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 3ak5_1_A DATA FIRST_RESID 53 DATA SEQUENCE GTVNNELGYQ LFRDFAENKG MFRPGATNIA IYNKQGEFVG TLDKAAMPDF DATA SEQUENCE SAVDSEIGVA TLINPQYIAS VKHNGGYTNV SFGDGENRYN IVDRNNAPSL DATA SEQUENCE DFHAPRLDKL VTEVAPTAVT AQGAVAGAYL DKERYPVFYR LGSGTQYIKD DATA SEQUENCE SNGQLTKMGG AYSWLTGGTV GSLSSYQNGE MISTSSGLVF DYKLNGAMPI DATA SEQUENCE YGEAGDSGSP LFAFDTVQNK WVLVGVLTAG NGAGGRGNNW AVIPLDFIGQ DATA SEQUENCE KFNEDNDAPV TFRTSEGGAL EWSFNSSTGA GALTQGTTTY AMHGQQGNDL DATA SEQUENCE NAGKNLIFQG QNGQINLKDS VSQGAGSLTF RDNYTVTTSN GSTWTGAGIV DATA SEQUENCE VDNGVSVNWQ VNGVKGDNLH KIGEGTLTVQ GTGINEGGLK VGDGKVVLNQ DATA SEQUENCE QADNKGQVQA FSSVNIASGR PTVVLTDERQ VNPDTVSWGY RGGTLDVNGN DATA SEQUENCE SLTFHQLKAA DYGAVLANNV DKRATITLDY XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXGY LFHGQLKGNL NVDNRLPEGV TGALVMDGAA DISGTFTQEN DATA SEQUENCE GRLTLQGHPV IHAYNTQSVA DKLAASGDHS VLTQPTSFSQ EDWENRSFTF DATA SEQUENCE DRLSLKNTDF GLGRNATLNT TIQADNSSVT LGDSRVFIDK NDGQGTAFTL DATA SEQUENCE EEGTSVATKD ADKSVFNGTV NLDNQSVLNI NDIFNGGIQA NNSTVNISSD DATA SEQUENCE SAVLGNSTLT STALNLNKGA NALASQSFVS DGPVNISDAT LSLNSRPDEV DATA SEQUENCE SHTLLPVYDY AGSWNLKGDD ARLNVGPYSM LSGNINVQDK GTVTLGGEGE DATA SEQUENCE LSPDLTLQNQ MLYSLFNGYR NIWSGSLNAP DATVSMTDTQ WSMNGNSTAG DATA SEQUENCE NMKLNRTIVG FNGGTSPFTT LTTDNLDAVQ SAFVMRTDLN KADKLVINKS DATA SEQUENCE ATGHDNSIWV NFLKKPSNKD TLDIPLVSAP EATADNLFRA STRVVGFSDV DATA SEQUENCE TPILSVRKED GKKEWVLDGY QVARNDGQGK AAATFMHISY NNFITEVN 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 53 G HA2 0.000 nan 3.960 nan 0.000 0.244 53 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 53 G C 0.000 174.930 174.900 0.049 0.000 0.946 53 G CA 0.000 45.056 45.100 -0.073 0.000 0.502 54 T N 0.452 115.060 114.554 0.089 0.000 2.807 54 T HA 0.700 5.050 4.350 -0.000 0.000 0.279 54 T C 0.212 174.870 174.700 -0.069 0.000 0.993 54 T CA -0.259 61.911 62.100 0.118 0.000 0.970 54 T CB 1.348 70.331 68.868 0.192 0.000 0.950 54 T HN 1.472 nan 8.240 nan 0.000 0.441 55 V N 1.579 121.396 119.914 -0.163 0.000 3.046 55 V HA 0.817 4.937 4.120 -0.000 0.000 0.316 55 V C -0.260 175.681 176.094 -0.255 0.000 1.104 55 V CA -1.499 60.567 62.300 -0.391 0.000 1.006 55 V CB 1.846 33.029 31.823 -1.067 0.000 1.058 55 V HN 0.868 nan 8.190 nan 0.000 0.440 56 N N 1.495 119.983 118.700 -0.352 0.000 2.503 56 N HA 0.180 4.920 4.740 -0.000 0.000 0.267 56 N C 0.267 175.676 175.510 -0.167 0.000 1.214 56 N CA -0.003 52.700 53.050 -0.578 0.000 0.959 56 N CB 0.266 37.877 38.487 -1.460 0.000 1.142 56 N HN 0.875 nan 8.380 nan 0.000 0.455 57 N N -0.124 118.559 118.700 -0.028 0.000 2.375 57 N HA -0.011 4.729 4.740 -0.000 0.000 0.220 57 N C -0.088 175.522 175.510 0.167 0.000 1.170 57 N CA 0.178 53.303 53.050 0.125 0.000 0.833 57 N CB -0.032 38.548 38.487 0.155 0.000 1.069 57 N HN 0.774 nan 8.380 nan 0.000 0.479 58 E N -0.274 120.017 120.200 0.152 0.000 2.290 58 E HA 0.239 4.589 4.350 -0.000 0.000 0.197 58 E C -0.021 176.692 176.600 0.188 0.000 0.948 58 E CA 0.022 56.544 56.400 0.204 0.000 0.895 58 E CB 0.505 30.364 29.700 0.265 0.000 0.865 58 E HN 0.314 nan 8.360 nan 0.000 0.486 59 L N 0.930 122.277 121.223 0.208 0.000 2.375 59 L HA 0.308 4.648 4.340 -0.000 0.000 0.271 59 L C 0.723 177.721 176.870 0.213 0.000 1.107 59 L CA -0.767 54.177 54.840 0.174 0.000 0.806 59 L CB 1.143 43.278 42.059 0.127 0.000 1.146 59 L HN 0.001 nan 8.230 nan 0.000 0.447 60 G N 0.282 109.164 108.800 0.136 0.000 2.343 60 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.254 60 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.254 60 G C 0.287 175.320 174.900 0.220 0.000 1.277 60 G CA -0.099 45.101 45.100 0.167 0.000 0.909 60 G HN 0.671 nan 8.290 nan 0.000 0.502 61 Y N 1.752 122.153 120.300 0.169 0.000 2.241 61 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 61 Y C 2.836 178.857 175.900 0.202 0.000 1.166 61 Y CA 2.334 60.593 58.100 0.265 0.000 1.203 61 Y CB -0.011 38.532 38.460 0.139 0.000 0.977 61 Y HN 0.638 nan 8.280 nan 0.000 0.529 62 Q N 0.210 120.089 119.800 0.132 0.000 2.170 62 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 62 Q C 1.980 177.992 176.000 0.020 0.000 0.976 62 Q CA 1.708 57.550 55.803 0.065 0.000 0.858 62 Q CB -0.541 28.257 28.738 0.101 0.000 0.907 62 Q HN 0.633 nan 8.270 nan 0.000 0.433 63 L N -0.817 120.376 121.223 -0.049 0.000 2.013 63 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 63 L C 1.954 178.608 176.870 -0.360 0.000 1.073 63 L CA 1.404 56.167 54.840 -0.128 0.000 0.753 63 L CB -0.552 41.323 42.059 -0.307 0.000 0.890 63 L HN 0.227 nan 8.230 nan 0.000 0.432 64 F N -0.623 119.179 119.950 -0.246 0.000 2.259 64 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 64 F C 2.666 178.314 175.800 -0.252 0.000 1.088 64 F CA 0.843 58.636 58.000 -0.346 0.000 1.358 64 F CB -0.385 38.352 39.000 -0.439 0.000 1.040 64 F HN -0.080 nan 8.300 nan 0.000 0.505 65 R N 0.387 120.843 120.500 -0.074 0.000 2.055 65 R HA -0.088 4.252 4.340 -0.000 0.000 0.228 65 R C 1.815 178.127 176.300 0.020 0.000 1.143 65 R CA 1.352 57.433 56.100 -0.032 0.000 0.945 65 R CB -1.105 29.152 30.300 -0.072 0.000 0.841 65 R HN 0.186 nan 8.270 nan 0.000 0.429 66 D N 0.295 120.720 120.400 0.042 0.000 2.182 66 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 66 D C 1.671 177.958 176.300 -0.021 0.000 0.986 66 D CA 0.844 54.914 54.000 0.116 0.000 0.847 66 D CB -0.246 40.762 40.800 0.347 0.000 0.942 66 D HN 0.135 nan 8.370 nan 0.000 0.467 67 F N 1.375 120.951 119.950 -0.623 0.000 2.084 67 F HA -0.122 4.405 4.527 -0.000 0.000 0.296 67 F C 2.256 177.944 175.800 -0.187 0.000 1.111 67 F CA 1.554 59.010 58.000 -0.907 0.000 1.224 67 F CB -0.045 38.300 39.000 -1.093 0.000 0.991 67 F HN -0.065 nan 8.300 nan 0.000 0.471 68 A N -0.164 122.806 122.820 0.251 0.000 2.024 68 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 68 A C 1.792 179.475 177.584 0.165 0.000 1.164 68 A CA 1.937 54.093 52.037 0.199 0.000 0.643 68 A CB -0.718 18.344 19.000 0.104 0.000 0.806 68 A HN 0.650 nan 8.150 nan 0.000 0.451 69 E N -1.454 118.823 120.200 0.129 0.000 2.501 69 E HA 0.129 4.479 4.350 -0.000 0.000 0.201 69 E C -0.355 176.316 176.600 0.119 0.000 1.016 69 E CA -0.183 56.291 56.400 0.122 0.000 0.920 69 E CB -0.059 29.691 29.700 0.085 0.000 1.023 69 E HN 0.695 nan 8.360 nan 0.000 0.474 70 N N 1.320 120.082 118.700 0.104 0.000 2.747 70 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 70 N C -0.900 174.626 175.510 0.027 0.000 1.107 70 N CA 0.574 53.636 53.050 0.019 0.000 0.707 70 N CB -0.433 38.048 38.487 -0.010 0.000 1.054 70 N HN 0.065 nan 8.380 nan 0.000 0.555 71 K N -0.395 120.041 120.400 0.060 0.000 2.166 71 K HA 0.666 4.986 4.320 -0.000 0.000 0.245 71 K C 1.115 177.679 176.600 -0.060 0.000 0.967 71 K CA -0.070 56.203 56.287 -0.023 0.000 0.863 71 K CB 1.412 33.891 32.500 -0.034 0.000 1.107 71 K HN 0.164 nan 8.250 nan 0.000 0.436 72 G N 1.830 110.435 108.800 -0.326 0.000 2.536 72 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.280 72 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.280 72 G C 0.815 175.573 174.900 -0.235 0.000 1.152 72 G CA 0.563 45.372 45.100 -0.485 0.000 0.970 72 G HN 0.748 nan 8.290 nan 0.000 0.549 73 M N -0.482 118.964 119.600 -0.256 0.000 2.630 73 M HA 0.388 4.868 4.480 -0.000 0.000 0.254 73 M C 1.541 177.518 176.300 -0.537 0.000 1.092 73 M CA 1.677 56.724 55.300 -0.421 0.000 1.087 73 M CB -0.221 32.086 32.600 -0.488 0.000 1.453 73 M HN 0.266 nan 8.290 nan 0.000 0.509 74 F N 1.497 121.373 119.950 -0.123 0.000 2.660 74 F HA 0.396 4.923 4.527 -0.000 0.000 0.297 74 F C 0.636 176.302 175.800 -0.224 0.000 1.132 74 F CA -0.697 57.187 58.000 -0.192 0.000 1.372 74 F CB -0.215 38.649 39.000 -0.227 0.000 1.003 74 F HN 0.001 nan 8.300 nan 0.000 0.524 75 R N 1.591 122.042 120.500 -0.081 0.000 2.623 75 R HA 0.098 4.438 4.340 -0.000 0.000 0.271 75 R C -2.327 173.890 176.300 -0.137 0.000 1.043 75 R CA -1.576 54.462 56.100 -0.103 0.000 1.083 75 R CB -0.287 29.950 30.300 -0.105 0.000 0.974 75 R HN -0.082 nan 8.270 nan 0.000 0.436 76 P HA -0.120 nan 4.420 nan 0.000 0.261 76 P C 0.607 177.835 177.300 -0.120 0.000 1.173 76 P CA 1.220 64.209 63.100 -0.184 0.000 0.760 76 P CB 0.412 32.021 31.700 -0.152 0.000 0.783 77 G N 1.978 110.717 108.800 -0.101 0.000 2.225 77 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.254 77 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.254 77 G C 0.474 175.343 174.900 -0.052 0.000 0.988 77 G CA -0.008 45.061 45.100 -0.052 0.000 0.625 77 G HN 0.859 nan 8.290 nan 0.000 0.527 78 A N 0.663 123.438 122.820 -0.075 0.000 2.531 78 A HA 0.590 4.910 4.320 -0.000 0.000 0.236 78 A C 0.916 178.472 177.584 -0.046 0.000 1.062 78 A CA 1.715 53.705 52.037 -0.078 0.000 0.760 78 A CB 0.091 19.019 19.000 -0.121 0.000 0.995 78 A HN 1.899 nan 8.150 nan 0.000 0.501 79 T N -0.183 114.347 114.554 -0.041 0.000 2.924 79 T HA 0.548 4.898 4.350 -0.000 0.000 0.291 79 T C -0.175 174.516 174.700 -0.015 0.000 1.045 79 T CA -0.791 61.297 62.100 -0.020 0.000 1.015 79 T CB 0.998 69.852 68.868 -0.024 0.000 1.103 79 T HN 0.782 nan 8.240 nan 0.000 0.496 80 N N 0.628 119.333 118.700 0.008 0.000 2.669 80 N HA -0.142 4.598 4.740 -0.000 0.000 0.266 80 N C -0.743 174.778 175.510 0.018 0.000 1.024 80 N CA 0.358 53.422 53.050 0.024 0.000 0.766 80 N CB -1.299 37.197 38.487 0.015 0.000 0.898 80 N HN 0.747 nan 8.380 nan 0.000 0.548 81 I N 0.629 121.207 120.570 0.012 0.000 2.421 81 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 81 I C 1.187 177.314 176.117 0.017 0.000 1.089 81 I CA -0.181 61.100 61.300 -0.031 0.000 1.354 81 I CB 0.673 38.600 38.000 -0.123 0.000 1.413 81 I HN 0.292 nan 8.210 nan 0.000 0.513 82 A N 8.219 131.063 122.820 0.041 0.000 2.401 82 A HA 0.604 4.924 4.320 -0.000 0.000 0.259 82 A C -0.219 177.316 177.584 -0.081 0.000 1.103 82 A CA -0.240 51.830 52.037 0.056 0.000 0.789 82 A CB 0.244 19.355 19.000 0.186 0.000 1.035 82 A HN 0.553 nan 8.150 nan 0.000 0.491 83 I N 1.712 122.087 120.570 -0.325 0.000 2.474 83 I HA 0.410 4.580 4.170 -0.000 0.000 0.294 83 I C -1.043 174.710 176.117 -0.607 0.000 1.005 83 I CA -0.426 60.680 61.300 -0.323 0.000 1.113 83 I CB 1.050 38.887 38.000 -0.272 0.000 1.289 83 I HN 0.608 nan 8.210 nan 0.000 0.436 84 Y N 3.067 123.326 120.300 -0.068 0.000 2.462 84 Y HA 0.326 4.876 4.550 -0.000 0.000 0.346 84 Y C 0.838 176.718 175.900 -0.033 0.000 0.976 84 Y CA -0.741 57.337 58.100 -0.036 0.000 1.044 84 Y CB 1.290 39.772 38.460 0.035 0.000 1.230 84 Y HN 0.516 nan 8.280 nan 0.000 0.455 85 N N 1.668 120.446 118.700 0.129 0.000 2.206 85 N HA -0.118 4.622 4.740 -0.000 0.000 0.226 85 N C 0.903 176.497 175.510 0.141 0.000 1.272 85 N CA 0.606 53.731 53.050 0.126 0.000 0.863 85 N CB 0.645 39.215 38.487 0.138 0.000 1.092 85 N HN 0.775 nan 8.380 nan 0.000 0.440 86 K N 0.642 121.121 120.400 0.132 0.000 2.097 86 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 86 K C 1.148 177.812 176.600 0.106 0.000 1.049 86 K CA 1.089 57.447 56.287 0.119 0.000 0.933 86 K CB 0.096 32.669 32.500 0.122 0.000 0.717 86 K HN 0.492 nan 8.250 nan 0.000 0.442 87 Q N -0.247 119.619 119.800 0.110 0.000 2.387 87 Q HA 0.037 4.377 4.340 -0.000 0.000 0.211 87 Q C 0.705 176.763 176.000 0.096 0.000 0.952 87 Q CA 0.756 56.616 55.803 0.095 0.000 0.957 87 Q CB 0.607 29.403 28.738 0.097 0.000 1.002 87 Q HN 0.554 nan 8.270 nan 0.000 0.502 88 G N 1.426 110.291 108.800 0.109 0.000 2.166 88 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 88 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 88 G C -0.220 174.813 174.900 0.222 0.000 0.986 88 G CA 0.405 45.567 45.100 0.104 0.000 0.683 88 G HN 0.452 nan 8.290 nan 0.000 0.527 89 E N -0.710 119.635 120.200 0.241 0.000 2.301 89 E HA 0.492 4.842 4.350 -0.000 0.000 0.275 89 E C -0.021 176.773 176.600 0.323 0.000 1.030 89 E CA -1.020 55.544 56.400 0.273 0.000 0.852 89 E CB 1.030 30.829 29.700 0.164 0.000 1.060 89 E HN 0.247 nan 8.360 nan 0.000 0.401 90 F N 3.429 123.462 119.950 0.139 0.000 2.506 90 F HA 0.036 4.563 4.527 -0.000 0.000 0.371 90 F C 0.934 176.588 175.800 -0.243 0.000 1.078 90 F CA -0.169 57.690 58.000 -0.235 0.000 1.195 90 F CB 0.679 39.583 39.000 -0.161 0.000 1.099 90 F HN 0.279 nan 8.300 nan 0.000 0.548 91 V N 3.479 122.790 119.914 -1.005 0.000 3.621 91 V HA 0.718 4.838 4.120 -0.000 0.000 0.263 91 V C 0.617 176.048 176.094 -1.105 0.000 1.272 91 V CA 0.775 62.485 62.300 -0.985 0.000 1.080 91 V CB -0.304 30.822 31.823 -1.161 0.000 0.816 91 V HN 1.180 nan 8.190 nan 0.000 0.451 92 G N -1.048 106.797 108.800 -1.591 0.000 2.321 92 G HA2 0.429 4.389 3.960 -0.000 0.000 0.298 92 G HA3 0.429 4.389 3.960 -0.000 0.000 0.298 92 G C -1.112 173.405 174.900 -0.638 0.000 1.385 92 G CA 0.124 44.676 45.100 -0.913 0.000 0.856 92 G HN 0.476 nan 8.290 nan 0.000 0.584 93 T N -0.177 114.292 114.554 -0.141 0.000 2.916 93 T HA 0.566 4.916 4.350 -0.000 0.000 0.298 93 T C -0.476 174.284 174.700 0.101 0.000 1.031 93 T CA -0.523 61.607 62.100 0.049 0.000 0.993 93 T CB 1.061 70.067 68.868 0.229 0.000 1.045 93 T HN 0.619 nan 8.240 nan 0.000 0.454 94 L N 5.789 127.090 121.223 0.130 0.000 2.387 94 L HA 0.372 4.712 4.340 -0.000 0.000 0.267 94 L C 0.682 177.645 176.870 0.154 0.000 1.197 94 L CA -0.232 54.737 54.840 0.214 0.000 1.070 94 L CB 0.010 42.237 42.059 0.280 0.000 1.349 94 L HN 0.704 nan 8.230 nan 0.000 0.422 95 D N -0.488 119.982 120.400 0.116 0.000 2.527 95 D HA -0.011 4.629 4.640 -0.000 0.000 0.224 95 D C 0.998 177.289 176.300 -0.014 0.000 1.217 95 D CA -0.198 53.830 54.000 0.047 0.000 0.819 95 D CB 0.435 41.266 40.800 0.050 0.000 1.061 95 D HN 0.135 nan 8.370 nan 0.000 0.515 96 K N 0.682 121.065 120.400 -0.028 0.000 2.314 96 K HA 0.388 4.708 4.320 -0.000 0.000 0.198 96 K C 0.856 177.200 176.600 -0.427 0.000 1.045 96 K CA 0.420 56.614 56.287 -0.154 0.000 0.988 96 K CB 1.172 33.612 32.500 -0.101 0.000 0.783 96 K HN 0.307 nan 8.250 nan 0.000 0.484 97 A N 0.111 122.681 122.820 -0.417 0.000 2.601 97 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 97 A C -1.327 176.163 177.584 -0.157 0.000 1.075 97 A CA -0.445 51.198 52.037 -0.656 0.000 0.671 97 A CB 0.702 18.727 19.000 -1.625 0.000 1.277 97 A HN 0.071 nan 8.150 nan 0.000 0.417 98 A N 0.462 123.233 122.820 -0.083 0.000 2.507 98 A HA 0.480 4.800 4.320 -0.000 0.000 0.235 98 A C 0.557 178.246 177.584 0.175 0.000 1.070 98 A CA 0.394 52.462 52.037 0.050 0.000 0.768 98 A CB -0.352 18.665 19.000 0.028 0.000 1.011 98 A HN 1.698 nan 8.150 nan 0.000 0.502 99 M N 3.722 123.354 119.600 0.052 0.000 2.260 99 M HA 0.205 4.685 4.480 -0.000 0.000 0.348 99 M C -1.990 174.135 176.300 -0.292 0.000 1.342 99 M CA -1.190 54.067 55.300 -0.071 0.000 1.040 99 M CB 0.286 32.802 32.600 -0.139 0.000 1.810 99 M HN 0.460 nan 8.290 nan 0.000 0.453 100 P HA 0.133 nan 4.420 nan 0.000 0.276 100 P C -1.301 175.428 177.300 -0.951 0.000 1.244 100 P CA -0.318 62.141 63.100 -1.068 0.000 0.801 100 P CB 0.566 31.016 31.700 -2.083 0.000 1.006 101 D N 1.063 121.095 120.400 -0.613 0.000 2.316 101 D HA 0.132 4.772 4.640 -0.000 0.000 0.245 101 D C 0.043 176.092 176.300 -0.419 0.000 1.171 101 D CA -0.357 53.385 54.000 -0.431 0.000 0.856 101 D CB -0.311 40.376 40.800 -0.189 0.000 1.090 101 D HN 0.229 nan 8.370 nan 0.000 0.476 102 F N 1.473 121.279 119.950 -0.239 0.000 2.731 102 F HA -0.026 4.501 4.527 -0.000 0.000 0.304 102 F C 2.311 178.103 175.800 -0.012 0.000 1.133 102 F CA -0.369 57.517 58.000 -0.190 0.000 1.380 102 F CB 0.295 39.222 39.000 -0.121 0.000 1.079 102 F HN 0.340 nan 8.300 nan 0.000 0.550 103 S N 0.013 115.809 115.700 0.159 0.000 2.515 103 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 103 S C 2.027 176.722 174.600 0.158 0.000 0.987 103 S CA 0.558 58.860 58.200 0.171 0.000 0.936 103 S CB -0.191 63.143 63.200 0.222 0.000 0.766 103 S HN 0.265 nan 8.310 nan 0.000 0.528 104 A N 1.075 123.984 122.820 0.147 0.000 2.172 104 A HA 0.313 4.633 4.320 -0.000 0.000 0.216 104 A C 0.904 178.654 177.584 0.277 0.000 1.154 104 A CA 0.382 52.487 52.037 0.113 0.000 0.701 104 A CB -0.548 18.531 19.000 0.131 0.000 0.789 104 A HN 0.427 nan 8.150 nan 0.000 0.465 105 V N 1.634 121.755 119.914 0.344 0.000 2.607 105 V HA 0.194 4.314 4.120 -0.000 0.000 0.289 105 V C 0.072 176.368 176.094 0.337 0.000 1.053 105 V CA -0.510 61.994 62.300 0.339 0.000 0.996 105 V CB 1.214 33.190 31.823 0.255 0.000 0.995 105 V HN 0.686 nan 8.190 nan 0.000 0.476 106 D N 2.864 123.395 120.400 0.218 0.000 2.455 106 D HA 0.014 4.654 4.640 -0.000 0.000 0.241 106 D C 1.180 177.426 176.300 -0.090 0.000 1.138 106 D CA 0.415 54.343 54.000 -0.120 0.000 0.877 106 D CB 1.105 41.724 40.800 -0.301 0.000 1.187 106 D HN 0.547 nan 8.370 nan 0.000 0.451 107 S N 2.049 117.664 115.700 -0.143 0.000 2.489 107 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 107 S C 1.244 175.807 174.600 -0.061 0.000 0.995 107 S CA 0.124 58.283 58.200 -0.068 0.000 0.934 107 S CB -0.147 63.005 63.200 -0.079 0.000 0.771 107 S HN 0.546 nan 8.310 nan 0.000 0.522 108 E N 1.910 122.053 120.200 -0.095 0.000 2.102 108 E HA 0.191 4.541 4.350 -0.000 0.000 0.190 108 E C 1.965 178.536 176.600 -0.049 0.000 0.971 108 E CA 1.122 57.482 56.400 -0.066 0.000 0.821 108 E CB -0.164 29.487 29.700 -0.083 0.000 0.777 108 E HN 0.855 nan 8.360 nan 0.000 0.460 109 I N -4.894 115.629 120.570 -0.079 0.000 4.557 109 I HA 0.464 4.634 4.170 -0.000 0.000 0.333 109 I C 1.047 177.137 176.117 -0.045 0.000 1.332 109 I CA 0.265 61.541 61.300 -0.040 0.000 1.240 109 I CB 0.768 38.721 38.000 -0.078 0.000 1.312 109 I HN 0.042 nan 8.210 nan 0.000 0.457 110 G N 3.016 111.776 108.800 -0.068 0.000 2.321 110 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.287 110 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.287 110 G C 0.763 175.619 174.900 -0.073 0.000 1.018 110 G CA 0.768 45.840 45.100 -0.047 0.000 0.855 110 G HN 0.899 nan 8.290 nan 0.000 0.507 111 V N -4.155 115.665 119.914 -0.155 0.000 3.623 111 V HA 0.715 4.835 4.120 -0.000 0.000 0.271 111 V C 1.043 177.026 176.094 -0.184 0.000 1.248 111 V CA 1.160 63.333 62.300 -0.211 0.000 1.156 111 V CB -0.134 31.463 31.823 -0.377 0.000 0.870 111 V HN 1.862 nan 8.190 nan 0.000 0.453 112 A N -0.632 122.133 122.820 -0.093 0.000 2.572 112 A HA 0.814 5.134 4.320 -0.000 0.000 0.295 112 A C -0.430 177.248 177.584 0.157 0.000 1.072 112 A CA -0.308 51.754 52.037 0.042 0.000 0.691 112 A CB 1.827 20.884 19.000 0.094 0.000 1.291 112 A HN 0.244 nan 8.150 nan 0.000 0.404 113 T N 1.492 116.172 114.554 0.211 0.000 2.921 113 T HA 0.470 4.820 4.350 -0.000 0.000 0.297 113 T C -0.957 173.890 174.700 0.245 0.000 1.013 113 T CA -0.352 61.900 62.100 0.254 0.000 0.990 113 T CB 1.275 70.259 68.868 0.194 0.000 1.023 113 T HN 0.720 nan 8.240 nan 0.000 0.447 114 L N 5.013 126.350 121.223 0.190 0.000 2.361 114 L HA 0.477 4.817 4.340 -0.000 0.000 0.278 114 L C 0.738 177.664 176.870 0.093 0.000 1.113 114 L CA 0.167 55.036 54.840 0.047 0.000 0.849 114 L CB 0.020 41.887 42.059 -0.321 0.000 1.155 114 L HN 0.787 nan 8.230 nan 0.000 0.452 115 I N 1.252 121.913 120.570 0.151 0.000 4.240 115 I HA 0.447 4.617 4.170 -0.000 0.000 0.331 115 I C 0.092 176.289 176.117 0.133 0.000 1.381 115 I CA -0.205 61.211 61.300 0.193 0.000 1.136 115 I CB 0.162 38.343 38.000 0.301 0.000 1.137 115 I HN 0.584 nan 8.210 nan 0.000 0.411 116 N N 1.266 120.003 118.700 0.062 0.000 2.745 116 N HA 0.303 5.043 4.740 -0.000 0.000 0.256 116 N C -2.655 172.813 175.510 -0.070 0.000 1.268 116 N CA -1.090 51.915 53.050 -0.075 0.000 0.887 116 N CB 2.332 40.638 38.487 -0.303 0.000 1.575 116 N HN -0.360 nan 8.380 nan 0.000 0.496 117 P HA -0.019 nan 4.420 nan 0.000 0.226 117 P C 0.402 177.601 177.300 -0.168 0.000 1.146 117 P CA 1.291 64.305 63.100 -0.143 0.000 0.773 117 P CB 0.336 31.971 31.700 -0.107 0.000 0.772 118 Q N -2.535 117.169 119.800 -0.161 0.000 2.171 118 Q HA 0.132 4.472 4.340 -0.000 0.000 0.218 118 Q C -0.801 174.912 176.000 -0.479 0.000 0.822 118 Q CA -0.053 55.550 55.803 -0.334 0.000 0.987 118 Q CB 0.506 28.960 28.738 -0.474 0.000 1.144 118 Q HN 0.225 nan 8.270 nan 0.000 0.494 119 Y N 0.231 120.525 120.300 -0.010 0.000 2.354 119 Y HA 0.353 4.903 4.550 -0.000 0.000 0.330 119 Y C -0.028 175.944 175.900 0.120 0.000 1.011 119 Y CA -1.287 56.870 58.100 0.096 0.000 1.099 119 Y CB 1.061 39.675 38.460 0.257 0.000 1.179 119 Y HN -0.020 nan 8.280 nan 0.000 0.442 120 I N 0.624 121.351 120.570 0.262 0.000 3.110 120 I HA 0.954 5.124 4.170 -0.000 0.000 0.314 120 I C -0.137 176.124 176.117 0.239 0.000 1.020 120 I CA -1.015 60.438 61.300 0.255 0.000 1.169 120 I CB 1.389 39.550 38.000 0.268 0.000 1.437 120 I HN 0.594 nan 8.210 nan 0.000 0.595 121 A N 2.222 125.171 122.820 0.216 0.000 2.374 121 A HA 0.780 5.100 4.320 -0.000 0.000 0.305 121 A C -0.466 177.179 177.584 0.102 0.000 1.053 121 A CA -0.333 51.797 52.037 0.156 0.000 0.726 121 A CB 1.603 20.784 19.000 0.300 0.000 1.229 121 A HN 0.829 nan 8.150 nan 0.000 0.431 122 S N -0.031 115.651 115.700 -0.031 0.000 2.800 122 S HA 0.697 5.167 4.470 -0.000 0.000 0.293 122 S C -1.091 173.308 174.600 -0.335 0.000 1.209 122 S CA 0.247 58.419 58.200 -0.047 0.000 0.884 122 S CB 0.950 64.250 63.200 0.166 0.000 1.244 122 S HN 1.931 nan 8.310 nan 0.000 0.540 123 V N 2.125 121.793 119.914 -0.409 0.000 2.532 123 V HA 0.612 4.732 4.120 -0.000 0.000 0.295 123 V C 1.199 176.821 176.094 -0.786 0.000 1.041 123 V CA 0.011 62.036 62.300 -0.459 0.000 0.926 123 V CB 1.142 32.770 31.823 -0.326 0.000 0.992 123 V HN 1.065 nan 8.190 nan 0.000 0.457 124 K N 2.733 122.792 120.400 -0.568 0.000 2.209 124 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 124 K C 1.662 178.151 176.600 -0.185 0.000 1.048 124 K CA 1.879 57.911 56.287 -0.424 0.000 0.940 124 K CB -0.457 31.970 32.500 -0.123 0.000 0.729 124 K HN 1.002 nan 8.250 nan 0.000 0.451 125 H N -0.475 118.506 119.070 -0.149 0.000 2.559 125 H HA 0.056 4.612 4.556 -0.000 0.000 0.273 125 H C -0.297 175.007 175.328 -0.040 0.000 1.000 125 H CA 0.164 56.169 56.048 -0.072 0.000 1.195 125 H CB -0.220 29.506 29.762 -0.060 0.000 1.368 125 H HN 0.095 nan 8.280 nan 0.000 0.592 126 N N 1.640 120.151 118.700 -0.315 0.000 2.605 126 N HA 0.070 4.810 4.740 -0.000 0.000 0.258 126 N C 1.045 176.638 175.510 0.140 0.000 1.156 126 N CA 0.372 53.373 53.050 -0.082 0.000 1.008 126 N CB 0.837 39.276 38.487 -0.080 0.000 1.354 126 N HN 0.569 nan 8.380 nan 0.000 0.509 127 G N -0.170 108.695 108.800 0.110 0.000 2.887 127 G HA2 0.035 3.995 3.960 -0.000 0.000 0.211 127 G HA3 0.035 3.995 3.960 -0.000 0.000 0.211 127 G C 1.235 176.177 174.900 0.070 0.000 1.152 127 G CA 0.181 45.338 45.100 0.095 0.000 0.769 127 G HN 0.510 nan 8.290 nan 0.000 0.541 128 G N 0.526 109.385 108.800 0.100 0.000 2.447 128 G HA2 0.142 4.102 3.960 -0.000 0.000 0.211 128 G HA3 0.142 4.102 3.960 -0.000 0.000 0.211 128 G C 0.814 175.744 174.900 0.050 0.000 1.184 128 G CA 0.141 45.275 45.100 0.058 0.000 0.813 128 G HN 0.547 nan 8.290 nan 0.000 0.540 129 Y N 1.481 121.735 120.300 -0.076 0.000 2.904 129 Y HA 0.263 4.813 4.550 -0.000 0.000 0.336 129 Y C 1.319 177.181 175.900 -0.064 0.000 1.263 129 Y CA 0.317 58.359 58.100 -0.096 0.000 1.547 129 Y CB 0.545 38.924 38.460 -0.136 0.000 1.272 129 Y HN 0.027 nan 8.280 nan 0.000 0.596 130 T N -0.174 114.308 114.554 -0.119 0.000 3.044 130 T HA 0.271 4.621 4.350 -0.000 0.000 0.260 130 T C -0.533 174.082 174.700 -0.141 0.000 1.019 130 T CA 0.097 62.080 62.100 -0.196 0.000 0.921 130 T CB -0.719 68.083 68.868 -0.110 0.000 1.053 130 T HN 0.931 nan 8.240 nan 0.000 0.533 131 N N 0.086 118.762 118.700 -0.040 0.000 2.823 131 N HA 0.561 5.301 4.740 -0.000 0.000 0.251 131 N C -1.352 174.207 175.510 0.082 0.000 1.392 131 N CA -0.659 52.399 53.050 0.013 0.000 0.864 131 N CB 1.923 40.404 38.487 -0.009 0.000 1.481 131 N HN 0.227 nan 8.380 nan 0.000 0.508 132 V N -3.211 116.726 119.914 0.037 0.000 3.159 132 V HA 0.931 5.051 4.120 -0.000 0.000 0.308 132 V C -0.748 175.217 176.094 -0.216 0.000 1.190 132 V CA -0.690 61.542 62.300 -0.114 0.000 1.037 132 V CB 1.588 33.305 31.823 -0.178 0.000 1.060 132 V HN 0.800 nan 8.190 nan 0.000 0.437 133 S N 1.046 116.500 115.700 -0.409 0.000 2.568 133 S HA 0.923 5.393 4.470 -0.000 0.000 0.293 133 S C -1.280 172.922 174.600 -0.664 0.000 1.089 133 S CA -0.288 57.720 58.200 -0.321 0.000 0.945 133 S CB 1.543 64.656 63.200 -0.145 0.000 1.077 133 S HN 0.614 nan 8.310 nan 0.000 0.485 134 F N 0.675 120.665 119.950 0.067 0.000 2.579 134 F HA 0.716 5.243 4.527 -0.000 0.000 0.324 134 F C 1.291 176.972 175.800 -0.197 0.000 1.058 134 F CA 0.242 58.211 58.000 -0.053 0.000 0.944 134 F CB 1.112 40.084 39.000 -0.048 0.000 1.245 134 F HN 0.825 nan 8.300 nan 0.000 0.477 135 G N 1.910 110.548 108.800 -0.270 0.000 3.181 135 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.322 135 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.322 135 G C 0.680 175.248 174.900 -0.554 0.000 1.246 135 G CA 0.827 45.267 45.100 -1.101 0.000 0.989 135 G HN 0.799 nan 8.290 nan 0.000 0.607 136 D N 1.219 121.493 120.400 -0.210 0.000 2.369 136 D HA 0.416 5.056 4.640 -0.000 0.000 0.211 136 D C 1.809 178.126 176.300 0.028 0.000 1.077 136 D CA 1.282 55.301 54.000 0.031 0.000 0.842 136 D CB -0.051 40.859 40.800 0.183 0.000 0.947 136 D HN 2.086 nan 8.370 nan 0.000 0.509 137 G N 0.462 109.261 108.800 -0.002 0.000 2.194 137 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.236 137 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.236 137 G C 0.241 175.161 174.900 0.033 0.000 0.987 137 G CA -0.131 44.971 45.100 0.003 0.000 0.635 137 G HN 0.363 nan 8.290 nan 0.000 0.520 138 E N 1.393 121.633 120.200 0.067 0.000 2.261 138 E HA 0.337 4.687 4.350 -0.000 0.000 0.308 138 E C 0.388 177.028 176.600 0.066 0.000 1.400 138 E CA 0.567 57.010 56.400 0.071 0.000 1.542 138 E CB -0.485 29.275 29.700 0.100 0.000 1.369 138 E HN 0.848 nan 8.360 nan 0.000 0.493 139 N N 0.108 118.832 118.700 0.040 0.000 3.355 139 N HA 0.276 5.016 4.740 -0.000 0.000 0.238 139 N C -1.176 174.299 175.510 -0.058 0.000 1.466 139 N CA -1.028 52.020 53.050 -0.003 0.000 0.882 139 N CB 1.194 39.760 38.487 0.132 0.000 1.406 139 N HN 0.046 nan 8.380 nan 0.000 0.500 140 R N 0.092 120.460 120.500 -0.219 0.000 2.522 140 R HA 0.419 4.759 4.340 -0.000 0.000 0.273 140 R C -2.084 174.007 176.300 -0.348 0.000 1.133 140 R CA -0.585 55.418 56.100 -0.162 0.000 0.969 140 R CB 0.976 31.210 30.300 -0.110 0.000 1.235 140 R HN 0.682 nan 8.270 nan 0.000 0.433 141 Y N 2.782 123.099 120.300 0.029 0.000 2.331 141 Y HA 0.427 4.977 4.550 -0.000 0.000 0.334 141 Y C -0.071 175.827 175.900 -0.004 0.000 0.960 141 Y CA -0.814 57.315 58.100 0.048 0.000 1.130 141 Y CB 1.981 40.532 38.460 0.151 0.000 1.164 141 Y HN 0.452 nan 8.280 nan 0.000 0.458 142 N N 3.697 122.437 118.700 0.066 0.000 2.456 142 N HA 0.427 5.167 4.740 -0.000 0.000 0.296 142 N C -0.725 174.768 175.510 -0.029 0.000 1.102 142 N CA -0.624 52.422 53.050 -0.006 0.000 0.924 142 N CB 2.179 40.641 38.487 -0.041 0.000 1.186 142 N HN 0.560 nan 8.380 nan 0.000 0.492 143 I N 1.456 121.975 120.570 -0.085 0.000 2.471 143 I HA -0.055 4.115 4.170 -0.000 0.000 0.286 143 I C 1.614 177.670 176.117 -0.102 0.000 1.079 143 I CA -0.217 61.007 61.300 -0.127 0.000 1.398 143 I CB 0.903 38.758 38.000 -0.241 0.000 1.403 143 I HN 0.435 nan 8.210 nan 0.000 0.530 144 V N 0.977 120.839 119.914 -0.087 0.000 3.645 144 V HA 0.361 4.481 4.120 -0.000 0.000 0.275 144 V C -0.001 176.063 176.094 -0.050 0.000 1.356 144 V CA 0.380 62.641 62.300 -0.065 0.000 1.051 144 V CB 0.448 32.238 31.823 -0.055 0.000 0.828 144 V HN 0.775 nan 8.190 nan 0.000 0.441 145 D N 0.023 120.392 120.400 -0.053 0.000 2.613 145 D HA 0.336 4.976 4.640 -0.000 0.000 0.230 145 D C 1.014 177.278 176.300 -0.061 0.000 1.365 145 D CA -0.444 53.540 54.000 -0.026 0.000 0.976 145 D CB 1.797 42.607 40.800 0.018 0.000 1.415 145 D HN 0.035 nan 8.370 nan 0.000 0.589 146 R N 1.960 122.405 120.500 -0.091 0.000 2.185 146 R HA -0.137 4.203 4.340 -0.000 0.000 0.247 146 R C 0.226 176.473 176.300 -0.087 0.000 1.159 146 R CA 0.577 56.579 56.100 -0.163 0.000 0.988 146 R CB -0.384 29.871 30.300 -0.074 0.000 0.871 146 R HN 0.456 nan 8.270 nan 0.000 0.458 147 N N 1.497 120.223 118.700 0.044 0.000 2.714 147 N HA -0.139 4.601 4.740 -0.000 0.000 0.252 147 N C -1.169 174.528 175.510 0.312 0.000 1.014 147 N CA 0.706 53.848 53.050 0.153 0.000 0.735 147 N CB -1.305 37.263 38.487 0.136 0.000 0.924 147 N HN 0.272 nan 8.380 nan 0.000 0.540 148 N N 0.514 119.366 118.700 0.254 0.000 2.357 148 N HA 0.134 4.874 4.740 -0.000 0.000 0.257 148 N C 0.548 176.185 175.510 0.212 0.000 1.250 148 N CA 0.447 53.638 53.050 0.235 0.000 0.862 148 N CB 0.417 38.991 38.487 0.146 0.000 1.066 148 N HN 0.404 nan 8.380 nan 0.000 0.468 149 A N 4.349 127.118 122.820 -0.086 0.000 2.450 149 A HA 0.262 4.582 4.320 -0.000 0.000 0.255 149 A C -0.958 176.527 177.584 -0.164 0.000 1.096 149 A CA -0.968 50.759 52.037 -0.518 0.000 0.778 149 A CB 0.376 18.893 19.000 -0.804 0.000 1.031 149 A HN 0.530 nan 8.150 nan 0.000 0.494 150 P HA -0.017 nan 4.420 nan 0.000 0.224 150 P C 0.841 178.115 177.300 -0.042 0.000 1.157 150 P CA 1.150 64.235 63.100 -0.025 0.000 0.799 150 P CB 0.441 32.152 31.700 0.018 0.000 0.809 151 S N -1.098 114.557 115.700 -0.075 0.000 2.512 151 S HA 0.188 4.658 4.470 -0.000 0.000 0.216 151 S C 0.557 175.116 174.600 -0.068 0.000 1.006 151 S CA -0.242 57.923 58.200 -0.058 0.000 0.915 151 S CB -0.034 63.135 63.200 -0.051 0.000 0.824 151 S HN 0.019 nan 8.310 nan 0.000 0.497 152 L N 2.468 123.630 121.223 -0.103 0.000 2.334 152 L HA 0.532 4.872 4.340 -0.000 0.000 0.276 152 L C -0.878 175.978 176.870 -0.022 0.000 1.014 152 L CA -0.470 54.323 54.840 -0.078 0.000 0.815 152 L CB 1.401 43.377 42.059 -0.139 0.000 1.268 152 L HN -0.171 nan 8.230 nan 0.000 0.428 153 D N 4.361 124.771 120.400 0.017 0.000 2.489 153 D HA 0.181 4.821 4.640 -0.000 0.000 0.237 153 D C -1.438 174.919 176.300 0.094 0.000 1.212 153 D CA 0.706 54.733 54.000 0.046 0.000 1.058 153 D CB -0.678 40.169 40.800 0.078 0.000 1.098 153 D HN 0.351 nan 8.370 nan 0.000 0.509 154 F N 3.330 123.197 119.950 -0.138 0.000 2.680 154 F HA 0.242 4.769 4.527 -0.000 0.000 0.315 154 F C -1.677 174.096 175.800 -0.045 0.000 1.099 154 F CA -0.675 57.252 58.000 -0.121 0.000 1.033 154 F CB 0.768 39.695 39.000 -0.121 0.000 1.285 154 F HN 0.337 nan 8.300 nan 0.000 0.457 155 H N 3.091 121.600 119.070 -0.934 0.000 2.985 155 H HA 0.905 5.461 4.556 -0.000 0.000 0.360 155 H C -1.770 173.190 175.328 -0.613 0.000 1.221 155 H CA -1.308 54.437 56.048 -0.505 0.000 1.121 155 H CB 2.221 31.891 29.762 -0.152 0.000 1.854 155 H HN 0.878 nan 8.280 nan 0.000 0.551 156 A N 2.368 125.227 122.820 0.065 0.000 3.317 156 A HA 0.346 4.666 4.320 -0.000 0.000 0.307 156 A C -2.954 174.722 177.584 0.152 0.000 1.003 156 A CA -1.503 50.608 52.037 0.124 0.000 0.882 156 A CB -0.089 19.081 19.000 0.283 0.000 1.136 156 A HN 0.428 nan 8.150 nan 0.000 0.488 157 P HA 0.004 nan 4.420 nan 0.000 0.261 157 P C -0.033 177.328 177.300 0.102 0.000 1.183 157 P CA 0.285 63.349 63.100 -0.060 0.000 0.761 157 P CB 0.259 31.793 31.700 -0.277 0.000 0.785 158 R N 4.086 124.633 120.500 0.078 0.000 2.347 158 R HA 0.241 4.581 4.340 -0.000 0.000 0.304 158 R C -0.102 176.092 176.300 -0.177 0.000 1.072 158 R CA -0.334 55.665 56.100 -0.168 0.000 0.980 158 R CB -0.054 30.201 30.300 -0.076 0.000 0.986 158 R HN 0.465 nan 8.270 nan 0.000 0.448 159 L N 3.032 124.117 121.223 -0.231 0.000 2.431 159 L HA 0.149 4.489 4.340 -0.000 0.000 0.260 159 L C 1.481 178.295 176.870 -0.094 0.000 1.098 159 L CA -0.713 54.068 54.840 -0.098 0.000 0.800 159 L CB 0.981 43.035 42.059 -0.009 0.000 1.210 159 L HN 0.769 nan 8.230 nan 0.000 0.465 160 D N -0.444 119.938 120.400 -0.031 0.000 2.149 160 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 160 D C 0.231 176.482 176.300 -0.081 0.000 0.972 160 D CA 1.309 55.273 54.000 -0.060 0.000 0.835 160 D CB 0.195 40.957 40.800 -0.063 0.000 0.966 160 D HN 0.188 nan 8.370 nan 0.000 0.476 161 K N 0.047 120.436 120.400 -0.019 0.000 2.400 161 K HA 0.427 4.747 4.320 -0.000 0.000 0.246 161 K C -0.176 176.447 176.600 0.039 0.000 0.995 161 K CA -0.939 55.279 56.287 -0.115 0.000 0.840 161 K CB 2.450 34.710 32.500 -0.400 0.000 1.293 161 K HN 0.032 nan 8.250 nan 0.000 0.445 162 L N 2.013 123.244 121.223 0.013 0.000 2.410 162 L HA 0.123 4.463 4.340 -0.000 0.000 0.273 162 L C 0.247 177.236 176.870 0.199 0.000 1.144 162 L CA -0.657 54.221 54.840 0.062 0.000 0.863 162 L CB 0.403 42.509 42.059 0.078 0.000 1.140 162 L HN 0.161 nan 8.230 nan 0.000 0.463 163 V N 3.052 122.897 119.914 -0.114 0.000 2.655 163 V HA 0.015 4.135 4.120 -0.000 0.000 0.300 163 V C 1.257 177.323 176.094 -0.046 0.000 1.044 163 V CA 0.577 62.676 62.300 -0.335 0.000 1.095 163 V CB 1.130 32.527 31.823 -0.711 0.000 0.952 163 V HN 1.023 nan 8.190 nan 0.000 0.485 164 T N 0.062 114.673 114.554 0.096 0.000 2.999 164 T HA 0.079 4.429 4.350 -0.000 0.000 0.247 164 T C 1.268 176.005 174.700 0.061 0.000 1.012 164 T CA 0.067 62.207 62.100 0.067 0.000 1.048 164 T CB 0.009 68.905 68.868 0.048 0.000 1.020 164 T HN 0.510 nan 8.240 nan 0.000 0.478 165 E N 1.878 122.149 120.200 0.119 0.000 2.204 165 E HA 0.086 4.436 4.350 -0.000 0.000 0.195 165 E C 0.949 177.646 176.600 0.162 0.000 0.990 165 E CA 0.886 57.396 56.400 0.183 0.000 0.821 165 E CB -0.134 29.723 29.700 0.262 0.000 0.750 165 E HN 0.718 nan 8.360 nan 0.000 0.477 166 V N -3.713 116.203 119.914 0.003 0.000 3.007 166 V HA 0.810 4.930 4.120 -0.000 0.000 0.311 166 V C -0.471 175.569 176.094 -0.091 0.000 1.120 166 V CA -1.346 60.946 62.300 -0.014 0.000 0.980 166 V CB 1.806 33.584 31.823 -0.074 0.000 1.033 166 V HN -0.048 nan 8.190 nan 0.000 0.429 167 A N 3.921 126.718 122.820 -0.039 0.000 2.388 167 A HA 0.769 5.089 4.320 -0.000 0.000 0.257 167 A C -2.049 175.493 177.584 -0.069 0.000 1.095 167 A CA -1.316 50.692 52.037 -0.048 0.000 0.791 167 A CB -0.275 18.721 19.000 -0.007 0.000 1.029 167 A HN 0.865 nan 8.150 nan 0.000 0.489 168 P HA 0.095 nan 4.420 nan 0.000 0.272 168 P C 0.178 177.509 177.300 0.053 0.000 1.223 168 P CA 0.057 63.138 63.100 -0.032 0.000 0.784 168 P CB 0.458 32.142 31.700 -0.027 0.000 0.923 169 T N 0.704 115.335 114.554 0.128 0.000 2.898 169 T HA 0.416 4.766 4.350 -0.000 0.000 0.301 169 T C 0.265 175.076 174.700 0.185 0.000 1.049 169 T CA -0.362 61.861 62.100 0.204 0.000 1.095 169 T CB -0.116 68.986 68.868 0.389 0.000 0.976 169 T HN 0.481 nan 8.240 nan 0.000 0.539 170 A N 3.269 126.199 122.820 0.182 0.000 2.445 170 A HA 0.532 4.852 4.320 -0.000 0.000 0.242 170 A C 0.512 178.209 177.584 0.188 0.000 1.075 170 A CA -0.346 51.786 52.037 0.159 0.000 0.777 170 A CB -0.098 18.981 19.000 0.131 0.000 1.013 170 A HN 1.131 nan 8.150 nan 0.000 0.493 171 V N 0.243 120.251 119.914 0.156 0.000 3.093 171 V HA 0.746 4.866 4.120 -0.000 0.000 0.320 171 V C 0.650 176.819 176.094 0.125 0.000 1.093 171 V CA -0.153 62.233 62.300 0.143 0.000 1.016 171 V CB 1.062 32.964 31.823 0.131 0.000 1.096 171 V HN 1.206 nan 8.190 nan 0.000 0.452 172 T N 1.669 116.288 114.554 0.108 0.000 2.830 172 T HA 0.104 4.454 4.350 -0.000 0.000 0.282 172 T C 1.282 176.064 174.700 0.136 0.000 1.024 172 T CA 0.667 62.852 62.100 0.143 0.000 1.144 172 T CB 0.273 69.229 68.868 0.146 0.000 1.035 172 T HN 1.626 nan 8.240 nan 0.000 0.507 173 A N 4.106 127.014 122.820 0.147 0.000 2.066 173 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 173 A C 2.307 179.948 177.584 0.095 0.000 1.157 173 A CA 1.249 53.344 52.037 0.097 0.000 0.670 173 A CB -0.224 18.813 19.000 0.062 0.000 0.804 173 A HN 0.950 nan 8.150 nan 0.000 0.453 174 Q N -1.609 118.279 119.800 0.146 0.000 2.304 174 Q HA 0.327 4.667 4.340 -0.000 0.000 0.204 174 Q C 1.420 177.483 176.000 0.105 0.000 0.936 174 Q CA 0.374 56.244 55.803 0.112 0.000 0.878 174 Q CB 0.057 28.858 28.738 0.105 0.000 0.983 174 Q HN 0.721 nan 8.270 nan 0.000 0.516 175 G N 1.294 110.189 108.800 0.158 0.000 2.528 175 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.262 175 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.262 175 G C 0.060 175.046 174.900 0.143 0.000 1.200 175 G CA -0.171 44.991 45.100 0.103 0.000 0.951 175 G HN 0.547 nan 8.290 nan 0.000 0.566 176 A N -0.264 122.587 122.820 0.051 0.000 3.074 176 A HA 0.560 4.880 4.320 -0.000 0.000 0.251 176 A C 0.454 178.051 177.584 0.022 0.000 1.695 176 A CA 0.691 52.749 52.037 0.034 0.000 1.343 176 A CB -0.491 18.490 19.000 -0.033 0.000 1.078 176 A HN 1.542 nan 8.150 nan 0.000 0.644 177 V N 1.585 121.513 119.914 0.022 0.000 2.364 177 V HA 0.416 4.536 4.120 -0.000 0.000 0.272 177 V C 0.939 177.001 176.094 -0.053 0.000 1.036 177 V CA -0.421 61.860 62.300 -0.032 0.000 0.880 177 V CB 0.831 32.617 31.823 -0.061 0.000 0.991 177 V HN 0.744 nan 8.190 nan 0.000 0.460 178 A N 4.429 127.232 122.820 -0.027 0.000 2.545 178 A HA 0.471 4.791 4.320 -0.000 0.000 0.253 178 A C 1.580 179.148 177.584 -0.028 0.000 1.074 178 A CA 0.766 52.795 52.037 -0.013 0.000 0.760 178 A CB -0.623 18.376 19.000 -0.001 0.000 1.005 178 A HN 2.119 nan 8.150 nan 0.000 0.506 179 G N 1.218 110.009 108.800 -0.015 0.000 2.179 179 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.260 179 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.260 179 G C 1.210 176.063 174.900 -0.078 0.000 0.977 179 G CA 1.107 46.196 45.100 -0.019 0.000 0.641 179 G HN 1.997 nan 8.290 nan 0.000 0.533 180 A N -0.424 122.252 122.820 -0.239 0.000 1.972 180 A HA 0.209 4.529 4.320 -0.000 0.000 0.219 180 A C 1.750 179.138 177.584 -0.327 0.000 1.169 180 A CA 1.941 53.754 52.037 -0.374 0.000 0.635 180 A CB -0.396 18.211 19.000 -0.654 0.000 0.810 180 A HN 0.861 nan 8.150 nan 0.000 0.446 181 Y N -1.618 118.744 120.300 0.104 0.000 2.470 181 Y HA 0.272 4.822 4.550 -0.000 0.000 0.284 181 Y C 1.477 177.476 175.900 0.164 0.000 1.188 181 Y CA -0.331 57.827 58.100 0.097 0.000 1.269 181 Y CB 0.280 38.680 38.460 -0.100 0.000 1.094 181 Y HN 0.220 nan 8.280 nan 0.000 0.518 182 L N -0.187 121.144 121.223 0.181 0.000 2.515 182 L HA 0.106 4.446 4.340 -0.000 0.000 0.223 182 L C 0.332 177.312 176.870 0.183 0.000 1.079 182 L CA 0.666 55.602 54.840 0.160 0.000 0.857 182 L CB -0.040 42.073 42.059 0.089 0.000 1.050 182 L HN 0.033 nan 8.230 nan 0.000 0.476 183 D N 0.324 120.835 120.400 0.186 0.000 2.385 183 D HA -0.053 4.587 4.640 -0.000 0.000 0.260 183 D C 1.177 177.585 176.300 0.179 0.000 1.326 183 D CA 0.416 54.499 54.000 0.137 0.000 1.023 183 D CB 0.530 41.372 40.800 0.070 0.000 1.083 183 D HN 0.139 nan 8.370 nan 0.000 0.517 184 K N 2.247 122.741 120.400 0.156 0.000 2.211 184 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 184 K C 1.636 178.275 176.600 0.065 0.000 1.047 184 K CA 0.746 57.120 56.287 0.146 0.000 0.935 184 K CB 0.243 32.821 32.500 0.130 0.000 0.728 184 K HN 0.505 nan 8.250 nan 0.000 0.452 185 E N 0.872 121.086 120.200 0.023 0.000 2.031 185 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 185 E C 2.214 178.753 176.600 -0.101 0.000 0.994 185 E CA 1.084 57.468 56.400 -0.027 0.000 0.800 185 E CB 0.134 29.815 29.700 -0.032 0.000 0.752 185 E HN 0.176 nan 8.360 nan 0.000 0.447 186 R N -0.600 119.788 120.500 -0.186 0.000 2.073 186 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 186 R C 0.171 176.102 176.300 -0.615 0.000 1.120 186 R CA 0.972 56.788 56.100 -0.474 0.000 0.967 186 R CB 0.188 30.061 30.300 -0.710 0.000 0.862 186 R HN 0.141 nan 8.270 nan 0.000 0.436 187 Y N 0.132 120.398 120.300 -0.057 0.000 2.749 187 Y HA 0.303 4.853 4.550 -0.000 0.000 0.343 187 Y C -1.736 174.102 175.900 -0.104 0.000 1.015 187 Y CA -2.224 55.782 58.100 -0.158 0.000 1.270 187 Y CB 1.743 40.102 38.460 -0.169 0.000 1.097 187 Y HN 0.107 nan 8.280 nan 0.000 0.571 188 P HA -0.097 nan 4.420 nan 0.000 0.219 188 P C 0.222 177.562 177.300 0.067 0.000 1.150 188 P CA 0.982 64.114 63.100 0.053 0.000 0.814 188 P CB 1.165 32.873 31.700 0.015 0.000 0.787 189 V N -1.215 118.645 119.914 -0.089 0.000 3.087 189 V HA 0.559 4.679 4.120 -0.000 0.000 0.306 189 V C -1.855 174.101 176.094 -0.229 0.000 1.187 189 V CA -1.076 61.227 62.300 0.005 0.000 0.999 189 V CB 2.275 34.144 31.823 0.076 0.000 1.049 189 V HN -0.249 nan 8.190 nan 0.000 0.431 190 F N 5.460 125.583 119.950 0.289 0.000 2.539 190 F HA 0.728 5.255 4.527 -0.000 0.000 0.318 190 F C -0.968 175.187 175.800 0.591 0.000 1.135 190 F CA -0.556 57.645 58.000 0.335 0.000 0.915 190 F CB 1.877 40.950 39.000 0.122 0.000 1.176 190 F HN 0.357 nan 8.300 nan 0.000 0.440 191 Y N 1.797 122.488 120.300 0.652 0.000 2.509 191 Y HA 0.788 5.338 4.550 -0.000 0.000 0.341 191 Y C -0.056 176.132 175.900 0.481 0.000 1.038 191 Y CA -1.970 56.473 58.100 0.571 0.000 1.089 191 Y CB 2.126 40.980 38.460 0.658 0.000 1.241 191 Y HN 0.629 nan 8.280 nan 0.000 0.468 192 R N 2.045 122.848 120.500 0.505 0.000 2.817 192 R HA 0.967 5.307 4.340 -0.000 0.000 0.268 192 R C -2.045 174.320 176.300 0.109 0.000 1.027 192 R CA -1.087 55.187 56.100 0.290 0.000 0.928 192 R CB 2.371 32.831 30.300 0.266 0.000 1.228 192 R HN 0.676 nan 8.270 nan 0.000 0.469 193 L N -2.386 118.836 121.223 -0.002 0.000 2.582 193 L HA 0.982 5.322 4.340 -0.000 0.000 0.257 193 L C -0.870 175.970 176.870 -0.051 0.000 0.974 193 L CA -0.645 54.150 54.840 -0.075 0.000 0.851 193 L CB 2.284 44.201 42.059 -0.237 0.000 1.424 193 L HN 1.007 nan 8.230 nan 0.000 0.412 194 G N -0.203 108.564 108.800 -0.056 0.000 2.506 194 G HA2 0.473 4.433 3.960 -0.000 0.000 0.292 194 G HA3 0.473 4.433 3.960 -0.000 0.000 0.292 194 G C -0.680 174.170 174.900 -0.083 0.000 1.425 194 G CA -0.029 45.032 45.100 -0.064 0.000 0.788 194 G HN 1.184 nan 8.290 nan 0.000 0.490 195 S N -0.661 114.980 115.700 -0.099 0.000 2.711 195 S HA 0.541 5.011 4.470 -0.000 0.000 0.247 195 S C 0.987 175.410 174.600 -0.294 0.000 1.079 195 S CA 0.472 58.571 58.200 -0.167 0.000 1.050 195 S CB 0.305 63.459 63.200 -0.077 0.000 0.885 195 S HN 1.428 nan 8.310 nan 0.000 0.498 196 G N 1.261 109.889 108.800 -0.287 0.000 2.716 196 G HA2 0.365 4.325 3.960 -0.000 0.000 0.251 196 G HA3 0.365 4.325 3.960 -0.000 0.000 0.251 196 G C -0.031 174.613 174.900 -0.426 0.000 1.224 196 G CA -0.410 44.466 45.100 -0.373 0.000 0.891 196 G HN 0.366 nan 8.290 nan 0.000 0.561 197 T N 1.552 115.850 114.554 -0.427 0.000 2.819 197 T HA 0.043 4.393 4.350 -0.000 0.000 0.282 197 T C 0.147 174.547 174.700 -0.499 0.000 1.013 197 T CA 0.695 62.508 62.100 -0.478 0.000 1.159 197 T CB 0.149 68.787 68.868 -0.382 0.000 1.007 197 T HN 0.377 nan 8.240 nan 0.000 0.514 198 Q N 2.982 122.422 119.800 -0.600 0.000 2.325 198 Q HA 0.412 4.752 4.340 -0.000 0.000 0.262 198 Q C -0.925 174.868 176.000 -0.345 0.000 0.968 198 Q CA -0.309 55.287 55.803 -0.345 0.000 0.877 198 Q CB 1.494 30.084 28.738 -0.247 0.000 1.253 198 Q HN 0.702 nan 8.270 nan 0.000 0.448 199 Y N 0.979 121.277 120.300 -0.004 0.000 2.602 199 Y HA 0.625 5.175 4.550 -0.000 0.000 0.342 199 Y C 0.376 176.283 175.900 0.012 0.000 1.029 199 Y CA -1.437 56.661 58.100 -0.003 0.000 1.080 199 Y CB 1.562 40.014 38.460 -0.012 0.000 1.284 199 Y HN 0.492 nan 8.280 nan 0.000 0.485 200 I N -0.622 120.055 120.570 0.178 0.000 2.474 200 I HA 0.687 4.857 4.170 -0.000 0.000 0.294 200 I C -1.075 175.097 176.117 0.092 0.000 1.005 200 I CA -1.020 60.338 61.300 0.098 0.000 1.113 200 I CB 2.004 40.036 38.000 0.054 0.000 1.289 200 I HN 0.440 nan 8.210 nan 0.000 0.436 201 K N 3.923 124.364 120.400 0.069 0.000 2.206 201 K HA 0.326 4.646 4.320 -0.000 0.000 0.264 201 K C -0.867 175.886 176.600 0.256 0.000 0.967 201 K CA -0.624 55.731 56.287 0.113 0.000 0.844 201 K CB 1.151 33.711 32.500 0.101 0.000 1.099 201 K HN 0.845 nan 8.250 nan 0.000 0.441 202 D N 1.549 122.075 120.400 0.209 0.000 2.411 202 D HA 0.071 4.711 4.640 -0.000 0.000 0.251 202 D C 0.743 177.099 176.300 0.094 0.000 1.201 202 D CA -0.364 53.784 54.000 0.247 0.000 0.996 202 D CB 0.794 41.657 40.800 0.104 0.000 1.101 202 D HN 0.308 nan 8.370 nan 0.000 0.504 203 S N -0.551 115.042 115.700 -0.177 0.000 2.408 203 S HA -0.233 4.237 4.470 -0.000 0.000 0.241 203 S C 1.104 175.505 174.600 -0.332 0.000 1.080 203 S CA 1.585 59.474 58.200 -0.517 0.000 1.109 203 S CB -0.605 62.428 63.200 -0.280 0.000 0.966 203 S HN 0.532 nan 8.310 nan 0.000 0.449 204 N N 0.592 119.194 118.700 -0.162 0.000 2.375 204 N HA 0.191 4.931 4.740 -0.000 0.000 0.220 204 N C 1.029 176.487 175.510 -0.087 0.000 1.170 204 N CA 0.750 53.732 53.050 -0.114 0.000 0.833 204 N CB 0.064 38.507 38.487 -0.073 0.000 1.069 204 N HN 0.521 nan 8.380 nan 0.000 0.479 205 G N 0.932 109.682 108.800 -0.084 0.000 2.180 205 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.263 205 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.263 205 G C 0.198 175.071 174.900 -0.044 0.000 0.989 205 G CA 0.576 45.644 45.100 -0.054 0.000 0.692 205 G HN 0.516 nan 8.290 nan 0.000 0.526 206 Q N -0.255 119.531 119.800 -0.024 0.000 2.314 206 Q HA 0.641 4.981 4.340 -0.000 0.000 0.258 206 Q C 0.199 176.195 176.000 -0.007 0.000 0.954 206 Q CA -0.297 55.494 55.803 -0.019 0.000 0.890 206 Q CB 0.482 29.216 28.738 -0.008 0.000 1.210 206 Q HN 0.373 nan 8.270 nan 0.000 0.410 207 L N 3.855 125.061 121.223 -0.028 0.000 2.313 207 L HA 0.507 4.847 4.340 -0.000 0.000 0.283 207 L C -0.741 176.168 176.870 0.065 0.000 1.013 207 L CA -0.643 54.183 54.840 -0.024 0.000 0.816 207 L CB 1.982 43.930 42.059 -0.185 0.000 1.236 207 L HN 0.723 nan 8.230 nan 0.000 0.419 208 T N 2.244 116.873 114.554 0.125 0.000 2.786 208 T HA 0.247 4.597 4.350 -0.000 0.000 0.283 208 T C -0.317 174.497 174.700 0.190 0.000 0.992 208 T CA -0.674 61.500 62.100 0.124 0.000 0.954 208 T CB 1.638 70.540 68.868 0.057 0.000 0.934 208 T HN 0.386 nan 8.240 nan 0.000 0.440 209 K N 3.821 124.312 120.400 0.151 0.000 2.276 209 K HA 0.312 4.632 4.320 -0.000 0.000 0.285 209 K C 0.917 177.473 176.600 -0.074 0.000 1.062 209 K CA -0.470 55.794 56.287 -0.037 0.000 0.918 209 K CB 0.432 32.876 32.500 -0.093 0.000 1.055 209 K HN 0.357 nan 8.250 nan 0.000 0.477 210 M N 2.146 121.687 119.600 -0.098 0.000 2.534 210 M HA 0.239 4.719 4.480 -0.000 0.000 0.263 210 M C 0.680 177.040 176.300 0.101 0.000 1.152 210 M CA 0.395 55.706 55.300 0.018 0.000 1.145 210 M CB 0.375 32.998 32.600 0.039 0.000 1.333 210 M HN 0.814 nan 8.290 nan 0.000 0.477 211 G N -0.903 107.822 108.800 -0.125 0.000 2.579 211 G HA2 0.506 4.466 3.960 -0.000 0.000 0.292 211 G HA3 0.506 4.466 3.960 -0.000 0.000 0.292 211 G C -0.670 173.962 174.900 -0.446 0.000 1.484 211 G CA -0.462 44.488 45.100 -0.251 0.000 0.813 211 G HN 0.265 nan 8.290 nan 0.000 0.515 212 G N -0.640 107.944 108.800 -0.360 0.000 2.651 212 G HA2 0.651 4.611 3.960 -0.000 0.000 0.260 212 G HA3 0.651 4.611 3.960 -0.000 0.000 0.260 212 G C 0.746 175.354 174.900 -0.487 0.000 1.216 212 G CA 0.563 45.440 45.100 -0.371 0.000 0.913 212 G HN 1.585 nan 8.290 nan 0.000 0.535 213 A N -1.230 121.288 122.820 -0.504 0.000 2.425 213 A HA 0.514 4.834 4.320 -0.000 0.000 0.242 213 A C -0.007 177.246 177.584 -0.551 0.000 1.077 213 A CA 0.110 51.718 52.037 -0.715 0.000 0.781 213 A CB -0.288 18.074 19.000 -1.065 0.000 1.020 213 A HN 1.412 nan 8.150 nan 0.000 0.494 214 Y N 0.255 120.404 120.300 -0.251 0.000 4.729 214 Y HA -0.223 4.327 4.550 -0.000 0.000 0.239 214 Y C 1.620 177.424 175.900 -0.159 0.000 1.043 214 Y CA 0.549 58.541 58.100 -0.181 0.000 2.045 214 Y CB -2.450 35.930 38.460 -0.132 0.000 1.599 214 Y HN 0.500 nan 8.280 nan 0.000 0.655 215 S N -1.856 113.748 115.700 -0.160 0.000 2.452 215 S HA 0.245 4.715 4.470 -0.000 0.000 0.225 215 S C 0.294 174.969 174.600 0.126 0.000 1.057 215 S CA 0.845 58.999 58.200 -0.077 0.000 0.949 215 S CB 0.621 63.649 63.200 -0.286 0.000 0.836 215 S HN 0.571 nan 8.310 nan 0.000 0.518 216 W N -0.260 121.029 121.300 -0.019 0.000 3.066 216 W HA 0.685 5.345 4.660 -0.000 0.000 0.330 216 W C -2.303 174.197 176.519 -0.030 0.000 1.253 216 W CA -1.118 56.210 57.345 -0.028 0.000 1.187 216 W CB 0.070 29.517 29.460 -0.021 0.000 1.434 216 W HN -0.206 nan 8.180 nan 0.000 0.572 217 L N 2.952 124.332 121.223 0.261 0.000 2.334 217 L HA 0.758 5.098 4.340 -0.000 0.000 0.277 217 L C 0.425 177.403 176.870 0.181 0.000 1.075 217 L CA -0.557 54.358 54.840 0.124 0.000 0.804 217 L CB 1.616 43.720 42.059 0.075 0.000 1.174 217 L HN 0.586 nan 8.230 nan 0.000 0.438 218 T N -0.538 114.053 114.554 0.062 0.000 2.893 218 T HA 0.841 5.191 4.350 -0.000 0.000 0.291 218 T C -0.244 174.445 174.700 -0.018 0.000 1.028 218 T CA -0.774 61.344 62.100 0.029 0.000 0.995 218 T CB 2.118 70.968 68.868 -0.029 0.000 1.051 218 T HN 0.724 nan 8.240 nan 0.000 0.470 219 G N -0.831 107.960 108.800 -0.014 0.000 2.672 219 G HA2 0.873 4.833 3.960 -0.000 0.000 0.292 219 G HA3 0.873 4.833 3.960 -0.000 0.000 0.292 219 G C -0.532 174.031 174.900 -0.560 0.000 1.375 219 G CA -0.461 44.582 45.100 -0.095 0.000 0.890 219 G HN 1.270 nan 8.290 nan 0.000 0.476 220 G N -1.254 107.032 108.800 -0.856 0.000 2.341 220 G HA2 0.677 4.637 3.960 -0.000 0.000 0.299 220 G HA3 0.677 4.637 3.960 -0.000 0.000 0.299 220 G C -0.411 174.223 174.900 -0.443 0.000 1.274 220 G CA 0.480 45.023 45.100 -0.927 0.000 0.853 220 G HN 1.403 nan 8.290 nan 0.000 0.493 221 T N -2.556 111.909 114.554 -0.149 0.000 2.944 221 T HA 0.786 5.136 4.350 -0.000 0.000 0.284 221 T C -0.713 174.114 174.700 0.212 0.000 1.010 221 T CA -0.828 61.377 62.100 0.176 0.000 1.025 221 T CB 1.982 70.997 68.868 0.245 0.000 1.079 221 T HN 1.102 nan 8.240 nan 0.000 0.516 222 V N 0.389 120.486 119.914 0.304 0.000 2.888 222 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 222 V C 0.813 177.026 176.094 0.199 0.000 1.114 222 V CA -0.731 61.695 62.300 0.211 0.000 0.940 222 V CB 2.084 33.992 31.823 0.141 0.000 1.021 222 V HN 1.340 nan 8.190 nan 0.000 0.426 223 G N 1.983 110.855 108.800 0.121 0.000 2.594 223 G HA2 0.336 4.296 3.960 -0.000 0.000 0.243 223 G HA3 0.336 4.296 3.960 -0.000 0.000 0.243 223 G C 0.302 175.161 174.900 -0.067 0.000 1.229 223 G CA -0.051 45.106 45.100 0.094 0.000 0.843 223 G HN 0.736 nan 8.290 nan 0.000 0.578 224 S N -1.028 114.682 115.700 0.016 0.000 2.558 224 S HA 0.031 4.501 4.470 -0.000 0.000 0.297 224 S C 0.101 174.581 174.600 -0.201 0.000 1.283 224 S CA 0.321 58.470 58.200 -0.085 0.000 1.044 224 S CB -0.020 63.258 63.200 0.130 0.000 0.789 224 S HN 0.383 nan 8.310 nan 0.000 0.500 225 L N 2.943 123.992 121.223 -0.290 0.000 2.362 225 L HA 0.445 4.785 4.340 -0.000 0.000 0.275 225 L C 0.313 177.175 176.870 -0.013 0.000 0.998 225 L CA -0.434 54.293 54.840 -0.187 0.000 0.820 225 L CB 1.963 43.802 42.059 -0.368 0.000 1.270 225 L HN 0.655 nan 8.230 nan 0.000 0.415 226 S N 0.714 116.442 115.700 0.047 0.000 2.601 226 S HA 0.663 5.133 4.470 -0.000 0.000 0.271 226 S C 0.043 174.726 174.600 0.139 0.000 1.305 226 S CA -0.759 57.495 58.200 0.089 0.000 1.022 226 S CB 1.241 64.494 63.200 0.088 0.000 0.940 226 S HN 0.513 nan 8.310 nan 0.000 0.525 227 S N 1.431 117.211 115.700 0.132 0.000 2.654 227 S HA 0.707 5.177 4.470 -0.000 0.000 0.283 227 S C -0.641 174.090 174.600 0.218 0.000 1.180 227 S CA -0.692 57.588 58.200 0.133 0.000 1.021 227 S CB 0.429 63.673 63.200 0.073 0.000 1.018 227 S HN 0.871 nan 8.310 nan 0.000 0.532 228 Y N -0.876 119.448 120.300 0.041 0.000 2.818 228 Y HA 0.595 5.145 4.550 -0.000 0.000 0.322 228 Y C -0.019 175.894 175.900 0.022 0.000 1.323 228 Y CA -1.457 56.660 58.100 0.027 0.000 1.090 228 Y CB 0.367 38.841 38.460 0.024 0.000 1.328 228 Y HN 0.622 nan 8.280 nan 0.000 0.482 229 Q N 2.144 121.997 119.800 0.088 0.000 2.439 229 Q HA -0.292 4.048 4.340 -0.000 0.000 0.325 229 Q C -0.550 175.413 176.000 -0.063 0.000 1.372 229 Q CA 1.031 56.823 55.803 -0.019 0.000 0.909 229 Q CB -1.498 27.150 28.738 -0.150 0.000 1.167 229 Q HN 0.929 nan 8.270 nan 0.000 0.418 230 N N -2.073 116.620 118.700 -0.012 0.000 2.708 230 N HA -0.277 4.463 4.740 -0.000 0.000 0.251 230 N C 0.730 176.220 175.510 -0.033 0.000 1.123 230 N CA 1.753 54.794 53.050 -0.016 0.000 0.739 230 N CB -1.518 36.960 38.487 -0.016 0.000 1.113 230 N HN 1.203 nan 8.380 nan 0.000 0.561 231 G N -0.616 108.154 108.800 -0.050 0.000 2.176 231 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.232 231 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.232 231 G C 0.650 175.510 174.900 -0.066 0.000 0.986 231 G CA 0.546 45.625 45.100 -0.035 0.000 0.643 231 G HN 0.528 nan 8.290 nan 0.000 0.522 232 E N -0.694 119.428 120.200 -0.129 0.000 2.285 232 E HA 0.169 4.519 4.350 -0.000 0.000 0.194 232 E C 0.971 177.443 176.600 -0.212 0.000 0.997 232 E CA 0.581 56.888 56.400 -0.154 0.000 0.845 232 E CB 0.049 29.657 29.700 -0.154 0.000 0.782 232 E HN 0.428 nan 8.360 nan 0.000 0.491 233 M N 0.601 119.989 119.600 -0.353 0.000 2.572 233 M HA 0.472 4.952 4.480 -0.000 0.000 0.299 233 M C -0.350 175.745 176.300 -0.342 0.000 1.205 233 M CA -0.887 54.122 55.300 -0.486 0.000 0.876 233 M CB 2.081 33.972 32.600 -1.181 0.000 1.728 233 M HN -0.061 nan 8.290 nan 0.000 0.458 234 I N -0.943 119.595 120.570 -0.053 0.000 3.074 234 I HA 0.962 5.132 4.170 -0.000 0.000 0.310 234 I C -0.565 175.766 176.117 0.357 0.000 1.153 234 I CA -0.642 60.736 61.300 0.129 0.000 0.993 234 I CB 2.506 40.528 38.000 0.037 0.000 1.237 234 I HN 0.761 nan 8.210 nan 0.000 0.443 235 S N 1.951 117.848 115.700 0.328 0.000 2.615 235 S HA 0.808 5.278 4.470 -0.000 0.000 0.269 235 S C -0.934 173.801 174.600 0.225 0.000 1.161 235 S CA -0.324 58.102 58.200 0.376 0.000 0.817 235 S CB 2.149 65.550 63.200 0.334 0.000 1.131 235 S HN 1.135 nan 8.310 nan 0.000 0.467 236 T N 0.558 115.265 114.554 0.255 0.000 2.775 236 T HA 0.522 4.872 4.350 -0.000 0.000 0.320 236 T C -1.300 173.503 174.700 0.171 0.000 1.597 236 T CA -0.013 62.179 62.100 0.153 0.000 1.022 236 T CB 1.281 70.189 68.868 0.068 0.000 1.485 236 T HN 1.515 nan 8.240 nan 0.000 0.494 237 S N 1.751 117.517 115.700 0.111 0.000 3.940 237 S HA 0.257 4.727 4.470 -0.000 0.000 0.210 237 S C 1.443 176.108 174.600 0.109 0.000 1.419 237 S CA 0.054 58.308 58.200 0.090 0.000 0.912 237 S CB -0.178 63.046 63.200 0.040 0.000 1.489 237 S HN 0.761 nan 8.310 nan 0.000 0.469 238 S N 1.369 117.188 115.700 0.199 0.000 2.481 238 S HA 0.053 4.523 4.470 -0.000 0.000 0.231 238 S C 1.733 176.455 174.600 0.203 0.000 0.996 238 S CA 0.465 58.808 58.200 0.238 0.000 0.942 238 S CB -0.607 62.821 63.200 0.381 0.000 0.768 238 S HN 0.718 nan 8.310 nan 0.000 0.520 239 G N 1.225 110.078 108.800 0.088 0.000 2.650 239 G HA2 0.192 4.152 3.960 -0.000 0.000 0.214 239 G HA3 0.192 4.152 3.960 -0.000 0.000 0.214 239 G C 0.593 175.384 174.900 -0.181 0.000 1.136 239 G CA -0.188 44.727 45.100 -0.309 0.000 0.789 239 G HN 0.537 nan 8.290 nan 0.000 0.536 240 L N 2.670 123.854 121.223 -0.066 0.000 2.376 240 L HA 0.093 4.433 4.340 -0.000 0.000 0.250 240 L C 1.790 178.647 176.870 -0.021 0.000 1.335 240 L CA -0.650 54.173 54.840 -0.028 0.000 1.214 240 L CB 0.583 42.637 42.059 -0.008 0.000 1.395 240 L HN 0.133 nan 8.230 nan 0.000 0.424 241 V N -3.047 116.847 119.914 -0.034 0.000 3.141 241 V HA -0.124 3.996 4.120 -0.000 0.000 0.265 241 V C 1.516 177.399 176.094 -0.350 0.000 1.126 241 V CA 1.043 63.246 62.300 -0.161 0.000 1.141 241 V CB -0.854 30.837 31.823 -0.219 0.000 0.743 241 V HN 0.466 nan 8.190 nan 0.000 0.492 242 F N 0.417 120.218 119.950 -0.249 0.000 2.749 242 F HA 0.350 4.877 4.527 -0.000 0.000 0.300 242 F C 1.160 176.643 175.800 -0.529 0.000 1.103 242 F CA 0.088 57.849 58.000 -0.398 0.000 1.342 242 F CB 0.259 39.139 39.000 -0.201 0.000 1.098 242 F HN 0.147 nan 8.300 nan 0.000 0.586 243 D N -0.210 120.089 120.400 -0.168 0.000 2.483 243 D HA -0.003 4.637 4.640 -0.000 0.000 0.220 243 D C 0.649 176.897 176.300 -0.086 0.000 1.173 243 D CA -0.064 53.879 54.000 -0.095 0.000 0.964 243 D CB -0.017 40.782 40.800 -0.003 0.000 1.046 243 D HN 0.163 nan 8.370 nan 0.000 0.517 244 Y N 2.303 122.649 120.300 0.077 0.000 2.293 244 Y HA -0.134 4.416 4.550 -0.000 0.000 0.291 244 Y C 2.031 177.967 175.900 0.061 0.000 1.137 244 Y CA 0.979 59.110 58.100 0.052 0.000 1.202 244 Y CB -0.088 38.382 38.460 0.016 0.000 0.990 244 Y HN 0.309 nan 8.280 nan 0.000 0.537 245 K N -0.532 119.990 120.400 0.204 0.000 2.217 245 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 245 K C 1.763 178.443 176.600 0.132 0.000 1.051 245 K CA 0.963 57.342 56.287 0.154 0.000 0.952 245 K CB -0.371 32.204 32.500 0.125 0.000 0.736 245 K HN 0.183 nan 8.250 nan 0.000 0.453 246 L N 0.670 121.961 121.223 0.113 0.000 2.168 246 L HA 0.121 4.461 4.340 -0.000 0.000 0.203 246 L C 0.819 177.761 176.870 0.120 0.000 1.078 246 L CA 1.619 56.519 54.840 0.101 0.000 0.780 246 L CB -0.049 42.053 42.059 0.072 0.000 0.939 246 L HN 0.110 nan 8.230 nan 0.000 0.451 247 N N -0.052 118.722 118.700 0.123 0.000 2.184 247 N HA 0.299 5.039 4.740 -0.000 0.000 0.206 247 N C 0.495 176.118 175.510 0.188 0.000 1.151 247 N CA 0.791 53.923 53.050 0.136 0.000 0.878 247 N CB 0.814 39.353 38.487 0.088 0.000 1.014 247 N HN 0.422 nan 8.380 nan 0.000 0.512 248 G N 0.482 109.410 108.800 0.213 0.000 2.757 248 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.638 248 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.638 248 G C 0.738 175.788 174.900 0.250 0.000 1.344 248 G CA -0.242 45.001 45.100 0.240 0.000 0.855 248 G HN 0.236 nan 8.290 nan 0.000 0.537 249 A N -0.550 122.378 122.820 0.180 0.000 2.076 249 A HA 0.293 4.613 4.320 -0.000 0.000 0.220 249 A C 1.581 179.243 177.584 0.129 0.000 1.160 249 A CA 2.288 54.371 52.037 0.077 0.000 0.653 249 A CB -0.203 18.779 19.000 -0.031 0.000 0.801 249 A HN 1.030 nan 8.150 nan 0.000 0.455 250 M N -0.259 119.419 119.600 0.130 0.000 2.353 250 M HA 0.246 4.726 4.480 -0.000 0.000 0.218 250 M C -2.987 173.428 176.300 0.191 0.000 1.044 250 M CA -1.722 53.654 55.300 0.127 0.000 0.615 250 M CB 2.073 34.567 32.600 -0.177 0.000 1.531 250 M HN -0.149 nan 8.290 nan 0.000 0.378 251 P HA 0.244 nan 4.420 nan 0.000 0.268 251 P C -0.947 176.358 177.300 0.009 0.000 1.205 251 P CA 0.174 63.316 63.100 0.070 0.000 0.771 251 P CB 0.857 32.538 31.700 -0.032 0.000 0.858 252 I N 2.956 123.532 120.570 0.009 0.000 2.752 252 I HA 0.485 4.655 4.170 -0.000 0.000 0.295 252 I C -1.777 174.393 176.117 0.088 0.000 1.219 252 I CA -1.158 60.111 61.300 -0.052 0.000 1.030 252 I CB 1.663 39.578 38.000 -0.142 0.000 1.259 252 I HN 0.218 nan 8.210 nan 0.000 0.423 253 Y N 5.722 125.981 120.300 -0.068 0.000 2.393 253 Y HA 0.774 5.324 4.550 -0.000 0.000 0.341 253 Y C -0.030 175.840 175.900 -0.050 0.000 0.988 253 Y CA -0.722 57.358 58.100 -0.032 0.000 1.078 253 Y CB 1.990 40.418 38.460 -0.053 0.000 1.203 253 Y HN 0.571 nan 8.280 nan 0.000 0.453 254 G N 4.879 113.303 108.800 -0.627 0.000 2.395 254 G HA2 0.484 4.444 3.960 -0.000 0.000 0.283 254 G HA3 0.484 4.444 3.960 -0.000 0.000 0.283 254 G C -0.811 173.664 174.900 -0.708 0.000 1.178 254 G CA -0.473 44.296 45.100 -0.552 0.000 0.837 254 G HN 0.633 nan 8.290 nan 0.000 0.518 255 E N -0.010 119.972 120.200 -0.364 0.000 2.412 255 E HA 0.563 4.913 4.350 -0.000 0.000 0.255 255 E C 0.277 176.759 176.600 -0.196 0.000 0.933 255 E CA -0.926 55.345 56.400 -0.215 0.000 0.823 255 E CB 1.700 31.402 29.700 0.003 0.000 1.352 255 E HN 0.612 nan 8.360 nan 0.000 0.406 256 A N -0.195 122.546 122.820 -0.131 0.000 2.565 256 A HA 0.358 4.678 4.320 -0.000 0.000 0.237 256 A C 1.187 178.630 177.584 -0.236 0.000 1.053 256 A CA 1.343 53.295 52.037 -0.142 0.000 0.755 256 A CB -0.750 18.188 19.000 -0.104 0.000 0.980 256 A HN 0.799 nan 8.150 nan 0.000 0.506 257 G N 1.403 110.068 108.800 -0.225 0.000 2.284 257 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.247 257 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.247 257 G C 0.625 175.402 174.900 -0.205 0.000 1.012 257 G CA 0.668 45.548 45.100 -0.366 0.000 0.618 257 G HN 0.732 nan 8.290 nan 0.000 0.521 258 D N 1.358 121.636 120.400 -0.204 0.000 2.363 258 D HA 0.122 4.762 4.640 -0.000 0.000 0.220 258 D C 1.164 177.370 176.300 -0.157 0.000 0.994 258 D CA 0.794 54.691 54.000 -0.172 0.000 0.890 258 D CB -0.034 40.638 40.800 -0.214 0.000 0.906 258 D HN 0.387 nan 8.370 nan 0.000 0.530 259 S N -0.319 115.299 115.700 -0.137 0.000 2.673 259 S HA 0.210 4.680 4.470 -0.000 0.000 0.308 259 S C 1.538 176.023 174.600 -0.192 0.000 1.246 259 S CA 0.755 58.863 58.200 -0.153 0.000 1.077 259 S CB 0.725 63.839 63.200 -0.143 0.000 0.814 259 S HN 0.500 nan 8.310 nan 0.000 0.503 260 G N 2.592 111.286 108.800 -0.176 0.000 2.241 260 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.244 260 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.244 260 G C 0.312 175.171 174.900 -0.069 0.000 0.998 260 G CA 0.118 45.132 45.100 -0.144 0.000 0.621 260 G HN 1.333 nan 8.290 nan 0.000 0.519 261 S N 2.167 117.827 115.700 -0.067 0.000 2.568 261 S HA 0.556 5.026 4.470 -0.000 0.000 0.282 261 S C -1.596 173.031 174.600 0.045 0.000 1.338 261 S CA -0.075 58.112 58.200 -0.023 0.000 1.045 261 S CB 1.777 64.954 63.200 -0.038 0.000 0.873 261 S HN 0.465 nan 8.310 nan 0.000 0.516 262 P HA 0.398 nan 4.420 nan 0.000 0.279 262 P C -1.110 176.163 177.300 -0.045 0.000 1.252 262 P CA -0.800 62.245 63.100 -0.091 0.000 0.811 262 P CB 0.735 32.236 31.700 -0.331 0.000 1.035 263 L N 2.265 123.390 121.223 -0.164 0.000 2.325 263 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 263 L C -1.258 175.478 176.870 -0.222 0.000 1.004 263 L CA -0.489 54.257 54.840 -0.158 0.000 0.823 263 L CB 0.328 42.087 42.059 -0.501 0.000 1.236 263 L HN 0.143 nan 8.230 nan 0.000 0.415 264 F N 3.584 123.677 119.950 0.238 0.000 2.507 264 F HA 0.869 5.396 4.527 -0.000 0.000 0.327 264 F C 0.388 176.415 175.800 0.378 0.000 1.068 264 F CA -0.376 57.814 58.000 0.316 0.000 0.965 264 F CB 2.044 41.277 39.000 0.389 0.000 1.192 264 F HN 0.611 nan 8.300 nan 0.000 0.476 265 A N 1.787 124.913 122.820 0.509 0.000 2.475 265 A HA 0.666 4.986 4.320 -0.000 0.000 0.301 265 A C -1.916 175.639 177.584 -0.048 0.000 1.059 265 A CA -0.567 51.470 52.037 -0.000 0.000 0.710 265 A CB 0.938 19.652 19.000 -0.477 0.000 1.288 265 A HN 0.636 nan 8.150 nan 0.000 0.408 266 F N 2.057 121.514 119.950 -0.823 0.000 2.420 266 F HA 0.477 5.004 4.527 -0.000 0.000 0.352 266 F C -0.131 175.410 175.800 -0.432 0.000 1.108 266 F CA -0.197 57.165 58.000 -1.062 0.000 1.162 266 F CB 0.980 38.977 39.000 -1.673 0.000 1.118 266 F HN 0.531 nan 8.300 nan 0.000 0.510 267 D N 4.273 124.070 120.400 -1.005 0.000 2.454 267 D HA 0.104 4.744 4.640 -0.000 0.000 0.225 267 D C 0.936 176.682 176.300 -0.924 0.000 1.081 267 D CA -0.203 53.369 54.000 -0.713 0.000 0.864 267 D CB 1.251 41.862 40.800 -0.315 0.000 1.040 267 D HN 0.673 nan 8.370 nan 0.000 0.517 268 T N 0.083 114.261 114.554 -0.626 0.000 3.085 268 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 268 T C 1.801 176.334 174.700 -0.279 0.000 1.127 268 T CA 0.435 62.331 62.100 -0.341 0.000 1.103 268 T CB -0.028 68.780 68.868 -0.100 0.000 0.921 268 T HN 0.161 nan 8.240 nan 0.000 0.510 269 V N 1.399 121.121 119.914 -0.321 0.000 2.453 269 V HA -0.064 4.056 4.120 -0.000 0.000 0.247 269 V C 2.621 178.604 176.094 -0.184 0.000 1.048 269 V CA 1.591 63.760 62.300 -0.217 0.000 1.049 269 V CB -0.510 31.189 31.823 -0.207 0.000 0.672 269 V HN 0.555 nan 8.190 nan 0.000 0.457 270 Q N -0.862 118.794 119.800 -0.240 0.000 2.319 270 Q HA 0.176 4.516 4.340 -0.000 0.000 0.209 270 Q C 0.661 176.535 176.000 -0.211 0.000 0.884 270 Q CA 0.029 55.720 55.803 -0.187 0.000 0.938 270 Q CB 0.226 28.861 28.738 -0.172 0.000 1.098 270 Q HN 0.728 nan 8.270 nan 0.000 0.517 271 N N 1.550 120.059 118.700 -0.317 0.000 2.735 271 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 271 N C -1.159 174.171 175.510 -0.302 0.000 1.083 271 N CA 0.757 53.660 53.050 -0.245 0.000 0.703 271 N CB -0.414 38.065 38.487 -0.013 0.000 1.005 271 N HN 0.327 nan 8.380 nan 0.000 0.550 272 K N -1.250 118.745 120.400 -0.674 0.000 2.555 272 K HA 0.354 4.674 4.320 -0.000 0.000 0.279 272 K C -1.114 175.212 176.600 -0.456 0.000 0.986 272 K CA -0.965 55.120 56.287 -0.336 0.000 0.880 272 K CB 0.651 33.113 32.500 -0.063 0.000 1.474 272 K HN 0.030 nan 8.250 nan 0.000 0.433 273 W N 0.825 122.102 121.300 -0.039 0.000 2.237 273 W HA 0.512 5.172 4.660 -0.000 0.000 0.335 273 W C -0.358 176.210 176.519 0.081 0.000 1.230 273 W CA -0.187 57.183 57.345 0.042 0.000 1.253 273 W CB 1.495 30.990 29.460 0.059 0.000 1.129 273 W HN 0.201 nan 8.180 nan 0.000 0.590 274 V N 3.643 123.854 119.914 0.495 0.000 2.777 274 V HA 0.224 4.344 4.120 -0.000 0.000 0.306 274 V C -1.094 175.272 176.094 0.453 0.000 1.112 274 V CA -1.224 61.292 62.300 0.359 0.000 0.917 274 V CB 1.918 33.863 31.823 0.203 0.000 1.018 274 V HN 0.338 nan 8.190 nan 0.000 0.426 275 L N 6.678 128.112 121.223 0.351 0.000 2.361 275 L HA 0.373 4.713 4.340 -0.000 0.000 0.278 275 L C 0.942 177.792 176.870 -0.032 0.000 1.113 275 L CA 0.859 55.725 54.840 0.044 0.000 0.849 275 L CB 1.574 43.621 42.059 -0.020 0.000 1.155 275 L HN 0.646 nan 8.230 nan 0.000 0.452 276 V N 2.536 122.358 119.914 -0.153 0.000 2.922 276 V HA 0.724 4.844 4.120 -0.000 0.000 0.242 276 V C 0.710 176.648 176.094 -0.261 0.000 1.094 276 V CA 0.919 63.055 62.300 -0.274 0.000 1.106 276 V CB -0.290 31.187 31.823 -0.577 0.000 0.799 276 V HN 0.889 nan 8.190 nan 0.000 0.474 277 G N -0.300 108.380 108.800 -0.200 0.000 2.554 277 G HA2 0.594 4.554 3.960 -0.000 0.000 0.306 277 G HA3 0.594 4.554 3.960 -0.000 0.000 0.306 277 G C -1.458 173.497 174.900 0.090 0.000 1.320 277 G CA 0.069 45.131 45.100 -0.063 0.000 0.800 277 G HN 1.197 nan 8.290 nan 0.000 0.481 278 V N -2.131 117.934 119.914 0.252 0.000 2.925 278 V HA 0.815 4.935 4.120 -0.000 0.000 0.311 278 V C -0.473 175.752 176.094 0.219 0.000 1.104 278 V CA -1.078 61.372 62.300 0.251 0.000 0.954 278 V CB 1.581 33.511 31.823 0.178 0.000 1.022 278 V HN 1.009 nan 8.190 nan 0.000 0.427 279 L N 3.491 124.724 121.223 0.016 0.000 2.290 279 L HA 0.540 4.880 4.340 -0.000 0.000 0.284 279 L C 1.373 178.082 176.870 -0.269 0.000 1.078 279 L CA 0.552 55.134 54.840 -0.430 0.000 0.815 279 L CB 1.905 43.604 42.059 -0.600 0.000 1.162 279 L HN 1.100 nan 8.230 nan 0.000 0.435 280 T N 1.320 115.713 114.554 -0.269 0.000 3.042 280 T HA 0.583 4.933 4.350 -0.000 0.000 0.245 280 T C 0.464 175.124 174.700 -0.066 0.000 1.029 280 T CA 0.317 62.382 62.100 -0.059 0.000 1.120 280 T CB 0.389 69.261 68.868 0.007 0.000 0.917 280 T HN 0.683 nan 8.240 nan 0.000 0.467 281 A N -0.608 122.083 122.820 -0.216 0.000 2.511 281 A HA 0.838 5.158 4.320 -0.000 0.000 0.293 281 A C -0.452 176.966 177.584 -0.276 0.000 1.098 281 A CA -0.400 51.518 52.037 -0.199 0.000 0.643 281 A CB 0.849 19.772 19.000 -0.128 0.000 1.302 281 A HN 0.896 nan 8.150 nan 0.000 0.446 282 G N -1.148 107.536 108.800 -0.194 0.000 2.682 282 G HA2 0.501 4.461 3.960 -0.000 0.000 0.303 282 G HA3 0.501 4.461 3.960 -0.000 0.000 0.303 282 G C -1.040 173.857 174.900 -0.006 0.000 1.341 282 G CA -0.470 44.559 45.100 -0.117 0.000 0.784 282 G HN 0.710 nan 8.290 nan 0.000 0.497 283 N N 0.620 119.386 118.700 0.110 0.000 2.802 283 N HA 0.444 5.184 4.740 -0.000 0.000 0.288 283 N C 0.745 176.284 175.510 0.048 0.000 1.268 283 N CA 0.516 53.593 53.050 0.046 0.000 1.035 283 N CB 0.614 39.110 38.487 0.015 0.000 1.353 283 N HN 1.194 nan 8.380 nan 0.000 0.522 284 G N 0.591 109.421 108.800 0.048 0.000 2.855 284 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.352 284 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.352 284 G C -0.090 174.850 174.900 0.066 0.000 1.415 284 G CA -0.621 44.494 45.100 0.025 0.000 0.871 284 G HN 0.496 nan 8.290 nan 0.000 0.543 285 A N 0.082 122.893 122.820 -0.014 0.000 2.553 285 A HA 0.594 4.914 4.320 -0.000 0.000 0.258 285 A C 2.100 179.551 177.584 -0.222 0.000 1.069 285 A CA 2.087 54.041 52.037 -0.139 0.000 0.767 285 A CB -0.672 18.169 19.000 -0.264 0.000 0.997 285 A HN 2.925 nan 8.150 nan 0.000 0.512 286 G N 2.101 110.761 108.800 -0.234 0.000 2.160 286 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.251 286 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.251 286 G C 0.853 175.496 174.900 -0.428 0.000 1.008 286 G CA 0.702 45.599 45.100 -0.339 0.000 0.724 286 G HN 1.826 nan 8.290 nan 0.000 0.514 287 G N -1.250 107.265 108.800 -0.476 0.000 2.588 287 G HA2 0.485 4.445 3.960 -0.000 0.000 0.278 287 G HA3 0.485 4.445 3.960 -0.000 0.000 0.278 287 G C 0.862 175.411 174.900 -0.585 0.000 1.307 287 G CA 0.363 45.254 45.100 -0.350 0.000 1.016 287 G HN 0.474 nan 8.290 nan 0.000 0.503 288 R N -1.108 119.237 120.500 -0.258 0.000 2.127 288 R HA 0.235 4.575 4.340 -0.000 0.000 0.217 288 R C 0.944 177.201 176.300 -0.072 0.000 1.074 288 R CA 1.058 57.045 56.100 -0.189 0.000 0.991 288 R CB -0.058 30.187 30.300 -0.092 0.000 0.895 288 R HN 0.629 nan 8.270 nan 0.000 0.450 289 G N -0.798 108.072 108.800 0.117 0.000 2.660 289 G HA2 0.354 4.314 3.960 -0.000 0.000 0.290 289 G HA3 0.354 4.314 3.960 -0.000 0.000 0.290 289 G C -1.848 173.201 174.900 0.248 0.000 1.432 289 G CA -0.904 44.342 45.100 0.242 0.000 0.807 289 G HN 0.253 nan 8.290 nan 0.000 0.485 290 N N -0.867 117.891 118.700 0.097 0.000 2.328 290 N HA 0.527 5.267 4.740 -0.000 0.000 0.299 290 N C -0.949 174.441 175.510 -0.200 0.000 1.179 290 N CA -0.887 51.998 53.050 -0.277 0.000 0.793 290 N CB 1.933 39.890 38.487 -0.884 0.000 1.366 290 N HN 0.579 nan 8.380 nan 0.000 0.493 291 N N -0.535 117.971 118.700 -0.323 0.000 2.319 291 N HA 0.475 5.215 4.740 -0.000 0.000 0.305 291 N C -1.306 174.103 175.510 -0.168 0.000 1.103 291 N CA -0.749 52.305 53.050 0.007 0.000 0.815 291 N CB 1.927 40.495 38.487 0.134 0.000 1.288 291 N HN 0.268 nan 8.380 nan 0.000 0.493 292 W N 0.159 121.468 121.300 0.014 0.000 2.950 292 W HA 0.620 5.280 4.660 -0.000 0.000 0.340 292 W C -0.777 175.703 176.519 -0.065 0.000 1.139 292 W CA -0.979 56.345 57.345 -0.035 0.000 1.188 292 W CB 1.784 31.197 29.460 -0.078 0.000 1.426 292 W HN 0.400 nan 8.180 nan 0.000 0.531 293 A N 1.922 124.840 122.820 0.163 0.000 2.301 293 A HA 0.558 4.878 4.320 -0.000 0.000 0.298 293 A C -0.448 177.131 177.584 -0.009 0.000 1.185 293 A CA -0.424 51.637 52.037 0.039 0.000 0.830 293 A CB 0.666 19.697 19.000 0.051 0.000 1.112 293 A HN 0.357 nan 8.150 nan 0.000 0.508 294 V N 4.268 124.120 119.914 -0.104 0.000 2.614 294 V HA 0.049 4.169 4.120 -0.000 0.000 0.291 294 V C 0.553 176.510 176.094 -0.228 0.000 1.049 294 V CA -0.548 61.661 62.300 -0.152 0.000 1.038 294 V CB 0.809 32.566 31.823 -0.110 0.000 0.980 294 V HN 0.659 nan 8.190 nan 0.000 0.481 295 I N 7.460 127.909 120.570 -0.201 0.000 2.828 295 I HA 0.063 4.233 4.170 -0.000 0.000 0.292 295 I C -1.863 174.055 176.117 -0.331 0.000 1.206 295 I CA -1.867 59.258 61.300 -0.291 0.000 1.420 295 I CB -0.024 37.931 38.000 -0.075 0.000 1.368 295 I HN 0.452 nan 8.210 nan 0.000 0.556 296 P HA 0.221 nan 4.420 nan 0.000 0.284 296 P C 0.805 178.023 177.300 -0.136 0.000 1.343 296 P CA -0.373 62.551 63.100 -0.294 0.000 0.826 296 P CB 0.889 32.382 31.700 -0.345 0.000 0.956 297 L N 1.678 122.850 121.223 -0.084 0.000 2.046 297 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 297 L C 1.720 178.548 176.870 -0.070 0.000 1.077 297 L CA 1.571 56.374 54.840 -0.060 0.000 0.747 297 L CB -0.730 41.314 42.059 -0.024 0.000 0.896 297 L HN 0.219 nan 8.230 nan 0.000 0.432 298 D N -0.203 120.173 120.400 -0.039 0.000 2.117 298 D HA -0.190 4.450 4.640 -0.000 0.000 0.198 298 D C 1.903 178.181 176.300 -0.037 0.000 0.982 298 D CA 1.116 55.096 54.000 -0.035 0.000 0.828 298 D CB -0.175 40.622 40.800 -0.005 0.000 0.967 298 D HN 0.210 nan 8.370 nan 0.000 0.464 299 F N 1.486 121.346 119.950 -0.150 0.000 2.113 299 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 299 F C 2.144 177.813 175.800 -0.218 0.000 1.103 299 F CA 1.185 59.103 58.000 -0.138 0.000 1.248 299 F CB -0.155 38.789 39.000 -0.094 0.000 0.999 299 F HN -0.043 nan 8.300 nan 0.000 0.475 300 I N -1.229 119.163 120.570 -0.296 0.000 2.315 300 I HA -0.007 4.163 4.170 -0.000 0.000 0.248 300 I C 2.457 177.890 176.117 -1.140 0.000 1.117 300 I CA 1.554 62.422 61.300 -0.720 0.000 1.404 300 I CB -1.778 35.918 38.000 -0.507 0.000 1.071 300 I HN 0.166 nan 8.210 nan 0.000 0.419 301 G N 1.176 109.593 108.800 -0.638 0.000 2.529 301 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 301 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 301 G C 1.547 176.218 174.900 -0.383 0.000 1.177 301 G CA 1.350 46.205 45.100 -0.409 0.000 0.773 301 G HN 0.612 nan 8.290 nan 0.000 0.573 302 Q N 0.081 119.659 119.800 -0.370 0.000 2.030 302 Q HA -0.087 4.253 4.340 -0.000 0.000 0.204 302 Q C 2.713 178.485 176.000 -0.380 0.000 0.986 302 Q CA 1.415 57.031 55.803 -0.312 0.000 0.843 302 Q CB -0.156 28.431 28.738 -0.252 0.000 0.904 302 Q HN 0.206 nan 8.270 nan 0.000 0.420 303 K N 0.702 120.725 120.400 -0.628 0.000 2.059 303 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 303 K C 1.956 178.366 176.600 -0.316 0.000 1.050 303 K CA 1.571 57.545 56.287 -0.522 0.000 0.927 303 K CB -0.713 31.370 32.500 -0.695 0.000 0.714 303 K HN 0.318 nan 8.250 nan 0.000 0.447 304 F N 1.499 121.161 119.950 -0.480 0.000 2.102 304 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 304 F C 2.141 177.849 175.800 -0.154 0.000 1.105 304 F CA 0.453 58.205 58.000 -0.413 0.000 1.239 304 F CB -0.347 38.448 39.000 -0.341 0.000 0.991 304 F HN 0.086 nan 8.300 nan 0.000 0.474 305 N N 0.579 119.297 118.700 0.029 0.000 2.309 305 N HA -0.156 4.584 4.740 -0.000 0.000 0.182 305 N C 1.623 177.137 175.510 0.008 0.000 1.018 305 N CA 1.295 54.357 53.050 0.019 0.000 0.876 305 N CB -0.489 37.987 38.487 -0.018 0.000 0.972 305 N HN 0.529 nan 8.380 nan 0.000 0.434 306 E N -0.071 120.120 120.200 -0.015 0.000 2.427 306 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 306 E C -0.025 176.587 176.600 0.021 0.000 1.028 306 E CA 0.706 57.099 56.400 -0.012 0.000 0.864 306 E CB 0.040 29.718 29.700 -0.038 0.000 0.813 306 E HN 0.116 nan 8.360 nan 0.000 0.514 307 D N 0.819 121.259 120.400 0.067 0.000 2.349 307 D HA 0.057 4.697 4.640 -0.000 0.000 0.215 307 D C -0.219 176.120 176.300 0.065 0.000 1.016 307 D CA 0.173 54.228 54.000 0.092 0.000 0.870 307 D CB 0.060 40.975 40.800 0.193 0.000 0.917 307 D HN 0.081 nan 8.370 nan 0.000 0.524 308 N N 1.607 120.332 118.700 0.041 0.000 2.438 308 N HA 0.087 4.827 4.740 -0.000 0.000 0.282 308 N C -0.039 175.475 175.510 0.006 0.000 1.037 308 N CA -0.195 52.861 53.050 0.011 0.000 0.942 308 N CB 1.614 40.098 38.487 -0.006 0.000 1.136 308 N HN -0.055 nan 8.380 nan 0.000 0.481 309 D N 0.348 120.750 120.400 0.003 0.000 2.398 309 D HA 0.236 4.876 4.640 -0.000 0.000 0.247 309 D C 0.227 176.517 176.300 -0.016 0.000 1.227 309 D CA -0.199 53.819 54.000 0.029 0.000 0.980 309 D CB 0.928 41.772 40.800 0.072 0.000 1.106 309 D HN 0.501 nan 8.370 nan 0.000 0.493 310 A N 1.270 124.102 122.820 0.020 0.000 2.483 310 A HA 0.254 4.574 4.320 -0.000 0.000 0.238 310 A C -2.065 175.478 177.584 -0.069 0.000 1.070 310 A CA -0.768 51.277 52.037 0.013 0.000 0.770 310 A CB -0.312 18.739 19.000 0.086 0.000 1.008 310 A HN 0.315 nan 8.150 nan 0.000 0.497 311 P HA 0.172 nan 4.420 nan 0.000 0.276 311 P C -0.626 176.500 177.300 -0.290 0.000 1.253 311 P CA -0.002 62.987 63.100 -0.186 0.000 0.766 311 P CB 0.628 32.267 31.700 -0.101 0.000 0.845 312 V N 4.785 124.373 119.914 -0.543 0.000 2.381 312 V HA 0.078 4.198 4.120 -0.000 0.000 0.257 312 V C 0.902 176.769 176.094 -0.379 0.000 1.057 312 V CA 0.441 62.201 62.300 -0.901 0.000 1.013 312 V CB -0.364 30.978 31.823 -0.802 0.000 1.069 312 V HN 0.518 nan 8.190 nan 0.000 0.484 313 T N 6.388 120.803 114.554 -0.233 0.000 2.749 313 T HA 0.399 4.749 4.350 -0.000 0.000 0.287 313 T C -0.327 174.520 174.700 0.244 0.000 0.970 313 T CA -0.153 62.014 62.100 0.110 0.000 0.980 313 T CB 0.476 69.427 68.868 0.140 0.000 0.924 313 T HN 0.405 nan 8.240 nan 0.000 0.456 314 F N 4.158 124.219 119.950 0.185 0.000 2.495 314 F HA 0.388 4.915 4.527 -0.000 0.000 0.365 314 F C 0.719 176.566 175.800 0.077 0.000 1.090 314 F CA -0.297 57.778 58.000 0.125 0.000 1.235 314 F CB 0.446 39.449 39.000 0.005 0.000 1.119 314 F HN 0.430 nan 8.300 nan 0.000 0.562 315 R N 2.601 123.030 120.500 -0.118 0.000 2.599 315 R HA 0.286 4.626 4.340 -0.000 0.000 0.295 315 R C 0.913 177.112 176.300 -0.169 0.000 0.963 315 R CA -0.190 55.898 56.100 -0.021 0.000 0.883 315 R CB 1.448 31.738 30.300 -0.017 0.000 1.171 315 R HN 0.714 nan 8.270 nan 0.000 0.450 316 T N -1.952 112.647 114.554 0.074 0.000 2.904 316 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 316 T C 1.919 176.611 174.700 -0.013 0.000 1.059 316 T CA 1.381 63.549 62.100 0.114 0.000 1.137 316 T CB -0.251 68.715 68.868 0.163 0.000 0.879 316 T HN 0.578 nan 8.240 nan 0.000 0.467 317 S N 2.869 118.558 115.700 -0.019 0.000 2.369 317 S HA -0.270 4.200 4.470 -0.000 0.000 0.225 317 S C 1.880 176.446 174.600 -0.056 0.000 1.043 317 S CA 1.534 59.719 58.200 -0.025 0.000 1.074 317 S CB -1.009 62.182 63.200 -0.014 0.000 0.962 317 S HN 0.683 nan 8.310 nan 0.000 0.433 318 E N 2.008 122.149 120.200 -0.100 0.000 2.492 318 E HA 0.195 4.545 4.350 -0.000 0.000 0.204 318 E C 1.296 177.823 176.600 -0.122 0.000 1.073 318 E CA 0.272 56.602 56.400 -0.117 0.000 0.887 318 E CB -0.616 28.996 29.700 -0.146 0.000 0.813 318 E HN 0.757 nan 8.360 nan 0.000 0.562 319 G N -0.268 108.466 108.800 -0.109 0.000 2.545 319 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.211 319 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.211 319 G C 0.502 175.391 174.900 -0.019 0.000 1.167 319 G CA -0.481 44.590 45.100 -0.050 0.000 1.151 319 G HN 0.364 nan 8.290 nan 0.000 0.581 320 G N 0.463 109.269 108.800 0.011 0.000 2.751 320 G HA2 0.588 4.548 3.960 -0.000 0.000 0.142 320 G HA3 0.588 4.548 3.960 -0.000 0.000 0.142 320 G C 0.962 175.948 174.900 0.143 0.000 1.783 320 G CA 2.155 47.300 45.100 0.075 0.000 1.018 320 G HN 2.079 nan 8.290 nan 0.000 0.474 321 A N -1.621 121.299 122.820 0.166 0.000 2.326 321 A HA 0.735 5.055 4.320 -0.000 0.000 0.303 321 A C -0.585 177.144 177.584 0.242 0.000 1.164 321 A CA -0.654 51.566 52.037 0.304 0.000 0.929 321 A CB 0.590 19.720 19.000 0.216 0.000 1.363 321 A HN 0.448 nan 8.150 nan 0.000 0.498 322 L N 1.242 122.675 121.223 0.350 0.000 2.264 322 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 322 L C -0.251 176.761 176.870 0.238 0.000 1.044 322 L CA -0.215 54.785 54.840 0.267 0.000 0.807 322 L CB 1.073 43.337 42.059 0.342 0.000 1.192 322 L HN 0.585 nan 8.230 nan 0.000 0.425 323 E N 2.794 123.114 120.200 0.201 0.000 2.191 323 E HA 0.189 4.539 4.350 -0.000 0.000 0.278 323 E C -1.334 175.448 176.600 0.304 0.000 0.972 323 E CA -0.455 56.080 56.400 0.225 0.000 0.804 323 E CB 2.386 32.183 29.700 0.161 0.000 1.110 323 E HN 0.401 nan 8.360 nan 0.000 0.394 324 W N 3.691 125.072 121.300 0.136 0.000 2.338 324 W HA 0.219 4.879 4.660 -0.000 0.000 0.315 324 W C -0.788 175.829 176.519 0.164 0.000 1.005 324 W CA -1.157 56.289 57.345 0.169 0.000 1.380 324 W CB 0.672 30.236 29.460 0.173 0.000 1.235 324 W HN 0.249 nan 8.180 nan 0.000 0.409 325 S N 4.643 120.665 115.700 0.535 0.000 2.565 325 S HA 0.767 5.237 4.470 -0.000 0.000 0.290 325 S C -1.144 173.775 174.600 0.533 0.000 1.150 325 S CA -0.577 57.854 58.200 0.386 0.000 1.058 325 S CB 2.488 65.825 63.200 0.228 0.000 1.032 325 S HN 0.383 nan 8.310 nan 0.000 0.510 326 F N 2.168 122.224 119.950 0.177 0.000 2.588 326 F HA 0.410 4.937 4.527 -0.000 0.000 0.318 326 F C -0.877 174.965 175.800 0.070 0.000 1.155 326 F CA -0.709 57.374 58.000 0.139 0.000 0.967 326 F CB 1.438 40.478 39.000 0.066 0.000 1.236 326 F HN 0.662 nan 8.300 nan 0.000 0.455 327 N N 4.270 122.660 118.700 -0.516 0.000 2.414 327 N HA 0.089 4.829 4.740 -0.000 0.000 0.256 327 N C 0.644 175.642 175.510 -0.852 0.000 1.029 327 N CA 0.514 53.288 53.050 -0.461 0.000 0.948 327 N CB 1.822 40.139 38.487 -0.284 0.000 1.102 327 N HN 0.839 nan 8.380 nan 0.000 0.496 328 S N 3.024 118.455 115.700 -0.448 0.000 2.414 328 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 328 S C 1.800 176.271 174.600 -0.215 0.000 1.041 328 S CA 2.591 60.653 58.200 -0.230 0.000 1.114 328 S CB -0.384 62.806 63.200 -0.017 0.000 1.064 328 S HN 0.796 nan 8.310 nan 0.000 0.420 329 S N 0.443 116.062 115.700 -0.135 0.000 2.423 329 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 329 S C 2.052 176.607 174.600 -0.074 0.000 1.014 329 S CA 1.574 59.731 58.200 -0.072 0.000 0.965 329 S CB -1.272 61.899 63.200 -0.049 0.000 0.785 329 S HN 0.844 nan 8.310 nan 0.000 0.495 330 T N -1.773 112.710 114.554 -0.118 0.000 2.985 330 T HA 0.354 4.704 4.350 -0.000 0.000 0.266 330 T C 1.735 176.390 174.700 -0.075 0.000 1.076 330 T CA 0.890 62.940 62.100 -0.084 0.000 1.135 330 T CB -0.871 67.948 68.868 -0.081 0.000 0.890 330 T HN 1.233 nan 8.240 nan 0.000 0.480 331 G N 1.128 109.815 108.800 -0.188 0.000 2.137 331 G HA2 0.110 4.070 3.960 -0.000 0.000 0.237 331 G HA3 0.110 4.070 3.960 -0.000 0.000 0.237 331 G C 0.112 175.007 174.900 -0.008 0.000 1.002 331 G CA -0.027 45.039 45.100 -0.057 0.000 0.702 331 G HN 1.213 nan 8.290 nan 0.000 0.515 332 A N -1.164 121.518 122.820 -0.230 0.000 2.346 332 A HA 1.117 5.437 4.320 -0.000 0.000 0.313 332 A C 0.498 178.025 177.584 -0.094 0.000 1.140 332 A CA 0.136 52.123 52.037 -0.084 0.000 0.826 332 A CB 1.951 20.915 19.000 -0.061 0.000 1.332 332 A HN 2.016 nan 8.150 nan 0.000 0.457 333 G N -1.792 107.072 108.800 0.105 0.000 2.559 333 G HA2 0.790 4.750 3.960 -0.000 0.000 0.291 333 G HA3 0.790 4.750 3.960 -0.000 0.000 0.291 333 G C -1.011 174.003 174.900 0.191 0.000 1.424 333 G CA 0.255 45.550 45.100 0.326 0.000 0.786 333 G HN 1.940 nan 8.290 nan 0.000 0.485 334 A N -0.954 122.007 122.820 0.234 0.000 2.593 334 A HA 0.868 5.188 4.320 -0.000 0.000 0.290 334 A C -1.980 175.654 177.584 0.084 0.000 1.126 334 A CA -0.600 51.502 52.037 0.109 0.000 0.695 334 A CB 1.839 20.885 19.000 0.076 0.000 1.290 334 A HN 1.076 nan 8.150 nan 0.000 0.414 335 L N 1.087 122.339 121.223 0.049 0.000 2.415 335 L HA 0.552 4.892 4.340 -0.000 0.000 0.268 335 L C -0.575 176.391 176.870 0.160 0.000 0.984 335 L CA 0.241 55.115 54.840 0.056 0.000 0.853 335 L CB 2.185 44.220 42.059 -0.040 0.000 1.215 335 L HN 0.713 nan 8.230 nan 0.000 0.419 336 T N 2.087 116.718 114.554 0.128 0.000 2.791 336 T HA 0.333 4.683 4.350 -0.000 0.000 0.288 336 T C -0.321 174.426 174.700 0.079 0.000 0.999 336 T CA -0.460 61.687 62.100 0.078 0.000 0.952 336 T CB 1.478 70.379 68.868 0.054 0.000 0.938 336 T HN 0.372 nan 8.240 nan 0.000 0.444 337 Q N 2.486 122.312 119.800 0.043 0.000 2.509 337 Q HA 0.407 4.747 4.340 -0.000 0.000 0.230 337 Q C 1.435 177.412 176.000 -0.039 0.000 1.089 337 Q CA -0.032 55.762 55.803 -0.015 0.000 0.901 337 Q CB 0.204 28.879 28.738 -0.105 0.000 1.208 337 Q HN 1.068 nan 8.270 nan 0.000 0.529 338 G N 2.113 110.905 108.800 -0.014 0.000 3.344 338 G HA2 -0.526 3.434 3.960 -0.000 0.000 0.370 338 G HA3 -0.526 3.434 3.960 -0.000 0.000 0.370 338 G C 0.989 175.871 174.900 -0.029 0.000 1.646 338 G CA 1.723 46.813 45.100 -0.016 0.000 1.686 338 G HN 0.575 nan 8.290 nan 0.000 0.823 339 T N 0.459 114.986 114.554 -0.045 0.000 2.612 339 T HA 0.099 4.449 4.350 -0.000 0.000 0.251 339 T C 1.616 176.268 174.700 -0.079 0.000 1.090 339 T CA 2.158 64.226 62.100 -0.053 0.000 1.198 339 T CB -0.927 67.910 68.868 -0.051 0.000 0.878 339 T HN 0.589 nan 8.240 nan 0.000 0.401 340 T N 2.137 116.625 114.554 -0.110 0.000 2.906 340 T HA 0.326 4.676 4.350 -0.000 0.000 0.329 340 T C -0.006 174.555 174.700 -0.233 0.000 1.091 340 T CA 0.583 62.566 62.100 -0.195 0.000 1.127 340 T CB 0.330 69.064 68.868 -0.225 0.000 1.035 340 T HN 0.579 nan 8.240 nan 0.000 0.547 341 T N 1.378 115.713 114.554 -0.365 0.000 2.868 341 T HA 0.605 4.955 4.350 -0.000 0.000 0.306 341 T C -2.128 172.279 174.700 -0.487 0.000 1.224 341 T CA -0.674 61.244 62.100 -0.303 0.000 1.012 341 T CB 0.853 69.648 68.868 -0.122 0.000 1.221 341 T HN 0.439 nan 8.240 nan 0.000 0.499 342 Y N 1.046 121.331 120.300 -0.025 0.000 2.421 342 Y HA 0.689 5.239 4.550 -0.000 0.000 0.339 342 Y C 0.452 176.319 175.900 -0.055 0.000 0.996 342 Y CA -0.888 57.187 58.100 -0.042 0.000 1.046 342 Y CB 2.019 40.440 38.460 -0.065 0.000 1.226 342 Y HN 0.948 nan 8.280 nan 0.000 0.445 343 A N 4.915 127.808 122.820 0.122 0.000 2.351 343 A HA 0.744 5.064 4.320 -0.000 0.000 0.257 343 A C -0.341 177.240 177.584 -0.004 0.000 1.087 343 A CA -0.322 51.733 52.037 0.031 0.000 0.798 343 A CB 0.645 19.698 19.000 0.089 0.000 1.033 343 A HN 0.719 nan 8.150 nan 0.000 0.488 344 M N 2.049 121.566 119.600 -0.137 0.000 2.371 344 M HA 0.441 4.921 4.480 -0.000 0.000 0.287 344 M C -2.170 174.028 176.300 -0.171 0.000 1.149 344 M CA -0.279 55.010 55.300 -0.019 0.000 0.929 344 M CB 1.725 34.402 32.600 0.129 0.000 1.683 344 M HN 0.915 nan 8.290 nan 0.000 0.470 345 H N 1.528 120.744 119.070 0.242 0.000 2.572 345 H HA 0.830 5.386 4.556 -0.000 0.000 0.359 345 H C 0.165 175.670 175.328 0.296 0.000 1.134 345 H CA -0.049 56.152 56.048 0.254 0.000 1.187 345 H CB 2.174 32.028 29.762 0.153 0.000 1.597 345 H HN 0.901 nan 8.280 nan 0.000 0.524 346 G N 0.220 109.303 108.800 0.472 0.000 3.262 346 G HA2 0.282 4.242 3.960 -0.000 0.000 0.229 346 G HA3 0.282 4.242 3.960 -0.000 0.000 0.229 346 G C -0.779 174.277 174.900 0.260 0.000 1.280 346 G CA -0.853 44.449 45.100 0.337 0.000 0.951 346 G HN 0.631 nan 8.290 nan 0.000 0.589 347 Q N -0.755 119.152 119.800 0.178 0.000 2.474 347 Q HA 0.385 4.725 4.340 -0.000 0.000 0.256 347 Q C -0.742 175.346 176.000 0.146 0.000 1.048 347 Q CA 0.567 56.439 55.803 0.115 0.000 0.922 347 Q CB 0.409 29.176 28.738 0.047 0.000 1.288 347 Q HN 0.399 nan 8.270 nan 0.000 0.484 348 Q N 1.789 121.639 119.800 0.084 0.000 2.350 348 Q HA 0.404 4.744 4.340 -0.000 0.000 0.255 348 Q C -0.358 175.663 176.000 0.036 0.000 0.951 348 Q CA -0.031 55.809 55.803 0.062 0.000 0.751 348 Q CB 1.785 30.557 28.738 0.056 0.000 1.296 348 Q HN 1.062 nan 8.270 nan 0.000 0.453 349 G N 2.689 111.506 108.800 0.028 0.000 2.552 349 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.265 349 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.265 349 G C 0.119 175.025 174.900 0.011 0.000 1.234 349 G CA 0.272 45.381 45.100 0.015 0.000 0.944 349 G HN 0.782 nan 8.290 nan 0.000 0.568 350 N N 1.144 119.846 118.700 0.003 0.000 2.501 350 N HA 0.180 4.920 4.740 -0.000 0.000 0.195 350 N C -0.143 175.364 175.510 -0.006 0.000 1.213 350 N CA 0.418 53.465 53.050 -0.005 0.000 0.864 350 N CB 0.169 38.651 38.487 -0.009 0.000 0.999 350 N HN 0.467 nan 8.380 nan 0.000 0.454 351 D N 1.000 121.402 120.400 0.003 0.000 2.468 351 D HA 0.103 4.743 4.640 -0.000 0.000 0.218 351 D C 1.007 177.311 176.300 0.006 0.000 1.155 351 D CA -0.217 53.785 54.000 0.004 0.000 0.924 351 D CB 0.462 41.269 40.800 0.011 0.000 1.029 351 D HN 0.102 nan 8.370 nan 0.000 0.515 352 L N 2.633 123.850 121.223 -0.010 0.000 2.291 352 L HA -0.040 4.300 4.340 -0.000 0.000 0.214 352 L C 1.819 178.687 176.870 -0.003 0.000 1.120 352 L CA 0.322 55.152 54.840 -0.016 0.000 0.799 352 L CB -0.399 41.636 42.059 -0.041 0.000 0.925 352 L HN 0.309 nan 8.230 nan 0.000 0.446 353 N N 1.029 119.728 118.700 -0.002 0.000 2.443 353 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 353 N C 1.750 177.276 175.510 0.026 0.000 1.037 353 N CA 1.054 54.108 53.050 0.007 0.000 0.896 353 N CB 0.066 38.554 38.487 0.003 0.000 0.959 353 N HN 0.296 nan 8.380 nan 0.000 0.442 354 A N -0.344 122.499 122.820 0.038 0.000 2.121 354 A HA 0.171 4.491 4.320 -0.000 0.000 0.218 354 A C 1.320 178.966 177.584 0.103 0.000 1.154 354 A CA 0.783 52.857 52.037 0.061 0.000 0.679 354 A CB -0.939 18.106 19.000 0.075 0.000 0.795 354 A HN 0.322 nan 8.150 nan 0.000 0.458 355 G N -0.021 108.840 108.800 0.102 0.000 2.441 355 G HA2 0.424 4.384 3.960 -0.000 0.000 0.243 355 G HA3 0.424 4.384 3.960 -0.000 0.000 0.243 355 G C -0.129 174.851 174.900 0.133 0.000 1.281 355 G CA -0.306 44.878 45.100 0.140 0.000 0.854 355 G HN 0.435 nan 8.290 nan 0.000 0.560 356 K N 0.915 121.427 120.400 0.187 0.000 2.295 356 K HA 0.282 4.602 4.320 -0.000 0.000 0.239 356 K C -0.402 176.272 176.600 0.124 0.000 0.991 356 K CA -0.983 55.385 56.287 0.136 0.000 0.845 356 K CB 1.429 34.011 32.500 0.137 0.000 1.197 356 K HN 0.427 nan 8.250 nan 0.000 0.441 357 N N 1.218 119.960 118.700 0.070 0.000 2.513 357 N HA 0.296 5.036 4.740 -0.000 0.000 0.274 357 N C -0.605 174.858 175.510 -0.078 0.000 1.189 357 N CA -0.118 52.946 53.050 0.025 0.000 0.975 357 N CB 0.633 39.122 38.487 0.002 0.000 1.157 357 N HN 0.313 nan 8.380 nan 0.000 0.465 358 L N 1.506 122.609 121.223 -0.200 0.000 2.346 358 L HA 0.568 4.908 4.340 -0.000 0.000 0.274 358 L C -0.225 176.218 176.870 -0.711 0.000 1.007 358 L CA -0.707 53.804 54.840 -0.548 0.000 0.818 358 L CB 1.603 43.154 42.059 -0.848 0.000 1.284 358 L HN 0.305 nan 8.230 nan 0.000 0.424 359 I N 2.491 122.606 120.570 -0.758 0.000 2.411 359 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 359 I C -0.981 174.694 176.117 -0.736 0.000 1.012 359 I CA -0.234 60.702 61.300 -0.606 0.000 1.119 359 I CB 1.230 39.043 38.000 -0.311 0.000 1.261 359 I HN 0.324 nan 8.210 nan 0.000 0.448 360 F N 5.701 125.319 119.950 -0.553 0.000 2.420 360 F HA 0.492 5.019 4.527 -0.000 0.000 0.342 360 F C 0.601 176.249 175.800 -0.253 0.000 1.113 360 F CA -0.343 57.316 58.000 -0.570 0.000 1.059 360 F CB 1.295 39.599 39.000 -1.160 0.000 1.128 360 F HN 0.479 nan 8.300 nan 0.000 0.475 361 Q N 1.829 121.765 119.800 0.226 0.000 2.893 361 Q HA 0.789 5.129 4.340 -0.000 0.000 0.331 361 Q C -0.565 175.688 176.000 0.421 0.000 0.893 361 Q CA -1.338 54.653 55.803 0.313 0.000 0.783 361 Q CB 2.097 30.915 28.738 0.134 0.000 1.440 361 Q HN 0.989 nan 8.270 nan 0.000 0.508 362 G N 0.923 109.885 108.800 0.271 0.000 2.999 362 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 362 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 362 G C -1.032 173.947 174.900 0.132 0.000 1.057 362 G CA -0.471 44.762 45.100 0.221 0.000 0.784 362 G HN 0.522 nan 8.290 nan 0.000 0.575 363 Q N 1.427 121.276 119.800 0.082 0.000 2.362 363 Q HA 0.231 4.571 4.340 -0.000 0.000 0.305 363 Q C 1.036 176.965 176.000 -0.119 0.000 1.120 363 Q CA 1.120 56.928 55.803 0.009 0.000 1.011 363 Q CB 0.010 28.768 28.738 0.034 0.000 1.048 363 Q HN 0.757 nan 8.270 nan 0.000 0.386 364 N N 1.220 119.793 118.700 -0.213 0.000 2.696 364 N HA -0.160 4.580 4.740 -0.000 0.000 0.256 364 N C 0.029 175.071 175.510 -0.781 0.000 1.031 364 N CA 1.000 53.831 53.050 -0.364 0.000 0.730 364 N CB -1.034 37.322 38.487 -0.217 0.000 0.894 364 N HN 0.743 nan 8.380 nan 0.000 0.544 365 G N -0.230 107.804 108.800 -1.276 0.000 2.712 365 G HA2 0.360 4.320 3.960 -0.000 0.000 0.258 365 G HA3 0.360 4.320 3.960 -0.000 0.000 0.258 365 G C -0.134 173.801 174.900 -1.609 0.000 1.241 365 G CA 0.108 43.852 45.100 -2.260 0.000 0.923 365 G HN 0.265 nan 8.290 nan 0.000 0.548 366 Q N -1.042 117.994 119.800 -1.273 0.000 2.443 366 Q HA 0.356 4.696 4.340 -0.000 0.000 0.258 366 Q C -1.548 174.460 176.000 0.015 0.000 0.967 366 Q CA -0.354 55.175 55.803 -0.456 0.000 0.951 366 Q CB 2.062 30.567 28.738 -0.390 0.000 1.459 366 Q HN 0.537 nan 8.270 nan 0.000 0.415 367 I N 2.333 122.965 120.570 0.104 0.000 2.656 367 I HA 0.407 4.577 4.170 -0.000 0.000 0.292 367 I C -0.690 175.512 176.117 0.143 0.000 1.144 367 I CA -0.713 60.707 61.300 0.199 0.000 1.038 367 I CB 2.529 40.638 38.000 0.181 0.000 1.244 367 I HN 0.482 nan 8.210 nan 0.000 0.420 368 N N 5.024 123.831 118.700 0.179 0.000 2.284 368 N HA 0.598 5.338 4.740 -0.000 0.000 0.300 368 N C -1.686 173.933 175.510 0.183 0.000 1.047 368 N CA -0.477 52.644 53.050 0.119 0.000 0.821 368 N CB 1.574 40.109 38.487 0.081 0.000 1.337 368 N HN 0.380 nan 8.380 nan 0.000 0.482 369 L N 3.487 124.769 121.223 0.099 0.000 2.265 369 L HA 0.382 4.722 4.340 -0.000 0.000 0.288 369 L C 1.302 178.214 176.870 0.068 0.000 1.058 369 L CA 0.096 54.989 54.840 0.089 0.000 0.809 369 L CB 1.188 43.199 42.059 -0.081 0.000 1.179 369 L HN 0.693 nan 8.230 nan 0.000 0.429 370 K N 1.187 121.659 120.400 0.119 0.000 2.137 370 K HA 0.099 4.419 4.320 -0.000 0.000 0.202 370 K C -0.314 176.322 176.600 0.060 0.000 1.052 370 K CA 0.727 57.066 56.287 0.086 0.000 0.961 370 K CB 0.129 32.695 32.500 0.111 0.000 0.741 370 K HN 0.604 nan 8.250 nan 0.000 0.452 371 D N -0.113 120.326 120.400 0.066 0.000 2.350 371 D HA 0.172 4.812 4.640 -0.000 0.000 0.238 371 D C -1.041 175.249 176.300 -0.015 0.000 0.989 371 D CA -0.480 53.556 54.000 0.061 0.000 0.921 371 D CB 1.780 42.670 40.800 0.150 0.000 1.297 371 D HN -0.205 nan 8.370 nan 0.000 0.490 372 S N 0.572 116.267 115.700 -0.007 0.000 2.546 372 S HA 0.137 4.607 4.470 -0.000 0.000 0.290 372 S C -0.217 174.287 174.600 -0.160 0.000 1.262 372 S CA -0.422 57.734 58.200 -0.073 0.000 1.083 372 S CB 0.260 63.442 63.200 -0.030 0.000 0.859 372 S HN 0.177 nan 8.310 nan 0.000 0.495 373 V N 4.167 123.824 119.914 -0.428 0.000 2.427 373 V HA 0.303 4.423 4.120 -0.000 0.000 0.286 373 V C 0.207 175.776 176.094 -0.875 0.000 1.034 373 V CA -0.360 61.373 62.300 -0.944 0.000 0.893 373 V CB 1.902 33.105 31.823 -1.035 0.000 0.982 373 V HN 0.817 nan 8.190 nan 0.000 0.452 374 S N 3.474 118.572 115.700 -1.003 0.000 2.528 374 S HA 0.234 4.704 4.470 -0.000 0.000 0.303 374 S C 0.634 174.929 174.600 -0.509 0.000 1.123 374 S CA -0.288 57.576 58.200 -0.560 0.000 1.138 374 S CB 0.982 64.064 63.200 -0.196 0.000 0.984 374 S HN 0.837 nan 8.310 nan 0.000 0.474 375 Q N 2.696 122.126 119.800 -0.616 0.000 2.444 375 Q HA 0.236 4.576 4.340 -0.000 0.000 0.206 375 Q C 1.337 177.253 176.000 -0.141 0.000 0.948 375 Q CA 0.699 56.313 55.803 -0.316 0.000 0.946 375 Q CB -0.084 28.552 28.738 -0.169 0.000 1.027 375 Q HN 0.989 nan 8.270 nan 0.000 0.513 376 G N 0.505 109.196 108.800 -0.181 0.000 2.591 376 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.298 376 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.298 376 G C 0.503 175.346 174.900 -0.094 0.000 1.195 376 G CA 0.257 45.299 45.100 -0.097 0.000 0.989 376 G HN 0.710 nan 8.290 nan 0.000 0.551 377 A N 1.028 123.821 122.820 -0.044 0.000 2.379 377 A HA 0.646 4.966 4.320 -0.000 0.000 0.236 377 A C 1.429 179.012 177.584 -0.003 0.000 1.272 377 A CA 1.447 53.456 52.037 -0.047 0.000 0.886 377 A CB -0.531 18.435 19.000 -0.057 0.000 0.962 377 A HN 2.125 nan 8.150 nan 0.000 0.504 378 G N 0.630 109.457 108.800 0.044 0.000 2.442 378 G HA2 0.420 4.380 3.960 -0.000 0.000 0.249 378 G HA3 0.420 4.380 3.960 -0.000 0.000 0.249 378 G C 0.267 175.273 174.900 0.178 0.000 1.263 378 G CA 0.600 45.766 45.100 0.109 0.000 0.846 378 G HN 0.669 nan 8.290 nan 0.000 0.555 379 S N 1.126 116.918 115.700 0.154 0.000 2.648 379 S HA 0.765 5.235 4.470 -0.000 0.000 0.305 379 S C -0.362 174.331 174.600 0.155 0.000 1.094 379 S CA -0.980 57.335 58.200 0.191 0.000 0.983 379 S CB 1.664 64.909 63.200 0.075 0.000 1.101 379 S HN 0.495 nan 8.310 nan 0.000 0.514 380 L N 0.999 122.291 121.223 0.114 0.000 2.331 380 L HA 0.665 5.005 4.340 -0.000 0.000 0.275 380 L C -0.368 176.405 176.870 -0.162 0.000 1.022 380 L CA -0.614 54.190 54.840 -0.060 0.000 0.812 380 L CB 2.018 44.057 42.059 -0.033 0.000 1.257 380 L HN 0.719 nan 8.230 nan 0.000 0.435 381 T N 1.752 116.102 114.554 -0.339 0.000 2.928 381 T HA 0.539 4.889 4.350 -0.000 0.000 0.296 381 T C -0.950 173.527 174.700 -0.372 0.000 1.000 381 T CA -0.343 61.622 62.100 -0.225 0.000 0.989 381 T CB 0.906 69.678 68.868 -0.161 0.000 1.005 381 T HN 0.129 nan 8.240 nan 0.000 0.442 382 F N 2.439 122.386 119.950 -0.004 0.000 2.402 382 F HA 0.452 4.979 4.527 -0.000 0.000 0.355 382 F C 1.582 177.391 175.800 0.016 0.000 1.123 382 F CA -0.894 57.104 58.000 -0.004 0.000 1.021 382 F CB 1.517 40.498 39.000 -0.031 0.000 1.160 382 F HN 0.361 nan 8.300 nan 0.000 0.451 383 R N 0.864 121.470 120.500 0.176 0.000 2.312 383 R HA 0.183 4.523 4.340 -0.000 0.000 0.205 383 R C -0.641 175.766 176.300 0.178 0.000 0.904 383 R CA 0.291 56.471 56.100 0.133 0.000 1.052 383 R CB 0.228 30.570 30.300 0.071 0.000 1.014 383 R HN 0.564 nan 8.270 nan 0.000 0.503 384 D N -0.043 120.528 120.400 0.285 0.000 2.583 384 D HA 0.173 4.813 4.640 -0.000 0.000 0.248 384 D C -1.102 175.411 176.300 0.355 0.000 1.209 384 D CA -0.741 53.421 54.000 0.270 0.000 0.848 384 D CB 1.232 42.190 40.800 0.263 0.000 1.431 384 D HN -0.210 nan 8.370 nan 0.000 0.436 385 N N 0.295 119.100 118.700 0.175 0.000 2.492 385 N HA 0.263 5.003 4.740 -0.000 0.000 0.262 385 N C -1.012 174.538 175.510 0.067 0.000 1.202 385 N CA 0.615 53.713 53.050 0.080 0.000 0.926 385 N CB 0.294 38.771 38.487 -0.016 0.000 1.078 385 N HN 0.263 nan 8.380 nan 0.000 0.454 386 Y N -0.679 119.506 120.300 -0.192 0.000 2.625 386 Y HA 0.467 5.017 4.550 -0.000 0.000 0.338 386 Y C -0.383 175.359 175.900 -0.263 0.000 1.123 386 Y CA -0.639 57.320 58.100 -0.236 0.000 1.046 386 Y CB 2.020 40.353 38.460 -0.211 0.000 1.299 386 Y HN 0.309 nan 8.280 nan 0.000 0.464 387 T N 1.863 116.354 114.554 -0.105 0.000 2.881 387 T HA 0.585 4.935 4.350 -0.000 0.000 0.290 387 T C -1.562 173.091 174.700 -0.079 0.000 1.000 387 T CA -0.660 61.377 62.100 -0.104 0.000 0.978 387 T CB 1.325 70.119 68.868 -0.124 0.000 0.997 387 T HN 0.279 nan 8.240 nan 0.000 0.443 388 V N 3.839 123.687 119.914 -0.109 0.000 2.349 388 V HA 0.535 4.655 4.120 -0.000 0.000 0.284 388 V C 0.600 176.539 176.094 -0.258 0.000 1.014 388 V CA -0.852 61.346 62.300 -0.170 0.000 0.826 388 V CB 1.143 32.795 31.823 -0.285 0.000 1.009 388 V HN 1.107 nan 8.190 nan 0.000 0.431 389 T N 0.947 115.405 114.554 -0.160 0.000 2.944 389 T HA 0.793 5.143 4.350 -0.000 0.000 0.284 389 T C -0.232 174.387 174.700 -0.135 0.000 1.010 389 T CA -0.631 61.384 62.100 -0.142 0.000 1.025 389 T CB 1.958 70.782 68.868 -0.073 0.000 1.079 389 T HN 0.541 nan 8.240 nan 0.000 0.516 390 T N 1.207 115.688 114.554 -0.123 0.000 4.054 390 T HA 0.331 4.681 4.350 -0.000 0.000 0.353 390 T C 0.638 175.296 174.700 -0.070 0.000 0.979 390 T CA -0.705 61.337 62.100 -0.096 0.000 1.047 390 T CB 1.149 69.935 68.868 -0.137 0.000 1.121 390 T HN 0.755 nan 8.240 nan 0.000 0.469 391 S N 1.514 117.189 115.700 -0.042 0.000 2.511 391 S HA 0.022 4.492 4.470 -0.000 0.000 0.214 391 S C 1.298 175.882 174.600 -0.027 0.000 0.997 391 S CA -0.220 57.960 58.200 -0.033 0.000 0.908 391 S CB -0.119 63.069 63.200 -0.020 0.000 0.803 391 S HN 0.601 nan 8.310 nan 0.000 0.504 392 N N 1.875 120.560 118.700 -0.026 0.000 2.412 392 N HA 0.302 5.042 4.740 -0.000 0.000 0.184 392 N C 1.157 176.651 175.510 -0.026 0.000 1.101 392 N CA 0.567 53.607 53.050 -0.018 0.000 0.881 392 N CB -0.327 38.155 38.487 -0.008 0.000 0.969 392 N HN 0.496 nan 8.380 nan 0.000 0.459 393 G N 0.214 108.990 108.800 -0.040 0.000 2.221 393 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.265 393 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.265 393 G C -0.329 174.543 174.900 -0.047 0.000 1.041 393 G CA 0.180 45.253 45.100 -0.046 0.000 0.807 393 G HN 0.305 nan 8.290 nan 0.000 0.502 394 S N 1.160 116.827 115.700 -0.055 0.000 2.515 394 S HA 0.435 4.905 4.470 -0.000 0.000 0.285 394 S C 1.222 175.774 174.600 -0.080 0.000 1.265 394 S CA 0.501 58.662 58.200 -0.065 0.000 1.079 394 S CB 0.674 63.827 63.200 -0.079 0.000 0.877 394 S HN 0.960 nan 8.310 nan 0.000 0.493 395 T N 1.236 115.757 114.554 -0.056 0.000 2.770 395 T HA 0.540 4.890 4.350 -0.000 0.000 0.281 395 T C -0.530 174.180 174.700 0.017 0.000 0.981 395 T CA -0.804 61.285 62.100 -0.018 0.000 0.955 395 T CB 0.525 69.391 68.868 -0.003 0.000 1.060 395 T HN 0.751 nan 8.240 nan 0.000 0.531 396 W N 0.734 121.985 121.300 -0.081 0.000 3.274 396 W HA 0.500 5.160 4.660 -0.000 0.000 0.327 396 W C -1.118 175.433 176.519 0.053 0.000 1.172 396 W CA -0.461 56.845 57.345 -0.066 0.000 1.217 396 W CB 1.725 31.199 29.460 0.023 0.000 1.376 396 W HN 1.174 nan 8.180 nan 0.000 0.507 397 T N 2.256 116.318 114.554 -0.819 0.000 2.864 397 T HA 0.950 5.300 4.350 -0.000 0.000 0.299 397 T C -0.388 173.246 174.700 -1.777 0.000 1.166 397 T CA -0.173 61.380 62.100 -0.912 0.000 1.007 397 T CB 1.663 70.288 68.868 -0.405 0.000 1.219 397 T HN 1.408 nan 8.240 nan 0.000 0.506 398 G N -0.676 107.437 108.800 -1.145 0.000 2.321 398 G HA2 0.605 4.565 3.960 -0.000 0.000 0.296 398 G HA3 0.605 4.565 3.960 -0.000 0.000 0.296 398 G C 0.553 175.329 174.900 -0.205 0.000 1.287 398 G CA -0.065 44.592 45.100 -0.739 0.000 0.846 398 G HN 1.185 nan 8.290 nan 0.000 0.508 399 A N -1.398 121.409 122.820 -0.022 0.000 1.930 399 A HA 0.577 4.897 4.320 -0.000 0.000 0.217 399 A C 1.564 179.178 177.584 0.050 0.000 1.175 399 A CA 2.471 54.492 52.037 -0.027 0.000 0.627 399 A CB -0.570 18.416 19.000 -0.022 0.000 0.815 399 A HN 2.576 nan 8.150 nan 0.000 0.443 400 G N -2.469 106.491 108.800 0.267 0.000 2.320 400 G HA2 0.434 4.394 3.960 -0.000 0.000 0.297 400 G HA3 0.434 4.394 3.960 -0.000 0.000 0.297 400 G C -1.580 173.421 174.900 0.168 0.000 1.344 400 G CA -0.568 44.682 45.100 0.249 0.000 0.851 400 G HN 0.281 nan 8.290 nan 0.000 0.567 401 I N -0.136 120.442 120.570 0.013 0.000 2.530 401 I HA 0.592 4.762 4.170 -0.000 0.000 0.297 401 I C -0.083 176.027 176.117 -0.012 0.000 1.011 401 I CA -1.085 60.173 61.300 -0.071 0.000 1.107 401 I CB 2.232 40.065 38.000 -0.278 0.000 1.285 401 I HN 0.306 nan 8.210 nan 0.000 0.436 402 V N 6.272 126.200 119.914 0.023 0.000 2.417 402 V HA 0.463 4.583 4.120 -0.000 0.000 0.291 402 V C -0.348 175.799 176.094 0.089 0.000 1.024 402 V CA -0.753 61.564 62.300 0.029 0.000 0.861 402 V CB 1.796 33.623 31.823 0.007 0.000 0.985 402 V HN 0.394 nan 8.190 nan 0.000 0.436 403 V N 3.660 123.612 119.914 0.063 0.000 2.357 403 V HA 0.362 4.482 4.120 -0.000 0.000 0.284 403 V C -0.213 175.917 176.094 0.062 0.000 1.018 403 V CA -0.833 61.522 62.300 0.093 0.000 0.841 403 V CB 1.437 33.278 31.823 0.029 0.000 0.991 403 V HN 0.818 nan 8.190 nan 0.000 0.437 404 D N 3.078 123.525 120.400 0.079 0.000 2.419 404 D HA -0.044 4.596 4.640 -0.000 0.000 0.236 404 D C 0.704 177.027 176.300 0.039 0.000 1.165 404 D CA 0.372 54.403 54.000 0.050 0.000 0.882 404 D CB 0.385 41.218 40.800 0.055 0.000 1.201 404 D HN 0.624 nan 8.370 nan 0.000 0.443 405 N N 0.500 119.216 118.700 0.026 0.000 2.359 405 N HA -0.005 4.735 4.740 -0.000 0.000 0.261 405 N C 0.860 176.384 175.510 0.024 0.000 1.267 405 N CA 0.910 53.972 53.050 0.020 0.000 0.864 405 N CB 0.225 38.721 38.487 0.015 0.000 1.063 405 N HN 0.611 nan 8.380 nan 0.000 0.474 406 G N 1.954 110.766 108.800 0.019 0.000 2.136 406 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 406 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 406 G C -0.286 174.629 174.900 0.025 0.000 0.989 406 G CA 0.212 45.324 45.100 0.019 0.000 0.682 406 G HN 0.550 nan 8.290 nan 0.000 0.522 407 V N 0.583 120.514 119.914 0.029 0.000 2.628 407 V HA 0.815 4.935 4.120 -0.000 0.000 0.306 407 V C 0.178 176.278 176.094 0.010 0.000 1.045 407 V CA -0.157 62.166 62.300 0.038 0.000 0.905 407 V CB 2.105 33.975 31.823 0.079 0.000 0.997 407 V HN 0.518 nan 8.190 nan 0.000 0.436 408 S N 2.648 118.344 115.700 -0.007 0.000 2.521 408 S HA 0.788 5.258 4.470 -0.000 0.000 0.295 408 S C -0.866 173.683 174.600 -0.085 0.000 1.098 408 S CA -0.715 57.461 58.200 -0.041 0.000 0.999 408 S CB 2.052 65.233 63.200 -0.031 0.000 1.034 408 S HN 0.428 nan 8.310 nan 0.000 0.483 409 V N 2.646 122.478 119.914 -0.137 0.000 2.525 409 V HA 0.404 4.524 4.120 -0.000 0.000 0.299 409 V C -0.511 175.511 176.094 -0.120 0.000 1.034 409 V CA -0.804 61.352 62.300 -0.241 0.000 0.863 409 V CB 1.683 33.178 31.823 -0.546 0.000 0.999 409 V HN 0.935 nan 8.190 nan 0.000 0.423 410 N N 4.774 123.423 118.700 -0.085 0.000 2.414 410 N HA 0.234 4.974 4.740 -0.000 0.000 0.256 410 N C -0.926 174.610 175.510 0.045 0.000 1.029 410 N CA -0.473 52.567 53.050 -0.018 0.000 0.948 410 N CB 0.644 39.104 38.487 -0.044 0.000 1.102 410 N HN 0.783 nan 8.380 nan 0.000 0.496 411 W N 5.227 126.445 121.300 -0.137 0.000 2.336 411 W HA 0.291 4.951 4.660 -0.000 0.000 0.315 411 W C -1.014 175.454 176.519 -0.085 0.000 1.016 411 W CA -0.503 56.764 57.345 -0.131 0.000 1.318 411 W CB 1.125 30.514 29.460 -0.117 0.000 1.247 411 W HN 0.595 nan 8.180 nan 0.000 0.414 412 Q N 4.455 124.033 119.800 -0.371 0.000 2.263 412 Q HA 0.219 4.559 4.340 -0.000 0.000 0.337 412 Q C -0.657 175.101 176.000 -0.403 0.000 0.906 412 Q CA -0.174 55.458 55.803 -0.285 0.000 1.124 412 Q CB 1.556 30.179 28.738 -0.191 0.000 1.255 412 Q HN 0.088 nan 8.270 nan 0.000 0.435 413 V N 1.322 120.842 119.914 -0.657 0.000 2.483 413 V HA 0.263 4.383 4.120 -0.000 0.000 0.297 413 V C -0.231 175.744 176.094 -0.200 0.000 1.027 413 V CA -0.998 60.982 62.300 -0.534 0.000 0.855 413 V CB 1.874 33.165 31.823 -0.886 0.000 0.995 413 V HN 0.375 nan 8.190 nan 0.000 0.424 414 N N 2.333 120.977 118.700 -0.092 0.000 2.317 414 N HA 0.439 5.179 4.740 -0.000 0.000 0.245 414 N C 0.614 176.197 175.510 0.121 0.000 1.294 414 N CA 0.568 53.616 53.050 -0.002 0.000 0.924 414 N CB 1.026 39.486 38.487 -0.045 0.000 1.186 414 N HN 0.784 nan 8.380 nan 0.000 0.495 415 G N -1.071 107.810 108.800 0.135 0.000 2.882 415 G HA2 0.563 4.523 3.960 -0.000 0.000 0.164 415 G HA3 0.563 4.523 3.960 -0.000 0.000 0.164 415 G C -1.025 173.935 174.900 0.099 0.000 1.429 415 G CA -0.181 45.037 45.100 0.198 0.000 1.059 415 G HN 0.369 nan 8.290 nan 0.000 0.581 416 V N -0.314 119.651 119.914 0.085 0.000 2.950 416 V HA 0.278 4.398 4.120 -0.000 0.000 0.295 416 V C -0.307 175.815 176.094 0.047 0.000 1.297 416 V CA -1.068 61.257 62.300 0.042 0.000 0.962 416 V CB 1.961 33.791 31.823 0.011 0.000 1.081 416 V HN 0.803 nan 8.190 nan 0.000 0.432 417 K N 2.217 122.636 120.400 0.031 0.000 2.511 417 K HA 0.291 4.611 4.320 -0.000 0.000 0.280 417 K C 1.229 177.845 176.600 0.027 0.000 1.008 417 K CA 1.586 57.891 56.287 0.031 0.000 1.050 417 K CB 0.183 32.694 32.500 0.018 0.000 0.889 417 K HN 1.435 nan 8.250 nan 0.000 0.484 418 G N 2.843 111.663 108.800 0.034 0.000 2.199 418 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.254 418 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.254 418 G C -0.038 174.877 174.900 0.026 0.000 0.982 418 G CA 0.462 45.576 45.100 0.023 0.000 0.632 418 G HN 0.775 nan 8.290 nan 0.000 0.529 419 D N -0.093 120.332 120.400 0.041 0.000 2.440 419 D HA 0.635 5.275 4.640 -0.000 0.000 0.258 419 D C -0.172 176.186 176.300 0.096 0.000 1.092 419 D CA -0.682 53.348 54.000 0.049 0.000 1.016 419 D CB 0.613 41.431 40.800 0.031 0.000 1.141 419 D HN 0.013 nan 8.370 nan 0.000 0.552 420 N N 0.889 119.666 118.700 0.129 0.000 2.454 420 N HA 0.246 4.986 4.740 -0.000 0.000 0.291 420 N C -1.530 174.141 175.510 0.270 0.000 1.079 420 N CA -0.599 52.553 53.050 0.170 0.000 0.893 420 N CB 1.721 40.308 38.487 0.167 0.000 1.512 420 N HN 0.369 nan 8.380 nan 0.000 0.497 421 L N 3.340 124.708 121.223 0.242 0.000 2.360 421 L HA 0.268 4.608 4.340 -0.000 0.000 0.276 421 L C -0.222 176.789 176.870 0.234 0.000 1.121 421 L CA 0.222 55.228 54.840 0.277 0.000 0.845 421 L CB 0.005 42.227 42.059 0.270 0.000 1.143 421 L HN 0.479 nan 8.230 nan 0.000 0.452 422 H N 5.225 124.329 119.070 0.056 0.000 2.488 422 H HA 0.342 4.898 4.556 -0.000 0.000 0.322 422 H C -0.702 174.617 175.328 -0.015 0.000 1.078 422 H CA -0.951 55.110 56.048 0.021 0.000 1.260 422 H CB 1.523 31.330 29.762 0.076 0.000 1.425 422 H HN 0.436 nan 8.280 nan 0.000 0.471 423 K N 4.972 125.382 120.400 0.017 0.000 2.270 423 K HA 0.414 4.734 4.320 -0.000 0.000 0.255 423 K C -0.880 175.709 176.600 -0.018 0.000 0.936 423 K CA -0.473 55.794 56.287 -0.034 0.000 0.809 423 K CB 1.299 33.742 32.500 -0.095 0.000 1.131 423 K HN 0.757 nan 8.250 nan 0.000 0.427 424 I N -1.452 119.112 120.570 -0.010 0.000 3.486 424 I HA 0.734 4.904 4.170 -0.000 0.000 0.316 424 I C 0.125 176.239 176.117 -0.006 0.000 1.230 424 I CA -0.740 60.556 61.300 -0.006 0.000 0.948 424 I CB 1.380 39.381 38.000 0.002 0.000 1.340 424 I HN 0.716 nan 8.210 nan 0.000 0.474 425 G N 0.918 109.716 108.800 -0.005 0.000 2.819 425 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.682 425 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.682 425 G C -0.212 174.688 174.900 0.000 0.000 1.481 425 G CA 0.338 45.438 45.100 0.001 0.000 0.904 425 G HN 0.944 nan 8.290 nan 0.000 0.563 426 E N 0.265 120.468 120.200 0.005 0.000 2.474 426 E HA 0.236 4.586 4.350 -0.000 0.000 0.194 426 E C 1.870 178.473 176.600 0.005 0.000 1.041 426 E CA 0.307 56.709 56.400 0.004 0.000 0.874 426 E CB 0.311 30.015 29.700 0.006 0.000 0.914 426 E HN 0.787 nan 8.360 nan 0.000 0.498 427 G N 0.491 109.295 108.800 0.008 0.000 2.516 427 G HA2 0.169 4.129 3.960 -0.000 0.000 0.276 427 G HA3 0.169 4.129 3.960 -0.000 0.000 0.276 427 G C -0.195 174.700 174.900 -0.008 0.000 1.390 427 G CA -0.278 44.825 45.100 0.005 0.000 1.050 427 G HN -0.045 nan 8.290 nan 0.000 0.519 428 T N 0.110 114.654 114.554 -0.016 0.000 2.807 428 T HA 0.431 4.781 4.350 -0.000 0.000 0.279 428 T C -0.880 173.794 174.700 -0.044 0.000 0.993 428 T CA -0.214 61.873 62.100 -0.022 0.000 0.970 428 T CB 1.627 70.487 68.868 -0.014 0.000 0.950 428 T HN 0.349 nan 8.240 nan 0.000 0.441 429 L N 3.788 124.984 121.223 -0.046 0.000 2.294 429 L HA 0.480 4.820 4.340 -0.000 0.000 0.283 429 L C -0.109 176.760 176.870 -0.003 0.000 1.015 429 L CA -0.047 54.756 54.840 -0.062 0.000 0.831 429 L CB 1.072 43.069 42.059 -0.104 0.000 1.217 429 L HN 0.585 nan 8.230 nan 0.000 0.420 430 T N 4.696 119.258 114.554 0.013 0.000 2.723 430 T HA 0.317 4.667 4.350 -0.000 0.000 0.297 430 T C -0.035 174.724 174.700 0.098 0.000 0.925 430 T CA -0.267 61.858 62.100 0.042 0.000 1.030 430 T CB 0.588 69.466 68.868 0.017 0.000 0.905 430 T HN 0.311 nan 8.240 nan 0.000 0.502 431 V N 4.884 124.874 119.914 0.126 0.000 2.389 431 V HA 0.257 4.377 4.120 -0.000 0.000 0.264 431 V C 0.585 176.725 176.094 0.077 0.000 1.049 431 V CA -0.130 62.275 62.300 0.174 0.000 0.932 431 V CB 0.968 32.939 31.823 0.246 0.000 1.011 431 V HN 0.868 nan 8.190 nan 0.000 0.475 432 Q N 3.735 123.563 119.800 0.048 0.000 2.719 432 Q HA 0.384 4.724 4.340 -0.000 0.000 0.376 432 Q C 0.431 176.397 176.000 -0.057 0.000 0.856 432 Q CA -0.286 55.510 55.803 -0.012 0.000 1.038 432 Q CB 0.922 29.651 28.738 -0.014 0.000 1.418 432 Q HN 0.896 nan 8.270 nan 0.000 0.395 433 G N -0.135 108.619 108.800 -0.077 0.000 2.588 433 G HA2 0.403 4.363 3.960 -0.000 0.000 0.281 433 G HA3 0.403 4.363 3.960 -0.000 0.000 0.281 433 G C -0.405 174.441 174.900 -0.089 0.000 1.236 433 G CA -0.073 44.962 45.100 -0.108 0.000 0.969 433 G HN 0.255 nan 8.290 nan 0.000 0.504 434 T N -0.567 113.935 114.554 -0.087 0.000 2.855 434 T HA 0.680 5.030 4.350 -0.000 0.000 0.281 434 T C 0.495 175.155 174.700 -0.067 0.000 1.007 434 T CA 0.781 62.840 62.100 -0.068 0.000 1.009 434 T CB 1.175 70.007 68.868 -0.060 0.000 0.983 434 T HN 1.899 nan 8.240 nan 0.000 0.455 435 G N 1.898 110.663 108.800 -0.057 0.000 2.698 435 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.225 435 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.225 435 G C -0.583 174.281 174.900 -0.060 0.000 1.345 435 G CA -1.008 44.060 45.100 -0.052 0.000 0.871 435 G HN 0.868 nan 8.290 nan 0.000 0.540 436 I N 1.592 122.132 120.570 -0.050 0.000 2.494 436 I HA 0.098 4.268 4.170 -0.000 0.000 0.289 436 I C 0.695 176.775 176.117 -0.062 0.000 1.106 436 I CA -0.313 60.957 61.300 -0.051 0.000 1.369 436 I CB 0.544 38.525 38.000 -0.032 0.000 1.410 436 I HN 0.515 nan 8.210 nan 0.000 0.523 437 N N 6.030 124.671 118.700 -0.098 0.000 2.458 437 N HA 0.061 4.801 4.740 -0.000 0.000 0.270 437 N C 0.462 175.944 175.510 -0.047 0.000 1.102 437 N CA 0.193 53.179 53.050 -0.106 0.000 0.967 437 N CB 1.006 39.344 38.487 -0.249 0.000 1.078 437 N HN 0.505 nan 8.380 nan 0.000 0.471 438 E N 1.499 121.698 120.200 -0.002 0.000 2.452 438 E HA 0.144 4.494 4.350 -0.000 0.000 0.197 438 E C 0.767 177.414 176.600 0.079 0.000 1.022 438 E CA -0.328 56.090 56.400 0.031 0.000 0.890 438 E CB 0.196 29.908 29.700 0.020 0.000 0.918 438 E HN 0.768 nan 8.360 nan 0.000 0.496 439 G N 0.722 109.589 108.800 0.112 0.000 2.825 439 G HA2 0.177 4.137 3.960 -0.000 0.000 0.241 439 G HA3 0.177 4.137 3.960 -0.000 0.000 0.241 439 G C 0.268 175.357 174.900 0.315 0.000 1.239 439 G CA 0.148 45.372 45.100 0.207 0.000 0.859 439 G HN 0.196 nan 8.290 nan 0.000 0.598 440 G N -1.566 107.403 108.800 0.282 0.000 2.644 440 G HA2 0.623 4.583 3.960 -0.000 0.000 0.307 440 G HA3 0.623 4.583 3.960 -0.000 0.000 0.307 440 G C -1.547 173.345 174.900 -0.014 0.000 1.250 440 G CA -0.692 44.516 45.100 0.179 0.000 0.996 440 G HN 0.935 nan 8.290 nan 0.000 0.489 441 L N -0.547 120.483 121.223 -0.323 0.000 2.410 441 L HA 0.674 5.014 4.340 -0.000 0.000 0.270 441 L C -0.715 175.929 176.870 -0.378 0.000 0.983 441 L CA -0.668 53.805 54.840 -0.613 0.000 0.822 441 L CB 1.964 43.216 42.059 -1.345 0.000 1.285 441 L HN 0.420 nan 8.230 nan 0.000 0.409 442 K N 4.439 124.626 120.400 -0.355 0.000 2.450 442 K HA 0.608 4.928 4.320 -0.000 0.000 0.257 442 K C -1.564 174.869 176.600 -0.278 0.000 0.953 442 K CA -0.634 55.439 56.287 -0.356 0.000 0.844 442 K CB 2.452 34.581 32.500 -0.619 0.000 1.103 442 K HN 0.467 nan 8.250 nan 0.000 0.429 443 V N 1.544 121.338 119.914 -0.201 0.000 2.769 443 V HA 0.734 4.854 4.120 -0.000 0.000 0.312 443 V C 0.337 176.390 176.094 -0.070 0.000 1.058 443 V CA 0.073 62.294 62.300 -0.131 0.000 0.952 443 V CB 1.718 33.464 31.823 -0.129 0.000 1.019 443 V HN 0.942 nan 8.190 nan 0.000 0.445 444 G N 3.219 111.997 108.800 -0.037 0.000 3.102 444 G HA2 0.305 4.265 3.960 -0.000 0.000 0.204 444 G HA3 0.305 4.265 3.960 -0.000 0.000 0.204 444 G C -0.336 174.562 174.900 -0.002 0.000 1.155 444 G CA 0.345 45.442 45.100 -0.005 0.000 0.931 444 G HN 0.651 nan 8.290 nan 0.000 0.691 445 D N -1.368 119.025 120.400 -0.011 0.000 2.609 445 D HA 0.496 5.136 4.640 -0.000 0.000 0.239 445 D C 0.795 177.090 176.300 -0.009 0.000 1.229 445 D CA 0.939 54.935 54.000 -0.006 0.000 0.808 445 D CB 1.486 42.283 40.800 -0.006 0.000 1.448 445 D HN 0.773 nan 8.370 nan 0.000 0.433 446 G N 1.707 110.505 108.800 -0.004 0.000 2.575 446 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.267 446 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.267 446 G C -0.453 174.444 174.900 -0.005 0.000 1.264 446 G CA 0.363 45.461 45.100 -0.004 0.000 0.935 446 G HN 0.669 nan 8.290 nan 0.000 0.568 447 K N -1.011 119.385 120.400 -0.007 0.000 2.207 447 K HA 0.649 4.969 4.320 -0.000 0.000 0.255 447 K C -0.741 175.852 176.600 -0.011 0.000 0.941 447 K CA -0.728 55.557 56.287 -0.004 0.000 0.825 447 K CB 1.977 34.478 32.500 0.002 0.000 1.119 447 K HN 0.488 nan 8.250 nan 0.000 0.430 448 V N 4.317 124.226 119.914 -0.007 0.000 2.378 448 V HA 0.255 4.375 4.120 -0.000 0.000 0.288 448 V C -0.649 175.462 176.094 0.028 0.000 1.016 448 V CA -0.970 61.332 62.300 0.002 0.000 0.840 448 V CB 1.607 33.420 31.823 -0.016 0.000 0.994 448 V HN 0.493 nan 8.190 nan 0.000 0.431 449 V N 6.751 126.687 119.914 0.037 0.000 2.368 449 V HA 0.311 4.431 4.120 -0.000 0.000 0.266 449 V C 0.216 176.353 176.094 0.072 0.000 1.045 449 V CA -0.355 61.973 62.300 0.046 0.000 0.899 449 V CB 1.082 32.923 31.823 0.031 0.000 1.006 449 V HN 0.621 nan 8.190 nan 0.000 0.470 450 L N 5.282 126.554 121.223 0.082 0.000 2.342 450 L HA 0.378 4.718 4.340 -0.000 0.000 0.285 450 L C 0.839 177.742 176.870 0.055 0.000 1.095 450 L CA 0.338 55.238 54.840 0.100 0.000 0.843 450 L CB -0.052 42.079 42.059 0.121 0.000 1.201 450 L HN 0.715 nan 8.230 nan 0.000 0.445 451 N N 2.778 121.502 118.700 0.039 0.000 2.610 451 N HA 0.044 4.784 4.740 -0.000 0.000 0.307 451 N C -0.258 175.250 175.510 -0.003 0.000 1.813 451 N CA -0.457 52.603 53.050 0.016 0.000 0.901 451 N CB 0.680 39.175 38.487 0.013 0.000 1.354 451 N HN 0.561 nan 8.380 nan 0.000 0.491 452 Q N 1.053 120.844 119.800 -0.016 0.000 2.352 452 Q HA 0.127 4.467 4.340 -0.000 0.000 0.260 452 Q C -0.511 175.466 176.000 -0.038 0.000 0.976 452 Q CA 0.323 56.099 55.803 -0.045 0.000 0.881 452 Q CB 0.726 29.419 28.738 -0.076 0.000 1.235 452 Q HN 0.270 nan 8.270 nan 0.000 0.419 453 Q N 1.224 120.998 119.800 -0.044 0.000 2.212 453 Q HA 0.631 4.971 4.340 -0.000 0.000 0.238 453 Q C -0.938 175.039 176.000 -0.038 0.000 0.955 453 Q CA -0.432 55.349 55.803 -0.037 0.000 0.906 453 Q CB 1.501 30.216 28.738 -0.038 0.000 1.215 453 Q HN 0.772 nan 8.270 nan 0.000 0.478 454 A N 1.607 124.409 122.820 -0.031 0.000 2.316 454 A HA 0.402 4.722 4.320 -0.000 0.000 0.284 454 A C -0.078 177.487 177.584 -0.030 0.000 1.115 454 A CA -0.532 51.488 52.037 -0.030 0.000 0.812 454 A CB 0.174 19.160 19.000 -0.024 0.000 1.064 454 A HN 0.737 nan 8.150 nan 0.000 0.489 455 D N 0.531 120.913 120.400 -0.030 0.000 2.469 455 D HA 0.057 4.697 4.640 -0.000 0.000 0.278 455 D C 0.630 176.916 176.300 -0.023 0.000 1.231 455 D CA -0.139 53.843 54.000 -0.029 0.000 1.075 455 D CB 0.002 40.784 40.800 -0.029 0.000 1.121 455 D HN 0.429 nan 8.370 nan 0.000 0.571 456 N N -1.249 117.439 118.700 -0.021 0.000 2.521 456 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 456 N C 0.575 176.075 175.510 -0.016 0.000 1.146 456 N CA 0.428 53.468 53.050 -0.017 0.000 0.893 456 N CB -0.158 38.319 38.487 -0.016 0.000 0.975 456 N HN 0.396 nan 8.380 nan 0.000 0.451 457 K N -0.464 119.926 120.400 -0.017 0.000 2.399 457 K HA 0.244 4.564 4.320 -0.000 0.000 0.204 457 K C 0.778 177.368 176.600 -0.016 0.000 1.023 457 K CA 0.269 56.547 56.287 -0.015 0.000 1.127 457 K CB -0.099 32.392 32.500 -0.016 0.000 0.856 457 K HN 0.200 nan 8.250 nan 0.000 0.514 458 G N 1.427 110.217 108.800 -0.017 0.000 2.216 458 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.269 458 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.269 458 G C -0.207 174.681 174.900 -0.019 0.000 0.981 458 G CA 0.813 45.902 45.100 -0.018 0.000 0.658 458 G HN 0.475 nan 8.290 nan 0.000 0.539 459 Q N -0.579 119.208 119.800 -0.021 0.000 2.340 459 Q HA 0.645 4.985 4.340 -0.000 0.000 0.249 459 Q C -0.086 175.897 176.000 -0.028 0.000 0.957 459 Q CA -0.042 55.748 55.803 -0.023 0.000 0.882 459 Q CB 2.626 31.351 28.738 -0.022 0.000 1.235 459 Q HN 0.661 nan 8.270 nan 0.000 0.439 460 V N 1.716 121.613 119.914 -0.029 0.000 2.808 460 V HA 0.526 4.646 4.120 -0.000 0.000 0.308 460 V C -1.857 174.213 176.094 -0.039 0.000 1.099 460 V CA -0.319 61.959 62.300 -0.037 0.000 0.920 460 V CB 1.996 33.799 31.823 -0.033 0.000 1.014 460 V HN 0.928 nan 8.190 nan 0.000 0.425 461 Q N 5.399 125.165 119.800 -0.056 0.000 2.380 461 Q HA 0.592 4.932 4.340 -0.000 0.000 0.245 461 Q C 0.102 176.025 176.000 -0.128 0.000 0.893 461 Q CA 0.080 55.847 55.803 -0.060 0.000 0.922 461 Q CB 1.916 30.631 28.738 -0.038 0.000 1.432 461 Q HN 1.213 nan 8.270 nan 0.000 0.434 462 A N 3.857 126.597 122.820 -0.133 0.000 1.902 462 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 462 A C -0.153 176.963 177.584 -0.781 0.000 1.181 462 A CA 1.386 53.236 52.037 -0.312 0.000 0.623 462 A CB 0.020 18.977 19.000 -0.071 0.000 0.818 462 A HN 0.600 nan 8.150 nan 0.000 0.443 463 F N -3.655 116.307 119.950 0.021 0.000 2.744 463 F HA 0.275 4.802 4.527 -0.000 0.000 0.311 463 F C 1.034 176.839 175.800 0.008 0.000 1.144 463 F CA -0.287 57.726 58.000 0.022 0.000 0.938 463 F CB 1.208 40.218 39.000 0.016 0.000 1.292 463 F HN -0.065 nan 8.300 nan 0.000 0.444 464 S N -0.843 114.995 115.700 0.230 0.000 2.528 464 S HA 0.317 4.787 4.470 -0.000 0.000 0.219 464 S C 0.226 174.882 174.600 0.095 0.000 0.985 464 S CA 0.567 58.839 58.200 0.119 0.000 0.914 464 S CB -0.223 63.032 63.200 0.091 0.000 0.776 464 S HN 0.882 nan 8.310 nan 0.000 0.526 465 S N -0.687 115.079 115.700 0.110 0.000 2.578 465 S HA 0.656 5.125 4.470 -0.000 0.000 0.272 465 S C -1.490 173.093 174.600 -0.029 0.000 1.145 465 S CA -0.843 57.377 58.200 0.034 0.000 0.835 465 S CB 1.522 64.733 63.200 0.018 0.000 1.104 465 S HN 0.179 nan 8.310 nan 0.000 0.458 466 V N 2.543 122.404 119.914 -0.089 0.000 2.577 466 V HA 0.600 4.720 4.120 -0.000 0.000 0.303 466 V C -0.783 175.188 176.094 -0.204 0.000 1.042 466 V CA -0.613 61.574 62.300 -0.188 0.000 0.872 466 V CB 1.718 33.435 31.823 -0.177 0.000 0.998 466 V HN 0.969 nan 8.190 nan 0.000 0.423 467 N N 5.225 123.800 118.700 -0.208 0.000 2.342 467 N HA 0.569 5.309 4.740 -0.000 0.000 0.293 467 N C -1.446 173.959 175.510 -0.175 0.000 1.026 467 N CA -0.426 52.521 53.050 -0.171 0.000 0.857 467 N CB 1.908 40.335 38.487 -0.100 0.000 1.256 467 N HN 0.623 nan 8.380 nan 0.000 0.484 468 I N 2.432 122.894 120.570 -0.180 0.000 2.382 468 I HA 0.544 4.714 4.170 -0.000 0.000 0.286 468 I C -0.185 175.952 176.117 0.034 0.000 1.002 468 I CA -0.504 60.724 61.300 -0.119 0.000 1.135 468 I CB 1.598 39.446 38.000 -0.253 0.000 1.288 468 I HN 0.544 nan 8.210 nan 0.000 0.448 469 A N 3.964 126.817 122.820 0.056 0.000 2.587 469 A HA 0.720 5.040 4.320 -0.000 0.000 0.293 469 A C 0.361 178.003 177.584 0.098 0.000 1.087 469 A CA 0.237 52.342 52.037 0.113 0.000 0.692 469 A CB 1.692 20.778 19.000 0.143 0.000 1.291 469 A HN 1.204 nan 8.150 nan 0.000 0.407 470 S N -0.516 115.256 115.700 0.118 0.000 2.154 470 S HA -0.001 4.469 4.470 -0.000 0.000 0.247 470 S C 2.121 176.729 174.600 0.014 0.000 1.170 470 S CA 1.936 60.190 58.200 0.089 0.000 1.419 470 S CB -1.860 61.390 63.200 0.084 0.000 1.768 470 S HN 3.154 nan 8.310 nan 0.000 0.587 471 G N 1.284 110.092 108.800 0.013 0.000 2.195 471 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.246 471 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.246 471 G C 0.656 175.557 174.900 0.002 0.000 0.984 471 G CA 0.784 45.877 45.100 -0.011 0.000 0.633 471 G HN 0.874 nan 8.290 nan 0.000 0.525 472 R N 0.371 120.878 120.500 0.013 0.000 2.156 472 R HA 0.173 4.513 4.340 -0.000 0.000 0.207 472 R C -1.703 174.605 176.300 0.014 0.000 1.040 472 R CA 0.704 56.809 56.100 0.009 0.000 1.013 472 R CB -0.143 30.161 30.300 0.007 0.000 0.931 472 R HN 0.461 nan 8.270 nan 0.000 0.465 473 P HA 0.254 nan 4.420 nan 0.000 0.285 473 P C -0.938 176.380 177.300 0.030 0.000 1.280 473 P CA -0.157 62.952 63.100 0.015 0.000 0.862 473 P CB 1.971 33.671 31.700 0.000 0.000 1.153 474 T N 0.168 114.735 114.554 0.022 0.000 2.861 474 T HA 0.396 4.746 4.350 -0.000 0.000 0.287 474 T C -0.515 174.196 174.700 0.019 0.000 1.003 474 T CA -0.419 61.702 62.100 0.035 0.000 0.977 474 T CB 1.173 70.063 68.868 0.036 0.000 0.996 474 T HN 0.082 nan 8.240 nan 0.000 0.448 475 V N 3.615 123.544 119.914 0.025 0.000 2.384 475 V HA 0.449 4.569 4.120 -0.000 0.000 0.287 475 V C -0.257 175.862 176.094 0.041 0.000 1.020 475 V CA -0.698 61.609 62.300 0.012 0.000 0.850 475 V CB 1.679 33.484 31.823 -0.029 0.000 0.987 475 V HN 0.717 nan 8.190 nan 0.000 0.436 476 V N 6.679 126.618 119.914 0.042 0.000 2.370 476 V HA 0.420 4.540 4.120 -0.000 0.000 0.283 476 V C -0.033 176.092 176.094 0.053 0.000 1.023 476 V CA -0.539 61.790 62.300 0.049 0.000 0.857 476 V CB 1.604 33.451 31.823 0.040 0.000 0.985 476 V HN 0.641 nan 8.190 nan 0.000 0.443 477 L N 5.062 126.320 121.223 0.058 0.000 2.261 477 L HA 0.262 4.602 4.340 -0.000 0.000 0.289 477 L C 1.810 178.704 176.870 0.041 0.000 1.059 477 L CA -0.211 54.660 54.840 0.053 0.000 0.816 477 L CB 1.050 43.144 42.059 0.058 0.000 1.191 477 L HN 0.885 nan 8.230 nan 0.000 0.431 478 T N -1.135 113.439 114.554 0.034 0.000 2.788 478 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 478 T C 0.422 175.134 174.700 0.020 0.000 1.044 478 T CA 1.389 63.504 62.100 0.024 0.000 1.139 478 T CB -0.190 68.689 68.868 0.018 0.000 0.867 478 T HN 0.771 nan 8.240 nan 0.000 0.454 479 D N -0.059 120.352 120.400 0.019 0.000 2.895 479 D HA 0.357 4.997 4.640 -0.000 0.000 0.320 479 D C -0.212 176.095 176.300 0.011 0.000 1.249 479 D CA -0.765 53.242 54.000 0.013 0.000 0.997 479 D CB 0.464 41.267 40.800 0.005 0.000 1.430 479 D HN 0.143 nan 8.370 nan 0.000 0.558 480 E N -1.149 119.052 120.200 0.002 0.000 2.463 480 E HA 0.266 4.616 4.350 -0.000 0.000 0.193 480 E C 1.091 177.681 176.600 -0.015 0.000 1.041 480 E CA -0.017 56.379 56.400 -0.007 0.000 0.879 480 E CB 0.016 29.708 29.700 -0.012 0.000 0.997 480 E HN 0.299 nan 8.360 nan 0.000 0.478 481 R N 0.433 120.927 120.500 -0.010 0.000 2.362 481 R HA 0.166 4.506 4.340 -0.000 0.000 0.227 481 R C 1.122 177.415 176.300 -0.011 0.000 0.905 481 R CA 0.059 56.151 56.100 -0.014 0.000 1.067 481 R CB 0.317 30.608 30.300 -0.015 0.000 1.078 481 R HN 0.143 nan 8.270 nan 0.000 0.516 482 Q N -0.077 119.722 119.800 -0.001 0.000 2.123 482 Q HA 0.033 4.373 4.340 -0.000 0.000 0.199 482 Q C 0.530 176.543 176.000 0.022 0.000 0.966 482 Q CA 0.951 56.761 55.803 0.012 0.000 0.845 482 Q CB 0.423 29.182 28.738 0.035 0.000 0.907 482 Q HN 0.024 nan 8.270 nan 0.000 0.439 483 V N 1.383 121.304 119.914 0.012 0.000 3.048 483 V HA 0.144 4.264 4.120 -0.000 0.000 0.303 483 V C -0.864 175.216 176.094 -0.024 0.000 1.214 483 V CA -1.256 61.055 62.300 0.018 0.000 0.984 483 V CB 2.386 34.237 31.823 0.046 0.000 1.054 483 V HN 0.165 nan 8.190 nan 0.000 0.430 484 N N 5.129 123.816 118.700 -0.022 0.000 2.416 484 N HA 0.195 4.935 4.740 -0.000 0.000 0.265 484 N C -1.694 173.758 175.510 -0.098 0.000 1.195 484 N CA -1.407 51.611 53.050 -0.053 0.000 0.943 484 N CB 1.562 40.035 38.487 -0.025 0.000 1.115 484 N HN 0.249 nan 8.380 nan 0.000 0.481 485 P HA -0.144 nan 4.420 nan 0.000 0.218 485 P C 0.308 177.454 177.300 -0.257 0.000 1.152 485 P CA 1.337 64.149 63.100 -0.480 0.000 0.857 485 P CB 0.255 31.305 31.700 -1.082 0.000 0.787 486 D N -2.180 118.159 120.400 -0.103 0.000 2.350 486 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 486 D C 1.524 177.881 176.300 0.096 0.000 0.968 486 D CA 1.245 55.300 54.000 0.092 0.000 0.894 486 D CB -0.632 40.230 40.800 0.103 0.000 0.909 486 D HN 0.280 nan 8.370 nan 0.000 0.520 487 T N -2.762 111.814 114.554 0.037 0.000 3.107 487 T HA 0.160 4.510 4.350 -0.000 0.000 0.249 487 T C 0.616 175.322 174.700 0.010 0.000 1.096 487 T CA -0.325 61.797 62.100 0.037 0.000 1.012 487 T CB -0.003 68.882 68.868 0.027 0.000 0.977 487 T HN -0.229 nan 8.240 nan 0.000 0.527 488 V N 3.434 123.349 119.914 0.001 0.000 2.461 488 V HA 0.564 4.684 4.120 -0.000 0.000 0.275 488 V C 0.308 176.307 176.094 -0.159 0.000 1.047 488 V CA -0.474 61.747 62.300 -0.131 0.000 0.955 488 V CB 0.911 32.632 31.823 -0.170 0.000 0.988 488 V HN 0.743 nan 8.190 nan 0.000 0.471 489 S N 4.623 120.192 115.700 -0.219 0.000 2.599 489 S HA 0.682 5.152 4.470 -0.000 0.000 0.294 489 S C -1.258 173.252 174.600 -0.150 0.000 1.094 489 S CA -0.893 57.288 58.200 -0.032 0.000 0.931 489 S CB 1.904 65.162 63.200 0.096 0.000 1.093 489 S HN 0.615 nan 8.310 nan 0.000 0.488 490 W N 1.172 122.549 121.300 0.129 0.000 2.471 490 W HA 0.532 5.192 4.660 -0.000 0.000 0.318 490 W C 0.616 177.197 176.519 0.103 0.000 1.034 490 W CA -0.925 56.480 57.345 0.100 0.000 1.224 490 W CB 2.039 31.559 29.460 0.100 0.000 1.335 490 W HN 1.090 nan 8.180 nan 0.000 0.452 491 G N 1.368 110.328 108.800 0.266 0.000 2.531 491 G HA2 0.051 4.011 3.960 -0.000 0.000 0.253 491 G HA3 0.051 4.011 3.960 -0.000 0.000 0.253 491 G C -1.131 173.922 174.900 0.255 0.000 1.439 491 G CA -0.596 44.650 45.100 0.244 0.000 1.056 491 G HN 0.435 nan 8.290 nan 0.000 0.555 492 Y N 1.115 121.493 120.300 0.129 0.000 2.867 492 Y HA -0.105 4.445 4.550 -0.000 0.000 0.367 492 Y C 1.718 177.672 175.900 0.090 0.000 1.310 492 Y CA 1.392 59.555 58.100 0.104 0.000 1.655 492 Y CB -0.131 38.396 38.460 0.112 0.000 1.181 492 Y HN 0.689 nan 8.280 nan 0.000 0.533 493 R N 2.326 122.622 120.500 -0.340 0.000 3.977 493 R HA -0.282 4.058 4.340 -0.000 0.000 0.428 493 R C 1.184 177.438 176.300 -0.077 0.000 1.079 493 R CA 0.721 56.642 56.100 -0.300 0.000 1.269 493 R CB -2.035 28.002 30.300 -0.438 0.000 1.856 493 R HN 1.330 nan 8.270 nan 0.000 0.551 494 G N -0.691 108.144 108.800 0.058 0.000 2.574 494 G HA2 0.032 3.992 3.960 -0.000 0.000 0.286 494 G HA3 0.032 3.992 3.960 -0.000 0.000 0.286 494 G C 0.430 175.441 174.900 0.185 0.000 1.212 494 G CA 0.353 45.574 45.100 0.201 0.000 0.979 494 G HN 1.355 nan 8.290 nan 0.000 0.557 495 G N -3.825 105.105 108.800 0.217 0.000 2.369 495 G HA2 0.559 4.519 3.960 -0.000 0.000 0.295 495 G HA3 0.559 4.519 3.960 -0.000 0.000 0.295 495 G C -0.708 174.367 174.900 0.292 0.000 1.298 495 G CA 0.542 45.753 45.100 0.184 0.000 0.940 495 G HN 1.684 nan 8.290 nan 0.000 0.536 496 T N 0.413 115.093 114.554 0.210 0.000 2.823 496 T HA 0.562 4.912 4.350 -0.000 0.000 0.279 496 T C -0.567 174.290 174.700 0.262 0.000 0.998 496 T CA -0.301 61.943 62.100 0.239 0.000 0.994 496 T CB 1.566 70.504 68.868 0.116 0.000 0.960 496 T HN 0.863 nan 8.240 nan 0.000 0.448 497 L N 3.958 125.407 121.223 0.377 0.000 2.262 497 L HA 0.476 4.816 4.340 -0.000 0.000 0.288 497 L C -0.486 176.502 176.870 0.197 0.000 1.035 497 L CA -0.606 54.383 54.840 0.249 0.000 0.820 497 L CB 0.679 42.933 42.059 0.326 0.000 1.204 497 L HN 0.494 nan 8.230 nan 0.000 0.424 498 D N 3.452 123.930 120.400 0.130 0.000 2.411 498 D HA 0.090 4.730 4.640 -0.000 0.000 0.225 498 D C 1.193 177.555 176.300 0.104 0.000 1.156 498 D CA -0.198 53.866 54.000 0.106 0.000 0.874 498 D CB 1.183 42.028 40.800 0.075 0.000 1.034 498 D HN 0.414 nan 8.370 nan 0.000 0.502 499 V N 2.210 122.195 119.914 0.119 0.000 3.078 499 V HA -0.093 4.027 4.120 -0.000 0.000 0.265 499 V C 0.958 177.099 176.094 0.078 0.000 1.122 499 V CA 0.851 63.219 62.300 0.114 0.000 1.141 499 V CB -1.567 30.340 31.823 0.140 0.000 0.735 499 V HN 0.789 nan 8.190 nan 0.000 0.498 500 N N 0.903 119.642 118.700 0.066 0.000 2.705 500 N HA -0.148 4.592 4.740 -0.000 0.000 0.255 500 N C 0.991 176.525 175.510 0.041 0.000 1.008 500 N CA 1.499 54.578 53.050 0.048 0.000 0.742 500 N CB -1.394 37.119 38.487 0.044 0.000 0.906 500 N HN 1.612 nan 8.380 nan 0.000 0.541 501 G N -1.161 107.665 108.800 0.043 0.000 2.212 501 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.266 501 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.266 501 G C -0.048 174.873 174.900 0.035 0.000 0.978 501 G CA 0.361 45.482 45.100 0.035 0.000 0.632 501 G HN 0.653 nan 8.290 nan 0.000 0.537 502 N N 0.912 119.638 118.700 0.042 0.000 2.479 502 N HA 0.480 5.220 4.740 -0.000 0.000 0.285 502 N C -0.304 175.234 175.510 0.047 0.000 1.075 502 N CA 0.013 53.085 53.050 0.037 0.000 0.967 502 N CB 1.475 39.983 38.487 0.035 0.000 1.137 502 N HN 0.181 nan 8.380 nan 0.000 0.472 503 S N 1.752 117.471 115.700 0.033 0.000 2.554 503 S HA 0.617 5.087 4.470 -0.000 0.000 0.278 503 S C 0.155 174.772 174.600 0.028 0.000 1.242 503 S CA -0.550 57.671 58.200 0.034 0.000 1.051 503 S CB 0.748 63.958 63.200 0.015 0.000 0.986 503 S HN 0.320 nan 8.310 nan 0.000 0.502 504 L N 1.218 122.469 121.223 0.047 0.000 2.491 504 L HA 0.594 4.934 4.340 -0.000 0.000 0.254 504 L C -0.695 176.181 176.870 0.009 0.000 1.048 504 L CA -0.854 53.990 54.840 0.007 0.000 0.855 504 L CB 2.513 44.576 42.059 0.007 0.000 1.466 504 L HN 0.459 nan 8.230 nan 0.000 0.409 505 T N 0.590 115.077 114.554 -0.113 0.000 2.848 505 T HA 0.678 5.028 4.350 -0.000 0.000 0.285 505 T C -1.215 173.311 174.700 -0.290 0.000 0.995 505 T CA -0.306 61.713 62.100 -0.134 0.000 0.970 505 T CB 1.111 69.876 68.868 -0.171 0.000 0.976 505 T HN 0.144 nan 8.240 nan 0.000 0.441 506 F N 1.191 121.021 119.950 -0.200 0.000 2.520 506 F HA 0.402 4.929 4.527 -0.000 0.000 0.322 506 F C 0.873 176.511 175.800 -0.270 0.000 1.103 506 F CA -0.762 57.162 58.000 -0.126 0.000 0.926 506 F CB 1.744 40.719 39.000 -0.041 0.000 1.154 506 F HN 0.713 nan 8.300 nan 0.000 0.453 507 H N -0.084 119.061 119.070 0.125 0.000 2.622 507 H HA 0.177 4.733 4.556 -0.000 0.000 0.269 507 H C -0.401 174.953 175.328 0.044 0.000 0.977 507 H CA 0.118 56.200 56.048 0.057 0.000 1.179 507 H CB 0.449 30.228 29.762 0.028 0.000 1.458 507 H HN 0.538 nan 8.280 nan 0.000 0.531 508 Q N -0.024 119.925 119.800 0.247 0.000 2.472 508 Q HA 0.362 4.702 4.340 -0.000 0.000 0.281 508 Q C -1.744 174.505 176.000 0.415 0.000 0.997 508 Q CA -0.887 55.063 55.803 0.245 0.000 0.828 508 Q CB 1.652 30.593 28.738 0.338 0.000 1.443 508 Q HN 0.101 nan 8.270 nan 0.000 0.390 509 L N 2.012 123.543 121.223 0.514 0.000 2.445 509 L HA 0.377 4.717 4.340 -0.000 0.000 0.252 509 L C -0.407 176.804 176.870 0.567 0.000 1.105 509 L CA -0.865 54.226 54.840 0.418 0.000 0.943 509 L CB 1.124 43.115 42.059 -0.113 0.000 1.277 509 L HN 0.464 nan 8.230 nan 0.000 0.465 510 K N 2.932 123.688 120.400 0.595 0.000 1.985 510 K HA 0.287 4.607 4.320 -0.000 0.000 0.234 510 K C -0.075 176.888 176.600 0.604 0.000 1.140 510 K CA 0.045 56.639 56.287 0.512 0.000 1.141 510 K CB 0.194 32.921 32.500 0.379 0.000 1.165 510 K HN 0.506 nan 8.250 nan 0.000 0.301 511 A N 1.137 124.259 122.820 0.503 0.000 2.353 511 A HA 0.594 4.914 4.320 -0.000 0.000 0.299 511 A C 0.897 178.657 177.584 0.293 0.000 1.089 511 A CA -0.311 51.985 52.037 0.431 0.000 0.736 511 A CB 1.399 20.544 19.000 0.241 0.000 1.195 511 A HN 0.468 nan 8.150 nan 0.000 0.447 512 A N 2.219 125.198 122.820 0.265 0.000 1.930 512 A HA 0.304 4.624 4.320 -0.000 0.000 0.217 512 A C 0.793 178.426 177.584 0.082 0.000 1.175 512 A CA 2.219 54.376 52.037 0.201 0.000 0.627 512 A CB -0.375 18.747 19.000 0.203 0.000 0.815 512 A HN 1.065 nan 8.150 nan 0.000 0.443 513 D N -6.342 114.050 120.400 -0.014 0.000 2.851 513 D HA 0.156 4.796 4.640 -0.000 0.000 0.339 513 D C 0.241 176.426 176.300 -0.193 0.000 1.347 513 D CA -0.510 53.388 54.000 -0.169 0.000 0.888 513 D CB -0.363 40.343 40.800 -0.156 0.000 1.431 513 D HN -0.113 nan 8.370 nan 0.000 0.509 514 Y N 0.354 120.433 120.300 -0.367 0.000 2.403 514 Y HA 0.123 4.673 4.550 -0.000 0.000 0.291 514 Y C 2.094 177.820 175.900 -0.291 0.000 1.143 514 Y CA 2.216 60.098 58.100 -0.363 0.000 1.257 514 Y CB -0.350 37.898 38.460 -0.354 0.000 0.984 514 Y HN 0.562 nan 8.280 nan 0.000 0.550 515 G N -0.284 108.380 108.800 -0.226 0.000 2.679 515 G HA2 0.043 4.003 3.960 -0.000 0.000 0.212 515 G HA3 0.043 4.003 3.960 -0.000 0.000 0.212 515 G C 0.578 175.336 174.900 -0.237 0.000 1.137 515 G CA 0.247 45.201 45.100 -0.243 0.000 0.787 515 G HN 0.530 nan 8.290 nan 0.000 0.534 516 A N 0.602 123.224 122.820 -0.330 0.000 2.444 516 A HA 0.527 4.847 4.320 -0.000 0.000 0.287 516 A C -0.390 176.797 177.584 -0.662 0.000 1.195 516 A CA -0.042 51.623 52.037 -0.620 0.000 0.858 516 A CB 0.312 18.852 19.000 -0.766 0.000 1.117 516 A HN 0.160 nan 8.150 nan 0.000 0.521 517 V N 4.586 124.255 119.914 -0.408 0.000 2.409 517 V HA 0.341 4.461 4.120 -0.000 0.000 0.291 517 V C -0.284 175.806 176.094 -0.007 0.000 1.020 517 V CA -0.547 61.636 62.300 -0.195 0.000 0.848 517 V CB 1.366 33.136 31.823 -0.089 0.000 0.990 517 V HN 0.803 nan 8.190 nan 0.000 0.430 518 L N 5.460 126.671 121.223 -0.020 0.000 2.275 518 L HA 0.902 5.242 4.340 -0.000 0.000 0.288 518 L C 0.085 177.005 176.870 0.082 0.000 1.046 518 L CA 0.404 55.302 54.840 0.096 0.000 0.805 518 L CB 0.921 42.950 42.059 -0.050 0.000 1.193 518 L HN 0.812 nan 8.230 nan 0.000 0.426 519 A N 4.043 126.931 122.820 0.115 0.000 2.569 519 A HA 0.768 5.088 4.320 -0.000 0.000 0.290 519 A C -1.496 176.140 177.584 0.088 0.000 1.136 519 A CA -0.732 51.356 52.037 0.085 0.000 0.710 519 A CB 1.524 20.565 19.000 0.067 0.000 1.303 519 A HN 0.619 nan 8.150 nan 0.000 0.413 520 N N 0.397 119.138 118.700 0.069 0.000 2.519 520 N HA 0.325 5.065 4.740 -0.000 0.000 0.286 520 N C -1.105 174.434 175.510 0.048 0.000 1.079 520 N CA -0.453 52.635 53.050 0.063 0.000 0.878 520 N CB 1.060 39.585 38.487 0.063 0.000 1.375 520 N HN 0.466 nan 8.380 nan 0.000 0.514 521 N N 1.553 120.279 118.700 0.044 0.000 2.214 521 N HA 0.111 4.851 4.740 -0.000 0.000 0.214 521 N C -0.181 175.346 175.510 0.028 0.000 1.132 521 N CA 0.175 53.245 53.050 0.033 0.000 0.856 521 N CB 0.782 39.287 38.487 0.030 0.000 1.020 521 N HN 0.464 nan 8.380 nan 0.000 0.509 522 V N -2.081 117.851 119.914 0.030 0.000 3.019 522 V HA 0.447 4.567 4.120 -0.000 0.000 0.317 522 V C 0.490 176.598 176.094 0.024 0.000 1.094 522 V CA -0.920 61.394 62.300 0.024 0.000 1.000 522 V CB 1.668 33.505 31.823 0.024 0.000 1.060 522 V HN -0.085 nan 8.190 nan 0.000 0.443 523 D N -0.299 120.113 120.400 0.019 0.000 2.363 523 D HA -0.002 4.638 4.640 -0.000 0.000 0.226 523 D C 0.693 177.004 176.300 0.019 0.000 1.020 523 D CA 0.285 54.296 54.000 0.019 0.000 0.892 523 D CB -0.117 40.692 40.800 0.015 0.000 0.900 523 D HN 0.664 nan 8.370 nan 0.000 0.531 524 K N 1.555 121.967 120.400 0.020 0.000 2.315 524 K HA 0.066 4.386 4.320 -0.000 0.000 0.291 524 K C 0.168 176.782 176.600 0.024 0.000 1.074 524 K CA -0.622 55.676 56.287 0.019 0.000 0.936 524 K CB 0.514 33.025 32.500 0.018 0.000 1.049 524 K HN 0.026 nan 8.250 nan 0.000 0.471 525 R N 2.537 123.051 120.500 0.023 0.000 2.784 525 R HA 0.236 4.576 4.340 -0.000 0.000 0.266 525 R C -1.121 175.196 176.300 0.027 0.000 1.044 525 R CA 0.207 56.324 56.100 0.028 0.000 1.151 525 R CB 0.694 31.010 30.300 0.026 0.000 1.037 525 R HN 0.656 nan 8.270 nan 0.000 0.478 526 A N 1.878 124.718 122.820 0.033 0.000 2.572 526 A HA 0.517 4.837 4.320 -0.000 0.000 0.295 526 A C -1.243 176.360 177.584 0.032 0.000 1.072 526 A CA -0.765 51.292 52.037 0.034 0.000 0.691 526 A CB 2.133 21.161 19.000 0.046 0.000 1.291 526 A HN 0.692 nan 8.150 nan 0.000 0.404 527 T N 2.129 116.697 114.554 0.023 0.000 2.888 527 T HA 0.600 4.950 4.350 -0.000 0.000 0.284 527 T C -0.443 174.270 174.700 0.022 0.000 1.017 527 T CA -0.310 61.794 62.100 0.008 0.000 1.022 527 T CB 0.899 69.760 68.868 -0.013 0.000 1.013 527 T HN 0.426 nan 8.240 nan 0.000 0.465 528 I N 3.179 123.752 120.570 0.006 0.000 2.382 528 I HA 0.289 4.459 4.170 -0.000 0.000 0.285 528 I C 0.160 176.264 176.117 -0.022 0.000 1.007 528 I CA -0.528 60.795 61.300 0.039 0.000 1.142 528 I CB 1.110 39.118 38.000 0.013 0.000 1.289 528 I HN 0.573 nan 8.210 nan 0.000 0.453 529 T N 6.921 121.475 114.554 0.001 0.000 2.749 529 T HA 0.506 4.856 4.350 -0.000 0.000 0.287 529 T C -0.136 174.536 174.700 -0.046 0.000 0.970 529 T CA -0.388 61.676 62.100 -0.060 0.000 0.980 529 T CB 1.744 70.569 68.868 -0.071 0.000 0.924 529 T HN 0.213 nan 8.240 nan 0.000 0.456 530 L N 2.482 123.654 121.223 -0.085 0.000 2.358 530 L HA 0.766 5.106 4.340 -0.000 0.000 0.268 530 L C -0.279 176.518 176.870 -0.120 0.000 1.032 530 L CA -0.217 54.584 54.840 -0.066 0.000 0.805 530 L CB 1.602 43.632 42.059 -0.049 0.000 1.253 530 L HN 0.666 nan 8.230 nan 0.000 0.452 531 D N 0.806 121.127 120.400 -0.131 0.000 3.816 531 D HA 0.055 4.695 4.640 -0.000 0.000 0.228 531 D C -0.999 175.198 176.300 -0.172 0.000 1.508 531 D CA -0.316 53.557 54.000 -0.211 0.000 1.093 531 D CB -0.452 40.222 40.800 -0.211 0.000 1.326 531 D HN 0.264 nan 8.370 nan 0.000 0.787 612 Y N -0.729 119.379 120.300 -0.320 0.000 2.521 612 Y HA 0.655 5.205 4.550 -0.000 0.000 0.328 612 Y C -1.963 173.598 175.900 -0.566 0.000 1.151 612 Y CA -0.853 56.990 58.100 -0.429 0.000 1.054 612 Y CB 1.948 39.829 38.460 -0.966 0.000 1.338 612 Y HN 0.712 nan 8.280 nan 0.000 0.453 613 L N 6.455 126.753 121.223 -1.542 0.000 2.341 613 L HA 0.684 5.024 4.340 -0.000 0.000 0.278 613 L C -2.155 174.076 176.870 -1.065 0.000 1.005 613 L CA -0.633 53.433 54.840 -1.291 0.000 0.818 613 L CB 1.206 42.350 42.059 -1.525 0.000 1.259 613 L HN 0.519 nan 8.230 nan 0.000 0.418 614 F N 4.231 123.763 119.950 -0.696 0.000 2.493 614 F HA 0.441 4.968 4.527 -0.000 0.000 0.329 614 F C 0.449 176.059 175.800 -0.318 0.000 1.126 614 F CA -0.279 57.452 58.000 -0.447 0.000 0.937 614 F CB 1.111 39.999 39.000 -0.187 0.000 1.146 614 F HN 0.624 nan 8.300 nan 0.000 0.442 615 H N 3.396 122.019 119.070 -0.744 0.000 2.592 615 H HA 0.282 4.838 4.556 -0.000 0.000 0.265 615 H C 1.139 175.955 175.328 -0.853 0.000 0.955 615 H CA 0.643 56.329 56.048 -0.604 0.000 1.175 615 H CB 0.358 29.890 29.762 -0.383 0.000 1.433 615 H HN 0.690 nan 8.280 nan 0.000 0.537 616 G N -0.097 107.646 108.800 -1.762 0.000 2.510 616 G HA2 0.374 4.334 3.960 -0.000 0.000 0.280 616 G HA3 0.374 4.334 3.960 -0.000 0.000 0.280 616 G C -0.372 173.939 174.900 -0.983 0.000 1.386 616 G CA -0.437 43.765 45.100 -1.496 0.000 1.047 616 G HN 0.184 nan 8.290 nan 0.000 0.527 617 Q N -1.289 118.202 119.800 -0.516 0.000 2.387 617 Q HA 0.577 4.917 4.340 -0.000 0.000 0.273 617 Q C -1.126 174.899 176.000 0.042 0.000 1.089 617 Q CA -0.548 55.112 55.803 -0.238 0.000 0.824 617 Q CB 2.755 31.253 28.738 -0.400 0.000 1.367 617 Q HN 0.287 nan 8.270 nan 0.000 0.443 618 L N 1.975 123.268 121.223 0.118 0.000 2.325 618 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 618 L C -0.614 176.306 176.870 0.084 0.000 1.004 618 L CA -0.691 54.236 54.840 0.144 0.000 0.823 618 L CB 1.132 43.347 42.059 0.260 0.000 1.236 618 L HN 0.299 nan 8.230 nan 0.000 0.415 619 K N 2.637 123.071 120.400 0.057 0.000 2.427 619 K HA 0.768 5.088 4.320 -0.000 0.000 0.252 619 K C 0.091 176.720 176.600 0.048 0.000 0.931 619 K CA -0.274 56.032 56.287 0.031 0.000 0.793 619 K CB 2.576 35.072 32.500 -0.007 0.000 1.211 619 K HN 0.766 nan 8.250 nan 0.000 0.426 620 G N 2.669 111.496 108.800 0.045 0.000 2.484 620 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.225 620 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.225 620 G C -0.318 174.617 174.900 0.058 0.000 1.250 620 G CA -0.444 44.681 45.100 0.042 0.000 0.926 620 G HN 0.557 nan 8.290 nan 0.000 0.581 621 N N 1.324 120.055 118.700 0.051 0.000 3.027 621 N HA 0.421 5.161 4.740 -0.000 0.000 0.309 621 N C -0.175 175.371 175.510 0.059 0.000 1.222 621 N CA 0.379 53.460 53.050 0.052 0.000 1.187 621 N CB -1.093 37.419 38.487 0.040 0.000 1.458 621 N HN 0.546 nan 8.380 nan 0.000 0.535 622 L N 0.316 121.584 121.223 0.075 0.000 2.350 622 L HA 0.527 4.867 4.340 -0.000 0.000 0.260 622 L C -0.047 176.871 176.870 0.080 0.000 1.015 622 L CA -1.100 53.785 54.840 0.074 0.000 0.821 622 L CB 1.829 43.941 42.059 0.087 0.000 1.370 622 L HN 0.087 nan 8.230 nan 0.000 0.416 623 N N 0.134 118.860 118.700 0.044 0.000 2.432 623 N HA 0.687 5.427 4.740 -0.000 0.000 0.292 623 N C -1.345 174.140 175.510 -0.042 0.000 1.193 623 N CA -0.446 52.611 53.050 0.012 0.000 0.878 623 N CB 2.751 41.227 38.487 -0.019 0.000 1.252 623 N HN 0.146 nan 8.380 nan 0.000 0.520 624 V N 1.030 120.850 119.914 -0.157 0.000 2.569 624 V HA 0.264 4.384 4.120 -0.000 0.000 0.301 624 V C -1.167 174.620 176.094 -0.511 0.000 1.044 624 V CA -0.856 61.247 62.300 -0.329 0.000 0.874 624 V CB 1.994 33.559 31.823 -0.431 0.000 1.002 624 V HN 0.499 nan 8.190 nan 0.000 0.424 625 D N 3.378 123.566 120.400 -0.352 0.000 2.303 625 D HA 0.309 4.949 4.640 -0.000 0.000 0.236 625 D C -0.218 175.904 176.300 -0.297 0.000 1.068 625 D CA -0.180 53.633 54.000 -0.311 0.000 0.830 625 D CB 1.671 42.365 40.800 -0.176 0.000 1.109 625 D HN 0.484 nan 8.370 nan 0.000 0.496 626 N N 2.038 120.552 118.700 -0.308 0.000 2.990 626 N HA 0.087 4.827 4.740 -0.000 0.000 0.288 626 N C -0.867 174.585 175.510 -0.097 0.000 1.624 626 N CA -0.419 52.537 53.050 -0.158 0.000 0.961 626 N CB 0.207 38.662 38.487 -0.055 0.000 1.259 626 N HN 0.094 nan 8.380 nan 0.000 0.489 627 R N 1.954 122.388 120.500 -0.111 0.000 2.296 627 R HA 0.278 4.618 4.340 -0.000 0.000 0.327 627 R C -0.169 176.076 176.300 -0.093 0.000 1.137 627 R CA -0.409 55.641 56.100 -0.084 0.000 1.020 627 R CB 0.709 30.962 30.300 -0.079 0.000 1.110 627 R HN 0.319 nan 8.270 nan 0.000 0.499 628 L N 4.906 126.080 121.223 -0.082 0.000 2.436 628 L HA 0.313 4.653 4.340 -0.000 0.000 0.265 628 L C -1.593 175.234 176.870 -0.072 0.000 1.168 628 L CA -1.965 52.812 54.840 -0.106 0.000 0.815 628 L CB 0.393 42.397 42.059 -0.093 0.000 1.109 628 L HN 0.269 nan 8.230 nan 0.000 0.462 629 P HA 0.061 nan 4.420 nan 0.000 0.272 629 P C -0.917 176.364 177.300 -0.031 0.000 1.230 629 P CA -0.505 62.567 63.100 -0.047 0.000 0.788 629 P CB 0.412 32.084 31.700 -0.047 0.000 0.949 630 E N 0.507 120.695 120.200 -0.019 0.000 2.437 630 E HA 0.124 4.474 4.350 -0.000 0.000 0.263 630 E C 1.331 177.931 176.600 -0.000 0.000 1.030 630 E CA 0.794 57.190 56.400 -0.007 0.000 0.934 630 E CB -0.395 29.302 29.700 -0.005 0.000 0.943 630 E HN 0.849 nan 8.360 nan 0.000 0.444 631 G N 0.873 109.678 108.800 0.008 0.000 2.184 631 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.264 631 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.264 631 G C 0.443 175.357 174.900 0.023 0.000 0.975 631 G CA 0.393 45.502 45.100 0.015 0.000 0.642 631 G HN 0.695 nan 8.290 nan 0.000 0.536 632 V N -0.600 119.327 119.914 0.022 0.000 2.715 632 V HA 0.769 4.889 4.120 -0.000 0.000 0.299 632 V C 0.921 177.051 176.094 0.061 0.000 1.054 632 V CA 1.078 63.400 62.300 0.037 0.000 1.077 632 V CB 1.477 33.310 31.823 0.018 0.000 0.972 632 V HN 1.149 nan 8.190 nan 0.000 0.484 633 T N 0.827 115.429 114.554 0.081 0.000 3.380 633 T HA 0.434 4.784 4.350 -0.000 0.000 0.289 633 T C 0.466 175.243 174.700 0.129 0.000 1.012 633 T CA 0.315 62.472 62.100 0.094 0.000 0.944 633 T CB -0.478 68.437 68.868 0.079 0.000 1.172 633 T HN 1.348 nan 8.240 nan 0.000 0.502 634 G N 1.151 110.049 108.800 0.163 0.000 2.327 634 G HA2 0.573 4.533 3.960 -0.000 0.000 0.302 634 G HA3 0.573 4.533 3.960 -0.000 0.000 0.302 634 G C 0.285 175.318 174.900 0.222 0.000 1.113 634 G CA -0.602 44.630 45.100 0.220 0.000 0.921 634 G HN 0.728 nan 8.290 nan 0.000 0.425 635 A N 2.835 125.742 122.820 0.146 0.000 2.524 635 A HA 0.374 4.694 4.320 -0.000 0.000 0.250 635 A C 0.259 177.819 177.584 -0.040 0.000 1.078 635 A CA -0.274 51.786 52.037 0.039 0.000 0.761 635 A CB 0.378 19.347 19.000 -0.052 0.000 1.012 635 A HN 1.022 nan 8.150 nan 0.000 0.500 636 L N 4.801 126.036 121.223 0.020 0.000 2.313 636 L HA 0.509 4.849 4.340 -0.000 0.000 0.282 636 L C -0.457 176.316 176.870 -0.163 0.000 1.092 636 L CA 0.338 55.156 54.840 -0.037 0.000 0.831 636 L CB 0.862 43.025 42.059 0.172 0.000 1.159 636 L HN 0.383 nan 8.230 nan 0.000 0.442 637 V N 6.789 126.520 119.914 -0.304 0.000 2.448 637 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 637 V C 0.048 175.999 176.094 -0.239 0.000 1.025 637 V CA -0.509 61.554 62.300 -0.395 0.000 0.859 637 V CB 1.547 32.956 31.823 -0.690 0.000 0.988 637 V HN 0.784 nan 8.190 nan 0.000 0.431 638 M N 4.435 123.952 119.600 -0.139 0.000 2.085 638 M HA 0.393 4.873 4.480 -0.000 0.000 0.309 638 M C -0.604 175.764 176.300 0.112 0.000 0.947 638 M CA -0.499 54.806 55.300 0.009 0.000 0.918 638 M CB 1.705 34.367 32.600 0.103 0.000 1.504 638 M HN 0.830 nan 8.290 nan 0.000 0.420 639 D N 0.839 121.310 120.400 0.118 0.000 2.501 639 D HA 0.219 4.859 4.640 -0.000 0.000 0.224 639 D C 0.778 177.176 176.300 0.163 0.000 1.202 639 D CA -0.204 53.935 54.000 0.231 0.000 0.829 639 D CB 0.268 41.225 40.800 0.263 0.000 1.023 639 D HN 0.539 nan 8.370 nan 0.000 0.499 640 G N 0.116 108.998 108.800 0.135 0.000 3.329 640 G HA2 0.671 4.631 3.960 -0.000 0.000 0.180 640 G HA3 0.671 4.631 3.960 -0.000 0.000 0.180 640 G C -0.318 174.612 174.900 0.049 0.000 1.640 640 G CA 0.010 45.163 45.100 0.089 0.000 1.018 640 G HN 0.520 nan 8.290 nan 0.000 0.581 641 A N -2.601 120.174 122.820 -0.076 0.000 2.581 641 A HA 0.873 5.193 4.320 -0.000 0.000 0.290 641 A C -1.189 176.298 177.584 -0.162 0.000 1.119 641 A CA 0.142 51.923 52.037 -0.427 0.000 0.670 641 A CB 1.024 19.853 19.000 -0.284 0.000 1.280 641 A HN 2.148 nan 8.150 nan 0.000 0.425 642 A N 0.254 122.942 122.820 -0.220 0.000 2.517 642 A HA 0.719 5.039 4.320 -0.000 0.000 0.297 642 A C -1.950 175.554 177.584 -0.134 0.000 1.050 642 A CA -0.132 51.907 52.037 0.004 0.000 0.694 642 A CB 1.676 20.843 19.000 0.279 0.000 1.277 642 A HN 0.913 nan 8.150 nan 0.000 0.400 643 D N 2.053 122.416 120.400 -0.061 0.000 2.381 643 D HA 0.452 5.092 4.640 -0.000 0.000 0.245 643 D C -0.867 175.435 176.300 0.004 0.000 1.297 643 D CA 0.034 53.986 54.000 -0.079 0.000 0.931 643 D CB 0.456 41.205 40.800 -0.086 0.000 1.334 643 D HN 0.748 nan 8.370 nan 0.000 0.535 644 I N -0.520 120.085 120.570 0.058 0.000 2.740 644 I HA 0.573 4.743 4.170 -0.000 0.000 0.303 644 I C 0.930 177.123 176.117 0.126 0.000 1.044 644 I CA -0.757 60.622 61.300 0.131 0.000 1.064 644 I CB 2.292 40.437 38.000 0.242 0.000 1.249 644 I HN 0.044 nan 8.210 nan 0.000 0.433 645 S N 2.014 117.776 115.700 0.103 0.000 2.528 645 S HA 0.339 4.809 4.470 -0.000 0.000 0.219 645 S C 0.831 175.491 174.600 0.101 0.000 0.985 645 S CA 0.195 58.445 58.200 0.084 0.000 0.914 645 S CB -0.277 62.956 63.200 0.056 0.000 0.776 645 S HN 0.995 nan 8.310 nan 0.000 0.526 646 G N 0.480 109.357 108.800 0.128 0.000 3.008 646 G HA2 0.572 4.532 3.960 -0.000 0.000 0.181 646 G HA3 0.572 4.532 3.960 -0.000 0.000 0.181 646 G C -1.002 173.987 174.900 0.150 0.000 1.309 646 G CA -0.543 44.624 45.100 0.113 0.000 1.009 646 G HN 0.250 nan 8.290 nan 0.000 0.584 647 T N 0.165 114.774 114.554 0.092 0.000 2.859 647 T HA 0.466 4.816 4.350 -0.000 0.000 0.281 647 T C -1.437 173.275 174.700 0.020 0.000 1.005 647 T CA -0.064 62.076 62.100 0.066 0.000 1.025 647 T CB 1.492 70.372 68.868 0.020 0.000 0.977 647 T HN 0.256 nan 8.240 nan 0.000 0.458 648 F N 2.524 122.334 119.950 -0.233 0.000 2.404 648 F HA 0.443 4.970 4.527 -0.000 0.000 0.354 648 F C 0.093 175.739 175.800 -0.257 0.000 1.122 648 F CA -0.376 57.419 58.000 -0.341 0.000 1.080 648 F CB 0.966 39.440 39.000 -0.877 0.000 1.131 648 F HN 0.389 nan 8.300 nan 0.000 0.471 649 T N 5.965 120.338 114.554 -0.303 0.000 2.786 649 T HA 0.266 4.616 4.350 -0.000 0.000 0.283 649 T C -0.676 173.949 174.700 -0.126 0.000 0.992 649 T CA -0.584 61.433 62.100 -0.137 0.000 0.954 649 T CB 1.196 69.983 68.868 -0.136 0.000 0.934 649 T HN 0.509 nan 8.240 nan 0.000 0.440 650 Q N 2.193 122.015 119.800 0.037 0.000 2.312 650 Q HA 0.406 4.746 4.340 -0.000 0.000 0.263 650 Q C -0.893 175.126 176.000 0.030 0.000 0.995 650 Q CA -0.433 55.409 55.803 0.066 0.000 0.853 650 Q CB 2.272 31.122 28.738 0.185 0.000 1.300 650 Q HN 0.657 nan 8.270 nan 0.000 0.448 651 E N 3.498 123.706 120.200 0.012 0.000 2.244 651 E HA 0.252 4.602 4.350 -0.000 0.000 0.260 651 E C -1.120 175.487 176.600 0.011 0.000 0.884 651 E CA -0.426 55.976 56.400 0.004 0.000 0.777 651 E CB 0.777 30.465 29.700 -0.019 0.000 1.197 651 E HN 0.663 nan 8.360 nan 0.000 0.416 652 N N 1.579 120.293 118.700 0.024 0.000 5.488 652 N HA -0.204 4.536 4.740 -0.000 0.000 0.373 652 N C 0.196 175.738 175.510 0.053 0.000 1.258 652 N CA 1.373 54.441 53.050 0.030 0.000 2.561 652 N CB -0.737 37.757 38.487 0.011 0.000 0.565 652 N HN 1.006 nan 8.380 nan 0.000 0.714 653 G N 0.324 109.161 108.800 0.062 0.000 2.499 653 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.232 653 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.232 653 G C -0.795 174.165 174.900 0.100 0.000 1.251 653 G CA 0.354 45.507 45.100 0.088 0.000 0.917 653 G HN 0.842 nan 8.290 nan 0.000 0.580 654 R N -1.113 119.458 120.500 0.118 0.000 2.795 654 R HA 0.711 5.051 4.340 -0.000 0.000 0.275 654 R C -1.337 175.026 176.300 0.104 0.000 0.981 654 R CA -0.835 55.325 56.100 0.102 0.000 0.917 654 R CB 1.999 32.349 30.300 0.084 0.000 1.202 654 R HN 0.724 nan 8.270 nan 0.000 0.469 655 L N 0.542 121.816 121.223 0.084 0.000 2.410 655 L HA 0.530 4.870 4.340 -0.000 0.000 0.270 655 L C -1.303 175.460 176.870 -0.178 0.000 0.983 655 L CA 0.107 54.977 54.840 0.050 0.000 0.822 655 L CB 2.554 44.755 42.059 0.238 0.000 1.285 655 L HN 0.543 nan 8.230 nan 0.000 0.409 656 T N 6.073 120.481 114.554 -0.244 0.000 2.906 656 T HA 0.549 4.899 4.350 -0.000 0.000 0.302 656 T C -0.696 173.801 174.700 -0.338 0.000 1.002 656 T CA -0.310 61.590 62.100 -0.334 0.000 0.988 656 T CB 0.688 69.436 68.868 -0.200 0.000 0.972 656 T HN 0.410 nan 8.240 nan 0.000 0.447 657 L N 4.696 125.646 121.223 -0.456 0.000 2.295 657 L HA 0.721 5.061 4.340 -0.000 0.000 0.285 657 L C 0.209 176.917 176.870 -0.269 0.000 1.035 657 L CA -0.733 53.737 54.840 -0.617 0.000 0.806 657 L CB 1.224 42.685 42.059 -0.996 0.000 1.214 657 L HN 0.705 nan 8.230 nan 0.000 0.426 658 Q N 1.777 121.594 119.800 0.028 0.000 2.685 658 Q HA 0.655 4.995 4.340 -0.000 0.000 0.301 658 Q C -0.656 175.590 176.000 0.410 0.000 0.924 658 Q CA -1.018 54.930 55.803 0.241 0.000 0.755 658 Q CB 1.461 30.335 28.738 0.228 0.000 1.470 658 Q HN 0.521 nan 8.270 nan 0.000 0.434 659 G N -0.428 108.602 108.800 0.382 0.000 2.563 659 G HA2 0.361 4.321 3.960 -0.000 0.000 0.283 659 G HA3 0.361 4.321 3.960 -0.000 0.000 0.283 659 G C -1.186 174.023 174.900 0.514 0.000 1.309 659 G CA -0.234 45.107 45.100 0.401 0.000 1.022 659 G HN 0.635 nan 8.290 nan 0.000 0.501 660 H N 0.540 119.757 119.070 0.244 0.000 3.013 660 H HA 0.344 4.900 4.556 -0.000 0.000 0.326 660 H C -2.613 172.529 175.328 -0.311 0.000 0.973 660 H CA -1.590 54.434 56.048 -0.039 0.000 1.369 660 H CB 2.682 32.385 29.762 -0.098 0.000 1.598 660 H HN 0.256 nan 8.280 nan 0.000 0.518 661 P HA -0.083 nan 4.420 nan 0.000 0.266 661 P C 0.138 176.883 177.300 -0.926 0.000 1.195 661 P CA -0.131 62.074 63.100 -1.493 0.000 0.768 661 P CB 1.231 31.891 31.700 -1.733 0.000 0.838 662 V N 5.233 124.847 119.914 -0.500 0.000 2.557 662 V HA -0.097 4.023 4.120 -0.000 0.000 0.301 662 V C 1.263 177.208 176.094 -0.249 0.000 1.026 662 V CA 0.418 62.548 62.300 -0.284 0.000 1.137 662 V CB -0.796 30.926 31.823 -0.169 0.000 0.917 662 V HN 0.357 nan 8.190 nan 0.000 0.484 663 I N 6.264 126.713 120.570 -0.203 0.000 2.618 663 I HA 0.154 4.324 4.170 -0.000 0.000 0.284 663 I C 0.623 176.651 176.117 -0.148 0.000 1.146 663 I CA 0.348 61.580 61.300 -0.114 0.000 1.425 663 I CB -0.062 37.916 38.000 -0.036 0.000 1.383 663 I HN 0.618 nan 8.210 nan 0.000 0.562 664 H N 4.102 123.165 119.070 -0.012 0.000 2.710 664 H HA 0.565 5.121 4.556 -0.000 0.000 0.361 664 H C -0.202 175.192 175.328 0.110 0.000 1.175 664 H CA -0.859 55.214 56.048 0.043 0.000 1.206 664 H CB 2.008 31.784 29.762 0.024 0.000 1.750 664 H HN 0.675 nan 8.280 nan 0.000 0.553 665 A N 1.531 124.479 122.820 0.213 0.000 2.366 665 A HA 0.389 4.709 4.320 -0.000 0.000 0.249 665 A C -0.919 176.791 177.584 0.211 0.000 1.084 665 A CA 0.083 52.207 52.037 0.144 0.000 0.794 665 A CB -0.197 18.842 19.000 0.064 0.000 1.034 665 A HN 0.647 nan 8.150 nan 0.000 0.491 666 Y N -1.219 119.090 120.300 0.016 0.000 2.655 666 Y HA 0.744 5.294 4.550 -0.000 0.000 0.336 666 Y C -0.758 175.104 175.900 -0.064 0.000 1.154 666 Y CA -1.464 56.622 58.100 -0.023 0.000 1.055 666 Y CB 0.742 39.195 38.460 -0.013 0.000 1.295 666 Y HN 0.660 nan 8.280 nan 0.000 0.465 667 N N -0.964 117.746 118.700 0.017 0.000 2.761 667 N HA 0.595 5.335 4.740 -0.000 0.000 0.283 667 N C -1.076 174.474 175.510 0.067 0.000 1.377 667 N CA -0.637 52.335 53.050 -0.129 0.000 0.791 667 N CB 1.678 39.963 38.487 -0.337 0.000 1.540 667 N HN 0.897 nan 8.380 nan 0.000 0.539 668 T N -1.888 112.670 114.554 0.008 0.000 2.726 668 T HA 0.045 4.395 4.350 -0.000 0.000 0.294 668 T C 0.993 175.713 174.700 0.033 0.000 1.013 668 T CA -0.006 62.132 62.100 0.063 0.000 0.996 668 T CB 0.692 69.595 68.868 0.058 0.000 1.016 668 T HN 0.471 nan 8.240 nan 0.000 0.529 669 Q N 0.074 119.898 119.800 0.040 0.000 2.187 669 Q HA 0.012 4.352 4.340 -0.000 0.000 0.199 669 Q C 2.432 178.438 176.000 0.009 0.000 0.957 669 Q CA 1.611 57.429 55.803 0.025 0.000 0.857 669 Q CB -0.683 28.072 28.738 0.028 0.000 0.929 669 Q HN 0.741 nan 8.270 nan 0.000 0.453 670 S N -0.255 115.453 115.700 0.014 0.000 2.359 670 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 670 S C 1.902 176.494 174.600 -0.014 0.000 1.035 670 S CA 1.464 59.669 58.200 0.009 0.000 1.018 670 S CB -0.664 62.551 63.200 0.026 0.000 0.876 670 S HN 0.540 nan 8.310 nan 0.000 0.448 671 V N 0.670 120.561 119.914 -0.037 0.000 2.427 671 V HA 0.009 4.129 4.120 -0.000 0.000 0.248 671 V C 2.249 178.264 176.094 -0.131 0.000 1.051 671 V CA 1.527 63.761 62.300 -0.110 0.000 1.048 671 V CB -1.364 30.307 31.823 -0.253 0.000 0.666 671 V HN 0.397 nan 8.190 nan 0.000 0.456 672 A N 0.561 123.325 122.820 -0.092 0.000 1.933 672 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 672 A C 1.915 179.467 177.584 -0.053 0.000 1.175 672 A CA 1.984 53.982 52.037 -0.064 0.000 0.628 672 A CB -0.802 18.187 19.000 -0.018 0.000 0.814 672 A HN 0.611 nan 8.150 nan 0.000 0.444 673 D N -0.368 120.012 120.400 -0.034 0.000 2.097 673 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 673 D C 1.875 178.146 176.300 -0.048 0.000 0.984 673 D CA 1.375 55.360 54.000 -0.025 0.000 0.826 673 D CB -0.322 40.476 40.800 -0.004 0.000 0.973 673 D HN 0.464 nan 8.370 nan 0.000 0.460 674 K N 0.328 120.697 120.400 -0.052 0.000 2.015 674 K HA -0.145 4.175 4.320 -0.000 0.000 0.216 674 K C 2.282 178.825 176.600 -0.095 0.000 1.052 674 K CA 0.973 57.224 56.287 -0.060 0.000 0.937 674 K CB -0.320 32.148 32.500 -0.053 0.000 0.719 674 K HN 0.046 nan 8.250 nan 0.000 0.446 675 L N -0.041 121.101 121.223 -0.134 0.000 2.127 675 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 675 L C 2.416 179.169 176.870 -0.195 0.000 1.089 675 L CA 1.269 56.010 54.840 -0.166 0.000 0.757 675 L CB -0.387 41.558 42.059 -0.189 0.000 0.899 675 L HN 0.312 nan 8.230 nan 0.000 0.434 676 A N -0.269 122.429 122.820 -0.204 0.000 1.873 676 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 676 A C 2.557 180.013 177.584 -0.212 0.000 1.186 676 A CA 1.499 53.327 52.037 -0.349 0.000 0.616 676 A CB -0.811 18.099 19.000 -0.151 0.000 0.823 676 A HN 0.385 nan 8.150 nan 0.000 0.442 677 A N 0.323 123.085 122.820 -0.096 0.000 1.940 677 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 677 A C 2.352 179.904 177.584 -0.053 0.000 1.190 677 A CA 2.590 54.598 52.037 -0.049 0.000 0.647 677 A CB -0.959 18.022 19.000 -0.032 0.000 0.821 677 A HN 1.204 nan 8.150 nan 0.000 0.457 678 S N -1.989 113.664 115.700 -0.078 0.000 2.634 678 S HA 0.406 4.876 4.470 -0.000 0.000 0.221 678 S C 1.244 175.810 174.600 -0.056 0.000 0.952 678 S CA 0.996 59.165 58.200 -0.052 0.000 0.930 678 S CB -0.339 62.832 63.200 -0.047 0.000 0.780 678 S HN 2.061 nan 8.310 nan 0.000 0.498 679 G N 0.909 109.641 108.800 -0.114 0.000 2.157 679 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 679 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 679 G C -0.342 174.471 174.900 -0.145 0.000 0.979 679 G CA 0.106 45.147 45.100 -0.098 0.000 0.650 679 G HN 0.647 nan 8.290 nan 0.000 0.529 680 D N -0.054 120.219 120.400 -0.213 0.000 2.329 680 D HA 0.446 5.086 4.640 -0.000 0.000 0.232 680 D C 0.817 176.956 176.300 -0.270 0.000 1.088 680 D CA -0.576 53.348 54.000 -0.126 0.000 0.835 680 D CB 0.227 41.014 40.800 -0.021 0.000 1.078 680 D HN 0.323 nan 8.370 nan 0.000 0.495 681 H N 1.781 120.876 119.070 0.041 0.000 2.520 681 H HA 0.056 4.612 4.556 -0.000 0.000 0.284 681 H C 1.470 176.816 175.328 0.030 0.000 1.037 681 H CA 0.187 56.251 56.048 0.027 0.000 1.168 681 H CB 0.468 30.242 29.762 0.020 0.000 1.497 681 H HN 0.378 nan 8.280 nan 0.000 0.547 682 S N -0.223 115.540 115.700 0.104 0.000 2.522 682 S HA 0.006 4.476 4.470 -0.000 0.000 0.227 682 S C 0.968 175.612 174.600 0.073 0.000 0.986 682 S CA -0.203 58.053 58.200 0.092 0.000 0.929 682 S CB -0.341 62.922 63.200 0.104 0.000 0.769 682 S HN -0.055 nan 8.310 nan 0.000 0.529 683 V N 3.400 123.352 119.914 0.063 0.000 2.455 683 V HA 0.293 4.413 4.120 -0.000 0.000 0.273 683 V C 0.036 176.152 176.094 0.037 0.000 1.045 683 V CA -0.641 61.688 62.300 0.048 0.000 0.976 683 V CB 0.552 32.383 31.823 0.012 0.000 0.993 683 V HN 0.324 nan 8.190 nan 0.000 0.475 684 L N 5.018 126.271 121.223 0.050 0.000 2.418 684 L HA 0.390 4.730 4.340 -0.000 0.000 0.265 684 L C 1.333 178.268 176.870 0.107 0.000 1.143 684 L CA 0.715 55.589 54.840 0.056 0.000 0.809 684 L CB 1.423 43.519 42.059 0.062 0.000 1.124 684 L HN 0.846 nan 8.230 nan 0.000 0.456 685 T N -2.224 112.357 114.554 0.044 0.000 3.040 685 T HA 0.259 4.609 4.350 -0.000 0.000 0.266 685 T C 0.104 174.650 174.700 -0.256 0.000 1.005 685 T CA -0.297 61.825 62.100 0.037 0.000 0.906 685 T CB 0.021 68.900 68.868 0.019 0.000 1.082 685 T HN 0.606 nan 8.240 nan 0.000 0.531 686 Q N -0.018 119.544 119.800 -0.397 0.000 2.462 686 Q HA 0.464 4.804 4.340 -0.000 0.000 0.285 686 Q C -2.717 172.987 176.000 -0.494 0.000 1.035 686 Q CA -2.233 53.122 55.803 -0.746 0.000 0.799 686 Q CB 1.695 30.190 28.738 -0.405 0.000 1.452 686 Q HN -0.152 nan 8.270 nan 0.000 0.404 687 P HA -0.122 nan 4.420 nan 0.000 0.217 687 P C 0.334 177.580 177.300 -0.091 0.000 1.150 687 P CA 1.578 64.651 63.100 -0.045 0.000 0.832 687 P CB 0.149 31.863 31.700 0.022 0.000 0.787 688 T N -3.313 111.114 114.554 -0.211 0.000 2.903 688 T HA 0.623 4.973 4.350 -0.000 0.000 0.299 688 T C -0.549 173.934 174.700 -0.361 0.000 1.093 688 T CA -0.666 61.251 62.100 -0.306 0.000 1.002 688 T CB 2.255 70.868 68.868 -0.425 0.000 1.127 688 T HN 0.169 nan 8.240 nan 0.000 0.488 689 S N 0.632 116.103 115.700 -0.382 0.000 2.607 689 S HA 0.628 5.098 4.470 -0.000 0.000 0.273 689 S C -0.067 174.375 174.600 -0.264 0.000 1.148 689 S CA -0.942 57.038 58.200 -0.367 0.000 0.833 689 S CB 0.829 63.925 63.200 -0.174 0.000 1.130 689 S HN 0.462 nan 8.310 nan 0.000 0.470 690 F N 1.819 121.815 119.950 0.076 0.000 2.186 690 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 690 F C 2.830 178.772 175.800 0.236 0.000 1.090 690 F CA 1.437 59.560 58.000 0.205 0.000 1.307 690 F CB -0.511 38.553 39.000 0.107 0.000 1.019 690 F HN 0.766 nan 8.300 nan 0.000 0.489 691 S N -0.084 115.786 115.700 0.284 0.000 2.593 691 S HA 0.000 4.470 4.470 -0.000 0.000 0.217 691 S C 0.743 175.448 174.600 0.176 0.000 0.966 691 S CA -0.612 57.706 58.200 0.197 0.000 0.914 691 S CB -1.048 62.221 63.200 0.116 0.000 0.776 691 S HN 0.529 nan 8.310 nan 0.000 0.523 692 Q N 1.163 121.068 119.800 0.175 0.000 2.421 692 Q HA 0.185 4.525 4.340 -0.000 0.000 0.255 692 Q C 0.244 176.412 176.000 0.279 0.000 1.013 692 Q CA -0.312 55.563 55.803 0.121 0.000 0.895 692 Q CB 0.545 29.268 28.738 -0.025 0.000 1.271 692 Q HN 0.236 nan 8.270 nan 0.000 0.460 693 E N 1.659 121.966 120.200 0.178 0.000 2.299 693 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 693 E C -0.374 176.396 176.600 0.282 0.000 0.998 693 E CA 0.526 57.043 56.400 0.194 0.000 0.851 693 E CB 0.131 29.887 29.700 0.092 0.000 0.795 693 E HN 0.735 nan 8.360 nan 0.000 0.492 694 D N 0.114 120.654 120.400 0.233 0.000 2.396 694 D HA 0.172 4.812 4.640 -0.000 0.000 0.225 694 D C -0.734 175.655 176.300 0.148 0.000 1.121 694 D CA -0.420 53.689 54.000 0.181 0.000 0.853 694 D CB 0.028 40.889 40.800 0.101 0.000 1.043 694 D HN -0.122 nan 8.370 nan 0.000 0.500 695 W N 0.981 122.261 121.300 -0.033 0.000 2.781 695 W HA 0.342 5.002 4.660 -0.000 0.000 0.345 695 W C 0.217 176.706 176.519 -0.050 0.000 1.085 695 W CA -0.897 56.418 57.345 -0.049 0.000 1.198 695 W CB 1.360 30.804 29.460 -0.027 0.000 1.423 695 W HN 0.164 nan 8.180 nan 0.000 0.532 696 E N 2.038 122.315 120.200 0.128 0.000 2.249 696 E HA 0.214 4.564 4.350 -0.000 0.000 0.280 696 E C -0.363 176.279 176.600 0.070 0.000 1.016 696 E CA -0.761 55.661 56.400 0.037 0.000 0.830 696 E CB 0.769 30.429 29.700 -0.067 0.000 1.081 696 E HN 0.186 nan 8.360 nan 0.000 0.395 697 N N 2.848 121.556 118.700 0.014 0.000 2.514 697 N HA 0.211 4.951 4.740 -0.000 0.000 0.277 697 N C -0.387 175.089 175.510 -0.057 0.000 1.126 697 N CA -0.137 52.920 53.050 0.011 0.000 0.978 697 N CB 0.723 39.207 38.487 -0.005 0.000 1.106 697 N HN 0.226 nan 8.380 nan 0.000 0.461 698 R N 0.036 120.511 120.500 -0.042 0.000 2.803 698 R HA 0.512 4.852 4.340 -0.000 0.000 0.276 698 R C -0.448 175.699 176.300 -0.256 0.000 0.978 698 R CA -0.734 55.259 56.100 -0.178 0.000 0.939 698 R CB 1.577 31.789 30.300 -0.148 0.000 1.179 698 R HN 0.593 nan 8.270 nan 0.000 0.472 699 S N 1.820 117.237 115.700 -0.473 0.000 2.557 699 S HA 0.710 5.180 4.470 -0.000 0.000 0.291 699 S C -1.436 172.771 174.600 -0.655 0.000 1.116 699 S CA -0.628 57.344 58.200 -0.380 0.000 0.992 699 S CB 0.545 63.625 63.200 -0.200 0.000 1.028 699 S HN 0.348 nan 8.310 nan 0.000 0.484 700 F N 2.339 122.209 119.950 -0.134 0.000 2.477 700 F HA 0.513 5.040 4.527 -0.000 0.000 0.335 700 F C 0.448 175.927 175.800 -0.535 0.000 1.130 700 F CA -0.485 57.320 58.000 -0.324 0.000 0.948 700 F CB 2.498 41.369 39.000 -0.215 0.000 1.154 700 F HN 0.438 nan 8.300 nan 0.000 0.439 701 T N 4.480 118.695 114.554 -0.565 0.000 2.881 701 T HA 0.667 5.017 4.350 -0.000 0.000 0.291 701 T C -1.066 173.284 174.700 -0.583 0.000 0.990 701 T CA -0.607 61.211 62.100 -0.471 0.000 0.976 701 T CB 0.599 69.334 68.868 -0.222 0.000 0.970 701 T HN 0.240 nan 8.240 nan 0.000 0.438 702 F N 0.592 120.593 119.950 0.085 0.000 2.576 702 F HA 0.399 4.926 4.527 -0.000 0.000 0.313 702 F C 1.303 177.139 175.800 0.061 0.000 1.078 702 F CA -1.321 56.734 58.000 0.092 0.000 0.921 702 F CB 1.342 40.416 39.000 0.123 0.000 1.232 702 F HN 0.470 nan 8.300 nan 0.000 0.459 703 D N 0.889 121.434 120.400 0.242 0.000 2.133 703 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 703 D C 0.468 176.864 176.300 0.161 0.000 0.997 703 D CA 1.833 55.924 54.000 0.151 0.000 0.840 703 D CB 0.327 41.193 40.800 0.110 0.000 0.947 703 D HN 0.504 nan 8.370 nan 0.000 0.452 704 R N -1.137 119.480 120.500 0.195 0.000 2.561 704 R HA 0.379 4.719 4.340 -0.000 0.000 0.266 704 R C -2.138 174.207 176.300 0.074 0.000 1.091 704 R CA -0.809 55.367 56.100 0.126 0.000 0.927 704 R CB 0.842 31.184 30.300 0.069 0.000 1.240 704 R HN 0.079 nan 8.270 nan 0.000 0.449 705 L N 3.569 124.806 121.223 0.022 0.000 2.335 705 L HA 0.433 4.773 4.340 -0.000 0.000 0.268 705 L C -0.902 175.907 176.870 -0.102 0.000 1.037 705 L CA 0.155 54.919 54.840 -0.127 0.000 0.895 705 L CB 1.399 43.336 42.059 -0.204 0.000 1.266 705 L HN 0.576 nan 8.230 nan 0.000 0.439 706 S N 6.021 121.685 115.700 -0.059 0.000 2.465 706 S HA 0.628 5.098 4.470 -0.000 0.000 0.279 706 S C -0.595 173.982 174.600 -0.038 0.000 1.201 706 S CA -0.504 57.670 58.200 -0.043 0.000 1.053 706 S CB 0.049 63.231 63.200 -0.029 0.000 0.953 706 S HN 0.588 nan 8.310 nan 0.000 0.488 707 L N 5.256 126.452 121.223 -0.045 0.000 2.372 707 L HA 0.560 4.900 4.340 -0.000 0.000 0.274 707 L C -0.272 176.594 176.870 -0.008 0.000 0.988 707 L CA -0.546 54.279 54.840 -0.025 0.000 0.833 707 L CB 1.769 43.793 42.059 -0.059 0.000 1.236 707 L HN 0.583 nan 8.230 nan 0.000 0.410 708 K N 4.209 124.612 120.400 0.005 0.000 2.502 708 K HA 0.347 4.667 4.320 -0.000 0.000 0.254 708 K C -0.192 176.417 176.600 0.015 0.000 0.947 708 K CA -0.444 55.845 56.287 0.005 0.000 0.834 708 K CB 0.828 33.325 32.500 -0.004 0.000 1.112 708 K HN 0.609 nan 8.250 nan 0.000 0.427 709 N N 1.128 119.838 118.700 0.017 0.000 2.741 709 N HA -0.144 4.596 4.740 -0.000 0.000 0.251 709 N C -0.856 174.677 175.510 0.038 0.000 1.112 709 N CA 1.633 54.697 53.050 0.023 0.000 0.750 709 N CB -1.568 36.929 38.487 0.015 0.000 1.119 709 N HN 0.741 nan 8.380 nan 0.000 0.561 710 T N -0.946 113.639 114.554 0.052 0.000 2.912 710 T HA 0.395 4.745 4.350 -0.000 0.000 0.280 710 T C -0.002 174.752 174.700 0.090 0.000 0.989 710 T CA -0.695 61.453 62.100 0.080 0.000 0.995 710 T CB 2.407 71.344 68.868 0.115 0.000 1.077 710 T HN 0.038 nan 8.240 nan 0.000 0.531 711 D N 0.169 120.630 120.400 0.102 0.000 2.381 711 D HA 0.391 5.031 4.640 -0.000 0.000 0.235 711 D C -1.637 174.743 176.300 0.132 0.000 1.068 711 D CA -0.745 53.315 54.000 0.099 0.000 0.832 711 D CB 0.628 41.470 40.800 0.069 0.000 1.101 711 D HN 0.417 nan 8.370 nan 0.000 0.515 712 F N 2.844 122.796 119.950 0.004 0.000 2.520 712 F HA 0.724 5.251 4.527 -0.000 0.000 0.322 712 F C -0.410 175.381 175.800 -0.014 0.000 1.103 712 F CA -0.339 57.654 58.000 -0.011 0.000 0.926 712 F CB 2.112 41.096 39.000 -0.026 0.000 1.154 712 F HN 0.322 nan 8.300 nan 0.000 0.453 713 G N 5.325 113.398 108.800 -1.212 0.000 2.682 713 G HA2 0.560 4.520 3.960 -0.000 0.000 0.300 713 G HA3 0.560 4.520 3.960 -0.000 0.000 0.300 713 G C -2.704 171.664 174.900 -0.887 0.000 1.391 713 G CA -0.770 43.899 45.100 -0.719 0.000 0.990 713 G HN 0.789 nan 8.290 nan 0.000 0.501 714 L N 2.629 123.599 121.223 -0.422 0.000 2.342 714 L HA 0.783 5.123 4.340 -0.000 0.000 0.276 714 L C 0.591 177.413 176.870 -0.080 0.000 0.997 714 L CA -0.269 54.452 54.840 -0.199 0.000 0.838 714 L CB 1.212 43.305 42.059 0.056 0.000 1.224 714 L HN 0.701 nan 8.230 nan 0.000 0.416 715 G N 3.875 112.646 108.800 -0.047 0.000 2.543 715 G HA2 0.412 4.372 3.960 -0.000 0.000 0.290 715 G HA3 0.412 4.372 3.960 -0.000 0.000 0.290 715 G C -0.607 174.291 174.900 -0.002 0.000 1.310 715 G CA -0.999 44.094 45.100 -0.012 0.000 1.025 715 G HN 0.888 nan 8.290 nan 0.000 0.502 716 R N -1.190 119.258 120.500 -0.086 0.000 2.758 716 R HA 0.080 4.420 4.340 -0.000 0.000 0.263 716 R C -0.079 176.180 176.300 -0.068 0.000 1.010 716 R CA 0.672 56.678 56.100 -0.158 0.000 1.114 716 R CB -0.180 29.876 30.300 -0.407 0.000 0.985 716 R HN 0.576 nan 8.270 nan 0.000 0.439 717 N N -1.421 117.257 118.700 -0.037 0.000 2.776 717 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 717 N C -1.414 174.169 175.510 0.122 0.000 1.112 717 N CA 1.286 54.367 53.050 0.053 0.000 0.733 717 N CB -0.849 37.716 38.487 0.129 0.000 1.097 717 N HN 0.853 nan 8.380 nan 0.000 0.558 718 A N -0.718 122.185 122.820 0.138 0.000 2.401 718 A HA 0.829 5.149 4.320 -0.000 0.000 0.310 718 A C -0.058 177.640 177.584 0.190 0.000 1.075 718 A CA -0.314 51.860 52.037 0.228 0.000 0.746 718 A CB 1.585 20.813 19.000 0.381 0.000 1.277 718 A HN 0.033 nan 8.150 nan 0.000 0.425 719 T N 1.769 116.435 114.554 0.187 0.000 2.824 719 T HA 0.553 4.903 4.350 -0.000 0.000 0.282 719 T C -1.164 173.656 174.700 0.199 0.000 0.993 719 T CA -0.237 61.944 62.100 0.134 0.000 0.967 719 T CB 1.128 70.015 68.868 0.032 0.000 0.960 719 T HN 0.661 nan 8.240 nan 0.000 0.441 720 L N 3.824 125.165 121.223 0.197 0.000 2.362 720 L HA 0.606 4.946 4.340 -0.000 0.000 0.275 720 L C -1.073 175.801 176.870 0.005 0.000 0.998 720 L CA -0.448 54.524 54.840 0.220 0.000 0.820 720 L CB 1.369 43.690 42.059 0.437 0.000 1.270 720 L HN 0.516 nan 8.230 nan 0.000 0.415 721 N N 3.914 122.580 118.700 -0.057 0.000 2.623 721 N HA 0.444 5.184 4.740 -0.000 0.000 0.256 721 N C -0.976 174.496 175.510 -0.064 0.000 1.045 721 N CA -0.273 52.681 53.050 -0.160 0.000 0.863 721 N CB 1.885 40.280 38.487 -0.153 0.000 1.182 721 N HN 0.654 nan 8.380 nan 0.000 0.523 722 T N -0.282 114.259 114.554 -0.023 0.000 2.769 722 T HA 0.310 4.660 4.350 -0.000 0.000 0.306 722 T C -1.111 173.671 174.700 0.137 0.000 1.400 722 T CA -0.247 61.933 62.100 0.134 0.000 1.007 722 T CB 1.351 70.428 68.868 0.350 0.000 1.392 722 T HN 0.157 nan 8.240 nan 0.000 0.500 723 T N 2.810 117.447 114.554 0.139 0.000 2.727 723 T HA 0.477 4.827 4.350 -0.000 0.000 0.298 723 T C 0.253 175.030 174.700 0.127 0.000 0.942 723 T CA -0.215 61.967 62.100 0.137 0.000 0.997 723 T CB -0.406 68.513 68.868 0.085 0.000 0.917 723 T HN 0.359 nan 8.240 nan 0.000 0.487 724 I N 3.588 124.238 120.570 0.133 0.000 2.416 724 I HA 0.199 4.369 4.170 -0.000 0.000 0.288 724 I C 0.556 176.674 176.117 0.001 0.000 1.051 724 I CA -0.210 61.096 61.300 0.010 0.000 1.375 724 I CB 0.898 38.861 38.000 -0.062 0.000 1.407 724 I HN 0.499 nan 8.210 nan 0.000 0.516 725 Q N 5.912 125.696 119.800 -0.026 0.000 2.454 725 Q HA 0.606 4.946 4.340 -0.000 0.000 0.255 725 Q C -1.161 174.818 176.000 -0.034 0.000 1.034 725 Q CA -0.403 55.390 55.803 -0.016 0.000 0.736 725 Q CB 1.475 30.208 28.738 -0.008 0.000 1.210 725 Q HN 0.781 nan 8.270 nan 0.000 0.500 726 A N 2.920 125.722 122.820 -0.031 0.000 2.337 726 A HA 0.679 4.999 4.320 -0.000 0.000 0.329 726 A C -1.261 176.314 177.584 -0.016 0.000 1.146 726 A CA -0.577 51.441 52.037 -0.032 0.000 0.800 726 A CB 1.285 20.263 19.000 -0.037 0.000 1.220 726 A HN 0.635 nan 8.150 nan 0.000 0.472 727 D N 1.584 121.978 120.400 -0.011 0.000 2.575 727 D HA 0.256 4.896 4.640 -0.000 0.000 0.250 727 D C 0.131 176.431 176.300 -0.000 0.000 1.279 727 D CA -0.130 53.866 54.000 -0.006 0.000 0.925 727 D CB 0.635 41.431 40.800 -0.007 0.000 1.261 727 D HN 0.595 nan 8.370 nan 0.000 0.567 728 N N 1.898 120.598 118.700 0.001 0.000 2.693 728 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 728 N C -1.374 174.144 175.510 0.013 0.000 1.119 728 N CA 1.269 54.322 53.050 0.005 0.000 0.717 728 N CB -0.837 37.653 38.487 0.004 0.000 1.071 728 N HN 0.229 nan 8.380 nan 0.000 0.555 729 S N -0.804 114.906 115.700 0.016 0.000 2.578 729 S HA 0.684 5.154 4.470 -0.000 0.000 0.301 729 S C -0.161 174.460 174.600 0.035 0.000 1.091 729 S CA -0.289 57.931 58.200 0.032 0.000 1.032 729 S CB 1.701 64.921 63.200 0.033 0.000 1.064 729 S HN 0.429 nan 8.310 nan 0.000 0.508 730 S N 0.579 116.310 115.700 0.053 0.000 2.616 730 S HA 0.719 5.189 4.470 -0.000 0.000 0.277 730 S C -0.421 174.242 174.600 0.106 0.000 1.234 730 S CA -0.784 57.448 58.200 0.054 0.000 1.028 730 S CB 1.393 64.618 63.200 0.043 0.000 0.988 730 S HN 0.849 nan 8.310 nan 0.000 0.522 731 V N 1.143 121.116 119.914 0.100 0.000 2.532 731 V HA 0.604 4.724 4.120 -0.000 0.000 0.294 731 V C -1.042 175.121 176.094 0.115 0.000 1.036 731 V CA -0.210 62.208 62.300 0.198 0.000 0.876 731 V CB 1.467 33.368 31.823 0.129 0.000 1.012 731 V HN 1.004 nan 8.190 nan 0.000 0.432 732 T N 8.560 123.175 114.554 0.102 0.000 2.874 732 T HA 0.514 4.864 4.350 -0.000 0.000 0.321 732 T C -0.194 174.519 174.700 0.022 0.000 1.075 732 T CA -0.162 61.950 62.100 0.020 0.000 0.966 732 T CB 0.643 69.501 68.868 -0.018 0.000 1.001 732 T HN 0.636 nan 8.240 nan 0.000 0.476 733 L N 3.050 124.297 121.223 0.040 0.000 2.268 733 L HA 0.540 4.880 4.340 -0.000 0.000 0.289 733 L C 1.122 178.027 176.870 0.058 0.000 1.064 733 L CA -0.268 54.620 54.840 0.079 0.000 0.824 733 L CB 0.361 42.489 42.059 0.115 0.000 1.202 733 L HN 0.970 nan 8.230 nan 0.000 0.433 734 G N 1.546 110.367 108.800 0.035 0.000 2.467 734 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 734 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 734 G C -0.371 174.512 174.900 -0.027 0.000 1.127 734 G CA -0.620 44.484 45.100 0.006 0.000 0.924 734 G HN 0.634 nan 8.290 nan 0.000 0.499 735 D N 0.442 120.815 120.400 -0.045 0.000 2.351 735 D HA 0.453 5.093 4.640 -0.000 0.000 0.251 735 D C 1.725 177.987 176.300 -0.063 0.000 1.137 735 D CA 0.348 54.313 54.000 -0.058 0.000 0.879 735 D CB 1.125 41.876 40.800 -0.082 0.000 1.181 735 D HN 0.387 nan 8.370 nan 0.000 0.448 736 S N 3.181 118.838 115.700 -0.072 0.000 2.562 736 S HA 0.050 4.520 4.470 -0.000 0.000 0.221 736 S C 0.635 175.167 174.600 -0.113 0.000 0.975 736 S CA -0.234 57.911 58.200 -0.092 0.000 0.918 736 S CB 0.089 63.232 63.200 -0.094 0.000 0.772 736 S HN 0.351 nan 8.310 nan 0.000 0.531 737 R N 1.836 122.276 120.500 -0.100 0.000 2.216 737 R HA 0.582 4.922 4.340 -0.000 0.000 0.332 737 R C -0.186 176.077 176.300 -0.061 0.000 1.056 737 R CA -0.201 55.811 56.100 -0.147 0.000 0.901 737 R CB 1.206 31.434 30.300 -0.120 0.000 1.039 737 R HN 0.333 nan 8.270 nan 0.000 0.456 738 V N -0.915 118.935 119.914 -0.106 0.000 3.156 738 V HA 0.728 4.848 4.120 -0.000 0.000 0.310 738 V C -0.904 175.308 176.094 0.197 0.000 1.234 738 V CA -1.158 61.272 62.300 0.217 0.000 1.065 738 V CB 1.763 33.774 31.823 0.314 0.000 1.088 738 V HN 0.432 nan 8.190 nan 0.000 0.451 739 F N 0.796 120.979 119.950 0.389 0.000 2.576 739 F HA 0.838 5.365 4.527 -0.000 0.000 0.313 739 F C -0.092 175.855 175.800 0.245 0.000 1.078 739 F CA -0.785 57.438 58.000 0.372 0.000 0.921 739 F CB 2.073 41.169 39.000 0.159 0.000 1.232 739 F HN 0.752 nan 8.300 nan 0.000 0.459 740 I N -1.081 119.635 120.570 0.242 0.000 2.846 740 I HA 0.667 4.837 4.170 -0.000 0.000 0.307 740 I C -1.392 174.764 176.117 0.066 0.000 1.053 740 I CA -0.852 60.418 61.300 -0.050 0.000 1.050 740 I CB 2.185 39.909 38.000 -0.460 0.000 1.239 740 I HN 0.390 nan 8.210 nan 0.000 0.439 741 D N 3.923 124.363 120.400 0.067 0.000 2.392 741 D HA 0.236 4.876 4.640 -0.000 0.000 0.228 741 D C 0.549 176.885 176.300 0.061 0.000 1.074 741 D CA -0.468 53.616 54.000 0.140 0.000 0.838 741 D CB 1.414 42.381 40.800 0.279 0.000 1.067 741 D HN 0.405 nan 8.370 nan 0.000 0.511 742 K N 2.787 123.216 120.400 0.049 0.000 2.360 742 K HA -0.134 4.186 4.320 -0.000 0.000 0.201 742 K C 0.760 177.369 176.600 0.015 0.000 1.046 742 K CA 0.573 56.850 56.287 -0.017 0.000 0.940 742 K CB -0.011 32.485 32.500 -0.007 0.000 0.748 742 K HN 0.364 nan 8.250 nan 0.000 0.465 743 N N 1.211 119.973 118.700 0.104 0.000 2.214 743 N HA -0.048 4.692 4.740 -0.000 0.000 0.214 743 N C -0.763 174.841 175.510 0.157 0.000 1.132 743 N CA -0.106 53.027 53.050 0.138 0.000 0.856 743 N CB 0.244 38.825 38.487 0.156 0.000 1.020 743 N HN -0.042 nan 8.380 nan 0.000 0.509 744 D N -0.078 120.400 120.400 0.130 0.000 2.520 744 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 744 D C 1.300 177.645 176.300 0.075 0.000 1.160 744 D CA 1.671 55.726 54.000 0.091 0.000 0.877 744 D CB 0.116 40.945 40.800 0.048 0.000 1.150 744 D HN 0.480 nan 8.370 nan 0.000 0.494 745 G N 3.868 112.700 108.800 0.055 0.000 2.217 745 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.246 745 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.246 745 G C 0.948 175.932 174.900 0.140 0.000 0.990 745 G CA 0.372 45.528 45.100 0.093 0.000 0.627 745 G HN 0.545 nan 8.290 nan 0.000 0.522 746 Q N 0.378 120.267 119.800 0.150 0.000 2.280 746 Q HA 0.493 4.833 4.340 -0.000 0.000 0.202 746 Q C 1.300 177.387 176.000 0.146 0.000 0.903 746 Q CA 1.187 57.077 55.803 0.146 0.000 0.948 746 Q CB 0.377 29.206 28.738 0.152 0.000 1.058 746 Q HN 1.679 nan 8.270 nan 0.000 0.493 747 G N -0.750 108.148 108.800 0.164 0.000 2.396 747 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.254 747 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.254 747 G C 0.461 175.484 174.900 0.205 0.000 1.248 747 G CA -0.224 44.982 45.100 0.176 0.000 1.033 747 G HN 0.179 nan 8.290 nan 0.000 0.502 748 T N -1.089 113.591 114.554 0.210 0.000 3.067 748 T HA 0.538 4.888 4.350 -0.000 0.000 0.261 748 T C 1.397 176.252 174.700 0.258 0.000 1.110 748 T CA 1.893 64.148 62.100 0.258 0.000 1.113 748 T CB -0.111 68.913 68.868 0.259 0.000 0.917 748 T HN 2.146 nan 8.240 nan 0.000 0.499 749 A N 1.852 124.774 122.820 0.170 0.000 2.425 749 A HA 0.575 4.895 4.320 -0.000 0.000 0.249 749 A C -0.180 177.493 177.584 0.148 0.000 1.084 749 A CA -0.773 51.305 52.037 0.068 0.000 0.781 749 A CB -0.312 18.705 19.000 0.027 0.000 1.019 749 A HN 0.674 nan 8.150 nan 0.000 0.490 750 F N -0.870 119.119 119.950 0.064 0.000 2.588 750 F HA 0.777 5.304 4.527 -0.000 0.000 0.314 750 F C -0.361 175.464 175.800 0.042 0.000 1.069 750 F CA -0.908 57.123 58.000 0.051 0.000 0.931 750 F CB 1.633 40.622 39.000 -0.018 0.000 1.260 750 F HN 0.241 nan 8.300 nan 0.000 0.465 751 T N 4.171 118.903 114.554 0.297 0.000 3.064 751 T HA 0.363 4.713 4.350 -0.000 0.000 0.367 751 T C -0.350 174.515 174.700 0.274 0.000 1.202 751 T CA -0.411 61.819 62.100 0.217 0.000 1.133 751 T CB 0.336 69.270 68.868 0.111 0.000 1.074 751 T HN 0.620 nan 8.240 nan 0.000 0.519 752 L N 3.243 124.687 121.223 0.368 0.000 2.559 752 L HA 0.187 4.527 4.340 -0.000 0.000 0.274 752 L C 0.738 177.779 176.870 0.286 0.000 1.205 752 L CA 0.524 55.556 54.840 0.320 0.000 0.907 752 L CB 0.338 42.603 42.059 0.344 0.000 1.153 752 L HN 0.618 nan 8.230 nan 0.000 0.490 753 E N 4.081 124.456 120.200 0.292 0.000 2.234 753 E HA 0.215 4.565 4.350 -0.000 0.000 0.266 753 E C -1.106 175.651 176.600 0.262 0.000 0.877 753 E CA -0.761 55.792 56.400 0.255 0.000 0.758 753 E CB 1.816 31.642 29.700 0.209 0.000 1.170 753 E HN 0.590 nan 8.360 nan 0.000 0.415 754 E N 2.756 122.926 120.200 -0.050 0.000 2.283 754 E HA 0.536 4.886 4.350 -0.000 0.000 0.278 754 E C -0.528 175.771 176.600 -0.501 0.000 1.027 754 E CA -0.279 55.768 56.400 -0.588 0.000 0.843 754 E CB 1.089 30.323 29.700 -0.777 0.000 1.062 754 E HN 0.611 nan 8.360 nan 0.000 0.401 755 G N 1.906 110.108 108.800 -0.996 0.000 2.815 755 G HA2 0.393 4.353 3.960 -0.000 0.000 0.305 755 G HA3 0.393 4.353 3.960 -0.000 0.000 0.305 755 G C -1.157 173.138 174.900 -1.008 0.000 1.277 755 G CA -0.557 43.666 45.100 -1.462 0.000 0.795 755 G HN 0.453 nan 8.290 nan 0.000 0.528 756 T N 0.442 114.501 114.554 -0.825 0.000 2.812 756 T HA 0.653 5.003 4.350 -0.000 0.000 0.282 756 T C -0.847 173.722 174.700 -0.219 0.000 0.990 756 T CA -0.277 61.589 62.100 -0.390 0.000 0.960 756 T CB 1.356 70.070 68.868 -0.255 0.000 0.948 756 T HN 0.643 nan 8.240 nan 0.000 0.438 757 S N 2.831 118.462 115.700 -0.116 0.000 2.750 757 S HA 0.538 5.008 4.470 -0.000 0.000 0.276 757 S C -0.924 173.588 174.600 -0.147 0.000 1.165 757 S CA -0.534 57.632 58.200 -0.056 0.000 1.047 757 S CB 0.641 63.889 63.200 0.079 0.000 1.056 757 S HN 0.458 nan 8.310 nan 0.000 0.481 758 V N 4.474 124.311 119.914 -0.128 0.000 2.370 758 V HA 0.653 4.773 4.120 -0.000 0.000 0.279 758 V C 0.733 176.734 176.094 -0.154 0.000 1.029 758 V CA -0.705 61.517 62.300 -0.129 0.000 0.870 758 V CB 1.148 32.917 31.823 -0.090 0.000 0.984 758 V HN 1.033 nan 8.190 nan 0.000 0.451 759 A N 3.683 126.398 122.820 -0.174 0.000 2.491 759 A HA 0.408 4.728 4.320 -0.000 0.000 0.261 759 A C 1.215 178.738 177.584 -0.103 0.000 1.101 759 A CA 0.496 52.433 52.037 -0.167 0.000 0.772 759 A CB 0.023 18.930 19.000 -0.156 0.000 1.043 759 A HN 1.045 nan 8.150 nan 0.000 0.501 760 T N 0.011 114.513 114.554 -0.087 0.000 2.990 760 T HA 0.216 4.566 4.350 -0.000 0.000 0.250 760 T C 0.560 175.233 174.700 -0.046 0.000 1.041 760 T CA 0.340 62.405 62.100 -0.057 0.000 1.010 760 T CB 0.021 68.860 68.868 -0.048 0.000 1.003 760 T HN 0.574 nan 8.240 nan 0.000 0.499 761 K N 1.471 121.841 120.400 -0.050 0.000 2.182 761 K HA 0.363 4.683 4.320 -0.000 0.000 0.262 761 K C -0.211 176.368 176.600 -0.034 0.000 0.957 761 K CA -0.732 55.534 56.287 -0.036 0.000 0.842 761 K CB 1.733 34.215 32.500 -0.031 0.000 1.099 761 K HN -0.196 nan 8.250 nan 0.000 0.438 762 D N 1.838 122.224 120.400 -0.023 0.000 2.158 762 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 762 D C 1.666 177.956 176.300 -0.017 0.000 0.995 762 D CA 1.462 55.452 54.000 -0.017 0.000 0.846 762 D CB -0.044 40.749 40.800 -0.011 0.000 0.941 762 D HN 0.695 nan 8.370 nan 0.000 0.456 763 A N 0.549 123.358 122.820 -0.018 0.000 2.019 763 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 763 A C 1.504 179.077 177.584 -0.019 0.000 1.164 763 A CA 1.466 53.494 52.037 -0.014 0.000 0.644 763 A CB -0.106 18.888 19.000 -0.010 0.000 0.805 763 A HN 0.075 nan 8.150 nan 0.000 0.449 764 D N -0.577 119.799 120.400 -0.041 0.000 2.349 764 D HA 0.096 4.736 4.640 -0.000 0.000 0.214 764 D C 0.118 176.367 176.300 -0.085 0.000 1.063 764 D CA 0.259 54.213 54.000 -0.077 0.000 0.847 764 D CB 0.200 40.916 40.800 -0.140 0.000 0.933 764 D HN 0.399 nan 8.370 nan 0.000 0.513 765 K N 1.434 121.805 120.400 -0.048 0.000 2.249 765 K HA 0.183 4.503 4.320 -0.000 0.000 0.280 765 K C 0.519 177.120 176.600 0.002 0.000 1.033 765 K CA -0.279 55.989 56.287 -0.032 0.000 0.946 765 K CB 1.149 33.642 32.500 -0.012 0.000 1.005 765 K HN -0.051 nan 8.250 nan 0.000 0.469 766 S N 0.757 116.466 115.700 0.016 0.000 2.563 766 S HA 0.100 4.570 4.470 -0.000 0.000 0.284 766 S C 0.144 174.804 174.600 0.100 0.000 1.331 766 S CA -0.914 57.327 58.200 0.069 0.000 1.047 766 S CB 0.587 63.840 63.200 0.088 0.000 0.859 766 S HN 0.259 nan 8.310 nan 0.000 0.514 767 V N 3.069 123.056 119.914 0.122 0.000 2.604 767 V HA 0.624 4.744 4.120 -0.000 0.000 0.305 767 V C -0.807 175.398 176.094 0.186 0.000 1.043 767 V CA -0.774 61.597 62.300 0.118 0.000 0.888 767 V CB 1.450 33.298 31.823 0.043 0.000 0.995 767 V HN 0.894 nan 8.190 nan 0.000 0.429 768 F N 4.736 124.698 119.950 0.020 0.000 2.518 768 F HA 0.646 5.173 4.527 -0.000 0.000 0.323 768 F C -0.375 175.314 175.800 -0.184 0.000 1.129 768 F CA -0.343 57.638 58.000 -0.032 0.000 0.920 768 F CB 1.678 40.698 39.000 0.033 0.000 1.160 768 F HN 0.466 nan 8.300 nan 0.000 0.440 769 N N 4.574 122.539 118.700 -1.224 0.000 2.399 769 N HA 0.712 5.452 4.740 -0.000 0.000 0.284 769 N C -0.210 174.576 175.510 -1.207 0.000 1.025 769 N CA -0.227 52.213 53.050 -1.016 0.000 0.885 769 N CB 1.896 40.100 38.487 -0.472 0.000 1.339 769 N HN 1.058 nan 8.380 nan 0.000 0.487 770 G N 0.580 108.844 108.800 -0.894 0.000 2.347 770 G HA2 0.009 3.969 3.960 -0.000 0.000 0.224 770 G HA3 0.009 3.969 3.960 -0.000 0.000 0.224 770 G C -1.551 173.337 174.900 -0.020 0.000 1.318 770 G CA -0.541 44.336 45.100 -0.371 0.000 1.016 770 G HN 0.378 nan 8.290 nan 0.000 0.469 771 T N 0.318 114.976 114.554 0.173 0.000 2.841 771 T HA 0.585 4.935 4.350 -0.000 0.000 0.283 771 T C -0.526 174.342 174.700 0.280 0.000 1.000 771 T CA -0.281 61.946 62.100 0.212 0.000 0.977 771 T CB 1.895 70.831 68.868 0.113 0.000 0.979 771 T HN 0.884 nan 8.240 nan 0.000 0.446 772 V N 4.891 124.956 119.914 0.252 0.000 2.277 772 V HA 0.290 4.410 4.120 -0.000 0.000 0.269 772 V C 0.031 176.180 176.094 0.091 0.000 1.036 772 V CA -1.152 61.235 62.300 0.144 0.000 0.821 772 V CB 0.371 32.261 31.823 0.112 0.000 1.052 772 V HN 0.762 nan 8.190 nan 0.000 0.462 773 N N 5.977 124.713 118.700 0.059 0.000 2.416 773 N HA 0.344 5.084 4.740 -0.000 0.000 0.265 773 N C -0.648 174.868 175.510 0.010 0.000 1.195 773 N CA 0.066 53.134 53.050 0.030 0.000 0.943 773 N CB 1.541 40.042 38.487 0.023 0.000 1.115 773 N HN 0.520 nan 8.380 nan 0.000 0.481 774 L N 1.976 123.203 121.223 0.005 0.000 2.329 774 L HA 0.476 4.816 4.340 -0.000 0.000 0.279 774 L C -0.173 176.693 176.870 -0.008 0.000 1.014 774 L CA -0.667 54.170 54.840 -0.005 0.000 0.814 774 L CB 1.515 43.571 42.059 -0.006 0.000 1.257 774 L HN 0.331 nan 8.230 nan 0.000 0.424 775 D N 0.756 121.151 120.400 -0.009 0.000 2.661 775 D HA 0.267 4.907 4.640 -0.000 0.000 0.228 775 D C -0.523 175.772 176.300 -0.008 0.000 1.183 775 D CA -0.464 53.531 54.000 -0.009 0.000 0.844 775 D CB 1.355 42.150 40.800 -0.008 0.000 1.555 775 D HN 0.511 nan 8.370 nan 0.000 0.453 776 N N 2.320 121.015 118.700 -0.009 0.000 2.708 776 N HA -0.244 4.496 4.740 -0.000 0.000 0.255 776 N C -0.579 174.928 175.510 -0.005 0.000 1.046 776 N CA 0.921 53.967 53.050 -0.007 0.000 0.715 776 N CB -0.494 37.989 38.487 -0.006 0.000 0.895 776 N HN 0.514 nan 8.380 nan 0.000 0.545 777 Q N -2.917 116.879 119.800 -0.006 0.000 2.360 777 Q HA -0.161 4.179 4.340 -0.000 0.000 0.192 777 Q C -0.259 175.739 176.000 -0.003 0.000 0.615 777 Q CA 1.293 57.093 55.803 -0.005 0.000 1.355 777 Q CB -2.362 26.375 28.738 -0.003 0.000 1.324 777 Q HN 0.718 nan 8.270 nan 0.000 0.885 778 S N 0.102 115.800 115.700 -0.004 0.000 2.558 778 S HA 0.303 4.773 4.470 -0.000 0.000 0.287 778 S C 0.529 175.126 174.600 -0.005 0.000 1.321 778 S CA 0.055 58.254 58.200 -0.002 0.000 1.048 778 S CB 1.030 64.226 63.200 -0.005 0.000 0.844 778 S HN 0.186 nan 8.310 nan 0.000 0.512 779 V N 3.575 123.489 119.914 -0.001 0.000 2.588 779 V HA 0.522 4.642 4.120 -0.000 0.000 0.304 779 V C -0.710 175.378 176.094 -0.009 0.000 1.042 779 V CA -0.794 61.502 62.300 -0.007 0.000 0.877 779 V CB 1.624 33.444 31.823 -0.004 0.000 0.996 779 V HN 0.658 nan 8.190 nan 0.000 0.425 780 L N 4.863 126.070 121.223 -0.027 0.000 2.349 780 L HA 0.662 5.002 4.340 -0.000 0.000 0.278 780 L C -0.643 176.189 176.870 -0.063 0.000 0.996 780 L CA -0.037 54.777 54.840 -0.045 0.000 0.825 780 L CB 1.742 43.761 42.059 -0.067 0.000 1.243 780 L HN 0.611 nan 8.230 nan 0.000 0.412 781 N N 6.644 125.311 118.700 -0.054 0.000 2.479 781 N HA 0.424 5.164 4.740 -0.000 0.000 0.261 781 N C -0.973 174.489 175.510 -0.080 0.000 0.979 781 N CA -0.187 52.826 53.050 -0.062 0.000 0.930 781 N CB 2.082 40.547 38.487 -0.036 0.000 1.172 781 N HN 0.579 nan 8.380 nan 0.000 0.499 782 I N 2.454 122.947 120.570 -0.129 0.000 2.287 782 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 782 I C 0.452 176.531 176.117 -0.063 0.000 1.069 782 I CA -0.321 60.893 61.300 -0.143 0.000 1.237 782 I CB 0.281 38.060 38.000 -0.368 0.000 1.418 782 I HN 0.252 nan 8.210 nan 0.000 0.481 783 N N 4.835 123.528 118.700 -0.012 0.000 2.235 783 N HA 0.086 4.826 4.740 -0.000 0.000 0.231 783 N C -0.359 175.169 175.510 0.031 0.000 1.177 783 N CA -0.077 52.973 53.050 -0.001 0.000 0.874 783 N CB 0.448 38.926 38.487 -0.015 0.000 1.097 783 N HN 0.631 nan 8.380 nan 0.000 0.518 784 D N -0.683 119.767 120.400 0.083 0.000 2.846 784 D HA 0.270 4.910 4.640 -0.000 0.000 0.273 784 D C -0.144 176.248 176.300 0.154 0.000 1.145 784 D CA -0.650 53.413 54.000 0.106 0.000 1.091 784 D CB 0.497 41.372 40.800 0.126 0.000 1.364 784 D HN -0.174 nan 8.370 nan 0.000 0.613 785 I N 0.608 121.267 120.570 0.148 0.000 2.347 785 I HA 0.197 4.367 4.170 -0.000 0.000 0.294 785 I C -0.636 175.619 176.117 0.230 0.000 1.090 785 I CA -0.396 60.995 61.300 0.151 0.000 1.314 785 I CB -0.209 37.841 38.000 0.084 0.000 1.423 785 I HN 0.159 nan 8.210 nan 0.000 0.503 786 F N 7.674 127.694 119.950 0.115 0.000 2.482 786 F HA 0.483 5.010 4.527 -0.000 0.000 0.331 786 F C -0.314 175.576 175.800 0.149 0.000 1.115 786 F CA -0.534 57.581 58.000 0.192 0.000 0.955 786 F CB 1.144 40.246 39.000 0.170 0.000 1.136 786 F HN 0.329 nan 8.300 nan 0.000 0.452 787 N N 4.013 122.437 118.700 -0.459 0.000 2.607 787 N HA 0.519 5.259 4.740 -0.000 0.000 0.271 787 N C -1.154 174.039 175.510 -0.528 0.000 1.142 787 N CA -0.260 52.597 53.050 -0.322 0.000 0.810 787 N CB 1.660 40.041 38.487 -0.177 0.000 1.306 787 N HN 0.979 nan 8.380 nan 0.000 0.536 788 G N -0.046 108.541 108.800 -0.355 0.000 2.632 788 G HA2 0.506 4.466 3.960 -0.000 0.000 0.292 788 G HA3 0.506 4.466 3.960 -0.000 0.000 0.292 788 G C -0.824 174.222 174.900 0.243 0.000 1.465 788 G CA -0.674 44.356 45.100 -0.118 0.000 0.824 788 G HN 0.345 nan 8.290 nan 0.000 0.509 789 G N -0.758 108.155 108.800 0.188 0.000 2.420 789 G HA2 0.573 4.533 3.960 -0.000 0.000 0.284 789 G HA3 0.573 4.533 3.960 -0.000 0.000 0.284 789 G C -0.377 174.666 174.900 0.237 0.000 1.177 789 G CA -0.555 44.667 45.100 0.204 0.000 0.841 789 G HN 0.644 nan 8.290 nan 0.000 0.527 790 I N 1.407 122.096 120.570 0.199 0.000 2.389 790 I HA 0.232 4.402 4.170 -0.000 0.000 0.288 790 I C -0.714 175.438 176.117 0.060 0.000 0.999 790 I CA -0.724 60.664 61.300 0.146 0.000 1.129 790 I CB 2.011 40.094 38.000 0.137 0.000 1.288 790 I HN 0.181 nan 8.210 nan 0.000 0.444 791 Q N 6.137 125.963 119.800 0.044 0.000 2.394 791 Q HA 0.662 5.002 4.340 -0.000 0.000 0.259 791 Q C -0.766 175.232 176.000 -0.002 0.000 1.021 791 Q CA -0.454 55.352 55.803 0.005 0.000 0.805 791 Q CB 2.242 30.985 28.738 0.008 0.000 1.226 791 Q HN 0.725 nan 8.270 nan 0.000 0.476 792 A N 3.486 126.292 122.820 -0.023 0.000 2.355 792 A HA 0.692 5.012 4.320 -0.000 0.000 0.317 792 A C -0.625 176.940 177.584 -0.031 0.000 1.094 792 A CA -0.679 51.344 52.037 -0.022 0.000 0.764 792 A CB 1.210 20.197 19.000 -0.021 0.000 1.230 792 A HN 0.594 nan 8.150 nan 0.000 0.448 793 N N 2.305 120.991 118.700 -0.023 0.000 2.352 793 N HA 0.179 4.919 4.740 -0.000 0.000 0.291 793 N C -0.886 174.612 175.510 -0.020 0.000 1.040 793 N CA -0.302 52.733 53.050 -0.024 0.000 0.864 793 N CB 1.093 39.567 38.487 -0.021 0.000 1.440 793 N HN 0.654 nan 8.380 nan 0.000 0.483 794 N N 1.419 120.107 118.700 -0.021 0.000 2.714 794 N HA -0.153 4.587 4.740 -0.000 0.000 0.253 794 N C -0.964 174.537 175.510 -0.015 0.000 1.024 794 N CA 1.083 54.123 53.050 -0.017 0.000 0.726 794 N CB -0.855 37.623 38.487 -0.014 0.000 0.908 794 N HN 0.586 nan 8.380 nan 0.000 0.542 795 S N -1.400 114.290 115.700 -0.016 0.000 3.121 795 S HA 0.733 5.203 4.470 -0.000 0.000 0.324 795 S C -0.229 174.362 174.600 -0.015 0.000 1.192 795 S CA -0.604 57.588 58.200 -0.014 0.000 0.937 795 S CB 2.346 65.538 63.200 -0.013 0.000 1.336 795 S HN 0.159 nan 8.310 nan 0.000 0.664 796 T N 1.102 115.646 114.554 -0.016 0.000 2.932 796 T HA 0.643 4.993 4.350 -0.000 0.000 0.318 796 T C -1.578 173.108 174.700 -0.022 0.000 1.265 796 T CA -0.624 61.465 62.100 -0.018 0.000 1.036 796 T CB 1.772 70.629 68.868 -0.018 0.000 1.209 796 T HN 0.884 nan 8.240 nan 0.000 0.484 797 V N 2.045 121.944 119.914 -0.024 0.000 2.638 797 V HA 0.746 4.866 4.120 -0.000 0.000 0.306 797 V C -1.562 174.502 176.094 -0.049 0.000 1.052 797 V CA -0.651 61.624 62.300 -0.043 0.000 0.885 797 V CB 1.814 33.608 31.823 -0.049 0.000 0.999 797 V HN 0.850 nan 8.190 nan 0.000 0.424 798 N N 6.369 125.031 118.700 -0.064 0.000 2.342 798 N HA 0.618 5.358 4.740 -0.000 0.000 0.293 798 N C -1.132 174.328 175.510 -0.084 0.000 1.026 798 N CA -0.248 52.766 53.050 -0.060 0.000 0.857 798 N CB 2.457 40.916 38.487 -0.047 0.000 1.256 798 N HN 0.729 nan 8.380 nan 0.000 0.484 799 I N 1.129 121.651 120.570 -0.080 0.000 2.418 799 I HA 0.172 4.342 4.170 -0.000 0.000 0.287 799 I C 0.901 176.980 176.117 -0.063 0.000 1.008 799 I CA -0.379 60.864 61.300 -0.094 0.000 1.104 799 I CB 1.727 39.661 38.000 -0.110 0.000 1.264 799 I HN 0.553 nan 8.210 nan 0.000 0.438 800 S N 2.047 117.714 115.700 -0.055 0.000 2.603 800 S HA 0.083 4.553 4.470 -0.000 0.000 0.232 800 S C 0.700 175.282 174.600 -0.030 0.000 1.016 800 S CA -0.379 57.797 58.200 -0.040 0.000 0.976 800 S CB 0.361 63.540 63.200 -0.036 0.000 0.921 800 S HN 0.574 nan 8.310 nan 0.000 0.516 801 S N 2.801 118.484 115.700 -0.028 0.000 2.560 801 S HA 0.114 4.584 4.470 -0.000 0.000 0.284 801 S C 0.681 175.279 174.600 -0.003 0.000 1.327 801 S CA 0.206 58.403 58.200 -0.006 0.000 1.055 801 S CB 0.422 63.633 63.200 0.019 0.000 0.868 801 S HN 0.540 nan 8.310 nan 0.000 0.506 802 D N 1.929 122.331 120.400 0.003 0.000 2.336 802 D HA 0.103 4.743 4.640 -0.000 0.000 0.228 802 D C -0.299 176.010 176.300 0.016 0.000 1.120 802 D CA -0.266 53.736 54.000 0.002 0.000 0.839 802 D CB -0.258 40.539 40.800 -0.005 0.000 0.932 802 D HN 0.260 nan 8.370 nan 0.000 0.509 803 S N -0.231 115.491 115.700 0.037 0.000 2.512 803 S HA 0.590 5.060 4.470 -0.000 0.000 0.161 803 S C -0.320 174.344 174.600 0.108 0.000 1.383 803 S CA -0.802 57.433 58.200 0.058 0.000 1.248 803 S CB 0.785 64.017 63.200 0.054 0.000 1.488 803 S HN 0.477 nan 8.310 nan 0.000 0.382 804 A N 1.222 124.107 122.820 0.108 0.000 2.312 804 A HA 0.869 5.189 4.320 -0.000 0.000 0.326 804 A C -0.448 177.252 177.584 0.193 0.000 1.172 804 A CA -0.707 51.447 52.037 0.196 0.000 0.821 804 A CB 0.983 20.029 19.000 0.077 0.000 1.166 804 A HN 0.459 nan 8.150 nan 0.000 0.493 805 V N 3.775 123.873 119.914 0.307 0.000 2.409 805 V HA 0.306 4.426 4.120 -0.000 0.000 0.290 805 V C -0.558 175.733 176.094 0.328 0.000 1.017 805 V CA -0.170 62.263 62.300 0.221 0.000 0.841 805 V CB 1.184 33.088 31.823 0.134 0.000 1.003 805 V HN 0.759 nan 8.190 nan 0.000 0.426 806 L N 4.689 126.075 121.223 0.272 0.000 2.275 806 L HA 0.694 5.034 4.340 -0.000 0.000 0.288 806 L C 1.080 178.095 176.870 0.243 0.000 1.046 806 L CA -0.124 54.916 54.840 0.332 0.000 0.805 806 L CB 1.380 43.608 42.059 0.282 0.000 1.193 806 L HN 0.724 nan 8.230 nan 0.000 0.426 807 G N 1.988 110.921 108.800 0.220 0.000 2.509 807 G HA2 0.035 3.994 3.960 -0.000 0.000 0.269 807 G HA3 0.035 3.994 3.960 -0.000 0.000 0.269 807 G C 0.026 175.026 174.900 0.167 0.000 1.416 807 G CA -0.689 44.504 45.100 0.154 0.000 1.052 807 G HN 0.695 nan 8.290 nan 0.000 0.542 808 N N 0.416 119.190 118.700 0.123 0.000 2.256 808 N HA -0.038 4.702 4.740 -0.000 0.000 0.277 808 N C -0.556 175.008 175.510 0.091 0.000 1.362 808 N CA 0.617 53.732 53.050 0.107 0.000 0.861 808 N CB 0.042 38.574 38.487 0.075 0.000 1.136 808 N HN 0.229 nan 8.380 nan 0.000 0.492 809 S N 1.578 117.319 115.700 0.067 0.000 2.536 809 S HA 0.463 4.933 4.470 -0.000 0.000 0.287 809 S C -0.557 173.916 174.600 -0.211 0.000 1.101 809 S CA -0.688 57.499 58.200 -0.021 0.000 0.950 809 S CB 2.309 65.543 63.200 0.058 0.000 1.056 809 S HN 0.389 nan 8.310 nan 0.000 0.481 810 T N 2.945 117.385 114.554 -0.190 0.000 2.890 810 T HA 0.487 4.837 4.350 -0.000 0.000 0.295 810 T C -1.347 173.233 174.700 -0.199 0.000 0.993 810 T CA -0.428 61.532 62.100 -0.234 0.000 0.979 810 T CB 0.550 69.335 68.868 -0.138 0.000 0.967 810 T HN 0.218 nan 8.240 nan 0.000 0.441 811 L N 3.313 124.380 121.223 -0.260 0.000 2.305 811 L HA 0.605 4.945 4.340 -0.000 0.000 0.284 811 L C 0.337 177.136 176.870 -0.118 0.000 1.013 811 L CA -0.221 54.523 54.840 -0.160 0.000 0.819 811 L CB 1.695 43.661 42.059 -0.154 0.000 1.227 811 L HN 0.594 nan 8.230 nan 0.000 0.417 812 T N 1.124 115.633 114.554 -0.076 0.000 2.809 812 T HA 0.332 4.682 4.350 -0.000 0.000 0.284 812 T C 0.162 174.837 174.700 -0.042 0.000 0.992 812 T CA -0.635 61.431 62.100 -0.056 0.000 0.957 812 T CB 1.129 69.969 68.868 -0.046 0.000 0.942 812 T HN 0.524 nan 8.240 nan 0.000 0.439 813 S N 2.416 118.094 115.700 -0.037 0.000 3.447 813 S HA -0.135 4.335 4.470 -0.000 0.000 0.371 813 S C 0.162 174.745 174.600 -0.029 0.000 0.951 813 S CA 0.628 58.810 58.200 -0.030 0.000 1.269 813 S CB -1.034 62.152 63.200 -0.024 0.000 0.919 813 S HN 0.860 nan 8.310 nan 0.000 0.516 814 T N 1.334 115.869 114.554 -0.032 0.000 3.355 814 T HA 0.565 4.915 4.350 -0.000 0.000 0.324 814 T C 0.099 174.787 174.700 -0.021 0.000 0.932 814 T CA 0.044 62.129 62.100 -0.026 0.000 1.032 814 T CB 1.400 70.251 68.868 -0.027 0.000 1.027 814 T HN 0.666 nan 8.240 nan 0.000 0.456 815 A N 2.816 125.624 122.820 -0.020 0.000 2.445 815 A HA 0.648 4.968 4.320 -0.000 0.000 0.242 815 A C -0.101 177.480 177.584 -0.006 0.000 1.075 815 A CA -0.276 51.749 52.037 -0.020 0.000 0.777 815 A CB 0.103 19.089 19.000 -0.023 0.000 1.013 815 A HN 0.770 nan 8.150 nan 0.000 0.493 816 L N 2.785 124.008 121.223 0.000 0.000 2.345 816 L HA 0.423 4.763 4.340 -0.000 0.000 0.274 816 L C -1.117 175.742 176.870 -0.018 0.000 0.999 816 L CA -0.411 54.436 54.840 0.013 0.000 0.849 816 L CB 1.044 43.154 42.059 0.086 0.000 1.220 816 L HN 0.618 nan 8.230 nan 0.000 0.422 817 N N 5.916 124.601 118.700 -0.026 0.000 2.425 817 N HA 0.439 5.179 4.740 -0.000 0.000 0.268 817 N C -1.225 174.262 175.510 -0.038 0.000 0.991 817 N CA -0.348 52.683 53.050 -0.031 0.000 0.931 817 N CB 2.184 40.654 38.487 -0.029 0.000 1.130 817 N HN 0.431 nan 8.380 nan 0.000 0.493 818 L N 2.722 123.924 121.223 -0.035 0.000 2.280 818 L HA 0.350 4.690 4.340 -0.000 0.000 0.287 818 L C 0.394 177.245 176.870 -0.032 0.000 1.023 818 L CA -0.317 54.500 54.840 -0.038 0.000 0.819 818 L CB 0.794 42.830 42.059 -0.037 0.000 1.212 818 L HN 0.433 nan 8.230 nan 0.000 0.420 819 N N 1.432 120.112 118.700 -0.033 0.000 2.643 819 N HA 0.388 5.128 4.740 -0.000 0.000 0.305 819 N C -0.656 174.838 175.510 -0.027 0.000 1.283 819 N CA -1.084 51.950 53.050 -0.028 0.000 0.946 819 N CB 0.702 39.172 38.487 -0.029 0.000 1.149 819 N HN 0.389 nan 8.380 nan 0.000 0.600 820 K N 0.299 120.685 120.400 -0.024 0.000 2.436 820 K HA 0.113 4.433 4.320 -0.000 0.000 0.282 820 K C 0.458 177.044 176.600 -0.024 0.000 1.044 820 K CA 0.799 57.072 56.287 -0.023 0.000 1.028 820 K CB -0.400 32.087 32.500 -0.021 0.000 0.919 820 K HN 0.755 nan 8.250 nan 0.000 0.474 821 G N 2.068 110.854 108.800 -0.023 0.000 2.213 821 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.226 821 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.226 821 G C 0.121 175.008 174.900 -0.022 0.000 0.992 821 G CA -0.074 45.013 45.100 -0.022 0.000 0.632 821 G HN 0.919 nan 8.290 nan 0.000 0.511 822 A N -0.088 122.717 122.820 -0.025 0.000 2.366 822 A HA 0.642 4.962 4.320 -0.000 0.000 0.249 822 A C 0.368 177.937 177.584 -0.025 0.000 1.084 822 A CA 0.554 52.576 52.037 -0.026 0.000 0.794 822 A CB 0.520 19.500 19.000 -0.032 0.000 1.034 822 A HN 0.829 nan 8.150 nan 0.000 0.491 823 N N -0.286 118.401 118.700 -0.020 0.000 2.655 823 N HA 0.493 5.233 4.740 -0.000 0.000 0.277 823 N C -1.386 174.118 175.510 -0.010 0.000 1.177 823 N CA 0.245 53.284 53.050 -0.019 0.000 0.882 823 N CB 1.735 40.213 38.487 -0.015 0.000 1.481 823 N HN 0.917 nan 8.380 nan 0.000 0.547 824 A N 2.403 125.213 122.820 -0.017 0.000 2.401 824 A HA 0.733 5.053 4.320 -0.000 0.000 0.310 824 A C -1.426 176.155 177.584 -0.006 0.000 1.075 824 A CA -0.631 51.404 52.037 -0.005 0.000 0.746 824 A CB 1.485 20.473 19.000 -0.021 0.000 1.277 824 A HN 0.495 nan 8.150 nan 0.000 0.425 825 L N 1.950 123.186 121.223 0.022 0.000 2.313 825 L HA 0.768 5.108 4.340 -0.000 0.000 0.283 825 L C 0.175 177.073 176.870 0.046 0.000 1.013 825 L CA -0.411 54.440 54.840 0.019 0.000 0.816 825 L CB 1.336 43.411 42.059 0.026 0.000 1.236 825 L HN 0.859 nan 8.230 nan 0.000 0.419 826 A N 3.148 125.984 122.820 0.027 0.000 2.316 826 A HA 0.483 4.803 4.320 -0.000 0.000 0.311 826 A C 0.875 178.511 177.584 0.088 0.000 1.339 826 A CA 0.252 52.338 52.037 0.083 0.000 0.960 826 A CB -0.042 18.991 19.000 0.055 0.000 1.152 826 A HN 0.967 nan 8.150 nan 0.000 0.547 827 S N 1.873 117.634 115.700 0.103 0.000 2.524 827 S HA 0.111 4.581 4.470 -0.000 0.000 0.216 827 S C 0.723 175.369 174.600 0.076 0.000 0.987 827 S CA 0.369 58.612 58.200 0.071 0.000 0.909 827 S CB 0.006 63.244 63.200 0.064 0.000 0.781 827 S HN 0.769 nan 8.310 nan 0.000 0.521 828 Q N 0.244 120.111 119.800 0.112 0.000 3.317 828 Q HA 0.512 4.852 4.340 -0.000 0.000 0.322 828 Q C -0.755 175.339 176.000 0.156 0.000 0.945 828 Q CA -0.898 54.970 55.803 0.108 0.000 0.793 828 Q CB 0.772 29.568 28.738 0.095 0.000 2.225 828 Q HN 0.173 nan 8.270 nan 0.000 0.392 829 S N 0.319 116.116 115.700 0.163 0.000 2.585 829 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 829 S C -1.282 173.475 174.600 0.261 0.000 1.339 829 S CA -0.144 58.187 58.200 0.217 0.000 1.028 829 S CB 0.157 63.497 63.200 0.233 0.000 0.906 829 S HN 0.359 nan 8.310 nan 0.000 0.528 830 F N 2.894 122.927 119.950 0.138 0.000 2.617 830 F HA 0.526 5.053 4.527 -0.000 0.000 0.325 830 F C -1.435 174.447 175.800 0.137 0.000 1.179 830 F CA -0.552 57.533 58.000 0.141 0.000 0.965 830 F CB 0.952 40.072 39.000 0.199 0.000 1.232 830 F HN 0.261 nan 8.300 nan 0.000 0.461 831 V N 5.125 124.740 119.914 -0.498 0.000 2.409 831 V HA 0.533 4.653 4.120 -0.000 0.000 0.290 831 V C -0.579 175.243 176.094 -0.454 0.000 1.017 831 V CA -0.519 61.607 62.300 -0.290 0.000 0.841 831 V CB 1.379 33.073 31.823 -0.215 0.000 1.003 831 V HN 0.761 nan 8.190 nan 0.000 0.426 832 S N 2.226 117.781 115.700 -0.241 0.000 2.526 832 S HA 0.445 4.915 4.470 -0.000 0.000 0.293 832 S C 0.318 174.890 174.600 -0.047 0.000 1.092 832 S CA -0.568 57.526 58.200 -0.176 0.000 0.980 832 S CB 1.673 64.803 63.200 -0.117 0.000 1.048 832 S HN 0.935 nan 8.310 nan 0.000 0.483 833 D N 2.277 122.645 120.400 -0.054 0.000 2.323 833 D HA 0.290 4.930 4.640 -0.000 0.000 0.239 833 D C 0.648 176.919 176.300 -0.048 0.000 1.129 833 D CA -0.102 53.879 54.000 -0.032 0.000 0.865 833 D CB -0.105 40.678 40.800 -0.027 0.000 0.913 833 D HN 0.508 nan 8.370 nan 0.000 0.517 834 G N -0.488 108.269 108.800 -0.072 0.000 3.022 834 G HA2 0.593 4.553 3.960 -0.000 0.000 0.284 834 G HA3 0.593 4.553 3.960 -0.000 0.000 0.284 834 G C -3.106 171.719 174.900 -0.125 0.000 1.375 834 G CA -1.563 43.491 45.100 -0.077 0.000 0.902 834 G HN -0.060 nan 8.290 nan 0.000 0.538 835 P HA 0.484 nan 4.420 nan 0.000 0.281 835 P C -0.890 176.321 177.300 -0.149 0.000 1.249 835 P CA -0.507 62.511 63.100 -0.138 0.000 0.810 835 P CB 2.048 33.702 31.700 -0.077 0.000 1.008 836 V N 3.145 122.939 119.914 -0.201 0.000 2.419 836 V HA 0.272 4.392 4.120 -0.000 0.000 0.287 836 V C -0.426 175.628 176.094 -0.068 0.000 1.017 836 V CA -0.552 61.650 62.300 -0.163 0.000 0.844 836 V CB 1.136 32.750 31.823 -0.347 0.000 1.011 836 V HN 0.487 nan 8.190 nan 0.000 0.429 837 N N 5.668 124.345 118.700 -0.038 0.000 2.444 837 N HA 0.577 5.317 4.740 -0.000 0.000 0.262 837 N C -0.812 174.693 175.510 -0.009 0.000 0.974 837 N CA -0.233 52.808 53.050 -0.016 0.000 0.933 837 N CB 2.574 41.048 38.487 -0.021 0.000 1.137 837 N HN 0.533 nan 8.380 nan 0.000 0.498 838 I N 1.651 122.222 120.570 0.002 0.000 2.405 838 I HA 0.164 4.334 4.170 -0.000 0.000 0.280 838 I C -0.257 175.854 176.117 -0.010 0.000 1.027 838 I CA -0.387 60.910 61.300 -0.005 0.000 1.161 838 I CB 0.831 38.832 38.000 0.001 0.000 1.300 838 I HN 0.202 nan 8.210 nan 0.000 0.463 839 S N 4.839 120.530 115.700 -0.015 0.000 2.438 839 S HA 0.227 4.697 4.470 -0.000 0.000 0.316 839 S C 0.197 174.786 174.600 -0.018 0.000 1.084 839 S CA -0.658 57.533 58.200 -0.015 0.000 1.107 839 S CB 1.029 64.220 63.200 -0.014 0.000 0.981 839 S HN 0.660 nan 8.310 nan 0.000 0.466 840 D N 0.803 121.191 120.400 -0.018 0.000 2.913 840 D HA -0.219 4.421 4.640 -0.000 0.000 0.228 840 D C 0.370 176.656 176.300 -0.024 0.000 1.180 840 D CA 1.483 55.471 54.000 -0.021 0.000 0.761 840 D CB -0.840 39.949 40.800 -0.019 0.000 1.085 840 D HN 0.695 nan 8.370 nan 0.000 0.420 841 A N -0.866 121.939 122.820 -0.026 0.000 2.373 841 A HA 0.770 5.090 4.320 -0.000 0.000 0.291 841 A C 0.188 177.751 177.584 -0.034 0.000 1.171 841 A CA -0.280 51.739 52.037 -0.029 0.000 0.922 841 A CB 1.674 20.657 19.000 -0.029 0.000 1.400 841 A HN -0.013 nan 8.150 nan 0.000 0.474 842 T N 0.778 115.310 114.554 -0.037 0.000 2.840 842 T HA 0.520 4.870 4.350 -0.000 0.000 0.287 842 T C -1.390 173.280 174.700 -0.050 0.000 0.991 842 T CA -0.098 61.974 62.100 -0.046 0.000 0.964 842 T CB 0.875 69.717 68.868 -0.043 0.000 0.954 842 T HN 0.601 nan 8.240 nan 0.000 0.438 843 L N 3.305 124.490 121.223 -0.064 0.000 2.356 843 L HA 0.752 5.092 4.340 -0.000 0.000 0.277 843 L C -0.634 176.175 176.870 -0.100 0.000 0.996 843 L CA -0.069 54.727 54.840 -0.073 0.000 0.822 843 L CB 1.834 43.853 42.059 -0.066 0.000 1.256 843 L HN 0.540 nan 8.230 nan 0.000 0.413 844 S N 5.460 121.107 115.700 -0.087 0.000 2.472 844 S HA 0.743 5.213 4.470 -0.000 0.000 0.303 844 S C -0.669 173.874 174.600 -0.095 0.000 1.099 844 S CA -0.530 57.612 58.200 -0.097 0.000 1.077 844 S CB 1.262 64.421 63.200 -0.069 0.000 1.031 844 S HN 0.536 nan 8.310 nan 0.000 0.487 845 L N 3.088 124.238 121.223 -0.122 0.000 2.317 845 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 845 L C 1.064 177.905 176.870 -0.049 0.000 1.024 845 L CA -0.509 54.279 54.840 -0.088 0.000 0.810 845 L CB 0.775 42.749 42.059 -0.140 0.000 1.240 845 L HN 0.735 nan 8.230 nan 0.000 0.427 846 N N -0.034 118.663 118.700 -0.004 0.000 2.289 846 N HA -0.271 4.469 4.740 -0.000 0.000 0.225 846 N C -0.025 175.481 175.510 -0.008 0.000 0.871 846 N CA 2.045 55.100 53.050 0.008 0.000 2.759 846 N CB -0.377 38.123 38.487 0.021 0.000 0.818 846 N HN 0.766 nan 8.380 nan 0.000 0.471 847 S N -1.151 114.532 115.700 -0.028 0.000 2.550 847 S HA 0.651 5.121 4.470 -0.000 0.000 0.270 847 S C -1.116 173.456 174.600 -0.047 0.000 1.145 847 S CA -0.753 57.425 58.200 -0.036 0.000 0.852 847 S CB 1.456 64.631 63.200 -0.040 0.000 1.119 847 S HN 0.326 nan 8.310 nan 0.000 0.465 848 R N 1.957 122.431 120.500 -0.044 0.000 2.528 848 R HA 0.418 4.758 4.340 -0.000 0.000 0.271 848 R C -1.811 174.459 176.300 -0.052 0.000 1.056 848 R CA -1.984 54.089 56.100 -0.046 0.000 1.117 848 R CB 0.607 30.886 30.300 -0.035 0.000 1.085 848 R HN 0.478 nan 8.270 nan 0.000 0.530 849 P HA 0.076 nan 4.420 nan 0.000 0.261 849 P C -0.764 176.510 177.300 -0.043 0.000 1.352 849 P CA 0.365 63.433 63.100 -0.053 0.000 0.891 849 P CB 0.322 31.988 31.700 -0.057 0.000 1.383 850 D N -1.197 119.179 120.400 -0.039 0.000 2.469 850 D HA 0.044 4.684 4.640 -0.000 0.000 0.215 850 D C 0.302 176.581 176.300 -0.035 0.000 1.154 850 D CA -0.126 53.854 54.000 -0.033 0.000 0.832 850 D CB 0.081 40.864 40.800 -0.028 0.000 1.008 850 D HN 0.311 nan 8.370 nan 0.000 0.506 851 E N 0.073 120.247 120.200 -0.044 0.000 2.314 851 E HA 0.462 4.812 4.350 -0.000 0.000 0.272 851 E C -1.528 175.027 176.600 -0.075 0.000 0.884 851 E CA -1.084 55.285 56.400 -0.052 0.000 0.753 851 E CB 2.351 32.022 29.700 -0.048 0.000 1.213 851 E HN -0.166 nan 8.360 nan 0.000 0.432 852 V N 2.357 122.212 119.914 -0.099 0.000 2.370 852 V HA 0.322 4.442 4.120 -0.000 0.000 0.279 852 V C 0.009 175.935 176.094 -0.281 0.000 1.029 852 V CA -0.488 61.710 62.300 -0.169 0.000 0.870 852 V CB 1.062 32.790 31.823 -0.159 0.000 0.984 852 V HN 0.711 nan 8.190 nan 0.000 0.451 853 S N 3.251 118.785 115.700 -0.277 0.000 2.549 853 S HA 0.488 4.958 4.470 -0.000 0.000 0.297 853 S C 0.235 174.605 174.600 -0.384 0.000 1.115 853 S CA -0.600 57.435 58.200 -0.275 0.000 1.059 853 S CB 0.753 63.877 63.200 -0.125 0.000 1.046 853 S HN 0.789 nan 8.310 nan 0.000 0.506 854 H N 2.567 121.617 119.070 -0.034 0.000 2.581 854 H HA 0.229 4.785 4.556 -0.000 0.000 0.275 854 H C 0.789 176.074 175.328 -0.071 0.000 1.126 854 H CA 0.424 56.443 56.048 -0.049 0.000 1.097 854 H CB 0.242 29.979 29.762 -0.043 0.000 1.626 854 H HN 0.715 nan 8.280 nan 0.000 0.565 855 T N -1.654 112.900 114.554 0.000 0.000 3.288 855 T HA 0.285 4.635 4.350 -0.000 0.000 0.293 855 T C 0.635 175.291 174.700 -0.073 0.000 1.008 855 T CA -0.303 61.776 62.100 -0.036 0.000 0.929 855 T CB -0.118 68.736 68.868 -0.022 0.000 1.152 855 T HN -0.024 nan 8.240 nan 0.000 0.517 856 L N 1.443 122.611 121.223 -0.092 0.000 2.483 856 L HA 0.327 4.667 4.340 -0.000 0.000 0.276 856 L C -0.147 176.623 176.870 -0.167 0.000 1.213 856 L CA -0.586 54.193 54.840 -0.102 0.000 0.843 856 L CB 0.210 42.229 42.059 -0.067 0.000 1.107 856 L HN 0.134 nan 8.230 nan 0.000 0.487 857 L N 3.428 124.577 121.223 -0.124 0.000 2.342 857 L HA 0.551 4.891 4.340 -0.000 0.000 0.271 857 L C -2.201 174.601 176.870 -0.113 0.000 1.008 857 L CA -2.048 52.710 54.840 -0.136 0.000 0.818 857 L CB 1.273 43.288 42.059 -0.073 0.000 1.296 857 L HN 0.291 nan 8.230 nan 0.000 0.427 858 P HA 0.212 nan 4.420 nan 0.000 0.267 858 P C -0.954 176.325 177.300 -0.035 0.000 1.205 858 P CA -0.104 62.959 63.100 -0.063 0.000 0.765 858 P CB 0.657 32.337 31.700 -0.032 0.000 0.828 859 V N 1.580 121.504 119.914 0.016 0.000 3.001 859 V HA 0.570 4.690 4.120 -0.000 0.000 0.314 859 V C -0.919 175.114 176.094 -0.101 0.000 1.099 859 V CA -1.119 61.161 62.300 -0.033 0.000 0.989 859 V CB 1.377 33.239 31.823 0.065 0.000 1.040 859 V HN 0.253 nan 8.190 nan 0.000 0.434 860 Y N 0.396 120.748 120.300 0.087 0.000 2.307 860 Y HA 0.670 5.220 4.550 -0.000 0.000 0.324 860 Y C 0.226 176.189 175.900 0.105 0.000 1.238 860 Y CA -0.368 57.729 58.100 -0.006 0.000 1.280 860 Y CB 0.996 39.261 38.460 -0.325 0.000 1.248 860 Y HN 0.665 nan 8.280 nan 0.000 0.508 861 D N 1.965 122.619 120.400 0.424 0.000 2.323 861 D HA 0.146 4.786 4.640 -0.000 0.000 0.242 861 D C -1.642 175.256 176.300 0.998 0.000 1.347 861 D CA -0.280 54.079 54.000 0.598 0.000 0.988 861 D CB 0.807 41.801 40.800 0.324 0.000 1.314 861 D HN 0.323 nan 8.370 nan 0.000 0.564 862 Y N 0.698 121.395 120.300 0.662 0.000 2.376 862 Y HA 0.690 5.240 4.550 -0.000 0.000 0.340 862 Y C 0.154 176.262 175.900 0.346 0.000 0.965 862 Y CA -1.427 56.968 58.100 0.492 0.000 1.078 862 Y CB 2.047 40.649 38.460 0.238 0.000 1.193 862 Y HN 0.329 nan 8.280 nan 0.000 0.452 863 A N 0.827 123.791 122.820 0.241 0.000 2.469 863 A HA 0.663 4.983 4.320 -0.000 0.000 0.299 863 A C 1.014 178.501 177.584 -0.162 0.000 1.098 863 A CA -0.172 51.681 52.037 -0.307 0.000 0.737 863 A CB 1.073 19.139 19.000 -1.557 0.000 1.312 863 A HN 0.833 nan 8.150 nan 0.000 0.414 864 G N 0.227 108.933 108.800 -0.157 0.000 2.422 864 G HA2 0.263 4.223 3.960 -0.000 0.000 0.218 864 G HA3 0.263 4.223 3.960 -0.000 0.000 0.218 864 G C 0.554 175.393 174.900 -0.102 0.000 1.146 864 G CA 1.529 46.575 45.100 -0.090 0.000 0.769 864 G HN 1.832 nan 8.290 nan 0.000 0.547 865 S N -2.102 113.453 115.700 -0.240 0.000 2.542 865 S HA 0.443 4.913 4.470 -0.000 0.000 0.276 865 S C -1.838 172.529 174.600 -0.388 0.000 1.148 865 S CA -1.126 56.971 58.200 -0.172 0.000 0.886 865 S CB 0.780 63.955 63.200 -0.041 0.000 1.109 865 S HN 0.238 nan 8.310 nan 0.000 0.458 866 W N 1.975 123.287 121.300 0.019 0.000 2.314 866 W HA 0.545 5.205 4.660 -0.000 0.000 0.310 866 W C -0.177 176.319 176.519 -0.038 0.000 1.075 866 W CA -0.471 56.850 57.345 -0.039 0.000 1.253 866 W CB 0.885 30.277 29.460 -0.112 0.000 1.238 866 W HN 0.547 nan 8.180 nan 0.000 0.440 867 N N 4.627 123.392 118.700 0.108 0.000 2.626 867 N HA 0.274 5.014 4.740 -0.000 0.000 0.249 867 N C -1.318 174.215 175.510 0.040 0.000 1.021 867 N CA -0.549 52.537 53.050 0.059 0.000 0.886 867 N CB 1.362 39.862 38.487 0.022 0.000 1.149 867 N HN 0.146 nan 8.380 nan 0.000 0.517 868 L N 2.086 123.329 121.223 0.033 0.000 2.326 868 L HA 0.383 4.723 4.340 -0.000 0.000 0.278 868 L C 0.763 177.636 176.870 0.005 0.000 1.092 868 L CA 0.029 54.875 54.840 0.010 0.000 0.810 868 L CB 0.540 42.594 42.059 -0.009 0.000 1.153 868 L HN 0.417 nan 8.230 nan 0.000 0.439 869 K N 1.450 121.849 120.400 -0.002 0.000 2.482 869 K HA 0.914 5.234 4.320 -0.000 0.000 0.257 869 K C -0.380 176.215 176.600 -0.008 0.000 0.969 869 K CA -0.584 55.701 56.287 -0.003 0.000 0.842 869 K CB 2.128 34.627 32.500 -0.001 0.000 1.359 869 K HN 0.749 nan 8.250 nan 0.000 0.441 870 G N 1.824 110.620 108.800 -0.007 0.000 2.722 870 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 870 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 870 G C -0.263 174.629 174.900 -0.012 0.000 1.282 870 G CA -0.104 44.991 45.100 -0.009 0.000 0.817 870 G HN 0.736 nan 8.290 nan 0.000 0.605 871 D N 0.205 120.598 120.400 -0.011 0.000 2.190 871 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 871 D C 1.814 178.103 176.300 -0.017 0.000 0.992 871 D CA 1.667 55.660 54.000 -0.013 0.000 0.854 871 D CB 0.089 40.883 40.800 -0.010 0.000 0.936 871 D HN 0.534 nan 8.370 nan 0.000 0.462 872 D N -0.006 120.382 120.400 -0.018 0.000 2.339 872 D HA 0.128 4.768 4.640 -0.000 0.000 0.217 872 D C 0.538 176.822 176.300 -0.027 0.000 1.050 872 D CA 0.026 54.013 54.000 -0.022 0.000 0.856 872 D CB 0.084 40.872 40.800 -0.021 0.000 0.922 872 D HN 0.055 nan 8.370 nan 0.000 0.518 873 A N 1.329 124.133 122.820 -0.027 0.000 2.483 873 A HA 0.289 4.609 4.320 -0.000 0.000 0.238 873 A C 0.481 178.038 177.584 -0.045 0.000 1.070 873 A CA 0.243 52.261 52.037 -0.033 0.000 0.770 873 A CB 0.477 19.461 19.000 -0.027 0.000 1.008 873 A HN -0.012 nan 8.150 nan 0.000 0.497 874 R N 0.872 121.339 120.500 -0.054 0.000 2.533 874 R HA 0.430 4.770 4.340 -0.000 0.000 0.288 874 R C -2.083 174.160 176.300 -0.095 0.000 1.039 874 R CA -0.746 55.309 56.100 -0.074 0.000 0.909 874 R CB 1.668 31.927 30.300 -0.067 0.000 1.195 874 R HN 0.572 nan 8.270 nan 0.000 0.438 875 L N 3.483 124.625 121.223 -0.134 0.000 2.345 875 L HA 0.435 4.775 4.340 -0.000 0.000 0.274 875 L C -1.127 175.611 176.870 -0.220 0.000 0.999 875 L CA -0.353 54.374 54.840 -0.188 0.000 0.849 875 L CB 1.165 43.079 42.059 -0.242 0.000 1.220 875 L HN 0.408 nan 8.230 nan 0.000 0.422 876 N N 4.547 123.132 118.700 -0.192 0.000 2.457 876 N HA 0.309 5.049 4.740 -0.000 0.000 0.250 876 N C -0.922 174.465 175.510 -0.204 0.000 0.982 876 N CA -0.176 52.769 53.050 -0.176 0.000 0.941 876 N CB 2.425 40.838 38.487 -0.124 0.000 1.120 876 N HN 0.431 nan 8.380 nan 0.000 0.505 877 V N 1.216 120.989 119.914 -0.234 0.000 2.334 877 V HA 0.701 4.821 4.120 -0.000 0.000 0.281 877 V C 0.656 176.653 176.094 -0.162 0.000 1.016 877 V CA -0.456 61.704 62.300 -0.232 0.000 0.832 877 V CB 0.624 32.242 31.823 -0.341 0.000 0.999 877 V HN 0.583 nan 8.190 nan 0.000 0.439 878 G N 6.984 115.714 108.800 -0.118 0.000 2.606 878 G HA2 0.480 4.440 3.960 -0.000 0.000 0.252 878 G HA3 0.480 4.440 3.960 -0.000 0.000 0.252 878 G C -2.529 172.319 174.900 -0.087 0.000 1.206 878 G CA -1.201 43.847 45.100 -0.087 0.000 0.861 878 G HN 0.743 nan 8.290 nan 0.000 0.561 879 P HA -0.053 nan 4.420 nan 0.000 0.266 879 P C -0.874 176.340 177.300 -0.143 0.000 1.193 879 P CA 0.534 63.481 63.100 -0.256 0.000 0.770 879 P CB 0.119 31.659 31.700 -0.267 0.000 0.836 880 Y N -2.196 118.022 120.300 -0.137 0.000 4.569 880 Y HA -0.208 4.342 4.550 -0.000 0.000 0.237 880 Y C 0.796 176.680 175.900 -0.026 0.000 1.090 880 Y CA 1.004 58.890 58.100 -0.357 0.000 2.052 880 Y CB -2.653 35.579 38.460 -0.380 0.000 1.621 880 Y HN 0.375 nan 8.280 nan 0.000 0.682 881 S N 0.686 116.518 115.700 0.220 0.000 2.438 881 S HA 0.611 5.081 4.470 -0.000 0.000 0.293 881 S C -0.070 174.760 174.600 0.383 0.000 1.141 881 S CA -0.768 57.594 58.200 0.270 0.000 1.080 881 S CB 0.652 63.899 63.200 0.078 0.000 0.978 881 S HN 0.307 nan 8.310 nan 0.000 0.479 882 M N 6.721 126.523 119.600 0.336 0.000 2.151 882 M HA 0.448 4.928 4.480 -0.000 0.000 0.349 882 M C -1.242 175.224 176.300 0.277 0.000 1.284 882 M CA -0.596 54.775 55.300 0.118 0.000 1.173 882 M CB 0.252 32.865 32.600 0.021 0.000 1.469 882 M HN 0.671 nan 8.290 nan 0.000 0.439 883 L N 4.684 126.035 121.223 0.214 0.000 2.307 883 L HA 0.716 5.056 4.340 -0.000 0.000 0.282 883 L C -0.624 176.510 176.870 0.439 0.000 1.051 883 L CA 0.411 55.388 54.840 0.229 0.000 0.804 883 L CB 1.740 43.727 42.059 -0.121 0.000 1.197 883 L HN 0.784 nan 8.230 nan 0.000 0.431 884 S N 3.381 119.363 115.700 0.469 0.000 2.540 884 S HA 0.931 5.401 4.470 -0.000 0.000 0.275 884 S C -0.661 174.262 174.600 0.537 0.000 1.123 884 S CA 0.184 58.579 58.200 0.324 0.000 0.907 884 S CB 1.282 64.264 63.200 -0.363 0.000 1.081 884 S HN 1.616 nan 8.310 nan 0.000 0.476 885 G N 3.177 112.284 108.800 0.511 0.000 2.592 885 G HA2 0.002 3.962 3.960 -0.000 0.000 0.685 885 G HA3 0.002 3.962 3.960 -0.000 0.000 0.685 885 G C -1.435 173.881 174.900 0.694 0.000 1.278 885 G CA -1.151 44.252 45.100 0.506 0.000 0.822 885 G HN 0.807 nan 8.290 nan 0.000 0.652 886 N N -0.428 118.539 118.700 0.445 0.000 2.454 886 N HA 0.356 5.096 4.740 -0.000 0.000 0.254 886 N C 0.492 176.309 175.510 0.512 0.000 1.228 886 N CA 0.176 53.508 53.050 0.469 0.000 0.900 886 N CB 0.694 39.333 38.487 0.254 0.000 1.089 886 N HN 0.528 nan 8.380 nan 0.000 0.449 887 I N 2.204 123.078 120.570 0.506 0.000 2.339 887 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 887 I C -0.318 175.905 176.117 0.176 0.000 0.994 887 I CA -0.663 60.781 61.300 0.240 0.000 1.191 887 I CB 0.876 38.806 38.000 -0.115 0.000 1.343 887 I HN 0.209 nan 8.210 nan 0.000 0.458 888 N N 6.349 125.126 118.700 0.128 0.000 2.354 888 N HA 0.485 5.225 4.740 -0.000 0.000 0.287 888 N C -1.083 174.459 175.510 0.054 0.000 1.016 888 N CA -0.396 52.708 53.050 0.090 0.000 0.871 888 N CB 2.853 41.390 38.487 0.082 0.000 1.299 888 N HN 0.146 nan 8.380 nan 0.000 0.482 889 V N 1.742 121.680 119.914 0.039 0.000 2.487 889 V HA 0.357 4.477 4.120 -0.000 0.000 0.298 889 V C -0.054 176.051 176.094 0.020 0.000 1.028 889 V CA -0.798 61.513 62.300 0.018 0.000 0.860 889 V CB 1.962 33.785 31.823 -0.000 0.000 0.991 889 V HN 0.594 nan 8.190 nan 0.000 0.427 890 Q N 4.170 123.978 119.800 0.014 0.000 2.293 890 Q HA 0.488 4.828 4.340 -0.000 0.000 0.261 890 Q C -0.645 175.359 176.000 0.005 0.000 0.960 890 Q CA -0.230 55.580 55.803 0.012 0.000 0.882 890 Q CB 1.277 30.022 28.738 0.011 0.000 1.275 890 Q HN 0.875 nan 8.270 nan 0.000 0.445 891 D N 1.977 122.381 120.400 0.006 0.000 5.019 891 D HA -0.159 4.481 4.640 -0.000 0.000 0.304 891 D C -0.887 175.413 176.300 -0.000 0.000 2.360 891 D CA 0.492 54.493 54.000 0.002 0.000 1.276 891 D CB -0.102 40.697 40.800 -0.002 0.000 1.079 891 D HN 0.753 nan 8.370 nan 0.000 1.254 892 K N 1.038 121.435 120.400 -0.004 0.000 3.129 892 K HA 0.403 4.723 4.320 -0.000 0.000 0.241 892 K C 0.803 177.394 176.600 -0.014 0.000 1.239 892 K CA -0.080 56.203 56.287 -0.006 0.000 1.239 892 K CB 0.539 33.037 32.500 -0.004 0.000 1.347 892 K HN 0.374 nan 8.250 nan 0.000 0.435 893 G N 0.516 109.305 108.800 -0.019 0.000 2.683 893 G HA2 0.093 4.053 3.960 -0.000 0.000 0.260 893 G HA3 0.093 4.053 3.960 -0.000 0.000 0.260 893 G C -0.448 174.427 174.900 -0.041 0.000 1.238 893 G CA -0.087 44.995 45.100 -0.030 0.000 0.934 893 G HN 0.165 nan 8.290 nan 0.000 0.534 894 T N -0.261 114.258 114.554 -0.057 0.000 2.881 894 T HA 0.448 4.798 4.350 -0.000 0.000 0.291 894 T C -0.514 174.122 174.700 -0.106 0.000 0.990 894 T CA -0.290 61.767 62.100 -0.072 0.000 0.976 894 T CB 1.665 70.496 68.868 -0.061 0.000 0.970 894 T HN 0.347 nan 8.240 nan 0.000 0.438 895 V N 3.546 123.379 119.914 -0.136 0.000 2.417 895 V HA 0.601 4.721 4.120 -0.000 0.000 0.291 895 V C 0.093 176.065 176.094 -0.203 0.000 1.024 895 V CA -0.600 61.577 62.300 -0.205 0.000 0.861 895 V CB 1.809 33.468 31.823 -0.274 0.000 0.985 895 V HN 0.958 nan 8.190 nan 0.000 0.436 896 T N 6.312 120.738 114.554 -0.214 0.000 2.864 896 T HA 0.573 4.923 4.350 -0.000 0.000 0.299 896 T C -0.692 173.878 174.700 -0.217 0.000 1.011 896 T CA -0.308 61.684 62.100 -0.180 0.000 0.975 896 T CB 0.980 69.768 68.868 -0.133 0.000 0.962 896 T HN 0.241 nan 8.240 nan 0.000 0.448 897 L N 3.410 124.505 121.223 -0.213 0.000 2.272 897 L HA 0.734 5.074 4.340 -0.000 0.000 0.289 897 L C 0.802 177.591 176.870 -0.135 0.000 1.032 897 L CA 0.620 55.336 54.840 -0.206 0.000 0.810 897 L CB 0.764 42.687 42.059 -0.226 0.000 1.205 897 L HN 0.976 nan 8.230 nan 0.000 0.422 898 G N 2.010 110.732 108.800 -0.130 0.000 2.719 898 G HA2 0.421 4.381 3.960 -0.000 0.000 0.686 898 G HA3 0.421 4.381 3.960 -0.000 0.000 0.686 898 G C -0.431 174.412 174.900 -0.095 0.000 1.201 898 G CA -0.500 44.534 45.100 -0.110 0.000 0.768 898 G HN 1.102 nan 8.290 nan 0.000 0.629 899 G N -0.073 108.672 108.800 -0.092 0.000 2.488 899 G HA2 0.706 4.666 3.960 -0.000 0.000 0.301 899 G HA3 0.706 4.666 3.960 -0.000 0.000 0.301 899 G C -0.685 174.177 174.900 -0.063 0.000 1.339 899 G CA -0.185 44.874 45.100 -0.069 0.000 0.803 899 G HN 0.841 nan 8.290 nan 0.000 0.482 900 E N -0.998 119.174 120.200 -0.047 0.000 2.390 900 E HA 0.500 4.850 4.350 -0.000 0.000 0.261 900 E C 0.334 176.907 176.600 -0.046 0.000 1.076 900 E CA 0.889 57.268 56.400 -0.036 0.000 0.905 900 E CB 1.201 30.885 29.700 -0.027 0.000 0.984 900 E HN 1.280 nan 8.360 nan 0.000 0.427 901 G N 1.386 110.172 108.800 -0.023 0.000 2.301 901 G HA2 0.098 4.058 3.960 -0.000 0.000 0.290 901 G HA3 0.098 4.058 3.960 -0.000 0.000 0.290 901 G C -1.500 173.457 174.900 0.095 0.000 1.669 901 G CA -0.888 44.192 45.100 -0.032 0.000 0.945 901 G HN 0.252 nan 8.290 nan 0.000 0.710 902 E N 0.920 121.157 120.200 0.060 0.000 2.256 902 E HA 0.593 4.943 4.350 -0.000 0.000 0.267 902 E C 0.462 177.010 176.600 -0.086 0.000 0.892 902 E CA -0.828 55.619 56.400 0.077 0.000 0.775 902 E CB 2.277 32.082 29.700 0.175 0.000 1.207 902 E HN 0.519 nan 8.360 nan 0.000 0.420 903 L N 0.892 121.929 121.223 -0.310 0.000 2.476 903 L HA 0.132 4.472 4.340 -0.000 0.000 0.264 903 L C 0.654 177.389 176.870 -0.224 0.000 1.224 903 L CA -0.110 54.487 54.840 -0.406 0.000 0.821 903 L CB 0.211 41.872 42.059 -0.664 0.000 1.101 903 L HN 0.349 nan 8.230 nan 0.000 0.488 904 S N 1.319 116.899 115.700 -0.200 0.000 2.576 904 S HA 0.098 4.568 4.470 -0.000 0.000 0.276 904 S C -1.515 172.992 174.600 -0.155 0.000 1.339 904 S CA -0.961 57.158 58.200 -0.135 0.000 1.039 904 S CB 0.846 63.979 63.200 -0.111 0.000 0.902 904 S HN 0.491 nan 8.310 nan 0.000 0.516 905 P HA -0.041 nan 4.420 nan 0.000 0.223 905 P C -0.337 176.900 177.300 -0.107 0.000 1.144 905 P CA 1.012 64.045 63.100 -0.112 0.000 0.783 905 P CB 0.009 31.660 31.700 -0.082 0.000 0.771 906 D N 0.635 120.976 120.400 -0.097 0.000 2.473 906 D HA 0.294 4.934 4.640 -0.000 0.000 0.226 906 D C -0.118 176.129 176.300 -0.087 0.000 1.089 906 D CA -0.150 53.803 54.000 -0.079 0.000 0.883 906 D CB 1.236 42.001 40.800 -0.058 0.000 1.029 906 D HN 0.113 nan 8.370 nan 0.000 0.517 907 L N 1.681 122.850 121.223 -0.089 0.000 2.362 907 L HA 0.265 4.605 4.340 -0.000 0.000 0.275 907 L C 1.264 178.103 176.870 -0.052 0.000 0.998 907 L CA -0.801 53.984 54.840 -0.091 0.000 0.820 907 L CB 1.965 43.941 42.059 -0.138 0.000 1.270 907 L HN 0.250 nan 8.230 nan 0.000 0.415 908 T N -0.729 113.804 114.554 -0.034 0.000 2.640 908 T HA 0.026 4.376 4.350 -0.000 0.000 0.316 908 T C 1.018 175.718 174.700 0.002 0.000 1.036 908 T CA -0.210 61.883 62.100 -0.011 0.000 1.009 908 T CB 0.616 69.484 68.868 0.000 0.000 1.017 908 T HN 0.480 nan 8.240 nan 0.000 0.530 909 L N 0.790 122.023 121.223 0.015 0.000 2.056 909 L HA 0.042 4.382 4.340 -0.000 0.000 0.207 909 L C 2.816 179.714 176.870 0.046 0.000 1.078 909 L CA 1.762 56.620 54.840 0.030 0.000 0.749 909 L CB -1.367 40.710 42.059 0.030 0.000 0.901 909 L HN 0.810 nan 8.230 nan 0.000 0.433 910 Q N -0.320 119.509 119.800 0.048 0.000 2.084 910 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 910 Q C 2.032 178.073 176.000 0.068 0.000 0.978 910 Q CA 1.774 57.619 55.803 0.069 0.000 0.844 910 Q CB -0.365 28.419 28.738 0.076 0.000 0.898 910 Q HN 0.497 nan 8.270 nan 0.000 0.426 911 N N -0.054 118.669 118.700 0.037 0.000 2.149 911 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 911 N C 1.621 177.163 175.510 0.053 0.000 1.019 911 N CA 1.104 54.163 53.050 0.015 0.000 0.857 911 N CB -0.125 38.339 38.487 -0.038 0.000 0.997 911 N HN 0.290 nan 8.380 nan 0.000 0.426 912 Q N 0.222 120.059 119.800 0.062 0.000 2.049 912 Q HA 0.064 4.404 4.340 -0.000 0.000 0.198 912 Q C 2.133 178.238 176.000 0.175 0.000 0.971 912 Q CA 0.835 56.710 55.803 0.121 0.000 0.833 912 Q CB -0.312 28.475 28.738 0.083 0.000 0.896 912 Q HN 0.452 nan 8.270 nan 0.000 0.434 913 M N 0.084 119.760 119.600 0.126 0.000 2.279 913 M HA -0.167 4.313 4.480 -0.000 0.000 0.264 913 M C 1.976 178.366 176.300 0.149 0.000 1.062 913 M CA 0.858 56.232 55.300 0.124 0.000 1.099 913 M CB -0.069 32.592 32.600 0.102 0.000 1.394 913 M HN 0.114 nan 8.290 nan 0.000 0.426 914 L N -1.125 120.200 121.223 0.170 0.000 2.162 914 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 914 L C 2.189 179.279 176.870 0.365 0.000 1.086 914 L CA 1.512 56.474 54.840 0.203 0.000 0.778 914 L CB -0.815 41.308 42.059 0.107 0.000 0.928 914 L HN 0.309 nan 8.230 nan 0.000 0.446 915 Y N -0.547 119.858 120.300 0.176 0.000 2.333 915 Y HA -0.176 4.374 4.550 -0.000 0.000 0.290 915 Y C 2.376 178.424 175.900 0.247 0.000 1.144 915 Y CA 1.625 59.819 58.100 0.158 0.000 1.228 915 Y CB -0.462 37.979 38.460 -0.033 0.000 0.985 915 Y HN 0.216 nan 8.280 nan 0.000 0.542 916 S N 0.228 115.955 115.700 0.046 0.000 2.402 916 S HA -0.062 4.408 4.470 -0.000 0.000 0.229 916 S C 1.822 176.425 174.600 0.005 0.000 1.021 916 S CA 1.146 59.308 58.200 -0.064 0.000 0.974 916 S CB -0.350 62.874 63.200 0.039 0.000 0.800 916 S HN 0.499 nan 8.310 nan 0.000 0.484 917 L N -0.103 121.180 121.223 0.099 0.000 2.552 917 L HA 0.062 4.402 4.340 -0.000 0.000 0.227 917 L C 1.311 178.159 176.870 -0.038 0.000 1.146 917 L CA 0.723 55.579 54.840 0.027 0.000 0.858 917 L CB -0.503 41.564 42.059 0.013 0.000 0.969 917 L HN 0.325 nan 8.230 nan 0.000 0.451 918 F N -0.150 119.774 119.950 -0.043 0.000 2.558 918 F HA -0.034 4.493 4.527 -0.000 0.000 0.298 918 F C 1.426 177.260 175.800 0.055 0.000 1.119 918 F CA 0.294 58.296 58.000 0.004 0.000 1.451 918 F CB -0.121 38.883 39.000 0.006 0.000 1.091 918 F HN 0.185 nan 8.300 nan 0.000 0.563 919 N N 0.534 119.302 118.700 0.114 0.000 2.735 919 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 919 N C 1.027 176.544 175.510 0.012 0.000 1.083 919 N CA 1.002 54.099 53.050 0.077 0.000 0.703 919 N CB -1.210 37.361 38.487 0.139 0.000 1.005 919 N HN 0.591 nan 8.380 nan 0.000 0.550 920 G N -2.396 106.363 108.800 -0.068 0.000 2.225 920 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.254 920 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.254 920 G C 0.051 174.735 174.900 -0.359 0.000 0.988 920 G CA 0.508 45.516 45.100 -0.153 0.000 0.625 920 G HN 0.479 nan 8.290 nan 0.000 0.527 921 Y N 0.461 120.737 120.300 -0.041 0.000 2.304 921 Y HA 0.572 5.122 4.550 -0.000 0.000 0.327 921 Y C 1.985 177.824 175.900 -0.102 0.000 1.209 921 Y CA -0.269 57.752 58.100 -0.131 0.000 1.299 921 Y CB 0.613 39.077 38.460 0.006 0.000 1.249 921 Y HN 0.003 nan 8.280 nan 0.000 0.519 922 R N 0.917 121.349 120.500 -0.114 0.000 2.115 922 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 922 R C -0.461 175.764 176.300 -0.125 0.000 1.100 922 R CA 0.913 56.786 56.100 -0.378 0.000 0.980 922 R CB -0.092 29.930 30.300 -0.464 0.000 0.875 922 R HN 0.697 nan 8.270 nan 0.000 0.445 923 N N -0.328 118.433 118.700 0.101 0.000 2.310 923 N HA 0.381 5.121 4.740 -0.000 0.000 0.292 923 N C -1.574 173.998 175.510 0.102 0.000 1.049 923 N CA -0.421 52.721 53.050 0.155 0.000 0.849 923 N CB 2.606 41.099 38.487 0.011 0.000 1.532 923 N HN -0.104 nan 8.380 nan 0.000 0.479 924 I N 1.457 122.052 120.570 0.042 0.000 2.436 924 I HA 0.433 4.603 4.170 -0.000 0.000 0.289 924 I C -1.241 174.923 176.117 0.078 0.000 1.010 924 I CA -0.657 60.599 61.300 -0.073 0.000 1.098 924 I CB 1.261 39.095 38.000 -0.277 0.000 1.266 924 I HN 0.488 nan 8.210 nan 0.000 0.434 925 W N 6.831 128.072 121.300 -0.097 0.000 2.702 925 W HA 0.617 5.277 4.660 -0.000 0.000 0.331 925 W C -0.853 175.708 176.519 0.070 0.000 1.049 925 W CA -1.283 56.026 57.345 -0.060 0.000 1.230 925 W CB 1.881 31.227 29.460 -0.191 0.000 1.408 925 W HN 0.340 nan 8.180 nan 0.000 0.492 926 S N 4.902 120.477 115.700 -0.209 0.000 2.707 926 S HA 0.869 5.339 4.470 -0.000 0.000 0.312 926 S C -0.477 173.805 174.600 -0.531 0.000 1.116 926 S CA 0.349 58.327 58.200 -0.370 0.000 1.078 926 S CB 0.173 63.283 63.200 -0.150 0.000 0.997 926 S HN 1.328 nan 8.310 nan 0.000 0.477 927 G N 2.339 110.670 108.800 -0.781 0.000 2.313 927 G HA2 0.447 4.407 3.960 -0.000 0.000 0.296 927 G HA3 0.447 4.407 3.960 -0.000 0.000 0.296 927 G C -1.163 173.515 174.900 -0.369 0.000 1.356 927 G CA -0.217 44.658 45.100 -0.374 0.000 0.833 927 G HN 1.289 nan 8.290 nan 0.000 0.552 928 S N -1.160 114.543 115.700 0.006 0.000 2.578 928 S HA 0.739 5.209 4.470 -0.000 0.000 0.301 928 S C -0.814 173.995 174.600 0.348 0.000 1.091 928 S CA -0.767 57.510 58.200 0.127 0.000 1.032 928 S CB 2.073 65.319 63.200 0.075 0.000 1.064 928 S HN 1.393 nan 8.310 nan 0.000 0.508 929 L N 2.384 123.855 121.223 0.412 0.000 2.264 929 L HA 0.476 4.816 4.340 -0.000 0.000 0.287 929 L C -0.278 176.736 176.870 0.240 0.000 1.039 929 L CA -0.247 54.831 54.840 0.397 0.000 0.829 929 L CB 0.378 42.674 42.059 0.395 0.000 1.211 929 L HN 0.937 nan 8.230 nan 0.000 0.427 930 N N 4.503 123.312 118.700 0.181 0.000 2.816 930 N HA 0.604 5.344 4.740 -0.000 0.000 0.236 930 N C -0.801 174.763 175.510 0.090 0.000 1.076 930 N CA -0.010 53.114 53.050 0.123 0.000 0.902 930 N CB 0.748 39.297 38.487 0.103 0.000 1.149 930 N HN 0.732 nan 8.380 nan 0.000 0.506 931 A N 4.087 126.956 122.820 0.081 0.000 3.415 931 A HA 0.339 4.659 4.320 -0.000 0.000 0.244 931 A C -1.979 175.633 177.584 0.046 0.000 0.988 931 A CA -0.787 51.281 52.037 0.051 0.000 0.991 931 A CB 0.526 19.546 19.000 0.033 0.000 1.240 931 A HN 0.520 nan 8.150 nan 0.000 0.541 932 P HA -0.144 nan 4.420 nan 0.000 0.218 932 P C 0.182 177.502 177.300 0.034 0.000 1.148 932 P CA 1.669 64.795 63.100 0.043 0.000 0.822 932 P CB 0.171 31.895 31.700 0.040 0.000 0.784 933 D N -1.397 119.018 120.400 0.025 0.000 2.398 933 D HA 0.240 4.880 4.640 -0.000 0.000 0.210 933 D C 0.725 177.031 176.300 0.011 0.000 1.094 933 D CA -0.189 53.822 54.000 0.018 0.000 0.839 933 D CB -0.025 40.783 40.800 0.014 0.000 0.963 933 D HN 0.103 nan 8.370 nan 0.000 0.506 934 A N 0.540 123.365 122.820 0.008 0.000 2.425 934 A HA 0.426 4.746 4.320 -0.000 0.000 0.242 934 A C 0.479 178.058 177.584 -0.007 0.000 1.077 934 A CA -0.035 51.998 52.037 -0.007 0.000 0.781 934 A CB 0.319 19.310 19.000 -0.016 0.000 1.020 934 A HN 0.058 nan 8.150 nan 0.000 0.494 935 T N 1.481 116.023 114.554 -0.020 0.000 2.767 935 T HA 0.506 4.856 4.350 -0.000 0.000 0.288 935 T C -0.371 174.301 174.700 -0.046 0.000 0.963 935 T CA -0.176 61.911 62.100 -0.021 0.000 1.019 935 T CB 0.669 69.525 68.868 -0.021 0.000 0.923 935 T HN 0.446 nan 8.240 nan 0.000 0.468 936 V N 2.736 122.624 119.914 -0.044 0.000 2.604 936 V HA 0.798 4.918 4.120 -0.000 0.000 0.305 936 V C -0.169 175.883 176.094 -0.070 0.000 1.043 936 V CA -0.774 61.475 62.300 -0.084 0.000 0.888 936 V CB 2.082 33.846 31.823 -0.098 0.000 0.995 936 V HN 0.865 nan 8.190 nan 0.000 0.429 937 S N 5.529 121.168 115.700 -0.102 0.000 2.575 937 S HA 0.824 5.294 4.470 -0.000 0.000 0.278 937 S C -1.139 173.403 174.600 -0.097 0.000 1.139 937 S CA -0.647 57.509 58.200 -0.073 0.000 0.954 937 S CB 1.168 64.333 63.200 -0.059 0.000 1.054 937 S HN 0.647 nan 8.310 nan 0.000 0.483 938 M N 3.457 123.021 119.600 -0.060 0.000 2.267 938 M HA 0.401 4.881 4.480 -0.000 0.000 0.289 938 M C -1.120 175.172 176.300 -0.014 0.000 1.043 938 M CA -0.544 54.720 55.300 -0.060 0.000 0.928 938 M CB 2.460 35.025 32.600 -0.059 0.000 1.613 938 M HN 0.528 nan 8.290 nan 0.000 0.450 939 T N 0.812 115.359 114.554 -0.011 0.000 2.876 939 T HA 0.285 4.635 4.350 -0.000 0.000 0.289 939 T C -0.248 174.481 174.700 0.048 0.000 1.014 939 T CA -0.273 61.845 62.100 0.029 0.000 0.986 939 T CB 1.321 70.195 68.868 0.010 0.000 1.021 939 T HN 0.795 nan 8.240 nan 0.000 0.458 940 D N 1.407 121.891 120.400 0.140 0.000 2.737 940 D HA -0.127 4.513 4.640 -0.000 0.000 0.233 940 D C -0.004 176.407 176.300 0.186 0.000 1.155 940 D CA 1.216 55.332 54.000 0.193 0.000 0.667 940 D CB -0.893 39.907 40.800 -0.001 0.000 1.060 940 D HN 0.453 nan 8.370 nan 0.000 0.427 941 T N 0.313 114.947 114.554 0.134 0.000 2.925 941 T HA 0.395 4.745 4.350 -0.000 0.000 0.285 941 T C 0.312 174.905 174.700 -0.178 0.000 1.021 941 T CA -0.616 61.498 62.100 0.023 0.000 1.042 941 T CB 2.477 71.341 68.868 -0.007 0.000 1.037 941 T HN 0.095 nan 8.240 nan 0.000 0.481 942 Q N 1.877 121.432 119.800 -0.407 0.000 2.394 942 Q HA 0.330 4.670 4.340 -0.000 0.000 0.259 942 Q C -1.705 174.208 176.000 -0.146 0.000 1.021 942 Q CA -0.807 54.625 55.803 -0.618 0.000 0.805 942 Q CB 0.727 28.727 28.738 -1.230 0.000 1.226 942 Q HN 0.666 nan 8.270 nan 0.000 0.476 943 W N 4.432 125.584 121.300 -0.246 0.000 2.283 943 W HA 0.401 5.061 4.660 -0.000 0.000 0.317 943 W C -0.995 175.414 176.519 -0.184 0.000 1.042 943 W CA -1.223 56.001 57.345 -0.202 0.000 1.348 943 W CB 1.322 30.671 29.460 -0.185 0.000 1.216 943 W HN 0.571 nan 8.180 nan 0.000 0.404 944 S N 8.069 123.793 115.700 0.041 0.000 2.399 944 S HA 0.385 4.855 4.470 -0.000 0.000 0.301 944 S C -0.191 174.119 174.600 -0.484 0.000 1.093 944 S CA -0.658 57.484 58.200 -0.098 0.000 1.077 944 S CB -0.185 63.057 63.200 0.070 0.000 0.980 944 S HN 0.597 nan 8.310 nan 0.000 0.494 945 M N 5.512 124.572 119.600 -0.900 0.000 2.157 945 M HA 0.364 4.844 4.480 -0.000 0.000 0.354 945 M C -0.172 175.853 176.300 -0.458 0.000 1.170 945 M CA 0.108 54.860 55.300 -0.913 0.000 1.060 945 M CB 0.405 32.111 32.600 -1.490 0.000 1.615 945 M HN 0.765 nan 8.290 nan 0.000 0.460 946 N N 2.789 121.328 118.700 -0.269 0.000 2.203 946 N HA 0.354 5.094 4.740 -0.000 0.000 0.207 946 N C -0.134 175.322 175.510 -0.090 0.000 1.130 946 N CA -0.520 52.437 53.050 -0.154 0.000 0.861 946 N CB 0.989 39.407 38.487 -0.115 0.000 1.005 946 N HN 0.804 nan 8.380 nan 0.000 0.507 947 G N -0.137 108.613 108.800 -0.083 0.000 2.441 947 G HA2 0.098 4.058 3.960 -0.000 0.000 0.294 947 G HA3 0.098 4.058 3.960 -0.000 0.000 0.294 947 G C -1.611 173.286 174.900 -0.006 0.000 1.393 947 G CA -0.822 44.262 45.100 -0.025 0.000 0.796 947 G HN -0.077 nan 8.290 nan 0.000 0.494 948 N N 0.132 118.849 118.700 0.028 0.000 2.441 948 N HA 0.494 5.234 4.740 -0.000 0.000 0.251 948 N C -0.263 175.289 175.510 0.070 0.000 1.242 948 N CA 0.416 53.497 53.050 0.052 0.000 0.898 948 N CB 1.199 39.717 38.487 0.052 0.000 1.100 948 N HN 0.444 nan 8.380 nan 0.000 0.443 949 S N -0.697 115.058 115.700 0.092 0.000 2.540 949 S HA 0.621 5.091 4.470 -0.000 0.000 0.275 949 S C -0.550 174.141 174.600 0.152 0.000 1.123 949 S CA -0.945 57.348 58.200 0.155 0.000 0.907 949 S CB 1.688 65.036 63.200 0.248 0.000 1.081 949 S HN 0.628 nan 8.310 nan 0.000 0.476 950 T N -0.594 114.050 114.554 0.151 0.000 2.876 950 T HA 0.916 5.266 4.350 -0.000 0.000 0.289 950 T C -0.698 174.077 174.700 0.124 0.000 1.014 950 T CA -0.940 61.233 62.100 0.121 0.000 0.986 950 T CB 1.798 70.718 68.868 0.087 0.000 1.021 950 T HN 0.849 nan 8.240 nan 0.000 0.458 951 A N 1.271 124.156 122.820 0.109 0.000 2.486 951 A HA 0.863 5.183 4.320 -0.000 0.000 0.300 951 A C 0.955 178.579 177.584 0.067 0.000 1.048 951 A CA -0.423 51.666 52.037 0.086 0.000 0.696 951 A CB 1.321 20.380 19.000 0.099 0.000 1.278 951 A HN 1.156 nan 8.150 nan 0.000 0.405 952 G N 0.957 109.785 108.800 0.047 0.000 2.575 952 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.215 952 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.215 952 G C 0.348 175.274 174.900 0.044 0.000 1.262 952 G CA 0.617 45.740 45.100 0.040 0.000 0.807 952 G HN 0.723 nan 8.290 nan 0.000 0.567 953 N N 0.319 119.040 118.700 0.036 0.000 2.443 953 N HA 0.413 5.153 4.740 -0.000 0.000 0.269 953 N C -1.244 174.290 175.510 0.040 0.000 0.985 953 N CA -0.210 52.863 53.050 0.038 0.000 0.921 953 N CB 2.078 40.580 38.487 0.024 0.000 1.195 953 N HN 0.242 nan 8.380 nan 0.000 0.492 954 M N 1.845 121.483 119.600 0.063 0.000 2.383 954 M HA 0.348 4.828 4.480 -0.000 0.000 0.325 954 M C -1.245 175.098 176.300 0.072 0.000 1.092 954 M CA -0.550 54.793 55.300 0.071 0.000 0.961 954 M CB 1.823 34.495 32.600 0.120 0.000 1.672 954 M HN 0.172 nan 8.290 nan 0.000 0.438 955 K N 5.592 126.021 120.400 0.048 0.000 2.413 955 K HA 0.603 4.923 4.320 -0.000 0.000 0.257 955 K C -1.968 174.659 176.600 0.045 0.000 0.946 955 K CA -0.518 55.795 56.287 0.044 0.000 0.823 955 K CB 1.340 33.852 32.500 0.019 0.000 1.109 955 K HN 0.780 nan 8.250 nan 0.000 0.427 956 L N 3.038 124.299 121.223 0.063 0.000 2.346 956 L HA 0.473 4.813 4.340 -0.000 0.000 0.274 956 L C -0.602 176.295 176.870 0.044 0.000 1.007 956 L CA -1.034 53.838 54.840 0.053 0.000 0.818 956 L CB 1.886 43.985 42.059 0.067 0.000 1.284 956 L HN 0.561 nan 8.230 nan 0.000 0.424 957 N N 2.987 121.719 118.700 0.053 0.000 2.571 957 N HA 0.301 5.041 4.740 -0.000 0.000 0.286 957 N C -0.856 174.737 175.510 0.139 0.000 1.138 957 N CA -0.627 52.463 53.050 0.067 0.000 0.859 957 N CB 1.064 39.581 38.487 0.049 0.000 1.414 957 N HN 0.541 nan 8.380 nan 0.000 0.529 958 R N 0.445 121.074 120.500 0.215 0.000 3.333 958 R HA -0.134 4.206 4.340 -0.000 0.000 0.256 958 R C -0.765 175.839 176.300 0.507 0.000 1.010 958 R CA 0.922 57.292 56.100 0.451 0.000 0.680 958 R CB -2.471 28.068 30.300 0.398 0.000 1.102 958 R HN 0.497 nan 8.270 nan 0.000 0.440 959 T N 0.623 115.323 114.554 0.244 0.000 2.887 959 T HA 0.653 5.003 4.350 -0.000 0.000 0.288 959 T C -0.131 174.295 174.700 -0.457 0.000 1.021 959 T CA -0.643 61.410 62.100 -0.079 0.000 1.000 959 T CB 2.307 71.156 68.868 -0.033 0.000 1.034 959 T HN 0.276 nan 8.240 nan 0.000 0.467 960 I N 2.920 123.104 120.570 -0.644 0.000 2.406 960 I HA 0.597 4.767 4.170 -0.000 0.000 0.290 960 I C -1.254 174.601 176.117 -0.437 0.000 0.999 960 I CA -0.853 60.034 61.300 -0.689 0.000 1.124 960 I CB 0.999 38.465 38.000 -0.889 0.000 1.289 960 I HN 0.309 nan 8.210 nan 0.000 0.441 961 V N 6.747 126.334 119.914 -0.544 0.000 2.384 961 V HA 0.670 4.790 4.120 -0.000 0.000 0.287 961 V C 0.406 175.986 176.094 -0.858 0.000 1.020 961 V CA -0.447 61.477 62.300 -0.626 0.000 0.850 961 V CB 1.325 32.772 31.823 -0.626 0.000 0.987 961 V HN 0.867 nan 8.190 nan 0.000 0.436 962 G N 3.599 111.608 108.800 -1.318 0.000 2.544 962 G HA2 0.676 4.636 3.960 -0.000 0.000 0.313 962 G HA3 0.676 4.636 3.960 -0.000 0.000 0.313 962 G C -1.110 173.022 174.900 -1.280 0.000 1.316 962 G CA -0.419 43.524 45.100 -1.928 0.000 0.944 962 G HN 0.352 nan 8.290 nan 0.000 0.489 963 F N 1.190 120.678 119.950 -0.771 0.000 2.399 963 F HA 0.423 4.950 4.527 -0.000 0.000 0.342 963 F C 1.273 176.866 175.800 -0.344 0.000 1.106 963 F CA -0.769 56.941 58.000 -0.484 0.000 1.196 963 F CB 1.644 40.465 39.000 -0.297 0.000 1.163 963 F HN 0.531 nan 8.300 nan 0.000 0.547 964 N N 0.228 118.877 118.700 -0.085 0.000 2.228 964 N HA 0.093 4.833 4.740 -0.000 0.000 0.237 964 N C 0.378 175.857 175.510 -0.052 0.000 1.382 964 N CA 0.030 53.046 53.050 -0.057 0.000 0.787 964 N CB 0.262 38.706 38.487 -0.071 0.000 1.320 964 N HN 0.821 nan 8.380 nan 0.000 0.507 965 G N 0.033 108.815 108.800 -0.030 0.000 2.803 965 G HA2 0.409 4.369 3.960 -0.000 0.000 0.177 965 G HA3 0.409 4.369 3.960 -0.000 0.000 0.177 965 G C 0.442 175.307 174.900 -0.058 0.000 1.629 965 G CA 0.211 45.290 45.100 -0.035 0.000 1.077 965 G HN 0.141 nan 8.290 nan 0.000 0.556 966 G N -2.119 106.630 108.800 -0.084 0.000 2.562 966 G HA2 0.403 4.363 3.960 -0.000 0.000 0.275 966 G HA3 0.403 4.363 3.960 -0.000 0.000 0.275 966 G C 0.895 175.595 174.900 -0.333 0.000 1.196 966 G CA 0.752 45.755 45.100 -0.161 0.000 0.908 966 G HN 0.937 nan 8.290 nan 0.000 0.524 967 T N -3.496 110.765 114.554 -0.488 0.000 2.959 967 T HA 0.038 4.388 4.350 -0.000 0.000 0.254 967 T C 2.278 176.531 174.700 -0.746 0.000 1.003 967 T CA 0.980 62.435 62.100 -1.075 0.000 0.950 967 T CB -0.148 68.246 68.868 -0.789 0.000 1.090 967 T HN 0.472 nan 8.240 nan 0.000 0.503 968 S N 3.068 118.543 115.700 -0.376 0.000 2.365 968 S HA 0.029 4.499 4.470 -0.000 0.000 0.225 968 S C -0.999 173.499 174.600 -0.171 0.000 1.039 968 S CA 0.615 58.688 58.200 -0.212 0.000 1.033 968 S CB -1.713 61.405 63.200 -0.135 0.000 0.887 968 S HN 0.692 nan 8.310 nan 0.000 0.447 969 P HA 0.599 nan 4.420 nan 0.000 0.305 969 P C -0.775 176.414 177.300 -0.186 0.000 1.390 969 P CA -0.996 62.030 63.100 -0.122 0.000 1.054 969 P CB 1.037 32.715 31.700 -0.037 0.000 1.335 970 F N -0.149 119.761 119.950 -0.067 0.000 2.331 970 F HA 0.255 4.782 4.527 -0.000 0.000 0.293 970 F C 1.554 177.306 175.800 -0.079 0.000 1.277 970 F CA 0.652 58.596 58.000 -0.093 0.000 1.204 970 F CB 0.126 39.036 39.000 -0.149 0.000 1.374 970 F HN 0.124 nan 8.300 nan 0.000 0.520 971 T N 0.086 114.736 114.554 0.160 0.000 2.867 971 T HA 0.445 4.795 4.350 -0.000 0.000 0.282 971 T C -0.514 174.250 174.700 0.108 0.000 1.000 971 T CA -0.632 61.548 62.100 0.133 0.000 1.042 971 T CB 1.101 70.122 68.868 0.254 0.000 0.973 971 T HN 0.415 nan 8.240 nan 0.000 0.465 972 T N 3.030 117.663 114.554 0.131 0.000 2.829 972 T HA 0.554 4.904 4.350 -0.000 0.000 0.280 972 T C -0.934 173.877 174.700 0.186 0.000 0.999 972 T CA -0.647 61.533 62.100 0.134 0.000 0.983 972 T CB 1.297 70.198 68.868 0.055 0.000 0.968 972 T HN 0.333 nan 8.240 nan 0.000 0.446 973 L N 3.458 124.826 121.223 0.241 0.000 2.294 973 L HA 0.578 4.918 4.340 -0.000 0.000 0.283 973 L C -0.474 176.458 176.870 0.103 0.000 1.015 973 L CA 0.057 54.981 54.840 0.141 0.000 0.831 973 L CB 1.038 43.151 42.059 0.090 0.000 1.217 973 L HN 0.651 nan 8.230 nan 0.000 0.420 974 T N 3.105 117.715 114.554 0.092 0.000 2.779 974 T HA 0.696 5.046 4.350 -0.000 0.000 0.280 974 T C -0.098 174.652 174.700 0.084 0.000 0.987 974 T CA -0.461 61.681 62.100 0.069 0.000 0.966 974 T CB 1.206 70.108 68.868 0.057 0.000 0.933 974 T HN 0.737 nan 8.240 nan 0.000 0.442 975 T N -0.449 114.150 114.554 0.075 0.000 2.916 975 T HA 0.519 4.869 4.350 -0.000 0.000 0.292 975 T C 0.139 174.878 174.700 0.064 0.000 1.064 975 T CA -0.811 61.338 62.100 0.081 0.000 1.011 975 T CB 2.055 70.984 68.868 0.101 0.000 1.152 975 T HN 0.200 nan 8.240 nan 0.000 0.510 976 D N 0.728 121.164 120.400 0.060 0.000 2.144 976 D HA 0.150 4.790 4.640 -0.000 0.000 0.207 976 D C -0.041 176.294 176.300 0.058 0.000 0.970 976 D CA 0.983 55.015 54.000 0.053 0.000 0.853 976 D CB 0.047 40.873 40.800 0.044 0.000 1.007 976 D HN 0.650 nan 8.370 nan 0.000 0.469 977 N N -0.343 118.393 118.700 0.061 0.000 2.346 977 N HA 0.464 5.204 4.740 -0.000 0.000 0.289 977 N C -1.653 173.904 175.510 0.078 0.000 1.027 977 N CA -0.570 52.518 53.050 0.064 0.000 0.864 977 N CB 2.556 41.074 38.487 0.052 0.000 1.370 977 N HN -0.082 nan 8.380 nan 0.000 0.481 978 L N 1.983 123.261 121.223 0.092 0.000 2.343 978 L HA 0.449 4.789 4.340 -0.000 0.000 0.278 978 L C -1.123 175.806 176.870 0.097 0.000 0.996 978 L CA -0.478 54.431 54.840 0.115 0.000 0.831 978 L CB 1.241 43.396 42.059 0.159 0.000 1.232 978 L HN 0.534 nan 8.230 nan 0.000 0.413 979 D N 4.944 125.393 120.400 0.082 0.000 2.317 979 D HA 0.585 5.225 4.640 -0.000 0.000 0.234 979 D C -1.267 175.072 176.300 0.065 0.000 1.112 979 D CA -0.114 53.922 54.000 0.060 0.000 0.840 979 D CB 1.836 42.663 40.800 0.046 0.000 1.078 979 D HN 0.733 nan 8.370 nan 0.000 0.486 980 A N 3.750 126.593 122.820 0.039 0.000 2.359 980 A HA 0.581 4.901 4.320 -0.000 0.000 0.303 980 A C -1.204 176.342 177.584 -0.064 0.000 1.066 980 A CA -0.621 51.443 52.037 0.046 0.000 0.730 980 A CB 1.694 20.799 19.000 0.175 0.000 1.211 980 A HN 0.358 nan 8.150 nan 0.000 0.439 981 V N 2.628 122.494 119.914 -0.080 0.000 2.623 981 V HA 0.335 4.455 4.120 -0.000 0.000 0.304 981 V C -0.028 175.990 176.094 -0.126 0.000 1.054 981 V CA -0.489 61.668 62.300 -0.239 0.000 0.882 981 V CB 1.456 33.119 31.823 -0.267 0.000 1.002 981 V HN 1.075 nan 8.190 nan 0.000 0.424 982 Q N 1.691 121.385 119.800 -0.177 0.000 2.423 982 Q HA -0.184 4.156 4.340 -0.000 0.000 0.332 982 Q C 0.182 176.249 176.000 0.112 0.000 1.355 982 Q CA 0.802 56.566 55.803 -0.065 0.000 0.947 982 Q CB -0.890 27.798 28.738 -0.082 0.000 1.189 982 Q HN 0.754 nan 8.270 nan 0.000 0.418 983 S N -0.939 114.855 115.700 0.157 0.000 2.677 983 S HA 0.925 5.395 4.470 -0.000 0.000 0.304 983 S C -0.549 174.212 174.600 0.268 0.000 1.108 983 S CA -0.356 58.005 58.200 0.268 0.000 0.944 983 S CB 2.198 65.431 63.200 0.055 0.000 1.127 983 S HN 0.474 nan 8.310 nan 0.000 0.511 984 A N 0.848 123.720 122.820 0.087 0.000 2.498 984 A HA 0.874 5.194 4.320 -0.000 0.000 0.298 984 A C -1.879 175.441 177.584 -0.441 0.000 1.075 984 A CA -0.632 51.462 52.037 0.094 0.000 0.714 984 A CB 0.806 20.048 19.000 0.403 0.000 1.299 984 A HN 0.553 nan 8.150 nan 0.000 0.407 985 F N 0.398 120.441 119.950 0.155 0.000 2.520 985 F HA 0.575 5.102 4.527 -0.000 0.000 0.322 985 F C -0.091 175.765 175.800 0.093 0.000 1.103 985 F CA -0.899 57.141 58.000 0.066 0.000 0.926 985 F CB 2.414 41.486 39.000 0.119 0.000 1.154 985 F HN 0.204 nan 8.300 nan 0.000 0.453 986 V N 5.361 125.350 119.914 0.124 0.000 2.284 986 V HA 0.356 4.476 4.120 -0.000 0.000 0.274 986 V C -0.074 176.056 176.094 0.061 0.000 1.023 986 V CA -0.602 61.739 62.300 0.067 0.000 0.808 986 V CB 0.731 32.474 31.823 -0.132 0.000 1.035 986 V HN 0.666 nan 8.190 nan 0.000 0.445 987 M N 3.352 122.937 119.600 -0.024 0.000 2.367 987 M HA 0.678 5.158 4.480 -0.000 0.000 0.339 987 M C -0.415 175.722 176.300 -0.272 0.000 1.177 987 M CA -0.581 54.557 55.300 -0.269 0.000 1.068 987 M CB 0.918 33.134 32.600 -0.639 0.000 1.602 987 M HN 0.364 nan 8.290 nan 0.000 0.457 988 R N 0.524 120.856 120.500 -0.280 0.000 2.404 988 R HA 0.681 5.021 4.340 -0.000 0.000 0.291 988 R C -0.037 175.991 176.300 -0.453 0.000 1.025 988 R CA -0.463 55.518 56.100 -0.199 0.000 0.991 988 R CB 1.427 31.767 30.300 0.067 0.000 1.053 988 R HN 0.848 nan 8.270 nan 0.000 0.479 989 T N -0.184 114.166 114.554 -0.341 0.000 2.906 989 T HA 0.204 4.554 4.350 -0.000 0.000 0.295 989 T C -0.864 173.812 174.700 -0.041 0.000 1.075 989 T CA -0.820 61.048 62.100 -0.386 0.000 1.005 989 T CB 1.271 69.915 68.868 -0.373 0.000 1.136 989 T HN 0.744 nan 8.240 nan 0.000 0.498 990 D N 3.148 123.567 120.400 0.031 0.000 2.623 990 D HA 0.203 4.843 4.640 -0.000 0.000 0.252 990 D C 1.162 177.514 176.300 0.086 0.000 1.294 990 D CA -0.402 53.681 54.000 0.139 0.000 0.824 990 D CB -0.086 40.856 40.800 0.237 0.000 1.070 990 D HN 0.337 nan 8.370 nan 0.000 0.487 991 L N -0.298 120.957 121.223 0.054 0.000 5.121 991 L HA -0.332 4.008 4.340 -0.000 0.000 0.402 991 L C 1.363 178.253 176.870 0.033 0.000 0.826 991 L CA 1.669 56.547 54.840 0.063 0.000 2.021 991 L CB -2.203 39.903 42.059 0.078 0.000 1.272 991 L HN 0.400 nan 8.230 nan 0.000 0.617 992 N N -0.539 118.182 118.700 0.035 0.000 2.305 992 N HA 0.036 4.776 4.740 -0.000 0.000 0.179 992 N C 0.585 176.095 175.510 0.001 0.000 1.019 992 N CA 1.569 54.637 53.050 0.030 0.000 0.869 992 N CB 0.378 38.898 38.487 0.055 0.000 1.000 992 N HN 0.534 nan 8.380 nan 0.000 0.431 993 K N -1.597 118.791 120.400 -0.020 0.000 2.469 993 K HA 0.780 5.100 4.320 -0.000 0.000 0.268 993 K C -1.633 174.650 176.600 -0.528 0.000 1.027 993 K CA -0.946 55.270 56.287 -0.118 0.000 0.893 993 K CB 2.332 34.887 32.500 0.092 0.000 1.460 993 K HN 0.074 nan 8.250 nan 0.000 0.449 994 A N 0.299 122.682 122.820 -0.729 0.000 2.568 994 A HA 0.484 4.804 4.320 -0.000 0.000 0.291 994 A C -1.567 175.471 177.584 -0.910 0.000 1.159 994 A CA -0.818 50.505 52.037 -1.190 0.000 0.679 994 A CB 0.777 19.353 19.000 -0.706 0.000 1.285 994 A HN 0.650 nan 8.150 nan 0.000 0.428 995 D N 0.464 120.351 120.400 -0.856 0.000 2.361 995 D HA 0.369 5.009 4.640 -0.000 0.000 0.239 995 D C -0.402 175.445 176.300 -0.756 0.000 1.200 995 D CA 0.508 54.051 54.000 -0.763 0.000 0.915 995 D CB 0.798 40.810 40.800 -1.313 0.000 1.170 995 D HN 0.443 nan 8.370 nan 0.000 0.444 996 K N 0.628 120.616 120.400 -0.686 0.000 2.535 996 K HA 0.295 4.615 4.320 -0.000 0.000 0.251 996 K C -1.618 174.840 176.600 -0.236 0.000 0.942 996 K CA -0.781 55.268 56.287 -0.397 0.000 0.798 996 K CB 1.558 33.925 32.500 -0.222 0.000 1.267 996 K HN 0.133 nan 8.250 nan 0.000 0.434 997 L N 5.103 126.182 121.223 -0.241 0.000 2.264 997 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 997 L C -1.384 175.375 176.870 -0.185 0.000 1.044 997 L CA -0.233 54.490 54.840 -0.195 0.000 0.807 997 L CB 1.407 43.170 42.059 -0.492 0.000 1.192 997 L HN 0.335 nan 8.230 nan 0.000 0.425 998 V N 7.238 127.102 119.914 -0.083 0.000 2.357 998 V HA 0.428 4.548 4.120 -0.000 0.000 0.284 998 V C 0.111 176.194 176.094 -0.019 0.000 1.018 998 V CA -0.404 61.867 62.300 -0.048 0.000 0.841 998 V CB 1.275 33.091 31.823 -0.013 0.000 0.991 998 V HN 0.588 nan 8.190 nan 0.000 0.437 999 I N 4.792 125.355 120.570 -0.012 0.000 2.328 999 I HA 0.407 4.577 4.170 -0.000 0.000 0.287 999 I C 0.873 177.020 176.117 0.051 0.000 1.012 999 I CA -0.356 60.963 61.300 0.032 0.000 1.195 999 I CB 1.292 39.322 38.000 0.051 0.000 1.350 999 I HN 0.496 nan 8.210 nan 0.000 0.464 1000 N N 4.502 123.231 118.700 0.049 0.000 2.333 1000 N HA -0.013 4.727 4.740 -0.000 0.000 0.178 1000 N C 1.238 176.778 175.510 0.050 0.000 1.018 1000 N CA 1.013 54.091 53.050 0.046 0.000 0.882 1000 N CB 0.329 38.840 38.487 0.039 0.000 0.984 1000 N HN 0.529 nan 8.380 nan 0.000 0.434 1001 K N -0.211 120.222 120.400 0.055 0.000 2.443 1001 K HA 0.193 4.513 4.320 -0.000 0.000 0.200 1001 K C 0.376 177.011 176.600 0.059 0.000 1.278 1001 K CA 0.318 56.636 56.287 0.051 0.000 0.925 1001 K CB 0.978 33.504 32.500 0.043 0.000 1.225 1001 K HN 0.153 nan 8.250 nan 0.000 0.514 1002 S N -0.187 115.554 115.700 0.067 0.000 2.542 1002 S HA 0.725 5.195 4.470 -0.000 0.000 0.276 1002 S C -1.710 172.941 174.600 0.086 0.000 1.148 1002 S CA -0.731 57.513 58.200 0.074 0.000 0.886 1002 S CB 2.022 65.258 63.200 0.060 0.000 1.109 1002 S HN 0.159 nan 8.310 nan 0.000 0.458 1003 A N 2.062 124.940 122.820 0.097 0.000 2.381 1003 A HA 0.957 5.277 4.320 -0.000 0.000 0.299 1003 A C -0.038 177.586 177.584 0.067 0.000 1.049 1003 A CA -0.319 51.778 52.037 0.101 0.000 0.715 1003 A CB 1.360 20.454 19.000 0.156 0.000 1.222 1003 A HN 1.881 nan 8.150 nan 0.000 0.428 1004 T N -1.005 113.573 114.554 0.040 0.000 2.812 1004 T HA 0.972 5.322 4.350 -0.000 0.000 0.294 1004 T C 0.381 175.084 174.700 0.005 0.000 1.159 1004 T CA -0.002 62.116 62.100 0.030 0.000 1.008 1004 T CB 1.261 70.156 68.868 0.045 0.000 1.289 1004 T HN 2.622 nan 8.240 nan 0.000 0.514 1005 G N 0.493 109.314 108.800 0.035 0.000 2.378 1005 G HA2 0.410 4.370 3.960 -0.000 0.000 0.198 1005 G HA3 0.410 4.370 3.960 -0.000 0.000 0.198 1005 G C -0.801 174.162 174.900 0.106 0.000 1.223 1005 G CA 0.613 45.734 45.100 0.035 0.000 1.088 1005 G HN 2.580 nan 8.290 nan 0.000 0.530 1006 H N -2.318 116.707 119.070 -0.075 0.000 2.988 1006 H HA 0.528 5.084 4.556 -0.000 0.000 0.284 1006 H C -0.597 174.694 175.328 -0.061 0.000 1.284 1006 H CA -0.024 55.980 56.048 -0.073 0.000 1.431 1006 H CB 0.736 30.478 29.762 -0.034 0.000 1.954 1006 H HN 0.890 nan 8.280 nan 0.000 0.509 1007 D N 1.222 121.630 120.400 0.012 0.000 2.718 1007 D HA -0.164 4.476 4.640 -0.000 0.000 0.242 1007 D C -0.878 175.403 176.300 -0.031 0.000 1.123 1007 D CA 0.745 54.749 54.000 0.007 0.000 0.690 1007 D CB -0.898 39.943 40.800 0.067 0.000 1.059 1007 D HN 0.639 nan 8.370 nan 0.000 0.429 1008 N N 0.101 118.776 118.700 -0.043 0.000 2.430 1008 N HA 0.467 5.207 4.740 -0.000 0.000 0.298 1008 N C -0.341 175.295 175.510 0.210 0.000 1.130 1008 N CA -0.326 52.775 53.050 0.085 0.000 0.894 1008 N CB 1.754 40.278 38.487 0.061 0.000 1.209 1008 N HN -0.098 nan 8.380 nan 0.000 0.503 1009 S N 0.892 116.807 115.700 0.358 0.000 2.521 1009 S HA 0.531 5.001 4.470 -0.000 0.000 0.295 1009 S C -0.326 174.574 174.600 0.499 0.000 1.098 1009 S CA -0.589 57.831 58.200 0.367 0.000 0.999 1009 S CB 1.185 64.599 63.200 0.357 0.000 1.034 1009 S HN 0.317 nan 8.310 nan 0.000 0.483 1010 I N 2.660 123.438 120.570 0.347 0.000 2.312 1010 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 1010 I C -0.917 175.363 176.117 0.273 0.000 1.008 1010 I CA -0.204 61.288 61.300 0.320 0.000 1.226 1010 I CB 0.430 38.505 38.000 0.124 0.000 1.371 1010 I HN 0.569 nan 8.210 nan 0.000 0.468 1011 W N 5.697 127.049 121.300 0.087 0.000 2.449 1011 W HA 0.689 5.349 4.660 -0.000 0.000 0.331 1011 W C -0.625 175.858 176.519 -0.059 0.000 1.119 1011 W CA -0.714 56.660 57.345 0.048 0.000 1.240 1011 W CB 1.224 30.735 29.460 0.085 0.000 1.251 1011 W HN 0.031 nan 8.180 nan 0.000 0.576 1012 V N 3.602 123.549 119.914 0.055 0.000 2.483 1012 V HA 0.209 4.329 4.120 -0.000 0.000 0.297 1012 V C -0.432 175.512 176.094 -0.250 0.000 1.027 1012 V CA -1.151 60.989 62.300 -0.267 0.000 0.855 1012 V CB 1.478 32.894 31.823 -0.678 0.000 0.995 1012 V HN 0.440 nan 8.190 nan 0.000 0.424 1013 N N 4.475 123.060 118.700 -0.192 0.000 2.469 1013 N HA 0.318 5.058 4.740 -0.000 0.000 0.239 1013 N C -0.861 174.551 175.510 -0.164 0.000 1.053 1013 N CA -0.405 52.594 53.050 -0.085 0.000 0.937 1013 N CB 0.188 38.663 38.487 -0.021 0.000 1.163 1013 N HN 0.423 nan 8.380 nan 0.000 0.509 1014 F N 3.443 123.380 119.950 -0.021 0.000 2.494 1014 F HA 0.155 4.682 4.527 -0.000 0.000 0.369 1014 F C 1.529 177.316 175.800 -0.021 0.000 1.098 1014 F CA -0.365 57.615 58.000 -0.034 0.000 1.154 1014 F CB 0.652 39.621 39.000 -0.052 0.000 1.103 1014 F HN 0.368 nan 8.300 nan 0.000 0.549 1015 L N 2.900 124.210 121.223 0.146 0.000 2.591 1015 L HA 0.157 4.497 4.340 -0.000 0.000 0.228 1015 L C 0.510 177.463 176.870 0.138 0.000 1.133 1015 L CA 0.564 55.477 54.840 0.121 0.000 0.880 1015 L CB -0.300 41.832 42.059 0.122 0.000 1.033 1015 L HN 0.458 nan 8.230 nan 0.000 0.450 1016 K N 0.556 121.042 120.400 0.143 0.000 2.513 1016 K HA 0.241 4.561 4.320 -0.000 0.000 0.251 1016 K C -0.767 175.864 176.600 0.052 0.000 0.939 1016 K CA -0.792 55.553 56.287 0.096 0.000 0.793 1016 K CB 2.543 35.089 32.500 0.077 0.000 1.241 1016 K HN -0.248 nan 8.250 nan 0.000 0.431 1017 K N 4.777 125.172 120.400 -0.009 0.000 2.395 1017 K HA 0.081 4.401 4.320 -0.000 0.000 0.283 1017 K C -2.041 174.421 176.600 -0.230 0.000 1.068 1017 K CA -1.009 55.195 56.287 -0.138 0.000 1.039 1017 K CB 0.345 32.790 32.500 -0.091 0.000 0.924 1017 K HN 0.219 nan 8.250 nan 0.000 0.468 1018 P HA 0.008 nan 4.420 nan 0.000 0.271 1018 P C -1.074 175.967 177.300 -0.431 0.000 1.218 1018 P CA -0.406 62.430 63.100 -0.439 0.000 0.780 1018 P CB 1.357 32.631 31.700 -0.711 0.000 0.901 1019 S N 0.836 116.462 115.700 -0.123 0.000 2.503 1019 S HA 0.247 4.717 4.470 -0.000 0.000 0.301 1019 S C 1.033 175.744 174.600 0.185 0.000 1.087 1019 S CA -0.683 57.529 58.200 0.020 0.000 1.042 1019 S CB 0.881 64.087 63.200 0.009 0.000 1.043 1019 S HN 0.453 nan 8.310 nan 0.000 0.489 1020 N N 1.971 120.823 118.700 0.253 0.000 2.519 1020 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 1020 N C 0.246 175.799 175.510 0.072 0.000 1.062 1020 N CA 0.718 53.856 53.050 0.147 0.000 0.910 1020 N CB -0.241 38.279 38.487 0.054 0.000 0.958 1020 N HN 0.515 nan 8.380 nan 0.000 0.445 1021 K N 1.232 121.669 120.400 0.062 0.000 2.518 1021 K HA 0.173 4.493 4.320 -0.000 0.000 0.244 1021 K C -1.011 175.612 176.600 0.039 0.000 1.232 1021 K CA -0.036 56.274 56.287 0.038 0.000 1.189 1021 K CB -0.701 31.816 32.500 0.028 0.000 1.737 1021 K HN 0.244 nan 8.250 nan 0.000 0.333 1022 D N -0.585 119.842 120.400 0.046 0.000 3.085 1022 D HA -0.067 4.573 4.640 -0.000 0.000 0.268 1022 D C -1.261 175.078 176.300 0.064 0.000 0.961 1022 D CA -0.072 53.957 54.000 0.048 0.000 0.800 1022 D CB 0.643 41.472 40.800 0.048 0.000 2.858 1022 D HN 0.324 nan 8.370 nan 0.000 0.491 1023 T N -0.272 114.315 114.554 0.054 0.000 2.916 1023 T HA 0.822 5.172 4.350 -0.000 0.000 0.292 1023 T C -0.530 174.208 174.700 0.063 0.000 1.064 1023 T CA -0.803 61.331 62.100 0.057 0.000 1.011 1023 T CB 1.245 70.132 68.868 0.031 0.000 1.152 1023 T HN 0.285 nan 8.240 nan 0.000 0.510 1024 L N 1.423 122.688 121.223 0.069 0.000 2.333 1024 L HA 0.597 4.937 4.340 -0.000 0.000 0.280 1024 L C -0.882 176.012 176.870 0.040 0.000 1.004 1024 L CA -0.593 54.291 54.840 0.073 0.000 0.820 1024 L CB 1.728 43.866 42.059 0.131 0.000 1.247 1024 L HN 0.816 nan 8.230 nan 0.000 0.416 1025 D N 4.151 124.563 120.400 0.020 0.000 2.621 1025 D HA 0.384 5.024 4.640 -0.000 0.000 0.274 1025 D C -0.992 175.297 176.300 -0.019 0.000 1.215 1025 D CA -0.065 53.935 54.000 -0.000 0.000 0.810 1025 D CB 0.512 41.309 40.800 -0.004 0.000 1.248 1025 D HN 0.216 nan 8.370 nan 0.000 0.517 1026 I N 1.847 122.399 120.570 -0.031 0.000 2.410 1026 I HA 0.387 4.558 4.170 -0.000 0.000 0.286 1026 I C -2.292 173.782 176.117 -0.073 0.000 1.009 1026 I CA -2.319 58.940 61.300 -0.067 0.000 1.111 1026 I CB 1.928 39.863 38.000 -0.108 0.000 1.262 1026 I HN -0.037 nan 8.210 nan 0.000 0.443 1027 P HA 0.209 nan 4.420 nan 0.000 0.271 1027 P C 0.216 177.452 177.300 -0.107 0.000 1.226 1027 P CA 0.007 63.069 63.100 -0.062 0.000 0.765 1027 P CB 1.019 32.689 31.700 -0.051 0.000 0.835 1028 L N 2.424 123.587 121.223 -0.101 0.000 2.445 1028 L HA 0.205 4.545 4.340 -0.000 0.000 0.207 1028 L C 0.444 177.165 176.870 -0.249 0.000 1.053 1028 L CA 0.387 55.109 54.840 -0.196 0.000 0.841 1028 L CB 0.249 42.190 42.059 -0.197 0.000 1.074 1028 L HN 0.099 nan 8.230 nan 0.000 0.479 1029 V N -0.022 119.777 119.914 -0.192 0.000 2.656 1029 V HA 0.484 4.604 4.120 -0.000 0.000 0.307 1029 V C -0.422 175.674 176.094 0.002 0.000 1.051 1029 V CA -0.608 61.504 62.300 -0.314 0.000 0.893 1029 V CB 1.832 33.157 31.823 -0.831 0.000 0.999 1029 V HN 0.282 nan 8.190 nan 0.000 0.426 1030 S N 2.809 118.495 115.700 -0.022 0.000 2.526 1030 S HA 0.991 5.461 4.470 -0.000 0.000 0.293 1030 S C -0.619 174.048 174.600 0.111 0.000 1.092 1030 S CA -0.112 58.148 58.200 0.101 0.000 0.980 1030 S CB 2.271 65.491 63.200 0.033 0.000 1.048 1030 S HN 1.686 nan 8.310 nan 0.000 0.483 1031 A N 1.987 124.933 122.820 0.209 0.000 2.599 1031 A HA 0.915 5.236 4.320 -0.000 0.000 0.290 1031 A C -3.312 174.376 177.584 0.174 0.000 1.101 1031 A CA -1.782 50.381 52.037 0.210 0.000 0.674 1031 A CB 0.371 19.582 19.000 0.351 0.000 1.277 1031 A HN 0.604 nan 8.150 nan 0.000 0.419 1032 P HA 0.041 nan 4.420 nan 0.000 0.267 1032 P C 0.367 177.734 177.300 0.111 0.000 1.195 1032 P CA 0.399 63.562 63.100 0.106 0.000 0.773 1032 P CB 0.415 32.173 31.700 0.097 0.000 0.837 1033 E N 1.479 121.719 120.200 0.067 0.000 2.268 1033 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 1033 E C 1.535 178.166 176.600 0.051 0.000 0.995 1033 E CA 1.084 57.509 56.400 0.042 0.000 0.836 1033 E CB -0.197 29.512 29.700 0.015 0.000 0.763 1033 E HN 0.457 nan 8.360 nan 0.000 0.491 1034 A N 1.205 124.064 122.820 0.066 0.000 2.208 1034 A HA 0.021 4.341 4.320 -0.000 0.000 0.209 1034 A C 1.030 178.670 177.584 0.094 0.000 1.161 1034 A CA 0.099 52.174 52.037 0.064 0.000 0.782 1034 A CB -0.123 18.909 19.000 0.054 0.000 0.816 1034 A HN 0.033 nan 8.150 nan 0.000 0.477 1035 T N 2.000 116.642 114.554 0.147 0.000 2.928 1035 T HA 0.411 4.761 4.350 -0.000 0.000 0.305 1035 T C 0.743 175.574 174.700 0.219 0.000 1.035 1035 T CA 0.178 62.403 62.100 0.209 0.000 1.145 1035 T CB 0.799 69.875 68.868 0.347 0.000 0.963 1035 T HN 0.594 nan 8.240 nan 0.000 0.545 1036 A N 2.769 125.700 122.820 0.184 0.000 2.586 1036 A HA 0.049 4.369 4.320 -0.000 0.000 0.231 1036 A C 1.381 179.161 177.584 0.326 0.000 1.055 1036 A CA -0.365 51.781 52.037 0.181 0.000 0.756 1036 A CB 0.071 19.145 19.000 0.123 0.000 0.988 1036 A HN 0.885 nan 8.150 nan 0.000 0.509 1037 D N 0.694 121.242 120.400 0.246 0.000 2.123 1037 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 1037 D C 1.358 177.960 176.300 0.504 0.000 0.976 1037 D CA 1.882 56.058 54.000 0.294 0.000 0.831 1037 D CB -0.146 40.715 40.800 0.102 0.000 0.974 1037 D HN 0.789 nan 8.370 nan 0.000 0.469 1038 N N 0.832 119.709 118.700 0.295 0.000 2.383 1038 N HA -0.052 4.688 4.740 -0.000 0.000 0.192 1038 N C 1.598 177.179 175.510 0.118 0.000 1.141 1038 N CA -0.037 53.152 53.050 0.230 0.000 0.851 1038 N CB -0.414 38.154 38.487 0.135 0.000 0.976 1038 N HN 0.089 nan 8.380 nan 0.000 0.465 1039 L N -0.541 120.719 121.223 0.061 0.000 2.187 1039 L HA 0.158 4.498 4.340 -0.000 0.000 0.213 1039 L C -0.424 176.041 176.870 -0.675 0.000 1.100 1039 L CA 1.334 56.007 54.840 -0.279 0.000 0.765 1039 L CB -0.262 41.581 42.059 -0.360 0.000 0.904 1039 L HN 0.068 nan 8.230 nan 0.000 0.437 1040 F N -0.054 119.805 119.950 -0.152 0.000 2.507 1040 F HA 0.508 5.035 4.527 -0.000 0.000 0.325 1040 F C 0.300 176.106 175.800 0.011 0.000 1.116 1040 F CA -0.887 56.955 58.000 -0.263 0.000 0.930 1040 F CB 1.123 39.561 39.000 -0.936 0.000 1.146 1040 F HN -0.115 nan 8.300 nan 0.000 0.447 1041 R N 1.756 122.381 120.500 0.208 0.000 2.837 1041 R HA 0.924 5.264 4.340 -0.000 0.000 0.271 1041 R C -1.227 175.163 176.300 0.150 0.000 0.993 1041 R CA -1.242 54.972 56.100 0.189 0.000 0.931 1041 R CB 1.568 31.945 30.300 0.128 0.000 1.206 1041 R HN 0.643 nan 8.270 nan 0.000 0.474 1042 A N 1.658 124.548 122.820 0.116 0.000 2.462 1042 A HA 0.200 4.520 4.320 -0.000 0.000 0.243 1042 A C 0.322 177.888 177.584 -0.030 0.000 1.076 1042 A CA -0.081 51.990 52.037 0.057 0.000 0.773 1042 A CB 0.462 19.496 19.000 0.056 0.000 1.010 1042 A HN 0.736 nan 8.150 nan 0.000 0.493 1043 S N 0.988 116.600 115.700 -0.146 0.000 2.558 1043 S HA 0.053 4.523 4.470 -0.000 0.000 0.291 1043 S C 1.344 175.749 174.600 -0.324 0.000 1.306 1043 S CA 0.536 58.473 58.200 -0.438 0.000 1.056 1043 S CB 0.292 62.838 63.200 -1.090 0.000 0.836 1043 S HN 0.738 nan 8.310 nan 0.000 0.504 1044 T N 5.012 119.372 114.554 -0.324 0.000 3.088 1044 T HA 0.168 4.518 4.350 -0.000 0.000 0.259 1044 T C 0.702 175.260 174.700 -0.238 0.000 1.122 1044 T CA 0.671 62.650 62.100 -0.203 0.000 1.095 1044 T CB -0.004 68.786 68.868 -0.130 0.000 0.930 1044 T HN 0.517 nan 8.240 nan 0.000 0.508 1045 R N -0.205 120.018 120.500 -0.461 0.000 2.919 1045 R HA 0.671 5.011 4.340 -0.000 0.000 0.260 1045 R C -1.226 174.885 176.300 -0.315 0.000 1.067 1045 R CA -0.826 55.061 56.100 -0.355 0.000 1.003 1045 R CB 1.853 31.980 30.300 -0.289 0.000 1.192 1045 R HN -0.053 nan 8.270 nan 0.000 0.488 1046 V N 1.459 121.359 119.914 -0.024 0.000 2.539 1046 V HA 0.387 4.507 4.120 -0.000 0.000 0.292 1046 V C -0.434 175.854 176.094 0.323 0.000 1.045 1046 V CA -0.601 61.775 62.300 0.126 0.000 0.945 1046 V CB 1.675 33.578 31.823 0.134 0.000 0.993 1046 V HN 0.440 nan 8.190 nan 0.000 0.464 1047 V N 4.497 124.630 119.914 0.366 0.000 2.604 1047 V HA 0.994 5.114 4.120 -0.000 0.000 0.305 1047 V C 0.262 176.444 176.094 0.147 0.000 1.043 1047 V CA 0.810 63.304 62.300 0.323 0.000 0.888 1047 V CB 0.935 33.007 31.823 0.414 0.000 0.995 1047 V HN 1.554 nan 8.190 nan 0.000 0.429 1048 G N 5.375 114.177 108.800 0.004 0.000 2.500 1048 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.209 1048 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.209 1048 G C -0.173 174.645 174.900 -0.137 0.000 1.283 1048 G CA 0.178 45.124 45.100 -0.256 0.000 0.960 1048 G HN 0.941 nan 8.290 nan 0.000 0.528 1049 F N 1.295 121.308 119.950 0.104 0.000 2.727 1049 F HA 0.211 4.738 4.527 -0.000 0.000 0.302 1049 F C 2.661 178.489 175.800 0.046 0.000 1.097 1049 F CA 0.634 58.673 58.000 0.064 0.000 1.330 1049 F CB 0.666 39.694 39.000 0.047 0.000 1.084 1049 F HN 0.491 nan 8.300 nan 0.000 0.578 1050 S N -1.057 114.752 115.700 0.181 0.000 2.446 1050 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 1050 S C 0.950 175.553 174.600 0.005 0.000 1.016 1050 S CA 0.723 58.962 58.200 0.065 0.000 0.943 1050 S CB -0.150 63.057 63.200 0.011 0.000 0.786 1050 S HN 0.349 nan 8.310 nan 0.000 0.508 1051 D N 0.262 120.698 120.400 0.059 0.000 2.870 1051 D HA -0.146 4.494 4.640 -0.000 0.000 0.228 1051 D C -0.241 176.060 176.300 0.002 0.000 1.147 1051 D CA 1.031 55.057 54.000 0.042 0.000 0.757 1051 D CB -1.872 38.951 40.800 0.038 0.000 1.091 1051 D HN 0.806 nan 8.370 nan 0.000 0.429 1052 V N -4.389 115.509 119.914 -0.028 0.000 3.040 1052 V HA 0.865 4.985 4.120 -0.000 0.000 0.312 1052 V C 0.413 176.563 176.094 0.093 0.000 1.115 1052 V CA -0.516 61.757 62.300 -0.046 0.000 0.998 1052 V CB 2.319 33.964 31.823 -0.298 0.000 1.042 1052 V HN -0.004 nan 8.190 nan 0.000 0.433 1053 T N 4.144 118.782 114.554 0.139 0.000 2.925 1053 T HA 0.632 4.982 4.350 -0.000 0.000 0.285 1053 T C -2.702 172.191 174.700 0.323 0.000 1.021 1053 T CA -1.147 61.068 62.100 0.192 0.000 1.042 1053 T CB 1.944 70.850 68.868 0.065 0.000 1.037 1053 T HN 0.836 nan 8.240 nan 0.000 0.481 1054 P HA 0.406 nan 4.420 nan 0.000 0.274 1054 P C -0.936 176.472 177.300 0.180 0.000 1.237 1054 P CA -0.331 62.965 63.100 0.327 0.000 0.793 1054 P CB 0.890 32.679 31.700 0.148 0.000 0.977 1055 I N 1.889 122.563 120.570 0.174 0.000 2.436 1055 I HA 0.303 4.473 4.170 -0.000 0.000 0.289 1055 I C -0.515 175.659 176.117 0.095 0.000 1.010 1055 I CA -0.904 60.455 61.300 0.099 0.000 1.098 1055 I CB 1.784 39.815 38.000 0.052 0.000 1.266 1055 I HN 0.110 nan 8.210 nan 0.000 0.434 1056 L N 5.629 126.907 121.223 0.092 0.000 2.376 1056 L HA 0.471 4.811 4.340 -0.000 0.000 0.275 1056 L C -0.486 176.431 176.870 0.079 0.000 0.987 1056 L CA 0.027 54.936 54.840 0.115 0.000 0.828 1056 L CB 1.904 44.081 42.059 0.196 0.000 1.249 1056 L HN 0.464 nan 8.230 nan 0.000 0.409 1057 S N 2.443 118.158 115.700 0.024 0.000 2.503 1057 S HA 0.658 5.128 4.470 -0.000 0.000 0.301 1057 S C -0.559 173.944 174.600 -0.161 0.000 1.087 1057 S CA -0.664 57.507 58.200 -0.048 0.000 1.042 1057 S CB 2.035 65.207 63.200 -0.046 0.000 1.043 1057 S HN 0.247 nan 8.310 nan 0.000 0.489 1058 V N 4.185 123.947 119.914 -0.254 0.000 2.432 1058 V HA 0.453 4.573 4.120 -0.000 0.000 0.271 1058 V C 0.141 176.064 176.094 -0.285 0.000 1.046 1058 V CA -0.352 61.681 62.300 -0.446 0.000 0.945 1058 V CB 0.134 31.660 31.823 -0.494 0.000 0.992 1058 V HN 0.909 nan 8.190 nan 0.000 0.471 1059 R N 4.093 124.429 120.500 -0.273 0.000 2.837 1059 R HA 0.762 5.102 4.340 -0.000 0.000 0.271 1059 R C -1.041 175.153 176.300 -0.176 0.000 0.993 1059 R CA -1.026 54.964 56.100 -0.182 0.000 0.931 1059 R CB 1.660 31.889 30.300 -0.119 0.000 1.206 1059 R HN 0.454 nan 8.270 nan 0.000 0.474 1060 K N 0.610 120.936 120.400 -0.123 0.000 2.098 1060 K HA 0.494 4.814 4.320 -0.000 0.000 0.258 1060 K C -0.950 175.612 176.600 -0.063 0.000 0.973 1060 K CA -0.895 55.337 56.287 -0.091 0.000 0.898 1060 K CB 1.492 33.950 32.500 -0.071 0.000 1.057 1060 K HN 0.752 nan 8.250 nan 0.000 0.447 1061 E N 1.550 121.723 120.200 -0.045 0.000 3.386 1061 E HA 0.001 4.351 4.350 -0.000 0.000 0.370 1061 E C -1.624 174.964 176.600 -0.022 0.000 1.006 1061 E CA -0.173 56.207 56.400 -0.034 0.000 0.812 1061 E CB 0.332 30.007 29.700 -0.041 0.000 1.301 1061 E HN 0.644 nan 8.360 nan 0.000 0.460 1062 D N 3.843 124.234 120.400 -0.016 0.000 2.697 1062 D HA -0.220 4.420 4.640 -0.000 0.000 0.235 1062 D C 0.642 176.940 176.300 -0.004 0.000 1.167 1062 D CA 1.810 55.805 54.000 -0.009 0.000 0.656 1062 D CB -1.047 39.747 40.800 -0.009 0.000 1.025 1062 D HN 1.192 nan 8.370 nan 0.000 0.419 1063 G N 0.478 109.275 108.800 -0.004 0.000 2.160 1063 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.251 1063 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.251 1063 G C 0.096 175.002 174.900 0.010 0.000 1.008 1063 G CA 0.918 46.020 45.100 0.003 0.000 0.724 1063 G HN 0.688 nan 8.290 nan 0.000 0.514 1064 K N -1.053 119.350 120.400 0.006 0.000 2.557 1064 K HA 0.540 4.860 4.320 -0.000 0.000 0.261 1064 K C -0.525 176.074 176.600 -0.001 0.000 0.932 1064 K CA -1.192 55.108 56.287 0.020 0.000 0.829 1064 K CB 1.717 34.239 32.500 0.037 0.000 1.358 1064 K HN 0.138 nan 8.250 nan 0.000 0.430 1065 K N 1.962 122.365 120.400 0.004 0.000 2.451 1065 K HA 0.017 4.337 4.320 -0.000 0.000 0.280 1065 K C -0.863 175.691 176.600 -0.076 0.000 1.020 1065 K CA 0.518 56.746 56.287 -0.097 0.000 1.008 1065 K CB 0.574 32.997 32.500 -0.127 0.000 0.917 1065 K HN 0.576 nan 8.250 nan 0.000 0.478 1066 E N 3.357 123.428 120.200 -0.215 0.000 2.212 1066 E HA 0.246 4.596 4.350 -0.000 0.000 0.268 1066 E C -1.076 175.369 176.600 -0.257 0.000 0.902 1066 E CA -0.759 55.589 56.400 -0.086 0.000 0.779 1066 E CB 1.290 30.958 29.700 -0.054 0.000 1.172 1066 E HN 0.517 nan 8.360 nan 0.000 0.409 1067 W N 2.981 124.228 121.300 -0.088 0.000 2.314 1067 W HA 0.366 5.026 4.660 -0.000 0.000 0.310 1067 W C -0.820 175.642 176.519 -0.094 0.000 1.075 1067 W CA -0.632 56.667 57.345 -0.077 0.000 1.253 1067 W CB 1.413 30.812 29.460 -0.102 0.000 1.238 1067 W HN 0.192 nan 8.180 nan 0.000 0.440 1068 V N 5.617 125.568 119.914 0.062 0.000 2.417 1068 V HA 0.152 4.272 4.120 -0.000 0.000 0.291 1068 V C -0.052 176.060 176.094 0.030 0.000 1.024 1068 V CA -0.985 61.323 62.300 0.013 0.000 0.861 1068 V CB 1.618 33.425 31.823 -0.027 0.000 0.985 1068 V HN 0.298 nan 8.190 nan 0.000 0.436 1069 L N 5.827 127.056 121.223 0.010 0.000 2.433 1069 L HA 0.367 4.707 4.340 -0.000 0.000 0.284 1069 L C 0.494 177.392 176.870 0.046 0.000 1.120 1069 L CA 0.537 55.395 54.840 0.030 0.000 0.879 1069 L CB -0.029 42.020 42.059 -0.016 0.000 1.232 1069 L HN 0.839 nan 8.230 nan 0.000 0.454 1070 D N 2.317 122.752 120.400 0.058 0.000 2.599 1070 D HA 0.454 5.094 4.640 -0.000 0.000 0.249 1070 D C 0.153 176.487 176.300 0.055 0.000 1.313 1070 D CA 0.234 54.262 54.000 0.046 0.000 0.815 1070 D CB 0.379 41.187 40.800 0.013 0.000 1.077 1070 D HN 0.569 nan 8.370 nan 0.000 0.492 1071 G N -0.623 108.238 108.800 0.102 0.000 2.349 1071 G HA2 0.466 4.426 3.960 -0.000 0.000 0.294 1071 G HA3 0.466 4.426 3.960 -0.000 0.000 0.294 1071 G C -1.894 173.113 174.900 0.179 0.000 1.380 1071 G CA -0.740 44.404 45.100 0.073 0.000 0.811 1071 G HN 0.223 nan 8.290 nan 0.000 0.519 1072 Y N -1.849 118.465 120.300 0.023 0.000 2.715 1072 Y HA 0.896 5.446 4.550 -0.000 0.000 0.331 1072 Y C -0.676 175.201 175.900 -0.038 0.000 1.197 1072 Y CA -1.350 56.744 58.100 -0.011 0.000 1.079 1072 Y CB 1.953 40.279 38.460 -0.224 0.000 1.298 1072 Y HN 0.753 nan 8.280 nan 0.000 0.477 1073 Q N 1.063 120.936 119.800 0.122 0.000 2.295 1073 Q HA 0.532 4.872 4.340 -0.000 0.000 0.268 1073 Q C -1.993 174.075 176.000 0.114 0.000 1.010 1073 Q CA -0.842 54.972 55.803 0.018 0.000 0.856 1073 Q CB 2.562 31.309 28.738 0.015 0.000 1.349 1073 Q HN 0.820 nan 8.270 nan 0.000 0.412 1074 V N 2.906 122.868 119.914 0.080 0.000 2.584 1074 V HA 0.146 4.266 4.120 -0.000 0.000 0.303 1074 V C 0.433 176.552 176.094 0.042 0.000 1.035 1074 V CA 0.776 63.119 62.300 0.071 0.000 1.172 1074 V CB 0.438 32.288 31.823 0.045 0.000 0.896 1074 V HN 0.850 nan 8.190 nan 0.000 0.486 1075 A N 6.702 129.546 122.820 0.039 0.000 2.492 1075 A HA 0.265 4.585 4.320 -0.000 0.000 0.254 1075 A C 0.679 178.276 177.584 0.021 0.000 1.091 1075 A CA -0.175 51.881 52.037 0.031 0.000 0.768 1075 A CB -0.067 18.955 19.000 0.038 0.000 1.028 1075 A HN 0.841 nan 8.150 nan 0.000 0.498 1076 R N 2.689 123.196 120.500 0.011 0.000 2.401 1076 R HA 0.006 4.346 4.340 -0.000 0.000 0.299 1076 R C -0.375 175.933 176.300 0.012 0.000 1.064 1076 R CA -0.326 55.779 56.100 0.008 0.000 1.000 1076 R CB 0.272 30.571 30.300 -0.000 0.000 0.973 1076 R HN 0.787 nan 8.270 nan 0.000 0.438 1077 N N 4.025 122.735 118.700 0.016 0.000 2.466 1077 N HA -0.067 4.673 4.740 -0.000 0.000 0.263 1077 N C -0.844 174.677 175.510 0.018 0.000 1.178 1077 N CA -0.207 52.856 53.050 0.021 0.000 0.983 1077 N CB 0.469 38.969 38.487 0.023 0.000 1.331 1077 N HN 0.491 nan 8.380 nan 0.000 0.500 1078 D N 2.169 122.579 120.400 0.017 0.000 3.060 1078 D HA 0.162 4.802 4.640 -0.000 0.000 0.245 1078 D C 0.913 177.227 176.300 0.022 0.000 1.274 1078 D CA -0.599 53.410 54.000 0.015 0.000 0.864 1078 D CB -0.902 39.902 40.800 0.008 0.000 1.073 1078 D HN 0.492 nan 8.370 nan 0.000 0.473 1079 G N 1.089 109.904 108.800 0.025 0.000 2.341 1079 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.292 1079 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.292 1079 G C 0.770 175.690 174.900 0.034 0.000 1.021 1079 G CA 0.180 45.296 45.100 0.027 0.000 0.905 1079 G HN 0.404 nan 8.290 nan 0.000 0.508 1080 Q N -0.841 118.985 119.800 0.043 0.000 2.352 1080 Q HA 0.376 4.716 4.340 -0.000 0.000 0.212 1080 Q C 1.676 177.712 176.000 0.060 0.000 0.888 1080 Q CA 1.224 57.061 55.803 0.056 0.000 0.934 1080 Q CB 0.630 29.411 28.738 0.072 0.000 1.093 1080 Q HN 1.827 nan 8.270 nan 0.000 0.523 1081 G N 1.629 110.462 108.800 0.054 0.000 2.660 1081 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 1081 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 1081 G C -0.800 174.140 174.900 0.065 0.000 1.345 1081 G CA -0.605 44.528 45.100 0.054 0.000 0.877 1081 G HN 0.163 nan 8.290 nan 0.000 0.549 1082 K N 0.419 120.858 120.400 0.065 0.000 2.518 1082 K HA 0.445 4.765 4.320 -0.000 0.000 0.276 1082 K C 1.131 177.792 176.600 0.102 0.000 0.974 1082 K CA 0.490 56.823 56.287 0.077 0.000 0.986 1082 K CB 0.364 32.904 32.500 0.067 0.000 0.901 1082 K HN 1.211 nan 8.250 nan 0.000 0.497 1083 A N 2.065 124.956 122.820 0.119 0.000 2.483 1083 A HA 0.303 4.623 4.320 -0.000 0.000 0.238 1083 A C 0.036 177.710 177.584 0.150 0.000 1.070 1083 A CA 0.000 52.130 52.037 0.154 0.000 0.770 1083 A CB 0.127 19.222 19.000 0.159 0.000 1.008 1083 A HN 0.773 nan 8.150 nan 0.000 0.497 1084 A N 1.596 124.527 122.820 0.186 0.000 2.524 1084 A HA 0.456 4.776 4.320 -0.000 0.000 0.250 1084 A C 1.442 179.091 177.584 0.108 0.000 1.078 1084 A CA 0.366 52.499 52.037 0.160 0.000 0.761 1084 A CB -0.281 18.835 19.000 0.193 0.000 1.012 1084 A HN 1.955 nan 8.150 nan 0.000 0.500 1085 A N 2.721 125.558 122.820 0.030 0.000 1.930 1085 A HA 0.271 4.591 4.320 -0.000 0.000 0.217 1085 A C 1.437 178.987 177.584 -0.057 0.000 1.175 1085 A CA 2.002 54.029 52.037 -0.017 0.000 0.627 1085 A CB -0.501 18.485 19.000 -0.023 0.000 0.815 1085 A HN 1.489 nan 8.150 nan 0.000 0.443 1086 T N -5.702 108.947 114.554 0.158 0.000 2.696 1086 T HA 0.451 4.801 4.350 -0.000 0.000 0.291 1086 T C 0.585 175.365 174.700 0.133 0.000 1.095 1086 T CA 0.079 62.258 62.100 0.131 0.000 1.026 1086 T CB 0.405 69.357 68.868 0.140 0.000 1.390 1086 T HN 0.597 nan 8.240 nan 0.000 0.513 1087 F N 0.408 120.328 119.950 -0.050 0.000 2.407 1087 F HA 0.212 4.739 4.527 -0.000 0.000 0.299 1087 F C 1.977 177.678 175.800 -0.164 0.000 1.097 1087 F CA 0.536 58.452 58.000 -0.140 0.000 1.422 1087 F CB -0.518 38.368 39.000 -0.190 0.000 1.067 1087 F HN 0.216 nan 8.300 nan 0.000 0.539 1088 M N 0.655 119.668 119.600 -0.979 0.000 2.279 1088 M HA -0.159 4.321 4.480 -0.000 0.000 0.264 1088 M C 1.415 177.354 176.300 -0.602 0.000 1.062 1088 M CA 1.588 56.320 55.300 -0.947 0.000 1.099 1088 M CB -1.487 30.656 32.600 -0.762 0.000 1.394 1088 M HN 0.369 nan 8.290 nan 0.000 0.426 1089 H N -0.843 118.098 119.070 -0.214 0.000 2.547 1089 H HA 0.245 4.801 4.556 -0.000 0.000 0.266 1089 H C 0.323 175.626 175.328 -0.042 0.000 0.988 1089 H CA -0.086 55.913 56.048 -0.083 0.000 1.147 1089 H CB -0.144 29.605 29.762 -0.021 0.000 1.365 1089 H HN 0.233 nan 8.280 nan 0.000 0.589 1090 I N 2.708 123.266 120.570 -0.021 0.000 2.372 1090 I HA -0.036 4.134 4.170 -0.000 0.000 0.298 1090 I C 0.653 176.836 176.117 0.111 0.000 1.137 1090 I CA -0.427 60.875 61.300 0.003 0.000 1.314 1090 I CB -0.053 37.838 38.000 -0.181 0.000 1.444 1090 I HN 0.246 nan 8.210 nan 0.000 0.541 1091 S N 5.516 121.290 115.700 0.124 0.000 2.572 1091 S HA -0.130 4.340 4.470 -0.000 0.000 0.267 1091 S C 1.073 175.716 174.600 0.071 0.000 1.361 1091 S CA -0.015 58.254 58.200 0.114 0.000 1.009 1091 S CB 0.531 63.778 63.200 0.079 0.000 0.888 1091 S HN 0.616 nan 8.310 nan 0.000 0.553 1092 Y N 2.287 122.350 120.300 -0.395 0.000 2.242 1092 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 1092 Y C 2.524 178.382 175.900 -0.070 0.000 1.137 1092 Y CA 2.104 59.877 58.100 -0.544 0.000 1.181 1092 Y CB -0.385 37.475 38.460 -1.001 0.000 0.989 1092 Y HN 0.896 nan 8.280 nan 0.000 0.527 1093 N N 0.371 119.057 118.700 -0.024 0.000 2.142 1093 N HA -0.252 4.488 4.740 -0.000 0.000 0.186 1093 N C 1.678 177.155 175.510 -0.054 0.000 1.023 1093 N CA 1.322 54.340 53.050 -0.053 0.000 0.852 1093 N CB -0.441 38.071 38.487 0.042 0.000 0.998 1093 N HN 0.401 nan 8.380 nan 0.000 0.424 1094 N N 1.149 119.873 118.700 0.039 0.000 2.011 1094 N HA -0.239 4.501 4.740 -0.000 0.000 0.199 1094 N C 1.788 177.400 175.510 0.169 0.000 1.047 1094 N CA 1.669 54.796 53.050 0.128 0.000 0.863 1094 N CB -1.053 37.542 38.487 0.181 0.000 1.056 1094 N HN 0.382 nan 8.380 nan 0.000 0.427 1095 F N 0.235 120.185 119.950 0.001 0.000 2.087 1095 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 1095 F C 2.228 177.995 175.800 -0.055 0.000 1.100 1095 F CA 1.407 59.409 58.000 0.004 0.000 1.226 1095 F CB -0.484 38.474 39.000 -0.070 0.000 0.983 1095 F HN 0.134 nan 8.300 nan 0.000 0.479 1096 I N 1.042 121.143 120.570 -0.781 0.000 2.439 1096 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 1096 I C 2.618 178.478 176.117 -0.429 0.000 1.139 1096 I CA 1.983 62.749 61.300 -0.888 0.000 1.438 1096 I CB -0.793 36.661 38.000 -0.909 0.000 1.085 1096 I HN 0.490 nan 8.210 nan 0.000 0.427 1097 T N -2.873 111.537 114.554 -0.240 0.000 2.985 1097 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 1097 T C 1.868 176.525 174.700 -0.071 0.000 1.076 1097 T CA 0.733 62.764 62.100 -0.115 0.000 1.135 1097 T CB -0.311 68.527 68.868 -0.051 0.000 0.890 1097 T HN 0.285 nan 8.240 nan 0.000 0.480 1098 E N 1.283 121.467 120.200 -0.027 0.000 2.051 1098 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 1098 E C 2.226 178.809 176.600 -0.028 0.000 0.991 1098 E CA 1.014 57.432 56.400 0.030 0.000 0.799 1098 E CB -0.403 29.440 29.700 0.239 0.000 0.748 1098 E HN 0.429 nan 8.360 nan 0.000 0.449 1099 V N 1.383 121.230 119.914 -0.111 0.000 2.594 1099 V HA -0.197 3.923 4.120 -0.000 0.000 0.253 1099 V C 1.127 177.173 176.094 -0.080 0.000 1.069 1099 V CA 1.197 63.428 62.300 -0.115 0.000 1.082 1099 V CB -0.595 31.065 31.823 -0.271 0.000 0.680 1099 V HN 0.209 nan 8.190 nan 0.000 0.469 1100 N N 0.000 118.647 118.700 -0.089 0.000 1.763 1100 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1100 N CA 0.000 53.016 53.050 -0.057 0.000 0.885 1100 N CB 0.000 38.444 38.487 -0.071 0.000 1.341 1100 N HN 0.000 nan 8.380 nan 0.000 0.667