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 2fhc_1_A DATA FIRST_RESID 32 DATA SEQUENCE DVVVRLPDVA VPGEAVQASA RQAVIHLVDI AGITSSTPAD YATKNLYLWN DATA SEQUENCE NETcDALSAP VADWNDVSTT PTGSDKYGPY WVIPLTKESG cINVIVRDGT DATA SEQUENCE NKLIDSDLRV SFSDFTDRTV SVIAGNSAVY DSRADAFRAA FGVALADAHW DATA SEQUENCE VDKTTLLWPG GENKPIVRLY YSHSSKVAAD SNGEFSDKYV KLTPTTVNQQ DATA SEQUENCE VSMRFPHLAS YPAFKLPDDV NVDELLQGET VAIAAESDGI LSSATQVQTA DATA SEQUENCE GVLDDTYAAA AEALSYGAQL TDSGVTFRVW APTAQQVELV IYSADKKVIA DATA SEQUENCE SHPMTRDSAS GAWSWQGGSD LKGAFYRYAM TVYHPQSRKV EQYEVTDPYA DATA SEQUENCE HSLSTNSEYS QVVDLNDSAL KPEGWDGLTM PHAQKTKADL AKMTIHESHI DATA SEQUENCE RDLSAWDQTV PAELRGKYLA LTAQESNMVQ HLKQLSASGV THIELLPVFD DATA SEQUENCE LATVNEFSDK VADIQQPFSR LcEVNSAVKS SEFAGYcDSG STVEEVLTQL DATA SEQUENCE KQNDSKDNPQ VQALNTLVAQ TDSYNWGYDP FHYTVPEGSY ATDPEGTARI DATA SEQUENCE KEFRTMIQAI KQDLGMNVIM DVVYNHTNAA GPTDRTSVLD KIVPWYYQRL DATA SEQUENCE NETTGSVESA TCCSDSAPEH RMFAKLIADS LAVWTTDYKI DGFRFDLMLY DATA SEQUENCE HPKAQILSAW ERIKALNPDI YFFGEGWDSN QSDRFEIASQ INLKGTGIGT DATA SEQUENCE FSDRLRDAVR GGGPFDSGDA LRQNQGVGSG AGVLPNELTT LSDDQARHLA DATA SEQUENCE DLTRLGMAGN LADFVLIDKD GAVKRGSEID YNGAPGGYAA DPTEVVNYVS DATA SEQUENCE KHDNQTLWDM ISYKAAQEAD LDTRVRMQAV SLATVMLGQG IAFDQQGSEL DATA SEQUENCE LRSKSFTRDS YDSGDWFNRV DYSLQDNNYN VGMPRSSDDG SNYDIIARVK DATA SEQUENCE DAVATPGETE LKQMTAFYQE LTALRKSSPL FTLGDGATVM KRVDFRNTGA DATA SEQUENCE DQQTGLLVMT IDDGMQAGAS LDSRVDGIVV AINAAPESRT LQDFAGTSLQ DATA SEQUENCE LSAIQQAAGD RSLASGVQVA ADGSVTLPAW SVAVLELPQG ESQGAGLPVS DATA SEQUENCE SK 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 32 D HA 0.000 nan 4.640 nan 0.000 0.175 32 D C 0.000 176.342 176.300 0.071 0.000 2.045 32 D CA 0.000 54.043 54.000 0.071 0.000 0.868 32 D CB 0.000 40.861 40.800 0.101 0.000 0.688 33 V N -0.741 119.203 119.914 0.049 0.000 2.726 33 V HA 0.077 4.197 4.120 -0.000 0.000 0.304 33 V C 0.325 176.438 176.094 0.032 0.000 1.115 33 V CA -0.282 62.035 62.300 0.029 0.000 1.264 33 V CB -0.202 31.627 31.823 0.009 0.000 0.867 33 V HN 0.294 nan 8.190 nan 0.000 0.498 34 V N 6.266 126.199 119.914 0.032 0.000 2.339 34 V HA 0.178 4.297 4.120 -0.000 0.000 0.261 34 V C 0.522 176.621 176.094 0.007 0.000 1.058 34 V CA -0.417 61.910 62.300 0.044 0.000 0.897 34 V CB 0.845 32.706 31.823 0.063 0.000 1.052 34 V HN 0.822 nan 8.190 nan 0.000 0.480 35 V N 7.198 127.086 119.914 -0.043 0.000 2.673 35 V HA 0.331 4.451 4.120 -0.000 0.000 0.303 35 V C 0.380 176.410 176.094 -0.106 0.000 1.046 35 V CA 0.101 62.300 62.300 -0.168 0.000 1.126 35 V CB 0.402 32.006 31.823 -0.364 0.000 0.934 35 V HN 1.120 nan 8.190 nan 0.000 0.487 36 R N 3.535 123.972 120.500 -0.105 0.000 2.716 36 R HA 0.596 4.936 4.340 -0.000 0.000 0.271 36 R C -1.344 174.987 176.300 0.051 0.000 1.028 36 R CA -1.058 55.116 56.100 0.122 0.000 0.883 36 R CB 0.350 30.721 30.300 0.118 0.000 1.250 36 R HN 0.391 nan 8.270 nan 0.000 0.465 37 L N 1.327 122.664 121.223 0.189 0.000 2.506 37 L HA 0.221 4.560 4.340 -0.000 0.000 0.281 37 L C -1.658 175.151 176.870 -0.103 0.000 1.228 37 L CA -1.445 53.419 54.840 0.040 0.000 0.850 37 L CB 0.152 42.250 42.059 0.066 0.000 1.110 37 L HN 0.435 nan 8.230 nan 0.000 0.496 38 P HA -0.055 nan 4.420 nan 0.000 0.256 38 P C -0.554 176.660 177.300 -0.145 0.000 1.189 38 P CA 0.293 63.245 63.100 -0.246 0.000 0.808 38 P CB 0.197 31.616 31.700 -0.469 0.000 0.793 39 D N 2.255 122.585 120.400 -0.117 0.000 2.433 39 D HA -0.021 4.619 4.640 -0.000 0.000 0.211 39 D C 1.085 177.308 176.300 -0.128 0.000 1.114 39 D CA -0.176 53.754 54.000 -0.117 0.000 0.837 39 D CB -0.565 40.188 40.800 -0.077 0.000 0.984 39 D HN 0.159 nan 8.370 nan 0.000 0.505 40 V N 1.358 121.200 119.914 -0.120 0.000 2.277 40 V HA 0.160 4.280 4.120 -0.000 0.000 0.203 40 V C 1.192 177.201 176.094 -0.142 0.000 0.984 40 V CA 1.439 63.679 62.300 -0.100 0.000 1.076 40 V CB -0.629 31.158 31.823 -0.059 0.000 0.681 40 V HN 0.235 nan 8.190 nan 0.000 0.468 41 A N 0.866 123.601 122.820 -0.142 0.000 3.074 41 A HA 0.458 4.778 4.320 -0.000 0.000 0.251 41 A C 0.129 177.455 177.584 -0.430 0.000 1.695 41 A CA -0.119 51.818 52.037 -0.167 0.000 1.343 41 A CB -1.265 17.710 19.000 -0.042 0.000 1.078 41 A HN 0.490 nan 8.150 nan 0.000 0.644 42 V N 1.955 121.570 119.914 -0.498 0.000 2.508 42 V HA 0.134 4.254 4.120 -0.000 0.000 0.281 42 V C -1.967 173.691 176.094 -0.727 0.000 1.041 42 V CA -1.187 60.654 62.300 -0.766 0.000 1.016 42 V CB 0.675 32.212 31.823 -0.475 0.000 0.984 42 V HN 0.524 nan 8.190 nan 0.000 0.478 43 P HA 0.188 nan 4.420 nan 0.000 0.265 43 P C 0.427 177.374 177.300 -0.588 0.000 1.193 43 P CA 0.420 62.779 63.100 -1.235 0.000 0.765 43 P CB 0.558 31.484 31.700 -1.289 0.000 0.823 44 G N 1.960 110.526 108.800 -0.389 0.000 2.510 44 G HA2 0.236 4.196 3.960 -0.000 0.000 0.280 44 G HA3 0.236 4.196 3.960 -0.000 0.000 0.280 44 G C -0.574 174.193 174.900 -0.222 0.000 1.386 44 G CA -0.428 44.541 45.100 -0.219 0.000 1.047 44 G HN 0.356 nan 8.290 nan 0.000 0.527 45 E N -0.090 120.004 120.200 -0.177 0.000 2.229 45 E HA 0.368 4.718 4.350 -0.000 0.000 0.283 45 E C 1.110 177.584 176.600 -0.210 0.000 1.030 45 E CA -0.190 56.070 56.400 -0.234 0.000 0.836 45 E CB 1.559 31.194 29.700 -0.108 0.000 1.068 45 E HN 0.399 nan 8.360 nan 0.000 0.401 46 A N 3.267 125.886 122.820 -0.335 0.000 1.898 46 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 46 A C 0.917 178.355 177.584 -0.243 0.000 1.181 46 A CA 1.054 52.960 52.037 -0.219 0.000 0.620 46 A CB 0.439 19.310 19.000 -0.215 0.000 0.819 46 A HN 0.379 nan 8.150 nan 0.000 0.442 47 V N -1.367 118.446 119.914 -0.168 0.000 3.225 47 V HA 0.402 4.522 4.120 -0.000 0.000 0.293 47 V C -2.264 173.798 176.094 -0.053 0.000 1.405 47 V CA -0.977 61.219 62.300 -0.174 0.000 1.038 47 V CB 2.216 33.821 31.823 -0.363 0.000 1.123 47 V HN 0.387 nan 8.190 nan 0.000 0.447 48 Q N 2.737 122.505 119.800 -0.054 0.000 2.316 48 Q HA 0.670 5.010 4.340 -0.000 0.000 0.264 48 Q C 0.065 176.035 176.000 -0.050 0.000 0.987 48 Q CA -0.103 55.681 55.803 -0.031 0.000 0.852 48 Q CB 1.821 30.546 28.738 -0.023 0.000 1.287 48 Q HN 1.154 nan 8.270 nan 0.000 0.448 49 A N 2.566 125.350 122.820 -0.060 0.000 2.565 49 A HA 0.220 4.539 4.320 -0.000 0.000 0.237 49 A C 0.377 177.923 177.584 -0.064 0.000 1.053 49 A CA 0.311 52.305 52.037 -0.072 0.000 0.755 49 A CB 0.238 19.172 19.000 -0.108 0.000 0.980 49 A HN 0.733 nan 8.150 nan 0.000 0.506 50 S N 0.468 116.136 115.700 -0.052 0.000 2.414 50 S HA 0.638 5.107 4.470 -0.000 0.000 0.267 50 S C 0.848 175.417 174.600 -0.052 0.000 1.165 50 S CA 0.027 58.202 58.200 -0.043 0.000 1.028 50 S CB 0.273 63.457 63.200 -0.025 0.000 1.154 50 S HN 1.394 nan 8.310 nan 0.000 0.472 51 A N 0.639 123.437 122.820 -0.037 0.000 2.454 51 A HA 0.439 4.759 4.320 -0.000 0.000 0.260 51 A C 0.247 177.809 177.584 -0.036 0.000 1.106 51 A CA -0.105 51.910 52.037 -0.036 0.000 0.780 51 A CB -0.612 18.375 19.000 -0.021 0.000 1.044 51 A HN 0.726 nan 8.150 nan 0.000 0.498 52 R N 0.327 120.799 120.500 -0.046 0.000 3.205 52 R HA -0.200 4.140 4.340 -0.000 0.000 0.249 52 R C -0.271 176.007 176.300 -0.035 0.000 0.937 52 R CA 1.387 57.468 56.100 -0.033 0.000 0.641 52 R CB -1.974 28.323 30.300 -0.005 0.000 1.114 52 R HN 1.053 nan 8.270 nan 0.000 0.451 53 Q N -1.530 118.222 119.800 -0.080 0.000 2.594 53 Q HA 0.756 5.096 4.340 -0.000 0.000 0.278 53 Q C -1.928 173.995 176.000 -0.129 0.000 0.961 53 Q CA -0.832 54.933 55.803 -0.064 0.000 0.844 53 Q CB 1.956 30.676 28.738 -0.030 0.000 1.475 53 Q HN 0.211 nan 8.270 nan 0.000 0.389 54 A N 1.134 123.903 122.820 -0.085 0.000 2.393 54 A HA 0.767 5.086 4.320 -0.000 0.000 0.306 54 A C -0.613 176.945 177.584 -0.043 0.000 1.050 54 A CA -0.433 51.538 52.037 -0.109 0.000 0.724 54 A CB 1.888 20.836 19.000 -0.086 0.000 1.248 54 A HN 1.105 nan 8.150 nan 0.000 0.424 55 V N 0.405 120.273 119.914 -0.076 0.000 2.483 55 V HA 0.855 4.975 4.120 -0.000 0.000 0.295 55 V C -0.518 175.483 176.094 -0.156 0.000 1.035 55 V CA -0.731 61.517 62.300 -0.087 0.000 0.896 55 V CB 1.251 32.972 31.823 -0.171 0.000 0.986 55 V HN 0.946 nan 8.190 nan 0.000 0.447 56 I N 4.175 124.712 120.570 -0.056 0.000 2.418 56 I HA 0.582 4.752 4.170 -0.000 0.000 0.287 56 I C -0.312 175.859 176.117 0.089 0.000 1.008 56 I CA -0.232 61.063 61.300 -0.008 0.000 1.104 56 I CB 1.224 39.269 38.000 0.074 0.000 1.264 56 I HN 0.784 nan 8.210 nan 0.000 0.438 57 H N 7.014 126.221 119.070 0.230 0.000 2.472 57 H HA 0.456 5.012 4.556 -0.000 0.000 0.335 57 H C -0.877 174.593 175.328 0.236 0.000 1.136 57 H CA -0.720 55.464 56.048 0.227 0.000 1.264 57 H CB 2.301 32.146 29.762 0.139 0.000 1.486 57 H HN 0.508 nan 8.280 nan 0.000 0.517 58 L N 3.521 124.948 121.223 0.340 0.000 2.502 58 L HA 0.187 4.527 4.340 -0.000 0.000 0.247 58 L C -0.764 176.201 176.870 0.159 0.000 1.180 58 L CA -0.553 54.441 54.840 0.257 0.000 0.956 58 L CB 0.105 42.349 42.059 0.309 0.000 1.282 58 L HN 0.299 nan 8.230 nan 0.000 0.470 59 V N 2.674 122.700 119.914 0.186 0.000 2.539 59 V HA -0.084 4.036 4.120 -0.000 0.000 0.294 59 V C 0.467 176.661 176.094 0.168 0.000 0.994 59 V CA 0.330 62.737 62.300 0.178 0.000 1.169 59 V CB -0.082 31.855 31.823 0.190 0.000 0.898 59 V HN 0.708 nan 8.190 nan 0.000 0.471 60 D N 4.828 125.334 120.400 0.176 0.000 2.468 60 D HA 0.238 4.878 4.640 -0.000 0.000 0.218 60 D C 1.387 177.821 176.300 0.222 0.000 1.155 60 D CA -0.440 53.670 54.000 0.183 0.000 0.924 60 D CB 0.448 41.373 40.800 0.207 0.000 1.029 60 D HN 0.565 nan 8.370 nan 0.000 0.515 61 I N 0.804 121.474 120.570 0.166 0.000 2.597 61 I HA -0.233 3.937 4.170 -0.000 0.000 0.262 61 I C 1.737 177.944 176.117 0.150 0.000 1.194 61 I CA 1.001 62.380 61.300 0.131 0.000 1.437 61 I CB -0.376 37.620 38.000 -0.006 0.000 1.096 61 I HN 0.290 nan 8.210 nan 0.000 0.451 62 A N 1.790 124.699 122.820 0.149 0.000 2.259 62 A HA 0.058 4.378 4.320 -0.000 0.000 0.212 62 A C 2.162 179.839 177.584 0.154 0.000 1.178 62 A CA 1.107 53.222 52.037 0.130 0.000 0.734 62 A CB -1.344 17.732 19.000 0.126 0.000 0.774 62 A HN 0.617 nan 8.150 nan 0.000 0.481 63 G N -0.302 108.632 108.800 0.223 0.000 2.882 63 G HA2 0.073 4.033 3.960 -0.000 0.000 0.206 63 G HA3 0.073 4.033 3.960 -0.000 0.000 0.206 63 G C 1.009 176.049 174.900 0.234 0.000 1.155 63 G CA 0.292 45.531 45.100 0.230 0.000 0.800 63 G HN 0.418 nan 8.290 nan 0.000 0.524 64 I N 0.725 121.421 120.570 0.211 0.000 2.567 64 I HA -0.077 4.093 4.170 -0.000 0.000 0.257 64 I C 2.236 178.433 176.117 0.132 0.000 1.184 64 I CA 1.727 63.144 61.300 0.195 0.000 1.451 64 I CB -0.710 37.375 38.000 0.142 0.000 1.089 64 I HN 0.312 nan 8.210 nan 0.000 0.441 65 T N -0.885 113.728 114.554 0.098 0.000 3.313 65 T HA 0.036 4.386 4.350 -0.000 0.000 0.266 65 T C 0.317 175.040 174.700 0.038 0.000 0.987 65 T CA 0.954 63.091 62.100 0.061 0.000 1.086 65 T CB -0.244 68.650 68.868 0.044 0.000 1.159 65 T HN 0.346 nan 8.240 nan 0.000 0.450 66 S N 1.178 116.899 115.700 0.034 0.000 3.583 66 S HA -0.127 4.343 4.470 -0.000 0.000 0.398 66 S C 0.362 174.955 174.600 -0.012 0.000 0.769 66 S CA 0.764 58.967 58.200 0.005 0.000 1.331 66 S CB -1.777 61.411 63.200 -0.020 0.000 1.457 66 S HN 0.676 nan 8.310 nan 0.000 0.608 67 S N 1.474 117.166 115.700 -0.013 0.000 2.701 67 S HA 0.481 4.951 4.470 -0.000 0.000 0.242 67 S C 0.160 174.745 174.600 -0.025 0.000 1.025 67 S CA 0.593 58.783 58.200 -0.017 0.000 1.016 67 S CB 0.602 63.796 63.200 -0.010 0.000 0.977 67 S HN 1.638 nan 8.310 nan 0.000 0.546 68 T N 2.462 116.996 114.554 -0.033 0.000 3.003 68 T HA 0.412 4.762 4.350 -0.000 0.000 0.354 68 T C -3.233 171.430 174.700 -0.061 0.000 1.651 68 T CA -0.962 61.112 62.100 -0.044 0.000 1.103 68 T CB 1.300 70.143 68.868 -0.042 0.000 1.450 68 T HN 0.081 nan 8.240 nan 0.000 0.484 69 P HA 0.483 nan 4.420 nan 0.000 0.265 69 P C -0.183 177.013 177.300 -0.174 0.000 1.222 69 P CA -0.300 62.738 63.100 -0.103 0.000 0.767 69 P CB 0.422 32.073 31.700 -0.081 0.000 0.801 70 A N 3.194 125.844 122.820 -0.283 0.000 2.310 70 A HA 0.197 4.517 4.320 -0.000 0.000 0.260 70 A C 0.095 177.333 177.584 -0.576 0.000 1.112 70 A CA -0.356 51.428 52.037 -0.422 0.000 0.804 70 A CB -0.013 18.674 19.000 -0.522 0.000 1.081 70 A HN 0.590 nan 8.150 nan 0.000 0.499 71 D N -1.122 118.993 120.400 -0.474 0.000 2.412 71 D HA 0.456 5.096 4.640 -0.000 0.000 0.224 71 D C -0.969 175.154 176.300 -0.296 0.000 1.093 71 D CA -0.069 53.734 54.000 -0.328 0.000 0.850 71 D CB 0.169 40.880 40.800 -0.148 0.000 1.046 71 D HN 0.330 nan 8.370 nan 0.000 0.507 72 Y N 2.645 122.930 120.300 -0.025 0.000 2.658 72 Y HA 0.385 4.935 4.550 -0.000 0.000 0.276 72 Y C 1.698 177.586 175.900 -0.020 0.000 1.167 72 Y CA -0.374 57.712 58.100 -0.022 0.000 1.230 72 Y CB -0.075 38.340 38.460 -0.076 0.000 1.144 72 Y HN 0.535 nan 8.280 nan 0.000 0.529 73 A N 0.106 122.975 122.820 0.082 0.000 1.873 73 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 73 A C 2.023 179.654 177.584 0.078 0.000 1.186 73 A CA 2.026 54.096 52.037 0.054 0.000 0.616 73 A CB -0.985 18.024 19.000 0.015 0.000 0.823 73 A HN 0.363 nan 8.150 nan 0.000 0.442 74 T N -2.067 112.534 114.554 0.079 0.000 3.406 74 T HA 0.352 4.702 4.350 -0.000 0.000 0.244 74 T C 0.035 174.802 174.700 0.111 0.000 0.949 74 T CA -0.052 62.094 62.100 0.076 0.000 0.926 74 T CB -0.532 68.368 68.868 0.053 0.000 1.089 74 T HN 0.332 nan 8.240 nan 0.000 0.604 75 K N 2.212 122.716 120.400 0.172 0.000 2.426 75 K HA 0.435 4.755 4.320 -0.000 0.000 0.254 75 K C -0.703 176.115 176.600 0.364 0.000 0.936 75 K CA -0.750 55.688 56.287 0.251 0.000 0.801 75 K CB 0.888 33.583 32.500 0.324 0.000 1.139 75 K HN 0.475 nan 8.250 nan 0.000 0.424 76 N N 4.023 122.853 118.700 0.216 0.000 3.157 76 N HA 0.478 5.217 4.740 -0.000 0.000 0.291 76 N C -1.240 174.096 175.510 -0.290 0.000 1.515 76 N CA -0.735 52.379 53.050 0.108 0.000 0.807 76 N CB 1.104 39.618 38.487 0.045 0.000 1.672 76 N HN 0.335 nan 8.380 nan 0.000 0.592 77 L N -0.606 120.350 121.223 -0.446 0.000 2.354 77 L HA 0.450 4.790 4.340 -0.000 0.000 0.264 77 L C -1.440 175.317 176.870 -0.188 0.000 1.008 77 L CA -1.017 53.538 54.840 -0.475 0.000 0.819 77 L CB 1.968 43.553 42.059 -0.790 0.000 1.339 77 L HN 0.574 nan 8.230 nan 0.000 0.420 78 Y N 2.846 123.015 120.300 -0.217 0.000 2.417 78 Y HA 0.577 5.126 4.550 -0.000 0.000 0.336 78 Y C -1.004 174.994 175.900 0.162 0.000 0.961 78 Y CA -0.626 57.432 58.100 -0.070 0.000 1.215 78 Y CB 0.699 39.090 38.460 -0.115 0.000 1.120 78 Y HN 0.322 nan 8.280 nan 0.000 0.499 79 L N 6.491 127.560 121.223 -0.258 0.000 2.331 79 L HA 0.542 4.882 4.340 -0.000 0.000 0.275 79 L C -1.285 175.484 176.870 -0.168 0.000 1.022 79 L CA -0.911 53.812 54.840 -0.196 0.000 0.812 79 L CB 1.493 43.453 42.059 -0.165 0.000 1.257 79 L HN 0.824 nan 8.230 nan 0.000 0.435 80 W N 2.532 123.623 121.300 -0.348 0.000 4.020 80 W HA 0.388 5.048 4.660 -0.000 0.000 0.293 80 W C -1.804 174.630 176.519 -0.142 0.000 1.236 80 W CA -1.116 56.073 57.345 -0.260 0.000 1.265 80 W CB 0.220 29.504 29.460 -0.294 0.000 1.248 80 W HN 0.491 nan 8.180 nan 0.000 0.501 81 N N 3.925 122.561 118.700 -0.106 0.000 2.469 81 N HA 0.499 5.239 4.740 -0.000 0.000 0.253 81 N C -0.306 175.189 175.510 -0.025 0.000 0.970 81 N CA -0.551 52.403 53.050 -0.161 0.000 0.940 81 N CB 1.167 39.580 38.487 -0.123 0.000 1.128 81 N HN 0.625 nan 8.380 nan 0.000 0.503 82 N N 1.938 120.625 118.700 -0.021 0.000 3.293 82 N HA 0.151 4.891 4.740 -0.000 0.000 0.301 82 N C 0.570 176.084 175.510 0.007 0.000 1.491 82 N CA -0.435 52.648 53.050 0.055 0.000 0.769 82 N CB 0.110 38.704 38.487 0.177 0.000 2.393 82 N HN 0.572 nan 8.380 nan 0.000 0.487 83 E N 0.812 121.031 120.200 0.031 0.000 1.983 83 E HA -0.186 4.163 4.350 -0.000 0.000 0.208 83 E C 1.535 178.121 176.600 -0.024 0.000 1.006 83 E CA 2.146 58.551 56.400 0.008 0.000 0.872 83 E CB -1.315 28.400 29.700 0.025 0.000 0.806 83 E HN 0.491 nan 8.360 nan 0.000 0.510 84 T N 0.250 114.790 114.554 -0.023 0.000 2.649 84 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 84 T C 0.822 175.460 174.700 -0.103 0.000 1.036 84 T CA 1.406 63.475 62.100 -0.052 0.000 1.157 84 T CB -0.368 68.475 68.868 -0.042 0.000 0.861 84 T HN 0.324 nan 8.240 nan 0.000 0.445 85 c N 2.450 120.965 118.600 -0.142 0.000 2.396 85 c HA 0.526 5.096 4.570 -0.000 0.000 0.321 85 c C -0.059 173.909 174.090 -0.203 0.000 1.233 85 c CA -1.228 54.972 56.329 -0.215 0.000 1.440 85 c CB 1.382 43.711 42.510 -0.303 0.000 2.110 85 c HN 0.628 nan 8.230 nan 0.000 0.473 86 D N 0.968 121.262 120.400 -0.176 0.000 2.914 86 D HA 0.134 4.774 4.640 -0.000 0.000 0.349 86 D C 0.718 176.952 176.300 -0.109 0.000 1.540 86 D CA -0.201 53.723 54.000 -0.127 0.000 0.778 86 D CB -0.110 40.647 40.800 -0.073 0.000 1.213 86 D HN 0.522 nan 8.370 nan 0.000 0.451 87 A N 0.387 123.118 122.820 -0.148 0.000 2.021 87 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 87 A C 1.310 178.887 177.584 -0.011 0.000 1.163 87 A CA 0.120 52.114 52.037 -0.070 0.000 0.676 87 A CB -0.180 18.744 19.000 -0.125 0.000 0.818 87 A HN 0.343 nan 8.150 nan 0.000 0.453 88 L N 0.903 122.091 121.223 -0.059 0.000 2.543 88 L HA 0.044 4.384 4.340 -0.000 0.000 0.285 88 L C 0.622 177.481 176.870 -0.018 0.000 1.236 88 L CA 0.004 54.821 54.840 -0.038 0.000 0.871 88 L CB 0.514 42.516 42.059 -0.096 0.000 1.121 88 L HN 0.218 nan 8.230 nan 0.000 0.501 89 S N 2.881 118.581 115.700 -0.001 0.000 2.498 89 S HA 0.589 5.059 4.470 -0.000 0.000 0.324 89 S C 0.150 174.751 174.600 0.002 0.000 1.071 89 S CA -0.013 58.190 58.200 0.004 0.000 1.113 89 S CB 0.770 63.979 63.200 0.015 0.000 0.976 89 S HN 0.943 nan 8.310 nan 0.000 0.462 90 A N 4.874 127.694 122.820 0.001 0.000 2.360 90 A HA -0.075 4.244 4.320 -0.000 0.000 0.289 90 A C -1.498 176.084 177.584 -0.002 0.000 1.437 90 A CA 0.223 52.263 52.037 0.004 0.000 0.734 90 A CB -2.070 16.935 19.000 0.009 0.000 1.145 90 A HN 0.669 nan 8.150 nan 0.000 0.374 91 P HA 0.488 nan 4.420 nan 0.000 0.306 91 P C 0.638 177.926 177.300 -0.020 0.000 1.301 91 P CA 0.328 63.409 63.100 -0.031 0.000 0.744 91 P CB 0.192 31.866 31.700 -0.044 0.000 1.400 92 V N -3.988 115.900 119.914 -0.044 0.000 2.644 92 V HA 0.595 4.715 4.120 -0.000 0.000 0.295 92 V C 0.991 177.107 176.094 0.036 0.000 1.053 92 V CA -0.082 62.215 62.300 -0.005 0.000 0.987 92 V CB 0.070 31.890 31.823 -0.005 0.000 1.006 92 V HN 0.781 nan 8.190 nan 0.000 0.472 93 A N 3.801 126.664 122.820 0.071 0.000 2.385 93 A HA 0.151 4.470 4.320 -0.000 0.000 0.197 93 A C 0.843 178.526 177.584 0.166 0.000 1.531 93 A CA 0.926 53.019 52.037 0.093 0.000 0.620 93 A CB -0.683 18.360 19.000 0.072 0.000 1.090 93 A HN 1.089 nan 8.150 nan 0.000 0.497 94 D N -1.456 119.039 120.400 0.158 0.000 2.329 94 D HA -0.038 4.602 4.640 -0.000 0.000 0.246 94 D C 0.781 177.240 176.300 0.266 0.000 1.111 94 D CA -0.647 53.473 54.000 0.200 0.000 0.941 94 D CB 0.474 41.352 40.800 0.129 0.000 1.169 94 D HN 0.676 nan 8.370 nan 0.000 0.441 95 W N 2.045 123.361 121.300 0.026 0.000 2.387 95 W HA -0.140 4.520 4.660 -0.000 0.000 0.272 95 W C 0.206 176.672 176.519 -0.089 0.000 1.224 95 W CA 0.590 57.826 57.345 -0.182 0.000 1.210 95 W CB -0.208 29.009 29.460 -0.404 0.000 1.125 95 W HN 0.352 nan 8.180 nan 0.000 0.572 96 N N 1.359 120.139 118.700 0.133 0.000 2.434 96 N HA -0.081 4.659 4.740 -0.000 0.000 0.196 96 N C -0.760 174.746 175.510 -0.006 0.000 1.183 96 N CA 0.690 53.777 53.050 0.060 0.000 0.849 96 N CB -0.331 38.213 38.487 0.094 0.000 0.992 96 N HN 0.160 nan 8.380 nan 0.000 0.460 97 D N 0.137 120.526 120.400 -0.019 0.000 2.277 97 D HA 0.114 4.754 4.640 -0.000 0.000 0.249 97 D C -0.141 176.127 176.300 -0.054 0.000 1.134 97 D CA -0.169 53.827 54.000 -0.007 0.000 0.863 97 D CB 1.316 42.139 40.800 0.039 0.000 1.143 97 D HN -0.232 nan 8.370 nan 0.000 0.458 98 V N 3.731 123.628 119.914 -0.028 0.000 2.841 98 V HA 0.147 4.266 4.120 -0.000 0.000 0.363 98 V C 0.729 176.832 176.094 0.016 0.000 1.330 98 V CA 0.563 62.848 62.300 -0.026 0.000 1.207 98 V CB 0.022 31.829 31.823 -0.027 0.000 1.318 98 V HN 0.674 nan 8.190 nan 0.000 0.603 99 S N -1.756 113.959 115.700 0.025 0.000 2.511 99 S HA 0.037 4.507 4.470 -0.000 0.000 0.214 99 S C 1.051 175.694 174.600 0.073 0.000 0.997 99 S CA 0.460 58.686 58.200 0.044 0.000 0.908 99 S CB 0.074 63.295 63.200 0.035 0.000 0.803 99 S HN 0.483 nan 8.310 nan 0.000 0.504 100 T N 4.460 119.059 114.554 0.075 0.000 4.210 100 T HA 0.160 4.510 4.350 -0.000 0.000 0.229 100 T C 0.648 175.536 174.700 0.314 0.000 0.813 100 T CA 0.380 62.553 62.100 0.122 0.000 0.888 100 T CB -1.242 67.631 68.868 0.008 0.000 1.327 100 T HN 0.716 nan 8.240 nan 0.000 0.739 101 T N 0.359 115.075 114.554 0.269 0.000 2.813 101 T HA 0.274 4.624 4.350 -0.000 0.000 0.297 101 T C -2.605 172.209 174.700 0.190 0.000 1.036 101 T CA -1.880 60.396 62.100 0.294 0.000 1.044 101 T CB 0.146 69.078 68.868 0.107 0.000 0.993 101 T HN -0.039 nan 8.240 nan 0.000 0.535 102 P HA 0.132 nan 4.420 nan 0.000 0.265 102 P C 0.748 177.708 177.300 -0.567 0.000 1.187 102 P CA -0.085 62.435 63.100 -0.967 0.000 0.766 102 P CB 0.213 31.389 31.700 -0.874 0.000 0.820 103 T N 0.176 114.341 114.554 -0.648 0.000 2.985 103 T HA 0.226 4.576 4.350 -0.000 0.000 0.266 103 T C 0.837 175.237 174.700 -0.499 0.000 1.076 103 T CA 1.083 62.957 62.100 -0.377 0.000 1.135 103 T CB -0.210 68.557 68.868 -0.167 0.000 0.890 103 T HN 0.699 nan 8.240 nan 0.000 0.480 104 G N 0.114 108.334 108.800 -0.966 0.000 2.441 104 G HA2 0.514 4.474 3.960 -0.000 0.000 0.294 104 G HA3 0.514 4.474 3.960 -0.000 0.000 0.294 104 G C -1.479 172.909 174.900 -0.854 0.000 1.393 104 G CA -0.144 44.500 45.100 -0.759 0.000 0.796 104 G HN 0.462 nan 8.290 nan 0.000 0.494 105 S N -0.740 114.797 115.700 -0.271 0.000 2.611 105 S HA 0.835 5.305 4.470 -0.000 0.000 0.268 105 S C -1.600 173.065 174.600 0.109 0.000 1.156 105 S CA 0.121 58.285 58.200 -0.059 0.000 0.817 105 S CB 2.542 65.751 63.200 0.015 0.000 1.122 105 S HN 1.542 nan 8.310 nan 0.000 0.466 106 D N -0.594 119.891 120.400 0.142 0.000 2.812 106 D HA 0.377 5.016 4.640 -0.000 0.000 0.318 106 D C 0.833 177.171 176.300 0.064 0.000 1.234 106 D CA -0.694 53.361 54.000 0.092 0.000 0.989 106 D CB 0.128 40.980 40.800 0.087 0.000 1.442 106 D HN 0.540 nan 8.370 nan 0.000 0.537 107 K N -0.312 120.029 120.400 -0.098 0.000 2.281 107 K HA -0.173 4.146 4.320 -0.000 0.000 0.203 107 K C 0.490 176.994 176.600 -0.160 0.000 1.046 107 K CA 1.370 57.539 56.287 -0.195 0.000 0.938 107 K CB -0.727 31.523 32.500 -0.416 0.000 0.737 107 K HN 0.518 nan 8.250 nan 0.000 0.458 108 Y N 0.798 121.155 120.300 0.095 0.000 2.468 108 Y HA 0.346 4.895 4.550 -0.000 0.000 0.268 108 Y C 1.190 177.132 175.900 0.070 0.000 1.177 108 Y CA 0.145 58.299 58.100 0.089 0.000 1.265 108 Y CB 0.449 38.932 38.460 0.037 0.000 1.103 108 Y HN 0.392 nan 8.280 nan 0.000 0.522 109 G N 0.243 109.132 108.800 0.149 0.000 2.440 109 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.684 109 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.684 109 G C -3.183 171.573 174.900 -0.241 0.000 1.309 109 G CA -1.270 43.734 45.100 -0.159 0.000 0.931 109 G HN -0.128 nan 8.290 nan 0.000 0.612 110 P HA 0.628 nan 4.420 nan 0.000 0.282 110 P C -1.185 175.911 177.300 -0.339 0.000 1.287 110 P CA -0.226 62.535 63.100 -0.567 0.000 0.792 110 P CB 0.827 31.998 31.700 -0.882 0.000 1.163 111 Y N -4.108 115.878 120.300 -0.524 0.000 2.581 111 Y HA 0.634 5.184 4.550 -0.000 0.000 0.337 111 Y C -1.747 173.884 175.900 -0.448 0.000 1.108 111 Y CA -1.359 56.563 58.100 -0.295 0.000 1.033 111 Y CB 0.864 39.328 38.460 0.007 0.000 1.318 111 Y HN 0.341 nan 8.280 nan 0.000 0.459 112 W N 2.565 123.914 121.300 0.082 0.000 2.587 112 W HA 0.630 5.290 4.660 -0.000 0.000 0.324 112 W C -1.454 175.102 176.519 0.062 0.000 1.040 112 W CA -1.243 56.117 57.345 0.025 0.000 1.222 112 W CB 2.527 31.975 29.460 -0.020 0.000 1.381 112 W HN 0.422 nan 8.180 nan 0.000 0.483 113 V N 5.747 125.814 119.914 0.255 0.000 2.288 113 V HA 0.238 4.357 4.120 -0.000 0.000 0.266 113 V C 0.213 176.381 176.094 0.124 0.000 1.048 113 V CA -0.422 61.973 62.300 0.159 0.000 0.842 113 V CB 0.294 32.199 31.823 0.136 0.000 1.064 113 V HN 0.295 nan 8.190 nan 0.000 0.472 114 I N 8.197 128.822 120.570 0.092 0.000 2.342 114 I HA 0.343 4.512 4.170 -0.000 0.000 0.291 114 I C -1.911 174.228 176.117 0.036 0.000 1.010 114 I CA -1.932 59.404 61.300 0.060 0.000 1.308 114 I CB 1.883 39.906 38.000 0.037 0.000 1.400 114 I HN 0.369 nan 8.210 nan 0.000 0.488 115 P HA 0.283 nan 4.420 nan 0.000 0.275 115 P C -1.037 176.281 177.300 0.030 0.000 1.228 115 P CA -0.071 63.044 63.100 0.024 0.000 0.786 115 P CB 1.336 33.050 31.700 0.023 0.000 0.927 116 L N 1.388 122.629 121.223 0.031 0.000 2.350 116 L HA 0.418 4.758 4.340 -0.000 0.000 0.260 116 L C 1.777 178.673 176.870 0.044 0.000 1.015 116 L CA -0.585 54.289 54.840 0.057 0.000 0.821 116 L CB 2.097 44.210 42.059 0.091 0.000 1.370 116 L HN 0.356 nan 8.230 nan 0.000 0.416 117 T N -2.743 111.842 114.554 0.053 0.000 3.039 117 T HA 0.130 4.479 4.350 -0.000 0.000 0.250 117 T C 0.268 174.996 174.700 0.046 0.000 1.052 117 T CA 0.193 62.315 62.100 0.037 0.000 1.125 117 T CB 0.092 68.976 68.868 0.025 0.000 0.908 117 T HN 0.608 nan 8.240 nan 0.000 0.473 118 K N 0.317 120.765 120.400 0.079 0.000 2.502 118 K HA 0.479 4.799 4.320 -0.000 0.000 0.257 118 K C -0.781 175.919 176.600 0.167 0.000 0.938 118 K CA -0.824 55.517 56.287 0.091 0.000 0.819 118 K CB 1.944 34.489 32.500 0.076 0.000 1.333 118 K HN -0.102 nan 8.250 nan 0.000 0.434 119 E N 0.755 121.021 120.200 0.111 0.000 2.416 119 E HA 0.002 4.352 4.350 -0.000 0.000 0.189 119 E C -0.302 176.471 176.600 0.288 0.000 1.091 119 E CA -0.026 56.419 56.400 0.075 0.000 0.889 119 E CB 0.592 30.271 29.700 -0.034 0.000 1.015 119 E HN 0.467 nan 8.360 nan 0.000 0.479 120 S N -0.689 115.218 115.700 0.345 0.000 2.536 120 S HA 0.698 5.168 4.470 -0.000 0.000 0.298 120 S C 0.182 174.862 174.600 0.133 0.000 1.083 120 S CA 0.104 58.475 58.200 0.285 0.000 0.995 120 S CB 1.487 64.759 63.200 0.121 0.000 1.058 120 S HN 0.344 nan 8.310 nan 0.000 0.488 121 G N 1.724 110.504 108.800 -0.034 0.000 2.594 121 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.217 121 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.217 121 G C -0.140 174.391 174.900 -0.615 0.000 1.163 121 G CA 0.101 45.048 45.100 -0.255 0.000 1.074 121 G HN 2.210 nan 8.290 nan 0.000 0.589 122 c N -1.284 116.858 118.600 -0.764 0.000 3.275 122 c HA 0.852 5.422 4.570 -0.000 0.000 0.340 122 c C -0.877 172.826 174.090 -0.644 0.000 1.366 122 c CA -0.342 55.476 56.329 -0.853 0.000 1.227 122 c CB 0.582 42.841 42.510 -0.419 0.000 1.512 122 c HN 2.232 nan 8.230 nan 0.000 0.461 123 I N -1.060 119.211 120.570 -0.499 0.000 2.969 123 I HA 0.662 4.832 4.170 -0.000 0.000 0.307 123 I C -1.104 174.748 176.117 -0.441 0.000 1.149 123 I CA -0.982 60.084 61.300 -0.389 0.000 1.008 123 I CB 1.589 39.450 38.000 -0.232 0.000 1.232 123 I HN 0.689 nan 8.210 nan 0.000 0.435 124 N N 2.657 120.952 118.700 -0.675 0.000 2.400 124 N HA 0.761 5.501 4.740 -0.000 0.000 0.288 124 N C -1.105 173.847 175.510 -0.929 0.000 1.024 124 N CA -0.369 52.050 53.050 -1.051 0.000 0.894 124 N CB 2.463 39.671 38.487 -2.132 0.000 1.173 124 N HN 0.543 nan 8.380 nan 0.000 0.487 125 V N 1.901 121.500 119.914 -0.526 0.000 3.114 125 V HA 0.559 4.679 4.120 -0.000 0.000 0.308 125 V C -0.420 175.769 176.094 0.158 0.000 1.168 125 V CA -0.731 61.477 62.300 -0.153 0.000 1.015 125 V CB 2.730 34.452 31.823 -0.168 0.000 1.050 125 V HN 0.503 nan 8.190 nan 0.000 0.433 126 I N 2.098 122.804 120.570 0.226 0.000 2.560 126 I HA 0.265 4.435 4.170 -0.000 0.000 0.278 126 I C -0.594 175.538 176.117 0.024 0.000 1.089 126 I CA -0.571 60.868 61.300 0.233 0.000 1.086 126 I CB 1.942 40.208 38.000 0.444 0.000 1.202 126 I HN 0.318 nan 8.210 nan 0.000 0.471 127 V N 6.914 126.800 119.914 -0.046 0.000 2.540 127 V HA 0.211 4.331 4.120 -0.000 0.000 0.297 127 V C 0.645 176.696 176.094 -0.071 0.000 1.024 127 V CA 0.353 62.572 62.300 -0.136 0.000 1.105 127 V CB 0.045 31.823 31.823 -0.075 0.000 0.938 127 V HN 0.707 nan 8.190 nan 0.000 0.482 128 R N 3.069 123.498 120.500 -0.117 0.000 3.045 128 R HA 0.613 4.953 4.340 -0.000 0.000 0.245 128 R C -1.065 175.229 176.300 -0.011 0.000 1.333 128 R CA -0.956 55.100 56.100 -0.074 0.000 1.036 128 R CB 1.144 31.325 30.300 -0.198 0.000 1.340 128 R HN 0.586 nan 8.270 nan 0.000 0.488 129 D N -0.666 119.734 120.400 0.000 0.000 2.846 129 D HA 0.269 4.909 4.640 -0.000 0.000 0.279 129 D C 0.393 176.705 176.300 0.020 0.000 1.222 129 D CA 0.747 54.775 54.000 0.046 0.000 0.769 129 D CB 0.438 41.282 40.800 0.073 0.000 1.299 129 D HN 0.738 nan 8.370 nan 0.000 0.537 130 G N 1.195 109.986 108.800 -0.014 0.000 3.922 130 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.208 130 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.208 130 G C 0.863 175.707 174.900 -0.092 0.000 1.491 130 G CA 0.543 45.626 45.100 -0.027 0.000 1.017 130 G HN 0.473 nan 8.290 nan 0.000 0.603 131 T N 0.521 115.036 114.554 -0.064 0.000 3.270 131 T HA 0.203 4.552 4.350 -0.000 0.000 0.279 131 T C 0.040 174.809 174.700 0.115 0.000 0.857 131 T CA 0.281 62.344 62.100 -0.061 0.000 0.849 131 T CB 0.286 69.204 68.868 0.084 0.000 1.241 131 T HN 0.443 nan 8.240 nan 0.000 0.663 132 N N 2.646 121.396 118.700 0.084 0.000 2.444 132 N HA 0.300 5.040 4.740 -0.000 0.000 0.271 132 N C -0.461 175.119 175.510 0.117 0.000 1.069 132 N CA -0.273 52.856 53.050 0.131 0.000 0.965 132 N CB 0.620 39.157 38.487 0.085 0.000 1.092 132 N HN 0.161 nan 8.380 nan 0.000 0.476 133 K N 2.356 122.872 120.400 0.193 0.000 2.250 133 K HA -0.024 4.296 4.320 -0.000 0.000 0.277 133 K C 0.932 177.591 176.600 0.098 0.000 1.091 133 K CA 0.000 56.388 56.287 0.168 0.000 1.046 133 K CB 0.202 32.826 32.500 0.207 0.000 0.982 133 K HN 0.548 nan 8.250 nan 0.000 0.429 134 L N 3.111 124.374 121.223 0.067 0.000 2.187 134 L HA -0.095 4.245 4.340 -0.000 0.000 0.213 134 L C 0.458 177.369 176.870 0.069 0.000 1.100 134 L CA 1.361 56.240 54.840 0.065 0.000 0.765 134 L CB 0.221 42.316 42.059 0.059 0.000 0.904 134 L HN 0.565 nan 8.230 nan 0.000 0.437 135 I N -1.094 119.519 120.570 0.073 0.000 2.608 135 I HA 0.148 4.318 4.170 -0.000 0.000 0.295 135 I C -0.990 175.177 176.117 0.082 0.000 1.049 135 I CA -0.745 60.598 61.300 0.072 0.000 1.063 135 I CB 1.879 39.919 38.000 0.066 0.000 1.248 135 I HN -0.176 nan 8.210 nan 0.000 0.424 136 D N 4.056 124.497 120.400 0.069 0.000 2.631 136 D HA 0.391 5.031 4.640 -0.000 0.000 0.227 136 D C -0.428 175.910 176.300 0.064 0.000 1.146 136 D CA 0.340 54.378 54.000 0.063 0.000 1.009 136 D CB 0.524 41.352 40.800 0.046 0.000 1.057 136 D HN 0.364 nan 8.370 nan 0.000 0.509 137 S N 0.631 116.383 115.700 0.086 0.000 2.678 137 S HA 0.070 4.540 4.470 -0.000 0.000 0.290 137 S C -1.843 172.846 174.600 0.147 0.000 1.047 137 S CA -0.915 57.340 58.200 0.092 0.000 0.851 137 S CB 0.851 64.090 63.200 0.065 0.000 1.058 137 S HN 0.072 nan 8.310 nan 0.000 0.451 138 D N 3.385 123.894 120.400 0.181 0.000 2.619 138 D HA 0.242 4.882 4.640 -0.000 0.000 0.224 138 D C -0.106 176.305 176.300 0.185 0.000 1.133 138 D CA -0.136 54.058 54.000 0.323 0.000 1.017 138 D CB -0.071 40.985 40.800 0.426 0.000 1.077 138 D HN 0.335 nan 8.370 nan 0.000 0.503 139 L N 1.379 122.667 121.223 0.107 0.000 2.615 139 L HA -0.098 4.241 4.340 -0.000 0.000 0.284 139 L C 1.110 177.938 176.870 -0.071 0.000 1.237 139 L CA 1.040 55.882 54.840 0.004 0.000 0.905 139 L CB -0.051 41.993 42.059 -0.025 0.000 1.149 139 L HN -0.012 nan 8.230 nan 0.000 0.499 140 R N 2.656 123.106 120.500 -0.084 0.000 2.358 140 R HA 0.438 4.777 4.340 -0.000 0.000 0.309 140 R C -1.243 174.987 176.300 -0.117 0.000 1.026 140 R CA -0.710 55.307 56.100 -0.138 0.000 0.909 140 R CB 1.331 31.568 30.300 -0.105 0.000 1.153 140 R HN 0.307 nan 8.270 nan 0.000 0.515 141 V N 3.140 122.965 119.914 -0.147 0.000 2.405 141 V HA 0.079 4.199 4.120 -0.000 0.000 0.264 141 V C 0.487 176.548 176.094 -0.056 0.000 1.048 141 V CA -0.264 61.978 62.300 -0.096 0.000 0.966 141 V CB 0.832 32.605 31.823 -0.084 0.000 1.015 141 V HN 0.784 nan 8.190 nan 0.000 0.477 142 S N 4.751 120.496 115.700 0.076 0.000 2.457 142 S HA 0.485 4.955 4.470 -0.000 0.000 0.289 142 S C 0.390 175.172 174.600 0.304 0.000 1.163 142 S CA -0.617 57.604 58.200 0.036 0.000 1.078 142 S CB 0.547 63.777 63.200 0.050 0.000 0.987 142 S HN 0.517 nan 8.310 nan 0.000 0.482 143 F N 1.487 121.481 119.950 0.074 0.000 2.771 143 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 143 F C 2.533 178.370 175.800 0.061 0.000 1.177 143 F CA 0.039 58.085 58.000 0.077 0.000 1.450 143 F CB -0.084 38.935 39.000 0.031 0.000 1.114 143 F HN 0.767 nan 8.300 nan 0.000 0.587 144 S N -0.580 115.240 115.700 0.200 0.000 2.406 144 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 144 S C 1.127 175.746 174.600 0.032 0.000 1.030 144 S CA 1.033 59.288 58.200 0.091 0.000 0.958 144 S CB -0.303 62.921 63.200 0.040 0.000 0.811 144 S HN 0.229 nan 8.310 nan 0.000 0.489 145 D N 0.502 120.918 120.400 0.026 0.000 2.240 145 D HA 0.207 4.847 4.640 -0.000 0.000 0.206 145 D C -0.495 175.521 176.300 -0.472 0.000 0.963 145 D CA 0.634 54.493 54.000 -0.234 0.000 0.863 145 D CB -0.010 40.619 40.800 -0.285 0.000 0.973 145 D HN 0.462 nan 8.370 nan 0.000 0.501 146 F N 0.228 120.224 119.950 0.077 0.000 2.453 146 F HA 0.270 4.797 4.527 -0.000 0.000 0.358 146 F C 1.483 177.319 175.800 0.061 0.000 1.129 146 F CA -0.640 57.402 58.000 0.069 0.000 1.200 146 F CB 1.068 40.115 39.000 0.079 0.000 1.431 146 F HN -0.266 nan 8.300 nan 0.000 0.503 147 T N 0.398 115.028 114.554 0.126 0.000 2.699 147 T HA -0.273 4.077 4.350 -0.000 0.000 0.268 147 T C 1.660 176.369 174.700 0.015 0.000 1.036 147 T CA 2.633 64.775 62.100 0.070 0.000 1.147 147 T CB -0.274 68.612 68.868 0.029 0.000 0.862 147 T HN 0.636 nan 8.240 nan 0.000 0.446 148 D N 0.144 120.565 120.400 0.034 0.000 2.378 148 D HA -0.071 4.569 4.640 -0.000 0.000 0.222 148 D C 1.043 177.302 176.300 -0.067 0.000 0.980 148 D CA 0.235 54.228 54.000 -0.011 0.000 0.907 148 D CB -0.643 40.172 40.800 0.025 0.000 0.899 148 D HN 0.525 nan 8.370 nan 0.000 0.527 149 R N -1.524 118.935 120.500 -0.068 0.000 3.741 149 R HA -0.146 4.194 4.340 -0.000 0.000 0.292 149 R C -0.659 175.582 176.300 -0.099 0.000 1.176 149 R CA 1.127 57.115 56.100 -0.186 0.000 0.794 149 R CB -3.012 26.935 30.300 -0.587 0.000 1.213 149 R HN 0.244 nan 8.270 nan 0.000 0.494 150 T N 0.732 115.279 114.554 -0.012 0.000 2.912 150 T HA 0.485 4.835 4.350 -0.000 0.000 0.326 150 T C 0.177 174.898 174.700 0.035 0.000 1.080 150 T CA -0.444 61.652 62.100 -0.007 0.000 1.000 150 T CB 1.443 70.332 68.868 0.036 0.000 1.008 150 T HN 0.232 nan 8.240 nan 0.000 0.473 151 V N 0.659 120.549 119.914 -0.040 0.000 3.113 151 V HA 0.977 5.097 4.120 -0.000 0.000 0.316 151 V C -0.405 175.737 176.094 0.080 0.000 1.125 151 V CA -0.878 61.387 62.300 -0.058 0.000 1.026 151 V CB 2.327 33.939 31.823 -0.352 0.000 1.080 151 V HN 0.639 nan 8.190 nan 0.000 0.444 152 S N 0.623 116.408 115.700 0.142 0.000 2.547 152 S HA 0.842 5.311 4.470 -0.000 0.000 0.281 152 S C -0.415 174.315 174.600 0.217 0.000 1.118 152 S CA -0.318 58.025 58.200 0.239 0.000 0.947 152 S CB 1.629 64.999 63.200 0.283 0.000 1.053 152 S HN 1.571 nan 8.310 nan 0.000 0.482 153 V N 0.459 120.492 119.914 0.199 0.000 3.158 153 V HA 0.792 4.912 4.120 -0.000 0.000 0.315 153 V C -0.801 175.413 176.094 0.199 0.000 1.148 153 V CA -0.904 61.500 62.300 0.173 0.000 1.042 153 V CB 1.223 33.098 31.823 0.087 0.000 1.101 153 V HN 0.848 nan 8.190 nan 0.000 0.448 154 I N 0.123 120.798 120.570 0.175 0.000 2.934 154 I HA 0.695 4.864 4.170 -0.000 0.000 0.306 154 I C 0.367 176.554 176.117 0.117 0.000 1.110 154 I CA -1.120 60.273 61.300 0.155 0.000 1.019 154 I CB 2.067 40.168 38.000 0.168 0.000 1.227 154 I HN 0.915 nan 8.210 nan 0.000 0.434 155 A N 3.248 126.130 122.820 0.103 0.000 2.496 155 A HA 0.436 4.756 4.320 -0.000 0.000 0.278 155 A C 0.970 178.599 177.584 0.075 0.000 1.137 155 A CA 0.657 52.746 52.037 0.087 0.000 0.805 155 A CB -1.197 17.852 19.000 0.083 0.000 1.077 155 A HN 1.344 nan 8.150 nan 0.000 0.513 156 G N 2.452 111.296 108.800 0.072 0.000 2.374 156 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.289 156 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.289 156 G C 0.359 175.299 174.900 0.068 0.000 1.004 156 G CA 0.397 45.535 45.100 0.064 0.000 1.292 156 G HN 1.015 nan 8.290 nan 0.000 0.502 157 N N -0.118 118.627 118.700 0.075 0.000 2.075 157 N HA 0.035 4.775 4.740 -0.000 0.000 0.226 157 N C 0.920 176.467 175.510 0.063 0.000 1.343 157 N CA 1.041 54.144 53.050 0.088 0.000 0.881 157 N CB 0.500 39.070 38.487 0.139 0.000 1.100 157 N HN 1.041 nan 8.380 nan 0.000 0.495 158 S N 0.203 115.930 115.700 0.044 0.000 3.356 158 S HA -0.083 4.387 4.470 -0.000 0.000 0.376 158 S C -0.444 174.145 174.600 -0.018 0.000 0.924 158 S CA 0.640 58.852 58.200 0.021 0.000 1.316 158 S CB -1.683 61.536 63.200 0.032 0.000 0.922 158 S HN 0.737 nan 8.310 nan 0.000 0.553 159 A N 2.116 124.892 122.820 -0.072 0.000 2.583 159 A HA 0.656 4.976 4.320 -0.000 0.000 0.292 159 A C -0.954 176.430 177.584 -0.333 0.000 1.045 159 A CA -0.258 51.652 52.037 -0.212 0.000 0.672 159 A CB 1.510 20.337 19.000 -0.287 0.000 1.283 159 A HN 1.130 nan 8.150 nan 0.000 0.419 160 V N 1.540 121.207 119.914 -0.411 0.000 2.487 160 V HA 0.616 4.736 4.120 -0.000 0.000 0.298 160 V C -1.242 174.590 176.094 -0.436 0.000 1.028 160 V CA -0.423 61.640 62.300 -0.395 0.000 0.860 160 V CB 1.174 32.778 31.823 -0.365 0.000 0.991 160 V HN 0.761 nan 8.190 nan 0.000 0.427 161 Y N 1.104 121.408 120.300 0.006 0.000 2.509 161 Y HA 0.416 4.966 4.550 -0.000 0.000 0.341 161 Y C 0.951 176.949 175.900 0.163 0.000 1.038 161 Y CA -1.158 57.039 58.100 0.162 0.000 1.089 161 Y CB 1.337 39.875 38.460 0.131 0.000 1.241 161 Y HN 0.575 nan 8.280 nan 0.000 0.468 162 D N 0.340 121.085 120.400 0.574 0.000 2.336 162 D HA 0.090 4.730 4.640 -0.000 0.000 0.229 162 D C -0.599 175.864 176.300 0.271 0.000 1.061 162 D CA 0.463 54.758 54.000 0.490 0.000 0.875 162 D CB 0.153 41.246 40.800 0.489 0.000 0.904 162 D HN 0.476 nan 8.370 nan 0.000 0.525 163 S N -2.372 113.470 115.700 0.238 0.000 2.597 163 S HA 0.330 4.800 4.470 -0.000 0.000 0.274 163 S C 0.495 175.154 174.600 0.099 0.000 1.132 163 S CA -0.954 57.326 58.200 0.134 0.000 0.835 163 S CB 1.121 64.360 63.200 0.065 0.000 1.092 163 S HN -0.025 nan 8.310 nan 0.000 0.457 164 R N 0.468 120.971 120.500 0.005 0.000 2.189 164 R HA 0.058 4.398 4.340 -0.000 0.000 0.218 164 R C 2.289 178.567 176.300 -0.037 0.000 1.074 164 R CA 1.174 57.266 56.100 -0.015 0.000 0.991 164 R CB -0.627 29.590 30.300 -0.139 0.000 0.883 164 R HN 0.764 nan 8.270 nan 0.000 0.457 165 A N 1.634 124.403 122.820 -0.085 0.000 1.873 165 A HA -0.178 4.141 4.320 -0.000 0.000 0.215 165 A C 1.466 179.016 177.584 -0.056 0.000 1.186 165 A CA 1.623 53.596 52.037 -0.107 0.000 0.616 165 A CB -0.240 18.688 19.000 -0.121 0.000 0.823 165 A HN 0.110 nan 8.150 nan 0.000 0.442 166 D N 0.075 120.424 120.400 -0.084 0.000 2.097 166 D HA -0.011 4.629 4.640 -0.000 0.000 0.197 166 D C 2.265 178.249 176.300 -0.528 0.000 0.984 166 D CA 1.542 55.407 54.000 -0.224 0.000 0.826 166 D CB -0.501 40.220 40.800 -0.131 0.000 0.973 166 D HN 0.396 nan 8.370 nan 0.000 0.460 167 A N 0.508 123.048 122.820 -0.467 0.000 1.877 167 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 167 A C 2.143 179.678 177.584 -0.082 0.000 1.186 167 A CA 1.153 52.955 52.037 -0.390 0.000 0.620 167 A CB -1.149 17.910 19.000 0.099 0.000 0.822 167 A HN 0.262 nan 8.150 nan 0.000 0.443 168 F N 0.620 120.514 119.950 -0.095 0.000 2.120 168 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 168 F C 2.322 178.198 175.800 0.127 0.000 1.095 168 F CA 2.140 60.154 58.000 0.024 0.000 1.249 168 F CB -0.113 38.855 39.000 -0.053 0.000 0.995 168 F HN 0.127 nan 8.300 nan 0.000 0.480 169 R N -0.353 120.256 120.500 0.182 0.000 2.240 169 R HA 0.110 4.450 4.340 -0.000 0.000 0.203 169 R C 2.273 178.656 176.300 0.138 0.000 1.011 169 R CA 0.617 56.785 56.100 0.113 0.000 1.007 169 R CB -0.437 29.876 30.300 0.023 0.000 0.911 169 R HN 0.337 nan 8.270 nan 0.000 0.468 170 A N 0.959 123.768 122.820 -0.019 0.000 2.121 170 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 170 A C 2.070 179.704 177.584 0.084 0.000 1.154 170 A CA 1.432 53.465 52.037 -0.007 0.000 0.679 170 A CB -0.224 18.688 19.000 -0.146 0.000 0.795 170 A HN 0.334 nan 8.150 nan 0.000 0.458 171 A N -1.942 120.923 122.820 0.075 0.000 2.238 171 A HA 0.392 4.711 4.320 -0.000 0.000 0.208 171 A C 0.893 178.340 177.584 -0.228 0.000 1.177 171 A CA 0.304 52.287 52.037 -0.091 0.000 0.804 171 A CB -0.444 18.408 19.000 -0.247 0.000 0.823 171 A HN 0.406 nan 8.150 nan 0.000 0.482 172 F N -0.577 119.337 119.950 -0.060 0.000 2.668 172 F HA 0.329 4.856 4.527 -0.000 0.000 0.301 172 F C 1.576 177.409 175.800 0.055 0.000 1.106 172 F CA -0.568 57.422 58.000 -0.016 0.000 1.289 172 F CB -0.111 38.876 39.000 -0.021 0.000 1.006 172 F HN 0.173 nan 8.300 nan 0.000 0.535 173 G N 0.285 109.197 108.800 0.188 0.000 2.525 173 G HA2 0.340 4.299 3.960 -0.000 0.000 0.276 173 G HA3 0.340 4.299 3.960 -0.000 0.000 0.276 173 G C -0.272 174.711 174.900 0.138 0.000 1.388 173 G CA -0.469 44.732 45.100 0.169 0.000 1.050 173 G HN -0.109 nan 8.290 nan 0.000 0.520 174 V N 0.341 120.328 119.914 0.122 0.000 2.572 174 V HA 0.500 4.620 4.120 -0.000 0.000 0.291 174 V C 0.707 176.858 176.094 0.094 0.000 1.039 174 V CA 0.448 62.810 62.300 0.104 0.000 1.055 174 V CB 0.352 32.229 31.823 0.089 0.000 0.969 174 V HN 1.044 nan 8.190 nan 0.000 0.482 175 A N 5.003 127.881 122.820 0.096 0.000 2.520 175 A HA 0.835 5.155 4.320 -0.000 0.000 0.298 175 A C -0.601 177.051 177.584 0.113 0.000 1.051 175 A CA -0.556 51.538 52.037 0.094 0.000 0.690 175 A CB 1.050 20.092 19.000 0.070 0.000 1.281 175 A HN 0.864 nan 8.150 nan 0.000 0.402 176 L N -0.987 120.308 121.223 0.120 0.000 7.336 176 L HA -0.165 4.175 4.340 -0.000 0.000 0.172 176 L C 0.505 177.471 176.870 0.160 0.000 1.169 176 L CA 0.657 55.579 54.840 0.136 0.000 1.369 176 L CB -0.779 41.358 42.059 0.129 0.000 2.701 176 L HN 1.948 nan 8.230 nan 0.000 1.115 177 A N -0.011 122.900 122.820 0.151 0.000 3.455 177 A HA 0.492 4.812 4.320 -0.000 0.000 0.225 177 A C -0.145 177.478 177.584 0.066 0.000 1.052 177 A CA 0.206 52.326 52.037 0.139 0.000 1.005 177 A CB -0.239 18.918 19.000 0.263 0.000 1.318 177 A HN 0.784 nan 8.150 nan 0.000 0.639 178 D N 0.159 120.647 120.400 0.146 0.000 2.336 178 D HA 0.431 5.070 4.640 -0.000 0.000 0.228 178 D C 0.589 177.100 176.300 0.352 0.000 1.120 178 D CA 0.591 54.757 54.000 0.275 0.000 0.839 178 D CB 0.418 41.428 40.800 0.350 0.000 0.932 178 D HN 0.487 nan 8.370 nan 0.000 0.509 179 A N 0.525 123.360 122.820 0.024 0.000 2.305 179 A HA 0.500 4.820 4.320 -0.000 0.000 0.322 179 A C -0.715 176.821 177.584 -0.081 0.000 1.187 179 A CA -0.694 51.337 52.037 -0.010 0.000 0.825 179 A CB 0.621 19.360 19.000 -0.434 0.000 1.164 179 A HN 0.373 nan 8.150 nan 0.000 0.498 180 H N 1.839 121.046 119.070 0.229 0.000 2.800 180 H HA 0.136 4.692 4.556 -0.000 0.000 0.322 180 H C -1.549 173.938 175.328 0.266 0.000 0.979 180 H CA -0.290 55.870 56.048 0.186 0.000 1.277 180 H CB 1.241 31.038 29.762 0.058 0.000 1.484 180 H HN 0.814 nan 8.280 nan 0.000 0.512 181 W N 6.834 128.221 121.300 0.145 0.000 2.365 181 W HA 0.157 4.817 4.660 -0.000 0.000 0.371 181 W C 0.635 177.232 176.519 0.130 0.000 1.006 181 W CA -0.919 56.509 57.345 0.138 0.000 1.528 181 W CB -0.206 29.320 29.460 0.110 0.000 1.497 181 W HN 0.473 nan 8.180 nan 0.000 0.367 182 V N 1.500 121.663 119.914 0.415 0.000 3.129 182 V HA 0.093 4.212 4.120 -0.000 0.000 0.259 182 V C 0.085 176.350 176.094 0.285 0.000 1.116 182 V CA 1.416 63.890 62.300 0.289 0.000 1.127 182 V CB -0.409 31.605 31.823 0.318 0.000 0.742 182 V HN 0.412 nan 8.190 nan 0.000 0.474 183 D N -1.567 119.002 120.400 0.281 0.000 2.692 183 D HA 0.204 4.844 4.640 -0.000 0.000 0.290 183 D C 0.629 177.061 176.300 0.219 0.000 1.281 183 D CA -0.144 53.956 54.000 0.167 0.000 0.804 183 D CB 1.243 42.150 40.800 0.179 0.000 1.331 183 D HN 0.026 nan 8.370 nan 0.000 0.432 184 K N -0.490 119.986 120.400 0.127 0.000 2.077 184 K HA -0.183 4.137 4.320 -0.000 0.000 0.213 184 K C 1.353 178.204 176.600 0.418 0.000 1.051 184 K CA 2.716 59.127 56.287 0.206 0.000 0.929 184 K CB -1.642 30.913 32.500 0.091 0.000 0.715 184 K HN 0.603 nan 8.250 nan 0.000 0.451 185 T N -3.700 111.040 114.554 0.310 0.000 3.182 185 T HA 0.278 4.628 4.350 -0.000 0.000 0.277 185 T C -0.260 174.586 174.700 0.242 0.000 1.013 185 T CA -0.723 61.531 62.100 0.256 0.000 0.900 185 T CB -0.009 68.955 68.868 0.161 0.000 1.098 185 T HN 0.076 nan 8.240 nan 0.000 0.543 186 T N 3.012 117.761 114.554 0.325 0.000 2.848 186 T HA 0.639 4.989 4.350 -0.000 0.000 0.285 186 T C -1.494 173.405 174.700 0.331 0.000 0.995 186 T CA -0.737 61.531 62.100 0.280 0.000 0.970 186 T CB 1.982 70.997 68.868 0.246 0.000 0.976 186 T HN 0.160 nan 8.240 nan 0.000 0.441 187 L N 4.643 126.031 121.223 0.274 0.000 2.406 187 L HA 0.586 4.925 4.340 -0.000 0.000 0.272 187 L C -1.475 175.636 176.870 0.402 0.000 0.980 187 L CA -0.843 54.177 54.840 0.300 0.000 0.831 187 L CB 1.244 43.410 42.059 0.178 0.000 1.253 187 L HN 0.670 nan 8.230 nan 0.000 0.406 188 L N 5.356 126.824 121.223 0.409 0.000 2.272 188 L HA 0.440 4.780 4.340 -0.000 0.000 0.289 188 L C -1.396 175.881 176.870 0.678 0.000 1.032 188 L CA -0.396 54.708 54.840 0.440 0.000 0.810 188 L CB 1.578 43.830 42.059 0.323 0.000 1.205 188 L HN 0.646 nan 8.230 nan 0.000 0.422 189 W N 7.441 128.979 121.300 0.397 0.000 3.423 189 W HA 0.406 5.065 4.660 -0.000 0.000 0.330 189 W C -2.644 174.007 176.519 0.220 0.000 1.102 189 W CA -1.678 55.876 57.345 0.348 0.000 1.261 189 W CB 1.675 31.350 29.460 0.358 0.000 1.283 189 W HN 0.142 nan 8.180 nan 0.000 0.447 190 P HA -0.060 nan 4.420 nan 0.000 0.215 190 P C 1.642 178.605 177.300 -0.562 0.000 1.157 190 P CA 2.670 65.549 63.100 -0.369 0.000 0.868 190 P CB 0.138 31.611 31.700 -0.378 0.000 0.788 191 G N -1.005 107.163 108.800 -1.053 0.000 2.807 191 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.207 191 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.207 191 G C 1.293 175.384 174.900 -1.348 0.000 1.151 191 G CA 0.620 45.056 45.100 -1.107 0.000 0.800 191 G HN 0.393 nan 8.290 nan 0.000 0.523 192 G N -0.636 107.526 108.800 -1.063 0.000 3.020 192 G HA2 0.160 4.120 3.960 -0.000 0.000 0.217 192 G HA3 0.160 4.120 3.960 -0.000 0.000 0.217 192 G C 0.431 175.406 174.900 0.125 0.000 1.144 192 G CA -0.319 44.521 45.100 -0.432 0.000 0.760 192 G HN 0.470 nan 8.290 nan 0.000 0.548 193 E N 0.574 120.780 120.200 0.010 0.000 2.415 193 E HA 0.140 4.490 4.350 -0.000 0.000 0.263 193 E C 0.855 177.450 176.600 -0.008 0.000 0.995 193 E CA 0.144 56.558 56.400 0.023 0.000 0.915 193 E CB 0.270 29.928 29.700 -0.069 0.000 0.951 193 E HN 0.188 nan 8.360 nan 0.000 0.449 194 N N 1.831 120.549 118.700 0.030 0.000 2.157 194 N HA -0.224 4.516 4.740 -0.000 0.000 0.216 194 N C -0.902 174.613 175.510 0.009 0.000 0.367 194 N CA 1.855 54.912 53.050 0.011 0.000 4.226 194 N CB -1.053 37.424 38.487 -0.017 0.000 0.776 194 N HN 0.432 nan 8.380 nan 0.000 0.227 195 K N 2.221 122.607 120.400 -0.024 0.000 2.364 195 K HA -0.060 4.260 4.320 -0.000 0.000 0.265 195 K C -1.741 174.851 176.600 -0.014 0.000 1.189 195 K CA 0.074 56.340 56.287 -0.035 0.000 1.224 195 K CB -0.066 32.385 32.500 -0.082 0.000 0.813 195 K HN 0.352 nan 8.250 nan 0.000 0.490 196 P HA -0.174 nan 4.420 nan 0.000 0.217 196 P C -0.253 177.047 177.300 -0.001 0.000 1.148 196 P CA 1.203 64.307 63.100 0.007 0.000 0.834 196 P CB 0.230 31.933 31.700 0.004 0.000 0.783 197 I N -0.684 119.874 120.570 -0.020 0.000 2.371 197 I HA 0.161 4.330 4.170 -0.000 0.000 0.282 197 I C -0.687 175.405 176.117 -0.042 0.000 1.031 197 I CA -0.715 60.569 61.300 -0.027 0.000 1.180 197 I CB 1.699 39.678 38.000 -0.036 0.000 1.336 197 I HN -0.396 nan 8.210 nan 0.000 0.467 198 V N 7.037 126.910 119.914 -0.068 0.000 2.350 198 V HA 0.523 4.643 4.120 -0.000 0.000 0.285 198 V C 0.039 176.088 176.094 -0.075 0.000 1.014 198 V CA -0.533 61.696 62.300 -0.117 0.000 0.831 198 V CB 1.372 32.925 31.823 -0.450 0.000 1.000 198 V HN 0.694 nan 8.190 nan 0.000 0.433 199 R N 3.590 124.096 120.500 0.011 0.000 2.867 199 R HA 0.725 5.065 4.340 -0.000 0.000 0.268 199 R C -1.562 174.781 176.300 0.071 0.000 1.014 199 R CA -1.069 55.057 56.100 0.045 0.000 0.946 199 R CB 2.428 32.743 30.300 0.026 0.000 1.208 199 R HN 0.491 nan 8.270 nan 0.000 0.477 200 L N 2.242 123.497 121.223 0.052 0.000 2.337 200 L HA 0.412 4.752 4.340 -0.000 0.000 0.269 200 L C -1.509 175.457 176.870 0.160 0.000 1.018 200 L CA -0.407 54.456 54.840 0.038 0.000 0.876 200 L CB 0.322 42.302 42.059 -0.133 0.000 1.236 200 L HN 0.436 nan 8.230 nan 0.000 0.436 201 Y N 4.215 124.544 120.300 0.048 0.000 2.298 201 Y HA 0.560 5.109 4.550 -0.000 0.000 0.329 201 Y C -0.265 175.712 175.900 0.130 0.000 1.293 201 Y CA 0.022 58.164 58.100 0.070 0.000 1.388 201 Y CB 0.996 39.470 38.460 0.023 0.000 1.309 201 Y HN 0.576 nan 8.280 nan 0.000 0.544 202 Y N -2.131 118.278 120.300 0.181 0.000 2.558 202 Y HA 0.613 5.163 4.550 -0.000 0.000 0.333 202 Y C -1.188 174.755 175.900 0.072 0.000 1.125 202 Y CA -1.376 56.773 58.100 0.082 0.000 1.039 202 Y CB 1.392 39.883 38.460 0.052 0.000 1.331 202 Y HN 0.424 nan 8.280 nan 0.000 0.456 203 S N 0.993 116.804 115.700 0.185 0.000 2.614 203 S HA 0.272 4.741 4.470 -0.000 0.000 0.288 203 S C -0.146 174.520 174.600 0.111 0.000 1.137 203 S CA -0.401 57.871 58.200 0.119 0.000 0.992 203 S CB 0.663 63.883 63.200 0.032 0.000 1.026 203 S HN 1.003 nan 8.310 nan 0.000 0.486 204 H N 3.869 122.987 119.070 0.080 0.000 2.270 204 H HA 0.109 4.665 4.556 -0.000 0.000 0.299 204 H C 1.345 176.677 175.328 0.007 0.000 1.077 204 H CA 2.692 58.767 56.048 0.044 0.000 1.294 204 H CB 0.224 30.024 29.762 0.063 0.000 1.371 204 H HN 0.491 nan 8.280 nan 0.000 0.491 205 S N -0.736 114.970 115.700 0.011 0.000 2.578 205 S HA 0.297 4.767 4.470 -0.000 0.000 0.231 205 S C -0.154 174.443 174.600 -0.004 0.000 0.994 205 S CA -0.279 57.895 58.200 -0.044 0.000 0.956 205 S CB 0.884 64.121 63.200 0.061 0.000 0.870 205 S HN 0.216 nan 8.310 nan 0.000 0.494 206 S N 1.329 117.030 115.700 0.001 0.000 2.715 206 S HA 0.473 4.943 4.470 -0.000 0.000 0.307 206 S C -0.601 173.995 174.600 -0.007 0.000 1.119 206 S CA -0.841 57.363 58.200 0.007 0.000 0.937 206 S CB 1.717 64.925 63.200 0.013 0.000 1.150 206 S HN 0.207 nan 8.310 nan 0.000 0.521 207 K N 2.485 122.890 120.400 0.008 0.000 2.281 207 K HA 0.410 4.730 4.320 -0.000 0.000 0.272 207 K C -0.155 176.438 176.600 -0.012 0.000 1.048 207 K CA -0.601 55.694 56.287 0.015 0.000 0.898 207 K CB 0.392 32.918 32.500 0.043 0.000 1.128 207 K HN 0.586 nan 8.250 nan 0.000 0.460 208 V N 1.828 121.733 119.914 -0.015 0.000 2.928 208 V HA 0.345 4.464 4.120 -0.000 0.000 0.307 208 V C 0.394 176.431 176.094 -0.095 0.000 1.105 208 V CA 0.995 63.272 62.300 -0.039 0.000 1.223 208 V CB 0.680 32.512 31.823 0.015 0.000 0.930 208 V HN 1.021 nan 8.190 nan 0.000 0.499 209 A N 2.945 125.618 122.820 -0.246 0.000 1.950 209 A HA 0.914 5.234 4.320 -0.000 0.000 0.132 209 A C 0.416 177.480 177.584 -0.866 0.000 1.544 209 A CA 0.325 52.145 52.037 -0.362 0.000 2.723 209 A CB -0.165 18.724 19.000 -0.185 0.000 2.842 209 A HN 2.696 nan 8.150 nan 0.000 1.249 210 A N 0.795 123.263 122.820 -0.586 0.000 2.562 210 A HA 0.541 4.860 4.320 -0.000 0.000 0.305 210 A C -1.219 176.204 177.584 -0.267 0.000 1.059 210 A CA 0.065 51.735 52.037 -0.612 0.000 0.835 210 A CB -0.067 18.581 19.000 -0.588 0.000 1.299 210 A HN 1.206 nan 8.150 nan 0.000 0.392 211 D N 1.951 122.238 120.400 -0.189 0.000 2.352 211 D HA 0.270 4.910 4.640 -0.000 0.000 0.238 211 D C 1.531 177.790 176.300 -0.068 0.000 1.286 211 D CA 0.301 54.243 54.000 -0.095 0.000 0.923 211 D CB 0.382 41.148 40.800 -0.057 0.000 1.146 211 D HN 0.769 nan 8.370 nan 0.000 0.471 212 S N -0.355 115.321 115.700 -0.040 0.000 2.420 212 S HA -0.294 4.176 4.470 -0.000 0.000 0.237 212 S C 1.032 175.619 174.600 -0.022 0.000 1.023 212 S CA 1.254 59.439 58.200 -0.025 0.000 0.991 212 S CB -0.947 62.243 63.200 -0.018 0.000 0.792 212 S HN 0.608 nan 8.310 nan 0.000 0.488 213 N N 1.284 119.970 118.700 -0.022 0.000 2.383 213 N HA 0.287 5.026 4.740 -0.000 0.000 0.192 213 N C 0.760 176.263 175.510 -0.012 0.000 1.141 213 N CA 0.115 53.157 53.050 -0.014 0.000 0.851 213 N CB -0.039 38.445 38.487 -0.006 0.000 0.976 213 N HN 0.629 nan 8.380 nan 0.000 0.465 214 G N 1.553 110.337 108.800 -0.027 0.000 2.295 214 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.287 214 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.287 214 G C -0.398 174.521 174.900 0.032 0.000 1.055 214 G CA 0.308 45.397 45.100 -0.019 0.000 0.922 214 G HN 0.438 nan 8.290 nan 0.000 0.503 215 E N -1.512 118.692 120.200 0.008 0.000 2.359 215 E HA 0.671 5.021 4.350 -0.000 0.000 0.266 215 E C -0.942 175.692 176.600 0.057 0.000 0.920 215 E CA -1.139 55.334 56.400 0.123 0.000 0.788 215 E CB 1.117 30.868 29.700 0.086 0.000 1.279 215 E HN 0.046 nan 8.360 nan 0.000 0.438 216 F N 1.453 121.373 119.950 -0.050 0.000 2.300 216 F HA 0.213 4.740 4.527 -0.000 0.000 0.364 216 F C 1.080 176.925 175.800 0.074 0.000 1.090 216 F CA -0.290 57.673 58.000 -0.062 0.000 1.200 216 F CB 0.807 39.646 39.000 -0.269 0.000 1.493 216 F HN 0.329 nan 8.300 nan 0.000 0.518 217 S N 0.202 115.994 115.700 0.153 0.000 2.345 217 S HA -0.131 4.339 4.470 -0.000 0.000 0.220 217 S C 0.105 174.814 174.600 0.182 0.000 1.031 217 S CA 0.459 58.746 58.200 0.146 0.000 0.996 217 S CB -0.400 62.837 63.200 0.062 0.000 0.882 217 S HN 0.591 nan 8.310 nan 0.000 0.445 218 D N 2.273 122.760 120.400 0.145 0.000 2.777 218 D HA 0.012 4.652 4.640 -0.000 0.000 0.218 218 D C 0.266 176.600 176.300 0.057 0.000 1.153 218 D CA 0.849 54.901 54.000 0.087 0.000 0.846 218 D CB 0.254 41.114 40.800 0.100 0.000 1.209 218 D HN 0.101 nan 8.370 nan 0.000 0.517 219 K N 1.037 121.299 120.400 -0.230 0.000 2.234 219 K HA 0.416 4.736 4.320 -0.000 0.000 0.251 219 K C -0.383 175.843 176.600 -0.624 0.000 1.011 219 K CA 0.068 56.100 56.287 -0.426 0.000 0.889 219 K CB 0.222 32.408 32.500 -0.523 0.000 1.011 219 K HN 0.567 nan 8.250 nan 0.000 0.505 220 Y N -4.475 115.449 120.300 -0.627 0.000 2.750 220 Y HA 0.605 5.155 4.550 -0.000 0.000 0.335 220 Y C -1.558 174.245 175.900 -0.162 0.000 1.252 220 Y CA -1.599 56.184 58.100 -0.527 0.000 1.064 220 Y CB 0.827 38.565 38.460 -1.203 0.000 1.321 220 Y HN 0.098 nan 8.280 nan 0.000 0.451 221 V N 2.067 121.998 119.914 0.029 0.000 2.443 221 V HA 0.365 4.485 4.120 -0.000 0.000 0.293 221 V C -0.531 175.591 176.094 0.048 0.000 1.021 221 V CA -1.343 60.947 62.300 -0.016 0.000 0.848 221 V CB 1.350 33.167 31.823 -0.009 0.000 0.998 221 V HN 0.672 nan 8.190 nan 0.000 0.424 222 K N 4.939 125.369 120.400 0.050 0.000 2.447 222 K HA 0.348 4.668 4.320 -0.000 0.000 0.281 222 K C -0.704 175.919 176.600 0.038 0.000 1.031 222 K CA 0.116 56.455 56.287 0.087 0.000 1.019 222 K CB 0.500 33.048 32.500 0.079 0.000 0.918 222 K HN 0.489 nan 8.250 nan 0.000 0.476 223 L N 2.477 123.711 121.223 0.017 0.000 2.322 223 L HA 0.379 4.719 4.340 -0.000 0.000 0.279 223 L C 0.312 177.221 176.870 0.064 0.000 1.036 223 L CA -0.679 54.170 54.840 0.015 0.000 0.807 223 L CB 1.738 43.740 42.059 -0.095 0.000 1.226 223 L HN 0.714 nan 8.230 nan 0.000 0.433 224 T N -0.112 114.539 114.554 0.161 0.000 2.881 224 T HA 0.505 4.855 4.350 -0.000 0.000 0.290 224 T C -2.725 172.168 174.700 0.322 0.000 1.000 224 T CA -2.332 59.886 62.100 0.196 0.000 0.978 224 T CB 1.729 70.672 68.868 0.125 0.000 0.997 224 T HN 0.158 nan 8.240 nan 0.000 0.443 225 P HA 0.281 nan 4.420 nan 0.000 0.264 225 P C -0.121 177.244 177.300 0.109 0.000 1.179 225 P CA 0.382 63.636 63.100 0.258 0.000 0.763 225 P CB 0.520 32.330 31.700 0.184 0.000 0.806 226 T N 0.192 114.754 114.554 0.012 0.000 2.711 226 T HA 0.577 4.927 4.350 -0.000 0.000 0.302 226 T C -1.384 173.301 174.700 -0.025 0.000 1.373 226 T CA -0.536 61.575 62.100 0.018 0.000 1.000 226 T CB 0.766 69.669 68.868 0.058 0.000 1.483 226 T HN 0.366 nan 8.240 nan 0.000 0.499 227 T N 0.089 114.644 114.554 0.002 0.000 2.771 227 T HA 0.579 4.929 4.350 -0.000 0.000 0.281 227 T C 0.291 175.001 174.700 0.017 0.000 0.982 227 T CA -0.628 61.471 62.100 -0.001 0.000 0.978 227 T CB 1.045 69.918 68.868 0.008 0.000 0.930 227 T HN 0.725 nan 8.240 nan 0.000 0.447 228 V N 6.064 125.988 119.914 0.017 0.000 2.506 228 V HA 0.056 4.176 4.120 -0.000 0.000 0.296 228 V C 0.947 177.068 176.094 0.045 0.000 1.004 228 V CA -0.108 62.217 62.300 0.042 0.000 1.150 228 V CB -1.307 30.544 31.823 0.046 0.000 0.911 228 V HN 1.084 nan 8.190 nan 0.000 0.476 229 N N 4.136 122.870 118.700 0.056 0.000 2.297 229 N HA -0.007 4.733 4.740 -0.000 0.000 0.232 229 N C 0.788 176.323 175.510 0.042 0.000 1.311 229 N CA -0.065 53.014 53.050 0.048 0.000 0.897 229 N CB 0.444 38.964 38.487 0.056 0.000 1.137 229 N HN 0.805 nan 8.380 nan 0.000 0.449 230 Q N -0.221 119.598 119.800 0.032 0.000 2.224 230 Q HA -0.205 4.135 4.340 -0.000 0.000 0.203 230 Q C 1.387 177.397 176.000 0.017 0.000 0.970 230 Q CA 1.351 57.167 55.803 0.023 0.000 0.865 230 Q CB 0.114 28.863 28.738 0.018 0.000 0.922 230 Q HN 0.659 nan 8.270 nan 0.000 0.445 231 Q N -0.569 119.244 119.800 0.021 0.000 2.079 231 Q HA -0.093 4.246 4.340 -0.000 0.000 0.200 231 Q C 2.029 178.027 176.000 -0.003 0.000 0.974 231 Q CA 1.516 57.324 55.803 0.008 0.000 0.840 231 Q CB -0.128 28.622 28.738 0.021 0.000 0.898 231 Q HN 0.186 nan 8.270 nan 0.000 0.430 232 V N -0.121 119.818 119.914 0.041 0.000 2.453 232 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 232 V C 2.015 178.144 176.094 0.058 0.000 1.048 232 V CA 1.727 64.076 62.300 0.082 0.000 1.049 232 V CB -0.512 31.407 31.823 0.159 0.000 0.672 232 V HN 0.298 nan 8.190 nan 0.000 0.457 233 S N -0.228 115.499 115.700 0.045 0.000 2.382 233 S HA -0.167 4.302 4.470 -0.000 0.000 0.228 233 S C 1.978 176.588 174.600 0.017 0.000 1.027 233 S CA 1.465 59.688 58.200 0.039 0.000 0.991 233 S CB -0.280 62.940 63.200 0.033 0.000 0.823 233 S HN 0.376 nan 8.310 nan 0.000 0.469 234 M N 0.974 120.566 119.600 -0.015 0.000 2.254 234 M HA 0.075 4.555 4.480 -0.000 0.000 0.265 234 M C 1.992 178.235 176.300 -0.095 0.000 1.066 234 M CA 1.230 56.511 55.300 -0.032 0.000 1.123 234 M CB -1.071 31.510 32.600 -0.031 0.000 1.388 234 M HN 0.238 nan 8.290 nan 0.000 0.425 235 R N -0.929 119.435 120.500 -0.226 0.000 2.093 235 R HA 0.010 4.350 4.340 -0.000 0.000 0.224 235 R C 0.105 175.984 176.300 -0.702 0.000 1.101 235 R CA 0.842 56.603 56.100 -0.565 0.000 0.979 235 R CB 0.134 29.898 30.300 -0.892 0.000 0.877 235 R HN 0.242 nan 8.270 nan 0.000 0.441 236 F N -0.439 119.576 119.950 0.108 0.000 2.584 236 F HA 0.326 4.852 4.527 -0.000 0.000 0.328 236 F C -1.964 173.880 175.800 0.073 0.000 1.407 236 F CA -2.213 55.870 58.000 0.139 0.000 1.145 236 F CB 1.758 40.745 39.000 -0.021 0.000 1.440 236 F HN -0.211 nan 8.300 nan 0.000 0.580 237 P HA -0.226 nan 4.420 nan 0.000 0.216 237 P C 1.251 178.631 177.300 0.133 0.000 1.150 237 P CA 1.873 65.061 63.100 0.147 0.000 0.843 237 P CB -0.214 31.557 31.700 0.119 0.000 0.787 238 H N -2.071 117.000 119.070 0.001 0.000 2.545 238 H HA 0.079 4.635 4.556 -0.000 0.000 0.282 238 H C 1.290 176.523 175.328 -0.159 0.000 1.020 238 H CA 0.481 56.496 56.048 -0.055 0.000 1.243 238 H CB -0.875 28.849 29.762 -0.063 0.000 1.377 238 H HN 0.159 nan 8.280 nan 0.000 0.581 239 L N -0.044 120.856 121.223 -0.538 0.000 2.858 239 L HA 0.420 4.759 4.340 -0.000 0.000 0.251 239 L C 2.328 179.022 176.870 -0.294 0.000 1.149 239 L CA 0.277 54.651 54.840 -0.778 0.000 0.955 239 L CB 0.209 41.662 42.059 -1.009 0.000 1.289 239 L HN 0.385 nan 8.230 nan 0.000 0.542 240 A N 0.843 123.605 122.820 -0.098 0.000 2.032 240 A HA -0.228 4.091 4.320 -0.000 0.000 0.221 240 A C 2.319 179.932 177.584 0.049 0.000 1.165 240 A CA 2.191 54.230 52.037 0.005 0.000 0.645 240 A CB -0.407 18.610 19.000 0.028 0.000 0.807 240 A HN 0.497 nan 8.150 nan 0.000 0.453 241 S N -2.309 113.447 115.700 0.093 0.000 2.575 241 S HA 0.221 4.691 4.470 -0.000 0.000 0.215 241 S C 0.299 175.026 174.600 0.212 0.000 0.966 241 S CA -0.643 57.635 58.200 0.129 0.000 0.911 241 S CB -0.521 62.749 63.200 0.116 0.000 0.780 241 S HN 0.485 nan 8.310 nan 0.000 0.514 242 Y N 2.427 122.712 120.300 -0.026 0.000 2.336 242 Y HA 0.308 4.858 4.550 -0.000 0.000 0.331 242 Y C -2.211 173.653 175.900 -0.060 0.000 1.211 242 Y CA -2.665 55.424 58.100 -0.018 0.000 1.346 242 Y CB 0.343 38.813 38.460 0.016 0.000 1.271 242 Y HN 0.133 nan 8.280 nan 0.000 0.538 243 P HA 0.043 nan 4.420 nan 0.000 0.266 243 P C -1.124 175.959 177.300 -0.362 0.000 1.215 243 P CA 0.139 63.111 63.100 -0.214 0.000 0.763 243 P CB 0.574 32.126 31.700 -0.248 0.000 0.806 244 A N 3.654 126.229 122.820 -0.409 0.000 2.279 244 A HA 0.775 5.095 4.320 -0.000 0.000 0.303 244 A C -0.822 176.354 177.584 -0.679 0.000 1.108 244 A CA -0.137 51.697 52.037 -0.337 0.000 0.830 244 A CB 0.261 19.204 19.000 -0.095 0.000 1.106 244 A HN 0.386 nan 8.150 nan 0.000 0.493 245 F N 0.241 120.272 119.950 0.136 0.000 2.601 245 F HA 0.483 5.010 4.527 -0.000 0.000 0.309 245 F C 0.199 176.055 175.800 0.093 0.000 1.089 245 F CA -0.755 57.312 58.000 0.112 0.000 0.940 245 F CB 2.123 41.203 39.000 0.133 0.000 1.273 245 F HN 0.395 nan 8.300 nan 0.000 0.450 246 K N 2.752 123.314 120.400 0.270 0.000 2.164 246 K HA 0.661 4.981 4.320 -0.000 0.000 0.258 246 K C -1.323 175.355 176.600 0.130 0.000 0.951 246 K CA -0.440 55.950 56.287 0.171 0.000 0.844 246 K CB 1.662 34.241 32.500 0.132 0.000 1.099 246 K HN 0.713 nan 8.250 nan 0.000 0.435 247 L N 5.055 126.339 121.223 0.102 0.000 2.331 247 L HA 0.461 4.800 4.340 -0.000 0.000 0.275 247 L C -1.911 175.000 176.870 0.068 0.000 1.022 247 L CA -2.163 52.713 54.840 0.060 0.000 0.812 247 L CB 2.046 44.127 42.059 0.037 0.000 1.257 247 L HN 0.511 nan 8.230 nan 0.000 0.435 248 P HA 0.028 nan 4.420 nan 0.000 0.269 248 P C -0.702 176.631 177.300 0.053 0.000 1.215 248 P CA -0.142 62.984 63.100 0.044 0.000 0.780 248 P CB 1.040 32.755 31.700 0.024 0.000 0.898 249 D N 0.202 120.631 120.400 0.048 0.000 2.183 249 D HA -0.136 4.503 4.640 -0.000 0.000 0.203 249 D C 0.940 177.263 176.300 0.040 0.000 0.969 249 D CA 1.330 55.358 54.000 0.048 0.000 0.842 249 D CB -0.409 40.415 40.800 0.039 0.000 0.957 249 D HN 0.518 nan 8.370 nan 0.000 0.484 250 D N 0.484 120.902 120.400 0.029 0.000 2.344 250 D HA -0.046 4.594 4.640 -0.000 0.000 0.242 250 D C 0.243 176.555 176.300 0.020 0.000 1.159 250 D CA -0.210 53.801 54.000 0.020 0.000 0.859 250 D CB -0.461 40.346 40.800 0.011 0.000 0.925 250 D HN 0.023 nan 8.370 nan 0.000 0.510 251 V N 0.818 120.753 119.914 0.035 0.000 2.530 251 V HA 0.095 4.215 4.120 -0.000 0.000 0.282 251 V C 0.111 176.230 176.094 0.042 0.000 1.048 251 V CA -0.720 61.602 62.300 0.037 0.000 0.997 251 V CB 0.680 32.543 31.823 0.066 0.000 0.987 251 V HN 0.261 nan 8.190 nan 0.000 0.477 252 N N 4.843 123.549 118.700 0.010 0.000 2.739 252 N HA 0.101 4.841 4.740 -0.000 0.000 0.266 252 N C 1.201 176.725 175.510 0.023 0.000 1.168 252 N CA 0.130 53.182 53.050 0.003 0.000 1.055 252 N CB 0.882 39.355 38.487 -0.023 0.000 1.393 252 N HN 0.774 nan 8.380 nan 0.000 0.514 253 V N 0.556 120.514 119.914 0.074 0.000 2.282 253 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 253 V C 1.293 177.414 176.094 0.044 0.000 1.057 253 V CA 1.839 64.209 62.300 0.117 0.000 1.032 253 V CB -0.602 31.227 31.823 0.010 0.000 0.645 253 V HN 0.442 nan 8.190 nan 0.000 0.447 254 D N 0.423 120.839 120.400 0.027 0.000 2.133 254 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 254 D C 2.128 178.471 176.300 0.071 0.000 0.997 254 D CA 1.912 55.966 54.000 0.091 0.000 0.840 254 D CB -0.293 40.566 40.800 0.099 0.000 0.947 254 D HN 0.679 nan 8.370 nan 0.000 0.452 255 E N -0.074 120.142 120.200 0.026 0.000 2.106 255 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 255 E C 1.716 178.301 176.600 -0.024 0.000 0.984 255 E CA 0.584 56.988 56.400 0.007 0.000 0.806 255 E CB -0.188 29.488 29.700 -0.040 0.000 0.750 255 E HN 0.138 nan 8.360 nan 0.000 0.458 256 L N 0.063 121.234 121.223 -0.086 0.000 2.141 256 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 256 L C 2.031 178.943 176.870 0.070 0.000 1.094 256 L CA 1.134 55.908 54.840 -0.111 0.000 0.763 256 L CB -0.376 41.666 42.059 -0.029 0.000 0.908 256 L HN 0.217 nan 8.230 nan 0.000 0.437 257 L N -0.867 120.409 121.223 0.089 0.000 2.610 257 L HA -0.068 4.271 4.340 -0.000 0.000 0.232 257 L C 2.040 178.938 176.870 0.046 0.000 1.149 257 L CA 0.097 54.979 54.840 0.070 0.000 0.872 257 L CB -0.345 41.736 42.059 0.037 0.000 0.992 257 L HN 0.322 nan 8.230 nan 0.000 0.447 258 Q N -0.099 119.736 119.800 0.059 0.000 2.389 258 Q HA 0.122 4.462 4.340 -0.000 0.000 0.204 258 Q C 1.069 177.039 176.000 -0.050 0.000 0.944 258 Q CA 0.771 56.611 55.803 0.062 0.000 0.908 258 Q CB 0.634 29.490 28.738 0.196 0.000 1.002 258 Q HN 0.509 nan 8.270 nan 0.000 0.493 259 G N -0.180 108.564 108.800 -0.094 0.000 3.195 259 G HA2 0.291 4.251 3.960 -0.000 0.000 0.217 259 G HA3 0.291 4.251 3.960 -0.000 0.000 0.217 259 G C -1.348 173.197 174.900 -0.591 0.000 1.166 259 G CA -0.551 44.363 45.100 -0.310 0.000 0.812 259 G HN 0.057 nan 8.290 nan 0.000 0.617 260 E N -0.083 119.618 120.200 -0.832 0.000 2.313 260 E HA 0.518 4.868 4.350 -0.000 0.000 0.272 260 E C -0.673 175.806 176.600 -0.202 0.000 1.038 260 E CA -0.370 55.526 56.400 -0.840 0.000 0.863 260 E CB 0.986 30.212 29.700 -0.790 0.000 1.060 260 E HN 0.520 nan 8.360 nan 0.000 0.402 261 T N 0.162 114.678 114.554 -0.064 0.000 2.881 261 T HA 0.561 4.910 4.350 -0.000 0.000 0.290 261 T C -0.796 173.933 174.700 0.048 0.000 1.000 261 T CA -0.834 61.312 62.100 0.077 0.000 0.978 261 T CB 1.379 70.336 68.868 0.149 0.000 0.997 261 T HN 0.165 nan 8.240 nan 0.000 0.443 262 V N 1.990 121.936 119.914 0.053 0.000 2.638 262 V HA 0.789 4.909 4.120 -0.000 0.000 0.306 262 V C 0.270 176.309 176.094 -0.091 0.000 1.052 262 V CA -1.112 61.177 62.300 -0.019 0.000 0.885 262 V CB 1.782 33.611 31.823 0.009 0.000 0.999 262 V HN 1.303 nan 8.190 nan 0.000 0.424 263 A N 6.183 128.812 122.820 -0.319 0.000 2.328 263 A HA 0.852 5.172 4.320 -0.000 0.000 0.284 263 A C -0.567 176.687 177.584 -0.550 0.000 1.160 263 A CA -0.173 51.510 52.037 -0.590 0.000 0.818 263 A CB 0.162 18.412 19.000 -1.251 0.000 1.087 263 A HN 0.754 nan 8.150 nan 0.000 0.504 264 I N 1.252 121.683 120.570 -0.232 0.000 2.647 264 I HA 0.617 4.787 4.170 -0.000 0.000 0.295 264 I C 0.191 176.432 176.117 0.207 0.000 1.078 264 I CA -0.537 60.742 61.300 -0.036 0.000 1.048 264 I CB 2.330 40.150 38.000 -0.299 0.000 1.239 264 I HN 0.712 nan 8.210 nan 0.000 0.421 265 A N 4.192 127.170 122.820 0.263 0.000 2.386 265 A HA 0.994 5.314 4.320 -0.000 0.000 0.311 265 A C -1.036 176.537 177.584 -0.019 0.000 1.068 265 A CA -0.484 51.622 52.037 0.115 0.000 0.743 265 A CB 1.806 20.812 19.000 0.011 0.000 1.258 265 A HN 0.877 nan 8.150 nan 0.000 0.429 266 A N 1.222 124.013 122.820 -0.049 0.000 2.594 266 A HA 0.720 5.039 4.320 -0.000 0.000 0.295 266 A C -0.467 177.092 177.584 -0.043 0.000 1.071 266 A CA -0.625 51.373 52.037 -0.065 0.000 0.685 266 A CB 0.806 19.740 19.000 -0.110 0.000 1.285 266 A HN 0.723 nan 8.150 nan 0.000 0.405 267 E N 0.352 120.533 120.200 -0.032 0.000 2.585 267 E HA 0.121 4.471 4.350 -0.000 0.000 0.256 267 E C 1.702 178.291 176.600 -0.018 0.000 1.383 267 E CA 0.706 57.095 56.400 -0.019 0.000 1.029 267 E CB 0.320 30.014 29.700 -0.009 0.000 1.044 267 E HN 0.786 nan 8.360 nan 0.000 0.595 268 S N 0.085 115.780 115.700 -0.009 0.000 2.383 268 S HA -0.236 4.233 4.470 -0.000 0.000 0.229 268 S C 1.291 175.887 174.600 -0.007 0.000 1.030 268 S CA 1.859 60.057 58.200 -0.004 0.000 1.002 268 S CB -0.407 62.793 63.200 0.001 0.000 0.829 268 S HN 0.574 nan 8.310 nan 0.000 0.467 269 D N 0.730 121.124 120.400 -0.010 0.000 2.269 269 D HA 0.228 4.868 4.640 -0.000 0.000 0.208 269 D C 1.447 177.735 176.300 -0.019 0.000 0.963 269 D CA 0.904 54.897 54.000 -0.012 0.000 0.864 269 D CB -0.713 40.080 40.800 -0.012 0.000 0.936 269 D HN 0.718 nan 8.370 nan 0.000 0.505 270 G N -0.383 108.399 108.800 -0.030 0.000 2.143 270 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.175 270 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.175 270 G C -0.212 174.643 174.900 -0.075 0.000 1.004 270 G CA -0.149 44.922 45.100 -0.048 0.000 0.671 270 G HN 0.407 nan 8.290 nan 0.000 0.512 271 I N 1.591 122.122 120.570 -0.064 0.000 2.371 271 I HA 0.609 4.779 4.170 -0.000 0.000 0.290 271 I C 0.595 176.659 176.117 -0.088 0.000 1.028 271 I CA -1.429 59.825 61.300 -0.077 0.000 1.345 271 I CB 1.052 39.023 38.000 -0.048 0.000 1.407 271 I HN 0.255 nan 8.210 nan 0.000 0.501 272 L N 7.436 128.574 121.223 -0.142 0.000 2.410 272 L HA 0.232 4.572 4.340 -0.000 0.000 0.273 272 L C 1.036 177.925 176.870 0.031 0.000 1.144 272 L CA 0.408 55.163 54.840 -0.143 0.000 0.863 272 L CB 0.909 42.763 42.059 -0.342 0.000 1.140 272 L HN 0.925 nan 8.230 nan 0.000 0.463 273 S N 1.511 117.241 115.700 0.049 0.000 2.468 273 S HA 0.185 4.655 4.470 -0.000 0.000 0.226 273 S C 0.423 175.089 174.600 0.110 0.000 1.051 273 S CA 0.280 58.548 58.200 0.113 0.000 0.943 273 S CB 0.050 63.274 63.200 0.040 0.000 0.810 273 S HN 0.770 nan 8.310 nan 0.000 0.509 274 S N -0.222 115.542 115.700 0.106 0.000 2.552 274 S HA 0.788 5.258 4.470 -0.000 0.000 0.272 274 S C -1.272 173.458 174.600 0.216 0.000 1.150 274 S CA -0.482 57.809 58.200 0.153 0.000 0.849 274 S CB 1.290 64.589 63.200 0.166 0.000 1.113 274 S HN 1.163 nan 8.310 nan 0.000 0.458 275 A N 1.080 124.004 122.820 0.174 0.000 2.408 275 A HA 0.878 5.198 4.320 -0.000 0.000 0.295 275 A C -0.422 177.207 177.584 0.075 0.000 1.040 275 A CA -0.554 51.537 52.037 0.090 0.000 0.707 275 A CB 1.765 20.803 19.000 0.064 0.000 1.235 275 A HN 1.131 nan 8.150 nan 0.000 0.418 276 T N 1.094 115.621 114.554 -0.046 0.000 2.906 276 T HA 0.490 4.840 4.350 -0.000 0.000 0.295 276 T C -0.325 174.324 174.700 -0.085 0.000 1.075 276 T CA -0.319 61.767 62.100 -0.024 0.000 1.005 276 T CB 1.225 70.116 68.868 0.038 0.000 1.136 276 T HN 0.744 nan 8.240 nan 0.000 0.498 277 Q N 1.034 120.855 119.800 0.034 0.000 2.443 277 Q HA 0.506 4.846 4.340 -0.000 0.000 0.232 277 Q C -0.731 175.310 176.000 0.069 0.000 1.026 277 Q CA -0.545 55.308 55.803 0.083 0.000 0.924 277 Q CB 1.006 29.863 28.738 0.200 0.000 1.256 277 Q HN 0.428 nan 8.270 nan 0.000 0.519 278 V N 1.589 121.580 119.914 0.129 0.000 2.555 278 V HA 0.200 4.320 4.120 -0.000 0.000 0.302 278 V C -0.601 175.675 176.094 0.303 0.000 1.038 278 V CA -0.802 61.581 62.300 0.137 0.000 0.887 278 V CB 1.666 33.569 31.823 0.133 0.000 0.991 278 V HN 0.689 nan 8.190 nan 0.000 0.434 279 Q N 1.875 121.788 119.800 0.188 0.000 2.322 279 Q HA 0.318 4.658 4.340 -0.000 0.000 0.256 279 Q C 0.604 176.757 176.000 0.255 0.000 0.960 279 Q CA -0.139 55.819 55.803 0.259 0.000 0.934 279 Q CB 1.420 30.128 28.738 -0.050 0.000 1.200 279 Q HN 0.959 nan 8.270 nan 0.000 0.435 280 T N -2.175 112.555 114.554 0.294 0.000 3.092 280 T HA 0.231 4.580 4.350 -0.000 0.000 0.258 280 T C 1.538 176.316 174.700 0.130 0.000 1.031 280 T CA 0.309 62.528 62.100 0.198 0.000 0.925 280 T CB 0.350 69.315 68.868 0.160 0.000 1.036 280 T HN 0.504 nan 8.240 nan 0.000 0.544 281 A N 1.887 124.800 122.820 0.156 0.000 1.948 281 A HA 0.132 4.452 4.320 -0.000 0.000 0.220 281 A C 2.506 180.111 177.584 0.035 0.000 1.177 281 A CA 1.859 53.958 52.037 0.102 0.000 0.636 281 A CB -1.561 17.358 19.000 -0.135 0.000 0.815 281 A HN 0.617 nan 8.150 nan 0.000 0.449 282 G N -1.110 107.699 108.800 0.014 0.000 2.421 282 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.216 282 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.216 282 G C 1.608 176.572 174.900 0.107 0.000 1.171 282 G CA 1.170 46.355 45.100 0.143 0.000 0.775 282 G HN 0.573 nan 8.290 nan 0.000 0.543 283 V N 0.593 120.468 119.914 -0.064 0.000 2.667 283 V HA 0.061 4.180 4.120 -0.000 0.000 0.252 283 V C 2.776 178.773 176.094 -0.162 0.000 1.065 283 V CA 1.118 63.255 62.300 -0.271 0.000 1.083 283 V CB -0.197 31.053 31.823 -0.955 0.000 0.692 283 V HN 0.399 nan 8.190 nan 0.000 0.468 284 L N -0.320 120.899 121.223 -0.007 0.000 2.046 284 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 284 L C 2.402 179.435 176.870 0.271 0.000 1.077 284 L CA 2.032 56.984 54.840 0.187 0.000 0.747 284 L CB -0.681 41.503 42.059 0.207 0.000 0.896 284 L HN 0.320 nan 8.230 nan 0.000 0.432 285 D N -0.218 120.329 120.400 0.244 0.000 2.097 285 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 285 D C 1.768 178.132 176.300 0.107 0.000 0.984 285 D CA 1.269 55.397 54.000 0.213 0.000 0.826 285 D CB -0.114 40.814 40.800 0.213 0.000 0.973 285 D HN 0.233 nan 8.370 nan 0.000 0.460 286 D N -1.039 119.398 120.400 0.061 0.000 2.178 286 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 286 D C 1.608 177.869 176.300 -0.065 0.000 0.980 286 D CA 1.299 55.304 54.000 0.008 0.000 0.842 286 D CB 0.174 40.982 40.800 0.012 0.000 0.948 286 D HN 0.088 nan 8.370 nan 0.000 0.472 287 T N -1.640 112.821 114.554 -0.155 0.000 2.901 287 T HA -0.001 4.349 4.350 -0.000 0.000 0.252 287 T C 1.033 175.495 174.700 -0.395 0.000 1.035 287 T CA 0.769 62.640 62.100 -0.382 0.000 1.142 287 T CB -0.177 68.246 68.868 -0.741 0.000 0.869 287 T HN 0.202 nan 8.240 nan 0.000 0.442 288 Y N 0.553 120.906 120.300 0.088 0.000 2.535 288 Y HA 0.571 5.121 4.550 -0.000 0.000 0.266 288 Y C 2.504 178.465 175.900 0.101 0.000 1.088 288 Y CA -0.347 57.845 58.100 0.153 0.000 1.285 288 Y CB -0.695 37.964 38.460 0.332 0.000 1.166 288 Y HN 0.132 nan 8.280 nan 0.000 0.525 289 A N 1.203 124.133 122.820 0.183 0.000 1.881 289 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 289 A C 2.465 180.043 177.584 -0.009 0.000 1.215 289 A CA 2.795 54.836 52.037 0.006 0.000 0.648 289 A CB -1.333 17.683 19.000 0.028 0.000 0.832 289 A HN 0.417 nan 8.150 nan 0.000 0.455 290 A N -0.558 122.275 122.820 0.022 0.000 1.883 290 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 290 A C 2.557 180.156 177.584 0.025 0.000 1.186 290 A CA 2.659 54.705 52.037 0.015 0.000 0.624 290 A CB -1.157 17.852 19.000 0.014 0.000 0.822 290 A HN 1.277 nan 8.150 nan 0.000 0.444 291 A N -0.489 122.362 122.820 0.053 0.000 1.930 291 A HA 0.213 4.533 4.320 -0.000 0.000 0.217 291 A C 2.465 180.094 177.584 0.076 0.000 1.175 291 A CA 1.995 54.072 52.037 0.068 0.000 0.627 291 A CB -0.890 18.172 19.000 0.102 0.000 0.815 291 A HN 1.074 nan 8.150 nan 0.000 0.443 292 A N -0.358 122.507 122.820 0.075 0.000 1.968 292 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 292 A C 1.848 179.453 177.584 0.036 0.000 1.169 292 A CA 1.402 53.465 52.037 0.044 0.000 0.638 292 A CB -0.423 18.414 19.000 -0.272 0.000 0.812 292 A HN 0.610 nan 8.150 nan 0.000 0.446 293 E N -0.217 119.969 120.200 -0.022 0.000 2.204 293 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 293 E C 1.940 178.571 176.600 0.050 0.000 0.990 293 E CA 0.741 57.146 56.400 0.008 0.000 0.821 293 E CB -0.190 29.503 29.700 -0.012 0.000 0.750 293 E HN 0.622 nan 8.360 nan 0.000 0.477 294 A N 0.463 123.305 122.820 0.036 0.000 2.206 294 A HA 0.062 4.382 4.320 -0.000 0.000 0.211 294 A C 0.872 178.456 177.584 -0.001 0.000 1.158 294 A CA 0.370 52.418 52.037 0.019 0.000 0.761 294 A CB -0.068 18.938 19.000 0.010 0.000 0.801 294 A HN 0.039 nan 8.150 nan 0.000 0.473 295 L N -1.233 119.987 121.223 -0.005 0.000 2.331 295 L HA 0.494 4.834 4.340 -0.000 0.000 0.268 295 L C 0.049 176.790 176.870 -0.215 0.000 1.015 295 L CA -0.680 54.069 54.840 -0.152 0.000 0.807 295 L CB 1.842 43.730 42.059 -0.285 0.000 1.293 295 L HN -0.055 nan 8.230 nan 0.000 0.451 296 S N -0.890 114.594 115.700 -0.359 0.000 2.537 296 S HA 0.673 5.143 4.470 -0.000 0.000 0.301 296 S C -1.198 173.044 174.600 -0.598 0.000 1.092 296 S CA -0.431 57.610 58.200 -0.265 0.000 1.048 296 S CB 1.135 64.275 63.200 -0.100 0.000 1.053 296 S HN 0.246 nan 8.310 nan 0.000 0.501 297 Y N 0.442 120.571 120.300 -0.286 0.000 2.621 297 Y HA 0.762 5.312 4.550 -0.000 0.000 0.334 297 Y C 0.907 176.660 175.900 -0.245 0.000 1.074 297 Y CA 0.063 57.910 58.100 -0.423 0.000 1.149 297 Y CB 1.473 39.337 38.460 -0.992 0.000 1.302 297 Y HN 1.007 nan 8.280 nan 0.000 0.501 298 G N 0.110 108.975 108.800 0.109 0.000 2.582 298 G HA2 0.188 4.148 3.960 -0.000 0.000 0.222 298 G HA3 0.188 4.148 3.960 -0.000 0.000 0.222 298 G C -1.292 173.662 174.900 0.090 0.000 1.311 298 G CA -0.641 44.581 45.100 0.203 0.000 0.915 298 G HN 1.140 nan 8.290 nan 0.000 0.528 299 A N 0.029 122.828 122.820 -0.035 0.000 2.650 299 A HA 0.645 4.965 4.320 -0.000 0.000 0.320 299 A C 0.465 177.855 177.584 -0.323 0.000 1.466 299 A CA 0.132 51.872 52.037 -0.494 0.000 1.099 299 A CB -0.080 18.544 19.000 -0.628 0.000 1.136 299 A HN 0.603 nan 8.150 nan 0.000 0.532 300 Q N 1.532 121.164 119.800 -0.279 0.000 2.423 300 Q HA 0.372 4.712 4.340 -0.000 0.000 0.235 300 Q C -0.702 175.197 176.000 -0.169 0.000 1.100 300 Q CA -0.124 55.592 55.803 -0.146 0.000 0.908 300 Q CB 1.040 29.724 28.738 -0.091 0.000 1.312 300 Q HN 0.696 nan 8.270 nan 0.000 0.497 301 L N 2.671 123.812 121.223 -0.137 0.000 2.289 301 L HA 0.476 4.816 4.340 -0.000 0.000 0.285 301 L C 0.065 176.895 176.870 -0.066 0.000 1.049 301 L CA 0.191 54.964 54.840 -0.113 0.000 0.804 301 L CB 1.313 43.309 42.059 -0.106 0.000 1.195 301 L HN 0.622 nan 8.230 nan 0.000 0.428 302 T N -0.445 114.074 114.554 -0.058 0.000 2.768 302 T HA 0.344 4.694 4.350 -0.000 0.000 0.268 302 T C 0.325 175.004 174.700 -0.035 0.000 0.969 302 T CA -0.388 61.687 62.100 -0.041 0.000 1.008 302 T CB 0.935 69.780 68.868 -0.039 0.000 1.371 302 T HN 0.504 nan 8.240 nan 0.000 0.587 303 D N -0.503 119.881 120.400 -0.027 0.000 2.328 303 D HA 0.140 4.779 4.640 -0.000 0.000 0.221 303 D C 1.239 177.526 176.300 -0.021 0.000 1.072 303 D CA 0.333 54.320 54.000 -0.022 0.000 0.850 303 D CB -0.140 40.650 40.800 -0.018 0.000 0.922 303 D HN 0.555 nan 8.370 nan 0.000 0.516 304 S N -1.714 113.970 115.700 -0.026 0.000 2.819 304 S HA 0.589 5.058 4.470 -0.000 0.000 0.249 304 S C 0.694 175.275 174.600 -0.032 0.000 1.030 304 S CA 0.041 58.225 58.200 -0.026 0.000 1.052 304 S CB 1.181 64.365 63.200 -0.027 0.000 1.017 304 S HN 0.237 nan 8.310 nan 0.000 0.576 305 G N 0.182 108.962 108.800 -0.034 0.000 2.368 305 G HA2 0.382 4.342 3.960 -0.000 0.000 0.302 305 G HA3 0.382 4.342 3.960 -0.000 0.000 0.302 305 G C -1.984 172.886 174.900 -0.050 0.000 1.329 305 G CA -0.041 45.036 45.100 -0.039 0.000 0.935 305 G HN 0.971 nan 8.290 nan 0.000 0.590 306 V N -0.727 119.158 119.914 -0.048 0.000 2.888 306 V HA 0.891 5.011 4.120 -0.000 0.000 0.309 306 V C -0.776 175.279 176.094 -0.064 0.000 1.114 306 V CA -0.068 62.175 62.300 -0.096 0.000 0.940 306 V CB 2.341 34.092 31.823 -0.119 0.000 1.021 306 V HN 1.290 nan 8.190 nan 0.000 0.426 307 T N 6.908 121.386 114.554 -0.128 0.000 2.890 307 T HA 0.597 4.946 4.350 -0.000 0.000 0.295 307 T C -1.037 173.643 174.700 -0.034 0.000 0.993 307 T CA 0.021 62.112 62.100 -0.016 0.000 0.979 307 T CB 0.654 69.495 68.868 -0.045 0.000 0.967 307 T HN 0.401 nan 8.240 nan 0.000 0.441 308 F N 2.548 122.568 119.950 0.118 0.000 2.404 308 F HA 0.689 5.216 4.527 -0.000 0.000 0.339 308 F C 0.785 176.694 175.800 0.182 0.000 1.105 308 F CA -0.925 57.178 58.000 0.171 0.000 1.087 308 F CB 1.211 40.368 39.000 0.262 0.000 1.143 308 F HN 0.252 nan 8.300 nan 0.000 0.491 309 R N 2.133 122.831 120.500 0.330 0.000 2.548 309 R HA 0.746 5.086 4.340 -0.000 0.000 0.280 309 R C -2.391 174.096 176.300 0.311 0.000 1.061 309 R CA -0.648 55.581 56.100 0.216 0.000 0.915 309 R CB 2.186 32.447 30.300 -0.066 0.000 1.210 309 R HN 0.613 nan 8.270 nan 0.000 0.442 310 V N 5.029 125.115 119.914 0.287 0.000 2.760 310 V HA 0.531 4.651 4.120 -0.000 0.000 0.309 310 V C -1.612 174.727 176.094 0.409 0.000 1.077 310 V CA -0.745 61.700 62.300 0.242 0.000 0.910 310 V CB 1.777 33.371 31.823 -0.382 0.000 1.008 310 V HN 0.857 nan 8.190 nan 0.000 0.424 311 W N 6.734 128.132 121.300 0.163 0.000 2.335 311 W HA 0.703 5.363 4.660 -0.000 0.000 0.306 311 W C 0.054 176.629 176.519 0.093 0.000 1.216 311 W CA -0.185 57.230 57.345 0.116 0.000 1.237 311 W CB 1.226 30.607 29.460 -0.131 0.000 1.243 311 W HN 0.819 nan 8.180 nan 0.000 0.493 312 A N 9.297 131.938 122.820 -0.299 0.000 3.422 312 A HA 0.264 4.584 4.320 -0.000 0.000 0.271 312 A C -1.711 175.655 177.584 -0.363 0.000 1.104 312 A CA -0.730 51.093 52.037 -0.357 0.000 0.899 312 A CB 0.408 19.303 19.000 -0.174 0.000 1.309 312 A HN 0.476 nan 8.150 nan 0.000 0.580 313 P HA -0.158 nan 4.420 nan 0.000 0.221 313 P C 1.151 178.165 177.300 -0.477 0.000 1.145 313 P CA 2.103 64.664 63.100 -0.898 0.000 0.795 313 P CB -0.009 30.825 31.700 -1.443 0.000 0.775 314 T N -4.504 109.859 114.554 -0.320 0.000 3.023 314 T HA 0.453 4.803 4.350 -0.000 0.000 0.253 314 T C 1.005 175.683 174.700 -0.036 0.000 1.038 314 T CA -0.104 61.918 62.100 -0.130 0.000 0.962 314 T CB -0.389 68.416 68.868 -0.105 0.000 1.018 314 T HN 0.073 nan 8.240 nan 0.000 0.521 315 A N 1.466 124.270 122.820 -0.027 0.000 2.445 315 A HA 0.341 4.661 4.320 -0.000 0.000 0.242 315 A C 1.228 178.875 177.584 0.106 0.000 1.075 315 A CA -0.317 51.706 52.037 -0.024 0.000 0.777 315 A CB 0.270 19.155 19.000 -0.192 0.000 1.013 315 A HN 0.517 nan 8.150 nan 0.000 0.493 316 Q N -0.116 119.708 119.800 0.040 0.000 2.250 316 Q HA 0.026 4.366 4.340 -0.000 0.000 0.200 316 Q C -0.165 175.917 176.000 0.137 0.000 0.941 316 Q CA 0.906 56.787 55.803 0.130 0.000 0.872 316 Q CB 0.210 28.988 28.738 0.067 0.000 0.965 316 Q HN 0.853 nan 8.270 nan 0.000 0.480 317 Q N -0.337 119.404 119.800 -0.099 0.000 2.391 317 Q HA 0.561 4.900 4.340 -0.000 0.000 0.279 317 Q C -1.666 173.982 176.000 -0.585 0.000 1.028 317 Q CA -0.577 55.080 55.803 -0.243 0.000 0.836 317 Q CB 3.092 31.784 28.738 -0.076 0.000 1.414 317 Q HN -0.131 nan 8.270 nan 0.000 0.397 318 V N 1.194 120.629 119.914 -0.799 0.000 2.711 318 V HA 0.398 4.518 4.120 -0.000 0.000 0.304 318 V C -0.985 174.950 176.094 -0.266 0.000 1.097 318 V CA -0.697 61.202 62.300 -0.668 0.000 0.906 318 V CB 2.091 33.197 31.823 -1.196 0.000 1.015 318 V HN 0.701 nan 8.190 nan 0.000 0.427 319 E N 3.082 123.221 120.200 -0.102 0.000 2.238 319 E HA 0.521 4.871 4.350 -0.000 0.000 0.267 319 E C -1.402 175.212 176.600 0.024 0.000 0.887 319 E CA -1.110 55.271 56.400 -0.032 0.000 0.769 319 E CB 3.203 32.871 29.700 -0.053 0.000 1.187 319 E HN 0.487 nan 8.360 nan 0.000 0.416 320 L N 3.319 124.511 121.223 -0.052 0.000 2.261 320 L HA 0.231 4.570 4.340 -0.000 0.000 0.289 320 L C -1.178 175.560 176.870 -0.221 0.000 1.059 320 L CA -0.404 54.367 54.840 -0.114 0.000 0.816 320 L CB 0.938 42.780 42.059 -0.363 0.000 1.191 320 L HN 0.236 nan 8.230 nan 0.000 0.431 321 V N 6.755 126.605 119.914 -0.108 0.000 2.350 321 V HA 0.403 4.523 4.120 -0.000 0.000 0.276 321 V C 0.249 176.291 176.094 -0.087 0.000 1.028 321 V CA -0.641 61.565 62.300 -0.156 0.000 0.860 321 V CB 1.108 32.901 31.823 -0.051 0.000 0.990 321 V HN 0.508 nan 8.190 nan 0.000 0.453 322 I N 5.302 125.738 120.570 -0.224 0.000 2.353 322 I HA 0.449 4.619 4.170 -0.000 0.000 0.293 322 I C -0.422 175.611 176.117 -0.140 0.000 0.992 322 I CA -0.455 60.808 61.300 -0.062 0.000 1.268 322 I CB 1.017 38.967 38.000 -0.083 0.000 1.387 322 I HN 0.506 nan 8.210 nan 0.000 0.478 323 Y N 3.043 123.403 120.300 0.099 0.000 2.468 323 Y HA 0.356 4.906 4.550 -0.000 0.000 0.342 323 Y C 0.969 176.926 175.900 0.095 0.000 1.021 323 Y CA -0.564 57.572 58.100 0.060 0.000 1.079 323 Y CB 1.850 40.300 38.460 -0.017 0.000 1.226 323 Y HN 0.624 nan 8.280 nan 0.000 0.460 324 S N 0.583 116.405 115.700 0.204 0.000 2.641 324 S HA 0.447 4.917 4.470 -0.000 0.000 0.261 324 S C 1.296 176.023 174.600 0.212 0.000 1.257 324 S CA -0.225 58.072 58.200 0.161 0.000 0.983 324 S CB 1.037 64.289 63.200 0.087 0.000 0.990 324 S HN 0.871 nan 8.310 nan 0.000 0.572 325 A N 0.392 123.333 122.820 0.202 0.000 1.978 325 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 325 A C 1.499 179.095 177.584 0.019 0.000 1.170 325 A CA 1.614 53.790 52.037 0.232 0.000 0.636 325 A CB -0.921 18.187 19.000 0.180 0.000 0.810 325 A HN 0.850 nan 8.150 nan 0.000 0.448 326 D N -0.101 120.303 120.400 0.008 0.000 2.324 326 D HA 0.052 4.692 4.640 -0.000 0.000 0.235 326 D C -0.220 176.031 176.300 -0.082 0.000 1.095 326 D CA 0.279 54.256 54.000 -0.038 0.000 0.871 326 D CB 0.130 40.929 40.800 -0.001 0.000 0.906 326 D HN 0.180 nan 8.370 nan 0.000 0.522 327 K N 0.610 120.927 120.400 -0.140 0.000 3.125 327 K HA -0.143 4.177 4.320 -0.000 0.000 0.268 327 K C -0.297 176.396 176.600 0.155 0.000 1.078 327 K CA 0.565 56.736 56.287 -0.194 0.000 0.775 327 K CB -1.690 30.537 32.500 -0.455 0.000 1.253 327 K HN 0.212 nan 8.250 nan 0.000 0.486 328 K N 0.252 120.757 120.400 0.175 0.000 2.164 328 K HA 0.404 4.723 4.320 -0.000 0.000 0.258 328 K C 0.307 176.933 176.600 0.042 0.000 0.951 328 K CA -0.941 55.424 56.287 0.130 0.000 0.844 328 K CB 1.861 34.390 32.500 0.048 0.000 1.099 328 K HN -0.090 nan 8.250 nan 0.000 0.435 329 V N 4.926 124.767 119.914 -0.120 0.000 2.485 329 V HA -0.048 4.072 4.120 -0.000 0.000 0.287 329 V C 1.662 177.612 176.094 -0.239 0.000 1.022 329 V CA 0.184 62.236 62.300 -0.413 0.000 1.067 329 V CB 0.006 31.609 31.823 -0.367 0.000 0.967 329 V HN 0.612 nan 8.190 nan 0.000 0.479 330 I N 3.518 123.941 120.570 -0.244 0.000 2.867 330 I HA 0.342 4.512 4.170 -0.000 0.000 0.265 330 I C 0.956 176.960 176.117 -0.188 0.000 1.162 330 I CA 1.030 62.244 61.300 -0.143 0.000 1.471 330 I CB -0.220 37.736 38.000 -0.073 0.000 1.123 330 I HN 0.742 nan 8.210 nan 0.000 0.440 331 A N -0.494 122.146 122.820 -0.300 0.000 2.583 331 A HA 0.585 4.905 4.320 -0.000 0.000 0.292 331 A C -0.851 176.397 177.584 -0.560 0.000 1.045 331 A CA -0.359 51.423 52.037 -0.425 0.000 0.672 331 A CB 1.243 19.945 19.000 -0.497 0.000 1.283 331 A HN -0.075 nan 8.150 nan 0.000 0.419 332 S N 0.790 116.133 115.700 -0.596 0.000 2.756 332 S HA 0.577 5.047 4.470 -0.000 0.000 0.303 332 S C -1.386 172.899 174.600 -0.525 0.000 1.135 332 S CA -0.509 57.404 58.200 -0.478 0.000 1.066 332 S CB 0.151 63.190 63.200 -0.268 0.000 1.008 332 S HN 0.628 nan 8.310 nan 0.000 0.482 333 H N 5.120 123.972 119.070 -0.364 0.000 2.541 333 H HA 0.367 4.922 4.556 -0.000 0.000 0.316 333 H C -2.521 172.672 175.328 -0.225 0.000 1.043 333 H CA -1.922 53.888 56.048 -0.396 0.000 1.232 333 H CB 1.222 30.364 29.762 -1.034 0.000 1.406 333 H HN 0.453 nan 8.280 nan 0.000 0.469 334 P HA 0.038 nan 4.420 nan 0.000 0.267 334 P C 0.121 177.566 177.300 0.242 0.000 1.205 334 P CA 0.025 63.198 63.100 0.122 0.000 0.765 334 P CB 0.977 32.760 31.700 0.139 0.000 0.828 335 M N 1.485 121.263 119.600 0.295 0.000 2.267 335 M HA 0.258 4.738 4.480 -0.000 0.000 0.303 335 M C 0.670 177.283 176.300 0.523 0.000 1.164 335 M CA 0.083 55.660 55.300 0.463 0.000 1.060 335 M CB 0.557 33.439 32.600 0.471 0.000 1.455 335 M HN 0.215 nan 8.290 nan 0.000 0.483 336 T N 1.420 116.213 114.554 0.398 0.000 2.758 336 T HA 0.342 4.692 4.350 -0.000 0.000 0.285 336 T C -0.334 174.329 174.700 -0.062 0.000 0.981 336 T CA -0.632 61.566 62.100 0.164 0.000 0.965 336 T CB 0.650 69.576 68.868 0.097 0.000 0.927 336 T HN 0.478 nan 8.240 nan 0.000 0.448 337 R N 2.427 122.647 120.500 -0.467 0.000 2.308 337 R HA 0.254 4.594 4.340 -0.000 0.000 0.305 337 R C -0.763 175.252 176.300 -0.475 0.000 1.053 337 R CA -0.539 54.975 56.100 -0.976 0.000 0.957 337 R CB 0.528 29.824 30.300 -1.672 0.000 1.022 337 R HN 0.537 nan 8.270 nan 0.000 0.461 338 D N 2.052 122.230 120.400 -0.371 0.000 2.317 338 D HA 0.048 4.687 4.640 -0.000 0.000 0.234 338 D C 1.002 177.219 176.300 -0.139 0.000 1.112 338 D CA -0.209 53.688 54.000 -0.172 0.000 0.840 338 D CB 1.523 42.277 40.800 -0.077 0.000 1.078 338 D HN 0.550 nan 8.370 nan 0.000 0.486 339 S N 3.122 118.768 115.700 -0.090 0.000 2.383 339 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 339 S C 2.038 176.698 174.600 0.099 0.000 1.030 339 S CA 0.843 59.034 58.200 -0.015 0.000 1.002 339 S CB -0.407 62.784 63.200 -0.015 0.000 0.829 339 S HN 0.490 nan 8.310 nan 0.000 0.467 340 A N 1.946 124.813 122.820 0.079 0.000 1.930 340 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 340 A C 2.509 180.240 177.584 0.246 0.000 1.175 340 A CA 1.916 54.023 52.037 0.118 0.000 0.627 340 A CB -0.885 18.152 19.000 0.061 0.000 0.815 340 A HN 0.830 nan 8.150 nan 0.000 0.443 341 S N -2.826 113.013 115.700 0.231 0.000 2.475 341 S HA 0.396 4.866 4.470 -0.000 0.000 0.224 341 S C 1.503 176.320 174.600 0.361 0.000 1.042 341 S CA 1.180 59.577 58.200 0.329 0.000 0.935 341 S CB -0.071 63.269 63.200 0.232 0.000 0.801 341 S HN 1.909 nan 8.310 nan 0.000 0.509 342 G N 1.173 110.010 108.800 0.061 0.000 2.143 342 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.249 342 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.249 342 G C 0.176 174.994 174.900 -0.137 0.000 0.981 342 G CA 0.046 44.957 45.100 -0.316 0.000 0.665 342 G HN 1.238 nan 8.290 nan 0.000 0.528 343 A N -0.923 121.963 122.820 0.110 0.000 2.295 343 A HA 0.782 5.101 4.320 -0.000 0.000 0.318 343 A C -0.381 177.231 177.584 0.046 0.000 1.134 343 A CA -0.401 51.811 52.037 0.293 0.000 0.827 343 A CB 0.790 20.053 19.000 0.440 0.000 1.136 343 A HN 0.692 nan 8.150 nan 0.000 0.493 344 W N 0.403 121.753 121.300 0.083 0.000 2.666 344 W HA 0.607 5.267 4.660 -0.000 0.000 0.334 344 W C 0.264 176.840 176.519 0.096 0.000 1.051 344 W CA 0.044 57.425 57.345 0.060 0.000 1.224 344 W CB 2.047 31.517 29.460 0.017 0.000 1.405 344 W HN 0.918 nan 8.180 nan 0.000 0.513 345 S N 0.875 116.769 115.700 0.324 0.000 2.651 345 S HA 0.802 5.272 4.470 -0.000 0.000 0.279 345 S C -1.930 172.899 174.600 0.382 0.000 1.148 345 S CA -0.847 57.530 58.200 0.296 0.000 0.837 345 S CB 2.268 65.555 63.200 0.146 0.000 1.138 345 S HN 0.572 nan 8.310 nan 0.000 0.478 346 W N 1.004 122.412 121.300 0.179 0.000 3.624 346 W HA 0.475 5.135 4.660 -0.000 0.000 0.312 346 W C -1.658 174.956 176.519 0.158 0.000 1.203 346 W CA -0.142 57.276 57.345 0.121 0.000 1.225 346 W CB 1.541 31.037 29.460 0.059 0.000 1.321 346 W HN 0.952 nan 8.180 nan 0.000 0.506 347 Q N 3.874 123.292 119.800 -0.636 0.000 2.316 347 Q HA 0.711 5.051 4.340 -0.000 0.000 0.264 347 Q C -0.178 175.249 176.000 -0.955 0.000 0.987 347 Q CA -0.333 55.169 55.803 -0.502 0.000 0.852 347 Q CB 1.770 30.305 28.738 -0.338 0.000 1.287 347 Q HN 0.733 nan 8.270 nan 0.000 0.448 348 G N 1.356 109.904 108.800 -0.420 0.000 3.086 348 G HA2 0.698 4.658 3.960 -0.000 0.000 0.282 348 G HA3 0.698 4.658 3.960 -0.000 0.000 0.282 348 G C -0.797 174.070 174.900 -0.055 0.000 1.343 348 G CA -0.458 44.476 45.100 -0.276 0.000 0.895 348 G HN 0.676 nan 8.290 nan 0.000 0.557 349 G N -1.079 107.740 108.800 0.031 0.000 2.502 349 G HA2 0.424 4.384 3.960 -0.000 0.000 0.305 349 G HA3 0.424 4.384 3.960 -0.000 0.000 0.305 349 G C 1.262 176.189 174.900 0.045 0.000 1.190 349 G CA 0.821 45.935 45.100 0.023 0.000 0.933 349 G HN 1.257 nan 8.290 nan 0.000 0.503 350 S N -0.427 115.284 115.700 0.018 0.000 2.500 350 S HA -0.145 4.325 4.470 -0.000 0.000 0.239 350 S C 1.520 176.136 174.600 0.026 0.000 0.989 350 S CA 1.480 59.687 58.200 0.012 0.000 0.951 350 S CB -0.193 63.006 63.200 -0.003 0.000 0.759 350 S HN 0.723 nan 8.310 nan 0.000 0.523 351 D N 1.753 122.179 120.400 0.043 0.000 2.350 351 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 351 D C 1.547 177.886 176.300 0.064 0.000 0.968 351 D CA 0.401 54.429 54.000 0.047 0.000 0.894 351 D CB -0.408 40.424 40.800 0.053 0.000 0.909 351 D HN 0.468 nan 8.370 nan 0.000 0.520 352 L N -0.009 121.270 121.223 0.093 0.000 2.599 352 L HA 0.036 4.376 4.340 -0.000 0.000 0.230 352 L C 1.370 178.280 176.870 0.067 0.000 1.141 352 L CA -0.173 54.741 54.840 0.124 0.000 0.877 352 L CB -0.300 41.905 42.059 0.243 0.000 1.009 352 L HN -0.090 nan 8.230 nan 0.000 0.447 353 K N 0.935 121.349 120.400 0.024 0.000 2.472 353 K HA 0.071 4.391 4.320 -0.000 0.000 0.280 353 K C 1.143 177.722 176.600 -0.036 0.000 1.028 353 K CA 0.950 57.229 56.287 -0.014 0.000 1.045 353 K CB 0.278 32.767 32.500 -0.018 0.000 0.902 353 K HN 0.214 nan 8.250 nan 0.000 0.478 354 G N 1.979 110.735 108.800 -0.073 0.000 2.199 354 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.254 354 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.254 354 G C 0.190 174.919 174.900 -0.284 0.000 0.982 354 G CA 0.166 45.169 45.100 -0.162 0.000 0.632 354 G HN 0.974 nan 8.290 nan 0.000 0.529 355 A N -0.248 122.495 122.820 -0.129 0.000 2.386 355 A HA 0.695 5.015 4.320 -0.000 0.000 0.248 355 A C 0.035 177.564 177.584 -0.092 0.000 1.082 355 A CA 0.041 52.030 52.037 -0.080 0.000 0.789 355 A CB 0.276 19.334 19.000 0.097 0.000 1.025 355 A HN 0.612 nan 8.150 nan 0.000 0.490 356 F N 0.400 120.473 119.950 0.206 0.000 2.397 356 F HA 0.577 5.104 4.527 -0.000 0.000 0.331 356 F C 0.188 176.222 175.800 0.391 0.000 1.090 356 F CA 0.307 58.435 58.000 0.212 0.000 1.065 356 F CB 1.335 40.331 39.000 -0.008 0.000 1.184 356 F HN 0.670 nan 8.300 nan 0.000 0.499 357 Y N -0.480 120.048 120.300 0.380 0.000 2.656 357 Y HA 0.821 5.370 4.550 -0.000 0.000 0.334 357 Y C -1.402 174.580 175.900 0.138 0.000 1.179 357 Y CA -1.663 56.596 58.100 0.264 0.000 1.050 357 Y CB 1.492 40.006 38.460 0.090 0.000 1.308 357 Y HN 0.557 nan 8.280 nan 0.000 0.456 358 R N 0.472 121.029 120.500 0.095 0.000 2.764 358 R HA 0.431 4.770 4.340 -0.000 0.000 0.270 358 R C -2.222 174.034 176.300 -0.073 0.000 1.014 358 R CA -1.254 54.784 56.100 -0.103 0.000 0.904 358 R CB 2.268 32.572 30.300 0.008 0.000 1.236 358 R HN 0.717 nan 8.270 nan 0.000 0.466 359 Y N 0.182 120.576 120.300 0.157 0.000 2.331 359 Y HA 0.450 4.999 4.550 -0.000 0.000 0.338 359 Y C 0.243 176.185 175.900 0.070 0.000 0.976 359 Y CA -0.830 57.337 58.100 0.112 0.000 1.137 359 Y CB 1.947 40.478 38.460 0.119 0.000 1.172 359 Y HN 0.626 nan 8.280 nan 0.000 0.478 360 A N 5.933 128.858 122.820 0.175 0.000 2.350 360 A HA 0.584 4.904 4.320 -0.000 0.000 0.293 360 A C -0.253 177.353 177.584 0.036 0.000 1.231 360 A CA -0.567 51.529 52.037 0.099 0.000 0.883 360 A CB -0.237 18.786 19.000 0.039 0.000 1.133 360 A HN 0.622 nan 8.150 nan 0.000 0.533 361 M N 1.936 121.582 119.600 0.076 0.000 2.363 361 M HA 0.410 4.889 4.480 -0.000 0.000 0.343 361 M C -0.386 175.832 176.300 -0.137 0.000 1.165 361 M CA -0.004 55.285 55.300 -0.019 0.000 1.046 361 M CB 1.108 33.801 32.600 0.155 0.000 1.648 361 M HN 0.487 nan 8.290 nan 0.000 0.452 362 T N 2.074 116.522 114.554 -0.177 0.000 3.068 362 T HA 0.560 4.910 4.350 -0.000 0.000 0.364 362 T C -0.950 173.658 174.700 -0.155 0.000 1.161 362 T CA -0.498 61.496 62.100 -0.176 0.000 1.155 362 T CB 0.894 69.690 68.868 -0.120 0.000 1.060 362 T HN 0.565 nan 8.240 nan 0.000 0.513 363 V N 3.850 123.659 119.914 -0.175 0.000 2.971 363 V HA 0.613 4.733 4.120 -0.000 0.000 0.309 363 V C -1.686 174.366 176.094 -0.070 0.000 1.130 363 V CA -1.150 61.092 62.300 -0.096 0.000 0.964 363 V CB 2.152 33.936 31.823 -0.064 0.000 1.029 363 V HN 0.770 nan 8.190 nan 0.000 0.427 364 Y N 5.871 126.093 120.300 -0.130 0.000 2.402 364 Y HA 0.460 5.010 4.550 -0.000 0.000 0.333 364 Y C -0.176 175.657 175.900 -0.111 0.000 1.076 364 Y CA 0.115 58.144 58.100 -0.119 0.000 1.299 364 Y CB 0.376 38.757 38.460 -0.131 0.000 1.197 364 Y HN 0.806 nan 8.280 nan 0.000 0.517 365 H N 8.916 127.453 119.070 -0.888 0.000 2.551 365 H HA 0.299 4.855 4.556 -0.000 0.000 0.321 365 H C -2.155 172.470 175.328 -1.172 0.000 1.028 365 H CA -2.610 52.983 56.048 -0.759 0.000 1.215 365 H CB 2.109 31.673 29.762 -0.329 0.000 1.414 365 H HN 0.508 nan 8.280 nan 0.000 0.480 366 P HA -0.177 nan 4.420 nan 0.000 0.217 366 P C 1.503 178.497 177.300 -0.510 0.000 1.148 366 P CA 1.232 63.711 63.100 -1.035 0.000 0.828 366 P CB 0.349 30.860 31.700 -1.981 0.000 0.783 367 Q N 0.121 119.841 119.800 -0.133 0.000 2.124 367 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 367 Q C 1.797 177.791 176.000 -0.009 0.000 0.977 367 Q CA 2.168 58.047 55.803 0.126 0.000 0.850 367 Q CB -0.268 28.608 28.738 0.231 0.000 0.901 367 Q HN 0.288 nan 8.270 nan 0.000 0.429 368 S N -1.267 114.363 115.700 -0.117 0.000 2.511 368 S HA 0.184 4.654 4.470 -0.000 0.000 0.214 368 S C 0.358 174.910 174.600 -0.080 0.000 0.997 368 S CA -0.026 58.114 58.200 -0.100 0.000 0.908 368 S CB 0.214 63.334 63.200 -0.134 0.000 0.803 368 S HN 0.442 nan 8.310 nan 0.000 0.504 369 R N 1.181 121.589 120.500 -0.152 0.000 3.531 369 R HA -0.154 4.186 4.340 -0.000 0.000 0.280 369 R C -0.643 175.730 176.300 0.122 0.000 1.130 369 R CA 1.291 57.400 56.100 0.015 0.000 0.757 369 R CB -2.207 28.155 30.300 0.102 0.000 1.218 369 R HN 0.840 nan 8.270 nan 0.000 0.454 370 K N -1.897 118.478 120.400 -0.042 0.000 2.512 370 K HA 0.495 4.814 4.320 -0.000 0.000 0.263 370 K C -0.366 176.244 176.600 0.016 0.000 0.966 370 K CA -1.080 55.236 56.287 0.048 0.000 0.851 370 K CB 1.892 34.387 32.500 -0.008 0.000 1.395 370 K HN -0.091 nan 8.250 nan 0.000 0.440 371 V N 3.027 122.970 119.914 0.048 0.000 2.352 371 V HA 0.059 4.179 4.120 -0.000 0.000 0.253 371 V C 0.154 176.174 176.094 -0.123 0.000 1.083 371 V CA -0.255 62.036 62.300 -0.015 0.000 0.993 371 V CB -0.156 31.650 31.823 -0.029 0.000 1.111 371 V HN 0.633 nan 8.190 nan 0.000 0.490 372 E N 3.494 123.563 120.200 -0.219 0.000 2.392 372 E HA 0.284 4.634 4.350 -0.000 0.000 0.259 372 E C -0.214 176.059 176.600 -0.545 0.000 1.108 372 E CA -0.291 55.866 56.400 -0.404 0.000 0.916 372 E CB 1.225 30.570 29.700 -0.590 0.000 0.989 372 E HN 0.621 nan 8.360 nan 0.000 0.432 373 Q N 1.841 121.317 119.800 -0.540 0.000 2.294 373 Q HA 0.339 4.679 4.340 -0.000 0.000 0.264 373 Q C -1.916 173.929 176.000 -0.258 0.000 0.992 373 Q CA -0.549 55.029 55.803 -0.374 0.000 0.747 373 Q CB 0.683 29.322 28.738 -0.165 0.000 1.262 373 Q HN 0.556 nan 8.270 nan 0.000 0.452 374 Y N -0.411 119.887 120.300 -0.003 0.000 2.677 374 Y HA 0.598 5.148 4.550 -0.000 0.000 0.334 374 Y C -0.727 175.183 175.900 0.018 0.000 1.196 374 Y CA -1.379 56.724 58.100 0.005 0.000 1.059 374 Y CB 1.344 39.806 38.460 0.003 0.000 1.315 374 Y HN 0.307 nan 8.280 nan 0.000 0.455 375 E N 1.786 122.131 120.200 0.241 0.000 2.197 375 E HA 0.584 4.934 4.350 -0.000 0.000 0.281 375 E C -1.269 175.369 176.600 0.063 0.000 0.995 375 E CA -0.938 55.550 56.400 0.148 0.000 0.808 375 E CB 2.530 32.291 29.700 0.100 0.000 1.093 375 E HN 0.446 nan 8.360 nan 0.000 0.394 376 V N 1.904 121.872 119.914 0.090 0.000 2.823 376 V HA 0.303 4.423 4.120 -0.000 0.000 0.312 376 V C 0.363 176.494 176.094 0.062 0.000 1.072 376 V CA -1.078 61.250 62.300 0.046 0.000 0.937 376 V CB 1.933 33.800 31.823 0.072 0.000 1.013 376 V HN 0.847 nan 8.190 nan 0.000 0.430 377 T N -0.746 113.827 114.554 0.030 0.000 2.788 377 T HA 0.217 4.566 4.350 -0.000 0.000 0.287 377 T C -0.154 174.644 174.700 0.163 0.000 1.007 377 T CA -0.480 61.614 62.100 -0.009 0.000 1.005 377 T CB 0.768 69.652 68.868 0.027 0.000 1.012 377 T HN 0.673 nan 8.240 nan 0.000 0.530 378 D N 2.058 122.521 120.400 0.106 0.000 2.343 378 D HA 0.168 4.808 4.640 -0.000 0.000 0.255 378 D C -1.038 175.494 176.300 0.386 0.000 1.187 378 D CA -2.242 51.990 54.000 0.388 0.000 0.875 378 D CB 1.387 42.430 40.800 0.406 0.000 1.136 378 D HN 0.259 nan 8.370 nan 0.000 0.469 379 P HA -0.148 nan 4.420 nan 0.000 0.222 379 P C 0.667 178.174 177.300 0.345 0.000 1.147 379 P CA 0.936 64.242 63.100 0.343 0.000 0.790 379 P CB 0.070 31.948 31.700 0.298 0.000 0.780 380 Y N -0.114 120.322 120.300 0.227 0.000 2.571 380 Y HA 0.402 4.951 4.550 -0.000 0.000 0.275 380 Y C 1.341 177.165 175.900 -0.126 0.000 1.179 380 Y CA -0.809 57.353 58.100 0.103 0.000 1.242 380 Y CB -0.219 38.322 38.460 0.136 0.000 1.126 380 Y HN -0.088 nan 8.280 nan 0.000 0.524 381 A N -0.318 122.576 122.820 0.123 0.000 2.561 381 A HA -0.038 4.282 4.320 -0.000 0.000 0.234 381 A C 0.169 177.732 177.584 -0.035 0.000 1.055 381 A CA 0.528 52.565 52.037 -0.001 0.000 0.756 381 A CB 0.054 18.986 19.000 -0.115 0.000 0.986 381 A HN 0.741 nan 8.150 nan 0.000 0.505 382 H N -0.121 118.988 119.070 0.064 0.000 3.058 382 H HA 0.369 4.925 4.556 -0.000 0.000 0.266 382 H C 0.066 175.382 175.328 -0.019 0.000 1.135 382 H CA 0.544 56.596 56.048 0.006 0.000 1.174 382 H CB 0.782 30.553 29.762 0.015 0.000 1.581 382 H HN 0.593 nan 8.280 nan 0.000 0.553 383 S N 0.626 116.372 115.700 0.077 0.000 2.547 383 S HA 0.606 5.075 4.470 -0.000 0.000 0.270 383 S C -1.895 172.691 174.600 -0.023 0.000 1.150 383 S CA -0.633 57.585 58.200 0.029 0.000 0.850 383 S CB 1.160 64.384 63.200 0.040 0.000 1.118 383 S HN 0.175 nan 8.310 nan 0.000 0.461 384 L N 2.082 123.297 121.223 -0.013 0.000 2.479 384 L HA 0.631 4.971 4.340 -0.000 0.000 0.255 384 L C 0.110 177.035 176.870 0.091 0.000 1.026 384 L CA -0.917 53.902 54.840 -0.035 0.000 0.842 384 L CB 2.344 44.269 42.059 -0.224 0.000 1.444 384 L HN 0.775 nan 8.230 nan 0.000 0.409 385 S N -1.457 114.284 115.700 0.068 0.000 2.686 385 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 385 S C -0.043 174.471 174.600 -0.143 0.000 1.194 385 S CA -0.615 57.560 58.200 -0.041 0.000 0.990 385 S CB 1.065 64.064 63.200 -0.334 0.000 1.029 385 S HN 0.536 nan 8.310 nan 0.000 0.560 386 T N 2.636 117.048 114.554 -0.237 0.000 2.908 386 T HA 0.152 4.502 4.350 -0.000 0.000 0.301 386 T C 0.818 175.221 174.700 -0.496 0.000 1.019 386 T CA 0.832 62.664 62.100 -0.447 0.000 1.152 386 T CB -0.826 67.591 68.868 -0.751 0.000 0.966 386 T HN 0.813 nan 8.240 nan 0.000 0.540 387 N N 1.276 119.731 118.700 -0.409 0.000 2.800 387 N HA -0.286 4.453 4.740 -0.000 0.000 0.250 387 N C 0.036 175.490 175.510 -0.093 0.000 1.078 387 N CA 0.494 53.427 53.050 -0.196 0.000 0.804 387 N CB -0.870 37.549 38.487 -0.112 0.000 1.135 387 N HN 0.821 nan 8.380 nan 0.000 0.565 388 S N -1.862 113.712 115.700 -0.211 0.000 3.561 388 S HA -0.221 4.249 4.470 -0.000 0.000 0.318 388 S C 0.805 175.238 174.600 -0.278 0.000 1.181 388 S CA 1.369 59.353 58.200 -0.359 0.000 0.916 388 S CB -1.273 61.462 63.200 -0.775 0.000 0.966 388 S HN 0.657 nan 8.310 nan 0.000 0.550 389 E N -0.736 119.371 120.200 -0.154 0.000 2.152 389 E HA -0.035 4.315 4.350 -0.000 0.000 0.192 389 E C -0.043 176.220 176.600 -0.563 0.000 0.983 389 E CA 1.018 57.263 56.400 -0.260 0.000 0.818 389 E CB 0.125 29.737 29.700 -0.146 0.000 0.758 389 E HN 0.760 nan 8.360 nan 0.000 0.467 390 Y N -0.607 119.536 120.300 -0.261 0.000 2.524 390 Y HA 0.301 4.850 4.550 -0.000 0.000 0.347 390 Y C 0.081 175.844 175.900 -0.227 0.000 1.005 390 Y CA -0.972 56.970 58.100 -0.264 0.000 1.025 390 Y CB 1.935 40.221 38.460 -0.290 0.000 1.275 390 Y HN -0.265 nan 8.280 nan 0.000 0.460 391 S N 1.243 116.799 115.700 -0.240 0.000 2.669 391 S HA 0.447 4.917 4.470 -0.000 0.000 0.270 391 S C -0.909 173.623 174.600 -0.114 0.000 1.225 391 S CA -0.838 57.138 58.200 -0.373 0.000 0.991 391 S CB 1.300 64.009 63.200 -0.819 0.000 0.987 391 S HN 0.606 nan 8.310 nan 0.000 0.552 392 Q N 0.780 120.610 119.800 0.051 0.000 2.331 392 Q HA 0.448 4.788 4.340 -0.000 0.000 0.272 392 Q C -1.749 174.402 176.000 0.252 0.000 1.062 392 Q CA -0.632 55.252 55.803 0.135 0.000 0.806 392 Q CB 1.569 30.255 28.738 -0.086 0.000 1.312 392 Q HN 0.488 nan 8.270 nan 0.000 0.431 393 V N 3.453 123.498 119.914 0.219 0.000 2.479 393 V HA 0.311 4.431 4.120 -0.000 0.000 0.281 393 V C -0.052 176.043 176.094 0.001 0.000 1.031 393 V CA 0.027 62.371 62.300 0.073 0.000 1.038 393 V CB 0.830 32.648 31.823 -0.009 0.000 0.981 393 V HN 0.545 nan 8.190 nan 0.000 0.478 394 V N 4.028 123.947 119.914 0.009 0.000 3.087 394 V HA 0.569 4.689 4.120 -0.000 0.000 0.306 394 V C -1.649 174.441 176.094 -0.005 0.000 1.187 394 V CA -0.640 61.657 62.300 -0.004 0.000 0.999 394 V CB 2.646 34.477 31.823 0.012 0.000 1.049 394 V HN 0.925 nan 8.190 nan 0.000 0.431 395 D N 4.212 124.594 120.400 -0.030 0.000 2.461 395 D HA 0.351 4.990 4.640 -0.000 0.000 0.240 395 D C 0.983 177.244 176.300 -0.065 0.000 1.094 395 D CA -0.274 53.703 54.000 -0.038 0.000 0.868 395 D CB 1.305 42.081 40.800 -0.040 0.000 1.062 395 D HN 0.507 nan 8.370 nan 0.000 0.530 396 L N 2.896 124.063 121.223 -0.093 0.000 2.450 396 L HA -0.116 4.224 4.340 -0.000 0.000 0.224 396 L C 1.271 178.051 176.870 -0.150 0.000 1.149 396 L CA 0.724 55.462 54.840 -0.169 0.000 0.816 396 L CB -0.330 41.565 42.059 -0.273 0.000 0.932 396 L HN 0.322 nan 8.230 nan 0.000 0.449 397 N N -1.039 117.607 118.700 -0.089 0.000 2.446 397 N HA -0.082 4.658 4.740 -0.000 0.000 0.179 397 N C 0.552 176.036 175.510 -0.043 0.000 1.054 397 N CA 0.071 53.090 53.050 -0.051 0.000 0.905 397 N CB 0.016 38.487 38.487 -0.028 0.000 0.973 397 N HN 0.201 nan 8.380 nan 0.000 0.448 398 D N 0.453 120.820 120.400 -0.057 0.000 2.533 398 D HA -0.061 4.579 4.640 -0.000 0.000 0.236 398 D C 0.989 177.260 176.300 -0.048 0.000 1.137 398 D CA 0.182 54.155 54.000 -0.046 0.000 0.867 398 D CB 0.770 41.540 40.800 -0.050 0.000 1.170 398 D HN 0.253 nan 8.370 nan 0.000 0.474 399 S N 3.125 118.810 115.700 -0.025 0.000 2.419 399 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 399 S C 1.885 176.467 174.600 -0.029 0.000 1.016 399 S CA 0.817 59.008 58.200 -0.015 0.000 0.974 399 S CB -0.087 63.115 63.200 0.003 0.000 0.786 399 S HN 0.523 nan 8.310 nan 0.000 0.492 400 A N 1.298 124.098 122.820 -0.033 0.000 2.121 400 A HA 0.316 4.636 4.320 -0.000 0.000 0.218 400 A C 1.916 179.468 177.584 -0.052 0.000 1.154 400 A CA 0.738 52.755 52.037 -0.032 0.000 0.679 400 A CB -0.554 18.431 19.000 -0.025 0.000 0.795 400 A HN 0.590 nan 8.150 nan 0.000 0.458 401 L N -1.106 120.068 121.223 -0.083 0.000 2.700 401 L HA 0.203 4.542 4.340 -0.000 0.000 0.234 401 L C -0.226 176.519 176.870 -0.208 0.000 1.156 401 L CA 0.086 54.853 54.840 -0.123 0.000 0.946 401 L CB -0.028 41.951 42.059 -0.133 0.000 1.216 401 L HN 0.160 nan 8.230 nan 0.000 0.493 402 K N 1.191 121.485 120.400 -0.177 0.000 2.378 402 K HA 0.456 4.775 4.320 -0.000 0.000 0.252 402 K C -2.520 174.025 176.600 -0.091 0.000 0.931 402 K CA -1.788 54.351 56.287 -0.247 0.000 0.794 402 K CB 2.226 34.629 32.500 -0.162 0.000 1.181 402 K HN -0.250 nan 8.250 nan 0.000 0.425 403 P HA 0.036 nan 4.420 nan 0.000 0.274 403 P C -0.666 176.702 177.300 0.113 0.000 1.237 403 P CA -0.365 62.760 63.100 0.042 0.000 0.793 403 P CB 0.637 32.382 31.700 0.075 0.000 0.977 404 E N 0.550 120.801 120.200 0.085 0.000 2.558 404 E HA 0.220 4.569 4.350 -0.000 0.000 0.255 404 E C 1.327 177.995 176.600 0.112 0.000 0.968 404 E CA 1.703 58.153 56.400 0.083 0.000 0.939 404 E CB -0.985 28.748 29.700 0.055 0.000 0.921 404 E HN 0.763 nan 8.360 nan 0.000 0.477 405 G N 4.833 113.699 108.800 0.111 0.000 2.159 405 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.256 405 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.256 405 G C 0.810 175.789 174.900 0.131 0.000 0.977 405 G CA 0.315 45.472 45.100 0.095 0.000 0.652 405 G HN 0.717 nan 8.290 nan 0.000 0.531 406 W N 1.155 122.456 121.300 0.002 0.000 2.317 406 W HA -0.178 4.482 4.660 -0.000 0.000 0.318 406 W C 1.561 178.081 176.519 0.002 0.000 1.227 406 W CA 2.218 59.565 57.345 0.005 0.000 1.269 406 W CB -0.267 29.194 29.460 0.003 0.000 1.155 406 W HN 0.334 nan 8.180 nan 0.000 0.484 407 D N -0.184 120.237 120.400 0.035 0.000 2.228 407 D HA -0.129 4.510 4.640 -0.000 0.000 0.203 407 D C 2.088 178.291 176.300 -0.162 0.000 0.988 407 D CA 1.852 55.796 54.000 -0.094 0.000 0.864 407 D CB -0.924 39.895 40.800 0.032 0.000 0.928 407 D HN 0.320 nan 8.370 nan 0.000 0.469 408 G N -0.072 108.655 108.800 -0.122 0.000 3.042 408 G HA2 0.071 4.030 3.960 -0.000 0.000 0.212 408 G HA3 0.071 4.030 3.960 -0.000 0.000 0.212 408 G C 0.498 175.305 174.900 -0.154 0.000 1.166 408 G CA -0.397 44.636 45.100 -0.112 0.000 0.767 408 G HN 0.136 nan 8.290 nan 0.000 0.546 409 L N 3.388 124.458 121.223 -0.256 0.000 2.559 409 L HA 0.314 4.654 4.340 -0.000 0.000 0.274 409 L C 0.786 177.527 176.870 -0.216 0.000 1.205 409 L CA 0.139 54.821 54.840 -0.264 0.000 0.907 409 L CB 0.227 42.010 42.059 -0.461 0.000 1.153 409 L HN 0.125 nan 8.230 nan 0.000 0.490 410 T N 2.764 117.231 114.554 -0.145 0.000 2.945 410 T HA 0.436 4.785 4.350 -0.000 0.000 0.286 410 T C 0.092 174.732 174.700 -0.099 0.000 1.025 410 T CA -0.968 61.065 62.100 -0.112 0.000 1.039 410 T CB 1.098 69.913 68.868 -0.087 0.000 1.068 410 T HN 0.691 nan 8.240 nan 0.000 0.497 411 M N 3.778 123.332 119.600 -0.076 0.000 2.143 411 M HA 0.217 4.697 4.480 -0.000 0.000 0.348 411 M C -1.316 174.935 176.300 -0.082 0.000 1.375 411 M CA -2.190 53.074 55.300 -0.059 0.000 1.124 411 M CB 1.200 33.789 32.600 -0.019 0.000 1.669 411 M HN 0.526 nan 8.290 nan 0.000 0.469 412 P HA -0.089 nan 4.420 nan 0.000 0.220 412 P C -0.603 176.456 177.300 -0.401 0.000 1.148 412 P CA 1.489 64.449 63.100 -0.234 0.000 0.803 412 P CB 0.065 31.629 31.700 -0.226 0.000 0.782 413 H N -0.689 118.332 119.070 -0.082 0.000 2.495 413 H HA 0.586 5.142 4.556 -0.000 0.000 0.348 413 H C -0.117 175.207 175.328 -0.006 0.000 1.113 413 H CA -0.732 55.288 56.048 -0.046 0.000 1.195 413 H CB 1.463 31.190 29.762 -0.058 0.000 1.521 413 H HN 0.022 nan 8.280 nan 0.000 0.509 414 A N 2.054 124.941 122.820 0.111 0.000 2.407 414 A HA 0.220 4.540 4.320 -0.000 0.000 0.248 414 A C 0.170 177.816 177.584 0.104 0.000 1.082 414 A CA -0.306 51.780 52.037 0.081 0.000 0.785 414 A CB 0.344 19.374 19.000 0.049 0.000 1.020 414 A HN 0.947 nan 8.150 nan 0.000 0.489 415 Q N 0.548 120.404 119.800 0.093 0.000 2.038 415 Q HA 0.117 4.457 4.340 -0.000 0.000 0.240 415 Q C 0.913 176.968 176.000 0.091 0.000 0.831 415 Q CA -0.142 55.716 55.803 0.092 0.000 1.068 415 Q CB 0.666 29.493 28.738 0.149 0.000 1.241 415 Q HN 0.884 nan 8.270 nan 0.000 0.435 416 K N 0.956 121.397 120.400 0.068 0.000 2.029 416 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 416 K C 1.050 177.685 176.600 0.058 0.000 1.042 416 K CA 1.490 57.813 56.287 0.061 0.000 0.949 416 K CB 0.296 32.820 32.500 0.040 0.000 0.740 416 K HN 0.221 nan 8.250 nan 0.000 0.442 417 T N -1.507 113.072 114.554 0.041 0.000 2.881 417 T HA 0.239 4.589 4.350 -0.000 0.000 0.278 417 T C 0.756 175.474 174.700 0.030 0.000 0.982 417 T CA -0.705 61.417 62.100 0.036 0.000 0.989 417 T CB 1.509 70.392 68.868 0.025 0.000 1.058 417 T HN 0.083 nan 8.240 nan 0.000 0.529 418 K N 0.378 120.796 120.400 0.030 0.000 2.097 418 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 418 K C 2.565 179.160 176.600 -0.008 0.000 1.049 418 K CA 1.175 57.471 56.287 0.015 0.000 0.933 418 K CB -0.557 31.959 32.500 0.027 0.000 0.717 418 K HN 0.709 nan 8.250 nan 0.000 0.442 419 A N 2.005 124.826 122.820 0.003 0.000 1.933 419 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 419 A C 1.604 179.186 177.584 -0.004 0.000 1.175 419 A CA 1.852 53.889 52.037 0.000 0.000 0.628 419 A CB -0.362 18.643 19.000 0.008 0.000 0.814 419 A HN 0.176 nan 8.150 nan 0.000 0.444 420 D N 0.174 120.575 120.400 0.003 0.000 2.097 420 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 420 D C 1.986 178.271 176.300 -0.025 0.000 0.989 420 D CA 1.115 55.121 54.000 0.010 0.000 0.827 420 D CB -0.427 40.389 40.800 0.028 0.000 0.966 420 D HN 0.442 nan 8.370 nan 0.000 0.456 421 L N 0.798 121.979 121.223 -0.070 0.000 2.042 421 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 421 L C 2.496 179.232 176.870 -0.223 0.000 1.076 421 L CA 1.122 55.845 54.840 -0.195 0.000 0.749 421 L CB -0.448 41.462 42.059 -0.249 0.000 0.893 421 L HN -0.019 nan 8.230 nan 0.000 0.432 422 A N -0.087 122.652 122.820 -0.135 0.000 2.070 422 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 422 A C 2.183 179.709 177.584 -0.097 0.000 1.159 422 A CA 1.427 53.396 52.037 -0.113 0.000 0.656 422 A CB -0.334 18.633 19.000 -0.055 0.000 0.800 422 A HN 0.356 nan 8.150 nan 0.000 0.453 423 K N -1.001 119.354 120.400 -0.075 0.000 2.486 423 K HA 0.110 4.430 4.320 -0.000 0.000 0.194 423 K C 0.735 177.275 176.600 -0.099 0.000 1.033 423 K CA -0.066 56.189 56.287 -0.053 0.000 1.004 423 K CB -0.191 32.308 32.500 -0.002 0.000 0.798 423 K HN 0.599 nan 8.250 nan 0.000 0.495 424 M N 1.955 121.449 119.600 -0.177 0.000 2.290 424 M HA -0.063 4.417 4.480 -0.000 0.000 0.356 424 M C -0.980 175.193 176.300 -0.210 0.000 1.448 424 M CA 1.176 56.301 55.300 -0.293 0.000 0.993 424 M CB 0.356 32.626 32.600 -0.551 0.000 1.934 424 M HN -0.105 nan 8.290 nan 0.000 0.461 425 T N 7.279 121.750 114.554 -0.138 0.000 3.008 425 T HA 0.487 4.837 4.350 -0.000 0.000 0.328 425 T C -0.393 174.298 174.700 -0.015 0.000 1.020 425 T CA -0.515 61.544 62.100 -0.069 0.000 1.043 425 T CB 0.255 69.085 68.868 -0.063 0.000 1.010 425 T HN 0.563 nan 8.240 nan 0.000 0.466 426 I N 2.393 122.950 120.570 -0.021 0.000 2.396 426 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 426 I C 0.137 176.220 176.117 -0.056 0.000 0.999 426 I CA -0.730 60.560 61.300 -0.017 0.000 1.310 426 I CB 0.861 38.844 38.000 -0.028 0.000 1.404 426 I HN 0.581 nan 8.210 nan 0.000 0.496 427 H N 4.979 123.983 119.070 -0.111 0.000 2.725 427 H HA 0.210 4.766 4.556 -0.000 0.000 0.283 427 H C -0.550 174.702 175.328 -0.127 0.000 1.110 427 H CA -0.462 55.526 56.048 -0.099 0.000 1.289 427 H CB 0.720 30.480 29.762 -0.004 0.000 1.400 427 H HN 0.509 nan 8.280 nan 0.000 0.493 428 E N 3.874 123.848 120.200 -0.377 0.000 2.166 428 E HA 0.184 4.534 4.350 -0.000 0.000 0.279 428 E C -0.653 175.863 176.600 -0.141 0.000 1.095 428 E CA -0.014 56.254 56.400 -0.219 0.000 0.888 428 E CB 0.370 29.939 29.700 -0.219 0.000 1.041 428 E HN 0.600 nan 8.360 nan 0.000 0.414 429 S N 3.234 118.908 115.700 -0.044 0.000 2.677 429 S HA 0.408 4.878 4.470 -0.000 0.000 0.304 429 S C -1.017 173.600 174.600 0.029 0.000 1.108 429 S CA -0.799 57.406 58.200 0.008 0.000 0.944 429 S CB 1.455 64.687 63.200 0.053 0.000 1.127 429 S HN 0.621 nan 8.310 nan 0.000 0.511 430 H N 0.272 119.316 119.070 -0.044 0.000 2.600 430 H HA 0.479 5.035 4.556 -0.000 0.000 0.357 430 H C 0.790 176.040 175.328 -0.130 0.000 1.106 430 H CA -0.816 55.179 56.048 -0.088 0.000 1.193 430 H CB 0.391 30.160 29.762 0.012 0.000 1.594 430 H HN 0.406 nan 8.280 nan 0.000 0.526 431 I N 3.188 123.322 120.570 -0.727 0.000 2.194 431 I HA -0.253 3.917 4.170 -0.000 0.000 0.246 431 I C 2.165 178.107 176.117 -0.293 0.000 1.093 431 I CA 1.436 62.338 61.300 -0.664 0.000 1.355 431 I CB -0.664 36.479 38.000 -1.428 0.000 1.046 431 I HN 0.730 nan 8.210 nan 0.000 0.413 432 R N 0.226 120.687 120.500 -0.065 0.000 2.093 432 R HA -0.101 4.239 4.340 -0.000 0.000 0.224 432 R C 1.854 178.384 176.300 0.384 0.000 1.101 432 R CA 0.967 57.216 56.100 0.249 0.000 0.979 432 R CB -0.196 30.344 30.300 0.400 0.000 0.877 432 R HN 0.323 nan 8.270 nan 0.000 0.441 433 D N 1.055 121.774 120.400 0.531 0.000 2.190 433 D HA -0.161 4.478 4.640 -0.000 0.000 0.200 433 D C 1.891 178.382 176.300 0.318 0.000 0.992 433 D CA 1.048 55.287 54.000 0.399 0.000 0.854 433 D CB -0.089 40.918 40.800 0.346 0.000 0.936 433 D HN 0.173 nan 8.370 nan 0.000 0.462 434 L N 0.143 121.516 121.223 0.251 0.000 2.023 434 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 434 L C 2.048 179.054 176.870 0.226 0.000 1.073 434 L CA 1.545 56.523 54.840 0.230 0.000 0.745 434 L CB -0.169 41.935 42.059 0.074 0.000 0.900 434 L HN 0.074 nan 8.230 nan 0.000 0.435 435 S N -2.057 113.734 115.700 0.153 0.000 2.666 435 S HA 0.280 4.750 4.470 -0.000 0.000 0.239 435 S C 1.620 176.298 174.600 0.129 0.000 1.031 435 S CA 0.134 58.409 58.200 0.126 0.000 1.015 435 S CB 0.592 63.815 63.200 0.038 0.000 0.981 435 S HN 0.172 nan 8.310 nan 0.000 0.547 436 A N 0.885 123.803 122.820 0.163 0.000 2.024 436 A HA 0.059 4.379 4.320 -0.000 0.000 0.220 436 A C 1.463 179.005 177.584 -0.070 0.000 1.164 436 A CA 1.037 53.105 52.037 0.051 0.000 0.643 436 A CB -0.868 18.184 19.000 0.088 0.000 0.806 436 A HN 0.773 nan 8.150 nan 0.000 0.451 437 W N -0.771 120.555 121.300 0.044 0.000 3.103 437 W HA 0.265 4.925 4.660 -0.000 0.000 0.325 437 W C -0.039 176.490 176.519 0.017 0.000 1.170 437 W CA -0.461 56.889 57.345 0.009 0.000 1.712 437 W CB 0.480 29.916 29.460 -0.039 0.000 1.068 437 W HN 0.102 nan 8.180 nan 0.000 0.592 438 D N 1.046 121.581 120.400 0.226 0.000 2.359 438 D HA -0.005 4.635 4.640 -0.000 0.000 0.250 438 D C 1.384 177.736 176.300 0.087 0.000 1.264 438 D CA 0.408 54.502 54.000 0.157 0.000 0.911 438 D CB 0.911 41.794 40.800 0.138 0.000 1.056 438 D HN 0.010 nan 8.370 nan 0.000 0.499 439 Q N 1.518 121.365 119.800 0.078 0.000 2.437 439 Q HA -0.079 4.261 4.340 -0.000 0.000 0.210 439 Q C 1.586 177.605 176.000 0.031 0.000 0.972 439 Q CA 0.876 56.705 55.803 0.044 0.000 0.903 439 Q CB -0.130 28.633 28.738 0.043 0.000 0.967 439 Q HN 0.599 nan 8.270 nan 0.000 0.486 440 T N -3.515 111.060 114.554 0.035 0.000 3.129 440 T HA 0.172 4.522 4.350 -0.000 0.000 0.251 440 T C 0.744 175.452 174.700 0.013 0.000 1.117 440 T CA -0.181 61.932 62.100 0.021 0.000 1.034 440 T CB 0.145 69.025 68.868 0.020 0.000 0.968 440 T HN -0.155 nan 8.240 nan 0.000 0.526 441 V N 3.376 123.300 119.914 0.016 0.000 2.439 441 V HA 0.372 4.491 4.120 -0.000 0.000 0.282 441 V C -2.284 173.813 176.094 0.006 0.000 1.039 441 V CA -2.394 59.910 62.300 0.007 0.000 0.913 441 V CB 1.385 33.214 31.823 0.009 0.000 0.983 441 V HN 0.197 nan 8.190 nan 0.000 0.460 442 P HA -0.015 nan 4.420 nan 0.000 0.261 442 P C 0.675 177.974 177.300 -0.001 0.000 1.173 442 P CA 0.456 63.557 63.100 0.001 0.000 0.760 442 P CB 0.616 32.317 31.700 0.002 0.000 0.783 443 A N 5.138 127.956 122.820 -0.004 0.000 1.903 443 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 443 A C 1.822 179.399 177.584 -0.011 0.000 1.191 443 A CA 1.995 54.026 52.037 -0.010 0.000 0.638 443 A CB -0.984 18.009 19.000 -0.011 0.000 0.823 443 A HN 0.678 nan 8.150 nan 0.000 0.451 444 E N 0.330 120.527 120.200 -0.006 0.000 2.478 444 E HA -0.067 4.283 4.350 -0.000 0.000 0.198 444 E C 1.377 177.975 176.600 -0.003 0.000 1.046 444 E CA 0.871 57.269 56.400 -0.004 0.000 0.870 444 E CB -0.363 29.337 29.700 0.001 0.000 0.818 444 E HN 0.674 nan 8.360 nan 0.000 0.527 445 L N 0.302 121.524 121.223 -0.003 0.000 2.693 445 L HA 0.260 4.600 4.340 -0.000 0.000 0.235 445 L C 0.878 177.742 176.870 -0.009 0.000 1.127 445 L CA -0.371 54.468 54.840 -0.002 0.000 0.914 445 L CB 0.156 42.217 42.059 0.002 0.000 1.193 445 L HN -0.155 nan 8.230 nan 0.000 0.502 446 R N 0.957 121.452 120.500 -0.010 0.000 2.449 446 R HA 0.238 4.578 4.340 -0.000 0.000 0.296 446 R C 1.116 177.410 176.300 -0.009 0.000 1.047 446 R CA 0.758 56.853 56.100 -0.008 0.000 1.018 446 R CB 0.191 30.481 30.300 -0.017 0.000 0.962 446 R HN 0.276 nan 8.270 nan 0.000 0.428 447 G N 2.002 110.798 108.800 -0.006 0.000 2.143 447 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 447 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 447 G C -0.188 174.681 174.900 -0.052 0.000 0.991 447 G CA 0.068 45.165 45.100 -0.006 0.000 0.689 447 G HN 0.418 nan 8.290 nan 0.000 0.522 448 K N -1.268 119.081 120.400 -0.086 0.000 2.340 448 K HA 0.580 4.899 4.320 -0.000 0.000 0.244 448 K C 0.855 177.378 176.600 -0.128 0.000 0.973 448 K CA -1.123 55.089 56.287 -0.125 0.000 0.828 448 K CB 0.784 33.259 32.500 -0.042 0.000 1.226 448 K HN -0.045 nan 8.250 nan 0.000 0.437 449 Y N 0.590 120.861 120.300 -0.048 0.000 2.165 449 Y HA -0.137 4.413 4.550 -0.000 0.000 0.286 449 Y C 2.014 177.864 175.900 -0.082 0.000 1.155 449 Y CA 1.220 59.256 58.100 -0.107 0.000 1.164 449 Y CB -0.658 37.764 38.460 -0.062 0.000 0.978 449 Y HN 0.360 nan 8.280 nan 0.000 0.513 450 L N -0.642 120.658 121.223 0.129 0.000 2.456 450 L HA -0.150 4.190 4.340 -0.000 0.000 0.224 450 L C 2.459 179.343 176.870 0.022 0.000 1.148 450 L CA 0.614 55.494 54.840 0.065 0.000 0.825 450 L CB -0.740 41.358 42.059 0.064 0.000 0.937 450 L HN 0.230 nan 8.230 nan 0.000 0.450 451 A N 0.045 122.867 122.820 0.003 0.000 2.019 451 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 451 A C 2.059 179.629 177.584 -0.025 0.000 1.164 451 A CA 1.043 53.071 52.037 -0.015 0.000 0.644 451 A CB -0.348 18.636 19.000 -0.026 0.000 0.805 451 A HN 0.301 nan 8.150 nan 0.000 0.449 452 L N 0.526 121.734 121.223 -0.025 0.000 2.456 452 L HA -0.083 4.257 4.340 -0.000 0.000 0.224 452 L C 2.418 179.274 176.870 -0.024 0.000 1.148 452 L CA 2.131 56.950 54.840 -0.036 0.000 0.825 452 L CB -1.617 40.417 42.059 -0.041 0.000 0.937 452 L HN 0.707 nan 8.230 nan 0.000 0.450 453 T N -3.992 110.556 114.554 -0.010 0.000 3.081 453 T HA 0.222 4.571 4.350 -0.000 0.000 0.250 453 T C 1.032 175.728 174.700 -0.007 0.000 1.100 453 T CA 0.268 62.366 62.100 -0.003 0.000 1.038 453 T CB 0.051 68.925 68.868 0.010 0.000 0.962 453 T HN 0.179 nan 8.240 nan 0.000 0.516 454 A N 1.936 124.748 122.820 -0.013 0.000 2.990 454 A HA 0.311 4.631 4.320 -0.000 0.000 0.282 454 A C 1.478 179.050 177.584 -0.021 0.000 1.688 454 A CA -0.572 51.456 52.037 -0.014 0.000 1.391 454 A CB -0.414 18.578 19.000 -0.014 0.000 1.112 454 A HN 0.561 nan 8.150 nan 0.000 0.588 455 Q N 0.411 120.200 119.800 -0.017 0.000 2.248 455 Q HA -0.171 4.168 4.340 -0.000 0.000 0.208 455 Q C 0.684 176.672 176.000 -0.020 0.000 0.984 455 Q CA 1.292 57.082 55.803 -0.020 0.000 0.875 455 Q CB 0.120 28.849 28.738 -0.015 0.000 0.910 455 Q HN 0.715 nan 8.270 nan 0.000 0.433 456 E N 0.529 120.720 120.200 -0.015 0.000 2.479 456 E HA 0.030 4.379 4.350 -0.000 0.000 0.193 456 E C 0.398 176.991 176.600 -0.012 0.000 1.049 456 E CA 0.093 56.486 56.400 -0.012 0.000 0.870 456 E CB 0.325 30.021 29.700 -0.007 0.000 0.944 456 E HN 0.239 nan 8.360 nan 0.000 0.492 457 S N -0.222 115.467 115.700 -0.019 0.000 2.617 457 S HA 0.216 4.686 4.470 -0.000 0.000 0.269 457 S C 0.986 175.570 174.600 -0.027 0.000 1.292 457 S CA -0.539 57.650 58.200 -0.020 0.000 1.010 457 S CB 1.256 64.439 63.200 -0.028 0.000 0.944 457 S HN 0.042 nan 8.310 nan 0.000 0.536 458 N N 0.561 119.255 118.700 -0.011 0.000 2.120 458 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 458 N C 1.866 177.328 175.510 -0.080 0.000 1.024 458 N CA 1.283 54.335 53.050 0.004 0.000 0.852 458 N CB -0.258 38.265 38.487 0.061 0.000 1.003 458 N HN 0.577 nan 8.380 nan 0.000 0.424 459 M N 1.286 120.762 119.600 -0.208 0.000 2.086 459 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 459 M C 1.873 177.967 176.300 -0.344 0.000 1.067 459 M CA 1.518 56.465 55.300 -0.589 0.000 1.116 459 M CB -0.401 31.885 32.600 -0.524 0.000 1.348 459 M HN -0.025 nan 8.290 nan 0.000 0.407 460 V N 0.864 120.670 119.914 -0.179 0.000 2.358 460 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 460 V C 2.346 178.390 176.094 -0.084 0.000 1.047 460 V CA 1.775 64.005 62.300 -0.116 0.000 1.035 460 V CB -0.877 30.901 31.823 -0.075 0.000 0.658 460 V HN 0.550 nan 8.190 nan 0.000 0.452 461 Q N -0.873 118.893 119.800 -0.058 0.000 2.170 461 Q HA -0.256 4.084 4.340 -0.000 0.000 0.203 461 Q C 2.190 178.173 176.000 -0.028 0.000 0.976 461 Q CA 1.977 57.759 55.803 -0.035 0.000 0.858 461 Q CB -0.249 28.480 28.738 -0.015 0.000 0.907 461 Q HN 0.809 nan 8.270 nan 0.000 0.433 462 H N 0.537 119.533 119.070 -0.125 0.000 2.326 462 H HA -0.050 4.506 4.556 -0.000 0.000 0.301 462 H C 1.814 177.066 175.328 -0.128 0.000 1.081 462 H CA 1.423 57.408 56.048 -0.105 0.000 1.334 462 H CB -0.020 29.676 29.762 -0.110 0.000 1.385 462 H HN 0.105 nan 8.280 nan 0.000 0.504 463 L N 0.286 121.456 121.223 -0.089 0.000 2.083 463 L HA -0.156 4.183 4.340 -0.000 0.000 0.209 463 L C 2.621 179.405 176.870 -0.143 0.000 1.083 463 L CA 1.587 56.341 54.840 -0.144 0.000 0.752 463 L CB -0.422 41.569 42.059 -0.113 0.000 0.899 463 L HN 0.323 nan 8.230 nan 0.000 0.433 464 K N 0.238 120.573 120.400 -0.108 0.000 2.057 464 K HA -0.275 4.045 4.320 -0.000 0.000 0.207 464 K C 2.208 178.750 176.600 -0.096 0.000 1.049 464 K CA 1.665 57.902 56.287 -0.084 0.000 0.931 464 K CB 0.056 32.518 32.500 -0.063 0.000 0.714 464 K HN 0.099 nan 8.250 nan 0.000 0.440 465 Q N 0.900 120.623 119.800 -0.129 0.000 2.123 465 Q HA -0.040 4.300 4.340 -0.000 0.000 0.199 465 Q C 1.958 177.869 176.000 -0.149 0.000 0.966 465 Q CA 1.304 57.028 55.803 -0.131 0.000 0.845 465 Q CB -0.110 28.537 28.738 -0.152 0.000 0.907 465 Q HN 0.390 nan 8.270 nan 0.000 0.439 466 L N -0.179 120.910 121.223 -0.223 0.000 2.042 466 L HA -0.186 4.153 4.340 -0.000 0.000 0.210 466 L C 2.541 179.348 176.870 -0.105 0.000 1.076 466 L CA 1.475 56.204 54.840 -0.186 0.000 0.749 466 L CB -0.714 41.167 42.059 -0.296 0.000 0.893 466 L HN 0.308 nan 8.230 nan 0.000 0.432 467 S N -0.191 115.450 115.700 -0.099 0.000 2.356 467 S HA -0.185 4.284 4.470 -0.000 0.000 0.223 467 S C 2.131 176.721 174.600 -0.016 0.000 1.032 467 S CA 1.259 59.433 58.200 -0.043 0.000 1.005 467 S CB -0.114 63.068 63.200 -0.031 0.000 0.867 467 S HN 0.435 nan 8.310 nan 0.000 0.449 468 A N 0.365 123.166 122.820 -0.032 0.000 2.019 468 A HA 0.008 4.327 4.320 -0.000 0.000 0.219 468 A C 2.261 179.835 177.584 -0.017 0.000 1.164 468 A CA 1.926 53.950 52.037 -0.021 0.000 0.644 468 A CB -0.737 18.243 19.000 -0.032 0.000 0.805 468 A HN 0.563 nan 8.150 nan 0.000 0.449 469 S N -2.219 113.465 115.700 -0.027 0.000 2.558 469 S HA 0.370 4.840 4.470 -0.000 0.000 0.217 469 S C 1.297 175.884 174.600 -0.023 0.000 0.975 469 S CA 0.811 58.998 58.200 -0.021 0.000 0.912 469 S CB 0.383 63.573 63.200 -0.017 0.000 0.776 469 S HN 1.386 nan 8.310 nan 0.000 0.526 470 G N 0.374 109.163 108.800 -0.018 0.000 2.425 470 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.177 470 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.177 470 G C -0.025 174.849 174.900 -0.043 0.000 0.999 470 G CA -0.498 44.584 45.100 -0.030 0.000 0.723 470 G HN 0.287 nan 8.290 nan 0.000 0.491 471 V N 2.632 122.527 119.914 -0.031 0.000 2.508 471 V HA 0.458 4.577 4.120 -0.000 0.000 0.281 471 V C 1.728 177.774 176.094 -0.080 0.000 1.041 471 V CA 1.297 63.578 62.300 -0.031 0.000 1.016 471 V CB 1.198 32.998 31.823 -0.038 0.000 0.984 471 V HN 0.630 nan 8.190 nan 0.000 0.478 472 T N 0.831 115.309 114.554 -0.126 0.000 2.990 472 T HA 0.200 4.550 4.350 -0.000 0.000 0.249 472 T C 0.429 174.992 174.700 -0.229 0.000 1.039 472 T CA 0.221 62.089 62.100 -0.386 0.000 1.036 472 T CB 0.082 68.562 68.868 -0.647 0.000 0.994 472 T HN 0.627 nan 8.240 nan 0.000 0.489 473 H N -0.039 118.946 119.070 -0.142 0.000 2.717 473 H HA 0.638 5.193 4.556 -0.000 0.000 0.366 473 H C -1.017 174.317 175.328 0.011 0.000 1.132 473 H CA -1.225 54.796 56.048 -0.045 0.000 1.180 473 H CB 1.321 31.070 29.762 -0.022 0.000 1.678 473 H HN 0.085 nan 8.280 nan 0.000 0.537 474 I N 1.971 122.615 120.570 0.123 0.000 2.339 474 I HA 0.180 4.350 4.170 -0.000 0.000 0.290 474 I C 0.178 176.356 176.117 0.102 0.000 0.994 474 I CA -0.376 60.985 61.300 0.101 0.000 1.191 474 I CB 1.234 39.261 38.000 0.045 0.000 1.343 474 I HN 0.665 nan 8.210 nan 0.000 0.458 475 E N 7.170 127.430 120.200 0.100 0.000 2.156 475 E HA 0.491 4.841 4.350 -0.000 0.000 0.279 475 E C -1.375 175.250 176.600 0.043 0.000 0.965 475 E CA -0.602 55.867 56.400 0.115 0.000 0.789 475 E CB 1.266 31.095 29.700 0.214 0.000 1.098 475 E HN 0.482 nan 8.360 nan 0.000 0.397 476 L N 5.239 126.462 121.223 -0.000 0.000 2.282 476 L HA 0.303 4.643 4.340 -0.000 0.000 0.288 476 L C -0.155 176.658 176.870 -0.094 0.000 1.033 476 L CA -0.930 53.869 54.840 -0.068 0.000 0.807 476 L CB 0.849 42.842 42.059 -0.110 0.000 1.209 476 L HN 0.534 nan 8.230 nan 0.000 0.423 477 L N 5.583 126.725 121.223 -0.133 0.000 2.479 477 L HA 0.161 4.501 4.340 -0.000 0.000 0.270 477 L C -1.831 174.869 176.870 -0.283 0.000 1.236 477 L CA -0.822 53.892 54.840 -0.210 0.000 0.823 477 L CB -0.350 41.605 42.059 -0.174 0.000 1.098 477 L HN 0.383 nan 8.230 nan 0.000 0.500 478 P HA -0.166 nan 4.420 nan 0.000 0.240 478 P C 0.069 177.044 177.300 -0.542 0.000 1.079 478 P CA 0.796 63.491 63.100 -0.675 0.000 0.839 478 P CB -0.148 31.019 31.700 -0.888 0.000 0.750 479 V N 1.267 120.934 119.914 -0.412 0.000 3.380 479 V HA 0.258 4.378 4.120 -0.000 0.000 0.307 479 V C 0.445 176.524 176.094 -0.026 0.000 1.434 479 V CA -0.239 62.049 62.300 -0.020 0.000 1.075 479 V CB -1.243 30.722 31.823 0.236 0.000 0.954 479 V HN 0.178 nan 8.190 nan 0.000 0.444 480 F N -0.121 119.811 119.950 -0.031 0.000 2.348 480 F HA 0.723 5.250 4.527 -0.000 0.000 0.308 480 F C 0.393 176.251 175.800 0.096 0.000 1.175 480 F CA -1.504 56.521 58.000 0.042 0.000 1.080 480 F CB -0.246 38.755 39.000 0.002 0.000 1.341 480 F HN -0.041 nan 8.300 nan 0.000 0.518 481 D N 1.547 122.176 120.400 0.383 0.000 2.346 481 D HA 0.241 4.880 4.640 -0.000 0.000 0.267 481 D C -0.542 175.913 176.300 0.259 0.000 1.320 481 D CA -0.044 54.092 54.000 0.227 0.000 0.951 481 D CB -0.185 40.748 40.800 0.222 0.000 1.079 481 D HN 0.625 nan 8.370 nan 0.000 0.509 482 L N 1.233 122.484 121.223 0.046 0.000 2.416 482 L HA 0.760 5.099 4.340 -0.000 0.000 0.262 482 L C 0.965 177.927 176.870 0.153 0.000 1.093 482 L CA -0.575 54.304 54.840 0.065 0.000 0.801 482 L CB 1.193 43.178 42.059 -0.122 0.000 1.191 482 L HN 0.175 nan 8.230 nan 0.000 0.459 483 A N -0.420 122.467 122.820 0.111 0.000 2.167 483 A HA 0.107 4.427 4.320 -0.000 0.000 0.208 483 A C 1.629 179.218 177.584 0.008 0.000 1.198 483 A CA 0.625 52.696 52.037 0.057 0.000 0.863 483 A CB -0.637 18.215 19.000 -0.247 0.000 0.904 483 A HN 0.899 nan 8.150 nan 0.000 0.484 484 T N -1.707 112.855 114.554 0.014 0.000 3.361 484 T HA 0.355 4.704 4.350 -0.000 0.000 0.251 484 T C 0.006 174.707 174.700 0.002 0.000 1.131 484 T CA 0.116 62.226 62.100 0.017 0.000 1.001 484 T CB -0.509 68.396 68.868 0.062 0.000 1.003 484 T HN 0.000 nan 8.240 nan 0.000 0.558 485 V N 2.121 122.022 119.914 -0.021 0.000 2.569 485 V HA 0.373 4.493 4.120 -0.000 0.000 0.301 485 V C -0.493 175.582 176.094 -0.032 0.000 1.044 485 V CA -1.376 60.897 62.300 -0.045 0.000 0.874 485 V CB 1.809 33.560 31.823 -0.120 0.000 1.002 485 V HN 0.362 nan 8.190 nan 0.000 0.424 486 N N 3.350 122.047 118.700 -0.005 0.000 2.475 486 N HA 0.120 4.860 4.740 -0.000 0.000 0.267 486 N C 0.882 176.383 175.510 -0.016 0.000 1.169 486 N CA 0.178 53.247 53.050 0.031 0.000 0.947 486 N CB 1.364 39.895 38.487 0.073 0.000 1.061 486 N HN 0.727 nan 8.380 nan 0.000 0.466 487 E N 2.413 122.568 120.200 -0.075 0.000 2.481 487 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 487 E C -0.315 176.145 176.600 -0.233 0.000 1.047 487 E CA 0.279 56.566 56.400 -0.189 0.000 0.867 487 E CB 0.131 29.670 29.700 -0.267 0.000 0.858 487 E HN 0.507 nan 8.360 nan 0.000 0.513 488 F N 1.237 121.170 119.950 -0.030 0.000 2.405 488 F HA 0.077 4.604 4.527 -0.000 0.000 0.358 488 F C 1.509 177.291 175.800 -0.030 0.000 1.151 488 F CA -0.331 57.652 58.000 -0.028 0.000 1.161 488 F CB 1.083 40.068 39.000 -0.024 0.000 1.245 488 F HN -0.130 nan 8.300 nan 0.000 0.545 489 S N 1.220 116.983 115.700 0.105 0.000 2.392 489 S HA -0.269 4.200 4.470 -0.000 0.000 0.232 489 S C 1.778 176.411 174.600 0.054 0.000 1.041 489 S CA 1.829 60.061 58.200 0.052 0.000 1.026 489 S CB -0.287 62.928 63.200 0.025 0.000 0.845 489 S HN 0.813 nan 8.310 nan 0.000 0.465 490 D N 0.585 121.031 120.400 0.077 0.000 2.371 490 D HA -0.071 4.568 4.640 -0.000 0.000 0.221 490 D C 1.210 177.524 176.300 0.023 0.000 0.986 490 D CA 0.659 54.681 54.000 0.037 0.000 0.899 490 D CB -0.129 40.687 40.800 0.025 0.000 0.902 490 D HN 0.187 nan 8.370 nan 0.000 0.530 491 K N 0.165 120.593 120.400 0.047 0.000 2.358 491 K HA 0.217 4.537 4.320 -0.000 0.000 0.197 491 K C -0.054 176.554 176.600 0.014 0.000 1.025 491 K CA -0.116 56.187 56.287 0.027 0.000 1.104 491 K CB 1.555 34.087 32.500 0.053 0.000 0.855 491 K HN 0.120 nan 8.250 nan 0.000 0.531 492 V N 0.741 120.661 119.914 0.010 0.000 2.715 492 V HA 0.692 4.812 4.120 -0.000 0.000 0.310 492 V C -0.641 175.435 176.094 -0.031 0.000 1.054 492 V CA -1.199 61.095 62.300 -0.010 0.000 0.928 492 V CB 1.861 33.681 31.823 -0.006 0.000 1.007 492 V HN 0.130 nan 8.190 nan 0.000 0.437 493 A N 2.351 125.140 122.820 -0.051 0.000 2.408 493 A HA 0.735 5.055 4.320 -0.000 0.000 0.295 493 A C -1.149 176.383 177.584 -0.087 0.000 1.040 493 A CA -0.626 51.365 52.037 -0.077 0.000 0.707 493 A CB 1.147 20.081 19.000 -0.109 0.000 1.235 493 A HN 0.748 nan 8.150 nan 0.000 0.418 494 D N 1.526 121.874 120.400 -0.086 0.000 2.340 494 D HA 0.351 4.991 4.640 -0.000 0.000 0.243 494 D C 1.681 177.908 176.300 -0.123 0.000 0.988 494 D CA -0.324 53.622 54.000 -0.091 0.000 0.959 494 D CB 1.635 42.390 40.800 -0.074 0.000 1.226 494 D HN 0.566 nan 8.370 nan 0.000 0.509 495 I N -1.378 119.114 120.570 -0.131 0.000 2.700 495 I HA -0.255 3.915 4.170 -0.000 0.000 0.261 495 I C 1.171 177.209 176.117 -0.132 0.000 1.219 495 I CA 1.235 62.454 61.300 -0.135 0.000 1.463 495 I CB -0.186 37.758 38.000 -0.093 0.000 1.092 495 I HN 0.094 nan 8.210 nan 0.000 0.452 496 Q N 1.148 120.852 119.800 -0.159 0.000 2.435 496 Q HA 0.120 4.460 4.340 -0.000 0.000 0.207 496 Q C 0.340 176.290 176.000 -0.084 0.000 0.956 496 Q CA 0.649 56.367 55.803 -0.140 0.000 0.917 496 Q CB -0.035 28.599 28.738 -0.174 0.000 0.997 496 Q HN 0.696 nan 8.270 nan 0.000 0.497 497 Q N 0.137 119.889 119.800 -0.079 0.000 2.180 497 Q HA 0.361 4.701 4.340 -0.000 0.000 0.241 497 Q C -2.373 173.606 176.000 -0.034 0.000 0.970 497 Q CA -2.460 53.311 55.803 -0.053 0.000 0.919 497 Q CB 0.486 29.189 28.738 -0.059 0.000 1.222 497 Q HN -0.075 nan 8.270 nan 0.000 0.482 498 P HA -0.108 nan 4.420 nan 0.000 0.266 498 P C -0.479 176.852 177.300 0.052 0.000 1.193 498 P CA 0.393 63.518 63.100 0.042 0.000 0.770 498 P CB 0.329 32.054 31.700 0.042 0.000 0.836 499 F N 2.334 122.273 119.950 -0.017 0.000 2.269 499 F HA -0.220 4.307 4.527 -0.000 0.000 0.301 499 F C 2.234 178.037 175.800 0.005 0.000 1.082 499 F CA 1.984 59.974 58.000 -0.016 0.000 1.360 499 F CB -0.179 38.828 39.000 0.011 0.000 1.041 499 F HN 0.289 nan 8.300 nan 0.000 0.512 500 S N -0.011 115.820 115.700 0.218 0.000 2.399 500 S HA -0.269 4.201 4.470 -0.000 0.000 0.231 500 S C 2.196 176.826 174.600 0.050 0.000 1.022 500 S CA 1.164 59.448 58.200 0.140 0.000 0.983 500 S CB -0.712 62.548 63.200 0.099 0.000 0.803 500 S HN 0.524 nan 8.310 nan 0.000 0.480 501 R N 0.438 120.941 120.500 0.005 0.000 2.090 501 R HA 0.036 4.376 4.340 -0.000 0.000 0.228 501 R C 2.361 178.615 176.300 -0.077 0.000 1.110 501 R CA 1.202 57.283 56.100 -0.031 0.000 0.973 501 R CB -0.448 29.828 30.300 -0.039 0.000 0.869 501 R HN 0.469 nan 8.270 nan 0.000 0.440 502 L N 0.762 121.888 121.223 -0.160 0.000 2.046 502 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 502 L C 2.069 178.842 176.870 -0.162 0.000 1.077 502 L CA 1.730 56.421 54.840 -0.249 0.000 0.747 502 L CB -0.654 41.074 42.059 -0.552 0.000 0.896 502 L HN 0.246 nan 8.230 nan 0.000 0.432 503 c N 0.400 118.949 118.600 -0.085 0.000 2.435 503 c HA -0.111 4.459 4.570 -0.000 0.000 0.279 503 c C 2.659 176.753 174.090 0.007 0.000 1.321 503 c CA 0.810 57.148 56.329 0.015 0.000 1.752 503 c CB -1.168 41.416 42.510 0.124 0.000 1.959 503 c HN 0.754 nan 8.230 nan 0.000 0.500 504 E N 1.749 121.947 120.200 -0.003 0.000 2.150 504 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 504 E C 1.740 178.330 176.600 -0.017 0.000 0.985 504 E CA 1.956 58.354 56.400 -0.004 0.000 0.814 504 E CB -0.220 29.478 29.700 -0.003 0.000 0.752 504 E HN 0.566 nan 8.360 nan 0.000 0.466 505 V N -1.884 118.011 119.914 -0.032 0.000 3.660 505 V HA 0.215 4.335 4.120 -0.000 0.000 0.276 505 V C 0.483 176.556 176.094 -0.036 0.000 1.317 505 V CA -0.104 62.176 62.300 -0.033 0.000 1.097 505 V CB -0.010 31.791 31.823 -0.037 0.000 0.863 505 V HN 0.147 nan 8.190 nan 0.000 0.438 506 N N 1.314 119.990 118.700 -0.041 0.000 2.573 506 N HA 0.238 4.978 4.740 -0.000 0.000 0.262 506 N C 1.014 176.516 175.510 -0.013 0.000 1.029 506 N CA 0.715 53.743 53.050 -0.037 0.000 0.882 506 N CB 2.142 40.590 38.487 -0.066 0.000 1.204 506 N HN 0.403 nan 8.380 nan 0.000 0.519 507 S N 2.181 117.878 115.700 -0.005 0.000 2.423 507 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 507 S C 1.875 176.488 174.600 0.020 0.000 1.014 507 S CA 0.893 59.098 58.200 0.008 0.000 0.965 507 S CB -0.093 63.108 63.200 0.002 0.000 0.785 507 S HN 0.494 nan 8.310 nan 0.000 0.495 508 A N 1.428 124.257 122.820 0.016 0.000 1.972 508 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 508 A C 2.349 179.970 177.584 0.063 0.000 1.169 508 A CA 1.530 53.585 52.037 0.030 0.000 0.635 508 A CB -0.942 18.070 19.000 0.019 0.000 0.810 508 A HN 0.451 nan 8.150 nan 0.000 0.446 509 V N -0.133 119.817 119.914 0.060 0.000 2.323 509 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 509 V C 2.439 178.630 176.094 0.162 0.000 1.041 509 V CA 2.191 64.563 62.300 0.121 0.000 1.025 509 V CB -0.567 31.282 31.823 0.043 0.000 0.656 509 V HN 0.615 nan 8.190 nan 0.000 0.451 510 K N 0.693 121.158 120.400 0.109 0.000 2.280 510 K HA -0.137 4.183 4.320 -0.000 0.000 0.202 510 K C 1.830 178.479 176.600 0.081 0.000 1.047 510 K CA 1.555 57.904 56.287 0.104 0.000 0.942 510 K CB -0.081 32.459 32.500 0.066 0.000 0.739 510 K HN 0.638 nan 8.250 nan 0.000 0.457 511 S N -0.784 114.957 115.700 0.068 0.000 2.568 511 S HA 0.070 4.540 4.470 -0.000 0.000 0.232 511 S C 0.450 175.078 174.600 0.047 0.000 0.975 511 S CA -0.409 57.817 58.200 0.044 0.000 0.949 511 S CB 0.284 63.500 63.200 0.027 0.000 0.829 511 S HN 0.225 nan 8.310 nan 0.000 0.479 512 S N 1.639 117.391 115.700 0.086 0.000 2.719 512 S HA 0.324 4.794 4.470 -0.000 0.000 0.285 512 S C 1.018 175.625 174.600 0.011 0.000 1.137 512 S CA -0.255 57.994 58.200 0.082 0.000 1.012 512 S CB 0.727 64.054 63.200 0.211 0.000 1.134 512 S HN 0.480 nan 8.310 nan 0.000 0.544 513 E N -0.292 119.825 120.200 -0.137 0.000 2.418 513 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 513 E C 0.429 176.818 176.600 -0.352 0.000 1.026 513 E CA 0.754 56.970 56.400 -0.306 0.000 0.862 513 E CB -0.590 28.822 29.700 -0.481 0.000 0.799 513 E HN 0.713 nan 8.360 nan 0.000 0.518 514 F N 0.629 120.653 119.950 0.123 0.000 2.693 514 F HA 0.404 4.931 4.527 -0.000 0.000 0.303 514 F C 2.201 178.121 175.800 0.200 0.000 1.097 514 F CA 0.015 58.145 58.000 0.216 0.000 1.330 514 F CB 0.384 39.554 39.000 0.283 0.000 1.067 514 F HN 0.082 nan 8.300 nan 0.000 0.565 515 A N 0.647 123.602 122.820 0.226 0.000 1.978 515 A HA -0.138 4.181 4.320 -0.000 0.000 0.220 515 A C 2.554 180.183 177.584 0.074 0.000 1.170 515 A CA 1.787 53.924 52.037 0.167 0.000 0.636 515 A CB -1.355 17.697 19.000 0.086 0.000 0.810 515 A HN 0.433 nan 8.150 nan 0.000 0.448 516 G N -2.247 106.535 108.800 -0.031 0.000 2.498 516 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 516 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 516 G C 1.237 175.975 174.900 -0.270 0.000 1.119 516 G CA 0.983 45.981 45.100 -0.169 0.000 0.766 516 G HN 0.638 nan 8.290 nan 0.000 0.552 517 Y N -0.428 119.713 120.300 -0.265 0.000 2.544 517 Y HA 0.048 4.598 4.550 -0.000 0.000 0.286 517 Y C 2.763 178.444 175.900 -0.365 0.000 1.141 517 Y CA -0.292 57.475 58.100 -0.554 0.000 1.299 517 Y CB -0.102 37.535 38.460 -1.372 0.000 1.030 517 Y HN 0.186 nan 8.280 nan 0.000 0.543 518 c N -0.184 118.467 118.600 0.086 0.000 2.401 518 c HA -0.223 4.347 4.570 -0.000 0.000 0.276 518 c C 1.982 176.162 174.090 0.150 0.000 1.233 518 c CA 1.609 58.091 56.329 0.255 0.000 1.753 518 c CB -0.555 42.075 42.510 0.201 0.000 2.029 518 c HN 0.473 nan 8.230 nan 0.000 0.478 519 D N 0.416 120.852 120.400 0.060 0.000 2.427 519 D HA 0.102 4.742 4.640 -0.000 0.000 0.224 519 D C 0.840 177.152 176.300 0.020 0.000 1.157 519 D CA 0.066 54.089 54.000 0.039 0.000 0.828 519 D CB 0.040 40.849 40.800 0.015 0.000 0.974 519 D HN 0.592 nan 8.370 nan 0.000 0.498 520 S N -2.187 113.525 115.700 0.021 0.000 2.661 520 S HA 0.500 4.970 4.470 -0.000 0.000 0.265 520 S C 1.273 175.903 174.600 0.050 0.000 1.225 520 S CA -0.089 58.119 58.200 0.013 0.000 0.986 520 S CB 1.596 64.801 63.200 0.010 0.000 1.008 520 S HN 0.033 nan 8.310 nan 0.000 0.565 521 G N -0.077 108.750 108.800 0.045 0.000 3.502 521 G HA2 0.394 4.354 3.960 -0.000 0.000 0.267 521 G HA3 0.394 4.354 3.960 -0.000 0.000 0.267 521 G C -0.089 174.849 174.900 0.062 0.000 1.090 521 G CA -0.443 44.687 45.100 0.050 0.000 0.795 521 G HN 0.586 nan 8.290 nan 0.000 0.535 522 S N 0.349 116.099 115.700 0.084 0.000 2.646 522 S HA 0.576 5.046 4.470 -0.000 0.000 0.276 522 S C 0.632 175.304 174.600 0.121 0.000 1.222 522 S CA -0.450 57.802 58.200 0.087 0.000 1.014 522 S CB 1.485 64.734 63.200 0.082 0.000 0.991 522 S HN 0.453 nan 8.310 nan 0.000 0.533 523 T N -1.307 113.299 114.554 0.086 0.000 2.902 523 T HA 0.382 4.731 4.350 -0.000 0.000 0.280 523 T C 1.364 176.120 174.700 0.094 0.000 0.992 523 T CA -0.861 61.282 62.100 0.073 0.000 1.015 523 T CB 0.563 69.445 68.868 0.022 0.000 1.044 523 T HN 0.167 nan 8.240 nan 0.000 0.520 524 V N 0.899 120.834 119.914 0.036 0.000 2.343 524 V HA -0.139 3.980 4.120 -0.000 0.000 0.247 524 V C 2.823 178.876 176.094 -0.068 0.000 1.051 524 V CA 2.290 64.582 62.300 -0.013 0.000 1.036 524 V CB -1.027 30.671 31.823 -0.208 0.000 0.654 524 V HN 1.081 nan 8.190 nan 0.000 0.451 525 E N 0.137 120.316 120.200 -0.035 0.000 2.153 525 E HA -0.252 4.097 4.350 -0.000 0.000 0.194 525 E C 2.099 178.732 176.600 0.056 0.000 0.988 525 E CA 1.381 57.810 56.400 0.048 0.000 0.811 525 E CB -0.029 29.747 29.700 0.128 0.000 0.746 525 E HN 0.733 nan 8.360 nan 0.000 0.466 526 E N -0.138 120.080 120.200 0.030 0.000 2.150 526 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 526 E C 2.162 178.741 176.600 -0.035 0.000 0.985 526 E CA 1.041 57.459 56.400 0.030 0.000 0.814 526 E CB 0.236 29.958 29.700 0.036 0.000 0.752 526 E HN 0.156 nan 8.360 nan 0.000 0.466 527 V N 1.430 121.279 119.914 -0.109 0.000 2.323 527 V HA -0.220 3.900 4.120 -0.000 0.000 0.244 527 V C 2.293 178.208 176.094 -0.299 0.000 1.041 527 V CA 1.279 63.416 62.300 -0.271 0.000 1.025 527 V CB -0.384 31.151 31.823 -0.479 0.000 0.656 527 V HN 0.239 nan 8.190 nan 0.000 0.451 528 L N -0.188 120.812 121.223 -0.372 0.000 2.042 528 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 528 L C 2.645 179.269 176.870 -0.411 0.000 1.076 528 L CA 2.056 56.526 54.840 -0.618 0.000 0.749 528 L CB -1.019 40.321 42.059 -1.199 0.000 0.893 528 L HN 0.352 nan 8.230 nan 0.000 0.432 529 T N -1.330 113.148 114.554 -0.126 0.000 2.746 529 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 529 T C 1.913 176.639 174.700 0.044 0.000 1.039 529 T CA 1.079 63.254 62.100 0.126 0.000 1.142 529 T CB -0.121 68.864 68.868 0.195 0.000 0.866 529 T HN 0.268 nan 8.240 nan 0.000 0.444 530 Q N 0.564 120.361 119.800 -0.005 0.000 2.224 530 Q HA 0.140 4.480 4.340 -0.000 0.000 0.203 530 Q C 2.272 178.274 176.000 0.004 0.000 0.970 530 Q CA 0.767 56.577 55.803 0.010 0.000 0.865 530 Q CB -0.449 28.302 28.738 0.021 0.000 0.922 530 Q HN 0.512 nan 8.270 nan 0.000 0.445 531 L N 0.126 121.323 121.223 -0.043 0.000 2.478 531 L HA -0.097 4.242 4.340 -0.000 0.000 0.223 531 L C 2.090 178.955 176.870 -0.007 0.000 1.140 531 L CA 0.533 55.358 54.840 -0.026 0.000 0.842 531 L CB -0.148 41.862 42.059 -0.081 0.000 0.953 531 L HN 0.113 nan 8.230 nan 0.000 0.452 532 K N 0.090 120.494 120.400 0.006 0.000 2.032 532 K HA -0.269 4.051 4.320 -0.000 0.000 0.209 532 K C 2.111 178.731 176.600 0.033 0.000 1.048 532 K CA 1.552 57.864 56.287 0.040 0.000 0.927 532 K CB -0.145 32.409 32.500 0.089 0.000 0.712 532 K HN 0.272 nan 8.250 nan 0.000 0.441 533 Q N 1.015 120.833 119.800 0.031 0.000 2.135 533 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 533 Q C 1.446 177.458 176.000 0.021 0.000 0.981 533 Q CA 1.520 57.338 55.803 0.025 0.000 0.856 533 Q CB -0.011 28.742 28.738 0.025 0.000 0.902 533 Q HN 0.312 nan 8.270 nan 0.000 0.425 534 N N 0.316 119.030 118.700 0.022 0.000 2.270 534 N HA -0.050 4.690 4.740 -0.000 0.000 0.198 534 N C -0.644 174.876 175.510 0.017 0.000 1.117 534 N CA -0.251 52.811 53.050 0.020 0.000 0.845 534 N CB 0.352 38.854 38.487 0.026 0.000 0.980 534 N HN 0.227 nan 8.380 nan 0.000 0.486 535 D N 0.910 121.319 120.400 0.014 0.000 2.304 535 D HA 0.105 4.745 4.640 -0.000 0.000 0.250 535 D C -0.634 175.654 176.300 -0.019 0.000 1.107 535 D CA 0.360 54.363 54.000 0.006 0.000 0.885 535 D CB 1.340 42.148 40.800 0.014 0.000 1.192 535 D HN 0.313 nan 8.370 nan 0.000 0.436 536 S N 1.434 117.106 115.700 -0.047 0.000 2.683 536 S HA 0.169 4.639 4.470 -0.000 0.000 0.269 536 S C 0.782 175.289 174.600 -0.156 0.000 1.165 536 S CA -0.662 57.486 58.200 -0.087 0.000 0.840 536 S CB 1.073 64.247 63.200 -0.043 0.000 1.169 536 S HN 0.512 nan 8.310 nan 0.000 0.490 537 K N 0.024 120.313 120.400 -0.185 0.000 2.209 537 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 537 K C 0.402 177.007 176.600 0.009 0.000 1.048 537 K CA 1.784 57.949 56.287 -0.203 0.000 0.940 537 K CB -0.516 31.942 32.500 -0.069 0.000 0.729 537 K HN 0.521 nan 8.250 nan 0.000 0.451 538 D N 0.454 120.858 120.400 0.006 0.000 2.349 538 D HA -0.028 4.612 4.640 -0.000 0.000 0.215 538 D C -0.160 176.161 176.300 0.035 0.000 1.016 538 D CA 0.560 54.581 54.000 0.036 0.000 0.870 538 D CB 0.125 40.938 40.800 0.022 0.000 0.917 538 D HN 0.242 nan 8.370 nan 0.000 0.524 539 N N 0.385 119.097 118.700 0.021 0.000 2.785 539 N HA 0.066 4.806 4.740 -0.000 0.000 0.224 539 N C -2.799 172.730 175.510 0.031 0.000 1.448 539 N CA -1.036 52.034 53.050 0.033 0.000 0.748 539 N CB 1.174 39.675 38.487 0.024 0.000 1.385 539 N HN -0.244 nan 8.380 nan 0.000 0.538 540 P HA 0.059 nan 4.420 nan 0.000 0.226 540 P C 0.265 177.625 177.300 0.101 0.000 1.783 540 P CA -0.000 63.131 63.100 0.053 0.000 0.980 540 P CB -0.134 31.641 31.700 0.125 0.000 1.967 541 Q N -0.850 119.008 119.800 0.096 0.000 2.230 541 Q HA -0.050 4.289 4.340 -0.000 0.000 0.202 541 Q C 1.377 177.426 176.000 0.082 0.000 0.963 541 Q CA 0.932 56.828 55.803 0.156 0.000 0.866 541 Q CB -0.850 27.989 28.738 0.169 0.000 0.931 541 Q HN 0.072 nan 8.270 nan 0.000 0.452 542 V N 2.226 122.147 119.914 0.011 0.000 2.261 542 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 542 V C 2.550 178.612 176.094 -0.054 0.000 1.047 542 V CA 2.355 64.588 62.300 -0.112 0.000 1.015 542 V CB -0.794 30.976 31.823 -0.087 0.000 0.642 542 V HN 0.579 nan 8.190 nan 0.000 0.446 543 Q N 1.410 121.285 119.800 0.124 0.000 2.224 543 Q HA -0.018 4.321 4.340 -0.000 0.000 0.203 543 Q C 1.938 177.976 176.000 0.063 0.000 0.970 543 Q CA 1.976 57.871 55.803 0.152 0.000 0.865 543 Q CB -0.826 27.992 28.738 0.132 0.000 0.922 543 Q HN 0.471 nan 8.270 nan 0.000 0.445 544 A N 1.042 123.916 122.820 0.089 0.000 1.883 544 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 544 A C 2.075 179.696 177.584 0.061 0.000 1.186 544 A CA 1.603 53.729 52.037 0.148 0.000 0.624 544 A CB -0.771 18.406 19.000 0.296 0.000 0.822 544 A HN 0.447 nan 8.150 nan 0.000 0.444 545 L N 0.104 121.192 121.223 -0.224 0.000 2.072 545 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 545 L C 1.862 178.529 176.870 -0.339 0.000 1.079 545 L CA 2.468 56.923 54.840 -0.643 0.000 0.752 545 L CB -0.906 40.467 42.059 -1.145 0.000 0.906 545 L HN 0.412 nan 8.230 nan 0.000 0.436 546 N N -1.054 117.503 118.700 -0.238 0.000 2.223 546 N HA -0.180 4.560 4.740 -0.000 0.000 0.185 546 N C 1.635 177.095 175.510 -0.083 0.000 1.016 546 N CA 1.739 54.703 53.050 -0.144 0.000 0.863 546 N CB -0.179 38.308 38.487 0.000 0.000 0.983 546 N HN 0.411 nan 8.380 nan 0.000 0.429 547 T N 0.414 114.936 114.554 -0.055 0.000 2.833 547 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 547 T C 1.734 176.402 174.700 -0.053 0.000 1.054 547 T CA 0.850 62.922 62.100 -0.046 0.000 1.135 547 T CB -0.106 68.752 68.868 -0.016 0.000 0.869 547 T HN 0.204 nan 8.240 nan 0.000 0.466 548 L N 0.260 121.446 121.223 -0.061 0.000 2.095 548 L HA 0.010 4.350 4.340 -0.000 0.000 0.204 548 L C 2.632 179.445 176.870 -0.095 0.000 1.080 548 L CA 0.609 55.415 54.840 -0.056 0.000 0.759 548 L CB -0.642 41.399 42.059 -0.031 0.000 0.914 548 L HN 0.104 nan 8.230 nan 0.000 0.439 549 V N 0.652 120.481 119.914 -0.142 0.000 2.392 549 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 549 V C 2.802 178.836 176.094 -0.099 0.000 1.059 549 V CA 1.817 64.023 62.300 -0.156 0.000 1.051 549 V CB -0.927 30.781 31.823 -0.192 0.000 0.658 549 V HN 0.490 nan 8.190 nan 0.000 0.455 550 A N -0.734 122.036 122.820 -0.082 0.000 2.024 550 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 550 A C 2.147 179.701 177.584 -0.050 0.000 1.164 550 A CA 1.904 53.902 52.037 -0.065 0.000 0.643 550 A CB -0.442 18.500 19.000 -0.096 0.000 0.806 550 A HN 0.678 nan 8.150 nan 0.000 0.451 551 Q N -0.867 118.902 119.800 -0.052 0.000 2.167 551 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 551 Q C 1.223 177.206 176.000 -0.029 0.000 0.970 551 Q CA 1.591 57.372 55.803 -0.037 0.000 0.855 551 Q CB -0.103 28.614 28.738 -0.034 0.000 0.911 551 Q HN 0.804 nan 8.270 nan 0.000 0.438 552 T N -1.864 112.666 114.554 -0.040 0.000 3.288 552 T HA 0.104 4.454 4.350 -0.000 0.000 0.293 552 T C -0.373 174.307 174.700 -0.033 0.000 1.008 552 T CA -0.395 61.684 62.100 -0.035 0.000 0.929 552 T CB 0.080 68.920 68.868 -0.047 0.000 1.152 552 T HN 0.139 nan 8.240 nan 0.000 0.517 553 D N 0.817 121.204 120.400 -0.021 0.000 2.539 553 D HA 0.371 5.011 4.640 -0.000 0.000 0.276 553 D C 0.594 176.908 176.300 0.025 0.000 1.206 553 D CA -1.066 52.932 54.000 -0.003 0.000 1.081 553 D CB 0.464 41.271 40.800 0.011 0.000 1.142 553 D HN -0.045 nan 8.370 nan 0.000 0.595 554 S N -1.937 113.792 115.700 0.049 0.000 2.605 554 S HA 0.054 4.524 4.470 -0.000 0.000 0.217 554 S C -0.450 174.207 174.600 0.095 0.000 0.958 554 S CA -0.327 57.897 58.200 0.040 0.000 0.919 554 S CB -0.738 62.480 63.200 0.029 0.000 0.780 554 S HN 0.422 nan 8.310 nan 0.000 0.507 555 Y N 2.895 123.218 120.300 0.037 0.000 2.330 555 Y HA 0.613 5.163 4.550 -0.000 0.000 0.336 555 Y C -0.077 175.853 175.900 0.050 0.000 1.036 555 Y CA -0.879 57.273 58.100 0.086 0.000 1.125 555 Y CB 0.613 39.112 38.460 0.064 0.000 1.194 555 Y HN 0.045 nan 8.280 nan 0.000 0.469 556 N N 4.117 122.662 118.700 -0.258 0.000 2.928 556 N HA -0.035 4.705 4.740 -0.000 0.000 0.247 556 N C -0.253 175.285 175.510 0.048 0.000 1.141 556 N CA -0.431 52.602 53.050 -0.027 0.000 0.977 556 N CB 0.492 39.019 38.487 0.068 0.000 1.663 556 N HN 0.702 nan 8.380 nan 0.000 0.509 557 W N 2.079 123.424 121.300 0.075 0.000 2.342 557 W HA 0.084 4.744 4.660 -0.000 0.000 0.297 557 W C 1.632 178.095 176.519 -0.093 0.000 1.213 557 W CA 2.208 59.599 57.345 0.076 0.000 1.251 557 W CB -0.713 28.921 29.460 0.291 0.000 1.136 557 W HN 0.906 nan 8.180 nan 0.000 0.526 558 G N -1.766 107.145 108.800 0.185 0.000 2.130 558 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.216 558 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.216 558 G C -0.136 174.727 174.900 -0.061 0.000 0.999 558 G CA -0.149 44.930 45.100 -0.034 0.000 0.686 558 G HN 0.264 nan 8.290 nan 0.000 0.515 559 Y N 1.785 122.261 120.300 0.294 0.000 3.007 559 Y HA 0.324 4.874 4.550 -0.000 0.000 0.390 559 Y C 0.457 176.572 175.900 0.359 0.000 1.065 559 Y CA -0.210 58.096 58.100 0.345 0.000 1.845 559 Y CB 0.250 38.931 38.460 0.368 0.000 1.828 559 Y HN 0.180 nan 8.280 nan 0.000 0.458 560 D N 0.571 121.183 120.400 0.353 0.000 2.468 560 D HA 0.185 4.825 4.640 -0.000 0.000 0.272 560 D C -2.890 173.536 176.300 0.210 0.000 1.221 560 D CA -1.489 52.676 54.000 0.274 0.000 0.860 560 D CB 1.473 42.383 40.800 0.183 0.000 1.190 560 D HN 0.073 nan 8.370 nan 0.000 0.509 561 P HA 0.064 nan 4.420 nan 0.000 0.262 561 P C 0.011 177.268 177.300 -0.072 0.000 1.199 561 P CA 0.137 63.252 63.100 0.024 0.000 0.763 561 P CB 0.499 32.002 31.700 -0.329 0.000 0.790 562 F N 2.294 122.146 119.950 -0.163 0.000 2.480 562 F HA 0.134 4.661 4.527 -0.000 0.000 0.280 562 F C 0.773 176.239 175.800 -0.557 0.000 1.002 562 F CA 0.176 58.015 58.000 -0.268 0.000 1.325 562 F CB 0.650 39.605 39.000 -0.076 0.000 1.134 562 F HN 0.264 nan 8.300 nan 0.000 0.646 563 H N -0.655 118.442 119.070 0.044 0.000 2.782 563 H HA 0.160 4.716 4.556 -0.000 0.000 0.347 563 H C -0.514 174.829 175.328 0.026 0.000 1.038 563 H CA -0.593 55.427 56.048 -0.047 0.000 1.255 563 H CB 1.349 31.075 29.762 -0.061 0.000 1.623 563 H HN 0.214 nan 8.280 nan 0.000 0.525 564 Y N 1.092 121.519 120.300 0.211 0.000 2.457 564 Y HA -0.075 4.475 4.550 -0.000 0.000 0.292 564 Y C 1.256 177.390 175.900 0.391 0.000 1.125 564 Y CA 0.760 58.951 58.100 0.152 0.000 1.254 564 Y CB 0.722 39.272 38.460 0.150 0.000 1.012 564 Y HN 0.369 nan 8.280 nan 0.000 0.555 565 T N -0.151 114.674 114.554 0.452 0.000 3.415 565 T HA 0.381 4.731 4.350 -0.000 0.000 0.282 565 T C -0.566 174.156 174.700 0.037 0.000 1.007 565 T CA -0.092 62.142 62.100 0.223 0.000 0.958 565 T CB -0.254 68.693 68.868 0.132 0.000 1.171 565 T HN -0.255 nan 8.240 nan 0.000 0.500 566 V N 1.809 121.855 119.914 0.219 0.000 2.760 566 V HA 0.464 4.584 4.120 -0.000 0.000 0.309 566 V C -2.693 173.527 176.094 0.209 0.000 1.077 566 V CA -2.602 59.749 62.300 0.084 0.000 0.910 566 V CB 2.624 34.474 31.823 0.046 0.000 1.008 566 V HN 0.061 nan 8.190 nan 0.000 0.424 567 P HA 0.178 nan 4.420 nan 0.000 0.272 567 P C -0.559 176.861 177.300 0.201 0.000 1.230 567 P CA -0.173 62.992 63.100 0.108 0.000 0.788 567 P CB 0.549 32.184 31.700 -0.108 0.000 0.949 568 E N 0.782 121.148 120.200 0.276 0.000 2.392 568 E HA 0.150 4.500 4.350 -0.000 0.000 0.264 568 E C 1.290 177.940 176.600 0.084 0.000 1.024 568 E CA 0.505 56.962 56.400 0.095 0.000 0.903 568 E CB -0.015 29.651 29.700 -0.057 0.000 0.963 568 E HN 0.510 nan 8.360 nan 0.000 0.432 569 G N 2.181 110.944 108.800 -0.061 0.000 2.492 569 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.214 569 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.214 569 G C 1.314 176.120 174.900 -0.156 0.000 1.147 569 G CA 0.520 45.579 45.100 -0.068 0.000 0.809 569 G HN 0.617 nan 8.290 nan 0.000 0.533 570 S N 0.020 115.540 115.700 -0.301 0.000 2.474 570 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 570 S C 1.797 176.211 174.600 -0.309 0.000 0.997 570 S CA 0.691 58.696 58.200 -0.326 0.000 0.949 570 S CB -0.482 62.475 63.200 -0.404 0.000 0.766 570 S HN 0.332 nan 8.310 nan 0.000 0.517 571 Y N 2.023 122.109 120.300 -0.357 0.000 2.490 571 Y HA 0.607 5.157 4.550 -0.000 0.000 0.281 571 Y C 1.255 176.785 175.900 -0.617 0.000 1.174 571 Y CA -1.007 56.687 58.100 -0.676 0.000 1.295 571 Y CB -0.853 36.814 38.460 -1.321 0.000 1.062 571 Y HN 0.418 nan 8.280 nan 0.000 0.522 572 A N -0.182 122.569 122.820 -0.114 0.000 2.306 572 A HA 0.447 4.767 4.320 -0.000 0.000 0.330 572 A C 1.417 179.015 177.584 0.023 0.000 1.146 572 A CA 0.131 52.213 52.037 0.075 0.000 0.827 572 A CB 0.403 19.509 19.000 0.176 0.000 1.178 572 A HN 0.318 nan 8.150 nan 0.000 0.490 573 T N -1.830 112.754 114.554 0.049 0.000 2.995 573 T HA -0.003 4.347 4.350 -0.000 0.000 0.269 573 T C 0.152 174.861 174.700 0.015 0.000 1.091 573 T CA 1.529 63.643 62.100 0.023 0.000 1.128 573 T CB -0.106 68.781 68.868 0.032 0.000 0.891 573 T HN 0.574 nan 8.240 nan 0.000 0.492 574 D N 1.632 122.047 120.400 0.025 0.000 2.402 574 D HA 0.298 4.937 4.640 -0.000 0.000 0.252 574 D C -2.234 174.070 176.300 0.008 0.000 1.294 574 D CA -2.320 51.688 54.000 0.013 0.000 0.948 574 D CB 2.191 43.006 40.800 0.025 0.000 1.202 574 D HN -0.007 nan 8.370 nan 0.000 0.561 575 P HA 0.029 nan 4.420 nan 0.000 0.245 575 P C 0.106 177.368 177.300 -0.064 0.000 1.212 575 P CA 0.126 63.188 63.100 -0.063 0.000 0.774 575 P CB 0.467 32.083 31.700 -0.140 0.000 0.999 576 E N 1.033 121.215 120.200 -0.031 0.000 2.044 576 E HA 0.461 4.811 4.350 -0.000 0.000 0.282 576 E C 0.771 177.428 176.600 0.095 0.000 1.031 576 E CA 0.268 56.672 56.400 0.005 0.000 0.824 576 E CB -0.250 29.453 29.700 0.004 0.000 1.076 576 E HN 0.299 nan 8.360 nan 0.000 0.395 577 G N 3.037 111.933 108.800 0.160 0.000 2.527 577 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.227 577 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.227 577 G C 0.912 175.860 174.900 0.079 0.000 1.291 577 G CA 0.111 45.317 45.100 0.177 0.000 0.904 577 G HN 0.839 nan 8.290 nan 0.000 0.577 578 T N -0.963 113.614 114.554 0.040 0.000 3.035 578 T HA 0.347 4.697 4.350 -0.000 0.000 0.268 578 T C 2.585 177.303 174.700 0.031 0.000 1.109 578 T CA 2.185 64.297 62.100 0.021 0.000 1.119 578 T CB -0.369 68.493 68.868 -0.009 0.000 0.900 578 T HN 2.113 nan 8.240 nan 0.000 0.503 579 A N 3.468 126.313 122.820 0.042 0.000 1.940 579 A HA -0.273 4.047 4.320 -0.000 0.000 0.221 579 A C 2.527 180.157 177.584 0.077 0.000 1.190 579 A CA 2.259 54.326 52.037 0.049 0.000 0.647 579 A CB -0.889 18.141 19.000 0.051 0.000 0.821 579 A HN 0.818 nan 8.150 nan 0.000 0.457 580 R N -0.268 120.294 120.500 0.103 0.000 2.152 580 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 580 R C 1.785 178.181 176.300 0.160 0.000 1.117 580 R CA 1.684 57.891 56.100 0.179 0.000 0.981 580 R CB -0.725 29.697 30.300 0.204 0.000 0.870 580 R HN 0.504 nan 8.270 nan 0.000 0.451 581 I N 1.358 121.985 120.570 0.094 0.000 2.179 581 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 581 I C 2.758 178.902 176.117 0.046 0.000 1.088 581 I CA 1.520 62.872 61.300 0.086 0.000 1.357 581 I CB -0.280 37.734 38.000 0.023 0.000 1.051 581 I HN 0.226 nan 8.210 nan 0.000 0.409 582 K N 0.965 121.363 120.400 -0.004 0.000 2.103 582 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 582 K C 1.959 178.558 176.600 -0.003 0.000 1.052 582 K CA 1.239 57.492 56.287 -0.057 0.000 0.945 582 K CB 0.078 32.549 32.500 -0.048 0.000 0.722 582 K HN 0.306 nan 8.250 nan 0.000 0.443 583 E N -0.332 119.910 120.200 0.071 0.000 2.072 583 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 583 E C 1.749 178.388 176.600 0.065 0.000 0.985 583 E CA 1.129 57.594 56.400 0.109 0.000 0.801 583 E CB -0.134 29.691 29.700 0.209 0.000 0.750 583 E HN 0.299 nan 8.360 nan 0.000 0.452 584 F N 1.649 121.489 119.950 -0.183 0.000 2.102 584 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 584 F C 2.328 178.027 175.800 -0.169 0.000 1.105 584 F CA 1.454 59.197 58.000 -0.429 0.000 1.239 584 F CB 0.132 38.880 39.000 -0.421 0.000 0.991 584 F HN -0.189 nan 8.300 nan 0.000 0.474 585 R N -0.576 120.016 120.500 0.153 0.000 2.096 585 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 585 R C 2.072 178.369 176.300 -0.004 0.000 1.127 585 R CA 1.875 57.905 56.100 -0.117 0.000 0.968 585 R CB -0.842 28.999 30.300 -0.765 0.000 0.861 585 R HN 0.254 nan 8.270 nan 0.000 0.440 586 T N 1.280 115.827 114.554 -0.012 0.000 2.788 586 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 586 T C 1.668 176.394 174.700 0.043 0.000 1.044 586 T CA 1.388 63.514 62.100 0.042 0.000 1.139 586 T CB -0.080 68.805 68.868 0.029 0.000 0.867 586 T HN 0.270 nan 8.240 nan 0.000 0.454 587 M N 0.600 120.184 119.600 -0.027 0.000 2.099 587 M HA -0.066 4.414 4.480 -0.000 0.000 0.262 587 M C 1.860 178.125 176.300 -0.058 0.000 1.067 587 M CA 1.586 56.840 55.300 -0.076 0.000 1.124 587 M CB -0.189 32.292 32.600 -0.198 0.000 1.353 587 M HN 0.089 nan 8.290 nan 0.000 0.410 588 I N 0.789 121.339 120.570 -0.033 0.000 2.163 588 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 588 I C 2.505 178.719 176.117 0.162 0.000 1.085 588 I CA 1.729 63.084 61.300 0.092 0.000 1.347 588 I CB -1.638 36.569 38.000 0.345 0.000 1.044 588 I HN 0.581 nan 8.210 nan 0.000 0.408 589 Q N 0.802 120.767 119.800 0.275 0.000 2.084 589 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 589 Q C 2.294 178.347 176.000 0.087 0.000 0.978 589 Q CA 2.097 58.024 55.803 0.207 0.000 0.844 589 Q CB 0.026 28.944 28.738 0.299 0.000 0.898 589 Q HN 0.483 nan 8.270 nan 0.000 0.426 590 A N 0.797 123.655 122.820 0.063 0.000 1.902 590 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 590 A C 1.986 179.571 177.584 0.001 0.000 1.181 590 A CA 1.286 53.337 52.037 0.023 0.000 0.623 590 A CB -0.613 18.393 19.000 0.010 0.000 0.818 590 A HN 0.481 nan 8.150 nan 0.000 0.443 591 I N -0.600 119.967 120.570 -0.005 0.000 2.179 591 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 591 I C 2.522 178.628 176.117 -0.017 0.000 1.088 591 I CA 1.620 62.908 61.300 -0.020 0.000 1.357 591 I CB -0.296 37.686 38.000 -0.031 0.000 1.051 591 I HN 0.304 nan 8.210 nan 0.000 0.409 592 K N 0.138 120.532 120.400 -0.011 0.000 2.031 592 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 592 K C 2.198 178.777 176.600 -0.035 0.000 1.049 592 K CA 1.223 57.494 56.287 -0.027 0.000 0.939 592 K CB -0.149 32.330 32.500 -0.036 0.000 0.717 592 K HN 0.300 nan 8.250 nan 0.000 0.438 593 Q N 0.384 120.171 119.800 -0.023 0.000 2.123 593 Q HA -0.106 4.234 4.340 -0.000 0.000 0.196 593 Q C 1.104 177.090 176.000 -0.023 0.000 0.958 593 Q CA 1.252 57.039 55.803 -0.026 0.000 0.841 593 Q CB 0.439 29.171 28.738 -0.010 0.000 0.915 593 Q HN 0.214 nan 8.270 nan 0.000 0.455 594 D N -0.487 119.904 120.400 -0.015 0.000 2.338 594 D HA 0.035 4.675 4.640 -0.000 0.000 0.208 594 D C 1.427 177.711 176.300 -0.025 0.000 0.997 594 D CA 0.574 54.563 54.000 -0.018 0.000 0.880 594 D CB 0.507 41.300 40.800 -0.011 0.000 0.980 594 D HN 0.249 nan 8.370 nan 0.000 0.509 595 L N -0.381 120.826 121.223 -0.026 0.000 2.590 595 L HA 0.255 4.595 4.340 -0.000 0.000 0.227 595 L C 1.217 178.074 176.870 -0.021 0.000 1.099 595 L CA 0.266 55.087 54.840 -0.031 0.000 0.872 595 L CB 0.265 42.302 42.059 -0.036 0.000 1.088 595 L HN 0.031 nan 8.230 nan 0.000 0.479 596 G N 1.139 109.925 108.800 -0.023 0.000 2.198 596 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.260 596 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.260 596 G C 0.058 174.989 174.900 0.052 0.000 1.025 596 G CA 0.341 45.429 45.100 -0.021 0.000 0.769 596 G HN 0.283 nan 8.290 nan 0.000 0.507 597 M N -0.432 119.186 119.600 0.031 0.000 2.535 597 M HA 0.393 4.873 4.480 -0.000 0.000 0.314 597 M C 0.102 176.373 176.300 -0.049 0.000 1.153 597 M CA -1.009 54.311 55.300 0.033 0.000 0.924 597 M CB 1.527 34.117 32.600 -0.016 0.000 1.710 597 M HN 0.050 nan 8.290 nan 0.000 0.451 598 N N 0.513 119.092 118.700 -0.201 0.000 2.354 598 N HA 0.479 5.218 4.740 -0.000 0.000 0.246 598 N C -1.196 174.224 175.510 -0.149 0.000 1.285 598 N CA -0.165 52.714 53.050 -0.284 0.000 0.925 598 N CB 0.845 38.889 38.487 -0.739 0.000 1.174 598 N HN 0.324 nan 8.380 nan 0.000 0.478 599 V N 1.342 121.236 119.914 -0.035 0.000 2.588 599 V HA 0.497 4.616 4.120 -0.000 0.000 0.304 599 V C -0.143 175.989 176.094 0.063 0.000 1.042 599 V CA -0.633 61.682 62.300 0.025 0.000 0.877 599 V CB 1.474 33.301 31.823 0.007 0.000 0.996 599 V HN 0.439 nan 8.190 nan 0.000 0.425 600 I N 4.449 125.073 120.570 0.090 0.000 2.474 600 I HA 0.502 4.672 4.170 -0.000 0.000 0.294 600 I C -0.288 175.814 176.117 -0.025 0.000 1.005 600 I CA -0.404 60.937 61.300 0.068 0.000 1.113 600 I CB 1.969 40.128 38.000 0.266 0.000 1.289 600 I HN 0.434 nan 8.210 nan 0.000 0.436 601 M N 4.738 124.244 119.600 -0.156 0.000 2.268 601 M HA 0.258 4.738 4.480 -0.000 0.000 0.344 601 M C -0.795 175.455 176.300 -0.083 0.000 1.106 601 M CA -0.614 54.614 55.300 -0.120 0.000 1.010 601 M CB 1.452 33.952 32.600 -0.167 0.000 1.649 601 M HN 0.422 nan 8.290 nan 0.000 0.443 602 D N 3.684 124.053 120.400 -0.053 0.000 2.325 602 D HA 0.360 5.000 4.640 -0.000 0.000 0.251 602 D C -1.098 175.193 176.300 -0.016 0.000 1.196 602 D CA -0.119 53.866 54.000 -0.025 0.000 0.866 602 D CB 0.863 41.682 40.800 0.033 0.000 1.101 602 D HN 0.380 nan 8.370 nan 0.000 0.476 603 V N 1.443 121.246 119.914 -0.186 0.000 2.715 603 V HA 0.639 4.758 4.120 -0.000 0.000 0.310 603 V C -0.009 175.870 176.094 -0.358 0.000 1.054 603 V CA -0.849 61.198 62.300 -0.422 0.000 0.928 603 V CB 1.969 33.402 31.823 -0.650 0.000 1.007 603 V HN 0.219 nan 8.190 nan 0.000 0.437 604 V N 4.372 123.936 119.914 -0.584 0.000 2.361 604 V HA 0.289 4.409 4.120 -0.000 0.000 0.252 604 V C -0.224 175.706 176.094 -0.274 0.000 0.986 604 V CA -0.076 62.075 62.300 -0.247 0.000 1.033 604 V CB -0.405 31.407 31.823 -0.019 0.000 1.282 604 V HN 0.955 nan 8.190 nan 0.000 0.514 605 Y N 1.125 121.422 120.300 -0.007 0.000 2.490 605 Y HA 0.015 4.565 4.550 -0.000 0.000 0.281 605 Y C 2.322 178.381 175.900 0.266 0.000 1.174 605 Y CA 0.299 58.397 58.100 -0.004 0.000 1.295 605 Y CB -0.108 38.297 38.460 -0.091 0.000 1.062 605 Y HN 0.630 nan 8.280 nan 0.000 0.522 606 N N 0.678 119.612 118.700 0.391 0.000 2.494 606 N HA -0.100 4.639 4.740 -0.000 0.000 0.182 606 N C -0.154 175.489 175.510 0.222 0.000 1.076 606 N CA 0.909 54.121 53.050 0.270 0.000 0.908 606 N CB -0.333 38.346 38.487 0.321 0.000 0.967 606 N HN 0.530 nan 8.380 nan 0.000 0.449 607 H N -2.449 116.728 119.070 0.178 0.000 3.003 607 H HA 0.432 4.988 4.556 -0.000 0.000 0.327 607 H C -1.029 174.403 175.328 0.173 0.000 1.353 607 H CA -0.828 55.283 56.048 0.105 0.000 1.142 607 H CB 0.734 30.510 29.762 0.023 0.000 1.864 607 H HN 0.006 nan 8.280 nan 0.000 0.529 608 T N -1.447 113.237 114.554 0.217 0.000 2.950 608 T HA 0.221 4.571 4.350 -0.000 0.000 0.288 608 T C 0.761 175.568 174.700 0.178 0.000 1.035 608 T CA -0.697 61.466 62.100 0.106 0.000 1.028 608 T CB 1.729 70.623 68.868 0.044 0.000 1.109 608 T HN 0.825 nan 8.240 nan 0.000 0.514 609 N N 0.350 119.077 118.700 0.045 0.000 2.244 609 N HA 0.029 4.769 4.740 -0.000 0.000 0.183 609 N C 0.408 175.909 175.510 -0.015 0.000 1.016 609 N CA 0.829 53.897 53.050 0.031 0.000 0.866 609 N CB -0.014 38.414 38.487 -0.098 0.000 0.980 609 N HN 0.892 nan 8.380 nan 0.000 0.430 610 A N -0.866 121.930 122.820 -0.041 0.000 2.586 610 A HA 0.727 5.047 4.320 -0.000 0.000 0.290 610 A C -1.564 176.015 177.584 -0.008 0.000 1.086 610 A CA -0.140 51.874 52.037 -0.038 0.000 0.665 610 A CB 1.013 19.959 19.000 -0.089 0.000 1.279 610 A HN 0.269 nan 8.150 nan 0.000 0.423 611 A N -0.927 121.904 122.820 0.018 0.000 2.507 611 A HA 1.107 5.427 4.320 -0.000 0.000 0.284 611 A C 0.571 178.197 177.584 0.070 0.000 1.281 611 A CA 0.055 52.138 52.037 0.076 0.000 0.744 611 A CB 0.572 19.644 19.000 0.119 0.000 1.332 611 A HN 3.001 nan 8.150 nan 0.000 0.454 612 G N -1.502 107.389 108.800 0.153 0.000 2.746 612 G HA2 0.019 3.978 3.960 -0.000 0.000 0.685 612 G HA3 0.019 3.978 3.960 -0.000 0.000 0.685 612 G C -2.276 172.557 174.900 -0.111 0.000 1.350 612 G CA -0.027 45.067 45.100 -0.010 0.000 0.837 612 G HN 0.856 nan 8.290 nan 0.000 0.564 613 P HA 0.090 nan 4.420 nan 0.000 0.255 613 P C 1.205 178.481 177.300 -0.039 0.000 1.248 613 P CA 1.749 64.785 63.100 -0.106 0.000 0.807 613 P CB 0.320 31.939 31.700 -0.135 0.000 1.150 614 T N -6.007 108.499 114.554 -0.080 0.000 2.964 614 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 614 T C 0.703 175.362 174.700 -0.069 0.000 0.982 614 T CA -0.028 62.042 62.100 -0.051 0.000 0.959 614 T CB -0.565 68.281 68.868 -0.038 0.000 1.141 614 T HN -0.130 nan 8.240 nan 0.000 0.494 615 D N 1.919 122.271 120.400 -0.081 0.000 2.455 615 D HA 0.036 4.676 4.640 -0.000 0.000 0.241 615 D C 1.311 177.544 176.300 -0.112 0.000 1.138 615 D CA -0.108 53.838 54.000 -0.090 0.000 0.877 615 D CB 1.110 41.854 40.800 -0.093 0.000 1.187 615 D HN 0.254 nan 8.370 nan 0.000 0.451 616 R N 1.819 122.254 120.500 -0.108 0.000 2.105 616 R HA -0.168 4.171 4.340 -0.000 0.000 0.239 616 R C 1.625 177.842 176.300 -0.138 0.000 1.135 616 R CA 1.973 58.018 56.100 -0.093 0.000 0.967 616 R CB -0.196 30.062 30.300 -0.070 0.000 0.861 616 R HN 0.535 nan 8.270 nan 0.000 0.442 617 T N -2.439 111.922 114.554 -0.322 0.000 3.122 617 T HA 0.104 4.454 4.350 -0.000 0.000 0.250 617 T C 0.529 175.046 174.700 -0.305 0.000 1.067 617 T CA -0.104 61.613 62.100 -0.639 0.000 0.966 617 T CB 0.350 68.630 68.868 -0.979 0.000 1.002 617 T HN 0.052 nan 8.240 nan 0.000 0.542 618 S N 0.686 116.290 115.700 -0.160 0.000 2.422 618 S HA 0.423 4.893 4.470 -0.000 0.000 0.283 618 S C 0.815 175.380 174.600 -0.059 0.000 1.163 618 S CA -0.701 57.446 58.200 -0.089 0.000 1.054 618 S CB 0.348 63.508 63.200 -0.067 0.000 0.967 618 S HN 0.262 nan 8.310 nan 0.000 0.499 619 V N 6.492 126.390 119.914 -0.026 0.000 2.735 619 V HA 0.073 4.193 4.120 -0.000 0.000 0.234 619 V C 2.146 178.258 176.094 0.031 0.000 1.121 619 V CA 0.503 62.804 62.300 0.001 0.000 1.160 619 V CB -0.894 30.918 31.823 -0.017 0.000 0.908 619 V HN 0.762 nan 8.190 nan 0.000 0.495 620 L N 0.555 121.781 121.223 0.004 0.000 2.012 620 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 620 L C 2.205 179.212 176.870 0.228 0.000 1.073 620 L CA 2.199 57.033 54.840 -0.011 0.000 0.748 620 L CB -0.544 41.360 42.059 -0.258 0.000 0.891 620 L HN 0.423 nan 8.230 nan 0.000 0.431 621 D N -0.400 120.124 120.400 0.207 0.000 2.371 621 D HA -0.117 4.523 4.640 -0.000 0.000 0.221 621 D C 2.041 178.501 176.300 0.267 0.000 0.986 621 D CA 0.803 54.973 54.000 0.283 0.000 0.899 621 D CB 0.244 41.214 40.800 0.283 0.000 0.902 621 D HN 0.156 nan 8.370 nan 0.000 0.530 622 K N -0.675 119.826 120.400 0.169 0.000 2.166 622 K HA 0.127 4.447 4.320 -0.000 0.000 0.201 622 K C 1.903 178.636 176.600 0.222 0.000 1.052 622 K CA 0.369 56.732 56.287 0.128 0.000 0.969 622 K CB 0.403 32.736 32.500 -0.278 0.000 0.761 622 K HN 0.204 nan 8.250 nan 0.000 0.459 623 I N 0.607 121.287 120.570 0.184 0.000 2.333 623 I HA -0.109 4.061 4.170 -0.000 0.000 0.246 623 I C 0.467 176.653 176.117 0.115 0.000 1.106 623 I CA 0.842 62.243 61.300 0.169 0.000 1.411 623 I CB 0.515 38.625 38.000 0.184 0.000 1.082 623 I HN -0.193 nan 8.210 nan 0.000 0.420 624 V N 2.102 122.134 119.914 0.196 0.000 2.383 624 V HA 0.286 4.406 4.120 -0.000 0.000 0.261 624 V C -2.495 173.679 176.094 0.134 0.000 0.987 624 V CA -1.473 60.865 62.300 0.063 0.000 0.853 624 V CB 0.374 32.169 31.823 -0.046 0.000 1.095 624 V HN 0.005 nan 8.190 nan 0.000 0.461 625 P HA -0.015 nan 4.420 nan 0.000 0.263 625 P C 0.052 177.424 177.300 0.121 0.000 1.175 625 P CA 0.585 63.577 63.100 -0.181 0.000 0.761 625 P CB 0.154 31.387 31.700 -0.777 0.000 0.794 626 W N 0.840 122.120 121.300 -0.033 0.000 3.207 626 W HA -0.244 4.416 4.660 -0.000 0.000 0.291 626 W C 0.946 177.548 176.519 0.138 0.000 1.105 626 W CA 0.717 58.098 57.345 0.060 0.000 0.612 626 W CB -2.894 26.586 29.460 0.033 0.000 2.140 626 W HN 0.542 nan 8.180 nan 0.000 1.420 627 Y N -1.626 118.802 120.300 0.213 0.000 2.506 627 Y HA 0.090 4.640 4.550 -0.000 0.000 0.287 627 Y C 2.094 178.090 175.900 0.159 0.000 1.147 627 Y CA 1.731 59.906 58.100 0.124 0.000 1.241 627 Y CB -0.760 37.657 38.460 -0.073 0.000 1.279 627 Y HN -0.098 nan 8.280 nan 0.000 0.527 628 Y N 0.889 121.331 120.300 0.238 0.000 2.544 628 Y HA 0.078 4.628 4.550 -0.000 0.000 0.286 628 Y C 0.448 176.199 175.900 -0.249 0.000 1.141 628 Y CA 0.134 58.204 58.100 -0.050 0.000 1.299 628 Y CB -0.040 38.425 38.460 0.008 0.000 1.030 628 Y HN 0.044 nan 8.280 nan 0.000 0.543 629 Q N 0.448 120.268 119.800 0.033 0.000 2.257 629 Q HA 0.323 4.662 4.340 -0.000 0.000 0.262 629 Q C -0.450 175.502 176.000 -0.079 0.000 0.997 629 Q CA -0.860 54.921 55.803 -0.036 0.000 0.873 629 Q CB 2.139 30.894 28.738 0.029 0.000 1.312 629 Q HN 0.209 nan 8.270 nan 0.000 0.450 630 R N 1.721 122.169 120.500 -0.086 0.000 2.308 630 R HA 0.510 4.850 4.340 -0.000 0.000 0.305 630 R C -0.693 175.569 176.300 -0.064 0.000 1.053 630 R CA -0.135 55.921 56.100 -0.073 0.000 0.957 630 R CB 0.395 30.677 30.300 -0.031 0.000 1.022 630 R HN 0.512 nan 8.270 nan 0.000 0.461 631 L N 2.682 123.861 121.223 -0.073 0.000 2.319 631 L HA 0.380 4.720 4.340 -0.000 0.000 0.267 631 L C 0.229 177.072 176.870 -0.044 0.000 1.011 631 L CA -1.208 53.555 54.840 -0.129 0.000 0.818 631 L CB 1.516 43.383 42.059 -0.321 0.000 1.316 631 L HN 0.651 nan 8.230 nan 0.000 0.432 632 N N 0.883 119.555 118.700 -0.047 0.000 2.492 632 N HA -0.038 4.702 4.740 -0.000 0.000 0.262 632 N C 0.466 176.022 175.510 0.076 0.000 1.202 632 N CA 0.051 53.115 53.050 0.023 0.000 0.926 632 N CB 1.424 39.922 38.487 0.018 0.000 1.078 632 N HN 0.625 nan 8.380 nan 0.000 0.454 633 E N 1.688 121.984 120.200 0.159 0.000 2.209 633 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 633 E C 1.070 177.887 176.600 0.362 0.000 0.993 633 E CA 1.702 58.281 56.400 0.300 0.000 0.819 633 E CB 0.154 30.003 29.700 0.248 0.000 0.745 633 E HN 0.647 nan 8.360 nan 0.000 0.477 634 T N -1.276 113.409 114.554 0.218 0.000 3.045 634 T HA -0.037 4.312 4.350 -0.000 0.000 0.239 634 T C 1.986 176.761 174.700 0.124 0.000 1.008 634 T CA 1.243 63.457 62.100 0.190 0.000 1.143 634 T CB -0.081 68.878 68.868 0.151 0.000 0.894 634 T HN 0.375 nan 8.240 nan 0.000 0.451 635 T N -0.983 113.619 114.554 0.079 0.000 3.057 635 T HA 0.374 4.724 4.350 -0.000 0.000 0.254 635 T C 1.943 176.648 174.700 0.008 0.000 1.094 635 T CA 1.001 63.138 62.100 0.062 0.000 1.088 635 T CB -0.131 68.770 68.868 0.055 0.000 0.934 635 T HN 0.513 nan 8.240 nan 0.000 0.497 636 G N 1.077 109.806 108.800 -0.118 0.000 2.184 636 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.264 636 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.264 636 G C 0.251 174.889 174.900 -0.436 0.000 0.975 636 G CA 0.220 45.045 45.100 -0.458 0.000 0.642 636 G HN 0.749 nan 8.290 nan 0.000 0.536 637 S N -0.272 115.339 115.700 -0.148 0.000 2.572 637 S HA 0.430 4.900 4.470 -0.000 0.000 0.279 637 S C 0.854 175.393 174.600 -0.102 0.000 1.341 637 S CA -0.259 57.901 58.200 -0.068 0.000 1.043 637 S CB 1.851 65.052 63.200 0.001 0.000 0.887 637 S HN 0.680 nan 8.310 nan 0.000 0.516 638 V N 3.961 123.841 119.914 -0.055 0.000 2.479 638 V HA 0.042 4.162 4.120 -0.000 0.000 0.281 638 V C 0.838 176.917 176.094 -0.024 0.000 1.031 638 V CA 0.052 62.325 62.300 -0.044 0.000 1.038 638 V CB -0.173 31.656 31.823 0.010 0.000 0.981 638 V HN 0.791 nan 8.190 nan 0.000 0.478 639 E N 3.033 123.218 120.200 -0.026 0.000 2.404 639 E HA 0.181 4.531 4.350 -0.000 0.000 0.261 639 E C 0.445 177.034 176.600 -0.017 0.000 1.074 639 E CA 0.360 56.755 56.400 -0.009 0.000 0.917 639 E CB 0.623 30.329 29.700 0.009 0.000 0.965 639 E HN 0.831 nan 8.360 nan 0.000 0.433 640 S N -0.109 115.579 115.700 -0.021 0.000 2.902 640 S HA 0.311 4.781 4.470 -0.000 0.000 0.250 640 S C 0.984 175.544 174.600 -0.067 0.000 1.046 640 S CA -0.129 58.038 58.200 -0.055 0.000 1.069 640 S CB 0.782 63.953 63.200 -0.047 0.000 0.967 640 S HN 0.519 nan 8.310 nan 0.000 0.530 641 A N 2.430 125.229 122.820 -0.035 0.000 2.019 641 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 641 A C 2.375 179.885 177.584 -0.123 0.000 1.164 641 A CA 2.003 54.043 52.037 0.005 0.000 0.644 641 A CB -1.443 17.666 19.000 0.182 0.000 0.805 641 A HN 0.814 nan 8.150 nan 0.000 0.449 642 T N -4.405 109.953 114.554 -0.326 0.000 2.951 642 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 642 T C 1.354 175.868 174.700 -0.310 0.000 1.073 642 T CA 1.910 63.747 62.100 -0.439 0.000 1.134 642 T CB -0.790 67.807 68.868 -0.451 0.000 0.884 642 T HN 1.618 nan 8.240 nan 0.000 0.479 643 C N -2.457 116.679 119.300 -0.274 0.000 6.244 643 C HA 0.011 4.471 4.460 -0.000 0.000 0.213 643 C C 1.442 176.293 174.990 -0.231 0.000 1.171 643 C CA -0.614 58.261 59.018 -0.238 0.000 1.013 643 C CB -1.333 26.233 27.740 -0.289 0.000 2.346 643 C HN 0.637 nan 8.230 nan 0.000 0.694 644 C N 1.374 120.476 119.300 -0.330 0.000 3.070 644 C HA 0.743 5.203 4.460 -0.000 0.000 0.076 644 C C 0.861 175.789 174.990 -0.104 0.000 2.295 644 C CA 0.605 59.493 59.018 -0.216 0.000 1.731 644 C CB -0.056 27.505 27.740 -0.299 0.000 2.780 644 C HN 0.649 nan 8.230 nan 0.000 0.381 645 S N 1.938 117.629 115.700 -0.015 0.000 2.488 645 S HA 0.296 4.765 4.470 -0.000 0.000 0.310 645 S C -1.254 173.381 174.600 0.058 0.000 1.093 645 S CA -0.137 58.080 58.200 0.028 0.000 1.129 645 S CB -0.308 62.923 63.200 0.053 0.000 0.989 645 S HN 0.444 nan 8.310 nan 0.000 0.479 646 D N 3.243 123.648 120.400 0.008 0.000 2.533 646 D HA 0.083 4.723 4.640 -0.000 0.000 0.236 646 D C 0.773 177.072 176.300 -0.002 0.000 1.137 646 D CA 0.474 54.479 54.000 0.008 0.000 0.867 646 D CB 0.537 41.330 40.800 -0.011 0.000 1.170 646 D HN 0.500 nan 8.370 nan 0.000 0.474 647 S N 0.572 116.268 115.700 -0.007 0.000 2.707 647 S HA 0.692 5.162 4.470 -0.000 0.000 0.276 647 S C -0.145 174.363 174.600 -0.154 0.000 1.179 647 S CA -0.971 57.139 58.200 -0.150 0.000 0.992 647 S CB 1.763 64.847 63.200 -0.192 0.000 1.030 647 S HN 0.437 nan 8.310 nan 0.000 0.554 648 A N 1.304 123.952 122.820 -0.286 0.000 2.938 648 A HA 0.619 4.939 4.320 -0.000 0.000 0.344 648 A C -2.262 175.278 177.584 -0.073 0.000 1.142 648 A CA -1.622 50.236 52.037 -0.297 0.000 0.841 648 A CB 0.171 18.746 19.000 -0.709 0.000 1.083 648 A HN 0.630 nan 8.150 nan 0.000 0.479 649 P HA -0.160 nan 4.420 nan 0.000 0.228 649 P C 1.317 178.579 177.300 -0.062 0.000 1.151 649 P CA 1.041 64.211 63.100 0.116 0.000 0.770 649 P CB 0.338 31.953 31.700 -0.141 0.000 0.786 650 E N -1.605 118.481 120.200 -0.189 0.000 2.427 650 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 650 E C 0.006 176.673 176.600 0.111 0.000 1.028 650 E CA 0.710 57.011 56.400 -0.166 0.000 0.864 650 E CB -0.741 28.854 29.700 -0.175 0.000 0.813 650 E HN 0.336 nan 8.360 nan 0.000 0.514 651 H N 1.667 120.747 119.070 0.018 0.000 2.580 651 H HA 0.296 4.851 4.556 -0.000 0.000 0.322 651 H C 1.102 176.494 175.328 0.107 0.000 1.082 651 H CA -0.498 55.555 56.048 0.009 0.000 1.383 651 H CB 1.126 30.684 29.762 -0.339 0.000 1.450 651 H HN 0.022 nan 8.280 nan 0.000 0.505 652 R N 1.782 122.431 120.500 0.249 0.000 2.113 652 R HA -0.148 4.192 4.340 -0.000 0.000 0.244 652 R C 1.498 177.872 176.300 0.123 0.000 1.142 652 R CA 1.440 57.627 56.100 0.145 0.000 0.953 652 R CB 0.035 30.387 30.300 0.087 0.000 0.860 652 R HN 0.451 nan 8.270 nan 0.000 0.438 653 M N -0.783 118.923 119.600 0.177 0.000 2.419 653 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 653 M C 1.870 178.394 176.300 0.373 0.000 1.082 653 M CA 1.089 56.413 55.300 0.040 0.000 1.119 653 M CB -0.500 31.786 32.600 -0.523 0.000 1.398 653 M HN 0.135 nan 8.290 nan 0.000 0.453 654 F N 0.746 120.908 119.950 0.353 0.000 2.270 654 F HA 0.005 4.532 4.527 -0.000 0.000 0.295 654 F C 2.230 178.103 175.800 0.123 0.000 1.087 654 F CA 0.885 59.102 58.000 0.362 0.000 1.365 654 F CB 0.139 39.352 39.000 0.354 0.000 1.056 654 F HN 0.122 nan 8.300 nan 0.000 0.506 655 A N 0.489 123.320 122.820 0.019 0.000 1.933 655 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 655 A C 2.190 179.683 177.584 -0.152 0.000 1.175 655 A CA 1.943 53.901 52.037 -0.133 0.000 0.628 655 A CB -0.758 18.218 19.000 -0.040 0.000 0.814 655 A HN 0.465 nan 8.150 nan 0.000 0.444 656 K N -0.409 119.963 120.400 -0.047 0.000 2.097 656 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 656 K C 1.960 178.553 176.600 -0.013 0.000 1.050 656 K CA 1.253 57.534 56.287 -0.009 0.000 0.938 656 K CB -0.283 32.237 32.500 0.034 0.000 0.718 656 K HN 0.451 nan 8.250 nan 0.000 0.442 657 L N 1.120 122.323 121.223 -0.033 0.000 2.046 657 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 657 L C 2.128 178.767 176.870 -0.385 0.000 1.077 657 L CA 1.210 55.972 54.840 -0.130 0.000 0.747 657 L CB -0.151 41.887 42.059 -0.034 0.000 0.896 657 L HN 0.250 nan 8.230 nan 0.000 0.432 658 I N -0.141 120.054 120.570 -0.625 0.000 2.142 658 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 658 I C 2.758 178.542 176.117 -0.555 0.000 1.078 658 I CA 1.272 62.021 61.300 -0.918 0.000 1.343 658 I CB -0.584 36.807 38.000 -1.015 0.000 1.046 658 I HN 0.339 nan 8.210 nan 0.000 0.405 659 A N 0.377 123.012 122.820 -0.308 0.000 1.902 659 A HA -0.238 4.081 4.320 -0.000 0.000 0.217 659 A C 1.935 179.488 177.584 -0.052 0.000 1.181 659 A CA 2.101 54.060 52.037 -0.130 0.000 0.623 659 A CB -0.599 18.371 19.000 -0.050 0.000 0.818 659 A HN 0.357 nan 8.150 nan 0.000 0.443 660 D N -0.700 119.688 120.400 -0.021 0.000 2.144 660 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 660 D C 2.248 178.568 176.300 0.033 0.000 0.978 660 D CA 1.458 55.507 54.000 0.082 0.000 0.833 660 D CB -0.308 40.648 40.800 0.260 0.000 0.961 660 D HN 0.414 nan 8.370 nan 0.000 0.470 661 S N -0.170 115.492 115.700 -0.064 0.000 2.355 661 S HA -0.069 4.401 4.470 -0.000 0.000 0.222 661 S C 2.097 176.776 174.600 0.132 0.000 1.031 661 S CA 0.595 58.809 58.200 0.022 0.000 0.993 661 S CB -0.285 62.967 63.200 0.086 0.000 0.859 661 S HN 0.172 nan 8.310 nan 0.000 0.453 662 L N 1.192 122.436 121.223 0.034 0.000 2.131 662 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 662 L C 2.924 179.895 176.870 0.169 0.000 1.092 662 L CA 1.111 55.950 54.840 -0.002 0.000 0.759 662 L CB -0.667 41.242 42.059 -0.251 0.000 0.903 662 L HN 0.434 nan 8.230 nan 0.000 0.435 663 A N -0.383 122.513 122.820 0.127 0.000 1.902 663 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 663 A C 2.341 180.012 177.584 0.145 0.000 1.181 663 A CA 1.750 53.877 52.037 0.150 0.000 0.623 663 A CB -0.719 18.346 19.000 0.107 0.000 0.818 663 A HN 0.190 nan 8.150 nan 0.000 0.443 664 V N -2.109 117.840 119.914 0.058 0.000 2.307 664 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 664 V C 2.268 178.416 176.094 0.090 0.000 1.045 664 V CA 1.765 64.024 62.300 -0.068 0.000 1.024 664 V CB -1.067 30.556 31.823 -0.333 0.000 0.651 664 V HN 0.805 nan 8.190 nan 0.000 0.449 665 W N 0.296 121.795 121.300 0.331 0.000 2.363 665 W HA -0.176 4.484 4.660 -0.000 0.000 0.296 665 W C 2.635 179.458 176.519 0.507 0.000 1.212 665 W CA 1.547 59.180 57.345 0.481 0.000 1.260 665 W CB -0.776 28.985 29.460 0.502 0.000 1.131 665 W HN 0.132 nan 8.180 nan 0.000 0.530 666 T N -0.660 114.303 114.554 0.682 0.000 2.668 666 T HA -0.163 4.187 4.350 -0.000 0.000 0.262 666 T C 1.629 176.533 174.700 0.340 0.000 1.045 666 T CA 2.076 64.495 62.100 0.531 0.000 1.152 666 T CB -0.759 68.405 68.868 0.493 0.000 0.864 666 T HN 0.044 nan 8.240 nan 0.000 0.419 667 T N 1.923 116.627 114.554 0.249 0.000 2.809 667 T HA -0.050 4.300 4.350 -0.000 0.000 0.260 667 T C 1.608 176.392 174.700 0.140 0.000 1.039 667 T CA 0.962 63.154 62.100 0.155 0.000 1.141 667 T CB -0.287 68.639 68.868 0.096 0.000 0.869 667 T HN 0.319 nan 8.240 nan 0.000 0.437 668 D N -0.163 120.279 120.400 0.069 0.000 2.289 668 D HA 0.030 4.669 4.640 -0.000 0.000 0.207 668 D C 0.809 177.040 176.300 -0.116 0.000 0.966 668 D CA 0.852 54.790 54.000 -0.103 0.000 0.868 668 D CB 0.109 40.669 40.800 -0.401 0.000 0.943 668 D HN 0.445 nan 8.370 nan 0.000 0.514 669 Y N 0.269 120.795 120.300 0.377 0.000 2.481 669 Y HA 0.213 4.763 4.550 -0.000 0.000 0.247 669 Y C 0.226 176.515 175.900 0.649 0.000 1.151 669 Y CA -0.450 57.993 58.100 0.571 0.000 1.238 669 Y CB 0.400 39.186 38.460 0.543 0.000 1.179 669 Y HN -0.290 nan 8.280 nan 0.000 0.524 670 K N 0.859 121.574 120.400 0.525 0.000 3.156 670 K HA -0.184 4.136 4.320 -0.000 0.000 0.266 670 K C -0.717 176.038 176.600 0.259 0.000 0.966 670 K CA 0.173 56.620 56.287 0.267 0.000 0.719 670 K CB -1.416 31.060 32.500 -0.041 0.000 1.333 670 K HN 0.177 nan 8.250 nan 0.000 0.468 671 I N 1.236 121.993 120.570 0.312 0.000 2.474 671 I HA -0.005 4.165 4.170 -0.000 0.000 0.287 671 I C 1.572 177.707 176.117 0.030 0.000 1.048 671 I CA 0.151 61.528 61.300 0.128 0.000 1.383 671 I CB 1.015 39.025 38.000 0.017 0.000 1.412 671 I HN 0.183 nan 8.210 nan 0.000 0.531 672 D N 3.870 124.269 120.400 -0.002 0.000 2.327 672 D HA 0.163 4.803 4.640 -0.000 0.000 0.205 672 D C 0.907 177.283 176.300 0.127 0.000 0.989 672 D CA 0.571 54.621 54.000 0.084 0.000 0.873 672 D CB 1.087 41.952 40.800 0.107 0.000 0.955 672 D HN 0.720 nan 8.370 nan 0.000 0.515 673 G N -0.324 108.440 108.800 -0.061 0.000 2.646 673 G HA2 0.495 4.455 3.960 -0.000 0.000 0.291 673 G HA3 0.495 4.455 3.960 -0.000 0.000 0.291 673 G C -1.857 172.839 174.900 -0.340 0.000 1.445 673 G CA -0.797 44.353 45.100 0.085 0.000 0.814 673 G HN -0.060 nan 8.290 nan 0.000 0.495 674 F N 0.314 120.351 119.950 0.145 0.000 2.556 674 F HA 0.642 5.169 4.527 -0.000 0.000 0.314 674 F C 0.323 175.767 175.800 -0.593 0.000 1.106 674 F CA -1.005 56.823 58.000 -0.287 0.000 0.911 674 F CB 2.596 41.209 39.000 -0.646 0.000 1.190 674 F HN 0.289 nan 8.300 nan 0.000 0.448 675 R N 3.662 123.838 120.500 -0.541 0.000 2.246 675 R HA 0.368 4.708 4.340 -0.000 0.000 0.332 675 R C -1.766 174.231 176.300 -0.506 0.000 0.974 675 R CA -0.472 55.115 56.100 -0.855 0.000 0.837 675 R CB 0.253 30.206 30.300 -0.577 0.000 1.145 675 R HN 0.557 nan 8.270 nan 0.000 0.467 676 F N 2.990 122.704 119.950 -0.394 0.000 2.438 676 F HA 0.103 4.630 4.527 -0.000 0.000 0.360 676 F C 0.950 176.684 175.800 -0.111 0.000 1.118 676 F CA -0.250 57.600 58.000 -0.249 0.000 1.164 676 F CB 0.614 39.402 39.000 -0.354 0.000 1.131 676 F HN 0.486 nan 8.300 nan 0.000 0.527 677 D N 3.700 124.163 120.400 0.104 0.000 2.455 677 D HA 0.106 4.746 4.640 -0.000 0.000 0.241 677 D C 0.494 176.926 176.300 0.220 0.000 1.138 677 D CA 0.124 54.219 54.000 0.158 0.000 0.877 677 D CB 0.547 41.479 40.800 0.220 0.000 1.187 677 D HN 0.578 nan 8.370 nan 0.000 0.451 678 L N 3.399 124.749 121.223 0.210 0.000 3.954 678 L HA -0.274 4.066 4.340 -0.000 0.000 0.462 678 L C 1.505 178.607 176.870 0.387 0.000 1.195 678 L CA 0.002 55.035 54.840 0.321 0.000 0.739 678 L CB -1.073 41.192 42.059 0.344 0.000 1.599 678 L HN 0.764 nan 8.230 nan 0.000 0.838 679 M N 0.399 120.121 119.600 0.203 0.000 2.267 679 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 679 M C 2.103 178.518 176.300 0.191 0.000 1.063 679 M CA 2.120 57.485 55.300 0.108 0.000 1.090 679 M CB 0.048 32.594 32.600 -0.089 0.000 1.392 679 M HN 0.693 nan 8.290 nan 0.000 0.422 680 L N -2.250 119.072 121.223 0.164 0.000 2.265 680 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 680 L C 1.171 178.103 176.870 0.103 0.000 1.117 680 L CA 1.254 56.149 54.840 0.093 0.000 0.782 680 L CB -1.297 40.782 42.059 0.035 0.000 0.914 680 L HN 0.204 nan 8.230 nan 0.000 0.441 681 Y N -0.516 119.933 120.300 0.248 0.000 2.490 681 Y HA 0.157 4.706 4.550 -0.000 0.000 0.281 681 Y C 0.400 176.428 175.900 0.213 0.000 1.174 681 Y CA -0.192 58.045 58.100 0.229 0.000 1.295 681 Y CB -0.295 38.262 38.460 0.162 0.000 1.062 681 Y HN 0.282 nan 8.280 nan 0.000 0.522 682 H N -0.684 118.523 119.070 0.227 0.000 2.499 682 H HA 0.319 4.875 4.556 -0.000 0.000 0.340 682 H C -2.383 172.892 175.328 -0.088 0.000 1.148 682 H CA -2.502 53.556 56.048 0.017 0.000 1.215 682 H CB 1.015 30.738 29.762 -0.066 0.000 1.529 682 H HN -0.154 nan 8.280 nan 0.000 0.510 683 P HA -0.001 nan 4.420 nan 0.000 0.271 683 P C 0.646 177.881 177.300 -0.107 0.000 1.216 683 P CA -0.280 62.572 63.100 -0.414 0.000 0.776 683 P CB 1.017 32.274 31.700 -0.739 0.000 0.881 684 K N 3.439 123.835 120.400 -0.007 0.000 2.063 684 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 684 K C 1.675 178.248 176.600 -0.045 0.000 1.048 684 K CA 1.967 58.240 56.287 -0.024 0.000 0.928 684 K CB -0.632 31.874 32.500 0.009 0.000 0.713 684 K HN 0.433 nan 8.250 nan 0.000 0.442 685 A N 1.340 124.134 122.820 -0.043 0.000 1.933 685 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 685 A C 2.172 179.723 177.584 -0.055 0.000 1.175 685 A CA 1.569 53.583 52.037 -0.039 0.000 0.628 685 A CB -0.610 18.367 19.000 -0.038 0.000 0.814 685 A HN 0.525 nan 8.150 nan 0.000 0.444 686 Q N -0.247 119.495 119.800 -0.096 0.000 2.079 686 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 686 Q C 1.975 177.918 176.000 -0.096 0.000 0.974 686 Q CA 1.346 57.091 55.803 -0.096 0.000 0.840 686 Q CB -0.225 28.440 28.738 -0.122 0.000 0.898 686 Q HN 0.567 nan 8.270 nan 0.000 0.430 687 I N 1.225 121.711 120.570 -0.141 0.000 2.226 687 I HA -0.271 3.898 4.170 -0.000 0.000 0.245 687 I C 2.487 178.592 176.117 -0.020 0.000 1.100 687 I CA 0.955 62.127 61.300 -0.213 0.000 1.374 687 I CB -1.159 36.636 38.000 -0.341 0.000 1.057 687 I HN 0.226 nan 8.210 nan 0.000 0.413 688 L N -0.208 121.019 121.223 0.007 0.000 2.093 688 L HA -0.183 4.156 4.340 -0.000 0.000 0.208 688 L C 2.727 179.668 176.870 0.119 0.000 1.085 688 L CA 1.251 56.156 54.840 0.108 0.000 0.755 688 L CB -0.575 41.532 42.059 0.080 0.000 0.904 688 L HN 0.219 nan 8.230 nan 0.000 0.435 689 S N -0.175 115.556 115.700 0.052 0.000 2.368 689 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 689 S C 2.159 176.796 174.600 0.061 0.000 1.029 689 S CA 1.180 59.400 58.200 0.034 0.000 0.988 689 S CB -0.055 63.146 63.200 0.001 0.000 0.838 689 S HN 0.425 nan 8.310 nan 0.000 0.462 690 A N 0.394 123.268 122.820 0.090 0.000 1.902 690 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 690 A C 1.896 179.652 177.584 0.285 0.000 1.181 690 A CA 1.667 53.802 52.037 0.163 0.000 0.623 690 A CB -1.268 17.824 19.000 0.153 0.000 0.818 690 A HN 0.812 nan 8.150 nan 0.000 0.443 691 W N 0.985 122.291 121.300 0.011 0.000 2.358 691 W HA -0.121 4.539 4.660 -0.000 0.000 0.303 691 W C 1.999 178.384 176.519 -0.223 0.000 1.208 691 W CA 1.619 58.723 57.345 -0.402 0.000 1.274 691 W CB -0.469 28.679 29.460 -0.520 0.000 1.138 691 W HN 0.530 nan 8.180 nan 0.000 0.515 692 E N -0.556 119.600 120.200 -0.074 0.000 2.085 692 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 692 E C 2.285 178.810 176.600 -0.125 0.000 0.994 692 E CA 1.262 57.557 56.400 -0.176 0.000 0.801 692 E CB -0.173 29.478 29.700 -0.082 0.000 0.743 692 E HN 0.004 nan 8.360 nan 0.000 0.453 693 R N 0.480 120.960 120.500 -0.033 0.000 2.070 693 R HA -0.099 4.241 4.340 -0.000 0.000 0.233 693 R C 2.239 178.547 176.300 0.014 0.000 1.137 693 R CA 0.956 57.057 56.100 0.001 0.000 0.945 693 R CB -0.632 29.691 30.300 0.039 0.000 0.845 693 R HN 0.242 nan 8.270 nan 0.000 0.430 694 I N 1.257 121.860 120.570 0.055 0.000 2.394 694 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 694 I C 1.899 178.025 176.117 0.015 0.000 1.136 694 I CA 1.032 62.401 61.300 0.115 0.000 1.425 694 I CB -0.847 37.338 38.000 0.309 0.000 1.079 694 I HN 0.122 nan 8.210 nan 0.000 0.425 695 K N 0.918 121.220 120.400 -0.164 0.000 2.360 695 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 695 K C 2.022 178.548 176.600 -0.123 0.000 1.046 695 K CA 1.119 57.267 56.287 -0.233 0.000 0.945 695 K CB -0.027 32.168 32.500 -0.509 0.000 0.750 695 K HN 0.293 nan 8.250 nan 0.000 0.464 696 A N 0.656 123.428 122.820 -0.080 0.000 2.067 696 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 696 A C 1.883 179.463 177.584 -0.007 0.000 1.156 696 A CA 0.795 52.804 52.037 -0.046 0.000 0.683 696 A CB -0.125 18.855 19.000 -0.034 0.000 0.808 696 A HN 0.123 nan 8.150 nan 0.000 0.455 697 L N -1.287 119.950 121.223 0.024 0.000 2.200 697 L HA 0.143 4.482 4.340 -0.000 0.000 0.200 697 L C 0.663 177.570 176.870 0.062 0.000 1.072 697 L CA 0.459 55.332 54.840 0.055 0.000 0.787 697 L CB -0.026 42.092 42.059 0.097 0.000 0.957 697 L HN 0.332 nan 8.230 nan 0.000 0.459 698 N N 0.143 118.890 118.700 0.079 0.000 2.576 698 N HA 0.174 4.914 4.740 -0.000 0.000 0.269 698 N C -2.146 173.396 175.510 0.054 0.000 1.058 698 N CA -1.894 51.209 53.050 0.088 0.000 0.860 698 N CB 1.791 40.372 38.487 0.157 0.000 1.249 698 N HN -0.166 nan 8.380 nan 0.000 0.525 699 P HA -0.014 nan 4.420 nan 0.000 0.225 699 P C -0.284 177.020 177.300 0.007 0.000 1.148 699 P CA 1.017 64.097 63.100 -0.033 0.000 0.779 699 P CB 0.564 32.243 31.700 -0.033 0.000 0.780 700 D N -0.807 119.641 120.400 0.081 0.000 2.402 700 D HA 0.134 4.774 4.640 -0.000 0.000 0.216 700 D C 0.727 177.180 176.300 0.254 0.000 1.128 700 D CA -0.618 53.469 54.000 0.145 0.000 0.833 700 D CB -0.201 40.669 40.800 0.116 0.000 0.971 700 D HN 0.169 nan 8.370 nan 0.000 0.503 701 I N 1.163 121.905 120.570 0.286 0.000 2.813 701 I HA -0.034 4.136 4.170 -0.000 0.000 0.287 701 I C -0.629 175.857 176.117 0.615 0.000 1.196 701 I CA 0.033 61.596 61.300 0.437 0.000 1.421 701 I CB 0.277 38.566 38.000 0.482 0.000 1.365 701 I HN -0.111 nan 8.210 nan 0.000 0.591 702 Y N 7.538 128.131 120.300 0.489 0.000 2.364 702 Y HA 0.575 5.125 4.550 -0.000 0.000 0.340 702 Y C -1.453 174.859 175.900 0.688 0.000 0.975 702 Y CA -1.021 57.347 58.100 0.445 0.000 1.089 702 Y CB 0.888 39.515 38.460 0.279 0.000 1.192 702 Y HN 0.354 nan 8.280 nan 0.000 0.454 703 F N 7.508 127.136 119.950 -0.537 0.000 2.495 703 F HA 0.618 5.145 4.527 -0.000 0.000 0.327 703 F C -0.740 174.714 175.800 -0.576 0.000 1.103 703 F CA -1.555 56.232 58.000 -0.355 0.000 0.949 703 F CB 1.258 39.987 39.000 -0.452 0.000 1.142 703 F HN 0.444 nan 8.300 nan 0.000 0.457 704 F N -0.291 119.508 119.950 -0.252 0.000 2.773 704 F HA 0.927 5.454 4.527 -0.000 0.000 0.314 704 F C -0.597 175.163 175.800 -0.067 0.000 1.160 704 F CA -1.318 56.507 58.000 -0.292 0.000 0.920 704 F CB 1.473 40.246 39.000 -0.377 0.000 1.323 704 F HN 0.741 nan 8.300 nan 0.000 0.457 705 G N 0.054 108.790 108.800 -0.106 0.000 2.340 705 G HA2 0.391 4.351 3.960 -0.000 0.000 0.299 705 G HA3 0.391 4.351 3.960 -0.000 0.000 0.299 705 G C -2.189 172.724 174.900 0.022 0.000 1.291 705 G CA -1.027 44.041 45.100 -0.054 0.000 0.841 705 G HN 0.806 nan 8.290 nan 0.000 0.500 706 E N 0.257 120.424 120.200 -0.055 0.000 2.104 706 E HA 0.422 4.772 4.350 -0.000 0.000 0.278 706 E C 0.482 176.721 176.600 -0.601 0.000 1.127 706 E CA 0.050 56.143 56.400 -0.510 0.000 0.897 706 E CB 1.125 30.569 29.700 -0.427 0.000 1.043 706 E HN 0.616 nan 8.360 nan 0.000 0.410 707 G N 3.930 112.295 108.800 -0.725 0.000 4.294 707 G HA2 0.128 4.088 3.960 -0.000 0.000 0.301 707 G HA3 0.128 4.088 3.960 -0.000 0.000 0.301 707 G C -0.344 174.409 174.900 -0.245 0.000 1.321 707 G CA -0.580 44.285 45.100 -0.392 0.000 1.190 707 G HN 0.449 nan 8.290 nan 0.000 0.600 708 W N -0.290 121.050 121.300 0.066 0.000 1.738 708 W HA 0.363 5.023 4.660 -0.000 0.000 0.433 708 W C 0.354 176.879 176.519 0.010 0.000 1.942 708 W CA -0.904 56.479 57.345 0.062 0.000 2.155 708 W CB 0.597 30.122 29.460 0.109 0.000 1.489 708 W HN -0.020 nan 8.180 nan 0.000 0.768 709 D N 0.009 120.577 120.400 0.281 0.000 2.317 709 D HA 0.085 4.725 4.640 -0.000 0.000 0.234 709 D C 0.677 176.977 176.300 0.001 0.000 1.112 709 D CA -0.042 54.009 54.000 0.085 0.000 0.840 709 D CB 1.396 42.232 40.800 0.061 0.000 1.078 709 D HN 0.346 nan 8.370 nan 0.000 0.486 710 S N 2.601 118.184 115.700 -0.195 0.000 2.548 710 S HA -0.021 4.449 4.470 -0.000 0.000 0.215 710 S C 1.017 175.369 174.600 -0.414 0.000 0.976 710 S CA 0.056 57.909 58.200 -0.578 0.000 0.908 710 S CB -0.406 62.102 63.200 -1.153 0.000 0.781 710 S HN 0.792 nan 8.310 nan 0.000 0.519 711 N N 0.401 118.964 118.700 -0.228 0.000 2.782 711 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 711 N C -0.159 175.213 175.510 -0.229 0.000 1.101 711 N CA 0.751 53.702 53.050 -0.165 0.000 0.764 711 N CB -0.631 37.805 38.487 -0.085 0.000 1.122 711 N HN 0.418 nan 8.380 nan 0.000 0.561 712 Q N -0.615 118.975 119.800 -0.350 0.000 2.219 712 Q HA 0.233 4.573 4.340 -0.000 0.000 0.209 712 Q C 1.207 176.829 176.000 -0.630 0.000 0.854 712 Q CA 0.024 55.518 55.803 -0.514 0.000 0.960 712 Q CB 0.558 28.904 28.738 -0.653 0.000 1.116 712 Q HN 0.276 nan 8.270 nan 0.000 0.500 713 S N 2.234 117.708 115.700 -0.376 0.000 2.465 713 S HA -0.133 4.337 4.470 -0.000 0.000 0.241 713 S C 1.403 175.861 174.600 -0.237 0.000 1.000 713 S CA 1.423 59.458 58.200 -0.277 0.000 0.964 713 S CB -0.045 63.068 63.200 -0.145 0.000 0.763 713 S HN 0.557 nan 8.310 nan 0.000 0.512 714 D N 0.849 121.107 120.400 -0.237 0.000 2.317 714 D HA -0.090 4.549 4.640 -0.000 0.000 0.211 714 D C 1.633 177.829 176.300 -0.173 0.000 0.966 714 D CA 0.560 54.474 54.000 -0.142 0.000 0.876 714 D CB -0.136 40.612 40.800 -0.086 0.000 0.927 714 D HN 0.360 nan 8.370 nan 0.000 0.519 715 R N -0.620 119.637 120.500 -0.405 0.000 2.206 715 R HA 0.222 4.562 4.340 -0.000 0.000 0.198 715 R C -0.000 176.231 176.300 -0.115 0.000 0.986 715 R CA 0.360 56.207 56.100 -0.421 0.000 1.029 715 R CB 0.453 30.343 30.300 -0.682 0.000 0.966 715 R HN 0.245 nan 8.270 nan 0.000 0.487 716 F N -1.927 117.989 119.950 -0.057 0.000 2.842 716 F HA 0.284 4.811 4.527 -0.000 0.000 0.319 716 F C -1.282 174.497 175.800 -0.035 0.000 1.159 716 F CA -1.658 56.323 58.000 -0.032 0.000 0.902 716 F CB 0.857 39.840 39.000 -0.028 0.000 1.311 716 F HN -0.314 nan 8.300 nan 0.000 0.453 717 E N 2.997 123.372 120.200 0.292 0.000 2.265 717 E HA 0.367 4.717 4.350 -0.000 0.000 0.272 717 E C -0.100 176.678 176.600 0.297 0.000 1.067 717 E CA -0.491 56.014 56.400 0.177 0.000 0.900 717 E CB 0.507 30.270 29.700 0.105 0.000 1.017 717 E HN 0.652 nan 8.360 nan 0.000 0.431 718 I N 0.899 121.587 120.570 0.196 0.000 2.823 718 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 718 I C 0.117 176.292 176.117 0.096 0.000 1.091 718 I CA -0.710 60.721 61.300 0.219 0.000 1.365 718 I CB 1.283 39.324 38.000 0.068 0.000 1.427 718 I HN 0.436 nan 8.210 nan 0.000 0.583 719 A N 4.488 127.352 122.820 0.075 0.000 3.004 719 A HA 0.449 4.769 4.320 -0.000 0.000 0.286 719 A C 0.435 177.986 177.584 -0.054 0.000 1.632 719 A CA -0.192 51.835 52.037 -0.016 0.000 1.339 719 A CB -1.215 17.747 19.000 -0.063 0.000 1.136 719 A HN 0.840 nan 8.150 nan 0.000 0.577 720 S N 0.810 116.474 115.700 -0.060 0.000 2.718 720 S HA 0.385 4.854 4.470 -0.000 0.000 0.300 720 S C 0.815 175.313 174.600 -0.170 0.000 1.117 720 S CA -0.574 57.566 58.200 -0.100 0.000 1.002 720 S CB 0.854 64.019 63.200 -0.059 0.000 1.092 720 S HN 0.579 nan 8.310 nan 0.000 0.542 721 Q N 0.067 119.698 119.800 -0.282 0.000 2.077 721 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 721 Q C 1.897 177.642 176.000 -0.425 0.000 0.989 721 Q CA 2.108 57.566 55.803 -0.575 0.000 0.853 721 Q CB -0.598 27.498 28.738 -1.069 0.000 0.907 721 Q HN 0.728 nan 8.270 nan 0.000 0.418 722 I N 0.980 121.401 120.570 -0.249 0.000 2.142 722 I HA -0.272 3.897 4.170 -0.000 0.000 0.240 722 I C 1.679 177.783 176.117 -0.021 0.000 1.078 722 I CA 0.921 62.177 61.300 -0.073 0.000 1.343 722 I CB -0.348 37.642 38.000 -0.017 0.000 1.046 722 I HN 0.254 nan 8.210 nan 0.000 0.405 723 N N 0.801 119.482 118.700 -0.032 0.000 2.396 723 N HA -0.050 4.689 4.740 -0.000 0.000 0.180 723 N C 1.641 177.147 175.510 -0.006 0.000 1.028 723 N CA 0.985 54.031 53.050 -0.007 0.000 0.893 723 N CB -0.121 38.365 38.487 -0.002 0.000 0.967 723 N HN 0.374 nan 8.380 nan 0.000 0.440 724 L N 0.553 121.759 121.223 -0.029 0.000 2.591 724 L HA 0.098 4.437 4.340 -0.000 0.000 0.228 724 L C 0.910 177.794 176.870 0.022 0.000 1.133 724 L CA -0.083 54.743 54.840 -0.022 0.000 0.880 724 L CB -0.093 41.926 42.059 -0.065 0.000 1.033 724 L HN -0.004 nan 8.230 nan 0.000 0.450 725 K N 1.106 121.539 120.400 0.054 0.000 2.491 725 K HA 0.057 4.377 4.320 -0.000 0.000 0.279 725 K C 1.186 177.831 176.600 0.075 0.000 1.026 725 K CA 0.974 57.318 56.287 0.096 0.000 1.070 725 K CB 0.212 32.780 32.500 0.114 0.000 0.887 725 K HN 0.241 nan 8.250 nan 0.000 0.481 726 G N 2.569 111.417 108.800 0.080 0.000 2.179 726 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 726 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 726 G C 0.725 175.673 174.900 0.080 0.000 0.977 726 G CA 0.895 46.040 45.100 0.076 0.000 0.641 726 G HN 0.799 nan 8.290 nan 0.000 0.533 727 T N -2.542 112.052 114.554 0.066 0.000 3.043 727 T HA 0.407 4.757 4.350 -0.000 0.000 0.263 727 T C 2.523 177.276 174.700 0.089 0.000 1.094 727 T CA 1.852 63.998 62.100 0.077 0.000 1.127 727 T CB 0.159 69.043 68.868 0.025 0.000 0.905 727 T HN 2.227 nan 8.240 nan 0.000 0.490 728 G N 1.169 109.991 108.800 0.036 0.000 2.176 728 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.232 728 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.232 728 G C -0.047 174.705 174.900 -0.248 0.000 0.986 728 G CA -0.066 45.044 45.100 0.016 0.000 0.643 728 G HN 0.543 nan 8.290 nan 0.000 0.522 729 I N 2.311 122.703 120.570 -0.297 0.000 2.325 729 I HA 0.499 4.669 4.170 -0.000 0.000 0.291 729 I C 1.330 177.345 176.117 -0.171 0.000 1.019 729 I CA -0.213 60.856 61.300 -0.385 0.000 1.302 729 I CB 0.518 38.317 38.000 -0.334 0.000 1.401 729 I HN 0.144 nan 8.210 nan 0.000 0.485 730 G N 4.696 113.404 108.800 -0.154 0.000 2.507 730 G HA2 0.598 4.558 3.960 -0.000 0.000 0.271 730 G HA3 0.598 4.558 3.960 -0.000 0.000 0.271 730 G C -0.337 174.551 174.900 -0.021 0.000 1.189 730 G CA -0.158 44.944 45.100 0.002 0.000 0.859 730 G HN 0.671 nan 8.290 nan 0.000 0.542 731 T N -1.847 112.698 114.554 -0.015 0.000 2.933 731 T HA 0.534 4.884 4.350 -0.000 0.000 0.305 731 T C -0.588 174.080 174.700 -0.054 0.000 1.092 731 T CA -0.808 61.249 62.100 -0.073 0.000 1.008 731 T CB 1.246 70.045 68.868 -0.115 0.000 1.102 731 T HN 0.231 nan 8.240 nan 0.000 0.469 732 F N 1.978 121.866 119.950 -0.103 0.000 2.572 732 F HA 0.412 4.939 4.527 -0.000 0.000 0.370 732 F C 1.425 177.341 175.800 0.195 0.000 1.103 732 F CA 0.278 58.266 58.000 -0.021 0.000 1.286 732 F CB 0.808 39.702 39.000 -0.176 0.000 1.105 732 F HN 0.675 nan 8.300 nan 0.000 0.583 733 S N 2.000 118.018 115.700 0.531 0.000 2.442 733 S HA 0.234 4.704 4.470 -0.000 0.000 0.297 733 S C 0.375 175.241 174.600 0.444 0.000 1.131 733 S CA -0.965 57.516 58.200 0.468 0.000 1.092 733 S CB 0.543 63.892 63.200 0.248 0.000 0.998 733 S HN 0.605 nan 8.310 nan 0.000 0.478 734 D N 4.144 124.766 120.400 0.371 0.000 2.349 734 D HA 0.106 4.746 4.640 -0.000 0.000 0.214 734 D C 1.379 177.542 176.300 -0.228 0.000 1.063 734 D CA -0.003 54.086 54.000 0.148 0.000 0.847 734 D CB 0.062 41.009 40.800 0.245 0.000 0.933 734 D HN 0.286 nan 8.370 nan 0.000 0.513 735 R N 0.709 120.982 120.500 -0.379 0.000 2.078 735 R HA 0.130 4.470 4.340 -0.000 0.000 0.224 735 R C 2.316 178.476 176.300 -0.233 0.000 1.149 735 R CA 0.822 56.589 56.100 -0.554 0.000 0.916 735 R CB -1.251 28.818 30.300 -0.385 0.000 0.821 735 R HN 0.230 nan 8.270 nan 0.000 0.434 736 L N 0.855 121.991 121.223 -0.145 0.000 2.083 736 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 736 L C 2.579 179.396 176.870 -0.087 0.000 1.083 736 L CA 1.480 56.264 54.840 -0.093 0.000 0.752 736 L CB -0.234 41.789 42.059 -0.059 0.000 0.899 736 L HN 0.178 nan 8.230 nan 0.000 0.433 737 R N -0.064 120.354 120.500 -0.138 0.000 2.115 737 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 737 R C 1.810 178.042 176.300 -0.112 0.000 1.133 737 R CA 2.556 58.521 56.100 -0.224 0.000 0.935 737 R CB -0.494 29.523 30.300 -0.471 0.000 0.853 737 R HN 0.436 nan 8.270 nan 0.000 0.433 738 D N -0.149 120.224 120.400 -0.045 0.000 2.183 738 D HA -0.049 4.591 4.640 -0.000 0.000 0.203 738 D C 1.723 178.054 176.300 0.051 0.000 0.969 738 D CA 1.321 55.348 54.000 0.045 0.000 0.842 738 D CB -0.231 40.680 40.800 0.185 0.000 0.957 738 D HN 0.435 nan 8.370 nan 0.000 0.484 739 A N 0.403 123.241 122.820 0.030 0.000 1.933 739 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 739 A C 2.422 180.013 177.584 0.012 0.000 1.175 739 A CA 1.201 53.246 52.037 0.014 0.000 0.628 739 A CB -0.496 18.483 19.000 -0.035 0.000 0.814 739 A HN 0.159 nan 8.150 nan 0.000 0.444 740 V N -0.699 119.217 119.914 0.004 0.000 2.446 740 V HA -0.116 4.003 4.120 -0.000 0.000 0.244 740 V C 2.548 178.661 176.094 0.032 0.000 1.039 740 V CA 1.815 64.128 62.300 0.021 0.000 1.045 740 V CB -0.697 31.137 31.823 0.017 0.000 0.681 740 V HN 0.479 nan 8.190 nan 0.000 0.459 741 R N 0.187 120.698 120.500 0.019 0.000 2.090 741 R HA 0.264 4.604 4.340 -0.000 0.000 0.228 741 R C 1.023 177.345 176.300 0.038 0.000 1.110 741 R CA 0.877 56.994 56.100 0.028 0.000 0.973 741 R CB -0.178 30.130 30.300 0.014 0.000 0.869 741 R HN 0.593 nan 8.270 nan 0.000 0.440 742 G N -0.819 108.003 108.800 0.038 0.000 2.712 742 G HA2 0.204 4.163 3.960 -0.000 0.000 0.686 742 G HA3 0.204 4.163 3.960 -0.000 0.000 0.686 742 G C 0.205 175.131 174.900 0.043 0.000 1.181 742 G CA -0.502 44.624 45.100 0.044 0.000 0.762 742 G HN 0.604 nan 8.290 nan 0.000 0.641 743 G N 0.044 108.871 108.800 0.045 0.000 2.564 743 G HA2 0.484 4.443 3.960 -0.000 0.000 0.273 743 G HA3 0.484 4.443 3.960 -0.000 0.000 0.273 743 G C 1.209 176.147 174.900 0.064 0.000 1.242 743 G CA 1.248 46.373 45.100 0.042 0.000 0.951 743 G HN 2.870 nan 8.290 nan 0.000 0.564 744 G N -2.028 106.813 108.800 0.069 0.000 2.695 744 G HA2 0.777 4.736 3.960 -0.000 0.000 0.290 744 G HA3 0.777 4.736 3.960 -0.000 0.000 0.290 744 G C -1.579 173.331 174.900 0.017 0.000 1.410 744 G CA 0.343 45.505 45.100 0.103 0.000 0.844 744 G HN 0.696 nan 8.290 nan 0.000 0.478 745 P HA 0.009 nan 4.420 nan 0.000 0.230 745 P C 0.647 177.679 177.300 -0.446 0.000 1.158 745 P CA 0.812 63.674 63.100 -0.397 0.000 0.769 745 P CB 0.055 31.367 31.700 -0.646 0.000 0.807 746 F N -0.473 119.442 119.950 -0.059 0.000 2.749 746 F HA 0.194 4.720 4.527 -0.000 0.000 0.300 746 F C 0.856 176.621 175.800 -0.059 0.000 1.103 746 F CA -0.726 57.239 58.000 -0.058 0.000 1.342 746 F CB -1.009 37.951 39.000 -0.066 0.000 1.098 746 F HN -0.228 nan 8.300 nan 0.000 0.586 747 D N 1.396 121.857 120.400 0.102 0.000 2.449 747 D HA 0.222 4.862 4.640 -0.000 0.000 0.236 747 D C 0.520 176.797 176.300 -0.039 0.000 1.149 747 D CA 0.492 54.501 54.000 0.016 0.000 0.878 747 D CB 0.895 41.678 40.800 -0.028 0.000 1.198 747 D HN 0.222 nan 8.370 nan 0.000 0.446 748 S N -0.437 115.227 115.700 -0.061 0.000 2.607 748 S HA 0.746 5.216 4.470 -0.000 0.000 0.273 748 S C 0.460 174.996 174.600 -0.108 0.000 1.148 748 S CA -0.088 58.060 58.200 -0.086 0.000 0.833 748 S CB 1.926 65.097 63.200 -0.049 0.000 1.130 748 S HN 0.798 nan 8.310 nan 0.000 0.470 749 G N 1.997 110.726 108.800 -0.118 0.000 2.566 749 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 749 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 749 G C 0.125 174.945 174.900 -0.133 0.000 1.225 749 G CA 0.855 45.892 45.100 -0.104 0.000 0.966 749 G HN 0.843 nan 8.290 nan 0.000 0.560 750 D N 0.845 121.191 120.400 -0.090 0.000 2.263 750 D HA 0.202 4.842 4.640 -0.000 0.000 0.208 750 D C 2.656 178.900 176.300 -0.093 0.000 0.971 750 D CA 1.976 55.927 54.000 -0.082 0.000 0.867 750 D CB -0.560 40.211 40.800 -0.048 0.000 0.929 750 D HN 0.849 nan 8.370 nan 0.000 0.492 751 A N 0.226 122.990 122.820 -0.094 0.000 1.978 751 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 751 A C 2.152 179.667 177.584 -0.116 0.000 1.170 751 A CA 0.817 52.805 52.037 -0.081 0.000 0.636 751 A CB -0.675 18.287 19.000 -0.064 0.000 0.810 751 A HN 0.259 nan 8.150 nan 0.000 0.448 752 L N -1.470 119.625 121.223 -0.213 0.000 2.131 752 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 752 L C 2.756 179.493 176.870 -0.222 0.000 1.092 752 L CA 1.813 56.447 54.840 -0.343 0.000 0.759 752 L CB -0.297 41.266 42.059 -0.826 0.000 0.903 752 L HN 0.485 nan 8.230 nan 0.000 0.435 753 R N -0.645 119.768 120.500 -0.144 0.000 2.128 753 R HA -0.044 4.296 4.340 -0.000 0.000 0.211 753 R C 2.264 178.555 176.300 -0.016 0.000 1.067 753 R CA 0.448 56.528 56.100 -0.034 0.000 1.010 753 R CB 0.087 30.382 30.300 -0.008 0.000 0.922 753 R HN 0.302 nan 8.270 nan 0.000 0.457 754 Q N 0.411 120.193 119.800 -0.030 0.000 2.096 754 Q HA -0.081 4.259 4.340 -0.000 0.000 0.204 754 Q C 0.012 176.010 176.000 -0.003 0.000 0.982 754 Q CA 1.054 56.849 55.803 -0.014 0.000 0.850 754 Q CB -0.000 28.725 28.738 -0.021 0.000 0.901 754 Q HN 0.234 nan 8.270 nan 0.000 0.422 755 N N 2.280 120.974 118.700 -0.009 0.000 2.971 755 N HA 0.034 4.773 4.740 -0.000 0.000 0.294 755 N C -0.809 174.714 175.510 0.021 0.000 1.210 755 N CA 0.362 53.416 53.050 0.007 0.000 1.157 755 N CB 0.184 38.673 38.487 0.003 0.000 1.450 755 N HN 0.289 nan 8.380 nan 0.000 0.527 756 Q N -0.209 119.608 119.800 0.029 0.000 2.417 756 Q HA 0.431 4.770 4.340 -0.000 0.000 0.241 756 Q C 0.854 176.883 176.000 0.048 0.000 1.008 756 Q CA -0.145 55.683 55.803 0.041 0.000 0.901 756 Q CB 0.927 29.694 28.738 0.047 0.000 1.259 756 Q HN 0.482 nan 8.270 nan 0.000 0.489 757 G N -0.563 108.269 108.800 0.054 0.000 2.735 757 G HA2 0.355 4.315 3.960 -0.000 0.000 0.301 757 G HA3 0.355 4.315 3.960 -0.000 0.000 0.301 757 G C 0.579 175.524 174.900 0.076 0.000 1.279 757 G CA -0.707 44.427 45.100 0.056 0.000 1.019 757 G HN 0.461 nan 8.290 nan 0.000 0.497 758 V N 0.821 120.775 119.914 0.067 0.000 2.392 758 V HA -0.100 4.020 4.120 -0.000 0.000 0.249 758 V C 2.959 179.142 176.094 0.148 0.000 1.059 758 V CA 2.540 64.891 62.300 0.085 0.000 1.051 758 V CB -0.830 31.023 31.823 0.050 0.000 0.658 758 V HN 0.835 nan 8.190 nan 0.000 0.455 759 G N -0.208 108.666 108.800 0.123 0.000 2.509 759 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 759 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 759 G C 1.291 176.261 174.900 0.116 0.000 1.124 759 G CA 1.021 46.207 45.100 0.144 0.000 0.776 759 G HN 0.676 nan 8.290 nan 0.000 0.547 760 S N -1.261 114.496 115.700 0.095 0.000 2.664 760 S HA 0.463 4.932 4.470 -0.000 0.000 0.245 760 S C 1.223 175.894 174.600 0.119 0.000 1.019 760 S CA 0.486 58.699 58.200 0.021 0.000 0.996 760 S CB 0.425 63.617 63.200 -0.014 0.000 0.878 760 S HN 1.338 nan 8.310 nan 0.000 0.493 761 G N 1.143 110.128 108.800 0.307 0.000 2.171 761 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.238 761 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.238 761 G C 0.260 175.264 174.900 0.173 0.000 1.039 761 G CA -0.355 44.954 45.100 0.350 0.000 0.759 761 G HN 1.303 nan 8.290 nan 0.000 0.501 762 A N -0.586 122.308 122.820 0.123 0.000 2.566 762 A HA 0.614 4.934 4.320 -0.000 0.000 0.245 762 A C 2.176 179.800 177.584 0.067 0.000 1.056 762 A CA 2.212 54.297 52.037 0.080 0.000 0.757 762 A CB -0.050 18.989 19.000 0.065 0.000 0.979 762 A HN 2.495 nan 8.150 nan 0.000 0.508 763 G N 1.005 109.839 108.800 0.055 0.000 3.444 763 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.222 763 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.222 763 G C 1.378 176.303 174.900 0.042 0.000 1.358 763 G CA 1.198 46.323 45.100 0.042 0.000 0.880 763 G HN 2.101 nan 8.290 nan 0.000 0.555 764 V N -1.685 118.256 119.914 0.045 0.000 2.667 764 V HA 0.562 4.681 4.120 -0.000 0.000 0.252 764 V C 1.441 177.582 176.094 0.078 0.000 1.065 764 V CA 2.200 64.522 62.300 0.036 0.000 1.083 764 V CB 0.250 32.064 31.823 -0.015 0.000 0.692 764 V HN 1.011 nan 8.190 nan 0.000 0.468 765 L N 2.729 124.027 121.223 0.126 0.000 2.574 765 L HA 0.561 4.901 4.340 -0.000 0.000 0.258 765 L C -2.595 174.338 176.870 0.105 0.000 1.520 765 L CA -2.034 52.894 54.840 0.146 0.000 0.775 765 L CB 1.242 43.461 42.059 0.266 0.000 1.028 765 L HN 0.101 nan 8.230 nan 0.000 0.516 766 P HA 0.114 nan 4.420 nan 0.000 0.268 766 P C -0.587 176.739 177.300 0.044 0.000 1.205 766 P CA 0.049 63.181 63.100 0.053 0.000 0.771 766 P CB 0.736 32.461 31.700 0.042 0.000 0.858 767 N N 1.471 120.192 118.700 0.035 0.000 2.431 767 N HA 0.025 4.765 4.740 -0.000 0.000 0.289 767 N C 1.131 176.655 175.510 0.023 0.000 1.277 767 N CA -0.501 52.565 53.050 0.028 0.000 0.972 767 N CB -0.113 38.388 38.487 0.024 0.000 1.143 767 N HN 0.412 nan 8.380 nan 0.000 0.578 768 E N -0.402 119.810 120.200 0.020 0.000 2.418 768 E HA -0.082 4.268 4.350 -0.000 0.000 0.197 768 E C 0.967 177.575 176.600 0.012 0.000 1.026 768 E CA 0.952 57.362 56.400 0.016 0.000 0.862 768 E CB -0.353 29.357 29.700 0.015 0.000 0.799 768 E HN 0.700 nan 8.360 nan 0.000 0.518 769 L N 0.368 121.598 121.223 0.010 0.000 2.537 769 L HA 0.155 4.495 4.340 -0.000 0.000 0.224 769 L C 1.546 178.418 176.870 0.004 0.000 1.065 769 L CA 0.116 54.959 54.840 0.005 0.000 0.860 769 L CB 0.053 42.112 42.059 -0.001 0.000 1.086 769 L HN -0.053 nan 8.230 nan 0.000 0.482 770 T N 0.236 114.795 114.554 0.009 0.000 2.937 770 T HA 0.029 4.379 4.350 -0.000 0.000 0.316 770 T C 1.044 175.750 174.700 0.010 0.000 1.079 770 T CA 0.747 62.853 62.100 0.010 0.000 1.131 770 T CB 0.594 69.473 68.868 0.018 0.000 1.000 770 T HN 0.407 nan 8.240 nan 0.000 0.549 771 T N 2.485 117.044 114.554 0.008 0.000 3.170 771 T HA 0.330 4.680 4.350 -0.000 0.000 0.288 771 T C 0.599 175.305 174.700 0.010 0.000 0.992 771 T CA -0.486 61.618 62.100 0.007 0.000 0.909 771 T CB -0.293 68.576 68.868 0.002 0.000 1.133 771 T HN 0.485 nan 8.240 nan 0.000 0.530 772 L N 3.773 125.006 121.223 0.016 0.000 2.540 772 L HA 0.254 4.594 4.340 -0.000 0.000 0.276 772 L C 1.073 177.956 176.870 0.021 0.000 1.212 772 L CA -0.303 54.550 54.840 0.022 0.000 0.893 772 L CB 0.296 42.373 42.059 0.030 0.000 1.138 772 L HN 0.465 nan 8.230 nan 0.000 0.491 773 S N 1.064 116.776 115.700 0.020 0.000 2.669 773 S HA 0.172 4.642 4.470 -0.000 0.000 0.270 773 S C 0.640 175.255 174.600 0.024 0.000 1.225 773 S CA -0.938 57.273 58.200 0.018 0.000 0.991 773 S CB 1.409 64.616 63.200 0.012 0.000 0.987 773 S HN 0.583 nan 8.310 nan 0.000 0.552 774 D N 0.584 120.996 120.400 0.020 0.000 2.178 774 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 774 D C 1.323 177.640 176.300 0.027 0.000 0.980 774 D CA 1.540 55.553 54.000 0.021 0.000 0.842 774 D CB -0.404 40.405 40.800 0.015 0.000 0.948 774 D HN 0.839 nan 8.370 nan 0.000 0.472 775 D N 0.517 120.932 120.400 0.025 0.000 2.144 775 D HA -0.125 4.514 4.640 -0.000 0.000 0.200 775 D C 1.973 178.307 176.300 0.056 0.000 0.978 775 D CA 0.929 54.947 54.000 0.031 0.000 0.833 775 D CB 0.210 41.019 40.800 0.015 0.000 0.961 775 D HN 0.110 nan 8.370 nan 0.000 0.470 776 Q N -0.264 119.567 119.800 0.052 0.000 2.123 776 Q HA -0.021 4.318 4.340 -0.000 0.000 0.199 776 Q C 2.242 178.302 176.000 0.102 0.000 0.966 776 Q CA 1.146 56.998 55.803 0.081 0.000 0.845 776 Q CB -0.071 28.699 28.738 0.053 0.000 0.907 776 Q HN 0.357 nan 8.270 nan 0.000 0.439 777 A N 1.304 124.164 122.820 0.066 0.000 1.930 777 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 777 A C 1.961 179.573 177.584 0.047 0.000 1.175 777 A CA 1.081 53.150 52.037 0.053 0.000 0.627 777 A CB -0.278 18.746 19.000 0.039 0.000 0.815 777 A HN 0.182 nan 8.150 nan 0.000 0.443 778 R N -1.720 118.811 120.500 0.052 0.000 2.148 778 R HA -0.102 4.238 4.340 -0.000 0.000 0.223 778 R C 2.113 178.449 176.300 0.060 0.000 1.088 778 R CA 1.293 57.417 56.100 0.040 0.000 0.985 778 R CB -0.391 29.932 30.300 0.037 0.000 0.880 778 R HN 0.793 nan 8.270 nan 0.000 0.451 779 H N 0.993 120.067 119.070 0.006 0.000 2.395 779 H HA 0.021 4.577 4.556 -0.000 0.000 0.299 779 H C 1.766 177.105 175.328 0.017 0.000 1.070 779 H CA 1.291 57.346 56.048 0.012 0.000 1.356 779 H CB -0.060 29.714 29.762 0.020 0.000 1.401 779 H HN 0.048 nan 8.280 nan 0.000 0.524 780 L N -0.383 120.784 121.223 -0.094 0.000 2.141 780 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 780 L C 2.727 179.521 176.870 -0.127 0.000 1.094 780 L CA 0.918 55.680 54.840 -0.131 0.000 0.763 780 L CB -0.655 41.394 42.059 -0.017 0.000 0.908 780 L HN 0.413 nan 8.230 nan 0.000 0.437 781 A N -0.246 122.522 122.820 -0.087 0.000 1.969 781 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 781 A C 1.889 179.385 177.584 -0.146 0.000 1.169 781 A CA 1.638 53.622 52.037 -0.090 0.000 0.635 781 A CB -0.360 18.607 19.000 -0.055 0.000 0.810 781 A HN 0.306 nan 8.150 nan 0.000 0.445 782 D N 0.164 120.474 120.400 -0.150 0.000 2.117 782 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 782 D C 1.915 178.098 176.300 -0.195 0.000 0.987 782 D CA 1.014 54.919 54.000 -0.159 0.000 0.829 782 D CB -0.310 40.442 40.800 -0.080 0.000 0.961 782 D HN 0.439 nan 8.370 nan 0.000 0.460 783 L N 0.478 121.563 121.223 -0.231 0.000 2.093 783 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 783 L C 2.421 179.192 176.870 -0.164 0.000 1.085 783 L CA 1.055 55.780 54.840 -0.192 0.000 0.755 783 L CB -0.457 41.482 42.059 -0.201 0.000 0.904 783 L HN 0.032 nan 8.230 nan 0.000 0.435 784 T N -0.974 113.488 114.554 -0.152 0.000 2.812 784 T HA -0.129 4.221 4.350 -0.000 0.000 0.264 784 T C 2.046 176.655 174.700 -0.151 0.000 1.042 784 T CA 0.966 62.996 62.100 -0.117 0.000 1.140 784 T CB -0.103 68.720 68.868 -0.075 0.000 0.870 784 T HN 0.255 nan 8.240 nan 0.000 0.445 785 R N 0.337 120.677 120.500 -0.268 0.000 2.073 785 R HA -0.017 4.323 4.340 -0.000 0.000 0.234 785 R C 2.418 178.464 176.300 -0.423 0.000 1.134 785 R CA 1.060 56.843 56.100 -0.528 0.000 0.952 785 R CB -0.687 28.975 30.300 -1.063 0.000 0.850 785 R HN 0.220 nan 8.270 nan 0.000 0.433 786 L N 0.555 121.581 121.223 -0.329 0.000 2.079 786 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 786 L C 2.072 178.810 176.870 -0.220 0.000 1.081 786 L CA 2.162 56.855 54.840 -0.245 0.000 0.752 786 L CB -0.909 41.066 42.059 -0.140 0.000 0.896 786 L HN 0.207 nan 8.230 nan 0.000 0.433 787 G N -0.996 107.704 108.800 -0.166 0.000 2.408 787 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 787 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 787 G C 1.519 176.367 174.900 -0.086 0.000 1.150 787 G CA 0.826 45.850 45.100 -0.126 0.000 0.776 787 G HN 0.427 nan 8.290 nan 0.000 0.542 788 M N 0.777 120.355 119.600 -0.038 0.000 2.460 788 M HA 0.108 4.588 4.480 -0.000 0.000 0.263 788 M C 2.312 178.615 176.300 0.005 0.000 1.071 788 M CA 0.876 56.198 55.300 0.036 0.000 1.096 788 M CB 0.201 32.890 32.600 0.148 0.000 1.408 788 M HN 0.291 nan 8.290 nan 0.000 0.463 789 A N -0.410 122.349 122.820 -0.102 0.000 2.423 789 A HA 0.516 4.835 4.320 -0.000 0.000 0.246 789 A C 1.435 178.852 177.584 -0.277 0.000 1.278 789 A CA 0.460 52.317 52.037 -0.300 0.000 0.903 789 A CB -0.431 18.047 19.000 -0.870 0.000 0.997 789 A HN 0.591 nan 8.150 nan 0.000 0.510 790 G N -0.144 108.552 108.800 -0.174 0.000 2.157 790 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.239 790 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.239 790 G C 0.320 175.109 174.900 -0.185 0.000 0.982 790 G CA 0.395 45.409 45.100 -0.143 0.000 0.650 790 G HN 1.263 nan 8.290 nan 0.000 0.527 791 N N -0.978 117.590 118.700 -0.219 0.000 2.705 791 N HA -0.163 4.577 4.740 -0.000 0.000 0.255 791 N C 0.301 175.656 175.510 -0.259 0.000 1.008 791 N CA 1.306 54.200 53.050 -0.260 0.000 0.742 791 N CB -1.159 37.116 38.487 -0.354 0.000 0.906 791 N HN 0.827 nan 8.380 nan 0.000 0.541 792 L N -0.305 120.842 121.223 -0.127 0.000 2.371 792 L HA 0.432 4.772 4.340 -0.000 0.000 0.272 792 L C 1.780 178.672 176.870 0.038 0.000 1.124 792 L CA -0.071 54.752 54.840 -0.027 0.000 0.816 792 L CB 0.850 42.953 42.059 0.073 0.000 1.129 792 L HN 0.253 nan 8.230 nan 0.000 0.448 793 A N 1.269 124.118 122.820 0.049 0.000 1.969 793 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 793 A C 1.394 179.038 177.584 0.100 0.000 1.169 793 A CA 1.398 53.484 52.037 0.082 0.000 0.635 793 A CB -0.263 18.795 19.000 0.096 0.000 0.810 793 A HN 0.836 nan 8.150 nan 0.000 0.445 794 D N -1.949 118.515 120.400 0.107 0.000 2.349 794 D HA 0.164 4.804 4.640 -0.000 0.000 0.214 794 D C 0.082 176.448 176.300 0.111 0.000 1.063 794 D CA -0.261 53.795 54.000 0.094 0.000 0.847 794 D CB -0.171 40.671 40.800 0.069 0.000 0.933 794 D HN 0.399 nan 8.370 nan 0.000 0.513 795 F N 1.673 121.639 119.950 0.026 0.000 2.572 795 F HA 0.086 4.613 4.527 -0.000 0.000 0.370 795 F C 0.097 175.923 175.800 0.044 0.000 1.103 795 F CA -0.207 57.816 58.000 0.039 0.000 1.286 795 F CB 0.644 39.672 39.000 0.047 0.000 1.105 795 F HN -0.348 nan 8.300 nan 0.000 0.583 796 V N 7.462 127.005 119.914 -0.618 0.000 2.394 796 V HA 0.478 4.598 4.120 -0.000 0.000 0.282 796 V C -0.372 175.523 176.094 -0.331 0.000 1.031 796 V CA -0.590 61.506 62.300 -0.340 0.000 0.881 796 V CB 0.968 32.636 31.823 -0.258 0.000 0.982 796 V HN 0.711 nan 8.190 nan 0.000 0.451 797 L N 3.847 125.054 121.223 -0.027 0.000 2.397 797 L HA 0.762 5.102 4.340 -0.000 0.000 0.251 797 L C -0.930 175.970 176.870 0.051 0.000 1.064 797 L CA -0.922 53.968 54.840 0.083 0.000 0.859 797 L CB 1.421 43.618 42.059 0.229 0.000 1.468 797 L HN 0.228 nan 8.230 nan 0.000 0.411 798 I N 2.454 123.060 120.570 0.060 0.000 2.321 798 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 798 I C -0.241 175.894 176.117 0.029 0.000 0.998 798 I CA -0.072 61.251 61.300 0.038 0.000 1.227 798 I CB 0.679 38.702 38.000 0.039 0.000 1.368 798 I HN 0.915 nan 8.210 nan 0.000 0.466 799 D N 6.731 127.148 120.400 0.029 0.000 2.433 799 D HA 0.094 4.734 4.640 -0.000 0.000 0.255 799 D C 1.059 177.375 176.300 0.028 0.000 1.226 799 D CA -0.468 53.550 54.000 0.031 0.000 1.015 799 D CB 0.701 41.531 40.800 0.050 0.000 1.091 799 D HN 0.559 nan 8.370 nan 0.000 0.527 800 K N -0.738 119.684 120.400 0.038 0.000 2.218 800 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 800 K C 0.133 176.748 176.600 0.025 0.000 1.046 800 K CA 1.537 57.844 56.287 0.034 0.000 0.933 800 K CB -0.260 32.272 32.500 0.054 0.000 0.728 800 K HN 0.301 nan 8.250 nan 0.000 0.454 801 D N -0.134 120.281 120.400 0.025 0.000 2.363 801 D HA 0.091 4.731 4.640 -0.000 0.000 0.214 801 D C 0.863 177.171 176.300 0.013 0.000 1.093 801 D CA 0.730 54.740 54.000 0.016 0.000 0.837 801 D CB 0.959 41.767 40.800 0.014 0.000 0.948 801 D HN 0.525 nan 8.370 nan 0.000 0.507 802 G N 0.999 109.808 108.800 0.016 0.000 2.157 802 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 802 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 802 G C 0.527 175.435 174.900 0.013 0.000 0.979 802 G CA 0.151 45.259 45.100 0.013 0.000 0.650 802 G HN 0.588 nan 8.290 nan 0.000 0.529 803 A N -0.215 122.614 122.820 0.016 0.000 2.316 803 A HA 0.736 5.056 4.320 -0.000 0.000 0.284 803 A C 0.576 178.170 177.584 0.017 0.000 1.115 803 A CA 0.063 52.109 52.037 0.014 0.000 0.812 803 A CB 1.175 20.185 19.000 0.016 0.000 1.064 803 A HN 1.130 nan 8.150 nan 0.000 0.489 804 V N 3.797 123.718 119.914 0.011 0.000 2.455 804 V HA 0.292 4.412 4.120 -0.000 0.000 0.273 804 V C 0.070 176.173 176.094 0.014 0.000 1.045 804 V CA 0.012 62.316 62.300 0.007 0.000 0.976 804 V CB 0.415 32.237 31.823 -0.003 0.000 0.993 804 V HN 0.809 nan 8.190 nan 0.000 0.475 805 K N 4.719 125.132 120.400 0.021 0.000 2.464 805 K HA 0.572 4.892 4.320 -0.000 0.000 0.253 805 K C -0.587 176.037 176.600 0.040 0.000 0.933 805 K CA -0.836 55.471 56.287 0.034 0.000 0.801 805 K CB 2.888 35.419 32.500 0.050 0.000 1.271 805 K HN 0.538 nan 8.250 nan 0.000 0.430 806 R N -0.259 120.269 120.500 0.046 0.000 2.528 806 R HA 0.236 4.576 4.340 -0.000 0.000 0.271 806 R C 1.582 177.941 176.300 0.098 0.000 1.056 806 R CA -0.010 56.127 56.100 0.062 0.000 1.117 806 R CB 0.563 30.894 30.300 0.051 0.000 1.085 806 R HN 0.880 nan 8.270 nan 0.000 0.530 807 G N 0.343 109.226 108.800 0.139 0.000 2.469 807 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.220 807 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.220 807 G C 1.339 176.297 174.900 0.097 0.000 1.136 807 G CA 1.267 46.443 45.100 0.126 0.000 0.759 807 G HN 0.661 nan 8.290 nan 0.000 0.562 808 S N 0.184 115.942 115.700 0.097 0.000 2.507 808 S HA 0.005 4.475 4.470 -0.000 0.000 0.235 808 S C 1.750 176.409 174.600 0.098 0.000 0.988 808 S CA 1.348 59.609 58.200 0.102 0.000 0.944 808 S CB -0.093 63.164 63.200 0.095 0.000 0.762 808 S HN 0.611 nan 8.310 nan 0.000 0.526 809 E N 0.278 120.531 120.200 0.088 0.000 2.447 809 E HA 0.182 4.532 4.350 -0.000 0.000 0.195 809 E C -0.281 176.377 176.600 0.097 0.000 1.028 809 E CA -0.088 56.361 56.400 0.081 0.000 0.876 809 E CB 0.166 29.904 29.700 0.063 0.000 0.885 809 E HN 0.464 nan 8.360 nan 0.000 0.500 810 I N 2.501 123.139 120.570 0.114 0.000 2.396 810 I HA 0.074 4.244 4.170 -0.000 0.000 0.289 810 I C 0.201 176.436 176.117 0.196 0.000 1.056 810 I CA -0.430 60.961 61.300 0.151 0.000 1.365 810 I CB 0.341 38.410 38.000 0.114 0.000 1.407 810 I HN -0.071 nan 8.210 nan 0.000 0.509 811 D N 5.919 126.463 120.400 0.241 0.000 2.345 811 D HA 0.087 4.726 4.640 -0.000 0.000 0.247 811 D C -1.021 175.496 176.300 0.361 0.000 1.108 811 D CA 0.252 54.391 54.000 0.232 0.000 0.894 811 D CB 0.590 41.457 40.800 0.112 0.000 1.203 811 D HN 0.368 nan 8.370 nan 0.000 0.430 812 Y N 3.940 124.334 120.300 0.156 0.000 2.488 812 Y HA 0.269 4.819 4.550 -0.000 0.000 0.330 812 Y C -0.537 175.429 175.900 0.109 0.000 1.013 812 Y CA -1.068 57.121 58.100 0.149 0.000 1.304 812 Y CB -0.079 38.459 38.460 0.130 0.000 1.098 812 Y HN 0.481 nan 8.280 nan 0.000 0.498 813 N N 4.313 122.855 118.700 -0.264 0.000 2.714 813 N HA -0.219 4.521 4.740 -0.000 0.000 0.252 813 N C 1.051 176.472 175.510 -0.149 0.000 1.014 813 N CA 1.763 54.639 53.050 -0.291 0.000 0.735 813 N CB -1.181 36.988 38.487 -0.530 0.000 0.924 813 N HN 1.402 nan 8.380 nan 0.000 0.540 814 G N -2.678 106.089 108.800 -0.055 0.000 2.195 814 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.246 814 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.246 814 G C 0.142 175.059 174.900 0.028 0.000 0.984 814 G CA 0.720 45.808 45.100 -0.020 0.000 0.633 814 G HN 1.171 nan 8.290 nan 0.000 0.525 815 A N 0.659 123.524 122.820 0.074 0.000 2.354 815 A HA 0.901 5.221 4.320 -0.000 0.000 0.321 815 A C -2.489 175.205 177.584 0.183 0.000 1.125 815 A CA -1.418 50.697 52.037 0.131 0.000 0.799 815 A CB 1.589 20.692 19.000 0.171 0.000 1.293 815 A HN 0.186 nan 8.150 nan 0.000 0.452 816 P HA 0.076 nan 4.420 nan 0.000 0.267 816 P C 0.901 178.335 177.300 0.223 0.000 1.209 816 P CA 0.646 63.849 63.100 0.172 0.000 0.763 816 P CB 0.915 32.702 31.700 0.145 0.000 0.816 817 G N 3.977 112.899 108.800 0.203 0.000 2.552 817 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 817 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 817 G C 0.835 175.800 174.900 0.107 0.000 1.240 817 G CA 0.553 45.757 45.100 0.172 0.000 0.796 817 G HN 0.692 nan 8.290 nan 0.000 0.568 818 G N -0.659 108.177 108.800 0.060 0.000 2.378 818 G HA2 0.391 4.351 3.960 -0.000 0.000 0.255 818 G HA3 0.391 4.351 3.960 -0.000 0.000 0.255 818 G C 0.120 175.058 174.900 0.063 0.000 1.270 818 G CA 0.344 45.429 45.100 -0.024 0.000 0.876 818 G HN 0.654 nan 8.290 nan 0.000 0.521 819 Y N 0.094 120.427 120.300 0.056 0.000 2.476 819 Y HA 0.663 5.212 4.550 -0.000 0.000 0.261 819 Y C 0.948 176.877 175.900 0.048 0.000 1.077 819 Y CA -0.595 57.539 58.100 0.057 0.000 1.240 819 Y CB -0.414 38.083 38.460 0.062 0.000 1.317 819 Y HN 0.634 nan 8.280 nan 0.000 0.540 820 A N 1.145 123.944 122.820 -0.034 0.000 2.264 820 A HA 0.803 5.123 4.320 -0.000 0.000 0.304 820 A C 1.207 178.827 177.584 0.059 0.000 1.100 820 A CA 0.011 52.089 52.037 0.068 0.000 0.839 820 A CB 0.724 19.681 19.000 -0.072 0.000 1.121 820 A HN 0.657 nan 8.150 nan 0.000 0.496 821 A N -0.243 122.623 122.820 0.077 0.000 2.014 821 A HA 0.339 4.658 4.320 -0.000 0.000 0.210 821 A C 0.316 177.932 177.584 0.055 0.000 1.188 821 A CA 0.682 52.760 52.037 0.068 0.000 0.731 821 A CB 0.154 19.199 19.000 0.074 0.000 0.858 821 A HN 0.733 nan 8.150 nan 0.000 0.464 822 D N -1.306 119.122 120.400 0.047 0.000 2.732 822 D HA 0.289 4.929 4.640 -0.000 0.000 0.229 822 D C -2.252 174.054 176.300 0.010 0.000 1.152 822 D CA -1.224 52.797 54.000 0.035 0.000 0.854 822 D CB 1.973 42.800 40.800 0.046 0.000 1.590 822 D HN -0.118 nan 8.370 nan 0.000 0.468 823 P HA -0.131 nan 4.420 nan 0.000 0.225 823 P C 1.038 178.317 177.300 -0.036 0.000 1.148 823 P CA 1.148 64.227 63.100 -0.036 0.000 0.779 823 P CB -0.029 31.647 31.700 -0.039 0.000 0.780 824 T N -3.336 111.207 114.554 -0.019 0.000 3.160 824 T HA 0.045 4.394 4.350 -0.000 0.000 0.257 824 T C 1.337 176.061 174.700 0.040 0.000 1.147 824 T CA 0.505 62.586 62.100 -0.032 0.000 1.064 824 T CB -0.572 68.279 68.868 -0.029 0.000 0.949 824 T HN 0.246 nan 8.240 nan 0.000 0.526 825 E N 0.293 120.523 120.200 0.050 0.000 2.474 825 E HA 0.255 4.605 4.350 -0.000 0.000 0.195 825 E C -0.481 176.174 176.600 0.091 0.000 1.039 825 E CA -0.170 56.282 56.400 0.087 0.000 0.881 825 E CB 0.758 30.517 29.700 0.099 0.000 0.970 825 E HN 0.310 nan 8.360 nan 0.000 0.486 826 V N 1.475 121.404 119.914 0.024 0.000 2.540 826 V HA 0.242 4.362 4.120 -0.000 0.000 0.302 826 V C -0.433 175.635 176.094 -0.042 0.000 1.035 826 V CA -0.805 61.501 62.300 0.010 0.000 0.873 826 V CB 2.183 33.962 31.823 -0.075 0.000 0.992 826 V HN -0.190 nan 8.190 nan 0.000 0.428 827 V N 5.078 124.963 119.914 -0.048 0.000 2.304 827 V HA 0.419 4.539 4.120 -0.000 0.000 0.278 827 V C 0.032 176.206 176.094 0.134 0.000 1.018 827 V CA -0.827 61.407 62.300 -0.110 0.000 0.814 827 V CB 1.255 32.782 31.823 -0.493 0.000 1.021 827 V HN 0.816 nan 8.190 nan 0.000 0.440 828 N N 4.064 122.866 118.700 0.170 0.000 2.513 828 N HA 0.588 5.327 4.740 -0.000 0.000 0.274 828 N C -0.804 174.996 175.510 0.484 0.000 1.189 828 N CA -0.033 53.184 53.050 0.278 0.000 0.975 828 N CB 1.742 40.307 38.487 0.131 0.000 1.157 828 N HN 0.748 nan 8.380 nan 0.000 0.465 829 Y N -3.205 117.217 120.300 0.202 0.000 2.662 829 Y HA 0.370 4.920 4.550 -0.000 0.000 0.334 829 Y C -0.403 175.621 175.900 0.206 0.000 1.185 829 Y CA -1.159 57.106 58.100 0.274 0.000 1.074 829 Y CB 0.198 38.920 38.460 0.438 0.000 1.330 829 Y HN 0.106 nan 8.280 nan 0.000 0.458 830 V N -1.467 118.567 119.914 0.200 0.000 3.252 830 V HA 0.621 4.741 4.120 -0.000 0.000 0.320 830 V C -0.111 176.071 176.094 0.147 0.000 1.459 830 V CA 0.549 62.882 62.300 0.055 0.000 1.095 830 V CB 0.141 32.011 31.823 0.079 0.000 0.997 830 V HN 0.853 nan 8.190 nan 0.000 0.469 831 S N 0.270 116.167 115.700 0.329 0.000 2.556 831 S HA 0.681 5.151 4.470 -0.000 0.000 0.280 831 S C -1.213 173.678 174.600 0.485 0.000 1.141 831 S CA -0.558 57.837 58.200 0.324 0.000 0.883 831 S CB 2.331 65.676 63.200 0.241 0.000 1.103 831 S HN 0.656 nan 8.310 nan 0.000 0.453 832 K N 0.918 121.532 120.400 0.356 0.000 2.571 832 K HA 0.366 4.686 4.320 -0.000 0.000 0.289 832 K C 1.005 177.678 176.600 0.122 0.000 1.028 832 K CA -0.659 55.824 56.287 0.326 0.000 0.895 832 K CB 0.452 33.094 32.500 0.238 0.000 1.534 832 K HN 0.861 nan 8.250 nan 0.000 0.421 833 H N -0.456 118.632 119.070 0.029 0.000 2.421 833 H HA -0.021 4.534 4.556 -0.000 0.000 0.298 833 H C -0.450 174.847 175.328 -0.051 0.000 1.087 833 H CA 0.860 56.827 56.048 -0.136 0.000 1.330 833 H CB 0.096 29.520 29.762 -0.565 0.000 1.388 833 H HN 0.336 nan 8.280 nan 0.000 0.526 834 D N 2.134 122.140 120.400 -0.656 0.000 2.345 834 D HA 0.112 4.752 4.640 -0.000 0.000 0.247 834 D C 0.428 176.728 176.300 -0.001 0.000 1.108 834 D CA -0.012 53.839 54.000 -0.249 0.000 0.894 834 D CB 0.718 41.281 40.800 -0.395 0.000 1.203 834 D HN 0.315 nan 8.370 nan 0.000 0.430 835 N N 0.887 119.646 118.700 0.097 0.000 6.535 835 N HA -0.219 4.521 4.740 -0.000 0.000 0.409 835 N C -0.500 175.097 175.510 0.145 0.000 0.975 835 N CA 0.256 53.356 53.050 0.083 0.000 1.813 835 N CB -0.432 38.054 38.487 -0.001 0.000 0.751 835 N HN 0.407 nan 8.380 nan 0.000 0.467 836 Q N 0.824 120.716 119.800 0.153 0.000 2.361 836 Q HA 0.243 4.582 4.340 -0.000 0.000 0.276 836 Q C 0.731 176.831 176.000 0.167 0.000 1.022 836 Q CA 0.315 56.233 55.803 0.191 0.000 0.898 836 Q CB 0.292 29.189 28.738 0.265 0.000 1.246 836 Q HN 0.595 nan 8.270 nan 0.000 0.410 837 T N -0.784 113.867 114.554 0.163 0.000 2.802 837 T HA 0.027 4.377 4.350 -0.000 0.000 0.305 837 T C 0.966 175.759 174.700 0.154 0.000 1.053 837 T CA -0.671 61.524 62.100 0.158 0.000 1.058 837 T CB 0.438 69.397 68.868 0.152 0.000 0.988 837 T HN 0.551 nan 8.240 nan 0.000 0.539 838 L N 0.987 122.308 121.223 0.162 0.000 2.042 838 L HA 0.019 4.359 4.340 -0.000 0.000 0.210 838 L C 2.238 179.189 176.870 0.135 0.000 1.076 838 L CA 1.704 56.631 54.840 0.146 0.000 0.749 838 L CB -1.131 41.027 42.059 0.166 0.000 0.893 838 L HN 0.872 nan 8.230 nan 0.000 0.432 839 W N 0.453 121.750 121.300 -0.005 0.000 2.358 839 W HA -0.220 4.440 4.660 -0.000 0.000 0.303 839 W C 1.742 178.213 176.519 -0.080 0.000 1.208 839 W CA 1.683 58.989 57.345 -0.065 0.000 1.274 839 W CB -0.136 29.256 29.460 -0.113 0.000 1.138 839 W HN 0.278 nan 8.180 nan 0.000 0.515 840 D N 0.108 120.491 120.400 -0.027 0.000 2.178 840 D HA -0.190 4.450 4.640 -0.000 0.000 0.202 840 D C 2.275 178.560 176.300 -0.025 0.000 0.974 840 D CA 1.348 55.241 54.000 -0.178 0.000 0.841 840 D CB -0.445 40.284 40.800 -0.118 0.000 0.953 840 D HN 0.113 nan 8.370 nan 0.000 0.478 841 M N -0.081 119.563 119.600 0.073 0.000 2.156 841 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 841 M C 2.313 178.646 176.300 0.056 0.000 1.067 841 M CA 0.769 56.175 55.300 0.176 0.000 1.131 841 M CB -0.583 32.096 32.600 0.132 0.000 1.368 841 M HN 0.059 nan 8.290 nan 0.000 0.416 842 I N -0.272 120.220 120.570 -0.131 0.000 2.361 842 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 842 I C 2.255 178.184 176.117 -0.313 0.000 1.133 842 I CA 0.917 62.067 61.300 -0.250 0.000 1.413 842 I CB -0.305 37.451 38.000 -0.407 0.000 1.073 842 I HN 0.220 nan 8.210 nan 0.000 0.424 843 S N -0.334 115.114 115.700 -0.419 0.000 2.402 843 S HA -0.140 4.329 4.470 -0.000 0.000 0.229 843 S C 1.855 176.500 174.600 0.075 0.000 1.021 843 S CA 1.028 59.064 58.200 -0.273 0.000 0.974 843 S CB -0.233 62.793 63.200 -0.290 0.000 0.800 843 S HN 0.345 nan 8.310 nan 0.000 0.484 844 Y N 1.730 122.105 120.300 0.124 0.000 2.286 844 Y HA 0.088 4.637 4.550 -0.000 0.000 0.293 844 Y C 2.130 178.033 175.900 0.006 0.000 1.124 844 Y CA 0.621 58.770 58.100 0.082 0.000 1.178 844 Y CB -0.052 38.461 38.460 0.088 0.000 1.010 844 Y HN 0.195 nan 8.280 nan 0.000 0.536 845 K N -0.591 119.897 120.400 0.147 0.000 2.334 845 K HA 0.332 4.652 4.320 -0.000 0.000 0.195 845 K C 0.851 177.456 176.600 0.008 0.000 1.045 845 K CA 0.391 56.714 56.287 0.060 0.000 1.004 845 K CB 0.173 32.702 32.500 0.047 0.000 0.837 845 K HN 0.011 nan 8.250 nan 0.000 0.510 846 A N 2.024 124.817 122.820 -0.045 0.000 2.498 846 A HA 0.387 4.707 4.320 -0.000 0.000 0.239 846 A C 0.313 177.874 177.584 -0.038 0.000 1.068 846 A CA -0.140 51.848 52.037 -0.081 0.000 0.766 846 A CB -0.003 18.893 19.000 -0.173 0.000 1.003 846 A HN 0.332 nan 8.150 nan 0.000 0.497 847 A N 1.751 124.558 122.820 -0.023 0.000 2.483 847 A HA 0.267 4.587 4.320 -0.000 0.000 0.238 847 A C 1.053 178.633 177.584 -0.007 0.000 1.070 847 A CA 0.307 52.346 52.037 0.003 0.000 0.770 847 A CB -0.058 18.958 19.000 0.027 0.000 1.008 847 A HN 0.955 nan 8.150 nan 0.000 0.497 848 Q N 0.471 120.276 119.800 0.007 0.000 2.197 848 Q HA -0.209 4.131 4.340 -0.000 0.000 0.207 848 Q C 1.551 177.555 176.000 0.006 0.000 0.984 848 Q CA 1.768 57.576 55.803 0.008 0.000 0.869 848 Q CB -0.057 28.691 28.738 0.017 0.000 0.906 848 Q HN 0.954 nan 8.270 nan 0.000 0.426 849 E N 0.390 120.597 120.200 0.013 0.000 2.502 849 E HA 0.061 4.411 4.350 -0.000 0.000 0.194 849 E C -0.097 176.508 176.600 0.009 0.000 1.062 849 E CA 0.278 56.689 56.400 0.018 0.000 0.867 849 E CB 0.181 29.900 29.700 0.032 0.000 0.888 849 E HN 0.150 nan 8.360 nan 0.000 0.510 850 A N 3.033 125.843 122.820 -0.018 0.000 2.395 850 A HA 0.177 4.497 4.320 -0.000 0.000 0.286 850 A C -0.197 177.349 177.584 -0.063 0.000 1.193 850 A CA -0.463 51.537 52.037 -0.062 0.000 0.852 850 A CB -0.105 18.812 19.000 -0.138 0.000 1.118 850 A HN 0.327 nan 8.150 nan 0.000 0.524 851 D N 2.124 122.501 120.400 -0.037 0.000 2.393 851 D HA 0.080 4.719 4.640 -0.000 0.000 0.246 851 D C 1.075 177.362 176.300 -0.022 0.000 1.275 851 D CA -0.650 53.340 54.000 -0.018 0.000 0.979 851 D CB 0.249 41.053 40.800 0.007 0.000 1.101 851 D HN 0.209 nan 8.370 nan 0.000 0.505 852 L N -0.031 121.199 121.223 0.012 0.000 2.012 852 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 852 L C 1.675 178.581 176.870 0.059 0.000 1.073 852 L CA 2.287 57.157 54.840 0.051 0.000 0.748 852 L CB -1.205 40.881 42.059 0.046 0.000 0.891 852 L HN 0.687 nan 8.230 nan 0.000 0.431 853 D N -1.964 118.460 120.400 0.040 0.000 2.144 853 D HA -0.198 4.442 4.640 -0.000 0.000 0.199 853 D C 1.869 178.194 176.300 0.041 0.000 0.984 853 D CA 1.675 55.710 54.000 0.059 0.000 0.834 853 D CB 0.053 40.891 40.800 0.062 0.000 0.955 853 D HN 0.395 nan 8.370 nan 0.000 0.465 854 T N -0.511 114.023 114.554 -0.034 0.000 2.821 854 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 854 T C 1.928 176.463 174.700 -0.275 0.000 1.046 854 T CA 0.838 62.825 62.100 -0.189 0.000 1.139 854 T CB -0.117 68.599 68.868 -0.253 0.000 0.871 854 T HN 0.184 nan 8.240 nan 0.000 0.454 855 R N 0.389 120.799 120.500 -0.149 0.000 2.115 855 R HA 0.018 4.357 4.340 -0.000 0.000 0.230 855 R C 2.437 178.793 176.300 0.094 0.000 1.111 855 R CA 0.735 56.755 56.100 -0.133 0.000 0.976 855 R CB -0.507 29.700 30.300 -0.154 0.000 0.870 855 R HN 0.248 nan 8.270 nan 0.000 0.445 856 V N 1.099 121.131 119.914 0.196 0.000 2.358 856 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 856 V C 2.175 178.400 176.094 0.218 0.000 1.047 856 V CA 1.708 64.166 62.300 0.263 0.000 1.035 856 V CB -0.445 31.508 31.823 0.218 0.000 0.658 856 V HN 0.291 nan 8.190 nan 0.000 0.452 857 R N -0.648 119.923 120.500 0.118 0.000 2.148 857 R HA -0.031 4.309 4.340 -0.000 0.000 0.227 857 R C 2.276 178.568 176.300 -0.014 0.000 1.103 857 R CA 1.282 57.394 56.100 0.019 0.000 0.983 857 R CB -0.332 29.990 30.300 0.037 0.000 0.874 857 R HN 0.448 nan 8.270 nan 0.000 0.451 858 M N 0.189 119.715 119.600 -0.123 0.000 2.175 858 M HA -0.190 4.290 4.480 -0.000 0.000 0.264 858 M C 2.419 178.725 176.300 0.010 0.000 1.063 858 M CA 1.589 56.801 55.300 -0.146 0.000 1.119 858 M CB -0.109 32.281 32.600 -0.349 0.000 1.377 858 M HN 0.077 nan 8.290 nan 0.000 0.415 859 Q N 0.520 120.364 119.800 0.074 0.000 2.084 859 Q HA -0.134 4.205 4.340 -0.000 0.000 0.202 859 Q C 1.932 178.020 176.000 0.147 0.000 0.978 859 Q CA 2.188 58.082 55.803 0.153 0.000 0.844 859 Q CB -0.128 28.770 28.738 0.266 0.000 0.898 859 Q HN 0.487 nan 8.270 nan 0.000 0.426 860 A N -0.541 122.353 122.820 0.123 0.000 1.897 860 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 860 A C 2.249 179.844 177.584 0.019 0.000 1.181 860 A CA 1.326 53.404 52.037 0.068 0.000 0.620 860 A CB -0.707 18.236 19.000 -0.094 0.000 0.821 860 A HN 0.293 nan 8.150 nan 0.000 0.443 861 V N 0.058 119.991 119.914 0.032 0.000 2.343 861 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 861 V C 2.810 178.950 176.094 0.077 0.000 1.051 861 V CA 2.341 64.682 62.300 0.069 0.000 1.036 861 V CB -0.654 31.280 31.823 0.185 0.000 0.654 861 V HN 0.575 nan 8.190 nan 0.000 0.451 862 S N 0.040 115.793 115.700 0.088 0.000 2.356 862 S HA -0.119 4.351 4.470 -0.000 0.000 0.223 862 S C 1.863 176.508 174.600 0.075 0.000 1.032 862 S CA 1.481 59.731 58.200 0.083 0.000 1.005 862 S CB -0.349 62.903 63.200 0.086 0.000 0.867 862 S HN 0.475 nan 8.310 nan 0.000 0.449 863 L N 1.093 122.367 121.223 0.084 0.000 2.201 863 L HA -0.054 4.286 4.340 -0.000 0.000 0.212 863 L C 2.640 179.514 176.870 0.006 0.000 1.105 863 L CA 0.855 55.736 54.840 0.069 0.000 0.775 863 L CB -0.575 41.545 42.059 0.102 0.000 0.913 863 L HN 0.313 nan 8.230 nan 0.000 0.440 864 A N 0.174 122.993 122.820 -0.002 0.000 1.969 864 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 864 A C 2.452 180.034 177.584 -0.004 0.000 1.169 864 A CA 2.018 54.038 52.037 -0.028 0.000 0.635 864 A CB -0.891 18.094 19.000 -0.024 0.000 0.810 864 A HN 0.511 nan 8.150 nan 0.000 0.445 865 T N -2.801 111.766 114.554 0.023 0.000 2.881 865 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 865 T C 1.621 176.338 174.700 0.029 0.000 1.068 865 T CA 1.584 63.704 62.100 0.033 0.000 1.131 865 T CB -0.491 68.397 68.868 0.033 0.000 0.871 865 T HN 0.076 nan 8.240 nan 0.000 0.479 866 V N 1.122 121.054 119.914 0.029 0.000 2.374 866 V HA 0.030 4.149 4.120 -0.000 0.000 0.241 866 V C 2.801 178.895 176.094 0.000 0.000 1.034 866 V CA 1.163 63.487 62.300 0.041 0.000 1.037 866 V CB -0.462 31.415 31.823 0.090 0.000 0.682 866 V HN 0.339 nan 8.190 nan 0.000 0.463 867 M N -0.204 119.367 119.600 -0.048 0.000 2.213 867 M HA -0.040 4.440 4.480 -0.000 0.000 0.263 867 M C 1.820 178.036 176.300 -0.141 0.000 1.062 867 M CA 1.714 56.943 55.300 -0.118 0.000 1.105 867 M CB -0.900 31.582 32.600 -0.197 0.000 1.385 867 M HN 0.261 nan 8.290 nan 0.000 0.417 868 L N -0.845 120.321 121.223 -0.096 0.000 2.653 868 L HA 0.237 4.577 4.340 -0.000 0.000 0.231 868 L C 1.091 178.007 176.870 0.077 0.000 1.153 868 L CA -0.607 54.193 54.840 -0.067 0.000 0.933 868 L CB -0.575 41.469 42.059 -0.025 0.000 1.175 868 L HN 0.140 nan 8.230 nan 0.000 0.473 869 G N -1.109 107.714 108.800 0.039 0.000 2.477 869 G HA2 0.229 4.189 3.960 -0.000 0.000 0.304 869 G HA3 0.229 4.189 3.960 -0.000 0.000 0.304 869 G C 0.418 175.342 174.900 0.040 0.000 1.175 869 G CA -0.299 44.831 45.100 0.049 0.000 0.907 869 G HN -0.026 nan 8.290 nan 0.000 0.509 870 Q N 0.022 119.832 119.800 0.016 0.000 2.297 870 Q HA 0.018 4.358 4.340 -0.000 0.000 0.204 870 Q C 1.590 177.574 176.000 -0.026 0.000 0.962 870 Q CA 0.592 56.394 55.803 -0.002 0.000 0.879 870 Q CB -0.107 28.612 28.738 -0.031 0.000 0.947 870 Q HN 0.536 nan 8.270 nan 0.000 0.462 871 G N 0.701 109.480 108.800 -0.035 0.000 2.606 871 G HA2 0.342 4.302 3.960 -0.000 0.000 0.252 871 G HA3 0.342 4.302 3.960 -0.000 0.000 0.252 871 G C -0.041 174.828 174.900 -0.052 0.000 1.206 871 G CA -0.650 44.422 45.100 -0.047 0.000 0.861 871 G HN 0.123 nan 8.290 nan 0.000 0.561 872 I N 0.833 121.349 120.570 -0.090 0.000 2.710 872 I HA 0.171 4.341 4.170 -0.000 0.000 0.286 872 I C 1.057 177.143 176.117 -0.052 0.000 1.181 872 I CA 0.046 61.266 61.300 -0.133 0.000 1.430 872 I CB 0.902 38.750 38.000 -0.254 0.000 1.367 872 I HN 0.453 nan 8.210 nan 0.000 0.577 873 A N 7.513 130.312 122.820 -0.035 0.000 2.289 873 A HA 0.573 4.893 4.320 -0.000 0.000 0.298 873 A C -0.888 176.781 177.584 0.141 0.000 1.208 873 A CA -0.221 51.848 52.037 0.054 0.000 0.845 873 A CB 0.404 19.404 19.000 0.001 0.000 1.125 873 A HN 0.556 nan 8.150 nan 0.000 0.517 874 F N 2.031 122.032 119.950 0.085 0.000 2.565 874 F HA 0.694 5.221 4.527 -0.000 0.000 0.313 874 F C -0.943 174.996 175.800 0.232 0.000 1.091 874 F CA -0.660 57.426 58.000 0.143 0.000 0.915 874 F CB 2.103 41.198 39.000 0.159 0.000 1.208 874 F HN 0.605 nan 8.300 nan 0.000 0.453 875 D N 2.604 122.891 120.400 -0.189 0.000 2.623 875 D HA 0.173 4.812 4.640 -0.000 0.000 0.241 875 D C -1.802 174.360 176.300 -0.229 0.000 1.241 875 D CA -0.401 53.622 54.000 0.038 0.000 0.788 875 D CB 2.057 42.991 40.800 0.223 0.000 1.413 875 D HN 0.697 nan 8.370 nan 0.000 0.429 876 Q N 1.324 121.115 119.800 -0.015 0.000 2.293 876 Q HA 0.172 4.512 4.340 -0.000 0.000 0.251 876 Q C -0.349 175.501 176.000 -0.250 0.000 0.930 876 Q CA -0.500 55.254 55.803 -0.082 0.000 0.893 876 Q CB 0.992 29.778 28.738 0.080 0.000 1.215 876 Q HN 0.476 nan 8.270 nan 0.000 0.425 877 Q N 2.366 121.934 119.800 -0.388 0.000 2.262 877 Q HA 0.047 4.387 4.340 -0.000 0.000 0.298 877 Q C 0.296 176.202 176.000 -0.157 0.000 1.083 877 Q CA 1.396 56.900 55.803 -0.498 0.000 0.962 877 Q CB -0.107 28.517 28.738 -0.191 0.000 1.104 877 Q HN 1.024 nan 8.270 nan 0.000 0.376 878 G N 2.747 111.507 108.800 -0.067 0.000 2.195 878 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.224 878 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.224 878 G C 0.867 175.706 174.900 -0.101 0.000 0.990 878 G CA 0.304 45.351 45.100 -0.088 0.000 0.639 878 G HN 0.617 nan 8.290 nan 0.000 0.514 879 S N 0.962 116.621 115.700 -0.070 0.000 2.399 879 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 879 S C 2.118 176.673 174.600 -0.075 0.000 1.022 879 S CA 1.674 59.876 58.200 0.003 0.000 0.983 879 S CB -0.181 63.110 63.200 0.152 0.000 0.803 879 S HN 0.843 nan 8.310 nan 0.000 0.480 880 E N 1.386 121.377 120.200 -0.348 0.000 2.472 880 E HA -0.079 4.271 4.350 -0.000 0.000 0.200 880 E C 0.923 177.436 176.600 -0.144 0.000 1.046 880 E CA 0.708 56.875 56.400 -0.389 0.000 0.871 880 E CB -0.253 28.982 29.700 -0.775 0.000 0.806 880 E HN 0.476 nan 8.360 nan 0.000 0.533 881 L N 0.927 122.054 121.223 -0.160 0.000 3.066 881 L HA 0.289 4.629 4.340 -0.000 0.000 0.265 881 L C 0.305 177.013 176.870 -0.271 0.000 1.232 881 L CA -0.337 54.378 54.840 -0.209 0.000 1.031 881 L CB -0.014 41.878 42.059 -0.278 0.000 1.379 881 L HN -0.033 nan 8.230 nan 0.000 0.563 882 L N 0.149 121.244 121.223 -0.213 0.000 3.737 882 L HA -0.261 4.079 4.340 -0.000 0.000 0.418 882 L C 0.989 177.666 176.870 -0.321 0.000 1.216 882 L CA 0.262 54.922 54.840 -0.300 0.000 0.915 882 L CB -1.548 40.081 42.059 -0.716 0.000 1.834 882 L HN 0.482 nan 8.230 nan 0.000 0.943 883 R N 1.063 121.458 120.500 -0.175 0.000 2.481 883 R HA 0.156 4.496 4.340 -0.000 0.000 0.291 883 R C 0.439 176.717 176.300 -0.037 0.000 0.934 883 R CA 1.054 57.069 56.100 -0.143 0.000 1.116 883 R CB 0.581 30.827 30.300 -0.090 0.000 0.895 883 R HN 0.271 nan 8.270 nan 0.000 0.410 884 S N 2.531 118.190 115.700 -0.068 0.000 2.566 884 S HA 0.369 4.839 4.470 -0.000 0.000 0.298 884 S C -0.370 174.226 174.600 -0.008 0.000 1.083 884 S CA -0.865 57.360 58.200 0.042 0.000 0.978 884 S CB 1.524 64.808 63.200 0.140 0.000 1.073 884 S HN 0.728 nan 8.310 nan 0.000 0.491 885 K N 1.544 121.963 120.400 0.033 0.000 2.564 885 K HA 0.293 4.613 4.320 -0.000 0.000 0.205 885 K C 0.036 176.720 176.600 0.139 0.000 1.053 885 K CA -0.077 56.266 56.287 0.093 0.000 1.072 885 K CB 0.571 33.154 32.500 0.139 0.000 0.822 885 K HN 0.621 nan 8.250 nan 0.000 0.497 886 S N 0.327 116.018 115.700 -0.016 0.000 3.641 886 S HA -0.207 4.263 4.470 -0.000 0.000 0.346 886 S C 0.072 174.692 174.600 0.034 0.000 1.074 886 S CA 0.845 59.000 58.200 -0.075 0.000 1.026 886 S CB -1.152 62.183 63.200 0.225 0.000 0.908 886 S HN 0.591 nan 8.310 nan 0.000 0.479 887 F N -2.295 117.651 119.950 -0.008 0.000 2.656 887 F HA -0.221 4.306 4.527 -0.000 0.000 0.381 887 F C 0.821 176.650 175.800 0.049 0.000 0.603 887 F CA 1.040 59.020 58.000 -0.033 0.000 1.335 887 F CB -2.570 36.356 39.000 -0.122 0.000 1.836 887 F HN 0.360 nan 8.300 nan 0.000 0.290 888 T N 1.476 116.124 114.554 0.156 0.000 2.871 888 T HA 0.072 4.422 4.350 -0.000 0.000 0.296 888 T C 1.412 176.195 174.700 0.139 0.000 0.998 888 T CA 0.380 62.520 62.100 0.067 0.000 1.162 888 T CB 1.460 70.293 68.868 -0.059 0.000 0.947 888 T HN 0.373 nan 8.240 nan 0.000 0.536 889 R N 1.916 122.496 120.500 0.134 0.000 2.066 889 R HA -0.001 4.339 4.340 -0.000 0.000 0.224 889 R C 0.185 176.584 176.300 0.164 0.000 1.122 889 R CA 0.811 57.001 56.100 0.149 0.000 0.974 889 R CB 0.308 30.676 30.300 0.112 0.000 0.871 889 R HN 0.524 nan 8.270 nan 0.000 0.435 890 D N 0.402 120.883 120.400 0.134 0.000 2.432 890 D HA 0.051 4.691 4.640 -0.000 0.000 0.265 890 D C -0.386 175.950 176.300 0.061 0.000 1.160 890 D CA -0.210 53.897 54.000 0.178 0.000 0.911 890 D CB 1.416 42.301 40.800 0.141 0.000 1.052 890 D HN 0.185 nan 8.370 nan 0.000 0.508 891 S N 2.349 118.063 115.700 0.023 0.000 2.710 891 S HA -0.078 4.392 4.470 -0.000 0.000 0.224 891 S C 1.726 175.916 174.600 -0.683 0.000 0.948 891 S CA -0.430 57.664 58.200 -0.177 0.000 0.949 891 S CB -0.799 62.459 63.200 0.097 0.000 0.778 891 S HN 0.505 nan 8.310 nan 0.000 0.498 892 Y N 1.050 120.465 120.300 -1.476 0.000 2.241 892 Y HA -0.026 4.524 4.550 -0.000 0.000 0.286 892 Y C 1.283 176.840 175.900 -0.572 0.000 1.166 892 Y CA 1.572 58.626 58.100 -1.743 0.000 1.203 892 Y CB -0.667 37.187 38.460 -1.010 0.000 0.977 892 Y HN 0.408 nan 8.280 nan 0.000 0.529 893 D N -0.833 118.872 120.400 -1.157 0.000 2.599 893 D HA 0.177 4.817 4.640 -0.000 0.000 0.249 893 D C 0.466 176.511 176.300 -0.424 0.000 1.313 893 D CA 0.073 53.657 54.000 -0.693 0.000 0.815 893 D CB 0.015 40.236 40.800 -0.965 0.000 1.077 893 D HN 0.243 nan 8.370 nan 0.000 0.492 894 S N -0.290 115.175 115.700 -0.393 0.000 2.671 894 S HA 0.438 4.908 4.470 -0.000 0.000 0.220 894 S C 1.082 175.581 174.600 -0.169 0.000 0.951 894 S CA 0.192 58.265 58.200 -0.211 0.000 0.932 894 S CB 0.003 63.103 63.200 -0.166 0.000 0.777 894 S HN 0.606 nan 8.310 nan 0.000 0.508 895 G N 2.255 110.777 108.800 -0.463 0.000 2.740 895 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.250 895 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.250 895 G C 0.049 174.569 174.900 -0.633 0.000 1.358 895 G CA 0.064 44.835 45.100 -0.549 0.000 0.897 895 G HN 0.326 nan 8.290 nan 0.000 0.567 896 D N -0.958 119.346 120.400 -0.160 0.000 2.178 896 D HA -0.075 4.564 4.640 -0.000 0.000 0.201 896 D C 1.847 178.390 176.300 0.406 0.000 0.980 896 D CA 1.537 55.643 54.000 0.178 0.000 0.842 896 D CB -0.154 40.729 40.800 0.137 0.000 0.948 896 D HN 0.491 nan 8.370 nan 0.000 0.472 897 W N 0.569 121.920 121.300 0.085 0.000 2.353 897 W HA -0.230 4.430 4.660 -0.000 0.000 0.319 897 W C 1.544 177.882 176.519 -0.302 0.000 1.207 897 W CA 1.000 58.312 57.345 -0.055 0.000 1.291 897 W CB -0.523 28.758 29.460 -0.298 0.000 1.159 897 W HN -0.060 nan 8.180 nan 0.000 0.478 898 F N 0.459 120.452 119.950 0.071 0.000 2.615 898 F HA -0.018 4.508 4.527 -0.000 0.000 0.297 898 F C 1.556 177.283 175.800 -0.122 0.000 1.124 898 F CA 1.077 59.044 58.000 -0.054 0.000 1.451 898 F CB -0.742 38.270 39.000 0.020 0.000 1.103 898 F HN -0.142 nan 8.300 nan 0.000 0.569 899 N N -0.310 118.395 118.700 0.009 0.000 2.270 899 N HA 0.035 4.774 4.740 -0.000 0.000 0.198 899 N C 0.411 175.904 175.510 -0.028 0.000 1.117 899 N CA -0.252 52.810 53.050 0.020 0.000 0.845 899 N CB 0.127 38.623 38.487 0.014 0.000 0.980 899 N HN 0.010 nan 8.380 nan 0.000 0.486 900 R N 1.287 121.660 120.500 -0.211 0.000 2.538 900 R HA 0.078 4.417 4.340 -0.000 0.000 0.282 900 R C -1.035 174.974 176.300 -0.485 0.000 1.009 900 R CA 0.428 56.203 56.100 -0.543 0.000 1.063 900 R CB 0.320 29.843 30.300 -1.296 0.000 0.945 900 R HN -0.144 nan 8.270 nan 0.000 0.414 901 V N 4.794 124.452 119.914 -0.425 0.000 2.443 901 V HA 0.110 4.230 4.120 -0.000 0.000 0.293 901 V C -0.782 174.965 176.094 -0.578 0.000 1.021 901 V CA -0.747 61.267 62.300 -0.478 0.000 0.848 901 V CB 1.568 33.157 31.823 -0.390 0.000 0.998 901 V HN 0.791 nan 8.190 nan 0.000 0.424 902 D N 3.342 123.378 120.400 -0.607 0.000 2.456 902 D HA 0.239 4.879 4.640 -0.000 0.000 0.219 902 D C 0.379 176.398 176.300 -0.468 0.000 1.126 902 D CA -0.145 53.580 54.000 -0.458 0.000 0.890 902 D CB 0.600 41.157 40.800 -0.404 0.000 1.025 902 D HN 0.523 nan 8.370 nan 0.000 0.511 903 Y N 1.325 121.527 120.300 -0.164 0.000 2.578 903 Y HA -0.047 4.502 4.550 -0.000 0.000 0.297 903 Y C 2.318 178.141 175.900 -0.129 0.000 1.176 903 Y CA 0.414 58.399 58.100 -0.191 0.000 1.315 903 Y CB 0.181 38.543 38.460 -0.162 0.000 1.031 903 Y HN 0.397 nan 8.280 nan 0.000 0.524 904 S N -0.598 115.086 115.700 -0.026 0.000 2.548 904 S HA 0.038 4.508 4.470 -0.000 0.000 0.215 904 S C 0.836 175.394 174.600 -0.070 0.000 0.976 904 S CA 0.016 58.202 58.200 -0.023 0.000 0.908 904 S CB -0.488 62.701 63.200 -0.017 0.000 0.781 904 S HN 0.501 nan 8.310 nan 0.000 0.519 905 L N -0.402 120.743 121.223 -0.129 0.000 4.089 905 L HA -0.226 4.114 4.340 -0.000 0.000 0.408 905 L C 1.155 177.933 176.870 -0.154 0.000 1.184 905 L CA 0.382 55.130 54.840 -0.153 0.000 0.947 905 L CB -2.263 39.734 42.059 -0.104 0.000 2.066 905 L HN 0.305 nan 8.230 nan 0.000 0.851 906 Q N 0.642 120.345 119.800 -0.163 0.000 2.137 906 Q HA 0.042 4.382 4.340 -0.000 0.000 0.198 906 Q C 0.751 176.642 176.000 -0.182 0.000 0.960 906 Q CA 2.013 57.726 55.803 -0.150 0.000 0.847 906 Q CB 0.177 28.836 28.738 -0.132 0.000 0.915 906 Q HN 0.936 nan 8.270 nan 0.000 0.448 907 D N -2.060 118.197 120.400 -0.237 0.000 2.713 907 D HA 0.062 4.702 4.640 -0.000 0.000 0.306 907 D C -0.214 175.887 176.300 -0.331 0.000 1.299 907 D CA -0.658 53.184 54.000 -0.264 0.000 0.823 907 D CB -0.082 40.577 40.800 -0.234 0.000 1.353 907 D HN -0.136 nan 8.370 nan 0.000 0.447 908 N N 0.520 119.009 118.700 -0.352 0.000 2.235 908 N HA 0.096 4.835 4.740 -0.000 0.000 0.209 908 N C 0.066 175.373 175.510 -0.338 0.000 1.122 908 N CA -0.140 52.675 53.050 -0.391 0.000 0.845 908 N CB -0.276 37.898 38.487 -0.522 0.000 1.004 908 N HN 0.609 nan 8.380 nan 0.000 0.499 909 N N -1.049 117.443 118.700 -0.346 0.000 2.782 909 N HA -0.246 4.494 4.740 -0.000 0.000 0.251 909 N C -1.220 174.157 175.510 -0.221 0.000 1.101 909 N CA 0.400 53.225 53.050 -0.375 0.000 0.764 909 N CB -2.104 36.115 38.487 -0.447 0.000 1.122 909 N HN 0.630 nan 8.380 nan 0.000 0.561 910 Y N 1.591 121.730 120.300 -0.267 0.000 2.301 910 Y HA 0.345 4.895 4.550 -0.000 0.000 0.328 910 Y C 1.328 177.153 175.900 -0.125 0.000 1.242 910 Y CA 0.452 58.448 58.100 -0.174 0.000 1.323 910 Y CB 0.542 38.941 38.460 -0.102 0.000 1.266 910 Y HN 0.320 nan 8.280 nan 0.000 0.527 911 N N 2.779 121.118 118.700 -0.602 0.000 2.727 911 N HA -0.186 4.554 4.740 -0.000 0.000 0.251 911 N C -0.502 174.932 175.510 -0.128 0.000 1.040 911 N CA 0.488 53.341 53.050 -0.329 0.000 0.712 911 N CB -0.671 37.735 38.487 -0.136 0.000 0.912 911 N HN 0.564 nan 8.380 nan 0.000 0.545 912 V N -1.485 118.367 119.914 -0.103 0.000 3.121 912 V HA 0.695 4.815 4.120 -0.000 0.000 0.344 912 V C 0.868 177.079 176.094 0.195 0.000 1.390 912 V CA 0.479 62.767 62.300 -0.019 0.000 1.177 912 V CB 0.500 32.132 31.823 -0.317 0.000 1.163 912 V HN 0.633 nan 8.190 nan 0.000 0.484 913 G N 0.247 109.139 108.800 0.154 0.000 2.465 913 G HA2 0.140 4.100 3.960 -0.000 0.000 0.681 913 G HA3 0.140 4.100 3.960 -0.000 0.000 0.681 913 G C -0.852 174.202 174.900 0.257 0.000 1.340 913 G CA -0.905 44.316 45.100 0.203 0.000 0.884 913 G HN 0.147 nan 8.290 nan 0.000 0.650 914 M N 2.052 121.715 119.600 0.105 0.000 2.249 914 M HA 0.237 4.717 4.480 -0.000 0.000 0.340 914 M C -1.421 174.955 176.300 0.127 0.000 1.166 914 M CA -1.746 53.545 55.300 -0.015 0.000 1.115 914 M CB -0.168 32.188 32.600 -0.408 0.000 1.606 914 M HN 0.510 nan 8.290 nan 0.000 0.448 915 P HA 0.136 nan 4.420 nan 0.000 0.274 915 P C -0.786 176.493 177.300 -0.034 0.000 1.256 915 P CA -0.532 62.479 63.100 -0.149 0.000 0.795 915 P CB 0.233 31.911 31.700 -0.038 0.000 1.038 916 R N 0.180 120.538 120.500 -0.238 0.000 2.486 916 R HA -0.016 4.324 4.340 -0.000 0.000 0.304 916 R C 1.065 177.357 176.300 -0.012 0.000 0.913 916 R CA 0.419 56.453 56.100 -0.109 0.000 1.124 916 R CB -0.984 29.218 30.300 -0.163 0.000 0.891 916 R HN 0.483 nan 8.270 nan 0.000 0.410 917 S N 2.128 117.841 115.700 0.021 0.000 2.402 917 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 917 S C 1.919 176.427 174.600 -0.154 0.000 1.021 917 S CA 0.813 58.944 58.200 -0.115 0.000 0.974 917 S CB -0.250 62.928 63.200 -0.037 0.000 0.800 917 S HN 0.827 nan 8.310 nan 0.000 0.484 918 S N 1.480 117.133 115.700 -0.079 0.000 2.400 918 S HA -0.160 4.310 4.470 -0.000 0.000 0.232 918 S C 1.457 176.017 174.600 -0.066 0.000 1.025 918 S CA 1.526 59.688 58.200 -0.064 0.000 0.993 918 S CB -0.589 62.592 63.200 -0.032 0.000 0.808 918 S HN 0.645 nan 8.310 nan 0.000 0.478 919 D N -0.145 120.218 120.400 -0.063 0.000 2.479 919 D HA 0.158 4.798 4.640 -0.000 0.000 0.221 919 D C 0.767 177.035 176.300 -0.054 0.000 1.104 919 D CA 0.177 54.151 54.000 -0.043 0.000 0.849 919 D CB 0.365 41.161 40.800 -0.006 0.000 1.072 919 D HN 0.192 nan 8.370 nan 0.000 0.502 920 D N -0.863 119.488 120.400 -0.081 0.000 2.469 920 D HA 0.170 4.810 4.640 -0.000 0.000 0.213 920 D C 1.831 177.980 176.300 -0.251 0.000 1.135 920 D CA 0.160 54.126 54.000 -0.057 0.000 0.834 920 D CB 0.792 41.638 40.800 0.076 0.000 1.009 920 D HN 0.257 nan 8.370 nan 0.000 0.507 921 G N 1.358 109.866 108.800 -0.488 0.000 2.475 921 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 921 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 921 G C 1.664 176.243 174.900 -0.534 0.000 1.125 921 G CA 1.417 45.952 45.100 -0.941 0.000 0.755 921 G HN 0.355 nan 8.290 nan 0.000 0.565 922 S N 0.452 115.997 115.700 -0.258 0.000 2.515 922 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 922 S C 1.627 176.180 174.600 -0.079 0.000 0.987 922 S CA 0.883 59.001 58.200 -0.137 0.000 0.936 922 S CB -0.095 63.048 63.200 -0.095 0.000 0.766 922 S HN 0.341 nan 8.310 nan 0.000 0.528 923 N N 0.101 118.769 118.700 -0.052 0.000 2.236 923 N HA 0.222 4.962 4.740 -0.000 0.000 0.196 923 N C 0.739 176.343 175.510 0.156 0.000 1.114 923 N CA -0.025 53.042 53.050 0.029 0.000 0.859 923 N CB -0.262 38.256 38.487 0.052 0.000 0.982 923 N HN 0.569 nan 8.380 nan 0.000 0.493 924 Y N 1.147 121.431 120.300 -0.025 0.000 2.165 924 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 924 Y C 2.186 178.065 175.900 -0.034 0.000 1.155 924 Y CA 0.870 58.953 58.100 -0.027 0.000 1.164 924 Y CB 0.155 38.608 38.460 -0.013 0.000 0.978 924 Y HN 0.098 nan 8.280 nan 0.000 0.513 925 D N 0.351 120.833 120.400 0.137 0.000 2.097 925 D HA -0.201 4.438 4.640 -0.000 0.000 0.195 925 D C 1.878 178.193 176.300 0.025 0.000 0.989 925 D CA 1.059 55.095 54.000 0.060 0.000 0.827 925 D CB -0.175 40.647 40.800 0.037 0.000 0.966 925 D HN 0.200 nan 8.370 nan 0.000 0.456 926 I N 0.133 120.712 120.570 0.015 0.000 2.353 926 I HA -0.068 4.102 4.170 -0.000 0.000 0.248 926 I C 1.871 177.985 176.117 -0.004 0.000 1.119 926 I CA 0.891 62.192 61.300 0.001 0.000 1.417 926 I CB -0.179 37.796 38.000 -0.041 0.000 1.078 926 I HN 0.167 nan 8.210 nan 0.000 0.421 927 I N 0.522 121.066 120.570 -0.044 0.000 2.179 927 I HA -0.312 3.858 4.170 -0.000 0.000 0.242 927 I C 2.566 178.588 176.117 -0.158 0.000 1.088 927 I CA 1.445 62.577 61.300 -0.279 0.000 1.357 927 I CB -0.655 37.149 38.000 -0.327 0.000 1.051 927 I HN 0.274 nan 8.210 nan 0.000 0.409 928 A N 0.506 123.283 122.820 -0.072 0.000 1.972 928 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 928 A C 2.363 179.943 177.584 -0.006 0.000 1.169 928 A CA 1.456 53.471 52.037 -0.036 0.000 0.635 928 A CB -0.536 18.449 19.000 -0.024 0.000 0.810 928 A HN 0.343 nan 8.150 nan 0.000 0.446 929 R N -0.828 119.671 120.500 -0.002 0.000 2.153 929 R HA -0.039 4.301 4.340 -0.000 0.000 0.218 929 R C 1.906 178.225 176.300 0.032 0.000 1.072 929 R CA 1.482 57.592 56.100 0.015 0.000 0.990 929 R CB -0.148 30.161 30.300 0.015 0.000 0.889 929 R HN 0.608 nan 8.270 nan 0.000 0.452 930 V N -2.612 117.323 119.914 0.035 0.000 3.523 930 V HA 0.106 4.226 4.120 -0.000 0.000 0.255 930 V C 1.974 178.155 176.094 0.144 0.000 1.226 930 V CA 0.379 62.725 62.300 0.076 0.000 1.092 930 V CB 0.005 31.887 31.823 0.098 0.000 0.817 930 V HN 0.016 nan 8.190 nan 0.000 0.458 931 K N 1.063 121.555 120.400 0.152 0.000 2.059 931 K HA -0.242 4.077 4.320 -0.000 0.000 0.212 931 K C 1.171 177.957 176.600 0.309 0.000 1.050 931 K CA 2.462 58.935 56.287 0.310 0.000 0.927 931 K CB -0.230 32.386 32.500 0.192 0.000 0.714 931 K HN 0.601 nan 8.250 nan 0.000 0.447 932 D N -0.329 120.178 120.400 0.179 0.000 2.395 932 D HA 0.096 4.736 4.640 -0.000 0.000 0.226 932 D C 1.034 177.400 176.300 0.111 0.000 1.146 932 D CA 0.371 54.462 54.000 0.152 0.000 0.830 932 D CB 0.632 41.492 40.800 0.100 0.000 0.958 932 D HN 0.309 nan 8.370 nan 0.000 0.501 933 A N 0.572 123.455 122.820 0.105 0.000 1.892 933 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 933 A C 1.362 178.975 177.584 0.048 0.000 1.188 933 A CA 1.660 53.733 52.037 0.061 0.000 0.631 933 A CB -0.203 18.821 19.000 0.041 0.000 0.822 933 A HN 0.245 nan 8.150 nan 0.000 0.447 934 V N -5.802 114.145 119.914 0.054 0.000 3.156 934 V HA 0.867 4.986 4.120 -0.000 0.000 0.311 934 V C 0.225 176.356 176.094 0.063 0.000 1.208 934 V CA -1.073 61.253 62.300 0.043 0.000 1.063 934 V CB 0.883 32.721 31.823 0.024 0.000 1.098 934 V HN 0.901 nan 8.190 nan 0.000 0.452 935 A N 0.205 123.053 122.820 0.046 0.000 2.386 935 A HA 0.592 4.912 4.320 -0.000 0.000 0.246 935 A C 0.524 178.129 177.584 0.034 0.000 1.089 935 A CA 0.174 52.236 52.037 0.042 0.000 0.790 935 A CB -0.259 18.751 19.000 0.016 0.000 1.042 935 A HN 1.065 nan 8.150 nan 0.000 0.497 936 T N 2.991 117.563 114.554 0.031 0.000 2.832 936 T HA 0.434 4.784 4.350 -0.000 0.000 0.296 936 T C -2.312 172.318 174.700 -0.115 0.000 0.968 936 T CA -0.382 61.712 62.100 -0.010 0.000 1.107 936 T CB 0.489 69.396 68.868 0.065 0.000 0.916 936 T HN 0.456 nan 8.240 nan 0.000 0.517 937 P HA 0.262 nan 4.420 nan 0.000 0.265 937 P C 0.183 177.340 177.300 -0.238 0.000 1.187 937 P CA 0.125 63.041 63.100 -0.307 0.000 0.766 937 P CB 0.475 31.827 31.700 -0.580 0.000 0.820 938 G N 0.911 109.598 108.800 -0.188 0.000 3.209 938 G HA2 0.186 4.146 3.960 -0.000 0.000 0.236 938 G HA3 0.186 4.146 3.960 -0.000 0.000 0.236 938 G C 0.608 175.414 174.900 -0.157 0.000 1.329 938 G CA -0.391 44.615 45.100 -0.156 0.000 1.015 938 G HN 0.454 nan 8.290 nan 0.000 0.571 939 E N -1.004 119.121 120.200 -0.127 0.000 2.097 939 E HA -0.172 4.177 4.350 -0.000 0.000 0.196 939 E C 2.273 178.807 176.600 -0.111 0.000 1.000 939 E CA 1.980 58.311 56.400 -0.115 0.000 0.804 939 E CB -0.148 29.500 29.700 -0.088 0.000 0.740 939 E HN 0.419 nan 8.360 nan 0.000 0.454 940 T N 0.564 115.058 114.554 -0.100 0.000 2.746 940 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 940 T C 1.511 176.138 174.700 -0.121 0.000 1.039 940 T CA 1.643 63.685 62.100 -0.096 0.000 1.142 940 T CB -0.203 68.620 68.868 -0.076 0.000 0.866 940 T HN 0.212 nan 8.240 nan 0.000 0.444 941 E N 0.938 121.056 120.200 -0.136 0.000 2.106 941 E HA 0.065 4.415 4.350 -0.000 0.000 0.192 941 E C 2.188 178.678 176.600 -0.184 0.000 0.984 941 E CA 0.554 56.859 56.400 -0.158 0.000 0.806 941 E CB -0.428 29.160 29.700 -0.186 0.000 0.750 941 E HN 0.391 nan 8.360 nan 0.000 0.458 942 L N 0.544 121.651 121.223 -0.193 0.000 2.046 942 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 942 L C 2.163 178.951 176.870 -0.137 0.000 1.077 942 L CA 1.279 56.008 54.840 -0.185 0.000 0.747 942 L CB -0.382 41.561 42.059 -0.195 0.000 0.896 942 L HN 0.101 nan 8.230 nan 0.000 0.432 943 K N -0.243 120.081 120.400 -0.128 0.000 2.097 943 K HA -0.223 4.097 4.320 -0.000 0.000 0.205 943 K C 2.116 178.615 176.600 -0.169 0.000 1.050 943 K CA 1.161 57.381 56.287 -0.111 0.000 0.938 943 K CB -0.092 32.351 32.500 -0.095 0.000 0.718 943 K HN 0.320 nan 8.250 nan 0.000 0.442 944 Q N 0.711 120.372 119.800 -0.231 0.000 2.050 944 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 944 Q C 2.166 177.840 176.000 -0.543 0.000 0.980 944 Q CA 1.509 57.057 55.803 -0.425 0.000 0.840 944 Q CB -0.023 28.484 28.738 -0.385 0.000 0.898 944 Q HN 0.138 nan 8.270 nan 0.000 0.424 945 M N 0.104 119.554 119.600 -0.250 0.000 2.132 945 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 945 M C 1.906 178.235 176.300 0.047 0.000 1.065 945 M CA 1.897 57.182 55.300 -0.025 0.000 1.122 945 M CB -0.485 32.122 32.600 0.012 0.000 1.365 945 M HN 0.131 nan 8.290 nan 0.000 0.411 946 T N 0.549 115.093 114.554 -0.016 0.000 2.788 946 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 946 T C 1.784 176.519 174.700 0.059 0.000 1.044 946 T CA 1.496 63.618 62.100 0.037 0.000 1.139 946 T CB -0.611 68.274 68.868 0.028 0.000 0.867 946 T HN 0.551 nan 8.240 nan 0.000 0.454 947 A N 1.147 123.944 122.820 -0.039 0.000 1.877 947 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 947 A C 1.931 179.582 177.584 0.111 0.000 1.186 947 A CA 1.245 53.263 52.037 -0.031 0.000 0.620 947 A CB -0.907 17.999 19.000 -0.157 0.000 0.822 947 A HN 0.404 nan 8.150 nan 0.000 0.443 948 F N -1.473 118.521 119.950 0.073 0.000 2.095 948 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 948 F C 2.239 178.094 175.800 0.092 0.000 1.104 948 F CA 0.924 58.968 58.000 0.074 0.000 1.232 948 F CB -1.439 37.613 39.000 0.086 0.000 0.987 948 F HN 0.414 nan 8.300 nan 0.000 0.475 949 Y N 0.990 121.417 120.300 0.213 0.000 2.145 949 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 949 Y C 2.474 178.408 175.900 0.055 0.000 1.145 949 Y CA 1.990 60.159 58.100 0.116 0.000 1.148 949 Y CB -0.484 38.037 38.460 0.101 0.000 0.981 949 Y HN 0.136 nan 8.280 nan 0.000 0.507 950 Q N -0.419 119.522 119.800 0.236 0.000 2.291 950 Q HA -0.208 4.132 4.340 -0.000 0.000 0.205 950 Q C 2.091 178.110 176.000 0.031 0.000 0.970 950 Q CA 1.433 57.300 55.803 0.106 0.000 0.876 950 Q CB -0.122 28.657 28.738 0.069 0.000 0.935 950 Q HN 0.641 nan 8.270 nan 0.000 0.455 951 E N 1.158 121.393 120.200 0.058 0.000 2.072 951 E HA -0.163 4.186 4.350 -0.000 0.000 0.191 951 E C 1.924 178.498 176.600 -0.044 0.000 0.985 951 E CA 0.542 56.959 56.400 0.028 0.000 0.801 951 E CB 0.031 29.786 29.700 0.091 0.000 0.750 951 E HN 0.298 nan 8.360 nan 0.000 0.452 952 L N 0.850 122.029 121.223 -0.074 0.000 2.017 952 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 952 L C 2.966 179.701 176.870 -0.226 0.000 1.073 952 L CA 1.833 56.572 54.840 -0.168 0.000 0.745 952 L CB -0.834 41.102 42.059 -0.205 0.000 0.894 952 L HN 0.381 nan 8.230 nan 0.000 0.432 953 T N -2.771 111.649 114.554 -0.223 0.000 2.867 953 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 953 T C 1.886 176.496 174.700 -0.149 0.000 1.057 953 T CA 0.859 62.841 62.100 -0.197 0.000 1.136 953 T CB -0.271 68.506 68.868 -0.151 0.000 0.874 953 T HN 0.302 nan 8.240 nan 0.000 0.466 954 A N 1.434 124.187 122.820 -0.112 0.000 1.929 954 A HA 0.264 4.584 4.320 -0.000 0.000 0.216 954 A C 2.392 179.903 177.584 -0.121 0.000 1.176 954 A CA 0.956 52.943 52.037 -0.083 0.000 0.628 954 A CB -0.785 18.188 19.000 -0.046 0.000 0.816 954 A HN 0.527 nan 8.150 nan 0.000 0.444 955 L N -1.055 120.058 121.223 -0.184 0.000 2.093 955 L HA -0.132 4.207 4.340 -0.000 0.000 0.208 955 L C 2.741 179.267 176.870 -0.574 0.000 1.085 955 L CA 1.492 56.163 54.840 -0.282 0.000 0.755 955 L CB -0.418 41.465 42.059 -0.292 0.000 0.904 955 L HN 0.448 nan 8.230 nan 0.000 0.435 956 R N 1.552 121.719 120.500 -0.555 0.000 2.105 956 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 956 R C 1.966 178.113 176.300 -0.255 0.000 1.135 956 R CA 1.897 57.650 56.100 -0.578 0.000 0.967 956 R CB -0.027 30.077 30.300 -0.327 0.000 0.861 956 R HN 0.424 nan 8.270 nan 0.000 0.442 957 K N -0.301 120.018 120.400 -0.135 0.000 2.374 957 K HA 0.083 4.403 4.320 -0.000 0.000 0.196 957 K C 1.245 177.866 176.600 0.035 0.000 1.023 957 K CA 0.698 56.975 56.287 -0.017 0.000 1.103 957 K CB 0.598 33.092 32.500 -0.011 0.000 0.848 957 K HN 0.072 nan 8.250 nan 0.000 0.528 958 S N -0.284 115.442 115.700 0.043 0.000 2.522 958 S HA -0.006 4.464 4.470 -0.000 0.000 0.227 958 S C 0.546 175.236 174.600 0.150 0.000 0.986 958 S CA 0.021 58.275 58.200 0.089 0.000 0.929 958 S CB -0.022 63.228 63.200 0.084 0.000 0.769 958 S HN 0.273 nan 8.310 nan 0.000 0.529 959 S N 0.814 116.658 115.700 0.239 0.000 2.535 959 S HA 0.479 4.949 4.470 -0.000 0.000 0.272 959 S C -2.665 172.024 174.600 0.148 0.000 1.149 959 S CA -1.077 57.220 58.200 0.162 0.000 0.888 959 S CB 1.825 65.082 63.200 0.096 0.000 1.110 959 S HN 0.007 nan 8.310 nan 0.000 0.463 960 P HA 0.052 nan 4.420 nan 0.000 0.230 960 P C 1.352 178.649 177.300 -0.004 0.000 1.158 960 P CA 0.478 63.599 63.100 0.035 0.000 0.769 960 P CB 0.008 31.715 31.700 0.011 0.000 0.807 961 L N -2.142 119.027 121.223 -0.091 0.000 2.275 961 L HA -0.066 4.273 4.340 -0.000 0.000 0.215 961 L C 2.220 178.957 176.870 -0.222 0.000 1.119 961 L CA 1.054 55.775 54.840 -0.199 0.000 0.790 961 L CB -0.850 41.013 42.059 -0.327 0.000 0.919 961 L HN -0.127 nan 8.230 nan 0.000 0.443 962 F N -0.319 119.608 119.950 -0.039 0.000 2.456 962 F HA -0.067 4.459 4.527 -0.000 0.000 0.298 962 F C 1.625 177.398 175.800 -0.045 0.000 1.104 962 F CA 0.819 58.792 58.000 -0.045 0.000 1.435 962 F CB -0.245 38.729 39.000 -0.043 0.000 1.078 962 F HN 0.047 nan 8.300 nan 0.000 0.546 963 T N -2.735 111.894 114.554 0.125 0.000 3.630 963 T HA 0.316 4.666 4.350 -0.000 0.000 0.238 963 T C 1.019 175.731 174.700 0.019 0.000 1.195 963 T CA -0.201 61.932 62.100 0.056 0.000 1.433 963 T CB -0.679 68.218 68.868 0.047 0.000 0.940 963 T HN 0.078 nan 8.240 nan 0.000 0.641 964 L N 0.992 122.219 121.223 0.005 0.000 2.129 964 L HA 0.054 4.394 4.340 -0.000 0.000 0.212 964 L C 2.620 179.491 176.870 0.001 0.000 1.087 964 L CA 1.728 56.567 54.840 -0.002 0.000 0.757 964 L CB -0.944 41.110 42.059 -0.008 0.000 0.896 964 L HN 0.811 nan 8.230 nan 0.000 0.434 965 G N -0.814 107.985 108.800 -0.003 0.000 2.779 965 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.230 965 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.230 965 G C 0.339 175.244 174.900 0.009 0.000 1.243 965 G CA 0.419 45.517 45.100 -0.004 0.000 0.769 965 G HN 0.437 nan 8.290 nan 0.000 0.516 966 D N 1.815 122.225 120.400 0.017 0.000 2.225 966 D HA 0.457 5.096 4.640 -0.000 0.000 0.248 966 D C 1.682 178.003 176.300 0.034 0.000 1.096 966 D CA 0.503 54.520 54.000 0.027 0.000 0.863 966 D CB 0.996 41.812 40.800 0.026 0.000 1.156 966 D HN 0.260 nan 8.370 nan 0.000 0.450 967 G N 3.253 112.078 108.800 0.042 0.000 2.446 967 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.217 967 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.217 967 G C 1.409 176.351 174.900 0.071 0.000 1.168 967 G CA 1.125 46.260 45.100 0.058 0.000 0.771 967 G HN 0.618 nan 8.290 nan 0.000 0.551 968 A N 0.074 122.927 122.820 0.054 0.000 1.933 968 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 968 A C 2.521 180.131 177.584 0.044 0.000 1.175 968 A CA 2.441 54.506 52.037 0.047 0.000 0.628 968 A CB -0.795 18.226 19.000 0.034 0.000 0.814 968 A HN 0.316 nan 8.150 nan 0.000 0.444 969 T N -0.589 113.988 114.554 0.038 0.000 2.857 969 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 969 T C 1.864 176.590 174.700 0.042 0.000 1.048 969 T CA 1.333 63.450 62.100 0.029 0.000 1.139 969 T CB -0.316 68.562 68.868 0.017 0.000 0.874 969 T HN 0.156 nan 8.240 nan 0.000 0.455 970 V N 1.704 121.656 119.914 0.064 0.000 2.295 970 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 970 V C 2.466 178.672 176.094 0.186 0.000 1.049 970 V CA 1.722 64.081 62.300 0.098 0.000 1.024 970 V CB -0.581 31.298 31.823 0.093 0.000 0.648 970 V HN 0.491 nan 8.190 nan 0.000 0.447 971 M N -0.839 118.872 119.600 0.184 0.000 2.213 971 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 971 M C 2.097 178.420 176.300 0.039 0.000 1.062 971 M CA 1.717 57.097 55.300 0.133 0.000 1.105 971 M CB -0.367 32.274 32.600 0.067 0.000 1.385 971 M HN 0.211 nan 8.290 nan 0.000 0.417 972 K N -0.515 119.906 120.400 0.035 0.000 2.365 972 K HA 0.003 4.323 4.320 -0.000 0.000 0.197 972 K C 1.684 178.287 176.600 0.004 0.000 1.042 972 K CA 0.676 56.967 56.287 0.007 0.000 0.987 972 K CB 0.262 32.765 32.500 0.005 0.000 0.779 972 K HN 0.348 nan 8.250 nan 0.000 0.484 973 R N -0.296 120.215 120.500 0.019 0.000 2.342 973 R HA 0.155 4.495 4.340 -0.000 0.000 0.204 973 R C -0.020 176.273 176.300 -0.011 0.000 0.882 973 R CA -0.043 56.053 56.100 -0.006 0.000 1.041 973 R CB 0.938 31.224 30.300 -0.025 0.000 1.188 973 R HN -0.137 nan 8.270 nan 0.000 0.598 974 V N 1.900 121.842 119.914 0.047 0.000 2.481 974 V HA 0.265 4.385 4.120 -0.000 0.000 0.286 974 V C -0.422 175.722 176.094 0.083 0.000 1.042 974 V CA -0.379 61.932 62.300 0.019 0.000 0.928 974 V CB 1.553 33.396 31.823 0.034 0.000 0.986 974 V HN 0.061 nan 8.190 nan 0.000 0.462 975 D N 1.895 122.217 120.400 -0.130 0.000 2.664 975 D HA 0.625 5.265 4.640 -0.000 0.000 0.292 975 D C -1.579 174.490 176.300 -0.386 0.000 1.214 975 D CA -0.317 53.652 54.000 -0.053 0.000 0.932 975 D CB 2.137 42.939 40.800 0.004 0.000 1.420 975 D HN 0.222 nan 8.370 nan 0.000 0.471 976 F N 0.071 120.104 119.950 0.138 0.000 2.599 976 F HA 0.596 5.123 4.527 -0.000 0.000 0.311 976 F C 0.690 176.538 175.800 0.080 0.000 1.076 976 F CA -0.855 57.212 58.000 0.113 0.000 0.937 976 F CB 1.713 40.780 39.000 0.112 0.000 1.282 976 F HN -0.069 nan 8.300 nan 0.000 0.460 977 R N 0.227 120.886 120.500 0.266 0.000 2.943 977 R HA 0.365 4.705 4.340 -0.000 0.000 0.246 977 R C -0.165 176.218 176.300 0.138 0.000 1.201 977 R CA -1.126 55.062 56.100 0.145 0.000 1.056 977 R CB 0.763 31.123 30.300 0.101 0.000 1.243 977 R HN 0.858 nan 8.270 nan 0.000 0.498 978 N N 0.557 119.299 118.700 0.070 0.000 2.714 978 N HA -0.200 4.540 4.740 -0.000 0.000 0.253 978 N C -1.034 174.507 175.510 0.051 0.000 1.024 978 N CA 0.849 53.931 53.050 0.052 0.000 0.726 978 N CB -0.338 38.185 38.487 0.060 0.000 0.908 978 N HN 0.694 nan 8.380 nan 0.000 0.542 979 T N -1.997 112.586 114.554 0.048 0.000 2.927 979 T HA 0.835 5.184 4.350 -0.000 0.000 0.286 979 T C 0.775 175.488 174.700 0.022 0.000 1.040 979 T CA 0.194 62.316 62.100 0.036 0.000 1.010 979 T CB 2.130 71.032 68.868 0.055 0.000 1.177 979 T HN 0.888 nan 8.240 nan 0.000 0.546 980 G N -0.219 108.591 108.800 0.017 0.000 2.685 980 G HA2 0.297 4.257 3.960 -0.000 0.000 0.387 980 G HA3 0.297 4.257 3.960 -0.000 0.000 0.387 980 G C 0.728 175.635 174.900 0.011 0.000 1.324 980 G CA -0.152 44.956 45.100 0.014 0.000 0.878 980 G HN 1.598 nan 8.290 nan 0.000 0.527 981 A N -1.265 121.561 122.820 0.009 0.000 2.066 981 A HA 0.244 4.564 4.320 -0.000 0.000 0.218 981 A C 1.537 179.124 177.584 0.004 0.000 1.157 981 A CA 2.288 54.330 52.037 0.007 0.000 0.670 981 A CB -0.119 18.885 19.000 0.006 0.000 0.804 981 A HN 0.586 nan 8.150 nan 0.000 0.453 982 D N 0.039 120.441 120.400 0.003 0.000 2.427 982 D HA 0.074 4.714 4.640 -0.000 0.000 0.224 982 D C 0.628 176.928 176.300 -0.000 0.000 1.157 982 D CA -0.063 53.937 54.000 -0.000 0.000 0.828 982 D CB -0.063 40.735 40.800 -0.002 0.000 0.974 982 D HN 0.811 nan 8.370 nan 0.000 0.498 983 Q N -0.012 119.790 119.800 0.002 0.000 2.368 983 Q HA 0.188 4.527 4.340 -0.000 0.000 0.237 983 Q C -0.275 175.723 176.000 -0.003 0.000 0.987 983 Q CA -0.312 55.492 55.803 0.003 0.000 0.896 983 Q CB 0.953 29.695 28.738 0.006 0.000 1.241 983 Q HN 0.008 nan 8.270 nan 0.000 0.485 984 Q N 1.901 121.697 119.800 -0.006 0.000 2.361 984 Q HA 0.167 4.506 4.340 -0.000 0.000 0.250 984 Q C -0.649 175.337 176.000 -0.023 0.000 1.023 984 Q CA -0.229 55.564 55.803 -0.016 0.000 0.915 984 Q CB 1.004 29.730 28.738 -0.020 0.000 1.238 984 Q HN 0.583 nan 8.270 nan 0.000 0.451 985 T N 1.504 116.044 114.554 -0.024 0.000 2.905 985 T HA 0.104 4.454 4.350 -0.000 0.000 0.299 985 T C 1.319 175.988 174.700 -0.050 0.000 1.024 985 T CA 1.077 63.161 62.100 -0.026 0.000 1.151 985 T CB 0.423 69.281 68.868 -0.016 0.000 0.987 985 T HN 0.989 nan 8.240 nan 0.000 0.535 986 G N 1.712 110.486 108.800 -0.044 0.000 2.225 986 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 986 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 986 G C -0.006 174.848 174.900 -0.077 0.000 0.988 986 G CA 0.053 45.111 45.100 -0.071 0.000 0.625 986 G HN 0.777 nan 8.290 nan 0.000 0.527 987 L N 2.142 123.332 121.223 -0.054 0.000 2.261 987 L HA 0.734 5.074 4.340 -0.000 0.000 0.289 987 L C 0.099 176.979 176.870 0.015 0.000 1.059 987 L CA -0.725 54.096 54.840 -0.031 0.000 0.816 987 L CB 0.713 42.758 42.059 -0.023 0.000 1.191 987 L HN 0.157 nan 8.230 nan 0.000 0.431 988 L N 6.349 127.593 121.223 0.035 0.000 2.272 988 L HA 0.577 4.917 4.340 -0.000 0.000 0.289 988 L C -0.748 176.206 176.870 0.140 0.000 1.032 988 L CA -0.753 54.141 54.840 0.090 0.000 0.810 988 L CB 1.568 43.675 42.059 0.081 0.000 1.205 988 L HN 0.305 nan 8.230 nan 0.000 0.422 989 V N 4.763 124.806 119.914 0.215 0.000 2.409 989 V HA 0.418 4.538 4.120 -0.000 0.000 0.290 989 V C -0.181 176.066 176.094 0.254 0.000 1.017 989 V CA -0.315 62.111 62.300 0.210 0.000 0.841 989 V CB 1.762 33.712 31.823 0.211 0.000 1.003 989 V HN 0.789 nan 8.190 nan 0.000 0.426 990 M N 5.143 124.804 119.600 0.102 0.000 2.364 990 M HA 0.697 5.177 4.480 -0.000 0.000 0.334 990 M C -0.151 176.041 176.300 -0.180 0.000 1.107 990 M CA -0.133 55.037 55.300 -0.217 0.000 0.988 990 M CB 2.122 34.569 32.600 -0.255 0.000 1.673 990 M HN 0.768 nan 8.290 nan 0.000 0.441 991 T N 2.710 117.120 114.554 -0.240 0.000 2.885 991 T HA 0.734 5.083 4.350 -0.000 0.000 0.285 991 T C -0.511 174.080 174.700 -0.182 0.000 1.019 991 T CA -0.764 61.255 62.100 -0.136 0.000 1.010 991 T CB 1.246 70.112 68.868 -0.003 0.000 1.022 991 T HN 0.641 nan 8.240 nan 0.000 0.466 992 I N 2.057 122.525 120.570 -0.169 0.000 2.468 992 I HA 0.318 4.488 4.170 -0.000 0.000 0.284 992 I C -0.744 175.294 176.117 -0.132 0.000 1.038 992 I CA -0.879 60.318 61.300 -0.172 0.000 1.083 992 I CB 1.796 39.642 38.000 -0.256 0.000 1.223 992 I HN 0.650 nan 8.210 nan 0.000 0.443 993 D N 4.005 124.352 120.400 -0.088 0.000 2.304 993 D HA 0.142 4.781 4.640 -0.000 0.000 0.250 993 D C -0.096 176.164 176.300 -0.066 0.000 1.107 993 D CA 0.457 54.419 54.000 -0.063 0.000 0.885 993 D CB 1.470 42.248 40.800 -0.038 0.000 1.192 993 D HN 0.548 nan 8.370 nan 0.000 0.436 994 D N 1.336 121.701 120.400 -0.058 0.000 2.562 994 D HA 0.241 4.881 4.640 -0.000 0.000 0.246 994 D C 0.419 176.697 176.300 -0.036 0.000 1.347 994 D CA -0.296 53.672 54.000 -0.052 0.000 0.800 994 D CB 0.286 41.047 40.800 -0.065 0.000 1.111 994 D HN 0.398 nan 8.370 nan 0.000 0.508 995 G N 0.067 108.849 108.800 -0.030 0.000 2.621 995 G HA2 0.239 4.199 3.960 -0.000 0.000 0.271 995 G HA3 0.239 4.199 3.960 -0.000 0.000 0.271 995 G C 1.209 176.099 174.900 -0.017 0.000 1.236 995 G CA -0.460 44.628 45.100 -0.020 0.000 0.958 995 G HN 0.118 nan 8.290 nan 0.000 0.512 996 M N -0.801 118.792 119.600 -0.013 0.000 2.195 996 M HA -0.166 4.314 4.480 -0.000 0.000 0.260 996 M C 2.570 178.864 176.300 -0.011 0.000 1.066 996 M CA 1.558 56.851 55.300 -0.011 0.000 1.089 996 M CB -0.269 32.326 32.600 -0.009 0.000 1.377 996 M HN 0.580 nan 8.290 nan 0.000 0.411 997 Q N -0.351 119.442 119.800 -0.011 0.000 2.369 997 Q HA -0.019 4.321 4.340 -0.000 0.000 0.206 997 Q C 2.112 178.105 176.000 -0.012 0.000 0.963 997 Q CA 1.088 56.884 55.803 -0.011 0.000 0.894 997 Q CB -0.047 28.684 28.738 -0.011 0.000 0.965 997 Q HN 0.586 nan 8.270 nan 0.000 0.475 998 A N 0.116 122.927 122.820 -0.014 0.000 2.021 998 A HA 0.325 4.645 4.320 -0.000 0.000 0.216 998 A C 1.156 178.732 177.584 -0.012 0.000 1.163 998 A CA 1.248 53.276 52.037 -0.015 0.000 0.676 998 A CB 0.020 19.007 19.000 -0.021 0.000 0.818 998 A HN 0.444 nan 8.150 nan 0.000 0.453 999 G N -1.731 107.062 108.800 -0.012 0.000 2.253 999 G HA2 0.428 4.387 3.960 -0.000 0.000 0.190 999 G HA3 0.428 4.387 3.960 -0.000 0.000 0.190 999 G C 0.156 175.049 174.900 -0.011 0.000 1.274 999 G CA -0.200 44.894 45.100 -0.010 0.000 1.275 999 G HN 1.398 nan 8.290 nan 0.000 0.518 1000 A N -0.192 122.622 122.820 -0.011 0.000 2.351 1000 A HA 0.724 5.044 4.320 -0.000 0.000 0.257 1000 A C 0.927 178.501 177.584 -0.016 0.000 1.087 1000 A CA 1.236 53.266 52.037 -0.011 0.000 0.798 1000 A CB 0.766 19.761 19.000 -0.009 0.000 1.033 1000 A HN 2.147 nan 8.150 nan 0.000 0.488 1001 S N 1.067 116.757 115.700 -0.016 0.000 2.455 1001 S HA 0.270 4.740 4.470 -0.000 0.000 0.278 1001 S C 0.800 175.388 174.600 -0.020 0.000 1.216 1001 S CA -0.531 57.657 58.200 -0.021 0.000 1.055 1001 S CB -0.469 62.720 63.200 -0.019 0.000 0.939 1001 S HN 0.531 nan 8.310 nan 0.000 0.494 1002 L N 3.049 124.257 121.223 -0.026 0.000 2.446 1002 L HA 0.316 4.655 4.340 -0.000 0.000 0.219 1002 L C 0.555 177.411 176.870 -0.023 0.000 1.116 1002 L CA 0.259 55.085 54.840 -0.023 0.000 0.844 1002 L CB 0.035 42.077 42.059 -0.028 0.000 0.970 1002 L HN 0.544 nan 8.230 nan 0.000 0.457 1003 D N -0.638 119.744 120.400 -0.029 0.000 2.542 1003 D HA 0.089 4.729 4.640 -0.000 0.000 0.252 1003 D C 0.923 177.209 176.300 -0.023 0.000 1.222 1003 D CA -0.075 53.910 54.000 -0.026 0.000 0.895 1003 D CB 1.660 42.435 40.800 -0.040 0.000 1.207 1003 D HN -0.047 nan 8.370 nan 0.000 0.558 1004 S N 3.428 119.119 115.700 -0.015 0.000 2.500 1004 S HA -0.096 4.373 4.470 -0.000 0.000 0.239 1004 S C 1.399 175.990 174.600 -0.014 0.000 0.989 1004 S CA 0.560 58.752 58.200 -0.013 0.000 0.951 1004 S CB 0.032 63.226 63.200 -0.009 0.000 0.759 1004 S HN 0.489 nan 8.310 nan 0.000 0.523 1005 R N 0.566 121.058 120.500 -0.015 0.000 2.254 1005 R HA 0.279 4.619 4.340 -0.000 0.000 0.195 1005 R C 0.397 176.685 176.300 -0.021 0.000 0.957 1005 R CA 0.654 56.746 56.100 -0.014 0.000 1.024 1005 R CB 0.504 30.800 30.300 -0.008 0.000 0.952 1005 R HN 0.535 nan 8.270 nan 0.000 0.484 1006 V N -2.972 116.924 119.914 -0.030 0.000 3.078 1006 V HA 0.393 4.513 4.120 -0.000 0.000 0.311 1006 V C -0.616 175.451 176.094 -0.045 0.000 1.138 1006 V CA -0.934 61.341 62.300 -0.041 0.000 1.007 1006 V CB 2.624 34.412 31.823 -0.058 0.000 1.045 1006 V HN -0.165 nan 8.190 nan 0.000 0.432 1007 D N 1.509 121.883 120.400 -0.045 0.000 2.369 1007 D HA 0.466 5.106 4.640 -0.000 0.000 0.211 1007 D C 0.623 176.890 176.300 -0.054 0.000 1.077 1007 D CA 1.445 55.421 54.000 -0.041 0.000 0.842 1007 D CB 1.333 42.117 40.800 -0.027 0.000 0.947 1007 D HN 1.195 nan 8.370 nan 0.000 0.509 1008 G N 0.083 108.838 108.800 -0.075 0.000 2.355 1008 G HA2 0.445 4.404 3.960 -0.000 0.000 0.296 1008 G HA3 0.445 4.404 3.960 -0.000 0.000 0.296 1008 G C -1.738 173.080 174.900 -0.138 0.000 1.507 1008 G CA -0.760 44.279 45.100 -0.101 0.000 0.823 1008 G HN 0.001 nan 8.290 nan 0.000 0.569 1009 I N -0.151 120.309 120.570 -0.182 0.000 2.730 1009 I HA 0.572 4.741 4.170 -0.000 0.000 0.298 1009 I C -0.607 175.383 176.117 -0.211 0.000 1.089 1009 I CA -1.258 59.913 61.300 -0.214 0.000 1.041 1009 I CB 2.609 40.410 38.000 -0.330 0.000 1.235 1009 I HN 0.297 nan 8.210 nan 0.000 0.423 1010 V N 5.910 125.698 119.914 -0.210 0.000 2.487 1010 V HA 0.411 4.531 4.120 -0.000 0.000 0.298 1010 V C -0.375 175.651 176.094 -0.112 0.000 1.028 1010 V CA -0.695 61.471 62.300 -0.223 0.000 0.860 1010 V CB 2.090 33.637 31.823 -0.460 0.000 0.991 1010 V HN 0.370 nan 8.190 nan 0.000 0.427 1011 V N 4.152 124.037 119.914 -0.047 0.000 2.370 1011 V HA 0.793 4.913 4.120 -0.000 0.000 0.283 1011 V C 0.307 176.420 176.094 0.032 0.000 1.023 1011 V CA -0.375 61.942 62.300 0.029 0.000 0.857 1011 V CB 1.557 33.435 31.823 0.091 0.000 0.985 1011 V HN 0.980 nan 8.190 nan 0.000 0.443 1012 A N 6.824 129.658 122.820 0.022 0.000 2.311 1012 A HA 0.855 5.175 4.320 -0.000 0.000 0.306 1012 A C -0.760 176.838 177.584 0.022 0.000 1.189 1012 A CA -0.408 51.648 52.037 0.032 0.000 0.791 1012 A CB 0.611 19.622 19.000 0.018 0.000 1.172 1012 A HN 0.777 nan 8.150 nan 0.000 0.481 1013 I N 2.982 123.570 120.570 0.030 0.000 2.390 1013 I HA 0.230 4.399 4.170 -0.000 0.000 0.283 1013 I C 0.235 176.343 176.117 -0.016 0.000 1.016 1013 I CA -0.215 61.093 61.300 0.013 0.000 1.151 1013 I CB 1.530 39.549 38.000 0.033 0.000 1.293 1013 I HN 0.771 nan 8.210 nan 0.000 0.458 1014 N N 5.999 124.668 118.700 -0.052 0.000 2.918 1014 N HA 0.327 5.067 4.740 -0.000 0.000 0.247 1014 N C -0.001 175.357 175.510 -0.254 0.000 1.117 1014 N CA -0.269 52.701 53.050 -0.132 0.000 1.005 1014 N CB 0.776 39.182 38.487 -0.135 0.000 1.297 1014 N HN 0.729 nan 8.380 nan 0.000 0.513 1015 A N 2.603 125.280 122.820 -0.238 0.000 3.056 1015 A HA 0.560 4.880 4.320 -0.000 0.000 0.274 1015 A C -0.022 177.044 177.584 -0.864 0.000 1.661 1015 A CA -0.282 51.541 52.037 -0.356 0.000 1.363 1015 A CB -0.341 18.662 19.000 0.004 0.000 1.139 1015 A HN 0.634 nan 8.150 nan 0.000 0.598 1016 A N 1.795 123.746 122.820 -1.449 0.000 2.601 1016 A HA 0.815 5.134 4.320 -0.000 0.000 0.291 1016 A C -2.704 174.135 177.584 -1.242 0.000 1.075 1016 A CA -0.965 50.387 52.037 -1.142 0.000 0.671 1016 A CB 0.880 19.585 19.000 -0.491 0.000 1.277 1016 A HN 0.147 nan 8.150 nan 0.000 0.417 1017 P HA 0.111 nan 4.420 nan 0.000 0.249 1017 P C 0.016 177.257 177.300 -0.098 0.000 1.229 1017 P CA 0.690 63.722 63.100 -0.114 0.000 0.788 1017 P CB 0.424 32.218 31.700 0.157 0.000 1.072 1018 E N -0.358 119.744 120.200 -0.163 0.000 2.222 1018 E HA 0.404 4.753 4.350 -0.000 0.000 0.267 1018 E C -0.256 176.281 176.600 -0.105 0.000 0.963 1018 E CA -0.851 55.493 56.400 -0.093 0.000 0.837 1018 E CB 1.281 30.936 29.700 -0.075 0.000 1.183 1018 E HN -0.129 nan 8.360 nan 0.000 0.403 1019 S N 1.100 116.766 115.700 -0.056 0.000 2.565 1019 S HA 0.396 4.866 4.470 -0.000 0.000 0.274 1019 S C -0.254 174.319 174.600 -0.045 0.000 1.309 1019 S CA -0.452 57.721 58.200 -0.045 0.000 1.043 1019 S CB 0.604 63.794 63.200 -0.017 0.000 0.939 1019 S HN 0.251 nan 8.310 nan 0.000 0.504 1020 R N 1.169 121.644 120.500 -0.042 0.000 2.670 1020 R HA 0.586 4.926 4.340 -0.000 0.000 0.289 1020 R C -0.764 175.532 176.300 -0.006 0.000 0.965 1020 R CA -0.344 55.739 56.100 -0.029 0.000 0.899 1020 R CB 1.757 32.033 30.300 -0.040 0.000 1.173 1020 R HN 0.525 nan 8.270 nan 0.000 0.456 1021 T N 3.509 118.065 114.554 0.004 0.000 2.797 1021 T HA 0.509 4.859 4.350 -0.000 0.000 0.279 1021 T C -0.454 174.266 174.700 0.033 0.000 0.991 1021 T CA -0.624 61.488 62.100 0.019 0.000 0.979 1021 T CB 0.682 69.558 68.868 0.014 0.000 0.943 1021 T HN 0.178 nan 8.240 nan 0.000 0.444 1022 L N 3.420 124.681 121.223 0.063 0.000 2.282 1022 L HA 0.429 4.769 4.340 -0.000 0.000 0.288 1022 L C 0.960 177.880 176.870 0.084 0.000 1.033 1022 L CA -0.628 54.270 54.840 0.096 0.000 0.807 1022 L CB 1.383 43.566 42.059 0.206 0.000 1.209 1022 L HN 0.514 nan 8.230 nan 0.000 0.423 1023 Q N 0.894 120.705 119.800 0.017 0.000 2.217 1023 Q HA 0.047 4.387 4.340 -0.000 0.000 0.217 1023 Q C 0.563 176.500 176.000 -0.105 0.000 0.844 1023 Q CA 0.179 55.974 55.803 -0.013 0.000 0.957 1023 Q CB 0.617 29.341 28.738 -0.024 0.000 1.127 1023 Q HN 0.700 nan 8.270 nan 0.000 0.503 1024 D N -0.115 120.134 120.400 -0.252 0.000 2.263 1024 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 1024 D C 0.165 175.956 176.300 -0.847 0.000 0.971 1024 D CA 1.010 54.626 54.000 -0.640 0.000 0.867 1024 D CB -0.005 40.177 40.800 -1.029 0.000 0.929 1024 D HN 0.222 nan 8.370 nan 0.000 0.492 1025 F N -0.111 119.837 119.950 -0.004 0.000 2.805 1025 F HA 0.457 4.984 4.527 -0.000 0.000 0.317 1025 F C 0.546 176.343 175.800 -0.005 0.000 1.146 1025 F CA -0.980 57.016 58.000 -0.006 0.000 1.265 1025 F CB -0.156 38.839 39.000 -0.008 0.000 0.992 1025 F HN -0.216 nan 8.300 nan 0.000 0.511 1026 A N 0.744 123.609 122.820 0.075 0.000 2.522 1026 A HA 0.423 4.743 4.320 -0.000 0.000 0.256 1026 A C 1.351 178.964 177.584 0.048 0.000 1.086 1026 A CA 0.687 52.757 52.037 0.055 0.000 0.763 1026 A CB -0.752 18.258 19.000 0.018 0.000 1.024 1026 A HN 1.142 nan 8.150 nan 0.000 0.502 1027 G N 2.292 111.122 108.800 0.050 0.000 2.326 1027 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.286 1027 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.286 1027 G C 0.481 175.409 174.900 0.047 0.000 1.096 1027 G CA 1.041 46.164 45.100 0.038 0.000 1.003 1027 G HN 2.127 nan 8.290 nan 0.000 0.503 1028 T N -4.290 110.302 114.554 0.063 0.000 3.010 1028 T HA 0.545 4.895 4.350 -0.000 0.000 0.253 1028 T C 1.152 175.874 174.700 0.037 0.000 0.939 1028 T CA 1.108 63.246 62.100 0.065 0.000 0.910 1028 T CB 0.599 69.540 68.868 0.122 0.000 1.226 1028 T HN 2.036 nan 8.240 nan 0.000 0.508 1029 S N 0.351 116.069 115.700 0.031 0.000 3.928 1029 S HA -0.086 4.384 4.470 -0.000 0.000 0.310 1029 S C -0.059 174.538 174.600 -0.006 0.000 1.116 1029 S CA -0.071 58.136 58.200 0.011 0.000 0.864 1029 S CB -2.504 60.700 63.200 0.007 0.000 0.888 1029 S HN 0.611 nan 8.310 nan 0.000 0.535 1030 L N 1.486 122.700 121.223 -0.014 0.000 2.467 1030 L HA 0.404 4.744 4.340 -0.000 0.000 0.270 1030 L C 0.897 177.743 176.870 -0.041 0.000 1.205 1030 L CA 0.418 55.225 54.840 -0.055 0.000 0.828 1030 L CB 0.586 42.581 42.059 -0.106 0.000 1.101 1030 L HN 0.502 nan 8.230 nan 0.000 0.479 1031 Q N 1.757 121.527 119.800 -0.049 0.000 2.379 1031 Q HA 0.393 4.733 4.340 -0.000 0.000 0.278 1031 Q C -1.318 174.662 176.000 -0.033 0.000 1.068 1031 Q CA -1.093 54.692 55.803 -0.031 0.000 0.816 1031 Q CB 3.034 31.760 28.738 -0.020 0.000 1.387 1031 Q HN 0.334 nan 8.270 nan 0.000 0.413 1032 L N 1.953 123.163 121.223 -0.020 0.000 2.426 1032 L HA 0.168 4.507 4.340 -0.000 0.000 0.271 1032 L C -0.075 176.793 176.870 -0.004 0.000 1.169 1032 L CA 0.498 55.330 54.840 -0.013 0.000 0.836 1032 L CB 1.066 43.123 42.059 -0.004 0.000 1.112 1032 L HN 0.768 nan 8.230 nan 0.000 0.465 1033 S N 3.633 119.335 115.700 0.005 0.000 2.558 1033 S HA 0.145 4.615 4.470 -0.000 0.000 0.293 1033 S C 1.332 175.941 174.600 0.014 0.000 1.292 1033 S CA -0.090 58.120 58.200 0.017 0.000 1.063 1033 S CB 0.628 63.849 63.200 0.036 0.000 0.831 1033 S HN 0.940 nan 8.310 nan 0.000 0.499 1034 A N 3.574 126.402 122.820 0.014 0.000 1.978 1034 A HA -0.036 4.283 4.320 -0.000 0.000 0.220 1034 A C 1.959 179.551 177.584 0.013 0.000 1.170 1034 A CA 1.350 53.394 52.037 0.012 0.000 0.636 1034 A CB -0.832 18.174 19.000 0.010 0.000 0.810 1034 A HN 0.918 nan 8.150 nan 0.000 0.448 1035 I N -0.711 119.868 120.570 0.015 0.000 2.226 1035 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 1035 I C 2.773 178.901 176.117 0.018 0.000 1.100 1035 I CA 1.547 62.854 61.300 0.013 0.000 1.374 1035 I CB -0.366 37.638 38.000 0.007 0.000 1.057 1035 I HN 0.456 nan 8.210 nan 0.000 0.413 1036 Q N 0.096 119.909 119.800 0.020 0.000 2.123 1036 Q HA -0.191 4.149 4.340 -0.000 0.000 0.199 1036 Q C 2.227 178.244 176.000 0.029 0.000 0.966 1036 Q CA 1.024 56.844 55.803 0.028 0.000 0.845 1036 Q CB -0.069 28.683 28.738 0.024 0.000 0.907 1036 Q HN 0.586 nan 8.270 nan 0.000 0.439 1037 Q N 0.408 120.221 119.800 0.021 0.000 2.096 1037 Q HA -0.155 4.184 4.340 -0.000 0.000 0.204 1037 Q C 2.105 178.117 176.000 0.020 0.000 0.982 1037 Q CA 1.375 57.189 55.803 0.019 0.000 0.850 1037 Q CB -0.253 28.493 28.738 0.013 0.000 0.901 1037 Q HN 0.347 nan 8.270 nan 0.000 0.422 1038 A N 1.020 123.851 122.820 0.018 0.000 2.019 1038 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 1038 A C 2.184 179.780 177.584 0.019 0.000 1.164 1038 A CA 1.435 53.481 52.037 0.016 0.000 0.644 1038 A CB -0.488 18.520 19.000 0.012 0.000 0.805 1038 A HN 0.386 nan 8.150 nan 0.000 0.449 1039 A N -1.396 121.442 122.820 0.029 0.000 2.167 1039 A HA 0.415 4.734 4.320 -0.000 0.000 0.214 1039 A C 1.918 179.525 177.584 0.039 0.000 1.151 1039 A CA 1.392 53.451 52.037 0.037 0.000 0.735 1039 A CB -1.116 17.921 19.000 0.061 0.000 0.802 1039 A HN 1.884 nan 8.150 nan 0.000 0.467 1040 G N 1.017 109.838 108.800 0.036 0.000 2.611 1040 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.301 1040 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.301 1040 G C 0.456 175.385 174.900 0.049 0.000 1.233 1040 G CA 0.866 45.986 45.100 0.034 0.000 0.993 1040 G HN 0.902 nan 8.290 nan 0.000 0.553 1041 D N 0.541 120.967 120.400 0.044 0.000 2.363 1041 D HA 0.087 4.727 4.640 -0.000 0.000 0.226 1041 D C 1.950 178.297 176.300 0.079 0.000 1.020 1041 D CA 0.700 54.735 54.000 0.058 0.000 0.892 1041 D CB -0.154 40.672 40.800 0.044 0.000 0.900 1041 D HN 0.592 nan 8.370 nan 0.000 0.531 1042 R N -0.247 120.296 120.500 0.071 0.000 2.334 1042 R HA 0.180 4.519 4.340 -0.000 0.000 0.216 1042 R C 0.637 177.053 176.300 0.194 0.000 0.905 1042 R CA -0.150 55.991 56.100 0.068 0.000 1.064 1042 R CB 0.404 30.702 30.300 -0.005 0.000 1.046 1042 R HN 0.011 nan 8.270 nan 0.000 0.508 1043 S N 0.150 115.966 115.700 0.194 0.000 2.617 1043 S HA 0.161 4.631 4.470 -0.000 0.000 0.269 1043 S C 1.197 175.950 174.600 0.255 0.000 1.292 1043 S CA -0.554 57.777 58.200 0.218 0.000 1.010 1043 S CB 0.835 64.101 63.200 0.111 0.000 0.944 1043 S HN 0.200 nan 8.310 nan 0.000 0.536 1044 L N 2.692 123.988 121.223 0.122 0.000 2.465 1044 L HA 0.079 4.419 4.340 -0.000 0.000 0.224 1044 L C 2.070 178.915 176.870 -0.042 0.000 1.145 1044 L CA 0.919 55.675 54.840 -0.140 0.000 0.834 1044 L CB -0.383 41.513 42.059 -0.271 0.000 0.944 1044 L HN 0.820 nan 8.230 nan 0.000 0.451 1045 A N -1.386 121.445 122.820 0.018 0.000 2.423 1045 A HA 0.091 4.410 4.320 -0.000 0.000 0.246 1045 A C 1.025 178.631 177.584 0.037 0.000 1.278 1045 A CA -0.107 51.940 52.037 0.018 0.000 0.903 1045 A CB -0.053 18.955 19.000 0.014 0.000 0.997 1045 A HN 0.183 nan 8.150 nan 0.000 0.510 1046 S N -0.086 115.652 115.700 0.063 0.000 2.544 1046 S HA 0.384 4.853 4.470 -0.000 0.000 0.290 1046 S C 1.453 176.085 174.600 0.052 0.000 1.276 1046 S CA 1.147 59.387 58.200 0.067 0.000 1.075 1046 S CB 0.008 63.267 63.200 0.097 0.000 0.849 1046 S HN 1.825 nan 8.310 nan 0.000 0.494 1047 G N 3.053 111.878 108.800 0.041 0.000 2.195 1047 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 1047 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 1047 G C 0.172 175.087 174.900 0.025 0.000 0.984 1047 G CA -0.028 45.092 45.100 0.034 0.000 0.633 1047 G HN 0.996 nan 8.290 nan 0.000 0.525 1048 V N 2.573 122.500 119.914 0.022 0.000 2.740 1048 V HA 0.446 4.566 4.120 -0.000 0.000 0.303 1048 V C 0.648 176.750 176.094 0.013 0.000 1.054 1048 V CA 0.915 63.223 62.300 0.014 0.000 1.106 1048 V CB 1.345 33.173 31.823 0.009 0.000 0.957 1048 V HN 0.645 nan 8.190 nan 0.000 0.486 1049 Q N 3.479 123.286 119.800 0.012 0.000 2.304 1049 Q HA 0.682 5.022 4.340 -0.000 0.000 0.270 1049 Q C -1.671 174.337 176.000 0.013 0.000 1.035 1049 Q CA -0.857 54.954 55.803 0.013 0.000 0.781 1049 Q CB 2.190 30.937 28.738 0.014 0.000 1.261 1049 Q HN 0.376 nan 8.270 nan 0.000 0.444 1050 V N 1.946 121.866 119.914 0.011 0.000 2.311 1050 V HA 0.573 4.693 4.120 -0.000 0.000 0.275 1050 V C 0.175 176.278 176.094 0.015 0.000 1.022 1050 V CA -0.468 61.840 62.300 0.012 0.000 0.830 1050 V CB 0.707 32.532 31.823 0.004 0.000 1.012 1050 V HN 0.918 nan 8.190 nan 0.000 0.452 1051 A N 4.134 126.966 122.820 0.020 0.000 2.272 1051 A HA 0.750 5.070 4.320 -0.000 0.000 0.275 1051 A C 1.597 179.192 177.584 0.019 0.000 1.096 1051 A CA 0.339 52.387 52.037 0.019 0.000 0.822 1051 A CB 0.570 19.582 19.000 0.021 0.000 1.088 1051 A HN 1.126 nan 8.150 nan 0.000 0.495 1052 A N 0.342 123.172 122.820 0.016 0.000 1.908 1052 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 1052 A C 1.360 178.955 177.584 0.018 0.000 1.181 1052 A CA 2.183 54.229 52.037 0.015 0.000 0.627 1052 A CB -1.012 17.996 19.000 0.012 0.000 0.818 1052 A HN 0.942 nan 8.150 nan 0.000 0.445 1053 D N -2.069 118.342 120.400 0.019 0.000 2.371 1053 D HA 0.284 4.924 4.640 -0.000 0.000 0.234 1053 D C 1.153 177.472 176.300 0.031 0.000 1.049 1053 D CA 1.023 55.035 54.000 0.021 0.000 0.907 1053 D CB -0.575 40.235 40.800 0.017 0.000 0.891 1053 D HN 0.795 nan 8.370 nan 0.000 0.531 1054 G N -0.105 108.717 108.800 0.037 0.000 2.179 1054 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 1054 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 1054 G C 0.466 175.413 174.900 0.077 0.000 0.977 1054 G CA 0.381 45.515 45.100 0.056 0.000 0.641 1054 G HN 0.872 nan 8.290 nan 0.000 0.533 1055 S N -0.663 115.073 115.700 0.060 0.000 2.576 1055 S HA 0.652 5.122 4.470 -0.000 0.000 0.276 1055 S C 0.027 174.666 174.600 0.064 0.000 1.339 1055 S CA -0.064 58.177 58.200 0.069 0.000 1.039 1055 S CB 2.475 65.701 63.200 0.043 0.000 0.902 1055 S HN 1.084 nan 8.310 nan 0.000 0.516 1056 V N 2.631 122.593 119.914 0.079 0.000 2.487 1056 V HA 0.507 4.626 4.120 -0.000 0.000 0.298 1056 V C -0.063 176.057 176.094 0.043 0.000 1.028 1056 V CA -0.579 61.754 62.300 0.054 0.000 0.860 1056 V CB 1.877 33.732 31.823 0.052 0.000 0.991 1056 V HN 1.075 nan 8.190 nan 0.000 0.427 1057 T N 6.494 121.063 114.554 0.026 0.000 2.807 1057 T HA 0.700 5.049 4.350 -0.000 0.000 0.279 1057 T C -0.500 174.205 174.700 0.009 0.000 0.993 1057 T CA -0.328 61.782 62.100 0.017 0.000 0.970 1057 T CB 0.973 69.849 68.868 0.014 0.000 0.950 1057 T HN 0.376 nan 8.240 nan 0.000 0.441 1058 L N 4.858 126.081 121.223 0.000 0.000 2.329 1058 L HA 0.531 4.870 4.340 -0.000 0.000 0.279 1058 L C -2.464 174.394 176.870 -0.020 0.000 1.014 1058 L CA -2.510 52.324 54.840 -0.009 0.000 0.814 1058 L CB 1.638 43.687 42.059 -0.017 0.000 1.257 1058 L HN 0.329 nan 8.230 nan 0.000 0.424 1059 P HA 0.169 nan 4.420 nan 0.000 0.274 1059 P C -0.603 176.676 177.300 -0.035 0.000 1.256 1059 P CA -0.475 62.623 63.100 -0.004 0.000 0.795 1059 P CB 0.589 32.305 31.700 0.026 0.000 1.038 1060 A N 0.514 123.315 122.820 -0.032 0.000 2.520 1060 A HA 0.115 4.435 4.320 -0.000 0.000 0.235 1060 A C -0.494 177.082 177.584 -0.014 0.000 1.065 1060 A CA -0.104 51.858 52.037 -0.125 0.000 0.764 1060 A CB -1.271 17.722 19.000 -0.012 0.000 1.002 1060 A HN 0.661 nan 8.150 nan 0.000 0.502 1061 W N 0.756 122.051 121.300 -0.009 0.000 6.880 1061 W HA -0.161 4.498 4.660 -0.000 0.000 0.423 1061 W C 0.772 177.256 176.519 -0.059 0.000 1.695 1061 W CA 0.850 58.179 57.345 -0.027 0.000 1.126 1061 W CB -1.928 27.521 29.460 -0.017 0.000 2.925 1061 W HN 1.071 nan 8.180 nan 0.000 1.530 1062 S N -1.657 114.067 115.700 0.040 0.000 2.671 1062 S HA 0.929 5.399 4.470 -0.000 0.000 0.299 1062 S C -0.752 173.832 174.600 -0.026 0.000 1.116 1062 S CA -1.138 57.059 58.200 -0.005 0.000 0.912 1062 S CB 3.012 66.209 63.200 -0.005 0.000 1.130 1062 S HN 0.203 nan 8.310 nan 0.000 0.501 1063 V N 0.585 120.472 119.914 -0.046 0.000 2.623 1063 V HA 0.842 4.962 4.120 -0.000 0.000 0.304 1063 V C -0.370 175.709 176.094 -0.025 0.000 1.054 1063 V CA -0.352 61.927 62.300 -0.036 0.000 0.882 1063 V CB 1.281 33.071 31.823 -0.056 0.000 1.002 1063 V HN 1.347 nan 8.190 nan 0.000 0.424 1064 A N 4.148 126.961 122.820 -0.012 0.000 2.393 1064 A HA 0.904 5.224 4.320 -0.000 0.000 0.306 1064 A C -1.215 176.367 177.584 -0.002 0.000 1.050 1064 A CA -0.597 51.435 52.037 -0.009 0.000 0.724 1064 A CB 2.033 21.024 19.000 -0.014 0.000 1.248 1064 A HN 0.687 nan 8.150 nan 0.000 0.424 1065 V N 4.213 124.132 119.914 0.008 0.000 2.378 1065 V HA 0.433 4.552 4.120 -0.000 0.000 0.288 1065 V C -0.717 175.374 176.094 -0.004 0.000 1.016 1065 V CA -0.489 61.832 62.300 0.035 0.000 0.840 1065 V CB 1.088 32.974 31.823 0.104 0.000 0.994 1065 V HN 0.727 nan 8.190 nan 0.000 0.431 1066 L N 4.948 126.137 121.223 -0.058 0.000 2.334 1066 L HA 0.728 5.068 4.340 -0.000 0.000 0.273 1066 L C 0.049 176.853 176.870 -0.110 0.000 1.013 1066 L CA -0.480 54.303 54.840 -0.095 0.000 0.816 1066 L CB 1.989 43.950 42.059 -0.164 0.000 1.278 1066 L HN 0.857 nan 8.230 nan 0.000 0.431 1067 E N 1.648 121.795 120.200 -0.089 0.000 2.312 1067 E HA 0.597 4.947 4.350 -0.000 0.000 0.267 1067 E C -1.391 175.162 176.600 -0.079 0.000 0.894 1067 E CA -0.872 55.477 56.400 -0.085 0.000 0.773 1067 E CB 2.363 32.033 29.700 -0.051 0.000 1.241 1067 E HN 0.423 nan 8.360 nan 0.000 0.432 1068 L N 2.972 124.150 121.223 -0.075 0.000 2.272 1068 L HA 0.357 4.697 4.340 -0.000 0.000 0.284 1068 L C -2.082 174.765 176.870 -0.038 0.000 1.045 1068 L CA -2.209 52.600 54.840 -0.051 0.000 0.842 1068 L CB 0.863 42.896 42.059 -0.044 0.000 1.224 1068 L HN 0.366 nan 8.230 nan 0.000 0.430 1069 P HA -0.085 nan 4.420 nan 0.000 0.265 1069 P C -0.847 176.442 177.300 -0.018 0.000 1.193 1069 P CA -0.015 63.073 63.100 -0.021 0.000 0.765 1069 P CB 0.831 32.522 31.700 -0.015 0.000 0.823 1070 Q N 1.903 121.692 119.800 -0.018 0.000 2.261 1070 Q HA 0.448 4.788 4.340 -0.000 0.000 0.252 1070 Q C 0.703 176.697 176.000 -0.011 0.000 0.915 1070 Q CA -0.415 55.379 55.803 -0.015 0.000 0.915 1070 Q CB 0.762 29.489 28.738 -0.017 0.000 1.204 1070 Q HN 0.610 nan 8.270 nan 0.000 0.421 1071 G N 1.585 110.379 108.800 -0.009 0.000 2.714 1071 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.197 1071 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.197 1071 G C 0.381 175.277 174.900 -0.007 0.000 1.449 1071 G CA -0.062 45.034 45.100 -0.007 0.000 1.065 1071 G HN 0.869 nan 8.290 nan 0.000 0.575 1072 E N -0.786 119.411 120.200 -0.005 0.000 2.118 1072 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 1072 E C 0.867 177.464 176.600 -0.006 0.000 0.992 1072 E CA 1.289 57.686 56.400 -0.005 0.000 0.804 1072 E CB -0.028 29.669 29.700 -0.004 0.000 0.741 1072 E HN 0.385 nan 8.360 nan 0.000 0.458 1073 S N -1.159 114.537 115.700 -0.006 0.000 2.618 1073 S HA 0.218 4.688 4.470 -0.000 0.000 0.277 1073 S C -0.640 173.955 174.600 -0.008 0.000 1.138 1073 S CA -1.051 57.145 58.200 -0.007 0.000 0.844 1073 S CB 1.621 64.817 63.200 -0.006 0.000 1.127 1073 S HN 0.195 nan 8.310 nan 0.000 0.474 1074 Q N 0.243 120.037 119.800 -0.009 0.000 2.304 1074 Q HA 0.329 4.669 4.340 -0.000 0.000 0.315 1074 Q C 0.554 176.548 176.000 -0.010 0.000 1.075 1074 Q CA 0.634 56.430 55.803 -0.011 0.000 0.988 1074 Q CB -0.052 28.679 28.738 -0.012 0.000 1.146 1074 Q HN 0.889 nan 8.270 nan 0.000 0.383 1075 G N 1.561 110.354 108.800 -0.011 0.000 2.583 1075 G HA2 0.448 4.408 3.960 -0.000 0.000 0.280 1075 G HA3 0.448 4.408 3.960 -0.000 0.000 0.280 1075 G C 0.373 175.269 174.900 -0.007 0.000 1.376 1075 G CA 0.009 45.104 45.100 -0.008 0.000 1.043 1075 G HN 0.801 nan 8.290 nan 0.000 0.538 1076 A N -1.568 121.250 122.820 -0.003 0.000 1.898 1076 A HA 0.418 4.738 4.320 -0.000 0.000 0.216 1076 A C 1.959 179.542 177.584 -0.002 0.000 1.181 1076 A CA 2.151 54.187 52.037 -0.001 0.000 0.620 1076 A CB -1.202 17.800 19.000 0.003 0.000 0.819 1076 A HN 2.557 nan 8.150 nan 0.000 0.442 1077 G N -1.461 107.338 108.800 -0.001 0.000 2.539 1077 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.256 1077 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.256 1077 G C -0.173 174.735 174.900 0.014 0.000 1.233 1077 G CA 0.009 45.107 45.100 -0.004 0.000 0.936 1077 G HN 0.914 nan 8.290 nan 0.000 0.571 1078 L N 2.173 123.401 121.223 0.009 0.000 2.495 1078 L HA 0.350 4.690 4.340 -0.000 0.000 0.248 1078 L C -1.991 174.885 176.870 0.010 0.000 1.229 1078 L CA -1.606 53.254 54.840 0.033 0.000 0.942 1078 L CB 1.676 43.765 42.059 0.050 0.000 1.242 1078 L HN 0.416 nan 8.230 nan 0.000 0.484 1079 P HA 0.001 nan 4.420 nan 0.000 0.266 1079 P C 0.086 177.382 177.300 -0.007 0.000 1.195 1079 P CA 0.015 63.111 63.100 -0.006 0.000 0.768 1079 P CB 1.397 33.093 31.700 -0.007 0.000 0.838 1080 V N 3.406 123.312 119.914 -0.014 0.000 2.585 1080 V HA -0.002 4.118 4.120 -0.000 0.000 0.296 1080 V C 1.300 177.381 176.094 -0.022 0.000 1.035 1080 V CA 0.246 62.535 62.300 -0.019 0.000 1.084 1080 V CB 0.187 31.992 31.823 -0.031 0.000 0.953 1080 V HN 0.735 nan 8.190 nan 0.000 0.483 1081 S N 3.865 119.554 115.700 -0.018 0.000 2.528 1081 S HA 0.236 4.706 4.470 -0.000 0.000 0.277 1081 S C 0.191 174.773 174.600 -0.029 0.000 1.297 1081 S CA -0.417 57.771 58.200 -0.020 0.000 1.052 1081 S CB 1.117 64.309 63.200 -0.013 0.000 0.917 1081 S HN 0.777 nan 8.310 nan 0.000 0.492 1082 S N 2.645 118.328 115.700 -0.028 0.000 2.549 1082 S HA 0.280 4.749 4.470 -0.000 0.000 0.283 1082 S C -0.124 174.458 174.600 -0.029 0.000 1.320 1082 S CA -0.302 57.879 58.200 -0.031 0.000 1.058 1082 S CB -0.082 63.103 63.200 -0.025 0.000 0.882 1082 S HN 0.799 nan 8.310 nan 0.000 0.498 1083 K N 0.000 120.379 120.400 -0.036 0.000 2.780 1083 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1083 K CA 0.000 56.269 56.287 -0.029 0.000 0.838 1083 K CB 0.000 32.478 32.500 -0.037 0.000 1.064 1083 K HN 0.000 nan 8.250 nan 0.000 0.543