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 2jgd_1_A DATA FIRST_RESID 84 DATA SEQUENCE DTNVKQVKVL QLINAYRFRG HQHANLDPLG LWQQDXXXDL DPSFHDLTEX DATA SEQUENCE DFQETFNVGS FAXXXETMKL GELLEALKQT YCGPIGAEYM HITSTEEKRW DATA SEQUENCE IQQRIESXRA TFNSEEKKRF LSELTAAEGL ERYLGAKFPG XXRFSLEGGD DATA SEQUENCE ALIPMLKEMI RHAGNSGTRE VVLGMAHRGR LNVLVNVLGK KPQDLFDEFA DATA SEQUENCE GKHXXHLGTG DVKYHMGFSS DFQTDGGLVH LALAFNPSHL EIVSPVVIGS DATA SEQUENCE VRARLDRLDE PSSNKVLPIT IHGDAAVTGQ GVVQETLNMS KARGYEVGGT DATA SEQUENCE VRIVINNQXX XXXXXXXXXX XXXYCTDIGK MVQAPIFHVN ADDPEAVAFV DATA SEQUENCE TRLALDFRNT FKRDVFIDLV CYRRHXXXXX XXXXXXQPLM YQKIKKHPTP DATA SEQUENCE RKIYADKLEQ EKVATLEDAT EMVNLYRDAL DAGDCVVAEW RPMNMHSFTW DATA SEQUENCE SPYLNHEWDE EYPNKVEMKR LQELAKRIST VPEAVEMQSR VAKIYGDRQA DATA SEQUENCE MAAGEKLFDW GGAENLAYAT LVDEGIPVRL SGEDSGRGTF FHRHAVIHNQ DATA SEQUENCE SNGSTYTPLQ HIHNGQGAFR VWDSVLSEEA VLAFEYGYAT AEPRTLTIWE DATA SEQUENCE AQFGDFANGA QVVIDQFISS GEQKWGRMCG LVMLLPHGYE GQGPEHSSAR DATA SEQUENCE LERYLQLCAE QNMQVCVPST PAQVYHMLRR QALRGMRRPL VVMSPKSLLR DATA SEQUENCE HPLAVSSLEE LANGTFLPAI GEIDELDPKG VKRVVMCSGK VYYDLLEQRR DATA SEQUENCE KNNQHDVAIV RIEQLYPFPH KAMQEVLQQF AHVKDFVWCQ EEPLNQGAWY DATA SEQUENCE CSQHHFREVI PFGASLRYAG RPASASPAVG HMSVHQKQQQ DLVNDALNVE 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 84 D HA 0.000 nan 4.640 nan 0.000 0.175 84 D C 0.000 176.321 176.300 0.035 0.000 2.045 84 D CA 0.000 54.011 54.000 0.018 0.000 0.868 84 D CB 0.000 40.805 40.800 0.008 0.000 0.688 85 T N 0.010 114.583 114.554 0.032 0.000 3.031 85 T HA 0.062 4.409 4.350 -0.004 0.000 0.254 85 T C 1.803 176.552 174.700 0.081 0.000 1.060 85 T CA 1.225 63.357 62.100 0.054 0.000 1.135 85 T CB -0.376 68.486 68.868 -0.010 0.000 0.896 85 T HN 0.398 nan 8.240 nan 0.000 0.472 86 N N 1.499 120.228 118.700 0.048 0.000 2.036 86 N HA -0.123 4.615 4.740 -0.004 0.000 0.199 86 N C 1.801 177.349 175.510 0.062 0.000 1.036 86 N CA 1.112 54.193 53.050 0.051 0.000 0.870 86 N CB -0.885 37.620 38.487 0.029 0.000 1.055 86 N HN 0.148 nan 8.380 nan 0.000 0.436 87 V N 0.855 120.797 119.914 0.047 0.000 2.515 87 V HA -0.173 3.944 4.120 -0.004 0.000 0.250 87 V C 2.101 178.218 176.094 0.037 0.000 1.058 87 V CA 1.453 63.772 62.300 0.031 0.000 1.064 87 V CB -0.283 31.550 31.823 0.016 0.000 0.675 87 V HN 0.337 nan 8.190 nan 0.000 0.461 88 K N -0.434 120.016 120.400 0.084 0.000 2.103 88 K HA -0.210 4.108 4.320 -0.004 0.000 0.204 88 K C 2.231 178.879 176.600 0.080 0.000 1.052 88 K CA 1.307 57.654 56.287 0.100 0.000 0.945 88 K CB -0.167 32.470 32.500 0.228 0.000 0.722 88 K HN 0.324 nan 8.250 nan 0.000 0.443 89 Q N 1.024 120.964 119.800 0.233 0.000 2.135 89 Q HA -0.136 4.202 4.340 -0.004 0.000 0.204 89 Q C 1.739 177.756 176.000 0.029 0.000 0.981 89 Q CA 1.592 57.521 55.803 0.209 0.000 0.856 89 Q CB -0.192 28.697 28.738 0.252 0.000 0.902 89 Q HN 0.078 nan 8.270 nan 0.000 0.425 90 V N 0.665 120.592 119.914 0.022 0.000 2.626 90 V HA -0.187 3.931 4.120 -0.004 0.000 0.252 90 V C 2.062 178.126 176.094 -0.051 0.000 1.067 90 V CA 1.728 64.023 62.300 -0.008 0.000 1.081 90 V CB -0.454 31.367 31.823 -0.003 0.000 0.686 90 V HN 0.244 nan 8.190 nan 0.000 0.468 91 K N -0.084 120.268 120.400 -0.080 0.000 2.167 91 K HA 0.038 4.356 4.320 -0.004 0.000 0.203 91 K C 2.062 178.563 176.600 -0.165 0.000 1.052 91 K CA 0.777 56.994 56.287 -0.116 0.000 0.956 91 K CB -0.545 31.882 32.500 -0.120 0.000 0.735 91 K HN 0.399 nan 8.250 nan 0.000 0.451 92 V N 1.875 121.639 119.914 -0.250 0.000 2.358 92 V HA -0.202 3.916 4.120 -0.004 0.000 0.246 92 V C 2.396 178.379 176.094 -0.186 0.000 1.047 92 V CA 1.155 63.265 62.300 -0.316 0.000 1.035 92 V CB -0.404 31.082 31.823 -0.562 0.000 0.658 92 V HN 0.162 nan 8.190 nan 0.000 0.452 93 L N -0.040 121.114 121.223 -0.115 0.000 2.013 93 L HA -0.269 4.069 4.340 -0.004 0.000 0.212 93 L C 2.629 179.478 176.870 -0.036 0.000 1.073 93 L CA 2.172 56.982 54.840 -0.050 0.000 0.753 93 L CB -1.371 40.682 42.059 -0.010 0.000 0.890 93 L HN 0.487 nan 8.230 nan 0.000 0.432 94 Q N -0.920 118.851 119.800 -0.049 0.000 2.170 94 Q HA -0.228 4.110 4.340 -0.004 0.000 0.203 94 Q C 2.190 178.177 176.000 -0.022 0.000 0.976 94 Q CA 1.199 56.980 55.803 -0.037 0.000 0.858 94 Q CB -0.101 28.602 28.738 -0.057 0.000 0.907 94 Q HN 0.384 nan 8.270 nan 0.000 0.433 95 L N 0.092 121.287 121.223 -0.047 0.000 2.068 95 L HA -0.071 4.266 4.340 -0.004 0.000 0.204 95 L C 1.959 178.849 176.870 0.033 0.000 1.076 95 L CA 1.222 56.058 54.840 -0.006 0.000 0.753 95 L CB -0.173 41.839 42.059 -0.077 0.000 0.910 95 L HN 0.119 nan 8.230 nan 0.000 0.439 96 I N 0.326 120.852 120.570 -0.073 0.000 2.118 96 I HA -0.401 3.767 4.170 -0.004 0.000 0.241 96 I C 2.469 178.610 176.117 0.040 0.000 1.070 96 I CA 2.050 63.300 61.300 -0.083 0.000 1.327 96 I CB -0.727 37.199 38.000 -0.122 0.000 1.034 96 I HN 0.508 nan 8.210 nan 0.000 0.405 97 N N 0.756 119.495 118.700 0.065 0.000 2.091 97 N HA -0.243 4.495 4.740 -0.004 0.000 0.193 97 N C 1.856 177.472 175.510 0.177 0.000 1.021 97 N CA 1.766 54.901 53.050 0.141 0.000 0.862 97 N CB 0.034 38.591 38.487 0.117 0.000 1.018 97 N HN 0.408 nan 8.380 nan 0.000 0.429 98 A N -0.132 122.743 122.820 0.092 0.000 1.929 98 A HA -0.112 4.206 4.320 -0.004 0.000 0.216 98 A C 1.824 179.360 177.584 -0.080 0.000 1.176 98 A CA 0.821 52.867 52.037 0.016 0.000 0.628 98 A CB -0.821 18.159 19.000 -0.033 0.000 0.816 98 A HN 0.400 nan 8.150 nan 0.000 0.444 99 Y N 0.121 120.349 120.300 -0.121 0.000 2.128 99 Y HA -0.221 4.327 4.550 -0.003 0.000 0.284 99 Y C 2.681 178.325 175.900 -0.427 0.000 1.154 99 Y CA 2.013 59.987 58.100 -0.211 0.000 1.149 99 Y CB -0.328 38.015 38.460 -0.195 0.000 0.976 99 Y HN 0.238 nan 8.280 nan 0.000 0.505 100 R N -1.128 119.160 120.500 -0.353 0.000 2.080 100 R HA -0.200 4.138 4.340 -0.004 0.000 0.236 100 R C 2.121 178.245 176.300 -0.294 0.000 1.137 100 R CA 2.068 57.867 56.100 -0.500 0.000 0.943 100 R CB -0.801 29.343 30.300 -0.260 0.000 0.846 100 R HN 0.251 nan 8.270 nan 0.000 0.431 101 F N -0.086 119.754 119.950 -0.183 0.000 2.113 101 F HA -0.113 4.412 4.527 -0.002 0.000 0.297 101 F C 2.086 177.893 175.800 0.010 0.000 1.103 101 F CA 1.539 59.483 58.000 -0.092 0.000 1.248 101 F CB 0.133 39.078 39.000 -0.092 0.000 0.999 101 F HN -0.095 nan 8.300 nan 0.000 0.475 102 R N -1.628 118.883 120.500 0.019 0.000 2.544 102 R HA 0.188 4.526 4.340 -0.004 0.000 0.303 102 R C 2.116 178.170 176.300 -0.411 0.000 0.939 102 R CA 0.460 56.389 56.100 -0.285 0.000 1.102 102 R CB -0.149 30.019 30.300 -0.220 0.000 1.440 102 R HN 0.237 nan 8.270 nan 0.000 0.532 103 G N 1.809 110.447 108.800 -0.270 0.000 2.606 103 G HA2 -0.386 3.572 3.960 -0.004 0.000 0.223 103 G HA3 -0.386 3.572 3.960 -0.004 0.000 0.223 103 G C 1.191 176.116 174.900 0.041 0.000 1.106 103 G CA 1.922 46.939 45.100 -0.138 0.000 0.745 103 G HN 0.595 nan 8.290 nan 0.000 0.597 104 H N -1.155 118.000 119.070 0.142 0.000 2.423 104 H HA 0.121 4.675 4.556 -0.003 0.000 0.297 104 H C 2.283 177.654 175.328 0.072 0.000 1.075 104 H CA 1.300 57.439 56.048 0.151 0.000 1.342 104 H CB -0.402 29.457 29.762 0.162 0.000 1.395 104 H HN 0.442 nan 8.280 nan 0.000 0.530 105 Q N -0.205 119.391 119.800 -0.340 0.000 2.488 105 Q HA -0.048 4.290 4.340 -0.004 0.000 0.211 105 Q C 0.565 176.593 176.000 0.045 0.000 0.967 105 Q CA 0.722 56.444 55.803 -0.135 0.000 0.926 105 Q CB 0.232 28.841 28.738 -0.216 0.000 0.992 105 Q HN 0.692 nan 8.270 nan 0.000 0.506 106 H N -1.125 117.882 119.070 -0.105 0.000 2.512 106 H HA 0.403 4.956 4.556 -0.004 0.000 0.276 106 H C -0.608 174.733 175.328 0.023 0.000 1.126 106 H CA -0.304 55.717 56.048 -0.044 0.000 1.060 106 H CB 0.491 30.218 29.762 -0.058 0.000 1.646 106 H HN 0.122 nan 8.280 nan 0.000 0.571 107 A N 0.536 123.436 122.820 0.133 0.000 2.316 107 A HA 0.209 4.527 4.320 -0.004 0.000 0.284 107 A C 0.567 178.209 177.584 0.096 0.000 1.115 107 A CA -0.613 51.509 52.037 0.142 0.000 0.812 107 A CB 0.232 19.340 19.000 0.180 0.000 1.064 107 A HN 0.380 nan 8.150 nan 0.000 0.489 108 N N 2.204 120.962 118.700 0.097 0.000 3.027 108 N HA 0.103 4.841 4.740 -0.004 0.000 0.309 108 N C 0.476 176.037 175.510 0.085 0.000 1.222 108 N CA 0.206 53.301 53.050 0.076 0.000 1.187 108 N CB -0.692 37.840 38.487 0.075 0.000 1.458 108 N HN 0.640 nan 8.380 nan 0.000 0.535 109 L N -0.770 120.504 121.223 0.084 0.000 2.130 109 L HA 0.109 4.447 4.340 -0.004 0.000 0.200 109 L C 0.744 177.671 176.870 0.094 0.000 1.075 109 L CA 0.335 55.237 54.840 0.104 0.000 0.768 109 L CB -0.341 41.786 42.059 0.114 0.000 0.933 109 L HN 0.296 nan 8.230 nan 0.000 0.451 110 D N 0.730 121.172 120.400 0.070 0.000 2.434 110 D HA 0.006 4.644 4.640 -0.004 0.000 0.252 110 D C -1.741 174.582 176.300 0.040 0.000 1.185 110 D CA -1.563 52.471 54.000 0.057 0.000 0.886 110 D CB 1.495 42.308 40.800 0.021 0.000 1.148 110 D HN -0.053 nan 8.370 nan 0.000 0.483 111 P HA -0.020 nan 4.420 nan 0.000 0.226 111 P C 1.309 178.502 177.300 -0.179 0.000 1.153 111 P CA 0.687 63.827 63.100 0.067 0.000 0.777 111 P CB 0.274 32.110 31.700 0.227 0.000 0.794 112 L N -2.385 118.678 121.223 -0.267 0.000 2.307 112 L HA 0.222 4.560 4.340 -0.004 0.000 0.211 112 L C 1.551 178.305 176.870 -0.194 0.000 1.099 112 L CA 0.760 55.355 54.840 -0.409 0.000 0.816 112 L CB -1.098 40.748 42.059 -0.356 0.000 0.952 112 L HN 0.073 nan 8.230 nan 0.000 0.455 113 G N 0.803 109.545 108.800 -0.097 0.000 2.198 113 G HA2 -0.274 3.683 3.960 -0.004 0.000 0.260 113 G HA3 -0.274 3.683 3.960 -0.004 0.000 0.260 113 G C 0.592 175.456 174.900 -0.059 0.000 1.025 113 G CA 0.437 45.505 45.100 -0.053 0.000 0.769 113 G HN 0.365 nan 8.290 nan 0.000 0.507 114 L N -2.167 119.014 121.223 -0.070 0.000 2.693 114 L HA 0.352 4.689 4.340 -0.004 0.000 0.235 114 L C 2.174 179.014 176.870 -0.051 0.000 1.127 114 L CA -0.002 54.801 54.840 -0.061 0.000 0.914 114 L CB -0.499 41.519 42.059 -0.068 0.000 1.193 114 L HN 0.492 nan 8.230 nan 0.000 0.502 115 W N 1.536 122.809 121.300 -0.045 0.000 2.193 115 W HA 0.481 5.139 4.660 -0.004 0.000 0.338 115 W C 0.438 176.916 176.519 -0.069 0.000 1.310 115 W CA -0.064 57.252 57.345 -0.049 0.000 1.243 115 W CB -0.426 29.015 29.460 -0.032 0.000 1.165 115 W HN 0.286 nan 8.180 nan 0.000 0.566 116 Q N 2.667 122.418 119.800 -0.083 0.000 2.466 116 Q HA 0.451 4.789 4.340 -0.004 0.000 0.242 116 Q C -0.176 175.750 176.000 -0.123 0.000 1.046 116 Q CA -0.532 55.214 55.803 -0.094 0.000 0.841 116 Q CB 0.214 28.903 28.738 -0.081 0.000 1.193 116 Q HN 0.847 nan 8.270 nan 0.000 0.508 117 Q N 1.286 120.988 119.800 -0.163 0.000 2.296 117 Q HA 0.465 4.803 4.340 -0.004 0.000 0.263 117 Q C 0.219 176.079 176.000 -0.233 0.000 1.026 117 Q CA 0.480 56.137 55.803 -0.243 0.000 0.912 117 Q CB 0.743 29.235 28.738 -0.409 0.000 1.198 117 Q HN 0.870 nan 8.270 nan 0.000 0.407 123 L N 0.454 121.462 121.223 -0.358 0.000 2.651 123 L HA 0.223 4.561 4.340 -0.004 0.000 0.236 123 L C 1.667 178.502 176.870 -0.058 0.000 1.173 123 L CA 2.859 57.600 54.840 -0.164 0.000 0.843 123 L CB -1.157 40.833 42.059 -0.115 0.000 0.964 123 L HN 0.518 nan 8.230 nan 0.000 0.454 124 D N -1.778 118.516 120.400 -0.177 0.000 2.392 124 D HA 0.149 4.787 4.640 -0.004 0.000 0.206 124 D C -1.935 174.387 176.300 0.037 0.000 1.046 124 D CA 0.159 54.015 54.000 -0.240 0.000 0.865 124 D CB 0.002 40.447 40.800 -0.592 0.000 0.969 124 D HN 0.594 nan 8.370 nan 0.000 0.509 125 P HA 0.267 nan 4.420 nan 0.000 0.300 125 P C 0.784 178.191 177.300 0.177 0.000 1.326 125 P CA -0.153 63.056 63.100 0.181 0.000 0.844 125 P CB 2.255 34.092 31.700 0.227 0.000 0.992 126 S N 2.088 117.843 115.700 0.092 0.000 2.408 126 S HA -0.248 4.220 4.470 -0.004 0.000 0.241 126 S C 1.458 175.995 174.600 -0.106 0.000 1.080 126 S CA 1.842 59.997 58.200 -0.075 0.000 1.109 126 S CB -1.175 61.908 63.200 -0.194 0.000 0.966 126 S HN 0.484 nan 8.310 nan 0.000 0.449 127 F N 0.828 120.835 119.950 0.094 0.000 2.202 127 F HA -0.135 4.390 4.527 -0.004 0.000 0.301 127 F C 2.420 178.257 175.800 0.062 0.000 1.082 127 F CA 1.531 59.569 58.000 0.064 0.000 1.313 127 F CB -0.682 38.355 39.000 0.062 0.000 1.024 127 F HN 0.437 nan 8.300 nan 0.000 0.495 128 H N -0.304 118.860 119.070 0.156 0.000 2.491 128 H HA -0.101 4.453 4.556 -0.004 0.000 0.290 128 H C 0.450 175.793 175.328 0.025 0.000 1.050 128 H CA 1.465 57.557 56.048 0.073 0.000 1.309 128 H CB 0.015 29.800 29.762 0.038 0.000 1.392 128 H HN 0.154 nan 8.280 nan 0.000 0.554 129 D N 0.818 121.143 120.400 -0.124 0.000 2.424 129 D HA 0.157 4.795 4.640 -0.004 0.000 0.220 129 D C 0.216 176.435 176.300 -0.135 0.000 1.150 129 D CA -0.139 53.746 54.000 -0.192 0.000 0.831 129 D CB 0.228 40.960 40.800 -0.113 0.000 0.981 129 D HN 0.349 nan 8.370 nan 0.000 0.500 130 L N 0.645 121.813 121.223 -0.092 0.000 3.425 130 L HA -0.212 4.126 4.340 -0.004 0.000 0.686 130 L C 0.151 176.953 176.870 -0.114 0.000 1.147 130 L CA 0.101 54.901 54.840 -0.066 0.000 1.187 130 L CB -2.257 39.768 42.059 -0.057 0.000 1.670 130 L HN 0.190 nan 8.230 nan 0.000 0.874 131 T N -3.415 111.007 114.554 -0.221 0.000 2.626 131 T HA 0.917 5.265 4.350 -0.004 0.000 0.299 131 T C -0.533 173.905 174.700 -0.436 0.000 1.181 131 T CA -0.015 61.938 62.100 -0.245 0.000 1.053 131 T CB 3.450 72.202 68.868 -0.193 0.000 1.566 131 T HN 0.230 nan 8.240 nan 0.000 0.486 135 F N 1.399 121.373 119.950 0.041 0.000 2.699 135 F HA 0.132 4.657 4.527 -0.004 0.000 0.298 135 F C 1.946 177.779 175.800 0.055 0.000 1.154 135 F CA 0.921 58.945 58.000 0.041 0.000 1.457 135 F CB -0.160 38.848 39.000 0.013 0.000 1.106 135 F HN -0.010 nan 8.300 nan 0.000 0.585 136 Q N -0.896 119.031 119.800 0.212 0.000 2.319 136 Q HA 0.031 4.369 4.340 -0.004 0.000 0.209 136 Q C 0.556 176.598 176.000 0.069 0.000 0.884 136 Q CA 0.058 55.933 55.803 0.120 0.000 0.938 136 Q CB 0.145 28.925 28.738 0.072 0.000 1.098 136 Q HN 0.008 nan 8.270 nan 0.000 0.517 137 E N 0.942 121.191 120.200 0.081 0.000 2.558 137 E HA 0.015 4.363 4.350 -0.004 0.000 0.255 137 E C -0.373 176.128 176.600 -0.165 0.000 0.968 137 E CA 0.201 56.548 56.400 -0.088 0.000 0.939 137 E CB 0.663 30.312 29.700 -0.085 0.000 0.921 137 E HN 0.158 nan 8.360 nan 0.000 0.477 138 T N 3.682 118.053 114.554 -0.305 0.000 2.806 138 T HA 0.533 4.881 4.350 -0.004 0.000 0.290 138 T C -0.630 173.817 174.700 -0.422 0.000 0.966 138 T CA -0.128 61.853 62.100 -0.197 0.000 1.060 138 T CB -0.010 68.796 68.868 -0.104 0.000 0.927 138 T HN 0.317 nan 8.240 nan 0.000 0.485 139 F N 2.055 122.007 119.950 0.003 0.000 2.577 139 F HA 0.430 4.955 4.527 -0.003 0.000 0.318 139 F C 0.514 176.319 175.800 0.008 0.000 1.065 139 F CA -1.318 56.683 58.000 0.001 0.000 0.929 139 F CB 1.338 40.331 39.000 -0.011 0.000 1.237 139 F HN 0.342 nan 8.300 nan 0.000 0.468 140 N N 0.554 119.387 118.700 0.222 0.000 2.492 140 N HA 0.257 4.995 4.740 -0.004 0.000 0.260 140 N C -0.106 175.489 175.510 0.142 0.000 1.215 140 N CA -0.032 53.109 53.050 0.152 0.000 0.923 140 N CB 1.269 39.826 38.487 0.116 0.000 1.092 140 N HN 0.506 nan 8.380 nan 0.000 0.448 141 V N 1.124 121.111 119.914 0.121 0.000 2.915 141 V HA 0.544 4.662 4.120 -0.004 0.000 0.364 141 V C 1.157 177.336 176.094 0.141 0.000 1.354 141 V CA 0.193 62.553 62.300 0.101 0.000 1.213 141 V CB -0.453 31.446 31.823 0.126 0.000 1.268 141 V HN 0.812 nan 8.190 nan 0.000 0.557 142 G N 2.476 111.346 108.800 0.117 0.000 2.652 142 G HA2 -0.404 3.554 3.960 -0.004 0.000 0.318 142 G HA3 -0.404 3.554 3.960 -0.004 0.000 0.318 142 G C 1.019 176.008 174.900 0.149 0.000 1.295 142 G CA 1.375 46.547 45.100 0.119 0.000 0.999 142 G HN 1.875 nan 8.290 nan 0.000 0.548 143 S N -0.287 115.513 115.700 0.166 0.000 2.660 143 S HA 0.427 4.895 4.470 -0.004 0.000 0.227 143 S C 0.509 175.226 174.600 0.195 0.000 0.948 143 S CA 0.484 58.779 58.200 0.158 0.000 0.948 143 S CB -0.135 63.151 63.200 0.142 0.000 0.779 143 S HN 1.044 nan 8.310 nan 0.000 0.487 144 F N 3.495 123.493 119.950 0.080 0.000 2.439 144 F HA 0.594 5.119 4.527 -0.003 0.000 0.356 144 F C 0.826 176.669 175.800 0.072 0.000 1.161 144 F CA -0.934 57.121 58.000 0.091 0.000 1.151 144 F CB -0.258 38.789 39.000 0.078 0.000 1.222 144 F HN 0.379 nan 8.300 nan 0.000 0.558 150 T N 0.641 115.241 114.554 0.076 0.000 2.841 150 T HA 0.738 5.086 4.350 -0.004 0.000 0.283 150 T C -0.976 173.773 174.700 0.082 0.000 1.000 150 T CA -0.240 61.907 62.100 0.079 0.000 0.977 150 T CB 0.622 69.520 68.868 0.050 0.000 0.979 150 T HN 0.370 nan 8.240 nan 0.000 0.446 151 M N 3.379 123.040 119.600 0.101 0.000 2.324 151 M HA 0.339 4.817 4.480 -0.004 0.000 0.288 151 M C -0.148 176.222 176.300 0.117 0.000 1.097 151 M CA -1.082 54.273 55.300 0.091 0.000 0.928 151 M CB 2.536 35.185 32.600 0.083 0.000 1.648 151 M HN 0.369 nan 8.290 nan 0.000 0.460 152 K N 1.270 121.722 120.400 0.088 0.000 2.559 152 K HA -0.038 4.280 4.320 -0.004 0.000 0.279 152 K C 0.797 177.474 176.600 0.128 0.000 0.967 152 K CA -0.268 56.086 56.287 0.111 0.000 1.000 152 K CB 0.297 32.841 32.500 0.073 0.000 0.890 152 K HN 0.634 nan 8.250 nan 0.000 0.501 153 L N 3.178 124.530 121.223 0.216 0.000 1.976 153 L HA 0.039 4.377 4.340 -0.004 0.000 0.209 153 L C 2.371 179.173 176.870 -0.114 0.000 1.071 153 L CA 2.666 57.568 54.840 0.104 0.000 0.746 153 L CB -1.674 40.520 42.059 0.226 0.000 0.890 153 L HN 0.844 nan 8.230 nan 0.000 0.432 154 G N -1.345 107.373 108.800 -0.136 0.000 2.479 154 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.220 154 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.220 154 G C 1.387 176.147 174.900 -0.234 0.000 1.115 154 G CA 0.954 45.811 45.100 -0.405 0.000 0.757 154 G HN 0.483 nan 8.290 nan 0.000 0.560 155 E N -0.360 119.776 120.200 -0.107 0.000 2.072 155 E HA -0.021 4.327 4.350 -0.004 0.000 0.190 155 E C 2.463 179.005 176.600 -0.097 0.000 0.982 155 E CA 0.795 57.154 56.400 -0.069 0.000 0.803 155 E CB -0.339 29.355 29.700 -0.010 0.000 0.755 155 E HN 0.461 nan 8.360 nan 0.000 0.453 156 L N 0.197 121.342 121.223 -0.129 0.000 2.017 156 L HA -0.070 4.268 4.340 -0.004 0.000 0.208 156 L C 2.347 179.033 176.870 -0.306 0.000 1.073 156 L CA 1.662 56.377 54.840 -0.208 0.000 0.745 156 L CB -0.493 41.410 42.059 -0.260 0.000 0.894 156 L HN 0.229 nan 8.230 nan 0.000 0.432 157 L N 0.194 121.207 121.223 -0.350 0.000 2.083 157 L HA -0.157 4.181 4.340 -0.004 0.000 0.209 157 L C 2.750 179.444 176.870 -0.294 0.000 1.083 157 L CA 2.324 56.915 54.840 -0.415 0.000 0.752 157 L CB -1.143 40.633 42.059 -0.470 0.000 0.899 157 L HN 0.505 nan 8.230 nan 0.000 0.433 158 E N -0.392 119.684 120.200 -0.206 0.000 2.026 158 E HA -0.301 4.047 4.350 -0.004 0.000 0.206 158 E C 2.244 178.804 176.600 -0.067 0.000 1.028 158 E CA 2.076 58.411 56.400 -0.109 0.000 0.845 158 E CB -1.530 28.127 29.700 -0.072 0.000 0.772 158 E HN 0.671 nan 8.360 nan 0.000 0.462 159 A N 0.210 123.008 122.820 -0.036 0.000 1.948 159 A HA -0.025 4.293 4.320 -0.004 0.000 0.220 159 A C 2.564 180.227 177.584 0.132 0.000 1.177 159 A CA 1.737 53.822 52.037 0.079 0.000 0.636 159 A CB -0.475 18.646 19.000 0.201 0.000 0.815 159 A HN 0.496 nan 8.150 nan 0.000 0.449 160 L N -1.150 120.054 121.223 -0.032 0.000 2.093 160 L HA -0.179 4.159 4.340 -0.004 0.000 0.208 160 L C 2.600 179.521 176.870 0.084 0.000 1.085 160 L CA 1.598 56.421 54.840 -0.029 0.000 0.755 160 L CB -0.385 41.314 42.059 -0.600 0.000 0.904 160 L HN 0.374 nan 8.230 nan 0.000 0.435 161 K N -0.677 119.712 120.400 -0.018 0.000 2.031 161 K HA -0.139 4.179 4.320 -0.004 0.000 0.205 161 K C 2.193 178.875 176.600 0.136 0.000 1.049 161 K CA 0.822 57.181 56.287 0.119 0.000 0.939 161 K CB -0.075 32.459 32.500 0.057 0.000 0.717 161 K HN 0.247 nan 8.250 nan 0.000 0.438 162 Q N 0.287 120.133 119.800 0.077 0.000 2.047 162 Q HA -0.207 4.131 4.340 -0.004 0.000 0.211 162 Q C 2.207 178.238 176.000 0.052 0.000 1.005 162 Q CA 2.210 58.044 55.803 0.051 0.000 0.866 162 Q CB -0.797 27.953 28.738 0.021 0.000 0.938 162 Q HN 0.329 nan 8.270 nan 0.000 0.414 163 T N -0.387 114.212 114.554 0.075 0.000 2.777 163 T HA -0.109 4.238 4.350 -0.004 0.000 0.266 163 T C 1.076 175.691 174.700 -0.141 0.000 1.040 163 T CA 1.239 63.290 62.100 -0.082 0.000 1.141 163 T CB -0.168 68.656 68.868 -0.074 0.000 0.868 163 T HN 0.309 nan 8.240 nan 0.000 0.444 164 Y N -1.448 118.985 120.300 0.222 0.000 2.500 164 Y HA 0.347 4.895 4.550 -0.003 0.000 0.246 164 Y C 1.414 177.463 175.900 0.249 0.000 1.146 164 Y CA -0.577 57.690 58.100 0.278 0.000 1.230 164 Y CB 0.776 39.456 38.460 0.368 0.000 1.214 164 Y HN 0.186 nan 8.280 nan 0.000 0.526 165 C N -1.223 118.265 119.300 0.313 0.000 4.095 165 C HA 0.417 4.874 4.460 -0.004 0.000 0.327 165 C C 1.845 176.941 174.990 0.176 0.000 1.811 165 C CA -0.100 59.073 59.018 0.258 0.000 1.785 165 C CB -0.671 27.248 27.740 0.298 0.000 3.120 165 C HN 0.610 nan 8.230 nan 0.000 0.621 166 G N 2.304 111.187 108.800 0.139 0.000 2.679 166 G HA2 0.217 4.175 3.960 -0.004 0.000 0.202 166 G HA3 0.217 4.175 3.960 -0.004 0.000 0.202 166 G C -1.138 173.823 174.900 0.102 0.000 1.566 166 G CA 0.216 45.373 45.100 0.097 0.000 1.074 166 G HN 0.178 nan 8.290 nan 0.000 0.564 167 P HA 0.149 nan 4.420 nan 0.000 0.241 167 P C 0.115 177.482 177.300 0.112 0.000 1.191 167 P CA 0.615 63.767 63.100 0.087 0.000 0.771 167 P CB 0.197 31.934 31.700 0.061 0.000 0.929 168 I N -0.337 120.306 120.570 0.121 0.000 2.433 168 I HA 0.482 4.650 4.170 -0.004 0.000 0.292 168 I C 0.484 176.745 176.117 0.240 0.000 1.001 168 I CA -0.841 60.564 61.300 0.175 0.000 1.119 168 I CB 2.223 40.307 38.000 0.140 0.000 1.289 168 I HN -0.215 nan 8.210 nan 0.000 0.438 169 G N 4.914 113.910 108.800 0.325 0.000 2.788 169 G HA2 0.631 4.589 3.960 -0.004 0.000 0.327 169 G HA3 0.631 4.589 3.960 -0.004 0.000 0.327 169 G C -0.452 174.735 174.900 0.479 0.000 1.249 169 G CA -0.391 44.954 45.100 0.408 0.000 1.063 169 G HN 0.731 nan 8.290 nan 0.000 0.497 170 A N 2.729 125.847 122.820 0.496 0.000 2.269 170 A HA 0.637 4.955 4.320 -0.004 0.000 0.302 170 A C 0.195 178.091 177.584 0.519 0.000 1.266 170 A CA -0.537 51.785 52.037 0.475 0.000 0.894 170 A CB 0.480 19.757 19.000 0.462 0.000 1.147 170 A HN 0.636 nan 8.150 nan 0.000 0.537 171 E N 3.104 123.431 120.200 0.212 0.000 2.207 171 E HA 0.471 4.819 4.350 -0.004 0.000 0.250 171 E C -1.111 175.624 176.600 0.227 0.000 0.890 171 E CA -0.596 55.818 56.400 0.024 0.000 0.749 171 E CB 0.583 29.914 29.700 -0.615 0.000 1.193 171 E HN 0.868 nan 8.360 nan 0.000 0.423 172 Y N 3.207 123.567 120.300 0.100 0.000 3.027 172 Y HA 0.270 4.819 4.550 -0.003 0.000 0.315 172 Y C -0.029 175.701 175.900 -0.284 0.000 0.943 172 Y CA -0.357 57.648 58.100 -0.158 0.000 1.173 172 Y CB 0.154 38.517 38.460 -0.162 0.000 1.426 172 Y HN 0.332 nan 8.280 nan 0.000 0.574 173 M N 1.960 121.125 119.600 -0.726 0.000 2.371 173 M HA 0.151 4.629 4.480 -0.004 0.000 0.246 173 M C 1.470 177.537 176.300 -0.388 0.000 1.103 173 M CA 0.432 55.181 55.300 -0.919 0.000 1.010 173 M CB -0.708 30.724 32.600 -1.948 0.000 1.457 173 M HN 0.567 nan 8.290 nan 0.000 0.486 174 H N 0.325 119.260 119.070 -0.225 0.000 2.428 174 H HA 0.165 4.719 4.556 -0.003 0.000 0.296 174 H C 0.875 176.182 175.328 -0.035 0.000 1.062 174 H CA 0.040 56.064 56.048 -0.041 0.000 1.350 174 H CB -0.861 28.885 29.762 -0.025 0.000 1.403 174 H HN 0.258 nan 8.280 nan 0.000 0.533 175 I N 3.868 124.131 120.570 -0.512 0.000 2.828 175 I HA -0.150 4.018 4.170 -0.004 0.000 0.292 175 I C 1.743 177.791 176.117 -0.115 0.000 1.206 175 I CA 0.824 61.952 61.300 -0.286 0.000 1.420 175 I CB 0.882 38.723 38.000 -0.265 0.000 1.368 175 I HN 0.368 nan 8.210 nan 0.000 0.556 176 T N 0.924 115.444 114.554 -0.057 0.000 2.985 176 T HA -0.091 4.257 4.350 -0.004 0.000 0.266 176 T C 1.132 175.820 174.700 -0.020 0.000 1.076 176 T CA 0.326 62.415 62.100 -0.018 0.000 1.135 176 T CB -0.029 68.839 68.868 0.001 0.000 0.890 176 T HN 0.559 nan 8.240 nan 0.000 0.480 177 S N 1.551 117.224 115.700 -0.046 0.000 2.506 177 S HA 0.110 4.578 4.470 -0.004 0.000 0.291 177 S C 1.292 175.875 174.600 -0.029 0.000 1.230 177 S CA -0.126 58.041 58.200 -0.056 0.000 1.107 177 S CB -0.046 63.076 63.200 -0.130 0.000 0.942 177 S HN 0.458 nan 8.310 nan 0.000 0.502 178 T N 4.846 119.404 114.554 0.007 0.000 2.665 178 T HA -0.115 4.233 4.350 -0.004 0.000 0.268 178 T C 1.562 176.302 174.700 0.067 0.000 1.035 178 T CA 1.523 63.650 62.100 0.044 0.000 1.151 178 T CB -0.249 68.651 68.868 0.053 0.000 0.862 178 T HN 0.656 nan 8.240 nan 0.000 0.438 179 E N 0.922 121.150 120.200 0.047 0.000 2.208 179 E HA -0.025 4.323 4.350 -0.004 0.000 0.193 179 E C 2.202 178.874 176.600 0.121 0.000 0.988 179 E CA 0.634 57.098 56.400 0.106 0.000 0.828 179 E CB -0.162 29.605 29.700 0.112 0.000 0.763 179 E HN 0.633 nan 8.360 nan 0.000 0.478 180 E N 0.960 121.097 120.200 -0.105 0.000 2.016 180 E HA -0.115 4.233 4.350 -0.004 0.000 0.190 180 E C 2.005 178.747 176.600 0.238 0.000 0.985 180 E CA 0.820 57.080 56.400 -0.233 0.000 0.802 180 E CB 0.006 29.421 29.700 -0.476 0.000 0.762 180 E HN 0.153 nan 8.360 nan 0.000 0.448 181 K N 0.760 121.284 120.400 0.206 0.000 2.015 181 K HA -0.257 4.060 4.320 -0.004 0.000 0.216 181 K C 2.315 179.120 176.600 0.340 0.000 1.052 181 K CA 1.584 58.074 56.287 0.338 0.000 0.937 181 K CB -0.341 32.304 32.500 0.242 0.000 0.719 181 K HN -0.010 nan 8.250 nan 0.000 0.446 182 R N 0.244 120.904 120.500 0.267 0.000 2.103 182 R HA -0.217 4.121 4.340 -0.004 0.000 0.242 182 R C 2.151 178.609 176.300 0.263 0.000 1.142 182 R CA 1.903 58.144 56.100 0.234 0.000 0.960 182 R CB -0.416 29.998 30.300 0.191 0.000 0.858 182 R HN 0.397 nan 8.270 nan 0.000 0.439 183 W N 1.006 122.411 121.300 0.175 0.000 2.317 183 W HA -0.251 4.407 4.660 -0.004 0.000 0.318 183 W C 1.736 178.368 176.519 0.189 0.000 1.227 183 W CA 2.086 59.566 57.345 0.224 0.000 1.269 183 W CB -0.405 29.309 29.460 0.423 0.000 1.155 183 W HN 0.079 nan 8.180 nan 0.000 0.484 184 I N 0.347 121.199 120.570 0.470 0.000 2.099 184 I HA -0.421 3.747 4.170 -0.004 0.000 0.239 184 I C 2.643 178.726 176.117 -0.056 0.000 1.066 184 I CA 2.102 63.508 61.300 0.177 0.000 1.324 184 I CB -1.005 37.050 38.000 0.091 0.000 1.037 184 I HN 0.095 nan 8.210 nan 0.000 0.401 185 Q N -0.014 119.806 119.800 0.032 0.000 2.118 185 Q HA -0.372 3.966 4.340 -0.004 0.000 0.211 185 Q C 2.207 178.168 176.000 -0.065 0.000 0.998 185 Q CA 2.301 58.136 55.803 0.054 0.000 0.872 185 Q CB -0.370 28.474 28.738 0.176 0.000 0.925 185 Q HN 0.413 nan 8.270 nan 0.000 0.414 186 Q N 0.457 120.206 119.800 -0.086 0.000 2.152 186 Q HA -0.175 4.163 4.340 -0.004 0.000 0.206 186 Q C 1.754 177.625 176.000 -0.215 0.000 0.985 186 Q CA 1.577 57.289 55.803 -0.153 0.000 0.863 186 Q CB 0.117 28.755 28.738 -0.166 0.000 0.904 186 Q HN 0.203 nan 8.270 nan 0.000 0.422 187 R N -0.217 120.115 120.500 -0.281 0.000 2.127 187 R HA 0.081 4.419 4.340 -0.004 0.000 0.217 187 R C 2.145 178.402 176.300 -0.071 0.000 1.074 187 R CA 1.326 57.263 56.100 -0.272 0.000 0.991 187 R CB -0.097 29.913 30.300 -0.483 0.000 0.895 187 R HN 0.586 nan 8.270 nan 0.000 0.450 188 I N -2.983 117.527 120.570 -0.100 0.000 4.187 188 I HA 0.217 4.385 4.170 -0.004 0.000 0.326 188 I C 0.977 176.965 176.117 -0.214 0.000 1.302 188 I CA 0.395 61.635 61.300 -0.101 0.000 1.196 188 I CB 0.271 38.196 38.000 -0.124 0.000 1.095 188 I HN -0.117 nan 8.210 nan 0.000 0.411 189 E N 1.977 122.041 120.200 -0.226 0.000 2.452 189 E HA 0.098 4.446 4.350 -0.004 0.000 0.197 189 E C 0.785 177.171 176.600 -0.356 0.000 1.022 189 E CA 0.077 56.268 56.400 -0.349 0.000 0.890 189 E CB 0.546 29.984 29.700 -0.436 0.000 0.918 189 E HN 0.592 nan 8.360 nan 0.000 0.496 193 A N 1.243 123.962 122.820 -0.168 0.000 2.406 193 A HA 0.641 4.958 4.320 -0.004 0.000 0.243 193 A C 1.015 178.456 177.584 -0.237 0.000 1.082 193 A CA 0.559 52.495 52.037 -0.168 0.000 0.786 193 A CB 0.110 19.024 19.000 -0.145 0.000 1.029 193 A HN 2.125 nan 8.150 nan 0.000 0.495 194 T N -0.100 114.363 114.554 -0.152 0.000 2.884 194 T HA 0.495 4.843 4.350 -0.004 0.000 0.298 194 T C -0.123 174.501 174.700 -0.127 0.000 0.998 194 T CA -0.297 61.739 62.100 -0.106 0.000 1.124 194 T CB -0.294 68.573 68.868 -0.001 0.000 0.931 194 T HN 0.265 nan 8.240 nan 0.000 0.531 195 F N 3.266 123.273 119.950 0.096 0.000 2.535 195 F HA 0.263 4.788 4.527 -0.004 0.000 0.332 195 F C 1.468 177.303 175.800 0.058 0.000 1.208 195 F CA -0.432 57.626 58.000 0.096 0.000 1.330 195 F CB 0.492 39.601 39.000 0.182 0.000 1.167 195 F HN 0.819 nan 8.300 nan 0.000 0.597 196 N N -0.829 118.012 118.700 0.235 0.000 2.518 196 N HA 0.153 4.891 4.740 -0.004 0.000 0.284 196 N C 0.638 176.201 175.510 0.089 0.000 1.230 196 N CA -0.190 52.931 53.050 0.119 0.000 0.941 196 N CB 0.699 39.230 38.487 0.073 0.000 1.219 196 N HN 0.541 nan 8.380 nan 0.000 0.560 197 S N -0.524 115.208 115.700 0.052 0.000 2.392 197 S HA -0.227 4.241 4.470 -0.004 0.000 0.232 197 S C 1.004 175.610 174.600 0.011 0.000 1.041 197 S CA 1.184 59.402 58.200 0.031 0.000 1.026 197 S CB -0.482 62.728 63.200 0.018 0.000 0.845 197 S HN 0.646 nan 8.310 nan 0.000 0.465 198 E N 1.199 121.399 120.200 -0.000 0.000 2.299 198 E HA 0.064 4.412 4.350 -0.004 0.000 0.193 198 E C 2.012 178.556 176.600 -0.092 0.000 0.998 198 E CA 0.776 57.158 56.400 -0.029 0.000 0.851 198 E CB -0.246 29.443 29.700 -0.018 0.000 0.795 198 E HN 0.797 nan 8.360 nan 0.000 0.492 199 E N 0.945 121.075 120.200 -0.116 0.000 2.086 199 E HA -0.044 4.304 4.350 -0.004 0.000 0.190 199 E C 1.960 178.204 176.600 -0.594 0.000 0.975 199 E CA 0.575 56.763 56.400 -0.353 0.000 0.813 199 E CB 0.096 29.669 29.700 -0.213 0.000 0.768 199 E HN 0.071 nan 8.360 nan 0.000 0.457 200 K N 1.267 121.562 120.400 -0.175 0.000 1.991 200 K HA -0.176 4.142 4.320 -0.004 0.000 0.212 200 K C 2.091 178.784 176.600 0.155 0.000 1.049 200 K CA 1.408 57.773 56.287 0.130 0.000 0.932 200 K CB -0.069 32.548 32.500 0.194 0.000 0.717 200 K HN -0.115 nan 8.250 nan 0.000 0.441 201 K N 0.425 120.852 120.400 0.045 0.000 2.173 201 K HA -0.203 4.115 4.320 -0.004 0.000 0.207 201 K C 2.197 178.822 176.600 0.042 0.000 1.046 201 K CA 1.394 57.711 56.287 0.050 0.000 0.929 201 K CB -0.025 32.481 32.500 0.009 0.000 0.720 201 K HN 0.106 nan 8.250 nan 0.000 0.453 202 R N 0.003 120.460 120.500 -0.071 0.000 2.062 202 R HA -0.086 4.252 4.340 -0.004 0.000 0.226 202 R C 1.802 178.090 176.300 -0.020 0.000 1.125 202 R CA 1.101 57.145 56.100 -0.094 0.000 0.966 202 R CB -0.255 29.929 30.300 -0.193 0.000 0.861 202 R HN 0.032 nan 8.270 nan 0.000 0.433 203 F N 1.739 121.662 119.950 -0.044 0.000 2.063 203 F HA -0.300 4.225 4.527 -0.003 0.000 0.297 203 F C 2.322 178.088 175.800 -0.057 0.000 1.099 203 F CA 1.379 59.307 58.000 -0.120 0.000 1.220 203 F CB -1.280 37.576 39.000 -0.240 0.000 0.972 203 F HN 0.140 nan 8.300 nan 0.000 0.487 204 L N -0.672 120.739 121.223 0.313 0.000 2.083 204 L HA -0.153 4.185 4.340 -0.004 0.000 0.209 204 L C 2.464 179.404 176.870 0.116 0.000 1.083 204 L CA 1.893 56.903 54.840 0.283 0.000 0.752 204 L CB -1.206 41.028 42.059 0.291 0.000 0.899 204 L HN 0.115 nan 8.230 nan 0.000 0.433 205 S N -0.667 115.081 115.700 0.080 0.000 2.383 205 S HA -0.161 4.306 4.470 -0.004 0.000 0.227 205 S C 1.774 176.362 174.600 -0.020 0.000 1.026 205 S CA 1.284 59.500 58.200 0.027 0.000 0.981 205 S CB -0.241 62.977 63.200 0.030 0.000 0.818 205 S HN 0.751 nan 8.310 nan 0.000 0.472 206 E N 0.738 120.941 120.200 0.005 0.000 2.158 206 E HA -0.033 4.314 4.350 -0.004 0.000 0.191 206 E C 2.053 178.609 176.600 -0.073 0.000 0.982 206 E CA 0.619 57.004 56.400 -0.026 0.000 0.823 206 E CB -0.419 29.297 29.700 0.027 0.000 0.766 206 E HN 0.454 nan 8.360 nan 0.000 0.468 207 L N 1.368 122.560 121.223 -0.052 0.000 2.083 207 L HA -0.116 4.222 4.340 -0.004 0.000 0.209 207 L C 2.478 179.291 176.870 -0.096 0.000 1.083 207 L CA 1.429 56.227 54.840 -0.071 0.000 0.752 207 L CB -0.581 41.448 42.059 -0.050 0.000 0.899 207 L HN 0.164 nan 8.230 nan 0.000 0.433 208 T N -0.200 114.291 114.554 -0.105 0.000 2.821 208 T HA -0.122 4.226 4.350 -0.004 0.000 0.267 208 T C 1.997 176.468 174.700 -0.383 0.000 1.046 208 T CA 1.253 63.262 62.100 -0.152 0.000 1.139 208 T CB -0.119 68.693 68.868 -0.094 0.000 0.871 208 T HN 0.442 nan 8.240 nan 0.000 0.454 209 A N 1.485 123.969 122.820 -0.560 0.000 1.872 209 A HA 0.261 4.579 4.320 -0.004 0.000 0.214 209 A C 2.665 179.944 177.584 -0.508 0.000 1.187 209 A CA 1.661 53.026 52.037 -1.120 0.000 0.614 209 A CB -1.198 17.382 19.000 -0.700 0.000 0.826 209 A HN 0.474 nan 8.150 nan 0.000 0.442 210 A N -0.166 122.510 122.820 -0.240 0.000 1.869 210 A HA -0.297 4.021 4.320 -0.004 0.000 0.218 210 A C 2.081 179.628 177.584 -0.061 0.000 1.203 210 A CA 2.165 54.140 52.037 -0.103 0.000 0.638 210 A CB -0.733 18.220 19.000 -0.078 0.000 0.831 210 A HN 0.667 nan 8.150 nan 0.000 0.450 211 E N -1.133 119.022 120.200 -0.075 0.000 2.046 211 E HA -0.072 4.276 4.350 -0.004 0.000 0.190 211 E C 2.152 178.774 176.600 0.036 0.000 0.982 211 E CA 0.853 57.250 56.400 -0.006 0.000 0.800 211 E CB -0.402 29.296 29.700 -0.005 0.000 0.756 211 E HN 0.535 nan 8.360 nan 0.000 0.449 212 G N 1.381 110.174 108.800 -0.012 0.000 2.422 212 G HA2 -0.256 3.701 3.960 -0.004 0.000 0.218 212 G HA3 -0.256 3.701 3.960 -0.004 0.000 0.218 212 G C 1.503 176.586 174.900 0.305 0.000 1.146 212 G CA 0.761 45.950 45.100 0.148 0.000 0.769 212 G HN 0.270 nan 8.290 nan 0.000 0.547 213 L N 0.539 121.948 121.223 0.310 0.000 2.017 213 L HA 0.038 4.375 4.340 -0.004 0.000 0.208 213 L C 2.574 179.602 176.870 0.262 0.000 1.073 213 L CA 2.168 57.209 54.840 0.335 0.000 0.745 213 L CB -0.544 41.682 42.059 0.280 0.000 0.894 213 L HN 0.160 nan 8.230 nan 0.000 0.432 214 E N -0.261 120.051 120.200 0.187 0.000 2.110 214 E HA -0.164 4.184 4.350 -0.004 0.000 0.193 214 E C 2.351 179.045 176.600 0.157 0.000 0.988 214 E CA 1.217 57.718 56.400 0.169 0.000 0.804 214 E CB -0.057 29.729 29.700 0.142 0.000 0.745 214 E HN 0.435 nan 8.360 nan 0.000 0.458 215 R N -1.261 119.334 120.500 0.158 0.000 2.090 215 R HA -0.089 4.249 4.340 -0.004 0.000 0.228 215 R C 2.215 178.578 176.300 0.105 0.000 1.110 215 R CA 1.107 57.280 56.100 0.122 0.000 0.973 215 R CB -0.429 29.939 30.300 0.113 0.000 0.869 215 R HN 0.287 nan 8.270 nan 0.000 0.440 216 Y N 1.609 121.930 120.300 0.034 0.000 2.181 216 Y HA -0.143 4.405 4.550 -0.004 0.000 0.288 216 Y C 2.003 177.828 175.900 -0.126 0.000 1.146 216 Y CA 1.393 59.468 58.100 -0.041 0.000 1.164 216 Y CB -0.027 38.447 38.460 0.023 0.000 0.982 216 Y HN -0.062 nan 8.280 nan 0.000 0.515 217 L N -1.035 120.296 121.223 0.180 0.000 2.109 217 L HA -0.093 4.245 4.340 -0.004 0.000 0.207 217 L C 2.691 179.525 176.870 -0.060 0.000 1.086 217 L CA 0.981 55.874 54.840 0.088 0.000 0.760 217 L CB -1.186 40.991 42.059 0.198 0.000 0.910 217 L HN 0.377 nan 8.230 nan 0.000 0.437 218 G N 0.073 108.854 108.800 -0.032 0.000 2.491 218 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.218 218 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.218 218 G C 1.747 176.553 174.900 -0.158 0.000 1.180 218 G CA 0.985 46.039 45.100 -0.077 0.000 0.774 218 G HN 0.469 nan 8.290 nan 0.000 0.562 219 A N 0.010 122.700 122.820 -0.218 0.000 1.898 219 A HA 0.082 4.400 4.320 -0.004 0.000 0.216 219 A C 2.360 179.683 177.584 -0.436 0.000 1.181 219 A CA 1.811 53.675 52.037 -0.289 0.000 0.620 219 A CB -0.220 18.595 19.000 -0.309 0.000 0.819 219 A HN 0.252 nan 8.150 nan 0.000 0.442 220 K N -1.414 118.579 120.400 -0.679 0.000 2.137 220 K HA 0.088 4.406 4.320 -0.004 0.000 0.202 220 K C -0.665 175.242 176.600 -1.154 0.000 1.052 220 K CA 0.658 56.299 56.287 -1.077 0.000 0.961 220 K CB 0.004 31.543 32.500 -1.602 0.000 0.741 220 K HN 0.528 nan 8.250 nan 0.000 0.452 221 F N 1.116 120.881 119.950 -0.307 0.000 2.686 221 F HA 0.281 4.806 4.527 -0.004 0.000 0.365 221 F C -2.151 173.554 175.800 -0.159 0.000 1.196 221 F CA -2.011 55.834 58.000 -0.257 0.000 1.198 221 F CB 1.374 40.068 39.000 -0.510 0.000 1.454 221 F HN -0.193 nan 8.300 nan 0.000 0.539 222 P HA 0.060 nan 4.420 nan 0.000 0.301 222 P C 0.546 177.860 177.300 0.022 0.000 1.560 222 P CA 0.473 63.561 63.100 -0.019 0.000 0.784 222 P CB 0.038 31.714 31.700 -0.039 0.000 1.715 227 F N 1.632 121.625 119.950 0.072 0.000 2.873 227 F HA 0.218 4.743 4.527 -0.004 0.000 0.289 227 F C 1.520 177.397 175.800 0.128 0.000 1.206 227 F CA -0.062 57.985 58.000 0.078 0.000 1.401 227 F CB 1.056 40.053 39.000 -0.005 0.000 0.996 227 F HN 0.574 nan 8.300 nan 0.000 0.511 228 S N 0.791 116.652 115.700 0.269 0.000 2.573 228 S HA -0.012 4.456 4.470 -0.004 0.000 0.277 228 S C 0.924 175.633 174.600 0.182 0.000 1.346 228 S CA -0.654 57.679 58.200 0.222 0.000 1.034 228 S CB 1.004 64.331 63.200 0.211 0.000 0.879 228 S HN 0.458 nan 8.310 nan 0.000 0.528 229 L N 3.189 124.489 121.223 0.128 0.000 2.492 229 L HA 0.299 4.637 4.340 -0.004 0.000 0.223 229 L C 0.670 177.546 176.870 0.010 0.000 1.132 229 L CA 0.848 55.722 54.840 0.056 0.000 0.850 229 L CB -0.739 41.338 42.059 0.030 0.000 0.966 229 L HN 0.794 nan 8.230 nan 0.000 0.454 230 E N 0.095 120.326 120.200 0.051 0.000 2.442 230 E HA 0.224 4.572 4.350 -0.004 0.000 0.262 230 E C 0.421 176.958 176.600 -0.103 0.000 1.004 230 E CA 0.489 56.887 56.400 -0.003 0.000 0.928 230 E CB 0.130 29.886 29.700 0.094 0.000 0.937 230 E HN 0.369 nan 8.360 nan 0.000 0.446 231 G N 1.902 110.477 108.800 -0.375 0.000 3.058 231 G HA2 0.340 4.298 3.960 -0.004 0.000 0.316 231 G HA3 0.340 4.298 3.960 -0.004 0.000 0.316 231 G C 0.373 174.926 174.900 -0.577 0.000 0.951 231 G CA -0.573 44.244 45.100 -0.472 0.000 1.535 231 G HN 0.556 nan 8.290 nan 0.000 0.500 232 G N 1.188 109.814 108.800 -0.290 0.000 3.882 232 G HA2 0.259 4.217 3.960 -0.004 0.000 0.283 232 G HA3 0.259 4.217 3.960 -0.004 0.000 0.283 232 G C 0.453 175.276 174.900 -0.129 0.000 1.283 232 G CA -0.329 44.658 45.100 -0.188 0.000 1.402 232 G HN 0.415 nan 8.290 nan 0.000 0.618 233 D N 1.279 121.601 120.400 -0.131 0.000 2.221 233 D HA -0.106 4.532 4.640 -0.004 0.000 0.204 233 D C 2.478 178.721 176.300 -0.095 0.000 0.982 233 D CA 1.172 55.117 54.000 -0.091 0.000 0.857 233 D CB 0.134 40.886 40.800 -0.079 0.000 0.934 233 D HN 0.375 nan 8.370 nan 0.000 0.475 234 A N 0.173 122.926 122.820 -0.111 0.000 2.248 234 A HA -0.023 4.295 4.320 -0.004 0.000 0.210 234 A C 1.861 179.379 177.584 -0.110 0.000 1.174 234 A CA 0.264 52.222 52.037 -0.131 0.000 0.750 234 A CB -0.509 18.404 19.000 -0.145 0.000 0.780 234 A HN 0.220 nan 8.150 nan 0.000 0.478 235 L N -0.443 120.727 121.223 -0.088 0.000 2.131 235 L HA -0.144 4.194 4.340 -0.004 0.000 0.210 235 L C 1.968 178.798 176.870 -0.068 0.000 1.092 235 L CA 1.539 56.334 54.840 -0.075 0.000 0.759 235 L CB -0.284 41.734 42.059 -0.067 0.000 0.903 235 L HN 0.331 nan 8.230 nan 0.000 0.435 236 I N 0.125 120.658 120.570 -0.062 0.000 2.162 236 I HA -0.093 4.075 4.170 -0.004 0.000 0.238 236 I C -0.067 176.033 176.117 -0.029 0.000 1.076 236 I CA 1.097 62.372 61.300 -0.043 0.000 1.353 236 I CB -2.789 35.187 38.000 -0.040 0.000 1.063 236 I HN 0.166 nan 8.210 nan 0.000 0.408 237 P HA -0.192 nan 4.420 nan 0.000 0.216 237 P C 2.175 179.458 177.300 -0.028 0.000 1.150 237 P CA 1.602 64.696 63.100 -0.010 0.000 0.843 237 P CB -0.092 31.547 31.700 -0.102 0.000 0.787 238 M N -1.280 118.275 119.600 -0.075 0.000 2.098 238 M HA -0.117 4.361 4.480 -0.004 0.000 0.262 238 M C 1.929 178.195 176.300 -0.056 0.000 1.072 238 M CA 1.834 57.088 55.300 -0.076 0.000 1.133 238 M CB -0.672 31.877 32.600 -0.085 0.000 1.344 238 M HN -0.124 nan 8.290 nan 0.000 0.414 239 L N 0.103 121.289 121.223 -0.062 0.000 2.046 239 L HA -0.243 4.095 4.340 -0.004 0.000 0.208 239 L C 2.561 179.375 176.870 -0.093 0.000 1.077 239 L CA 1.192 55.983 54.840 -0.082 0.000 0.747 239 L CB -0.721 41.285 42.059 -0.088 0.000 0.896 239 L HN 0.275 nan 8.230 nan 0.000 0.432 240 K N -0.153 120.222 120.400 -0.042 0.000 2.097 240 K HA -0.214 4.104 4.320 -0.004 0.000 0.205 240 K C 2.023 178.633 176.600 0.016 0.000 1.050 240 K CA 1.280 57.562 56.287 -0.007 0.000 0.938 240 K CB -0.024 32.540 32.500 0.106 0.000 0.718 240 K HN 0.189 nan 8.250 nan 0.000 0.442 241 E N 1.251 121.477 120.200 0.042 0.000 2.107 241 E HA -0.106 4.241 4.350 -0.004 0.000 0.191 241 E C 1.982 178.609 176.600 0.045 0.000 0.982 241 E CA 0.917 57.362 56.400 0.075 0.000 0.809 241 E CB -0.076 29.686 29.700 0.103 0.000 0.756 241 E HN 0.138 nan 8.360 nan 0.000 0.459 242 M N -0.234 119.361 119.600 -0.009 0.000 2.108 242 M HA -0.144 4.334 4.480 -0.004 0.000 0.261 242 M C 1.857 178.151 176.300 -0.011 0.000 1.066 242 M CA 1.617 56.911 55.300 -0.010 0.000 1.107 242 M CB -0.104 32.466 32.600 -0.050 0.000 1.356 242 M HN 0.213 nan 8.290 nan 0.000 0.406 243 I N -0.795 119.711 120.570 -0.107 0.000 2.202 243 I HA -0.285 3.882 4.170 -0.004 0.000 0.242 243 I C 2.444 178.514 176.117 -0.078 0.000 1.091 243 I CA 1.169 62.349 61.300 -0.201 0.000 1.368 243 I CB -0.439 37.229 38.000 -0.553 0.000 1.058 243 I HN 0.272 nan 8.210 nan 0.000 0.410 244 R N -0.317 120.190 120.500 0.012 0.000 2.096 244 R HA -0.259 4.079 4.340 -0.004 0.000 0.240 244 R C 2.391 178.759 176.300 0.113 0.000 1.139 244 R CA 1.925 58.098 56.100 0.122 0.000 0.952 244 R CB -0.605 29.791 30.300 0.161 0.000 0.854 244 R HN 0.387 nan 8.270 nan 0.000 0.436 245 H N 0.252 119.334 119.070 0.019 0.000 2.389 245 H HA 0.023 4.577 4.556 -0.003 0.000 0.299 245 H C 1.852 177.180 175.328 0.001 0.000 1.081 245 H CA 1.533 57.590 56.048 0.015 0.000 1.345 245 H CB -0.092 29.675 29.762 0.010 0.000 1.393 245 H HN 0.275 nan 8.280 nan 0.000 0.520 246 A N -0.044 122.790 122.820 0.023 0.000 1.883 246 A HA -0.146 4.172 4.320 -0.004 0.000 0.217 246 A C 2.715 180.266 177.584 -0.055 0.000 1.186 246 A CA 1.699 53.714 52.037 -0.036 0.000 0.624 246 A CB -1.458 17.525 19.000 -0.028 0.000 0.822 246 A HN 0.593 nan 8.150 nan 0.000 0.444 247 G N -0.335 108.452 108.800 -0.020 0.000 2.440 247 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.218 247 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.218 247 G C 1.263 176.143 174.900 -0.034 0.000 1.154 247 G CA 1.255 46.355 45.100 0.001 0.000 0.767 247 G HN 0.620 nan 8.290 nan 0.000 0.552 248 N N -0.198 118.457 118.700 -0.074 0.000 2.461 248 N HA 0.081 4.819 4.740 -0.004 0.000 0.188 248 N C 1.470 176.890 175.510 -0.150 0.000 1.134 248 N CA 0.778 53.770 53.050 -0.097 0.000 0.878 248 N CB 0.339 38.770 38.487 -0.092 0.000 0.972 248 N HN 0.362 nan 8.380 nan 0.000 0.456 249 S N -1.801 113.802 115.700 -0.162 0.000 2.846 249 S HA 0.348 4.816 4.470 -0.004 0.000 0.249 249 S C 1.114 175.660 174.600 -0.091 0.000 1.028 249 S CA 0.022 58.131 58.200 -0.152 0.000 1.043 249 S CB 0.204 63.275 63.200 -0.216 0.000 0.990 249 S HN 0.230 nan 8.310 nan 0.000 0.564 250 G N 1.263 110.023 108.800 -0.066 0.000 2.148 250 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.254 250 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.254 250 G C 0.113 174.991 174.900 -0.037 0.000 0.981 250 G CA 0.211 45.284 45.100 -0.045 0.000 0.670 250 G HN 0.704 nan 8.290 nan 0.000 0.528 251 T N 0.126 114.657 114.554 -0.039 0.000 2.901 251 T HA 0.431 4.779 4.350 -0.004 0.000 0.301 251 T C 1.350 176.043 174.700 -0.011 0.000 1.012 251 T CA 0.417 62.500 62.100 -0.028 0.000 1.135 251 T CB 1.843 70.692 68.868 -0.032 0.000 0.936 251 T HN 0.248 nan 8.240 nan 0.000 0.539 252 R N 1.272 121.770 120.500 -0.003 0.000 2.257 252 R HA 0.233 4.571 4.340 -0.004 0.000 0.195 252 R C 0.416 176.743 176.300 0.044 0.000 0.921 252 R CA 0.414 56.524 56.100 0.016 0.000 1.069 252 R CB 0.177 30.479 30.300 0.004 0.000 1.115 252 R HN 0.800 nan 8.270 nan 0.000 0.571 253 E N -0.804 119.415 120.200 0.032 0.000 2.343 253 E HA 0.596 4.944 4.350 -0.004 0.000 0.270 253 E C -1.576 175.021 176.600 -0.004 0.000 0.895 253 E CA -0.730 55.701 56.400 0.052 0.000 0.767 253 E CB 2.946 32.699 29.700 0.088 0.000 1.248 253 E HN -0.091 nan 8.360 nan 0.000 0.440 254 V N 2.088 121.980 119.914 -0.036 0.000 2.531 254 V HA 0.332 4.450 4.120 -0.004 0.000 0.301 254 V C -0.731 175.314 176.094 -0.080 0.000 1.034 254 V CA -0.842 61.417 62.300 -0.068 0.000 0.865 254 V CB 1.766 33.527 31.823 -0.103 0.000 0.995 254 V HN 0.423 nan 8.190 nan 0.000 0.424 255 V N 6.347 126.221 119.914 -0.068 0.000 2.384 255 V HA 0.558 4.676 4.120 -0.004 0.000 0.287 255 V C -0.391 175.654 176.094 -0.082 0.000 1.020 255 V CA -0.524 61.732 62.300 -0.073 0.000 0.850 255 V CB 1.455 33.242 31.823 -0.060 0.000 0.987 255 V HN 0.617 nan 8.190 nan 0.000 0.436 256 L N 3.770 124.937 121.223 -0.094 0.000 2.334 256 L HA 0.925 5.263 4.340 -0.004 0.000 0.273 256 L C 0.563 177.369 176.870 -0.107 0.000 1.013 256 L CA 0.124 54.901 54.840 -0.104 0.000 0.816 256 L CB 2.048 44.040 42.059 -0.112 0.000 1.278 256 L HN 0.792 nan 8.230 nan 0.000 0.431 257 G N 2.985 111.712 108.800 -0.122 0.000 2.617 257 G HA2 0.737 4.694 3.960 -0.004 0.000 0.306 257 G HA3 0.737 4.694 3.960 -0.004 0.000 0.306 257 G C -0.924 173.874 174.900 -0.171 0.000 1.360 257 G CA -0.509 44.514 45.100 -0.127 0.000 0.983 257 G HN 0.545 nan 8.290 nan 0.000 0.496 258 M N 1.168 120.675 119.600 -0.154 0.000 3.163 258 M HA 0.910 5.388 4.480 -0.004 0.000 0.287 258 M C -0.186 176.035 176.300 -0.132 0.000 1.323 258 M CA -0.988 54.209 55.300 -0.172 0.000 0.760 258 M CB 1.221 33.728 32.600 -0.154 0.000 1.770 258 M HN 0.753 nan 8.290 nan 0.000 0.431 259 A N -0.484 122.248 122.820 -0.147 0.000 3.708 259 A HA 0.578 4.896 4.320 -0.004 0.000 0.178 259 A C 1.030 178.551 177.584 -0.106 0.000 1.050 259 A CA 0.289 52.258 52.037 -0.114 0.000 1.245 259 A CB -0.423 18.475 19.000 -0.170 0.000 1.600 259 A HN 1.046 nan 8.150 nan 0.000 0.697 260 H N -0.063 118.910 119.070 -0.162 0.000 2.418 260 H HA 0.166 4.720 4.556 -0.004 0.000 0.300 260 H C 1.024 176.256 175.328 -0.160 0.000 1.041 260 H CA 0.543 56.447 56.048 -0.240 0.000 1.364 260 H CB -0.470 28.823 29.762 -0.781 0.000 1.439 260 H HN 0.472 nan 8.280 nan 0.000 0.540 261 R N 1.541 121.715 120.500 -0.543 0.000 2.458 261 R HA 0.139 4.477 4.340 -0.004 0.000 0.303 261 R C 0.809 177.073 176.300 -0.060 0.000 1.013 261 R CA 1.264 57.256 56.100 -0.179 0.000 1.026 261 R CB -0.139 30.028 30.300 -0.222 0.000 0.948 261 R HN 0.692 nan 8.270 nan 0.000 0.417 262 G N 3.756 112.594 108.800 0.064 0.000 2.205 262 G HA2 -0.380 3.578 3.960 -0.004 0.000 0.261 262 G HA3 -0.380 3.578 3.960 -0.004 0.000 0.261 262 G C 0.912 175.846 174.900 0.057 0.000 0.980 262 G CA 0.480 45.609 45.100 0.048 0.000 0.632 262 G HN 0.656 nan 8.290 nan 0.000 0.533 263 R N 0.857 121.410 120.500 0.089 0.000 2.096 263 R HA 0.085 4.423 4.340 -0.004 0.000 0.240 263 R C 2.585 178.922 176.300 0.062 0.000 1.139 263 R CA 2.399 58.544 56.100 0.074 0.000 0.952 263 R CB -0.734 29.657 30.300 0.152 0.000 0.854 263 R HN 0.530 nan 8.270 nan 0.000 0.436 264 L N 0.244 121.550 121.223 0.138 0.000 2.093 264 L HA -0.121 4.217 4.340 -0.004 0.000 0.208 264 L C 2.295 179.191 176.870 0.044 0.000 1.085 264 L CA 1.234 56.127 54.840 0.087 0.000 0.755 264 L CB -0.708 41.466 42.059 0.191 0.000 0.904 264 L HN 0.355 nan 8.230 nan 0.000 0.435 265 N N 0.321 119.062 118.700 0.068 0.000 2.084 265 N HA -0.150 4.588 4.740 -0.004 0.000 0.190 265 N C 1.822 177.324 175.510 -0.012 0.000 1.030 265 N CA 1.330 54.403 53.050 0.039 0.000 0.849 265 N CB 0.069 38.582 38.487 0.043 0.000 1.012 265 N HN 0.075 nan 8.380 nan 0.000 0.423 266 V N 1.823 121.719 119.914 -0.029 0.000 2.427 266 V HA -0.165 3.953 4.120 -0.004 0.000 0.248 266 V C 2.537 178.568 176.094 -0.104 0.000 1.051 266 V CA 0.938 63.202 62.300 -0.059 0.000 1.048 266 V CB -0.396 31.388 31.823 -0.066 0.000 0.666 266 V HN 0.249 nan 8.190 nan 0.000 0.456 267 L N -0.543 120.596 121.223 -0.139 0.000 1.990 267 L HA -0.203 4.135 4.340 -0.004 0.000 0.213 267 L C 2.437 179.112 176.870 -0.326 0.000 1.072 267 L CA 1.605 56.282 54.840 -0.273 0.000 0.755 267 L CB -0.582 41.314 42.059 -0.273 0.000 0.889 267 L HN 0.194 nan 8.230 nan 0.000 0.432 268 V N -0.613 119.173 119.914 -0.214 0.000 2.302 268 V HA -0.162 3.956 4.120 -0.004 0.000 0.243 268 V C 1.832 177.861 176.094 -0.108 0.000 1.036 268 V CA 1.609 63.790 62.300 -0.200 0.000 1.020 268 V CB -0.462 31.284 31.823 -0.128 0.000 0.657 268 V HN 0.454 nan 8.190 nan 0.000 0.453 269 N N -0.659 118.021 118.700 -0.033 0.000 2.353 269 N HA 0.065 4.802 4.740 -0.004 0.000 0.185 269 N C 1.205 176.742 175.510 0.046 0.000 1.098 269 N CA 0.577 53.644 53.050 0.028 0.000 0.872 269 N CB 1.304 39.813 38.487 0.036 0.000 0.970 269 N HN 0.350 nan 8.380 nan 0.000 0.467 270 V N -0.129 119.795 119.914 0.017 0.000 2.996 270 V HA 0.150 4.268 4.120 -0.004 0.000 0.235 270 V C 1.907 178.070 176.094 0.115 0.000 1.205 270 V CA 0.200 62.538 62.300 0.062 0.000 1.225 270 V CB 0.514 32.326 31.823 -0.018 0.000 0.995 270 V HN 0.106 nan 8.190 nan 0.000 0.484 271 L N 0.492 121.720 121.223 0.009 0.000 2.307 271 L HA 0.276 4.613 4.340 -0.004 0.000 0.211 271 L C 1.696 178.620 176.870 0.091 0.000 1.099 271 L CA 1.789 56.666 54.840 0.063 0.000 0.816 271 L CB -0.342 41.681 42.059 -0.061 0.000 0.952 271 L HN 0.678 nan 8.230 nan 0.000 0.455 272 G N 0.878 109.582 108.800 -0.160 0.000 2.138 272 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.193 272 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.193 272 G C 0.402 174.948 174.900 -0.590 0.000 0.998 272 G CA 0.246 45.176 45.100 -0.283 0.000 0.668 272 G HN 0.345 nan 8.290 nan 0.000 0.516 273 K N 1.091 121.005 120.400 -0.811 0.000 2.489 273 K HA 0.219 4.537 4.320 -0.004 0.000 0.278 273 K C 0.542 176.854 176.600 -0.480 0.000 1.000 273 K CA -0.058 55.742 56.287 -0.812 0.000 1.012 273 K CB 0.288 32.182 32.500 -1.010 0.000 0.903 273 K HN 0.170 nan 8.250 nan 0.000 0.485 274 K N 5.337 125.521 120.400 -0.359 0.000 2.436 274 K HA -0.004 4.314 4.320 -0.004 0.000 0.282 274 K C -1.875 174.489 176.600 -0.392 0.000 1.044 274 K CA -1.470 54.613 56.287 -0.341 0.000 1.028 274 K CB 0.770 33.125 32.500 -0.241 0.000 0.919 274 K HN 0.482 nan 8.250 nan 0.000 0.474 275 P HA -0.248 nan 4.420 nan 0.000 0.216 275 P C 1.078 177.716 177.300 -1.103 0.000 1.154 275 P CA 1.163 63.749 63.100 -0.856 0.000 0.865 275 P CB 0.286 31.528 31.700 -0.763 0.000 0.789 276 Q N 0.008 119.478 119.800 -0.550 0.000 2.096 276 Q HA -0.195 4.143 4.340 -0.004 0.000 0.204 276 Q C 1.698 177.606 176.000 -0.152 0.000 0.982 276 Q CA 1.870 57.545 55.803 -0.214 0.000 0.850 276 Q CB -1.271 27.434 28.738 -0.055 0.000 0.901 276 Q HN 0.220 nan 8.270 nan 0.000 0.422 277 D N -0.518 119.777 120.400 -0.175 0.000 2.123 277 D HA -0.165 4.473 4.640 -0.004 0.000 0.196 277 D C 1.810 178.050 176.300 -0.099 0.000 0.992 277 D CA 1.027 54.969 54.000 -0.096 0.000 0.833 277 D CB -0.286 40.475 40.800 -0.064 0.000 0.954 277 D HN 0.266 nan 8.370 nan 0.000 0.455 278 L N -0.035 121.067 121.223 -0.201 0.000 2.056 278 L HA -0.047 4.291 4.340 -0.004 0.000 0.207 278 L C 2.123 179.076 176.870 0.138 0.000 1.078 278 L CA 1.397 56.176 54.840 -0.102 0.000 0.749 278 L CB -0.823 41.142 42.059 -0.157 0.000 0.901 278 L HN -0.015 nan 8.230 nan 0.000 0.433 279 F N -0.324 119.712 119.950 0.143 0.000 2.171 279 F HA -0.227 4.298 4.527 -0.004 0.000 0.300 279 F C 2.215 178.083 175.800 0.114 0.000 1.090 279 F CA 0.568 58.699 58.000 0.219 0.000 1.293 279 F CB -0.417 38.750 39.000 0.279 0.000 1.013 279 F HN 0.166 nan 8.300 nan 0.000 0.486 280 D N 0.530 121.055 120.400 0.208 0.000 2.117 280 D HA -0.164 4.474 4.640 -0.004 0.000 0.197 280 D C 1.967 178.227 176.300 -0.067 0.000 0.987 280 D CA 1.205 55.241 54.000 0.060 0.000 0.829 280 D CB -0.455 40.349 40.800 0.007 0.000 0.961 280 D HN 0.345 nan 8.370 nan 0.000 0.460 281 E N -0.503 119.642 120.200 -0.092 0.000 2.097 281 E HA -0.180 4.168 4.350 -0.004 0.000 0.196 281 E C 1.991 178.431 176.600 -0.265 0.000 1.000 281 E CA 0.718 56.995 56.400 -0.206 0.000 0.804 281 E CB -0.231 29.353 29.700 -0.193 0.000 0.740 281 E HN 0.301 nan 8.360 nan 0.000 0.454 282 F N 0.121 119.885 119.950 -0.310 0.000 2.365 282 F HA -0.104 4.421 4.527 -0.004 0.000 0.300 282 F C 2.140 177.762 175.800 -0.298 0.000 1.090 282 F CA 0.880 58.587 58.000 -0.487 0.000 1.408 282 F CB 0.082 38.303 39.000 -1.299 0.000 1.060 282 F HN 0.011 nan 8.300 nan 0.000 0.534 283 A N -0.640 122.175 122.820 -0.009 0.000 2.275 283 A HA 0.437 4.755 4.320 -0.004 0.000 0.212 283 A C 1.814 179.375 177.584 -0.039 0.000 1.201 283 A CA 0.685 52.743 52.037 0.036 0.000 0.843 283 A CB -0.829 18.223 19.000 0.087 0.000 0.873 283 A HN 0.515 nan 8.150 nan 0.000 0.492 284 G N -0.011 108.705 108.800 -0.139 0.000 2.137 284 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.237 284 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.237 284 G C -0.190 174.499 174.900 -0.352 0.000 1.002 284 G CA 0.234 45.215 45.100 -0.198 0.000 0.702 284 G HN 0.409 nan 8.290 nan 0.000 0.515 285 K N 1.148 121.302 120.400 -0.410 0.000 2.211 285 K HA 0.622 4.940 4.320 -0.004 0.000 0.275 285 K C 0.040 176.333 176.600 -0.512 0.000 1.024 285 K CA -0.425 55.666 56.287 -0.326 0.000 0.887 285 K CB 1.428 33.855 32.500 -0.122 0.000 1.084 285 K HN 0.512 nan 8.250 nan 0.000 0.463 290 L N 0.239 121.461 121.223 -0.001 0.000 3.393 290 L HA 0.860 5.198 4.340 -0.004 0.000 0.319 290 L C 0.861 177.722 176.870 -0.016 0.000 1.309 290 L CA 0.879 55.716 54.840 -0.006 0.000 0.962 290 L CB 0.092 42.155 42.059 0.006 0.000 1.391 290 L HN 1.757 nan 8.230 nan 0.000 0.607 291 G N -1.264 107.516 108.800 -0.032 0.000 2.990 291 G HA2 0.474 4.432 3.960 -0.004 0.000 0.208 291 G HA3 0.474 4.432 3.960 -0.004 0.000 0.208 291 G C 1.079 175.940 174.900 -0.066 0.000 1.334 291 G CA 0.895 45.966 45.100 -0.048 0.000 1.024 291 G HN 0.670 nan 8.290 nan 0.000 0.574 292 T N -2.964 111.540 114.554 -0.083 0.000 3.067 292 T HA 0.435 4.783 4.350 -0.004 0.000 0.257 292 T C 1.329 175.967 174.700 -0.105 0.000 1.105 292 T CA 1.145 63.192 62.100 -0.089 0.000 1.104 292 T CB -0.373 68.442 68.868 -0.088 0.000 0.925 292 T HN 2.275 nan 8.240 nan 0.000 0.498 293 G N 0.566 109.301 108.800 -0.107 0.000 2.728 293 G HA2 0.162 4.120 3.960 -0.004 0.000 0.294 293 G HA3 0.162 4.120 3.960 -0.004 0.000 0.294 293 G C -1.150 173.724 174.900 -0.044 0.000 1.342 293 G CA -0.167 44.884 45.100 -0.081 0.000 0.866 293 G HN 0.714 nan 8.290 nan 0.000 0.534 294 D N -2.394 118.028 120.400 0.037 0.000 2.768 294 D HA 0.601 5.239 4.640 -0.004 0.000 0.327 294 D C 0.498 176.826 176.300 0.046 0.000 1.302 294 D CA 0.546 54.602 54.000 0.094 0.000 0.897 294 D CB 1.340 42.331 40.800 0.320 0.000 1.420 294 D HN 1.384 nan 8.370 nan 0.000 0.494 295 V N 0.098 119.996 119.914 -0.026 0.000 3.083 295 V HA 0.401 4.519 4.120 -0.004 0.000 0.306 295 V C 1.584 177.601 176.094 -0.127 0.000 1.077 295 V CA 0.185 62.419 62.300 -0.109 0.000 1.073 295 V CB 0.961 32.700 31.823 -0.140 0.000 1.081 295 V HN 0.739 nan 8.190 nan 0.000 0.474 296 K N 0.227 120.463 120.400 -0.273 0.000 2.283 296 K HA -0.108 4.210 4.320 -0.004 0.000 0.202 296 K C 1.357 177.751 176.600 -0.343 0.000 1.048 296 K CA 1.819 57.880 56.287 -0.376 0.000 0.948 296 K CB -0.513 31.597 32.500 -0.651 0.000 0.742 296 K HN 0.762 nan 8.250 nan 0.000 0.458 297 Y N 1.020 121.303 120.300 -0.029 0.000 2.578 297 Y HA 0.054 4.602 4.550 -0.003 0.000 0.297 297 Y C 0.973 176.982 175.900 0.183 0.000 1.176 297 Y CA 0.479 58.625 58.100 0.076 0.000 1.315 297 Y CB -0.228 38.326 38.460 0.156 0.000 1.031 297 Y HN 0.262 nan 8.280 nan 0.000 0.524 298 H N -1.319 117.833 119.070 0.138 0.000 2.520 298 H HA 0.191 4.744 4.556 -0.004 0.000 0.284 298 H C 0.236 175.511 175.328 -0.088 0.000 1.037 298 H CA -0.579 55.515 56.048 0.076 0.000 1.168 298 H CB 0.333 30.233 29.762 0.230 0.000 1.497 298 H HN 0.048 nan 8.280 nan 0.000 0.547 299 M N 1.670 121.246 119.600 -0.039 0.000 2.185 299 M HA 0.172 4.650 4.480 -0.004 0.000 0.357 299 M C 1.049 176.953 176.300 -0.660 0.000 1.260 299 M CA -0.179 54.951 55.300 -0.283 0.000 1.124 299 M CB 0.838 33.380 32.600 -0.097 0.000 1.600 299 M HN 0.235 nan 8.290 nan 0.000 0.467 300 G N 1.865 109.653 108.800 -1.687 0.000 2.525 300 G HA2 0.688 4.646 3.960 -0.004 0.000 0.287 300 G HA3 0.688 4.646 3.960 -0.004 0.000 0.287 300 G C -1.559 173.048 174.900 -0.488 0.000 1.350 300 G CA -0.290 44.078 45.100 -1.220 0.000 1.039 300 G HN 0.577 nan 8.290 nan 0.000 0.513 301 F N -1.536 118.184 119.950 -0.383 0.000 2.704 301 F HA 0.452 4.977 4.527 -0.004 0.000 0.312 301 F C -0.591 175.160 175.800 -0.082 0.000 1.108 301 F CA -0.659 57.248 58.000 -0.155 0.000 1.005 301 F CB 1.724 40.644 39.000 -0.135 0.000 1.277 301 F HN 0.489 nan 8.300 nan 0.000 0.445 302 S N 2.556 118.036 115.700 -0.367 0.000 2.502 302 S HA 0.863 5.330 4.470 -0.004 0.000 0.304 302 S C -1.147 173.399 174.600 -0.091 0.000 1.097 302 S CA -0.452 57.643 58.200 -0.175 0.000 1.045 302 S CB 1.821 64.958 63.200 -0.105 0.000 1.019 302 S HN 0.800 nan 8.310 nan 0.000 0.481 303 S N 1.983 117.675 115.700 -0.013 0.000 2.643 303 S HA 0.676 5.144 4.470 -0.004 0.000 0.270 303 S C -2.143 172.477 174.600 0.033 0.000 1.166 303 S CA -1.008 57.277 58.200 0.141 0.000 0.815 303 S CB 1.287 64.815 63.200 0.547 0.000 1.139 303 S HN 0.428 nan 8.310 nan 0.000 0.472 304 D N 0.137 120.534 120.400 -0.006 0.000 2.228 304 D HA 0.703 5.341 4.640 -0.004 0.000 0.247 304 D C -1.574 174.761 176.300 0.059 0.000 0.995 304 D CA -0.172 53.843 54.000 0.024 0.000 0.903 304 D CB 1.542 42.307 40.800 -0.057 0.000 1.205 304 D HN 0.495 nan 8.370 nan 0.000 0.459 305 F N 1.326 121.249 119.950 -0.046 0.000 2.585 305 F HA 0.196 4.721 4.527 -0.003 0.000 0.319 305 F C -0.802 174.992 175.800 -0.009 0.000 1.165 305 F CA -0.862 57.135 58.000 -0.005 0.000 0.949 305 F CB 1.786 40.802 39.000 0.027 0.000 1.218 305 F HN -0.002 nan 8.300 nan 0.000 0.453 306 Q N 4.444 124.168 119.800 -0.127 0.000 2.314 306 Q HA 0.381 4.719 4.340 -0.004 0.000 0.257 306 Q C -0.427 175.584 176.000 0.018 0.000 0.975 306 Q CA -0.169 55.607 55.803 -0.046 0.000 0.933 306 Q CB 1.057 29.729 28.738 -0.110 0.000 1.195 306 Q HN 0.686 nan 8.270 nan 0.000 0.426 307 T N 0.182 114.817 114.554 0.136 0.000 2.952 307 T HA 0.329 4.677 4.350 -0.004 0.000 0.286 307 T C 0.438 175.177 174.700 0.066 0.000 1.024 307 T CA -0.743 61.443 62.100 0.143 0.000 1.029 307 T CB 1.064 70.043 68.868 0.185 0.000 1.094 307 T HN 0.471 nan 8.240 nan 0.000 0.515 308 D N 1.629 122.063 120.400 0.058 0.000 2.172 308 D HA -0.035 4.603 4.640 -0.004 0.000 0.196 308 D C 2.081 178.396 176.300 0.025 0.000 0.999 308 D CA 1.981 56.001 54.000 0.034 0.000 0.856 308 D CB -0.583 40.238 40.800 0.035 0.000 0.934 308 D HN 0.843 nan 8.370 nan 0.000 0.453 309 G N -1.524 107.294 108.800 0.029 0.000 3.042 309 G HA2 0.442 4.400 3.960 -0.004 0.000 0.212 309 G HA3 0.442 4.400 3.960 -0.004 0.000 0.212 309 G C 0.691 175.599 174.900 0.014 0.000 1.166 309 G CA 0.502 45.608 45.100 0.011 0.000 0.767 309 G HN 0.622 nan 8.290 nan 0.000 0.546 310 G N -0.870 107.948 108.800 0.029 0.000 2.325 310 G HA2 0.230 4.187 3.960 -0.004 0.000 0.285 310 G HA3 0.230 4.187 3.960 -0.004 0.000 0.285 310 G C -1.730 173.200 174.900 0.049 0.000 1.303 310 G CA -0.723 44.394 45.100 0.028 0.000 0.970 310 G HN 0.573 nan 8.290 nan 0.000 0.490 311 L N 0.994 122.243 121.223 0.044 0.000 2.257 311 L HA 0.684 5.022 4.340 -0.004 0.000 0.290 311 L C 0.248 177.166 176.870 0.080 0.000 1.044 311 L CA -0.517 54.359 54.840 0.061 0.000 0.810 311 L CB 1.171 43.252 42.059 0.037 0.000 1.193 311 L HN 0.543 nan 8.230 nan 0.000 0.425 312 V N 4.198 124.182 119.914 0.117 0.000 2.481 312 V HA 0.271 4.389 4.120 -0.004 0.000 0.286 312 V C -0.320 175.852 176.094 0.130 0.000 1.042 312 V CA -0.823 61.538 62.300 0.101 0.000 0.928 312 V CB 1.235 33.094 31.823 0.061 0.000 0.986 312 V HN 0.706 nan 8.190 nan 0.000 0.462 313 H N 4.403 123.480 119.070 0.012 0.000 2.580 313 H HA 0.575 5.129 4.556 -0.004 0.000 0.322 313 H C -0.773 174.552 175.328 -0.004 0.000 1.082 313 H CA -0.259 55.789 56.048 -0.001 0.000 1.383 313 H CB 0.719 30.467 29.762 -0.024 0.000 1.450 313 H HN 0.542 nan 8.280 nan 0.000 0.505 314 L N 4.176 125.088 121.223 -0.520 0.000 2.322 314 L HA 0.661 4.999 4.340 -0.004 0.000 0.281 314 L C -0.450 176.110 176.870 -0.517 0.000 1.014 314 L CA -1.052 53.566 54.840 -0.370 0.000 0.815 314 L CB 1.728 43.699 42.059 -0.146 0.000 1.247 314 L HN 0.732 nan 8.230 nan 0.000 0.421 315 A N 4.104 126.753 122.820 -0.283 0.000 2.457 315 A HA 0.606 4.924 4.320 -0.004 0.000 0.283 315 A C -1.246 176.276 177.584 -0.103 0.000 1.166 315 A CA -0.410 51.525 52.037 -0.169 0.000 0.740 315 A CB 1.231 20.185 19.000 -0.076 0.000 1.181 315 A HN 0.554 nan 8.150 nan 0.000 0.446 316 L N 3.221 124.392 121.223 -0.087 0.000 2.264 316 L HA 0.760 5.098 4.340 -0.004 0.000 0.289 316 L C 0.588 177.362 176.870 -0.159 0.000 1.044 316 L CA -0.051 54.722 54.840 -0.111 0.000 0.807 316 L CB 1.017 43.017 42.059 -0.099 0.000 1.192 316 L HN 0.869 nan 8.230 nan 0.000 0.425 317 A N 4.555 127.293 122.820 -0.136 0.000 2.507 317 A HA 0.272 4.590 4.320 -0.004 0.000 0.235 317 A C -0.156 177.258 177.584 -0.284 0.000 1.070 317 A CA 0.073 52.039 52.037 -0.118 0.000 0.768 317 A CB -0.258 18.708 19.000 -0.057 0.000 1.011 317 A HN 0.657 nan 8.150 nan 0.000 0.502 318 F N 1.639 121.371 119.950 -0.364 0.000 2.380 318 F HA 0.408 4.933 4.527 -0.004 0.000 0.325 318 F C 1.165 176.496 175.800 -0.781 0.000 1.136 318 F CA 0.535 58.078 58.000 -0.762 0.000 1.171 318 F CB 1.088 39.217 39.000 -1.452 0.000 1.230 318 F HN 0.815 nan 8.300 nan 0.000 0.554 319 N N 0.614 118.944 118.700 -0.616 0.000 2.961 319 N HA 0.387 5.125 4.740 -0.004 0.000 0.245 319 N C -3.561 171.799 175.510 -0.250 0.000 1.404 319 N CA -1.589 51.251 53.050 -0.351 0.000 0.880 319 N CB 2.608 41.021 38.487 -0.124 0.000 1.461 319 N HN 0.107 nan 8.380 nan 0.000 0.510 320 P HA 0.293 nan 4.420 nan 0.000 0.301 320 P C 0.287 177.356 177.300 -0.386 0.000 1.309 320 P CA -0.257 62.707 63.100 -0.227 0.000 0.782 320 P CB 0.985 32.604 31.700 -0.134 0.000 1.282 321 S N -2.319 113.312 115.700 -0.115 0.000 2.453 321 S HA -0.056 4.412 4.470 -0.004 0.000 0.231 321 S C 0.832 175.447 174.600 0.025 0.000 1.005 321 S CA 0.442 58.648 58.200 0.009 0.000 0.949 321 S CB -1.001 62.269 63.200 0.117 0.000 0.774 321 S HN 0.476 nan 8.310 nan 0.000 0.510 322 H N 1.485 120.539 119.070 -0.026 0.000 3.107 322 H HA 0.076 4.630 4.556 -0.004 0.000 0.301 322 H C -0.104 175.245 175.328 0.035 0.000 0.981 322 H CA 0.113 56.171 56.048 0.016 0.000 1.443 322 H CB 0.068 29.851 29.762 0.035 0.000 1.479 322 H HN 0.220 nan 8.280 nan 0.000 0.564 323 L N 4.118 125.416 121.223 0.125 0.000 2.367 323 L HA -0.012 4.325 4.340 -0.004 0.000 0.275 323 L C 0.929 177.874 176.870 0.124 0.000 1.129 323 L CA 0.127 55.031 54.840 0.106 0.000 0.839 323 L CB 0.595 42.706 42.059 0.086 0.000 1.133 323 L HN 0.776 nan 8.230 nan 0.000 0.453 324 E N 1.537 121.809 120.200 0.120 0.000 4.342 324 E HA -0.202 4.146 4.350 -0.004 0.000 0.384 324 E C 0.452 177.127 176.600 0.124 0.000 0.603 324 E CA 0.744 57.225 56.400 0.135 0.000 1.479 324 E CB -1.058 28.720 29.700 0.130 0.000 1.846 324 E HN 0.700 nan 8.360 nan 0.000 0.361 325 I N -0.288 120.366 120.570 0.140 0.000 3.854 325 I HA 0.128 4.296 4.170 -0.004 0.000 0.312 325 I C 1.776 177.954 176.117 0.101 0.000 1.273 325 I CA 0.507 61.883 61.300 0.127 0.000 1.298 325 I CB 0.473 38.588 38.000 0.192 0.000 1.071 325 I HN 0.048 nan 8.210 nan 0.000 0.428 326 V N -0.365 119.645 119.914 0.161 0.000 2.913 326 V HA -0.173 3.945 4.120 -0.004 0.000 0.260 326 V C 2.340 178.450 176.094 0.027 0.000 1.098 326 V CA 1.922 64.297 62.300 0.125 0.000 1.121 326 V CB -0.406 31.487 31.823 0.116 0.000 0.714 326 V HN 0.537 nan 8.190 nan 0.000 0.487 327 S N 0.783 116.506 115.700 0.038 0.000 2.344 327 S HA -0.060 4.408 4.470 -0.004 0.000 0.217 327 S C -0.057 174.562 174.600 0.032 0.000 1.033 327 S CA 1.923 60.147 58.200 0.040 0.000 1.017 327 S CB -1.012 62.254 63.200 0.111 0.000 0.941 327 S HN 0.662 nan 8.310 nan 0.000 0.430 328 P HA -0.016 nan 4.420 nan 0.000 0.221 328 P C 1.414 178.731 177.300 0.028 0.000 1.145 328 P CA 0.850 63.999 63.100 0.082 0.000 0.795 328 P CB -0.191 31.549 31.700 0.067 0.000 0.775 329 V N 0.150 120.031 119.914 -0.055 0.000 2.295 329 V HA -0.186 3.931 4.120 -0.004 0.000 0.246 329 V C 2.820 178.852 176.094 -0.104 0.000 1.049 329 V CA 1.593 63.834 62.300 -0.098 0.000 1.024 329 V CB -1.112 30.633 31.823 -0.130 0.000 0.648 329 V HN -0.036 nan 8.190 nan 0.000 0.447 330 V N 0.767 120.641 119.914 -0.066 0.000 2.287 330 V HA -0.256 3.862 4.120 -0.004 0.000 0.248 330 V C 2.325 178.354 176.094 -0.109 0.000 1.053 330 V CA 2.596 64.851 62.300 -0.075 0.000 1.027 330 V CB -0.562 31.229 31.823 -0.054 0.000 0.646 330 V HN 0.719 nan 8.190 nan 0.000 0.447 331 I N -0.116 120.411 120.570 -0.072 0.000 2.439 331 I HA 0.097 4.265 4.170 -0.004 0.000 0.251 331 I C 2.292 178.247 176.117 -0.269 0.000 1.139 331 I CA 1.911 63.190 61.300 -0.035 0.000 1.438 331 I CB -1.178 36.898 38.000 0.128 0.000 1.085 331 I HN 0.116 nan 8.210 nan 0.000 0.427 332 G N 0.368 108.741 108.800 -0.712 0.000 2.476 332 G HA2 -0.364 3.594 3.960 -0.004 0.000 0.218 332 G HA3 -0.364 3.594 3.960 -0.004 0.000 0.218 332 G C 1.726 176.225 174.900 -0.669 0.000 1.164 332 G CA 1.180 45.353 45.100 -1.544 0.000 0.768 332 G HN 0.496 nan 8.290 nan 0.000 0.560 333 S N -0.207 115.266 115.700 -0.378 0.000 2.359 333 S HA -0.181 4.287 4.470 -0.004 0.000 0.224 333 S C 2.593 177.055 174.600 -0.229 0.000 1.035 333 S CA 2.318 60.364 58.200 -0.258 0.000 1.018 333 S CB -0.527 62.579 63.200 -0.157 0.000 0.876 333 S HN 0.703 nan 8.310 nan 0.000 0.448 334 V N 1.074 120.883 119.914 -0.174 0.000 2.667 334 V HA 0.052 4.170 4.120 -0.004 0.000 0.252 334 V C 2.307 178.350 176.094 -0.085 0.000 1.065 334 V CA 2.126 64.361 62.300 -0.107 0.000 1.083 334 V CB -0.815 30.973 31.823 -0.059 0.000 0.692 334 V HN 0.448 nan 8.190 nan 0.000 0.468 335 R N 1.543 121.998 120.500 -0.074 0.000 2.075 335 R HA 0.137 4.475 4.340 -0.004 0.000 0.232 335 R C 2.244 178.556 176.300 0.020 0.000 1.126 335 R CA 2.100 58.242 56.100 0.071 0.000 0.963 335 R CB -1.364 29.121 30.300 0.309 0.000 0.858 335 R HN 0.550 nan 8.270 nan 0.000 0.435 336 A N 0.814 123.466 122.820 -0.279 0.000 1.892 336 A HA -0.198 4.120 4.320 -0.004 0.000 0.218 336 A C 2.227 179.620 177.584 -0.319 0.000 1.188 336 A CA 1.886 53.496 52.037 -0.711 0.000 0.631 336 A CB -0.506 17.824 19.000 -1.116 0.000 0.822 336 A HN 0.423 nan 8.150 nan 0.000 0.447 337 R N -0.830 119.541 120.500 -0.215 0.000 2.115 337 R HA 0.102 4.440 4.340 -0.004 0.000 0.226 337 R C 1.975 178.225 176.300 -0.082 0.000 1.100 337 R CA 1.052 57.073 56.100 -0.132 0.000 0.980 337 R CB -0.367 29.878 30.300 -0.092 0.000 0.875 337 R HN 0.496 nan 8.270 nan 0.000 0.445 338 L N 0.499 121.687 121.223 -0.059 0.000 2.156 338 L HA -0.128 4.210 4.340 -0.004 0.000 0.208 338 L C 1.058 177.920 176.870 -0.014 0.000 1.095 338 L CA 0.915 55.739 54.840 -0.027 0.000 0.770 338 L CB -0.150 41.905 42.059 -0.007 0.000 0.914 338 L HN 0.089 nan 8.230 nan 0.000 0.439 339 D N -0.024 120.371 120.400 -0.008 0.000 2.363 339 D HA -0.069 4.569 4.640 -0.004 0.000 0.226 339 D C 1.705 178.003 176.300 -0.004 0.000 1.020 339 D CA 0.505 54.524 54.000 0.031 0.000 0.892 339 D CB 0.193 41.065 40.800 0.121 0.000 0.900 339 D HN 0.450 nan 8.370 nan 0.000 0.531 340 R N -0.718 119.757 120.500 -0.042 0.000 2.437 340 R HA 0.268 4.606 4.340 -0.004 0.000 0.257 340 R C 0.410 176.681 176.300 -0.047 0.000 0.927 340 R CA -0.233 55.837 56.100 -0.051 0.000 1.078 340 R CB -0.010 30.240 30.300 -0.083 0.000 1.161 340 R HN -0.025 nan 8.270 nan 0.000 0.529 341 L N 0.629 121.829 121.223 -0.039 0.000 2.439 341 L HA 0.267 4.605 4.340 -0.004 0.000 0.259 341 L C 0.526 177.380 176.870 -0.026 0.000 1.129 341 L CA -0.584 54.234 54.840 -0.036 0.000 0.803 341 L CB 0.732 42.771 42.059 -0.034 0.000 1.161 341 L HN -0.047 nan 8.230 nan 0.000 0.462 342 D N -0.885 119.499 120.400 -0.026 0.000 2.259 342 D HA -0.045 4.593 4.640 -0.004 0.000 0.216 342 D C 0.131 176.422 176.300 -0.014 0.000 0.961 342 D CA 0.674 54.662 54.000 -0.020 0.000 0.878 342 D CB 0.554 41.340 40.800 -0.024 0.000 1.009 342 D HN 0.323 nan 8.370 nan 0.000 0.490 343 E N 0.732 120.922 120.200 -0.016 0.000 2.165 343 E HA 0.375 4.723 4.350 -0.004 0.000 0.266 343 E C -2.703 173.888 176.600 -0.015 0.000 0.889 343 E CA -1.669 54.724 56.400 -0.013 0.000 0.756 343 E CB 2.290 31.982 29.700 -0.013 0.000 1.131 343 E HN 0.010 nan 8.360 nan 0.000 0.411 344 P HA 0.280 nan 4.420 nan 0.000 0.202 344 P C -0.615 176.677 177.300 -0.013 0.000 1.871 344 P CA -0.412 62.681 63.100 -0.011 0.000 1.068 344 P CB 0.000 31.699 31.700 -0.002 0.000 1.818 345 S N -0.281 115.408 115.700 -0.020 0.000 2.545 345 S HA 0.166 4.634 4.470 -0.004 0.000 0.275 345 S C 1.648 176.231 174.600 -0.028 0.000 1.299 345 S CA -0.009 58.177 58.200 -0.025 0.000 1.048 345 S CB 1.069 64.250 63.200 -0.031 0.000 0.938 345 S HN 0.265 nan 8.310 nan 0.000 0.496 346 S N 2.304 117.987 115.700 -0.029 0.000 2.392 346 S HA -0.306 4.162 4.470 -0.004 0.000 0.232 346 S C 1.677 176.258 174.600 -0.032 0.000 1.041 346 S CA 1.442 59.626 58.200 -0.027 0.000 1.026 346 S CB -1.121 62.062 63.200 -0.028 0.000 0.845 346 S HN 0.945 nan 8.310 nan 0.000 0.465 347 N N 1.588 120.262 118.700 -0.042 0.000 2.585 347 N HA -0.107 4.631 4.740 -0.004 0.000 0.188 347 N C 1.160 176.647 175.510 -0.037 0.000 1.102 347 N CA 0.922 53.945 53.050 -0.045 0.000 0.920 347 N CB -0.292 38.160 38.487 -0.060 0.000 0.963 347 N HN 0.533 nan 8.380 nan 0.000 0.447 348 K N -0.279 120.101 120.400 -0.032 0.000 2.356 348 K HA 0.217 4.535 4.320 -0.004 0.000 0.195 348 K C -0.320 176.266 176.600 -0.022 0.000 1.037 348 K CA 0.156 56.426 56.287 -0.028 0.000 1.014 348 K CB 0.836 33.320 32.500 -0.028 0.000 0.815 348 K HN -0.015 nan 8.250 nan 0.000 0.507 349 V N 2.113 122.013 119.914 -0.023 0.000 2.525 349 V HA 0.253 4.371 4.120 -0.004 0.000 0.299 349 V C -1.380 174.699 176.094 -0.024 0.000 1.034 349 V CA -1.041 61.247 62.300 -0.021 0.000 0.863 349 V CB 1.671 33.480 31.823 -0.024 0.000 0.999 349 V HN -0.007 nan 8.190 nan 0.000 0.423 350 L N 8.767 129.974 121.223 -0.028 0.000 2.287 350 L HA 0.795 5.133 4.340 -0.004 0.000 0.287 350 L C -2.623 174.225 176.870 -0.037 0.000 1.022 350 L CA -1.710 53.113 54.840 -0.029 0.000 0.814 350 L CB 1.709 43.749 42.059 -0.030 0.000 1.217 350 L HN 0.370 nan 8.230 nan 0.000 0.420 351 P HA 0.438 nan 4.420 nan 0.000 0.290 351 P C -1.076 176.194 177.300 -0.050 0.000 1.276 351 P CA -0.088 62.987 63.100 -0.041 0.000 0.808 351 P CB 1.131 32.815 31.700 -0.027 0.000 0.966 352 I N 2.465 122.994 120.570 -0.067 0.000 2.466 352 I HA 0.392 4.560 4.170 -0.004 0.000 0.289 352 I C 0.055 176.109 176.117 -0.105 0.000 1.026 352 I CA -0.484 60.768 61.300 -0.081 0.000 1.078 352 I CB 2.273 40.220 38.000 -0.088 0.000 1.249 352 I HN 0.301 nan 8.210 nan 0.000 0.429 353 T N 4.365 118.848 114.554 -0.117 0.000 2.841 353 T HA 0.714 5.062 4.350 -0.004 0.000 0.283 353 T C -0.566 173.932 174.700 -0.338 0.000 1.000 353 T CA -0.656 61.310 62.100 -0.224 0.000 0.977 353 T CB 1.718 70.479 68.868 -0.178 0.000 0.979 353 T HN 0.297 nan 8.240 nan 0.000 0.446 354 I N 3.808 124.113 120.570 -0.443 0.000 2.404 354 I HA 0.436 4.604 4.170 -0.004 0.000 0.293 354 I C 0.108 175.918 176.117 -0.513 0.000 0.992 354 I CA -0.956 60.135 61.300 -0.349 0.000 1.149 354 I CB 1.133 39.010 38.000 -0.204 0.000 1.315 354 I HN 0.632 nan 8.210 nan 0.000 0.446 355 H N 3.549 122.585 119.070 -0.057 0.000 2.797 355 H HA 0.521 5.075 4.556 -0.003 0.000 0.372 355 H C -0.151 175.143 175.328 -0.056 0.000 1.168 355 H CA -0.811 55.209 56.048 -0.045 0.000 1.163 355 H CB 2.289 32.044 29.762 -0.012 0.000 1.778 355 H HN 0.714 nan 8.280 nan 0.000 0.551 356 G N 0.054 108.899 108.800 0.076 0.000 2.410 356 G HA2 0.087 4.045 3.960 -0.004 0.000 0.330 356 G HA3 0.087 4.045 3.960 -0.004 0.000 0.330 356 G C 0.749 175.664 174.900 0.025 0.000 1.142 356 G CA -0.546 44.565 45.100 0.018 0.000 0.902 356 G HN 0.719 nan 8.290 nan 0.000 0.491 357 D N 1.375 121.767 120.400 -0.014 0.000 2.133 357 D HA -0.259 4.379 4.640 -0.004 0.000 0.192 357 D C 2.292 178.587 176.300 -0.009 0.000 1.001 357 D CA 1.563 55.528 54.000 -0.060 0.000 0.844 357 D CB -0.389 40.348 40.800 -0.105 0.000 0.944 357 D HN 0.390 nan 8.370 nan 0.000 0.447 358 A N 1.543 124.380 122.820 0.029 0.000 1.898 358 A HA 0.165 4.483 4.320 -0.004 0.000 0.216 358 A C 2.551 180.159 177.584 0.040 0.000 1.181 358 A CA 2.264 54.328 52.037 0.045 0.000 0.620 358 A CB -0.846 18.187 19.000 0.055 0.000 0.819 358 A HN 0.369 nan 8.150 nan 0.000 0.442 359 A N -0.707 122.141 122.820 0.047 0.000 1.933 359 A HA -0.030 4.288 4.320 -0.004 0.000 0.218 359 A C 2.318 179.931 177.584 0.048 0.000 1.175 359 A CA 1.853 53.924 52.037 0.057 0.000 0.628 359 A CB -0.933 18.114 19.000 0.077 0.000 0.814 359 A HN 0.868 nan 8.150 nan 0.000 0.444 360 V N 0.384 120.315 119.914 0.028 0.000 2.591 360 V HA -0.123 3.994 4.120 -0.004 0.000 0.249 360 V C 2.628 178.710 176.094 -0.020 0.000 1.053 360 V CA 2.771 65.059 62.300 -0.020 0.000 1.068 360 V CB -0.633 31.144 31.823 -0.077 0.000 0.689 360 V HN 0.801 nan 8.190 nan 0.000 0.462 361 T N -3.116 111.435 114.554 -0.005 0.000 3.043 361 T HA 0.127 4.475 4.350 -0.004 0.000 0.263 361 T C 1.714 176.423 174.700 0.015 0.000 1.094 361 T CA 1.078 63.180 62.100 0.003 0.000 1.127 361 T CB -0.071 68.809 68.868 0.020 0.000 0.905 361 T HN 0.512 nan 8.240 nan 0.000 0.490 362 G N 0.165 108.979 108.800 0.024 0.000 2.921 362 G HA2 0.207 4.165 3.960 -0.004 0.000 0.213 362 G HA3 0.207 4.165 3.960 -0.004 0.000 0.213 362 G C 0.495 175.414 174.900 0.032 0.000 1.143 362 G CA -0.317 44.801 45.100 0.029 0.000 0.764 362 G HN 0.393 nan 8.290 nan 0.000 0.542 363 Q N 0.539 120.360 119.800 0.036 0.000 2.307 363 Q HA 0.391 4.729 4.340 -0.004 0.000 0.262 363 Q C 0.838 176.860 176.000 0.036 0.000 0.961 363 Q CA -0.388 55.441 55.803 0.044 0.000 0.882 363 Q CB 1.812 30.587 28.738 0.061 0.000 1.264 363 Q HN 0.144 nan 8.270 nan 0.000 0.446 364 G N 1.474 110.294 108.800 0.034 0.000 2.744 364 G HA2 -0.103 3.855 3.960 -0.004 0.000 0.211 364 G HA3 -0.103 3.855 3.960 -0.004 0.000 0.211 364 G C 1.087 176.001 174.900 0.023 0.000 1.143 364 G CA 0.154 45.269 45.100 0.025 0.000 0.788 364 G HN 0.470 nan 8.290 nan 0.000 0.534 365 V N 0.595 120.529 119.914 0.033 0.000 2.913 365 V HA -0.117 4.001 4.120 -0.004 0.000 0.260 365 V C 2.736 178.848 176.094 0.030 0.000 1.098 365 V CA 1.385 63.703 62.300 0.030 0.000 1.121 365 V CB -0.072 31.777 31.823 0.043 0.000 0.714 365 V HN 0.206 nan 8.190 nan 0.000 0.487 366 V N 0.111 120.044 119.914 0.032 0.000 2.295 366 V HA -0.323 3.794 4.120 -0.004 0.000 0.246 366 V C 2.391 178.496 176.094 0.019 0.000 1.049 366 V CA 2.536 64.850 62.300 0.023 0.000 1.024 366 V CB -0.882 30.943 31.823 0.003 0.000 0.648 366 V HN 0.701 nan 8.190 nan 0.000 0.447 367 Q N 0.196 120.003 119.800 0.013 0.000 2.045 367 Q HA -0.290 4.048 4.340 -0.004 0.000 0.206 367 Q C 2.261 178.260 176.000 -0.002 0.000 0.991 367 Q CA 2.364 58.171 55.803 0.007 0.000 0.851 367 Q CB -0.199 28.541 28.738 0.003 0.000 0.911 367 Q HN 0.723 nan 8.270 nan 0.000 0.418 368 E N -0.590 119.606 120.200 -0.008 0.000 2.085 368 E HA -0.165 4.183 4.350 -0.004 0.000 0.194 368 E C 2.014 178.590 176.600 -0.039 0.000 0.994 368 E CA 1.703 58.086 56.400 -0.028 0.000 0.801 368 E CB -0.006 29.679 29.700 -0.026 0.000 0.743 368 E HN 0.441 nan 8.360 nan 0.000 0.453 369 T N 1.388 115.935 114.554 -0.012 0.000 2.777 369 T HA -0.084 4.264 4.350 -0.004 0.000 0.266 369 T C 1.994 176.694 174.700 -0.001 0.000 1.040 369 T CA 0.666 62.766 62.100 -0.000 0.000 1.141 369 T CB -0.129 68.760 68.868 0.035 0.000 0.868 369 T HN 0.062 nan 8.240 nan 0.000 0.444 370 L N 1.276 122.506 121.223 0.012 0.000 2.017 370 L HA -0.107 4.231 4.340 -0.004 0.000 0.208 370 L C 2.619 179.488 176.870 -0.001 0.000 1.073 370 L CA 1.312 56.166 54.840 0.023 0.000 0.745 370 L CB -0.574 41.514 42.059 0.048 0.000 0.894 370 L HN 0.266 nan 8.230 nan 0.000 0.432 371 N N 0.396 119.085 118.700 -0.019 0.000 2.104 371 N HA -0.273 4.465 4.740 -0.004 0.000 0.190 371 N C 1.908 177.374 175.510 -0.072 0.000 1.024 371 N CA 1.837 54.864 53.050 -0.038 0.000 0.853 371 N CB -0.122 38.338 38.487 -0.045 0.000 1.008 371 N HN 0.332 nan 8.380 nan 0.000 0.424 372 M N -0.373 119.161 119.600 -0.110 0.000 2.287 372 M HA -0.001 4.477 4.480 -0.004 0.000 0.266 372 M C 1.608 177.819 176.300 -0.148 0.000 1.079 372 M CA 1.440 56.615 55.300 -0.210 0.000 1.146 372 M CB -0.241 32.167 32.600 -0.320 0.000 1.374 372 M HN 0.236 nan 8.290 nan 0.000 0.435 373 S N 0.073 115.736 115.700 -0.063 0.000 2.584 373 S HA -0.061 4.407 4.470 -0.004 0.000 0.240 373 S C 1.477 176.070 174.600 -0.010 0.000 0.975 373 S CA 1.094 59.288 58.200 -0.009 0.000 0.949 373 S CB -0.537 62.678 63.200 0.025 0.000 0.761 373 S HN 0.560 nan 8.310 nan 0.000 0.536 374 K N 0.231 120.614 120.400 -0.028 0.000 2.356 374 K HA 0.548 4.866 4.320 -0.004 0.000 0.195 374 K C 0.831 177.420 176.600 -0.019 0.000 1.037 374 K CA 0.509 56.787 56.287 -0.015 0.000 1.014 374 K CB 0.135 32.628 32.500 -0.012 0.000 0.815 374 K HN 0.688 nan 8.250 nan 0.000 0.507 375 A N 1.743 124.544 122.820 -0.031 0.000 2.306 375 A HA 0.472 4.790 4.320 -0.004 0.000 0.314 375 A C 0.438 178.007 177.584 -0.025 0.000 1.164 375 A CA -0.697 51.337 52.037 -0.006 0.000 0.822 375 A CB 0.522 19.512 19.000 -0.017 0.000 1.130 375 A HN 0.394 nan 8.150 nan 0.000 0.496 376 R N 1.285 121.765 120.500 -0.033 0.000 2.489 376 R HA 0.510 4.848 4.340 -0.004 0.000 0.287 376 R C 1.007 176.965 176.300 -0.571 0.000 1.053 376 R CA 0.275 56.278 56.100 -0.163 0.000 1.036 376 R CB -0.649 29.677 30.300 0.043 0.000 0.966 376 R HN 2.712 nan 8.270 nan 0.000 0.432 377 G N 0.608 108.629 108.800 -1.298 0.000 2.176 377 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.232 377 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.232 377 G C 0.247 174.087 174.900 -1.766 0.000 0.986 377 G CA 0.469 44.021 45.100 -2.579 0.000 0.643 377 G HN 0.811 nan 8.290 nan 0.000 0.522 378 Y N 0.565 120.431 120.300 -0.724 0.000 2.438 378 Y HA 0.262 4.810 4.550 -0.003 0.000 0.274 378 Y C 1.375 177.133 175.900 -0.237 0.000 1.085 378 Y CA 0.077 57.783 58.100 -0.656 0.000 1.199 378 Y CB 0.227 38.196 38.460 -0.819 0.000 1.317 378 Y HN 0.472 nan 8.280 nan 0.000 0.545 379 E N 2.477 122.629 120.200 -0.080 0.000 2.415 379 E HA 0.187 4.535 4.350 -0.004 0.000 0.262 379 E C 0.415 177.031 176.600 0.026 0.000 1.038 379 E CA 0.626 57.019 56.400 -0.012 0.000 0.921 379 E CB 1.661 31.340 29.700 -0.036 0.000 0.950 379 E HN 0.166 nan 8.360 nan 0.000 0.438 380 V N -0.994 118.948 119.914 0.047 0.000 3.172 380 V HA 0.414 4.531 4.120 -0.004 0.000 0.343 380 V C 0.808 176.912 176.094 0.018 0.000 1.429 380 V CA 0.046 62.372 62.300 0.043 0.000 1.149 380 V CB -0.143 31.721 31.823 0.068 0.000 1.106 380 V HN 1.004 nan 8.190 nan 0.000 0.526 381 G N -0.247 108.559 108.800 0.010 0.000 2.176 381 G HA2 0.261 4.219 3.960 -0.004 0.000 0.252 381 G HA3 0.261 4.219 3.960 -0.004 0.000 0.252 381 G C 1.139 176.046 174.900 0.012 0.000 1.024 381 G CA 0.324 45.425 45.100 0.001 0.000 0.755 381 G HN 2.650 nan 8.290 nan 0.000 0.507 382 G N -2.302 106.513 108.800 0.024 0.000 2.721 382 G HA2 0.356 4.313 3.960 -0.004 0.000 0.686 382 G HA3 0.356 4.313 3.960 -0.004 0.000 0.686 382 G C -0.276 174.634 174.900 0.016 0.000 1.236 382 G CA 0.110 45.229 45.100 0.032 0.000 0.786 382 G HN 1.510 nan 8.290 nan 0.000 0.616 383 T N 0.872 115.423 114.554 -0.005 0.000 2.855 383 T HA 0.574 4.921 4.350 -0.004 0.000 0.281 383 T C 0.495 175.154 174.700 -0.069 0.000 1.007 383 T CA -0.493 61.587 62.100 -0.034 0.000 1.009 383 T CB 1.968 70.810 68.868 -0.043 0.000 0.983 383 T HN 0.958 nan 8.240 nan 0.000 0.455 384 V N 4.622 124.502 119.914 -0.057 0.000 2.389 384 V HA 0.300 4.418 4.120 -0.004 0.000 0.264 384 V C 0.518 176.542 176.094 -0.117 0.000 1.049 384 V CA -0.339 61.919 62.300 -0.070 0.000 0.932 384 V CB 0.073 31.879 31.823 -0.028 0.000 1.011 384 V HN 0.651 nan 8.190 nan 0.000 0.475 385 R N 5.642 126.009 120.500 -0.222 0.000 2.265 385 R HA 0.578 4.916 4.340 -0.004 0.000 0.328 385 R C -0.924 175.332 176.300 -0.072 0.000 0.969 385 R CA -0.512 55.462 56.100 -0.210 0.000 0.832 385 R CB 1.695 31.614 30.300 -0.635 0.000 1.139 385 R HN 0.580 nan 8.270 nan 0.000 0.457 386 I N 3.264 123.847 120.570 0.022 0.000 2.336 386 I HA 0.234 4.402 4.170 -0.004 0.000 0.292 386 I C -0.143 176.038 176.117 0.106 0.000 0.991 386 I CA -0.906 60.418 61.300 0.040 0.000 1.227 386 I CB 1.877 39.866 38.000 -0.018 0.000 1.366 386 I HN 0.166 nan 8.210 nan 0.000 0.466 387 V N 7.647 127.619 119.914 0.097 0.000 2.347 387 V HA 0.354 4.472 4.120 -0.004 0.000 0.280 387 V C 0.245 176.352 176.094 0.021 0.000 1.021 387 V CA -0.478 61.873 62.300 0.085 0.000 0.847 387 V CB 1.588 33.447 31.823 0.060 0.000 0.990 387 V HN 0.498 nan 8.190 nan 0.000 0.444 388 I N 4.857 125.429 120.570 0.004 0.000 2.269 388 I HA 0.211 4.379 4.170 -0.004 0.000 0.293 388 I C 0.360 176.466 176.117 -0.019 0.000 1.106 388 I CA -0.060 61.229 61.300 -0.019 0.000 1.248 388 I CB 0.351 38.326 38.000 -0.042 0.000 1.444 388 I HN 0.533 nan 8.210 nan 0.000 0.497 389 N N 6.052 124.743 118.700 -0.015 0.000 2.469 389 N HA 0.157 4.895 4.740 -0.004 0.000 0.239 389 N C 0.134 175.671 175.510 0.044 0.000 1.053 389 N CA 0.092 53.128 53.050 -0.023 0.000 0.937 389 N CB 0.535 38.993 38.487 -0.050 0.000 1.163 389 N HN 0.432 nan 8.380 nan 0.000 0.509 390 N N 2.165 120.901 118.700 0.059 0.000 2.530 390 N HA 0.015 4.752 4.740 -0.004 0.000 0.216 390 N C 0.698 176.291 175.510 0.138 0.000 1.031 390 N CA 0.621 53.732 53.050 0.102 0.000 1.063 390 N CB -0.855 37.685 38.487 0.088 0.000 1.346 390 N HN 0.663 nan 8.380 nan 0.000 0.515 408 C N 0.085 119.495 119.300 0.184 0.000 2.464 408 C HA 0.119 4.577 4.460 -0.004 0.000 0.278 408 C C 1.793 176.700 174.990 -0.138 0.000 1.375 408 C CA 1.319 60.280 59.018 -0.094 0.000 1.761 408 C CB -1.931 25.585 27.740 -0.374 0.000 1.944 408 C HN 0.741 nan 8.230 nan 0.000 0.509 409 T N -2.689 111.757 114.554 -0.180 0.000 3.317 409 T HA 0.060 4.408 4.350 -0.004 0.000 0.250 409 T C 0.628 175.100 174.700 -0.380 0.000 1.106 409 T CA 0.890 62.800 62.100 -0.316 0.000 0.986 409 T CB -0.625 68.053 68.868 -0.317 0.000 1.010 409 T HN 0.409 nan 8.240 nan 0.000 0.560 410 D N 0.367 120.649 120.400 -0.197 0.000 2.349 410 D HA 0.179 4.816 4.640 -0.004 0.000 0.215 410 D C 1.483 177.681 176.300 -0.170 0.000 1.016 410 D CA -0.234 53.669 54.000 -0.162 0.000 0.870 410 D CB -0.138 40.627 40.800 -0.058 0.000 0.917 410 D HN 0.348 nan 8.370 nan 0.000 0.524 411 I N 0.220 120.683 120.570 -0.179 0.000 2.493 411 I HA -0.028 4.140 4.170 -0.004 0.000 0.254 411 I C 1.928 177.947 176.117 -0.164 0.000 1.160 411 I CA 0.853 62.076 61.300 -0.129 0.000 1.445 411 I CB -0.261 37.693 38.000 -0.076 0.000 1.086 411 I HN -0.006 nan 8.210 nan 0.000 0.433 412 G N -0.551 108.015 108.800 -0.391 0.000 3.186 412 G HA2 -0.078 3.880 3.960 -0.004 0.000 0.214 412 G HA3 -0.078 3.880 3.960 -0.004 0.000 0.214 412 G C 1.328 176.124 174.900 -0.173 0.000 1.222 412 G CA 0.229 45.082 45.100 -0.411 0.000 0.921 412 G HN 0.307 nan 8.290 nan 0.000 0.504 413 K N -0.511 119.817 120.400 -0.120 0.000 2.450 413 K HA 0.304 4.622 4.320 -0.004 0.000 0.206 413 K C 2.058 178.654 176.600 -0.006 0.000 1.148 413 K CA 0.079 56.345 56.287 -0.035 0.000 1.014 413 K CB 0.096 32.541 32.500 -0.090 0.000 0.966 413 K HN 0.471 nan 8.250 nan 0.000 0.566 414 M N 1.350 120.939 119.600 -0.018 0.000 2.117 414 M HA -0.089 4.389 4.480 -0.004 0.000 0.262 414 M C 1.311 177.622 176.300 0.019 0.000 1.065 414 M CA 1.952 57.252 55.300 0.000 0.000 1.114 414 M CB -0.297 32.301 32.600 -0.004 0.000 1.361 414 M HN 0.125 nan 8.290 nan 0.000 0.408 415 V N 0.398 120.332 119.914 0.034 0.000 3.781 415 V HA 0.184 4.302 4.120 -0.004 0.000 0.271 415 V C -0.097 176.032 176.094 0.058 0.000 0.951 415 V CA -0.458 61.872 62.300 0.051 0.000 0.896 415 V CB 0.477 32.346 31.823 0.077 0.000 1.224 415 V HN 0.594 nan 8.190 nan 0.000 0.403 416 Q N 0.467 120.309 119.800 0.068 0.000 3.021 416 Q HA 0.749 5.087 4.340 -0.004 0.000 0.234 416 Q C -1.006 175.019 176.000 0.042 0.000 0.930 416 Q CA -0.443 55.403 55.803 0.071 0.000 0.714 416 Q CB 1.062 29.824 28.738 0.040 0.000 1.325 416 Q HN 1.276 nan 8.270 nan 0.000 0.473 417 A N 3.404 126.269 122.820 0.075 0.000 2.355 417 A HA 0.862 5.180 4.320 -0.004 0.000 0.324 417 A C -2.623 174.930 177.584 -0.052 0.000 1.117 417 A CA -1.926 50.146 52.037 0.058 0.000 0.785 417 A CB 0.934 20.079 19.000 0.242 0.000 1.254 417 A HN 0.616 nan 8.150 nan 0.000 0.453 418 P HA 0.197 nan 4.420 nan 0.000 0.266 418 P C -0.832 176.207 177.300 -0.436 0.000 1.195 418 P CA 0.567 63.367 63.100 -0.500 0.000 0.768 418 P CB 0.432 31.563 31.700 -0.950 0.000 0.838 419 I N 3.529 123.808 120.570 -0.486 0.000 2.410 419 I HA 0.274 4.442 4.170 -0.004 0.000 0.286 419 I C -0.302 175.443 176.117 -0.619 0.000 1.009 419 I CA -0.654 60.374 61.300 -0.453 0.000 1.111 419 I CB 0.836 38.601 38.000 -0.392 0.000 1.262 419 I HN 0.122 nan 8.210 nan 0.000 0.443 420 F N 4.515 124.365 119.950 -0.166 0.000 2.361 420 F HA 0.372 4.897 4.527 -0.003 0.000 0.364 420 F C 0.826 176.525 175.800 -0.169 0.000 1.120 420 F CA -0.505 57.436 58.000 -0.099 0.000 1.102 420 F CB 0.411 39.391 39.000 -0.032 0.000 1.183 420 F HN 0.352 nan 8.300 nan 0.000 0.476 421 H N 2.472 121.666 119.070 0.207 0.000 2.548 421 H HA 0.624 5.178 4.556 -0.003 0.000 0.331 421 H C -0.444 174.983 175.328 0.165 0.000 1.093 421 H CA -0.431 55.711 56.048 0.156 0.000 1.367 421 H CB 2.431 32.276 29.762 0.137 0.000 1.455 421 H HN 0.493 nan 8.280 nan 0.000 0.519 422 V N 3.088 123.139 119.914 0.228 0.000 3.120 422 V HA 0.141 4.259 4.120 -0.004 0.000 0.303 422 V C -0.794 175.371 176.094 0.119 0.000 1.238 422 V CA -0.952 61.444 62.300 0.160 0.000 1.008 422 V CB 2.621 34.513 31.823 0.115 0.000 1.064 422 V HN 0.785 nan 8.190 nan 0.000 0.434 423 N N 4.053 122.812 118.700 0.098 0.000 2.401 423 N HA 0.326 5.064 4.740 -0.004 0.000 0.255 423 N C 0.926 176.466 175.510 0.050 0.000 1.110 423 N CA 0.517 53.619 53.050 0.086 0.000 0.949 423 N CB 1.739 40.279 38.487 0.088 0.000 1.110 423 N HN 0.919 nan 8.380 nan 0.000 0.490 424 A N 3.438 126.286 122.820 0.046 0.000 2.131 424 A HA -0.149 4.168 4.320 -0.004 0.000 0.220 424 A C 1.312 178.890 177.584 -0.010 0.000 1.158 424 A CA 1.227 53.262 52.037 -0.003 0.000 0.665 424 A CB -0.057 18.930 19.000 -0.022 0.000 0.795 424 A HN 0.673 nan 8.150 nan 0.000 0.460 425 D N -0.433 119.997 120.400 0.050 0.000 2.355 425 D HA 0.032 4.670 4.640 -0.004 0.000 0.218 425 D C -0.243 176.064 176.300 0.012 0.000 1.004 425 D CA 0.483 54.523 54.000 0.065 0.000 0.880 425 D CB 0.093 40.987 40.800 0.157 0.000 0.911 425 D HN 0.335 nan 8.370 nan 0.000 0.528 426 D N -0.035 120.350 120.400 -0.025 0.000 2.472 426 D HA 0.116 4.754 4.640 -0.004 0.000 0.234 426 D C -1.663 174.508 176.300 -0.214 0.000 1.088 426 D CA -2.196 51.765 54.000 -0.065 0.000 0.882 426 D CB 1.841 42.642 40.800 0.001 0.000 1.037 426 D HN -0.067 nan 8.370 nan 0.000 0.520 427 P HA -0.131 nan 4.420 nan 0.000 0.217 427 P C 0.891 177.698 177.300 -0.822 0.000 1.150 427 P CA 0.959 63.640 63.100 -0.698 0.000 0.832 427 P CB 0.665 31.738 31.700 -1.046 0.000 0.787 428 E N 0.524 120.363 120.200 -0.603 0.000 2.051 428 E HA -0.140 4.208 4.350 -0.004 0.000 0.192 428 E C 2.286 178.886 176.600 -0.001 0.000 0.991 428 E CA 1.347 57.574 56.400 -0.288 0.000 0.799 428 E CB -0.662 29.137 29.700 0.166 0.000 0.748 428 E HN 0.187 nan 8.360 nan 0.000 0.449 429 A N 1.191 124.006 122.820 -0.009 0.000 1.972 429 A HA -0.125 4.193 4.320 -0.004 0.000 0.219 429 A C 2.507 180.116 177.584 0.040 0.000 1.169 429 A CA 1.060 53.127 52.037 0.051 0.000 0.635 429 A CB -0.533 18.483 19.000 0.027 0.000 0.810 429 A HN 0.109 nan 8.150 nan 0.000 0.446 430 V N -0.269 119.586 119.914 -0.097 0.000 2.358 430 V HA -0.212 3.906 4.120 -0.004 0.000 0.246 430 V C 3.054 179.078 176.094 -0.117 0.000 1.047 430 V CA 1.770 64.001 62.300 -0.116 0.000 1.035 430 V CB -1.215 30.494 31.823 -0.191 0.000 0.658 430 V HN 0.607 nan 8.190 nan 0.000 0.452 431 A N -0.230 122.466 122.820 -0.206 0.000 1.883 431 A HA -0.283 4.035 4.320 -0.004 0.000 0.217 431 A C 2.134 179.767 177.584 0.081 0.000 1.186 431 A CA 2.293 54.279 52.037 -0.084 0.000 0.624 431 A CB -0.764 18.142 19.000 -0.156 0.000 0.822 431 A HN 0.555 nan 8.150 nan 0.000 0.444 432 F N 0.605 120.587 119.950 0.053 0.000 2.113 432 F HA -0.132 4.392 4.527 -0.004 0.000 0.297 432 F C 2.206 177.930 175.800 -0.127 0.000 1.103 432 F CA 2.010 60.022 58.000 0.019 0.000 1.248 432 F CB -0.304 38.705 39.000 0.014 0.000 0.999 432 F HN 0.017 nan 8.300 nan 0.000 0.475 433 V N 0.135 120.028 119.914 -0.034 0.000 2.490 433 V HA -0.304 3.814 4.120 -0.004 0.000 0.250 433 V C 2.283 178.182 176.094 -0.324 0.000 1.061 433 V CA 2.275 64.423 62.300 -0.254 0.000 1.064 433 V CB -1.164 30.616 31.823 -0.072 0.000 0.670 433 V HN 0.463 nan 8.190 nan 0.000 0.461 434 T N 0.024 114.457 114.554 -0.201 0.000 2.622 434 T HA -0.251 4.097 4.350 -0.004 0.000 0.266 434 T C 2.053 176.602 174.700 -0.251 0.000 1.047 434 T CA 1.920 63.917 62.100 -0.171 0.000 1.159 434 T CB -0.276 68.524 68.868 -0.114 0.000 0.863 434 T HN 0.447 nan 8.240 nan 0.000 0.422 435 R N 0.378 120.646 120.500 -0.386 0.000 2.096 435 R HA -0.067 4.271 4.340 -0.004 0.000 0.240 435 R C 2.443 178.498 176.300 -0.408 0.000 1.139 435 R CA 1.250 56.979 56.100 -0.619 0.000 0.952 435 R CB -0.807 29.026 30.300 -0.779 0.000 0.854 435 R HN 0.208 nan 8.270 nan 0.000 0.436 436 L N 0.782 121.672 121.223 -0.555 0.000 1.990 436 L HA -0.241 4.096 4.340 -0.004 0.000 0.213 436 L C 2.356 179.135 176.870 -0.152 0.000 1.072 436 L CA 2.252 56.811 54.840 -0.468 0.000 0.755 436 L CB -0.664 40.868 42.059 -0.878 0.000 0.889 436 L HN 0.226 nan 8.230 nan 0.000 0.432 437 A N -1.176 121.495 122.820 -0.249 0.000 1.902 437 A HA -0.198 4.120 4.320 -0.004 0.000 0.217 437 A C 2.212 179.894 177.584 0.162 0.000 1.181 437 A CA 1.934 53.998 52.037 0.045 0.000 0.623 437 A CB -0.957 18.071 19.000 0.045 0.000 0.818 437 A HN 0.459 nan 8.150 nan 0.000 0.443 438 L N 0.149 121.417 121.223 0.076 0.000 2.005 438 L HA -0.137 4.201 4.340 -0.004 0.000 0.207 438 L C 1.713 178.684 176.870 0.167 0.000 1.072 438 L CA 2.435 57.348 54.840 0.121 0.000 0.744 438 L CB -0.807 41.335 42.059 0.138 0.000 0.895 438 L HN 0.334 nan 8.230 nan 0.000 0.433 439 D N -0.917 119.615 120.400 0.220 0.000 2.133 439 D HA -0.289 4.349 4.640 -0.004 0.000 0.195 439 D C 2.064 178.431 176.300 0.112 0.000 0.997 439 D CA 1.704 55.858 54.000 0.256 0.000 0.840 439 D CB -0.356 40.700 40.800 0.427 0.000 0.947 439 D HN 0.427 nan 8.370 nan 0.000 0.452 440 F N 1.244 121.231 119.950 0.063 0.000 2.134 440 F HA -0.146 4.379 4.527 -0.003 0.000 0.299 440 F C 2.345 178.079 175.800 -0.110 0.000 1.097 440 F CA 1.222 59.117 58.000 -0.176 0.000 1.264 440 F CB 0.076 39.183 39.000 0.179 0.000 1.001 440 F HN -0.204 nan 8.300 nan 0.000 0.479 441 R N 0.864 121.499 120.500 0.226 0.000 2.073 441 R HA -0.138 4.200 4.340 -0.004 0.000 0.229 441 R C 1.715 177.976 176.300 -0.065 0.000 1.120 441 R CA 1.651 57.827 56.100 0.127 0.000 0.967 441 R CB -0.937 29.457 30.300 0.157 0.000 0.862 441 R HN 0.292 nan 8.270 nan 0.000 0.436 442 N N 0.142 118.793 118.700 -0.081 0.000 2.223 442 N HA -0.094 4.643 4.740 -0.004 0.000 0.185 442 N C 1.525 176.880 175.510 -0.258 0.000 1.016 442 N CA 1.734 54.708 53.050 -0.127 0.000 0.863 442 N CB -0.363 38.076 38.487 -0.080 0.000 0.983 442 N HN 0.254 nan 8.380 nan 0.000 0.429 443 T N -0.234 114.043 114.554 -0.462 0.000 2.770 443 T HA 0.054 4.402 4.350 -0.004 0.000 0.258 443 T C 1.016 175.196 174.700 -0.867 0.000 1.039 443 T CA 0.859 62.472 62.100 -0.811 0.000 1.143 443 T CB -0.082 67.960 68.868 -1.377 0.000 0.866 443 T HN 0.134 nan 8.240 nan 0.000 0.428 444 F N 0.422 120.016 119.950 -0.592 0.000 2.678 444 F HA 0.448 4.973 4.527 -0.003 0.000 0.305 444 F C 0.712 176.329 175.800 -0.306 0.000 1.090 444 F CA -0.567 57.104 58.000 -0.548 0.000 1.272 444 F CB 0.044 38.482 39.000 -0.937 0.000 1.060 444 F HN -0.125 nan 8.300 nan 0.000 0.576 445 K N 0.618 120.965 120.400 -0.089 0.000 3.117 445 K HA -0.213 4.105 4.320 -0.004 0.000 0.269 445 K C -0.300 176.315 176.600 0.026 0.000 1.098 445 K CA 0.396 56.666 56.287 -0.029 0.000 0.785 445 K CB -1.146 31.335 32.500 -0.031 0.000 1.242 445 K HN 0.279 nan 8.250 nan 0.000 0.491 446 R N 0.253 120.801 120.500 0.079 0.000 2.744 446 R HA 0.257 4.595 4.340 -0.004 0.000 0.279 446 R C -0.981 175.428 176.300 0.183 0.000 0.977 446 R CA -1.160 55.029 56.100 0.147 0.000 0.906 446 R CB 1.271 31.706 30.300 0.225 0.000 1.197 446 R HN 0.019 nan 8.270 nan 0.000 0.463 447 D N 1.323 121.796 120.400 0.123 0.000 2.533 447 D HA 0.059 4.697 4.640 -0.004 0.000 0.236 447 D C -0.566 175.801 176.300 0.111 0.000 1.137 447 D CA 0.512 54.549 54.000 0.061 0.000 0.867 447 D CB 1.041 41.848 40.800 0.012 0.000 1.170 447 D HN 0.046 nan 8.370 nan 0.000 0.474 448 V N 3.020 122.951 119.914 0.028 0.000 2.914 448 V HA 0.610 4.728 4.120 -0.004 0.000 0.314 448 V C -1.448 174.599 176.094 -0.078 0.000 1.084 448 V CA -0.750 61.578 62.300 0.045 0.000 0.963 448 V CB 1.600 33.494 31.823 0.118 0.000 1.025 448 V HN 0.344 nan 8.190 nan 0.000 0.432 449 F N 5.484 125.402 119.950 -0.052 0.000 2.467 449 F HA 0.621 5.146 4.527 -0.003 0.000 0.336 449 F C 0.225 176.008 175.800 -0.029 0.000 1.123 449 F CA -0.577 57.388 58.000 -0.058 0.000 0.964 449 F CB 1.806 40.729 39.000 -0.129 0.000 1.136 449 F HN 0.261 nan 8.300 nan 0.000 0.447 450 I N 2.989 123.647 120.570 0.148 0.000 2.330 450 I HA 0.163 4.331 4.170 -0.004 0.000 0.286 450 I C -0.569 175.585 176.117 0.062 0.000 1.025 450 I CA -0.595 60.772 61.300 0.112 0.000 1.197 450 I CB 1.088 39.134 38.000 0.076 0.000 1.358 450 I HN 0.427 nan 8.210 nan 0.000 0.467 451 D N 7.254 127.650 120.400 -0.008 0.000 2.402 451 D HA 0.125 4.763 4.640 -0.004 0.000 0.235 451 D C -0.569 175.769 176.300 0.064 0.000 1.226 451 D CA -0.377 53.623 54.000 -0.000 0.000 0.918 451 D CB 0.729 41.495 40.800 -0.058 0.000 1.043 451 D HN 0.255 nan 8.370 nan 0.000 0.506 452 L N 5.651 126.900 121.223 0.043 0.000 2.363 452 L HA 0.224 4.562 4.340 -0.004 0.000 0.286 452 L C -0.899 175.998 176.870 0.046 0.000 1.106 452 L CA -0.380 54.482 54.840 0.037 0.000 0.859 452 L CB 0.721 42.781 42.059 0.002 0.000 1.223 452 L HN 0.110 nan 8.230 nan 0.000 0.446 453 V N 5.584 125.547 119.914 0.082 0.000 2.385 453 V HA 0.460 4.578 4.120 -0.004 0.000 0.269 453 V C 0.533 176.684 176.094 0.096 0.000 1.043 453 V CA -0.263 62.100 62.300 0.104 0.000 0.906 453 V CB -0.007 31.902 31.823 0.145 0.000 0.995 453 V HN 1.036 nan 8.190 nan 0.000 0.467 454 C N 3.783 123.139 119.300 0.095 0.000 3.175 454 C HA 0.946 5.404 4.460 -0.004 0.000 0.375 454 C C -0.799 174.302 174.990 0.184 0.000 2.777 454 C CA -0.968 58.100 59.018 0.083 0.000 1.221 454 C CB 1.477 29.169 27.740 -0.080 0.000 3.182 454 C HN 0.858 nan 8.230 nan 0.000 0.440 455 Y N -1.810 118.506 120.300 0.026 0.000 2.689 455 Y HA 0.791 5.339 4.550 -0.004 0.000 0.333 455 Y C -0.543 175.381 175.900 0.040 0.000 1.190 455 Y CA -1.269 56.847 58.100 0.026 0.000 1.063 455 Y CB 0.799 39.259 38.460 -0.000 0.000 1.294 455 Y HN 0.662 nan 8.280 nan 0.000 0.466 456 R N 1.631 122.254 120.500 0.204 0.000 2.215 456 R HA 0.284 4.622 4.340 -0.004 0.000 0.337 456 R C 0.857 177.289 176.300 0.220 0.000 1.010 456 R CA -0.632 55.554 56.100 0.144 0.000 0.871 456 R CB 1.327 31.724 30.300 0.161 0.000 1.134 456 R HN 0.929 nan 8.270 nan 0.000 0.477 457 R N 1.544 122.131 120.500 0.146 0.000 2.159 457 R HA -0.097 4.240 4.340 -0.004 0.000 0.237 457 R C 0.342 176.552 176.300 -0.150 0.000 1.131 457 R CA 1.464 57.596 56.100 0.053 0.000 0.982 457 R CB 0.159 30.422 30.300 -0.061 0.000 0.868 457 R HN 0.543 nan 8.270 nan 0.000 0.453 471 P HA 0.380 nan 4.420 nan 0.000 0.257 471 P C 1.251 178.622 177.300 0.117 0.000 1.325 471 P CA 0.911 64.059 63.100 0.080 0.000 0.850 471 P CB -0.060 31.641 31.700 0.001 0.000 1.324 472 L N -0.749 120.517 121.223 0.073 0.000 2.270 472 L HA 0.148 4.486 4.340 -0.004 0.000 0.210 472 L C 2.480 179.373 176.870 0.039 0.000 1.104 472 L CA 2.055 56.925 54.840 0.050 0.000 0.804 472 L CB -1.590 40.482 42.059 0.022 0.000 0.937 472 L HN 0.182 nan 8.230 nan 0.000 0.450 473 M N -3.311 116.317 119.600 0.047 0.000 2.534 473 M HA 0.127 4.605 4.480 -0.004 0.000 0.263 473 M C 2.341 178.645 176.300 0.006 0.000 1.152 473 M CA 1.235 56.537 55.300 0.003 0.000 1.145 473 M CB -0.783 31.816 32.600 -0.003 0.000 1.333 473 M HN 0.290 nan 8.290 nan 0.000 0.477 474 Y N 1.869 122.154 120.300 -0.024 0.000 2.102 474 Y HA -0.366 4.182 4.550 -0.004 0.000 0.280 474 Y C 2.631 178.516 175.900 -0.026 0.000 1.178 474 Y CA 2.647 60.737 58.100 -0.016 0.000 1.146 474 Y CB -0.406 38.055 38.460 0.002 0.000 0.968 474 Y HN 0.460 nan 8.280 nan 0.000 0.504 475 Q N 0.654 120.444 119.800 -0.016 0.000 2.124 475 Q HA -0.141 4.196 4.340 -0.004 0.000 0.202 475 Q C 2.301 178.213 176.000 -0.147 0.000 0.977 475 Q CA 2.332 58.080 55.803 -0.092 0.000 0.850 475 Q CB -0.175 28.585 28.738 0.037 0.000 0.901 475 Q HN 0.280 nan 8.270 nan 0.000 0.429 476 K N -0.125 120.202 120.400 -0.123 0.000 2.032 476 K HA -0.098 4.220 4.320 -0.004 0.000 0.209 476 K C 2.111 178.583 176.600 -0.213 0.000 1.048 476 K CA 1.551 57.749 56.287 -0.149 0.000 0.927 476 K CB -0.840 31.569 32.500 -0.151 0.000 0.712 476 K HN 0.482 nan 8.250 nan 0.000 0.441 477 I N 0.527 120.929 120.570 -0.280 0.000 2.226 477 I HA -0.233 3.935 4.170 -0.004 0.000 0.245 477 I C 2.708 178.678 176.117 -0.246 0.000 1.100 477 I CA 1.466 62.569 61.300 -0.329 0.000 1.374 477 I CB -0.244 37.580 38.000 -0.293 0.000 1.057 477 I HN 0.243 nan 8.210 nan 0.000 0.413 478 K N 1.595 121.797 120.400 -0.331 0.000 2.026 478 K HA -0.221 4.097 4.320 -0.004 0.000 0.208 478 K C 2.336 178.857 176.600 -0.131 0.000 1.048 478 K CA 1.991 58.117 56.287 -0.269 0.000 0.929 478 K CB -0.112 32.171 32.500 -0.360 0.000 0.713 478 K HN 0.202 nan 8.250 nan 0.000 0.439 479 K N 0.991 121.327 120.400 -0.106 0.000 2.504 479 K HA -0.088 4.230 4.320 -0.004 0.000 0.195 479 K C 0.360 176.956 176.600 -0.006 0.000 1.036 479 K CA 0.905 57.162 56.287 -0.049 0.000 0.984 479 K CB -0.797 31.679 32.500 -0.040 0.000 0.788 479 K HN 0.402 nan 8.250 nan 0.000 0.488 480 H N 1.385 120.372 119.070 -0.137 0.000 2.620 480 H HA 0.178 4.732 4.556 -0.003 0.000 0.313 480 H C -2.356 172.935 175.328 -0.062 0.000 1.075 480 H CA -1.972 54.002 56.048 -0.124 0.000 1.397 480 H CB 1.440 31.065 29.762 -0.230 0.000 1.446 480 H HN 0.164 nan 8.280 nan 0.000 0.493 481 P HA -0.039 nan 4.420 nan 0.000 0.269 481 P C -0.045 177.164 177.300 -0.152 0.000 1.209 481 P CA -0.276 62.693 63.100 -0.219 0.000 0.776 481 P CB 0.686 32.250 31.700 -0.228 0.000 0.876 482 T N -0.251 114.295 114.554 -0.013 0.000 2.813 482 T HA 0.188 4.536 4.350 -0.004 0.000 0.297 482 T C -1.791 172.937 174.700 0.046 0.000 1.036 482 T CA -1.403 60.737 62.100 0.067 0.000 1.044 482 T CB -0.026 68.876 68.868 0.057 0.000 0.993 482 T HN 0.153 nan 8.240 nan 0.000 0.535 483 P HA -0.089 nan 4.420 nan 0.000 0.215 483 P C 1.826 179.157 177.300 0.052 0.000 1.157 483 P CA 0.853 63.979 63.100 0.045 0.000 0.868 483 P CB -0.018 31.682 31.700 0.000 0.000 0.788 484 R N 0.263 120.785 120.500 0.037 0.000 2.112 484 R HA -0.252 4.085 4.340 -0.004 0.000 0.242 484 R C 2.179 178.528 176.300 0.081 0.000 1.137 484 R CA 2.232 58.368 56.100 0.061 0.000 0.944 484 R CB -0.545 29.773 30.300 0.030 0.000 0.857 484 R HN -0.042 nan 8.270 nan 0.000 0.435 485 K N 0.646 121.073 120.400 0.046 0.000 2.057 485 K HA -0.066 4.252 4.320 -0.004 0.000 0.207 485 K C 1.999 178.617 176.600 0.031 0.000 1.049 485 K CA 1.479 57.782 56.287 0.027 0.000 0.931 485 K CB -0.319 32.180 32.500 -0.001 0.000 0.714 485 K HN 0.256 nan 8.250 nan 0.000 0.440 486 I N -0.445 120.147 120.570 0.036 0.000 2.286 486 I HA -0.294 3.874 4.170 -0.004 0.000 0.248 486 I C 2.024 178.207 176.117 0.110 0.000 1.115 486 I CA 1.410 62.735 61.300 0.043 0.000 1.392 486 I CB -0.232 37.792 38.000 0.040 0.000 1.065 486 I HN 0.231 nan 8.210 nan 0.000 0.418 487 Y N 0.835 121.131 120.300 -0.006 0.000 2.206 487 Y HA -0.167 4.381 4.550 -0.004 0.000 0.292 487 Y C 2.613 178.521 175.900 0.013 0.000 1.123 487 Y CA 1.183 59.287 58.100 0.006 0.000 1.142 487 Y CB -0.060 38.404 38.460 0.007 0.000 1.006 487 Y HN 0.098 nan 8.280 nan 0.000 0.518 488 A N 0.217 123.063 122.820 0.043 0.000 1.940 488 A HA -0.235 4.082 4.320 -0.004 0.000 0.219 488 A C 1.735 179.279 177.584 -0.067 0.000 1.176 488 A CA 2.141 54.156 52.037 -0.037 0.000 0.631 488 A CB -0.789 18.221 19.000 0.016 0.000 0.814 488 A HN 0.515 nan 8.150 nan 0.000 0.446 489 D N -0.519 119.858 120.400 -0.039 0.000 2.117 489 D HA -0.156 4.481 4.640 -0.004 0.000 0.197 489 D C 1.906 178.166 176.300 -0.066 0.000 0.987 489 D CA 1.720 55.696 54.000 -0.040 0.000 0.829 489 D CB -0.233 40.553 40.800 -0.023 0.000 0.961 489 D HN 0.658 nan 8.370 nan 0.000 0.460 490 K N 0.604 120.946 120.400 -0.095 0.000 2.026 490 K HA -0.043 4.275 4.320 -0.004 0.000 0.208 490 K C 2.067 178.562 176.600 -0.175 0.000 1.048 490 K CA 0.759 56.973 56.287 -0.121 0.000 0.929 490 K CB -0.191 32.238 32.500 -0.118 0.000 0.713 490 K HN 0.073 nan 8.250 nan 0.000 0.439 491 L N 0.839 121.888 121.223 -0.290 0.000 2.450 491 L HA -0.128 4.210 4.340 -0.004 0.000 0.224 491 L C 2.398 179.196 176.870 -0.120 0.000 1.149 491 L CA 1.200 55.897 54.840 -0.238 0.000 0.816 491 L CB -0.359 41.520 42.059 -0.301 0.000 0.932 491 L HN 0.484 nan 8.230 nan 0.000 0.449 492 E N -0.329 119.814 120.200 -0.095 0.000 2.140 492 E HA -0.140 4.208 4.350 -0.004 0.000 0.191 492 E C 1.584 178.158 176.600 -0.043 0.000 0.973 492 E CA 0.319 56.685 56.400 -0.055 0.000 0.829 492 E CB 0.318 29.993 29.700 -0.043 0.000 0.781 492 E HN 0.211 nan 8.360 nan 0.000 0.466 493 Q N 0.281 120.054 119.800 -0.045 0.000 2.265 493 Q HA 0.078 4.416 4.340 -0.004 0.000 0.217 493 Q C -0.038 175.944 176.000 -0.030 0.000 0.916 493 Q CA 0.269 56.053 55.803 -0.030 0.000 0.948 493 Q CB 0.213 28.937 28.738 -0.024 0.000 1.020 493 Q HN 0.389 nan 8.270 nan 0.000 0.462 494 E N -1.891 118.287 120.200 -0.037 0.000 2.702 494 E HA 0.063 4.410 4.350 -0.004 0.000 0.225 494 E C -0.031 176.555 176.600 -0.023 0.000 0.942 494 E CA -0.233 56.151 56.400 -0.028 0.000 1.210 494 E CB 0.992 30.669 29.700 -0.037 0.000 1.143 494 E HN 0.067 nan 8.360 nan 0.000 0.544 495 K N 0.096 120.481 120.400 -0.026 0.000 3.035 495 K HA -0.155 4.163 4.320 -0.004 0.000 0.262 495 K C 0.779 177.367 176.600 -0.019 0.000 1.024 495 K CA 0.763 57.039 56.287 -0.020 0.000 0.748 495 K CB -2.418 30.075 32.500 -0.011 0.000 1.247 495 K HN 0.196 nan 8.250 nan 0.000 0.482 496 V N -2.207 117.689 119.914 -0.031 0.000 2.949 496 V HA 0.425 4.543 4.120 -0.004 0.000 0.245 496 V C 0.882 176.960 176.094 -0.027 0.000 1.086 496 V CA 1.207 63.492 62.300 -0.026 0.000 1.097 496 V CB 0.873 32.676 31.823 -0.033 0.000 0.762 496 V HN 0.777 nan 8.190 nan 0.000 0.470 497 A N 0.177 122.974 122.820 -0.039 0.000 2.427 497 A HA 0.632 4.950 4.320 -0.004 0.000 0.298 497 A C 0.045 177.614 177.584 -0.025 0.000 1.036 497 A CA -0.119 51.902 52.037 -0.026 0.000 0.701 497 A CB 1.059 20.046 19.000 -0.022 0.000 1.250 497 A HN 0.252 nan 8.150 nan 0.000 0.412 498 T N 0.423 114.969 114.554 -0.014 0.000 2.813 498 T HA 0.313 4.661 4.350 -0.004 0.000 0.297 498 T C 1.330 176.024 174.700 -0.009 0.000 1.036 498 T CA 0.034 62.128 62.100 -0.011 0.000 1.044 498 T CB 0.363 69.228 68.868 -0.006 0.000 0.993 498 T HN 0.911 nan 8.240 nan 0.000 0.535 499 L N 0.530 121.748 121.223 -0.008 0.000 2.085 499 L HA -0.197 4.141 4.340 -0.004 0.000 0.218 499 L C 2.749 179.621 176.870 0.003 0.000 1.080 499 L CA 2.266 57.105 54.840 -0.003 0.000 0.776 499 L CB -0.707 41.351 42.059 -0.002 0.000 0.891 499 L HN 0.966 nan 8.230 nan 0.000 0.437 500 E N -1.219 118.983 120.200 0.003 0.000 2.208 500 E HA -0.204 4.144 4.350 -0.004 0.000 0.193 500 E C 1.519 178.125 176.600 0.010 0.000 0.988 500 E CA 1.103 57.507 56.400 0.007 0.000 0.828 500 E CB 0.038 29.741 29.700 0.005 0.000 0.763 500 E HN 0.596 nan 8.360 nan 0.000 0.478 501 D N 0.448 120.853 120.400 0.007 0.000 2.077 501 D HA -0.101 4.537 4.640 -0.004 0.000 0.196 501 D C 1.868 178.179 176.300 0.017 0.000 0.986 501 D CA 1.498 55.505 54.000 0.011 0.000 0.829 501 D CB -0.458 40.346 40.800 0.005 0.000 0.983 501 D HN 0.234 nan 8.370 nan 0.000 0.453 502 A N 0.469 123.297 122.820 0.014 0.000 1.892 502 A HA -0.218 4.100 4.320 -0.004 0.000 0.218 502 A C 2.375 179.975 177.584 0.028 0.000 1.188 502 A CA 2.583 54.633 52.037 0.022 0.000 0.631 502 A CB -1.157 17.852 19.000 0.016 0.000 0.822 502 A HN 0.254 nan 8.150 nan 0.000 0.447 503 T N -0.074 114.493 114.554 0.023 0.000 2.759 503 T HA -0.179 4.168 4.350 -0.004 0.000 0.269 503 T C 1.828 176.549 174.700 0.034 0.000 1.042 503 T CA 1.859 63.975 62.100 0.027 0.000 1.140 503 T CB -0.289 68.591 68.868 0.020 0.000 0.864 503 T HN 0.894 nan 8.240 nan 0.000 0.455 504 E N 0.796 121.014 120.200 0.031 0.000 2.158 504 E HA -0.011 4.337 4.350 -0.004 0.000 0.191 504 E C 2.166 178.796 176.600 0.049 0.000 0.982 504 E CA 0.618 57.040 56.400 0.036 0.000 0.823 504 E CB -0.382 29.334 29.700 0.027 0.000 0.766 504 E HN 0.412 nan 8.360 nan 0.000 0.468 505 M N 0.682 120.311 119.600 0.049 0.000 2.106 505 M HA -0.172 4.306 4.480 -0.004 0.000 0.259 505 M C 2.196 178.550 176.300 0.090 0.000 1.068 505 M CA 1.373 56.711 55.300 0.064 0.000 1.100 505 M CB -0.126 32.503 32.600 0.049 0.000 1.351 505 M HN 0.120 nan 8.290 nan 0.000 0.404 506 V N 0.447 120.407 119.914 0.076 0.000 2.548 506 V HA -0.205 3.913 4.120 -0.004 0.000 0.249 506 V C 1.845 178.009 176.094 0.117 0.000 1.055 506 V CA 1.502 63.859 62.300 0.095 0.000 1.065 506 V CB -0.741 31.122 31.823 0.066 0.000 0.681 506 V HN 0.452 nan 8.190 nan 0.000 0.462 507 N N 0.185 118.936 118.700 0.085 0.000 2.171 507 N HA -0.002 4.736 4.740 -0.004 0.000 0.184 507 N C 1.796 177.351 175.510 0.076 0.000 1.021 507 N CA 1.067 54.160 53.050 0.073 0.000 0.854 507 N CB -0.369 38.147 38.487 0.048 0.000 0.994 507 N HN 0.335 nan 8.380 nan 0.000 0.426 508 L N -0.423 120.848 121.223 0.079 0.000 2.042 508 L HA -0.224 4.114 4.340 -0.004 0.000 0.210 508 L C 2.216 179.132 176.870 0.077 0.000 1.076 508 L CA 1.361 56.243 54.840 0.069 0.000 0.749 508 L CB -0.456 41.646 42.059 0.072 0.000 0.893 508 L HN 0.194 nan 8.230 nan 0.000 0.432 509 Y N 0.490 120.797 120.300 0.010 0.000 2.153 509 Y HA -0.220 4.328 4.550 -0.003 0.000 0.289 509 Y C 2.924 178.820 175.900 -0.007 0.000 1.127 509 Y CA 1.448 59.548 58.100 -0.000 0.000 1.131 509 Y CB -0.231 38.234 38.460 0.009 0.000 0.995 509 Y HN -0.040 nan 8.280 nan 0.000 0.505 510 R N 0.371 120.938 120.500 0.112 0.000 2.134 510 R HA -0.244 4.094 4.340 -0.004 0.000 0.248 510 R C 1.649 177.931 176.300 -0.030 0.000 1.143 510 R CA 2.390 58.527 56.100 0.062 0.000 0.957 510 R CB -0.549 29.837 30.300 0.142 0.000 0.867 510 R HN 0.397 nan 8.270 nan 0.000 0.441 511 D N -0.226 120.161 120.400 -0.020 0.000 2.117 511 D HA -0.123 4.515 4.640 -0.004 0.000 0.197 511 D C 1.731 177.977 176.300 -0.088 0.000 0.987 511 D CA 1.563 55.545 54.000 -0.030 0.000 0.829 511 D CB -0.306 40.487 40.800 -0.011 0.000 0.961 511 D HN 0.401 nan 8.370 nan 0.000 0.460 512 A N 0.692 123.416 122.820 -0.160 0.000 1.877 512 A HA -0.135 4.183 4.320 -0.004 0.000 0.216 512 A C 2.395 179.812 177.584 -0.277 0.000 1.186 512 A CA 0.957 52.864 52.037 -0.216 0.000 0.620 512 A CB -0.806 18.034 19.000 -0.267 0.000 0.822 512 A HN 0.214 nan 8.150 nan 0.000 0.443 513 L N -0.479 120.486 121.223 -0.430 0.000 1.990 513 L HA -0.249 4.089 4.340 -0.004 0.000 0.213 513 L C 2.204 178.968 176.870 -0.177 0.000 1.072 513 L CA 1.789 56.374 54.840 -0.424 0.000 0.755 513 L CB -0.952 40.599 42.059 -0.846 0.000 0.889 513 L HN 0.310 nan 8.230 nan 0.000 0.432 514 D N 0.040 120.376 120.400 -0.107 0.000 2.190 514 D HA -0.169 4.468 4.640 -0.004 0.000 0.200 514 D C 2.123 178.447 176.300 0.039 0.000 0.992 514 D CA 1.535 55.565 54.000 0.049 0.000 0.854 514 D CB 0.089 40.927 40.800 0.063 0.000 0.936 514 D HN 0.364 nan 8.370 nan 0.000 0.462 515 A N -0.569 122.243 122.820 -0.014 0.000 1.970 515 A HA 0.291 4.608 4.320 -0.004 0.000 0.216 515 A C 1.988 179.568 177.584 -0.005 0.000 1.170 515 A CA 1.804 53.834 52.037 -0.011 0.000 0.645 515 A CB -0.183 18.795 19.000 -0.037 0.000 0.816 515 A HN 0.307 nan 8.150 nan 0.000 0.447 516 G N -1.194 107.589 108.800 -0.029 0.000 2.175 516 G HA2 -0.191 3.767 3.960 -0.004 0.000 0.244 516 G HA3 -0.191 3.767 3.960 -0.004 0.000 0.244 516 G C -0.083 174.732 174.900 -0.141 0.000 0.982 516 G CA 0.303 45.374 45.100 -0.047 0.000 0.641 516 G HN 0.520 nan 8.290 nan 0.000 0.527 517 D N -0.288 120.033 120.400 -0.131 0.000 2.383 517 D HA 0.350 4.988 4.640 -0.004 0.000 0.248 517 D C 1.122 177.297 176.300 -0.208 0.000 1.170 517 D CA 0.113 54.022 54.000 -0.152 0.000 0.977 517 D CB 1.461 42.203 40.800 -0.097 0.000 1.120 517 D HN 0.247 nan 8.370 nan 0.000 0.481 518 C N 1.041 120.192 119.300 -0.249 0.000 2.550 518 C HA -0.027 4.431 4.460 -0.004 0.000 0.406 518 C C 1.553 176.435 174.990 -0.179 0.000 1.366 518 C CA 0.017 58.854 59.018 -0.302 0.000 1.712 518 C CB -0.434 27.039 27.740 -0.444 0.000 2.613 518 C HN 0.377 nan 8.230 nan 0.000 0.608 519 V N 5.438 125.260 119.914 -0.153 0.000 3.432 519 V HA 0.136 4.254 4.120 -0.004 0.000 0.298 519 V C 0.267 176.370 176.094 0.014 0.000 1.464 519 V CA 0.249 62.507 62.300 -0.069 0.000 1.046 519 V CB 0.561 32.337 31.823 -0.078 0.000 0.887 519 V HN 0.755 nan 8.190 nan 0.000 0.441 520 V N 1.624 121.538 119.914 0.001 0.000 2.304 520 V HA 0.423 4.541 4.120 -0.004 0.000 0.269 520 V C 1.509 177.628 176.094 0.043 0.000 1.036 520 V CA 0.493 62.824 62.300 0.052 0.000 0.840 520 V CB 0.716 32.604 31.823 0.108 0.000 1.036 520 V HN 0.372 nan 8.190 nan 0.000 0.466 521 A N 4.258 127.082 122.820 0.007 0.000 2.042 521 A HA -0.159 4.159 4.320 -0.004 0.000 0.222 521 A C 1.865 179.405 177.584 -0.072 0.000 1.167 521 A CA 1.925 53.955 52.037 -0.012 0.000 0.649 521 A CB -0.037 18.951 19.000 -0.020 0.000 0.809 521 A HN 0.863 nan 8.150 nan 0.000 0.457 522 E N -2.004 118.061 120.200 -0.224 0.000 2.481 522 E HA -0.027 4.321 4.350 -0.004 0.000 0.198 522 E C 0.300 176.649 176.600 -0.418 0.000 1.027 522 E CA -0.597 55.527 56.400 -0.460 0.000 0.900 522 E CB -0.616 28.546 29.700 -0.897 0.000 0.993 522 E HN 0.666 nan 8.360 nan 0.000 0.482 523 W N 3.336 124.450 121.300 -0.309 0.000 2.264 523 W HA 0.066 4.724 4.660 -0.004 0.000 0.331 523 W C -0.164 176.320 176.519 -0.058 0.000 1.364 523 W CA 0.160 57.443 57.345 -0.104 0.000 1.253 523 W CB 0.526 29.981 29.460 -0.008 0.000 1.215 523 W HN -0.195 nan 8.180 nan 0.000 0.561 524 R N 6.622 126.638 120.500 -0.806 0.000 2.621 524 R HA 0.375 4.713 4.340 -0.004 0.000 0.292 524 R C -2.531 172.973 176.300 -1.328 0.000 0.969 524 R CA -2.414 53.140 56.100 -0.911 0.000 0.887 524 R CB 1.029 31.084 30.300 -0.408 0.000 1.180 524 R HN 0.278 nan 8.270 nan 0.000 0.450 525 P HA 0.069 nan 4.420 nan 0.000 0.266 525 P C -0.052 177.069 177.300 -0.297 0.000 1.195 525 P CA 0.159 62.874 63.100 -0.643 0.000 0.768 525 P CB 0.490 32.022 31.700 -0.281 0.000 0.838 526 M N 2.333 121.863 119.600 -0.117 0.000 2.245 526 M HA 0.063 4.541 4.480 -0.004 0.000 0.330 526 M C 1.137 177.419 176.300 -0.030 0.000 1.098 526 M CA 0.339 55.581 55.300 -0.097 0.000 1.172 526 M CB 0.106 32.595 32.600 -0.184 0.000 1.467 526 M HN 0.360 nan 8.290 nan 0.000 0.454 527 N N 1.306 119.901 118.700 -0.176 0.000 2.503 527 N HA 0.039 4.777 4.740 -0.004 0.000 0.267 527 N C 0.577 176.033 175.510 -0.090 0.000 1.214 527 N CA -0.224 52.691 53.050 -0.225 0.000 0.959 527 N CB 1.012 39.166 38.487 -0.556 0.000 1.142 527 N HN 0.638 nan 8.380 nan 0.000 0.455 528 M N 2.339 121.936 119.600 -0.005 0.000 2.103 528 M HA -0.264 4.214 4.480 -0.004 0.000 0.255 528 M C 2.010 178.393 176.300 0.139 0.000 1.074 528 M CA 1.879 57.246 55.300 0.112 0.000 1.090 528 M CB -0.949 31.675 32.600 0.040 0.000 1.325 528 M HN 0.732 nan 8.290 nan 0.000 0.403 529 H N -3.479 115.648 119.070 0.095 0.000 2.518 529 H HA 0.046 4.600 4.556 -0.004 0.000 0.289 529 H C 1.622 176.947 175.328 -0.005 0.000 1.051 529 H CA 1.342 57.413 56.048 0.039 0.000 1.280 529 H CB -0.546 29.214 29.762 -0.003 0.000 1.380 529 H HN 0.326 nan 8.280 nan 0.000 0.566 530 S N 0.269 115.899 115.700 -0.117 0.000 2.515 530 S HA 0.025 4.493 4.470 -0.004 0.000 0.231 530 S C 0.060 174.494 174.600 -0.277 0.000 0.987 530 S CA 0.092 58.151 58.200 -0.234 0.000 0.936 530 S CB -0.294 62.618 63.200 -0.479 0.000 0.766 530 S HN 0.268 nan 8.310 nan 0.000 0.528 531 F N 2.269 122.216 119.950 -0.006 0.000 2.467 531 F HA 0.186 4.711 4.527 -0.003 0.000 0.349 531 F C 1.692 177.549 175.800 0.094 0.000 1.182 531 F CA -0.534 57.502 58.000 0.059 0.000 1.279 531 F CB 0.054 39.084 39.000 0.050 0.000 1.626 531 F HN 0.070 nan 8.300 nan 0.000 0.596 532 T N -3.138 111.526 114.554 0.183 0.000 3.055 532 T HA -0.164 4.184 4.350 -0.004 0.000 0.265 532 T C 1.435 176.179 174.700 0.073 0.000 1.111 532 T CA 0.604 62.747 62.100 0.071 0.000 1.118 532 T CB -0.156 68.676 68.868 -0.060 0.000 0.909 532 T HN 0.551 nan 8.240 nan 0.000 0.501 533 W N 2.151 123.577 121.300 0.211 0.000 3.077 533 W HA 0.217 4.875 4.660 -0.004 0.000 0.266 533 W C 2.604 179.306 176.519 0.305 0.000 1.300 533 W CA 0.240 57.752 57.345 0.278 0.000 1.586 533 W CB 0.039 29.605 29.460 0.176 0.000 1.103 533 W HN 0.314 nan 8.180 nan 0.000 0.652 534 S N 0.506 116.437 115.700 0.385 0.000 2.383 534 S HA -0.176 4.292 4.470 -0.004 0.000 0.229 534 S C -0.616 174.070 174.600 0.144 0.000 1.030 534 S CA 1.101 59.444 58.200 0.238 0.000 1.002 534 S CB -2.033 61.251 63.200 0.140 0.000 0.829 534 S HN 0.111 nan 8.310 nan 0.000 0.467 535 P HA -0.002 nan 4.420 nan 0.000 0.225 535 P C 0.164 177.385 177.300 -0.131 0.000 1.148 535 P CA 0.921 63.905 63.100 -0.193 0.000 0.779 535 P CB -0.243 31.142 31.700 -0.526 0.000 0.780 536 Y N -1.671 118.807 120.300 0.295 0.000 2.584 536 Y HA 0.256 4.804 4.550 -0.003 0.000 0.254 536 Y C 0.983 177.188 175.900 0.508 0.000 1.177 536 Y CA -0.503 57.817 58.100 0.366 0.000 1.216 536 Y CB -0.027 38.587 38.460 0.258 0.000 1.172 536 Y HN -0.172 nan 8.280 nan 0.000 0.529 537 L N 0.699 122.185 121.223 0.437 0.000 2.379 537 L HA 0.272 4.610 4.340 -0.004 0.000 0.269 537 L C 0.037 176.906 176.870 -0.003 0.000 1.084 537 L CA -0.784 54.206 54.840 0.250 0.000 0.802 537 L CB 0.592 42.749 42.059 0.163 0.000 1.175 537 L HN 0.307 nan 8.230 nan 0.000 0.448 538 N N 1.228 119.935 118.700 0.011 0.000 2.746 538 N HA -0.176 4.561 4.740 -0.004 0.000 0.250 538 N C -0.619 174.737 175.510 -0.256 0.000 1.055 538 N CA 0.656 53.647 53.050 -0.099 0.000 0.699 538 N CB -1.362 37.048 38.487 -0.129 0.000 0.919 538 N HN 0.636 nan 8.380 nan 0.000 0.548 539 H N 0.109 119.232 119.070 0.089 0.000 2.622 539 H HA 0.421 4.975 4.556 -0.004 0.000 0.363 539 H C 0.176 175.555 175.328 0.085 0.000 1.151 539 H CA -0.377 55.717 56.048 0.077 0.000 1.184 539 H CB 1.793 31.613 29.762 0.096 0.000 1.643 539 H HN 0.148 nan 8.280 nan 0.000 0.531 540 E N 1.366 121.675 120.200 0.182 0.000 2.232 540 E HA 0.036 4.384 4.350 -0.004 0.000 0.264 540 E C 0.926 177.600 176.600 0.124 0.000 0.973 540 E CA -0.827 55.648 56.400 0.125 0.000 0.849 540 E CB 1.690 31.398 29.700 0.015 0.000 1.198 540 E HN 0.666 nan 8.360 nan 0.000 0.407 541 W N 2.206 123.540 121.300 0.056 0.000 2.402 541 W HA -0.109 4.549 4.660 -0.003 0.000 0.286 541 W C 0.275 176.822 176.519 0.047 0.000 1.221 541 W CA 1.239 58.604 57.345 0.033 0.000 1.257 541 W CB -0.208 29.252 29.460 -0.000 0.000 1.120 541 W HN 0.454 nan 8.180 nan 0.000 0.551 542 D N 0.412 120.251 120.400 -0.935 0.000 2.370 542 D HA 0.054 4.692 4.640 -0.004 0.000 0.230 542 D C -0.111 175.949 176.300 -0.401 0.000 1.143 542 D CA -0.084 53.274 54.000 -1.070 0.000 0.834 542 D CB -0.750 39.079 40.800 -1.619 0.000 0.944 542 D HN 0.196 nan 8.370 nan 0.000 0.504 543 E N 0.539 120.636 120.200 -0.172 0.000 2.390 543 E HA 0.119 4.467 4.350 -0.004 0.000 0.261 543 E C -0.136 176.489 176.600 0.043 0.000 1.076 543 E CA -0.283 56.092 56.400 -0.042 0.000 0.905 543 E CB 0.835 30.559 29.700 0.040 0.000 0.984 543 E HN 0.115 nan 8.360 nan 0.000 0.427 544 E N 1.158 121.377 120.200 0.032 0.000 2.390 544 E HA 0.130 4.477 4.350 -0.004 0.000 0.261 544 E C -1.370 175.309 176.600 0.133 0.000 1.076 544 E CA 0.112 56.535 56.400 0.038 0.000 0.905 544 E CB 0.401 30.082 29.700 -0.031 0.000 0.984 544 E HN 0.356 nan 8.360 nan 0.000 0.427 545 Y N 0.194 120.485 120.300 -0.015 0.000 2.609 545 Y HA 0.492 5.040 4.550 -0.003 0.000 0.336 545 Y C -2.674 173.225 175.900 -0.001 0.000 1.129 545 Y CA -2.720 55.375 58.100 -0.008 0.000 1.040 545 Y CB 0.671 39.129 38.460 -0.003 0.000 1.310 545 Y HN 0.324 nan 8.280 nan 0.000 0.460 546 P HA 0.084 nan 4.420 nan 0.000 0.252 546 P C -0.540 176.700 177.300 -0.100 0.000 1.694 546 P CA 0.363 63.422 63.100 -0.069 0.000 1.163 546 P CB -0.348 31.377 31.700 0.041 0.000 1.934 547 N N 1.638 120.077 118.700 -0.435 0.000 2.188 547 N HA -0.136 4.602 4.740 -0.004 0.000 0.184 547 N C 0.414 175.932 175.510 0.014 0.000 1.018 547 N CA 0.620 53.508 53.050 -0.269 0.000 0.858 547 N CB -0.302 37.869 38.487 -0.528 0.000 0.989 547 N HN 0.205 nan 8.380 nan 0.000 0.426 548 K N 0.513 120.894 120.400 -0.032 0.000 2.237 548 K HA 0.368 4.685 4.320 -0.004 0.000 0.270 548 K C -0.987 175.655 176.600 0.071 0.000 1.015 548 K CA -0.454 55.854 56.287 0.034 0.000 0.949 548 K CB 1.918 34.412 32.500 -0.010 0.000 0.976 548 K HN -0.104 nan 8.250 nan 0.000 0.472 549 V N 1.872 121.843 119.914 0.095 0.000 2.709 549 V HA 0.106 4.223 4.120 -0.004 0.000 0.308 549 V C -0.247 175.880 176.094 0.055 0.000 1.062 549 V CA -0.946 61.404 62.300 0.085 0.000 0.901 549 V CB 1.745 33.645 31.823 0.128 0.000 1.003 549 V HN 0.787 nan 8.190 nan 0.000 0.425 550 E N 3.572 123.796 120.200 0.041 0.000 2.376 550 E HA 0.032 4.380 4.350 -0.004 0.000 0.266 550 E C 0.956 177.572 176.600 0.027 0.000 1.009 550 E CA -0.493 55.923 56.400 0.027 0.000 0.902 550 E CB 1.238 30.951 29.700 0.021 0.000 0.972 550 E HN 0.692 nan 8.360 nan 0.000 0.439 551 M N 5.796 125.407 119.600 0.019 0.000 2.106 551 M HA -0.224 4.254 4.480 -0.004 0.000 0.259 551 M C 1.931 178.245 176.300 0.023 0.000 1.068 551 M CA 2.050 57.360 55.300 0.017 0.000 1.100 551 M CB -0.264 32.344 32.600 0.013 0.000 1.351 551 M HN 0.632 nan 8.290 nan 0.000 0.404 552 K N -0.742 119.671 120.400 0.022 0.000 2.009 552 K HA -0.257 4.061 4.320 -0.004 0.000 0.210 552 K C 2.235 178.854 176.600 0.032 0.000 1.049 552 K CA 2.027 58.329 56.287 0.024 0.000 0.929 552 K CB -0.224 32.288 32.500 0.019 0.000 0.714 552 K HN 0.318 nan 8.250 nan 0.000 0.440 553 R N 0.431 120.951 120.500 0.034 0.000 2.092 553 R HA -0.081 4.257 4.340 -0.004 0.000 0.231 553 R C 2.160 178.492 176.300 0.052 0.000 1.119 553 R CA 0.968 57.094 56.100 0.043 0.000 0.970 553 R CB -0.568 29.758 30.300 0.043 0.000 0.864 553 R HN 0.222 nan 8.270 nan 0.000 0.440 554 L N 1.056 122.307 121.223 0.047 0.000 1.970 554 L HA -0.213 4.125 4.340 -0.004 0.000 0.212 554 L C 2.058 178.961 176.870 0.055 0.000 1.071 554 L CA 1.992 56.858 54.840 0.043 0.000 0.751 554 L CB -0.711 41.354 42.059 0.010 0.000 0.889 554 L HN 0.340 nan 8.230 nan 0.000 0.432 555 Q N -1.219 118.614 119.800 0.054 0.000 2.124 555 Q HA -0.264 4.074 4.340 -0.004 0.000 0.202 555 Q C 2.121 178.161 176.000 0.067 0.000 0.977 555 Q CA 1.566 57.411 55.803 0.070 0.000 0.850 555 Q CB -0.145 28.626 28.738 0.056 0.000 0.901 555 Q HN 0.463 nan 8.270 nan 0.000 0.429 556 E N 0.972 121.206 120.200 0.057 0.000 2.118 556 E HA -0.165 4.183 4.350 -0.004 0.000 0.195 556 E C 1.695 178.338 176.600 0.071 0.000 0.992 556 E CA 1.186 57.621 56.400 0.058 0.000 0.804 556 E CB -0.182 29.550 29.700 0.052 0.000 0.741 556 E HN 0.323 nan 8.360 nan 0.000 0.458 557 L N -0.547 120.721 121.223 0.076 0.000 2.095 557 L HA 0.009 4.347 4.340 -0.004 0.000 0.204 557 L C 2.494 179.417 176.870 0.088 0.000 1.080 557 L CA 0.865 55.754 54.840 0.082 0.000 0.759 557 L CB -0.604 41.502 42.059 0.079 0.000 0.914 557 L HN 0.160 nan 8.230 nan 0.000 0.439 558 A N 0.111 122.993 122.820 0.102 0.000 1.986 558 A HA -0.275 4.043 4.320 -0.004 0.000 0.220 558 A C 2.412 180.057 177.584 0.102 0.000 1.171 558 A CA 2.127 54.247 52.037 0.138 0.000 0.640 558 A CB -0.409 18.716 19.000 0.208 0.000 0.811 558 A HN 0.359 nan 8.150 nan 0.000 0.451 559 K N -1.064 119.387 120.400 0.084 0.000 2.128 559 K HA 0.009 4.327 4.320 -0.004 0.000 0.202 559 K C 2.324 178.974 176.600 0.083 0.000 1.050 559 K CA 0.656 56.985 56.287 0.070 0.000 0.966 559 K CB -0.141 32.392 32.500 0.055 0.000 0.759 559 K HN 0.371 nan 8.250 nan 0.000 0.454 560 R N 1.227 121.779 120.500 0.086 0.000 2.091 560 R HA -0.093 4.245 4.340 -0.004 0.000 0.238 560 R C 2.234 178.610 176.300 0.126 0.000 1.136 560 R CA 1.858 58.017 56.100 0.099 0.000 0.959 560 R CB -0.314 30.044 30.300 0.096 0.000 0.856 560 R HN 0.432 nan 8.270 nan 0.000 0.437 561 I N -2.085 118.557 120.570 0.120 0.000 3.564 561 I HA 0.064 4.232 4.170 -0.004 0.000 0.294 561 I C 0.474 176.734 176.117 0.238 0.000 1.289 561 I CA 0.963 62.353 61.300 0.149 0.000 1.325 561 I CB 0.427 38.476 38.000 0.083 0.000 1.039 561 I HN -0.053 nan 8.210 nan 0.000 0.474 562 S N 0.154 115.975 115.700 0.201 0.000 2.523 562 S HA 0.164 4.632 4.470 -0.004 0.000 0.217 562 S C 0.634 175.409 174.600 0.291 0.000 0.996 562 S CA -0.058 58.288 58.200 0.243 0.000 0.921 562 S CB 0.334 63.591 63.200 0.095 0.000 0.829 562 S HN 0.456 nan 8.310 nan 0.000 0.495 563 T N 2.563 117.233 114.554 0.194 0.000 2.772 563 T HA 0.497 4.845 4.350 -0.004 0.000 0.288 563 T C -0.598 174.130 174.700 0.046 0.000 0.994 563 T CA -0.248 61.913 62.100 0.101 0.000 0.951 563 T CB 1.505 70.414 68.868 0.069 0.000 0.933 563 T HN -0.131 nan 8.240 nan 0.000 0.447 564 V N 6.475 126.351 119.914 -0.063 0.000 2.384 564 V HA 0.352 4.470 4.120 -0.004 0.000 0.287 564 V C -2.041 173.880 176.094 -0.288 0.000 1.020 564 V CA -2.107 60.046 62.300 -0.245 0.000 0.850 564 V CB 1.114 32.744 31.823 -0.323 0.000 0.987 564 V HN 0.700 nan 8.190 nan 0.000 0.436 565 P HA 0.007 nan 4.420 nan 0.000 0.264 565 P C 1.020 178.166 177.300 -0.256 0.000 1.183 565 P CA 0.294 63.216 63.100 -0.298 0.000 0.763 565 P CB 0.629 32.107 31.700 -0.369 0.000 0.807 566 E N 2.539 122.640 120.200 -0.164 0.000 2.209 566 E HA -0.217 4.130 4.350 -0.004 0.000 0.196 566 E C 2.058 178.580 176.600 -0.131 0.000 0.993 566 E CA 1.284 57.607 56.400 -0.129 0.000 0.819 566 E CB -0.811 28.837 29.700 -0.087 0.000 0.745 566 E HN 0.572 nan 8.360 nan 0.000 0.477 567 A N 0.019 122.753 122.820 -0.144 0.000 2.009 567 A HA -0.113 4.205 4.320 -0.004 0.000 0.222 567 A C 1.527 179.029 177.584 -0.137 0.000 1.175 567 A CA 1.554 53.513 52.037 -0.129 0.000 0.651 567 A CB -0.448 18.471 19.000 -0.134 0.000 0.815 567 A HN 0.348 nan 8.150 nan 0.000 0.459 568 V N 1.026 120.823 119.914 -0.194 0.000 2.348 568 V HA 0.172 4.290 4.120 -0.004 0.000 0.270 568 V C 0.188 176.204 176.094 -0.131 0.000 1.037 568 V CA -0.495 61.696 62.300 -0.181 0.000 0.872 568 V CB 0.960 32.601 31.823 -0.304 0.000 1.002 568 V HN 0.518 nan 8.190 nan 0.000 0.464 569 E N 5.419 125.571 120.200 -0.079 0.000 2.180 569 E HA 0.300 4.648 4.350 -0.004 0.000 0.283 569 E C -0.451 176.122 176.600 -0.046 0.000 1.061 569 E CA -0.337 56.029 56.400 -0.057 0.000 0.861 569 E CB 0.607 30.287 29.700 -0.033 0.000 1.056 569 E HN 0.599 nan 8.360 nan 0.000 0.407 570 M N 3.542 123.107 119.600 -0.058 0.000 2.188 570 M HA 0.124 4.602 4.480 -0.004 0.000 0.357 570 M C 0.371 176.661 176.300 -0.017 0.000 1.204 570 M CA -0.427 54.846 55.300 -0.044 0.000 1.095 570 M CB 1.484 34.037 32.600 -0.078 0.000 1.604 570 M HN 0.487 nan 8.290 nan 0.000 0.464 571 Q N 1.068 120.873 119.800 0.008 0.000 2.450 571 Q HA -0.082 4.256 4.340 -0.004 0.000 0.294 571 Q C 0.890 176.887 176.000 -0.006 0.000 1.129 571 Q CA 0.623 56.431 55.803 0.009 0.000 0.970 571 Q CB 0.813 29.569 28.738 0.031 0.000 1.294 571 Q HN 0.925 nan 8.270 nan 0.000 0.453 572 S N 1.859 117.553 115.700 -0.010 0.000 2.368 572 S HA -0.130 4.338 4.470 -0.004 0.000 0.224 572 S C 1.938 176.528 174.600 -0.017 0.000 1.029 572 S CA 1.278 59.469 58.200 -0.014 0.000 0.988 572 S CB 0.199 63.389 63.200 -0.015 0.000 0.838 572 S HN 0.542 nan 8.310 nan 0.000 0.462 573 R N 0.141 120.628 120.500 -0.022 0.000 2.115 573 R HA 0.100 4.438 4.340 -0.004 0.000 0.230 573 R C 2.344 178.613 176.300 -0.051 0.000 1.111 573 R CA 1.184 57.266 56.100 -0.030 0.000 0.976 573 R CB -1.381 28.898 30.300 -0.034 0.000 0.870 573 R HN 0.518 nan 8.270 nan 0.000 0.445 574 V N 0.596 120.474 119.914 -0.061 0.000 2.323 574 V HA -0.122 3.996 4.120 -0.004 0.000 0.244 574 V C 2.757 178.866 176.094 0.024 0.000 1.041 574 V CA 1.798 64.036 62.300 -0.103 0.000 1.025 574 V CB -1.067 30.721 31.823 -0.059 0.000 0.656 574 V HN 0.554 nan 8.190 nan 0.000 0.451 575 A N -0.303 122.524 122.820 0.012 0.000 1.917 575 A HA -0.286 4.032 4.320 -0.004 0.000 0.219 575 A C 2.346 179.962 177.584 0.054 0.000 1.182 575 A CA 2.166 54.221 52.037 0.030 0.000 0.633 575 A CB -0.544 18.453 19.000 -0.006 0.000 0.819 575 A HN 0.389 nan 8.150 nan 0.000 0.448 576 K N -0.112 120.299 120.400 0.018 0.000 2.009 576 K HA -0.129 4.189 4.320 -0.004 0.000 0.210 576 K C 1.882 178.486 176.600 0.007 0.000 1.049 576 K CA 1.880 58.172 56.287 0.007 0.000 0.929 576 K CB -0.537 31.958 32.500 -0.008 0.000 0.714 576 K HN 0.539 nan 8.250 nan 0.000 0.440 577 I N 0.090 120.656 120.570 -0.006 0.000 2.208 577 I HA -0.312 3.856 4.170 -0.004 0.000 0.245 577 I C 2.071 178.133 176.117 -0.093 0.000 1.097 577 I CA 1.284 62.553 61.300 -0.052 0.000 1.363 577 I CB -0.225 37.710 38.000 -0.108 0.000 1.051 577 I HN 0.171 nan 8.210 nan 0.000 0.413 578 Y N 0.546 120.811 120.300 -0.059 0.000 2.242 578 Y HA -0.161 4.387 4.550 -0.004 0.000 0.291 578 Y C 2.524 178.402 175.900 -0.036 0.000 1.137 578 Y CA 1.528 59.608 58.100 -0.034 0.000 1.181 578 Y CB -0.972 37.473 38.460 -0.025 0.000 0.989 578 Y HN 0.134 nan 8.280 nan 0.000 0.527 579 G N -0.283 108.560 108.800 0.073 0.000 2.421 579 G HA2 -0.268 3.689 3.960 -0.004 0.000 0.216 579 G HA3 -0.268 3.689 3.960 -0.004 0.000 0.216 579 G C 1.295 176.174 174.900 -0.034 0.000 1.171 579 G CA 1.296 46.407 45.100 0.018 0.000 0.775 579 G HN 0.271 nan 8.290 nan 0.000 0.543 580 D N 0.497 120.863 120.400 -0.056 0.000 2.149 580 D HA -0.103 4.535 4.640 -0.004 0.000 0.194 580 D C 2.637 178.841 176.300 -0.161 0.000 1.001 580 D CA 0.859 54.800 54.000 -0.098 0.000 0.849 580 D CB -0.203 40.544 40.800 -0.088 0.000 0.939 580 D HN 0.305 nan 8.370 nan 0.000 0.449 581 R N 0.047 120.441 120.500 -0.177 0.000 2.153 581 R HA 0.040 4.378 4.340 -0.004 0.000 0.218 581 R C 2.305 178.503 176.300 -0.169 0.000 1.072 581 R CA 0.479 56.441 56.100 -0.229 0.000 0.990 581 R CB -0.056 30.081 30.300 -0.271 0.000 0.889 581 R HN 0.357 nan 8.270 nan 0.000 0.452 582 Q N 0.143 119.892 119.800 -0.086 0.000 2.170 582 Q HA -0.092 4.245 4.340 -0.004 0.000 0.203 582 Q C 1.972 177.923 176.000 -0.081 0.000 0.976 582 Q CA 1.520 57.294 55.803 -0.047 0.000 0.858 582 Q CB -0.023 28.712 28.738 -0.005 0.000 0.907 582 Q HN 0.326 nan 8.270 nan 0.000 0.433 583 A N 0.424 123.175 122.820 -0.115 0.000 1.975 583 A HA -0.038 4.279 4.320 -0.004 0.000 0.215 583 A C 1.999 179.467 177.584 -0.193 0.000 1.170 583 A CA 0.547 52.512 52.037 -0.120 0.000 0.656 583 A CB -0.236 18.704 19.000 -0.100 0.000 0.821 583 A HN 0.219 nan 8.150 nan 0.000 0.449 584 M N -0.184 119.211 119.600 -0.342 0.000 2.117 584 M HA -0.138 4.340 4.480 -0.004 0.000 0.262 584 M C 2.453 178.490 176.300 -0.438 0.000 1.065 584 M CA 1.508 56.415 55.300 -0.654 0.000 1.114 584 M CB -0.387 31.417 32.600 -1.328 0.000 1.361 584 M HN 0.439 nan 8.290 nan 0.000 0.408 585 A N 0.116 122.796 122.820 -0.233 0.000 2.024 585 A HA -0.003 4.315 4.320 -0.004 0.000 0.220 585 A C 2.145 179.737 177.584 0.014 0.000 1.164 585 A CA 1.882 53.917 52.037 -0.004 0.000 0.643 585 A CB -0.697 18.314 19.000 0.018 0.000 0.806 585 A HN 0.527 nan 8.150 nan 0.000 0.451 586 A N -2.532 120.268 122.820 -0.032 0.000 2.348 586 A HA 0.462 4.780 4.320 -0.004 0.000 0.224 586 A C 1.663 179.241 177.584 -0.009 0.000 1.227 586 A CA 1.021 53.052 52.037 -0.011 0.000 0.885 586 A CB -0.514 18.474 19.000 -0.019 0.000 0.933 586 A HN 1.811 nan 8.150 nan 0.000 0.506 587 G N -0.347 108.444 108.800 -0.016 0.000 2.176 587 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.253 587 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.253 587 G C 0.452 175.340 174.900 -0.021 0.000 0.979 587 G CA 0.560 45.660 45.100 0.000 0.000 0.641 587 G HN 0.547 nan 8.290 nan 0.000 0.530 588 E N -0.111 120.063 120.200 -0.044 0.000 2.489 588 E HA 0.281 4.629 4.350 -0.004 0.000 0.193 588 E C 0.671 177.236 176.600 -0.057 0.000 1.057 588 E CA 0.653 57.028 56.400 -0.042 0.000 0.866 588 E CB 0.306 29.982 29.700 -0.040 0.000 0.916 588 E HN 0.458 nan 8.360 nan 0.000 0.500 589 K N 0.530 120.877 120.400 -0.087 0.000 2.589 589 K HA 0.209 4.527 4.320 -0.004 0.000 0.265 589 K C -1.350 175.170 176.600 -0.133 0.000 0.935 589 K CA -0.520 55.708 56.287 -0.099 0.000 0.850 589 K CB 1.050 33.478 32.500 -0.120 0.000 1.372 589 K HN -0.079 nan 8.250 nan 0.000 0.420 590 L N 3.679 124.867 121.223 -0.060 0.000 2.461 590 L HA 0.255 4.593 4.340 -0.004 0.000 0.272 590 L C 0.040 176.887 176.870 -0.038 0.000 1.197 590 L CA -0.280 54.564 54.840 0.006 0.000 0.836 590 L CB 0.055 42.146 42.059 0.053 0.000 1.105 590 L HN 0.471 nan 8.230 nan 0.000 0.477 591 F N 1.359 121.286 119.950 -0.038 0.000 2.495 591 F HA 0.041 4.565 4.527 -0.004 0.000 0.365 591 F C 0.882 176.680 175.800 -0.002 0.000 1.090 591 F CA -0.471 57.504 58.000 -0.042 0.000 1.235 591 F CB 0.307 39.248 39.000 -0.099 0.000 1.119 591 F HN 0.527 nan 8.300 nan 0.000 0.562 592 D N 2.333 122.837 120.400 0.174 0.000 2.478 592 D HA -0.067 4.571 4.640 -0.004 0.000 0.274 592 D C 1.142 177.609 176.300 0.279 0.000 1.234 592 D CA -0.515 53.615 54.000 0.216 0.000 1.069 592 D CB 0.091 41.002 40.800 0.185 0.000 1.113 592 D HN 0.555 nan 8.370 nan 0.000 0.571 593 W N 0.103 121.484 121.300 0.134 0.000 2.379 593 W HA -0.044 4.614 4.660 -0.003 0.000 0.307 593 W C 2.005 178.642 176.519 0.197 0.000 1.200 593 W CA 2.126 59.559 57.345 0.146 0.000 1.297 593 W CB -0.538 28.993 29.460 0.119 0.000 1.140 593 W HN 0.594 nan 8.180 nan 0.000 0.507 594 G N 0.099 109.196 108.800 0.495 0.000 2.402 594 G HA2 -0.191 3.767 3.960 -0.004 0.000 0.216 594 G HA3 -0.191 3.767 3.960 -0.004 0.000 0.216 594 G C 1.703 176.713 174.900 0.184 0.000 1.162 594 G CA 1.212 46.520 45.100 0.348 0.000 0.777 594 G HN 0.385 nan 8.290 nan 0.000 0.539 595 G N 1.213 110.122 108.800 0.182 0.000 2.476 595 G HA2 -0.027 3.931 3.960 -0.004 0.000 0.218 595 G HA3 -0.027 3.931 3.960 -0.004 0.000 0.218 595 G C 2.036 177.110 174.900 0.291 0.000 1.164 595 G CA 1.716 46.943 45.100 0.212 0.000 0.768 595 G HN 0.662 nan 8.290 nan 0.000 0.560 596 A N 0.457 123.394 122.820 0.196 0.000 1.897 596 A HA 0.058 4.376 4.320 -0.004 0.000 0.215 596 A C 2.154 179.680 177.584 -0.096 0.000 1.181 596 A CA 1.908 53.883 52.037 -0.103 0.000 0.620 596 A CB -0.445 18.399 19.000 -0.261 0.000 0.821 596 A HN 0.496 nan 8.150 nan 0.000 0.443 597 E N 0.228 120.369 120.200 -0.097 0.000 2.058 597 E HA -0.231 4.117 4.350 -0.004 0.000 0.194 597 E C 1.653 177.987 176.600 -0.445 0.000 0.997 597 E CA 1.453 57.718 56.400 -0.226 0.000 0.801 597 E CB -0.205 29.496 29.700 0.002 0.000 0.746 597 E HN 0.598 nan 8.360 nan 0.000 0.450 598 N N 0.527 119.132 118.700 -0.159 0.000 2.309 598 N HA -0.141 4.596 4.740 -0.004 0.000 0.182 598 N C 1.877 177.340 175.510 -0.078 0.000 1.018 598 N CA 0.610 53.620 53.050 -0.066 0.000 0.876 598 N CB -0.133 38.382 38.487 0.046 0.000 0.972 598 N HN 0.209 nan 8.380 nan 0.000 0.434 599 L N 1.498 122.695 121.223 -0.043 0.000 2.109 599 L HA 0.047 4.385 4.340 -0.004 0.000 0.207 599 L C 2.232 179.131 176.870 0.047 0.000 1.086 599 L CA 1.123 55.978 54.840 0.024 0.000 0.760 599 L CB -0.941 41.102 42.059 -0.025 0.000 0.910 599 L HN 0.039 nan 8.230 nan 0.000 0.437 600 A N -0.726 122.066 122.820 -0.046 0.000 1.873 600 A HA -0.293 4.024 4.320 -0.004 0.000 0.218 600 A C 2.134 179.628 177.584 -0.151 0.000 1.193 600 A CA 2.324 54.180 52.037 -0.303 0.000 0.629 600 A CB -1.250 17.439 19.000 -0.518 0.000 0.826 600 A HN 0.527 nan 8.150 nan 0.000 0.447 601 Y N -0.112 120.174 120.300 -0.024 0.000 2.165 601 Y HA -0.088 4.460 4.550 -0.004 0.000 0.286 601 Y C 2.969 178.838 175.900 -0.052 0.000 1.155 601 Y CA 0.304 58.398 58.100 -0.010 0.000 1.164 601 Y CB -1.331 37.132 38.460 0.005 0.000 0.978 601 Y HN 0.334 nan 8.280 nan 0.000 0.513 602 A N 0.188 123.048 122.820 0.066 0.000 1.883 602 A HA -0.256 4.062 4.320 -0.004 0.000 0.217 602 A C 2.403 180.014 177.584 0.044 0.000 1.186 602 A CA 2.841 54.890 52.037 0.021 0.000 0.624 602 A CB -1.461 17.553 19.000 0.023 0.000 0.822 602 A HN 0.543 nan 8.150 nan 0.000 0.444 603 T N -1.919 112.666 114.554 0.051 0.000 2.929 603 T HA -0.002 4.346 4.350 -0.004 0.000 0.271 603 T C 1.706 176.435 174.700 0.048 0.000 1.085 603 T CA 1.444 63.577 62.100 0.056 0.000 1.125 603 T CB -0.424 68.478 68.868 0.056 0.000 0.874 603 T HN 0.327 nan 8.240 nan 0.000 0.494 604 L N 1.211 122.463 121.223 0.049 0.000 2.102 604 L HA 0.104 4.442 4.340 -0.004 0.000 0.202 604 L C 3.050 179.954 176.870 0.058 0.000 1.076 604 L CA 0.932 55.806 54.840 0.058 0.000 0.761 604 L CB -0.566 41.541 42.059 0.081 0.000 0.921 604 L HN 0.283 nan 8.230 nan 0.000 0.444 605 V N -2.828 117.119 119.914 0.054 0.000 2.548 605 V HA -0.220 3.898 4.120 -0.004 0.000 0.249 605 V C 2.019 178.100 176.094 -0.021 0.000 1.055 605 V CA 1.965 64.272 62.300 0.013 0.000 1.065 605 V CB -0.698 31.122 31.823 -0.005 0.000 0.681 605 V HN 0.384 nan 8.190 nan 0.000 0.462 606 D N 2.374 122.784 120.400 0.015 0.000 2.172 606 D HA -0.290 4.348 4.640 -0.004 0.000 0.196 606 D C 1.935 178.368 176.300 0.222 0.000 0.999 606 D CA 2.063 56.134 54.000 0.119 0.000 0.856 606 D CB -0.227 40.660 40.800 0.146 0.000 0.934 606 D HN 0.901 nan 8.370 nan 0.000 0.453 607 E N -1.764 118.509 120.200 0.122 0.000 2.451 607 E HA 0.287 4.635 4.350 -0.004 0.000 0.194 607 E C 1.154 177.803 176.600 0.082 0.000 1.027 607 E CA 0.384 56.849 56.400 0.108 0.000 0.914 607 E CB 0.165 29.912 29.700 0.078 0.000 1.054 607 E HN 0.224 nan 8.360 nan 0.000 0.461 608 G N 1.271 110.112 108.800 0.069 0.000 2.179 608 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.220 608 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.220 608 G C 0.168 175.086 174.900 0.029 0.000 0.990 608 G CA -0.018 45.110 45.100 0.047 0.000 0.646 608 G HN 0.316 nan 8.290 nan 0.000 0.517 609 I N 2.978 123.567 120.570 0.033 0.000 2.322 609 I HA 0.279 4.447 4.170 -0.004 0.000 0.292 609 I C -1.920 174.215 176.117 0.031 0.000 1.060 609 I CA -2.024 59.293 61.300 0.028 0.000 1.309 609 I CB 1.118 39.139 38.000 0.034 0.000 1.415 609 I HN -0.090 nan 8.210 nan 0.000 0.492 610 P HA 0.234 nan 4.420 nan 0.000 0.277 610 P C -0.729 176.579 177.300 0.015 0.000 1.240 610 P CA -0.277 62.835 63.100 0.019 0.000 0.798 610 P CB 1.143 32.851 31.700 0.013 0.000 0.979 611 V N 2.664 122.568 119.914 -0.017 0.000 2.604 611 V HA 0.522 4.640 4.120 -0.004 0.000 0.305 611 V C 0.127 176.049 176.094 -0.286 0.000 1.043 611 V CA -0.633 61.602 62.300 -0.109 0.000 0.888 611 V CB 1.846 33.618 31.823 -0.084 0.000 0.995 611 V HN 0.476 nan 8.190 nan 0.000 0.429 612 R N 3.918 124.270 120.500 -0.246 0.000 2.409 612 R HA 0.682 5.020 4.340 -0.004 0.000 0.313 612 R C -1.905 174.227 176.300 -0.280 0.000 0.953 612 R CA -0.615 55.304 56.100 -0.301 0.000 0.849 612 R CB 1.490 31.646 30.300 -0.240 0.000 1.171 612 R HN 0.601 nan 8.270 nan 0.000 0.458 613 L N 3.057 124.037 121.223 -0.404 0.000 2.341 613 L HA 0.589 4.927 4.340 -0.004 0.000 0.278 613 L C -1.311 175.487 176.870 -0.119 0.000 1.005 613 L CA 0.063 54.748 54.840 -0.257 0.000 0.818 613 L CB 2.068 43.910 42.059 -0.362 0.000 1.259 613 L HN 0.625 nan 8.230 nan 0.000 0.418 614 S N 3.333 119.052 115.700 0.033 0.000 2.575 614 S HA 0.973 5.441 4.470 -0.004 0.000 0.278 614 S C -0.701 173.963 174.600 0.105 0.000 1.139 614 S CA 0.243 58.552 58.200 0.181 0.000 0.954 614 S CB 1.152 64.548 63.200 0.327 0.000 1.054 614 S HN 1.405 nan 8.310 nan 0.000 0.483 615 G N 2.429 111.281 108.800 0.087 0.000 2.340 615 G HA2 0.311 4.269 3.960 -0.004 0.000 0.300 615 G HA3 0.311 4.269 3.960 -0.004 0.000 0.300 615 G C -1.590 173.289 174.900 -0.035 0.000 1.488 615 G CA -0.897 44.152 45.100 -0.086 0.000 0.878 615 G HN 0.765 nan 8.290 nan 0.000 0.618 616 E N 0.860 121.016 120.200 -0.073 0.000 2.498 616 E HA 0.294 4.642 4.350 -0.004 0.000 0.252 616 E C 0.152 176.688 176.600 -0.107 0.000 1.025 616 E CA 0.904 57.265 56.400 -0.065 0.000 0.938 616 E CB 0.093 29.746 29.700 -0.079 0.000 0.947 616 E HN 0.459 nan 8.360 nan 0.000 0.478 617 D N 2.880 123.235 120.400 -0.074 0.000 2.870 617 D HA -0.186 4.452 4.640 -0.004 0.000 0.228 617 D C 0.320 176.547 176.300 -0.122 0.000 1.147 617 D CA 1.050 54.986 54.000 -0.107 0.000 0.757 617 D CB -1.231 39.453 40.800 -0.192 0.000 1.091 617 D HN 0.368 nan 8.370 nan 0.000 0.429 618 S N -0.894 114.759 115.700 -0.079 0.000 2.428 618 S HA -0.011 4.457 4.470 -0.004 0.000 0.230 618 S C 2.172 176.736 174.600 -0.060 0.000 1.014 618 S CA 1.022 59.177 58.200 -0.075 0.000 0.957 618 S CB 0.105 63.266 63.200 -0.065 0.000 0.784 618 S HN 0.585 nan 8.310 nan 0.000 0.499 619 G N 1.636 110.410 108.800 -0.043 0.000 2.476 619 G HA2 -0.236 3.722 3.960 -0.004 0.000 0.218 619 G HA3 -0.236 3.722 3.960 -0.004 0.000 0.218 619 G C 1.567 176.460 174.900 -0.013 0.000 1.164 619 G CA 0.658 45.751 45.100 -0.013 0.000 0.768 619 G HN 0.389 nan 8.290 nan 0.000 0.560 620 R N -0.446 120.018 120.500 -0.059 0.000 2.087 620 R HA 0.335 4.673 4.340 -0.004 0.000 0.216 620 R C 0.951 177.050 176.300 -0.334 0.000 1.114 620 R CA 0.709 56.703 56.100 -0.176 0.000 1.002 620 R CB 0.112 30.352 30.300 -0.099 0.000 0.903 620 R HN 0.490 nan 8.270 nan 0.000 0.445 621 G N -0.315 108.315 108.800 -0.283 0.000 3.055 621 G HA2 -0.157 3.801 3.960 -0.004 0.000 0.685 621 G HA3 -0.157 3.801 3.960 -0.004 0.000 0.685 621 G C 0.241 174.833 174.900 -0.514 0.000 1.212 621 G CA -0.366 44.588 45.100 -0.243 0.000 0.822 621 G HN 0.037 nan 8.290 nan 0.000 0.610 622 T N 1.433 115.660 114.554 -0.545 0.000 2.778 622 T HA -0.088 4.260 4.350 -0.004 0.000 0.269 622 T C 1.610 175.624 174.700 -1.144 0.000 1.050 622 T CA 2.467 64.010 62.100 -0.927 0.000 1.137 622 T CB -0.228 67.942 68.868 -1.162 0.000 0.860 622 T HN 0.457 nan 8.240 nan 0.000 0.468 623 F N -0.687 119.074 119.950 -0.315 0.000 2.639 623 F HA 0.428 4.953 4.527 -0.003 0.000 0.302 623 F C -0.122 175.751 175.800 0.122 0.000 1.097 623 F CA -1.250 56.700 58.000 -0.084 0.000 1.294 623 F CB -0.375 38.580 39.000 -0.075 0.000 1.027 623 F HN -0.085 nan 8.300 nan 0.000 0.550 624 F N 0.271 120.285 119.950 0.108 0.000 3.056 624 F HA -0.281 4.244 4.527 -0.004 0.000 0.301 624 F C 1.638 177.491 175.800 0.090 0.000 0.907 624 F CA 0.770 58.775 58.000 0.009 0.000 1.113 624 F CB -2.161 36.912 39.000 0.122 0.000 1.123 624 F HN 0.452 nan 8.300 nan 0.000 0.661 625 H N -1.008 118.110 119.070 0.079 0.000 2.855 625 H HA 0.311 4.865 4.556 -0.004 0.000 0.259 625 H C 2.092 177.529 175.328 0.181 0.000 0.972 625 H CA 0.785 56.942 56.048 0.180 0.000 1.213 625 H CB 0.038 29.899 29.762 0.165 0.000 1.451 625 H HN 0.523 nan 8.280 nan 0.000 0.484 626 R N -0.037 120.079 120.500 -0.640 0.000 2.072 626 R HA 0.006 4.343 4.340 -0.004 0.000 0.214 626 R C 0.184 176.459 176.300 -0.042 0.000 1.168 626 R CA 0.544 56.348 56.100 -0.494 0.000 1.020 626 R CB 0.208 30.213 30.300 -0.491 0.000 0.914 626 R HN 0.260 nan 8.270 nan 0.000 0.449 627 H N -0.836 118.251 119.070 0.028 0.000 2.626 627 H HA -0.174 4.380 4.556 -0.004 0.000 0.317 627 H C 0.673 176.118 175.328 0.194 0.000 1.140 627 H CA 0.532 56.677 56.048 0.163 0.000 1.134 627 H CB -1.355 28.560 29.762 0.255 0.000 1.486 627 H HN 0.499 nan 8.280 nan 0.000 0.417 628 A N -0.014 122.918 122.820 0.188 0.000 2.014 628 A HA 0.151 4.468 4.320 -0.004 0.000 0.218 628 A C 1.365 179.043 177.584 0.156 0.000 1.163 628 A CA 1.131 53.274 52.037 0.177 0.000 0.652 628 A CB 0.630 19.750 19.000 0.201 0.000 0.808 628 A HN 0.126 nan 8.150 nan 0.000 0.449 629 V N 0.697 120.695 119.914 0.141 0.000 2.459 629 V HA 0.418 4.536 4.120 -0.004 0.000 0.295 629 V C -0.573 175.598 176.094 0.128 0.000 1.029 629 V CA -0.378 61.967 62.300 0.074 0.000 0.874 629 V CB 1.526 33.344 31.823 -0.007 0.000 0.985 629 V HN 0.333 nan 8.190 nan 0.000 0.438 630 I N 3.879 124.497 120.570 0.080 0.000 2.354 630 I HA 0.392 4.560 4.170 -0.004 0.000 0.292 630 I C -0.460 175.675 176.117 0.029 0.000 0.989 630 I CA -0.559 60.802 61.300 0.102 0.000 1.188 630 I CB 1.309 39.331 38.000 0.037 0.000 1.342 630 I HN 0.620 nan 8.210 nan 0.000 0.457 631 H N 4.936 124.058 119.070 0.085 0.000 2.723 631 H HA 0.189 4.743 4.556 -0.004 0.000 0.294 631 H C 0.117 175.469 175.328 0.039 0.000 1.079 631 H CA -0.117 55.971 56.048 0.066 0.000 1.411 631 H CB 0.466 30.272 29.762 0.073 0.000 1.439 631 H HN 0.398 nan 8.280 nan 0.000 0.474 632 N N 2.182 120.937 118.700 0.091 0.000 2.513 632 N HA -0.050 4.688 4.740 -0.004 0.000 0.268 632 N C 0.410 175.961 175.510 0.068 0.000 1.180 632 N CA 0.160 53.240 53.050 0.050 0.000 0.948 632 N CB 0.912 39.410 38.487 0.019 0.000 1.083 632 N HN 0.691 nan 8.380 nan 0.000 0.455 633 Q N 1.169 120.991 119.800 0.038 0.000 2.319 633 Q HA 0.121 4.459 4.340 -0.004 0.000 0.202 633 Q C 0.679 176.690 176.000 0.018 0.000 0.896 633 Q CA 0.193 56.016 55.803 0.033 0.000 0.942 633 Q CB 0.428 29.177 28.738 0.020 0.000 1.083 633 Q HN 0.528 nan 8.270 nan 0.000 0.510 634 S N 1.034 116.740 115.700 0.010 0.000 2.438 634 S HA -0.053 4.415 4.470 -0.004 0.000 0.220 634 S C 1.982 176.589 174.600 0.011 0.000 1.045 634 S CA 0.983 59.185 58.200 0.003 0.000 0.940 634 S CB -0.477 62.717 63.200 -0.011 0.000 0.863 634 S HN 0.662 nan 8.310 nan 0.000 0.539 635 N N 0.436 119.145 118.700 0.014 0.000 2.422 635 N HA 0.334 5.072 4.740 -0.004 0.000 0.181 635 N C 1.455 176.986 175.510 0.035 0.000 1.080 635 N CA 0.916 53.978 53.050 0.020 0.000 0.893 635 N CB -0.692 37.805 38.487 0.016 0.000 0.973 635 N HN 0.668 nan 8.380 nan 0.000 0.456 636 G N -0.390 108.439 108.800 0.049 0.000 2.196 636 G HA2 -0.262 3.695 3.960 -0.004 0.000 0.268 636 G HA3 -0.262 3.695 3.960 -0.004 0.000 0.268 636 G C 0.751 175.705 174.900 0.091 0.000 0.975 636 G CA 1.562 46.709 45.100 0.079 0.000 0.648 636 G HN 1.636 nan 8.290 nan 0.000 0.538 637 S N -0.571 115.162 115.700 0.055 0.000 2.625 637 S HA 0.772 5.240 4.470 -0.004 0.000 0.262 637 S C 0.413 175.007 174.600 -0.010 0.000 1.223 637 S CA 0.720 58.939 58.200 0.032 0.000 0.993 637 S CB 1.520 64.737 63.200 0.028 0.000 1.051 637 S HN 1.668 nan 8.310 nan 0.000 0.562 638 T N -2.216 112.310 114.554 -0.048 0.000 2.916 638 T HA 0.623 4.971 4.350 -0.004 0.000 0.292 638 T C -1.417 173.308 174.700 0.042 0.000 1.064 638 T CA -0.685 61.355 62.100 -0.100 0.000 1.011 638 T CB 1.262 69.973 68.868 -0.263 0.000 1.152 638 T HN 0.815 nan 8.240 nan 0.000 0.510 639 Y N 0.213 120.458 120.300 -0.092 0.000 2.421 639 Y HA 0.565 5.113 4.550 -0.004 0.000 0.339 639 Y C -1.087 174.809 175.900 -0.007 0.000 0.996 639 Y CA -0.558 57.518 58.100 -0.040 0.000 1.046 639 Y CB 2.283 40.690 38.460 -0.088 0.000 1.226 639 Y HN 0.874 nan 8.280 nan 0.000 0.445 640 T N 8.922 123.171 114.554 -0.509 0.000 2.977 640 T HA 0.228 4.576 4.350 -0.004 0.000 0.346 640 T C -2.241 172.185 174.700 -0.458 0.000 1.140 640 T CA -1.349 60.556 62.100 -0.325 0.000 1.040 640 T CB 1.333 70.112 68.868 -0.149 0.000 1.046 640 T HN 0.478 nan 8.240 nan 0.000 0.494 641 P HA -0.076 nan 4.420 nan 0.000 0.216 641 P C 1.410 178.634 177.300 -0.127 0.000 1.154 641 P CA 0.926 63.961 63.100 -0.108 0.000 0.865 641 P CB 0.113 31.904 31.700 0.151 0.000 0.789 642 L N -1.193 119.863 121.223 -0.279 0.000 2.549 642 L HA -0.134 4.204 4.340 -0.004 0.000 0.229 642 L C 2.066 178.733 176.870 -0.337 0.000 1.158 642 L CA 1.118 55.700 54.840 -0.431 0.000 0.842 642 L CB -0.670 40.743 42.059 -1.077 0.000 0.952 642 L HN 0.057 nan 8.230 nan 0.000 0.452 643 Q N -1.363 118.243 119.800 -0.323 0.000 2.360 643 Q HA 0.006 4.344 4.340 -0.004 0.000 0.202 643 Q C -0.010 175.602 176.000 -0.647 0.000 0.915 643 Q CA 0.326 55.866 55.803 -0.438 0.000 0.943 643 Q CB 0.363 28.793 28.738 -0.513 0.000 1.064 643 Q HN 0.568 nan 8.270 nan 0.000 0.511 644 H N -1.056 117.931 119.070 -0.138 0.000 2.674 644 H HA 0.246 4.799 4.556 -0.004 0.000 0.235 644 H C 0.540 175.857 175.328 -0.018 0.000 1.330 644 H CA -0.150 55.864 56.048 -0.056 0.000 1.052 644 H CB 0.462 30.223 29.762 -0.001 0.000 1.954 644 H HN 0.086 nan 8.280 nan 0.000 0.566 645 I N -0.193 120.368 120.570 -0.015 0.000 2.522 645 I HA 0.043 4.211 4.170 -0.004 0.000 0.240 645 I C 0.350 176.518 176.117 0.085 0.000 1.078 645 I CA 0.510 61.814 61.300 0.006 0.000 1.422 645 I CB 0.312 38.260 38.000 -0.087 0.000 1.188 645 I HN 0.428 nan 8.210 nan 0.000 0.442 646 H N -1.725 117.360 119.070 0.026 0.000 3.064 646 H HA 0.346 4.900 4.556 -0.003 0.000 0.352 646 H C -0.811 174.526 175.328 0.015 0.000 1.260 646 H CA -0.983 55.082 56.048 0.027 0.000 1.160 646 H CB -0.020 29.757 29.762 0.025 0.000 1.879 646 H HN -0.061 nan 8.280 nan 0.000 0.544 647 N N 0.516 119.335 118.700 0.199 0.000 2.357 647 N HA 0.190 4.928 4.740 -0.004 0.000 0.257 647 N C 0.762 176.391 175.510 0.198 0.000 1.250 647 N CA 2.128 55.256 53.050 0.131 0.000 0.862 647 N CB 0.340 38.888 38.487 0.101 0.000 1.066 647 N HN 1.101 nan 8.380 nan 0.000 0.468 648 G N 1.542 110.393 108.800 0.084 0.000 2.136 648 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.242 648 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.242 648 G C 0.132 175.070 174.900 0.063 0.000 0.989 648 G CA 0.406 45.557 45.100 0.086 0.000 0.682 648 G HN 0.769 nan 8.290 nan 0.000 0.522 649 Q N -0.064 119.668 119.800 -0.113 0.000 2.396 649 Q HA 0.564 4.902 4.340 -0.004 0.000 0.221 649 Q C 0.984 176.931 176.000 -0.088 0.000 1.025 649 Q CA -0.411 55.253 55.803 -0.232 0.000 0.946 649 Q CB 0.518 28.984 28.738 -0.453 0.000 1.224 649 Q HN 0.827 nan 8.270 nan 0.000 0.539 650 G N -0.048 108.720 108.800 -0.054 0.000 2.484 650 G HA2 0.310 4.268 3.960 -0.004 0.000 0.235 650 G HA3 0.310 4.268 3.960 -0.004 0.000 0.235 650 G C -0.255 174.631 174.900 -0.023 0.000 1.282 650 G CA -0.105 44.984 45.100 -0.018 0.000 0.857 650 G HN 0.804 nan 8.290 nan 0.000 0.571 651 A N 1.267 124.078 122.820 -0.014 0.000 2.445 651 A HA 0.515 4.833 4.320 -0.004 0.000 0.242 651 A C -0.594 176.998 177.584 0.014 0.000 1.075 651 A CA -0.092 51.934 52.037 -0.019 0.000 0.777 651 A CB 0.287 19.274 19.000 -0.022 0.000 1.013 651 A HN 0.984 nan 8.150 nan 0.000 0.493 652 F N 2.063 121.908 119.950 -0.175 0.000 2.507 652 F HA 0.650 5.175 4.527 -0.003 0.000 0.328 652 F C -0.007 175.615 175.800 -0.297 0.000 1.136 652 F CA -0.526 57.342 58.000 -0.220 0.000 0.930 652 F CB 1.413 40.284 39.000 -0.215 0.000 1.166 652 F HN 0.607 nan 8.300 nan 0.000 0.436 653 R N 5.284 125.208 120.500 -0.959 0.000 2.575 653 R HA 0.706 5.044 4.340 -0.004 0.000 0.293 653 R C -1.677 173.840 176.300 -1.306 0.000 0.983 653 R CA -1.086 54.401 56.100 -1.021 0.000 0.887 653 R CB 2.421 32.293 30.300 -0.714 0.000 1.184 653 R HN 0.437 nan 8.270 nan 0.000 0.445 654 V N 1.335 120.507 119.914 -1.237 0.000 2.495 654 V HA 0.556 4.674 4.120 -0.004 0.000 0.298 654 V C -0.954 174.629 176.094 -0.851 0.000 1.031 654 V CA -1.078 60.703 62.300 -0.864 0.000 0.871 654 V CB 1.343 32.899 31.823 -0.445 0.000 0.988 654 V HN 0.694 nan 8.190 nan 0.000 0.432 655 W N 1.367 122.557 121.300 -0.184 0.000 2.683 655 W HA 0.524 5.182 4.660 -0.003 0.000 0.329 655 W C -0.552 175.956 176.519 -0.018 0.000 1.037 655 W CA -0.615 56.657 57.345 -0.121 0.000 1.232 655 W CB 1.614 30.929 29.460 -0.241 0.000 1.390 655 W HN 0.455 nan 8.180 nan 0.000 0.465 656 D N 3.288 123.842 120.400 0.257 0.000 2.468 656 D HA 0.127 4.765 4.640 -0.004 0.000 0.218 656 D C 0.433 176.851 176.300 0.196 0.000 1.155 656 D CA 0.211 54.310 54.000 0.166 0.000 0.924 656 D CB 0.596 41.458 40.800 0.103 0.000 1.029 656 D HN 0.207 nan 8.370 nan 0.000 0.515 657 S N 0.227 116.056 115.700 0.215 0.000 2.665 657 S HA 0.175 4.643 4.470 -0.004 0.000 0.264 657 S C 0.575 175.192 174.600 0.028 0.000 1.408 657 S CA -0.269 57.985 58.200 0.090 0.000 1.011 657 S CB 0.256 63.517 63.200 0.102 0.000 0.827 657 S HN 0.560 nan 8.310 nan 0.000 0.505 658 V N 0.109 120.005 119.914 -0.031 0.000 3.048 658 V HA 0.665 4.783 4.120 -0.004 0.000 0.303 658 V C 0.117 176.181 176.094 -0.051 0.000 1.214 658 V CA -1.496 60.785 62.300 -0.030 0.000 0.984 658 V CB 0.760 32.567 31.823 -0.027 0.000 1.054 658 V HN 0.936 nan 8.190 nan 0.000 0.430 659 L N 1.857 123.055 121.223 -0.042 0.000 6.991 659 L HA -0.299 4.039 4.340 -0.004 0.000 0.084 659 L C 1.251 178.095 176.870 -0.045 0.000 1.353 659 L CA 1.176 55.990 54.840 -0.043 0.000 1.687 659 L CB -1.184 40.843 42.059 -0.053 0.000 2.662 659 L HN 1.686 nan 8.230 nan 0.000 1.067 660 S N -0.982 114.690 115.700 -0.048 0.000 3.682 660 S HA -0.184 4.284 4.470 -0.004 0.000 0.354 660 S C 1.059 175.630 174.600 -0.048 0.000 1.034 660 S CA 1.225 59.386 58.200 -0.064 0.000 1.084 660 S CB -0.823 62.304 63.200 -0.123 0.000 0.903 660 S HN 0.694 nan 8.310 nan 0.000 0.470 661 E N 0.237 120.439 120.200 0.004 0.000 2.158 661 E HA -0.130 4.218 4.350 -0.004 0.000 0.191 661 E C 1.943 178.526 176.600 -0.027 0.000 0.982 661 E CA 0.990 57.426 56.400 0.060 0.000 0.823 661 E CB 0.040 29.829 29.700 0.150 0.000 0.766 661 E HN 0.807 nan 8.360 nan 0.000 0.468 662 E N 0.220 120.403 120.200 -0.029 0.000 2.072 662 E HA -0.169 4.179 4.350 -0.004 0.000 0.191 662 E C 1.923 178.474 176.600 -0.083 0.000 0.985 662 E CA 0.970 57.336 56.400 -0.057 0.000 0.801 662 E CB -0.035 29.655 29.700 -0.016 0.000 0.750 662 E HN 0.202 nan 8.360 nan 0.000 0.452 663 A N 0.484 123.265 122.820 -0.064 0.000 1.930 663 A HA -0.108 4.210 4.320 -0.004 0.000 0.217 663 A C 2.375 179.923 177.584 -0.061 0.000 1.175 663 A CA 1.282 53.287 52.037 -0.055 0.000 0.627 663 A CB -0.550 18.414 19.000 -0.060 0.000 0.815 663 A HN 0.226 nan 8.150 nan 0.000 0.443 664 V N -0.351 119.490 119.914 -0.122 0.000 2.270 664 V HA -0.209 3.909 4.120 -0.004 0.000 0.245 664 V C 2.473 178.486 176.094 -0.136 0.000 1.043 664 V CA 1.935 64.161 62.300 -0.123 0.000 1.014 664 V CB -0.718 31.053 31.823 -0.086 0.000 0.645 664 V HN 0.576 nan 8.190 nan 0.000 0.447 665 L N 0.824 121.809 121.223 -0.396 0.000 2.083 665 L HA -0.055 4.283 4.340 -0.004 0.000 0.209 665 L C 2.455 179.198 176.870 -0.211 0.000 1.083 665 L CA 2.254 56.739 54.840 -0.592 0.000 0.752 665 L CB -1.086 40.465 42.059 -0.847 0.000 0.899 665 L HN 0.237 nan 8.230 nan 0.000 0.433 666 A N -0.833 121.892 122.820 -0.158 0.000 1.892 666 A HA -0.312 4.006 4.320 -0.004 0.000 0.218 666 A C 2.332 179.933 177.584 0.028 0.000 1.188 666 A CA 2.087 54.044 52.037 -0.134 0.000 0.631 666 A CB -1.281 17.618 19.000 -0.168 0.000 0.822 666 A HN 0.546 nan 8.150 nan 0.000 0.447 667 F N 0.877 120.796 119.950 -0.051 0.000 2.095 667 F HA -0.197 4.327 4.527 -0.004 0.000 0.298 667 F C 2.342 178.197 175.800 0.092 0.000 1.104 667 F CA 2.182 60.207 58.000 0.041 0.000 1.232 667 F CB 0.002 39.062 39.000 0.100 0.000 0.987 667 F HN 0.229 nan 8.300 nan 0.000 0.475 668 E N -0.531 119.892 120.200 0.371 0.000 2.204 668 E HA -0.248 4.100 4.350 -0.004 0.000 0.194 668 E C 1.884 178.592 176.600 0.179 0.000 0.989 668 E CA 1.169 57.737 56.400 0.280 0.000 0.824 668 E CB -1.001 28.849 29.700 0.249 0.000 0.756 668 E HN 0.650 nan 8.360 nan 0.000 0.477 669 Y N 1.577 121.881 120.300 0.007 0.000 2.163 669 Y HA -0.082 4.465 4.550 -0.004 0.000 0.288 669 Y C 2.381 178.278 175.900 -0.006 0.000 1.136 669 Y CA 1.889 59.984 58.100 -0.009 0.000 1.147 669 Y CB -0.695 37.702 38.460 -0.104 0.000 0.987 669 Y HN 0.007 nan 8.280 nan 0.000 0.509 670 G N -0.898 107.803 108.800 -0.165 0.000 2.440 670 G HA2 -0.364 3.594 3.960 -0.004 0.000 0.218 670 G HA3 -0.364 3.594 3.960 -0.004 0.000 0.218 670 G C 1.610 176.365 174.900 -0.243 0.000 1.154 670 G CA 1.096 46.037 45.100 -0.266 0.000 0.767 670 G HN 0.577 nan 8.290 nan 0.000 0.552 671 Y N 1.712 121.836 120.300 -0.294 0.000 2.089 671 Y HA 0.002 4.550 4.550 -0.004 0.000 0.282 671 Y C 3.044 178.876 175.900 -0.114 0.000 1.139 671 Y CA 1.785 59.756 58.100 -0.216 0.000 1.123 671 Y CB -0.321 38.052 38.460 -0.145 0.000 0.980 671 Y HN 0.247 nan 8.280 nan 0.000 0.493 672 A N -0.919 121.993 122.820 0.153 0.000 1.978 672 A HA -0.221 4.097 4.320 -0.004 0.000 0.220 672 A C 2.156 179.793 177.584 0.088 0.000 1.170 672 A CA 2.290 54.394 52.037 0.112 0.000 0.636 672 A CB -1.318 17.753 19.000 0.118 0.000 0.810 672 A HN 0.527 nan 8.150 nan 0.000 0.448 673 T N -0.248 114.248 114.554 -0.097 0.000 2.915 673 T HA 0.095 4.442 4.350 -0.004 0.000 0.269 673 T C 1.926 176.735 174.700 0.182 0.000 1.071 673 T CA 1.329 63.375 62.100 -0.091 0.000 1.132 673 T CB -0.178 68.415 68.868 -0.458 0.000 0.878 673 T HN 0.591 nan 8.240 nan 0.000 0.479 674 A N 0.513 123.359 122.820 0.044 0.000 2.095 674 A HA 0.284 4.602 4.320 -0.004 0.000 0.212 674 A C 1.077 178.658 177.584 -0.005 0.000 1.162 674 A CA 0.226 52.291 52.037 0.048 0.000 0.753 674 A CB 0.261 19.170 19.000 -0.151 0.000 0.840 674 A HN 0.298 nan 8.150 nan 0.000 0.468 675 E N 0.032 120.153 120.200 -0.130 0.000 2.731 675 E HA 0.286 4.634 4.350 -0.004 0.000 0.248 675 E C -2.368 173.992 176.600 -0.399 0.000 1.084 675 E CA -2.131 54.085 56.400 -0.307 0.000 0.776 675 E CB 1.499 30.978 29.700 -0.368 0.000 1.404 675 E HN 0.146 nan 8.360 nan 0.000 0.395 676 P HA 0.039 nan 4.420 nan 0.000 0.245 676 P C 0.651 177.496 177.300 -0.758 0.000 1.206 676 P CA 0.196 62.639 63.100 -1.095 0.000 0.781 676 P CB 0.439 30.719 31.700 -2.367 0.000 0.994 677 R N -0.714 119.502 120.500 -0.473 0.000 2.240 677 R HA 0.122 4.460 4.340 -0.004 0.000 0.203 677 R C 0.592 176.816 176.300 -0.127 0.000 1.011 677 R CA 0.671 56.636 56.100 -0.224 0.000 1.007 677 R CB -0.194 30.032 30.300 -0.123 0.000 0.911 677 R HN 0.120 nan 8.270 nan 0.000 0.468 678 T N 0.976 115.461 114.554 -0.115 0.000 2.875 678 T HA 0.262 4.610 4.350 -0.004 0.000 0.284 678 T C -0.828 173.871 174.700 -0.001 0.000 0.995 678 T CA -0.556 61.535 62.100 -0.014 0.000 1.060 678 T CB 1.570 70.486 68.868 0.080 0.000 0.967 678 T HN -0.096 nan 8.240 nan 0.000 0.476 679 L N 3.884 125.116 121.223 0.015 0.000 2.278 679 L HA 0.419 4.757 4.340 -0.004 0.000 0.287 679 L C -0.136 176.753 176.870 0.032 0.000 1.072 679 L CA 0.335 55.191 54.840 0.027 0.000 0.819 679 L CB 0.408 42.493 42.059 0.044 0.000 1.176 679 L HN 0.581 nan 8.230 nan 0.000 0.435 680 T N 6.982 121.576 114.554 0.067 0.000 2.772 680 T HA 0.598 4.946 4.350 -0.004 0.000 0.288 680 T C -0.183 174.581 174.700 0.107 0.000 0.994 680 T CA -0.131 62.017 62.100 0.079 0.000 0.951 680 T CB 0.488 69.451 68.868 0.158 0.000 0.933 680 T HN 0.402 nan 8.240 nan 0.000 0.447 681 I N 2.718 123.340 120.570 0.087 0.000 2.465 681 I HA 0.512 4.680 4.170 -0.004 0.000 0.291 681 I C -1.052 175.194 176.117 0.216 0.000 1.014 681 I CA -0.965 60.417 61.300 0.137 0.000 1.093 681 I CB 2.004 40.056 38.000 0.086 0.000 1.267 681 I HN 0.626 nan 8.210 nan 0.000 0.431 682 W N 6.884 128.234 121.300 0.084 0.000 2.532 682 W HA 0.472 5.130 4.660 -0.004 0.000 0.321 682 W C -0.817 175.762 176.519 0.101 0.000 1.037 682 W CA -0.541 56.864 57.345 0.099 0.000 1.220 682 W CB 1.323 30.857 29.460 0.124 0.000 1.361 682 W HN 0.437 nan 8.180 nan 0.000 0.468 683 E N 4.677 124.403 120.200 -0.790 0.000 2.155 683 E HA 0.592 4.940 4.350 -0.004 0.000 0.264 683 E C -0.514 175.390 176.600 -1.160 0.000 0.886 683 E CA -0.665 55.298 56.400 -0.728 0.000 0.752 683 E CB 1.205 30.723 29.700 -0.304 0.000 1.133 683 E HN 0.565 nan 8.360 nan 0.000 0.414 684 A N 3.980 126.108 122.820 -1.154 0.000 2.462 684 A HA 0.012 4.329 4.320 -0.004 0.000 0.243 684 A C 1.126 178.559 177.584 -0.252 0.000 1.076 684 A CA -0.013 51.629 52.037 -0.659 0.000 0.773 684 A CB 0.844 19.735 19.000 -0.182 0.000 1.010 684 A HN 0.961 nan 8.150 nan 0.000 0.493 685 Q N 0.211 119.964 119.800 -0.080 0.000 2.029 685 Q HA -0.153 4.185 4.340 -0.004 0.000 0.209 685 Q C -0.773 175.119 176.000 -0.180 0.000 0.999 685 Q CA 1.632 57.393 55.803 -0.069 0.000 0.857 685 Q CB -0.037 28.805 28.738 0.174 0.000 0.926 685 Q HN 0.710 nan 8.270 nan 0.000 0.415 686 F N -2.845 117.261 119.950 0.260 0.000 2.565 686 F HA 0.347 4.872 4.527 -0.004 0.000 0.313 686 F C 0.954 176.815 175.800 0.103 0.000 1.091 686 F CA -0.370 57.736 58.000 0.177 0.000 0.915 686 F CB 1.592 40.612 39.000 0.035 0.000 1.208 686 F HN 0.015 nan 8.300 nan 0.000 0.453 687 G N 0.676 109.624 108.800 0.246 0.000 2.442 687 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.219 687 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.219 687 G C 0.932 175.931 174.900 0.165 0.000 1.141 687 G CA 1.201 46.431 45.100 0.217 0.000 0.763 687 G HN 0.728 nan 8.290 nan 0.000 0.554 688 D N 0.500 120.895 120.400 -0.009 0.000 2.220 688 D HA -0.173 4.465 4.640 -0.004 0.000 0.198 688 D C 1.778 177.941 176.300 -0.228 0.000 1.001 688 D CA 0.930 54.794 54.000 -0.226 0.000 0.875 688 D CB -0.435 40.016 40.800 -0.582 0.000 0.921 688 D HN 0.528 nan 8.370 nan 0.000 0.454 689 F N 0.211 120.242 119.950 0.134 0.000 2.710 689 F HA 0.236 4.761 4.527 -0.004 0.000 0.298 689 F C 2.347 178.265 175.800 0.197 0.000 1.137 689 F CA 0.060 58.142 58.000 0.136 0.000 1.444 689 F CB 0.011 39.096 39.000 0.142 0.000 1.111 689 F HN -0.059 nan 8.300 nan 0.000 0.580 690 A N 1.152 124.205 122.820 0.387 0.000 2.067 690 A HA -0.204 4.114 4.320 -0.004 0.000 0.219 690 A C 1.963 179.697 177.584 0.251 0.000 1.158 690 A CA 1.542 53.830 52.037 0.417 0.000 0.661 690 A CB -0.811 18.493 19.000 0.508 0.000 0.801 690 A HN 0.486 nan 8.150 nan 0.000 0.452 691 N N 0.662 119.475 118.700 0.189 0.000 2.519 691 N HA -0.053 4.684 4.740 -0.004 0.000 0.186 691 N C 1.403 176.976 175.510 0.104 0.000 1.062 691 N CA 1.375 54.489 53.050 0.108 0.000 0.910 691 N CB -1.334 37.196 38.487 0.073 0.000 0.958 691 N HN 0.259 nan 8.380 nan 0.000 0.445 692 G N -0.713 108.176 108.800 0.150 0.000 2.535 692 G HA2 0.047 4.005 3.960 -0.004 0.000 0.218 692 G HA3 0.047 4.005 3.960 -0.004 0.000 0.218 692 G C 0.934 175.876 174.900 0.069 0.000 1.122 692 G CA 0.705 45.875 45.100 0.117 0.000 0.769 692 G HN 0.642 nan 8.290 nan 0.000 0.549 693 A N -0.782 122.072 122.820 0.056 0.000 2.610 693 A HA 0.485 4.802 4.320 -0.004 0.000 0.291 693 A C 1.569 179.144 177.584 -0.015 0.000 1.116 693 A CA 0.375 52.406 52.037 -0.010 0.000 0.963 693 A CB 0.188 19.134 19.000 -0.090 0.000 1.220 693 A HN 0.177 nan 8.150 nan 0.000 0.530 694 Q N 0.012 119.814 119.800 0.003 0.000 2.133 694 Q HA -0.168 4.170 4.340 -0.004 0.000 0.208 694 Q C 1.778 177.749 176.000 -0.048 0.000 0.991 694 Q CA 2.583 58.372 55.803 -0.024 0.000 0.867 694 Q CB -0.547 28.182 28.738 -0.015 0.000 0.911 694 Q HN 0.413 nan 8.270 nan 0.000 0.417 695 V N -0.794 119.096 119.914 -0.040 0.000 2.332 695 V HA -0.256 3.862 4.120 -0.004 0.000 0.248 695 V C 2.212 178.284 176.094 -0.035 0.000 1.055 695 V CA 1.647 63.890 62.300 -0.095 0.000 1.038 695 V CB -0.599 31.185 31.823 -0.066 0.000 0.651 695 V HN 0.237 nan 8.190 nan 0.000 0.450 696 V N -0.174 119.737 119.914 -0.004 0.000 2.295 696 V HA -0.251 3.867 4.120 -0.004 0.000 0.246 696 V C 2.175 178.258 176.094 -0.018 0.000 1.049 696 V CA 2.169 64.472 62.300 0.005 0.000 1.024 696 V CB -0.540 31.194 31.823 -0.148 0.000 0.648 696 V HN 0.439 nan 8.190 nan 0.000 0.447 697 I N 0.268 120.814 120.570 -0.040 0.000 2.286 697 I HA -0.228 3.940 4.170 -0.004 0.000 0.248 697 I C 2.167 178.246 176.117 -0.063 0.000 1.115 697 I CA 1.616 62.903 61.300 -0.022 0.000 1.392 697 I CB -0.375 37.618 38.000 -0.011 0.000 1.065 697 I HN 0.334 nan 8.210 nan 0.000 0.418 698 D N -0.065 120.276 120.400 -0.098 0.000 2.149 698 D HA -0.120 4.518 4.640 -0.004 0.000 0.206 698 D C 2.169 178.354 176.300 -0.191 0.000 0.967 698 D CA 1.016 54.934 54.000 -0.137 0.000 0.848 698 D CB -0.135 40.582 40.800 -0.138 0.000 0.998 698 D HN 0.183 nan 8.370 nan 0.000 0.474 699 Q N -1.341 118.322 119.800 -0.230 0.000 2.408 699 Q HA 0.210 4.548 4.340 -0.004 0.000 0.205 699 Q C 0.803 176.465 176.000 -0.563 0.000 0.919 699 Q CA 0.420 55.984 55.803 -0.400 0.000 0.932 699 Q CB 0.335 28.762 28.738 -0.519 0.000 1.058 699 Q HN 0.248 nan 8.270 nan 0.000 0.517 700 F N -2.087 117.674 119.950 -0.316 0.000 2.282 700 F HA 0.235 4.760 4.527 -0.004 0.000 0.255 700 F C 1.541 177.077 175.800 -0.440 0.000 0.959 700 F CA -0.277 57.458 58.000 -0.441 0.000 1.170 700 F CB -0.115 38.384 39.000 -0.835 0.000 1.376 700 F HN -0.149 nan 8.300 nan 0.000 0.709 701 I N 0.503 120.961 120.570 -0.186 0.000 2.163 701 I HA -0.302 3.866 4.170 -0.004 0.000 0.243 701 I C 2.223 178.357 176.117 0.028 0.000 1.085 701 I CA 2.090 63.382 61.300 -0.013 0.000 1.347 701 I CB -0.532 37.496 38.000 0.046 0.000 1.044 701 I HN 0.256 nan 8.210 nan 0.000 0.408 702 S N -1.220 114.459 115.700 -0.034 0.000 2.524 702 S HA 0.033 4.501 4.470 -0.004 0.000 0.216 702 S C 1.544 176.090 174.600 -0.090 0.000 0.987 702 S CA 0.429 58.612 58.200 -0.028 0.000 0.909 702 S CB 0.104 63.282 63.200 -0.037 0.000 0.781 702 S HN 0.499 nan 8.310 nan 0.000 0.521 703 S N -0.629 114.966 115.700 -0.176 0.000 2.679 703 S HA 0.380 4.848 4.470 -0.004 0.000 0.258 703 S C 1.798 176.142 174.600 -0.426 0.000 1.068 703 S CA 0.303 58.338 58.200 -0.275 0.000 1.115 703 S CB -0.451 62.557 63.200 -0.320 0.000 1.078 703 S HN 0.455 nan 8.310 nan 0.000 0.603 704 G N 2.129 110.700 108.800 -0.382 0.000 2.432 704 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.219 704 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.219 704 G C 1.214 175.960 174.900 -0.257 0.000 1.135 704 G CA 1.000 45.836 45.100 -0.440 0.000 0.767 704 G HN 0.641 nan 8.290 nan 0.000 0.550 705 E N -0.414 119.702 120.200 -0.141 0.000 2.110 705 E HA -0.163 4.185 4.350 -0.004 0.000 0.193 705 E C 2.401 178.914 176.600 -0.146 0.000 0.988 705 E CA 0.941 57.278 56.400 -0.105 0.000 0.804 705 E CB -0.000 29.675 29.700 -0.041 0.000 0.745 705 E HN 0.346 nan 8.360 nan 0.000 0.458 706 Q N 0.067 119.749 119.800 -0.196 0.000 2.204 706 Q HA -0.008 4.330 4.340 -0.004 0.000 0.198 706 Q C 1.943 177.804 176.000 -0.231 0.000 0.946 706 Q CA 0.768 56.469 55.803 -0.171 0.000 0.859 706 Q CB 0.103 28.751 28.738 -0.150 0.000 0.946 706 Q HN 0.162 nan 8.270 nan 0.000 0.474 707 K N -0.810 119.339 120.400 -0.419 0.000 2.057 707 K HA -0.099 4.219 4.320 -0.004 0.000 0.206 707 K C 1.228 177.633 176.600 -0.325 0.000 1.050 707 K CA 1.148 57.107 56.287 -0.547 0.000 0.935 707 K CB 0.230 32.038 32.500 -1.153 0.000 0.715 707 K HN 0.217 nan 8.250 nan 0.000 0.439 708 W N -1.333 119.815 121.300 -0.252 0.000 2.555 708 W HA 0.362 5.019 4.660 -0.004 0.000 0.324 708 W C 0.633 176.831 176.519 -0.534 0.000 0.973 708 W CA 0.261 57.280 57.345 -0.544 0.000 1.481 708 W CB -0.049 28.823 29.460 -0.981 0.000 1.064 708 W HN 0.261 nan 8.180 nan 0.000 0.543 709 G N 1.912 110.636 108.800 -0.128 0.000 2.143 709 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.248 709 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.248 709 G C 0.273 175.075 174.900 -0.164 0.000 0.991 709 G CA -0.206 44.823 45.100 -0.117 0.000 0.689 709 G HN -0.008 nan 8.290 nan 0.000 0.522 710 R N 0.227 120.632 120.500 -0.159 0.000 2.198 710 R HA 0.460 4.798 4.340 -0.004 0.000 0.339 710 R C 0.752 176.930 176.300 -0.204 0.000 1.020 710 R CA -0.448 55.529 56.100 -0.204 0.000 0.864 710 R CB 0.612 30.895 30.300 -0.029 0.000 1.105 710 R HN 0.234 nan 8.270 nan 0.000 0.463 711 M N 1.179 120.522 119.600 -0.428 0.000 2.227 711 M HA 0.266 4.744 4.480 -0.004 0.000 0.316 711 M C 0.456 176.559 176.300 -0.327 0.000 1.144 711 M CA -0.738 54.364 55.300 -0.330 0.000 1.121 711 M CB 0.636 33.056 32.600 -0.301 0.000 1.440 711 M HN 0.601 nan 8.290 nan 0.000 0.473 712 C N 0.158 119.462 119.300 0.005 0.000 3.050 712 C HA 0.600 5.058 4.460 -0.004 0.000 0.416 712 C C 0.668 175.770 174.990 0.187 0.000 0.994 712 C CA -0.464 58.624 59.018 0.117 0.000 1.222 712 C CB 0.671 28.485 27.740 0.124 0.000 1.612 712 C HN 1.049 nan 8.230 nan 0.000 0.550 713 G N 4.016 112.937 108.800 0.202 0.000 3.523 713 G HA2 0.354 4.312 3.960 -0.004 0.000 0.270 713 G HA3 0.354 4.312 3.960 -0.004 0.000 0.270 713 G C 0.242 175.219 174.900 0.127 0.000 1.134 713 G CA -0.050 45.134 45.100 0.141 0.000 0.825 713 G HN 0.924 nan 8.290 nan 0.000 0.534 714 L N 1.365 122.683 121.223 0.158 0.000 2.593 714 L HA 0.218 4.556 4.340 -0.004 0.000 0.287 714 L C -0.102 176.867 176.870 0.165 0.000 1.243 714 L CA 0.409 55.355 54.840 0.177 0.000 0.890 714 L CB 0.816 43.009 42.059 0.223 0.000 1.134 714 L HN -0.086 nan 8.230 nan 0.000 0.502 715 V N 7.234 127.248 119.914 0.166 0.000 2.435 715 V HA 0.408 4.526 4.120 -0.004 0.000 0.290 715 V C 0.214 176.434 176.094 0.211 0.000 1.030 715 V CA -0.454 61.937 62.300 0.151 0.000 0.881 715 V CB 1.509 33.406 31.823 0.124 0.000 0.983 715 V HN 0.788 nan 8.190 nan 0.000 0.445 716 M N 5.922 125.639 119.600 0.195 0.000 2.072 716 M HA 0.489 4.967 4.480 -0.004 0.000 0.331 716 M C -0.931 175.450 176.300 0.135 0.000 1.004 716 M CA -0.247 55.213 55.300 0.266 0.000 0.952 716 M CB 1.288 34.065 32.600 0.296 0.000 1.511 716 M HN 0.415 nan 8.290 nan 0.000 0.422 717 L N 5.784 127.059 121.223 0.086 0.000 2.283 717 L HA 0.389 4.727 4.340 -0.004 0.000 0.287 717 L C -0.840 176.007 176.870 -0.038 0.000 1.073 717 L CA -0.205 54.649 54.840 0.023 0.000 0.822 717 L CB 0.038 42.115 42.059 0.030 0.000 1.186 717 L HN 0.623 nan 8.230 nan 0.000 0.436 718 L N 6.034 127.257 121.223 -0.000 0.000 2.324 718 L HA 0.435 4.773 4.340 -0.004 0.000 0.274 718 L C -2.317 174.582 176.870 0.048 0.000 1.012 718 L CA -2.015 52.841 54.840 0.026 0.000 0.859 718 L CB 1.289 43.372 42.059 0.040 0.000 1.224 718 L HN 0.298 nan 8.230 nan 0.000 0.429 719 P HA 0.079 nan 4.420 nan 0.000 0.265 719 P C -1.101 176.276 177.300 0.128 0.000 1.193 719 P CA 0.282 63.380 63.100 -0.003 0.000 0.765 719 P CB 0.429 32.102 31.700 -0.044 0.000 0.823 720 H N 0.955 120.001 119.070 -0.040 0.000 3.123 720 H HA 0.639 5.193 4.556 -0.004 0.000 0.346 720 H C -0.981 174.359 175.328 0.021 0.000 1.138 720 H CA -0.333 55.735 56.048 0.033 0.000 1.273 720 H CB 1.259 31.064 29.762 0.072 0.000 1.926 720 H HN 0.662 nan 8.280 nan 0.000 0.524 721 G N 2.670 111.205 108.800 -0.442 0.000 2.226 721 G HA2 0.129 4.086 3.960 -0.004 0.000 0.257 721 G HA3 0.129 4.086 3.960 -0.004 0.000 0.257 721 G C -2.171 172.647 174.900 -0.136 0.000 1.732 721 G CA -1.057 43.924 45.100 -0.199 0.000 0.914 721 G HN 0.379 nan 8.290 nan 0.000 0.742 722 Y N 1.294 121.517 120.300 -0.129 0.000 2.504 722 Y HA 0.450 4.998 4.550 -0.003 0.000 0.351 722 Y C 1.417 177.317 175.900 0.000 0.000 0.988 722 Y CA -0.052 58.024 58.100 -0.040 0.000 1.239 722 Y CB 1.320 39.834 38.460 0.091 0.000 1.128 722 Y HN 0.663 nan 8.280 nan 0.000 0.525 723 E N 1.558 121.608 120.200 -0.250 0.000 2.743 723 E HA 0.216 4.564 4.350 -0.004 0.000 0.222 723 E C 1.157 177.400 176.600 -0.595 0.000 0.959 723 E CA 0.309 56.562 56.400 -0.245 0.000 1.198 723 E CB 0.922 30.564 29.700 -0.098 0.000 1.100 723 E HN 0.889 nan 8.360 nan 0.000 0.518 724 G N 1.984 110.129 108.800 -1.092 0.000 2.141 724 G HA2 -0.341 3.617 3.960 -0.004 0.000 0.242 724 G HA3 -0.341 3.617 3.960 -0.004 0.000 0.242 724 G C 0.656 175.393 174.900 -0.272 0.000 0.982 724 G CA 0.309 45.002 45.100 -0.678 0.000 0.662 724 G HN 0.260 nan 8.290 nan 0.000 0.527 725 Q N -0.314 119.339 119.800 -0.246 0.000 2.246 725 Q HA 0.479 4.817 4.340 -0.004 0.000 0.202 725 Q C 1.385 177.302 176.000 -0.139 0.000 0.883 725 Q CA 1.026 56.734 55.803 -0.158 0.000 0.952 725 Q CB 0.382 29.044 28.738 -0.127 0.000 1.078 725 Q HN 1.775 nan 8.270 nan 0.000 0.493 726 G N 0.358 109.060 108.800 -0.162 0.000 2.655 726 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.680 726 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.680 726 G C -2.301 172.511 174.900 -0.147 0.000 1.302 726 G CA -0.554 44.471 45.100 -0.124 0.000 0.872 726 G HN -0.003 nan 8.290 nan 0.000 0.540 727 P HA -0.070 nan 4.420 nan 0.000 0.217 727 P C 0.908 178.089 177.300 -0.199 0.000 1.148 727 P CA 1.889 64.912 63.100 -0.128 0.000 0.828 727 P CB 0.068 31.722 31.700 -0.076 0.000 0.783 728 E N -1.949 118.102 120.200 -0.248 0.000 2.499 728 E HA 0.065 4.413 4.350 -0.004 0.000 0.199 728 E C 0.393 176.369 176.600 -1.039 0.000 1.016 728 E CA 0.039 56.096 56.400 -0.572 0.000 0.933 728 E CB -0.122 29.222 29.700 -0.593 0.000 1.050 728 E HN 0.450 nan 8.360 nan 0.000 0.462 729 H N -1.598 117.196 119.070 -0.459 0.000 2.885 729 H HA 0.364 4.918 4.556 -0.004 0.000 0.237 729 H C 0.166 175.323 175.328 -0.285 0.000 1.229 729 H CA 0.061 55.791 56.048 -0.530 0.000 0.947 729 H CB 0.938 30.302 29.762 -0.663 0.000 2.223 729 H HN -0.014 nan 8.280 nan 0.000 0.628 730 S N -0.540 114.988 115.700 -0.286 0.000 2.918 730 S HA 0.038 4.506 4.470 -0.004 0.000 0.264 730 S C 0.601 174.881 174.600 -0.532 0.000 1.078 730 S CA -0.107 57.779 58.200 -0.524 0.000 0.918 730 S CB 1.396 64.079 63.200 -0.862 0.000 0.882 730 S HN 0.158 nan 8.310 nan 0.000 0.466 731 S N 1.028 116.578 115.700 -0.250 0.000 2.605 731 S HA 0.676 5.144 4.470 -0.004 0.000 0.308 731 S C 0.339 175.116 174.600 0.295 0.000 1.113 731 S CA -0.324 57.932 58.200 0.094 0.000 1.049 731 S CB 1.421 64.721 63.200 0.167 0.000 1.001 731 S HN 0.359 nan 8.310 nan 0.000 0.480 732 A N 4.360 127.595 122.820 0.692 0.000 2.239 732 A HA 0.207 4.525 4.320 -0.004 0.000 0.209 732 A C 0.893 178.671 177.584 0.324 0.000 1.171 732 A CA 0.299 52.556 52.037 0.365 0.000 0.768 732 A CB -0.552 18.576 19.000 0.212 0.000 0.790 732 A HN 1.064 nan 8.150 nan 0.000 0.478 733 R N -2.242 118.447 120.500 0.314 0.000 3.336 733 R HA -0.208 4.129 4.340 -0.004 0.000 0.260 733 R C 0.638 177.107 176.300 0.283 0.000 1.032 733 R CA 0.543 56.797 56.100 0.256 0.000 0.693 733 R CB -2.689 27.707 30.300 0.160 0.000 1.134 733 R HN 0.447 nan 8.270 nan 0.000 0.433 734 L N 2.280 123.629 121.223 0.210 0.000 2.054 734 L HA -0.311 4.027 4.340 -0.004 0.000 0.220 734 L C 2.684 179.695 176.870 0.234 0.000 1.081 734 L CA 2.699 57.644 54.840 0.174 0.000 0.780 734 L CB -0.346 41.750 42.059 0.062 0.000 0.893 734 L HN 0.546 nan 8.230 nan 0.000 0.438 735 E N -0.248 120.070 120.200 0.196 0.000 2.204 735 E HA -0.297 4.051 4.350 -0.004 0.000 0.194 735 E C 2.288 178.943 176.600 0.092 0.000 0.989 735 E CA 1.466 57.956 56.400 0.151 0.000 0.824 735 E CB -0.662 29.131 29.700 0.155 0.000 0.756 735 E HN 0.677 nan 8.360 nan 0.000 0.477 736 R N -0.181 120.354 120.500 0.058 0.000 2.092 736 R HA -0.107 4.231 4.340 -0.004 0.000 0.231 736 R C 2.042 178.246 176.300 -0.160 0.000 1.119 736 R CA 1.215 57.264 56.100 -0.085 0.000 0.970 736 R CB -0.264 29.927 30.300 -0.182 0.000 0.864 736 R HN 0.174 nan 8.270 nan 0.000 0.440 737 Y N 0.372 120.681 120.300 0.014 0.000 2.242 737 Y HA -0.141 4.407 4.550 -0.004 0.000 0.291 737 Y C 2.055 177.929 175.900 -0.043 0.000 1.137 737 Y CA 1.005 59.102 58.100 -0.004 0.000 1.181 737 Y CB -0.128 38.343 38.460 0.019 0.000 0.989 737 Y HN 0.030 nan 8.280 nan 0.000 0.527 738 L N 0.119 121.412 121.223 0.117 0.000 2.056 738 L HA -0.236 4.101 4.340 -0.004 0.000 0.207 738 L C 2.716 179.544 176.870 -0.070 0.000 1.078 738 L CA 1.713 56.563 54.840 0.017 0.000 0.749 738 L CB -0.637 41.456 42.059 0.056 0.000 0.901 738 L HN 0.329 nan 8.230 nan 0.000 0.433 739 Q N 0.532 120.304 119.800 -0.047 0.000 2.226 739 Q HA -0.198 4.140 4.340 -0.004 0.000 0.204 739 Q C 2.021 177.954 176.000 -0.110 0.000 0.975 739 Q CA 1.451 57.207 55.803 -0.078 0.000 0.866 739 Q CB -0.177 28.528 28.738 -0.056 0.000 0.915 739 Q HN 0.551 nan 8.270 nan 0.000 0.440 740 L N 0.638 121.795 121.223 -0.109 0.000 2.478 740 L HA 0.057 4.395 4.340 -0.004 0.000 0.223 740 L C 0.757 177.534 176.870 -0.155 0.000 1.140 740 L CA -0.471 54.299 54.840 -0.116 0.000 0.842 740 L CB 0.095 42.097 42.059 -0.096 0.000 0.953 740 L HN 0.257 nan 8.230 nan 0.000 0.452 741 C N 1.165 120.312 119.300 -0.255 0.000 2.593 741 C HA 0.679 5.137 4.460 -0.004 0.000 0.409 741 C C 0.701 175.419 174.990 -0.453 0.000 1.304 741 C CA -0.523 58.181 59.018 -0.523 0.000 2.007 741 C CB -0.200 26.867 27.740 -1.123 0.000 2.614 741 C HN 0.491 nan 8.230 nan 0.000 0.585 742 A N 2.461 125.127 122.820 -0.256 0.000 2.571 742 A HA 0.604 4.922 4.320 -0.004 0.000 0.296 742 A C -0.081 177.581 177.584 0.130 0.000 1.005 742 A CA -0.475 51.555 52.037 -0.011 0.000 0.682 742 A CB 0.165 19.135 19.000 -0.050 0.000 1.292 742 A HN 0.872 nan 8.150 nan 0.000 0.420 743 E N 1.224 121.534 120.200 0.183 0.000 2.722 743 E HA -0.269 4.079 4.350 -0.004 0.000 0.265 743 E C -0.310 176.400 176.600 0.184 0.000 1.081 743 E CA 0.775 57.261 56.400 0.144 0.000 0.781 743 E CB -1.070 28.669 29.700 0.065 0.000 1.372 743 E HN 0.895 nan 8.360 nan 0.000 0.423 744 Q N -2.121 117.868 119.800 0.315 0.000 2.506 744 Q HA -0.234 4.104 4.340 -0.004 0.000 0.268 744 Q C 0.977 177.129 176.000 0.253 0.000 1.002 744 Q CA 1.422 57.379 55.803 0.257 0.000 1.052 744 Q CB -2.091 26.745 28.738 0.163 0.000 1.383 744 Q HN 0.747 nan 8.270 nan 0.000 0.537 745 N N -0.378 118.480 118.700 0.263 0.000 2.216 745 N HA -0.074 4.663 4.740 -0.004 0.000 0.183 745 N C 0.784 176.391 175.510 0.161 0.000 1.017 745 N CA 1.027 54.166 53.050 0.149 0.000 0.861 745 N CB 0.186 38.711 38.487 0.063 0.000 0.986 745 N HN 0.412 nan 8.380 nan 0.000 0.428 746 M N -0.444 119.294 119.600 0.230 0.000 2.667 746 M HA 0.297 4.774 4.480 -0.004 0.000 0.286 746 M C -1.387 175.059 176.300 0.244 0.000 1.270 746 M CA -0.713 54.703 55.300 0.193 0.000 0.826 746 M CB 2.962 35.651 32.600 0.147 0.000 1.743 746 M HN -0.104 nan 8.290 nan 0.000 0.460 747 Q N 0.921 120.807 119.800 0.144 0.000 2.337 747 Q HA 0.675 5.013 4.340 -0.004 0.000 0.266 747 Q C -1.409 174.640 176.000 0.082 0.000 1.023 747 Q CA -0.910 54.943 55.803 0.084 0.000 0.829 747 Q CB 2.704 31.434 28.738 -0.013 0.000 1.306 747 Q HN 0.383 nan 8.270 nan 0.000 0.449 748 V N 2.175 122.148 119.914 0.099 0.000 2.378 748 V HA 0.389 4.506 4.120 -0.004 0.000 0.288 748 V C -0.660 175.475 176.094 0.070 0.000 1.016 748 V CA -0.600 61.745 62.300 0.075 0.000 0.840 748 V CB 1.284 33.178 31.823 0.118 0.000 0.994 748 V HN 0.927 nan 8.190 nan 0.000 0.431 749 C N 4.335 123.671 119.300 0.060 0.000 2.561 749 C HA 0.738 5.196 4.460 -0.004 0.000 0.319 749 C C 0.179 175.257 174.990 0.146 0.000 1.198 749 C CA -0.655 58.436 59.018 0.122 0.000 1.665 749 C CB 1.880 29.689 27.740 0.114 0.000 2.258 749 C HN 0.624 nan 8.230 nan 0.000 0.493 750 V N 4.098 124.130 119.914 0.196 0.000 2.315 750 V HA 0.277 4.395 4.120 -0.004 0.000 0.265 750 V C -2.249 173.992 176.094 0.246 0.000 1.019 750 V CA -1.053 61.370 62.300 0.205 0.000 0.824 750 V CB 0.654 32.596 31.823 0.198 0.000 1.072 750 V HN 0.749 nan 8.190 nan 0.000 0.448 751 P HA 0.178 nan 4.420 nan 0.000 0.276 751 P C 0.684 178.251 177.300 0.446 0.000 1.230 751 P CA 0.063 63.379 63.100 0.360 0.000 0.776 751 P CB 1.650 33.597 31.700 0.412 0.000 0.888 752 S N 0.775 116.663 115.700 0.312 0.000 2.524 752 S HA 0.162 4.630 4.470 -0.004 0.000 0.215 752 S C 0.497 175.402 174.600 0.509 0.000 0.986 752 S CA 0.117 58.548 58.200 0.385 0.000 0.911 752 S CB -0.209 63.057 63.200 0.110 0.000 0.805 752 S HN 0.451 nan 8.310 nan 0.000 0.501 753 T N 2.515 117.208 114.554 0.233 0.000 2.896 753 T HA 0.480 4.828 4.350 -0.004 0.000 0.297 753 T C -2.498 171.876 174.700 -0.543 0.000 1.108 753 T CA -1.402 60.718 62.100 0.034 0.000 1.004 753 T CB 1.956 70.840 68.868 0.027 0.000 1.159 753 T HN -0.270 nan 8.240 nan 0.000 0.499 754 P HA -0.122 nan 4.420 nan 0.000 0.216 754 P C 1.397 178.432 177.300 -0.443 0.000 1.153 754 P CA 1.269 63.996 63.100 -0.621 0.000 0.858 754 P CB 0.021 31.596 31.700 -0.208 0.000 0.789 755 A N -0.468 122.192 122.820 -0.266 0.000 1.877 755 A HA -0.259 4.059 4.320 -0.004 0.000 0.216 755 A C 2.287 179.830 177.584 -0.068 0.000 1.186 755 A CA 1.540 53.443 52.037 -0.223 0.000 0.620 755 A CB -1.340 17.611 19.000 -0.083 0.000 0.822 755 A HN 0.114 nan 8.150 nan 0.000 0.443 756 Q N -0.565 119.219 119.800 -0.026 0.000 2.061 756 Q HA -0.152 4.186 4.340 -0.004 0.000 0.204 756 Q C 2.292 178.379 176.000 0.145 0.000 0.984 756 Q CA 1.665 57.541 55.803 0.122 0.000 0.846 756 Q CB -1.158 27.615 28.738 0.059 0.000 0.902 756 Q HN 0.485 nan 8.270 nan 0.000 0.421 757 V N 0.564 120.381 119.914 -0.162 0.000 2.407 757 V HA -0.274 3.844 4.120 -0.004 0.000 0.248 757 V C 2.163 178.194 176.094 -0.105 0.000 1.055 757 V CA 2.058 64.264 62.300 -0.156 0.000 1.049 757 V CB -0.514 31.013 31.823 -0.493 0.000 0.662 757 V HN 0.462 nan 8.190 nan 0.000 0.455 758 Y N -0.061 120.053 120.300 -0.310 0.000 2.184 758 Y HA -0.200 4.348 4.550 -0.004 0.000 0.290 758 Y C 2.585 178.359 175.900 -0.210 0.000 1.129 758 Y CA 2.211 60.106 58.100 -0.342 0.000 1.144 758 Y CB -0.371 37.787 38.460 -0.503 0.000 0.995 758 Y HN 0.443 nan 8.280 nan 0.000 0.513 759 H N -0.085 119.079 119.070 0.156 0.000 2.395 759 H HA -0.152 4.402 4.556 -0.004 0.000 0.299 759 H C 2.328 177.692 175.328 0.060 0.000 1.070 759 H CA 1.661 57.801 56.048 0.152 0.000 1.356 759 H CB -0.505 29.478 29.762 0.369 0.000 1.401 759 H HN 0.487 nan 8.280 nan 0.000 0.524 760 M N 0.410 120.125 119.600 0.191 0.000 2.080 760 M HA -0.164 4.314 4.480 -0.004 0.000 0.260 760 M C 1.825 177.999 176.300 -0.210 0.000 1.068 760 M CA 1.571 56.748 55.300 -0.204 0.000 1.109 760 M CB -0.078 32.439 32.600 -0.139 0.000 1.342 760 M HN 0.137 nan 8.290 nan 0.000 0.405 761 L N -0.546 120.595 121.223 -0.137 0.000 2.072 761 L HA -0.146 4.191 4.340 -0.004 0.000 0.205 761 L C 2.600 179.385 176.870 -0.143 0.000 1.079 761 L CA 1.150 55.925 54.840 -0.109 0.000 0.752 761 L CB -0.547 41.466 42.059 -0.077 0.000 0.906 761 L HN 0.272 nan 8.230 nan 0.000 0.436 762 R N -0.361 120.012 120.500 -0.212 0.000 2.081 762 R HA -0.182 4.156 4.340 -0.004 0.000 0.235 762 R C 2.411 178.577 176.300 -0.224 0.000 1.131 762 R CA 1.402 57.391 56.100 -0.185 0.000 0.960 762 R CB -0.363 29.802 30.300 -0.224 0.000 0.856 762 R HN 0.248 nan 8.270 nan 0.000 0.436 763 R N 0.913 121.203 120.500 -0.351 0.000 2.096 763 R HA -0.268 4.070 4.340 -0.004 0.000 0.240 763 R C 2.311 178.336 176.300 -0.458 0.000 1.139 763 R CA 2.139 57.772 56.100 -0.777 0.000 0.952 763 R CB -0.169 29.734 30.300 -0.662 0.000 0.854 763 R HN 0.099 nan 8.270 nan 0.000 0.436 764 Q N 0.019 119.654 119.800 -0.276 0.000 2.112 764 Q HA -0.153 4.185 4.340 -0.004 0.000 0.206 764 Q C 1.760 177.692 176.000 -0.112 0.000 0.987 764 Q CA 2.410 58.118 55.803 -0.157 0.000 0.858 764 Q CB -0.258 28.424 28.738 -0.094 0.000 0.905 764 Q HN 0.488 nan 8.270 nan 0.000 0.420 765 A N -0.628 122.129 122.820 -0.104 0.000 1.930 765 A HA 0.034 4.352 4.320 -0.004 0.000 0.215 765 A C 1.868 179.425 177.584 -0.046 0.000 1.176 765 A CA 0.902 52.907 52.037 -0.054 0.000 0.632 765 A CB -0.267 18.720 19.000 -0.022 0.000 0.819 765 A HN 0.421 nan 8.150 nan 0.000 0.445 766 L N -0.864 120.305 121.223 -0.089 0.000 2.567 766 L HA 0.124 4.461 4.340 -0.004 0.000 0.225 766 L C 1.918 178.779 176.870 -0.015 0.000 1.119 766 L CA 0.238 55.070 54.840 -0.013 0.000 0.871 766 L CB 0.121 42.228 42.059 0.080 0.000 1.036 766 L HN 0.388 nan 8.230 nan 0.000 0.459 767 R N 0.077 120.517 120.500 -0.099 0.000 2.748 767 R HA 0.231 4.569 4.340 -0.004 0.000 0.395 767 R C 0.647 176.884 176.300 -0.105 0.000 1.128 767 R CA 0.654 56.699 56.100 -0.092 0.000 1.042 767 R CB 0.186 30.352 30.300 -0.224 0.000 1.392 767 R HN 0.209 nan 8.270 nan 0.000 0.582 768 G N 1.849 110.581 108.800 -0.112 0.000 5.155 768 G HA2 -0.406 3.552 3.960 -0.004 0.000 0.239 768 G HA3 -0.406 3.552 3.960 -0.004 0.000 0.239 768 G C 0.331 175.063 174.900 -0.280 0.000 1.409 768 G CA 0.339 45.193 45.100 -0.410 0.000 0.927 768 G HN 0.479 nan 8.290 nan 0.000 0.710 769 M N 1.642 121.160 119.600 -0.137 0.000 2.234 769 M HA 0.317 4.795 4.480 -0.004 0.000 0.326 769 M C 0.139 176.540 176.300 0.168 0.000 1.077 769 M CA 0.799 56.183 55.300 0.140 0.000 1.052 769 M CB 0.219 32.917 32.600 0.163 0.000 1.607 769 M HN 0.384 nan 8.290 nan 0.000 0.445 770 R N 5.118 125.764 120.500 0.244 0.000 2.576 770 R HA 0.449 4.786 4.340 -0.004 0.000 0.283 770 R C -1.422 175.000 176.300 0.203 0.000 1.493 770 R CA -0.294 55.947 56.100 0.236 0.000 1.170 770 R CB 1.009 31.553 30.300 0.407 0.000 1.189 770 R HN 0.790 nan 8.270 nan 0.000 0.542 771 R N 1.476 122.069 120.500 0.155 0.000 2.698 771 R HA 0.438 4.776 4.340 -0.004 0.000 0.275 771 R C -2.735 173.642 176.300 0.129 0.000 1.001 771 R CA -2.186 54.000 56.100 0.142 0.000 0.896 771 R CB 2.657 33.042 30.300 0.141 0.000 1.218 771 R HN 0.102 nan 8.270 nan 0.000 0.462 772 P HA -0.061 nan 4.420 nan 0.000 0.264 772 P C -1.027 176.336 177.300 0.106 0.000 1.183 772 P CA -0.131 63.053 63.100 0.141 0.000 0.763 772 P CB 0.465 32.261 31.700 0.161 0.000 0.807 773 L N 5.739 127.014 121.223 0.088 0.000 2.295 773 L HA 0.311 4.648 4.340 -0.004 0.000 0.281 773 L C -1.022 175.873 176.870 0.042 0.000 1.018 773 L CA -0.422 54.446 54.840 0.046 0.000 0.841 773 L CB 0.858 42.928 42.059 0.018 0.000 1.218 773 L HN 0.006 nan 8.230 nan 0.000 0.424 774 V N 6.140 126.057 119.914 0.005 0.000 2.408 774 V HA 0.378 4.496 4.120 -0.004 0.000 0.267 774 V C -0.025 176.021 176.094 -0.080 0.000 1.047 774 V CA -0.483 61.763 62.300 -0.090 0.000 0.937 774 V CB 1.234 32.916 31.823 -0.235 0.000 0.999 774 V HN 0.499 nan 8.190 nan 0.000 0.472 775 V N 6.247 126.130 119.914 -0.052 0.000 2.357 775 V HA 0.370 4.488 4.120 -0.004 0.000 0.284 775 V C 0.265 176.351 176.094 -0.013 0.000 1.018 775 V CA -0.736 61.567 62.300 0.006 0.000 0.841 775 V CB 1.697 33.561 31.823 0.069 0.000 0.991 775 V HN 0.747 nan 8.190 nan 0.000 0.437 776 M N 3.551 123.148 119.600 -0.005 0.000 2.538 776 M HA 0.182 4.660 4.480 -0.004 0.000 0.327 776 M C 0.477 176.827 176.300 0.084 0.000 1.545 776 M CA 0.792 56.099 55.300 0.013 0.000 1.380 776 M CB -0.106 32.493 32.600 -0.003 0.000 1.657 776 M HN 0.622 nan 8.290 nan 0.000 0.459 777 S N 5.621 121.350 115.700 0.048 0.000 2.586 777 S HA 0.634 5.102 4.470 -0.004 0.000 0.274 777 S C -2.172 172.325 174.600 -0.172 0.000 1.281 777 S CA -1.203 56.986 58.200 -0.019 0.000 1.035 777 S CB 1.128 64.313 63.200 -0.025 0.000 0.962 777 S HN 0.411 nan 8.310 nan 0.000 0.512 778 P HA 0.439 nan 4.420 nan 0.000 0.282 778 P C -0.590 176.298 177.300 -0.687 0.000 1.259 778 P CA -0.523 62.254 63.100 -0.538 0.000 0.826 778 P CB 1.412 32.579 31.700 -0.888 0.000 1.064 779 K N 0.313 120.330 120.400 -0.638 0.000 2.313 779 K HA 0.046 4.364 4.320 -0.004 0.000 0.215 779 K C 2.164 178.443 176.600 -0.534 0.000 1.109 779 K CA 0.960 56.712 56.287 -0.892 0.000 0.895 779 K CB -0.547 31.373 32.500 -0.966 0.000 1.234 779 K HN 0.457 nan 8.250 nan 0.000 0.463 780 S N 1.829 117.337 115.700 -0.321 0.000 2.436 780 S HA 0.008 4.475 4.470 -0.004 0.000 0.228 780 S C 2.061 176.579 174.600 -0.135 0.000 1.014 780 S CA 0.523 58.625 58.200 -0.164 0.000 0.950 780 S CB -0.470 62.687 63.200 -0.071 0.000 0.784 780 S HN 0.132 nan 8.310 nan 0.000 0.504 781 L N 0.980 122.076 121.223 -0.212 0.000 2.261 781 L HA -0.014 4.324 4.340 -0.004 0.000 0.216 781 L C 2.215 178.972 176.870 -0.189 0.000 1.114 781 L CA 0.867 55.583 54.840 -0.207 0.000 0.777 781 L CB -0.707 41.161 42.059 -0.318 0.000 0.910 781 L HN 0.365 nan 8.230 nan 0.000 0.440 782 L N -0.452 120.583 121.223 -0.314 0.000 2.351 782 L HA -0.216 4.122 4.340 -0.004 0.000 0.220 782 L C 1.527 178.427 176.870 0.050 0.000 1.127 782 L CA 1.294 56.037 54.840 -0.161 0.000 0.786 782 L CB -0.345 41.586 42.059 -0.213 0.000 0.914 782 L HN 0.320 nan 8.230 nan 0.000 0.443 783 R N -2.695 117.820 120.500 0.026 0.000 2.563 783 R HA 0.161 4.498 4.340 -0.004 0.000 0.443 783 R C -0.007 176.309 176.300 0.027 0.000 0.956 783 R CA -0.287 55.843 56.100 0.051 0.000 1.141 783 R CB 0.322 30.645 30.300 0.038 0.000 1.553 783 R HN 0.112 nan 8.270 nan 0.000 0.577 784 H N 2.925 121.947 119.070 -0.081 0.000 2.683 784 H HA 0.140 4.694 4.556 -0.004 0.000 0.339 784 H C -1.595 173.670 175.328 -0.105 0.000 1.081 784 H CA -1.631 54.334 56.048 -0.139 0.000 1.432 784 H CB 1.627 31.212 29.762 -0.294 0.000 1.462 784 H HN -0.068 nan 8.280 nan 0.000 0.557 785 P HA -0.049 nan 4.420 nan 0.000 0.229 785 P C 1.399 178.780 177.300 0.134 0.000 1.160 785 P CA 0.627 63.748 63.100 0.034 0.000 0.777 785 P CB 0.566 32.233 31.700 -0.055 0.000 0.814 786 L N -1.040 120.359 121.223 0.292 0.000 2.446 786 L HA 0.173 4.511 4.340 -0.004 0.000 0.219 786 L C 1.334 178.264 176.870 0.100 0.000 1.116 786 L CA -0.007 54.944 54.840 0.184 0.000 0.844 786 L CB -0.407 41.793 42.059 0.236 0.000 0.970 786 L HN -0.160 nan 8.230 nan 0.000 0.457 787 A N 1.259 124.062 122.820 -0.029 0.000 2.915 787 A HA 0.507 4.825 4.320 -0.004 0.000 0.292 787 A C -0.401 177.285 177.584 0.170 0.000 1.632 787 A CA 0.071 52.137 52.037 0.049 0.000 1.337 787 A CB -0.477 18.507 19.000 -0.027 0.000 1.111 787 A HN 0.052 nan 8.150 nan 0.000 0.569 788 V N 0.734 120.744 119.914 0.160 0.000 3.077 788 V HA 0.608 4.726 4.120 -0.004 0.000 0.299 788 V C -0.373 175.786 176.094 0.109 0.000 1.276 788 V CA -0.628 61.751 62.300 0.132 0.000 0.993 788 V CB 2.448 34.340 31.823 0.114 0.000 1.076 788 V HN 0.643 nan 8.190 nan 0.000 0.434 789 S N 1.304 117.067 115.700 0.106 0.000 2.541 789 S HA 0.741 5.209 4.470 -0.004 0.000 0.271 789 S C -0.447 174.215 174.600 0.104 0.000 1.133 789 S CA -0.603 57.633 58.200 0.060 0.000 0.876 789 S CB 2.093 65.272 63.200 -0.036 0.000 1.105 789 S HN 1.117 nan 8.310 nan 0.000 0.470 790 S N 1.194 116.925 115.700 0.052 0.000 2.687 790 S HA 0.583 5.051 4.470 -0.004 0.000 0.283 790 S C 1.065 175.669 174.600 0.006 0.000 1.170 790 S CA -0.913 57.332 58.200 0.075 0.000 1.008 790 S CB 0.290 63.517 63.200 0.045 0.000 1.026 790 S HN 0.589 nan 8.310 nan 0.000 0.541 791 L N 0.339 121.597 121.223 0.059 0.000 2.079 791 L HA -0.108 4.229 4.340 -0.004 0.000 0.210 791 L C 2.876 179.707 176.870 -0.065 0.000 1.081 791 L CA 1.888 56.714 54.840 -0.024 0.000 0.752 791 L CB -0.581 41.515 42.059 0.061 0.000 0.896 791 L HN 0.874 nan 8.230 nan 0.000 0.433 792 E N 0.680 120.868 120.200 -0.021 0.000 2.072 792 E HA -0.231 4.117 4.350 -0.004 0.000 0.191 792 E C 1.946 178.535 176.600 -0.019 0.000 0.985 792 E CA 1.474 57.865 56.400 -0.014 0.000 0.801 792 E CB -0.023 29.678 29.700 0.001 0.000 0.750 792 E HN 0.420 nan 8.360 nan 0.000 0.452 793 E N -0.035 120.150 120.200 -0.025 0.000 2.110 793 E HA -0.154 4.194 4.350 -0.004 0.000 0.193 793 E C 2.147 178.755 176.600 0.014 0.000 0.988 793 E CA 1.227 57.627 56.400 -0.000 0.000 0.804 793 E CB -0.108 29.585 29.700 -0.012 0.000 0.745 793 E HN 0.329 nan 8.360 nan 0.000 0.458 794 L N 0.225 121.325 121.223 -0.205 0.000 2.007 794 L HA -0.111 4.227 4.340 -0.004 0.000 0.205 794 L C 2.619 179.422 176.870 -0.111 0.000 1.073 794 L CA 1.101 55.656 54.840 -0.474 0.000 0.744 794 L CB -0.549 40.939 42.059 -0.951 0.000 0.898 794 L HN 0.134 nan 8.230 nan 0.000 0.435 795 A N -0.189 122.580 122.820 -0.085 0.000 1.929 795 A HA -0.117 4.201 4.320 -0.004 0.000 0.216 795 A C 1.790 179.413 177.584 0.064 0.000 1.176 795 A CA 1.486 53.530 52.037 0.012 0.000 0.628 795 A CB -0.300 18.693 19.000 -0.012 0.000 0.816 795 A HN 0.448 nan 8.150 nan 0.000 0.444 796 N N -0.502 118.223 118.700 0.041 0.000 2.187 796 N HA 0.145 4.883 4.740 -0.004 0.000 0.212 796 N C 0.721 176.226 175.510 -0.009 0.000 1.152 796 N CA 0.663 53.722 53.050 0.015 0.000 0.872 796 N CB 0.638 39.123 38.487 -0.003 0.000 1.025 796 N HN 0.407 nan 8.380 nan 0.000 0.514 797 G N -0.648 108.171 108.800 0.030 0.000 2.532 797 G HA2 0.468 4.426 3.960 -0.004 0.000 0.291 797 G HA3 0.468 4.426 3.960 -0.004 0.000 0.291 797 G C -0.400 174.209 174.900 -0.484 0.000 1.349 797 G CA 0.054 45.096 45.100 -0.097 0.000 1.038 797 G HN 0.042 nan 8.290 nan 0.000 0.518 798 T N -1.977 112.162 114.554 -0.692 0.000 2.792 798 T HA 0.450 4.798 4.350 -0.004 0.000 0.303 798 T C -1.523 172.972 174.700 -0.342 0.000 1.310 798 T CA -0.651 61.055 62.100 -0.657 0.000 1.007 798 T CB 1.071 69.791 68.868 -0.248 0.000 1.335 798 T HN 0.409 nan 8.240 nan 0.000 0.504 799 F N 2.811 122.735 119.950 -0.044 0.000 2.543 799 F HA 0.536 5.061 4.527 -0.004 0.000 0.375 799 F C -0.537 175.312 175.800 0.081 0.000 1.075 799 F CA -0.109 57.964 58.000 0.120 0.000 1.225 799 F CB 0.293 39.408 39.000 0.191 0.000 1.099 799 F HN 0.328 nan 8.300 nan 0.000 0.561 800 L N 9.549 130.335 121.223 -0.728 0.000 2.277 800 L HA 0.286 4.624 4.340 -0.004 0.000 0.284 800 L C -1.734 174.728 176.870 -0.680 0.000 1.028 800 L CA -1.755 52.791 54.840 -0.491 0.000 0.835 800 L CB 1.183 43.057 42.059 -0.307 0.000 1.215 800 L HN 0.513 nan 8.230 nan 0.000 0.425 801 P HA -0.157 nan 4.420 nan 0.000 0.217 801 P C 0.145 177.336 177.300 -0.182 0.000 1.148 801 P CA 0.996 64.026 63.100 -0.117 0.000 0.828 801 P CB 0.346 32.095 31.700 0.082 0.000 0.783 802 A N -1.365 121.353 122.820 -0.169 0.000 2.498 802 A HA 0.702 5.019 4.320 -0.004 0.000 0.298 802 A C -1.144 176.354 177.584 -0.143 0.000 1.075 802 A CA -0.624 51.329 52.037 -0.141 0.000 0.714 802 A CB 1.134 20.077 19.000 -0.094 0.000 1.299 802 A HN -0.118 nan 8.150 nan 0.000 0.407 803 I N 1.577 122.061 120.570 -0.144 0.000 2.466 803 I HA 0.490 4.658 4.170 -0.004 0.000 0.289 803 I C 0.898 176.955 176.117 -0.099 0.000 1.026 803 I CA -0.647 60.566 61.300 -0.145 0.000 1.078 803 I CB 2.032 39.900 38.000 -0.220 0.000 1.249 803 I HN 0.806 nan 8.210 nan 0.000 0.429 804 G N 3.291 112.068 108.800 -0.038 0.000 0.000 804 G HA2 0.217 4.175 3.960 -0.004 0.000 0.000 804 G HA3 0.217 4.175 3.960 -0.004 0.000 0.000 804 G C -0.243 174.684 174.900 0.045 0.000 0.000 804 G CA -0.268 44.854 45.100 0.037 0.000 0.000 804 G HN 0.651 nan 8.290 nan 0.000 0.000 805 E N -0.659 119.622 120.200 0.135 0.000 2.493 805 E HA -0.006 4.342 4.350 -0.004 0.000 0.255 805 E C 1.416 178.076 176.600 0.099 0.000 0.999 805 E CA 0.129 56.611 56.400 0.137 0.000 0.934 805 E CB 0.303 30.147 29.700 0.240 0.000 0.940 805 E HN 0.393 nan 8.360 nan 0.000 0.473 806 I N 0.096 120.721 120.570 0.092 0.000 3.226 806 I HA 0.244 4.412 4.170 -0.004 0.000 0.277 806 I C -0.085 176.076 176.117 0.074 0.000 1.243 806 I CA -0.073 61.273 61.300 0.077 0.000 1.459 806 I CB 0.189 38.242 38.000 0.089 0.000 1.093 806 I HN 0.175 nan 8.210 nan 0.000 0.453 807 D N 2.644 123.090 120.400 0.076 0.000 2.277 807 D HA 0.339 4.977 4.640 -0.004 0.000 0.250 807 D C 0.149 176.499 176.300 0.084 0.000 1.032 807 D CA 0.055 54.095 54.000 0.067 0.000 0.947 807 D CB 1.245 42.070 40.800 0.042 0.000 1.159 807 D HN 0.296 nan 8.370 nan 0.000 0.460 808 E N 1.530 121.782 120.200 0.087 0.000 2.292 808 E HA 0.392 4.740 4.350 -0.004 0.000 0.265 808 E C -0.404 176.283 176.600 0.145 0.000 1.093 808 E CA 0.030 56.488 56.400 0.097 0.000 0.922 808 E CB -0.547 29.200 29.700 0.077 0.000 1.001 808 E HN 0.354 nan 8.360 nan 0.000 0.444 809 L N 1.938 123.248 121.223 0.146 0.000 2.362 809 L HA 0.449 4.786 4.340 -0.004 0.000 0.271 809 L C -0.057 176.893 176.870 0.133 0.000 1.002 809 L CA -1.443 53.502 54.840 0.175 0.000 0.818 809 L CB 2.349 44.519 42.059 0.185 0.000 1.298 809 L HN 0.494 nan 8.230 nan 0.000 0.420 810 D N 2.966 123.430 120.400 0.106 0.000 2.363 810 D HA 0.119 4.757 4.640 -0.004 0.000 0.263 810 D C -1.617 174.756 176.300 0.121 0.000 1.258 810 D CA -1.110 52.937 54.000 0.080 0.000 0.907 810 D CB 1.192 42.017 40.800 0.043 0.000 1.107 810 D HN 0.249 nan 8.370 nan 0.000 0.495 811 P HA -0.122 nan 4.420 nan 0.000 0.220 811 P C 1.098 178.550 177.300 0.252 0.000 1.148 811 P CA 1.210 64.451 63.100 0.234 0.000 0.803 811 P CB 0.070 31.852 31.700 0.136 0.000 0.782 812 K N -0.048 120.408 120.400 0.092 0.000 2.283 812 K HA 0.057 4.375 4.320 -0.004 0.000 0.202 812 K C 2.120 178.756 176.600 0.061 0.000 1.048 812 K CA 1.565 57.857 56.287 0.009 0.000 0.948 812 K CB -1.776 30.700 32.500 -0.040 0.000 0.742 812 K HN 0.324 nan 8.250 nan 0.000 0.458 813 G N -0.171 108.682 108.800 0.088 0.000 3.042 813 G HA2 0.346 4.304 3.960 -0.004 0.000 0.212 813 G HA3 0.346 4.304 3.960 -0.004 0.000 0.212 813 G C 0.019 174.977 174.900 0.097 0.000 1.166 813 G CA 0.094 45.241 45.100 0.078 0.000 0.767 813 G HN 0.276 nan 8.290 nan 0.000 0.546 814 V N 0.721 120.724 119.914 0.148 0.000 2.432 814 V HA 0.251 4.369 4.120 -0.004 0.000 0.271 814 V C 0.815 176.954 176.094 0.075 0.000 1.046 814 V CA -0.050 62.319 62.300 0.115 0.000 0.945 814 V CB 1.434 33.367 31.823 0.182 0.000 0.992 814 V HN 0.217 nan 8.190 nan 0.000 0.471 815 K N 3.154 123.555 120.400 0.003 0.000 2.353 815 K HA 0.310 4.628 4.320 -0.004 0.000 0.195 815 K C 0.574 177.129 176.600 -0.075 0.000 1.031 815 K CA 0.035 56.319 56.287 -0.005 0.000 1.079 815 K CB 0.519 33.017 32.500 -0.004 0.000 0.857 815 K HN 0.567 nan 8.250 nan 0.000 0.535 816 R N 0.098 120.496 120.500 -0.169 0.000 2.536 816 R HA 0.273 4.611 4.340 -0.004 0.000 0.269 816 R C -1.940 174.073 176.300 -0.477 0.000 1.113 816 R CA -0.469 55.463 56.100 -0.281 0.000 0.948 816 R CB 1.543 31.725 30.300 -0.197 0.000 1.237 816 R HN -0.174 nan 8.270 nan 0.000 0.441 817 V N 4.795 124.258 119.914 -0.753 0.000 2.370 817 V HA 0.442 4.560 4.120 -0.004 0.000 0.283 817 V C -0.292 175.479 176.094 -0.538 0.000 1.023 817 V CA -0.752 61.042 62.300 -0.844 0.000 0.857 817 V CB 1.680 32.716 31.823 -1.311 0.000 0.985 817 V HN 0.527 nan 8.190 nan 0.000 0.443 818 V N 6.656 126.350 119.914 -0.366 0.000 2.439 818 V HA 0.492 4.610 4.120 -0.004 0.000 0.282 818 V C 0.146 176.124 176.094 -0.193 0.000 1.039 818 V CA -0.320 61.830 62.300 -0.251 0.000 0.913 818 V CB 1.474 33.151 31.823 -0.242 0.000 0.983 818 V HN 0.811 nan 8.190 nan 0.000 0.460 819 M N 5.325 124.844 119.600 -0.136 0.000 2.508 819 M HA 0.784 5.262 4.480 -0.004 0.000 0.327 819 M C -0.490 175.590 176.300 -0.366 0.000 1.160 819 M CA -0.362 54.895 55.300 -0.072 0.000 0.980 819 M CB 1.933 34.623 32.600 0.150 0.000 1.693 819 M HN 0.895 nan 8.290 nan 0.000 0.452 820 C N -0.960 118.140 119.300 -0.335 0.000 3.259 820 C HA 0.891 5.349 4.460 -0.004 0.000 0.344 820 C C -1.069 173.808 174.990 -0.188 0.000 1.401 820 C CA -0.815 57.797 59.018 -0.676 0.000 1.219 820 C CB 1.688 29.129 27.740 -0.498 0.000 1.521 820 C HN 0.919 nan 8.230 nan 0.000 0.455 821 S N 0.112 115.754 115.700 -0.097 0.000 2.536 821 S HA 0.960 5.428 4.470 -0.004 0.000 0.287 821 S C 0.243 174.893 174.600 0.083 0.000 1.101 821 S CA 0.452 58.708 58.200 0.093 0.000 0.950 821 S CB 1.098 64.469 63.200 0.284 0.000 1.056 821 S HN 2.848 nan 8.310 nan 0.000 0.481 822 G N 2.914 111.772 108.800 0.096 0.000 2.553 822 G HA2 -0.280 3.678 3.960 -0.004 0.000 0.242 822 G HA3 -0.280 3.678 3.960 -0.004 0.000 0.242 822 G C 0.532 175.526 174.900 0.158 0.000 1.277 822 G CA 0.297 45.488 45.100 0.152 0.000 0.910 822 G HN 0.919 nan 8.290 nan 0.000 0.576 823 K N -0.505 119.997 120.400 0.170 0.000 2.147 823 K HA 0.090 4.408 4.320 -0.004 0.000 0.205 823 K C 2.377 179.073 176.600 0.160 0.000 1.049 823 K CA 1.913 58.327 56.287 0.212 0.000 0.936 823 K CB -0.388 32.188 32.500 0.127 0.000 0.722 823 K HN 0.899 nan 8.250 nan 0.000 0.446 824 V N 1.422 121.377 119.914 0.068 0.000 2.688 824 V HA -0.272 3.846 4.120 -0.004 0.000 0.256 824 V C 2.082 178.141 176.094 -0.057 0.000 1.084 824 V CA 1.502 63.792 62.300 -0.017 0.000 1.103 824 V CB -0.671 31.095 31.823 -0.095 0.000 0.688 824 V HN 0.485 nan 8.190 nan 0.000 0.480 825 Y N 0.163 120.358 120.300 -0.176 0.000 2.081 825 Y HA -0.371 4.177 4.550 -0.004 0.000 0.280 825 Y C 2.194 177.921 175.900 -0.287 0.000 1.163 825 Y CA 2.682 60.606 58.100 -0.293 0.000 1.135 825 Y CB -0.476 37.723 38.460 -0.435 0.000 0.970 825 Y HN 0.427 nan 8.280 nan 0.000 0.498 826 Y N 0.472 120.618 120.300 -0.256 0.000 2.224 826 Y HA -0.245 4.303 4.550 -0.004 0.000 0.289 826 Y C 2.303 178.065 175.900 -0.230 0.000 1.146 826 Y CA 1.258 59.153 58.100 -0.342 0.000 1.182 826 Y CB -0.421 37.827 38.460 -0.355 0.000 0.983 826 Y HN 0.214 nan 8.280 nan 0.000 0.524 827 D N 0.160 120.553 120.400 -0.011 0.000 2.117 827 D HA -0.152 4.486 4.640 -0.004 0.000 0.197 827 D C 2.160 178.379 176.300 -0.135 0.000 0.987 827 D CA 1.246 55.221 54.000 -0.041 0.000 0.829 827 D CB -0.479 40.301 40.800 -0.034 0.000 0.961 827 D HN 0.308 nan 8.370 nan 0.000 0.460 828 L N 0.068 121.161 121.223 -0.218 0.000 2.046 828 L HA -0.147 4.191 4.340 -0.004 0.000 0.208 828 L C 2.399 179.095 176.870 -0.290 0.000 1.077 828 L CA 0.451 55.141 54.840 -0.250 0.000 0.747 828 L CB -0.402 41.495 42.059 -0.269 0.000 0.896 828 L HN 0.049 nan 8.230 nan 0.000 0.432 829 L N 0.016 120.975 121.223 -0.440 0.000 1.994 829 L HA -0.215 4.123 4.340 -0.004 0.000 0.208 829 L C 2.462 179.212 176.870 -0.199 0.000 1.071 829 L CA 1.839 56.441 54.840 -0.398 0.000 0.745 829 L CB -0.515 41.184 42.059 -0.599 0.000 0.892 829 L HN 0.217 nan 8.230 nan 0.000 0.431 830 E N -1.251 118.873 120.200 -0.127 0.000 2.110 830 E HA -0.288 4.060 4.350 -0.004 0.000 0.193 830 E C 2.106 178.662 176.600 -0.073 0.000 0.988 830 E CA 1.154 57.521 56.400 -0.054 0.000 0.804 830 E CB -0.040 29.666 29.700 0.010 0.000 0.745 830 E HN 0.488 nan 8.360 nan 0.000 0.458 831 Q N 0.956 120.698 119.800 -0.096 0.000 2.172 831 Q HA -0.107 4.231 4.340 -0.004 0.000 0.200 831 Q C 1.918 177.856 176.000 -0.104 0.000 0.964 831 Q CA 1.267 57.014 55.803 -0.092 0.000 0.855 831 Q CB 0.053 28.730 28.738 -0.101 0.000 0.918 831 Q HN 0.059 nan 8.270 nan 0.000 0.444 832 R N -0.542 119.879 120.500 -0.131 0.000 2.080 832 R HA 0.022 4.360 4.340 -0.004 0.000 0.222 832 R C 2.057 178.268 176.300 -0.149 0.000 1.107 832 R CA 0.772 56.785 56.100 -0.145 0.000 0.980 832 R CB 0.034 30.230 30.300 -0.173 0.000 0.879 832 R HN 0.180 nan 8.270 nan 0.000 0.439 833 R N 0.800 121.219 120.500 -0.135 0.000 2.083 833 R HA -0.181 4.157 4.340 -0.004 0.000 0.237 833 R C 2.410 178.665 176.300 -0.074 0.000 1.137 833 R CA 1.963 57.997 56.100 -0.110 0.000 0.951 833 R CB -0.379 29.877 30.300 -0.073 0.000 0.851 833 R HN 0.192 nan 8.270 nan 0.000 0.434 834 K N 0.928 121.290 120.400 -0.063 0.000 2.063 834 K HA -0.141 4.177 4.320 -0.004 0.000 0.208 834 K C 1.335 177.909 176.600 -0.042 0.000 1.048 834 K CA 1.699 57.959 56.287 -0.044 0.000 0.928 834 K CB -0.006 32.468 32.500 -0.044 0.000 0.713 834 K HN 0.083 nan 8.250 nan 0.000 0.442 835 N N 1.444 120.110 118.700 -0.058 0.000 2.521 835 N HA -0.110 4.628 4.740 -0.004 0.000 0.188 835 N C -0.249 175.241 175.510 -0.033 0.000 1.146 835 N CA 0.644 53.666 53.050 -0.048 0.000 0.893 835 N CB -0.404 38.046 38.487 -0.061 0.000 0.975 835 N HN 0.316 nan 8.380 nan 0.000 0.451 836 N N 0.986 119.663 118.700 -0.039 0.000 2.725 836 N HA -0.235 4.503 4.740 -0.004 0.000 0.251 836 N C -0.802 174.702 175.510 -0.010 0.000 1.031 836 N CA 0.460 53.510 53.050 -0.001 0.000 0.720 836 N CB -0.982 37.545 38.487 0.066 0.000 0.930 836 N HN 0.450 nan 8.380 nan 0.000 0.543 837 Q N -0.510 119.183 119.800 -0.178 0.000 2.293 837 Q HA 0.358 4.696 4.340 -0.004 0.000 0.261 837 Q C -0.163 175.637 176.000 -0.334 0.000 0.960 837 Q CA -0.586 55.135 55.803 -0.137 0.000 0.882 837 Q CB 0.691 29.362 28.738 -0.112 0.000 1.275 837 Q HN 0.576 nan 8.270 nan 0.000 0.445 838 H N 0.568 119.626 119.070 -0.019 0.000 3.233 838 H HA 0.066 4.619 4.556 -0.004 0.000 0.263 838 H C -0.375 174.952 175.328 -0.003 0.000 1.168 838 H CA 0.118 56.163 56.048 -0.005 0.000 1.159 838 H CB 0.870 30.635 29.762 0.006 0.000 1.593 838 H HN 0.629 nan 8.280 nan 0.000 0.580 839 D N 0.338 120.773 120.400 0.058 0.000 2.368 839 D HA 0.072 4.710 4.640 -0.004 0.000 0.218 839 D C 0.035 176.310 176.300 -0.041 0.000 1.112 839 D CA -0.003 54.013 54.000 0.026 0.000 0.834 839 D CB 0.386 41.199 40.800 0.021 0.000 0.953 839 D HN 0.122 nan 8.370 nan 0.000 0.505 840 V N 0.169 120.034 119.914 -0.081 0.000 2.524 840 V HA 0.704 4.822 4.120 -0.004 0.000 0.297 840 V C -0.973 175.010 176.094 -0.185 0.000 1.035 840 V CA -0.691 61.516 62.300 -0.155 0.000 0.867 840 V CB 1.138 32.867 31.823 -0.156 0.000 1.004 840 V HN 0.322 nan 8.190 nan 0.000 0.426 841 A N 7.189 129.834 122.820 -0.291 0.000 2.293 841 A HA 0.900 5.218 4.320 -0.004 0.000 0.302 841 A C -0.529 176.881 177.584 -0.290 0.000 1.119 841 A CA -0.537 51.319 52.037 -0.301 0.000 0.823 841 A CB 0.705 19.369 19.000 -0.560 0.000 1.097 841 A HN 0.898 nan 8.150 nan 0.000 0.491 842 I N 1.851 122.331 120.570 -0.150 0.000 2.468 842 I HA 0.341 4.509 4.170 -0.004 0.000 0.284 842 I C -0.923 175.199 176.117 0.008 0.000 1.038 842 I CA -0.541 60.714 61.300 -0.074 0.000 1.083 842 I CB 1.870 39.871 38.000 0.000 0.000 1.223 842 I HN 0.275 nan 8.210 nan 0.000 0.443 843 V N 5.984 125.864 119.914 -0.055 0.000 2.513 843 V HA 0.487 4.605 4.120 -0.004 0.000 0.299 843 V C 0.067 176.098 176.094 -0.104 0.000 1.035 843 V CA -0.782 61.485 62.300 -0.055 0.000 0.889 843 V CB 2.063 33.886 31.823 0.001 0.000 0.988 843 V HN 0.618 nan 8.190 nan 0.000 0.440 844 R N 3.590 123.965 120.500 -0.209 0.000 2.349 844 R HA 0.606 4.944 4.340 -0.004 0.000 0.299 844 R C -0.665 175.594 176.300 -0.069 0.000 1.027 844 R CA -0.188 55.794 56.100 -0.197 0.000 0.958 844 R CB 0.950 31.026 30.300 -0.374 0.000 1.047 844 R HN 0.610 nan 8.270 nan 0.000 0.468 845 I N 3.080 123.677 120.570 0.045 0.000 2.330 845 I HA 0.150 4.318 4.170 -0.004 0.000 0.286 845 I C 0.773 176.931 176.117 0.068 0.000 1.025 845 I CA -0.224 61.114 61.300 0.063 0.000 1.197 845 I CB 1.550 39.678 38.000 0.213 0.000 1.358 845 I HN 0.624 nan 8.210 nan 0.000 0.467 846 E N 4.039 124.232 120.200 -0.011 0.000 2.276 846 E HA -0.024 4.324 4.350 -0.004 0.000 0.193 846 E C 0.469 177.163 176.600 0.157 0.000 0.983 846 E CA 0.463 56.890 56.400 0.045 0.000 0.861 846 E CB 0.553 30.192 29.700 -0.102 0.000 0.817 846 E HN 0.597 nan 8.360 nan 0.000 0.485 847 Q N 0.945 120.795 119.800 0.085 0.000 2.357 847 Q HA 0.263 4.601 4.340 -0.004 0.000 0.266 847 Q C 0.474 176.442 176.000 -0.054 0.000 1.021 847 Q CA -0.167 55.667 55.803 0.052 0.000 0.784 847 Q CB 1.214 29.954 28.738 0.004 0.000 1.243 847 Q HN 0.094 nan 8.270 nan 0.000 0.465 848 L N 3.654 124.915 121.223 0.063 0.000 2.375 848 L HA 0.202 4.539 4.340 -0.004 0.000 0.215 848 L C -0.163 176.813 176.870 0.177 0.000 1.108 848 L CA 0.469 55.403 54.840 0.157 0.000 0.830 848 L CB 0.332 42.526 42.059 0.225 0.000 0.959 848 L HN 0.576 nan 8.230 nan 0.000 0.457 849 Y N -0.664 119.590 120.300 -0.077 0.000 2.480 849 Y HA 0.336 4.884 4.550 -0.003 0.000 0.329 849 Y C -2.648 173.112 175.900 -0.234 0.000 1.127 849 Y CA -2.548 55.479 58.100 -0.121 0.000 1.037 849 Y CB 1.672 40.123 38.460 -0.015 0.000 1.320 849 Y HN -0.247 nan 8.280 nan 0.000 0.446 850 P HA -0.052 nan 4.420 nan 0.000 0.261 850 P C -0.643 176.138 177.300 -0.865 0.000 1.173 850 P CA 0.595 62.886 63.100 -1.348 0.000 0.760 850 P CB 0.083 31.073 31.700 -1.182 0.000 0.783 851 F N 6.418 125.893 119.950 -0.793 0.000 2.543 851 F HA 0.181 4.706 4.527 -0.004 0.000 0.375 851 F C -1.603 173.843 175.800 -0.591 0.000 1.075 851 F CA -1.738 55.831 58.000 -0.719 0.000 1.225 851 F CB 0.440 38.727 39.000 -1.188 0.000 1.099 851 F HN 0.268 nan 8.300 nan 0.000 0.561 852 P HA 0.191 nan 4.420 nan 0.000 0.226 852 P C -0.403 176.730 177.300 -0.279 0.000 1.832 852 P CA 0.033 62.914 63.100 -0.365 0.000 1.092 852 P CB 0.017 31.526 31.700 -0.319 0.000 1.873 853 H N 1.011 120.113 119.070 0.053 0.000 2.290 853 H HA -0.144 4.410 4.556 -0.004 0.000 0.298 853 H C 2.122 177.509 175.328 0.098 0.000 1.087 853 H CA 1.777 57.907 56.048 0.138 0.000 1.291 853 H CB -0.045 29.831 29.762 0.190 0.000 1.369 853 H HN 0.200 nan 8.280 nan 0.000 0.492 854 K N 0.574 121.116 120.400 0.238 0.000 2.000 854 K HA -0.257 4.061 4.320 -0.004 0.000 0.218 854 K C 2.458 179.116 176.600 0.097 0.000 1.053 854 K CA 1.428 57.800 56.287 0.142 0.000 0.946 854 K CB -0.471 32.095 32.500 0.110 0.000 0.723 854 K HN 0.316 nan 8.250 nan 0.000 0.446 855 A N 1.267 124.136 122.820 0.082 0.000 1.927 855 A HA -0.240 4.078 4.320 -0.004 0.000 0.220 855 A C 2.132 179.729 177.584 0.021 0.000 1.185 855 A CA 2.143 54.201 52.037 0.035 0.000 0.639 855 A CB -0.477 18.533 19.000 0.017 0.000 0.820 855 A HN 0.329 nan 8.150 nan 0.000 0.451 856 M N -0.297 119.306 119.600 0.005 0.000 2.108 856 M HA -0.207 4.271 4.480 -0.004 0.000 0.261 856 M C 2.348 178.715 176.300 0.112 0.000 1.066 856 M CA 2.208 57.536 55.300 0.048 0.000 1.107 856 M CB -1.333 31.302 32.600 0.059 0.000 1.356 856 M HN 0.799 nan 8.290 nan 0.000 0.406 857 Q N 0.040 119.910 119.800 0.117 0.000 2.172 857 Q HA -0.093 4.245 4.340 -0.004 0.000 0.200 857 Q C 1.548 177.599 176.000 0.085 0.000 0.964 857 Q CA 1.620 57.491 55.803 0.113 0.000 0.855 857 Q CB -0.736 28.067 28.738 0.109 0.000 0.918 857 Q HN 0.546 nan 8.270 nan 0.000 0.444 858 E N 0.705 120.944 120.200 0.065 0.000 2.058 858 E HA -0.181 4.167 4.350 -0.004 0.000 0.194 858 E C 2.005 178.634 176.600 0.048 0.000 0.997 858 E CA 1.939 58.364 56.400 0.042 0.000 0.801 858 E CB -0.212 29.503 29.700 0.025 0.000 0.746 858 E HN 0.464 nan 8.360 nan 0.000 0.450 859 V N -1.203 118.755 119.914 0.073 0.000 3.306 859 V HA -0.012 4.105 4.120 -0.004 0.000 0.264 859 V C 1.550 177.768 176.094 0.207 0.000 1.149 859 V CA 0.856 63.219 62.300 0.105 0.000 1.143 859 V CB 0.043 31.920 31.823 0.090 0.000 0.767 859 V HN 0.069 nan 8.190 nan 0.000 0.476 860 L N 0.905 122.252 121.223 0.206 0.000 2.664 860 L HA 0.152 4.490 4.340 -0.004 0.000 0.233 860 L C 2.716 179.702 176.870 0.194 0.000 1.113 860 L CA 1.537 56.575 54.840 0.331 0.000 0.896 860 L CB 0.089 42.332 42.059 0.308 0.000 1.163 860 L HN 0.624 nan 8.230 nan 0.000 0.497 861 Q N -0.418 119.418 119.800 0.060 0.000 2.124 861 Q HA -0.256 4.082 4.340 -0.004 0.000 0.202 861 Q C 1.731 177.674 176.000 -0.094 0.000 0.977 861 Q CA 1.390 57.198 55.803 0.009 0.000 0.850 861 Q CB -1.261 27.482 28.738 0.008 0.000 0.901 861 Q HN 0.817 nan 8.270 nan 0.000 0.429 862 Q N -0.499 119.132 119.800 -0.283 0.000 2.439 862 Q HA -0.001 4.336 4.340 -0.004 0.000 0.211 862 Q C 0.901 176.515 176.000 -0.644 0.000 0.978 862 Q CA 1.304 56.828 55.803 -0.465 0.000 0.897 862 Q CB -0.402 27.943 28.738 -0.654 0.000 0.956 862 Q HN 0.712 nan 8.270 nan 0.000 0.483 863 F N -0.320 119.572 119.950 -0.098 0.000 2.668 863 F HA 0.504 5.029 4.527 -0.004 0.000 0.301 863 F C 1.865 177.480 175.800 -0.308 0.000 1.106 863 F CA -0.266 57.563 58.000 -0.285 0.000 1.289 863 F CB 0.361 39.326 39.000 -0.058 0.000 1.006 863 F HN 0.106 nan 8.300 nan 0.000 0.535 864 A N 0.533 123.284 122.820 -0.115 0.000 2.054 864 A HA -0.298 4.020 4.320 -0.004 0.000 0.223 864 A C 1.599 179.216 177.584 0.055 0.000 1.169 864 A CA 2.537 54.592 52.037 0.030 0.000 0.655 864 A CB -1.139 17.919 19.000 0.096 0.000 0.812 864 A HN 0.701 nan 8.150 nan 0.000 0.462 865 H N -2.717 116.477 119.070 0.208 0.000 2.575 865 H HA 0.491 5.045 4.556 -0.004 0.000 0.267 865 H C 0.228 175.672 175.328 0.194 0.000 0.966 865 H CA 0.120 56.269 56.048 0.168 0.000 1.165 865 H CB -0.598 29.239 29.762 0.125 0.000 1.433 865 H HN 0.136 nan 8.280 nan 0.000 0.544 866 V N 1.384 121.382 119.914 0.140 0.000 2.614 866 V HA 0.024 4.142 4.120 -0.004 0.000 0.291 866 V C 0.783 177.075 176.094 0.329 0.000 1.049 866 V CA -0.008 62.420 62.300 0.214 0.000 1.038 866 V CB 1.540 33.410 31.823 0.079 0.000 0.980 866 V HN 0.322 nan 8.190 nan 0.000 0.481 867 K N 1.009 121.550 120.400 0.235 0.000 2.380 867 K HA 0.146 4.464 4.320 -0.004 0.000 0.198 867 K C 0.065 176.820 176.600 0.257 0.000 1.070 867 K CA -0.016 56.405 56.287 0.224 0.000 1.040 867 K CB 0.433 33.008 32.500 0.125 0.000 0.903 867 K HN 0.894 nan 8.250 nan 0.000 0.549 868 D N 0.376 120.892 120.400 0.194 0.000 2.454 868 D HA 0.327 4.965 4.640 -0.004 0.000 0.225 868 D C -1.305 175.023 176.300 0.046 0.000 1.081 868 D CA -0.572 53.500 54.000 0.121 0.000 0.864 868 D CB -0.062 40.749 40.800 0.018 0.000 1.040 868 D HN -0.066 nan 8.370 nan 0.000 0.517 869 F N 2.501 122.468 119.950 0.028 0.000 2.469 869 F HA 0.520 5.045 4.527 -0.004 0.000 0.332 869 F C 0.021 175.852 175.800 0.053 0.000 1.103 869 F CA -0.874 57.143 58.000 0.029 0.000 0.979 869 F CB 1.952 40.993 39.000 0.069 0.000 1.137 869 F HN 0.003 nan 8.300 nan 0.000 0.463 870 V N 3.270 123.242 119.914 0.098 0.000 2.588 870 V HA 0.233 4.351 4.120 -0.004 0.000 0.304 870 V C -0.972 175.180 176.094 0.096 0.000 1.042 870 V CA -1.115 61.227 62.300 0.070 0.000 0.877 870 V CB 2.173 33.945 31.823 -0.085 0.000 0.996 870 V HN 0.788 nan 8.190 nan 0.000 0.425 871 W N 5.673 126.961 121.300 -0.019 0.000 2.351 871 W HA 0.562 5.220 4.660 -0.004 0.000 0.311 871 W C -0.770 175.623 176.519 -0.211 0.000 1.168 871 W CA -0.472 56.817 57.345 -0.093 0.000 1.200 871 W CB 1.531 31.064 29.460 0.121 0.000 1.221 871 W HN 0.713 nan 8.180 nan 0.000 0.519 872 C N 8.156 126.834 119.300 -1.036 0.000 2.408 872 C HA 0.589 5.047 4.460 -0.004 0.000 0.321 872 C C -0.731 173.629 174.990 -1.050 0.000 1.245 872 C CA -0.218 58.266 59.018 -0.891 0.000 1.523 872 C CB 0.962 28.350 27.740 -0.588 0.000 2.178 872 C HN 0.719 nan 8.230 nan 0.000 0.488 873 Q N 3.911 123.304 119.800 -0.678 0.000 2.315 873 Q HA 0.407 4.745 4.340 -0.004 0.000 0.273 873 Q C 0.101 175.949 176.000 -0.252 0.000 1.053 873 Q CA -0.550 55.044 55.803 -0.348 0.000 0.817 873 Q CB 1.757 30.528 28.738 0.056 0.000 1.326 873 Q HN 0.720 nan 8.270 nan 0.000 0.423 874 E N 1.313 121.390 120.200 -0.205 0.000 2.097 874 E HA -0.177 4.171 4.350 -0.004 0.000 0.196 874 E C 0.020 176.356 176.600 -0.439 0.000 1.000 874 E CA 1.572 57.818 56.400 -0.257 0.000 0.804 874 E CB 0.252 29.848 29.700 -0.174 0.000 0.740 874 E HN 0.660 nan 8.360 nan 0.000 0.454 875 E N 1.504 121.501 120.200 -0.338 0.000 2.374 875 E HA 0.174 4.522 4.350 -0.004 0.000 0.260 875 E C -2.453 174.060 176.600 -0.145 0.000 1.101 875 E CA -2.421 53.717 56.400 -0.437 0.000 0.907 875 E CB -0.251 29.428 29.700 -0.035 0.000 1.014 875 E HN -0.126 nan 8.360 nan 0.000 0.427 876 P HA -0.012 nan 4.420 nan 0.000 0.269 876 P C 1.042 178.365 177.300 0.038 0.000 1.217 876 P CA -0.172 62.939 63.100 0.020 0.000 0.783 876 P CB 0.561 32.295 31.700 0.057 0.000 0.898 877 L N 2.067 123.261 121.223 -0.048 0.000 2.021 877 L HA -0.252 4.086 4.340 -0.004 0.000 0.215 877 L C 1.660 178.324 176.870 -0.342 0.000 1.074 877 L CA 2.058 56.684 54.840 -0.356 0.000 0.760 877 L CB -0.491 41.287 42.059 -0.468 0.000 0.889 877 L HN 0.507 nan 8.230 nan 0.000 0.433 878 N N -0.775 117.857 118.700 -0.112 0.000 2.515 878 N HA -0.070 4.668 4.740 -0.004 0.000 0.191 878 N C 0.309 175.878 175.510 0.097 0.000 1.182 878 N CA 0.278 53.356 53.050 0.046 0.000 0.879 878 N CB 0.165 38.749 38.487 0.162 0.000 0.984 878 N HN 0.562 nan 8.380 nan 0.000 0.453 879 Q N -1.361 118.483 119.800 0.074 0.000 3.146 879 Q HA 0.570 4.908 4.340 -0.004 0.000 0.318 879 Q C 0.539 176.659 176.000 0.199 0.000 0.992 879 Q CA -0.650 55.244 55.803 0.152 0.000 0.809 879 Q CB 1.048 29.889 28.738 0.173 0.000 1.490 879 Q HN 0.094 nan 8.270 nan 0.000 0.493 880 G N 0.618 109.569 108.800 0.252 0.000 2.602 880 G HA2 -0.338 3.620 3.960 -0.004 0.000 0.306 880 G HA3 -0.338 3.620 3.960 -0.004 0.000 0.306 880 G C 0.449 175.533 174.900 0.308 0.000 1.301 880 G CA 0.555 45.845 45.100 0.317 0.000 0.974 880 G HN 0.874 nan 8.290 nan 0.000 0.547 881 A N -1.478 121.591 122.820 0.413 0.000 2.252 881 A HA 0.354 4.672 4.320 -0.004 0.000 0.213 881 A C 1.838 179.508 177.584 0.144 0.000 1.188 881 A CA 1.192 53.386 52.037 0.260 0.000 0.863 881 A CB -0.415 18.750 19.000 0.275 0.000 0.893 881 A HN 0.935 nan 8.150 nan 0.000 0.495 882 W N -0.084 121.269 121.300 0.088 0.000 2.317 882 W HA -0.286 4.372 4.660 -0.004 0.000 0.318 882 W C 1.455 177.968 176.519 -0.011 0.000 1.227 882 W CA 2.077 59.435 57.345 0.022 0.000 1.269 882 W CB -0.367 29.116 29.460 0.039 0.000 1.155 882 W HN 0.459 nan 8.180 nan 0.000 0.484 883 Y N 0.200 120.453 120.300 -0.077 0.000 2.263 883 Y HA -0.139 4.409 4.550 -0.004 0.000 0.292 883 Y C 2.839 178.576 175.900 -0.271 0.000 1.130 883 Y CA 1.103 59.052 58.100 -0.251 0.000 1.179 883 Y CB -1.330 37.090 38.460 -0.066 0.000 0.998 883 Y HN -0.022 nan 8.280 nan 0.000 0.532 884 C N -1.345 117.939 119.300 -0.026 0.000 2.464 884 C HA 0.009 4.467 4.460 -0.004 0.000 0.278 884 C C 2.239 177.108 174.990 -0.202 0.000 1.375 884 C CA 1.325 60.295 59.018 -0.081 0.000 1.761 884 C CB -0.772 26.953 27.740 -0.025 0.000 1.944 884 C HN 0.388 nan 8.230 nan 0.000 0.509 885 S N -0.910 114.506 115.700 -0.474 0.000 2.666 885 S HA 0.031 4.498 4.470 -0.004 0.000 0.239 885 S C 1.379 174.975 174.600 -1.674 0.000 1.031 885 S CA -0.235 57.385 58.200 -0.967 0.000 1.015 885 S CB -0.116 62.563 63.200 -0.868 0.000 0.981 885 S HN 0.577 nan 8.310 nan 0.000 0.547 886 Q N 1.720 120.856 119.800 -1.108 0.000 2.045 886 Q HA -0.327 4.010 4.340 -0.004 0.000 0.215 886 Q C 1.856 177.421 176.000 -0.725 0.000 1.026 886 Q CA 2.693 57.963 55.803 -0.888 0.000 0.885 886 Q CB -0.461 27.827 28.738 -0.750 0.000 0.984 886 Q HN 0.945 nan 8.270 nan 0.000 0.414 887 H N -2.072 116.601 119.070 -0.662 0.000 2.457 887 H HA -0.057 4.496 4.556 -0.004 0.000 0.294 887 H C 1.731 176.755 175.328 -0.507 0.000 1.064 887 H CA 1.440 57.187 56.048 -0.502 0.000 1.330 887 H CB -0.249 29.225 29.762 -0.480 0.000 1.395 887 H HN 0.323 nan 8.280 nan 0.000 0.541 888 H N 0.357 118.654 119.070 -1.289 0.000 2.326 888 H HA -0.074 4.480 4.556 -0.004 0.000 0.301 888 H C 1.992 176.892 175.328 -0.714 0.000 1.081 888 H CA 1.486 56.779 56.048 -1.258 0.000 1.334 888 H CB -0.568 27.838 29.762 -2.260 0.000 1.385 888 H HN 0.462 nan 8.280 nan 0.000 0.504 889 F N 1.186 120.881 119.950 -0.425 0.000 2.069 889 F HA -0.210 4.315 4.527 -0.004 0.000 0.298 889 F C 2.858 178.615 175.800 -0.071 0.000 1.113 889 F CA 0.666 58.591 58.000 -0.125 0.000 1.214 889 F CB -0.219 38.743 39.000 -0.064 0.000 0.978 889 F HN 0.019 nan 8.300 nan 0.000 0.474 890 R N 0.503 121.046 120.500 0.072 0.000 2.133 890 R HA -0.213 4.125 4.340 -0.004 0.000 0.247 890 R C 1.711 178.035 176.300 0.041 0.000 1.151 890 R CA 1.803 57.925 56.100 0.035 0.000 0.971 890 R CB -0.485 29.812 30.300 -0.005 0.000 0.866 890 R HN 0.424 nan 8.270 nan 0.000 0.447 891 E N -0.540 119.683 120.200 0.038 0.000 2.478 891 E HA -0.078 4.270 4.350 -0.004 0.000 0.198 891 E C 1.115 177.809 176.600 0.156 0.000 1.046 891 E CA 0.448 56.911 56.400 0.105 0.000 0.870 891 E CB 0.434 30.234 29.700 0.166 0.000 0.818 891 E HN 0.101 nan 8.360 nan 0.000 0.527 892 V N 0.737 120.740 119.914 0.148 0.000 3.539 892 V HA 0.128 4.245 4.120 -0.004 0.000 0.262 892 V C 0.573 176.700 176.094 0.055 0.000 1.381 892 V CA -0.099 62.315 62.300 0.189 0.000 1.060 892 V CB 0.464 32.490 31.823 0.340 0.000 0.842 892 V HN 0.169 nan 8.190 nan 0.000 0.445 893 I N -0.511 120.008 120.570 -0.085 0.000 2.713 893 I HA 0.508 4.676 4.170 -0.004 0.000 0.300 893 I C -2.191 173.792 176.117 -0.225 0.000 1.009 893 I CA -2.087 58.962 61.300 -0.419 0.000 1.305 893 I CB 0.246 37.774 38.000 -0.787 0.000 1.430 893 I HN -0.022 nan 8.210 nan 0.000 0.546 894 P HA 0.012 nan 4.420 nan 0.000 0.270 894 P C 0.226 177.566 177.300 0.067 0.000 1.227 894 P CA 0.025 63.119 63.100 -0.010 0.000 0.788 894 P CB 0.370 32.090 31.700 0.033 0.000 0.926 895 F N 1.191 121.138 119.950 -0.005 0.000 2.134 895 F HA -0.146 4.379 4.527 -0.004 0.000 0.299 895 F C 2.180 177.993 175.800 0.021 0.000 1.097 895 F CA 1.884 59.889 58.000 0.008 0.000 1.264 895 F CB -0.547 38.466 39.000 0.021 0.000 1.001 895 F HN 0.389 nan 8.300 nan 0.000 0.479 896 G N 0.403 109.098 108.800 -0.176 0.000 2.469 896 G HA2 -0.164 3.794 3.960 -0.004 0.000 0.220 896 G HA3 -0.164 3.794 3.960 -0.004 0.000 0.220 896 G C 0.774 175.596 174.900 -0.129 0.000 1.136 896 G CA 0.476 45.447 45.100 -0.214 0.000 0.759 896 G HN 0.600 nan 8.290 nan 0.000 0.562 897 A N 0.347 123.136 122.820 -0.053 0.000 2.425 897 A HA 0.566 4.884 4.320 -0.004 0.000 0.249 897 A C 0.883 178.489 177.584 0.037 0.000 1.084 897 A CA 0.369 52.425 52.037 0.031 0.000 0.781 897 A CB 0.382 19.374 19.000 -0.013 0.000 1.019 897 A HN 0.838 nan 8.150 nan 0.000 0.490 898 S N 1.042 116.803 115.700 0.101 0.000 2.669 898 S HA 0.695 5.162 4.470 -0.004 0.000 0.270 898 S C -0.513 174.209 174.600 0.204 0.000 1.225 898 S CA -0.497 57.777 58.200 0.123 0.000 0.991 898 S CB 1.077 64.344 63.200 0.112 0.000 0.987 898 S HN 1.576 nan 8.310 nan 0.000 0.552 899 L N 1.163 122.523 121.223 0.228 0.000 2.516 899 L HA 0.738 5.076 4.340 -0.004 0.000 0.267 899 L C -0.874 176.225 176.870 0.381 0.000 0.957 899 L CA -0.416 54.619 54.840 0.325 0.000 0.860 899 L CB 1.836 44.098 42.059 0.338 0.000 1.265 899 L HN 1.118 nan 8.230 nan 0.000 0.403 900 R N 3.187 123.893 120.500 0.343 0.000 2.836 900 R HA 0.587 4.924 4.340 -0.004 0.000 0.269 900 R C -1.861 174.501 176.300 0.103 0.000 1.010 900 R CA -0.826 55.435 56.100 0.267 0.000 0.930 900 R CB 1.032 31.423 30.300 0.152 0.000 1.218 900 R HN 0.529 nan 8.270 nan 0.000 0.473 901 Y N 0.981 121.098 120.300 -0.305 0.000 2.320 901 Y HA 0.685 5.232 4.550 -0.004 0.000 0.334 901 Y C -1.128 174.568 175.900 -0.342 0.000 1.055 901 Y CA -0.323 57.397 58.100 -0.633 0.000 1.143 901 Y CB 1.606 39.386 38.460 -1.133 0.000 1.193 901 Y HN 0.898 nan 8.280 nan 0.000 0.477 902 A N 4.482 126.724 122.820 -0.963 0.000 2.343 902 A HA 0.892 5.209 4.320 -0.004 0.000 0.308 902 A C -0.287 176.567 177.584 -1.216 0.000 1.092 902 A CA 0.129 51.650 52.037 -0.859 0.000 0.751 902 A CB 0.929 19.639 19.000 -0.483 0.000 1.203 902 A HN 1.377 nan 8.150 nan 0.000 0.452 903 G N 1.049 109.293 108.800 -0.927 0.000 2.333 903 G HA2 0.379 4.337 3.960 -0.004 0.000 0.288 903 G HA3 0.379 4.337 3.960 -0.004 0.000 0.288 903 G C -1.131 173.675 174.900 -0.157 0.000 1.286 903 G CA -1.074 43.680 45.100 -0.577 0.000 0.865 903 G HN 0.770 nan 8.290 nan 0.000 0.506 904 R N 1.019 121.496 120.500 -0.040 0.000 2.641 904 R HA 0.390 4.728 4.340 -0.004 0.000 0.269 904 R C -2.038 174.319 176.300 0.095 0.000 1.074 904 R CA -1.073 55.029 56.100 0.004 0.000 1.133 904 R CB 0.736 31.006 30.300 -0.049 0.000 1.029 904 R HN 0.352 nan 8.270 nan 0.000 0.488 905 P HA 0.021 nan 4.420 nan 0.000 0.272 905 P C -0.761 176.553 177.300 0.022 0.000 1.230 905 P CA -0.200 62.924 63.100 0.039 0.000 0.788 905 P CB 0.492 32.211 31.700 0.031 0.000 0.949 906 A N 1.857 124.676 122.820 -0.002 0.000 2.507 906 A HA 0.433 4.751 4.320 -0.004 0.000 0.235 906 A C 0.535 178.145 177.584 0.042 0.000 1.070 906 A CA 0.704 52.751 52.037 0.016 0.000 0.768 906 A CB -0.732 18.285 19.000 0.029 0.000 1.011 906 A HN 0.720 nan 8.150 nan 0.000 0.502 907 S N -0.392 115.343 115.700 0.058 0.000 2.543 907 S HA 0.611 5.079 4.470 -0.004 0.000 0.274 907 S C 0.183 174.822 174.600 0.065 0.000 1.149 907 S CA 0.023 58.260 58.200 0.061 0.000 0.866 907 S CB 1.123 64.365 63.200 0.070 0.000 1.111 907 S HN 1.916 nan 8.310 nan 0.000 0.457 908 A N 1.745 124.597 122.820 0.053 0.000 1.970 908 A HA 0.424 4.742 4.320 -0.004 0.000 0.216 908 A C 1.313 178.926 177.584 0.047 0.000 1.170 908 A CA 1.106 53.172 52.037 0.048 0.000 0.645 908 A CB -0.654 18.369 19.000 0.037 0.000 0.816 908 A HN 1.166 nan 8.150 nan 0.000 0.447 909 S N -0.796 114.931 115.700 0.045 0.000 2.541 909 S HA 0.464 4.932 4.470 -0.004 0.000 0.283 909 S C -1.772 172.870 174.600 0.069 0.000 1.196 909 S CA -1.652 56.571 58.200 0.038 0.000 1.062 909 S CB 1.166 64.374 63.200 0.015 0.000 1.009 909 S HN 0.049 nan 8.310 nan 0.000 0.502 910 P HA 0.072 nan 4.420 nan 0.000 0.216 910 P C -0.312 177.106 177.300 0.196 0.000 1.150 910 P CA 1.014 64.198 63.100 0.139 0.000 0.843 910 P CB 0.142 31.880 31.700 0.064 0.000 0.787 911 A N -1.345 121.518 122.820 0.070 0.000 2.520 911 A HA 0.524 4.842 4.320 -0.004 0.000 0.298 911 A C -0.396 177.193 177.584 0.009 0.000 1.051 911 A CA -0.742 51.331 52.037 0.060 0.000 0.690 911 A CB 1.110 20.020 19.000 -0.150 0.000 1.281 911 A HN -0.064 nan 8.150 nan 0.000 0.402 912 V N 0.893 120.829 119.914 0.037 0.000 3.139 912 V HA 0.528 4.646 4.120 -0.004 0.000 0.307 912 V C 1.319 177.336 176.094 -0.128 0.000 1.095 912 V CA 0.763 63.038 62.300 -0.041 0.000 1.160 912 V CB 0.597 32.424 31.823 0.005 0.000 1.003 912 V HN 1.418 nan 8.190 nan 0.000 0.489 913 G N 1.187 109.801 108.800 -0.311 0.000 2.448 913 G HA2 -0.000 3.958 3.960 -0.004 0.000 0.218 913 G HA3 -0.000 3.958 3.960 -0.004 0.000 0.218 913 G C 0.494 175.269 174.900 -0.208 0.000 1.135 913 G CA 0.385 45.266 45.100 -0.365 0.000 0.784 913 G HN 0.929 nan 8.290 nan 0.000 0.543 914 H N -1.391 117.695 119.070 0.027 0.000 2.505 914 H HA 0.374 4.928 4.556 -0.004 0.000 0.338 914 H C 0.987 176.346 175.328 0.052 0.000 1.057 914 H CA -0.888 55.178 56.048 0.029 0.000 1.202 914 H CB 2.282 32.061 29.762 0.029 0.000 1.466 914 H HN 0.001 nan 8.280 nan 0.000 0.499 915 M N 2.334 122.031 119.600 0.161 0.000 2.108 915 M HA -0.189 4.289 4.480 -0.004 0.000 0.261 915 M C 1.879 178.273 176.300 0.156 0.000 1.066 915 M CA 2.147 57.527 55.300 0.133 0.000 1.107 915 M CB -0.052 32.598 32.600 0.083 0.000 1.356 915 M HN 0.657 nan 8.290 nan 0.000 0.406 916 S N -1.008 114.763 115.700 0.118 0.000 2.382 916 S HA -0.106 4.362 4.470 -0.004 0.000 0.228 916 S C 1.834 176.487 174.600 0.087 0.000 1.027 916 S CA 1.386 59.636 58.200 0.083 0.000 0.991 916 S CB -1.367 61.864 63.200 0.051 0.000 0.823 916 S HN 0.407 nan 8.310 nan 0.000 0.469 917 V N 2.295 122.284 119.914 0.124 0.000 2.307 917 V HA -0.179 3.939 4.120 -0.004 0.000 0.245 917 V C 2.617 178.774 176.094 0.104 0.000 1.045 917 V CA 2.246 64.611 62.300 0.108 0.000 1.024 917 V CB -1.153 30.750 31.823 0.134 0.000 0.651 917 V HN 0.683 nan 8.190 nan 0.000 0.449 918 H N 0.673 119.777 119.070 0.056 0.000 2.289 918 H HA -0.253 4.301 4.556 -0.003 0.000 0.294 918 H C 2.336 177.688 175.328 0.040 0.000 1.095 918 H CA 2.597 58.678 56.048 0.055 0.000 1.256 918 H CB -0.201 29.595 29.762 0.057 0.000 1.359 918 H HN 0.469 nan 8.280 nan 0.000 0.487 919 Q N -0.331 119.419 119.800 -0.083 0.000 2.096 919 Q HA -0.197 4.141 4.340 -0.004 0.000 0.204 919 Q C 2.402 178.318 176.000 -0.140 0.000 0.982 919 Q CA 1.820 57.533 55.803 -0.150 0.000 0.850 919 Q CB -0.092 28.642 28.738 -0.007 0.000 0.901 919 Q HN 0.356 nan 8.270 nan 0.000 0.422 920 K N 0.948 121.305 120.400 -0.072 0.000 2.032 920 K HA -0.225 4.092 4.320 -0.004 0.000 0.209 920 K C 1.926 178.473 176.600 -0.088 0.000 1.048 920 K CA 1.726 57.977 56.287 -0.061 0.000 0.927 920 K CB -0.002 32.484 32.500 -0.023 0.000 0.712 920 K HN 0.190 nan 8.250 nan 0.000 0.441 921 Q N -0.293 119.447 119.800 -0.099 0.000 2.084 921 Q HA -0.232 4.106 4.340 -0.004 0.000 0.202 921 Q C 2.274 178.181 176.000 -0.156 0.000 0.978 921 Q CA 1.727 57.468 55.803 -0.103 0.000 0.844 921 Q CB -0.173 28.529 28.738 -0.060 0.000 0.898 921 Q HN 0.338 nan 8.270 nan 0.000 0.426 922 Q N 0.808 120.458 119.800 -0.249 0.000 2.030 922 Q HA -0.252 4.086 4.340 -0.004 0.000 0.204 922 Q C 2.013 177.916 176.000 -0.161 0.000 0.986 922 Q CA 1.805 57.468 55.803 -0.232 0.000 0.843 922 Q CB -0.165 28.386 28.738 -0.313 0.000 0.904 922 Q HN 0.186 nan 8.270 nan 0.000 0.420 923 Q N 0.261 119.977 119.800 -0.140 0.000 2.084 923 Q HA -0.153 4.184 4.340 -0.004 0.000 0.202 923 Q C 1.342 177.279 176.000 -0.104 0.000 0.978 923 Q CA 2.131 57.870 55.803 -0.106 0.000 0.844 923 Q CB -0.424 28.265 28.738 -0.082 0.000 0.898 923 Q HN 0.461 nan 8.270 nan 0.000 0.426 924 D N -0.465 119.875 120.400 -0.100 0.000 2.117 924 D HA -0.128 4.510 4.640 -0.004 0.000 0.197 924 D C 1.925 178.155 176.300 -0.116 0.000 0.987 924 D CA 1.447 55.391 54.000 -0.092 0.000 0.829 924 D CB -0.293 40.464 40.800 -0.073 0.000 0.961 924 D HN 0.437 nan 8.370 nan 0.000 0.460 925 L N -1.035 120.103 121.223 -0.141 0.000 2.072 925 L HA -0.033 4.305 4.340 -0.004 0.000 0.205 925 L C 2.245 178.996 176.870 -0.198 0.000 1.079 925 L CA 0.971 55.700 54.840 -0.186 0.000 0.752 925 L CB -1.165 40.763 42.059 -0.217 0.000 0.906 925 L HN -0.176 nan 8.230 nan 0.000 0.436 926 V N 1.368 121.177 119.914 -0.174 0.000 2.231 926 V HA -0.304 3.814 4.120 -0.004 0.000 0.248 926 V C 2.616 178.620 176.094 -0.149 0.000 1.054 926 V CA 2.293 64.493 62.300 -0.166 0.000 1.015 926 V CB -1.084 30.655 31.823 -0.141 0.000 0.638 926 V HN 0.546 nan 8.190 nan 0.000 0.444 927 N N 0.217 118.842 118.700 -0.124 0.000 2.104 927 N HA -0.199 4.539 4.740 -0.004 0.000 0.190 927 N C 1.684 177.127 175.510 -0.112 0.000 1.024 927 N CA 1.802 54.788 53.050 -0.106 0.000 0.853 927 N CB -0.616 37.820 38.487 -0.085 0.000 1.008 927 N HN 0.598 nan 8.380 nan 0.000 0.424 928 D N 0.516 120.842 120.400 -0.124 0.000 2.144 928 D HA -0.022 4.616 4.640 -0.004 0.000 0.199 928 D C 1.708 177.920 176.300 -0.147 0.000 0.984 928 D CA 1.215 55.140 54.000 -0.125 0.000 0.834 928 D CB -0.135 40.585 40.800 -0.133 0.000 0.955 928 D HN 0.226 nan 8.370 nan 0.000 0.465 929 A N 0.150 122.861 122.820 -0.182 0.000 1.873 929 A HA -0.042 4.276 4.320 -0.004 0.000 0.215 929 A C 2.427 179.910 177.584 -0.167 0.000 1.186 929 A CA 0.980 52.897 52.037 -0.201 0.000 0.616 929 A CB -0.751 18.102 19.000 -0.245 0.000 0.823 929 A HN 0.361 nan 8.150 nan 0.000 0.442 930 L N -0.251 120.881 121.223 -0.152 0.000 2.478 930 L HA -0.023 4.315 4.340 -0.004 0.000 0.223 930 L C 0.732 177.538 176.870 -0.107 0.000 1.140 930 L CA 0.119 54.878 54.840 -0.134 0.000 0.842 930 L CB -0.524 41.458 42.059 -0.129 0.000 0.953 930 L HN 0.339 nan 8.230 nan 0.000 0.452 931 N N 1.032 119.673 118.700 -0.098 0.000 2.482 931 N HA 0.124 4.862 4.740 -0.004 0.000 0.242 931 N C -0.565 174.906 175.510 -0.066 0.000 1.100 931 N CA -0.221 52.784 53.050 -0.075 0.000 0.946 931 N CB 0.739 39.186 38.487 -0.067 0.000 1.227 931 N HN -0.055 nan 8.380 nan 0.000 0.508 932 V N 0.297 120.176 119.914 -0.058 0.000 2.270 932 V HA 0.805 4.923 4.120 -0.004 0.000 0.263 932 V C 0.483 176.559 176.094 -0.029 0.000 1.066 932 V CA -0.569 61.705 62.300 -0.043 0.000 0.857 932 V CB -0.448 31.349 31.823 -0.044 0.000 1.099 932 V HN 0.614 nan 8.190 nan 0.000 0.476 933 E N 0.000 120.185 120.200 -0.025 0.000 2.725 933 E HA 0.000 4.348 4.350 -0.004 0.000 0.291 933 E CA 0.000 56.389 56.400 -0.018 0.000 0.976 933 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 933 E HN 0.000 nan 8.360 nan 0.000 0.440