.787 63.200 -0.620 0.000 1.107 206 S HN 0.223 nan 8.310 nan 0.000 0.503 207 D N 0.915 121.259 120.400 -0.094 0.000 2.263 207 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 207 D C 0.100 176.362 176.300 -0.064 0.000 0.971 207 D CA 0.884 54.857 54.000 -0.045 0.000 0.867 207 D CB -0.096 40.698 40.800 -0.011 0.000 0.929 207 D HN 0.500 nan 8.370 nan 0.000 0.492 208 D N 1.033 121.382 120.400 -0.085 0.000 2.313 208 D HA 0.055 4.695 4.640 -0.000 0.000 0.239 208 D C -1.582 174.637 176.300 -0.134 0.000 1.142 208 D CA -2.021 51.957 54.000 -0.037 0.000 0.847 208 D CB 2.120 42.986 40.800 0.110 0.000 1.082 208 D HN -0.041 nan 8.370 nan 0.000 0.480 209 P HA -0.061 nan 4.420 nan 0.000 0.237 209 P C 0.894 178.004 177.300 -0.316 0.000 1.178 209 P CA 0.635 63.593 63.100 -0.238 0.000 0.766 209 P CB 0.030 31.655 31.700 -0.125 0.000 0.876 210 T N -6.240 108.171 114.554 -0.238 0.000 3.107 210 T HA 0.071 4.421 4.350 -0.000 0.000 0.249 210 T C 0.056 174.519 174.700 -0.396 0.000 1.096 210 T CA -0.430 61.529 62.100 -0.235 0.000 1.012 210 T CB -0.565 68.151 68.868 -0.253 0.000 0.977 210 T HN -0.029 nan 8.240 nan 0.000 0.527 211 W N 0.985 122.003 121.300 -0.470 0.000 2.520 211 W HA 0.677 5.337 4.660 -0.000 0.000 0.323 211 W C -0.998 175.104 176.519 -0.695 0.000 1.062 211 W CA -1.411 55.683 57.345 -0.418 0.000 1.215 211 W CB 0.905 30.004 29.460 -0.601 0.000 1.340 211 W HN -0.047 nan 8.180 nan 0.000 0.516 212 F N 2.101 122.197 119.950 0.243 0.000 2.599 212 F HA 0.695 5.222 4.527 -0.000 0.000 0.311 212 F C 0.028 176.219 175.800 0.651 0.000 1.076 212 F CA -1.493 56.705 58.000 0.329 0.000 0.937 212 F CB 1.179 40.229 39.000 0.084 0.000 1.282 212 F HN 0.088 nan 8.300 nan 0.000 0.460 213 V N -0.235 120.161 119.914 0.804 0.000 3.040 213 V HA 0.820 4.940 4.120 -0.000 0.000 0.312 213 V C -1.075 175.354 176.094 0.559 0.000 1.115 213 V CA -1.015 61.623 62.300 0.563 0.000 0.998 213 V CB 2.198 34.029 31.823 0.013 0.000 1.042 213 V HN 0.909 nan 8.190 nan 0.000 0.433 214 R N 1.886 122.580 120.500 0.323 0.000 2.535 214 R HA 0.643 4.983 4.340 -0.000 0.000 0.274 214 R C -1.973 174.359 176.300 0.053 0.000 1.090 214 R CA -0.712 55.414 56.100 0.044 0.000 0.930 214 R CB 2.060 32.018 30.300 -0.571 0.000 1.223 214 R HN 0.909 nan 8.270 nan 0.000 0.441 215 I N 4.378 124.984 120.570 0.061 0.000 2.307 215 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 215 I C -0.022 175.923 176.117 -0.287 0.000 1.021 215 I CA -0.810 60.528 61.300 0.063 0.000 1.224 215 I CB 1.296 39.450 38.000 0.255 0.000 1.376 215 I HN 0.333 nan 8.210 nan 0.000 0.470 216 R N 4.470 124.619 120.500 -0.586 0.000 2.349 216 R HA 0.610 4.950 4.340 -0.000 0.000 0.299 216 R C -0.823 175.050 176.300 -0.711 0.000 1.027 216 R CA -0.374 55.160 56.100 -0.944 0.000 0.958 216 R CB 1.567 30.893 30.300 -1.622 0.000 1.047 216 R HN 0.407 nan 8.270 nan 0.000 0.468 217 V N 4.306 123.828 119.914 -0.654 0.000 3.019 217 V HA 0.479 4.598 4.120 -0.000 0.000 0.317 217 V C -0.684 175.159 176.094 -0.419 0.000 1.094 217 V CA -1.039 60.920 62.300 -0.568 0.000 1.000 217 V CB 2.013 33.244 31.823 -0.986 0.000 1.060 217 V HN 0.610 nan 8.190 nan 0.000 0.443 218 L N 5.169 126.214 121.223 -0.297 0.000 2.352 218 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 218 L C 1.352 178.140 176.870 -0.137 0.000 1.109 218 L CA -0.559 54.176 54.840 -0.173 0.000 0.952 218 L CB 0.130 42.092 42.059 -0.162 0.000 1.314 218 L HN 0.763 nan 8.230 nan 0.000 0.427 219 H N 2.015 121.092 119.070 0.010 0.000 2.357 219 H HA -0.155 4.401 4.556 -0.000 0.000 0.296 219 H C -0.551 174.805 175.328 0.047 0.000 1.108 219 H CA 1.848 57.939 56.048 0.071 0.000 1.273 219 H CB -1.043 28.748 29.762 0.050 0.000 1.367 219 H HN 0.450 nan 8.280 nan 0.000 0.498 220 P HA -0.128 nan 4.420 nan 0.000 0.218 220 P C 1.462 178.785 177.300 0.038 0.000 1.146 220 P CA 2.692 65.843 63.100 0.084 0.000 0.820 220 P CB -0.023 31.717 31.700 0.066 0.000 0.778 221 T N -6.865 107.619 114.554 -0.118 0.000 2.964 221 T HA 0.027 4.377 4.350 -0.000 0.000 0.249 221 T C 1.683 176.323 174.700 -0.100 0.000 1.000 221 T CA -0.159 61.793 62.100 -0.247 0.000 0.992 221 T CB -1.071 67.243 68.868 -0.925 0.000 1.087 221 T HN -0.031 nan 8.240 nan 0.000 0.489 222 Y N 3.130 123.336 120.300 -0.156 0.000 2.163 222 Y HA -0.023 4.527 4.550 -0.000 0.000 0.288 222 Y C 1.363 177.245 175.900 -0.030 0.000 1.136 222 Y CA 1.730 59.779 58.100 -0.085 0.000 1.147 222 Y CB -0.547 37.826 38.460 -0.144 0.000 0.987 222 Y HN 0.084 nan 8.280 nan 0.000 0.509 223 D N 0.814 121.233 120.400 0.033 0.000 2.411 223 D HA -0.070 4.570 4.640 -0.000 0.000 0.226 223 D C -0.169 176.057 176.300 -0.124 0.000 0.988 223 D CA 0.914 54.881 54.000 -0.055 0.000 0.938 223 D CB -0.303 40.556 40.800 0.098 0.000 0.883 223 D HN 0.306 nan 8.370 nan 0.000 0.525 224 L N 1.579 122.729 121.223 -0.122 0.000 2.313 224 L HA 0.285 4.625 4.340 -0.000 0.000 0.273 224 L C -2.345 174.458 176.870 -0.112 0.000 1.028 224 L CA -1.838 52.945 54.840 -0.096 0.000 0.871 224 L CB 1.712 43.741 42.059 -0.050 0.000 1.242 224 L HN -0.370 nan 8.230 nan 0.000 0.434 225 P HA 0.013 nan 4.420 nan 0.000 0.267 225 P C -0.299 176.977 177.300 -0.040 0.000 1.209 225 P CA 0.030 63.067 63.100 -0.105 0.000 0.763 225 P CB 0.675 32.309 31.700 -0.110 0.000 0.816 226 D N 3.088 123.488 120.400 0.000 0.000 2.427 226 D HA 0.126 4.766 4.640 -0.000 0.000 0.224 226 D C -1.796 174.533 176.300 0.048 0.000 1.157 226 D CA -0.985 53.031 54.000 0.027 0.000 0.828 226 D CB -0.383 40.443 40.800 0.042 0.000 0.974 226 D HN 0.277 nan 8.370 nan 0.000 0.498 227 P HA -0.027 nan 4.420 nan 0.000 0.261 227 P C 1.045 178.386 177.300 0.068 0.000 1.173 227 P CA 0.317 63.446 63.100 0.049 0.000 0.760 227 P CB 0.920 32.624 31.700 0.008 0.000 0.783 228 T N 2.136 116.760 114.554 0.117 0.000 2.684 228 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 228 T C 1.233 175.967 174.700 0.057 0.000 1.036 228 T CA 1.755 63.938 62.100 0.137 0.000 1.148 228 T CB -0.444 68.532 68.868 0.179 0.000 0.863 228 T HN 0.559 nan 8.240 nan 0.000 0.436 229 E N 1.309 121.520 120.200 0.018 0.000 2.333 229 E HA 0.107 4.457 4.350 -0.000 0.000 0.198 229 E C 1.237 177.836 176.600 -0.003 0.000 1.007 229 E CA 0.387 56.784 56.400 -0.005 0.000 0.845 229 E CB -0.746 28.937 29.700 -0.028 0.000 0.766 229 E HN 0.497 nan 8.360 nan 0.000 0.507 230 G N 0.325 109.127 108.800 0.004 0.000 2.606 230 G HA2 0.278 4.238 3.960 -0.000 0.000 0.252 230 G HA3 0.278 4.238 3.960 -0.000 0.000 0.252 230 G C 0.049 174.950 174.900 0.001 0.000 1.206 230 G CA -0.644 44.454 45.100 -0.004 0.000 0.861 230 G HN 0.207 nan 8.290 nan 0.000 0.561 231 L N 0.203 121.421 121.223 -0.009 0.000 2.728 231 L HA 0.293 4.633 4.340 -0.000 0.000 0.235 231 L C -0.197 176.666 176.870 -0.012 0.000 1.197 231 L CA -0.127 54.708 54.840 -0.007 0.000 0.992 231 L CB -0.121 41.931 42.059 -0.012 0.000 1.263 231 L HN 0.144 nan 8.230 nan 0.000 0.484 232 L N 0.540 121.754 121.223 -0.014 0.000 2.362 232 L HA 0.581 4.921 4.340 -0.000 0.000 0.275 232 L C -0.557 176.304 176.870 -0.014 0.000 0.998 232 L CA -0.189 54.635 54.840 -0.027 0.000 0.820 232 L CB 1.419 43.452 42.059 -0.044 0.000 1.270 232 L HN -0.021 nan 8.230 nan 0.000 0.415 233 R N 1.645 122.134 120.500 -0.018 0.000 2.837 233 R HA 0.664 5.004 4.340 -0.000 0.000 0.271 233 R C 0.063 176.367 176.300 0.007 0.000 0.993 233 R CA 0.014 56.120 56.100 0.009 0.000 0.931 233 R CB 1.804 32.123 30.300 0.031 0.000 1.206 233 R HN 0.813 nan 8.270 nan 0.000 0.474 234 T N -2.271 112.336 114.554 0.088 0.000 3.608 234 T HA 0.290 4.640 4.350 -0.000 0.000 0.213 234 T C 1.019 175.932 174.700 0.355 0.000 0.897 234 T CA 0.422 62.673 62.100 0.251 0.000 1.533 234 T CB -0.366 68.725 68.868 0.372 0.000 1.504 234 T HN 0.436 nan 8.240 nan 0.000 0.446 235 V N -0.152 119.910 119.914 0.246 0.000 3.130 235 V HA 0.730 4.850 4.120 -0.000 0.000 0.310 235 V C 1.144 177.281 176.094 0.073 0.000 1.158 235 V CA -0.316 62.114 62.300 0.217 0.000 1.029 235 V CB 1.573 33.569 31.823 0.289 0.000 1.057 235 V HN 0.649 nan 8.190 nan 0.000 0.436 236 S N 0.538 116.281 115.700 0.072 0.000 2.336 236 S HA 0.089 4.559 4.470 -0.000 0.000 0.216 236 S C 0.283 174.876 174.600 -0.012 0.000 1.032 236 S CA 0.945 59.156 58.200 0.019 0.000 0.973 236 S CB -0.361 62.858 63.200 0.033 0.000 0.888 236 S HN 0.860 nan 8.310 nan 0.000 0.455 237 D N 0.449 120.853 120.400 0.008 0.000 2.457 237 D HA 0.679 5.319 4.640 -0.000 0.000 0.240 237 D C -0.723 175.616 176.300 0.065 0.000 1.041 237 D CA -0.544 53.449 54.000 -0.012 0.000 0.861 237 D CB 1.737 42.505 40.800 -0.054 0.000 1.394 237 D HN 0.552 nan 8.370 nan 0.000 0.473 238 Y N -1.186 119.057 120.300 -0.095 0.000 2.818 238 Y HA 0.739 5.289 4.550 -0.000 0.000 0.322 238 Y C -1.327 174.602 175.900 0.049 0.000 1.323 238 Y CA -1.224 56.877 58.100 0.002 0.000 1.090 238 Y CB 1.704 40.117 38.460 -0.078 0.000 1.328 238 Y HN 0.341 nan 8.280 nan 0.000 0.482 239 R N 2.052 122.585 120.500 0.055 0.000 2.633 239 R HA 0.370 4.710 4.340 -0.000 0.000 0.256 239 R C -2.401 174.091 176.300 0.320 0.000 1.131 239 R CA -0.652 55.432 56.100 -0.027 0.000 0.994 239 R CB 1.020 31.323 30.300 0.004 0.000 1.261 239 R HN 0.946 nan 8.270 nan 0.000 0.446 240 L N 3.371 124.805 121.223 0.352 0.000 2.380 240 L HA 0.256 4.596 4.340 -0.000 0.000 0.273 240 L C 1.485 178.540 176.870 0.309 0.000 1.138 240 L CA 0.008 55.074 54.840 0.376 0.000 0.832 240 L CB 1.496 43.760 42.059 0.341 0.000 1.124 240 L HN 0.953 nan 8.230 nan 0.000 0.454 241 T N -1.412 113.282 114.554 0.234 0.000 3.054 241 T HA 0.209 4.559 4.350 -0.000 0.000 0.255 241 T C -0.301 174.773 174.700 0.623 0.000 1.035 241 T CA -0.155 62.133 62.100 0.314 0.000 0.941 241 T CB -0.019 68.998 68.868 0.248 0.000 1.026 241 T HN 0.603 nan 8.240 nan 0.000 0.533 242 Y N -1.829 118.724 120.300 0.422 0.000 2.739 242 Y HA 0.578 5.128 4.550 -0.000 0.000 0.377 242 Y C -1.655 174.410 175.900 0.273 0.000 1.209 242 Y CA -2.066 56.254 58.100 0.367 0.000 1.448 242 Y CB 0.234 38.869 38.460 0.293 0.000 1.428 242 Y HN 0.179 nan 8.280 nan 0.000 0.530 243 K N 2.411 123.075 120.400 0.440 0.000 2.557 243 K HA 0.779 5.099 4.320 -0.000 0.000 0.257 243 K C -1.805 175.033 176.600 0.397 0.000 0.933 243 K CA -0.106 56.383 56.287 0.337 0.000 0.820 243 K CB 2.010 34.562 32.500 0.086 0.000 1.330 243 K HN 1.440 nan 8.250 nan 0.000 0.432 244 S N 3.725 119.665 115.700 0.400 0.000 2.537 244 S HA 0.653 5.123 4.470 -0.000 0.000 0.270 244 S C -0.943 173.877 174.600 0.367 0.000 1.142 244 S CA -0.888 57.527 58.200 0.359 0.000 0.870 244 S CB 1.008 64.400 63.200 0.320 0.000 1.112 244 S HN 0.506 nan 8.310 nan 0.000 0.466 245 I N 1.883 122.627 120.570 0.290 0.000 2.498 245 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 245 I C -0.637 175.615 176.117 0.224 0.000 1.032 245 I CA -0.569 60.857 61.300 0.211 0.000 1.073 245 I CB 2.583 40.624 38.000 0.069 0.000 1.251 245 I HN 0.660 nan 8.210 nan 0.000 0.426 246 T N 4.538 119.204 114.554 0.187 0.000 2.756 246 T HA 0.235 4.585 4.350 -0.000 0.000 0.290 246 T C -0.359 174.346 174.700 0.008 0.000 0.985 246 T CA -0.280 61.891 62.100 0.118 0.000 0.955 246 T CB 0.425 69.302 68.868 0.015 0.000 0.930 246 T HN 0.534 nan 8.240 nan 0.000 0.451 247 C N 4.365 123.644 119.300 -0.035 0.000 2.135 247 C HA 0.359 4.819 4.460 -0.000 0.000 0.345 247 C C 0.972 175.901 174.990 -0.101 0.000 1.067 247 C CA -0.969 58.005 59.018 -0.073 0.000 1.517 247 C CB -1.488 26.258 27.740 0.010 0.000 1.923 247 C HN 0.822 nan 8.230 nan 0.000 0.466 248 E N 1.766 121.912 120.200 -0.090 0.000 2.266 248 E HA 0.538 4.888 4.350 -0.000 0.000 0.277 248 E C -0.108 176.439 176.600 -0.088 0.000 1.018 248 E CA -0.305 56.048 56.400 -0.079 0.000 0.840 248 E CB 1.164 30.833 29.700 -0.052 0.000 1.082 248 E HN 0.775 nan 8.360 nan 0.000 0.395 249 A N 4.180 126.961 122.820 -0.065 0.000 2.409 249 A HA 0.158 4.478 4.320 -0.000 0.000 0.267 249 A C -0.137 177.439 177.584 -0.014 0.000 1.127 249 A CA -0.361 51.648 52.037 -0.046 0.000 0.795 249 A CB 0.187 19.185 19.000 -0.003 0.000 1.061 249 A HN 0.558 nan 8.150 nan 0.000 0.502 250 N N 2.851 121.550 118.700 -0.001 0.000 2.776 250 N HA 0.518 5.258 4.740 -0.000 0.000 0.245 250 N C -0.741 174.792 175.510 0.037 0.000 1.121 250 N CA -0.328 52.733 53.050 0.018 0.000 0.852 250 N CB 0.162 38.663 38.487 0.023 0.000 1.142 250 N HN 0.739 nan 8.380 nan 0.000 0.514 251 M N -0.077 119.545 119.600 0.036 0.000 2.664 251 M HA 0.723 5.203 4.480 -0.000 0.000 0.279 251 M C -2.735 173.587 176.300 0.037 0.000 1.275 251 M CA -1.836 53.493 55.300 0.047 0.000 0.829 251 M CB 1.209 33.845 32.600 0.061 0.000 1.727 251 M HN -0.083 nan 8.290 nan 0.000 0.459 252 P HA 0.241 nan 4.420 nan 0.000 0.268 252 P C 0.264 177.583 177.300 0.033 0.000 1.204 252 P CA -0.048 63.069 63.100 0.030 0.000 0.768 252 P CB 0.662 32.379 31.700 0.029 0.000 0.842 253 T N 1.723 116.293 114.554 0.027 0.000 2.822 253 T HA -0.136 4.214 4.350 -0.000 0.000 0.270 253 T C 1.263 175.982 174.700 0.032 0.000 1.064 253 T CA 1.407 63.524 62.100 0.028 0.000 1.131 253 T CB -0.374 68.507 68.868 0.022 0.000 0.858 253 T HN 0.352 nan 8.240 nan 0.000 0.483 254 L N 0.091 121.333 121.223 0.031 0.000 2.731 254 L HA 0.248 4.588 4.340 -0.000 0.000 0.240 254 L C 0.097 176.990 176.870 0.038 0.000 1.120 254 L CA -0.016 54.843 54.840 0.033 0.000 0.913 254 L CB 0.823 42.898 42.059 0.026 0.000 1.213 254 L HN 0.002 nan 8.230 nan 0.000 0.515 255 V N 1.121 121.060 119.914 0.041 0.000 2.154 255 V HA 0.098 4.218 4.120 -0.000 0.000 0.265 255 V C -0.317 175.814 176.094 0.061 0.000 1.293 255 V CA -0.306 62.023 62.300 0.048 0.000 1.205 255 V CB 0.070 31.920 31.823 0.044 0.000 1.306 255 V HN 0.289 nan 8.190 nan 0.000 0.479 256 D N 1.208 121.647 120.400 0.065 0.000 2.895 256 D HA 0.087 4.727 4.640 -0.000 0.000 0.258 256 D C 0.697 177.056 176.300 0.099 0.000 1.311 256 D CA -0.447 53.601 54.000 0.079 0.000 0.843 256 D CB 0.351 41.194 40.800 0.072 0.000 1.055 256 D HN 0.527 nan 8.370 nan 0.000 0.486 257 Q N 0.353 120.214 119.800 0.102 0.000 2.317 257 Q HA 0.541 4.881 4.340 -0.000 0.000 0.229 257 Q C 0.265 176.357 176.000 0.153 0.000 0.984 257 Q CA -0.633 55.243 55.803 0.121 0.000 0.911 257 Q CB 1.349 30.148 28.738 0.102 0.000 1.217 257 Q HN 0.240 nan 8.270 nan 0.000 0.501 258 G N 0.104 109.022 108.800 0.198 0.000 2.351 258 G HA2 0.274 4.234 3.960 -0.000 0.000 0.472 258 G HA3 0.274 4.234 3.960 -0.000 0.000 0.472 258 G C -2.191 172.931 174.900 0.370 0.000 1.570 258 G CA -0.836 44.422 45.100 0.263 0.000 0.921 258 G HN 0.527 nan 8.290 nan 0.000 0.674 259 F N 2.569 122.674 119.950 0.258 0.000 2.588 259 F HA 0.925 5.452 4.527 -0.000 0.000 0.310 259 F C -0.581 175.418 175.800 0.332 0.000 1.082 259 F CA -0.718 57.419 58.000 0.228 0.000 0.929 259 F CB 1.768 40.885 39.000 0.195 0.000 1.254 259 F HN 0.815 nan 8.300 nan 0.000 0.455 260 W N 5.735 126.808 121.300 -0.378 0.000 3.075 260 W HA 0.804 5.464 4.660 -0.000 0.000 0.334 260 W C -2.382 173.835 176.519 -0.504 0.000 1.243 260 W CA -1.268 55.845 57.345 -0.386 0.000 1.170 260 W CB 1.041 30.012 29.460 -0.814 0.000 1.452 260 W HN 0.456 nan 8.180 nan 0.000 0.572 261 I N 1.399 121.881 120.570 -0.147 0.000 2.722 261 I HA 0.699 4.869 4.170 -0.000 0.000 0.295 261 I C -0.018 176.132 176.117 0.055 0.000 1.161 261 I CA -0.774 60.372 61.300 -0.257 0.000 1.032 261 I CB 2.427 40.188 38.000 -0.399 0.000 1.244 261 I HN 0.667 nan 8.210 nan 0.000 0.421 262 G N 2.315 111.150 108.800 0.059 0.000 2.619 262 G HA2 0.860 4.820 3.960 -0.000 0.000 0.296 262 G HA3 0.860 4.820 3.960 -0.000 0.000 0.296 262 G C -1.173 173.700 174.900 -0.046 0.000 1.334 262 G CA -0.868 44.248 45.100 0.026 0.000 0.934 262 G HN 0.966 nan 8.290 nan 0.000 0.476 263 G N -0.782 107.954 108.800 -0.106 0.000 2.519 263 G HA2 0.521 4.481 3.960 -0.000 0.000 0.292 263 G HA3 0.521 4.481 3.960 -0.000 0.000 0.292 263 G C -2.027 172.712 174.900 -0.267 0.000 1.507 263 G CA -0.852 44.163 45.100 -0.142 0.000 0.806 263 G HN 0.759 nan 8.290 nan 0.000 0.523 264 H N -0.773 118.068 119.070 -0.382 0.000 2.499 264 H HA 0.742 5.298 4.556 -0.000 0.000 0.340 264 H C -1.044 173.947 175.328 -0.561 0.000 1.148 264 H CA -0.075 55.785 56.048 -0.313 0.000 1.215 264 H CB 1.651 31.247 29.762 -0.277 0.000 1.529 264 H HN 0.495 nan 8.280 nan 0.000 0.510 265 Y N -0.523 119.793 120.300 0.026 0.000 2.553 265 Y HA 0.539 5.089 4.550 -0.000 0.000 0.347 265 Y C -0.378 175.559 175.900 0.062 0.000 1.019 265 Y CA -1.353 56.765 58.100 0.030 0.000 1.032 265 Y CB 1.778 40.240 38.460 0.004 0.000 1.284 265 Y HN 0.732 nan 8.280 nan 0.000 0.466 266 A N 3.825 126.761 122.820 0.193 0.000 2.774 266 A HA 0.619 4.939 4.320 -0.000 0.000 0.326 266 A C -1.103 176.584 177.584 0.171 0.000 1.478 266 A CA -0.378 51.750 52.037 0.152 0.000 1.099 266 A CB -0.931 18.126 19.000 0.096 0.000 1.148 266 A HN 0.675 nan 8.150 nan 0.000 0.519 267 L N 2.414 123.758 121.223 0.201 0.000 2.280 267 L HA 0.454 4.794 4.340 -0.000 0.000 0.287 267 L C -0.092 176.893 176.870 0.193 0.000 1.023 267 L CA -0.251 54.715 54.840 0.210 0.000 0.819 267 L CB 1.758 43.988 42.059 0.284 0.000 1.212 267 L HN 0.448 nan 8.230 nan 0.000 0.420 268 T N 3.795 118.431 114.554 0.137 0.000 2.823 268 T HA 0.503 4.853 4.350 -0.000 0.000 0.279 268 T C -2.340 172.404 174.700 0.074 0.000 0.998 268 T CA -1.099 61.061 62.100 0.099 0.000 0.994 268 T CB 2.079 70.988 68.868 0.068 0.000 0.960 268 T HN 0.395 nan 8.240 nan 0.000 0.448 269 P HA 0.567 nan 4.420 nan 0.000 0.278 269 P C -0.998 176.299 177.300 -0.005 0.000 1.266 269 P CA -0.650 62.452 63.100 0.003 0.000 0.807 269 P CB 1.244 32.923 31.700 -0.035 0.000 1.094 270 I N 0.105 120.662 120.570 -0.022 0.000 2.466 270 I HA 0.416 4.586 4.170 -0.000 0.000 0.289 270 I C -0.007 176.087 176.117 -0.038 0.000 1.026 270 I CA -1.062 60.226 61.300 -0.020 0.000 1.078 270 I CB 1.986 39.980 38.000 -0.010 0.000 1.249 270 I HN 0.339 nan 8.210 nan 0.000 0.429 271 A N 4.617 127.417 122.820 -0.034 0.000 2.289 271 A HA 0.758 5.078 4.320 -0.000 0.000 0.298 271 A C 0.017 177.576 177.584 -0.041 0.000 1.208 271 A CA -0.229 51.782 52.037 -0.043 0.000 0.845 271 A CB 0.409 19.389 19.000 -0.033 0.000 1.125 271 A HN 0.731 nan 8.150 nan 0.000 0.517 272 T N -0.941 113.580 114.554 -0.054 0.000 2.901 272 T HA 0.721 5.071 4.350 -0.000 0.000 0.293 272 T C 0.046 174.702 174.700 -0.072 0.000 1.084 272 T CA -0.133 61.934 62.100 -0.055 0.000 1.008 272 T CB 1.048 69.884 68.868 -0.053 0.000 1.170 272 T HN 0.982 nan 8.240 nan 0.000 0.509 273 T N -0.540 113.967 114.554 -0.079 0.000 2.907 273 T HA 0.266 4.616 4.350 -0.000 0.000 0.298 273 T C 0.734 175.350 174.700 -0.140 0.000 1.017 273 T CA -0.591 61.444 62.100 -0.108 0.000 1.118 273 T CB 1.313 70.116 68.868 -0.109 0.000 0.948 273 T HN 0.872 nan 8.240 nan 0.000 0.531 274 Q N 1.282 120.969 119.800 -0.188 0.000 2.319 274 Q HA 0.148 4.488 4.340 -0.000 0.000 0.209 274 Q C 0.154 175.970 176.000 -0.308 0.000 0.884 274 Q CA -0.163 55.506 55.803 -0.222 0.000 0.938 274 Q CB 0.331 28.929 28.738 -0.233 0.000 1.098 274 Q HN 0.662 nan 8.270 nan 0.000 0.517 275 N N -0.070 118.435 118.700 -0.325 0.000 2.776 275 N HA 0.709 5.449 4.740 -0.000 0.000 0.319 275 N C -1.639 173.675 175.510 -0.326 0.000 1.316 275 N CA -0.102 52.709 53.050 -0.399 0.000 0.890 275 N CB 1.784 40.022 38.487 -0.415 0.000 1.165 275 N HN 0.117 nan 8.380 nan 0.000 0.596 276 A N -0.222 122.379 122.820 -0.364 0.000 2.522 276 A HA 0.320 4.640 4.320 -0.000 0.000 0.290 276 A C 0.441 177.946 177.584 -0.132 0.000 1.047 276 A CA -0.572 51.313 52.037 -0.254 0.000 0.935 276 A CB -0.290 18.469 19.000 -0.403 0.000 1.451 276 A HN 0.465 nan 8.150 nan 0.000 0.398 277 V N -0.887 119.033 119.914 0.009 0.000 2.809 277 V HA 0.178 4.298 4.120 -0.000 0.000 0.256 277 V C 0.443 176.664 176.094 0.211 0.000 1.080 277 V CA 1.656 64.012 62.300 0.093 0.000 1.102 277 V CB -0.686 31.162 31.823 0.042 0.000 0.705 277 V HN 0.704 nan 8.190 nan 0.000 0.475 278 E N -0.741 119.615 120.200 0.261 0.000 2.393 278 E HA 0.685 5.035 4.350 -0.000 0.000 0.273 278 E C -0.180 176.550 176.600 0.216 0.000 0.918 278 E CA -0.260 56.248 56.400 0.180 0.000 0.773 278 E CB 2.199 31.939 29.700 0.067 0.000 1.275 278 E HN 0.532 nan 8.360 nan 0.000 0.451 279 G N 0.393 109.102 108.800 -0.153 0.000 2.340 279 G HA2 0.079 4.039 3.960 -0.000 0.000 0.527 279 G HA3 0.079 4.039 3.960 -0.000 0.000 0.527 279 G C -1.194 173.252 174.900 -0.757 0.000 1.381 279 G CA -0.859 44.056 45.100 -0.308 0.000 1.001 279 G HN 0.376 nan 8.290 nan 0.000 0.626 280 S N -0.817 114.620 115.700 -0.438 0.000 2.532 280 S HA 0.803 5.273 4.470 -0.000 0.000 0.301 280 S C 1.025 175.486 174.600 -0.230 0.000 1.083 280 S CA 0.588 58.558 58.200 -0.384 0.000 1.025 280 S CB 1.691 64.762 63.200 -0.214 0.000 1.056 280 S HN 2.692 nan 8.310 nan 0.000 0.494 281 G N 0.948 109.650 108.800 -0.164 0.000 2.159 281 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.227 281 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.227 281 G C -0.036 174.958 174.900 0.156 0.000 0.986 281 G CA -0.710 44.367 45.100 -0.038 0.000 0.651 281 G HN 0.620 nan 8.290 nan 0.000 0.523 282 F N 1.042 120.988 119.950 -0.007 0.000 2.607 282 F HA 0.291 4.818 4.527 -0.000 0.000 0.374 282 F C 1.592 177.430 175.800 0.063 0.000 1.104 282 F CA -0.226 57.772 58.000 -0.005 0.000 1.296 282 F CB 0.771 39.771 39.000 -0.001 0.000 1.085 282 F HN 0.188 nan 8.300 nan 0.000 0.584 283 V N 1.327 121.343 119.914 0.169 0.000 2.649 283 V HA 0.262 4.382 4.120 -0.000 0.000 0.292 283 V C -0.807 175.368 176.094 0.135 0.000 1.055 283 V CA -0.627 61.811 62.300 0.229 0.000 1.023 283 V CB 1.162 33.100 31.823 0.192 0.000 0.992 283 V HN 0.668 nan 8.190 nan 0.000 0.480 284 H N 3.781 123.081 119.070 0.383 0.000 2.716 284 H HA 0.494 5.050 4.556 -0.000 0.000 0.260 284 H C -2.817 172.869 175.328 0.597 0.000 1.280 284 H CA -1.612 54.651 56.048 0.357 0.000 1.506 284 H CB 1.204 31.048 29.762 0.137 0.000 1.514 284 H HN 0.573 nan 8.280 nan 0.000 0.502 285 P HA -0.037 nan 4.420 nan 0.000 0.267 285 P C -0.611 177.032 177.300 0.571 0.000 1.205 285 P CA -0.036 63.382 63.100 0.529 0.000 0.765 285 P CB 0.379 32.264 31.700 0.308 0.000 0.828 286 F N 4.422 124.594 119.950 0.369 0.000 2.405 286 F HA 0.401 4.928 4.527 -0.000 0.000 0.355 286 F C -0.014 175.859 175.800 0.121 0.000 1.121 286 F CA -0.345 57.701 58.000 0.078 0.000 1.112 286 F CB 0.470 39.279 39.000 -0.318 0.000 1.126 286 F HN 0.179 nan 8.300 nan 0.000 0.481 287 N N 5.563 124.000 118.700 -0.438 0.000 2.314 287 N HA 0.424 5.164 4.740 -0.000 0.000 0.294 287 N C -1.996 173.280 175.510 -0.389 0.000 1.029 287 N CA -0.353 52.541 53.050 -0.260 0.000 0.845 287 N CB 2.250 40.690 38.487 -0.079 0.000 1.321 287 N HN 0.412 nan 8.380 nan 0.000 0.481 288 V N 2.097 121.920 119.914 -0.151 0.000 2.398 288 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 288 V C 0.408 176.532 176.094 0.050 0.000 1.026 288 V CA -0.585 61.692 62.300 -0.038 0.000 0.868 288 V CB 1.176 33.063 31.823 0.107 0.000 0.982 288 V HN 0.761 nan 8.190 nan 0.000 0.443 289 T N 5.356 119.950 114.554 0.066 0.000 2.841 289 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 289 T C -0.594 174.197 174.700 0.152 0.000 0.991 289 T CA -0.742 61.430 62.100 0.121 0.000 0.966 289 T CB 0.971 69.884 68.868 0.075 0.000 0.962 289 T HN 0.718 nan 8.240 nan 0.000 0.438 290 R N 5.430 126.051 120.500 0.202 0.000 2.312 290 R HA 0.367 4.707 4.340 -0.000 0.000 0.310 290 R C -2.133 174.286 176.300 0.197 0.000 1.064 290 R CA -2.200 53.995 56.100 0.160 0.000 0.983 290 R CB 1.077 31.455 30.300 0.129 0.000 1.139 290 R HN 0.435 nan 8.270 nan 0.000 0.536 291 P HA -0.139 nan 4.420 nan 0.000 0.216 291 P C 0.367 177.690 177.300 0.038 0.000 1.157 291 P CA 1.391 64.618 63.100 0.213 0.000 0.880 291 P CB 0.363 32.146 31.700 0.138 0.000 0.791 292 G N -2.252 106.545 108.800 -0.005 0.000 3.214 292 G HA2 0.324 4.284 3.960 -0.000 0.000 0.188 292 G HA3 0.324 4.284 3.960 -0.000 0.000 0.188 292 G C 0.305 175.171 174.900 -0.057 0.000 1.126 292 G CA -0.305 44.761 45.100 -0.056 0.000 0.796 292 G HN -0.144 nan 8.290 nan 0.000 0.631 293 I N 1.507 122.036 120.570 -0.068 0.000 2.703 293 I HA 0.216 4.386 4.170 -0.000 0.000 0.259 293 I C 2.010 178.061 176.117 -0.109 0.000 1.151 293 I CA 0.417 61.671 61.300 -0.076 0.000 1.470 293 I CB -1.395 36.557 38.000 -0.080 0.000 1.112 293 I HN 0.357 nan 8.210 nan 0.000 0.437 294 A N 0.864 123.605 122.820 -0.132 0.000 2.386 294 A HA 0.427 4.747 4.320 -0.000 0.000 0.246 294 A C 1.631 179.140 177.584 -0.125 0.000 1.089 294 A CA 0.516 52.442 52.037 -0.186 0.000 0.790 294 A CB 0.210 19.103 19.000 -0.178 0.000 1.042 294 A HN 0.342 nan 8.150 nan 0.000 0.497 295 A N 1.172 123.924 122.820 -0.114 0.000 2.172 295 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 295 A C 1.436 179.029 177.584 0.015 0.000 1.154 295 A CA 1.041 53.088 52.037 0.018 0.000 0.701 295 A CB -1.152 17.903 19.000 0.092 0.000 0.789 295 A HN 1.630 nan 8.150 nan 0.000 0.465 296 G N -0.036 108.638 108.800 -0.210 0.000 2.305 296 G HA2 0.442 4.402 3.960 -0.000 0.000 0.243 296 G HA3 0.442 4.402 3.960 -0.000 0.000 0.243 296 G C -0.070 174.646 174.900 -0.307 0.000 1.288 296 G CA 0.674 45.406 45.100 -0.614 0.000 0.901 296 G HN 1.256 nan 8.290 nan 0.000 0.516 297 V N -0.634 119.100 119.914 -0.301 0.000 3.206 297 V HA 0.883 5.003 4.120 -0.000 0.000 0.305 297 V C -0.331 175.842 176.094 0.131 0.000 1.257 297 V CA -1.061 61.259 62.300 0.033 0.000 1.057 297 V CB 1.858 33.799 31.823 0.197 0.000 1.075 297 V HN 0.665 nan 8.190 nan 0.000 0.443 298 T N 3.402 118.040 114.554 0.141 0.000 2.809 298 T HA 0.671 5.021 4.350 -0.000 0.000 0.284 298 T C -0.453 174.302 174.700 0.091 0.000 0.992 298 T CA -0.289 61.895 62.100 0.140 0.000 0.957 298 T CB 0.957 69.860 68.868 0.059 0.000 0.942 298 T HN 0.680 nan 8.240 nan 0.000 0.439 299 L N 2.885 124.174 121.223 0.110 0.000 2.312 299 L HA 0.735 5.075 4.340 -0.000 0.000 0.281 299 L C 0.551 177.344 176.870 -0.128 0.000 1.070 299 L CA -0.623 54.169 54.840 -0.081 0.000 0.805 299 L CB 1.459 43.525 42.059 0.011 0.000 1.174 299 L HN 0.601 nan 8.230 nan 0.000 0.434 300 T N 1.526 115.899 114.554 -0.302 0.000 3.293 300 T HA 0.218 4.568 4.350 -0.000 0.000 0.320 300 T C -1.757 172.943 174.700 -0.001 0.000 0.995 300 T CA -0.409 61.647 62.100 -0.073 0.000 1.041 300 T CB 0.555 69.391 68.868 -0.053 0.000 1.058 300 T HN 0.486 nan 8.240 nan 0.000 0.453 301 W N 6.535 127.897 121.300 0.104 0.000 2.289 301 W HA 0.688 5.348 4.660 -0.000 0.000 0.342 301 W C 0.374 176.983 176.519 0.151 0.000 0.958 301 W CA -1.874 55.554 57.345 0.138 0.000 1.492 301 W CB -0.341 29.150 29.460 0.051 0.000 1.336 301 W HN 0.988 nan 8.180 nan 0.000 0.371 302 A N 4.066 127.120 122.820 0.389 0.000 2.600 302 A HA 0.125 4.445 4.320 -0.000 0.000 0.253 302 A C 1.365 179.106 177.584 0.261 0.000 0.997 302 A CA 1.853 54.045 52.037 0.258 0.000 0.820 302 A CB -0.087 19.054 19.000 0.234 0.000 0.888 302 A HN 1.128 nan 8.150 nan 0.000 0.508 303 S N -0.060 115.760 115.700 0.201 0.000 3.257 303 S HA -0.164 4.306 4.470 -0.000 0.000 0.300 303 S C 0.436 175.177 174.600 0.235 0.000 1.275 303 S CA 1.561 59.903 58.200 0.237 0.000 1.023 303 S CB -1.334 62.032 63.200 0.277 0.000 1.180 303 S HN 0.744 nan 8.310 nan 0.000 0.660 304 M N 1.014 120.621 119.600 0.012 0.000 2.216 304 M HA 0.325 4.805 4.480 -0.000 0.000 0.356 304 M C -2.292 173.937 176.300 -0.118 0.000 1.205 304 M CA -2.462 52.632 55.300 -0.343 0.000 1.122 304 M CB -0.447 31.646 32.600 -0.845 0.000 1.571 304 M HN -0.190 nan 8.290 nan 0.000 0.464 305 P HA 0.030 nan 4.420 nan 0.000 0.264 305 P C -2.410 175.001 177.300 0.185 0.000 1.179 305 P CA -0.352 62.750 63.100 0.003 0.000 0.763 305 P CB -0.288 31.366 31.700 -0.077 0.000 0.806 306 P HA 0.392 nan 4.420 nan 0.000 0.272 306 P C 0.146 177.637 177.300 0.319 0.000 1.230 306 P CA 0.441 63.654 63.100 0.187 0.000 0.788 306 P CB 0.588 32.316 31.700 0.047 0.000 0.949 307 G N -1.012 108.028 108.800 0.401 0.000 2.369 307 G HA2 0.524 4.484 3.960 -0.000 0.000 0.307 307 G HA3 0.524 4.484 3.960 -0.000 0.000 0.307 307 G C -0.734 174.663 174.900 0.827 0.000 1.327 307 G CA 0.340 45.738 45.100 0.496 0.000 0.963 307 G HN 0.908 nan 8.290 nan 0.000 0.590 308 G N -1.826 107.387 108.800 0.688 0.000 2.392 308 G HA2 0.589 4.549 3.960 -0.000 0.000 0.677 308 G HA3 0.589 4.549 3.960 -0.000 0.000 0.677 308 G C -0.597 174.590 174.900 0.478 0.000 1.334 308 G CA 0.516 46.012 45.100 0.661 0.000 0.961 308 G HN 2.007 nan 8.290 nan 0.000 0.616 309 S N -0.871 114.935 115.700 0.177 0.000 2.541 309 S HA 0.969 5.439 4.470 -0.000 0.000 0.280 309 S C -0.058 174.505 174.600 -0.061 0.000 1.112 309 S CA 0.033 58.313 58.200 0.133 0.000 0.925 309 S CB 1.874 65.148 63.200 0.124 0.000 1.067 309 S HN 2.199 nan 8.310 nan 0.000 0.479 310 A N 2.522 125.367 122.820 0.041 0.000 2.455 310 A HA 0.849 5.169 4.320 -0.000 0.000 0.300 310 A C -3.043 174.626 177.584 0.142 0.000 1.040 310 A CA -1.615 50.454 52.037 0.054 0.000 0.697 310 A CB 0.230 19.285 19.000 0.091 0.000 1.265 310 A HN 0.568 nan 8.150 nan 0.000 0.407 311 P HA 0.226 nan 4.420 nan 0.000 0.269 311 P C -0.165 177.204 177.300 0.114 0.000 1.211 311 P CA 0.088 63.251 63.100 0.105 0.000 0.781 311 P CB 0.415 32.167 31.700 0.087 0.000 0.877 312 S N 0.229 115.982 115.700 0.088 0.000 2.523 312 S HA 0.663 5.133 4.470 -0.000 0.000 0.275 312 S C 0.443 175.079 174.600 0.059 0.000 1.281 312 S CA -0.000 58.247 58.200 0.079 0.000 1.050 312 S CB 1.088 64.326 63.200 0.064 0.000 0.937 312 S HN 0.806 nan 8.310 nan 0.000 0.492 313 G N 0.818 109.649 108.800 0.050 0.000 2.494 313 G HA2 0.516 4.476 3.960 -0.000 0.000 0.308 313 G HA3 0.516 4.476 3.960 -0.000 0.000 0.308 313 G C -2.255 172.654 174.900 0.015 0.000 1.263 313 G CA -0.684 44.432 45.100 0.027 0.000 0.840 313 G HN 0.636 nan 8.290 nan 0.000 0.479 314 D N 0.438 120.837 120.400 -0.002 0.000 2.354 314 D HA 0.561 5.201 4.640 -0.000 0.000 0.230 314 D C -2.209 174.082 176.300 -0.015 0.000 1.361 314 D CA -0.662 53.336 54.000 -0.003 0.000 0.992 314 D CB 1.478 42.282 40.800 0.008 0.000 1.409 314 D HN 0.357 nan 8.370 nan 0.000 0.573 315 P HA 0.722 nan 4.420 nan 0.000 0.275 315 P C -1.302 175.928 177.300 -0.116 0.000 1.266 315 P CA -0.809 62.258 63.100 -0.055 0.000 0.793 315 P CB 1.077 32.747 31.700 -0.049 0.000 1.074 316 A N -0.792 121.967 122.820 -0.101 0.000 2.549 316 A HA 0.528 4.848 4.320 -0.000 0.000 0.297 316 A C -1.602 175.971 177.584 -0.018 0.000 1.061 316 A CA -0.797 51.198 52.037 -0.071 0.000 0.690 316 A CB 0.454 19.489 19.000 0.057 0.000 1.287 316 A HN 0.510 nan 8.150 nan 0.000 0.402 317 W N 1.070 122.457 121.300 0.144 0.000 2.193 317 W HA 0.485 5.145 4.660 -0.000 0.000 0.338 317 W C 0.008 176.784 176.519 0.428 0.000 1.310 317 W CA 0.574 58.083 57.345 0.272 0.000 1.243 317 W CB 0.464 30.009 29.460 0.143 0.000 1.165 317 W HN 0.392 nan 8.180 nan 0.000 0.566 318 I N 4.311 125.306 120.570 0.708 0.000 2.545 318 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 318 I C -2.304 173.820 176.117 0.011 0.000 1.040 318 I CA -2.774 58.740 61.300 0.357 0.000 1.068 318 I CB 1.979 40.077 38.000 0.163 0.000 1.251 318 I HN -0.007 nan 8.210 nan 0.000 0.424 319 P HA 0.076 nan 4.420 nan 0.000 0.271 319 P C -0.556 176.434 177.300 -0.518 0.000 1.226 319 P CA 0.214 62.676 63.100 -1.063 0.000 0.765 319 P CB 0.607 31.805 31.700 -0.837 0.000 0.835 320 D N 1.005 121.105 120.400 -0.499 0.000 2.538 320 D HA 0.224 4.864 4.640 -0.000 0.000 0.231 320 D C -0.653 175.502 176.300 -0.242 0.000 1.229 320 D CA 0.067 53.907 54.000 -0.266 0.000 0.828 320 D CB 0.215 40.918 40.800 -0.161 0.000 1.035 320 D HN 0.157 nan 8.370 nan 0.000 0.495 321 S N -2.112 113.412 115.700 -0.293 0.000 2.578 321 S HA 0.226 4.696 4.470 -0.000 0.000 0.285 321 S C 0.191 174.677 174.600 -0.190 0.000 1.126 321 S CA -0.535 57.542 58.200 -0.206 0.000 0.878 321 S CB 0.981 64.077 63.200 -0.172 0.000 1.091 321 S HN -0.114 nan 8.310 nan 0.000 0.450 322 T N 2.662 117.139 114.554 -0.128 0.000 3.040 322 T HA 0.145 4.495 4.350 -0.000 0.000 0.250 322 T C 1.394 176.053 174.700 -0.068 0.000 1.058 322 T CA 0.816 62.859 62.100 -0.094 0.000 0.988 322 T CB 0.039 68.861 68.868 -0.076 0.000 0.993 322 T HN 0.645 nan 8.240 nan 0.000 0.519 323 T N 2.129 116.637 114.554 -0.077 0.000 3.031 323 T HA 0.131 4.481 4.350 -0.000 0.000 0.254 323 T C 0.706 175.379 174.700 -0.045 0.000 1.060 323 T CA 0.390 62.449 62.100 -0.069 0.000 1.135 323 T CB 0.166 68.977 68.868 -0.096 0.000 0.896 323 T HN 0.593 nan 8.240 nan 0.000 0.472 324 Q N -0.833 118.946 119.800 -0.035 0.000 2.737 324 Q HA 0.458 4.798 4.340 -0.000 0.000 0.307 324 Q C -1.280 174.746 176.000 0.044 0.000 0.905 324 Q CA -1.099 54.719 55.803 0.025 0.000 0.753 324 Q CB 0.480 29.240 28.738 0.037 0.000 1.463 324 Q HN 0.108 nan 8.270 nan 0.000 0.455 325 F N 1.786 121.722 119.950 -0.022 0.000 2.557 325 F HA 0.206 4.733 4.527 -0.000 0.000 0.384 325 F C -0.365 175.441 175.800 0.010 0.000 1.057 325 F CA 1.081 59.083 58.000 0.003 0.000 1.169 325 F CB 0.436 39.409 39.000 -0.045 0.000 1.070 325 F HN 0.548 nan 8.300 nan 0.000 0.554 326 Q N 5.984 125.462 119.800 -0.536 0.000 2.364 326 Q HA 0.273 4.613 4.340 -0.000 0.000 0.251 326 Q C -2.161 173.503 176.000 -0.560 0.000 0.927 326 Q CA -0.596 54.980 55.803 -0.379 0.000 0.924 326 Q CB 0.967 29.581 28.738 -0.207 0.000 1.419 326 Q HN 0.747 nan 8.270 nan 0.000 0.427 327 W N 2.583 123.660 121.300 -0.373 0.000 2.992 327 W HA 0.724 5.384 4.660 -0.000 0.000 0.342 327 W C -0.325 176.269 176.519 0.126 0.000 1.176 327 W CA -0.441 56.822 57.345 -0.136 0.000 1.118 327 W CB 1.604 30.938 29.460 -0.211 0.000 1.457 327 W HN 0.729 nan 8.180 nan 0.000 0.573 328 R N 0.806 121.648 120.500 0.570 0.000 2.728 328 R HA 0.634 4.974 4.340 -0.000 0.000 0.274 328 R C -1.392 175.131 176.300 0.373 0.000 1.030 328 R CA -0.948 55.415 56.100 0.438 0.000 0.876 328 R CB 2.318 32.715 30.300 0.162 0.000 1.259 328 R HN 0.657 nan 8.270 nan 0.000 0.468 329 H N -1.376 117.716 119.070 0.038 0.000 3.003 329 H HA 0.437 4.993 4.556 -0.000 0.000 0.327 329 H C -1.291 173.984 175.328 -0.088 0.000 1.353 329 H CA -0.463 55.514 56.048 -0.118 0.000 1.142 329 H CB 2.026 31.519 29.762 -0.447 0.000 1.864 329 H HN 0.877 nan 8.280 nan 0.000 0.529 330 G N 0.376 109.077 108.800 -0.165 0.000 4.238 330 G HA2 0.341 4.301 3.960 -0.000 0.000 0.292 330 G HA3 0.341 4.301 3.960 -0.000 0.000 0.292 330 G C 0.491 175.376 174.900 -0.024 0.000 1.036 330 G CA 0.042 45.034 45.100 -0.180 0.000 0.812 330 G HN 0.834 nan 8.290 nan 0.000 0.489 331 G N -0.363 108.545 108.800 0.181 0.000 2.699 331 G HA2 0.259 4.219 3.960 -0.000 0.000 0.246 331 G HA3 0.259 4.219 3.960 -0.000 0.000 0.246 331 G C 0.633 175.616 174.900 0.140 0.000 1.219 331 G CA -0.397 44.809 45.100 0.177 0.000 0.866 331 G HN 0.097 nan 8.290 nan 0.000 0.572 332 F N -0.113 119.857 119.950 0.033 0.000 2.102 332 F HA 0.062 4.589 4.527 -0.000 0.000 0.298 332 F C 1.037 176.859 175.800 0.036 0.000 1.105 332 F CA 1.740 59.754 58.000 0.023 0.000 1.239 332 F CB 0.137 39.143 39.000 0.011 0.000 0.991 332 F HN 0.491 nan 8.300 nan 0.000 0.474 333 D N -0.645 119.943 120.400 0.313 0.000 2.477 333 D HA 0.518 5.158 4.640 -0.000 0.000 0.234 333 D C -0.839 175.509 176.300 0.080 0.000 1.048 333 D CA -0.444 53.673 54.000 0.195 0.000 0.959 333 D CB 1.745 42.699 40.800 0.255 0.000 1.408 333 D HN 0.318 nan 8.370 nan 0.000 0.496 334 A N 1.937 124.774 122.820 0.029 0.000 2.561 334 A HA 0.307 4.627 4.320 -0.000 0.000 0.234 334 A C -2.178 175.262 177.584 -0.240 0.000 1.055 334 A CA -0.477 51.471 52.037 -0.148 0.000 0.756 334 A CB -0.418 18.571 19.000 -0.018 0.000 0.986 334 A HN 0.482 nan 8.150 nan 0.000 0.505 335 P HA 0.119 nan 4.420 nan 0.000 0.269 335 P C 1.152 178.386 177.300 -0.111 0.000 1.209 335 P CA 0.423 63.303 63.100 -0.367 0.000 0.776 335 P CB 0.664 31.938 31.700 -0.711 0.000 0.876 336 T N -0.684 113.844 114.554 -0.043 0.000 3.023 336 T HA 0.062 4.412 4.350 -0.000 0.000 0.266 336 T C 1.115 175.853 174.700 0.065 0.000 1.093 336 T CA 0.497 62.608 62.100 0.018 0.000 1.129 336 T CB -0.824 68.052 68.868 0.013 0.000 0.899 336 T HN 0.427 nan 8.240 nan 0.000 0.491 337 G N 0.454 109.305 108.800 0.085 0.000 2.653 337 G HA2 0.500 4.460 3.960 -0.000 0.000 0.265 337 G HA3 0.500 4.460 3.960 -0.000 0.000 0.265 337 G C -1.129 173.930 174.900 0.265 0.000 1.237 337 G CA -0.432 44.760 45.100 0.154 0.000 0.946 337 G HN 0.382 nan 8.290 nan 0.000 0.522 338 V N 0.182 120.205 119.914 0.181 0.000 2.841 338 V HA 0.316 4.436 4.120 -0.000 0.000 0.310 338 V C -0.166 175.876 176.094 -0.088 0.000 1.090 338 V CA -0.608 61.735 62.300 0.073 0.000 0.930 338 V CB 2.030 33.865 31.823 0.020 0.000 1.014 338 V HN 0.623 nan 8.190 nan 0.000 0.425 339 I N 2.999 123.369 120.570 -0.333 0.000 2.416 339 I HA 0.299 4.469 4.170 -0.000 0.000 0.288 339 I C 0.232 176.280 176.117 -0.115 0.000 1.051 339 I CA 0.241 61.282 61.300 -0.431 0.000 1.375 339 I CB 1.126 38.620 38.000 -0.844 0.000 1.407 339 I HN 0.545 nan 8.210 nan 0.000 0.516 340 T N 6.013 120.538 114.554 -0.049 0.000 2.758 340 T HA 0.368 4.718 4.350 -0.000 0.000 0.285 340 T C -0.902 173.932 174.700 0.222 0.000 0.981 340 T CA -0.366 61.769 62.100 0.058 0.000 0.965 340 T CB 0.620 69.505 68.868 0.029 0.000 0.927 340 T HN 0.314 nan 8.240 nan 0.000 0.448 341 Y N 1.961 122.324 120.300 0.105 0.000 2.462 341 Y HA 0.525 5.075 4.550 -0.000 0.000 0.346 341 Y C -0.429 175.529 175.900 0.097 0.000 0.976 341 Y CA -0.779 57.432 58.100 0.185 0.000 1.044 341 Y CB 1.845 40.508 38.460 0.339 0.000 1.230 341 Y HN 0.551 nan 8.280 nan 0.000 0.455 342 T N 6.924 121.239 114.554 -0.398 0.000 2.786 342 T HA 0.386 4.736 4.350 -0.000 0.000 0.283 342 T C -0.445 173.940 174.700 -0.524 0.000 0.992 342 T CA -0.607 61.303 62.100 -0.317 0.000 0.954 342 T CB 0.397 69.148 68.868 -0.194 0.000 0.934 342 T HN 0.383 nan 8.240 nan 0.000 0.440 343 I N 5.379 125.812 120.570 -0.229 0.000 2.752 343 I HA 0.100 4.270 4.170 -0.000 0.000 0.286 343 I C -1.996 174.036 176.117 -0.142 0.000 1.180 343 I CA -2.367 58.851 61.300 -0.136 0.000 1.404 343 I CB -0.717 37.323 38.000 0.067 0.000 1.389 343 I HN 0.305 nan 8.210 nan 0.000 0.549 344 P HA 0.203 nan 4.420 nan 0.000 0.272 344 P C 0.032 177.399 177.300 0.112 0.000 1.240 344 P CA -0.504 62.558 63.100 -0.063 0.000 0.791 344 P CB 0.594 32.230 31.700 -0.108 0.000 0.978 345 R N 0.399 120.959 120.500 0.100 0.000 2.738 345 R HA 0.340 4.680 4.340 -0.000 0.000 0.268 345 R C 1.298 177.687 176.300 0.148 0.000 1.062 345 R CA 1.020 57.178 56.100 0.095 0.000 1.158 345 R CB -0.592 29.735 30.300 0.046 0.000 1.046 345 R HN 0.864 nan 8.270 nan 0.000 0.493 346 G N 0.565 109.384 108.800 0.032 0.000 2.179 346 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 346 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 346 G C -0.589 174.107 174.900 -0.341 0.000 0.977 346 G CA 0.026 45.048 45.100 -0.130 0.000 0.641 346 G HN 0.545 nan 8.290 nan 0.000 0.533 347 Y N 0.811 121.089 120.300 -0.036 0.000 2.426 347 Y HA 0.540 5.090 4.550 -0.000 0.000 0.325 347 Y C 0.436 176.345 175.900 0.015 0.000 0.989 347 Y CA -0.523 57.553 58.100 -0.040 0.000 1.284 347 Y CB 1.785 40.193 38.460 -0.086 0.000 1.104 347 Y HN 0.026 nan 8.280 nan 0.000 0.481 348 T N 5.387 120.003 114.554 0.104 0.000 3.281 348 T HA 0.262 4.612 4.350 -0.000 0.000 0.359 348 T C 0.298 175.127 174.700 0.214 0.000 1.459 348 T CA -0.651 61.530 62.100 0.135 0.000 1.114 348 T CB -0.399 68.511 68.868 0.069 0.000 1.162 348 T HN 0.284 nan 8.240 nan 0.000 0.665 349 M N 2.492 122.289 119.600 0.329 0.000 2.245 349 M HA 0.294 4.774 4.480 -0.000 0.000 0.330 349 M C 0.276 176.910 176.300 0.556 0.000 1.098 349 M CA 0.138 55.735 55.300 0.496 0.000 1.172 349 M CB -0.183 32.840 32.600 0.705 0.000 1.467 349 M HN 0.510 nan 8.290 nan 0.000 0.454 350 Q N 2.033 122.216 119.800 0.638 0.000 2.313 350 Q HA 0.395 4.735 4.340 -0.000 0.000 0.260 350 Q C -1.917 174.496 176.000 0.689 0.000 0.972 350 Q CA -0.635 55.530 55.803 0.603 0.000 0.886 350 Q CB 2.010 30.989 28.738 0.400 0.000 1.373 350 Q HN 0.628 nan 8.270 nan 0.000 0.416 351 Y N 1.723 122.236 120.300 0.355 0.000 2.545 351 Y HA 0.760 5.310 4.550 -0.000 0.000 0.324 351 Y C -1.584 174.270 175.900 -0.077 0.000 1.220 351 Y CA -1.518 56.521 58.100 -0.103 0.000 1.290 351 Y CB 0.849 38.906 38.460 -0.671 0.000 1.355 351 Y HN 0.519 nan 8.280 nan 0.000 0.516 352 F N 2.257 121.690 119.950 -0.861 0.000 2.361 352 F HA 0.329 4.856 4.527 -0.000 0.000 0.364 352 F C -0.705 174.673 175.800 -0.703 0.000 1.117 352 F CA -1.232 56.012 58.000 -1.261 0.000 1.071 352 F CB 0.506 38.459 39.000 -1.746 0.000 1.188 352 F HN 0.720 nan 8.300 nan 0.000 0.464 353 D N 4.174 123.800 120.400 -1.289 0.000 2.338 353 D HA 0.120 4.760 4.640 -0.000 0.000 0.255 353 D C 0.988 176.770 176.300 -0.865 0.000 1.237 353 D CA 0.369 53.939 54.000 -0.717 0.000 0.883 353 D CB 1.306 41.809 40.800 -0.496 0.000 1.087 353 D HN 0.650 nan 8.370 nan 0.000 0.485 354 T N 1.892 116.192 114.554 -0.423 0.000 2.821 354 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 354 T C 1.768 176.352 174.700 -0.193 0.000 1.046 354 T CA 1.353 63.310 62.100 -0.238 0.000 1.139 354 T CB -0.123 68.715 68.868 -0.050 0.000 0.871 354 T HN 0.458 nan 8.240 nan 0.000 0.454 355 T N 2.134 116.589 114.554 -0.164 0.000 2.614 355 T HA -0.132 4.218 4.350 -0.000 0.000 0.263 355 T C 2.446 177.066 174.700 -0.134 0.000 1.055 355 T CA 1.995 64.029 62.100 -0.111 0.000 1.162 355 T CB -0.775 68.047 68.868 -0.076 0.000 0.863 355 T HN 0.651 nan 8.240 nan 0.000 0.414 356 T N -0.590 113.851 114.554 -0.188 0.000 3.088 356 T HA 0.044 4.394 4.350 -0.000 0.000 0.259 356 T C 0.704 175.274 174.700 -0.217 0.000 1.122 356 T CA 0.204 62.202 62.100 -0.170 0.000 1.095 356 T CB -0.328 68.446 68.868 -0.156 0.000 0.930 356 T HN 0.340 nan 8.240 nan 0.000 0.508 357 N N 2.083 120.559 118.700 -0.374 0.000 2.727 357 N HA -0.121 4.619 4.740 -0.000 0.000 0.251 357 N C -0.897 174.409 175.510 -0.339 0.000 1.040 357 N CA 1.003 53.830 53.050 -0.372 0.000 0.712 357 N CB -1.107 37.355 38.487 -0.040 0.000 0.912 357 N HN 0.775 nan 8.380 nan 0.000 0.545 358 E N -1.184 118.600 120.200 -0.694 0.000 2.412 358 E HA 0.336 4.686 4.350 -0.000 0.000 0.279 358 E C -0.887 175.409 176.600 -0.508 0.000 0.984 358 E CA -0.683 55.529 56.400 -0.314 0.000 0.788 358 E CB 0.986 30.596 29.700 -0.151 0.000 1.277 358 E HN 0.095 nan 8.360 nan 0.000 0.455 359 W N 1.725 122.981 121.300 -0.073 0.000 2.338 359 W HA 0.351 5.011 4.660 -0.000 0.000 0.307 359 W C 0.060 176.456 176.519 -0.206 0.000 1.167 359 W CA -0.199 57.086 57.345 -0.101 0.000 1.208 359 W CB 0.704 30.211 29.460 0.078 0.000 1.228 359 W HN 0.204 nan 8.180 nan 0.000 0.499 360 N N 1.549 120.117 118.700 -0.220 0.000 2.272 360 N HA 0.370 5.110 4.740 -0.000 0.000 0.305 360 N C -0.011 175.591 175.510 0.153 0.000 1.103 360 N CA -0.723 52.277 53.050 -0.083 0.000 0.791 360 N CB 1.787 40.184 38.487 -0.150 0.000 1.356 360 N HN 0.528 nan 8.380 nan 0.000 0.486 361 G N 0.082 109.016 108.800 0.222 0.000 2.321 361 G HA2 0.051 4.011 3.960 -0.000 0.000 0.237 361 G HA3 0.051 4.011 3.960 -0.000 0.000 0.237 361 G C 0.124 175.300 174.900 0.459 0.000 1.282 361 G CA 0.126 45.403 45.100 0.295 0.000 0.886 361 G HN 0.539 nan 8.290 nan 0.000 0.528 362 F N 2.219 122.391 119.950 0.369 0.000 2.536 362 F HA 0.635 5.162 4.527 -0.000 0.000 0.278 362 F C 0.991 176.932 175.800 0.234 0.000 0.945 362 F CA 0.928 59.153 58.000 0.375 0.000 1.244 362 F CB 0.318 39.654 39.000 0.560 0.000 1.118 362 F HN 0.734 nan 8.300 nan 0.000 0.725 363 A N -0.016 122.919 122.820 0.190 0.000 2.599 363 A HA 0.619 4.939 4.320 -0.000 0.000 0.290 363 A C -1.613 176.065 177.584 0.157 0.000 1.101 363 A CA -0.809 51.240 52.037 0.020 0.000 0.674 363 A CB 0.834 19.807 19.000 -0.045 0.000 1.277 363 A HN 0.248 nan 8.150 nan 0.000 0.419 364 N N -0.480 118.271 118.700 0.086 0.000 2.509 364 N HA 0.620 5.360 4.740 -0.000 0.000 0.280 364 N C -3.097 172.456 175.510 0.071 0.000 1.306 364 N CA -1.506 51.598 53.050 0.090 0.000 0.782 364 N CB 1.357 39.876 38.487 0.053 0.000 1.493 364 N HN 0.247 nan 8.380 nan 0.000 0.498 365 P HA 0.073 nan 4.420 nan 0.000 0.266 365 P C -0.124 177.183 177.300 0.012 0.000 1.193 365 P CA 0.773 63.901 63.100 0.047 0.000 0.770 365 P CB 0.442 32.171 31.700 0.048 0.000 0.836 366 D N -1.303 119.089 120.400 -0.013 0.000 2.332 366 D HA -0.161 4.479 4.640 -0.000 0.000 0.166 366 D C -0.053 176.226 176.300 -0.035 0.000 1.574 366 D CA 2.014 55.997 54.000 -0.028 0.000 1.598 366 D CB -1.729 39.061 40.800 -0.016 0.000 1.354 366 D HN 0.605 nan 8.370 nan 0.000 0.481 367 D N 1.226 121.609 120.400 -0.028 0.000 2.341 367 D HA 0.390 5.030 4.640 -0.000 0.000 0.245 367 D C 0.363 176.632 176.300 -0.052 0.000 1.106 367 D CA -0.555 53.419 54.000 -0.044 0.000 0.905 367 D CB 0.903 41.670 40.800 -0.055 0.000 1.202 367 D HN 0.060 nan 8.370 nan 0.000 0.426 368 V N 1.398 121.275 119.914 -0.062 0.000 2.686 368 V HA 0.402 4.522 4.120 -0.000 0.000 0.295 368 V C 0.206 176.247 176.094 -0.089 0.000 1.057 368 V CA -0.615 61.651 62.300 -0.057 0.000 1.012 368 V CB 1.491 33.284 31.823 -0.050 0.000 1.006 368 V HN 0.509 nan 8.190 nan 0.000 0.477 369 V N 3.153 123.029 119.914 -0.064 0.000 2.789 369 V HA 0.674 4.794 4.120 -0.000 0.000 0.311 369 V C -0.130 175.789 176.094 -0.293 0.000 1.073 369 V CA -0.496 61.687 62.300 -0.194 0.000 0.921 369 V CB 2.582 34.337 31.823 -0.112 0.000 1.009 369 V HN 1.037 nan 8.190 nan 0.000 0.426 370 T N 0.661 114.928 114.554 -0.478 0.000 2.876 370 T HA 0.814 5.164 4.350 -0.000 0.000 0.289 370 T C -1.090 173.171 174.700 -0.732 0.000 1.014 370 T CA -0.505 61.324 62.100 -0.451 0.000 0.986 370 T CB 1.548 70.286 68.868 -0.216 0.000 1.021 370 T HN 0.179 nan 8.240 nan 0.000 0.458 371 F N 0.754 120.561 119.950 -0.238 0.000 2.482 371 F HA 0.778 5.305 4.527 -0.000 0.000 0.331 371 F C 0.825 176.464 175.800 -0.269 0.000 1.115 371 F CA -0.476 57.354 58.000 -0.283 0.000 0.955 371 F CB 2.356 41.149 39.000 -0.344 0.000 1.136 371 F HN 1.103 nan 8.300 nan 0.000 0.452 372 G N 1.790 110.612 108.800 0.037 0.000 2.690 372 G HA2 0.572 4.532 3.960 -0.000 0.000 0.293 372 G HA3 0.572 4.532 3.960 -0.000 0.000 0.293 372 G C -2.379 172.674 174.900 0.255 0.000 1.399 372 G CA -0.695 44.497 45.100 0.153 0.000 0.890 372 G HN 0.576 nan 8.290 nan 0.000 0.485 373 Q N -0.751 119.268 119.800 0.364 0.000 2.423 373 Q HA 0.732 5.072 4.340 -0.000 0.000 0.278 373 Q C -1.155 174.953 176.000 0.180 0.000 1.097 373 Q CA -0.761 55.224 55.803 0.303 0.000 0.809 373 Q CB 2.492 31.484 28.738 0.424 0.000 1.391 373 Q HN 0.755 nan 8.270 nan 0.000 0.428 374 T N -0.682 113.957 114.554 0.141 0.000 2.916 374 T HA 0.765 5.115 4.350 -0.000 0.000 0.298 374 T C 0.228 174.983 174.700 0.092 0.000 1.031 374 T CA 0.087 62.245 62.100 0.097 0.000 0.993 374 T CB 1.374 70.289 68.868 0.078 0.000 1.045 374 T HN 1.174 nan 8.240 nan 0.000 0.454 375 G N 0.952 109.799 108.800 0.079 0.000 2.741 375 G HA2 0.324 4.284 3.960 -0.000 0.000 0.222 375 G HA3 0.324 4.284 3.960 -0.000 0.000 0.222 375 G C 0.605 175.552 174.900 0.078 0.000 1.364 375 G CA 0.661 45.806 45.100 0.075 0.000 0.866 375 G HN 2.540 nan 8.290 nan 0.000 0.555 376 G N -2.000 106.835 108.800 0.058 0.000 2.278 376 G HA2 0.330 4.290 3.960 -0.000 0.000 0.210 376 G HA3 0.330 4.290 3.960 -0.000 0.000 0.210 376 G C 1.223 176.108 174.900 -0.026 0.000 1.000 376 G CA 1.163 46.285 45.100 0.036 0.000 0.635 376 G HN 2.651 nan 8.290 nan 0.000 0.495 377 A N 0.594 123.409 122.820 -0.009 0.000 2.561 377 A HA 0.638 4.958 4.320 -0.000 0.000 0.234 377 A C 1.734 179.241 177.584 -0.129 0.000 1.055 377 A CA 1.578 53.553 52.037 -0.103 0.000 0.756 377 A CB -0.300 18.817 19.000 0.194 0.000 0.986 377 A HN 2.483 nan 8.150 nan 0.000 0.505 378 A N 1.577 124.195 122.820 -0.337 0.000 2.261 378 A HA 0.213 4.533 4.320 -0.000 0.000 0.282 378 A C 1.997 179.534 177.584 -0.078 0.000 1.403 378 A CA 1.513 53.449 52.037 -0.167 0.000 0.753 378 A CB -1.729 17.281 19.000 0.016 0.000 1.125 378 A HN 3.104 nan 8.150 nan 0.000 0.358 379 G N -0.590 108.154 108.800 -0.094 0.000 2.186 379 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.266 379 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.266 379 G C 0.989 175.880 174.900 -0.014 0.000 0.982 379 G CA 1.616 46.688 45.100 -0.046 0.000 0.670 379 G HN 2.792 nan 8.290 nan 0.000 0.533 380 T N -1.032 113.518 114.554 -0.006 0.000 2.899 380 T HA 0.491 4.841 4.350 -0.000 0.000 0.295 380 T C 0.496 175.212 174.700 0.027 0.000 1.033 380 T CA -0.405 61.705 62.100 0.017 0.000 1.084 380 T CB 1.134 70.019 68.868 0.030 0.000 0.979 380 T HN 0.195 nan 8.240 nan 0.000 0.532 381 N N 1.332 120.054 118.700 0.036 0.000 2.412 381 N HA 0.341 5.081 4.740 -0.000 0.000 0.254 381 N C -0.110 175.438 175.510 0.064 0.000 1.232 381 N CA 0.084 53.163 53.050 0.050 0.000 0.880 381 N CB 0.492 39.009 38.487 0.051 0.000 1.076 381 N HN 0.960 nan 8.380 nan 0.000 0.458 382 A N 1.214 124.083 122.820 0.081 0.000 2.312 382 A HA 0.574 4.894 4.320 -0.000 0.000 0.328 382 A C 0.175 177.830 177.584 0.120 0.000 1.158 382 A CA -0.573 51.528 52.037 0.107 0.000 0.821 382 A CB 1.043 20.121 19.000 0.130 0.000 1.170 382 A HN 0.529 nan 8.150 nan 0.000 0.490 383 T N 2.644 117.275 114.554 0.128 0.000 2.949 383 T HA 0.502 4.852 4.350 -0.000 0.000 0.300 383 T C -0.675 174.117 174.700 0.154 0.000 0.988 383 T CA -0.545 61.631 62.100 0.127 0.000 0.993 383 T CB -0.117 68.806 68.868 0.091 0.000 0.984 383 T HN 0.412 nan 8.240 nan 0.000 0.442 384 I N 4.671 125.351 120.570 0.183 0.000 2.428 384 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 384 I C 0.677 176.876 176.117 0.136 0.000 1.019 384 I CA -0.274 61.154 61.300 0.214 0.000 1.351 384 I CB 1.266 39.446 38.000 0.301 0.000 1.412 384 I HN 0.687 nan 8.210 nan 0.000 0.513 385 T N 7.121 121.731 114.554 0.094 0.000 2.840 385 T HA 0.600 4.950 4.350 -0.000 0.000 0.287 385 T C 0.019 174.663 174.700 -0.094 0.000 0.991 385 T CA -0.358 61.745 62.100 0.004 0.000 0.964 385 T CB 1.371 70.236 68.868 -0.005 0.000 0.954 385 T HN 0.238 nan 8.240 nan 0.000 0.438 386 I N 3.852 124.319 120.570 -0.171 0.000 2.321 386 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 386 I C 0.269 176.226 176.117 -0.266 0.000 0.998 386 I CA -0.672 60.405 61.300 -0.371 0.000 1.227 386 I CB 1.349 39.115 38.000 -0.390 0.000 1.368 386 I HN 0.620 nan 8.210 nan 0.000 0.466 387 T N 3.165 117.514 114.554 -0.342 0.000 2.815 387 T HA 0.814 5.164 4.350 -0.000 0.000 0.289 387 T C -0.335 174.183 174.700 -0.302 0.000 1.000 387 T CA -0.742 61.206 62.100 -0.254 0.000 0.958 387 T CB 1.779 70.529 68.868 -0.198 0.000 0.944 387 T HN 0.616 nan 8.240 nan 0.000 0.442 388 A N 4.154 126.771 122.820 -0.338 0.000 2.350 388 A HA 0.881 5.201 4.320 -0.000 0.000 0.318 388 A C -1.729 175.669 177.584 -0.310 0.000 1.132 388 A CA -2.298 49.469 52.037 -0.450 0.000 0.811 388 A CB 0.719 19.127 19.000 -0.986 0.000 1.313 388 A HN 0.536 nan 8.150 nan 0.000 0.454 389 P HA -0.251 nan 4.420 nan 0.000 0.221 389 P C 1.343 178.556 177.300 -0.145 0.000 1.160 389 P CA 3.164 66.164 63.100 -0.167 0.000 0.933 389 P CB 0.144 31.759 31.700 -0.141 0.000 0.793 390 T N -5.061 109.399 114.554 -0.158 0.000 3.054 390 T HA 0.316 4.666 4.350 -0.000 0.000 0.255 390 T C 0.190 174.826 174.700 -0.108 0.000 1.035 390 T CA -0.172 61.865 62.100 -0.105 0.000 0.941 390 T CB -0.343 68.489 68.868 -0.060 0.000 1.026 390 T HN -0.175 nan 8.240 nan 0.000 0.533 391 V N 0.423 120.230 119.914 -0.178 0.000 3.049 391 V HA 0.649 4.769 4.120 -0.000 0.000 0.309 391 V C -0.773 175.212 176.094 -0.182 0.000 1.148 391 V CA -0.856 61.345 62.300 -0.165 0.000 0.990 391 V CB 2.263 33.975 31.823 -0.185 0.000 1.039 391 V HN 0.293 nan 8.190 nan 0.000 0.430 392 T N 4.184 118.650 114.554 -0.147 0.000 2.937 392 T HA 0.694 5.044 4.350 -0.000 0.000 0.297 392 T C -0.812 173.812 174.700 -0.126 0.000 0.991 392 T CA -0.297 61.727 62.100 -0.127 0.000 0.990 392 T CB 0.894 69.702 68.868 -0.100 0.000 0.991 392 T HN 0.422 nan 8.240 nan 0.000 0.440 393 L N 2.845 123.995 121.223 -0.121 0.000 2.319 393 L HA 0.884 5.224 4.340 -0.000 0.000 0.267 393 L C 0.310 177.139 176.870 -0.068 0.000 1.011 393 L CA -1.056 53.710 54.840 -0.122 0.000 0.818 393 L CB 2.212 44.163 42.059 -0.180 0.000 1.316 393 L HN 0.701 nan 8.230 nan 0.000 0.432 394 T N -1.017 113.519 114.554 -0.029 0.000 2.933 394 T HA 0.765 5.115 4.350 -0.000 0.000 0.305 394 T C -0.786 173.946 174.700 0.054 0.000 1.092 394 T CA -0.603 61.507 62.100 0.016 0.000 1.008 394 T CB 1.770 70.649 68.868 0.018 0.000 1.102 394 T HN 0.365 nan 8.240 nan 0.000 0.469 395 I N 2.297 122.927 120.570 0.100 0.000 2.545 395 I HA 0.505 4.675 4.170 -0.000 0.000 0.292 395 I C -1.076 175.117 176.117 0.127 0.000 1.040 395 I CA -1.317 60.061 61.300 0.130 0.000 1.068 395 I CB 2.166 40.285 38.000 0.198 0.000 1.251 395 I HN 0.541 nan 8.210 nan 0.000 0.424 396 L N 6.002 127.291 121.223 0.111 0.000 2.289 396 L HA 0.791 5.131 4.340 -0.000 0.000 0.285 396 L C -0.312 176.628 176.870 0.116 0.000 1.049 396 L CA -0.024 54.878 54.840 0.103 0.000 0.804 396 L CB 1.249 43.355 42.059 0.080 0.000 1.195 396 L HN 0.708 nan 8.230 nan 0.000 0.428 397 A N 3.395 126.287 122.820 0.121 0.000 2.310 397 A HA 0.638 4.958 4.320 -0.000 0.000 0.304 397 A C 0.047 177.694 177.584 0.106 0.000 1.231 397 A CA -0.088 52.025 52.037 0.128 0.000 0.799 397 A CB 0.450 19.540 19.000 0.150 0.000 1.162 397 A HN 0.808 nan 8.150 nan 0.000 0.486 398 T N 0.111 114.723 114.554 0.097 0.000 2.816 398 T HA 0.549 4.899 4.350 -0.000 0.000 0.282 398 T C 0.743 175.486 174.700 0.071 0.000 0.993 398 T CA 0.257 62.401 62.100 0.073 0.000 0.994 398 T CB 0.393 69.299 68.868 0.062 0.000 1.025 398 T HN 1.158 nan 8.240 nan 0.000 0.529 399 T N -0.428 114.150 114.554 0.041 0.000 2.906 399 T HA 0.254 4.604 4.350 -0.000 0.000 0.320 399 T C 0.863 175.568 174.700 0.008 0.000 1.088 399 T CA 0.063 62.174 62.100 0.017 0.000 1.120 399 T CB -0.628 68.234 68.868 -0.009 0.000 1.000 399 T HN 2.013 nan 8.240 nan 0.000 0.550 400 T N -0.274 114.255 114.554 -0.042 0.000 3.151 400 T HA -0.134 4.216 4.350 -0.000 0.000 0.438 400 T C 0.017 174.692 174.700 -0.042 0.000 0.772 400 T CA 0.294 62.269 62.100 -0.209 0.000 2.200 400 T CB -2.667 65.946 68.868 -0.425 0.000 1.653 400 T HN 1.906 nan 8.240 nan 0.000 0.581 401 S N -0.175 115.698 115.700 0.289 0.000 2.548 401 S HA 0.874 5.344 4.470 -0.000 0.000 0.286 401 S C 0.492 175.433 174.600 0.568 0.000 1.098 401 S CA -0.650 57.837 58.200 0.479 0.000 0.930 401 S CB 2.208 65.575 63.200 0.280 0.000 1.070 401 S HN 1.494 nan 8.310 nan 0.000 0.480 402 A N 0.795 123.963 122.820 0.580 0.000 2.551 402 A HA 0.757 5.077 4.320 -0.000 0.000 0.252 402 A C 0.963 178.643 177.584 0.160 0.000 1.199 402 A CA 0.257 52.471 52.037 0.295 0.000 0.972 402 A CB 0.047 19.090 19.000 0.071 0.000 1.153 402 A HN 1.524 nan 8.150 nan 0.000 0.559 403 A N 1.317 124.298 122.820 0.268 0.000 3.219 403 A HA 0.481 4.801 4.320 -0.000 0.000 0.314 403 A C -0.700 176.987 177.584 0.173 0.000 1.081 403 A CA -0.562 51.582 52.037 0.178 0.000 0.995 403 A CB -0.370 18.786 19.000 0.260 0.000 1.067 403 A HN 0.244 nan 8.150 nan 0.000 0.533 404 N N 0.815 119.602 118.700 0.144 0.000 2.469 404 N HA 0.403 5.143 4.740 -0.000 0.000 0.253 404 N C -1.256 174.335 175.510 0.135 0.000 0.970 404 N CA -0.020 53.116 53.050 0.145 0.000 0.940 404 N CB 2.297 40.874 38.487 0.149 0.000 1.128 404 N HN 0.280 nan 8.380 nan 0.000 0.503 405 V N 3.465 123.471 119.914 0.153 0.000 2.925 405 V HA 0.591 4.711 4.120 -0.000 0.000 0.311 405 V C -1.214 175.004 176.094 0.207 0.000 1.104 405 V CA -0.743 61.668 62.300 0.185 0.000 0.954 405 V CB 2.417 34.337 31.823 0.161 0.000 1.022 405 V HN 0.469 nan 8.190 nan 0.000 0.427 406 I N 5.153 125.894 120.570 0.287 0.000 2.436 406 I HA 0.462 4.632 4.170 -0.000 0.000 0.289 406 I C -0.409 175.875 176.117 0.278 0.000 1.010 406 I CA -0.644 60.780 61.300 0.207 0.000 1.098 406 I CB 1.968 40.076 38.000 0.181 0.000 1.266 406 I HN 0.598 nan 8.210 nan 0.000 0.434 407 N N 5.221 124.002 118.700 0.136 0.000 2.498 407 N HA 0.507 5.247 4.740 -0.000 0.000 0.287 407 N C -1.259 174.374 175.510 0.205 0.000 1.097 407 N CA 0.104 53.314 53.050 0.267 0.000 0.973 407 N CB 1.165 39.761 38.487 0.182 0.000 1.153 407 N HN 0.225 nan 8.380 nan 0.000 0.472 408 F N 0.778 121.057 119.950 0.550 0.000 2.654 408 F HA 0.590 5.117 4.527 -0.000 0.000 0.334 408 F C 0.610 176.822 175.800 0.686 0.000 1.078 408 F CA -0.851 57.548 58.000 0.665 0.000 0.986 408 F CB 1.411 40.793 39.000 0.637 0.000 1.362 408 F HN 0.259 nan 8.300 nan 0.000 0.498 409 R N 1.753 122.703 120.500 0.750 0.000 2.561 409 R HA 0.312 4.652 4.340 -0.000 0.000 0.266 409 R C -2.297 174.196 176.300 0.322 0.000 1.091 409 R CA -0.642 55.691 56.100 0.389 0.000 0.927 409 R CB 1.743 31.945 30.300 -0.162 0.000 1.240 409 R HN 0.704 nan 8.270 nan 0.000 0.449 410 N N 4.412 123.284 118.700 0.287 0.000 2.422 410 N HA 0.207 4.947 4.740 -0.000 0.000 0.266 410 N C 0.694 176.218 175.510 0.023 0.000 1.007 410 N CA -0.469 52.671 53.050 0.149 0.000 0.941 410 N CB 1.034 39.573 38.487 0.086 0.000 1.115 410 N HN 0.731 nan 8.380 nan 0.000 0.492 411 L N 0.881 122.109 121.223 0.009 0.000 2.465 411 L HA 0.088 4.428 4.340 -0.000 0.000 0.224 411 L C 0.252 177.064 176.870 -0.096 0.000 1.145 411 L CA 0.568 55.381 54.840 -0.045 0.000 0.834 411 L CB -0.229 41.824 42.059 -0.010 0.000 0.944 411 L HN 0.493 nan 8.230 nan 0.000 0.451 412 D N 0.149 120.470 120.400 -0.132 0.000 2.340 412 D HA 0.397 5.037 4.640 -0.000 0.000 0.251 412 D C 0.060 176.193 176.300 -0.278 0.000 1.080 412 D CA -0.089 53.798 54.000 -0.188 0.000 0.971 412 D CB 1.597 42.269 40.800 -0.213 0.000 1.137 412 D HN -0.010 nan 8.370 nan 0.000 0.475 413 A N 0.800 123.460 122.820 -0.267 0.000 2.340 413 A HA 0.508 4.828 4.320 -0.000 0.000 0.268 413 A C -0.030 177.351 177.584 -0.337 0.000 1.100 413 A CA -0.225 51.616 52.037 -0.326 0.000 0.803 413 A CB 0.408 19.274 19.000 -0.222 0.000 1.043 413 A HN 0.590 nan 8.150 nan 0.000 0.488 414 E N -0.207 119.758 120.200 -0.392 0.000 2.412 414 E HA 0.599 4.949 4.350 -0.000 0.000 0.279 414 E C -1.110 175.443 176.600 -0.078 0.000 0.984 414 E CA -0.888 55.381 56.400 -0.218 0.000 0.788 414 E CB 1.489 31.094 29.700 -0.158 0.000 1.277 414 E HN 0.597 nan 8.360 nan 0.000 0.455 415 T N -1.234 113.343 114.554 0.038 0.000 2.885 415 T HA 0.718 5.068 4.350 -0.000 0.000 0.285 415 T C -0.367 174.430 174.700 0.162 0.000 1.019 415 T CA -0.614 61.550 62.100 0.105 0.000 1.010 415 T CB 1.936 70.834 68.868 0.050 0.000 1.022 415 T HN 0.521 nan 8.240 nan 0.000 0.466 416 T N 0.229 114.894 114.554 0.185 0.000 2.821 416 T HA 0.665 5.015 4.350 -0.000 0.000 0.306 416 T C -0.823 173.967 174.700 0.151 0.000 1.313 416 T CA -0.289 61.927 62.100 0.192 0.000 1.012 416 T CB 1.226 70.264 68.868 0.283 0.000 1.298 416 T HN 1.203 nan 8.240 nan 0.000 0.502 417 A N 1.865 124.790 122.820 0.175 0.000 2.425 417 A HA 0.700 5.020 4.320 -0.000 0.000 0.249 417 A C 0.872 178.549 177.584 0.155 0.000 1.084 417 A CA 0.141 52.250 52.037 0.121 0.000 0.781 417 A CB -0.378 18.669 19.000 0.077 0.000 1.019 417 A HN 1.335 nan 8.150 nan 0.000 0.490 418 A N 1.749 124.582 122.820 0.021 0.000 2.406 418 A HA 0.561 4.881 4.320 -0.000 0.000 0.243 418 A C 0.587 178.136 177.584 -0.057 0.000 1.082 418 A CA 0.556 52.560 52.037 -0.055 0.000 0.786 418 A CB 0.237 19.202 19.000 -0.059 0.000 1.029 418 A HN 1.658 nan 8.150 nan 0.000 0.495 419 S N 0.817 116.407 115.700 -0.184 0.000 2.548 419 S HA 0.513 4.983 4.470 -0.000 0.000 0.276 419 S C -1.047 173.468 174.600 -0.141 0.000 1.129 419 S CA -0.935 57.167 58.200 -0.164 0.000 0.931 419 S CB 0.739 63.654 63.200 -0.476 0.000 1.068 419 S HN 0.751 nan 8.310 nan 0.000 0.480 420 N N 2.180 120.849 118.700 -0.053 0.000 2.472 420 N HA 0.469 5.209 4.740 -0.000 0.000 0.289 420 N C -0.729 174.723 175.510 -0.097 0.000 1.156 420 N CA -0.558 52.453 53.050 -0.065 0.000 0.940 420 N CB 1.375 39.851 38.487 -0.017 0.000 1.200 420 N HN 0.648 nan 8.380 nan 0.000 0.511 421 R N 0.228 120.664 120.500 -0.108 0.000 2.422 421 R HA 0.308 4.648 4.340 -0.000 0.000 0.307 421 R C -1.129 175.093 176.300 -0.131 0.000 1.004 421 R CA -0.391 55.629 56.100 -0.135 0.000 0.882 421 R CB 0.350 30.570 30.300 -0.132 0.000 1.164 421 R HN 0.431 nan 8.270 nan 0.000 0.489 422 S N 3.857 119.460 115.700 -0.160 0.000 2.411 422 S HA 0.129 4.599 4.470 -0.000 0.000 0.304 422 S C -0.641 173.833 174.600 -0.210 0.000 1.098 422 S CA -0.501 57.607 58.200 -0.153 0.000 1.068 422 S CB 0.727 63.838 63.200 -0.149 0.000 1.032 422 S HN 0.554 nan 8.310 nan 0.000 0.511 423 E N 2.478 122.587 120.200 -0.152 0.000 2.081 423 E HA 0.375 4.725 4.350 -0.000 0.000 0.281 423 E C -0.295 176.247 176.600 -0.097 0.000 0.986 423 E CA -0.655 55.653 56.400 -0.154 0.000 0.796 423 E CB 0.974 30.625 29.700 -0.082 0.000 1.085 423 E HN 0.452 nan 8.360 nan 0.000 0.398 424 V N 0.987 120.829 119.914 -0.121 0.000 2.715 424 V HA 0.603 4.723 4.120 -0.000 0.000 0.310 424 V C -2.381 173.793 176.094 0.133 0.000 1.054 424 V CA -2.807 59.508 62.300 0.025 0.000 0.928 424 V CB 1.529 33.389 31.823 0.062 0.000 1.007 424 V HN 0.481 nan 8.190 nan 0.000 0.437 425 P HA 0.386 nan 4.420 nan 0.000 0.276 425 P C -0.590 176.869 177.300 0.265 0.000 1.252 425 P CA -0.480 62.722 63.100 0.169 0.000 0.802 425 P CB 1.352 33.122 31.700 0.116 0.000 1.035 426 L N 2.027 123.357 121.223 0.178 0.000 2.439 426 L HA 0.382 4.722 4.340 -0.000 0.000 0.261 426 L C -1.510 175.369 176.870 0.016 0.000 1.153 426 L CA -1.853 53.075 54.840 0.148 0.000 0.808 426 L CB 0.712 42.776 42.059 0.008 0.000 1.126 426 L HN 0.325 nan 8.230 nan 0.000 0.460 427 P HA 0.290 nan 4.420 nan 0.000 0.279 427 P C -2.739 174.407 177.300 -0.256 0.000 1.276 427 P CA -1.795 61.113 63.100 -0.320 0.000 0.801 427 P CB -0.007 31.477 31.700 -0.360 0.000 1.127 428 P HA 0.111 nan 4.420 nan 0.000 0.268 428 P C 0.444 177.768 177.300 0.040 0.000 1.205 428 P CA 0.274 63.292 63.100 -0.136 0.000 0.771 428 P CB 0.837 32.464 31.700 -0.122 0.000 0.858 429 L N 1.007 122.214 121.223 -0.027 0.000 2.609 429 L HA 0.111 4.451 4.340 -0.000 0.000 0.230 429 L C 1.343 177.963 176.870 -0.418 0.000 1.087 429 L CA 0.478 55.274 54.840 -0.074 0.000 0.874 429 L CB -0.042 41.987 42.059 -0.050 0.000 1.114 429 L HN 0.459 nan 8.230 nan 0.000 0.488 430 T N -4.583 109.826 114.554 -0.242 0.000 2.940 430 T HA 0.339 4.689 4.350 -0.000 0.000 0.288 430 T C 0.884 175.593 174.700 0.016 0.000 1.033 430 T CA -0.572 61.425 62.100 -0.172 0.000 1.033 430 T CB 1.407 70.235 68.868 -0.067 0.000 1.079 430 T HN -0.065 nan 8.240 nan 0.000 0.496 431 F N 0.879 120.741 119.950 -0.146 0.000 2.095 431 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 431 F C 2.862 178.643 175.800 -0.032 0.000 1.104 431 F CA 0.853 58.823 58.000 -0.049 0.000 1.232 431 F CB -0.459 38.525 39.000 -0.026 0.000 0.987 431 F HN 0.860 nan 8.300 nan 0.000 0.475 432 G N -0.920 107.981 108.800 0.169 0.000 2.475 432 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 432 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 432 G C 1.485 176.415 174.900 0.051 0.000 1.125 432 G CA 0.638 45.786 45.100 0.080 0.000 0.755 432 G HN 0.251 nan 8.290 nan 0.000 0.565 433 Q N -0.372 119.455 119.800 0.045 0.000 2.339 433 Q HA 0.039 4.379 4.340 -0.000 0.000 0.205 433 Q C 2.758 178.792 176.000 0.056 0.000 0.925 433 Q CA 0.953 56.776 55.803 0.033 0.000 0.898 433 Q CB -0.160 28.582 28.738 0.006 0.000 1.013 433 Q HN 0.438 nan 8.270 nan 0.000 0.504 434 T N 1.243 115.844 114.554 0.079 0.000 2.732 434 T HA -0.052 4.298 4.350 -0.000 0.000 0.261 434 T C 1.885 176.636 174.700 0.085 0.000 1.040 434 T CA 1.388 63.564 62.100 0.126 0.000 1.145 434 T CB -0.232 68.733 68.868 0.160 0.000 0.866 434 T HN 0.341 nan 8.240 nan 0.000 0.427 435 A N 2.274 125.106 122.820 0.020 0.000 1.917 435 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 435 A C 0.517 178.097 177.584 -0.006 0.000 1.182 435 A CA 1.496 53.519 52.037 -0.023 0.000 0.633 435 A CB -1.474 17.493 19.000 -0.054 0.000 0.819 435 A HN 0.501 nan 8.150 nan 0.000 0.448 436 P HA 0.061 nan 4.420 nan 0.000 0.251 436 P C -0.069 177.247 177.300 0.026 0.000 1.223 436 P CA 0.510 63.617 63.100 0.012 0.000 0.796 436 P CB 0.177 31.884 31.700 0.013 0.000 1.068 437 N N 0.039 118.772 118.700 0.056 0.000 2.204 437 N HA 0.058 4.798 4.740 -0.000 0.000 0.219 437 N C -0.133 175.426 175.510 0.081 0.000 1.151 437 N CA 0.121 53.217 53.050 0.076 0.000 0.867 437 N CB 0.304 38.855 38.487 0.106 0.000 1.043 437 N HN 0.117 nan 8.380 nan 0.000 0.516 438 N N 1.234 119.955 118.700 0.036 0.000 2.533 438 N HA 0.212 4.952 4.740 -0.000 0.000 0.289 438 N C -2.284 173.184 175.510 -0.070 0.000 1.103 438 N CA -1.278 51.740 53.050 -0.052 0.000 0.877 438 N CB 2.311 40.725 38.487 -0.123 0.000 1.419 438 N HN -0.138 nan 8.380 nan 0.000 0.517 439 P HA 0.082 nan 4.420 nan 0.000 0.241 439 P C 0.218 177.461 177.300 -0.095 0.000 1.191 439 P CA 0.420 63.477 63.100 -0.072 0.000 0.771 439 P CB 0.573 32.239 31.700 -0.055 0.000 0.929 440 K N 0.783 121.109 120.400 -0.124 0.000 2.576 440 K HA 0.245 4.565 4.320 -0.000 0.000 0.209 440 K C 1.018 177.521 176.600 -0.161 0.000 1.049 440 K CA -0.506 55.695 56.287 -0.142 0.000 1.140 440 K CB -0.150 32.257 32.500 -0.155 0.000 0.871 440 K HN 0.394 nan 8.250 nan 0.000 0.479 441 I N -2.715 117.767 120.570 -0.147 0.000 3.223 441 I HA 0.359 4.529 4.170 -0.000 0.000 0.317 441 I C -0.257 175.757 176.117 -0.172 0.000 1.050 441 I CA -0.603 60.608 61.300 -0.149 0.000 1.069 441 I CB 1.041 38.967 38.000 -0.124 0.000 1.406 441 I HN -0.138 nan 8.210 nan 0.000 0.596 442 E N 1.776 121.853 120.200 -0.205 0.000 2.308 442 E HA 0.285 4.635 4.350 -0.000 0.000 0.275 442 E C -1.640 174.614 176.600 -0.577 0.000 0.890 442 E CA -0.774 55.451 56.400 -0.292 0.000 0.754 442 E CB 2.284 31.869 29.700 -0.191 0.000 1.207 442 E HN 0.599 nan 8.360 nan 0.000 0.426 443 Q N 2.119 121.507 119.800 -0.686 0.000 2.359 443 Q HA 0.684 5.024 4.340 -0.000 0.000 0.274 443 Q C -1.341 174.015 176.000 -1.073 0.000 1.074 443 Q CA -0.484 54.711 55.803 -1.013 0.000 0.810 443 Q CB 2.688 31.125 28.738 -0.501 0.000 1.342 443 Q HN 0.598 nan 8.270 nan 0.000 0.427 444 T N 0.980 114.482 114.554 -1.752 0.000 2.652 444 T HA 0.394 4.744 4.350 -0.000 0.000 0.303 444 T C -1.180 172.673 174.700 -1.412 0.000 1.738 444 T CA -0.609 60.757 62.100 -1.224 0.000 0.969 444 T CB 0.557 69.067 68.868 -0.598 0.000 1.778 444 T HN 0.554 nan 8.240 nan 0.000 0.494 445 L N 2.143 123.070 121.223 -0.493 0.000 2.464 445 L HA 0.308 4.648 4.340 -0.000 0.000 0.264 445 L C 1.837 178.765 176.870 0.096 0.000 1.199 445 L CA -0.425 54.355 54.840 -0.099 0.000 0.818 445 L CB 0.725 42.845 42.059 0.101 0.000 1.102 445 L HN 0.558 nan 8.230 nan 0.000 0.473 446 V N 1.418 121.476 119.914 0.239 0.000 2.453 446 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 446 V C 2.244 178.455 176.094 0.195 0.000 1.048 446 V CA 1.931 64.418 62.300 0.311 0.000 1.049 446 V CB -0.713 31.286 31.823 0.293 0.000 0.672 446 V HN 0.926 nan 8.190 nan 0.000 0.457 447 K N 0.315 120.805 120.400 0.149 0.000 2.283 447 K HA -0.208 4.112 4.320 -0.000 0.000 0.202 447 K C 1.706 178.365 176.600 0.098 0.000 1.048 447 K CA 1.721 58.073 56.287 0.108 0.000 0.948 447 K CB -0.316 32.240 32.500 0.093 0.000 0.742 447 K HN 0.403 nan 8.250 nan 0.000 0.458 448 D N 2.114 122.578 120.400 0.108 0.000 2.077 448 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 448 D C 1.553 177.918 176.300 0.107 0.000 0.986 448 D CA 2.199 56.252 54.000 0.090 0.000 0.829 448 D CB -0.020 40.817 40.800 0.062 0.000 0.983 448 D HN 0.408 nan 8.370 nan 0.000 0.453 449 T N -2.169 112.483 114.554 0.164 0.000 3.084 449 T HA 0.267 4.617 4.350 -0.000 0.000 0.270 449 T C 1.242 176.000 174.700 0.096 0.000 1.008 449 T CA -0.254 61.937 62.100 0.151 0.000 0.900 449 T CB -0.238 68.777 68.868 0.245 0.000 1.084 449 T HN 0.273 nan 8.240 nan 0.000 0.538 450 L N 0.744 122.023 121.223 0.093 0.000 3.839 450 L HA -0.201 4.139 4.340 -0.000 0.000 0.416 450 L C 1.055 177.923 176.870 -0.004 0.000 1.195 450 L CA 0.515 55.384 54.840 0.047 0.000 0.946 450 L CB -2.381 39.692 42.059 0.024 0.000 1.891 450 L HN 0.948 nan 8.230 nan 0.000 0.963 451 G N -1.017 107.763 108.800 -0.034 0.000 2.342 451 G HA2 0.164 4.124 3.960 -0.000 0.000 0.220 451 G HA3 0.164 4.124 3.960 -0.000 0.000 0.220 451 G C -0.542 174.005 174.900 -0.588 0.000 1.243 451 G CA 0.069 45.037 45.100 -0.219 0.000 1.083 451 G HN 0.983 nan 8.290 nan 0.000 0.500 452 S N -1.462 113.874 115.700 -0.606 0.000 2.661 452 S HA 0.772 5.242 4.470 -0.000 0.000 0.285 452 S C -1.504 172.993 174.600 -0.171 0.000 1.138 452 S CA -0.545 57.224 58.200 -0.717 0.000 0.855 452 S CB 2.616 64.989 63.200 -1.378 0.000 1.136 452 S HN 2.101 nan 8.310 nan 0.000 0.484 453 Y N 1.085 121.263 120.300 -0.203 0.000 2.333 453 Y HA 0.590 5.140 4.550 -0.000 0.000 0.324 453 Y C -1.873 174.020 175.900 -0.012 0.000 1.033 453 Y CA -1.700 56.379 58.100 -0.035 0.000 1.224 453 Y CB 0.608 39.112 38.460 0.074 0.000 1.120 453 Y HN 0.782 nan 8.280 nan 0.000 0.457 454 L N 6.863 128.068 121.223 -0.030 0.000 2.282 454 L HA 0.706 5.046 4.340 -0.000 0.000 0.288 454 L C -0.798 175.996 176.870 -0.128 0.000 1.033 454 L CA -1.162 53.595 54.840 -0.139 0.000 0.807 454 L CB 1.614 43.572 42.059 -0.169 0.000 1.209 454 L HN 0.330 nan 8.230 nan 0.000 0.423 455 V N 2.147 121.978 119.914 -0.137 0.000 2.409 455 V HA 0.278 4.398 4.120 -0.000 0.000 0.290 455 V C -0.262 175.784 176.094 -0.081 0.000 1.017 455 V CA -0.779 61.446 62.300 -0.124 0.000 0.841 455 V CB 1.126 32.772 31.823 -0.296 0.000 1.003 455 V HN 0.623 nan 8.190 nan 0.000 0.426 456 H N 2.086 121.211 119.070 0.090 0.000 2.757 456 H HA 0.575 5.131 4.556 -0.000 0.000 0.370 456 H C 0.683 175.951 175.328 -0.100 0.000 1.172 456 H CA 0.850 56.949 56.048 0.085 0.000 1.426 456 H CB 0.981 30.869 29.762 0.209 0.000 1.438 456 H HN 0.837 nan 8.280 nan 0.000 0.612 457 S N 0.467 116.203 115.700 0.060 0.000 2.651 457 S HA 0.410 4.880 4.470 -0.000 0.000 0.279 457 S C -1.058 173.689 174.600 0.246 0.000 1.148 457 S CA -1.372 56.877 58.200 0.082 0.000 0.837 457 S CB 1.595 64.737 63.200 -0.097 0.000 1.138 457 S HN 0.731 nan 8.310 nan 0.000 0.478 458 K N 0.303 120.896 120.400 0.321 0.000 2.285 458 K HA 0.495 4.815 4.320 -0.000 0.000 0.286 458 K C -0.189 176.440 176.600 0.048 0.000 1.072 458 K CA -0.478 55.885 56.287 0.126 0.000 0.913 458 K CB 0.659 33.061 32.500 -0.164 0.000 1.067 458 K HN 0.776 nan 8.250 nan 0.000 0.479 459 M N 2.703 122.331 119.600 0.047 0.000 2.279 459 M HA 0.158 4.638 4.480 -0.000 0.000 0.306 459 M C 1.200 177.512 176.300 0.021 0.000 0.965 459 M CA 0.026 55.343 55.300 0.028 0.000 1.038 459 M CB 0.657 33.281 32.600 0.039 0.000 1.636 459 M HN 0.645 nan 8.290 nan 0.000 0.574 460 R N -0.187 120.323 120.500 0.017 0.000 2.250 460 R HA 0.248 4.588 4.340 -0.000 0.000 0.194 460 R C 0.561 176.853 176.300 -0.015 0.000 0.927 460 R CA 0.363 56.473 56.100 0.016 0.000 1.052 460 R CB 0.533 30.858 30.300 0.042 0.000 1.055 460 R HN 0.234 nan 8.270 nan 0.000 0.537 461 N N 0.490 119.158 118.700 -0.053 0.000 2.295 461 N HA 0.194 4.934 4.740 -0.000 0.000 0.293 461 N C -2.397 173.038 175.510 -0.126 0.000 1.040 461 N CA -1.907 51.097 53.050 -0.077 0.000 0.840 461 N CB 2.352 40.790 38.487 -0.082 0.000 1.468 461 N HN -0.295 nan 8.380 nan 0.000 0.478 462 P HA -0.074 nan 4.420 nan 0.000 0.225 462 P C -0.198 177.022 177.300 -0.133 0.000 1.148 462 P CA 0.791 63.837 63.100 -0.090 0.000 0.779 462 P CB 0.191 31.866 31.700 -0.042 0.000 0.780 463 V N -5.610 114.214 119.914 -0.151 0.000 3.001 463 V HA 0.487 4.607 4.120 -0.000 0.000 0.314 463 V C -0.601 175.374 176.094 -0.198 0.000 1.099 463 V CA -1.425 60.798 62.300 -0.128 0.000 0.989 463 V CB 1.522 33.328 31.823 -0.029 0.000 1.040 463 V HN -0.285 nan 8.190 nan 0.000 0.434 464 F N 2.539 122.468 119.950 -0.034 0.000 2.619 464 F HA 0.408 4.935 4.527 -0.000 0.000 0.350 464 F C 0.854 176.619 175.800 -0.058 0.000 1.259 464 F CA 0.228 58.206 58.000 -0.037 0.000 1.204 464 F CB 0.314 39.276 39.000 -0.063 0.000 1.556 464 F HN 0.743 nan 8.300 nan 0.000 0.650 465 Q N 3.065 122.892 119.800 0.046 0.000 2.299 465 Q HA 0.448 4.788 4.340 -0.000 0.000 0.246 465 Q C -0.572 175.404 176.000 -0.039 0.000 0.935 465 Q CA -0.608 55.192 55.803 -0.004 0.000 0.887 465 Q CB 1.029 29.748 28.738 -0.032 0.000 1.223 465 Q HN 0.578 nan 8.270 nan 0.000 0.439 466 L N 1.616 122.795 121.223 -0.073 0.000 2.456 466 L HA 0.526 4.866 4.340 -0.000 0.000 0.257 466 L C 0.340 177.096 176.870 -0.190 0.000 1.162 466 L CA -0.479 54.274 54.840 -0.145 0.000 0.808 466 L CB 1.492 43.483 42.059 -0.113 0.000 1.136 466 L HN 0.694 nan 8.230 nan 0.000 0.466 467 T N 0.394 114.762 114.554 -0.310 0.000 2.932 467 T HA 0.416 4.766 4.350 -0.000 0.000 0.318 467 T C -2.761 171.809 174.700 -0.217 0.000 1.265 467 T CA -1.376 60.568 62.100 -0.259 0.000 1.036 467 T CB 2.153 70.854 68.868 -0.279 0.000 1.209 467 T HN 0.181 nan 8.240 nan 0.000 0.484 468 P HA 0.221 nan 4.420 nan 0.000 0.265 468 P C -0.075 177.198 177.300 -0.045 0.000 1.193 468 P CA 0.061 63.103 63.100 -0.097 0.000 0.765 468 P CB 0.508 32.121 31.700 -0.145 0.000 0.823 469 A N 2.516 125.265 122.820 -0.118 0.000 1.930 469 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 469 A C 0.908 178.328 177.584 -0.274 0.000 1.176 469 A CA 1.247 53.063 52.037 -0.368 0.000 0.632 469 A CB -0.367 18.245 19.000 -0.646 0.000 0.819 469 A HN 0.496 nan 8.150 nan 0.000 0.445 470 S N 0.569 116.114 115.700 -0.258 0.000 2.423 470 S HA 0.321 4.791 4.470 -0.000 0.000 0.317 470 S C 1.021 175.313 174.600 -0.514 0.000 1.065 470 S CA 0.103 58.120 58.200 -0.305 0.000 1.111 470 S CB 1.228 64.248 63.200 -0.300 0.000 0.968 470 S HN 0.585 nan 8.310 nan 0.000 0.474 471 S N 2.498 117.996 115.700 -0.337 0.000 2.548 471 S HA 0.170 4.640 4.470 -0.000 0.000 0.215 471 S C 0.660 175.148 174.600 -0.187 0.000 0.976 471 S CA -0.312 57.708 58.200 -0.300 0.000 0.908 471 S CB -0.910 62.213 63.200 -0.129 0.000 0.781 471 S HN 0.771 nan 8.310 nan 0.000 0.519 472 F N 0.355 120.309 119.950 0.007 0.000 3.057 472 F HA -0.185 4.342 4.527 -0.000 0.000 0.287 472 F C 0.867 176.671 175.800 0.007 0.000 0.834 472 F CA 0.028 58.044 58.000 0.026 0.000 1.147 472 F CB -1.628 37.388 39.000 0.026 0.000 1.245 472 F HN 0.631 nan 8.300 nan 0.000 0.509 473 G N -0.776 108.089 108.800 0.108 0.000 2.682 473 G HA2 0.826 4.786 3.960 -0.000 0.000 0.290 473 G HA3 0.826 4.786 3.960 -0.000 0.000 0.290 473 G C -1.677 173.182 174.900 -0.068 0.000 1.425 473 G CA -0.178 44.930 45.100 0.014 0.000 0.807 473 G HN 0.546 nan 8.290 nan 0.000 0.482 474 A N -0.627 122.117 122.820 -0.127 0.000 2.322 474 A HA 0.833 5.153 4.320 -0.000 0.000 0.327 474 A C -0.555 176.870 177.584 -0.264 0.000 1.134 474 A CA -0.706 51.205 52.037 -0.211 0.000 0.831 474 A CB 0.997 19.875 19.000 -0.204 0.000 1.288 474 A HN 0.617 nan 8.150 nan 0.000 0.472 475 I N 1.766 122.124 120.570 -0.354 0.000 2.312 475 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 475 I C 0.046 175.720 176.117 -0.738 0.000 1.008 475 I CA 0.098 61.111 61.300 -0.479 0.000 1.226 475 I CB 1.447 39.181 38.000 -0.443 0.000 1.371 475 I HN 0.527 nan 8.210 nan 0.000 0.468 476 S N 5.519 120.776 115.700 -0.738 0.000 2.664 476 S HA 0.725 5.195 4.470 -0.000 0.000 0.304 476 S C -0.687 173.307 174.600 -1.011 0.000 1.099 476 S CA -0.451 57.291 58.200 -0.763 0.000 1.003 476 S CB 1.465 64.462 63.200 -0.339 0.000 1.092 476 S HN 0.276 nan 8.310 nan 0.000 0.525 477 F N 0.648 120.470 119.950 -0.213 0.000 2.561 477 F HA 0.658 5.185 4.527 -0.000 0.000 0.321 477 F C 0.807 176.454 175.800 -0.255 0.000 1.065 477 F CA -0.770 57.104 58.000 -0.211 0.000 0.934 477 F CB 1.905 40.766 39.000 -0.231 0.000 1.215 477 F HN 0.576 nan 8.300 nan 0.000 0.471 478 T N -0.999 113.573 114.554 0.030 0.000 2.888 478 T HA 0.784 5.134 4.350 -0.000 0.000 0.288 478 T C -1.295 173.424 174.700 0.031 0.000 1.063 478 T CA -0.837 61.278 62.100 0.025 0.000 1.010 478 T CB 2.225 71.162 68.868 0.116 0.000 1.214 478 T HN 0.690 nan 8.240 nan 0.000 0.533 479 N N 0.211 118.965 118.700 0.090 0.000 3.171 479 N HA 0.426 5.166 4.740 -0.000 0.000 0.239 479 N C -3.189 172.391 175.510 0.117 0.000 1.275 479 N CA -1.122 51.968 53.050 0.067 0.000 0.920 479 N CB 1.720 40.207 38.487 0.000 0.000 1.554 479 N HN 0.559 nan 8.380 nan 0.000 0.504 480 P HA 0.188 nan 4.420 nan 0.000 0.264 480 P C 0.466 177.818 177.300 0.088 0.000 1.193 480 P CA 0.893 64.037 63.100 0.074 0.000 0.763 480 P CB 0.426 32.153 31.700 0.044 0.000 0.810 481 G N 1.737 110.590 108.800 0.088 0.000 2.141 481 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 481 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 481 G C -0.409 174.571 174.900 0.132 0.000 0.982 481 G CA -0.276 44.872 45.100 0.080 0.000 0.662 481 G HN 0.561 nan 8.290 nan 0.000 0.527 482 F N 1.670 121.623 119.950 0.006 0.000 2.436 482 F HA 0.656 5.183 4.527 -0.000 0.000 0.340 482 F C -0.277 175.527 175.800 0.008 0.000 1.113 482 F CA -1.952 56.054 58.000 0.009 0.000 1.022 482 F CB 1.812 40.822 39.000 0.016 0.000 1.128 482 F HN -0.016 nan 8.300 nan 0.000 0.466 483 D N 5.092 124.949 120.400 -0.905 0.000 2.380 483 D HA 0.239 4.879 4.640 -0.000 0.000 0.230 483 D C 0.975 176.683 176.300 -0.987 0.000 1.154 483 D CA -0.109 53.482 54.000 -0.682 0.000 0.859 483 D CB 0.703 41.259 40.800 -0.406 0.000 1.045 483 D HN 0.636 nan 8.370 nan 0.000 0.495 484 R N 2.388 122.579 120.500 -0.515 0.000 2.303 484 R HA -0.063 4.277 4.340 -0.000 0.000 0.225 484 R C 1.081 177.281 176.300 -0.166 0.000 1.114 484 R CA 0.485 56.462 56.100 -0.205 0.000 1.007 484 R CB -0.005 30.295 30.300 0.001 0.000 0.861 484 R HN 0.438 nan 8.270 nan 0.000 0.471 485 N N 0.657 119.231 118.700 -0.211 0.000 2.573 485 N HA -0.080 4.660 4.740 -0.000 0.000 0.187 485 N C 1.133 176.574 175.510 -0.115 0.000 1.107 485 N CA 0.814 53.785 53.050 -0.132 0.000 0.918 485 N CB 0.186 38.603 38.487 -0.118 0.000 0.966 485 N HN 0.309 nan 8.380 nan 0.000 0.448 486 L N 0.027 121.152 121.223 -0.163 0.000 2.558 486 L HA 0.097 4.437 4.340 -0.000 0.000 0.225 486 L C -0.231 176.663 176.870 0.041 0.000 1.128 486 L CA 0.139 54.941 54.840 -0.063 0.000 0.868 486 L CB 0.008 42.018 42.059 -0.082 0.000 1.006 486 L HN -0.195 nan 8.230 nan 0.000 0.454 487 D N 1.528 121.955 120.400 0.045 0.000 2.339 487 D HA 0.224 4.864 4.640 -0.000 0.000 0.256 487 D C 0.056 176.357 176.300 0.003 0.000 1.214 487 D CA 0.235 54.273 54.000 0.062 0.000 0.877 487 D CB 1.313 42.151 40.800 0.064 0.000 1.111 487 D HN 0.009 nan 8.370 nan 0.000 0.478 488 L N 4.432 125.657 121.223 0.003 0.000 2.367 488 L HA 0.213 4.553 4.340 -0.000 0.000 0.275 488 L C -1.886 174.945 176.870 -0.065 0.000 1.129 488 L CA -1.521 53.310 54.840 -0.015 0.000 0.839 488 L CB 0.642 42.709 42.059 0.013 0.000 1.133 488 L HN 0.086 nan 8.230 nan 0.000 0.453 489 P HA 0.374 nan 4.420 nan 0.000 0.271 489 P C -0.007 177.174 177.300 -0.199 0.000 1.218 489 P CA -0.008 62.983 63.100 -0.183 0.000 0.780 489 P CB 1.215 32.783 31.700 -0.220 0.000 0.901 490 G N 0.638 109.258 108.800 -0.300 0.000 2.334 490 G HA2 0.029 3.989 3.960 -0.000 0.000 0.249 490 G HA3 0.029 3.989 3.960 -0.000 0.000 0.249 490 G C -1.079 173.568 174.900 -0.421 0.000 1.327 490 G CA -0.696 44.236 45.100 -0.280 0.000 0.979 490 G HN 0.263 nan 8.290 nan 0.000 0.471 491 F N 2.418 122.330 119.950 -0.064 0.000 2.735 491 F HA 0.513 5.040 4.527 -0.000 0.000 0.304 491 F C 1.571 177.345 175.800 -0.044 0.000 1.119 491 F CA 0.110 58.081 58.000 -0.048 0.000 1.280 491 F CB 0.863 39.849 39.000 -0.023 0.000 0.994 491 F HN 0.690 nan 8.300 nan 0.000 0.520 492 G N -0.102 108.742 108.800 0.073 0.000 2.489 492 G HA2 0.489 4.449 3.960 -0.000 0.000 0.271 492 G HA3 0.489 4.449 3.960 -0.000 0.000 0.271 492 G C 0.553 175.420 174.900 -0.055 0.000 1.427 492 G CA 0.251 45.364 45.100 0.022 0.000 1.057 492 G HN 0.645 nan 8.290 nan 0.000 0.532 493 G N -1.707 107.034 108.800 -0.099 0.000 2.725 493 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.220 493 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.220 493 G C -0.183 174.541 174.900 -0.293 0.000 1.357 493 G CA -0.219 44.775 45.100 -0.177 0.000 0.866 493 G HN 0.891 nan 8.290 nan 0.000 0.548 494 I N 0.719 121.041 120.570 -0.413 0.000 2.363 494 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 494 I C 0.949 176.531 176.117 -0.892 0.000 1.075 494 I CA -0.341 60.451 61.300 -0.846 0.000 1.333 494 I CB 0.915 38.614 38.000 -0.502 0.000 1.415 494 I HN 0.329 nan 8.210 nan 0.000 0.502 495 R N 4.363 124.151 120.500 -1.187 0.000 2.893 495 R HA 0.210 4.550 4.340 -0.000 0.000 0.243 495 R C -0.843 175.246 176.300 -0.352 0.000 1.481 495 R CA 0.066 55.867 56.100 -0.498 0.000 1.250 495 R CB -0.468 29.768 30.300 -0.108 0.000 1.213 495 R HN 0.490 nan 8.270 nan 0.000 0.609 496 D N -1.164 119.054 120.400 -0.304 0.000 2.626 496 D HA 0.322 4.962 4.640 -0.000 0.000 0.278 496 D C -1.164 175.093 176.300 -0.072 0.000 1.211 496 D CA -0.449 53.477 54.000 -0.124 0.000 0.903 496 D CB 1.911 42.632 40.800 -0.132 0.000 1.408 496 D HN 0.108 nan 8.370 nan 0.000 0.454 497 S N 0.362 116.072 115.700 0.016 0.000 2.549 497 S HA 0.667 5.137 4.470 -0.000 0.000 0.297 497 S C -0.905 173.775 174.600 0.132 0.000 1.115 497 S CA -0.736 57.498 58.200 0.056 0.000 1.059 497 S CB 0.509 63.767 63.200 0.096 0.000 1.046 497 S HN 0.378 nan 8.310 nan 0.000 0.506 498 L N 3.207 124.497 121.223 0.111 0.000 2.307 498 L HA 0.436 4.776 4.340 -0.000 0.000 0.284 498 L C -0.058 176.913 176.870 0.169 0.000 1.023 498 L CA -0.727 54.196 54.840 0.137 0.000 0.810 498 L CB 1.652 43.748 42.059 0.061 0.000 1.231 498 L HN 0.790 nan 8.230 nan 0.000 0.423 499 D N 1.710 122.242 120.400 0.220 0.000 2.390 499 D HA -0.054 4.586 4.640 -0.000 0.000 0.236 499 D C 0.462 176.805 176.300 0.072 0.000 1.189 499 D CA 0.338 54.420 54.000 0.137 0.000 0.887 499 D CB 1.306 42.226 40.800 0.199 0.000 1.198 499 D HN 0.241 nan 8.370 nan 0.000 0.444 500 V N 2.216 122.135 119.914 0.007 0.000 3.578 500 V HA 0.189 4.309 4.120 -0.000 0.000 0.290 500 V C 0.336 176.442 176.094 0.020 0.000 1.376 500 V CA 0.360 62.664 62.300 0.007 0.000 1.083 500 V CB -0.464 31.334 31.823 -0.040 0.000 0.911 500 V HN 0.537 nan 8.190 nan 0.000 0.433 501 N N -0.989 117.738 118.700 0.046 0.000 2.474 501 N HA 0.218 4.958 4.740 -0.000 0.000 0.224 501 N C 0.633 176.191 175.510 0.080 0.000 1.092 501 N CA 0.017 53.078 53.050 0.018 0.000 0.844 501 N CB 0.073 38.529 38.487 -0.052 0.000 1.381 501 N HN 0.279 nan 8.380 nan 0.000 0.458 502 M N 1.874 121.574 119.600 0.167 0.000 2.232 502 M HA 0.101 4.581 4.480 -0.000 0.000 0.321 502 M C 1.195 177.645 176.300 0.251 0.000 1.101 502 M CA 0.145 55.589 55.300 0.240 0.000 1.181 502 M CB 0.320 33.081 32.600 0.269 0.000 1.432 502 M HN 0.061 nan 8.290 nan 0.000 0.457 503 S N 0.606 116.499 115.700 0.321 0.000 2.686 503 S HA 0.629 5.099 4.470 -0.000 0.000 0.270 503 S C 0.027 174.891 174.600 0.439 0.000 1.194 503 S CA -0.571 57.818 58.200 0.314 0.000 0.990 503 S CB 1.326 64.686 63.200 0.267 0.000 1.029 503 S HN 0.775 nan 8.310 nan 0.000 0.560 504 T N -2.133 112.582 114.554 0.268 0.000 2.863 504 T HA 0.770 5.120 4.350 -0.000 0.000 0.285 504 T C -0.533 174.122 174.700 -0.074 0.000 1.009 504 T CA -0.580 61.605 62.100 0.143 0.000 0.989 504 T CB 1.175 69.966 68.868 -0.129 0.000 1.004 504 T HN 1.228 nan 8.240 nan 0.000 0.455 505 A N 2.368 125.026 122.820 -0.269 0.000 2.384 505 A HA 0.956 5.276 4.320 -0.000 0.000 0.312 505 A C -0.163 177.230 177.584 -0.317 0.000 1.113 505 A CA -0.650 51.071 52.037 -0.527 0.000 0.779 505 A CB 1.634 19.922 19.000 -1.187 0.000 1.307 505 A HN 1.914 nan 8.150 nan 0.000 0.436 506 V N -2.538 117.210 119.914 -0.277 0.000 3.007 506 V HA 0.830 4.950 4.120 -0.000 0.000 0.311 506 V C -0.641 175.257 176.094 -0.327 0.000 1.120 506 V CA -0.847 61.285 62.300 -0.281 0.000 0.980 506 V CB 0.976 32.628 31.823 -0.285 0.000 1.033 506 V HN 1.522 nan 8.190 nan 0.000 0.429 507 C N 2.759 121.820 119.300 -0.399 0.000 2.642 507 C HA 0.767 5.227 4.460 -0.000 0.000 0.344 507 C C -0.797 173.972 174.990 -0.367 0.000 1.110 507 C CA -0.048 58.769 59.018 -0.335 0.000 1.298 507 C CB 0.399 28.004 27.740 -0.226 0.000 1.827 507 C HN 1.148 nan 8.230 nan 0.000 0.467 508 H N 3.850 122.917 119.070 -0.006 0.000 2.505 508 H HA 0.640 5.196 4.556 -0.000 0.000 0.338 508 H C -0.977 174.376 175.328 0.042 0.000 1.057 508 H CA -0.206 55.932 56.048 0.151 0.000 1.202 508 H CB 1.112 31.107 29.762 0.388 0.000 1.466 508 H HN 0.528 nan 8.280 nan 0.000 0.499 509 F N 2.043 122.178 119.950 0.309 0.000 2.469 509 F HA 0.549 5.076 4.527 -0.000 0.000 0.332 509 F C 0.313 176.143 175.800 0.050 0.000 1.103 509 F CA -0.752 57.371 58.000 0.204 0.000 0.979 509 F CB 1.383 40.373 39.000 -0.017 0.000 1.137 509 F HN 0.284 nan 8.300 nan 0.000 0.463 510 R N 0.772 121.406 120.500 0.223 0.000 2.686 510 R HA 0.430 4.770 4.340 -0.000 0.000 0.283 510 R C -0.602 175.729 176.300 0.052 0.000 0.978 510 R CA -0.892 55.201 56.100 -0.012 0.000 0.897 510 R CB 2.023 32.145 30.300 -0.297 0.000 1.192 510 R HN 0.707 nan 8.270 nan 0.000 0.457 511 S N 1.122 116.809 115.700 -0.021 0.000 3.711 511 S HA -0.158 4.312 4.470 -0.000 0.000 0.374 511 S C -0.407 174.223 174.600 0.050 0.000 0.969 511 S CA 0.267 58.480 58.200 0.021 0.000 1.198 511 S CB -0.929 62.300 63.200 0.048 0.000 0.903 511 S HN 0.334 nan 8.310 nan 0.000 0.493 512 L N 1.716 122.921 121.223 -0.030 0.000 2.334 512 L HA 0.574 4.914 4.340 -0.000 0.000 0.277 512 L C 0.843 177.813 176.870 0.165 0.000 1.075 512 L CA 0.452 55.287 54.840 -0.009 0.000 0.804 512 L CB 1.533 43.399 42.059 -0.321 0.000 1.174 512 L HN 0.420 nan 8.230 nan 0.000 0.438 513 S N 2.210 118.025 115.700 0.192 0.000 2.579 513 S HA 0.079 4.549 4.470 -0.000 0.000 0.275 513 S C 1.128 175.927 174.600 0.331 0.000 1.345 513 S CA -0.094 58.229 58.200 0.205 0.000 1.031 513 S CB 0.408 63.686 63.200 0.129 0.000 0.892 513 S HN 0.640 nan 8.310 nan 0.000 0.529 514 K N 2.108 122.621 120.400 0.189 0.000 2.504 514 K HA 0.027 4.347 4.320 -0.000 0.000 0.195 514 K C 1.529 178.104 176.600 -0.042 0.000 1.036 514 K CA 0.619 56.892 56.287 -0.024 0.000 0.984 514 K CB -0.040 32.368 32.500 -0.153 0.000 0.788 514 K HN 0.465 nan 8.250 nan 0.000 0.488 515 S N 0.303 116.033 115.700 0.049 0.000 2.501 515 S HA -0.025 4.445 4.470 -0.000 0.000 0.220 515 S C 0.734 175.380 174.600 0.076 0.000 0.997 515 S CA -0.119 58.100 58.200 0.031 0.000 0.919 515 S CB 0.061 63.281 63.200 0.033 0.000 0.778 515 S HN 0.373 nan 8.310 nan 0.000 0.523 516 C N 3.215 122.615 119.300 0.166 0.000 2.347 516 C HA 0.706 5.166 4.460 -0.000 0.000 0.353 516 C C 0.422 175.590 174.990 0.297 0.000 1.273 516 C CA -0.472 58.660 59.018 0.191 0.000 1.861 516 C CB -0.613 27.235 27.740 0.180 0.000 2.420 516 C HN 0.355 nan 8.230 nan 0.000 0.542 517 S N 4.858 120.670 115.700 0.187 0.000 2.726 517 S HA 0.705 5.175 4.470 -0.000 0.000 0.308 517 S C -0.860 173.803 174.600 0.105 0.000 1.115 517 S CA -0.581 57.757 58.200 0.230 0.000 0.965 517 S CB 1.311 64.590 63.200 0.130 0.000 1.145 517 S HN 0.737 nan 8.310 nan 0.000 0.532 518 I N 1.838 122.459 120.570 0.085 0.000 2.439 518 I HA 0.301 4.471 4.170 -0.000 0.000 0.283 518 I C -1.097 175.020 176.117 -0.000 0.000 1.023 518 I CA -0.681 60.573 61.300 -0.076 0.000 1.100 518 I CB 1.642 39.452 38.000 -0.317 0.000 1.238 518 I HN 0.257 nan 8.210 nan 0.000 0.445 519 V N 4.809 124.718 119.914 -0.008 0.000 2.546 519 V HA 0.316 4.436 4.120 -0.000 0.000 0.284 519 V C 0.540 176.642 176.094 0.012 0.000 1.050 519 V CA -0.280 62.036 62.300 0.028 0.000 0.981 519 V CB 1.449 33.280 31.823 0.012 0.000 0.990 519 V HN 0.821 nan 8.190 nan 0.000 0.474 520 T N 2.070 116.665 114.554 0.068 0.000 2.791 520 T HA 0.545 4.894 4.350 -0.000 0.000 0.288 520 T C -0.660 174.081 174.700 0.067 0.000 0.999 520 T CA -0.956 61.175 62.100 0.051 0.000 0.952 520 T CB 0.863 69.757 68.868 0.043 0.000 0.938 520 T HN 0.574 nan 8.240 nan 0.000 0.444 521 K N 2.756 123.176 120.400 0.032 0.000 2.263 521 K HA 0.512 4.832 4.320 -0.000 0.000 0.272 521 K C -0.042 176.588 176.600 0.049 0.000 1.033 521 K CA -0.638 55.645 56.287 -0.007 0.000 0.884 521 K CB 1.454 33.955 32.500 0.001 0.000 1.107 521 K HN 0.778 nan 8.250 nan 0.000 0.460 522 T N 1.911 116.465 114.554 0.001 0.000 2.812 522 T HA 0.402 4.752 4.350 -0.000 0.000 0.282 522 T C -1.237 173.469 174.700 0.011 0.000 0.990 522 T CA -0.599 61.566 62.100 0.108 0.000 0.960 522 T CB 0.382 69.367 68.868 0.195 0.000 0.948 522 T HN 0.357 nan 8.240 nan 0.000 0.438 523 Y N 2.918 123.339 120.300 0.201 0.000 2.328 523 Y HA 0.546 5.096 4.550 -0.000 0.000 0.337 523 Y C 0.429 176.482 175.900 0.253 0.000 0.966 523 Y CA -0.672 57.574 58.100 0.243 0.000 1.136 523 Y CB 1.951 40.598 38.460 0.312 0.000 1.170 523 Y HN 0.665 nan 8.280 nan 0.000 0.470 524 Q N 2.313 122.282 119.800 0.282 0.000 2.292 524 Q HA 0.624 4.964 4.340 -0.000 0.000 0.270 524 Q C -0.876 175.090 176.000 -0.057 0.000 1.024 524 Q CA -0.732 55.138 55.803 0.112 0.000 0.768 524 Q CB 1.752 30.549 28.738 0.097 0.000 1.250 524 Q HN 0.940 nan 8.270 nan 0.000 0.447 525 G N 3.790 112.249 108.800 -0.570 0.000 2.379 525 G HA2 0.657 4.617 3.960 -0.000 0.000 0.327 525 G HA3 0.657 4.617 3.960 -0.000 0.000 0.327 525 G C -1.273 173.553 174.900 -0.123 0.000 1.145 525 G CA -0.470 44.254 45.100 -0.626 0.000 0.905 525 G HN 0.599 nan 8.290 nan 0.000 0.466 526 W N 1.382 122.607 121.300 -0.125 0.000 3.031 526 W HA 0.799 5.459 4.660 0.000 0.000 0.337 526 W C -1.388 175.149 176.519 0.030 0.000 1.187 526 W CA -1.350 56.012 57.345 0.028 0.000 1.166 526 W CB 1.532 31.057 29.460 0.109 0.000 1.437 526 W HN 0.563 nan 8.180 nan 0.000 0.551 527 E N 0.868 121.195 120.200 0.211 0.000 2.275 527 E HA 0.608 4.958 4.350 -0.000 0.000 0.270 527 E C -0.908 175.849 176.600 0.261 0.000 0.882 527 E CA -0.510 55.897 56.400 0.011 0.000 0.758 527 E CB 2.296 31.966 29.700 -0.050 0.000 1.195 527 E HN 0.795 nan 8.360 nan 0.000 0.419 528 G N 1.355 110.283 108.800 0.214 0.000 2.690 528 G HA2 0.493 4.453 3.960 -0.000 0.000 0.293 528 G HA3 0.493 4.453 3.960 -0.000 0.000 0.293 528 G C -1.346 173.625 174.900 0.120 0.000 1.399 528 G CA -0.501 44.767 45.100 0.279 0.000 0.890 528 G HN 0.355 nan 8.290 nan 0.000 0.485 529 V N 1.276 121.219 119.914 0.048 0.000 2.427 529 V HA 0.565 4.685 4.120 -0.000 0.000 0.286 529 V C 0.877 177.046 176.094 0.125 0.000 1.034 529 V CA -0.489 61.767 62.300 -0.072 0.000 0.893 529 V CB 1.159 32.828 31.823 -0.255 0.000 0.982 529 V HN 1.047 nan 8.190 nan 0.000 0.452 530 T N 1.408 116.134 114.554 0.287 0.000 2.874 530 T HA 0.443 4.793 4.350 -0.000 0.000 0.281 530 T C 0.190 175.066 174.700 0.293 0.000 0.994 530 T CA -0.236 62.059 62.100 0.324 0.000 1.015 530 T CB 2.153 71.236 68.868 0.359 0.000 1.028 530 T HN 0.638 nan 8.240 nan 0.000 0.523 531 N N -0.417 118.404 118.700 0.203 0.000 3.234 531 N HA 0.234 4.974 4.740 -0.000 0.000 0.237 531 N C -0.678 174.893 175.510 0.101 0.000 1.372 531 N CA 0.703 53.843 53.050 0.151 0.000 1.273 531 N CB 0.473 39.031 38.487 0.118 0.000 0.973 531 N HN 0.840 nan 8.380 nan 0.000 0.898 532 V N -1.306 118.656 119.914 0.080 0.000 3.040 532 V HA 0.563 4.683 4.120 -0.000 0.000 0.312 532 V C -0.634 175.484 176.094 0.040 0.000 1.115 532 V CA -0.898 61.433 62.300 0.052 0.000 0.998 532 V CB 1.392 33.239 31.823 0.041 0.000 1.042 532 V HN 0.612 nan 8.190 nan 0.000 0.433 533 N N 0.335 119.047 118.700 0.020 0.000 2.699 533 N HA -0.194 4.546 4.740 -0.000 0.000 0.256 533 N C 0.016 175.518 175.510 -0.014 0.000 0.993 533 N CA 1.091 54.142 53.050 0.001 0.000 0.759 533 N CB -0.571 37.917 38.487 0.001 0.000 0.906 533 N HN 1.052 nan 8.380 nan 0.000 0.541 534 T N -1.199 113.349 114.554 -0.010 0.000 2.907 534 T HA 0.504 4.854 4.350 -0.000 0.000 0.292 534 T C -1.925 172.728 174.700 -0.078 0.000 1.043 534 T CA -1.612 60.457 62.100 -0.051 0.000 1.003 534 T CB 2.015 70.915 68.868 0.054 0.000 1.084 534 T HN -0.174 nan 8.240 nan 0.000 0.483 535 P HA 0.286 nan 4.420 nan 0.000 0.234 535 P C 1.021 178.411 177.300 0.150 0.000 1.175 535 P CA 0.451 63.478 63.100 -0.122 0.000 0.801 535 P CB 0.123 31.661 31.700 -0.271 0.000 0.891 536 F N -0.281 119.842 119.950 0.288 0.000 2.502 536 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 536 F C 2.444 178.415 175.800 0.285 0.000 1.111 536 F CA 0.282 58.516 58.000 0.390 0.000 1.445 536 F CB -0.847 38.375 39.000 0.371 0.000 1.081 536 F HN -0.037 nan 8.300 nan 0.000 0.558 537 G N 1.035 110.022 108.800 0.312 0.000 2.476 537 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.218 537 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.218 537 G C 1.502 176.435 174.900 0.054 0.000 1.164 537 G CA 0.950 46.153 45.100 0.172 0.000 0.768 537 G HN 0.508 nan 8.290 nan 0.000 0.560 538 Q N -0.708 119.049 119.800 -0.071 0.000 2.439 538 Q HA 0.023 4.363 4.340 -0.000 0.000 0.211 538 Q C 1.444 177.193 176.000 -0.418 0.000 0.978 538 Q CA 0.923 56.555 55.803 -0.286 0.000 0.897 538 Q CB -0.365 28.108 28.738 -0.442 0.000 0.956 538 Q HN 0.556 nan 8.270 nan 0.000 0.483 539 F N 0.736 120.689 119.950 0.006 0.000 2.678 539 F HA 0.427 4.954 4.527 -0.000 0.000 0.305 539 F C 0.994 176.594 175.800 -0.334 0.000 1.090 539 F CA -0.498 57.432 58.000 -0.116 0.000 1.272 539 F CB 0.516 39.495 39.000 -0.035 0.000 1.060 539 F HN 0.060 nan 8.300 nan 0.000 0.576 540 A N 0.258 123.045 122.820 -0.055 0.000 2.407 540 A HA 0.461 4.781 4.320 -0.000 0.000 0.248 540 A C -0.335 177.165 177.584 -0.140 0.000 1.082 540 A CA 0.087 52.093 52.037 -0.050 0.000 0.785 540 A CB 0.163 19.275 19.000 0.187 0.000 1.020 540 A HN 0.277 nan 8.150 nan 0.000 0.489 541 H N -0.030 119.125 119.070 0.142 0.000 2.949 541 H HA 0.494 5.050 4.556 -0.000 0.000 0.310 541 H C -0.055 175.356 175.328 0.138 0.000 1.405 541 H CA -0.923 55.186 56.048 0.101 0.000 1.253 541 H CB 0.950 30.747 29.762 0.059 0.000 1.932 541 H HN 0.624 nan 8.280 nan 0.000 0.602 542 S N -0.282 115.569 115.700 0.253 0.000 2.585 542 S HA 0.356 4.826 4.470 -0.000 0.000 0.273 542 S C 0.801 175.481 174.600 0.133 0.000 1.339 542 S CA -0.242 58.068 58.200 0.183 0.000 1.028 542 S CB 0.722 63.997 63.200 0.126 0.000 0.906 542 S HN 0.715 nan 8.310 nan 0.000 0.528 543 G N 0.911 109.767 108.800 0.093 0.000 2.539 543 G HA2 0.472 4.432 3.960 -0.000 0.000 0.258 543 G HA3 0.472 4.432 3.960 -0.000 0.000 0.258 543 G C -0.291 174.614 174.900 0.010 0.000 1.202 543 G CA -0.762 44.352 45.100 0.023 0.000 0.851 543 G HN 0.603 nan 8.290 nan 0.000 0.556 544 L N 0.058 121.262 121.223 -0.032 0.000 2.453 544 L HA 0.310 4.650 4.340 -0.000 0.000 0.261 544 L C 0.661 177.506 176.870 -0.041 0.000 1.179 544 L CA -0.569 54.247 54.840 -0.039 0.000 0.813 544 L CB 0.693 42.706 42.059 -0.077 0.000 1.110 544 L HN 0.275 nan 8.230 nan 0.000 0.466 545 L N 1.262 122.467 121.223 -0.029 0.000 2.475 545 L HA 0.267 4.607 4.340 -0.000 0.000 0.253 545 L C 0.500 177.340 176.870 -0.050 0.000 1.198 545 L CA -0.386 54.444 54.840 -0.017 0.000 0.814 545 L CB 0.289 42.349 42.059 0.001 0.000 1.134 545 L HN 0.523 nan 8.230 nan 0.000 0.478 546 K N 1.912 122.295 120.400 -0.028 0.000 2.297 546 K HA 0.081 4.401 4.320 -0.000 0.000 0.286 546 K C -0.655 175.914 176.600 -0.052 0.000 1.053 546 K CA -0.204 56.058 56.287 -0.041 0.000 0.940 546 K CB 0.399 32.897 32.500 -0.004 0.000 1.019 546 K HN 0.450 nan 8.250 nan 0.000 0.475 547 N N 4.524 123.183 118.700 -0.069 0.000 2.746 547 N HA 0.052 4.792 4.740 -0.000 0.000 0.250 547 N C -0.700 174.788 175.510 -0.035 0.000 1.146 547 N CA -0.216 52.793 53.050 -0.067 0.000 0.828 547 N CB 0.991 39.432 38.487 -0.078 0.000 1.158 547 N HN 0.572 nan 8.380 nan 0.000 0.519 548 D N 1.393 121.784 120.400 -0.016 0.000 2.116 548 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 548 D C 1.481 177.789 176.300 0.013 0.000 0.998 548 D CA 1.384 55.389 54.000 0.008 0.000 0.836 548 D CB 0.360 41.169 40.800 0.017 0.000 0.951 548 D HN 0.545 nan 8.370 nan 0.000 0.449 549 E N 0.423 120.616 120.200 -0.012 0.000 2.082 549 E HA -0.232 4.118 4.350 -0.000 0.000 0.215 549 E C 2.278 178.868 176.600 -0.017 0.000 1.048 549 E CA 1.014 57.398 56.400 -0.027 0.000 0.869 549 E CB -0.351 29.312 29.700 -0.061 0.000 0.773 549 E HN 0.332 nan 8.360 nan 0.000 0.466 550 I N 1.023 121.582 120.570 -0.018 0.000 2.113 550 I HA -0.243 3.927 4.170 -0.000 0.000 0.238 550 I C 2.790 179.032 176.117 0.208 0.000 1.070 550 I CA 1.024 62.348 61.300 0.040 0.000 1.332 550 I CB -1.281 36.764 38.000 0.074 0.000 1.044 550 I HN 0.121 nan 8.210 nan 0.000 0.402 551 L N 0.100 121.427 121.223 0.173 0.000 2.051 551 L HA -0.332 4.008 4.340 -0.000 0.000 0.214 551 L C 2.967 179.963 176.870 0.210 0.000 1.076 551 L CA 1.551 56.516 54.840 0.209 0.000 0.758 551 L CB -0.647 41.459 42.059 0.078 0.000 0.890 551 L HN 0.418 nan 8.230 nan 0.000 0.433 552 C N -0.285 119.095 119.300 0.133 0.000 2.453 552 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 552 C C 2.734 177.801 174.990 0.129 0.000 1.262 552 C CA 0.689 59.773 59.018 0.111 0.000 1.718 552 C CB -0.629 27.150 27.740 0.064 0.000 2.031 552 C HN 0.502 nan 8.230 nan 0.000 0.480 553 L N 1.807 123.103 121.223 0.122 0.000 2.131 553 L HA 0.067 4.407 4.340 -0.000 0.000 0.210 553 L C 2.557 179.572 176.870 0.242 0.000 1.092 553 L CA 2.305 57.227 54.840 0.137 0.000 0.759 553 L CB -0.866 41.231 42.059 0.065 0.000 0.903 553 L HN 0.381 nan 8.230 nan 0.000 0.435 554 A N -0.850 122.162 122.820 0.320 0.000 1.902 554 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 554 A C 2.022 179.792 177.584 0.310 0.000 1.181 554 A CA 1.884 54.123 52.037 0.336 0.000 0.623 554 A CB -0.749 18.481 19.000 0.384 0.000 0.818 554 A HN 0.499 nan 8.150 nan 0.000 0.443 555 D N 0.242 120.804 120.400 0.270 0.000 2.097 555 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 555 D C 1.439 177.833 176.300 0.156 0.000 0.989 555 D CA 1.361 55.492 54.000 0.218 0.000 0.827 555 D CB -0.458 40.437 40.800 0.158 0.000 0.966 555 D HN 0.373 nan 8.370 nan 0.000 0.456 556 D N 0.483 120.963 120.400 0.134 0.000 2.116 556 D HA -0.128 4.512 4.640 -0.000 0.000 0.193 556 D C 2.361 178.730 176.300 0.114 0.000 0.998 556 D CA 0.609 54.672 54.000 0.105 0.000 0.836 556 D CB -0.245 40.610 40.800 0.091 0.000 0.951 556 D HN 0.252 nan 8.370 nan 0.000 0.449 557 L N 0.473 121.777 121.223 0.135 0.000 2.109 557 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 557 L C 2.550 179.475 176.870 0.090 0.000 1.086 557 L CA 0.881 55.809 54.840 0.147 0.000 0.760 557 L CB -0.482 41.659 42.059 0.136 0.000 0.910 557 L HN -0.044 nan 8.230 nan 0.000 0.437 558 A N -0.408 122.461 122.820 0.082 0.000 2.067 558 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 558 A C 2.308 179.889 177.584 -0.004 0.000 1.158 558 A CA 1.960 54.006 52.037 0.014 0.000 0.661 558 A CB -0.623 18.457 19.000 0.132 0.000 0.801 558 A HN 0.360 nan 8.150 nan 0.000 0.452 559 T N -1.220 113.356 114.554 0.036 0.000 2.896 559 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 559 T C 2.101 176.796 174.700 -0.009 0.000 1.050 559 T CA 1.081 63.187 62.100 0.011 0.000 1.140 559 T CB -0.112 68.775 68.868 0.033 0.000 0.877 559 T HN 0.487 nan 8.240 nan 0.000 0.457 560 R N 0.660 121.171 120.500 0.018 0.000 2.080 560 R HA 0.129 4.469 4.340 -0.000 0.000 0.222 560 R C 0.530 176.808 176.300 -0.036 0.000 1.107 560 R CA 0.357 56.463 56.100 0.010 0.000 0.980 560 R CB -0.504 29.837 30.300 0.070 0.000 0.879 560 R HN 0.335 nan 8.270 nan 0.000 0.439 561 L N 1.610 122.812 121.223 -0.035 0.000 2.456 561 L HA 0.004 4.344 4.340 -0.000 0.000 0.272 561 L C 1.986 178.778 176.870 -0.129 0.000 1.189 561 L CA 0.051 54.855 54.840 -0.060 0.000 0.846 561 L CB 1.273 43.333 42.059 0.001 0.000 1.111 561 L HN 0.298 nan 8.230 nan 0.000 0.475 562 T N -1.743 112.706 114.554 -0.176 0.000 2.821 562 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 562 T C 1.403 175.849 174.700 -0.424 0.000 1.046 562 T CA 0.697 62.625 62.100 -0.286 0.000 1.139 562 T CB -0.229 68.454 68.868 -0.309 0.000 0.871 562 T HN 1.011 nan 8.240 nan 0.000 0.454 563 G N 0.215 108.643 108.800 -0.620 0.000 2.176 563 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.253 563 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.253 563 G C 0.051 174.532 174.900 -0.698 0.000 0.979 563 G CA -0.051 44.663 45.100 -0.642 0.000 0.641 563 G HN 0.920 nan 8.290 nan 0.000 0.530 564 V N 0.896 120.202 119.914 -1.012 0.000 2.447 564 V HA 0.735 4.855 4.120 -0.000 0.000 0.292 564 V C -0.353 175.270 176.094 -0.784 0.000 1.021 564 V CA -0.959 60.959 62.300 -0.637 0.000 0.850 564 V CB 0.777 32.457 31.823 -0.239 0.000 1.005 564 V HN 0.341 nan 8.190 nan 0.000 0.426 565 Y N 1.924 122.245 120.300 0.036 0.000 2.790 565 Y HA 0.829 5.379 4.550 -0.000 0.000 0.323 565 Y C 0.938 176.934 175.900 0.159 0.000 1.230 565 Y CA -1.013 57.140 58.100 0.089 0.000 1.121 565 Y CB 1.103 39.586 38.460 0.038 0.000 1.328 565 Y HN 0.635 nan 8.280 nan 0.000 0.514 566 G N -0.390 108.607 108.800 0.329 0.000 2.539 566 G HA2 0.407 4.367 3.960 -0.000 0.000 0.258 566 G HA3 0.407 4.367 3.960 -0.000 0.000 0.258 566 G C 0.601 175.568 174.900 0.112 0.000 1.202 566 G CA -0.124 45.109 45.100 0.221 0.000 0.851 566 G HN 0.903 nan 8.290 nan 0.000 0.556 567 A N 0.277 123.097 122.820 -0.000 0.000 2.121 567 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 567 A C 2.335 179.881 177.584 -0.063 0.000 1.154 567 A CA 2.106 54.112 52.037 -0.052 0.000 0.679 567 A CB -0.598 18.352 19.000 -0.083 0.000 0.795 567 A HN 0.919 nan 8.150 nan 0.000 0.458 568 T N -3.515 111.030 114.554 -0.015 0.000 3.148 568 T HA 0.048 4.398 4.350 -0.000 0.000 0.253 568 T C 0.393 175.057 174.700 -0.060 0.000 1.134 568 T CA 0.856 62.943 62.100 -0.022 0.000 1.051 568 T CB -0.007 68.873 68.868 0.020 0.000 0.959 568 T HN 0.312 nan 8.240 nan 0.000 0.525 569 D N 1.341 121.699 120.400 -0.070 0.000 2.462 569 D HA 0.119 4.759 4.640 -0.000 0.000 0.221 569 D C 1.065 177.261 176.300 -0.174 0.000 1.173 569 D CA -0.096 53.812 54.000 -0.152 0.000 0.831 569 D CB -0.201 40.537 40.800 -0.103 0.000 1.001 569 D HN 0.591 nan 8.370 nan 0.000 0.499 570 N N 1.040 119.558 118.700 -0.303 0.000 2.461 570 N HA -0.066 4.674 4.740 -0.000 0.000 0.188 570 N C 0.526 175.777 175.510 -0.431 0.000 1.134 570 N CA -0.297 52.317 53.050 -0.728 0.000 0.878 570 N CB -0.156 37.899 38.487 -0.721 0.000 0.972 570 N HN -0.043 nan 8.380 nan 0.000 0.456 571 F N 0.417 120.358 119.950 -0.016 0.000 2.357 571 F HA -0.127 4.400 4.527 -0.000 0.000 0.254 571 F C 0.607 176.376 175.800 -0.051 0.000 0.844 571 F CA -1.099 56.883 58.000 -0.029 0.000 1.078 571 F CB -0.515 38.469 39.000 -0.027 0.000 0.879 571 F HN -0.104 nan 8.300 nan 0.000 0.653 572 A N 2.605 125.518 122.820 0.155 0.000 2.540 572 A HA 0.435 4.755 4.320 -0.000 0.000 0.239 572 A C 1.214 178.821 177.584 0.037 0.000 1.061 572 A CA 0.376 52.425 52.037 0.021 0.000 0.758 572 A CB -1.076 17.938 19.000 0.022 0.000 0.991 572 A HN 2.622 nan 8.150 nan 0.000 0.502 573 A N 0.778 123.533 122.820 -0.109 0.000 2.860 573 A HA -0.002 4.318 4.320 -0.000 0.000 0.267 573 A C 1.680 179.184 177.584 -0.132 0.000 1.421 573 A CA 1.495 53.469 52.037 -0.104 0.000 0.831 573 A CB -1.982 16.986 19.000 -0.054 0.000 1.041 573 A HN 2.537 nan 8.150 nan 0.000 0.623 574 A N -1.061 121.508 122.820 -0.418 0.000 1.972 574 A HA 0.111 4.431 4.320 -0.000 0.000 0.219 574 A C 2.092 179.474 177.584 -0.337 0.000 1.169 574 A CA 2.142 53.726 52.037 -0.754 0.000 0.635 574 A CB -0.548 17.725 19.000 -1.213 0.000 0.810 574 A HN 1.319 nan 8.150 nan 0.000 0.446 575 V N 0.138 119.865 119.914 -0.313 0.000 2.427 575 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 575 V C 2.503 178.582 176.094 -0.026 0.000 1.051 575 V CA 1.790 63.940 62.300 -0.250 0.000 1.048 575 V CB -0.823 30.758 31.823 -0.404 0.000 0.666 575 V HN 0.575 nan 8.190 nan 0.000 0.456 576 L N 0.404 121.615 121.223 -0.019 0.000 2.046 576 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 576 L C 2.819 179.783 176.870 0.156 0.000 1.077 576 L CA 1.483 56.374 54.840 0.086 0.000 0.747 576 L CB -0.987 41.019 42.059 -0.088 0.000 0.896 576 L HN 0.343 nan 8.230 nan 0.000 0.432 577 A N 0.293 123.186 122.820 0.122 0.000 1.892 577 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 577 A C 2.202 179.906 177.584 0.200 0.000 1.188 577 A CA 2.028 54.171 52.037 0.176 0.000 0.631 577 A CB -0.920 18.250 19.000 0.284 0.000 0.822 577 A HN 0.409 nan 8.150 nan 0.000 0.447 578 F N 0.832 120.811 119.950 0.049 0.000 2.075 578 F HA -0.042 4.485 4.527 -0.000 0.000 0.297 578 F C 2.564 178.411 175.800 0.078 0.000 1.113 578 F CA 1.363 59.386 58.000 0.037 0.000 1.218 578 F CB -0.662 38.320 39.000 -0.031 0.000 0.984 578 F HN 0.237 nan 8.300 nan 0.000 0.472 579 A N 0.226 123.096 122.820 0.085 0.000 1.972 579 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 579 A C 2.359 180.061 177.584 0.196 0.000 1.169 579 A CA 1.747 53.808 52.037 0.039 0.000 0.635 579 A CB -1.507 17.476 19.000 -0.028 0.000 0.810 579 A HN 0.536 nan 8.150 nan 0.000 0.446 580 A N 0.271 123.288 122.820 0.329 0.000 1.872 580 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 580 A C 1.903 179.556 177.584 0.115 0.000 1.187 580 A CA 1.614 53.863 52.037 0.354 0.000 0.614 580 A CB -0.786 18.398 19.000 0.306 0.000 0.826 580 A HN 0.680 nan 8.150 nan 0.000 0.442 581 N N -0.836 117.883 118.700 0.032 0.000 2.166 581 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 581 N C 1.798 177.247 175.510 -0.102 0.000 1.019 581 N CA 1.418 54.450 53.050 -0.031 0.000 0.856 581 N CB -0.159 38.311 38.487 -0.029 0.000 0.993 581 N HN 0.296 nan 8.380 nan 0.000 0.426 582 M N 0.411 119.888 119.600 -0.206 0.000 2.099 582 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 582 M C 2.123 178.351 176.300 -0.120 0.000 1.067 582 M CA 1.005 56.171 55.300 -0.223 0.000 1.124 582 M CB -1.040 31.347 32.600 -0.355 0.000 1.353 582 M HN 0.210 nan 8.290 nan 0.000 0.410 583 L N 0.641 121.808 121.223 -0.093 0.000 2.012 583 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 583 L C 2.577 179.380 176.870 -0.111 0.000 1.073 583 L CA 2.645 57.388 54.840 -0.161 0.000 0.748 583 L CB -1.201 40.697 42.059 -0.270 0.000 0.891 583 L HN 0.543 nan 8.230 nan 0.000 0.431 584 T N -4.578 109.940 114.554 -0.060 0.000 2.746 584 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 584 T C 2.053 176.726 174.700 -0.045 0.000 1.039 584 T CA 1.456 63.531 62.100 -0.042 0.000 1.142 584 T CB -0.847 68.013 68.868 -0.013 0.000 0.866 584 T HN 0.316 nan 8.240 nan 0.000 0.444 585 S N 0.880 116.550 115.700 -0.050 0.000 2.365 585 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 585 S C 2.156 176.731 174.600 -0.043 0.000 1.039 585 S CA 1.415 59.589 58.200 -0.043 0.000 1.033 585 S CB -0.625 62.545 63.200 -0.051 0.000 0.887 585 S HN 0.446 nan 8.310 nan 0.000 0.447 586 V N 1.199 121.079 119.914 -0.057 0.000 2.548 586 V HA -0.057 4.063 4.120 -0.000 0.000 0.249 586 V C 2.008 178.070 176.094 -0.052 0.000 1.055 586 V CA 1.110 63.379 62.300 -0.052 0.000 1.065 586 V CB -0.503 31.283 31.823 -0.062 0.000 0.681 586 V HN 0.316 nan 8.190 nan 0.000 0.462 587 L N 0.535 121.720 121.223 -0.063 0.000 2.313 587 L HA -0.052 4.288 4.340 -0.000 0.000 0.214 587 L C 2.318 179.165 176.870 -0.038 0.000 1.119 587 L CA 1.677 56.483 54.840 -0.057 0.000 0.809 587 L CB -0.709 41.308 42.059 -0.070 0.000 0.933 587 L HN 0.502 nan 8.230 nan 0.000 0.449 588 K N -1.373 119.008 120.400 -0.032 0.000 2.400 588 K HA 0.045 4.365 4.320 -0.000 0.000 0.194 588 K C 1.501 178.090 176.600 -0.018 0.000 1.033 588 K CA 0.849 57.123 56.287 -0.022 0.000 1.021 588 K CB -0.204 32.285 32.500 -0.018 0.000 0.808 588 K HN 0.200 nan 8.250 nan 0.000 0.505 589 S N 0.433 116.121 115.700 -0.020 0.000 2.851 589 S HA -0.012 4.458 4.470 -0.000 0.000 0.227 589 S C 0.423 175.016 174.600 -0.013 0.000 0.958 589 S CA 0.329 58.521 58.200 -0.015 0.000 0.990 589 S CB -0.577 62.614 63.200 -0.015 0.000 0.790 589 S HN 0.689 nan 8.310 nan 0.000 0.509 590 E N -0.494 119.697 120.200 -0.014 0.000 3.222 590 E HA 0.614 4.964 4.350 -0.000 0.000 0.263 590 E C -0.286 176.307 176.600 -0.012 0.000 1.153 590 E CA -0.368 56.025 56.400 -0.011 0.000 1.762 590 E CB 0.021 29.714 29.700 -0.013 0.000 2.444 590 E HN 0.692 nan 8.360 nan 0.000 0.980 591 A N 0.148 122.958 122.820 -0.017 0.000 2.538 591 A HA 0.585 4.905 4.320 -0.000 0.000 0.306 591 A C -1.169 176.402 177.584 -0.022 0.000 0.999 591 A CA 0.001 52.028 52.037 -0.016 0.000 0.829 591 A CB 1.122 20.116 19.000 -0.009 0.000 1.143 591 A HN 0.484 nan 8.150 nan 0.000 0.378 592 T N 1.023 115.563 114.554 -0.024 0.000 3.033 592 T HA 0.756 5.106 4.350 -0.000 0.000 0.362 592 T C -0.281 174.405 174.700 -0.023 0.000 1.723 592 T CA 0.063 62.145 62.100 -0.029 0.000 1.110 592 T CB 1.652 70.493 68.868 -0.044 0.000 1.515 592 T HN 1.351 nan 8.240 nan 0.000 0.484 593 T N -0.201 114.341 114.554 -0.020 0.000 2.584 593 T HA 0.883 5.233 4.350 -0.000 0.000 0.273 593 T C 0.433 175.128 174.700 -0.009 0.000 0.978 593 T CA 0.097 62.190 62.100 -0.012 0.000 1.159 593 T CB 1.098 69.961 68.868 -0.008 0.000 1.556 593 T HN 1.183 nan 8.240 nan 0.000 0.472 594 S N -0.948 114.751 115.700 -0.003 0.000 4.122 594 S HA -0.257 4.213 4.470 -0.000 0.000 0.626 594 S C 1.561 176.167 174.600 0.010 0.000 1.919 594 S CA 1.435 59.636 58.200 0.001 0.000 4.206 594 S CB -1.715 61.484 63.200 -0.002 0.000 0.206 594 S HN 1.113 nan 8.310 nan 0.000 0.522 595 V N 3.758 123.681 119.914 0.015 0.000 2.439 595 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 595 V C 2.270 178.393 176.094 0.048 0.000 1.074 595 V CA 2.774 65.094 62.300 0.033 0.000 1.076 595 V CB -1.296 30.553 31.823 0.044 0.000 0.664 595 V HN 0.604 nan 8.190 nan 0.000 0.461 596 I N -0.023 120.568 120.570 0.033 0.000 2.091 596 I HA -0.325 3.845 4.170 -0.000 0.000 0.239 596 I C 2.600 178.742 176.117 0.042 0.000 1.061 596 I CA 2.353 63.676 61.300 0.039 0.000 1.317 596 I CB -0.702 37.299 38.000 0.002 0.000 1.031 596 I HN 0.247 nan 8.210 nan 0.000 0.401 597 K N 1.121 121.533 120.400 0.020 0.000 2.009 597 K HA -0.279 4.041 4.320 -0.000 0.000 0.210 597 K C 2.260 178.868 176.600 0.013 0.000 1.049 597 K CA 2.037 58.332 56.287 0.013 0.000 0.929 597 K CB -0.232 32.271 32.500 0.005 0.000 0.714 597 K HN 0.335 nan 8.250 nan 0.000 0.440 598 E N 0.597 120.805 120.200 0.014 0.000 2.160 598 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 598 E C 1.362 177.961 176.600 -0.002 0.000 0.991 598 E CA 1.125 57.529 56.400 0.006 0.000 0.810 598 E CB 0.053 29.759 29.700 0.010 0.000 0.742 598 E HN 0.404 nan 8.360 nan 0.000 0.466 599 L N 0.438 121.673 121.223 0.021 0.000 2.769 599 L HA 0.310 4.650 4.340 -0.000 0.000 0.240 599 L C 1.177 178.059 176.870 0.020 0.000 1.163 599 L CA -0.173 54.665 54.840 -0.004 0.000 0.962 599 L CB 0.563 42.660 42.059 0.062 0.000 1.258 599 L HN 0.005 nan 8.230 nan 0.000 0.513 600 G N -0.359 108.461 108.800 0.034 0.000 2.588 600 G HA2 0.173 4.133 3.960 -0.000 0.000 0.281 600 G HA3 0.173 4.133 3.960 -0.000 0.000 0.281 600 G C 0.062 174.967 174.900 0.010 0.000 1.236 600 G CA -0.477 44.648 45.100 0.042 0.000 0.969 600 G HN 0.038 nan 8.290 nan 0.000 0.504 615 P HA -0.142 nan 4.420 nan 0.000 0.247 615 P C 0.917 178.226 177.300 0.015 0.000 1.073 615 P CA 1.878 64.985 63.100 0.012 0.000 0.773 615 P CB 0.068 31.773 31.700 0.007 0.000 0.653 616 G N 1.772 110.583 108.800 0.018 0.000 2.309 616 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.286 616 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.286 616 G C 0.021 174.933 174.900 0.021 0.000 1.002 616 G CA 0.366 45.478 45.100 0.019 0.000 0.786 616 G HN 0.550 nan 8.290 nan 0.000 0.511 617 L N -0.821 120.415 121.223 0.023 0.000 2.362 617 L HA 0.589 4.929 4.340 -0.000 0.000 0.271 617 L C 0.838 177.725 176.870 0.029 0.000 1.002 617 L CA -1.239 53.616 54.840 0.024 0.000 0.818 617 L CB 1.763 43.834 42.059 0.020 0.000 1.298 617 L HN -0.046 nan 8.230 nan 0.000 0.420 618 L N 1.804 123.046 121.223 0.031 0.000 2.453 618 L HA 0.472 4.812 4.340 -0.000 0.000 0.261 618 L C 0.531 177.422 176.870 0.034 0.000 1.179 618 L CA -0.178 54.684 54.840 0.037 0.000 0.813 618 L CB 1.148 43.231 42.059 0.041 0.000 1.110 618 L HN 0.712 nan 8.230 nan 0.000 0.466 619 A N 1.308 124.150 122.820 0.037 0.000 2.295 619 A HA 0.522 4.842 4.320 -0.000 0.000 0.318 619 A C 0.538 178.141 177.584 0.031 0.000 1.134 619 A CA -0.372 51.684 52.037 0.032 0.000 0.827 619 A CB 1.196 20.215 19.000 0.033 0.000 1.136 619 A HN 0.747 nan 8.150 nan 0.000 0.493 620 S N 0.001 115.716 115.700 0.025 0.000 2.505 620 S HA 0.335 4.805 4.470 -0.000 0.000 0.216 620 S C 0.251 174.862 174.600 0.019 0.000 1.018 620 S CA 0.291 58.505 58.200 0.024 0.000 0.911 620 S CB -0.111 63.101 63.200 0.020 0.000 0.818 620 S HN 0.586 nan 8.310 nan 0.000 0.497 621 I N 1.770 122.349 120.570 0.015 0.000 2.686 621 I HA 0.386 4.556 4.170 -0.000 0.000 0.295 621 I C -2.936 173.185 176.117 0.007 0.000 1.114 621 I CA -2.578 58.727 61.300 0.009 0.000 1.038 621 I CB 2.118 40.121 38.000 0.005 0.000 1.238 621 I HN -0.180 nan 8.210 nan 0.000 0.420 622 P HA 0.146 nan 4.420 nan 0.000 0.268 622 P C 0.091 177.390 177.300 -0.001 0.000 1.205 622 P CA -0.099 62.997 63.100 -0.006 0.000 0.771 622 P CB 0.544 32.228 31.700 -0.027 0.000 0.858 623 G N 2.304 111.110 108.800 0.011 0.000 2.606 623 G HA2 0.339 4.299 3.960 -0.000 0.000 0.252 623 G HA3 0.339 4.299 3.960 -0.000 0.000 0.252 623 G C -0.639 174.265 174.900 0.007 0.000 1.206 623 G CA -0.460 44.651 45.100 0.018 0.000 0.861 623 G HN 0.408 nan 8.290 nan 0.000 0.561 624 K N -0.257 120.146 120.400 0.004 0.000 2.435 624 K HA 0.397 4.717 4.320 -0.000 0.000 0.251 624 K C -0.905 175.692 176.600 -0.004 0.000 0.954 624 K CA -0.962 55.322 56.287 -0.006 0.000 0.820 624 K CB 2.379 34.871 32.500 -0.013 0.000 1.292 624 K HN 0.237 nan 8.250 nan 0.000 0.436 625 I N 2.189 122.751 120.570 -0.012 0.000 2.752 625 I HA -0.022 4.148 4.170 -0.000 0.000 0.287 625 I C 0.464 176.566 176.117 -0.025 0.000 1.188 625 I CA 0.656 61.945 61.300 -0.018 0.000 1.427 625 I CB 0.669 38.649 38.000 -0.032 0.000 1.365 625 I HN 0.692 nan 8.210 nan 0.000 0.585 626 A N 5.398 128.200 122.820 -0.031 0.000 2.445 626 A HA 0.477 4.797 4.320 -0.000 0.000 0.242 626 A C 1.389 178.955 177.584 -0.029 0.000 1.075 626 A CA 0.216 52.235 52.037 -0.030 0.000 0.777 626 A CB 0.040 19.019 19.000 -0.035 0.000 1.013 626 A HN 0.987 nan 8.150 nan 0.000 0.493 627 A N 1.991 124.797 122.820 -0.023 0.000 1.940 627 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 627 A C 2.195 179.765 177.584 -0.023 0.000 1.176 627 A CA 1.748 53.773 52.037 -0.021 0.000 0.631 627 A CB -0.451 18.539 19.000 -0.017 0.000 0.814 627 A HN 0.899 nan 8.150 nan 0.000 0.446 628 R N -0.630 119.855 120.500 -0.025 0.000 2.083 628 R HA -0.107 4.233 4.340 -0.000 0.000 0.237 628 R C 2.056 178.338 176.300 -0.030 0.000 1.137 628 R CA 1.528 57.612 56.100 -0.025 0.000 0.951 628 R CB -0.893 29.392 30.300 -0.026 0.000 0.851 628 R HN 0.399 nan 8.270 nan 0.000 0.434 629 V N 1.217 121.109 119.914 -0.036 0.000 2.252 629 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 629 V C 2.486 178.555 176.094 -0.042 0.000 1.056 629 V CA 2.000 64.275 62.300 -0.042 0.000 1.022 629 V CB -0.583 31.210 31.823 -0.049 0.000 0.641 629 V HN 0.317 nan 8.190 nan 0.000 0.445 630 R N -0.433 120.043 120.500 -0.040 0.000 2.073 630 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 630 R C 2.435 178.718 176.300 -0.029 0.000 1.134 630 R CA 1.512 57.589 56.100 -0.038 0.000 0.952 630 R CB -0.590 29.689 30.300 -0.034 0.000 0.850 630 R HN 0.545 nan 8.270 nan 0.000 0.433 631 A N 0.733 123.538 122.820 -0.024 0.000 1.940 631 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 631 A C 2.080 179.653 177.584 -0.018 0.000 1.176 631 A CA 1.744 53.770 52.037 -0.018 0.000 0.631 631 A CB -0.459 18.531 19.000 -0.016 0.000 0.814 631 A HN 0.234 nan 8.150 nan 0.000 0.446 632 R N -0.306 120.181 120.500 -0.022 0.000 2.073 632 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 632 R C 2.377 178.665 176.300 -0.021 0.000 1.134 632 R CA 1.696 57.783 56.100 -0.021 0.000 0.952 632 R CB -0.311 29.974 30.300 -0.026 0.000 0.850 632 R HN 0.502 nan 8.270 nan 0.000 0.433 633 R N 0.221 120.704 120.500 -0.028 0.000 2.096 633 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 633 R C 1.521 177.811 176.300 -0.017 0.000 1.127 633 R CA 1.568 57.651 56.100 -0.028 0.000 0.968 633 R CB -0.311 29.962 30.300 -0.045 0.000 0.861 633 R HN 0.380 nan 8.270 nan 0.000 0.440 634 D N 0.098 120.489 120.400 -0.015 0.000 2.123 634 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 634 D C 1.877 178.175 176.300 -0.004 0.000 0.976 634 D CA 0.787 54.783 54.000 -0.007 0.000 0.831 634 D CB -0.203 40.594 40.800 -0.005 0.000 0.974 634 D HN 0.132 nan 8.370 nan 0.000 0.469 635 R N 0.760 121.256 120.500 -0.007 0.000 2.083 635 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 635 R C 2.320 178.617 176.300 -0.004 0.000 1.137 635 R CA 1.263 57.359 56.100 -0.005 0.000 0.951 635 R CB 0.140 30.436 30.300 -0.008 0.000 0.851 635 R HN 0.111 nan 8.270 nan 0.000 0.434 636 R N -0.424 120.073 120.500 -0.005 0.000 2.070 636 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 636 R C 2.481 178.781 176.300 0.001 0.000 1.138 636 R CA 1.660 57.759 56.100 -0.003 0.000 0.936 636 R CB -0.479 29.819 30.300 -0.004 0.000 0.839 636 R HN 0.173 nan 8.270 nan 0.000 0.429 637 R N 0.594 121.095 120.500 0.002 0.000 2.140 637 R HA -0.243 4.097 4.340 -0.000 0.000 0.250 637 R C 2.201 178.504 176.300 0.006 0.000 1.150 637 R CA 1.889 57.994 56.100 0.007 0.000 0.966 637 R CB -0.330 29.976 30.300 0.010 0.000 0.869 637 R HN 0.311 nan 8.270 nan 0.000 0.445 638 A N 0.306 123.129 122.820 0.004 0.000 1.835 638 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 638 A C 2.372 179.957 177.584 0.002 0.000 1.199 638 A CA 1.753 53.792 52.037 0.004 0.000 0.615 638 A CB -1.175 17.826 19.000 0.002 0.000 0.838 638 A HN 0.519 nan 8.150 nan 0.000 0.444 639 A N -0.286 122.534 122.820 0.001 0.000 1.948 639 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 639 A C 2.121 179.706 177.584 0.000 0.000 1.177 639 A CA 1.827 53.864 52.037 -0.000 0.000 0.636 639 A CB -0.605 18.394 19.000 -0.001 0.000 0.815 639 A HN 0.563 nan 8.150 nan 0.000 0.449 640 R N -0.817 119.684 120.500 0.001 0.000 2.455 640 R HA -0.076 4.264 4.340 -0.000 0.000 0.211 640 R C -0.392 175.909 176.300 0.000 0.000 1.143 640 R CA 1.257 57.358 56.100 0.002 0.000 1.110 640 R CB -0.631 29.672 30.300 0.004 0.000 0.819 640 R HN 0.686 nan 8.270 nan 0.000 0.485 641 M N 0.000 119.600 119.600 -0.001 0.000 2.572 641 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 641 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 641 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 641 M HN 0.000 nan 8.290 nan 0.000 0.411