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_D 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 FNGGXXXXTT LTTDNLDAVQ SAFVMRTDLN KADKLVINKS DATA SEQUENCE ATGHDNSIWV NFLXXXXXXX XXDIPLVSAP EATADNLFRA STRVVGFSDV DATA SEQUENCE TPILSVRKED GKKEWVLDGY QVXXXXXXXX XAATFMHISY 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 0.000 174.888 174.900 -0.020 0.000 0.946 53 G CA 0.000 45.028 45.100 -0.120 0.000 0.502 54 T N 0.232 114.810 114.554 0.041 0.000 2.881 54 T HA 0.659 5.009 4.350 -0.000 0.000 0.290 54 T C -0.253 174.388 174.700 -0.098 0.000 1.000 54 T CA -0.097 62.053 62.100 0.084 0.000 0.978 54 T CB 1.313 70.325 68.868 0.240 0.000 0.997 54 T HN 1.492 nan 8.240 nan 0.000 0.443 55 V N 1.678 121.468 119.914 -0.206 0.000 2.960 55 V HA 0.807 4.927 4.120 -0.000 0.000 0.315 55 V C -0.030 175.895 176.094 -0.282 0.000 1.087 55 V CA -1.485 60.562 62.300 -0.421 0.000 0.982 55 V CB 1.721 32.914 31.823 -1.049 0.000 1.039 55 V HN 0.897 nan 8.190 nan 0.000 0.437 56 N N 1.870 120.345 118.700 -0.375 0.000 2.371 56 N HA 0.109 4.849 4.740 -0.000 0.000 0.243 56 N C 0.384 175.822 175.510 -0.120 0.000 1.287 56 N CA 0.309 53.008 53.050 -0.584 0.000 0.911 56 N CB 0.083 37.797 38.487 -1.289 0.000 1.142 56 N HN 0.906 nan 8.380 nan 0.000 0.451 57 N N -0.585 118.131 118.700 0.027 0.000 2.268 57 N HA -0.001 4.739 4.740 -0.000 0.000 0.204 57 N C -0.268 175.373 175.510 0.218 0.000 1.124 57 N CA 0.166 53.318 53.050 0.170 0.000 0.838 57 N CB -0.051 38.546 38.487 0.183 0.000 0.994 57 N HN 0.775 nan 8.380 nan 0.000 0.489 58 E N -0.154 120.190 120.200 0.239 0.000 2.489 58 E HA 0.261 4.611 4.350 -0.000 0.000 0.204 58 E C -0.187 176.547 176.600 0.223 0.000 1.006 58 E CA -0.034 56.521 56.400 0.258 0.000 0.936 58 E CB 0.852 30.760 29.700 0.345 0.000 1.002 58 E HN 0.304 nan 8.360 nan 0.000 0.488 59 L N 0.982 122.350 121.223 0.242 0.000 2.329 59 L HA 0.405 4.745 4.340 -0.000 0.000 0.279 59 L C 0.581 177.587 176.870 0.225 0.000 1.014 59 L CA -1.011 53.947 54.840 0.197 0.000 0.814 59 L CB 1.677 43.837 42.059 0.168 0.000 1.257 59 L HN -0.004 nan 8.230 nan 0.000 0.424 60 G N 0.694 109.581 108.800 0.144 0.000 2.272 60 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.247 60 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.247 60 G C 0.374 175.409 174.900 0.224 0.000 1.272 60 G CA 0.111 45.312 45.100 0.169 0.000 0.921 60 G HN 0.690 nan 8.290 nan 0.000 0.495 61 Y N 1.976 122.387 120.300 0.185 0.000 2.139 61 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 61 Y C 2.889 178.925 175.900 0.226 0.000 1.179 61 Y CA 2.602 60.865 58.100 0.272 0.000 1.161 61 Y CB -0.193 38.353 38.460 0.143 0.000 0.970 61 Y HN 0.647 nan 8.280 nan 0.000 0.511 62 Q N 0.201 120.067 119.800 0.111 0.000 2.297 62 Q HA -0.160 4.180 4.340 -0.000 0.000 0.208 62 Q C 1.909 177.914 176.000 0.009 0.000 0.981 62 Q CA 1.683 57.508 55.803 0.037 0.000 0.876 62 Q CB -0.558 28.228 28.738 0.079 0.000 0.921 62 Q HN 0.668 nan 8.270 nan 0.000 0.446 63 L N -0.936 120.246 121.223 -0.068 0.000 2.083 63 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 63 L C 1.736 178.400 176.870 -0.343 0.000 1.083 63 L CA 0.965 55.738 54.840 -0.112 0.000 0.752 63 L CB -0.434 41.458 42.059 -0.277 0.000 0.899 63 L HN 0.249 nan 8.230 nan 0.000 0.433 64 F N -0.381 119.429 119.950 -0.234 0.000 2.163 64 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 64 F C 2.690 178.356 175.800 -0.223 0.000 1.094 64 F CA 0.700 58.504 58.000 -0.328 0.000 1.290 64 F CB -0.470 38.286 39.000 -0.406 0.000 1.017 64 F HN -0.105 nan 8.300 nan 0.000 0.483 65 R N 0.630 121.098 120.500 -0.052 0.000 2.080 65 R HA -0.165 4.175 4.340 -0.000 0.000 0.236 65 R C 1.736 178.067 176.300 0.052 0.000 1.137 65 R CA 1.733 57.825 56.100 -0.013 0.000 0.943 65 R CB -1.159 29.099 30.300 -0.071 0.000 0.846 65 R HN 0.264 nan 8.270 nan 0.000 0.431 66 D N -0.139 120.313 120.400 0.085 0.000 2.178 66 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 66 D C 1.718 178.081 176.300 0.105 0.000 0.974 66 D CA 0.584 54.698 54.000 0.190 0.000 0.841 66 D CB -0.257 40.795 40.800 0.420 0.000 0.953 66 D HN 0.115 nan 8.370 nan 0.000 0.478 67 F N 1.786 121.465 119.950 -0.451 0.000 2.051 67 F HA -0.209 4.317 4.527 -0.000 0.000 0.296 67 F C 2.298 178.014 175.800 -0.141 0.000 1.122 67 F CA 1.820 59.370 58.000 -0.751 0.000 1.201 67 F CB -0.065 38.296 39.000 -1.064 0.000 0.978 67 F HN -0.062 nan 8.300 nan 0.000 0.472 68 A N -0.177 122.808 122.820 0.275 0.000 1.978 68 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 68 A C 1.880 179.560 177.584 0.161 0.000 1.170 68 A CA 1.965 54.114 52.037 0.185 0.000 0.636 68 A CB -0.809 18.256 19.000 0.109 0.000 0.810 68 A HN 0.637 nan 8.150 nan 0.000 0.448 69 E N -1.075 119.204 120.200 0.133 0.000 2.465 69 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 69 E C -0.255 176.419 176.600 0.122 0.000 1.053 69 E CA -0.072 56.402 56.400 0.124 0.000 0.869 69 E CB -0.223 29.532 29.700 0.091 0.000 0.977 69 E HN 0.711 nan 8.360 nan 0.000 0.483 70 N N 1.192 119.954 118.700 0.104 0.000 2.708 70 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 70 N C -0.698 174.829 175.510 0.029 0.000 1.097 70 N CA 0.549 53.600 53.050 0.001 0.000 0.710 70 N CB -0.439 38.018 38.487 -0.049 0.000 1.032 70 N HN 0.077 nan 8.380 nan 0.000 0.551 71 K N -0.380 120.065 120.400 0.075 0.000 2.123 71 K HA 0.607 4.927 4.320 -0.000 0.000 0.248 71 K C 1.184 177.750 176.600 -0.055 0.000 0.969 71 K CA 0.098 56.385 56.287 -0.001 0.000 0.882 71 K CB 1.202 33.711 32.500 0.016 0.000 1.080 71 K HN 0.180 nan 8.250 nan 0.000 0.441 72 G N 1.848 110.440 108.800 -0.347 0.000 2.561 72 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.289 72 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.289 72 G C 0.746 175.484 174.900 -0.270 0.000 1.169 72 G CA 0.588 45.364 45.100 -0.539 0.000 0.980 72 G HN 0.740 nan 8.290 nan 0.000 0.550 73 M N -0.432 118.996 119.600 -0.287 0.000 2.618 73 M HA 0.484 4.964 4.480 -0.000 0.000 0.240 73 M C 1.479 177.463 176.300 -0.526 0.000 1.123 73 M CA 1.363 56.420 55.300 -0.405 0.000 1.060 73 M CB -0.111 32.200 32.600 -0.481 0.000 1.535 73 M HN 0.257 nan 8.290 nan 0.000 0.507 74 F N 2.559 122.442 119.950 -0.112 0.000 2.645 74 F HA 0.317 4.844 4.527 -0.000 0.000 0.300 74 F C 1.182 176.849 175.800 -0.222 0.000 1.115 74 F CA -0.906 56.988 58.000 -0.177 0.000 1.355 74 F CB -0.039 38.849 39.000 -0.186 0.000 1.026 74 F HN 0.189 nan 8.300 nan 0.000 0.536 75 R N 0.718 121.172 120.500 -0.076 0.000 2.774 75 R HA 0.281 4.621 4.340 -0.000 0.000 0.269 75 R C -2.796 173.417 176.300 -0.146 0.000 1.068 75 R CA -1.691 54.346 56.100 -0.104 0.000 1.180 75 R CB -0.868 29.373 30.300 -0.098 0.000 1.077 75 R HN -0.096 nan 8.270 nan 0.000 0.513 76 P HA 0.026 nan 4.420 nan 0.000 0.268 76 P C 0.517 177.738 177.300 -0.131 0.000 1.204 76 P CA 1.227 64.206 63.100 -0.202 0.000 0.768 76 P CB 0.732 32.323 31.700 -0.182 0.000 0.842 77 G N 1.801 110.533 108.800 -0.113 0.000 2.241 77 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 77 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 77 G C 0.476 175.341 174.900 -0.058 0.000 0.998 77 G CA 0.004 45.066 45.100 -0.063 0.000 0.621 77 G HN 0.848 nan 8.290 nan 0.000 0.519 78 A N 0.941 123.713 122.820 -0.079 0.000 2.546 78 A HA 0.566 4.886 4.320 -0.000 0.000 0.243 78 A C 0.906 178.465 177.584 -0.042 0.000 1.063 78 A CA 1.739 53.731 52.037 -0.074 0.000 0.757 78 A CB -0.001 18.932 19.000 -0.110 0.000 0.991 78 A HN 1.883 nan 8.150 nan 0.000 0.503 79 T N 0.074 114.607 114.554 -0.034 0.000 2.908 79 T HA 0.558 4.908 4.350 -0.000 0.000 0.290 79 T C -0.047 174.650 174.700 -0.006 0.000 1.034 79 T CA -0.798 61.294 62.100 -0.013 0.000 1.010 79 T CB 1.067 69.925 68.868 -0.018 0.000 1.068 79 T HN 0.746 nan 8.240 nan 0.000 0.481 80 N N 0.589 119.300 118.700 0.018 0.000 2.725 80 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 80 N C -0.585 174.940 175.510 0.026 0.000 1.031 80 N CA 0.378 53.446 53.050 0.031 0.000 0.720 80 N CB -1.372 37.127 38.487 0.019 0.000 0.930 80 N HN 0.787 nan 8.380 nan 0.000 0.543 81 I N 0.485 121.070 120.570 0.025 0.000 2.421 81 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 81 I C 1.154 177.285 176.117 0.022 0.000 1.089 81 I CA -0.125 61.168 61.300 -0.013 0.000 1.354 81 I CB 0.565 38.538 38.000 -0.046 0.000 1.413 81 I HN 0.215 nan 8.210 nan 0.000 0.513 82 A N 7.830 130.659 122.820 0.016 0.000 2.310 82 A HA 0.759 5.079 4.320 -0.000 0.000 0.299 82 A C -0.542 176.936 177.584 -0.176 0.000 1.147 82 A CA -0.457 51.589 52.037 0.015 0.000 0.818 82 A CB 0.870 19.950 19.000 0.133 0.000 1.096 82 A HN 0.736 nan 8.150 nan 0.000 0.495 83 I N -0.082 120.239 120.570 -0.416 0.000 2.545 83 I HA 0.776 4.946 4.170 -0.000 0.000 0.292 83 I C -1.782 173.965 176.117 -0.616 0.000 1.040 83 I CA -0.562 60.500 61.300 -0.396 0.000 1.068 83 I CB 1.558 39.455 38.000 -0.171 0.000 1.251 83 I HN 0.526 nan 8.210 nan 0.000 0.424 84 Y N 4.072 124.347 120.300 -0.041 0.000 2.462 84 Y HA 0.474 5.024 4.550 -0.000 0.000 0.346 84 Y C 0.697 176.584 175.900 -0.021 0.000 0.976 84 Y CA -0.823 57.262 58.100 -0.025 0.000 1.044 84 Y CB 1.109 39.599 38.460 0.050 0.000 1.230 84 Y HN 0.601 nan 8.280 nan 0.000 0.455 85 N N 1.698 120.489 118.700 0.151 0.000 2.147 85 N HA -0.154 4.586 4.740 -0.000 0.000 0.243 85 N C 0.854 176.449 175.510 0.142 0.000 1.234 85 N CA 0.749 53.880 53.050 0.136 0.000 0.847 85 N CB 0.575 39.145 38.487 0.138 0.000 1.083 85 N HN 0.764 nan 8.380 nan 0.000 0.457 86 K N 1.235 121.715 120.400 0.135 0.000 2.148 86 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 86 K C 1.150 177.812 176.600 0.102 0.000 1.050 86 K CA 0.914 57.274 56.287 0.121 0.000 0.942 86 K CB 0.031 32.608 32.500 0.128 0.000 0.724 86 K HN 0.363 nan 8.250 nan 0.000 0.446 87 Q N 0.151 120.013 119.800 0.104 0.000 2.387 87 Q HA 0.042 4.382 4.340 -0.000 0.000 0.211 87 Q C 0.522 176.566 176.000 0.073 0.000 0.952 87 Q CA 0.509 56.363 55.803 0.085 0.000 0.957 87 Q CB -0.383 28.409 28.738 0.090 0.000 1.002 87 Q HN 0.451 nan 8.270 nan 0.000 0.502 88 G N 0.617 109.462 108.800 0.075 0.000 2.244 88 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.274 88 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.274 88 G C -0.117 174.831 174.900 0.081 0.000 1.002 88 G CA 0.823 45.945 45.100 0.037 0.000 0.740 88 G HN 0.535 nan 8.290 nan 0.000 0.516 89 E N -0.490 119.813 120.200 0.171 0.000 2.248 89 E HA 0.541 4.891 4.350 -0.000 0.000 0.272 89 E C -0.583 176.257 176.600 0.400 0.000 1.008 89 E CA -1.363 55.189 56.400 0.253 0.000 0.856 89 E CB 1.282 31.078 29.700 0.160 0.000 1.120 89 E HN 0.185 nan 8.360 nan 0.000 0.397 90 F N 3.208 123.331 119.950 0.287 0.000 2.502 90 F HA 0.047 4.574 4.527 -0.000 0.000 0.371 90 F C 0.961 176.686 175.800 -0.126 0.000 1.083 90 F CA -0.149 57.892 58.000 0.068 0.000 1.174 90 F CB 0.882 39.940 39.000 0.097 0.000 1.096 90 F HN 0.379 nan 8.300 nan 0.000 0.545 91 V N 3.840 123.235 119.914 -0.865 0.000 2.949 91 V HA 0.683 4.802 4.120 -0.000 0.000 0.245 91 V C 0.743 176.231 176.094 -1.011 0.000 1.086 91 V CA 1.018 62.756 62.300 -0.936 0.000 1.097 91 V CB -0.371 30.726 31.823 -1.211 0.000 0.762 91 V HN 1.039 nan 8.190 nan 0.000 0.470 92 G N -0.983 106.982 108.800 -1.392 0.000 2.313 92 G HA2 0.428 4.388 3.960 -0.000 0.000 0.296 92 G HA3 0.428 4.388 3.960 -0.000 0.000 0.296 92 G C -1.068 173.453 174.900 -0.631 0.000 1.356 92 G CA 0.104 44.668 45.100 -0.893 0.000 0.833 92 G HN 0.538 nan 8.290 nan 0.000 0.552 93 T N -0.131 114.347 114.554 -0.126 0.000 2.886 93 T HA 0.550 4.900 4.350 -0.000 0.000 0.292 93 T C 0.050 174.813 174.700 0.105 0.000 1.012 93 T CA -0.583 61.548 62.100 0.051 0.000 0.982 93 T CB 1.009 70.007 68.868 0.216 0.000 1.018 93 T HN 0.618 nan 8.240 nan 0.000 0.451 94 L N 5.347 126.652 121.223 0.137 0.000 2.382 94 L HA 0.256 4.596 4.340 -0.000 0.000 0.259 94 L C 0.553 177.527 176.870 0.172 0.000 1.291 94 L CA -0.210 54.764 54.840 0.224 0.000 1.176 94 L CB -0.398 41.832 42.059 0.286 0.000 1.373 94 L HN 0.709 nan 8.230 nan 0.000 0.426 95 D N -1.472 119.011 120.400 0.138 0.000 2.433 95 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 95 D C 1.364 177.680 176.300 0.025 0.000 1.114 95 D CA -0.103 53.943 54.000 0.076 0.000 0.837 95 D CB 0.316 41.162 40.800 0.076 0.000 0.984 95 D HN 0.020 nan 8.370 nan 0.000 0.505 96 K N 0.578 120.995 120.400 0.027 0.000 2.167 96 K HA 0.374 4.694 4.320 -0.000 0.000 0.203 96 K C 0.718 177.116 176.600 -0.336 0.000 1.052 96 K CA 0.644 56.881 56.287 -0.084 0.000 0.956 96 K CB 0.402 32.886 32.500 -0.025 0.000 0.735 96 K HN 0.320 nan 8.250 nan 0.000 0.451 97 A N -0.372 122.231 122.820 -0.362 0.000 2.601 97 A HA 0.653 4.973 4.320 -0.000 0.000 0.291 97 A C -1.357 176.133 177.584 -0.158 0.000 1.075 97 A CA -0.402 51.263 52.037 -0.621 0.000 0.671 97 A CB 0.659 18.698 19.000 -1.601 0.000 1.277 97 A HN 0.069 nan 8.150 nan 0.000 0.417 98 A N 0.652 123.413 122.820 -0.098 0.000 2.520 98 A HA 0.466 4.786 4.320 -0.000 0.000 0.235 98 A C 0.601 178.262 177.584 0.128 0.000 1.065 98 A CA 0.367 52.420 52.037 0.027 0.000 0.764 98 A CB -0.425 18.583 19.000 0.014 0.000 1.002 98 A HN 1.721 nan 8.150 nan 0.000 0.502 99 M N 4.340 123.961 119.600 0.034 0.000 2.255 99 M HA 0.111 4.591 4.480 -0.000 0.000 0.356 99 M C -1.787 174.292 176.300 -0.369 0.000 1.338 99 M CA -1.033 54.204 55.300 -0.105 0.000 0.962 99 M CB 0.063 32.568 32.600 -0.157 0.000 1.877 99 M HN 0.528 nan 8.290 nan 0.000 0.463 100 P HA 0.091 nan 4.420 nan 0.000 0.274 100 P C -1.211 175.462 177.300 -1.045 0.000 1.246 100 P CA -0.297 62.069 63.100 -1.224 0.000 0.795 100 P CB 0.494 30.880 31.700 -2.190 0.000 1.006 101 D N 0.571 120.549 120.400 -0.704 0.000 2.313 101 D HA 0.162 4.802 4.640 -0.000 0.000 0.239 101 D C -0.135 175.883 176.300 -0.470 0.000 1.142 101 D CA -0.481 53.228 54.000 -0.484 0.000 0.847 101 D CB -0.370 40.307 40.800 -0.205 0.000 1.082 101 D HN 0.203 nan 8.370 nan 0.000 0.480 102 F N 1.516 121.314 119.950 -0.253 0.000 2.664 102 F HA 0.009 4.536 4.527 -0.000 0.000 0.301 102 F C 2.263 178.046 175.800 -0.027 0.000 1.126 102 F CA -0.415 57.451 58.000 -0.222 0.000 1.373 102 F CB 0.262 39.156 39.000 -0.177 0.000 1.042 102 F HN 0.326 nan 8.300 nan 0.000 0.535 103 S N -0.024 115.775 115.700 0.164 0.000 2.515 103 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 103 S C 2.039 176.762 174.600 0.205 0.000 0.987 103 S CA 0.594 58.908 58.200 0.190 0.000 0.936 103 S CB -0.225 63.131 63.200 0.260 0.000 0.766 103 S HN 0.301 nan 8.310 nan 0.000 0.528 104 A N 0.946 123.885 122.820 0.199 0.000 2.172 104 A HA 0.329 4.649 4.320 -0.000 0.000 0.216 104 A C 0.880 178.695 177.584 0.386 0.000 1.154 104 A CA 0.334 52.496 52.037 0.208 0.000 0.701 104 A CB -0.405 18.720 19.000 0.208 0.000 0.789 104 A HN 0.415 nan 8.150 nan 0.000 0.465 105 V N 1.791 121.936 119.914 0.386 0.000 2.465 105 V HA 0.181 4.301 4.120 -0.000 0.000 0.279 105 V C -0.074 176.171 176.094 0.252 0.000 1.045 105 V CA -0.582 61.916 62.300 0.330 0.000 0.938 105 V CB 1.172 33.142 31.823 0.244 0.000 0.986 105 V HN 0.701 nan 8.190 nan 0.000 0.467 106 D N 3.490 123.947 120.400 0.095 0.000 2.583 106 D HA -0.065 4.575 4.640 -0.000 0.000 0.232 106 D C 1.284 177.489 176.300 -0.158 0.000 1.128 106 D CA 0.659 54.490 54.000 -0.282 0.000 0.859 106 D CB 0.966 41.533 40.800 -0.389 0.000 1.169 106 D HN 0.576 nan 8.370 nan 0.000 0.481 107 S N 2.073 117.658 115.700 -0.192 0.000 2.453 107 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 107 S C 1.386 175.934 174.600 -0.087 0.000 1.005 107 S CA 0.277 58.416 58.200 -0.101 0.000 0.949 107 S CB -0.157 62.975 63.200 -0.113 0.000 0.774 107 S HN 0.520 nan 8.310 nan 0.000 0.510 108 E N 1.915 122.040 120.200 -0.124 0.000 2.060 108 E HA 0.156 4.506 4.350 -0.000 0.000 0.189 108 E C 1.956 178.515 176.600 -0.068 0.000 0.974 108 E CA 1.330 57.677 56.400 -0.089 0.000 0.808 108 E CB -0.148 29.488 29.700 -0.107 0.000 0.768 108 E HN 0.862 nan 8.360 nan 0.000 0.453 109 I N -5.362 115.148 120.570 -0.101 0.000 4.541 109 I HA 0.430 4.600 4.170 -0.000 0.000 0.337 109 I C 0.971 177.048 176.117 -0.066 0.000 1.338 109 I CA 0.314 61.575 61.300 -0.065 0.000 1.244 109 I CB 0.634 38.547 38.000 -0.145 0.000 1.417 109 I HN 0.085 nan 8.210 nan 0.000 0.501 110 G N 3.139 111.885 108.800 -0.090 0.000 2.321 110 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.287 110 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.287 110 G C 0.774 175.628 174.900 -0.077 0.000 1.018 110 G CA 0.835 45.898 45.100 -0.062 0.000 0.855 110 G HN 0.862 nan 8.290 nan 0.000 0.507 111 V N -4.250 115.565 119.914 -0.165 0.000 3.506 111 V HA 0.734 4.854 4.120 -0.000 0.000 0.263 111 V C 1.096 177.086 176.094 -0.173 0.000 1.203 111 V CA 1.254 63.431 62.300 -0.205 0.000 1.133 111 V CB 0.097 31.689 31.823 -0.385 0.000 0.802 111 V HN 1.749 nan 8.190 nan 0.000 0.459 112 A N -0.410 122.344 122.820 -0.109 0.000 2.454 112 A HA 0.835 5.155 4.320 -0.000 0.000 0.302 112 A C -0.327 177.346 177.584 0.150 0.000 1.079 112 A CA -0.370 51.689 52.037 0.036 0.000 0.731 112 A CB 1.872 20.928 19.000 0.093 0.000 1.299 112 A HN 0.268 nan 8.150 nan 0.000 0.413 113 T N 1.564 116.249 114.554 0.218 0.000 2.881 113 T HA 0.431 4.781 4.350 -0.000 0.000 0.290 113 T C -0.785 174.088 174.700 0.288 0.000 1.000 113 T CA -0.349 61.920 62.100 0.282 0.000 0.978 113 T CB 1.164 70.164 68.868 0.221 0.000 0.997 113 T HN 0.615 nan 8.240 nan 0.000 0.443 114 L N 5.219 126.608 121.223 0.276 0.000 2.500 114 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 114 L C 0.888 177.835 176.870 0.128 0.000 1.149 114 L CA 0.332 55.237 54.840 0.107 0.000 0.897 114 L CB -0.179 41.742 42.059 -0.230 0.000 1.178 114 L HN 0.767 nan 8.230 nan 0.000 0.473 115 I N 1.284 121.959 120.570 0.175 0.000 4.082 115 I HA 0.397 4.567 4.170 -0.000 0.000 0.337 115 I C 0.240 176.432 176.117 0.124 0.000 1.352 115 I CA -0.169 61.246 61.300 0.192 0.000 1.097 115 I CB 0.069 38.242 38.000 0.288 0.000 1.048 115 I HN 0.599 nan 8.210 nan 0.000 0.393 116 N N 1.259 119.999 118.700 0.067 0.000 2.591 116 N HA 0.321 5.061 4.740 -0.000 0.000 0.263 116 N C -2.605 172.880 175.510 -0.042 0.000 1.308 116 N CA -1.162 51.838 53.050 -0.082 0.000 0.837 116 N CB 2.380 40.671 38.487 -0.326 0.000 1.548 116 N HN -0.356 nan 8.380 nan 0.000 0.493 117 P HA -0.035 nan 4.420 nan 0.000 0.226 117 P C 0.338 177.553 177.300 -0.142 0.000 1.146 117 P CA 1.308 64.331 63.100 -0.129 0.000 0.773 117 P CB 0.299 31.938 31.700 -0.100 0.000 0.772 118 Q N -2.688 117.068 119.800 -0.074 0.000 2.127 118 Q HA 0.136 4.476 4.340 -0.000 0.000 0.222 118 Q C -0.844 174.946 176.000 -0.349 0.000 0.794 118 Q CA -0.082 55.590 55.803 -0.218 0.000 1.010 118 Q CB 0.587 29.147 28.738 -0.297 0.000 1.170 118 Q HN 0.182 nan 8.270 nan 0.000 0.479 119 Y N 0.217 120.506 120.300 -0.018 0.000 2.442 119 Y HA 0.424 4.974 4.550 -0.000 0.000 0.344 119 Y C -0.054 175.914 175.900 0.114 0.000 0.976 119 Y CA -1.288 56.862 58.100 0.083 0.000 1.040 119 Y CB 1.245 39.845 38.460 0.233 0.000 1.228 119 Y HN -0.004 nan 8.280 nan 0.000 0.451 120 I N 0.379 121.109 120.570 0.265 0.000 2.793 120 I HA 1.022 5.192 4.170 -0.000 0.000 0.313 120 I C -0.463 175.798 176.117 0.240 0.000 0.998 120 I CA -1.206 60.250 61.300 0.259 0.000 1.140 120 I CB 1.966 40.128 38.000 0.269 0.000 1.327 120 I HN 0.607 nan 8.210 nan 0.000 0.491 121 A N 2.637 125.597 122.820 0.233 0.000 2.343 121 A HA 0.796 5.116 4.320 -0.000 0.000 0.308 121 A C -0.396 177.280 177.584 0.154 0.000 1.092 121 A CA -0.279 51.870 52.037 0.187 0.000 0.751 121 A CB 1.520 20.729 19.000 0.347 0.000 1.203 121 A HN 0.900 nan 8.150 nan 0.000 0.452 122 S N 0.538 116.261 115.700 0.039 0.000 3.211 122 S HA 0.682 5.152 4.470 -0.000 0.000 0.320 122 S C -1.035 173.425 174.600 -0.232 0.000 1.225 122 S CA 0.338 58.543 58.200 0.009 0.000 1.044 122 S CB 0.558 63.828 63.200 0.118 0.000 1.410 122 S HN 1.998 nan 8.310 nan 0.000 0.640 123 V N 2.056 121.755 119.914 -0.359 0.000 2.532 123 V HA 0.630 4.750 4.120 -0.000 0.000 0.295 123 V C 1.271 176.859 176.094 -0.844 0.000 1.041 123 V CA 0.020 62.032 62.300 -0.480 0.000 0.926 123 V CB 1.179 32.724 31.823 -0.463 0.000 0.992 123 V HN 1.071 nan 8.190 nan 0.000 0.457 124 K N 2.896 122.945 120.400 -0.585 0.000 2.160 124 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 124 K C 1.715 178.213 176.600 -0.169 0.000 1.047 124 K CA 2.375 58.439 56.287 -0.372 0.000 0.930 124 K CB -0.327 32.113 32.500 -0.101 0.000 0.720 124 K HN 1.045 nan 8.250 nan 0.000 0.450 125 H N -1.689 117.302 119.070 -0.131 0.000 2.547 125 H HA 0.095 4.651 4.556 -0.000 0.000 0.266 125 H C -0.247 175.069 175.328 -0.020 0.000 0.988 125 H CA -0.107 55.909 56.048 -0.054 0.000 1.147 125 H CB -0.147 29.588 29.762 -0.045 0.000 1.365 125 H HN 0.045 nan 8.280 nan 0.000 0.589 126 N N 1.807 120.376 118.700 -0.219 0.000 2.895 126 N HA 0.064 4.804 4.740 -0.000 0.000 0.277 126 N C 1.092 176.721 175.510 0.198 0.000 1.185 126 N CA 0.258 53.304 53.050 -0.007 0.000 1.106 126 N CB 0.754 39.226 38.487 -0.026 0.000 1.422 126 N HN 0.605 nan 8.380 nan 0.000 0.521 127 G N -0.454 108.433 108.800 0.144 0.000 2.833 127 G HA2 0.016 3.976 3.960 -0.000 0.000 0.210 127 G HA3 0.016 3.976 3.960 -0.000 0.000 0.210 127 G C 1.280 176.225 174.900 0.076 0.000 1.139 127 G CA 0.131 45.300 45.100 0.114 0.000 0.771 127 G HN 0.491 nan 8.290 nan 0.000 0.535 128 G N 0.270 109.130 108.800 0.099 0.000 2.453 128 G HA2 0.136 4.096 3.960 -0.000 0.000 0.215 128 G HA3 0.136 4.096 3.960 -0.000 0.000 0.215 128 G C 0.748 175.675 174.900 0.046 0.000 1.147 128 G CA 0.182 45.316 45.100 0.057 0.000 0.802 128 G HN 0.547 nan 8.290 nan 0.000 0.535 129 Y N 1.243 121.507 120.300 -0.060 0.000 2.511 129 Y HA 0.420 4.970 4.550 -0.000 0.000 0.332 129 Y C 1.268 177.130 175.900 -0.063 0.000 1.177 129 Y CA -0.005 58.041 58.100 -0.089 0.000 1.422 129 Y CB 0.968 39.350 38.460 -0.130 0.000 1.271 129 Y HN -0.030 nan 8.280 nan 0.000 0.550 130 T N -0.269 114.207 114.554 -0.131 0.000 3.010 130 T HA 0.250 4.600 4.350 -0.000 0.000 0.257 130 T C -0.265 174.349 174.700 -0.143 0.000 1.020 130 T CA 0.172 62.152 62.100 -0.199 0.000 0.938 130 T CB -0.692 68.109 68.868 -0.111 0.000 1.049 130 T HN 0.893 nan 8.240 nan 0.000 0.522 131 N N -0.840 117.835 118.700 -0.042 0.000 2.732 131 N HA 0.652 5.392 4.740 -0.000 0.000 0.259 131 N C -1.966 173.587 175.510 0.072 0.000 1.402 131 N CA -0.981 52.074 53.050 0.008 0.000 0.829 131 N CB 2.097 40.577 38.487 -0.011 0.000 1.495 131 N HN -0.014 nan 8.380 nan 0.000 0.511 132 V N -0.414 119.531 119.914 0.051 0.000 3.147 132 V HA 0.744 4.864 4.120 -0.000 0.000 0.306 132 V C -1.047 174.964 176.094 -0.138 0.000 1.209 132 V CA -0.441 61.819 62.300 -0.067 0.000 1.023 132 V CB 2.405 34.221 31.823 -0.011 0.000 1.059 132 V HN 0.901 nan 8.190 nan 0.000 0.435 133 S N 2.056 117.534 115.700 -0.369 0.000 2.570 133 S HA 0.872 5.342 4.470 -0.000 0.000 0.286 133 S C -1.419 172.830 174.600 -0.584 0.000 1.099 133 S CA -0.332 57.711 58.200 -0.262 0.000 0.913 133 S CB 1.687 64.808 63.200 -0.132 0.000 1.085 133 S HN 0.438 nan 8.310 nan 0.000 0.480 134 F N 0.300 120.297 119.950 0.078 0.000 2.654 134 F HA 0.733 5.260 4.527 -0.000 0.000 0.334 134 F C 1.307 176.984 175.800 -0.204 0.000 1.078 134 F CA 0.237 58.214 58.000 -0.038 0.000 0.986 134 F CB 0.861 39.857 39.000 -0.007 0.000 1.362 134 F HN 0.821 nan 8.300 nan 0.000 0.498 135 G N 1.548 110.162 108.800 -0.309 0.000 2.815 135 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.326 135 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.326 135 G C 0.503 174.998 174.900 -0.675 0.000 1.191 135 G CA 0.884 45.221 45.100 -1.272 0.000 0.965 135 G HN 0.871 nan 8.290 nan 0.000 0.564 136 D N 1.019 121.267 120.400 -0.253 0.000 2.395 136 D HA 0.429 5.069 4.640 -0.000 0.000 0.213 136 D C 1.770 178.079 176.300 0.014 0.000 1.110 136 D CA 1.163 55.162 54.000 -0.002 0.000 0.835 136 D CB -0.066 40.837 40.800 0.172 0.000 0.965 136 D HN 2.061 nan 8.370 nan 0.000 0.505 137 G N 0.486 109.278 108.800 -0.014 0.000 2.199 137 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.254 137 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.254 137 G C 0.202 175.123 174.900 0.035 0.000 0.982 137 G CA -0.003 45.098 45.100 0.001 0.000 0.632 137 G HN 0.422 nan 8.290 nan 0.000 0.529 138 E N 1.336 121.577 120.200 0.069 0.000 1.979 138 E HA 0.417 4.767 4.350 -0.000 0.000 0.285 138 E C 0.332 176.970 176.600 0.064 0.000 1.188 138 E CA 0.344 56.787 56.400 0.071 0.000 1.214 138 E CB -0.344 29.415 29.700 0.098 0.000 1.210 138 E HN 0.820 nan 8.360 nan 0.000 0.477 139 N N 0.555 119.273 118.700 0.030 0.000 4.016 139 N HA 0.201 4.941 4.740 -0.000 0.000 0.227 139 N C -1.342 174.118 175.510 -0.083 0.000 1.337 139 N CA -1.003 52.034 53.050 -0.022 0.000 0.817 139 N CB 0.933 39.478 38.487 0.097 0.000 1.469 139 N HN 0.076 nan 8.380 nan 0.000 0.448 140 R N 0.056 120.388 120.500 -0.279 0.000 2.572 140 R HA 0.390 4.730 4.340 -0.000 0.000 0.273 140 R C -2.098 173.962 176.300 -0.399 0.000 1.168 140 R CA -0.535 55.438 56.100 -0.211 0.000 1.021 140 R CB 0.878 31.098 30.300 -0.134 0.000 1.249 140 R HN 0.673 nan 8.270 nan 0.000 0.423 141 Y N 2.513 122.850 120.300 0.062 0.000 2.350 141 Y HA 0.431 4.981 4.550 -0.000 0.000 0.338 141 Y C 0.055 175.961 175.900 0.010 0.000 0.961 141 Y CA -0.895 57.246 58.100 0.068 0.000 1.100 141 Y CB 1.967 40.532 38.460 0.175 0.000 1.179 141 Y HN 0.389 nan 8.280 nan 0.000 0.454 142 N N 3.648 122.394 118.700 0.077 0.000 2.473 142 N HA 0.425 5.165 4.740 -0.000 0.000 0.291 142 N C -0.650 174.841 175.510 -0.032 0.000 1.083 142 N CA -0.531 52.517 53.050 -0.004 0.000 0.951 142 N CB 2.025 40.489 38.487 -0.039 0.000 1.164 142 N HN 0.577 nan 8.380 nan 0.000 0.480 143 I N 1.360 121.874 120.570 -0.093 0.000 2.496 143 I HA 0.003 4.173 4.170 -0.000 0.000 0.285 143 I C 1.315 177.360 176.117 -0.120 0.000 1.080 143 I CA -0.142 61.073 61.300 -0.142 0.000 1.404 143 I CB 1.058 38.902 38.000 -0.260 0.000 1.403 143 I HN 0.259 nan 8.210 nan 0.000 0.539 144 V N 3.651 123.498 119.914 -0.111 0.000 3.570 144 V HA 0.152 4.272 4.120 -0.000 0.000 0.257 144 V C -0.251 175.798 176.094 -0.074 0.000 1.272 144 V CA 0.777 63.026 62.300 -0.084 0.000 1.079 144 V CB 0.409 32.183 31.823 -0.081 0.000 0.829 144 V HN 0.798 nan 8.190 nan 0.000 0.454 145 D N -0.876 119.472 120.400 -0.086 0.000 2.970 145 D HA 0.280 4.920 4.640 -0.000 0.000 0.230 145 D C 0.806 177.046 176.300 -0.100 0.000 1.276 145 D CA -0.499 53.465 54.000 -0.061 0.000 0.910 145 D CB 1.705 42.492 40.800 -0.021 0.000 1.590 145 D HN -0.030 nan 8.370 nan 0.000 0.551 146 R N 1.915 122.349 120.500 -0.109 0.000 2.237 146 R HA -0.003 4.337 4.340 -0.000 0.000 0.219 146 R C 0.224 176.462 176.300 -0.103 0.000 1.080 146 R CA 0.061 56.051 56.100 -0.184 0.000 0.995 146 R CB -0.338 29.889 30.300 -0.121 0.000 0.875 146 R HN 0.443 nan 8.270 nan 0.000 0.462 147 N N 1.901 120.615 118.700 0.022 0.000 2.708 147 N HA -0.155 4.585 4.740 -0.000 0.000 0.251 147 N C -1.016 174.680 175.510 0.310 0.000 1.017 147 N CA 0.825 53.959 53.050 0.140 0.000 0.742 147 N CB -1.280 37.271 38.487 0.108 0.000 0.943 147 N HN 0.301 nan 8.380 nan 0.000 0.539 148 N N 0.560 119.406 118.700 0.245 0.000 2.357 148 N HA 0.118 4.857 4.740 -0.000 0.000 0.257 148 N C 0.645 176.275 175.510 0.200 0.000 1.250 148 N CA 0.512 53.694 53.050 0.221 0.000 0.862 148 N CB 0.451 39.020 38.487 0.135 0.000 1.066 148 N HN 0.388 nan 8.380 nan 0.000 0.468 149 A N 3.991 126.754 122.820 -0.095 0.000 2.371 149 A HA 0.349 4.669 4.320 -0.000 0.000 0.257 149 A C -1.093 176.383 177.584 -0.180 0.000 1.089 149 A CA -1.003 50.702 52.037 -0.554 0.000 0.794 149 A CB 0.438 18.860 19.000 -0.963 0.000 1.029 149 A HN 0.515 nan 8.150 nan 0.000 0.488 150 P HA 0.024 nan 4.420 nan 0.000 0.226 150 P C 1.056 178.322 177.300 -0.056 0.000 1.161 150 P CA 1.035 64.108 63.100 -0.045 0.000 0.804 150 P CB 0.510 32.207 31.700 -0.004 0.000 0.829 151 S N -0.485 115.161 115.700 -0.092 0.000 2.510 151 S HA 0.102 4.571 4.470 -0.000 0.000 0.230 151 S C 0.833 175.391 174.600 -0.071 0.000 1.066 151 S CA -0.203 57.957 58.200 -0.067 0.000 0.941 151 S CB -0.654 62.510 63.200 -0.060 0.000 0.829 151 S HN 0.020 nan 8.310 nan 0.000 0.530 152 L N 3.059 124.215 121.223 -0.112 0.000 2.452 152 L HA 0.277 4.617 4.340 -0.000 0.000 0.267 152 L C -0.161 176.699 176.870 -0.016 0.000 1.188 152 L CA 0.062 54.855 54.840 -0.079 0.000 0.821 152 L CB 0.288 42.269 42.059 -0.129 0.000 1.102 152 L HN 0.015 nan 8.230 nan 0.000 0.470 153 D N 3.759 124.177 120.400 0.030 0.000 2.453 153 D HA 0.248 4.888 4.640 -0.000 0.000 0.223 153 D C -1.377 174.994 176.300 0.118 0.000 1.183 153 D CA 0.343 54.383 54.000 0.066 0.000 0.933 153 D CB -0.626 40.239 40.800 0.109 0.000 1.038 153 D HN 0.331 nan 8.370 nan 0.000 0.513 154 F N 3.709 123.580 119.950 -0.131 0.000 2.686 154 F HA 0.214 4.741 4.527 -0.000 0.000 0.315 154 F C -1.758 174.038 175.800 -0.007 0.000 1.088 154 F CA -0.654 57.283 58.000 -0.104 0.000 1.034 154 F CB 0.708 39.653 39.000 -0.092 0.000 1.280 154 F HN 0.392 nan 8.300 nan 0.000 0.463 155 H N 3.237 121.781 119.070 -0.876 0.000 2.985 155 H HA 0.900 5.456 4.556 -0.000 0.000 0.360 155 H C -1.726 173.228 175.328 -0.623 0.000 1.221 155 H CA -1.329 54.425 56.048 -0.489 0.000 1.121 155 H CB 2.240 31.910 29.762 -0.153 0.000 1.854 155 H HN 0.847 nan 8.280 nan 0.000 0.551 156 A N 2.598 125.415 122.820 -0.005 0.000 3.105 156 A HA 0.361 4.681 4.320 -0.000 0.000 0.336 156 A C -2.906 174.729 177.584 0.086 0.000 1.042 156 A CA -1.594 50.475 52.037 0.053 0.000 0.851 156 A CB -0.116 18.983 19.000 0.165 0.000 1.068 156 A HN 0.435 nan 8.150 nan 0.000 0.477 157 P HA 0.027 nan 4.420 nan 0.000 0.264 157 P C 0.031 177.316 177.300 -0.025 0.000 1.193 157 P CA 0.110 63.119 63.100 -0.152 0.000 0.763 157 P CB 0.343 31.836 31.700 -0.345 0.000 0.810 158 R N 4.134 124.588 120.500 -0.077 0.000 2.491 158 R HA 0.222 4.562 4.340 -0.000 0.000 0.283 158 R C -0.267 175.884 176.300 -0.248 0.000 1.072 158 R CA -0.270 55.620 56.100 -0.349 0.000 1.048 158 R CB -0.052 30.081 30.300 -0.277 0.000 0.983 158 R HN 0.444 nan 8.270 nan 0.000 0.450 159 L N 2.932 123.990 121.223 -0.275 0.000 2.431 159 L HA 0.175 4.515 4.340 -0.000 0.000 0.260 159 L C 1.463 178.267 176.870 -0.109 0.000 1.098 159 L CA -0.798 53.971 54.840 -0.117 0.000 0.800 159 L CB 0.935 42.982 42.059 -0.020 0.000 1.210 159 L HN 0.775 nan 8.230 nan 0.000 0.465 160 D N -0.601 119.776 120.400 -0.039 0.000 2.183 160 D HA -0.059 4.581 4.640 -0.000 0.000 0.203 160 D C 0.192 176.448 176.300 -0.073 0.000 0.969 160 D CA 1.268 55.233 54.000 -0.058 0.000 0.842 160 D CB 0.246 41.011 40.800 -0.058 0.000 0.957 160 D HN 0.227 nan 8.370 nan 0.000 0.484 161 K N -0.085 120.309 120.400 -0.011 0.000 2.480 161 K HA 0.425 4.745 4.320 -0.000 0.000 0.258 161 K C -0.335 176.268 176.600 0.006 0.000 0.990 161 K CA -0.874 55.349 56.287 -0.107 0.000 0.857 161 K CB 2.409 34.651 32.500 -0.430 0.000 1.384 161 K HN 0.003 nan 8.250 nan 0.000 0.446 162 L N 1.683 122.910 121.223 0.006 0.000 2.367 162 L HA 0.217 4.557 4.340 -0.000 0.000 0.275 162 L C 0.202 177.127 176.870 0.091 0.000 1.129 162 L CA -0.886 53.964 54.840 0.016 0.000 0.839 162 L CB 0.722 42.818 42.059 0.060 0.000 1.133 162 L HN 0.146 nan 8.230 nan 0.000 0.453 163 V N 2.588 122.358 119.914 -0.239 0.000 2.555 163 V HA 0.045 4.165 4.120 -0.000 0.000 0.286 163 V C 1.222 177.226 176.094 -0.151 0.000 1.044 163 V CA 0.346 62.354 62.300 -0.486 0.000 1.026 163 V CB 1.195 32.529 31.823 -0.816 0.000 0.981 163 V HN 1.020 nan 8.190 nan 0.000 0.480 164 T N 0.405 114.966 114.554 0.012 0.000 3.000 164 T HA 0.072 4.422 4.350 -0.000 0.000 0.248 164 T C 1.221 175.937 174.700 0.026 0.000 1.034 164 T CA 0.100 62.208 62.100 0.013 0.000 1.060 164 T CB 0.073 68.935 68.868 -0.010 0.000 0.983 164 T HN 0.526 nan 8.240 nan 0.000 0.482 165 E N 1.640 121.889 120.200 0.081 0.000 2.285 165 E HA 0.172 4.522 4.350 -0.000 0.000 0.194 165 E C 0.791 177.499 176.600 0.180 0.000 0.997 165 E CA 0.450 56.954 56.400 0.173 0.000 0.845 165 E CB 0.211 30.072 29.700 0.268 0.000 0.782 165 E HN 0.691 nan 8.360 nan 0.000 0.491 166 V N -3.321 116.606 119.914 0.021 0.000 2.971 166 V HA 0.812 4.932 4.120 -0.000 0.000 0.309 166 V C -0.509 175.534 176.094 -0.086 0.000 1.130 166 V CA -1.430 60.876 62.300 0.011 0.000 0.964 166 V CB 1.710 33.518 31.823 -0.025 0.000 1.029 166 V HN -0.057 nan 8.190 nan 0.000 0.427 167 A N 4.562 127.362 122.820 -0.033 0.000 2.425 167 A HA 0.795 5.115 4.320 -0.000 0.000 0.249 167 A C -2.076 175.479 177.584 -0.048 0.000 1.084 167 A CA -1.224 50.788 52.037 -0.041 0.000 0.781 167 A CB -0.257 18.741 19.000 -0.004 0.000 1.019 167 A HN 0.855 nan 8.150 nan 0.000 0.490 168 P HA 0.166 nan 4.420 nan 0.000 0.274 168 P C 0.125 177.465 177.300 0.066 0.000 1.231 168 P CA -0.055 63.037 63.100 -0.013 0.000 0.790 168 P CB 0.561 32.249 31.700 -0.021 0.000 0.951 169 T N 0.341 114.979 114.554 0.140 0.000 2.913 169 T HA 0.447 4.797 4.350 -0.000 0.000 0.297 169 T C 0.206 175.015 174.700 0.181 0.000 1.029 169 T CA -0.457 61.770 62.100 0.210 0.000 1.104 169 T CB -0.125 68.981 68.868 0.396 0.000 0.964 169 T HN 0.466 nan 8.240 nan 0.000 0.532 170 A N 3.619 126.544 122.820 0.176 0.000 2.407 170 A HA 0.544 4.864 4.320 -0.000 0.000 0.248 170 A C 0.604 178.290 177.584 0.170 0.000 1.082 170 A CA -0.314 51.811 52.037 0.146 0.000 0.785 170 A CB -0.090 18.980 19.000 0.117 0.000 1.020 170 A HN 1.282 nan 8.150 nan 0.000 0.489 171 V N 0.176 120.172 119.914 0.137 0.000 2.966 171 V HA 0.685 4.805 4.120 -0.000 0.000 0.317 171 V C 0.410 176.559 176.094 0.092 0.000 1.070 171 V CA -0.523 61.844 62.300 0.112 0.000 1.008 171 V CB 0.726 32.613 31.823 0.107 0.000 1.070 171 V HN 0.933 nan 8.190 nan 0.000 0.457 172 T N 2.282 116.874 114.554 0.062 0.000 2.897 172 T HA 0.197 4.547 4.350 -0.000 0.000 0.304 172 T C 1.214 175.980 174.700 0.110 0.000 1.051 172 T CA 0.672 62.828 62.100 0.094 0.000 1.132 172 T CB 0.639 69.570 68.868 0.105 0.000 1.066 172 T HN 1.388 nan 8.240 nan 0.000 0.518 173 A N 2.192 125.092 122.820 0.134 0.000 2.218 173 A HA 0.059 4.379 4.320 -0.000 0.000 0.209 173 A C 2.053 179.690 177.584 0.089 0.000 1.168 173 A CA 0.455 52.547 52.037 0.092 0.000 0.804 173 A CB -0.065 18.975 19.000 0.066 0.000 0.834 173 A HN 0.862 nan 8.150 nan 0.000 0.482 174 Q N -1.703 118.178 119.800 0.134 0.000 2.391 174 Q HA 0.280 4.620 4.340 -0.000 0.000 0.243 174 Q C 1.471 177.526 176.000 0.093 0.000 0.874 174 Q CA 0.296 56.159 55.803 0.101 0.000 0.950 174 Q CB 0.404 29.208 28.738 0.110 0.000 1.103 174 Q HN 0.672 nan 8.270 nan 0.000 0.544 175 G N 1.797 110.679 108.800 0.138 0.000 2.634 175 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.309 175 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.309 175 G C 0.393 175.368 174.900 0.125 0.000 1.265 175 G CA 0.257 45.417 45.100 0.101 0.000 0.998 175 G HN 0.535 nan 8.290 nan 0.000 0.551 176 A N -0.389 122.457 122.820 0.043 0.000 2.929 176 A HA 0.594 4.914 4.320 -0.000 0.000 0.279 176 A C 0.552 178.138 177.584 0.003 0.000 1.418 176 A CA 0.621 52.675 52.037 0.029 0.000 1.035 176 A CB -0.250 18.733 19.000 -0.029 0.000 1.047 176 A HN 1.367 nan 8.150 nan 0.000 0.609 177 V N 1.575 121.477 119.914 -0.020 0.000 2.427 177 V HA 0.359 4.479 4.120 -0.000 0.000 0.268 177 V C 1.055 177.092 176.094 -0.094 0.000 1.046 177 V CA -0.251 62.010 62.300 -0.066 0.000 0.970 177 V CB 0.325 32.094 31.823 -0.091 0.000 1.001 177 V HN 0.666 nan 8.190 nan 0.000 0.476 178 A N 4.534 127.323 122.820 -0.052 0.000 2.540 178 A HA 0.482 4.802 4.320 -0.000 0.000 0.239 178 A C 1.634 179.188 177.584 -0.050 0.000 1.061 178 A CA 0.624 52.641 52.037 -0.033 0.000 0.758 178 A CB -0.380 18.614 19.000 -0.010 0.000 0.991 178 A HN 2.092 nan 8.150 nan 0.000 0.502 179 G N 1.013 109.793 108.800 -0.032 0.000 2.212 179 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.266 179 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.266 179 G C 1.269 176.110 174.900 -0.099 0.000 0.978 179 G CA 1.255 46.336 45.100 -0.033 0.000 0.632 179 G HN 2.061 nan 8.290 nan 0.000 0.537 180 A N -0.523 122.131 122.820 -0.277 0.000 2.070 180 A HA 0.234 4.554 4.320 -0.000 0.000 0.220 180 A C 1.685 179.092 177.584 -0.295 0.000 1.159 180 A CA 1.836 53.642 52.037 -0.385 0.000 0.656 180 A CB -0.402 18.254 19.000 -0.574 0.000 0.800 180 A HN 0.871 nan 8.150 nan 0.000 0.453 181 Y N -1.484 118.911 120.300 0.157 0.000 2.532 181 Y HA 0.288 4.838 4.550 -0.000 0.000 0.283 181 Y C 1.036 177.027 175.900 0.152 0.000 1.181 181 Y CA -0.478 57.730 58.100 0.180 0.000 1.256 181 Y CB 0.384 38.825 38.460 -0.033 0.000 1.112 181 Y HN 0.145 nan 8.280 nan 0.000 0.521 182 L N -0.602 120.737 121.223 0.194 0.000 2.638 182 L HA 0.105 4.445 4.340 -0.000 0.000 0.232 182 L C 0.241 177.214 176.870 0.172 0.000 1.099 182 L CA 0.289 55.223 54.840 0.157 0.000 0.883 182 L CB -0.073 42.041 42.059 0.090 0.000 1.136 182 L HN 0.029 nan 8.230 nan 0.000 0.492 183 D N 0.340 120.851 120.400 0.186 0.000 2.348 183 D HA 0.001 4.641 4.640 -0.000 0.000 0.259 183 D C 1.078 177.484 176.300 0.176 0.000 1.296 183 D CA 0.377 54.455 54.000 0.130 0.000 0.931 183 D CB 0.918 41.748 40.800 0.050 0.000 1.067 183 D HN 0.019 nan 8.370 nan 0.000 0.503 184 K N 2.042 122.527 120.400 0.142 0.000 2.228 184 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 184 K C 1.610 178.246 176.600 0.060 0.000 1.051 184 K CA 0.646 57.021 56.287 0.146 0.000 0.960 184 K CB 0.312 32.896 32.500 0.141 0.000 0.743 184 K HN 0.457 nan 8.250 nan 0.000 0.458 185 E N 0.230 120.436 120.200 0.010 0.000 2.110 185 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 185 E C 2.041 178.569 176.600 -0.119 0.000 0.988 185 E CA 1.079 57.456 56.400 -0.038 0.000 0.804 185 E CB 0.056 29.729 29.700 -0.046 0.000 0.745 185 E HN 0.202 nan 8.360 nan 0.000 0.458 186 R N -0.168 120.201 120.500 -0.217 0.000 2.087 186 R HA -0.005 4.335 4.340 -0.000 0.000 0.216 186 R C 0.152 176.092 176.300 -0.600 0.000 1.114 186 R CA 0.666 56.455 56.100 -0.519 0.000 1.002 186 R CB 0.364 30.184 30.300 -0.799 0.000 0.903 186 R HN 0.073 nan 8.270 nan 0.000 0.445 187 Y N 0.602 120.880 120.300 -0.037 0.000 2.863 187 Y HA 0.372 4.922 4.550 -0.000 0.000 0.348 187 Y C -1.902 173.997 175.900 -0.001 0.000 1.028 187 Y CA -2.596 55.439 58.100 -0.109 0.000 1.213 187 Y CB 1.721 40.157 38.460 -0.040 0.000 1.120 187 Y HN 0.173 nan 8.280 nan 0.000 0.598 188 P HA -0.104 nan 4.420 nan 0.000 0.217 188 P C 0.274 177.672 177.300 0.163 0.000 1.151 188 P CA 0.965 64.141 63.100 0.127 0.000 0.828 188 P CB 1.061 32.807 31.700 0.076 0.000 0.788 189 V N -1.096 118.828 119.914 0.016 0.000 3.007 189 V HA 0.545 4.665 4.120 -0.000 0.000 0.311 189 V C -1.643 174.397 176.094 -0.089 0.000 1.120 189 V CA -1.076 61.294 62.300 0.117 0.000 0.980 189 V CB 2.238 34.160 31.823 0.165 0.000 1.033 189 V HN -0.249 nan 8.190 nan 0.000 0.429 190 F N 5.199 125.314 119.950 0.275 0.000 2.518 190 F HA 0.710 5.237 4.527 -0.000 0.000 0.323 190 F C -0.890 175.243 175.800 0.556 0.000 1.129 190 F CA -0.549 57.626 58.000 0.291 0.000 0.920 190 F CB 1.815 40.864 39.000 0.083 0.000 1.160 190 F HN 0.353 nan 8.300 nan 0.000 0.440 191 Y N 1.543 122.196 120.300 0.588 0.000 2.549 191 Y HA 0.818 5.368 4.550 -0.000 0.000 0.339 191 Y C -0.170 175.980 175.900 0.416 0.000 1.053 191 Y CA -2.014 56.394 58.100 0.513 0.000 1.105 191 Y CB 2.091 40.914 38.460 0.607 0.000 1.258 191 Y HN 0.623 nan 8.280 nan 0.000 0.478 192 R N 1.503 122.289 120.500 0.476 0.000 2.710 192 R HA 0.909 5.249 4.340 -0.000 0.000 0.270 192 R C -2.270 174.099 176.300 0.115 0.000 1.021 192 R CA -1.011 55.252 56.100 0.272 0.000 0.889 192 R CB 1.902 32.350 30.300 0.246 0.000 1.243 192 R HN 0.681 nan 8.270 nan 0.000 0.464 193 L N -1.580 119.647 121.223 0.006 0.000 2.518 193 L HA 1.032 5.372 4.340 -0.000 0.000 0.257 193 L C -0.712 176.135 176.870 -0.038 0.000 0.980 193 L CA -0.635 54.163 54.840 -0.070 0.000 0.837 193 L CB 2.435 44.337 42.059 -0.263 0.000 1.410 193 L HN 1.019 nan 8.230 nan 0.000 0.410 194 G N -0.229 108.544 108.800 -0.046 0.000 2.451 194 G HA2 0.445 4.405 3.960 -0.000 0.000 0.292 194 G HA3 0.445 4.405 3.960 -0.000 0.000 0.292 194 G C -0.607 174.245 174.900 -0.079 0.000 1.427 194 G CA -0.025 45.044 45.100 -0.052 0.000 0.792 194 G HN 1.069 nan 8.290 nan 0.000 0.498 195 S N -0.601 115.045 115.700 -0.090 0.000 2.651 195 S HA 0.515 4.985 4.470 -0.000 0.000 0.246 195 S C 1.115 175.535 174.600 -0.301 0.000 1.039 195 S CA 0.479 58.581 58.200 -0.163 0.000 1.013 195 S CB 0.296 63.463 63.200 -0.056 0.000 0.861 195 S HN 1.579 nan 8.310 nan 0.000 0.485 196 G N 1.534 110.164 108.800 -0.284 0.000 2.670 196 G HA2 0.265 4.225 3.960 -0.000 0.000 0.233 196 G HA3 0.265 4.225 3.960 -0.000 0.000 0.233 196 G C 0.070 174.689 174.900 -0.469 0.000 1.251 196 G CA -0.170 44.707 45.100 -0.372 0.000 0.849 196 G HN 0.371 nan 8.290 nan 0.000 0.588 197 T N 2.047 116.305 114.554 -0.493 0.000 2.777 197 T HA 0.004 4.354 4.350 -0.000 0.000 0.273 197 T C 0.340 174.682 174.700 -0.597 0.000 1.016 197 T CA 0.754 62.521 62.100 -0.554 0.000 1.156 197 T CB 0.143 68.726 68.868 -0.475 0.000 1.019 197 T HN 0.420 nan 8.240 nan 0.000 0.503 198 Q N 2.866 122.263 119.800 -0.671 0.000 2.325 198 Q HA 0.388 4.727 4.340 -0.000 0.000 0.262 198 Q C -1.046 174.710 176.000 -0.407 0.000 0.968 198 Q CA -0.296 55.248 55.803 -0.432 0.000 0.877 198 Q CB 1.423 29.967 28.738 -0.324 0.000 1.253 198 Q HN 0.648 nan 8.270 nan 0.000 0.448 199 Y N 1.010 121.294 120.300 -0.027 0.000 2.536 199 Y HA 0.522 5.072 4.550 -0.000 0.000 0.347 199 Y C 0.247 176.130 175.900 -0.029 0.000 1.000 199 Y CA -1.345 56.735 58.100 -0.032 0.000 1.051 199 Y CB 1.487 39.927 38.460 -0.033 0.000 1.259 199 Y HN 0.514 nan 8.280 nan 0.000 0.468 200 I N -0.372 120.282 120.570 0.140 0.000 2.460 200 I HA 0.641 4.811 4.170 -0.000 0.000 0.298 200 I C -0.782 175.372 176.117 0.062 0.000 0.989 200 I CA -0.934 60.406 61.300 0.067 0.000 1.173 200 I CB 1.785 39.807 38.000 0.037 0.000 1.338 200 I HN 0.486 nan 8.210 nan 0.000 0.456 201 K N 4.388 124.809 120.400 0.034 0.000 2.339 201 K HA 0.279 4.599 4.320 -0.000 0.000 0.264 201 K C -0.608 176.125 176.600 0.221 0.000 0.986 201 K CA -0.596 55.731 56.287 0.068 0.000 0.866 201 K CB 0.826 33.342 32.500 0.026 0.000 1.103 201 K HN 0.892 nan 8.250 nan 0.000 0.441 202 D N 1.893 122.411 120.400 0.197 0.000 2.346 202 D HA -0.093 4.547 4.640 -0.000 0.000 0.249 202 D C 0.818 177.258 176.300 0.233 0.000 1.308 202 D CA 0.016 54.168 54.000 0.254 0.000 0.987 202 D CB 0.602 41.466 40.800 0.106 0.000 1.114 202 D HN 0.361 nan 8.370 nan 0.000 0.529 203 S N -1.535 114.100 115.700 -0.108 0.000 2.503 203 S HA -0.020 4.450 4.470 -0.000 0.000 0.217 203 S C 0.957 175.366 174.600 -0.317 0.000 0.999 203 S CA -0.304 57.512 58.200 -0.640 0.000 0.914 203 S CB -0.402 62.220 63.200 -0.963 0.000 0.782 203 S HN 0.456 nan 8.310 nan 0.000 0.520 204 N N 1.767 120.375 118.700 -0.152 0.000 2.434 204 N HA 0.175 4.915 4.740 -0.000 0.000 0.196 204 N C 1.222 176.692 175.510 -0.066 0.000 1.183 204 N CA 0.784 53.775 53.050 -0.100 0.000 0.849 204 N CB 0.230 38.675 38.487 -0.070 0.000 0.992 204 N HN 0.706 nan 8.380 nan 0.000 0.460 205 G N 0.888 109.663 108.800 -0.042 0.000 2.179 205 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 205 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 205 G C 0.170 175.053 174.900 -0.029 0.000 0.977 205 G CA 0.378 45.468 45.100 -0.017 0.000 0.641 205 G HN 0.491 nan 8.290 nan 0.000 0.533 206 Q N 0.207 119.994 119.800 -0.021 0.000 2.354 206 Q HA 0.698 5.038 4.340 -0.000 0.000 0.244 206 Q C 0.205 176.184 176.000 -0.034 0.000 0.969 206 Q CA -0.216 55.566 55.803 -0.036 0.000 0.885 206 Q CB 0.546 29.269 28.738 -0.024 0.000 1.241 206 Q HN 0.462 nan 8.270 nan 0.000 0.461 207 L N 2.279 123.454 121.223 -0.080 0.000 2.342 207 L HA 0.660 5.000 4.340 -0.000 0.000 0.271 207 L C -0.601 176.251 176.870 -0.029 0.000 1.008 207 L CA -0.873 53.904 54.840 -0.104 0.000 0.818 207 L CB 2.462 44.317 42.059 -0.340 0.000 1.296 207 L HN 0.713 nan 8.230 nan 0.000 0.427 208 T N 0.282 114.875 114.554 0.064 0.000 2.861 208 T HA 0.306 4.656 4.350 -0.000 0.000 0.287 208 T C -0.567 174.301 174.700 0.280 0.000 1.003 208 T CA -0.824 61.346 62.100 0.116 0.000 0.977 208 T CB 1.999 70.899 68.868 0.053 0.000 0.996 208 T HN 0.365 nan 8.240 nan 0.000 0.448 209 K N 3.022 123.586 120.400 0.273 0.000 2.284 209 K HA 0.276 4.596 4.320 -0.000 0.000 0.287 209 K C 0.879 177.493 176.600 0.024 0.000 1.081 209 K CA -0.518 55.880 56.287 0.185 0.000 0.910 209 K CB 0.314 32.913 32.500 0.165 0.000 1.088 209 K HN 0.472 nan 8.250 nan 0.000 0.478 210 M N 1.913 121.491 119.600 -0.037 0.000 2.516 210 M HA 0.223 4.703 4.480 -0.000 0.000 0.259 210 M C 0.728 177.120 176.300 0.153 0.000 1.146 210 M CA 0.251 55.566 55.300 0.026 0.000 1.122 210 M CB 0.644 33.220 32.600 -0.040 0.000 1.341 210 M HN 0.709 nan 8.290 nan 0.000 0.478 211 G N -0.800 107.960 108.800 -0.066 0.000 2.519 211 G HA2 0.491 4.451 3.960 -0.000 0.000 0.292 211 G HA3 0.491 4.451 3.960 -0.000 0.000 0.292 211 G C -0.626 174.017 174.900 -0.428 0.000 1.507 211 G CA -0.465 44.520 45.100 -0.192 0.000 0.806 211 G HN 0.253 nan 8.290 nan 0.000 0.523 212 G N -0.660 107.938 108.800 -0.337 0.000 2.683 212 G HA2 0.648 4.608 3.960 -0.000 0.000 0.260 212 G HA3 0.648 4.608 3.960 -0.000 0.000 0.260 212 G C 0.734 175.343 174.900 -0.486 0.000 1.238 212 G CA 0.605 45.490 45.100 -0.358 0.000 0.934 212 G HN 1.621 nan 8.290 nan 0.000 0.534 213 A N -1.708 120.813 122.820 -0.498 0.000 2.332 213 A HA 0.546 4.866 4.320 -0.000 0.000 0.258 213 A C -0.131 177.129 177.584 -0.541 0.000 1.087 213 A CA -0.118 51.490 52.037 -0.714 0.000 0.802 213 A CB -0.202 18.161 19.000 -1.061 0.000 1.042 213 A HN 1.351 nan 8.150 nan 0.000 0.489 214 Y N 0.368 120.508 120.300 -0.268 0.000 4.272 214 Y HA -0.225 4.325 4.550 -0.000 0.000 0.232 214 Y C 1.560 177.353 175.900 -0.179 0.000 1.149 214 Y CA 0.558 58.538 58.100 -0.200 0.000 1.961 214 Y CB -2.556 35.817 38.460 -0.144 0.000 1.611 214 Y HN 0.508 nan 8.280 nan 0.000 0.682 215 S N -2.160 113.427 115.700 -0.187 0.000 2.460 215 S HA 0.243 4.713 4.470 -0.000 0.000 0.226 215 S C 0.233 174.910 174.600 0.127 0.000 1.057 215 S CA 0.770 58.929 58.200 -0.067 0.000 0.948 215 S CB 0.623 63.740 63.200 -0.138 0.000 0.822 215 S HN 0.588 nan 8.310 nan 0.000 0.512 216 W N -0.179 121.109 121.300 -0.019 0.000 3.153 216 W HA 0.666 5.326 4.660 -0.000 0.000 0.316 216 W C -2.284 174.217 176.519 -0.029 0.000 1.255 216 W CA -1.155 56.173 57.345 -0.028 0.000 1.192 216 W CB 0.046 29.490 29.460 -0.026 0.000 1.400 216 W HN -0.209 nan 8.180 nan 0.000 0.568 217 L N 3.193 124.556 121.223 0.233 0.000 2.350 217 L HA 0.710 5.050 4.340 -0.000 0.000 0.275 217 L C 0.755 177.757 176.870 0.221 0.000 1.099 217 L CA -0.388 54.526 54.840 0.123 0.000 0.808 217 L CB 1.341 43.446 42.059 0.076 0.000 1.149 217 L HN 0.615 nan 8.230 nan 0.000 0.442 218 T N -0.574 114.036 114.554 0.093 0.000 2.924 218 T HA 0.891 5.241 4.350 -0.000 0.000 0.291 218 T C -0.238 174.466 174.700 0.007 0.000 1.045 218 T CA -0.684 61.452 62.100 0.060 0.000 1.015 218 T CB 2.230 71.091 68.868 -0.012 0.000 1.103 218 T HN 0.762 nan 8.240 nan 0.000 0.496 219 G N -1.372 107.433 108.800 0.008 0.000 2.684 219 G HA2 0.823 4.783 3.960 -0.000 0.000 0.290 219 G HA3 0.823 4.783 3.960 -0.000 0.000 0.290 219 G C -0.505 174.103 174.900 -0.487 0.000 1.425 219 G CA -0.284 44.781 45.100 -0.058 0.000 0.822 219 G HN 1.433 nan 8.290 nan 0.000 0.482 220 G N -1.313 107.025 108.800 -0.770 0.000 2.360 220 G HA2 0.664 4.624 3.960 -0.000 0.000 0.276 220 G HA3 0.664 4.624 3.960 -0.000 0.000 0.276 220 G C -0.454 174.214 174.900 -0.387 0.000 1.256 220 G CA 0.716 45.227 45.100 -0.980 0.000 0.890 220 G HN 1.618 nan 8.290 nan 0.000 0.486 221 T N -2.422 112.053 114.554 -0.132 0.000 2.940 221 T HA 0.794 5.144 4.350 -0.000 0.000 0.288 221 T C -0.882 173.931 174.700 0.188 0.000 1.033 221 T CA -0.846 61.345 62.100 0.152 0.000 1.033 221 T CB 2.092 71.072 68.868 0.186 0.000 1.079 221 T HN 1.184 nan 8.240 nan 0.000 0.496 222 V N 0.643 120.720 119.914 0.272 0.000 2.888 222 V HA 0.726 4.846 4.120 -0.000 0.000 0.309 222 V C 0.861 177.059 176.094 0.174 0.000 1.114 222 V CA -0.621 61.795 62.300 0.194 0.000 0.940 222 V CB 2.164 34.079 31.823 0.154 0.000 1.021 222 V HN 1.341 nan 8.190 nan 0.000 0.426 223 G N 2.094 110.958 108.800 0.107 0.000 2.667 223 G HA2 0.330 4.290 3.960 -0.000 0.000 0.250 223 G HA3 0.330 4.290 3.960 -0.000 0.000 0.250 223 G C 0.289 175.141 174.900 -0.080 0.000 1.212 223 G CA -0.107 45.040 45.100 0.078 0.000 0.874 223 G HN 0.740 nan 8.290 nan 0.000 0.561 224 S N -1.202 114.484 115.700 -0.023 0.000 2.559 224 S HA 0.167 4.637 4.470 -0.000 0.000 0.282 224 S C 0.010 174.462 174.600 -0.247 0.000 1.336 224 S CA 0.194 58.293 58.200 -0.168 0.000 1.037 224 S CB 0.285 63.530 63.200 0.075 0.000 0.853 224 S HN 0.382 nan 8.310 nan 0.000 0.523 225 L N 2.117 123.132 121.223 -0.346 0.000 2.365 225 L HA 0.484 4.824 4.340 -0.000 0.000 0.273 225 L C 0.110 176.979 176.870 -0.002 0.000 1.000 225 L CA -0.433 54.292 54.840 -0.190 0.000 0.819 225 L CB 2.037 43.890 42.059 -0.343 0.000 1.284 225 L HN 0.652 nan 8.230 nan 0.000 0.418 226 S N 0.380 116.119 115.700 0.066 0.000 2.508 226 S HA 0.670 5.140 4.470 -0.000 0.000 0.284 226 S C -0.056 174.651 174.600 0.179 0.000 1.192 226 S CA -0.772 57.494 58.200 0.110 0.000 1.070 226 S CB 1.303 64.560 63.200 0.095 0.000 1.004 226 S HN 0.515 nan 8.310 nan 0.000 0.493 227 S N 2.194 117.988 115.700 0.158 0.000 2.593 227 S HA 0.559 5.029 4.470 -0.000 0.000 0.269 227 S C -0.337 174.414 174.600 0.251 0.000 1.334 227 S CA -0.488 57.805 58.200 0.156 0.000 1.015 227 S CB -0.119 63.129 63.200 0.078 0.000 0.912 227 S HN 0.947 nan 8.310 nan 0.000 0.541 228 Y N -1.563 118.764 120.300 0.046 0.000 2.967 228 Y HA 0.509 5.059 4.550 -0.000 0.000 0.311 228 Y C -0.308 175.606 175.900 0.023 0.000 1.555 228 Y CA -1.503 56.615 58.100 0.029 0.000 1.084 228 Y CB 0.087 38.562 38.460 0.025 0.000 1.508 228 Y HN 0.492 nan 8.280 nan 0.000 0.457 229 Q N 2.185 121.994 119.800 0.015 0.000 2.388 229 Q HA -0.306 4.034 4.340 -0.000 0.000 0.346 229 Q C -0.356 175.609 176.000 -0.060 0.000 1.319 229 Q CA 1.210 56.985 55.803 -0.048 0.000 1.023 229 Q CB -1.456 27.187 28.738 -0.160 0.000 1.247 229 Q HN 0.798 nan 8.270 nan 0.000 0.411 230 N N -2.599 116.093 118.700 -0.014 0.000 2.741 230 N HA -0.303 4.437 4.740 -0.000 0.000 0.251 230 N C 0.693 176.183 175.510 -0.034 0.000 1.112 230 N CA 0.998 54.038 53.050 -0.017 0.000 0.750 230 N CB -1.081 37.393 38.487 -0.021 0.000 1.119 230 N HN 0.841 nan 8.380 nan 0.000 0.561 231 G N -0.283 108.489 108.800 -0.048 0.000 2.259 231 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 231 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 231 G C 0.592 175.454 174.900 -0.063 0.000 1.001 231 G CA 0.457 45.534 45.100 -0.037 0.000 0.627 231 G HN 0.474 nan 8.290 nan 0.000 0.501 232 E N -0.369 119.756 120.200 -0.125 0.000 2.274 232 E HA 0.162 4.512 4.350 -0.000 0.000 0.194 232 E C 0.825 177.301 176.600 -0.207 0.000 0.996 232 E CA 0.596 56.907 56.400 -0.149 0.000 0.840 232 E CB 0.005 29.614 29.700 -0.151 0.000 0.772 232 E HN 0.393 nan 8.360 nan 0.000 0.491 233 M N 0.617 120.008 119.600 -0.349 0.000 2.530 233 M HA 0.449 4.929 4.480 -0.000 0.000 0.307 233 M C -0.261 175.855 176.300 -0.307 0.000 1.161 233 M CA -0.851 54.159 55.300 -0.483 0.000 0.903 233 M CB 1.931 33.823 32.600 -1.180 0.000 1.711 233 M HN -0.080 nan 8.290 nan 0.000 0.451 234 I N -0.910 119.659 120.570 -0.001 0.000 3.002 234 I HA 0.966 5.136 4.170 -0.000 0.000 0.310 234 I C -0.384 175.994 176.117 0.434 0.000 1.087 234 I CA -0.721 60.700 61.300 0.202 0.000 1.017 234 I CB 2.369 40.441 38.000 0.120 0.000 1.226 234 I HN 0.754 nan 8.210 nan 0.000 0.443 235 S N 1.678 117.610 115.700 0.387 0.000 2.611 235 S HA 0.739 5.209 4.470 -0.000 0.000 0.268 235 S C -1.022 173.733 174.600 0.258 0.000 1.156 235 S CA -0.359 58.086 58.200 0.408 0.000 0.817 235 S CB 2.158 65.550 63.200 0.320 0.000 1.122 235 S HN 1.084 nan 8.310 nan 0.000 0.466 236 T N 0.817 115.548 114.554 0.294 0.000 2.802 236 T HA 0.612 4.962 4.350 -0.000 0.000 0.311 236 T C -1.490 173.318 174.700 0.179 0.000 1.405 236 T CA -0.141 62.065 62.100 0.178 0.000 1.016 236 T CB 1.450 70.382 68.868 0.106 0.000 1.352 236 T HN 1.418 nan 8.240 nan 0.000 0.498 237 S N 1.772 117.541 115.700 0.115 0.000 2.473 237 S HA 0.412 4.882 4.470 -0.000 0.000 0.312 237 S C 0.995 175.659 174.600 0.107 0.000 1.087 237 S CA -0.061 58.193 58.200 0.091 0.000 1.077 237 S CB 0.549 63.774 63.200 0.041 0.000 1.065 237 S HN 0.772 nan 8.310 nan 0.000 0.510 238 S N 2.080 117.888 115.700 0.179 0.000 2.549 238 S HA 0.252 4.722 4.470 -0.000 0.000 0.225 238 S C 1.744 176.462 174.600 0.196 0.000 1.039 238 S CA 0.196 58.528 58.200 0.220 0.000 0.942 238 S CB -0.460 62.952 63.200 0.354 0.000 0.881 238 S HN 0.726 nan 8.310 nan 0.000 0.503 239 G N 2.025 110.870 108.800 0.076 0.000 2.498 239 G HA2 0.075 4.035 3.960 -0.000 0.000 0.219 239 G HA3 0.075 4.035 3.960 -0.000 0.000 0.219 239 G C 0.626 175.374 174.900 -0.254 0.000 1.119 239 G CA 0.239 45.044 45.100 -0.492 0.000 0.766 239 G HN 0.541 nan 8.290 nan 0.000 0.552 240 L N 2.459 123.622 121.223 -0.100 0.000 2.382 240 L HA 0.108 4.448 4.340 -0.000 0.000 0.259 240 L C 1.595 178.421 176.870 -0.074 0.000 1.291 240 L CA -0.651 54.157 54.840 -0.053 0.000 1.176 240 L CB 0.755 42.805 42.059 -0.016 0.000 1.373 240 L HN 0.126 nan 8.230 nan 0.000 0.426 241 V N -2.792 117.043 119.914 -0.132 0.000 3.461 241 V HA -0.066 4.054 4.120 -0.000 0.000 0.267 241 V C 1.531 177.297 176.094 -0.547 0.000 1.186 241 V CA 0.762 62.879 62.300 -0.305 0.000 1.154 241 V CB -0.781 30.836 31.823 -0.343 0.000 0.802 241 V HN 0.447 nan 8.190 nan 0.000 0.474 242 F N 0.538 120.349 119.950 -0.232 0.000 2.698 242 F HA 0.321 4.848 4.527 -0.000 0.000 0.295 242 F C 1.245 176.813 175.800 -0.386 0.000 1.124 242 F CA 0.213 58.033 58.000 -0.300 0.000 1.426 242 F CB 0.113 39.048 39.000 -0.109 0.000 1.120 242 F HN 0.154 nan 8.300 nan 0.000 0.583 243 D N -0.192 120.136 120.400 -0.119 0.000 2.483 243 D HA -0.022 4.618 4.640 -0.000 0.000 0.220 243 D C 0.630 176.863 176.300 -0.112 0.000 1.173 243 D CA -0.046 53.920 54.000 -0.058 0.000 0.964 243 D CB -0.119 40.691 40.800 0.017 0.000 1.046 243 D HN 0.203 nan 8.370 nan 0.000 0.517 244 Y N 2.032 122.376 120.300 0.074 0.000 2.483 244 Y HA -0.124 4.426 4.550 -0.000 0.000 0.291 244 Y C 2.239 178.174 175.900 0.059 0.000 1.143 244 Y CA 0.599 58.728 58.100 0.048 0.000 1.289 244 Y CB -0.034 38.433 38.460 0.012 0.000 0.983 244 Y HN 0.231 nan 8.280 nan 0.000 0.556 245 K N 0.364 120.877 120.400 0.188 0.000 2.076 245 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 245 K C 1.773 178.446 176.600 0.123 0.000 1.051 245 K CA 0.823 57.199 56.287 0.148 0.000 0.949 245 K CB -0.584 31.991 32.500 0.126 0.000 0.726 245 K HN 0.213 nan 8.250 nan 0.000 0.443 246 L N 0.966 122.249 121.223 0.100 0.000 2.022 246 L HA 0.044 4.384 4.340 -0.000 0.000 0.204 246 L C 1.142 178.074 176.870 0.103 0.000 1.076 246 L CA 1.827 56.720 54.840 0.088 0.000 0.749 246 L CB -0.735 41.361 42.059 0.062 0.000 0.903 246 L HN 0.194 nan 8.230 nan 0.000 0.439 247 N N 0.044 118.796 118.700 0.085 0.000 2.336 247 N HA 0.232 4.972 4.740 -0.000 0.000 0.189 247 N C 0.646 176.240 175.510 0.140 0.000 1.113 247 N CA 0.827 53.935 53.050 0.097 0.000 0.858 247 N CB 0.319 38.834 38.487 0.047 0.000 0.970 247 N HN 0.496 nan 8.380 nan 0.000 0.471 248 G N 0.140 109.040 108.800 0.167 0.000 2.685 248 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.387 248 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.387 248 G C 0.626 175.667 174.900 0.235 0.000 1.324 248 G CA -0.225 45.000 45.100 0.210 0.000 0.878 248 G HN 0.240 nan 8.290 nan 0.000 0.527 249 A N -0.681 122.256 122.820 0.196 0.000 2.125 249 A HA 0.352 4.672 4.320 -0.000 0.000 0.219 249 A C 1.559 179.255 177.584 0.186 0.000 1.156 249 A CA 2.235 54.364 52.037 0.154 0.000 0.671 249 A CB -0.239 18.764 19.000 0.005 0.000 0.794 249 A HN 1.004 nan 8.150 nan 0.000 0.459 250 M N -0.379 119.289 119.600 0.113 0.000 3.269 250 M HA 0.227 4.707 4.480 -0.000 0.000 0.340 250 M C -2.927 173.445 176.300 0.119 0.000 1.662 250 M CA -1.709 53.636 55.300 0.076 0.000 0.547 250 M CB 1.843 34.313 32.600 -0.216 0.000 1.449 250 M HN -0.156 nan 8.290 nan 0.000 0.459 251 P HA 0.120 nan 4.420 nan 0.000 0.266 251 P C -0.889 176.401 177.300 -0.017 0.000 1.186 251 P CA 0.413 63.509 63.100 -0.007 0.000 0.767 251 P CB 0.748 32.364 31.700 -0.140 0.000 0.820 252 I N 2.585 123.151 120.570 -0.006 0.000 2.775 252 I HA 0.509 4.679 4.170 -0.000 0.000 0.295 252 I C -1.896 174.270 176.117 0.081 0.000 1.287 252 I CA -1.120 60.149 61.300 -0.053 0.000 1.029 252 I CB 1.672 39.605 38.000 -0.112 0.000 1.282 252 I HN 0.236 nan 8.210 nan 0.000 0.426 253 Y N 5.908 126.159 120.300 -0.082 0.000 2.391 253 Y HA 0.772 5.322 4.550 -0.000 0.000 0.341 253 Y C -0.124 175.744 175.900 -0.053 0.000 0.965 253 Y CA -0.677 57.400 58.100 -0.039 0.000 1.067 253 Y CB 2.005 40.432 38.460 -0.055 0.000 1.199 253 Y HN 0.605 nan 8.280 nan 0.000 0.450 254 G N 4.971 113.403 108.800 -0.614 0.000 2.390 254 G HA2 0.471 4.431 3.960 -0.000 0.000 0.270 254 G HA3 0.471 4.431 3.960 -0.000 0.000 0.270 254 G C -0.721 173.768 174.900 -0.685 0.000 1.211 254 G CA -0.353 44.431 45.100 -0.527 0.000 0.842 254 G HN 0.620 nan 8.290 nan 0.000 0.519 255 E N 0.076 120.055 120.200 -0.368 0.000 2.447 255 E HA 0.593 4.943 4.350 -0.000 0.000 0.251 255 E C 0.311 176.787 176.600 -0.206 0.000 0.910 255 E CA -0.923 55.340 56.400 -0.228 0.000 0.841 255 E CB 1.471 31.128 29.700 -0.072 0.000 1.403 255 E HN 0.596 nan 8.360 nan 0.000 0.400 256 A N -0.202 122.528 122.820 -0.149 0.000 2.548 256 A HA 0.404 4.724 4.320 -0.000 0.000 0.247 256 A C 1.079 178.502 177.584 -0.268 0.000 1.067 256 A CA 1.313 53.252 52.037 -0.163 0.000 0.757 256 A CB -0.786 18.139 19.000 -0.126 0.000 0.996 256 A HN 0.765 nan 8.150 nan 0.000 0.504 257 G N 1.547 110.204 108.800 -0.238 0.000 2.218 257 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 257 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 257 G C 0.460 175.252 174.900 -0.179 0.000 0.994 257 G CA 0.454 45.321 45.100 -0.388 0.000 0.637 257 G HN 0.694 nan 8.290 nan 0.000 0.505 258 D N 1.273 121.567 120.400 -0.177 0.000 2.340 258 D HA 0.160 4.800 4.640 -0.000 0.000 0.220 258 D C 0.912 177.145 176.300 -0.111 0.000 1.039 258 D CA 0.549 54.467 54.000 -0.137 0.000 0.866 258 D CB 0.165 40.854 40.800 -0.185 0.000 0.913 258 D HN 0.362 nan 8.370 nan 0.000 0.523 259 S N -0.254 115.392 115.700 -0.091 0.000 2.544 259 S HA 0.282 4.752 4.470 -0.000 0.000 0.290 259 S C 1.504 176.017 174.600 -0.145 0.000 1.276 259 S CA 0.566 58.701 58.200 -0.108 0.000 1.075 259 S CB 1.089 64.259 63.200 -0.049 0.000 0.849 259 S HN 0.475 nan 8.310 nan 0.000 0.494 260 G N 2.440 111.163 108.800 -0.129 0.000 2.232 260 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.226 260 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.226 260 G C 0.297 175.188 174.900 -0.014 0.000 0.996 260 G CA -0.028 45.016 45.100 -0.094 0.000 0.626 260 G HN 1.305 nan 8.290 nan 0.000 0.509 261 S N 2.308 118.006 115.700 -0.003 0.000 2.549 261 S HA 0.536 5.006 4.470 -0.000 0.000 0.286 261 S C -1.574 173.085 174.600 0.098 0.000 1.314 261 S CA -0.165 58.055 58.200 0.034 0.000 1.062 261 S CB 1.620 64.834 63.200 0.023 0.000 0.865 261 S HN 0.453 nan 8.310 nan 0.000 0.498 262 P HA 0.345 nan 4.420 nan 0.000 0.276 262 P C -0.943 176.304 177.300 -0.087 0.000 1.244 262 P CA -0.686 62.360 63.100 -0.090 0.000 0.801 262 P CB 0.606 32.168 31.700 -0.230 0.000 1.006 263 L N 2.122 123.183 121.223 -0.270 0.000 2.349 263 L HA 0.553 4.893 4.340 -0.000 0.000 0.278 263 L C -1.319 175.380 176.870 -0.286 0.000 0.996 263 L CA -0.502 54.189 54.840 -0.249 0.000 0.825 263 L CB 0.616 42.289 42.059 -0.642 0.000 1.243 263 L HN 0.114 nan 8.230 nan 0.000 0.412 264 F N 3.592 123.633 119.950 0.153 0.000 2.483 264 F HA 0.894 5.421 4.527 -0.000 0.000 0.329 264 F C 0.463 176.410 175.800 0.245 0.000 1.064 264 F CA -0.105 58.041 58.000 0.243 0.000 0.986 264 F CB 2.067 41.276 39.000 0.348 0.000 1.218 264 F HN 0.658 nan 8.300 nan 0.000 0.484 265 A N 1.481 124.538 122.820 0.395 0.000 2.549 265 A HA 0.652 4.972 4.320 -0.000 0.000 0.297 265 A C -2.087 175.345 177.584 -0.254 0.000 1.061 265 A CA -0.538 51.383 52.037 -0.194 0.000 0.690 265 A CB 0.967 19.555 19.000 -0.687 0.000 1.287 265 A HN 0.596 nan 8.150 nan 0.000 0.402 266 F N 1.914 121.302 119.950 -0.937 0.000 2.410 266 F HA 0.544 5.071 4.527 -0.000 0.000 0.349 266 F C -0.303 175.243 175.800 -0.423 0.000 1.117 266 F CA -0.446 56.884 58.000 -1.116 0.000 1.104 266 F CB 1.136 39.187 39.000 -1.581 0.000 1.122 266 F HN 0.536 nan 8.300 nan 0.000 0.483 267 D N 3.922 123.772 120.400 -0.918 0.000 2.392 267 D HA 0.127 4.767 4.640 -0.000 0.000 0.228 267 D C 0.966 176.737 176.300 -0.882 0.000 1.074 267 D CA -0.184 53.446 54.000 -0.617 0.000 0.838 267 D CB 1.477 42.145 40.800 -0.220 0.000 1.067 267 D HN 0.661 nan 8.370 nan 0.000 0.511 268 T N 0.294 114.465 114.554 -0.639 0.000 3.035 268 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 268 T C 1.786 176.302 174.700 -0.306 0.000 1.109 268 T CA 0.694 62.547 62.100 -0.412 0.000 1.119 268 T CB -0.139 68.626 68.868 -0.171 0.000 0.900 268 T HN 0.174 nan 8.240 nan 0.000 0.503 269 V N 2.513 122.235 119.914 -0.320 0.000 2.427 269 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 269 V C 2.702 178.689 176.094 -0.179 0.000 1.051 269 V CA 2.030 64.200 62.300 -0.216 0.000 1.048 269 V CB -0.673 31.027 31.823 -0.205 0.000 0.666 269 V HN 0.749 nan 8.190 nan 0.000 0.456 270 Q N -0.217 119.451 119.800 -0.221 0.000 2.246 270 Q HA 0.205 4.545 4.340 -0.000 0.000 0.222 270 Q C 0.616 176.494 176.000 -0.204 0.000 0.851 270 Q CA 0.482 56.185 55.803 -0.167 0.000 0.945 270 Q CB -0.022 28.644 28.738 -0.120 0.000 1.122 270 Q HN 0.546 nan 8.270 nan 0.000 0.508 271 N N 1.425 119.902 118.700 -0.373 0.000 2.814 271 N HA -0.176 4.564 4.740 -0.000 0.000 0.247 271 N C -1.494 173.841 175.510 -0.292 0.000 1.089 271 N CA 1.372 54.217 53.050 -0.342 0.000 0.682 271 N CB -0.958 37.498 38.487 -0.052 0.000 0.970 271 N HN 0.654 nan 8.380 nan 0.000 0.554 272 K N -1.630 118.388 120.400 -0.636 0.000 2.597 272 K HA 0.436 4.756 4.320 -0.000 0.000 0.282 272 K C -0.950 175.466 176.600 -0.306 0.000 0.975 272 K CA -1.036 55.140 56.287 -0.185 0.000 0.867 272 K CB 0.459 32.942 32.500 -0.030 0.000 1.465 272 K HN 0.020 nan 8.250 nan 0.000 0.417 273 W N 1.067 122.413 121.300 0.076 0.000 2.093 273 W HA 0.523 5.183 4.660 -0.000 0.000 0.352 273 W C -0.261 176.324 176.519 0.109 0.000 1.294 273 W CA 0.062 57.475 57.345 0.114 0.000 1.290 273 W CB 1.248 30.767 29.460 0.098 0.000 1.149 273 W HN 0.267 nan 8.180 nan 0.000 0.606 274 V N 2.569 122.776 119.914 0.488 0.000 2.950 274 V HA 0.145 4.264 4.120 -0.000 0.000 0.295 274 V C -1.419 174.879 176.094 0.341 0.000 1.297 274 V CA -1.110 61.369 62.300 0.298 0.000 0.962 274 V CB 1.877 33.783 31.823 0.138 0.000 1.081 274 V HN 0.283 nan 8.190 nan 0.000 0.432 275 L N 6.495 127.843 121.223 0.208 0.000 2.278 275 L HA 0.474 4.814 4.340 -0.000 0.000 0.287 275 L C 0.867 177.659 176.870 -0.131 0.000 1.072 275 L CA 0.896 55.685 54.840 -0.084 0.000 0.819 275 L CB 1.540 43.543 42.059 -0.094 0.000 1.176 275 L HN 0.652 nan 8.230 nan 0.000 0.435 276 V N 3.535 123.298 119.914 -0.251 0.000 2.795 276 V HA 0.688 4.808 4.120 -0.000 0.000 0.243 276 V C 0.676 176.579 176.094 -0.318 0.000 1.069 276 V CA 1.105 63.188 62.300 -0.362 0.000 1.089 276 V CB -0.030 31.357 31.823 -0.726 0.000 0.756 276 V HN 0.862 nan 8.190 nan 0.000 0.471 277 G N -0.486 108.152 108.800 -0.270 0.000 2.548 277 G HA2 0.576 4.536 3.960 -0.000 0.000 0.301 277 G HA3 0.576 4.536 3.960 -0.000 0.000 0.301 277 G C -1.415 173.500 174.900 0.025 0.000 1.349 277 G CA 0.049 45.073 45.100 -0.126 0.000 0.792 277 G HN 1.199 nan 8.290 nan 0.000 0.481 278 V N -2.122 117.919 119.914 0.212 0.000 2.962 278 V HA 0.833 4.953 4.120 -0.000 0.000 0.313 278 V C -0.480 175.804 176.094 0.316 0.000 1.099 278 V CA -1.159 61.309 62.300 0.280 0.000 0.971 278 V CB 1.690 33.648 31.823 0.225 0.000 1.028 278 V HN 0.962 nan 8.190 nan 0.000 0.430 279 L N 3.548 124.863 121.223 0.153 0.000 2.281 279 L HA 0.480 4.820 4.340 -0.000 0.000 0.285 279 L C 1.480 178.241 176.870 -0.182 0.000 1.074 279 L CA 0.650 55.334 54.840 -0.260 0.000 0.817 279 L CB 1.671 43.528 42.059 -0.337 0.000 1.168 279 L HN 1.096 nan 8.230 nan 0.000 0.434 280 T N 1.587 116.025 114.554 -0.192 0.000 2.983 280 T HA 0.538 4.888 4.350 -0.000 0.000 0.250 280 T C 0.550 175.232 174.700 -0.030 0.000 1.037 280 T CA 0.343 62.438 62.100 -0.010 0.000 1.142 280 T CB 0.230 69.115 68.868 0.029 0.000 0.876 280 T HN 0.647 nan 8.240 nan 0.000 0.455 281 A N -0.554 122.151 122.820 -0.192 0.000 2.601 281 A HA 0.799 5.119 4.320 -0.000 0.000 0.291 281 A C -0.324 177.101 177.584 -0.265 0.000 1.075 281 A CA -0.448 51.480 52.037 -0.182 0.000 0.671 281 A CB 0.973 19.903 19.000 -0.117 0.000 1.277 281 A HN 0.740 nan 8.150 nan 0.000 0.417 282 G N -1.031 107.651 108.800 -0.197 0.000 3.022 282 G HA2 0.514 4.474 3.960 -0.000 0.000 0.284 282 G HA3 0.514 4.474 3.960 -0.000 0.000 0.284 282 G C -0.596 174.289 174.900 -0.024 0.000 1.375 282 G CA -0.494 44.519 45.100 -0.144 0.000 0.902 282 G HN 0.673 nan 8.290 nan 0.000 0.538 283 N N 0.198 118.954 118.700 0.094 0.000 2.378 283 N HA 0.440 5.180 4.740 -0.000 0.000 0.243 283 N C 0.656 176.193 175.510 0.045 0.000 1.137 283 N CA 0.557 53.634 53.050 0.046 0.000 0.862 283 N CB 0.606 39.107 38.487 0.024 0.000 1.116 283 N HN 1.103 nan 8.380 nan 0.000 0.499 284 G N 0.502 109.332 108.800 0.051 0.000 2.757 284 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.638 284 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.638 284 G C -0.257 174.691 174.900 0.080 0.000 1.344 284 G CA -0.650 44.468 45.100 0.031 0.000 0.855 284 G HN 0.369 nan 8.290 nan 0.000 0.537 285 A N 0.183 123.016 122.820 0.021 0.000 2.507 285 A HA 0.595 4.915 4.320 -0.000 0.000 0.281 285 A C 2.023 179.543 177.584 -0.106 0.000 1.154 285 A CA 2.091 54.112 52.037 -0.027 0.000 0.828 285 A CB -0.978 17.928 19.000 -0.157 0.000 1.069 285 A HN 2.910 nan 8.150 nan 0.000 0.522 286 G N 2.075 110.856 108.800 -0.032 0.000 2.149 286 G HA2 0.025 3.985 3.960 -0.000 0.000 0.235 286 G HA3 0.025 3.985 3.960 -0.000 0.000 0.235 286 G C 0.786 175.475 174.900 -0.352 0.000 1.018 286 G CA 0.469 45.424 45.100 -0.241 0.000 0.728 286 G HN 1.719 nan 8.290 nan 0.000 0.508 287 G N -1.138 107.465 108.800 -0.330 0.000 2.553 287 G HA2 0.483 4.443 3.960 -0.000 0.000 0.278 287 G HA3 0.483 4.443 3.960 -0.000 0.000 0.278 287 G C 0.907 175.526 174.900 -0.470 0.000 1.349 287 G CA 0.357 45.303 45.100 -0.257 0.000 1.037 287 G HN 0.438 nan 8.290 nan 0.000 0.508 288 R N -1.320 119.059 120.500 -0.201 0.000 2.140 288 R HA 0.214 4.554 4.340 -0.000 0.000 0.213 288 R C 0.953 177.240 176.300 -0.021 0.000 1.059 288 R CA 0.972 56.987 56.100 -0.142 0.000 1.000 288 R CB -0.046 30.212 30.300 -0.070 0.000 0.910 288 R HN 0.590 nan 8.270 nan 0.000 0.455 289 G N -0.857 108.017 108.800 0.123 0.000 2.684 289 G HA2 0.388 4.348 3.960 -0.000 0.000 0.290 289 G HA3 0.388 4.348 3.960 -0.000 0.000 0.290 289 G C -1.791 173.190 174.900 0.135 0.000 1.425 289 G CA -0.746 44.456 45.100 0.170 0.000 0.822 289 G HN 0.216 nan 8.290 nan 0.000 0.482 290 N N -0.051 118.630 118.700 -0.031 0.000 2.229 290 N HA 0.440 5.180 4.740 -0.000 0.000 0.298 290 N C -1.197 174.052 175.510 -0.435 0.000 1.114 290 N CA -0.938 51.864 53.050 -0.414 0.000 0.776 290 N CB 1.872 39.829 38.487 -0.884 0.000 1.501 290 N HN 0.405 nan 8.380 nan 0.000 0.474 291 N N 0.763 119.203 118.700 -0.433 0.000 2.405 291 N HA 0.400 5.140 4.740 -0.000 0.000 0.299 291 N C -1.041 174.265 175.510 -0.340 0.000 1.075 291 N CA -0.268 52.697 53.050 -0.143 0.000 0.884 291 N CB 1.525 40.071 38.487 0.098 0.000 1.194 291 N HN 0.386 nan 8.380 nan 0.000 0.491 292 W N -0.233 121.082 121.300 0.025 0.000 2.799 292 W HA 0.605 5.265 4.660 -0.000 0.000 0.349 292 W C -0.362 176.123 176.519 -0.056 0.000 1.100 292 W CA -0.979 56.352 57.345 -0.024 0.000 1.174 292 W CB 1.870 31.290 29.460 -0.067 0.000 1.427 292 W HN 0.357 nan 8.180 nan 0.000 0.547 293 A N 1.695 124.612 122.820 0.162 0.000 2.274 293 A HA 0.534 4.854 4.320 -0.000 0.000 0.309 293 A C -0.478 177.083 177.584 -0.038 0.000 1.226 293 A CA -0.485 51.567 52.037 0.025 0.000 0.853 293 A CB 0.612 19.629 19.000 0.029 0.000 1.146 293 A HN 0.359 nan 8.150 nan 0.000 0.518 294 V N 4.661 124.509 119.914 -0.109 0.000 2.572 294 V HA 0.011 4.131 4.120 -0.000 0.000 0.291 294 V C 0.608 176.545 176.094 -0.261 0.000 1.039 294 V CA -0.500 61.711 62.300 -0.150 0.000 1.055 294 V CB 0.378 32.169 31.823 -0.053 0.000 0.969 294 V HN 0.651 nan 8.190 nan 0.000 0.482 295 I N 8.043 128.457 120.570 -0.261 0.000 3.015 295 I HA -0.011 4.159 4.170 -0.000 0.000 0.309 295 I C -1.775 174.138 176.117 -0.341 0.000 1.229 295 I CA -1.168 59.909 61.300 -0.371 0.000 1.430 295 I CB -0.439 37.484 38.000 -0.128 0.000 1.347 295 I HN 0.470 nan 8.210 nan 0.000 0.544 296 P HA 0.168 nan 4.420 nan 0.000 0.288 296 P C 0.544 177.793 177.300 -0.085 0.000 1.363 296 P CA -0.595 62.367 63.100 -0.230 0.000 0.837 296 P CB 1.614 33.161 31.700 -0.255 0.000 0.981 297 L N 3.174 124.364 121.223 -0.055 0.000 1.994 297 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 297 L C 1.988 178.830 176.870 -0.046 0.000 1.071 297 L CA 2.045 56.864 54.840 -0.036 0.000 0.745 297 L CB -1.296 40.757 42.059 -0.011 0.000 0.892 297 L HN 0.288 nan 8.230 nan 0.000 0.431 298 D N -1.095 119.295 120.400 -0.017 0.000 2.104 298 D HA -0.270 4.370 4.640 -0.000 0.000 0.194 298 D C 2.169 178.460 176.300 -0.014 0.000 0.994 298 D CA 1.350 55.342 54.000 -0.014 0.000 0.830 298 D CB -0.448 40.361 40.800 0.016 0.000 0.959 298 D HN 0.302 nan 8.370 nan 0.000 0.452 299 F N 0.876 120.761 119.950 -0.108 0.000 2.095 299 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 299 F C 2.227 177.923 175.800 -0.174 0.000 1.104 299 F CA 0.970 58.914 58.000 -0.092 0.000 1.232 299 F CB -0.111 38.870 39.000 -0.032 0.000 0.987 299 F HN -0.186 nan 8.300 nan 0.000 0.475 300 I N 0.993 121.392 120.570 -0.285 0.000 2.163 300 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 300 I C 2.776 178.208 176.117 -1.143 0.000 1.085 300 I CA 1.892 62.791 61.300 -0.668 0.000 1.347 300 I CB -1.351 36.451 38.000 -0.330 0.000 1.044 300 I HN 0.264 nan 8.210 nan 0.000 0.408 301 G N -1.180 107.233 108.800 -0.644 0.000 2.432 301 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 301 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 301 G C 1.613 176.296 174.900 -0.361 0.000 1.135 301 G CA 0.555 45.395 45.100 -0.433 0.000 0.767 301 G HN 0.414 nan 8.290 nan 0.000 0.550 302 Q N -0.201 119.370 119.800 -0.382 0.000 2.046 302 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 302 Q C 2.640 178.428 176.000 -0.353 0.000 0.975 302 Q CA 0.966 56.590 55.803 -0.298 0.000 0.836 302 Q CB -0.011 28.554 28.738 -0.288 0.000 0.896 302 Q HN 0.205 nan 8.270 nan 0.000 0.428 303 K N 0.348 120.391 120.400 -0.595 0.000 2.063 303 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 303 K C 1.901 178.347 176.600 -0.256 0.000 1.048 303 K CA 1.378 57.389 56.287 -0.460 0.000 0.928 303 K CB -0.534 31.599 32.500 -0.611 0.000 0.713 303 K HN 0.299 nan 8.250 nan 0.000 0.442 304 F N 1.667 121.347 119.950 -0.450 0.000 2.102 304 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 304 F C 2.258 177.964 175.800 -0.158 0.000 1.105 304 F CA 0.547 58.297 58.000 -0.418 0.000 1.239 304 F CB -0.291 38.484 39.000 -0.374 0.000 0.991 304 F HN 0.137 nan 8.300 nan 0.000 0.474 305 N N 0.691 119.414 118.700 0.037 0.000 2.300 305 N HA -0.139 4.601 4.740 -0.000 0.000 0.179 305 N C 1.678 177.195 175.510 0.012 0.000 1.016 305 N CA 1.272 54.336 53.050 0.023 0.000 0.876 305 N CB -0.267 38.219 38.487 -0.002 0.000 0.979 305 N HN 0.538 nan 8.380 nan 0.000 0.432 306 E N 0.541 120.736 120.200 -0.008 0.000 2.338 306 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 306 E C 0.248 176.862 176.600 0.024 0.000 1.007 306 E CA 0.881 57.279 56.400 -0.005 0.000 0.849 306 E CB -0.036 29.649 29.700 -0.024 0.000 0.774 306 E HN 0.144 nan 8.360 nan 0.000 0.506 307 D N 0.861 121.304 120.400 0.071 0.000 2.349 307 D HA 0.025 4.665 4.640 -0.000 0.000 0.224 307 D C -0.237 176.099 176.300 0.059 0.000 1.029 307 D CA 0.260 54.312 54.000 0.087 0.000 0.879 307 D CB -0.046 40.859 40.800 0.176 0.000 0.906 307 D HN 0.097 nan 8.370 nan 0.000 0.528 308 N N 1.758 120.479 118.700 0.036 0.000 2.434 308 N HA 0.078 4.817 4.740 -0.000 0.000 0.272 308 N C -0.030 175.478 175.510 -0.003 0.000 1.040 308 N CA -0.169 52.883 53.050 0.005 0.000 0.956 308 N CB 1.333 39.814 38.487 -0.011 0.000 1.108 308 N HN -0.069 nan 8.380 nan 0.000 0.481 309 D N 0.516 120.913 120.400 -0.004 0.000 2.361 309 D HA 0.114 4.754 4.640 -0.000 0.000 0.239 309 D C 0.299 176.582 176.300 -0.028 0.000 1.200 309 D CA -0.087 53.920 54.000 0.012 0.000 0.915 309 D CB 0.817 41.647 40.800 0.050 0.000 1.170 309 D HN 0.522 nan 8.370 nan 0.000 0.444 310 A N 2.189 125.014 122.820 0.009 0.000 2.598 310 A HA 0.105 4.425 4.320 -0.000 0.000 0.239 310 A C -2.019 175.520 177.584 -0.074 0.000 1.032 310 A CA -0.578 51.464 52.037 0.007 0.000 0.760 310 A CB -0.579 18.470 19.000 0.081 0.000 0.946 310 A HN 0.268 nan 8.150 nan 0.000 0.512 311 P HA 0.124 nan 4.420 nan 0.000 0.261 311 P C -0.121 176.953 177.300 -0.376 0.000 1.183 311 P CA 0.162 63.128 63.100 -0.223 0.000 0.761 311 P CB 0.477 32.102 31.700 -0.125 0.000 0.785 312 V N 3.822 123.352 119.914 -0.639 0.000 2.465 312 V HA 0.439 4.559 4.120 -0.000 0.000 0.279 312 V C -0.418 175.367 176.094 -0.515 0.000 1.045 312 V CA 0.318 61.976 62.300 -1.070 0.000 0.938 312 V CB 0.968 32.148 31.823 -1.073 0.000 0.986 312 V HN 0.473 nan 8.190 nan 0.000 0.467 313 T N 8.107 122.383 114.554 -0.463 0.000 2.809 313 T HA 0.415 4.765 4.350 -0.000 0.000 0.284 313 T C -0.776 174.044 174.700 0.200 0.000 0.992 313 T CA -0.038 62.076 62.100 0.022 0.000 0.957 313 T CB 0.934 69.851 68.868 0.081 0.000 0.942 313 T HN 0.673 nan 8.240 nan 0.000 0.439 314 F N 3.025 123.059 119.950 0.140 0.000 2.396 314 F HA 0.570 5.097 4.527 -0.000 0.000 0.343 314 F C 0.534 176.377 175.800 0.071 0.000 1.104 314 F CA -0.824 57.242 58.000 0.110 0.000 1.161 314 F CB 0.652 39.657 39.000 0.009 0.000 1.146 314 F HN 0.301 nan 8.300 nan 0.000 0.522 315 R N 3.814 123.995 120.500 -0.533 0.000 2.280 315 R HA 0.130 4.470 4.340 -0.000 0.000 0.326 315 R C 1.145 177.049 176.300 -0.660 0.000 1.080 315 R CA 0.040 55.888 56.100 -0.421 0.000 1.002 315 R CB 0.669 30.827 30.300 -0.236 0.000 1.136 315 R HN 0.837 nan 8.270 nan 0.000 0.509 316 T N -0.024 114.297 114.554 -0.388 0.000 2.833 316 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 316 T C 1.658 176.273 174.700 -0.142 0.000 1.054 316 T CA 2.129 64.105 62.100 -0.207 0.000 1.135 316 T CB 0.058 68.963 68.868 0.061 0.000 0.869 316 T HN 0.585 nan 8.240 nan 0.000 0.466 317 S N 0.407 116.031 115.700 -0.126 0.000 2.453 317 S HA 0.012 4.482 4.470 -0.000 0.000 0.231 317 S C 1.850 176.393 174.600 -0.095 0.000 1.005 317 S CA 0.779 58.931 58.200 -0.080 0.000 0.949 317 S CB -0.414 62.753 63.200 -0.056 0.000 0.774 317 S HN 0.677 nan 8.310 nan 0.000 0.510 318 E N 1.586 121.691 120.200 -0.158 0.000 2.153 318 E HA 0.151 4.501 4.350 -0.000 0.000 0.194 318 E C 1.472 178.021 176.600 -0.085 0.000 0.988 318 E CA 0.331 56.656 56.400 -0.126 0.000 0.811 318 E CB -0.617 28.987 29.700 -0.160 0.000 0.746 318 E HN 0.695 nan 8.360 nan 0.000 0.466 319 G N 0.435 109.177 108.800 -0.096 0.000 2.641 319 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.254 319 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.254 319 G C 0.517 175.472 174.900 0.091 0.000 1.315 319 G CA -0.212 44.907 45.100 0.031 0.000 0.907 319 G HN 0.836 nan 8.290 nan 0.000 0.572 320 G N -1.682 107.203 108.800 0.143 0.000 2.593 320 G HA2 0.446 4.406 3.960 -0.000 0.000 0.237 320 G HA3 0.446 4.406 3.960 -0.000 0.000 0.237 320 G C 0.305 175.378 174.900 0.287 0.000 1.312 320 G CA 1.469 46.666 45.100 0.161 0.000 0.896 320 G HN 2.964 nan 8.290 nan 0.000 0.574 321 A N -1.532 121.450 122.820 0.270 0.000 2.556 321 A HA 0.776 5.096 4.320 -0.000 0.000 0.294 321 A C -0.283 177.493 177.584 0.319 0.000 1.091 321 A CA -0.399 51.806 52.037 0.280 0.000 0.704 321 A CB 1.359 20.419 19.000 0.101 0.000 1.300 321 A HN 1.482 nan 8.150 nan 0.000 0.406 322 L N 2.425 123.846 121.223 0.330 0.000 2.485 322 L HA 0.162 4.502 4.340 -0.000 0.000 0.279 322 L C -0.022 176.995 176.870 0.244 0.000 1.124 322 L CA -0.024 55.002 54.840 0.310 0.000 0.888 322 L CB 0.082 42.346 42.059 0.341 0.000 1.217 322 L HN 0.550 nan 8.230 nan 0.000 0.464 323 E N 3.002 123.337 120.200 0.225 0.000 2.259 323 E HA 0.067 4.417 4.350 -0.000 0.000 0.281 323 E C -0.942 175.845 176.600 0.312 0.000 1.037 323 E CA -0.221 56.315 56.400 0.225 0.000 0.854 323 E CB 1.558 31.359 29.700 0.169 0.000 1.051 323 E HN 0.364 nan 8.360 nan 0.000 0.409 324 W N 3.971 125.341 121.300 0.116 0.000 2.318 324 W HA 0.229 4.889 4.660 -0.000 0.000 0.315 324 W C -0.567 176.039 176.519 0.144 0.000 1.033 324 W CA -1.197 56.234 57.345 0.145 0.000 1.275 324 W CB 0.659 30.202 29.460 0.139 0.000 1.250 324 W HN 0.336 nan 8.180 nan 0.000 0.421 325 S N 4.905 120.954 115.700 0.580 0.000 2.664 325 S HA 0.880 5.349 4.470 -0.000 0.000 0.304 325 S C -1.314 173.624 174.600 0.563 0.000 1.099 325 S CA -0.617 57.828 58.200 0.409 0.000 1.003 325 S CB 2.806 66.152 63.200 0.243 0.000 1.092 325 S HN 0.462 nan 8.310 nan 0.000 0.525 326 F N 1.286 121.349 119.950 0.188 0.000 2.639 326 F HA 0.439 4.966 4.527 -0.000 0.000 0.320 326 F C -1.542 174.309 175.800 0.085 0.000 1.128 326 F CA -0.598 57.499 58.000 0.161 0.000 1.037 326 F CB 1.554 40.636 39.000 0.136 0.000 1.288 326 F HN 0.747 nan 8.300 nan 0.000 0.463 327 N N 2.659 120.989 118.700 -0.616 0.000 2.469 327 N HA 0.175 4.915 4.740 -0.000 0.000 0.253 327 N C 0.224 175.260 175.510 -0.791 0.000 0.970 327 N CA 0.198 52.958 53.050 -0.484 0.000 0.940 327 N CB 1.793 40.109 38.487 -0.285 0.000 1.128 327 N HN 0.656 nan 8.380 nan 0.000 0.503 328 S N 1.374 116.817 115.700 -0.429 0.000 2.562 328 S HA -0.075 4.395 4.470 -0.000 0.000 0.221 328 S C 1.452 175.971 174.600 -0.134 0.000 0.975 328 S CA 0.758 58.810 58.200 -0.247 0.000 0.918 328 S CB -0.221 63.030 63.200 0.085 0.000 0.772 328 S HN 0.517 nan 8.310 nan 0.000 0.531 329 S N 1.341 116.957 115.700 -0.140 0.000 2.503 329 S HA -0.009 4.461 4.470 -0.000 0.000 0.217 329 S C 1.780 176.329 174.600 -0.085 0.000 0.999 329 S CA 0.632 58.785 58.200 -0.077 0.000 0.914 329 S CB -0.720 62.450 63.200 -0.050 0.000 0.782 329 S HN 0.700 nan 8.310 nan 0.000 0.520 330 T N -2.668 111.801 114.554 -0.141 0.000 3.037 330 T HA 0.437 4.787 4.350 -0.000 0.000 0.251 330 T C 1.664 176.312 174.700 -0.087 0.000 1.079 330 T CA 0.698 62.740 62.100 -0.097 0.000 1.067 330 T CB -0.445 68.370 68.868 -0.089 0.000 0.948 330 T HN 1.199 nan 8.240 nan 0.000 0.496 331 G N 1.328 110.008 108.800 -0.199 0.000 2.160 331 G HA2 0.040 4.000 3.960 -0.000 0.000 0.251 331 G HA3 0.040 4.000 3.960 -0.000 0.000 0.251 331 G C 0.140 175.042 174.900 0.003 0.000 1.008 331 G CA 0.023 45.086 45.100 -0.062 0.000 0.724 331 G HN 1.249 nan 8.290 nan 0.000 0.514 332 A N -1.009 121.677 122.820 -0.223 0.000 2.355 332 A HA 1.048 5.368 4.320 -0.000 0.000 0.324 332 A C 0.548 178.102 177.584 -0.051 0.000 1.117 332 A CA 0.449 52.440 52.037 -0.076 0.000 0.785 332 A CB 1.925 20.885 19.000 -0.066 0.000 1.254 332 A HN 1.841 nan 8.150 nan 0.000 0.453 333 G N -1.044 107.831 108.800 0.125 0.000 2.827 333 G HA2 0.867 4.827 3.960 -0.000 0.000 0.296 333 G HA3 0.867 4.827 3.960 -0.000 0.000 0.296 333 G C -0.944 174.045 174.900 0.149 0.000 1.362 333 G CA 0.006 45.288 45.100 0.304 0.000 0.809 333 G HN 1.919 nan 8.290 nan 0.000 0.522 334 A N -0.765 122.178 122.820 0.205 0.000 2.594 334 A HA 0.723 5.043 4.320 -0.000 0.000 0.295 334 A C -1.764 175.865 177.584 0.074 0.000 1.071 334 A CA -0.471 51.618 52.037 0.087 0.000 0.685 334 A CB 1.672 20.720 19.000 0.080 0.000 1.285 334 A HN 0.711 nan 8.150 nan 0.000 0.405 335 L N 2.029 123.272 121.223 0.033 0.000 2.342 335 L HA 0.554 4.894 4.340 -0.000 0.000 0.276 335 L C -0.460 176.528 176.870 0.196 0.000 0.997 335 L CA -0.011 54.879 54.840 0.084 0.000 0.838 335 L CB 0.912 42.975 42.059 0.006 0.000 1.224 335 L HN 0.774 nan 8.230 nan 0.000 0.416 336 T N 3.180 117.845 114.554 0.183 0.000 2.786 336 T HA 0.336 4.686 4.350 -0.000 0.000 0.283 336 T C -0.138 174.667 174.700 0.176 0.000 0.992 336 T CA -0.368 61.820 62.100 0.146 0.000 0.954 336 T CB 1.988 70.915 68.868 0.099 0.000 0.934 336 T HN 0.465 nan 8.240 nan 0.000 0.440 337 Q N 2.959 122.864 119.800 0.175 0.000 2.413 337 Q HA 0.486 4.826 4.340 -0.000 0.000 0.258 337 Q C 0.928 176.973 176.000 0.075 0.000 1.037 337 Q CA -0.055 55.846 55.803 0.163 0.000 0.764 337 Q CB 0.383 29.252 28.738 0.217 0.000 1.217 337 Q HN 0.980 nan 8.270 nan 0.000 0.490 338 G N 2.463 111.300 108.800 0.061 0.000 2.620 338 G HA2 -0.431 3.528 3.960 -0.000 0.000 0.315 338 G HA3 -0.431 3.528 3.960 -0.000 0.000 0.315 338 G C 0.760 175.667 174.900 0.011 0.000 1.179 338 G CA 0.825 45.942 45.100 0.028 0.000 0.971 338 G HN 0.552 nan 8.290 nan 0.000 0.544 339 T N 0.849 115.398 114.554 -0.008 0.000 3.054 339 T HA 0.327 4.677 4.350 -0.000 0.000 0.259 339 T C 1.305 175.973 174.700 -0.053 0.000 1.092 339 T CA 2.098 64.184 62.100 -0.024 0.000 1.121 339 T CB -0.282 68.570 68.868 -0.026 0.000 0.912 339 T HN 1.094 nan 8.240 nan 0.000 0.489 340 T N 1.753 116.268 114.554 -0.066 0.000 2.749 340 T HA 0.499 4.849 4.350 -0.000 0.000 0.287 340 T C -0.495 174.076 174.700 -0.216 0.000 0.970 340 T CA -0.550 61.453 62.100 -0.161 0.000 0.980 340 T CB 1.161 69.930 68.868 -0.166 0.000 0.924 340 T HN -0.044 nan 8.240 nan 0.000 0.456 341 T N 4.855 119.235 114.554 -0.290 0.000 2.888 341 T HA 0.559 4.909 4.350 -0.000 0.000 0.284 341 T C -1.263 173.154 174.700 -0.471 0.000 1.017 341 T CA -0.354 61.602 62.100 -0.240 0.000 1.022 341 T CB 0.670 69.476 68.868 -0.102 0.000 1.013 341 T HN 0.613 nan 8.240 nan 0.000 0.465 342 Y N 0.669 120.960 120.300 -0.015 0.000 2.429 342 Y HA 0.624 5.173 4.550 -0.000 0.000 0.342 342 Y C 0.472 176.333 175.900 -0.065 0.000 1.004 342 Y CA -1.188 56.886 58.100 -0.044 0.000 1.075 342 Y CB 1.300 39.714 38.460 -0.076 0.000 1.214 342 Y HN 0.810 nan 8.280 nan 0.000 0.455 343 A N 4.607 127.478 122.820 0.085 0.000 2.322 343 A HA 0.738 5.058 4.320 -0.000 0.000 0.269 343 A C -0.397 177.162 177.584 -0.042 0.000 1.094 343 A CA -0.459 51.578 52.037 -0.001 0.000 0.807 343 A CB 0.773 19.800 19.000 0.045 0.000 1.047 343 A HN 0.763 nan 8.150 nan 0.000 0.487 344 M N 1.369 120.858 119.600 -0.186 0.000 2.484 344 M HA 0.525 5.005 4.480 -0.000 0.000 0.289 344 M C -2.132 173.986 176.300 -0.304 0.000 1.206 344 M CA -0.327 54.911 55.300 -0.103 0.000 0.892 344 M CB 1.966 34.541 32.600 -0.041 0.000 1.712 344 M HN 0.918 nan 8.290 nan 0.000 0.462 345 H N 0.967 120.166 119.070 0.215 0.000 2.806 345 H HA 0.777 5.333 4.556 -0.000 0.000 0.367 345 H C -0.100 175.409 175.328 0.300 0.000 1.136 345 H CA -0.227 55.973 56.048 0.254 0.000 1.178 345 H CB 2.184 32.037 29.762 0.151 0.000 1.718 345 H HN 0.904 nan 8.280 nan 0.000 0.540 346 G N 0.161 109.264 108.800 0.505 0.000 3.251 346 G HA2 0.296 4.256 3.960 -0.000 0.000 0.248 346 G HA3 0.296 4.256 3.960 -0.000 0.000 0.248 346 G C -0.879 174.202 174.900 0.301 0.000 1.320 346 G CA -0.918 44.418 45.100 0.394 0.000 0.982 346 G HN 0.618 nan 8.290 nan 0.000 0.575 347 Q N -0.537 119.396 119.800 0.221 0.000 2.361 347 Q HA 0.235 4.574 4.340 -0.000 0.000 0.276 347 Q C -0.610 175.491 176.000 0.169 0.000 1.022 347 Q CA 0.621 56.512 55.803 0.146 0.000 0.898 347 Q CB 0.362 29.146 28.738 0.077 0.000 1.246 347 Q HN 0.399 nan 8.270 nan 0.000 0.410 348 Q N 2.298 122.159 119.800 0.102 0.000 2.327 348 Q HA 0.435 4.775 4.340 -0.000 0.000 0.270 348 Q C 0.073 176.100 176.000 0.045 0.000 1.022 348 Q CA 0.029 55.876 55.803 0.073 0.000 0.773 348 Q CB 1.917 30.692 28.738 0.062 0.000 1.251 348 Q HN 1.033 nan 8.270 nan 0.000 0.457 349 G N 3.049 111.871 108.800 0.036 0.000 2.583 349 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.292 349 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.292 349 G C 0.225 175.136 174.900 0.018 0.000 1.203 349 G CA 0.538 45.651 45.100 0.022 0.000 0.987 349 G HN 0.784 nan 8.290 nan 0.000 0.554 350 N N 1.268 119.972 118.700 0.008 0.000 2.314 350 N HA 0.248 4.988 4.740 -0.000 0.000 0.200 350 N C -0.297 175.211 175.510 -0.003 0.000 1.135 350 N CA 0.326 53.376 53.050 -0.000 0.000 0.835 350 N CB 0.296 38.780 38.487 -0.006 0.000 0.989 350 N HN 0.448 nan 8.380 nan 0.000 0.478 351 D N 0.681 121.086 120.400 0.007 0.000 2.441 351 D HA 0.110 4.750 4.640 -0.000 0.000 0.221 351 D C 0.664 176.971 176.300 0.012 0.000 1.156 351 D CA -0.336 53.667 54.000 0.006 0.000 0.896 351 D CB 0.641 41.448 40.800 0.012 0.000 1.028 351 D HN -0.031 nan 8.370 nan 0.000 0.509 352 L N 3.501 124.722 121.223 -0.004 0.000 2.217 352 L HA 0.004 4.344 4.340 -0.000 0.000 0.211 352 L C 1.980 178.851 176.870 0.001 0.000 1.107 352 L CA 0.715 55.550 54.840 -0.008 0.000 0.783 352 L CB -0.647 41.391 42.059 -0.034 0.000 0.919 352 L HN 0.367 nan 8.230 nan 0.000 0.442 353 N N -0.065 118.633 118.700 -0.004 0.000 2.443 353 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 353 N C 1.733 177.256 175.510 0.021 0.000 1.037 353 N CA 0.961 54.011 53.050 0.000 0.000 0.896 353 N CB 0.041 38.523 38.487 -0.008 0.000 0.959 353 N HN 0.328 nan 8.380 nan 0.000 0.442 354 A N -0.536 122.307 122.820 0.037 0.000 2.168 354 A HA 0.236 4.556 4.320 -0.000 0.000 0.215 354 A C 1.242 178.884 177.584 0.097 0.000 1.152 354 A CA 0.570 52.641 52.037 0.055 0.000 0.716 354 A CB -0.755 18.286 19.000 0.068 0.000 0.794 354 A HN 0.306 nan 8.150 nan 0.000 0.465 355 G N -0.019 108.841 108.800 0.099 0.000 2.442 355 G HA2 0.458 4.418 3.960 -0.000 0.000 0.249 355 G HA3 0.458 4.418 3.960 -0.000 0.000 0.249 355 G C -0.239 174.733 174.900 0.119 0.000 1.263 355 G CA -0.354 44.829 45.100 0.138 0.000 0.846 355 G HN 0.347 nan 8.290 nan 0.000 0.555 356 K N 1.091 121.590 120.400 0.164 0.000 2.385 356 K HA 0.255 4.575 4.320 -0.000 0.000 0.248 356 K C -0.629 176.040 176.600 0.115 0.000 0.955 356 K CA -0.983 55.378 56.287 0.123 0.000 0.816 356 K CB 1.777 34.350 32.500 0.121 0.000 1.250 356 K HN 0.453 nan 8.250 nan 0.000 0.434 357 N N 1.823 120.563 118.700 0.066 0.000 2.525 357 N HA 0.252 4.992 4.740 -0.000 0.000 0.271 357 N C -0.436 175.030 175.510 -0.074 0.000 1.194 357 N CA -0.113 52.952 53.050 0.024 0.000 0.964 357 N CB 0.601 39.096 38.487 0.013 0.000 1.126 357 N HN 0.317 nan 8.380 nan 0.000 0.452 358 L N 1.610 122.725 121.223 -0.179 0.000 2.325 358 L HA 0.565 4.905 4.340 -0.000 0.000 0.278 358 L C 0.028 176.538 176.870 -0.599 0.000 1.023 358 L CA -0.677 53.868 54.840 -0.493 0.000 0.811 358 L CB 1.158 42.729 42.059 -0.813 0.000 1.249 358 L HN 0.309 nan 8.230 nan 0.000 0.431 359 I N 2.261 122.432 120.570 -0.666 0.000 2.410 359 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 359 I C -0.931 174.804 176.117 -0.638 0.000 1.009 359 I CA -0.169 60.820 61.300 -0.520 0.000 1.111 359 I CB 1.373 39.205 38.000 -0.281 0.000 1.262 359 I HN 0.323 nan 8.210 nan 0.000 0.443 360 F N 5.828 125.480 119.950 -0.498 0.000 2.410 360 F HA 0.444 4.971 4.527 -0.000 0.000 0.349 360 F C 0.648 176.352 175.800 -0.161 0.000 1.117 360 F CA -0.278 57.429 58.000 -0.488 0.000 1.104 360 F CB 1.168 39.543 39.000 -1.043 0.000 1.122 360 F HN 0.467 nan 8.300 nan 0.000 0.483 361 Q N 2.182 122.093 119.800 0.185 0.000 2.991 361 Q HA 0.840 5.180 4.340 -0.000 0.000 0.322 361 Q C -0.432 175.779 176.000 0.352 0.000 0.978 361 Q CA -1.352 54.603 55.803 0.253 0.000 0.787 361 Q CB 2.062 30.867 28.738 0.111 0.000 1.492 361 Q HN 0.895 nan 8.270 nan 0.000 0.498 362 G N 0.626 109.571 108.800 0.241 0.000 2.879 362 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 362 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 362 G C -1.058 173.961 174.900 0.197 0.000 1.115 362 G CA -0.530 44.697 45.100 0.211 0.000 0.770 362 G HN 0.546 nan 8.290 nan 0.000 0.601 363 Q N 0.718 120.600 119.800 0.136 0.000 2.337 363 Q HA 0.326 4.666 4.340 -0.000 0.000 0.270 363 Q C 1.004 177.054 176.000 0.083 0.000 1.002 363 Q CA 0.595 56.455 55.803 0.096 0.000 0.888 363 Q CB 0.203 28.983 28.738 0.071 0.000 1.222 363 Q HN 0.788 nan 8.270 nan 0.000 0.400 364 N N 0.394 119.083 118.700 -0.017 0.000 2.714 364 N HA -0.189 4.551 4.740 -0.000 0.000 0.253 364 N C -0.204 175.080 175.510 -0.377 0.000 1.024 364 N CA 0.189 53.168 53.050 -0.119 0.000 0.726 364 N CB -1.041 37.431 38.487 -0.024 0.000 0.908 364 N HN 0.751 nan 8.380 nan 0.000 0.542 365 G N 0.161 108.424 108.800 -0.894 0.000 2.432 365 G HA2 0.245 4.205 3.960 -0.000 0.000 0.239 365 G HA3 0.245 4.205 3.960 -0.000 0.000 0.239 365 G C -0.082 173.884 174.900 -1.556 0.000 1.291 365 G CA -0.135 43.781 45.100 -1.973 0.000 0.863 365 G HN 0.158 nan 8.290 nan 0.000 0.560 366 Q N 0.627 119.387 119.800 -1.734 0.000 2.340 366 Q HA 0.506 4.846 4.340 -0.000 0.000 0.268 366 Q C -0.516 175.257 176.000 -0.378 0.000 1.031 366 Q CA -0.379 54.955 55.803 -0.783 0.000 0.804 366 Q CB 2.583 30.996 28.738 -0.542 0.000 1.286 366 Q HN 0.524 nan 8.270 nan 0.000 0.448 367 I N 1.753 122.258 120.570 -0.110 0.000 2.545 367 I HA 0.366 4.536 4.170 -0.000 0.000 0.292 367 I C -0.132 175.992 176.117 0.011 0.000 1.040 367 I CA -0.611 60.710 61.300 0.036 0.000 1.068 367 I CB 2.076 40.136 38.000 0.101 0.000 1.251 367 I HN 0.402 nan 8.210 nan 0.000 0.424 368 N N 6.599 125.345 118.700 0.078 0.000 2.483 368 N HA 0.333 5.073 4.740 -0.000 0.000 0.267 368 N C -1.445 174.120 175.510 0.093 0.000 0.998 368 N CA -0.660 52.415 53.050 0.041 0.000 0.918 368 N CB 1.469 39.980 38.487 0.040 0.000 1.215 368 N HN 0.395 nan 8.380 nan 0.000 0.500 369 L N 3.977 125.198 121.223 -0.003 0.000 2.433 369 L HA 0.159 4.499 4.340 -0.000 0.000 0.275 369 L C 1.555 178.415 176.870 -0.016 0.000 1.128 369 L CA 0.542 55.356 54.840 -0.044 0.000 0.875 369 L CB 0.800 42.732 42.059 -0.213 0.000 1.171 369 L HN 0.544 nan 8.230 nan 0.000 0.463 370 K N 1.097 121.524 120.400 0.045 0.000 2.323 370 K HA 0.162 4.482 4.320 -0.000 0.000 0.197 370 K C -0.237 176.383 176.600 0.033 0.000 1.043 370 K CA 0.432 56.748 56.287 0.049 0.000 0.997 370 K CB 0.412 32.968 32.500 0.094 0.000 0.807 370 K HN 0.600 nan 8.250 nan 0.000 0.497 371 D N -0.477 119.937 120.400 0.022 0.000 2.601 371 D HA 0.176 4.816 4.640 -0.000 0.000 0.230 371 D C -0.895 175.384 176.300 -0.035 0.000 1.106 371 D CA -0.385 53.639 54.000 0.040 0.000 0.873 371 D CB 2.204 43.089 40.800 0.141 0.000 1.515 371 D HN -0.209 nan 8.370 nan 0.000 0.468 372 S N 0.248 115.938 115.700 -0.016 0.000 2.560 372 S HA 0.246 4.716 4.470 -0.000 0.000 0.284 372 S C 0.026 174.559 174.600 -0.111 0.000 1.327 372 S CA -0.400 57.758 58.200 -0.069 0.000 1.055 372 S CB 0.684 63.868 63.200 -0.028 0.000 0.868 372 S HN 0.165 nan 8.310 nan 0.000 0.506 373 V N 3.309 123.015 119.914 -0.345 0.000 2.540 373 V HA 0.385 4.505 4.120 -0.000 0.000 0.302 373 V C -0.343 175.330 176.094 -0.701 0.000 1.035 373 V CA -0.674 61.161 62.300 -0.775 0.000 0.873 373 V CB 2.103 33.459 31.823 -0.779 0.000 0.992 373 V HN 0.850 nan 8.190 nan 0.000 0.428 374 S N 3.373 118.628 115.700 -0.742 0.000 2.528 374 S HA 0.234 4.704 4.470 -0.000 0.000 0.303 374 S C 0.568 174.942 174.600 -0.377 0.000 1.123 374 S CA -0.373 57.559 58.200 -0.448 0.000 1.138 374 S CB 1.160 64.275 63.200 -0.141 0.000 0.984 374 S HN 0.829 nan 8.310 nan 0.000 0.474 375 Q N 2.714 122.268 119.800 -0.409 0.000 2.482 375 Q HA 0.198 4.538 4.340 -0.000 0.000 0.209 375 Q C 1.439 177.421 176.000 -0.031 0.000 0.961 375 Q CA 0.727 56.472 55.803 -0.097 0.000 0.945 375 Q CB -0.294 28.545 28.738 0.167 0.000 1.012 375 Q HN 1.008 nan 8.270 nan 0.000 0.515 376 G N 0.568 109.309 108.800 -0.099 0.000 2.665 376 G HA2 -0.462 3.498 3.960 -0.000 0.000 0.326 376 G HA3 -0.462 3.498 3.960 -0.000 0.000 0.326 376 G C 0.700 175.563 174.900 -0.062 0.000 1.231 376 G CA 0.587 45.651 45.100 -0.059 0.000 0.992 376 G HN 0.763 nan 8.290 nan 0.000 0.549 377 A N 1.177 123.985 122.820 -0.020 0.000 2.275 377 A HA 0.612 4.931 4.320 -0.000 0.000 0.212 377 A C 1.626 179.221 177.584 0.018 0.000 1.201 377 A CA 1.469 53.490 52.037 -0.027 0.000 0.843 377 A CB -0.470 18.501 19.000 -0.049 0.000 0.873 377 A HN 2.125 nan 8.150 nan 0.000 0.492 378 G N 1.198 110.041 108.800 0.072 0.000 2.313 378 G HA2 0.375 4.335 3.960 -0.000 0.000 0.250 378 G HA3 0.375 4.335 3.960 -0.000 0.000 0.250 378 G C 0.407 175.427 174.900 0.200 0.000 1.281 378 G CA 0.627 45.809 45.100 0.136 0.000 0.917 378 G HN 0.634 nan 8.290 nan 0.000 0.501 379 S N 1.930 117.722 115.700 0.153 0.000 2.722 379 S HA 0.761 5.231 4.470 -0.000 0.000 0.292 379 S C -0.249 174.429 174.600 0.129 0.000 1.135 379 S CA -0.966 57.338 58.200 0.173 0.000 1.003 379 S CB 1.584 64.833 63.200 0.082 0.000 1.067 379 S HN 0.478 nan 8.310 nan 0.000 0.546 380 L N 1.024 122.291 121.223 0.073 0.000 2.365 380 L HA 0.584 4.924 4.340 -0.000 0.000 0.273 380 L C -0.552 176.246 176.870 -0.121 0.000 1.000 380 L CA -0.586 54.217 54.840 -0.061 0.000 0.819 380 L CB 2.300 44.320 42.059 -0.065 0.000 1.284 380 L HN 0.718 nan 8.230 nan 0.000 0.418 381 T N 2.081 116.486 114.554 -0.249 0.000 2.848 381 T HA 0.561 4.911 4.350 -0.000 0.000 0.285 381 T C -0.857 173.677 174.700 -0.276 0.000 0.995 381 T CA -0.316 61.689 62.100 -0.158 0.000 0.970 381 T CB 1.030 69.831 68.868 -0.113 0.000 0.976 381 T HN 0.122 nan 8.240 nan 0.000 0.441 382 F N 2.285 122.232 119.950 -0.005 0.000 2.375 382 F HA 0.426 4.953 4.527 -0.000 0.000 0.361 382 F C 1.518 177.330 175.800 0.019 0.000 1.117 382 F CA -0.813 57.182 58.000 -0.007 0.000 1.037 382 F CB 1.310 40.278 39.000 -0.055 0.000 1.192 382 F HN 0.376 nan 8.300 nan 0.000 0.452 383 R N 0.832 121.429 120.500 0.161 0.000 2.334 383 R HA 0.145 4.485 4.340 -0.000 0.000 0.216 383 R C -0.399 176.005 176.300 0.173 0.000 0.905 383 R CA 0.243 56.419 56.100 0.126 0.000 1.064 383 R CB 0.193 30.535 30.300 0.070 0.000 1.046 383 R HN 0.547 nan 8.270 nan 0.000 0.508 384 D N -0.652 119.913 120.400 0.275 0.000 2.639 384 D HA 0.130 4.770 4.640 -0.000 0.000 0.271 384 D C -1.385 175.125 176.300 0.350 0.000 1.254 384 D CA -0.656 53.508 54.000 0.274 0.000 0.810 384 D CB 1.414 42.374 40.800 0.267 0.000 1.351 384 D HN -0.167 nan 8.370 nan 0.000 0.427 385 N N 0.697 119.523 118.700 0.209 0.000 2.513 385 N HA 0.263 5.003 4.740 -0.000 0.000 0.268 385 N C -0.842 174.753 175.510 0.142 0.000 1.180 385 N CA 0.532 53.661 53.050 0.132 0.000 0.948 385 N CB 0.360 38.871 38.487 0.040 0.000 1.083 385 N HN 0.303 nan 8.380 nan 0.000 0.455 386 Y N -0.657 119.573 120.300 -0.117 0.000 2.597 386 Y HA 0.320 4.870 4.550 -0.000 0.000 0.340 386 Y C -0.387 175.382 175.900 -0.219 0.000 1.097 386 Y CA -0.603 57.396 58.100 -0.168 0.000 1.037 386 Y CB 2.027 40.390 38.460 -0.162 0.000 1.305 386 Y HN 0.289 nan 8.280 nan 0.000 0.463 387 T N 2.782 117.274 114.554 -0.103 0.000 2.812 387 T HA 0.615 4.965 4.350 -0.000 0.000 0.282 387 T C -1.275 173.359 174.700 -0.111 0.000 0.990 387 T CA -0.643 61.388 62.100 -0.115 0.000 0.960 387 T CB 0.988 69.772 68.868 -0.141 0.000 0.948 387 T HN 0.291 nan 8.240 nan 0.000 0.438 388 V N 3.960 123.785 119.914 -0.148 0.000 2.448 388 V HA 0.804 4.924 4.120 -0.000 0.000 0.295 388 V C 0.334 176.234 176.094 -0.324 0.000 1.025 388 V CA -0.763 61.394 62.300 -0.239 0.000 0.859 388 V CB 1.543 33.123 31.823 -0.406 0.000 0.988 388 V HN 1.125 nan 8.190 nan 0.000 0.431 389 T N 0.194 114.595 114.554 -0.255 0.000 2.883 389 T HA 0.727 5.077 4.350 -0.000 0.000 0.296 389 T C -0.604 173.981 174.700 -0.192 0.000 1.117 389 T CA -0.725 61.239 62.100 -0.226 0.000 1.006 389 T CB 2.173 70.956 68.868 -0.142 0.000 1.191 389 T HN 0.636 nan 8.240 nan 0.000 0.508 390 T N -0.217 114.235 114.554 -0.169 0.000 2.900 390 T HA 0.562 4.912 4.350 -0.000 0.000 0.295 390 T C 0.239 174.888 174.700 -0.084 0.000 1.044 390 T CA -0.629 61.397 62.100 -0.123 0.000 0.995 390 T CB 1.504 70.287 68.868 -0.141 0.000 1.072 390 T HN 0.640 nan 8.240 nan 0.000 0.473 391 S N 3.616 119.283 115.700 -0.055 0.000 2.568 391 S HA 0.227 4.697 4.470 -0.000 0.000 0.232 391 S C 1.025 175.605 174.600 -0.033 0.000 0.975 391 S CA -0.521 57.655 58.200 -0.040 0.000 0.949 391 S CB -0.056 63.130 63.200 -0.025 0.000 0.829 391 S HN 0.695 nan 8.310 nan 0.000 0.479 392 N N 0.701 119.378 118.700 -0.040 0.000 2.008 392 N HA 0.086 4.826 4.740 -0.000 0.000 0.228 392 N C 0.932 176.421 175.510 -0.035 0.000 1.375 392 N CA 0.912 53.944 53.050 -0.030 0.000 0.856 392 N CB 0.800 39.270 38.487 -0.029 0.000 1.096 392 N HN 0.399 nan 8.380 nan 0.000 0.489 393 G N 1.336 110.107 108.800 -0.048 0.000 2.249 393 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.273 393 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.273 393 G C -0.205 174.663 174.900 -0.052 0.000 1.036 393 G CA 0.797 45.867 45.100 -0.050 0.000 0.824 393 G HN 0.322 nan 8.290 nan 0.000 0.504 394 S N 0.376 116.036 115.700 -0.067 0.000 2.562 394 S HA 0.545 5.015 4.470 -0.000 0.000 0.281 394 S C 0.991 175.542 174.600 -0.082 0.000 1.333 394 S CA 0.455 58.611 58.200 -0.074 0.000 1.052 394 S CB 0.994 64.136 63.200 -0.096 0.000 0.884 394 S HN 1.057 nan 8.310 nan 0.000 0.506 395 T N 0.188 114.707 114.554 -0.059 0.000 2.944 395 T HA 0.633 4.983 4.350 -0.000 0.000 0.284 395 T C -0.952 173.756 174.700 0.013 0.000 1.010 395 T CA -0.856 61.236 62.100 -0.014 0.000 1.025 395 T CB 0.879 69.746 68.868 -0.001 0.000 1.079 395 T HN 0.711 nan 8.240 nan 0.000 0.516 396 W N 1.809 123.070 121.300 -0.066 0.000 2.839 396 W HA 0.551 5.211 4.660 -0.000 0.000 0.334 396 W C -0.679 175.880 176.519 0.067 0.000 1.064 396 W CA -0.406 56.913 57.345 -0.043 0.000 1.236 396 W CB 1.868 31.370 29.460 0.071 0.000 1.405 396 W HN 1.188 nan 8.180 nan 0.000 0.478 397 T N 2.356 116.309 114.554 -1.002 0.000 2.838 397 T HA 0.964 5.314 4.350 -0.000 0.000 0.292 397 T C -0.210 173.357 174.700 -1.888 0.000 1.113 397 T CA -0.204 61.179 62.100 -1.196 0.000 1.008 397 T CB 1.658 70.216 68.868 -0.518 0.000 1.259 397 T HN 1.392 nan 8.240 nan 0.000 0.520 398 G N -0.833 107.274 108.800 -1.156 0.000 2.327 398 G HA2 0.566 4.526 3.960 -0.000 0.000 0.291 398 G HA3 0.566 4.526 3.960 -0.000 0.000 0.291 398 G C 0.525 175.306 174.900 -0.198 0.000 1.290 398 G CA -0.066 44.643 45.100 -0.652 0.000 0.857 398 G HN 1.200 nan 8.290 nan 0.000 0.520 399 A N -1.348 121.482 122.820 0.017 0.000 1.898 399 A HA 0.598 4.917 4.320 -0.000 0.000 0.216 399 A C 1.645 179.264 177.584 0.059 0.000 1.181 399 A CA 2.492 54.524 52.037 -0.008 0.000 0.620 399 A CB -0.573 18.428 19.000 0.002 0.000 0.819 399 A HN 2.642 nan 8.150 nan 0.000 0.442 400 G N -2.384 106.573 108.800 0.262 0.000 2.327 400 G HA2 0.408 4.368 3.960 -0.000 0.000 0.291 400 G HA3 0.408 4.368 3.960 -0.000 0.000 0.291 400 G C -1.473 173.536 174.900 0.182 0.000 1.290 400 G CA -0.540 44.717 45.100 0.261 0.000 0.857 400 G HN 0.308 nan 8.290 nan 0.000 0.520 401 I N 0.438 121.029 120.570 0.036 0.000 2.406 401 I HA 0.477 4.647 4.170 -0.000 0.000 0.290 401 I C -0.207 175.912 176.117 0.004 0.000 0.999 401 I CA -1.120 60.152 61.300 -0.046 0.000 1.124 401 I CB 2.116 39.969 38.000 -0.246 0.000 1.289 401 I HN 0.250 nan 8.210 nan 0.000 0.441 402 V N 7.113 127.049 119.914 0.038 0.000 2.370 402 V HA 0.310 4.430 4.120 -0.000 0.000 0.279 402 V C -0.006 176.146 176.094 0.097 0.000 1.029 402 V CA -0.637 61.685 62.300 0.037 0.000 0.870 402 V CB 1.590 33.422 31.823 0.015 0.000 0.984 402 V HN 0.382 nan 8.190 nan 0.000 0.451 403 V N 4.156 124.107 119.914 0.062 0.000 2.347 403 V HA 0.337 4.457 4.120 -0.000 0.000 0.280 403 V C -0.035 176.094 176.094 0.059 0.000 1.021 403 V CA -0.788 61.562 62.300 0.084 0.000 0.847 403 V CB 1.436 33.264 31.823 0.010 0.000 0.990 403 V HN 0.800 nan 8.190 nan 0.000 0.444 404 D N 3.023 123.471 120.400 0.079 0.000 2.400 404 D HA -0.010 4.630 4.640 -0.000 0.000 0.238 404 D C 0.654 176.977 176.300 0.038 0.000 1.157 404 D CA 0.352 54.383 54.000 0.051 0.000 0.889 404 D CB 0.343 41.178 40.800 0.058 0.000 1.199 404 D HN 0.611 nan 8.370 nan 0.000 0.436 405 N N 0.310 119.025 118.700 0.025 0.000 2.365 405 N HA 0.041 4.781 4.740 -0.000 0.000 0.265 405 N C 0.928 176.454 175.510 0.026 0.000 1.288 405 N CA 0.697 53.759 53.050 0.020 0.000 0.869 405 N CB 0.156 38.652 38.487 0.015 0.000 1.071 405 N HN 0.603 nan 8.380 nan 0.000 0.480 406 G N 1.706 110.520 108.800 0.023 0.000 2.157 406 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 406 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 406 G C -0.095 174.824 174.900 0.032 0.000 0.979 406 G CA 0.128 45.242 45.100 0.024 0.000 0.650 406 G HN 0.523 nan 8.290 nan 0.000 0.529 407 V N -0.023 119.914 119.914 0.037 0.000 2.850 407 V HA 0.873 4.993 4.120 -0.000 0.000 0.315 407 V C 0.345 176.452 176.094 0.022 0.000 1.064 407 V CA 0.043 62.372 62.300 0.049 0.000 0.979 407 V CB 1.963 33.839 31.823 0.088 0.000 1.039 407 V HN 0.589 nan 8.190 nan 0.000 0.452 408 S N 1.703 117.409 115.700 0.010 0.000 2.575 408 S HA 0.726 5.196 4.470 -0.000 0.000 0.278 408 S C -1.422 173.141 174.600 -0.061 0.000 1.139 408 S CA -0.411 57.775 58.200 -0.024 0.000 0.954 408 S CB 1.622 64.814 63.200 -0.013 0.000 1.054 408 S HN 0.463 nan 8.310 nan 0.000 0.483 409 V N 5.510 125.350 119.914 -0.123 0.000 2.487 409 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 409 V C -0.176 175.855 176.094 -0.106 0.000 1.028 409 V CA -0.989 61.182 62.300 -0.215 0.000 0.860 409 V CB 1.813 33.315 31.823 -0.537 0.000 0.991 409 V HN 0.871 nan 8.190 nan 0.000 0.427 410 N N 4.807 123.465 118.700 -0.070 0.000 2.439 410 N HA 0.161 4.901 4.740 -0.000 0.000 0.249 410 N C -1.160 174.362 175.510 0.020 0.000 1.003 410 N CA -0.393 52.646 53.050 -0.017 0.000 0.942 410 N CB 1.130 39.592 38.487 -0.041 0.000 1.115 410 N HN 0.831 nan 8.380 nan 0.000 0.505 411 W N 5.283 126.494 121.300 -0.149 0.000 2.361 411 W HA 0.290 4.950 4.660 -0.000 0.000 0.314 411 W C -0.761 175.702 176.519 -0.093 0.000 1.041 411 W CA -0.426 56.834 57.345 -0.142 0.000 1.241 411 W CB 0.934 30.311 29.460 -0.138 0.000 1.279 411 W HN 0.536 nan 8.180 nan 0.000 0.436 412 Q N 4.410 123.944 119.800 -0.442 0.000 2.182 412 Q HA 0.194 4.534 4.340 -0.000 0.000 0.270 412 Q C -0.604 175.177 176.000 -0.364 0.000 0.861 412 Q CA -0.159 55.472 55.803 -0.286 0.000 1.098 412 Q CB 1.668 30.285 28.738 -0.202 0.000 1.188 412 Q HN 0.096 nan 8.270 nan 0.000 0.464 413 V N 1.634 121.192 119.914 -0.594 0.000 2.444 413 V HA 0.263 4.383 4.120 -0.000 0.000 0.294 413 V C -0.104 175.939 176.094 -0.084 0.000 1.022 413 V CA -0.947 61.081 62.300 -0.454 0.000 0.850 413 V CB 1.762 33.095 31.823 -0.817 0.000 0.992 413 V HN 0.342 nan 8.190 nan 0.000 0.426 414 N N 2.368 121.053 118.700 -0.024 0.000 2.294 414 N HA 0.413 5.153 4.740 -0.000 0.000 0.248 414 N C 0.463 176.080 175.510 0.179 0.000 1.300 414 N CA 0.366 53.457 53.050 0.068 0.000 0.925 414 N CB 0.869 39.356 38.487 -0.000 0.000 1.188 414 N HN 0.795 nan 8.380 nan 0.000 0.512 415 G N -1.265 107.641 108.800 0.178 0.000 2.857 415 G HA2 0.620 4.580 3.960 -0.000 0.000 0.217 415 G HA3 0.620 4.580 3.960 -0.000 0.000 0.217 415 G C -1.070 173.891 174.900 0.101 0.000 1.357 415 G CA -0.324 44.897 45.100 0.202 0.000 1.033 415 G HN 0.325 nan 8.290 nan 0.000 0.571 416 V N -0.187 119.774 119.914 0.077 0.000 2.971 416 V HA 0.389 4.509 4.120 -0.000 0.000 0.309 416 V C -0.128 175.989 176.094 0.039 0.000 1.130 416 V CA -1.089 61.231 62.300 0.033 0.000 0.964 416 V CB 1.963 33.782 31.823 -0.007 0.000 1.029 416 V HN 0.810 nan 8.190 nan 0.000 0.427 417 K N 1.742 122.159 120.400 0.028 0.000 2.436 417 K HA 0.378 4.698 4.320 -0.000 0.000 0.275 417 K C 1.135 177.746 176.600 0.019 0.000 0.999 417 K CA 1.174 57.478 56.287 0.029 0.000 0.980 417 K CB 0.476 32.987 32.500 0.020 0.000 0.919 417 K HN 1.308 nan 8.250 nan 0.000 0.484 418 G N 2.820 111.633 108.800 0.022 0.000 2.199 418 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 418 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 418 G C -0.203 174.702 174.900 0.008 0.000 0.982 418 G CA 0.557 45.663 45.100 0.011 0.000 0.632 418 G HN 0.786 nan 8.290 nan 0.000 0.529 419 D N 0.017 120.428 120.400 0.019 0.000 2.342 419 D HA 0.586 5.226 4.640 -0.000 0.000 0.243 419 D C -0.431 175.904 176.300 0.058 0.000 1.019 419 D CA -0.819 53.191 54.000 0.017 0.000 0.864 419 D CB 0.687 41.479 40.800 -0.013 0.000 1.315 419 D HN 0.027 nan 8.370 nan 0.000 0.468 420 N N 2.571 121.317 118.700 0.076 0.000 2.372 420 N HA 0.280 5.020 4.740 -0.000 0.000 0.291 420 N C -1.076 174.554 175.510 0.199 0.000 1.024 420 N CA -0.627 52.492 53.050 0.115 0.000 0.873 420 N CB 1.821 40.381 38.487 0.121 0.000 1.206 420 N HN 0.401 nan 8.380 nan 0.000 0.486 421 L N 3.213 124.523 121.223 0.146 0.000 2.360 421 L HA 0.153 4.493 4.340 -0.000 0.000 0.276 421 L C -0.090 176.868 176.870 0.146 0.000 1.121 421 L CA 0.190 55.137 54.840 0.179 0.000 0.845 421 L CB -0.158 42.002 42.059 0.169 0.000 1.143 421 L HN 0.455 nan 8.230 nan 0.000 0.452 422 H N 5.317 124.394 119.070 0.012 0.000 2.488 422 H HA 0.355 4.911 4.556 -0.000 0.000 0.322 422 H C -0.680 174.630 175.328 -0.029 0.000 1.078 422 H CA -0.931 55.115 56.048 -0.003 0.000 1.260 422 H CB 1.515 31.313 29.762 0.060 0.000 1.425 422 H HN 0.396 nan 8.280 nan 0.000 0.471 423 K N 5.579 125.977 120.400 -0.003 0.000 2.426 423 K HA 0.323 4.643 4.320 -0.000 0.000 0.254 423 K C -0.962 175.620 176.600 -0.030 0.000 0.936 423 K CA -0.443 55.821 56.287 -0.038 0.000 0.801 423 K CB 1.058 33.500 32.500 -0.096 0.000 1.139 423 K HN 0.746 nan 8.250 nan 0.000 0.424 424 I N -1.070 119.491 120.570 -0.015 0.000 3.580 424 I HA 0.838 5.008 4.170 -0.000 0.000 0.296 424 I C 0.228 176.337 176.117 -0.012 0.000 1.146 424 I CA -0.850 60.441 61.300 -0.015 0.000 1.051 424 I CB 1.618 39.611 38.000 -0.012 0.000 1.364 424 I HN 0.684 nan 8.210 nan 0.000 0.482 425 G N 1.046 109.839 108.800 -0.010 0.000 2.705 425 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 425 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 425 G C -0.291 174.607 174.900 -0.003 0.000 1.285 425 G CA 0.073 45.171 45.100 -0.002 0.000 0.800 425 G HN 0.898 nan 8.290 nan 0.000 0.611 426 E N 0.267 120.467 120.200 0.001 0.000 2.481 426 E HA 0.202 4.552 4.350 -0.000 0.000 0.195 426 E C 1.918 178.520 176.600 0.003 0.000 1.047 426 E CA 0.406 56.806 56.400 0.001 0.000 0.867 426 E CB 0.180 29.881 29.700 0.003 0.000 0.858 426 E HN 0.819 nan 8.360 nan 0.000 0.513 427 G N 0.372 109.175 108.800 0.006 0.000 2.588 427 G HA2 0.176 4.136 3.960 -0.000 0.000 0.278 427 G HA3 0.176 4.136 3.960 -0.000 0.000 0.278 427 G C -0.246 174.650 174.900 -0.007 0.000 1.307 427 G CA -0.405 44.698 45.100 0.006 0.000 1.016 427 G HN -0.052 nan 8.290 nan 0.000 0.503 428 T N 0.106 114.653 114.554 -0.012 0.000 2.797 428 T HA 0.441 4.791 4.350 -0.000 0.000 0.279 428 T C -0.794 173.880 174.700 -0.043 0.000 0.991 428 T CA -0.212 61.876 62.100 -0.020 0.000 0.979 428 T CB 1.602 70.464 68.868 -0.011 0.000 0.943 428 T HN 0.317 nan 8.240 nan 0.000 0.444 429 L N 3.451 124.646 121.223 -0.046 0.000 2.319 429 L HA 0.519 4.859 4.340 -0.000 0.000 0.281 429 L C -0.232 176.634 176.870 -0.007 0.000 1.005 429 L CA -0.045 54.759 54.840 -0.061 0.000 0.828 429 L CB 1.484 43.483 42.059 -0.101 0.000 1.227 429 L HN 0.589 nan 8.230 nan 0.000 0.415 430 T N 4.544 119.105 114.554 0.011 0.000 2.744 430 T HA 0.461 4.811 4.350 -0.000 0.000 0.291 430 T C -0.282 174.471 174.700 0.088 0.000 0.957 430 T CA -0.292 61.831 62.100 0.038 0.000 1.002 430 T CB 1.028 69.907 68.868 0.018 0.000 0.919 430 T HN 0.313 nan 8.240 nan 0.000 0.468 431 V N 4.421 124.400 119.914 0.108 0.000 2.465 431 V HA 0.398 4.518 4.120 -0.000 0.000 0.279 431 V C 0.459 176.586 176.094 0.056 0.000 1.045 431 V CA -0.232 62.159 62.300 0.151 0.000 0.938 431 V CB 1.352 33.268 31.823 0.154 0.000 0.986 431 V HN 0.910 nan 8.190 nan 0.000 0.467 432 Q N 3.173 122.994 119.800 0.034 0.000 2.781 432 Q HA 0.317 4.657 4.340 -0.000 0.000 0.316 432 Q C 0.209 176.174 176.000 -0.058 0.000 0.768 432 Q CA -0.149 55.640 55.803 -0.023 0.000 1.035 432 Q CB 0.784 29.509 28.738 -0.021 0.000 1.466 432 Q HN 0.924 nan 8.270 nan 0.000 0.379 433 G N -0.159 108.597 108.800 -0.074 0.000 2.494 433 G HA2 0.465 4.425 3.960 -0.000 0.000 0.270 433 G HA3 0.465 4.425 3.960 -0.000 0.000 0.270 433 G C -0.419 174.429 174.900 -0.087 0.000 1.423 433 G CA 0.003 45.045 45.100 -0.097 0.000 1.055 433 G HN 0.231 nan 8.290 nan 0.000 0.536 434 T N -0.665 113.838 114.554 -0.084 0.000 2.881 434 T HA 0.623 4.973 4.350 -0.000 0.000 0.290 434 T C 0.489 175.150 174.700 -0.065 0.000 1.000 434 T CA 0.728 62.786 62.100 -0.069 0.000 0.978 434 T CB 1.128 69.960 68.868 -0.061 0.000 0.997 434 T HN 1.887 nan 8.240 nan 0.000 0.443 435 G N 2.544 111.310 108.800 -0.058 0.000 2.598 435 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 435 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 435 G C -0.428 174.436 174.900 -0.061 0.000 1.302 435 G CA -0.593 44.476 45.100 -0.051 0.000 0.903 435 G HN 0.881 nan 8.290 nan 0.000 0.575 436 I N 1.733 122.274 120.570 -0.049 0.000 2.294 436 I HA 0.156 4.326 4.170 -0.000 0.000 0.295 436 I C 0.544 176.632 176.117 -0.049 0.000 1.098 436 I CA -0.403 60.869 61.300 -0.048 0.000 1.277 436 I CB 0.742 38.725 38.000 -0.029 0.000 1.434 436 I HN 0.482 nan 8.210 nan 0.000 0.498 437 N N 5.899 124.551 118.700 -0.081 0.000 2.416 437 N HA -0.012 4.728 4.740 -0.000 0.000 0.265 437 N C 0.843 176.350 175.510 -0.006 0.000 1.195 437 N CA 0.270 53.282 53.050 -0.064 0.000 0.943 437 N CB 0.608 38.998 38.487 -0.162 0.000 1.115 437 N HN 0.472 nan 8.380 nan 0.000 0.481 438 E N 1.612 121.826 120.200 0.022 0.000 2.482 438 E HA 0.029 4.379 4.350 -0.000 0.000 0.196 438 E C 0.896 177.548 176.600 0.086 0.000 1.047 438 E CA 0.079 56.505 56.400 0.043 0.000 0.869 438 E CB 0.144 29.861 29.700 0.028 0.000 0.836 438 E HN 0.639 nan 8.360 nan 0.000 0.520 439 G N 0.835 109.715 108.800 0.132 0.000 2.562 439 G HA2 0.421 4.381 3.960 -0.000 0.000 0.275 439 G HA3 0.421 4.381 3.960 -0.000 0.000 0.275 439 G C 0.062 175.144 174.900 0.303 0.000 1.196 439 G CA -0.129 45.085 45.100 0.189 0.000 0.908 439 G HN 0.144 nan 8.290 nan 0.000 0.524 440 G N -1.668 107.254 108.800 0.203 0.000 2.601 440 G HA2 0.564 4.524 3.960 -0.000 0.000 0.317 440 G HA3 0.564 4.524 3.960 -0.000 0.000 0.317 440 G C -1.467 173.309 174.900 -0.208 0.000 1.246 440 G CA -0.591 44.560 45.100 0.085 0.000 1.012 440 G HN 0.805 nan 8.290 nan 0.000 0.494 441 L N -0.445 120.465 121.223 -0.522 0.000 2.409 441 L HA 0.595 4.935 4.340 -0.000 0.000 0.272 441 L C -0.609 176.001 176.870 -0.432 0.000 0.980 441 L CA -0.658 53.715 54.840 -0.778 0.000 0.826 441 L CB 1.740 42.889 42.059 -1.517 0.000 1.268 441 L HN 0.420 nan 8.230 nan 0.000 0.407 442 K N 4.774 124.946 120.400 -0.380 0.000 2.358 442 K HA 0.636 4.956 4.320 -0.000 0.000 0.260 442 K C -1.489 174.932 176.600 -0.299 0.000 0.956 442 K CA -0.769 55.297 56.287 -0.367 0.000 0.834 442 K CB 2.646 34.812 32.500 -0.557 0.000 1.102 442 K HN 0.412 nan 8.250 nan 0.000 0.431 443 V N 2.077 121.865 119.914 -0.210 0.000 2.495 443 V HA 0.580 4.700 4.120 -0.000 0.000 0.298 443 V C 0.298 176.339 176.094 -0.088 0.000 1.031 443 V CA -0.029 62.185 62.300 -0.143 0.000 0.871 443 V CB 1.469 33.213 31.823 -0.131 0.000 0.988 443 V HN 0.974 nan 8.190 nan 0.000 0.432 444 G N 4.119 112.883 108.800 -0.059 0.000 3.104 444 G HA2 0.324 4.284 3.960 -0.000 0.000 0.237 444 G HA3 0.324 4.284 3.960 -0.000 0.000 0.237 444 G C -0.153 174.736 174.900 -0.017 0.000 1.035 444 G CA 0.307 45.392 45.100 -0.025 0.000 0.844 444 G HN 0.647 nan 8.290 nan 0.000 0.531 445 D N -2.171 118.215 120.400 -0.023 0.000 2.639 445 D HA 0.475 5.115 4.640 -0.000 0.000 0.271 445 D C 0.907 177.198 176.300 -0.016 0.000 1.254 445 D CA 0.814 54.804 54.000 -0.015 0.000 0.810 445 D CB 1.126 41.917 40.800 -0.015 0.000 1.351 445 D HN 0.584 nan 8.370 nan 0.000 0.427 446 G N 1.331 110.125 108.800 -0.009 0.000 2.581 446 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.291 446 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.291 446 G C -0.402 174.493 174.900 -0.008 0.000 1.277 446 G CA 0.718 45.813 45.100 -0.007 0.000 0.959 446 G HN 0.692 nan 8.290 nan 0.000 0.554 447 K N -1.130 119.265 120.400 -0.009 0.000 2.378 447 K HA 0.634 4.954 4.320 -0.000 0.000 0.252 447 K C -1.092 175.504 176.600 -0.008 0.000 0.931 447 K CA -0.809 55.476 56.287 -0.004 0.000 0.794 447 K CB 2.131 34.633 32.500 0.003 0.000 1.181 447 K HN 0.502 nan 8.250 nan 0.000 0.425 448 V N 4.380 124.293 119.914 -0.001 0.000 2.409 448 V HA 0.323 4.443 4.120 -0.000 0.000 0.291 448 V C -0.655 175.459 176.094 0.032 0.000 1.020 448 V CA -0.910 61.397 62.300 0.011 0.000 0.848 448 V CB 1.677 33.504 31.823 0.006 0.000 0.990 448 V HN 0.524 nan 8.190 nan 0.000 0.430 449 V N 6.607 126.543 119.914 0.037 0.000 2.370 449 V HA 0.404 4.524 4.120 -0.000 0.000 0.279 449 V C 0.019 176.147 176.094 0.057 0.000 1.029 449 V CA -0.473 61.850 62.300 0.039 0.000 0.870 449 V CB 1.551 33.389 31.823 0.025 0.000 0.984 449 V HN 0.623 nan 8.190 nan 0.000 0.451 450 L N 4.958 126.217 121.223 0.060 0.000 2.270 450 L HA 0.454 4.794 4.340 -0.000 0.000 0.286 450 L C 0.432 177.316 176.870 0.024 0.000 1.059 450 L CA -0.078 54.800 54.840 0.063 0.000 0.839 450 L CB 0.471 42.581 42.059 0.085 0.000 1.221 450 L HN 0.615 nan 8.230 nan 0.000 0.431 451 N N 2.334 121.040 118.700 0.010 0.000 2.553 451 N HA 0.043 4.783 4.740 -0.000 0.000 0.298 451 N C -0.133 175.362 175.510 -0.025 0.000 1.596 451 N CA -0.439 52.608 53.050 -0.005 0.000 0.910 451 N CB 0.391 38.877 38.487 -0.001 0.000 1.336 451 N HN 0.489 nan 8.380 nan 0.000 0.497 452 Q N 0.557 120.330 119.800 -0.045 0.000 2.330 452 Q HA 0.109 4.449 4.340 -0.000 0.000 0.279 452 Q C -0.677 175.291 176.000 -0.052 0.000 1.024 452 Q CA 0.501 56.262 55.803 -0.069 0.000 0.900 452 Q CB 0.505 29.177 28.738 -0.110 0.000 1.221 452 Q HN 0.189 nan 8.270 nan 0.000 0.396 453 Q N 1.931 121.700 119.800 -0.053 0.000 2.293 453 Q HA 0.531 4.870 4.340 -0.000 0.000 0.261 453 Q C -0.934 175.039 176.000 -0.045 0.000 0.960 453 Q CA -0.470 55.307 55.803 -0.044 0.000 0.882 453 Q CB 1.841 30.555 28.738 -0.040 0.000 1.275 453 Q HN 0.814 nan 8.270 nan 0.000 0.445 454 A N 2.950 125.747 122.820 -0.038 0.000 2.531 454 A HA 0.143 4.463 4.320 -0.000 0.000 0.236 454 A C 0.236 177.800 177.584 -0.034 0.000 1.062 454 A CA -0.159 51.857 52.037 -0.035 0.000 0.760 454 A CB -0.074 18.909 19.000 -0.029 0.000 0.995 454 A HN 0.741 nan 8.150 nan 0.000 0.501 455 D N 1.277 121.657 120.400 -0.034 0.000 2.398 455 D HA 0.029 4.669 4.640 -0.000 0.000 0.264 455 D C 1.004 177.289 176.300 -0.026 0.000 1.263 455 D CA 0.117 54.098 54.000 -0.031 0.000 1.037 455 D CB 0.001 40.782 40.800 -0.032 0.000 1.101 455 D HN 0.507 nan 8.370 nan 0.000 0.551 456 N N -0.804 117.882 118.700 -0.024 0.000 2.519 456 N HA -0.210 4.530 4.740 -0.000 0.000 0.186 456 N C 0.449 175.948 175.510 -0.018 0.000 1.062 456 N CA 1.065 54.103 53.050 -0.020 0.000 0.910 456 N CB -0.339 38.137 38.487 -0.018 0.000 0.958 456 N HN 0.431 nan 8.380 nan 0.000 0.445 457 K N -0.767 119.622 120.400 -0.019 0.000 2.570 457 K HA 0.263 4.583 4.320 -0.000 0.000 0.210 457 K C 0.776 177.365 176.600 -0.018 0.000 1.048 457 K CA 0.234 56.511 56.287 -0.017 0.000 1.167 457 K CB 0.100 32.590 32.500 -0.017 0.000 0.892 457 K HN 0.304 nan 8.250 nan 0.000 0.480 458 G N 1.844 110.632 108.800 -0.019 0.000 2.382 458 G HA2 -0.402 3.557 3.960 -0.000 0.000 0.259 458 G HA3 -0.402 3.557 3.960 -0.000 0.000 0.259 458 G C 0.142 175.028 174.900 -0.023 0.000 1.009 458 G CA 0.791 45.879 45.100 -0.020 0.000 0.625 458 G HN 0.548 nan 8.290 nan 0.000 0.541 459 Q N -0.400 119.386 119.800 -0.024 0.000 2.392 459 Q HA 0.667 5.007 4.340 -0.000 0.000 0.262 459 Q C -0.347 175.634 176.000 -0.033 0.000 1.003 459 Q CA -0.005 55.783 55.803 -0.026 0.000 0.888 459 Q CB 2.375 31.099 28.738 -0.024 0.000 1.260 459 Q HN 0.971 nan 8.270 nan 0.000 0.435 460 V N 1.583 121.476 119.914 -0.036 0.000 2.839 460 V HA 0.244 4.364 4.120 -0.000 0.000 0.284 460 V C -1.999 174.066 176.094 -0.048 0.000 1.397 460 V CA -0.317 61.956 62.300 -0.046 0.000 0.938 460 V CB 1.953 33.750 31.823 -0.043 0.000 1.112 460 V HN 0.974 nan 8.190 nan 0.000 0.443 461 Q N 5.631 125.393 119.800 -0.063 0.000 2.263 461 Q HA 0.729 5.069 4.340 -0.000 0.000 0.262 461 Q C 0.335 176.256 176.000 -0.131 0.000 0.984 461 Q CA 0.128 55.891 55.803 -0.066 0.000 0.813 461 Q CB 2.260 30.974 28.738 -0.039 0.000 1.299 461 Q HN 1.120 nan 8.270 nan 0.000 0.428 462 A N 4.060 126.783 122.820 -0.161 0.000 1.898 462 A HA 0.175 4.495 4.320 -0.000 0.000 0.216 462 A C -0.189 176.921 177.584 -0.789 0.000 1.181 462 A CA 1.239 53.038 52.037 -0.398 0.000 0.620 462 A CB 0.079 18.914 19.000 -0.276 0.000 0.819 462 A HN 0.606 nan 8.150 nan 0.000 0.442 463 F N -3.367 116.589 119.950 0.010 0.000 2.711 463 F HA 0.369 4.896 4.527 -0.000 0.000 0.313 463 F C 1.099 176.899 175.800 0.000 0.000 1.141 463 F CA -0.233 57.774 58.000 0.011 0.000 0.941 463 F CB 1.513 40.516 39.000 0.005 0.000 1.349 463 F HN -0.076 nan 8.300 nan 0.000 0.464 464 S N -1.099 114.740 115.700 0.233 0.000 2.524 464 S HA 0.398 4.868 4.470 -0.000 0.000 0.215 464 S C -0.009 174.645 174.600 0.090 0.000 0.986 464 S CA 0.476 58.745 58.200 0.115 0.000 0.911 464 S CB -0.176 63.076 63.200 0.087 0.000 0.805 464 S HN 0.913 nan 8.310 nan 0.000 0.501 465 S N -0.401 115.360 115.700 0.103 0.000 2.558 465 S HA 0.636 5.106 4.470 -0.000 0.000 0.277 465 S C -1.526 173.057 174.600 -0.028 0.000 1.143 465 S CA -0.753 57.467 58.200 0.033 0.000 0.865 465 S CB 1.358 64.566 63.200 0.014 0.000 1.102 465 S HN 0.263 nan 8.310 nan 0.000 0.454 466 V N 2.975 122.842 119.914 -0.078 0.000 2.531 466 V HA 0.607 4.727 4.120 -0.000 0.000 0.301 466 V C -0.551 175.431 176.094 -0.188 0.000 1.034 466 V CA -0.672 61.525 62.300 -0.172 0.000 0.865 466 V CB 1.732 33.464 31.823 -0.151 0.000 0.995 466 V HN 0.966 nan 8.190 nan 0.000 0.424 467 N N 4.910 123.491 118.700 -0.199 0.000 2.372 467 N HA 0.570 5.310 4.740 -0.000 0.000 0.285 467 N C -1.460 173.950 175.510 -0.166 0.000 1.008 467 N CA -0.437 52.519 53.050 -0.158 0.000 0.880 467 N CB 1.814 40.243 38.487 -0.097 0.000 1.239 467 N HN 0.628 nan 8.380 nan 0.000 0.484 468 I N 2.482 122.951 120.570 -0.168 0.000 2.362 468 I HA 0.554 4.724 4.170 -0.000 0.000 0.289 468 I C -0.057 176.081 176.117 0.035 0.000 0.994 468 I CA -0.482 60.747 61.300 -0.119 0.000 1.158 468 I CB 1.647 39.497 38.000 -0.251 0.000 1.315 468 I HN 0.538 nan 8.210 nan 0.000 0.451 469 A N 3.874 126.720 122.820 0.043 0.000 2.593 469 A HA 0.767 5.087 4.320 -0.000 0.000 0.290 469 A C 0.344 177.973 177.584 0.074 0.000 1.126 469 A CA 0.232 52.327 52.037 0.096 0.000 0.695 469 A CB 1.611 20.692 19.000 0.135 0.000 1.290 469 A HN 1.223 nan 8.150 nan 0.000 0.414 470 S N -1.314 114.439 115.700 0.089 0.000 2.044 470 S HA -0.008 4.462 4.470 -0.000 0.000 0.248 470 S C 2.190 176.784 174.600 -0.011 0.000 1.146 470 S CA 1.666 59.903 58.200 0.060 0.000 1.370 470 S CB -1.954 61.276 63.200 0.051 0.000 1.698 470 S HN 3.096 nan 8.310 nan 0.000 0.578 471 G N 1.581 110.376 108.800 -0.009 0.000 2.179 471 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 471 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 471 G C 0.659 175.550 174.900 -0.014 0.000 0.977 471 G CA 0.863 45.946 45.100 -0.029 0.000 0.641 471 G HN 0.926 nan 8.290 nan 0.000 0.533 472 R N 0.345 120.844 120.500 -0.002 0.000 2.189 472 R HA 0.175 4.515 4.340 -0.000 0.000 0.203 472 R C -1.652 174.650 176.300 0.004 0.000 1.012 472 R CA 0.705 56.803 56.100 -0.003 0.000 1.015 472 R CB -0.231 30.067 30.300 -0.004 0.000 0.938 472 R HN 0.475 nan 8.270 nan 0.000 0.472 473 P HA 0.281 nan 4.420 nan 0.000 0.285 473 P C -0.946 176.368 177.300 0.024 0.000 1.280 473 P CA -0.228 62.877 63.100 0.008 0.000 0.862 473 P CB 1.965 33.662 31.700 -0.006 0.000 1.153 474 T N -0.096 114.469 114.554 0.018 0.000 2.881 474 T HA 0.394 4.744 4.350 -0.000 0.000 0.290 474 T C -0.627 174.086 174.700 0.021 0.000 1.000 474 T CA -0.404 61.716 62.100 0.034 0.000 0.978 474 T CB 1.173 70.061 68.868 0.032 0.000 0.997 474 T HN 0.085 nan 8.240 nan 0.000 0.443 475 V N 3.559 123.489 119.914 0.028 0.000 2.384 475 V HA 0.441 4.561 4.120 -0.000 0.000 0.287 475 V C -0.105 176.015 176.094 0.042 0.000 1.020 475 V CA -0.766 61.545 62.300 0.019 0.000 0.850 475 V CB 1.652 33.466 31.823 -0.014 0.000 0.987 475 V HN 0.743 nan 8.190 nan 0.000 0.436 476 V N 6.487 126.425 119.914 0.041 0.000 2.407 476 V HA 0.415 4.535 4.120 -0.000 0.000 0.278 476 V C 0.067 176.188 176.094 0.045 0.000 1.037 476 V CA -0.499 61.828 62.300 0.045 0.000 0.900 476 V CB 1.463 33.307 31.823 0.035 0.000 0.983 476 V HN 0.608 nan 8.190 nan 0.000 0.459 477 L N 4.471 125.722 121.223 0.048 0.000 2.292 477 L HA 0.353 4.693 4.340 -0.000 0.000 0.284 477 L C 1.529 178.416 176.870 0.029 0.000 1.065 477 L CA -0.147 54.717 54.840 0.040 0.000 0.806 477 L CB 1.687 43.771 42.059 0.043 0.000 1.175 477 L HN 0.876 nan 8.230 nan 0.000 0.431 478 T N -2.127 112.439 114.554 0.019 0.000 3.051 478 T HA 0.094 4.444 4.350 -0.000 0.000 0.255 478 T C 0.170 174.874 174.700 0.007 0.000 1.085 478 T CA 0.506 62.614 62.100 0.013 0.000 1.109 478 T CB -0.008 68.864 68.868 0.007 0.000 0.921 478 T HN 0.775 nan 8.240 nan 0.000 0.488 479 D N -0.195 120.207 120.400 0.004 0.000 2.838 479 D HA 0.289 4.929 4.640 -0.000 0.000 0.334 479 D C -0.036 176.260 176.300 -0.007 0.000 1.315 479 D CA -0.787 53.212 54.000 -0.002 0.000 0.917 479 D CB 0.428 41.224 40.800 -0.008 0.000 1.435 479 D HN 0.059 nan 8.370 nan 0.000 0.517 480 E N -0.913 119.278 120.200 -0.015 0.000 2.511 480 E HA 0.136 4.486 4.350 -0.000 0.000 0.196 480 E C 1.233 177.813 176.600 -0.034 0.000 1.066 480 E CA 0.276 56.659 56.400 -0.027 0.000 0.871 480 E CB -0.053 29.630 29.700 -0.029 0.000 0.863 480 E HN 0.223 nan 8.360 nan 0.000 0.520 481 R N 0.274 120.757 120.500 -0.027 0.000 2.308 481 R HA 0.148 4.488 4.340 -0.000 0.000 0.202 481 R C 1.435 177.717 176.300 -0.030 0.000 0.898 481 R CA 0.161 56.243 56.100 -0.029 0.000 1.046 481 R CB 0.211 30.495 30.300 -0.027 0.000 1.026 481 R HN 0.200 nan 8.270 nan 0.000 0.512 482 Q N 0.742 120.527 119.800 -0.024 0.000 2.061 482 Q HA -0.060 4.280 4.340 -0.000 0.000 0.204 482 Q C 1.284 177.280 176.000 -0.007 0.000 0.984 482 Q CA 1.349 57.142 55.803 -0.017 0.000 0.846 482 Q CB -0.114 28.626 28.738 0.004 0.000 0.902 482 Q HN 0.235 nan 8.270 nan 0.000 0.421 483 V N -2.361 117.548 119.914 -0.008 0.000 3.147 483 V HA 0.459 4.579 4.120 -0.000 0.000 0.306 483 V C -0.473 175.596 176.094 -0.041 0.000 1.209 483 V CA -1.540 60.759 62.300 -0.002 0.000 1.023 483 V CB 1.910 33.747 31.823 0.024 0.000 1.059 483 V HN 0.002 nan 8.190 nan 0.000 0.435 484 N N 3.233 121.914 118.700 -0.031 0.000 2.427 484 N HA 0.286 5.026 4.740 -0.000 0.000 0.269 484 N C -1.667 173.788 175.510 -0.091 0.000 1.235 484 N CA -1.638 51.381 53.050 -0.053 0.000 0.934 484 N CB 1.343 39.820 38.487 -0.016 0.000 1.121 484 N HN 0.501 nan 8.380 nan 0.000 0.480 485 P HA -0.092 nan 4.420 nan 0.000 0.218 485 P C 0.251 177.476 177.300 -0.125 0.000 1.146 485 P CA 1.042 63.892 63.100 -0.416 0.000 0.813 485 P CB 0.305 31.281 31.700 -1.207 0.000 0.778 486 D N -1.590 118.800 120.400 -0.016 0.000 2.378 486 D HA -0.067 4.573 4.640 -0.000 0.000 0.222 486 D C 1.397 177.772 176.300 0.125 0.000 0.980 486 D CA 1.302 55.390 54.000 0.146 0.000 0.907 486 D CB -0.616 40.276 40.800 0.153 0.000 0.899 486 D HN 0.318 nan 8.370 nan 0.000 0.527 487 T N -2.750 111.841 114.554 0.062 0.000 3.092 487 T HA 0.227 4.577 4.350 -0.000 0.000 0.258 487 T C 0.565 175.276 174.700 0.018 0.000 1.031 487 T CA -0.382 61.747 62.100 0.048 0.000 0.925 487 T CB 0.148 69.036 68.868 0.033 0.000 1.036 487 T HN -0.243 nan 8.240 nan 0.000 0.544 488 V N 3.360 123.284 119.914 0.017 0.000 2.465 488 V HA 0.642 4.762 4.120 -0.000 0.000 0.279 488 V C 0.230 176.270 176.094 -0.090 0.000 1.045 488 V CA -0.530 61.702 62.300 -0.115 0.000 0.938 488 V CB 1.005 32.720 31.823 -0.180 0.000 0.986 488 V HN 0.721 nan 8.190 nan 0.000 0.467 489 S N 4.140 119.736 115.700 -0.174 0.000 2.541 489 S HA 0.639 5.109 4.470 -0.000 0.000 0.280 489 S C -1.342 173.240 174.600 -0.029 0.000 1.112 489 S CA -0.870 57.354 58.200 0.041 0.000 0.925 489 S CB 1.637 64.907 63.200 0.118 0.000 1.067 489 S HN 0.629 nan 8.310 nan 0.000 0.479 490 W N 1.960 123.334 121.300 0.122 0.000 2.329 490 W HA 0.528 5.188 4.660 -0.000 0.000 0.312 490 W C 0.685 177.262 176.519 0.097 0.000 1.054 490 W CA -0.847 56.554 57.345 0.094 0.000 1.245 490 W CB 1.957 31.471 29.460 0.090 0.000 1.255 490 W HN 1.083 nan 8.180 nan 0.000 0.436 491 G N 1.574 110.535 108.800 0.267 0.000 2.510 491 G HA2 0.077 4.037 3.960 -0.000 0.000 0.280 491 G HA3 0.077 4.037 3.960 -0.000 0.000 0.280 491 G C -1.170 173.883 174.900 0.254 0.000 1.386 491 G CA -0.650 44.592 45.100 0.236 0.000 1.047 491 G HN 0.451 nan 8.290 nan 0.000 0.527 492 Y N 0.902 121.277 120.300 0.125 0.000 2.887 492 Y HA -0.100 4.450 4.550 -0.000 0.000 0.350 492 Y C 1.776 177.728 175.900 0.087 0.000 1.294 492 Y CA 1.411 59.573 58.100 0.103 0.000 1.622 492 Y CB 0.007 38.533 38.460 0.110 0.000 1.201 492 Y HN 0.741 nan 8.280 nan 0.000 0.546 493 R N 2.282 122.591 120.500 -0.318 0.000 3.997 493 R HA -0.303 4.036 4.340 -0.000 0.000 0.431 493 R C 1.220 177.472 176.300 -0.080 0.000 1.066 493 R CA 0.893 56.816 56.100 -0.296 0.000 1.382 493 R CB -2.093 27.949 30.300 -0.431 0.000 1.978 493 R HN 1.395 nan 8.270 nan 0.000 0.550 494 G N -0.535 108.303 108.800 0.062 0.000 2.561 494 G HA2 0.053 4.013 3.960 -0.000 0.000 0.289 494 G HA3 0.053 4.013 3.960 -0.000 0.000 0.289 494 G C 0.520 175.539 174.900 0.198 0.000 1.169 494 G CA 0.715 45.947 45.100 0.220 0.000 0.980 494 G HN 1.453 nan 8.290 nan 0.000 0.550 495 G N -3.514 105.406 108.800 0.201 0.000 2.331 495 G HA2 0.511 4.471 3.960 -0.000 0.000 0.479 495 G HA3 0.511 4.471 3.960 -0.000 0.000 0.479 495 G C -0.501 174.580 174.900 0.301 0.000 1.262 495 G CA 0.450 45.651 45.100 0.169 0.000 1.029 495 G HN 1.930 nan 8.290 nan 0.000 0.487 496 T N 0.482 115.171 114.554 0.225 0.000 2.807 496 T HA 0.566 4.916 4.350 -0.000 0.000 0.279 496 T C -0.580 174.268 174.700 0.246 0.000 0.993 496 T CA -0.294 61.961 62.100 0.258 0.000 0.970 496 T CB 1.674 70.617 68.868 0.126 0.000 0.950 496 T HN 0.979 nan 8.240 nan 0.000 0.441 497 L N 4.054 125.491 121.223 0.357 0.000 2.264 497 L HA 0.469 4.809 4.340 -0.000 0.000 0.287 497 L C -0.504 176.492 176.870 0.209 0.000 1.039 497 L CA -0.504 54.478 54.840 0.236 0.000 0.829 497 L CB 0.524 42.770 42.059 0.312 0.000 1.211 497 L HN 0.494 nan 8.230 nan 0.000 0.427 498 D N 3.517 123.998 120.400 0.135 0.000 2.396 498 D HA 0.100 4.740 4.640 -0.000 0.000 0.225 498 D C 1.083 177.445 176.300 0.102 0.000 1.121 498 D CA -0.293 53.771 54.000 0.108 0.000 0.853 498 D CB 1.457 42.302 40.800 0.075 0.000 1.043 498 D HN 0.400 nan 8.370 nan 0.000 0.500 499 V N 2.150 122.133 119.914 0.115 0.000 3.141 499 V HA -0.015 4.105 4.120 -0.000 0.000 0.265 499 V C 0.941 177.076 176.094 0.068 0.000 1.126 499 V CA 0.700 63.062 62.300 0.104 0.000 1.141 499 V CB -1.563 30.336 31.823 0.128 0.000 0.743 499 V HN 0.799 nan 8.190 nan 0.000 0.492 500 N N 1.052 119.788 118.700 0.060 0.000 2.714 500 N HA -0.127 4.613 4.740 -0.000 0.000 0.253 500 N C 0.898 176.429 175.510 0.035 0.000 1.024 500 N CA 1.458 54.534 53.050 0.043 0.000 0.726 500 N CB -1.407 37.103 38.487 0.039 0.000 0.908 500 N HN 1.682 nan 8.380 nan 0.000 0.542 501 G N -0.863 107.959 108.800 0.037 0.000 2.148 501 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.254 501 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.254 501 G C -0.343 174.572 174.900 0.026 0.000 0.981 501 G CA 0.248 45.365 45.100 0.028 0.000 0.670 501 G HN 0.655 nan 8.290 nan 0.000 0.528 502 N N 0.669 119.388 118.700 0.033 0.000 2.392 502 N HA 0.476 5.216 4.740 -0.000 0.000 0.283 502 N C -0.326 175.204 175.510 0.033 0.000 1.003 502 N CA -0.230 52.835 53.050 0.025 0.000 0.892 502 N CB 1.666 40.166 38.487 0.022 0.000 1.193 502 N HN 0.142 nan 8.380 nan 0.000 0.487 503 S N 1.787 117.498 115.700 0.019 0.000 2.584 503 S HA 0.521 4.991 4.470 -0.000 0.000 0.273 503 S C 0.145 174.749 174.600 0.006 0.000 1.311 503 S CA -0.372 57.839 58.200 0.019 0.000 1.034 503 S CB 0.742 63.943 63.200 0.002 0.000 0.939 503 S HN 0.332 nan 8.310 nan 0.000 0.513 504 L N 1.482 122.717 121.223 0.020 0.000 2.466 504 L HA 0.454 4.794 4.340 -0.000 0.000 0.258 504 L C -0.565 176.282 176.870 -0.038 0.000 0.973 504 L CA -0.667 54.148 54.840 -0.041 0.000 0.826 504 L CB 2.652 44.686 42.059 -0.042 0.000 1.372 504 L HN 0.507 nan 8.230 nan 0.000 0.409 505 T N 1.524 115.983 114.554 -0.158 0.000 2.795 505 T HA 0.623 4.973 4.350 -0.000 0.000 0.282 505 T C -0.891 173.611 174.700 -0.331 0.000 0.980 505 T CA -0.175 61.820 62.100 -0.174 0.000 1.012 505 T CB 0.579 69.311 68.868 -0.227 0.000 0.936 505 T HN 0.091 nan 8.240 nan 0.000 0.457 506 F N 1.266 121.082 119.950 -0.223 0.000 2.495 506 F HA 0.399 4.926 4.527 -0.000 0.000 0.327 506 F C 1.003 176.638 175.800 -0.275 0.000 1.103 506 F CA -0.896 57.003 58.000 -0.169 0.000 0.949 506 F CB 1.488 40.450 39.000 -0.062 0.000 1.142 506 F HN 0.703 nan 8.300 nan 0.000 0.457 507 H N -0.400 118.761 119.070 0.152 0.000 2.592 507 H HA 0.152 4.708 4.556 -0.000 0.000 0.265 507 H C -0.253 175.119 175.328 0.074 0.000 0.955 507 H CA 0.190 56.287 56.048 0.081 0.000 1.175 507 H CB 0.460 30.254 29.762 0.054 0.000 1.433 507 H HN 0.565 nan 8.280 nan 0.000 0.537 508 Q N 0.058 120.009 119.800 0.252 0.000 2.482 508 Q HA 0.399 4.739 4.340 -0.000 0.000 0.286 508 Q C -1.718 174.501 176.000 0.365 0.000 1.007 508 Q CA -0.885 55.072 55.803 0.256 0.000 0.801 508 Q CB 1.878 30.831 28.738 0.359 0.000 1.455 508 Q HN 0.095 nan 8.270 nan 0.000 0.398 509 L N 2.064 123.564 121.223 0.463 0.000 2.433 509 L HA 0.400 4.740 4.340 -0.000 0.000 0.256 509 L C -0.518 176.666 176.870 0.524 0.000 1.063 509 L CA -0.790 54.280 54.840 0.383 0.000 0.922 509 L CB 1.372 43.435 42.059 0.007 0.000 1.238 509 L HN 0.534 nan 8.230 nan 0.000 0.466 510 K N 3.048 123.774 120.400 0.543 0.000 2.083 510 K HA 0.392 4.712 4.320 -0.000 0.000 0.246 510 K C -0.178 176.755 176.600 0.556 0.000 1.160 510 K CA -0.029 56.542 56.287 0.473 0.000 1.060 510 K CB 0.751 33.468 32.500 0.361 0.000 1.417 510 K HN 0.518 nan 8.250 nan 0.000 0.329 511 A N 1.359 124.459 122.820 0.467 0.000 2.319 511 A HA 0.579 4.899 4.320 -0.000 0.000 0.310 511 A C 0.882 178.630 177.584 0.273 0.000 1.152 511 A CA -0.411 51.855 52.037 0.382 0.000 0.783 511 A CB 1.379 20.496 19.000 0.194 0.000 1.184 511 A HN 0.540 nan 8.150 nan 0.000 0.474 512 A N 2.210 125.182 122.820 0.253 0.000 1.930 512 A HA 0.310 4.630 4.320 -0.000 0.000 0.217 512 A C 0.826 178.479 177.584 0.114 0.000 1.175 512 A CA 2.131 54.292 52.037 0.207 0.000 0.627 512 A CB -0.322 18.801 19.000 0.205 0.000 0.815 512 A HN 1.012 nan 8.150 nan 0.000 0.443 513 D N -5.884 114.525 120.400 0.015 0.000 2.970 513 D HA 0.103 4.743 4.640 -0.000 0.000 0.344 513 D C 0.192 176.399 176.300 -0.155 0.000 1.365 513 D CA -0.464 53.459 54.000 -0.129 0.000 0.910 513 D CB -0.456 40.270 40.800 -0.123 0.000 1.445 513 D HN -0.107 nan 8.370 nan 0.000 0.532 514 Y N 0.387 120.478 120.300 -0.349 0.000 2.509 514 Y HA 0.237 4.787 4.550 -0.000 0.000 0.293 514 Y C 2.005 177.728 175.900 -0.296 0.000 1.133 514 Y CA 1.824 59.708 58.100 -0.361 0.000 1.283 514 Y CB -0.302 37.935 38.460 -0.372 0.000 1.001 514 Y HN 0.538 nan 8.280 nan 0.000 0.555 515 G N -0.115 108.515 108.800 -0.284 0.000 2.650 515 G HA2 0.038 3.998 3.960 -0.000 0.000 0.214 515 G HA3 0.038 3.998 3.960 -0.000 0.000 0.214 515 G C 0.636 175.363 174.900 -0.288 0.000 1.136 515 G CA 0.244 45.166 45.100 -0.296 0.000 0.789 515 G HN 0.513 nan 8.290 nan 0.000 0.536 516 A N 0.701 123.297 122.820 -0.373 0.000 2.444 516 A HA 0.518 4.838 4.320 -0.000 0.000 0.287 516 A C -0.228 176.909 177.584 -0.745 0.000 1.195 516 A CA -0.064 51.542 52.037 -0.718 0.000 0.858 516 A CB 0.209 18.656 19.000 -0.921 0.000 1.117 516 A HN 0.145 nan 8.150 nan 0.000 0.521 517 V N 4.316 123.980 119.914 -0.417 0.000 2.435 517 V HA 0.410 4.530 4.120 -0.000 0.000 0.290 517 V C -0.293 175.810 176.094 0.015 0.000 1.030 517 V CA -0.599 61.588 62.300 -0.188 0.000 0.881 517 V CB 1.354 33.135 31.823 -0.070 0.000 0.983 517 V HN 0.776 nan 8.190 nan 0.000 0.445 518 L N 5.318 126.543 121.223 0.003 0.000 2.319 518 L HA 0.937 5.277 4.340 -0.000 0.000 0.281 518 L C -0.085 176.848 176.870 0.104 0.000 1.005 518 L CA -0.151 54.770 54.840 0.136 0.000 0.828 518 L CB 0.886 42.937 42.059 -0.013 0.000 1.227 518 L HN 0.793 nan 8.230 nan 0.000 0.415 519 A N 4.030 126.931 122.820 0.136 0.000 2.532 519 A HA 0.821 5.141 4.320 -0.000 0.000 0.290 519 A C -1.369 176.272 177.584 0.095 0.000 1.143 519 A CA -0.681 51.411 52.037 0.093 0.000 0.728 519 A CB 1.522 20.566 19.000 0.072 0.000 1.317 519 A HN 0.655 nan 8.150 nan 0.000 0.414 520 N N 0.492 119.235 118.700 0.072 0.000 2.549 520 N HA 0.243 4.983 4.740 -0.000 0.000 0.281 520 N C -1.084 174.454 175.510 0.048 0.000 1.084 520 N CA -0.439 52.649 53.050 0.063 0.000 0.862 520 N CB 0.881 39.404 38.487 0.061 0.000 1.333 520 N HN 0.456 nan 8.380 nan 0.000 0.523 521 N N 1.610 120.336 118.700 0.043 0.000 2.314 521 N HA 0.099 4.839 4.740 -0.000 0.000 0.200 521 N C -0.497 175.029 175.510 0.026 0.000 1.135 521 N CA 0.206 53.275 53.050 0.032 0.000 0.835 521 N CB 0.736 39.241 38.487 0.029 0.000 0.989 521 N HN 0.256 nan 8.380 nan 0.000 0.478 522 V N 1.388 121.319 119.914 0.028 0.000 2.769 522 V HA 0.082 4.202 4.120 -0.000 0.000 0.312 522 V C 0.650 176.757 176.094 0.021 0.000 1.058 522 V CA -0.725 61.588 62.300 0.023 0.000 0.952 522 V CB 2.146 33.983 31.823 0.023 0.000 1.019 522 V HN 0.145 nan 8.190 nan 0.000 0.445 523 D N 2.485 122.895 120.400 0.017 0.000 2.378 523 D HA -0.118 4.522 4.640 -0.000 0.000 0.227 523 D C 0.647 176.956 176.300 0.016 0.000 1.012 523 D CA 0.397 54.406 54.000 0.016 0.000 0.905 523 D CB 0.058 40.865 40.800 0.012 0.000 0.895 523 D HN 0.437 nan 8.370 nan 0.000 0.532 524 K N 1.101 121.511 120.400 0.016 0.000 2.284 524 K HA 0.113 4.433 4.320 -0.000 0.000 0.287 524 K C 0.113 176.725 176.600 0.020 0.000 1.081 524 K CA -0.761 55.536 56.287 0.016 0.000 0.910 524 K CB 0.744 33.252 32.500 0.014 0.000 1.088 524 K HN -0.085 nan 8.250 nan 0.000 0.478 525 R N 2.677 123.188 120.500 0.019 0.000 2.643 525 R HA 0.230 4.570 4.340 -0.000 0.000 0.270 525 R C -1.128 175.185 176.300 0.022 0.000 1.061 525 R CA 0.200 56.314 56.100 0.023 0.000 1.107 525 R CB 0.733 31.046 30.300 0.022 0.000 0.999 525 R HN 0.696 nan 8.270 nan 0.000 0.460 526 A N 2.227 125.063 122.820 0.028 0.000 2.515 526 A HA 0.558 4.878 4.320 -0.000 0.000 0.296 526 A C -1.218 176.380 177.584 0.025 0.000 1.094 526 A CA -0.739 51.314 52.037 0.027 0.000 0.718 526 A CB 2.188 21.213 19.000 0.040 0.000 1.307 526 A HN 0.685 nan 8.150 nan 0.000 0.408 527 T N 2.290 116.853 114.554 0.016 0.000 2.807 527 T HA 0.514 4.863 4.350 -0.000 0.000 0.279 527 T C -0.474 174.232 174.700 0.010 0.000 0.993 527 T CA -0.273 61.825 62.100 -0.003 0.000 0.970 527 T CB 0.753 69.607 68.868 -0.022 0.000 0.950 527 T HN 0.409 nan 8.240 nan 0.000 0.441 528 I N 3.546 124.112 120.570 -0.006 0.000 2.321 528 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 528 I C 0.534 176.631 176.117 -0.035 0.000 0.998 528 I CA -0.460 60.858 61.300 0.030 0.000 1.227 528 I CB 0.789 38.783 38.000 -0.010 0.000 1.368 528 I HN 0.564 nan 8.210 nan 0.000 0.466 529 T N 7.645 122.202 114.554 0.005 0.000 2.758 529 T HA 0.600 4.950 4.350 -0.000 0.000 0.285 529 T C 0.274 174.949 174.700 -0.041 0.000 0.981 529 T CA -0.447 61.619 62.100 -0.057 0.000 0.965 529 T CB 1.089 69.914 68.868 -0.073 0.000 0.927 529 T HN 0.252 nan 8.240 nan 0.000 0.448 530 L N 2.815 123.989 121.223 -0.082 0.000 2.360 530 L HA 0.637 4.977 4.340 -0.000 0.000 0.271 530 L C 0.351 177.143 176.870 -0.129 0.000 1.057 530 L CA -0.560 54.244 54.840 -0.060 0.000 0.803 530 L CB 0.809 42.870 42.059 0.004 0.000 1.207 530 L HN 0.556 nan 8.230 nan 0.000 0.445 531 D N 0.745 121.062 120.400 -0.138 0.000 3.602 531 D HA 0.109 4.749 4.640 -0.000 0.000 0.275 531 D C -0.673 175.592 176.300 -0.059 0.000 1.348 531 D CA -0.338 53.556 54.000 -0.176 0.000 0.768 531 D CB 0.206 40.907 40.800 -0.164 0.000 1.373 531 D HN 0.320 nan 8.370 nan 0.000 0.683 612 Y N -0.600 119.540 120.300 -0.266 0.000 2.558 612 Y HA 0.715 5.265 4.550 -0.000 0.000 0.333 612 Y C -1.817 173.757 175.900 -0.543 0.000 1.125 612 Y CA -0.869 56.946 58.100 -0.475 0.000 1.039 612 Y CB 2.225 39.956 38.460 -1.215 0.000 1.331 612 Y HN 0.618 nan 8.280 nan 0.000 0.456 613 L N 5.503 125.951 121.223 -1.292 0.000 2.386 613 L HA 0.724 5.064 4.340 -0.000 0.000 0.271 613 L C -2.260 174.043 176.870 -0.945 0.000 0.993 613 L CA -0.775 53.368 54.840 -1.161 0.000 0.819 613 L CB 1.591 42.752 42.059 -1.498 0.000 1.294 613 L HN 0.505 nan 8.230 nan 0.000 0.414 614 F N 4.046 123.605 119.950 -0.652 0.000 2.562 614 F HA 0.443 4.970 4.527 -0.000 0.000 0.319 614 F C 0.112 175.727 175.800 -0.309 0.000 1.154 614 F CA -0.375 57.370 58.000 -0.425 0.000 0.931 614 F CB 1.250 40.160 39.000 -0.150 0.000 1.198 614 F HN 0.645 nan 8.300 nan 0.000 0.444 615 H N 3.414 122.057 119.070 -0.712 0.000 2.563 615 H HA 0.254 4.810 4.556 -0.000 0.000 0.264 615 H C 1.282 176.095 175.328 -0.858 0.000 0.957 615 H CA 0.679 56.370 56.048 -0.596 0.000 1.173 615 H CB 0.221 29.762 29.762 -0.369 0.000 1.420 615 H HN 0.668 nan 8.280 nan 0.000 0.551 616 G N 0.358 108.094 108.800 -1.773 0.000 2.553 616 G HA2 0.279 4.239 3.960 -0.000 0.000 0.278 616 G HA3 0.279 4.239 3.960 -0.000 0.000 0.278 616 G C -0.211 174.184 174.900 -0.843 0.000 1.349 616 G CA -0.456 43.800 45.100 -1.407 0.000 1.037 616 G HN 0.204 nan 8.290 nan 0.000 0.508 617 Q N -1.270 118.269 119.800 -0.436 0.000 2.348 617 Q HA 0.579 4.919 4.340 -0.000 0.000 0.271 617 Q C -1.024 175.001 176.000 0.041 0.000 1.067 617 Q CA -0.525 55.163 55.803 -0.191 0.000 0.839 617 Q CB 2.607 31.137 28.738 -0.348 0.000 1.354 617 Q HN 0.282 nan 8.270 nan 0.000 0.447 618 L N 2.300 123.592 121.223 0.116 0.000 2.325 618 L HA 0.553 4.893 4.340 -0.000 0.000 0.281 618 L C -0.564 176.351 176.870 0.075 0.000 1.004 618 L CA -0.745 54.173 54.840 0.130 0.000 0.823 618 L CB 0.985 43.187 42.059 0.238 0.000 1.236 618 L HN 0.351 nan 8.230 nan 0.000 0.415 619 K N 2.113 122.542 120.400 0.048 0.000 2.395 619 K HA 0.828 5.148 4.320 -0.000 0.000 0.247 619 K C 0.215 176.842 176.600 0.044 0.000 0.973 619 K CA -0.329 55.974 56.287 0.025 0.000 0.828 619 K CB 2.213 34.712 32.500 -0.003 0.000 1.272 619 K HN 0.658 nan 8.250 nan 0.000 0.439 620 G N 1.719 110.540 108.800 0.034 0.000 2.598 620 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 620 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 620 G C -0.162 174.769 174.900 0.051 0.000 1.302 620 G CA -0.063 45.059 45.100 0.037 0.000 0.903 620 G HN 0.620 nan 8.290 nan 0.000 0.575 621 N N 1.059 119.786 118.700 0.046 0.000 3.027 621 N HA 0.301 5.041 4.740 -0.000 0.000 0.309 621 N C 0.020 175.563 175.510 0.054 0.000 1.222 621 N CA 0.338 53.416 53.050 0.047 0.000 1.187 621 N CB -1.085 37.424 38.487 0.036 0.000 1.458 621 N HN 0.528 nan 8.380 nan 0.000 0.535 622 L N 0.754 122.018 121.223 0.069 0.000 2.342 622 L HA 0.497 4.837 4.340 -0.000 0.000 0.271 622 L C 0.082 176.991 176.870 0.065 0.000 1.008 622 L CA -1.103 53.776 54.840 0.065 0.000 0.818 622 L CB 1.610 43.714 42.059 0.074 0.000 1.296 622 L HN 0.116 nan 8.230 nan 0.000 0.427 623 N N 0.809 119.525 118.700 0.027 0.000 2.472 623 N HA 0.606 5.346 4.740 -0.000 0.000 0.289 623 N C -1.038 174.428 175.510 -0.073 0.000 1.156 623 N CA -0.414 52.631 53.050 -0.009 0.000 0.940 623 N CB 2.647 41.117 38.487 -0.028 0.000 1.200 623 N HN 0.153 nan 8.380 nan 0.000 0.511 624 V N 1.109 120.900 119.914 -0.204 0.000 2.638 624 V HA 0.326 4.446 4.120 -0.000 0.000 0.306 624 V C -1.009 174.762 176.094 -0.539 0.000 1.052 624 V CA -0.818 61.240 62.300 -0.404 0.000 0.885 624 V CB 2.091 33.553 31.823 -0.601 0.000 0.999 624 V HN 0.525 nan 8.190 nan 0.000 0.424 625 D N 3.176 123.352 120.400 -0.373 0.000 2.362 625 D HA 0.405 5.045 4.640 -0.000 0.000 0.247 625 D C -0.501 175.645 176.300 -0.255 0.000 1.050 625 D CA -0.329 53.493 54.000 -0.296 0.000 0.839 625 D CB 1.997 42.696 40.800 -0.168 0.000 1.283 625 D HN 0.515 nan 8.370 nan 0.000 0.477 626 N N 1.355 119.939 118.700 -0.193 0.000 2.752 626 N HA 0.110 4.850 4.740 -0.000 0.000 0.260 626 N C -1.172 174.298 175.510 -0.067 0.000 1.562 626 N CA -0.438 52.557 53.050 -0.093 0.000 0.788 626 N CB 0.401 38.906 38.487 0.030 0.000 1.192 626 N HN 0.091 nan 8.380 nan 0.000 0.503 627 R N 2.235 122.680 120.500 -0.092 0.000 2.325 627 R HA 0.279 4.619 4.340 -0.000 0.000 0.323 627 R C 0.042 176.287 176.300 -0.091 0.000 1.177 627 R CA -0.283 55.774 56.100 -0.072 0.000 1.018 627 R CB 0.529 30.789 30.300 -0.067 0.000 1.070 627 R HN 0.356 nan 8.270 nan 0.000 0.495 628 L N 4.402 125.579 121.223 -0.076 0.000 2.472 628 L HA 0.282 4.622 4.340 -0.000 0.000 0.260 628 L C -1.689 175.142 176.870 -0.065 0.000 1.209 628 L CA -1.986 52.794 54.840 -0.101 0.000 0.817 628 L CB 0.245 42.266 42.059 -0.063 0.000 1.106 628 L HN 0.288 nan 8.230 nan 0.000 0.479 629 P HA 0.060 nan 4.420 nan 0.000 0.279 629 P C -0.809 176.481 177.300 -0.016 0.000 1.239 629 P CA -0.536 62.542 63.100 -0.036 0.000 0.789 629 P CB 0.626 32.306 31.700 -0.034 0.000 0.933 630 E N 2.020 122.215 120.200 -0.010 0.000 2.608 630 E HA 0.033 4.383 4.350 -0.000 0.000 0.259 630 E C 0.786 177.390 176.600 0.007 0.000 0.951 630 E CA 1.021 57.421 56.400 0.001 0.000 0.945 630 E CB -0.645 29.055 29.700 -0.000 0.000 0.916 630 E HN 0.835 nan 8.360 nan 0.000 0.477 631 G N 2.626 111.435 108.800 0.015 0.000 2.159 631 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.227 631 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.227 631 G C -0.013 174.904 174.900 0.029 0.000 0.986 631 G CA 0.026 45.138 45.100 0.020 0.000 0.651 631 G HN 0.528 nan 8.290 nan 0.000 0.523 632 V N 1.310 121.243 119.914 0.033 0.000 2.567 632 V HA 0.603 4.723 4.120 -0.000 0.000 0.289 632 V C 1.643 177.776 176.094 0.064 0.000 1.049 632 V CA 0.668 62.997 62.300 0.048 0.000 0.969 632 V CB 1.526 33.376 31.823 0.046 0.000 0.995 632 V HN 0.681 nan 8.190 nan 0.000 0.471 633 T N 0.089 114.689 114.554 0.076 0.000 3.040 633 T HA 0.210 4.560 4.350 -0.000 0.000 0.250 633 T C 0.867 175.635 174.700 0.113 0.000 1.058 633 T CA 0.395 62.546 62.100 0.085 0.000 0.988 633 T CB 0.078 68.991 68.868 0.075 0.000 0.993 633 T HN 0.797 nan 8.240 nan 0.000 0.519 634 G N 0.946 109.827 108.800 0.135 0.000 2.569 634 G HA2 0.545 4.505 3.960 -0.000 0.000 0.249 634 G HA3 0.545 4.505 3.960 -0.000 0.000 0.249 634 G C -0.246 174.756 174.900 0.171 0.000 1.216 634 G CA -0.350 44.851 45.100 0.167 0.000 0.845 634 G HN 0.665 nan 8.290 nan 0.000 0.568 635 A N 0.970 123.868 122.820 0.131 0.000 2.292 635 A HA 0.555 4.875 4.320 -0.000 0.000 0.319 635 A C -0.273 177.307 177.584 -0.006 0.000 1.206 635 A CA -0.629 51.444 52.037 0.059 0.000 0.835 635 A CB 1.250 20.249 19.000 -0.002 0.000 1.164 635 A HN 0.948 nan 8.150 nan 0.000 0.505 636 L N 4.354 125.626 121.223 0.082 0.000 2.385 636 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 636 L C -0.537 176.281 176.870 -0.087 0.000 1.106 636 L CA 0.443 55.295 54.840 0.020 0.000 0.856 636 L CB 0.345 42.532 42.059 0.213 0.000 1.186 636 L HN 0.383 nan 8.230 nan 0.000 0.453 637 V N 7.013 126.782 119.914 -0.242 0.000 2.427 637 V HA 0.485 4.605 4.120 -0.000 0.000 0.286 637 V C 0.218 176.233 176.094 -0.132 0.000 1.034 637 V CA -0.429 61.702 62.300 -0.283 0.000 0.893 637 V CB 1.483 32.965 31.823 -0.569 0.000 0.982 637 V HN 0.777 nan 8.190 nan 0.000 0.452 638 M N 4.577 124.162 119.600 -0.026 0.000 2.142 638 M HA 0.397 4.877 4.480 -0.000 0.000 0.299 638 M C -0.787 175.645 176.300 0.219 0.000 0.960 638 M CA -0.466 54.901 55.300 0.111 0.000 0.920 638 M CB 1.900 34.633 32.600 0.222 0.000 1.541 638 M HN 0.818 nan 8.290 nan 0.000 0.429 639 D N 0.979 121.502 120.400 0.204 0.000 2.563 639 D HA 0.240 4.880 4.640 -0.000 0.000 0.237 639 D C 0.674 177.078 176.300 0.174 0.000 1.282 639 D CA -0.202 53.965 54.000 0.278 0.000 0.816 639 D CB 0.252 41.228 40.800 0.293 0.000 1.066 639 D HN 0.564 nan 8.370 nan 0.000 0.501 640 G N 0.233 109.114 108.800 0.136 0.000 3.223 640 G HA2 0.678 4.638 3.960 -0.000 0.000 0.198 640 G HA3 0.678 4.638 3.960 -0.000 0.000 0.198 640 G C -0.188 174.709 174.900 -0.005 0.000 1.980 640 G CA 0.183 45.337 45.100 0.091 0.000 0.828 640 G HN 0.572 nan 8.290 nan 0.000 0.680 641 A N -2.547 120.216 122.820 -0.095 0.000 2.564 641 A HA 0.874 5.194 4.320 -0.000 0.000 0.291 641 A C -1.218 176.218 177.584 -0.246 0.000 1.102 641 A CA 0.267 51.965 52.037 -0.565 0.000 0.660 641 A CB 0.802 19.629 19.000 -0.289 0.000 1.283 641 A HN 2.162 nan 8.150 nan 0.000 0.430 642 A N -0.095 122.550 122.820 -0.292 0.000 2.594 642 A HA 0.778 5.098 4.320 -0.000 0.000 0.295 642 A C -1.956 175.536 177.584 -0.153 0.000 1.071 642 A CA 0.004 52.018 52.037 -0.039 0.000 0.685 642 A CB 1.819 20.954 19.000 0.227 0.000 1.285 642 A HN 1.079 nan 8.150 nan 0.000 0.405 643 D N 1.369 121.725 120.400 -0.074 0.000 2.752 643 D HA 0.317 4.957 4.640 -0.000 0.000 0.242 643 D C -0.866 175.429 176.300 -0.008 0.000 1.295 643 D CA 0.008 53.954 54.000 -0.090 0.000 0.846 643 D CB 0.208 40.953 40.800 -0.092 0.000 1.454 643 D HN 0.769 nan 8.370 nan 0.000 0.535 644 I N -1.493 119.106 120.570 0.047 0.000 2.750 644 I HA 0.563 4.733 4.170 -0.000 0.000 0.308 644 I C 0.776 176.958 176.117 0.108 0.000 1.016 644 I CA -0.634 60.736 61.300 0.116 0.000 1.098 644 I CB 2.088 40.225 38.000 0.228 0.000 1.279 644 I HN -0.162 nan 8.210 nan 0.000 0.454 645 S N 2.326 118.081 115.700 0.091 0.000 2.436 645 S HA 0.178 4.648 4.470 -0.000 0.000 0.228 645 S C 0.839 175.495 174.600 0.093 0.000 1.014 645 S CA 0.794 59.038 58.200 0.073 0.000 0.950 645 S CB -0.125 63.107 63.200 0.052 0.000 0.784 645 S HN 0.943 nan 8.310 nan 0.000 0.504 646 G N 0.342 109.214 108.800 0.119 0.000 3.039 646 G HA2 0.499 4.459 3.960 -0.000 0.000 0.159 646 G HA3 0.499 4.459 3.960 -0.000 0.000 0.159 646 G C -0.859 174.123 174.900 0.137 0.000 1.284 646 G CA -0.346 44.815 45.100 0.102 0.000 0.996 646 G HN 0.184 nan 8.290 nan 0.000 0.592 647 T N 0.399 115.002 114.554 0.081 0.000 2.829 647 T HA 0.463 4.813 4.350 -0.000 0.000 0.282 647 T C -1.310 173.401 174.700 0.018 0.000 0.990 647 T CA -0.042 62.092 62.100 0.056 0.000 1.028 647 T CB 1.283 70.157 68.868 0.011 0.000 0.951 647 T HN 0.252 nan 8.240 nan 0.000 0.460 648 F N 2.298 122.120 119.950 -0.213 0.000 2.420 648 F HA 0.522 5.049 4.527 -0.000 0.000 0.342 648 F C 0.168 175.806 175.800 -0.271 0.000 1.113 648 F CA -0.212 57.592 58.000 -0.326 0.000 1.059 648 F CB 1.144 39.636 39.000 -0.846 0.000 1.128 648 F HN 0.395 nan 8.300 nan 0.000 0.475 649 T N 5.314 119.780 114.554 -0.147 0.000 2.921 649 T HA 0.300 4.650 4.350 -0.000 0.000 0.297 649 T C -1.418 173.283 174.700 0.002 0.000 1.013 649 T CA -0.625 61.454 62.100 -0.036 0.000 0.990 649 T CB 1.630 70.442 68.868 -0.093 0.000 1.023 649 T HN 0.677 nan 8.240 nan 0.000 0.447 650 Q N 2.111 121.958 119.800 0.079 0.000 2.347 650 Q HA 0.523 4.863 4.340 -0.000 0.000 0.271 650 Q C -1.431 174.594 176.000 0.041 0.000 1.064 650 Q CA -0.676 55.177 55.803 0.084 0.000 0.800 650 Q CB 1.716 30.571 28.738 0.195 0.000 1.304 650 Q HN 0.579 nan 8.270 nan 0.000 0.438 651 E N 3.290 123.504 120.200 0.022 0.000 2.187 651 E HA 0.403 4.753 4.350 -0.000 0.000 0.268 651 E C -0.843 175.770 176.600 0.023 0.000 0.896 651 E CA -0.842 55.566 56.400 0.014 0.000 0.766 651 E CB 1.199 30.895 29.700 -0.007 0.000 1.142 651 E HN 0.726 nan 8.360 nan 0.000 0.408 652 N N 0.985 119.704 118.700 0.032 0.000 6.535 652 N HA -0.226 4.514 4.740 -0.000 0.000 0.409 652 N C 0.413 175.961 175.510 0.063 0.000 0.975 652 N CA 1.173 54.246 53.050 0.039 0.000 1.813 652 N CB -0.874 37.626 38.487 0.021 0.000 0.751 652 N HN 0.934 nan 8.380 nan 0.000 0.467 653 G N -0.065 108.776 108.800 0.068 0.000 2.641 653 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 653 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 653 G C -0.433 174.533 174.900 0.109 0.000 1.315 653 G CA 0.766 45.923 45.100 0.095 0.000 0.907 653 G HN 0.864 nan 8.290 nan 0.000 0.572 654 R N -1.328 119.248 120.500 0.126 0.000 2.782 654 R HA 0.803 5.143 4.340 -0.000 0.000 0.258 654 R C -0.716 175.665 176.300 0.135 0.000 1.055 654 R CA -0.830 55.344 56.100 0.124 0.000 1.065 654 R CB 1.612 31.984 30.300 0.120 0.000 1.172 654 R HN 0.817 nan 8.270 nan 0.000 0.510 655 L N -0.445 120.850 121.223 0.120 0.000 2.526 655 L HA 0.447 4.787 4.340 -0.000 0.000 0.263 655 L C -1.610 175.238 176.870 -0.038 0.000 0.943 655 L CA 0.119 55.029 54.840 0.117 0.000 0.859 655 L CB 2.667 44.886 42.059 0.266 0.000 1.313 655 L HN 0.563 nan 8.230 nan 0.000 0.406 656 T N 5.934 120.431 114.554 -0.095 0.000 3.031 656 T HA 0.602 4.952 4.350 -0.000 0.000 0.305 656 T C -0.875 173.716 174.700 -0.181 0.000 0.985 656 T CA -0.325 61.668 62.100 -0.179 0.000 1.008 656 T CB 0.991 69.866 68.868 0.011 0.000 1.005 656 T HN 0.502 nan 8.240 nan 0.000 0.444 657 L N 4.471 125.518 121.223 -0.293 0.000 2.296 657 L HA 0.708 5.048 4.340 -0.000 0.000 0.286 657 L C 0.121 176.902 176.870 -0.149 0.000 1.023 657 L CA -0.820 53.760 54.840 -0.434 0.000 0.812 657 L CB 1.297 42.847 42.059 -0.847 0.000 1.223 657 L HN 0.696 nan 8.230 nan 0.000 0.421 658 Q N 1.777 121.637 119.800 0.101 0.000 2.648 658 Q HA 0.701 5.041 4.340 -0.000 0.000 0.300 658 Q C -0.418 175.816 176.000 0.390 0.000 0.954 658 Q CA -1.070 54.883 55.803 0.249 0.000 0.757 658 Q CB 1.549 30.440 28.738 0.255 0.000 1.482 658 Q HN 0.516 nan 8.270 nan 0.000 0.437 659 G N -0.469 108.542 108.800 0.352 0.000 2.563 659 G HA2 0.288 4.248 3.960 -0.000 0.000 0.283 659 G HA3 0.288 4.248 3.960 -0.000 0.000 0.283 659 G C -1.137 174.027 174.900 0.439 0.000 1.309 659 G CA -0.221 45.090 45.100 0.352 0.000 1.022 659 G HN 0.603 nan 8.290 nan 0.000 0.501 660 H N 0.419 119.603 119.070 0.190 0.000 2.658 660 H HA 0.389 4.945 4.556 -0.000 0.000 0.337 660 H C -2.554 172.619 175.328 -0.258 0.000 1.009 660 H CA -1.723 54.303 56.048 -0.036 0.000 1.231 660 H CB 2.772 32.444 29.762 -0.150 0.000 1.508 660 H HN 0.215 nan 8.280 nan 0.000 0.517 661 P HA -0.016 nan 4.420 nan 0.000 0.275 661 P C -0.026 176.718 177.300 -0.927 0.000 1.227 661 P CA -0.323 61.912 63.100 -1.441 0.000 0.781 661 P CB 1.508 32.140 31.700 -1.780 0.000 0.906 662 V N 5.291 124.894 119.914 -0.518 0.000 2.540 662 V HA -0.062 4.058 4.120 -0.000 0.000 0.297 662 V C 1.229 177.171 176.094 -0.253 0.000 1.024 662 V CA 0.323 62.452 62.300 -0.286 0.000 1.105 662 V CB -0.489 31.216 31.823 -0.197 0.000 0.938 662 V HN 0.389 nan 8.190 nan 0.000 0.482 663 I N 6.290 126.749 120.570 -0.185 0.000 2.556 663 I HA 0.197 4.367 4.170 -0.000 0.000 0.284 663 I C 0.619 176.665 176.117 -0.118 0.000 1.114 663 I CA 0.367 61.607 61.300 -0.099 0.000 1.418 663 I CB 0.053 38.043 38.000 -0.017 0.000 1.394 663 I HN 0.628 nan 8.210 nan 0.000 0.552 664 H N 4.250 123.311 119.070 -0.015 0.000 2.710 664 H HA 0.590 5.146 4.556 -0.000 0.000 0.361 664 H C -0.251 175.150 175.328 0.121 0.000 1.175 664 H CA -1.046 55.028 56.048 0.044 0.000 1.206 664 H CB 1.852 31.629 29.762 0.026 0.000 1.750 664 H HN 0.632 nan 8.280 nan 0.000 0.553 665 A N 1.303 124.271 122.820 0.247 0.000 2.386 665 A HA 0.415 4.735 4.320 -0.000 0.000 0.248 665 A C -0.941 176.766 177.584 0.204 0.000 1.082 665 A CA 0.035 52.169 52.037 0.163 0.000 0.789 665 A CB -0.250 18.800 19.000 0.083 0.000 1.025 665 A HN 0.643 nan 8.150 nan 0.000 0.490 666 Y N -0.819 119.486 120.300 0.008 0.000 2.705 666 Y HA 0.753 5.303 4.550 -0.000 0.000 0.332 666 Y C -0.695 175.158 175.900 -0.077 0.000 1.221 666 Y CA -1.387 56.694 58.100 -0.031 0.000 1.059 666 Y CB 0.759 39.209 38.460 -0.016 0.000 1.298 666 Y HN 0.656 nan 8.280 nan 0.000 0.459 667 N N -1.166 117.553 118.700 0.031 0.000 3.229 667 N HA 0.549 5.289 4.740 -0.000 0.000 0.315 667 N C -1.247 174.302 175.510 0.065 0.000 1.520 667 N CA -0.609 52.374 53.050 -0.110 0.000 0.769 667 N CB 1.549 39.850 38.487 -0.311 0.000 1.766 667 N HN 0.899 nan 8.380 nan 0.000 0.618 668 T N -1.617 112.938 114.554 0.002 0.000 2.813 668 T HA 0.052 4.402 4.350 -0.000 0.000 0.297 668 T C 1.065 175.783 174.700 0.031 0.000 1.036 668 T CA -0.044 62.089 62.100 0.055 0.000 1.044 668 T CB 0.954 69.857 68.868 0.058 0.000 0.993 668 T HN 0.415 nan 8.240 nan 0.000 0.535 669 Q N 0.958 120.783 119.800 0.042 0.000 2.112 669 Q HA -0.096 4.244 4.340 -0.000 0.000 0.206 669 Q C 2.486 178.494 176.000 0.014 0.000 0.987 669 Q CA 2.260 58.079 55.803 0.027 0.000 0.858 669 Q CB -0.956 27.801 28.738 0.031 0.000 0.905 669 Q HN 0.821 nan 8.270 nan 0.000 0.420 670 S N -0.973 114.739 115.700 0.019 0.000 2.359 670 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 670 S C 1.882 176.478 174.600 -0.006 0.000 1.039 670 S CA 1.475 59.684 58.200 0.016 0.000 1.042 670 S CB -0.479 62.741 63.200 0.033 0.000 0.915 670 S HN 0.297 nan 8.310 nan 0.000 0.439 671 V N 1.935 121.832 119.914 -0.029 0.000 2.427 671 V HA -0.151 3.968 4.120 -0.000 0.000 0.248 671 V C 2.593 178.616 176.094 -0.117 0.000 1.051 671 V CA 1.476 63.717 62.300 -0.100 0.000 1.048 671 V CB -1.269 30.397 31.823 -0.262 0.000 0.666 671 V HN 0.534 nan 8.190 nan 0.000 0.456 672 A N 0.098 122.873 122.820 -0.075 0.000 1.908 672 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 672 A C 2.001 179.560 177.584 -0.040 0.000 1.181 672 A CA 2.160 54.170 52.037 -0.045 0.000 0.627 672 A CB -0.532 18.465 19.000 -0.006 0.000 0.818 672 A HN 0.539 nan 8.150 nan 0.000 0.445 673 D N -0.427 119.957 120.400 -0.026 0.000 2.120 673 D HA -0.059 4.581 4.640 -0.000 0.000 0.202 673 D C 1.924 178.202 176.300 -0.037 0.000 0.972 673 D CA 1.173 55.164 54.000 -0.016 0.000 0.837 673 D CB -0.329 40.473 40.800 0.003 0.000 0.989 673 D HN 0.444 nan 8.370 nan 0.000 0.469 674 K N 0.258 120.634 120.400 -0.040 0.000 2.113 674 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 674 K C 1.887 178.434 176.600 -0.088 0.000 1.047 674 K CA 0.568 56.826 56.287 -0.049 0.000 0.928 674 K CB 0.072 32.552 32.500 -0.033 0.000 0.716 674 K HN 0.100 nan 8.250 nan 0.000 0.446 675 L N 0.097 121.244 121.223 -0.126 0.000 2.179 675 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 675 L C 2.387 179.149 176.870 -0.180 0.000 1.096 675 L CA 1.177 55.920 54.840 -0.162 0.000 0.779 675 L CB -1.197 40.752 42.059 -0.183 0.000 0.922 675 L HN 0.128 nan 8.230 nan 0.000 0.443 676 A N 0.269 122.972 122.820 -0.194 0.000 1.858 676 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 676 A C 2.487 179.956 177.584 -0.191 0.000 1.190 676 A CA 1.711 53.555 52.037 -0.321 0.000 0.617 676 A CB -0.679 18.239 19.000 -0.137 0.000 0.827 676 A HN 0.365 nan 8.150 nan 0.000 0.443 677 A N 0.049 122.817 122.820 -0.087 0.000 2.093 677 A HA -0.125 4.195 4.320 -0.000 0.000 0.222 677 A C 2.129 179.687 177.584 -0.043 0.000 1.162 677 A CA 2.320 54.333 52.037 -0.041 0.000 0.655 677 A CB -0.746 18.240 19.000 -0.024 0.000 0.805 677 A HN 1.203 nan 8.150 nan 0.000 0.461 678 S N -3.196 112.460 115.700 -0.073 0.000 2.602 678 S HA 0.462 4.932 4.470 -0.000 0.000 0.240 678 S C 1.114 175.686 174.600 -0.046 0.000 0.992 678 S CA 0.875 59.048 58.200 -0.046 0.000 0.971 678 S CB 0.045 63.221 63.200 -0.040 0.000 0.855 678 S HN 1.927 nan 8.310 nan 0.000 0.481 679 G N 0.967 109.709 108.800 -0.097 0.000 2.176 679 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.232 679 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.232 679 G C -0.404 174.439 174.900 -0.095 0.000 0.986 679 G CA 0.041 45.110 45.100 -0.052 0.000 0.643 679 G HN 0.589 nan 8.290 nan 0.000 0.522 680 D N 0.194 120.469 120.400 -0.209 0.000 2.392 680 D HA 0.470 5.110 4.640 -0.000 0.000 0.228 680 D C 0.641 176.788 176.300 -0.255 0.000 1.074 680 D CA -0.516 53.416 54.000 -0.113 0.000 0.838 680 D CB 0.225 41.022 40.800 -0.006 0.000 1.067 680 D HN 0.389 nan 8.370 nan 0.000 0.511 681 H N 1.639 120.740 119.070 0.052 0.000 2.505 681 H HA 0.066 4.621 4.556 -0.000 0.000 0.286 681 H C 1.505 176.857 175.328 0.039 0.000 1.072 681 H CA 0.102 56.173 56.048 0.037 0.000 1.141 681 H CB 0.538 30.317 29.762 0.027 0.000 1.550 681 H HN 0.340 nan 8.280 nan 0.000 0.547 682 S N -0.019 115.753 115.700 0.121 0.000 2.489 682 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 682 S C 1.030 175.676 174.600 0.077 0.000 0.995 682 S CA -0.174 58.084 58.200 0.098 0.000 0.934 682 S CB -0.412 62.853 63.200 0.109 0.000 0.771 682 S HN -0.035 nan 8.310 nan 0.000 0.522 683 V N 3.147 123.108 119.914 0.078 0.000 2.555 683 V HA 0.281 4.400 4.120 -0.000 0.000 0.286 683 V C 0.085 176.203 176.094 0.040 0.000 1.044 683 V CA -0.561 61.774 62.300 0.059 0.000 1.026 683 V CB 0.562 32.410 31.823 0.041 0.000 0.981 683 V HN 0.306 nan 8.190 nan 0.000 0.480 684 L N 4.668 125.919 121.223 0.047 0.000 2.379 684 L HA 0.490 4.830 4.340 -0.000 0.000 0.269 684 L C 1.133 178.062 176.870 0.098 0.000 1.084 684 L CA 0.514 55.384 54.840 0.050 0.000 0.802 684 L CB 1.534 43.626 42.059 0.054 0.000 1.175 684 L HN 0.852 nan 8.230 nan 0.000 0.448 685 T N -1.989 112.590 114.554 0.043 0.000 3.145 685 T HA 0.341 4.691 4.350 -0.000 0.000 0.281 685 T C 0.197 174.790 174.700 -0.178 0.000 1.003 685 T CA -0.319 61.814 62.100 0.054 0.000 0.901 685 T CB 0.075 68.958 68.868 0.025 0.000 1.112 685 T HN 0.481 nan 8.240 nan 0.000 0.535 686 Q N 1.027 120.620 119.800 -0.345 0.000 2.320 686 Q HA 0.343 4.683 4.340 -0.000 0.000 0.272 686 Q C -2.519 173.167 176.000 -0.523 0.000 1.023 686 Q CA -2.008 53.460 55.803 -0.559 0.000 0.855 686 Q CB 2.681 31.255 28.738 -0.272 0.000 1.367 686 Q HN -0.099 nan 8.270 nan 0.000 0.406 687 P HA -0.031 nan 4.420 nan 0.000 0.225 687 P C 0.033 177.262 177.300 -0.119 0.000 1.156 687 P CA 0.896 63.917 63.100 -0.130 0.000 0.787 687 P CB 0.345 32.040 31.700 -0.007 0.000 0.802 688 T N -3.405 111.011 114.554 -0.231 0.000 2.864 688 T HA 0.646 4.996 4.350 -0.000 0.000 0.299 688 T C -0.749 173.736 174.700 -0.359 0.000 1.166 688 T CA -0.697 61.218 62.100 -0.310 0.000 1.007 688 T CB 2.128 70.745 68.868 -0.418 0.000 1.219 688 T HN 0.112 nan 8.240 nan 0.000 0.506 689 S N -0.031 115.422 115.700 -0.411 0.000 2.547 689 S HA 0.550 5.020 4.470 -0.000 0.000 0.270 689 S C -0.356 174.072 174.600 -0.287 0.000 1.150 689 S CA -0.952 57.026 58.200 -0.371 0.000 0.850 689 S CB 0.625 63.724 63.200 -0.169 0.000 1.118 689 S HN 0.490 nan 8.310 nan 0.000 0.461 690 F N 1.891 121.886 119.950 0.075 0.000 2.365 690 F HA 0.063 4.590 4.527 -0.000 0.000 0.300 690 F C 2.599 178.533 175.800 0.224 0.000 1.090 690 F CA 1.143 59.265 58.000 0.204 0.000 1.408 690 F CB -0.205 38.856 39.000 0.102 0.000 1.060 690 F HN 0.767 nan 8.300 nan 0.000 0.534 691 S N -0.845 115.017 115.700 0.269 0.000 2.524 691 S HA 0.047 4.517 4.470 -0.000 0.000 0.215 691 S C 0.731 175.434 174.600 0.172 0.000 0.986 691 S CA -0.685 57.630 58.200 0.191 0.000 0.911 691 S CB -0.763 62.506 63.200 0.115 0.000 0.805 691 S HN 0.489 nan 8.310 nan 0.000 0.501 692 Q N 1.210 121.110 119.800 0.167 0.000 2.432 692 Q HA 0.268 4.608 4.340 -0.000 0.000 0.264 692 Q C 0.118 176.276 176.000 0.263 0.000 1.035 692 Q CA -0.069 55.805 55.803 0.119 0.000 0.908 692 Q CB 0.513 29.239 28.738 -0.020 0.000 1.280 692 Q HN 0.257 nan 8.270 nan 0.000 0.455 693 E N 0.519 120.824 120.200 0.176 0.000 2.318 693 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 693 E C -0.574 176.197 176.600 0.284 0.000 0.998 693 E CA 0.540 57.058 56.400 0.197 0.000 0.859 693 E CB 0.385 30.143 29.700 0.096 0.000 0.812 693 E HN 0.689 nan 8.360 nan 0.000 0.492 694 D N -0.042 120.508 120.400 0.249 0.000 2.347 694 D HA 0.076 4.716 4.640 -0.000 0.000 0.235 694 D C -0.835 175.585 176.300 0.199 0.000 1.149 694 D CA -0.367 53.755 54.000 0.202 0.000 0.850 694 D CB 0.146 41.015 40.800 0.116 0.000 1.061 694 D HN -0.072 nan 8.370 nan 0.000 0.487 695 W N 0.875 122.156 121.300 -0.033 0.000 2.799 695 W HA 0.361 5.021 4.660 -0.000 0.000 0.349 695 W C 0.164 176.652 176.519 -0.052 0.000 1.100 695 W CA -0.979 56.335 57.345 -0.052 0.000 1.174 695 W CB 1.137 30.575 29.460 -0.038 0.000 1.427 695 W HN 0.172 nan 8.180 nan 0.000 0.547 696 E N 2.008 122.294 120.200 0.143 0.000 2.197 696 E HA 0.202 4.551 4.350 -0.000 0.000 0.281 696 E C -0.392 176.245 176.600 0.063 0.000 0.995 696 E CA -0.752 55.675 56.400 0.045 0.000 0.808 696 E CB 0.711 30.377 29.700 -0.056 0.000 1.093 696 E HN 0.162 nan 8.360 nan 0.000 0.394 697 N N 3.306 122.017 118.700 0.019 0.000 2.497 697 N HA 0.127 4.867 4.740 -0.000 0.000 0.268 697 N C -0.380 175.098 175.510 -0.054 0.000 1.171 697 N CA 0.085 53.141 53.050 0.010 0.000 0.948 697 N CB 0.578 39.062 38.487 -0.004 0.000 1.069 697 N HN 0.211 nan 8.380 nan 0.000 0.460 698 R N 0.179 120.657 120.500 -0.036 0.000 2.740 698 R HA 0.467 4.807 4.340 -0.000 0.000 0.282 698 R C -0.354 175.822 176.300 -0.206 0.000 0.969 698 R CA -0.712 55.291 56.100 -0.162 0.000 0.918 698 R CB 1.583 31.812 30.300 -0.118 0.000 1.175 698 R HN 0.591 nan 8.270 nan 0.000 0.464 699 S N 2.063 117.523 115.700 -0.399 0.000 2.532 699 S HA 0.708 5.178 4.470 -0.000 0.000 0.299 699 S C -1.374 172.901 174.600 -0.542 0.000 1.105 699 S CA -0.575 57.438 58.200 -0.312 0.000 1.018 699 S CB 0.559 63.659 63.200 -0.167 0.000 1.021 699 S HN 0.356 nan 8.310 nan 0.000 0.483 700 F N 2.519 122.378 119.950 -0.151 0.000 2.500 700 F HA 0.439 4.966 4.527 -0.000 0.000 0.349 700 F C 0.304 175.729 175.800 -0.624 0.000 1.127 700 F CA -0.411 57.385 58.000 -0.339 0.000 0.998 700 F CB 2.311 41.199 39.000 -0.187 0.000 1.237 700 F HN 0.469 nan 8.300 nan 0.000 0.439 701 T N 4.357 118.543 114.554 -0.612 0.000 2.812 701 T HA 0.727 5.077 4.350 -0.000 0.000 0.282 701 T C -0.898 173.420 174.700 -0.635 0.000 0.990 701 T CA -0.553 61.240 62.100 -0.512 0.000 0.960 701 T CB 0.842 69.565 68.868 -0.242 0.000 0.948 701 T HN 0.197 nan 8.240 nan 0.000 0.438 702 F N 0.280 120.275 119.950 0.074 0.000 2.629 702 F HA 0.437 4.964 4.527 -0.000 0.000 0.316 702 F C 1.256 177.084 175.800 0.047 0.000 1.081 702 F CA -1.370 56.681 58.000 0.085 0.000 0.954 702 F CB 0.970 40.044 39.000 0.124 0.000 1.337 702 F HN 0.437 nan 8.300 nan 0.000 0.474 703 D N 0.323 120.871 120.400 0.247 0.000 2.178 703 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 703 D C 0.279 176.663 176.300 0.140 0.000 0.980 703 D CA 1.616 55.701 54.000 0.142 0.000 0.842 703 D CB 0.347 41.212 40.800 0.109 0.000 0.948 703 D HN 0.487 nan 8.370 nan 0.000 0.472 704 R N -1.204 119.405 120.500 0.182 0.000 2.633 704 R HA 0.390 4.730 4.340 -0.000 0.000 0.255 704 R C -2.318 174.009 176.300 0.045 0.000 1.106 704 R CA -0.759 55.404 56.100 0.104 0.000 0.959 704 R CB 0.714 31.050 30.300 0.060 0.000 1.259 704 R HN 0.042 nan 8.270 nan 0.000 0.453 705 L N 3.096 124.302 121.223 -0.028 0.000 2.342 705 L HA 0.576 4.916 4.340 -0.000 0.000 0.276 705 L C -1.230 175.555 176.870 -0.141 0.000 0.997 705 L CA 0.092 54.812 54.840 -0.200 0.000 0.838 705 L CB 1.857 43.723 42.059 -0.322 0.000 1.224 705 L HN 0.574 nan 8.230 nan 0.000 0.416 706 S N 6.395 122.038 115.700 -0.095 0.000 2.438 706 S HA 0.758 5.228 4.470 -0.000 0.000 0.316 706 S C -0.762 173.806 174.600 -0.053 0.000 1.084 706 S CA -0.589 57.575 58.200 -0.061 0.000 1.107 706 S CB 0.208 63.388 63.200 -0.034 0.000 0.981 706 S HN 0.587 nan 8.310 nan 0.000 0.466 707 L N 4.303 125.490 121.223 -0.060 0.000 2.334 707 L HA 0.689 5.029 4.340 -0.000 0.000 0.276 707 L C -0.017 176.849 176.870 -0.007 0.000 1.014 707 L CA -0.653 54.170 54.840 -0.029 0.000 0.815 707 L CB 1.686 43.721 42.059 -0.040 0.000 1.268 707 L HN 0.576 nan 8.230 nan 0.000 0.428 708 K N 2.718 123.123 120.400 0.009 0.000 2.581 708 K HA 0.274 4.594 4.320 -0.000 0.000 0.249 708 K C -0.795 175.816 176.600 0.019 0.000 0.966 708 K CA -0.508 55.784 56.287 0.008 0.000 0.811 708 K CB 1.001 33.501 32.500 0.001 0.000 1.223 708 K HN 0.755 nan 8.250 nan 0.000 0.438 709 N N 1.237 119.949 118.700 0.021 0.000 2.725 709 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 709 N C -1.050 174.485 175.510 0.042 0.000 1.103 709 N CA 1.300 54.366 53.050 0.027 0.000 0.707 709 N CB -1.062 37.437 38.487 0.020 0.000 1.043 709 N HN 0.572 nan 8.380 nan 0.000 0.553 710 T N 0.675 115.261 114.554 0.055 0.000 2.859 710 T HA 0.194 4.544 4.350 -0.000 0.000 0.281 710 T C -0.095 174.664 174.700 0.098 0.000 1.005 710 T CA -0.486 61.665 62.100 0.085 0.000 1.025 710 T CB 2.186 71.117 68.868 0.105 0.000 0.977 710 T HN 0.041 nan 8.240 nan 0.000 0.458 711 D N 2.543 123.005 120.400 0.103 0.000 2.479 711 D HA 0.195 4.835 4.640 -0.000 0.000 0.218 711 D C -0.960 175.416 176.300 0.127 0.000 1.131 711 D CA -0.653 53.406 54.000 0.097 0.000 0.916 711 D CB -0.286 40.554 40.800 0.067 0.000 1.022 711 D HN 0.273 nan 8.370 nan 0.000 0.515 712 F N 2.795 122.752 119.950 0.012 0.000 2.404 712 F HA 0.673 5.200 4.527 -0.000 0.000 0.339 712 F C 0.147 175.948 175.800 0.001 0.000 1.105 712 F CA -0.377 57.623 58.000 0.001 0.000 1.087 712 F CB 1.536 40.526 39.000 -0.017 0.000 1.143 712 F HN 0.259 nan 8.300 nan 0.000 0.491 713 G N 5.992 114.053 108.800 -1.232 0.000 2.617 713 G HA2 0.539 4.499 3.960 -0.000 0.000 0.306 713 G HA3 0.539 4.499 3.960 -0.000 0.000 0.306 713 G C -2.475 171.826 174.900 -0.997 0.000 1.360 713 G CA -0.768 43.815 45.100 -0.861 0.000 0.983 713 G HN 0.734 nan 8.290 nan 0.000 0.496 714 L N 2.961 123.878 121.223 -0.509 0.000 2.295 714 L HA 0.715 5.055 4.340 -0.000 0.000 0.281 714 L C 0.767 177.590 176.870 -0.079 0.000 1.018 714 L CA -0.272 54.447 54.840 -0.202 0.000 0.841 714 L CB 0.835 42.932 42.059 0.063 0.000 1.218 714 L HN 0.632 nan 8.230 nan 0.000 0.424 715 G N 3.985 112.757 108.800 -0.048 0.000 2.557 715 G HA2 0.375 4.335 3.960 -0.000 0.000 0.292 715 G HA3 0.375 4.335 3.960 -0.000 0.000 0.292 715 G C -0.470 174.428 174.900 -0.005 0.000 1.237 715 G CA -0.928 44.162 45.100 -0.016 0.000 0.978 715 G HN 0.852 nan 8.290 nan 0.000 0.498 716 R N -1.138 119.312 120.500 -0.083 0.000 2.817 716 R HA 0.064 4.404 4.340 -0.000 0.000 0.264 716 R C 0.100 176.368 176.300 -0.053 0.000 1.009 716 R CA 0.632 56.645 56.100 -0.144 0.000 1.133 716 R CB -0.177 29.901 30.300 -0.369 0.000 1.013 716 R HN 0.596 nan 8.270 nan 0.000 0.453 717 N N -1.615 117.064 118.700 -0.035 0.000 2.741 717 N HA -0.239 4.501 4.740 -0.000 0.000 0.251 717 N C -1.358 174.224 175.510 0.120 0.000 1.112 717 N CA 1.282 54.360 53.050 0.046 0.000 0.750 717 N CB -0.748 37.803 38.487 0.105 0.000 1.119 717 N HN 0.819 nan 8.380 nan 0.000 0.561 718 A N -0.435 122.470 122.820 0.142 0.000 2.355 718 A HA 0.744 5.064 4.320 -0.000 0.000 0.317 718 A C 0.102 177.803 177.584 0.194 0.000 1.094 718 A CA -0.308 51.870 52.037 0.236 0.000 0.764 718 A CB 1.305 20.516 19.000 0.352 0.000 1.230 718 A HN 0.059 nan 8.150 nan 0.000 0.448 719 T N 2.206 116.869 114.554 0.181 0.000 2.824 719 T HA 0.522 4.872 4.350 -0.000 0.000 0.280 719 T C -0.852 173.955 174.700 0.179 0.000 0.995 719 T CA -0.163 62.013 62.100 0.126 0.000 1.009 719 T CB 1.015 69.902 68.868 0.032 0.000 0.955 719 T HN 0.619 nan 8.240 nan 0.000 0.452 720 L N 4.288 125.597 121.223 0.144 0.000 2.342 720 L HA 0.509 4.849 4.340 -0.000 0.000 0.276 720 L C -0.960 175.836 176.870 -0.122 0.000 0.997 720 L CA -0.488 54.435 54.840 0.138 0.000 0.838 720 L CB 0.902 43.170 42.059 0.348 0.000 1.224 720 L HN 0.473 nan 8.230 nan 0.000 0.416 721 N N 4.103 122.713 118.700 -0.149 0.000 2.501 721 N HA 0.518 5.258 4.740 -0.000 0.000 0.245 721 N C -0.627 174.802 175.510 -0.135 0.000 0.974 721 N CA -0.195 52.713 53.050 -0.237 0.000 0.941 721 N CB 1.793 40.169 38.487 -0.186 0.000 1.122 721 N HN 0.687 nan 8.380 nan 0.000 0.507 722 T N -0.179 114.284 114.554 -0.152 0.000 2.686 722 T HA 0.233 4.583 4.350 -0.000 0.000 0.308 722 T C -1.358 173.382 174.700 0.065 0.000 1.667 722 T CA -0.332 61.800 62.100 0.054 0.000 0.987 722 T CB 1.129 70.180 68.868 0.305 0.000 1.652 722 T HN 0.201 nan 8.240 nan 0.000 0.496 723 T N 2.518 117.141 114.554 0.116 0.000 2.744 723 T HA 0.579 4.929 4.350 -0.000 0.000 0.291 723 T C 0.079 174.859 174.700 0.133 0.000 0.957 723 T CA -0.318 61.860 62.100 0.129 0.000 1.002 723 T CB -0.098 68.818 68.868 0.081 0.000 0.919 723 T HN 0.375 nan 8.240 nan 0.000 0.468 724 I N 3.562 124.227 120.570 0.159 0.000 2.428 724 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 724 I C 0.577 176.704 176.117 0.017 0.000 1.019 724 I CA -0.421 60.908 61.300 0.048 0.000 1.351 724 I CB 0.846 38.848 38.000 0.003 0.000 1.412 724 I HN 0.427 nan 8.210 nan 0.000 0.513 725 Q N 5.951 125.741 119.800 -0.018 0.000 2.508 725 Q HA 0.562 4.902 4.340 -0.000 0.000 0.247 725 Q C -0.668 175.313 176.000 -0.031 0.000 1.047 725 Q CA -0.538 55.256 55.803 -0.015 0.000 0.783 725 Q CB 1.936 30.668 28.738 -0.009 0.000 1.172 725 Q HN 0.778 nan 8.270 nan 0.000 0.515 726 A N 2.387 125.192 122.820 -0.026 0.000 2.303 726 A HA 0.590 4.910 4.320 -0.000 0.000 0.317 726 A C -0.850 176.726 177.584 -0.012 0.000 1.149 726 A CA -0.342 51.680 52.037 -0.025 0.000 0.822 726 A CB 0.957 19.944 19.000 -0.022 0.000 1.131 726 A HN 0.663 nan 8.150 nan 0.000 0.493 727 D N 0.321 120.716 120.400 -0.007 0.000 2.764 727 D HA 0.325 4.965 4.640 -0.000 0.000 0.227 727 D C -0.221 176.081 176.300 0.002 0.000 1.347 727 D CA -0.123 53.874 54.000 -0.004 0.000 0.953 727 D CB 0.600 41.397 40.800 -0.005 0.000 1.476 727 D HN 0.569 nan 8.370 nan 0.000 0.585 728 N N 1.786 120.487 118.700 0.003 0.000 2.701 728 N HA -0.227 4.512 4.740 -0.000 0.000 0.252 728 N C -1.518 174.001 175.510 0.015 0.000 1.002 728 N CA 1.078 54.132 53.050 0.007 0.000 0.758 728 N CB -0.609 37.883 38.487 0.007 0.000 0.937 728 N HN 0.221 nan 8.380 nan 0.000 0.538 729 S N -0.600 115.110 115.700 0.016 0.000 2.526 729 S HA 0.499 4.969 4.470 -0.000 0.000 0.293 729 S C -0.497 174.126 174.600 0.038 0.000 1.092 729 S CA -0.591 57.629 58.200 0.032 0.000 0.980 729 S CB 1.892 65.110 63.200 0.031 0.000 1.048 729 S HN 0.335 nan 8.310 nan 0.000 0.483 730 S N 2.066 117.799 115.700 0.055 0.000 2.513 730 S HA 0.558 5.028 4.470 -0.000 0.000 0.276 730 S C -0.785 173.883 174.600 0.113 0.000 1.254 730 S CA -0.443 57.791 58.200 0.057 0.000 1.053 730 S CB 0.150 63.375 63.200 0.043 0.000 0.958 730 S HN 0.477 nan 8.310 nan 0.000 0.491 731 V N 5.590 125.566 119.914 0.104 0.000 2.357 731 V HA 0.341 4.461 4.120 -0.000 0.000 0.281 731 V C -0.261 175.900 176.094 0.112 0.000 1.015 731 V CA -0.711 61.709 62.300 0.199 0.000 0.827 731 V CB 1.413 33.310 31.823 0.125 0.000 1.018 731 V HN 0.936 nan 8.190 nan 0.000 0.432 732 T N 6.537 121.138 114.554 0.078 0.000 2.832 732 T HA 0.492 4.841 4.350 -0.000 0.000 0.313 732 T C -0.011 174.685 174.700 -0.007 0.000 1.035 732 T CA -0.190 61.906 62.100 -0.008 0.000 0.950 732 T CB 0.301 69.138 68.868 -0.051 0.000 0.984 732 T HN 0.350 nan 8.240 nan 0.000 0.486 733 L N 3.253 124.491 121.223 0.026 0.000 2.312 733 L HA 0.531 4.871 4.340 -0.000 0.000 0.287 733 L C 1.032 177.932 176.870 0.050 0.000 1.091 733 L CA -0.243 54.643 54.840 0.078 0.000 0.846 733 L CB 0.257 42.384 42.059 0.113 0.000 1.219 733 L HN 0.953 nan 8.230 nan 0.000 0.439 734 G N 1.857 110.673 108.800 0.026 0.000 3.030 734 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.233 734 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.233 734 G C -0.787 174.088 174.900 -0.042 0.000 1.091 734 G CA -0.737 44.362 45.100 -0.001 0.000 1.113 734 G HN 0.637 nan 8.290 nan 0.000 0.556 735 D N 0.918 121.279 120.400 -0.064 0.000 2.441 735 D HA 0.505 5.145 4.640 -0.000 0.000 0.231 735 D C 1.666 177.915 176.300 -0.086 0.000 1.073 735 D CA 0.104 54.055 54.000 -0.083 0.000 0.850 735 D CB 0.987 41.719 40.800 -0.115 0.000 1.062 735 D HN 0.363 nan 8.370 nan 0.000 0.524 736 S N 3.362 119.007 115.700 -0.092 0.000 2.500 736 S HA -0.117 4.353 4.470 -0.000 0.000 0.239 736 S C 0.847 175.368 174.600 -0.131 0.000 0.989 736 S CA 0.212 58.347 58.200 -0.108 0.000 0.951 736 S CB -0.191 62.945 63.200 -0.106 0.000 0.759 736 S HN 0.375 nan 8.310 nan 0.000 0.523 737 R N 1.801 122.220 120.500 -0.135 0.000 2.248 737 R HA 0.485 4.825 4.340 -0.000 0.000 0.337 737 R C 0.016 176.210 176.300 -0.177 0.000 1.085 737 R CA -0.131 55.848 56.100 -0.201 0.000 0.934 737 R CB 0.844 31.036 30.300 -0.180 0.000 1.034 737 R HN 0.387 nan 8.270 nan 0.000 0.465 738 V N -0.716 119.087 119.914 -0.185 0.000 3.182 738 V HA 0.744 4.864 4.120 -0.000 0.000 0.311 738 V C -0.655 175.444 176.094 0.009 0.000 1.221 738 V CA -1.100 61.237 62.300 0.061 0.000 1.060 738 V CB 1.475 33.461 31.823 0.272 0.000 1.164 738 V HN 0.362 nan 8.190 nan 0.000 0.466 739 F N 0.448 120.612 119.950 0.358 0.000 2.599 739 F HA 0.831 5.358 4.527 -0.000 0.000 0.311 739 F C -0.074 175.831 175.800 0.174 0.000 1.076 739 F CA -0.773 57.433 58.000 0.343 0.000 0.937 739 F CB 1.955 41.057 39.000 0.170 0.000 1.282 739 F HN 0.771 nan 8.300 nan 0.000 0.460 740 I N -1.290 119.405 120.570 0.208 0.000 3.067 740 I HA 0.739 4.909 4.170 -0.000 0.000 0.312 740 I C -1.520 174.641 176.117 0.073 0.000 1.073 740 I CA -0.826 60.435 61.300 -0.066 0.000 1.016 740 I CB 2.264 39.990 38.000 -0.456 0.000 1.227 740 I HN 0.426 nan 8.210 nan 0.000 0.456 741 D N 2.672 123.100 120.400 0.046 0.000 2.425 741 D HA 0.273 4.913 4.640 -0.000 0.000 0.240 741 D C 0.305 176.632 176.300 0.045 0.000 1.080 741 D CA -0.534 53.543 54.000 0.129 0.000 0.836 741 D CB 1.614 42.565 40.800 0.251 0.000 1.125 741 D HN 0.406 nan 8.370 nan 0.000 0.525 742 K N 2.641 123.068 120.400 0.045 0.000 2.442 742 K HA -0.046 4.274 4.320 -0.000 0.000 0.198 742 K C 0.281 176.865 176.600 -0.025 0.000 1.044 742 K CA 0.516 56.786 56.287 -0.030 0.000 0.948 742 K CB -0.106 32.389 32.500 -0.008 0.000 0.762 742 K HN 0.453 nan 8.250 nan 0.000 0.472 743 N N 0.705 119.445 118.700 0.067 0.000 2.235 743 N HA -0.016 4.724 4.740 -0.000 0.000 0.231 743 N C -0.827 174.765 175.510 0.137 0.000 1.177 743 N CA -0.154 52.965 53.050 0.114 0.000 0.874 743 N CB 0.606 39.182 38.487 0.149 0.000 1.097 743 N HN -0.020 nan 8.380 nan 0.000 0.518 744 D N -0.089 120.366 120.400 0.091 0.000 2.417 744 D HA 0.196 4.836 4.640 -0.000 0.000 0.250 744 D C 1.371 177.707 176.300 0.061 0.000 1.166 744 D CA 1.416 55.442 54.000 0.043 0.000 0.881 744 D CB 0.588 41.380 40.800 -0.013 0.000 1.164 744 D HN 0.427 nan 8.370 nan 0.000 0.467 745 G N 3.840 112.671 108.800 0.052 0.000 2.241 745 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 745 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 745 G C 1.100 176.089 174.900 0.149 0.000 0.998 745 G CA 0.281 45.444 45.100 0.106 0.000 0.621 745 G HN 0.508 nan 8.290 nan 0.000 0.519 746 Q N 0.707 120.601 119.800 0.156 0.000 2.444 746 Q HA 0.479 4.819 4.340 -0.000 0.000 0.206 746 Q C 1.534 177.621 176.000 0.146 0.000 0.948 746 Q CA 1.864 57.758 55.803 0.152 0.000 0.946 746 Q CB 0.051 28.885 28.738 0.160 0.000 1.027 746 Q HN 1.879 nan 8.270 nan 0.000 0.513 747 G N -1.418 107.481 108.800 0.165 0.000 2.298 747 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.309 747 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.309 747 G C 0.489 175.509 174.900 0.200 0.000 1.279 747 G CA -0.099 45.105 45.100 0.174 0.000 1.042 747 G HN 0.069 nan 8.290 nan 0.000 0.480 748 T N -0.566 114.110 114.554 0.202 0.000 3.023 748 T HA 0.501 4.851 4.350 -0.000 0.000 0.266 748 T C 1.543 176.392 174.700 0.249 0.000 1.093 748 T CA 1.892 64.139 62.100 0.246 0.000 1.129 748 T CB -0.249 68.764 68.868 0.242 0.000 0.899 748 T HN 2.091 nan 8.240 nan 0.000 0.491 749 A N 2.056 124.976 122.820 0.167 0.000 2.483 749 A HA 0.516 4.836 4.320 -0.000 0.000 0.238 749 A C -0.092 177.594 177.584 0.169 0.000 1.070 749 A CA -0.465 51.621 52.037 0.082 0.000 0.770 749 A CB -0.493 18.536 19.000 0.048 0.000 1.008 749 A HN 0.718 nan 8.150 nan 0.000 0.497 750 F N -1.131 118.840 119.950 0.035 0.000 2.601 750 F HA 0.749 5.276 4.527 -0.000 0.000 0.309 750 F C -0.533 175.272 175.800 0.007 0.000 1.089 750 F CA -0.789 57.224 58.000 0.021 0.000 0.940 750 F CB 1.494 40.465 39.000 -0.049 0.000 1.273 750 F HN 0.302 nan 8.300 nan 0.000 0.450 751 T N 4.371 119.075 114.554 0.250 0.000 2.864 751 T HA 0.478 4.828 4.350 -0.000 0.000 0.299 751 T C -0.441 174.408 174.700 0.248 0.000 1.011 751 T CA -0.438 61.768 62.100 0.177 0.000 0.975 751 T CB 0.962 69.881 68.868 0.085 0.000 0.962 751 T HN 0.644 nan 8.240 nan 0.000 0.448 752 L N 3.159 124.560 121.223 0.297 0.000 2.426 752 L HA 0.447 4.787 4.340 -0.000 0.000 0.271 752 L C 0.609 177.650 176.870 0.285 0.000 1.169 752 L CA -0.034 54.977 54.840 0.284 0.000 0.836 752 L CB 0.612 42.828 42.059 0.262 0.000 1.112 752 L HN 0.661 nan 8.230 nan 0.000 0.465 753 E N 3.052 123.465 120.200 0.355 0.000 2.278 753 E HA 0.238 4.588 4.350 -0.000 0.000 0.272 753 E C -1.255 175.578 176.600 0.388 0.000 0.890 753 E CA -0.689 55.905 56.400 0.324 0.000 0.770 753 E CB 1.630 31.491 29.700 0.267 0.000 1.212 753 E HN 0.555 nan 8.360 nan 0.000 0.415 754 E N 2.542 122.808 120.200 0.110 0.000 2.313 754 E HA 0.610 4.960 4.350 -0.000 0.000 0.272 754 E C -0.531 175.793 176.600 -0.460 0.000 1.038 754 E CA -0.320 55.846 56.400 -0.389 0.000 0.863 754 E CB 1.217 30.588 29.700 -0.549 0.000 1.060 754 E HN 0.646 nan 8.360 nan 0.000 0.402 755 G N 1.143 109.386 108.800 -0.928 0.000 2.600 755 G HA2 0.281 4.240 3.960 -0.000 0.000 0.293 755 G HA3 0.281 4.240 3.960 -0.000 0.000 0.293 755 G C -1.288 173.022 174.900 -0.982 0.000 1.408 755 G CA -0.596 43.620 45.100 -1.474 0.000 0.782 755 G HN 0.416 nan 8.290 nan 0.000 0.482 756 T N 0.664 114.778 114.554 -0.734 0.000 2.767 756 T HA 0.620 4.970 4.350 -0.000 0.000 0.284 756 T C -0.367 174.229 174.700 -0.174 0.000 0.973 756 T CA -0.119 61.774 62.100 -0.345 0.000 0.996 756 T CB 1.252 69.984 68.868 -0.227 0.000 0.927 756 T HN 0.635 nan 8.240 nan 0.000 0.456 757 S N 3.227 118.876 115.700 -0.085 0.000 2.721 757 S HA 0.474 4.944 4.470 -0.000 0.000 0.264 757 S C -0.759 173.756 174.600 -0.141 0.000 1.161 757 S CA -0.567 57.615 58.200 -0.030 0.000 1.113 757 S CB 0.444 63.711 63.200 0.112 0.000 1.079 757 S HN 0.452 nan 8.310 nan 0.000 0.479 758 V N 4.480 124.319 119.914 -0.125 0.000 2.370 758 V HA 0.646 4.766 4.120 -0.000 0.000 0.279 758 V C 0.712 176.713 176.094 -0.155 0.000 1.029 758 V CA -0.668 61.553 62.300 -0.130 0.000 0.870 758 V CB 1.145 32.913 31.823 -0.092 0.000 0.984 758 V HN 0.985 nan 8.190 nan 0.000 0.451 759 A N 3.744 126.459 122.820 -0.175 0.000 2.451 759 A HA 0.458 4.778 4.320 -0.000 0.000 0.266 759 A C 1.181 178.702 177.584 -0.105 0.000 1.119 759 A CA 0.505 52.440 52.037 -0.169 0.000 0.786 759 A CB 0.226 19.125 19.000 -0.167 0.000 1.061 759 A HN 1.059 nan 8.150 nan 0.000 0.503 760 T N 0.096 114.596 114.554 -0.090 0.000 2.978 760 T HA 0.201 4.551 4.350 -0.000 0.000 0.248 760 T C 0.566 175.237 174.700 -0.049 0.000 1.018 760 T CA 0.230 62.294 62.100 -0.060 0.000 1.026 760 T CB -0.128 68.710 68.868 -0.051 0.000 1.032 760 T HN 0.577 nan 8.240 nan 0.000 0.485 761 K N 1.757 122.125 120.400 -0.053 0.000 2.143 761 K HA 0.338 4.657 4.320 -0.000 0.000 0.272 761 K C 0.047 176.624 176.600 -0.037 0.000 1.001 761 K CA -0.602 55.662 56.287 -0.038 0.000 0.915 761 K CB 1.182 33.663 32.500 -0.031 0.000 1.047 761 K HN -0.142 nan 8.250 nan 0.000 0.458 762 D N 1.835 122.220 120.400 -0.025 0.000 2.190 762 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 762 D C 1.611 177.901 176.300 -0.017 0.000 0.992 762 D CA 1.303 55.292 54.000 -0.017 0.000 0.854 762 D CB -0.042 40.752 40.800 -0.010 0.000 0.936 762 D HN 0.686 nan 8.370 nan 0.000 0.462 763 A N 0.253 123.062 122.820 -0.019 0.000 2.121 763 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 763 A C 1.594 179.164 177.584 -0.024 0.000 1.154 763 A CA 1.255 53.283 52.037 -0.016 0.000 0.679 763 A CB 0.009 19.003 19.000 -0.010 0.000 0.795 763 A HN 0.070 nan 8.150 nan 0.000 0.458 764 D N -0.373 119.998 120.400 -0.048 0.000 2.392 764 D HA 0.059 4.699 4.640 -0.000 0.000 0.206 764 D C 0.146 176.393 176.300 -0.090 0.000 1.046 764 D CA 0.239 54.186 54.000 -0.089 0.000 0.865 764 D CB 0.127 40.834 40.800 -0.155 0.000 0.969 764 D HN 0.415 nan 8.370 nan 0.000 0.509 765 K N 1.841 122.207 120.400 -0.055 0.000 2.382 765 K HA 0.142 4.462 4.320 -0.000 0.000 0.275 765 K C 0.633 177.235 176.600 0.002 0.000 1.009 765 K CA -0.098 56.168 56.287 -0.034 0.000 0.970 765 K CB 0.875 33.368 32.500 -0.012 0.000 0.934 765 K HN -0.036 nan 8.250 nan 0.000 0.479 766 S N 0.607 116.319 115.700 0.020 0.000 2.579 766 S HA 0.188 4.658 4.470 -0.000 0.000 0.275 766 S C 0.137 174.800 174.600 0.105 0.000 1.345 766 S CA -0.995 57.248 58.200 0.072 0.000 1.031 766 S CB 0.824 64.077 63.200 0.088 0.000 0.892 766 S HN 0.293 nan 8.310 nan 0.000 0.529 767 V N 2.988 122.976 119.914 0.123 0.000 2.540 767 V HA 0.600 4.720 4.120 -0.000 0.000 0.302 767 V C -0.812 175.386 176.094 0.172 0.000 1.035 767 V CA -0.747 61.623 62.300 0.117 0.000 0.873 767 V CB 1.310 33.163 31.823 0.050 0.000 0.992 767 V HN 0.884 nan 8.190 nan 0.000 0.428 768 F N 4.802 124.766 119.950 0.023 0.000 2.520 768 F HA 0.660 5.187 4.527 -0.000 0.000 0.322 768 F C -0.307 175.389 175.800 -0.174 0.000 1.103 768 F CA -0.424 57.559 58.000 -0.028 0.000 0.926 768 F CB 1.814 40.839 39.000 0.042 0.000 1.154 768 F HN 0.444 nan 8.300 nan 0.000 0.453 769 N N 4.406 122.433 118.700 -1.121 0.000 2.519 769 N HA 0.632 5.372 4.740 -0.000 0.000 0.286 769 N C -0.399 174.509 175.510 -1.002 0.000 1.079 769 N CA -0.298 52.257 53.050 -0.824 0.000 0.878 769 N CB 1.803 40.044 38.487 -0.410 0.000 1.375 769 N HN 1.049 nan 8.380 nan 0.000 0.514 770 G N 0.411 108.792 108.800 -0.698 0.000 2.455 770 G HA2 0.156 4.116 3.960 -0.000 0.000 0.223 770 G HA3 0.156 4.116 3.960 -0.000 0.000 0.223 770 G C -1.518 173.442 174.900 0.101 0.000 1.226 770 G CA -0.328 44.608 45.100 -0.274 0.000 0.948 770 G HN 0.276 nan 8.290 nan 0.000 0.478 771 T N -0.080 114.603 114.554 0.216 0.000 2.887 771 T HA 0.639 4.989 4.350 -0.000 0.000 0.288 771 T C -0.799 174.069 174.700 0.281 0.000 1.021 771 T CA -0.309 61.922 62.100 0.218 0.000 1.000 771 T CB 1.909 70.847 68.868 0.117 0.000 1.034 771 T HN 0.768 nan 8.240 nan 0.000 0.467 772 V N 4.098 124.139 119.914 0.211 0.000 2.444 772 V HA 0.481 4.601 4.120 -0.000 0.000 0.294 772 V C -0.605 175.536 176.094 0.078 0.000 1.022 772 V CA -1.073 61.303 62.300 0.126 0.000 0.850 772 V CB 1.540 33.406 31.823 0.073 0.000 0.992 772 V HN 0.751 nan 8.190 nan 0.000 0.426 773 N N 5.050 123.779 118.700 0.049 0.000 2.399 773 N HA 0.781 5.521 4.740 -0.000 0.000 0.295 773 N C -0.979 174.536 175.510 0.008 0.000 1.048 773 N CA -0.384 52.681 53.050 0.025 0.000 0.886 773 N CB 2.218 40.717 38.487 0.020 0.000 1.185 773 N HN 0.544 nan 8.380 nan 0.000 0.487 774 L N 1.031 122.254 121.223 0.001 0.000 2.422 774 L HA 0.557 4.897 4.340 -0.000 0.000 0.264 774 L C -0.899 175.965 176.870 -0.009 0.000 0.984 774 L CA -0.725 54.112 54.840 -0.006 0.000 0.819 774 L CB 2.249 44.303 42.059 -0.009 0.000 1.330 774 L HN 0.412 nan 8.230 nan 0.000 0.410 775 D N 0.241 120.636 120.400 -0.009 0.000 2.609 775 D HA 0.231 4.871 4.640 -0.000 0.000 0.239 775 D C -0.741 175.554 176.300 -0.008 0.000 1.229 775 D CA -0.490 53.504 54.000 -0.010 0.000 0.808 775 D CB 1.347 42.142 40.800 -0.009 0.000 1.448 775 D HN 0.495 nan 8.370 nan 0.000 0.433 776 N N 2.257 120.952 118.700 -0.009 0.000 2.650 776 N HA -0.247 4.493 4.740 -0.000 0.000 0.272 776 N C -0.661 174.846 175.510 -0.005 0.000 1.058 776 N CA 0.909 53.955 53.050 -0.007 0.000 0.765 776 N CB -0.376 38.108 38.487 -0.005 0.000 0.902 776 N HN 0.503 nan 8.380 nan 0.000 0.551 777 Q N -2.605 117.191 119.800 -0.006 0.000 2.466 777 Q HA -0.164 4.176 4.340 -0.000 0.000 0.248 777 Q C -0.392 175.606 176.000 -0.003 0.000 0.791 777 Q CA 1.260 57.060 55.803 -0.005 0.000 1.225 777 Q CB -2.399 26.338 28.738 -0.002 0.000 1.418 777 Q HN 0.676 nan 8.270 nan 0.000 0.662 778 S N -0.032 115.666 115.700 -0.004 0.000 2.576 778 S HA 0.445 4.915 4.470 -0.000 0.000 0.276 778 S C 0.497 175.095 174.600 -0.005 0.000 1.339 778 S CA -0.363 57.836 58.200 -0.001 0.000 1.039 778 S CB 1.406 64.604 63.200 -0.003 0.000 0.902 778 S HN 0.167 nan 8.310 nan 0.000 0.516 779 V N 3.837 123.751 119.914 -0.001 0.000 2.409 779 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 779 V C -0.577 175.511 176.094 -0.010 0.000 1.020 779 V CA -0.728 61.567 62.300 -0.009 0.000 0.848 779 V CB 1.365 33.184 31.823 -0.007 0.000 0.990 779 V HN 0.667 nan 8.190 nan 0.000 0.430 780 L N 5.949 127.154 121.223 -0.030 0.000 2.265 780 L HA 0.586 4.926 4.340 -0.000 0.000 0.289 780 L C -0.219 176.605 176.870 -0.076 0.000 1.033 780 L CA 0.173 54.982 54.840 -0.051 0.000 0.814 780 L CB 0.942 42.956 42.059 -0.075 0.000 1.203 780 L HN 0.582 nan 8.230 nan 0.000 0.423 781 N N 7.058 125.718 118.700 -0.067 0.000 2.444 781 N HA 0.372 5.112 4.740 -0.000 0.000 0.262 781 N C -0.772 174.673 175.510 -0.108 0.000 0.974 781 N CA -0.182 52.819 53.050 -0.082 0.000 0.933 781 N CB 1.891 40.346 38.487 -0.053 0.000 1.137 781 N HN 0.566 nan 8.380 nan 0.000 0.498 782 I N 2.393 122.862 120.570 -0.168 0.000 2.282 782 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 782 I C 0.323 176.374 176.117 -0.108 0.000 1.090 782 I CA -0.326 60.848 61.300 -0.210 0.000 1.231 782 I CB 0.215 37.941 38.000 -0.457 0.000 1.434 782 I HN 0.253 nan 8.210 nan 0.000 0.487 783 N N 4.832 123.504 118.700 -0.046 0.000 2.235 783 N HA 0.100 4.840 4.740 -0.000 0.000 0.231 783 N C -0.405 175.107 175.510 0.002 0.000 1.177 783 N CA -0.059 52.974 53.050 -0.029 0.000 0.874 783 N CB 0.667 39.132 38.487 -0.036 0.000 1.097 783 N HN 0.635 nan 8.380 nan 0.000 0.518 784 D N -0.841 119.587 120.400 0.046 0.000 2.812 784 D HA 0.267 4.907 4.640 -0.000 0.000 0.318 784 D C -0.396 175.989 176.300 0.141 0.000 1.234 784 D CA -0.645 53.404 54.000 0.081 0.000 0.989 784 D CB 0.491 41.352 40.800 0.103 0.000 1.442 784 D HN -0.190 nan 8.370 nan 0.000 0.537 785 I N 0.330 120.986 120.570 0.142 0.000 2.436 785 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 785 I C -0.610 175.662 176.117 0.259 0.000 1.083 785 I CA -0.147 61.248 61.300 0.159 0.000 1.372 785 I CB 0.006 38.063 38.000 0.096 0.000 1.408 785 I HN 0.202 nan 8.210 nan 0.000 0.516 786 F N 7.645 127.663 119.950 0.114 0.000 2.557 786 F HA 0.481 5.008 4.527 -0.000 0.000 0.316 786 F C -0.852 175.048 175.800 0.166 0.000 1.141 786 F CA -0.556 57.557 58.000 0.188 0.000 0.922 786 F CB 1.251 40.330 39.000 0.131 0.000 1.194 786 F HN 0.346 nan 8.300 nan 0.000 0.443 787 N N 4.242 122.788 118.700 -0.258 0.000 2.540 787 N HA 0.649 5.389 4.740 -0.000 0.000 0.275 787 N C -0.929 174.378 175.510 -0.338 0.000 1.053 787 N CA -0.462 52.495 53.050 -0.155 0.000 0.876 787 N CB 1.975 40.408 38.487 -0.091 0.000 1.284 787 N HN 0.985 nan 8.380 nan 0.000 0.518 788 G N 0.097 108.782 108.800 -0.192 0.000 2.387 788 G HA2 0.437 4.397 3.960 -0.000 0.000 0.294 788 G HA3 0.437 4.397 3.960 -0.000 0.000 0.294 788 G C -0.983 174.047 174.900 0.217 0.000 1.509 788 G CA -0.739 44.337 45.100 -0.041 0.000 0.806 788 G HN 0.422 nan 8.290 nan 0.000 0.546 789 G N -1.032 107.880 108.800 0.187 0.000 2.451 789 G HA2 0.656 4.616 3.960 -0.000 0.000 0.303 789 G HA3 0.656 4.616 3.960 -0.000 0.000 0.303 789 G C -0.454 174.573 174.900 0.212 0.000 1.166 789 G CA -0.662 44.554 45.100 0.193 0.000 0.884 789 G HN 0.706 nan 8.290 nan 0.000 0.514 790 I N 0.554 121.224 120.570 0.168 0.000 2.498 790 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 790 I C -0.921 175.221 176.117 0.042 0.000 1.032 790 I CA -0.809 60.564 61.300 0.122 0.000 1.073 790 I CB 2.411 40.483 38.000 0.120 0.000 1.251 790 I HN 0.173 nan 8.210 nan 0.000 0.426 791 Q N 5.523 125.338 119.800 0.026 0.000 2.401 791 Q HA 0.672 5.012 4.340 -0.000 0.000 0.260 791 Q C -0.946 175.045 176.000 -0.015 0.000 1.034 791 Q CA -0.441 55.356 55.803 -0.009 0.000 0.737 791 Q CB 2.428 31.164 28.738 -0.002 0.000 1.227 791 Q HN 0.762 nan 8.270 nan 0.000 0.488 792 A N 3.197 125.995 122.820 -0.035 0.000 2.374 792 A HA 0.781 5.101 4.320 -0.000 0.000 0.317 792 A C -0.630 176.931 177.584 -0.038 0.000 1.094 792 A CA -0.625 51.394 52.037 -0.030 0.000 0.765 792 A CB 1.366 20.350 19.000 -0.027 0.000 1.268 792 A HN 0.561 nan 8.150 nan 0.000 0.438 793 N N 1.699 120.382 118.700 -0.029 0.000 2.397 793 N HA 0.169 4.909 4.740 -0.000 0.000 0.291 793 N C -0.892 174.604 175.510 -0.022 0.000 1.065 793 N CA -0.287 52.746 53.050 -0.028 0.000 0.884 793 N CB 1.186 39.658 38.487 -0.025 0.000 1.551 793 N HN 0.693 nan 8.380 nan 0.000 0.487 794 N N 1.030 119.716 118.700 -0.023 0.000 2.727 794 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 794 N C -0.782 174.719 175.510 -0.016 0.000 1.048 794 N CA 1.124 54.163 53.050 -0.018 0.000 0.714 794 N CB -0.775 37.703 38.487 -0.015 0.000 0.959 794 N HN 0.522 nan 8.380 nan 0.000 0.544 795 S N -1.109 114.580 115.700 -0.018 0.000 3.081 795 S HA 0.709 5.179 4.470 -0.000 0.000 0.316 795 S C -0.025 174.565 174.600 -0.016 0.000 1.089 795 S CA -0.542 57.649 58.200 -0.015 0.000 0.897 795 S CB 2.195 65.386 63.200 -0.015 0.000 1.358 795 S HN 0.136 nan 8.310 nan 0.000 0.678 796 T N 1.478 116.022 114.554 -0.017 0.000 3.109 796 T HA 0.454 4.804 4.350 -0.000 0.000 0.311 796 T C -1.201 173.483 174.700 -0.026 0.000 1.011 796 T CA -0.468 61.621 62.100 -0.019 0.000 1.026 796 T CB 1.265 70.122 68.868 -0.019 0.000 1.047 796 T HN 0.338 nan 8.240 nan 0.000 0.448 797 V N 4.637 124.535 119.914 -0.026 0.000 2.432 797 V HA 0.422 4.542 4.120 -0.000 0.000 0.275 797 V C -0.019 176.043 176.094 -0.053 0.000 1.043 797 V CA -0.812 61.460 62.300 -0.047 0.000 0.925 797 V CB 0.829 32.628 31.823 -0.039 0.000 0.985 797 V HN 0.786 nan 8.190 nan 0.000 0.466 798 N N 5.733 124.390 118.700 -0.072 0.000 2.407 798 N HA 0.547 5.287 4.740 -0.000 0.000 0.277 798 N C -0.989 174.461 175.510 -0.101 0.000 0.995 798 N CA -0.385 52.622 53.050 -0.070 0.000 0.903 798 N CB 2.654 41.108 38.487 -0.056 0.000 1.218 798 N HN 0.505 nan 8.380 nan 0.000 0.487 799 I N 1.411 121.923 120.570 -0.098 0.000 2.378 799 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 799 I C 1.072 177.140 176.117 -0.081 0.000 0.992 799 I CA -0.310 60.919 61.300 -0.118 0.000 1.154 799 I CB 1.605 39.532 38.000 -0.122 0.000 1.315 799 I HN 0.551 nan 8.210 nan 0.000 0.448 800 S N 1.983 117.639 115.700 -0.075 0.000 2.604 800 S HA 0.080 4.550 4.470 -0.000 0.000 0.235 800 S C 0.709 175.282 174.600 -0.044 0.000 1.043 800 S CA -0.367 57.801 58.200 -0.053 0.000 0.997 800 S CB 0.399 63.570 63.200 -0.049 0.000 0.956 800 S HN 0.546 nan 8.310 nan 0.000 0.535 801 S N 2.791 118.462 115.700 -0.047 0.000 2.562 801 S HA 0.175 4.645 4.470 -0.000 0.000 0.281 801 S C 0.653 175.243 174.600 -0.017 0.000 1.333 801 S CA 0.137 58.322 58.200 -0.023 0.000 1.052 801 S CB 0.516 63.711 63.200 -0.008 0.000 0.884 801 S HN 0.546 nan 8.310 nan 0.000 0.506 802 D N 1.710 122.106 120.400 -0.007 0.000 2.342 802 D HA 0.102 4.742 4.640 -0.000 0.000 0.221 802 D C -0.317 175.989 176.300 0.010 0.000 1.101 802 D CA -0.198 53.799 54.000 -0.005 0.000 0.837 802 D CB -0.103 40.690 40.800 -0.011 0.000 0.938 802 D HN 0.229 nan 8.370 nan 0.000 0.508 803 S N -0.017 115.701 115.700 0.031 0.000 2.359 803 S HA 0.609 5.079 4.470 -0.000 0.000 0.148 803 S C -0.420 174.245 174.600 0.108 0.000 1.610 803 S CA -0.773 57.461 58.200 0.057 0.000 1.274 803 S CB 0.928 64.163 63.200 0.058 0.000 1.380 803 S HN 0.479 nan 8.310 nan 0.000 0.380 804 A N 1.396 124.278 122.820 0.103 0.000 2.330 804 A HA 0.849 5.169 4.320 -0.000 0.000 0.327 804 A C -0.503 177.193 177.584 0.187 0.000 1.155 804 A CA -0.683 51.468 52.037 0.189 0.000 0.803 804 A CB 0.990 20.030 19.000 0.067 0.000 1.208 804 A HN 0.428 nan 8.150 nan 0.000 0.477 805 V N 4.068 124.151 119.914 0.282 0.000 2.407 805 V HA 0.346 4.466 4.120 -0.000 0.000 0.291 805 V C -0.431 175.841 176.094 0.297 0.000 1.018 805 V CA -0.284 62.140 62.300 0.206 0.000 0.842 805 V CB 1.233 33.136 31.823 0.133 0.000 0.996 805 V HN 0.760 nan 8.190 nan 0.000 0.426 806 L N 4.584 125.957 121.223 0.252 0.000 2.282 806 L HA 0.700 5.040 4.340 -0.000 0.000 0.288 806 L C 0.983 177.990 176.870 0.227 0.000 1.033 806 L CA -0.189 54.834 54.840 0.305 0.000 0.807 806 L CB 1.398 43.625 42.059 0.281 0.000 1.209 806 L HN 0.728 nan 8.230 nan 0.000 0.423 807 G N 1.861 110.786 108.800 0.208 0.000 2.510 807 G HA2 0.056 4.016 3.960 -0.000 0.000 0.280 807 G HA3 0.056 4.016 3.960 -0.000 0.000 0.280 807 G C -0.016 174.982 174.900 0.163 0.000 1.386 807 G CA -0.690 44.501 45.100 0.151 0.000 1.047 807 G HN 0.711 nan 8.290 nan 0.000 0.527 808 N N 0.199 118.972 118.700 0.121 0.000 2.236 808 N HA -0.028 4.712 4.740 -0.000 0.000 0.274 808 N C -0.511 175.047 175.510 0.080 0.000 1.339 808 N CA 0.671 53.782 53.050 0.102 0.000 0.845 808 N CB 0.105 38.634 38.487 0.070 0.000 1.091 808 N HN 0.240 nan 8.380 nan 0.000 0.489 809 S N 1.388 117.117 115.700 0.049 0.000 2.570 809 S HA 0.475 4.945 4.470 -0.000 0.000 0.286 809 S C -0.694 173.775 174.600 -0.217 0.000 1.099 809 S CA -0.679 57.494 58.200 -0.046 0.000 0.913 809 S CB 2.284 65.491 63.200 0.011 0.000 1.085 809 S HN 0.426 nan 8.310 nan 0.000 0.480 810 T N 2.733 117.161 114.554 -0.211 0.000 2.906 810 T HA 0.475 4.825 4.350 -0.000 0.000 0.302 810 T C -1.253 173.313 174.700 -0.223 0.000 1.002 810 T CA -0.441 61.510 62.100 -0.248 0.000 0.988 810 T CB 0.472 69.250 68.868 -0.149 0.000 0.972 810 T HN 0.195 nan 8.240 nan 0.000 0.447 811 L N 3.059 124.105 121.223 -0.294 0.000 2.309 811 L HA 0.670 5.010 4.340 -0.000 0.000 0.282 811 L C 0.524 177.315 176.870 -0.131 0.000 1.036 811 L CA -0.171 54.563 54.840 -0.177 0.000 0.806 811 L CB 1.588 43.553 42.059 -0.156 0.000 1.220 811 L HN 0.577 nan 8.230 nan 0.000 0.429 812 T N 0.937 115.440 114.554 -0.084 0.000 2.840 812 T HA 0.276 4.626 4.350 -0.000 0.000 0.287 812 T C 0.328 175.000 174.700 -0.048 0.000 0.991 812 T CA -0.599 61.463 62.100 -0.064 0.000 0.964 812 T CB 1.273 70.108 68.868 -0.055 0.000 0.954 812 T HN 0.536 nan 8.240 nan 0.000 0.438 813 S N 2.194 117.869 115.700 -0.042 0.000 3.486 813 S HA -0.143 4.327 4.470 -0.000 0.000 0.371 813 S C 0.245 174.826 174.600 -0.030 0.000 1.001 813 S CA 0.970 59.150 58.200 -0.033 0.000 1.164 813 S CB -0.889 62.295 63.200 -0.026 0.000 0.911 813 S HN 0.833 nan 8.310 nan 0.000 0.472 814 T N 1.498 116.031 114.554 -0.035 0.000 2.965 814 T HA 0.603 4.953 4.350 -0.000 0.000 0.306 814 T C 0.007 174.695 174.700 -0.020 0.000 0.991 814 T CA 0.104 62.188 62.100 -0.027 0.000 1.001 814 T CB 1.580 70.430 68.868 -0.030 0.000 0.984 814 T HN 0.502 nan 8.240 nan 0.000 0.446 815 A N 3.012 125.822 122.820 -0.016 0.000 2.440 815 A HA 0.592 4.912 4.320 -0.000 0.000 0.251 815 A C -0.080 177.506 177.584 0.004 0.000 1.089 815 A CA -0.367 51.664 52.037 -0.011 0.000 0.779 815 A CB 0.049 19.040 19.000 -0.015 0.000 1.022 815 A HN 0.701 nan 8.150 nan 0.000 0.492 816 L N 3.579 124.815 121.223 0.022 0.000 2.264 816 L HA 0.350 4.690 4.340 -0.000 0.000 0.287 816 L C -0.810 176.060 176.870 0.000 0.000 1.039 816 L CA -0.330 54.529 54.840 0.031 0.000 0.829 816 L CB 0.425 42.542 42.059 0.096 0.000 1.211 816 L HN 0.624 nan 8.230 nan 0.000 0.427 817 N N 6.156 124.847 118.700 -0.015 0.000 2.425 817 N HA 0.385 5.124 4.740 -0.000 0.000 0.268 817 N C -1.119 174.371 175.510 -0.032 0.000 0.991 817 N CA -0.340 52.697 53.050 -0.022 0.000 0.931 817 N CB 1.854 40.326 38.487 -0.024 0.000 1.130 817 N HN 0.419 nan 8.380 nan 0.000 0.493 818 L N 2.527 123.732 121.223 -0.029 0.000 2.272 818 L HA 0.367 4.707 4.340 -0.000 0.000 0.289 818 L C 0.447 177.298 176.870 -0.032 0.000 1.032 818 L CA -0.330 54.487 54.840 -0.037 0.000 0.810 818 L CB 0.720 42.757 42.059 -0.037 0.000 1.205 818 L HN 0.400 nan 8.230 nan 0.000 0.422 819 N N 1.168 119.847 118.700 -0.036 0.000 2.525 819 N HA 0.421 5.161 4.740 -0.000 0.000 0.288 819 N C -0.753 174.738 175.510 -0.031 0.000 1.242 819 N CA -1.132 51.900 53.050 -0.032 0.000 0.905 819 N CB 1.014 39.481 38.487 -0.032 0.000 1.258 819 N HN 0.401 nan 8.380 nan 0.000 0.551 820 K N 0.055 120.437 120.400 -0.028 0.000 2.550 820 K HA 0.035 4.355 4.320 -0.000 0.000 0.280 820 K C 0.909 177.492 176.600 -0.029 0.000 0.987 820 K CA 1.329 57.599 56.287 -0.027 0.000 1.048 820 K CB -0.272 32.213 32.500 -0.025 0.000 0.879 820 K HN 0.693 nan 8.250 nan 0.000 0.491 821 G N 1.884 110.667 108.800 -0.029 0.000 2.253 821 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.251 821 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.251 821 G C 0.251 175.133 174.900 -0.029 0.000 0.998 821 G CA 0.136 45.219 45.100 -0.028 0.000 0.621 821 G HN 0.999 nan 8.290 nan 0.000 0.524 822 A N 0.002 122.803 122.820 -0.032 0.000 2.445 822 A HA 0.564 4.884 4.320 -0.000 0.000 0.242 822 A C 0.388 177.952 177.584 -0.033 0.000 1.075 822 A CA 0.827 52.843 52.037 -0.035 0.000 0.777 822 A CB 0.415 19.390 19.000 -0.042 0.000 1.013 822 A HN 0.945 nan 8.150 nan 0.000 0.493 823 N N -0.011 118.672 118.700 -0.028 0.000 2.519 823 N HA 0.555 5.295 4.740 -0.000 0.000 0.291 823 N C -1.401 174.099 175.510 -0.016 0.000 1.107 823 N CA 0.318 53.353 53.050 -0.026 0.000 0.904 823 N CB 1.879 40.353 38.487 -0.022 0.000 1.500 823 N HN 0.947 nan 8.380 nan 0.000 0.510 824 A N 2.584 125.391 122.820 -0.023 0.000 2.449 824 A HA 0.651 4.971 4.320 -0.000 0.000 0.302 824 A C -1.677 175.900 177.584 -0.012 0.000 1.048 824 A CA -0.642 51.390 52.037 -0.008 0.000 0.708 824 A CB 1.389 20.378 19.000 -0.020 0.000 1.274 824 A HN 0.525 nan 8.150 nan 0.000 0.410 825 L N 2.290 123.522 121.223 0.015 0.000 2.287 825 L HA 0.771 5.110 4.340 -0.000 0.000 0.287 825 L C 0.265 177.159 176.870 0.040 0.000 1.022 825 L CA -0.237 54.610 54.840 0.011 0.000 0.814 825 L CB 1.257 43.328 42.059 0.021 0.000 1.217 825 L HN 0.901 nan 8.230 nan 0.000 0.420 826 A N 3.231 126.064 122.820 0.023 0.000 2.316 826 A HA 0.486 4.806 4.320 -0.000 0.000 0.311 826 A C 0.849 178.486 177.584 0.087 0.000 1.339 826 A CA 0.191 52.277 52.037 0.081 0.000 0.960 826 A CB -0.012 19.024 19.000 0.060 0.000 1.152 826 A HN 0.935 nan 8.150 nan 0.000 0.547 827 S N 1.717 117.478 115.700 0.101 0.000 2.575 827 S HA 0.163 4.633 4.470 -0.000 0.000 0.215 827 S C 0.593 175.243 174.600 0.082 0.000 0.966 827 S CA 0.077 58.321 58.200 0.073 0.000 0.911 827 S CB -0.036 63.202 63.200 0.064 0.000 0.780 827 S HN 0.777 nan 8.310 nan 0.000 0.514 828 Q N 0.260 120.131 119.800 0.118 0.000 2.943 828 Q HA 0.488 4.828 4.340 -0.000 0.000 0.328 828 Q C -0.858 175.245 176.000 0.171 0.000 0.934 828 Q CA -0.995 54.880 55.803 0.120 0.000 0.782 828 Q CB 1.072 29.875 28.738 0.108 0.000 1.470 828 Q HN 0.158 nan 8.270 nan 0.000 0.503 829 S N 0.626 116.432 115.700 0.177 0.000 2.559 829 S HA 0.179 4.649 4.470 -0.000 0.000 0.282 829 S C -0.880 173.885 174.600 0.275 0.000 1.336 829 S CA 0.274 58.612 58.200 0.231 0.000 1.037 829 S CB 0.009 63.348 63.200 0.231 0.000 0.853 829 S HN 0.413 nan 8.310 nan 0.000 0.523 830 F N 1.883 121.916 119.950 0.140 0.000 2.588 830 F HA 0.556 5.083 4.527 -0.000 0.000 0.318 830 F C -1.467 174.406 175.800 0.122 0.000 1.155 830 F CA -0.634 57.445 58.000 0.133 0.000 0.967 830 F CB 1.144 40.256 39.000 0.188 0.000 1.236 830 F HN 0.279 nan 8.300 nan 0.000 0.455 831 V N 5.132 124.761 119.914 -0.474 0.000 2.447 831 V HA 0.503 4.623 4.120 -0.000 0.000 0.292 831 V C -0.751 175.089 176.094 -0.424 0.000 1.021 831 V CA -0.498 61.651 62.300 -0.251 0.000 0.850 831 V CB 1.493 33.190 31.823 -0.210 0.000 1.005 831 V HN 0.794 nan 8.190 nan 0.000 0.426 832 S N 2.380 117.947 115.700 -0.223 0.000 2.513 832 S HA 0.454 4.924 4.470 -0.000 0.000 0.299 832 S C 0.188 174.745 174.600 -0.073 0.000 1.087 832 S CA -0.579 57.511 58.200 -0.183 0.000 1.012 832 S CB 1.634 64.764 63.200 -0.116 0.000 1.044 832 S HN 0.915 nan 8.310 nan 0.000 0.485 833 D N 2.454 122.810 120.400 -0.073 0.000 2.370 833 D HA 0.289 4.929 4.640 -0.000 0.000 0.230 833 D C 0.568 176.833 176.300 -0.060 0.000 1.143 833 D CA -0.188 53.783 54.000 -0.049 0.000 0.834 833 D CB -0.081 40.695 40.800 -0.039 0.000 0.944 833 D HN 0.519 nan 8.370 nan 0.000 0.504 834 G N -0.027 108.724 108.800 -0.081 0.000 2.827 834 G HA2 0.561 4.521 3.960 -0.000 0.000 0.296 834 G HA3 0.561 4.521 3.960 -0.000 0.000 0.296 834 G C -3.176 171.657 174.900 -0.111 0.000 1.362 834 G CA -1.390 43.665 45.100 -0.076 0.000 0.809 834 G HN -0.076 nan 8.290 nan 0.000 0.522 835 P HA 0.405 nan 4.420 nan 0.000 0.280 835 P C -0.604 176.642 177.300 -0.090 0.000 1.244 835 P CA -0.388 62.654 63.100 -0.097 0.000 0.784 835 P CB 1.801 33.471 31.700 -0.049 0.000 0.913 836 V N 4.658 124.493 119.914 -0.131 0.000 2.293 836 V HA 0.213 4.333 4.120 -0.000 0.000 0.275 836 V C 0.023 176.117 176.094 -0.001 0.000 1.021 836 V CA -0.567 61.691 62.300 -0.071 0.000 0.815 836 V CB 0.302 32.049 31.823 -0.127 0.000 1.025 836 V HN 0.472 nan 8.190 nan 0.000 0.448 837 N N 6.115 124.815 118.700 -0.001 0.000 2.426 837 N HA 0.481 5.221 4.740 -0.000 0.000 0.257 837 N C -0.610 174.903 175.510 0.006 0.000 1.002 837 N CA -0.177 52.877 53.050 0.007 0.000 0.942 837 N CB 2.104 40.589 38.487 -0.003 0.000 1.112 837 N HN 0.520 nan 8.380 nan 0.000 0.499 838 I N 1.374 121.952 120.570 0.013 0.000 2.330 838 I HA 0.156 4.326 4.170 -0.000 0.000 0.286 838 I C -0.142 175.969 176.117 -0.010 0.000 1.025 838 I CA -0.335 60.964 61.300 -0.002 0.000 1.197 838 I CB 0.767 38.766 38.000 -0.002 0.000 1.358 838 I HN 0.185 nan 8.210 nan 0.000 0.467 839 S N 4.979 120.669 115.700 -0.016 0.000 2.594 839 S HA 0.203 4.673 4.470 -0.000 0.000 0.322 839 S C -0.095 174.492 174.600 -0.022 0.000 1.085 839 S CA -0.509 57.681 58.200 -0.017 0.000 1.116 839 S CB 0.695 63.886 63.200 -0.016 0.000 0.979 839 S HN 0.649 nan 8.310 nan 0.000 0.465 840 D N 1.479 121.865 120.400 -0.023 0.000 2.737 840 D HA -0.194 4.446 4.640 -0.000 0.000 0.233 840 D C 0.098 176.380 176.300 -0.029 0.000 1.155 840 D CA 1.347 55.332 54.000 -0.025 0.000 0.667 840 D CB -0.819 39.968 40.800 -0.023 0.000 1.060 840 D HN 0.664 nan 8.370 nan 0.000 0.427 841 A N -0.941 121.859 122.820 -0.032 0.000 2.435 841 A HA 0.783 5.103 4.320 -0.000 0.000 0.296 841 A C 0.045 177.603 177.584 -0.043 0.000 1.147 841 A CA -0.422 51.594 52.037 -0.036 0.000 0.775 841 A CB 1.817 20.796 19.000 -0.035 0.000 1.340 841 A HN -0.028 nan 8.150 nan 0.000 0.427 842 T N 1.194 115.720 114.554 -0.046 0.000 2.786 842 T HA 0.517 4.867 4.350 -0.000 0.000 0.283 842 T C -1.108 173.554 174.700 -0.062 0.000 0.992 842 T CA -0.094 61.971 62.100 -0.058 0.000 0.954 842 T CB 0.797 69.632 68.868 -0.054 0.000 0.934 842 T HN 0.582 nan 8.240 nan 0.000 0.440 843 L N 3.714 124.889 121.223 -0.080 0.000 2.305 843 L HA 0.678 5.018 4.340 -0.000 0.000 0.284 843 L C -0.397 176.398 176.870 -0.126 0.000 1.013 843 L CA -0.032 54.752 54.840 -0.092 0.000 0.819 843 L CB 1.413 43.421 42.059 -0.086 0.000 1.227 843 L HN 0.556 nan 8.230 nan 0.000 0.417 844 S N 5.514 121.150 115.700 -0.107 0.000 2.549 844 S HA 0.775 5.245 4.470 -0.000 0.000 0.297 844 S C -0.647 173.882 174.600 -0.118 0.000 1.115 844 S CA -0.646 57.481 58.200 -0.121 0.000 1.059 844 S CB 1.441 64.587 63.200 -0.089 0.000 1.046 844 S HN 0.545 nan 8.310 nan 0.000 0.506 845 L N 2.498 123.637 121.223 -0.140 0.000 2.362 845 L HA 0.510 4.850 4.340 -0.000 0.000 0.275 845 L C 0.873 177.705 176.870 -0.063 0.000 0.998 845 L CA -0.638 54.137 54.840 -0.108 0.000 0.820 845 L CB 1.214 43.167 42.059 -0.177 0.000 1.270 845 L HN 0.698 nan 8.230 nan 0.000 0.415 846 N N 0.273 118.967 118.700 -0.011 0.000 1.964 846 N HA -0.264 4.476 4.740 -0.000 0.000 0.221 846 N C 0.047 175.548 175.510 -0.014 0.000 0.848 846 N CA 2.107 55.161 53.050 0.007 0.000 3.585 846 N CB -0.386 38.113 38.487 0.021 0.000 0.745 846 N HN 0.741 nan 8.380 nan 0.000 0.357 847 S N -0.462 115.214 115.700 -0.041 0.000 2.546 847 S HA 0.626 5.096 4.470 -0.000 0.000 0.274 847 S C -0.846 173.718 174.600 -0.060 0.000 1.121 847 S CA -0.758 57.413 58.200 -0.048 0.000 0.887 847 S CB 1.463 64.628 63.200 -0.057 0.000 1.094 847 S HN 0.272 nan 8.310 nan 0.000 0.474 848 R N 2.674 123.143 120.500 -0.051 0.000 2.582 848 R HA 0.279 4.618 4.340 -0.000 0.000 0.271 848 R C -1.739 174.524 176.300 -0.062 0.000 1.078 848 R CA -1.653 54.415 56.100 -0.053 0.000 1.127 848 R CB 0.220 30.497 30.300 -0.038 0.000 1.038 848 R HN 0.550 nan 8.270 nan 0.000 0.500 849 P HA -0.011 nan 4.420 nan 0.000 0.249 849 P C -0.437 176.831 177.300 -0.053 0.000 1.241 849 P CA 0.727 63.788 63.100 -0.065 0.000 0.781 849 P CB 0.239 31.898 31.700 -0.070 0.000 1.088 850 D N -1.831 118.542 120.400 -0.046 0.000 2.582 850 D HA 0.212 4.852 4.640 -0.000 0.000 0.246 850 D C -0.116 176.163 176.300 -0.035 0.000 1.334 850 D CA -0.285 53.693 54.000 -0.037 0.000 0.805 850 D CB 0.136 40.918 40.800 -0.031 0.000 1.087 850 D HN 0.053 nan 8.370 nan 0.000 0.499 851 E N -0.053 120.121 120.200 -0.044 0.000 2.308 851 E HA 0.512 4.862 4.350 -0.000 0.000 0.275 851 E C -1.750 174.806 176.600 -0.073 0.000 0.890 851 E CA -0.827 55.544 56.400 -0.047 0.000 0.754 851 E CB 2.503 32.177 29.700 -0.043 0.000 1.207 851 E HN -0.103 nan 8.360 nan 0.000 0.426 852 V N 2.849 122.708 119.914 -0.091 0.000 2.384 852 V HA 0.530 4.649 4.120 -0.000 0.000 0.287 852 V C -0.143 175.784 176.094 -0.278 0.000 1.020 852 V CA -0.763 61.431 62.300 -0.177 0.000 0.850 852 V CB 1.418 33.134 31.823 -0.179 0.000 0.987 852 V HN 0.638 nan 8.190 nan 0.000 0.436 853 S N 3.026 118.551 115.700 -0.291 0.000 2.525 853 S HA 0.464 4.934 4.470 -0.000 0.000 0.290 853 S C 0.212 174.568 174.600 -0.406 0.000 1.152 853 S CA -0.567 57.487 58.200 -0.244 0.000 1.072 853 S CB 0.596 63.727 63.200 -0.116 0.000 1.027 853 S HN 0.801 nan 8.310 nan 0.000 0.500 854 H N 2.958 122.014 119.070 -0.023 0.000 2.512 854 H HA 0.230 4.786 4.556 -0.000 0.000 0.276 854 H C 0.254 175.551 175.328 -0.052 0.000 1.126 854 H CA 0.133 56.160 56.048 -0.034 0.000 1.060 854 H CB 0.077 29.820 29.762 -0.031 0.000 1.646 854 H HN 0.697 nan 8.280 nan 0.000 0.571 855 T N -0.986 113.570 114.554 0.004 0.000 3.533 855 T HA 0.348 4.697 4.350 -0.000 0.000 0.275 855 T C 0.216 174.883 174.700 -0.054 0.000 1.000 855 T CA -0.305 61.781 62.100 -0.024 0.000 1.015 855 T CB -0.224 68.638 68.868 -0.010 0.000 1.153 855 T HN 0.000 nan 8.240 nan 0.000 0.504 856 L N 1.247 122.422 121.223 -0.081 0.000 2.379 856 L HA 0.622 4.962 4.340 -0.000 0.000 0.269 856 L C -0.510 176.283 176.870 -0.128 0.000 1.084 856 L CA -1.260 53.533 54.840 -0.079 0.000 0.802 856 L CB 1.133 43.171 42.059 -0.035 0.000 1.175 856 L HN 0.175 nan 8.230 nan 0.000 0.448 857 L N 3.198 124.373 121.223 -0.080 0.000 2.334 857 L HA 0.542 4.882 4.340 -0.000 0.000 0.273 857 L C -2.229 174.602 176.870 -0.065 0.000 1.013 857 L CA -2.087 52.698 54.840 -0.092 0.000 0.816 857 L CB 1.129 43.165 42.059 -0.038 0.000 1.278 857 L HN 0.276 nan 8.230 nan 0.000 0.431 858 P HA 0.213 nan 4.420 nan 0.000 0.268 858 P C -1.095 176.233 177.300 0.046 0.000 1.204 858 P CA -0.113 62.990 63.100 0.005 0.000 0.768 858 P CB 0.621 32.349 31.700 0.048 0.000 0.842 859 V N 1.329 121.302 119.914 0.099 0.000 2.962 859 V HA 0.551 4.670 4.120 -0.000 0.000 0.313 859 V C -1.083 175.034 176.094 0.038 0.000 1.099 859 V CA -1.157 61.187 62.300 0.073 0.000 0.971 859 V CB 1.449 33.349 31.823 0.129 0.000 1.028 859 V HN 0.264 nan 8.190 nan 0.000 0.430 860 Y N 0.669 121.018 120.300 0.082 0.000 2.301 860 Y HA 0.644 5.194 4.550 -0.000 0.000 0.325 860 Y C 0.328 176.311 175.900 0.138 0.000 1.203 860 Y CA -0.017 58.074 58.100 -0.014 0.000 1.255 860 Y CB 1.077 39.338 38.460 -0.332 0.000 1.232 860 Y HN 0.685 nan 8.280 nan 0.000 0.501 861 D N 2.338 123.025 120.400 0.479 0.000 2.328 861 D HA 0.126 4.766 4.640 -0.000 0.000 0.243 861 D C -1.662 175.231 176.300 0.989 0.000 1.324 861 D CA -0.285 54.103 54.000 0.647 0.000 0.966 861 D CB 0.746 41.788 40.800 0.402 0.000 1.324 861 D HN 0.330 nan 8.370 nan 0.000 0.549 862 Y N 0.817 121.462 120.300 0.576 0.000 2.350 862 Y HA 0.668 5.218 4.550 -0.000 0.000 0.338 862 Y C 0.077 176.077 175.900 0.168 0.000 0.961 862 Y CA -1.372 56.953 58.100 0.375 0.000 1.100 862 Y CB 2.081 40.663 38.460 0.203 0.000 1.179 862 Y HN 0.336 nan 8.280 nan 0.000 0.454 863 A N 0.946 123.785 122.820 0.032 0.000 2.515 863 A HA 0.619 4.939 4.320 -0.000 0.000 0.298 863 A C 1.008 178.436 177.584 -0.259 0.000 1.059 863 A CA -0.199 51.607 52.037 -0.386 0.000 0.698 863 A CB 1.062 19.242 19.000 -1.367 0.000 1.289 863 A HN 0.844 nan 8.150 nan 0.000 0.404 864 G N 0.457 109.145 108.800 -0.186 0.000 2.485 864 G HA2 0.244 4.204 3.960 -0.000 0.000 0.221 864 G HA3 0.244 4.204 3.960 -0.000 0.000 0.221 864 G C 0.560 175.391 174.900 -0.116 0.000 1.115 864 G CA 1.569 46.602 45.100 -0.111 0.000 0.751 864 G HN 2.125 nan 8.290 nan 0.000 0.567 865 S N -2.487 113.071 115.700 -0.236 0.000 2.606 865 S HA 0.309 4.779 4.470 -0.000 0.000 0.290 865 S C -1.776 172.676 174.600 -0.245 0.000 1.103 865 S CA -1.137 56.976 58.200 -0.145 0.000 0.870 865 S CB 0.028 63.214 63.200 -0.023 0.000 1.077 865 S HN 0.248 nan 8.310 nan 0.000 0.448 866 W N 2.539 123.852 121.300 0.021 0.000 2.283 866 W HA 0.509 5.169 4.660 -0.000 0.000 0.317 866 W C -0.194 176.305 176.519 -0.034 0.000 1.042 866 W CA -0.533 56.792 57.345 -0.032 0.000 1.348 866 W CB 0.773 30.175 29.460 -0.096 0.000 1.216 866 W HN 0.545 nan 8.180 nan 0.000 0.404 867 N N 4.433 123.212 118.700 0.133 0.000 2.469 867 N HA 0.350 5.090 4.740 -0.000 0.000 0.253 867 N C -1.140 174.400 175.510 0.050 0.000 0.970 867 N CA -0.595 52.500 53.050 0.075 0.000 0.940 867 N CB 1.765 40.276 38.487 0.041 0.000 1.128 867 N HN 0.147 nan 8.380 nan 0.000 0.503 868 L N 2.175 123.418 121.223 0.033 0.000 2.307 868 L HA 0.429 4.769 4.340 -0.000 0.000 0.282 868 L C 0.447 177.318 176.870 0.003 0.000 1.051 868 L CA -0.013 54.831 54.840 0.006 0.000 0.804 868 L CB 0.757 42.806 42.059 -0.017 0.000 1.197 868 L HN 0.291 nan 8.230 nan 0.000 0.431 869 K N 1.451 121.848 120.400 -0.004 0.000 2.469 869 K HA 0.838 5.158 4.320 -0.000 0.000 0.254 869 K C -0.517 176.076 176.600 -0.011 0.000 0.939 869 K CA -0.865 55.419 56.287 -0.005 0.000 0.812 869 K CB 2.215 34.713 32.500 -0.003 0.000 1.301 869 K HN 0.755 nan 8.250 nan 0.000 0.433 870 G N 1.701 110.494 108.800 -0.010 0.000 2.705 870 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 870 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 870 G C -0.323 174.568 174.900 -0.016 0.000 1.285 870 G CA -0.645 44.447 45.100 -0.013 0.000 0.800 870 G HN 0.697 nan 8.290 nan 0.000 0.611 871 D N 0.098 120.489 120.400 -0.016 0.000 2.264 871 D HA 0.004 4.644 4.640 -0.000 0.000 0.208 871 D C 1.653 177.939 176.300 -0.022 0.000 0.966 871 D CA 1.381 55.370 54.000 -0.017 0.000 0.864 871 D CB 0.176 40.967 40.800 -0.014 0.000 0.933 871 D HN 0.478 nan 8.370 nan 0.000 0.499 872 D N -0.217 120.169 120.400 -0.024 0.000 2.369 872 D HA 0.151 4.791 4.640 -0.000 0.000 0.211 872 D C 0.520 176.799 176.300 -0.034 0.000 1.077 872 D CA -0.032 53.951 54.000 -0.028 0.000 0.842 872 D CB 0.200 40.984 40.800 -0.026 0.000 0.947 872 D HN 0.014 nan 8.370 nan 0.000 0.509 873 A N 1.248 124.047 122.820 -0.034 0.000 2.498 873 A HA 0.373 4.693 4.320 -0.000 0.000 0.239 873 A C 0.369 177.919 177.584 -0.055 0.000 1.068 873 A CA 0.287 52.300 52.037 -0.041 0.000 0.766 873 A CB 0.287 19.266 19.000 -0.034 0.000 1.003 873 A HN 0.081 nan 8.150 nan 0.000 0.497 874 R N 0.346 120.805 120.500 -0.068 0.000 2.604 874 R HA 0.562 4.902 4.340 -0.000 0.000 0.270 874 R C -1.909 174.320 176.300 -0.118 0.000 1.052 874 R CA -0.812 55.233 56.100 -0.092 0.000 0.902 874 R CB 1.747 31.997 30.300 -0.084 0.000 1.233 874 R HN 0.550 nan 8.270 nan 0.000 0.455 875 L N 2.573 123.697 121.223 -0.165 0.000 2.415 875 L HA 0.447 4.787 4.340 -0.000 0.000 0.268 875 L C -1.461 175.254 176.870 -0.258 0.000 0.984 875 L CA -0.366 54.336 54.840 -0.230 0.000 0.853 875 L CB 1.557 43.438 42.059 -0.296 0.000 1.215 875 L HN 0.546 nan 8.230 nan 0.000 0.419 876 N N 5.097 123.661 118.700 -0.226 0.000 2.501 876 N HA 0.311 5.051 4.740 -0.000 0.000 0.245 876 N C -0.975 174.388 175.510 -0.244 0.000 0.974 876 N CA -0.411 52.512 53.050 -0.212 0.000 0.941 876 N CB 2.369 40.764 38.487 -0.152 0.000 1.122 876 N HN 0.325 nan 8.380 nan 0.000 0.507 877 V N 1.667 121.406 119.914 -0.293 0.000 2.368 877 V HA 0.330 4.450 4.120 -0.000 0.000 0.266 877 V C 1.285 177.260 176.094 -0.199 0.000 1.045 877 V CA -0.614 61.514 62.300 -0.286 0.000 0.899 877 V CB 0.737 32.335 31.823 -0.376 0.000 1.006 877 V HN 0.666 nan 8.190 nan 0.000 0.470 878 G N 6.391 115.101 108.800 -0.149 0.000 2.616 878 G HA2 0.482 4.442 3.960 -0.000 0.000 0.268 878 G HA3 0.482 4.442 3.960 -0.000 0.000 0.268 878 G C -2.651 172.172 174.900 -0.128 0.000 1.213 878 G CA -1.304 43.722 45.100 -0.123 0.000 0.926 878 G HN 0.552 nan 8.290 nan 0.000 0.523 879 P HA 0.032 nan 4.420 nan 0.000 0.269 879 P C -0.786 176.384 177.300 -0.217 0.000 1.211 879 P CA 0.406 63.306 63.100 -0.335 0.000 0.781 879 P CB 0.019 31.459 31.700 -0.433 0.000 0.877 880 Y N -2.486 117.702 120.300 -0.186 0.000 4.177 880 Y HA -0.218 4.332 4.550 -0.000 0.000 0.227 880 Y C 0.724 176.607 175.900 -0.029 0.000 1.154 880 Y CA 1.038 58.877 58.100 -0.436 0.000 1.887 880 Y CB -2.543 35.667 38.460 -0.417 0.000 1.594 880 Y HN 0.291 nan 8.280 nan 0.000 0.668 881 S N 0.145 115.995 115.700 0.249 0.000 2.462 881 S HA 0.674 5.144 4.470 -0.000 0.000 0.294 881 S C -0.129 174.735 174.600 0.440 0.000 1.144 881 S CA -0.783 57.611 58.200 0.324 0.000 1.088 881 S CB 0.890 64.156 63.200 0.109 0.000 1.009 881 S HN 0.273 nan 8.310 nan 0.000 0.484 882 M N 5.988 125.776 119.600 0.313 0.000 2.289 882 M HA 0.445 4.925 4.480 -0.000 0.000 0.354 882 M C -1.103 175.379 176.300 0.302 0.000 1.210 882 M CA -0.626 54.733 55.300 0.098 0.000 1.174 882 M CB 0.268 32.815 32.600 -0.088 0.000 1.297 882 M HN 0.667 nan 8.290 nan 0.000 0.423 883 L N 3.146 124.513 121.223 0.241 0.000 2.371 883 L HA 0.664 5.004 4.340 -0.000 0.000 0.272 883 L C -0.366 176.774 176.870 0.451 0.000 1.124 883 L CA 0.563 55.577 54.840 0.289 0.000 0.816 883 L CB 1.332 43.355 42.059 -0.060 0.000 1.129 883 L HN 0.699 nan 8.230 nan 0.000 0.448 884 S N 2.880 118.885 115.700 0.508 0.000 2.536 884 S HA 0.874 5.344 4.470 -0.000 0.000 0.271 884 S C -0.705 174.172 174.600 0.461 0.000 1.134 884 S CA 0.154 58.537 58.200 0.305 0.000 0.897 884 S CB 1.097 64.047 63.200 -0.417 0.000 1.094 884 S HN 1.539 nan 8.310 nan 0.000 0.473 885 G N 3.410 112.454 108.800 0.407 0.000 2.640 885 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.686 885 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.686 885 G C -1.449 173.823 174.900 0.619 0.000 1.229 885 G CA -1.151 44.181 45.100 0.388 0.000 0.796 885 G HN 0.779 nan 8.290 nan 0.000 0.654 886 N N -0.211 118.725 118.700 0.394 0.000 2.492 886 N HA 0.315 5.055 4.740 -0.000 0.000 0.262 886 N C 0.632 176.430 175.510 0.479 0.000 1.202 886 N CA 0.097 53.404 53.050 0.429 0.000 0.926 886 N CB 0.719 39.347 38.487 0.236 0.000 1.078 886 N HN 0.530 nan 8.380 nan 0.000 0.454 887 I N 2.275 123.143 120.570 0.496 0.000 2.304 887 I HA 0.157 4.327 4.170 -0.000 0.000 0.291 887 I C -0.042 176.185 176.117 0.183 0.000 1.018 887 I CA -0.497 60.946 61.300 0.239 0.000 1.260 887 I CB 0.516 38.471 38.000 -0.076 0.000 1.390 887 I HN 0.186 nan 8.210 nan 0.000 0.475 888 N N 6.433 125.215 118.700 0.138 0.000 2.392 888 N HA 0.465 5.205 4.740 -0.000 0.000 0.283 888 N C -0.950 174.593 175.510 0.055 0.000 1.003 888 N CA -0.366 52.741 53.050 0.095 0.000 0.892 888 N CB 2.769 41.307 38.487 0.085 0.000 1.193 888 N HN 0.168 nan 8.380 nan 0.000 0.487 889 V N 1.995 121.932 119.914 0.039 0.000 2.540 889 V HA 0.349 4.469 4.120 -0.000 0.000 0.302 889 V C -0.003 176.102 176.094 0.018 0.000 1.035 889 V CA -0.817 61.493 62.300 0.017 0.000 0.873 889 V CB 2.006 33.829 31.823 -0.001 0.000 0.992 889 V HN 0.502 nan 8.190 nan 0.000 0.428 890 Q N 2.589 122.396 119.800 0.012 0.000 2.222 890 Q HA 0.456 4.796 4.340 -0.000 0.000 0.252 890 Q C -0.689 175.313 176.000 0.002 0.000 0.926 890 Q CA -0.459 55.350 55.803 0.009 0.000 0.899 890 Q CB 1.371 30.113 28.738 0.008 0.000 1.250 890 Q HN 0.888 nan 8.270 nan 0.000 0.441 891 D N 0.754 121.156 120.400 0.003 0.000 4.658 891 D HA -0.190 4.450 4.640 -0.000 0.000 0.304 891 D C -0.543 175.754 176.300 -0.005 0.000 2.363 891 D CA 0.610 54.609 54.000 -0.001 0.000 1.179 891 D CB -0.062 40.735 40.800 -0.005 0.000 1.091 891 D HN 0.584 nan 8.370 nan 0.000 1.274 892 K N 0.986 121.381 120.400 -0.008 0.000 2.745 892 K HA 0.312 4.632 4.320 -0.000 0.000 0.223 892 K C 1.106 177.694 176.600 -0.021 0.000 1.057 892 K CA 0.215 56.495 56.287 -0.012 0.000 1.217 892 K CB 0.057 32.551 32.500 -0.009 0.000 0.993 892 K HN 0.397 nan 8.250 nan 0.000 0.478 893 G N 0.681 109.465 108.800 -0.025 0.000 2.785 893 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.256 893 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.256 893 G C -0.359 174.511 174.900 -0.051 0.000 1.248 893 G CA -0.058 45.019 45.100 -0.039 0.000 0.914 893 G HN 0.162 nan 8.290 nan 0.000 0.580 894 T N -0.456 114.056 114.554 -0.071 0.000 2.937 894 T HA 0.438 4.788 4.350 -0.000 0.000 0.297 894 T C -0.545 174.077 174.700 -0.129 0.000 0.991 894 T CA -0.347 61.701 62.100 -0.087 0.000 0.990 894 T CB 1.760 70.582 68.868 -0.077 0.000 0.991 894 T HN 0.383 nan 8.240 nan 0.000 0.440 895 V N 3.629 123.447 119.914 -0.160 0.000 2.417 895 V HA 0.635 4.755 4.120 -0.000 0.000 0.291 895 V C 0.006 175.963 176.094 -0.229 0.000 1.024 895 V CA -0.590 61.567 62.300 -0.239 0.000 0.861 895 V CB 1.771 33.403 31.823 -0.318 0.000 0.985 895 V HN 0.998 nan 8.190 nan 0.000 0.436 896 T N 6.411 120.820 114.554 -0.242 0.000 2.840 896 T HA 0.613 4.963 4.350 -0.000 0.000 0.287 896 T C -0.527 174.021 174.700 -0.254 0.000 0.991 896 T CA -0.396 61.578 62.100 -0.209 0.000 0.964 896 T CB 0.967 69.740 68.868 -0.158 0.000 0.954 896 T HN 0.371 nan 8.240 nan 0.000 0.438 897 L N 2.540 123.613 121.223 -0.250 0.000 2.317 897 L HA 0.830 5.170 4.340 -0.000 0.000 0.281 897 L C 0.835 177.606 176.870 -0.166 0.000 1.024 897 L CA -0.756 53.939 54.840 -0.242 0.000 0.810 897 L CB 1.111 43.011 42.059 -0.266 0.000 1.240 897 L HN 0.971 nan 8.230 nan 0.000 0.427 898 G N 1.422 110.128 108.800 -0.158 0.000 2.692 898 G HA2 0.336 4.296 3.960 -0.000 0.000 0.686 898 G HA3 0.336 4.296 3.960 -0.000 0.000 0.686 898 G C -0.463 174.361 174.900 -0.127 0.000 1.243 898 G CA -0.492 44.525 45.100 -0.138 0.000 0.782 898 G HN 1.193 nan 8.290 nan 0.000 0.625 899 G N -0.356 108.370 108.800 -0.125 0.000 2.356 899 G HA2 0.671 4.631 3.960 -0.000 0.000 0.294 899 G HA3 0.671 4.631 3.960 -0.000 0.000 0.294 899 G C -0.731 174.111 174.900 -0.097 0.000 1.423 899 G CA 0.243 45.283 45.100 -0.099 0.000 0.806 899 G HN 1.061 nan 8.290 nan 0.000 0.527 900 E N -0.974 119.182 120.200 -0.074 0.000 2.418 900 E HA 0.516 4.866 4.350 -0.000 0.000 0.261 900 E C 0.512 177.059 176.600 -0.089 0.000 1.070 900 E CA 1.591 57.953 56.400 -0.065 0.000 0.931 900 E CB 0.896 30.567 29.700 -0.048 0.000 0.954 900 E HN 1.750 nan 8.360 nan 0.000 0.439 901 G N 2.398 111.151 108.800 -0.079 0.000 2.301 901 G HA2 0.196 4.155 3.960 -0.000 0.000 0.290 901 G HA3 0.196 4.155 3.960 -0.000 0.000 0.290 901 G C -1.611 173.300 174.900 0.019 0.000 1.669 901 G CA -0.929 44.109 45.100 -0.103 0.000 0.945 901 G HN 0.326 nan 8.290 nan 0.000 0.710 902 E N 0.929 121.127 120.200 -0.002 0.000 2.212 902 E HA 0.584 4.934 4.350 -0.000 0.000 0.268 902 E C 0.697 177.278 176.600 -0.032 0.000 0.902 902 E CA -0.846 55.602 56.400 0.081 0.000 0.779 902 E CB 2.097 31.889 29.700 0.154 0.000 1.172 902 E HN 0.548 nan 8.360 nan 0.000 0.409 903 L N 0.850 121.943 121.223 -0.218 0.000 2.492 903 L HA 0.021 4.361 4.340 -0.000 0.000 0.280 903 L C 1.092 177.839 176.870 -0.204 0.000 1.240 903 L CA 0.249 54.879 54.840 -0.350 0.000 0.831 903 L CB 0.141 41.798 42.059 -0.671 0.000 1.100 903 L HN 0.380 nan 8.230 nan 0.000 0.505 904 S N 1.328 116.918 115.700 -0.184 0.000 2.549 904 S HA 0.095 4.565 4.470 -0.000 0.000 0.286 904 S C -1.321 173.193 174.600 -0.145 0.000 1.314 904 S CA -1.155 56.970 58.200 -0.125 0.000 1.062 904 S CB 0.892 64.028 63.200 -0.106 0.000 0.865 904 S HN 0.372 nan 8.310 nan 0.000 0.498 905 P HA -0.098 nan 4.420 nan 0.000 0.216 905 P C -0.357 176.885 177.300 -0.097 0.000 1.157 905 P CA 1.189 64.230 63.100 -0.098 0.000 0.880 905 P CB -0.054 31.605 31.700 -0.067 0.000 0.791 906 D N 0.272 120.624 120.400 -0.080 0.000 2.313 906 D HA 0.242 4.882 4.640 -0.000 0.000 0.239 906 D C -0.165 176.088 176.300 -0.079 0.000 1.142 906 D CA -0.075 53.884 54.000 -0.069 0.000 0.847 906 D CB 1.294 42.066 40.800 -0.047 0.000 1.082 906 D HN 0.116 nan 8.370 nan 0.000 0.480 907 L N 1.354 122.529 121.223 -0.080 0.000 2.362 907 L HA 0.297 4.637 4.340 -0.000 0.000 0.271 907 L C 0.908 177.753 176.870 -0.042 0.000 1.002 907 L CA -0.882 53.911 54.840 -0.078 0.000 0.818 907 L CB 2.178 44.168 42.059 -0.115 0.000 1.298 907 L HN 0.277 nan 8.230 nan 0.000 0.420 908 T N 0.869 115.407 114.554 -0.026 0.000 2.589 908 T HA -0.016 4.334 4.350 -0.000 0.000 0.342 908 T C 1.042 175.744 174.700 0.003 0.000 1.044 908 T CA -0.114 61.982 62.100 -0.006 0.000 1.020 908 T CB 0.518 69.389 68.868 0.005 0.000 1.070 908 T HN 0.372 nan 8.240 nan 0.000 0.524 909 L N 0.752 121.984 121.223 0.015 0.000 2.068 909 L HA -0.042 4.298 4.340 -0.000 0.000 0.204 909 L C 2.748 179.642 176.870 0.039 0.000 1.076 909 L CA 1.585 56.441 54.840 0.026 0.000 0.753 909 L CB -0.728 41.346 42.059 0.026 0.000 0.910 909 L HN 0.716 nan 8.230 nan 0.000 0.439 910 Q N -1.839 117.986 119.800 0.041 0.000 2.364 910 Q HA -0.116 4.224 4.340 -0.000 0.000 0.207 910 Q C 1.611 177.649 176.000 0.064 0.000 0.970 910 Q CA 1.218 57.057 55.803 0.059 0.000 0.888 910 Q CB -0.424 28.353 28.738 0.065 0.000 0.951 910 Q HN 0.383 nan 8.270 nan 0.000 0.469 911 N N 1.188 119.912 118.700 0.040 0.000 2.135 911 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 911 N C 1.617 177.159 175.510 0.054 0.000 1.027 911 N CA 1.259 54.325 53.050 0.026 0.000 0.849 911 N CB -0.104 38.371 38.487 -0.020 0.000 1.002 911 N HN 0.340 nan 8.380 nan 0.000 0.425 912 Q N 0.073 119.906 119.800 0.055 0.000 2.084 912 Q HA 0.047 4.387 4.340 -0.000 0.000 0.202 912 Q C 2.064 178.151 176.000 0.144 0.000 0.978 912 Q CA 1.233 57.103 55.803 0.111 0.000 0.844 912 Q CB -0.034 28.751 28.738 0.078 0.000 0.898 912 Q HN 0.333 nan 8.270 nan 0.000 0.426 913 M N -0.500 119.160 119.600 0.100 0.000 2.149 913 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 913 M C 1.848 178.215 176.300 0.111 0.000 1.064 913 M CA 1.010 56.366 55.300 0.092 0.000 1.102 913 M CB -0.075 32.570 32.600 0.075 0.000 1.369 913 M HN 0.240 nan 8.290 nan 0.000 0.408 914 L N -1.012 120.288 121.223 0.128 0.000 2.044 914 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 914 L C 2.255 179.307 176.870 0.305 0.000 1.075 914 L CA 1.672 56.600 54.840 0.148 0.000 0.747 914 L CB -0.953 41.147 42.059 0.069 0.000 0.903 914 L HN 0.256 nan 8.230 nan 0.000 0.435 915 Y N -0.213 120.158 120.300 0.118 0.000 2.173 915 Y HA -0.332 4.218 4.550 -0.000 0.000 0.282 915 Y C 2.555 178.571 175.900 0.193 0.000 1.192 915 Y CA 1.844 60.004 58.100 0.101 0.000 1.176 915 Y CB -0.650 37.777 38.460 -0.056 0.000 0.969 915 Y HN 0.225 nan 8.280 nan 0.000 0.519 916 S N -0.296 115.454 115.700 0.083 0.000 2.461 916 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 916 S C 1.864 176.458 174.600 -0.010 0.000 1.005 916 S CA 0.789 58.955 58.200 -0.058 0.000 0.942 916 S CB -0.262 62.935 63.200 -0.005 0.000 0.776 916 S HN 0.458 nan 8.310 nan 0.000 0.514 917 L N -0.163 121.094 121.223 0.057 0.000 2.551 917 L HA 0.085 4.425 4.340 -0.000 0.000 0.228 917 L C 1.205 178.048 176.870 -0.044 0.000 1.153 917 L CA 0.707 55.540 54.840 -0.010 0.000 0.851 917 L CB -0.422 41.616 42.059 -0.034 0.000 0.959 917 L HN 0.308 nan 8.230 nan 0.000 0.451 918 F N -0.333 119.594 119.950 -0.038 0.000 2.710 918 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 918 F C 1.205 177.001 175.800 -0.007 0.000 1.137 918 F CA 0.053 58.065 58.000 0.020 0.000 1.444 918 F CB -0.104 38.939 39.000 0.072 0.000 1.111 918 F HN 0.135 nan 8.300 nan 0.000 0.580 919 N N 0.784 119.503 118.700 0.032 0.000 2.727 919 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 919 N C 1.095 176.464 175.510 -0.235 0.000 1.048 919 N CA 0.950 53.946 53.050 -0.090 0.000 0.714 919 N CB -1.171 37.289 38.487 -0.044 0.000 0.959 919 N HN 0.584 nan 8.380 nan 0.000 0.544 920 G N -2.265 106.414 108.800 -0.203 0.000 2.304 920 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.252 920 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.252 920 G C 0.033 174.699 174.900 -0.389 0.000 1.014 920 G CA 0.519 45.480 45.100 -0.231 0.000 0.619 920 G HN 0.445 nan 8.290 nan 0.000 0.525 921 Y N 0.994 121.264 120.300 -0.049 0.000 2.425 921 Y HA 0.508 5.058 4.550 -0.000 0.000 0.331 921 Y C 1.920 177.782 175.900 -0.064 0.000 1.157 921 Y CA -0.178 57.852 58.100 -0.117 0.000 1.372 921 Y CB 0.503 39.000 38.460 0.061 0.000 1.253 921 Y HN 0.090 nan 8.280 nan 0.000 0.536 922 R N 1.266 121.714 120.500 -0.087 0.000 2.285 922 R HA -0.041 4.299 4.340 -0.000 0.000 0.213 922 R C -0.454 175.733 176.300 -0.188 0.000 1.068 922 R CA 0.780 56.664 56.100 -0.359 0.000 1.004 922 R CB -0.156 29.875 30.300 -0.449 0.000 0.873 922 R HN 0.719 nan 8.270 nan 0.000 0.467 923 N N -0.899 117.885 118.700 0.140 0.000 2.446 923 N HA 0.277 5.017 4.740 -0.000 0.000 0.272 923 N C -1.766 173.855 175.510 0.186 0.000 1.127 923 N CA -0.516 52.667 53.050 0.222 0.000 0.896 923 N CB 2.035 40.537 38.487 0.026 0.000 1.658 923 N HN -0.187 nan 8.380 nan 0.000 0.483 924 I N 0.997 121.650 120.570 0.138 0.000 2.569 924 I HA 0.503 4.673 4.170 -0.000 0.000 0.296 924 I C -1.005 175.198 176.117 0.144 0.000 1.028 924 I CA -0.617 60.696 61.300 0.022 0.000 1.082 924 I CB 1.380 39.282 38.000 -0.164 0.000 1.264 924 I HN 0.656 nan 8.210 nan 0.000 0.429 925 W N 5.025 126.294 121.300 -0.051 0.000 2.957 925 W HA 0.579 5.239 4.660 -0.000 0.000 0.336 925 W C -1.299 175.279 176.519 0.097 0.000 1.087 925 W CA -0.997 56.332 57.345 -0.026 0.000 1.235 925 W CB 1.899 31.259 29.460 -0.167 0.000 1.399 925 W HN 0.362 nan 8.180 nan 0.000 0.480 926 S N 3.617 119.325 115.700 0.013 0.000 2.474 926 S HA 0.872 5.342 4.470 -0.000 0.000 0.321 926 S C -0.015 174.356 174.600 -0.381 0.000 1.080 926 S CA 0.134 58.180 58.200 -0.257 0.000 1.106 926 S CB 0.929 64.080 63.200 -0.082 0.000 0.984 926 S HN 0.941 nan 8.310 nan 0.000 0.464 927 G N 1.764 110.194 108.800 -0.617 0.000 2.320 927 G HA2 0.349 4.309 3.960 -0.000 0.000 0.297 927 G HA3 0.349 4.309 3.960 -0.000 0.000 0.297 927 G C -1.470 173.297 174.900 -0.222 0.000 1.344 927 G CA -0.797 44.182 45.100 -0.201 0.000 0.851 927 G HN 0.526 nan 8.290 nan 0.000 0.567 928 S N -0.586 115.144 115.700 0.051 0.000 2.508 928 S HA 0.576 5.046 4.470 -0.000 0.000 0.284 928 S C -0.386 174.400 174.600 0.310 0.000 1.192 928 S CA -0.477 57.800 58.200 0.128 0.000 1.070 928 S CB 1.592 64.849 63.200 0.095 0.000 1.004 928 S HN 0.862 nan 8.310 nan 0.000 0.493 929 L N 3.874 125.333 121.223 0.393 0.000 2.255 929 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 929 L C -0.363 176.646 176.870 0.231 0.000 1.046 929 L CA -0.150 54.920 54.840 0.384 0.000 0.816 929 L CB 0.317 42.614 42.059 0.397 0.000 1.197 929 L HN 0.561 nan 8.230 nan 0.000 0.427 930 N N 4.768 123.572 118.700 0.173 0.000 2.816 930 N HA 0.575 5.315 4.740 -0.000 0.000 0.236 930 N C -0.993 174.568 175.510 0.086 0.000 1.076 930 N CA 0.055 53.174 53.050 0.116 0.000 0.902 930 N CB 1.050 39.595 38.487 0.096 0.000 1.149 930 N HN 0.637 nan 8.380 nan 0.000 0.506 931 A N 4.386 127.253 122.820 0.077 0.000 3.365 931 A HA 0.363 4.683 4.320 -0.000 0.000 0.258 931 A C -1.703 175.907 177.584 0.043 0.000 0.964 931 A CA -0.728 51.338 52.037 0.048 0.000 0.988 931 A CB 0.710 19.730 19.000 0.034 0.000 1.193 931 A HN 0.434 nan 8.150 nan 0.000 0.508 932 P HA -0.157 nan 4.420 nan 0.000 0.218 932 P C 0.220 177.539 177.300 0.031 0.000 1.148 932 P CA 1.364 64.488 63.100 0.040 0.000 0.822 932 P CB 0.302 32.023 31.700 0.036 0.000 0.784 933 D N -0.996 119.418 120.400 0.023 0.000 2.398 933 D HA 0.217 4.857 4.640 -0.000 0.000 0.210 933 D C 0.781 177.086 176.300 0.008 0.000 1.094 933 D CA -0.055 53.954 54.000 0.015 0.000 0.839 933 D CB 0.714 41.521 40.800 0.011 0.000 0.963 933 D HN 0.130 nan 8.370 nan 0.000 0.506 934 A N 0.762 123.585 122.820 0.005 0.000 2.351 934 A HA 0.412 4.732 4.320 -0.000 0.000 0.257 934 A C 0.447 178.024 177.584 -0.011 0.000 1.087 934 A CA 0.051 52.082 52.037 -0.010 0.000 0.798 934 A CB 0.598 19.585 19.000 -0.020 0.000 1.033 934 A HN -0.077 nan 8.150 nan 0.000 0.488 935 T N 1.247 115.787 114.554 -0.025 0.000 2.799 935 T HA 0.519 4.869 4.350 -0.000 0.000 0.286 935 T C -0.458 174.211 174.700 -0.051 0.000 0.973 935 T CA -0.137 61.947 62.100 -0.026 0.000 1.035 935 T CB 0.742 69.594 68.868 -0.027 0.000 0.932 935 T HN 0.461 nan 8.240 nan 0.000 0.469 936 V N 2.586 122.472 119.914 -0.047 0.000 2.638 936 V HA 0.749 4.869 4.120 -0.000 0.000 0.306 936 V C -0.280 175.772 176.094 -0.071 0.000 1.052 936 V CA -0.762 61.487 62.300 -0.085 0.000 0.885 936 V CB 2.115 33.885 31.823 -0.088 0.000 0.999 936 V HN 0.866 nan 8.190 nan 0.000 0.424 937 S N 5.557 121.194 115.700 -0.106 0.000 2.547 937 S HA 0.887 5.357 4.470 -0.000 0.000 0.281 937 S C -1.071 173.464 174.600 -0.108 0.000 1.118 937 S CA -0.605 57.547 58.200 -0.080 0.000 0.947 937 S CB 1.302 64.459 63.200 -0.073 0.000 1.053 937 S HN 0.653 nan 8.310 nan 0.000 0.482 938 M N 2.804 122.361 119.600 -0.071 0.000 2.484 938 M HA 0.464 4.944 4.480 -0.000 0.000 0.289 938 M C -1.437 174.840 176.300 -0.037 0.000 1.206 938 M CA -0.621 54.633 55.300 -0.077 0.000 0.892 938 M CB 2.662 35.221 32.600 -0.069 0.000 1.712 938 M HN 0.585 nan 8.290 nan 0.000 0.462 939 T N 0.292 114.824 114.554 -0.037 0.000 3.032 939 T HA 0.272 4.622 4.350 -0.000 0.000 0.312 939 T C -0.981 173.730 174.700 0.019 0.000 1.078 939 T CA -0.565 61.537 62.100 0.004 0.000 1.028 939 T CB 1.376 70.239 68.868 -0.008 0.000 1.091 939 T HN 0.815 nan 8.240 nan 0.000 0.457 940 D N 1.436 121.904 120.400 0.114 0.000 2.686 940 D HA -0.124 4.516 4.640 -0.000 0.000 0.235 940 D C -0.101 176.267 176.300 0.114 0.000 1.160 940 D CA 1.217 55.330 54.000 0.189 0.000 0.645 940 D CB -0.989 39.841 40.800 0.051 0.000 1.039 940 D HN 0.503 nan 8.370 nan 0.000 0.423 941 T N 0.512 115.072 114.554 0.011 0.000 2.885 941 T HA 0.384 4.734 4.350 -0.000 0.000 0.285 941 T C 0.186 174.620 174.700 -0.443 0.000 1.019 941 T CA -0.648 61.378 62.100 -0.123 0.000 1.010 941 T CB 2.642 71.468 68.868 -0.069 0.000 1.022 941 T HN 0.086 nan 8.240 nan 0.000 0.466 942 Q N 2.071 121.525 119.800 -0.576 0.000 2.431 942 Q HA 0.237 4.577 4.340 -0.000 0.000 0.249 942 Q C -1.510 174.410 176.000 -0.133 0.000 1.025 942 Q CA -0.783 54.616 55.803 -0.673 0.000 0.835 942 Q CB 0.631 28.819 28.738 -0.917 0.000 1.207 942 Q HN 0.642 nan 8.270 nan 0.000 0.490 943 W N 4.068 125.201 121.300 -0.278 0.000 2.342 943 W HA 0.303 4.963 4.660 -0.000 0.000 0.310 943 W C -0.740 175.658 176.519 -0.202 0.000 1.128 943 W CA -1.083 56.139 57.345 -0.206 0.000 1.322 943 W CB 1.266 30.612 29.460 -0.191 0.000 1.251 943 W HN 0.482 nan 8.180 nan 0.000 0.439 944 S N 8.266 124.016 115.700 0.083 0.000 2.473 944 S HA 0.273 4.743 4.470 -0.000 0.000 0.312 944 S C 0.028 174.370 174.600 -0.431 0.000 1.087 944 S CA -0.653 57.522 58.200 -0.042 0.000 1.077 944 S CB -0.439 62.835 63.200 0.123 0.000 1.065 944 S HN 0.572 nan 8.310 nan 0.000 0.510 945 M N 5.350 124.357 119.600 -0.990 0.000 2.143 945 M HA 0.255 4.735 4.480 -0.000 0.000 0.348 945 M C -0.109 175.913 176.300 -0.465 0.000 1.375 945 M CA -0.040 54.695 55.300 -0.942 0.000 1.124 945 M CB 0.251 31.926 32.600 -1.542 0.000 1.669 945 M HN 0.569 nan 8.290 nan 0.000 0.469 946 N N 3.764 122.304 118.700 -0.266 0.000 2.276 946 N HA 0.305 5.045 4.740 -0.000 0.000 0.212 946 N C 0.045 175.499 175.510 -0.095 0.000 1.127 946 N CA 0.072 53.034 53.050 -0.146 0.000 0.834 946 N CB 0.916 39.347 38.487 -0.094 0.000 1.014 946 N HN 0.805 nan 8.380 nan 0.000 0.491 947 G N -0.243 108.494 108.800 -0.106 0.000 2.451 947 G HA2 0.083 4.043 3.960 -0.000 0.000 0.292 947 G HA3 0.083 4.043 3.960 -0.000 0.000 0.292 947 G C -1.389 173.486 174.900 -0.040 0.000 1.427 947 G CA -0.849 44.223 45.100 -0.047 0.000 0.792 947 G HN -0.088 nan 8.290 nan 0.000 0.498 948 N N 0.392 119.090 118.700 -0.005 0.000 2.412 948 N HA 0.372 5.112 4.740 -0.000 0.000 0.254 948 N C -0.132 175.399 175.510 0.035 0.000 1.232 948 N CA 0.528 53.585 53.050 0.012 0.000 0.880 948 N CB 1.198 39.698 38.487 0.022 0.000 1.076 948 N HN 0.428 nan 8.380 nan 0.000 0.458 949 S N -0.196 115.531 115.700 0.045 0.000 2.568 949 S HA 0.711 5.181 4.470 -0.000 0.000 0.293 949 S C -0.226 174.446 174.600 0.119 0.000 1.089 949 S CA -0.883 57.388 58.200 0.119 0.000 0.945 949 S CB 1.899 65.221 63.200 0.202 0.000 1.077 949 S HN 0.624 nan 8.310 nan 0.000 0.485 950 T N -0.992 113.646 114.554 0.139 0.000 2.921 950 T HA 0.858 5.208 4.350 -0.000 0.000 0.297 950 T C -0.732 174.039 174.700 0.119 0.000 1.013 950 T CA -0.823 61.343 62.100 0.111 0.000 0.990 950 T CB 1.591 70.506 68.868 0.078 0.000 1.023 950 T HN 0.777 nan 8.240 nan 0.000 0.447 951 A N 1.599 124.484 122.820 0.108 0.000 2.423 951 A HA 0.959 5.279 4.320 -0.000 0.000 0.304 951 A C 0.954 178.577 177.584 0.064 0.000 1.104 951 A CA -0.423 51.664 52.037 0.084 0.000 0.757 951 A CB 1.351 20.409 19.000 0.096 0.000 1.313 951 A HN 1.134 nan 8.150 nan 0.000 0.423 952 G N 0.209 109.035 108.800 0.044 0.000 2.572 952 G HA2 0.096 4.055 3.960 -0.000 0.000 0.214 952 G HA3 0.096 4.055 3.960 -0.000 0.000 0.214 952 G C 0.299 175.223 174.900 0.041 0.000 1.246 952 G CA 0.127 45.249 45.100 0.037 0.000 0.835 952 G HN 0.705 nan 8.290 nan 0.000 0.551 953 N N 0.329 119.048 118.700 0.032 0.000 2.392 953 N HA 0.462 5.202 4.740 -0.000 0.000 0.283 953 N C -1.382 174.151 175.510 0.038 0.000 1.003 953 N CA -0.233 52.838 53.050 0.035 0.000 0.892 953 N CB 2.292 40.792 38.487 0.022 0.000 1.193 953 N HN 0.186 nan 8.380 nan 0.000 0.487 954 M N 1.891 121.528 119.600 0.060 0.000 2.321 954 M HA 0.311 4.791 4.480 -0.000 0.000 0.315 954 M C -1.374 174.966 176.300 0.067 0.000 1.052 954 M CA -0.605 54.737 55.300 0.070 0.000 0.936 954 M CB 1.759 34.433 32.600 0.123 0.000 1.639 954 M HN 0.242 nan 8.290 nan 0.000 0.433 955 K N 5.845 126.270 120.400 0.040 0.000 2.450 955 K HA 0.591 4.911 4.320 -0.000 0.000 0.257 955 K C -1.870 174.749 176.600 0.031 0.000 0.953 955 K CA -0.512 55.796 56.287 0.034 0.000 0.844 955 K CB 1.200 33.708 32.500 0.012 0.000 1.103 955 K HN 0.760 nan 8.250 nan 0.000 0.429 956 L N 3.451 124.703 121.223 0.048 0.000 2.329 956 L HA 0.469 4.809 4.340 -0.000 0.000 0.279 956 L C -0.345 176.540 176.870 0.025 0.000 1.014 956 L CA -0.809 54.051 54.840 0.034 0.000 0.814 956 L CB 1.715 43.796 42.059 0.036 0.000 1.257 956 L HN 0.654 nan 8.230 nan 0.000 0.424 957 N N 2.991 121.710 118.700 0.032 0.000 2.461 957 N HA 0.300 5.040 4.740 -0.000 0.000 0.284 957 N C -0.609 174.980 175.510 0.131 0.000 1.049 957 N CA -0.673 52.410 53.050 0.054 0.000 0.889 957 N CB 0.973 39.482 38.487 0.038 0.000 1.365 957 N HN 0.587 nan 8.380 nan 0.000 0.499 958 R N 0.334 120.961 120.500 0.212 0.000 3.405 958 R HA -0.180 4.160 4.340 -0.000 0.000 0.258 958 R C -0.365 176.220 176.300 0.476 0.000 1.030 958 R CA 1.027 57.395 56.100 0.447 0.000 0.691 958 R CB -2.277 28.255 30.300 0.386 0.000 1.093 958 R HN 0.643 nan 8.270 nan 0.000 0.448 959 T N -1.548 113.126 114.554 0.200 0.000 2.926 959 T HA 0.778 5.128 4.350 -0.000 0.000 0.289 959 T C -0.348 174.043 174.700 -0.515 0.000 1.054 959 T CA -0.947 61.059 62.100 -0.156 0.000 1.015 959 T CB 2.321 71.134 68.868 -0.093 0.000 1.167 959 T HN 0.276 nan 8.240 nan 0.000 0.526 960 I N 2.346 122.499 120.570 -0.695 0.000 2.534 960 I HA 0.624 4.794 4.170 -0.000 0.000 0.288 960 I C -1.563 174.248 176.117 -0.509 0.000 1.077 960 I CA -0.939 59.918 61.300 -0.739 0.000 1.051 960 I CB 1.835 39.220 38.000 -1.024 0.000 1.234 960 I HN 0.540 nan 8.210 nan 0.000 0.425 961 V N 6.148 125.724 119.914 -0.563 0.000 2.459 961 V HA 0.754 4.874 4.120 -0.000 0.000 0.295 961 V C 0.352 176.014 176.094 -0.719 0.000 1.029 961 V CA -0.484 61.444 62.300 -0.621 0.000 0.874 961 V CB 1.518 32.925 31.823 -0.693 0.000 0.985 961 V HN 0.855 nan 8.190 nan 0.000 0.438 962 G N 3.130 111.275 108.800 -1.092 0.000 2.626 962 G HA2 0.657 4.617 3.960 -0.000 0.000 0.304 962 G HA3 0.657 4.617 3.960 -0.000 0.000 0.304 962 G C -1.058 173.189 174.900 -1.088 0.000 1.385 962 G CA -0.411 43.769 45.100 -1.532 0.000 0.957 962 G HN 0.340 nan 8.290 nan 0.000 0.504 963 F N 1.048 120.557 119.950 -0.735 0.000 2.443 963 F HA 0.358 4.885 4.527 -0.000 0.000 0.353 963 F C 1.090 176.653 175.800 -0.394 0.000 1.101 963 F CA -0.795 56.903 58.000 -0.504 0.000 1.226 963 F CB 1.804 40.594 39.000 -0.350 0.000 1.140 963 F HN 0.506 nan 8.300 nan 0.000 0.557 964 N N 0.001 118.614 118.700 -0.146 0.000 2.286 964 N HA 0.215 4.955 4.740 -0.000 0.000 0.245 964 N C 0.469 175.944 175.510 -0.059 0.000 1.363 964 N CA 0.061 53.063 53.050 -0.081 0.000 0.822 964 N CB 0.259 38.709 38.487 -0.062 0.000 1.345 964 N HN 0.720 nan 8.380 nan 0.000 0.494 965 G N -1.018 107.751 108.800 -0.052 0.000 2.679 965 G HA2 0.511 4.471 3.960 -0.000 0.000 0.202 965 G HA3 0.511 4.471 3.960 -0.000 0.000 0.202 965 G C 0.323 175.211 174.900 -0.020 0.000 1.566 965 G CA 0.063 45.144 45.100 -0.032 0.000 1.074 965 G HN 0.194 nan 8.290 nan 0.000 0.564 972 T N 0.823 115.430 114.554 0.089 0.000 2.876 972 T HA 0.707 5.057 4.350 -0.000 0.000 0.289 972 T C -0.861 173.908 174.700 0.115 0.000 1.014 972 T CA -1.002 61.175 62.100 0.129 0.000 0.986 972 T CB 1.692 70.586 68.868 0.042 0.000 1.021 972 T HN 0.992 nan 8.240 nan 0.000 0.458 973 L N 2.799 124.123 121.223 0.169 0.000 2.262 973 L HA 0.595 4.935 4.340 -0.000 0.000 0.288 973 L C -0.419 176.491 176.870 0.066 0.000 1.035 973 L CA 0.054 54.929 54.840 0.059 0.000 0.820 973 L CB 0.937 42.971 42.059 -0.042 0.000 1.204 973 L HN 0.911 nan 8.230 nan 0.000 0.424 974 T N 3.440 118.032 114.554 0.063 0.000 2.756 974 T HA 0.608 4.958 4.350 -0.000 0.000 0.290 974 T C 0.000 174.742 174.700 0.069 0.000 0.985 974 T CA -0.443 61.688 62.100 0.052 0.000 0.955 974 T CB 0.831 69.726 68.868 0.044 0.000 0.930 974 T HN 0.746 nan 8.240 nan 0.000 0.451 975 T N -0.088 114.506 114.554 0.067 0.000 2.908 975 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 975 T C 0.279 175.016 174.700 0.063 0.000 1.034 975 T CA -0.887 61.260 62.100 0.078 0.000 1.010 975 T CB 1.980 70.908 68.868 0.101 0.000 1.068 975 T HN 0.169 nan 8.240 nan 0.000 0.481 976 D N 0.857 121.292 120.400 0.058 0.000 2.106 976 D HA 0.065 4.705 4.640 -0.000 0.000 0.203 976 D C 0.252 176.587 176.300 0.059 0.000 0.977 976 D CA 1.143 55.174 54.000 0.052 0.000 0.844 976 D CB 0.057 40.882 40.800 0.042 0.000 1.002 976 D HN 0.522 nan 8.370 nan 0.000 0.461 977 N N 0.398 119.135 118.700 0.060 0.000 2.362 977 N HA 0.411 5.151 4.740 -0.000 0.000 0.298 977 N C -1.097 174.461 175.510 0.080 0.000 1.048 977 N CA -0.508 52.581 53.050 0.065 0.000 0.858 977 N CB 2.745 41.263 38.487 0.051 0.000 1.218 977 N HN 0.002 nan 8.380 nan 0.000 0.488 978 L N 1.455 122.734 121.223 0.092 0.000 2.409 978 L HA 0.440 4.780 4.340 -0.000 0.000 0.272 978 L C -1.310 175.614 176.870 0.090 0.000 0.980 978 L CA -0.442 54.468 54.840 0.116 0.000 0.826 978 L CB 1.715 43.874 42.059 0.165 0.000 1.268 978 L HN 0.408 nan 8.230 nan 0.000 0.407 979 D N 4.430 124.876 120.400 0.077 0.000 2.420 979 D HA 0.631 5.271 4.640 -0.000 0.000 0.255 979 D C -1.324 174.999 176.300 0.038 0.000 1.185 979 D CA -0.066 53.960 54.000 0.043 0.000 0.904 979 D CB 1.621 42.441 40.800 0.034 0.000 1.102 979 D HN 0.695 nan 8.370 nan 0.000 0.534 980 A N 3.204 126.034 122.820 0.015 0.000 2.304 980 A HA 0.667 4.987 4.320 -0.000 0.000 0.314 980 A C -0.841 176.679 177.584 -0.106 0.000 1.187 980 A CA -0.579 51.467 52.037 0.015 0.000 0.810 980 A CB 1.262 20.345 19.000 0.138 0.000 1.183 980 A HN 0.318 nan 8.150 nan 0.000 0.487 981 V N 2.868 122.703 119.914 -0.130 0.000 2.604 981 V HA 0.279 4.399 4.120 -0.000 0.000 0.305 981 V C 0.327 176.319 176.094 -0.169 0.000 1.043 981 V CA -0.498 61.609 62.300 -0.322 0.000 0.888 981 V CB 1.548 33.181 31.823 -0.316 0.000 0.995 981 V HN 1.075 nan 8.190 nan 0.000 0.429 982 Q N 1.552 121.226 119.800 -0.210 0.000 2.358 982 Q HA -0.201 4.139 4.340 -0.000 0.000 0.318 982 Q C 0.278 176.334 176.000 0.094 0.000 1.243 982 Q CA 0.695 56.464 55.803 -0.058 0.000 0.949 982 Q CB -0.879 27.830 28.738 -0.049 0.000 1.224 982 Q HN 0.722 nan 8.270 nan 0.000 0.473 983 S N -0.994 114.787 115.700 0.135 0.000 2.726 983 S HA 0.915 5.385 4.470 -0.000 0.000 0.308 983 S C -0.435 174.349 174.600 0.308 0.000 1.115 983 S CA -0.357 57.997 58.200 0.257 0.000 0.965 983 S CB 2.117 65.351 63.200 0.057 0.000 1.145 983 S HN 0.460 nan 8.310 nan 0.000 0.532 984 A N 0.594 123.534 122.820 0.200 0.000 2.549 984 A HA 0.831 5.151 4.320 -0.000 0.000 0.297 984 A C -1.737 175.771 177.584 -0.126 0.000 1.061 984 A CA -0.576 51.631 52.037 0.283 0.000 0.690 984 A CB 0.733 20.121 19.000 0.647 0.000 1.287 984 A HN 0.526 nan 8.150 nan 0.000 0.402 985 F N -0.087 119.998 119.950 0.225 0.000 2.594 985 F HA 0.746 5.273 4.527 -0.000 0.000 0.335 985 F C 0.074 175.960 175.800 0.144 0.000 1.058 985 F CA -0.764 57.315 58.000 0.133 0.000 0.981 985 F CB 2.461 41.566 39.000 0.176 0.000 1.289 985 F HN 0.257 nan 8.300 nan 0.000 0.490 986 V N 3.517 123.600 119.914 0.281 0.000 2.675 986 V HA 0.262 4.382 4.120 -0.000 0.000 0.266 986 V C -0.594 175.509 176.094 0.014 0.000 0.974 986 V CA -0.655 61.708 62.300 0.104 0.000 0.890 986 V CB 0.958 32.711 31.823 -0.117 0.000 1.055 986 V HN 0.620 nan 8.190 nan 0.000 0.477 987 M N 2.355 121.871 119.600 -0.141 0.000 2.528 987 M HA 0.736 5.216 4.480 -0.000 0.000 0.318 987 M C -0.480 175.641 176.300 -0.298 0.000 1.195 987 M CA -0.662 54.397 55.300 -0.402 0.000 1.000 987 M CB 1.267 33.410 32.600 -0.763 0.000 1.615 987 M HN 0.374 nan 8.290 nan 0.000 0.469 988 R N 0.777 121.097 120.500 -0.299 0.000 2.343 988 R HA 0.589 4.929 4.340 -0.000 0.000 0.320 988 R C -0.567 175.601 176.300 -0.221 0.000 0.956 988 R CA -0.420 55.547 56.100 -0.222 0.000 0.836 988 R CB 1.467 31.679 30.300 -0.147 0.000 1.151 988 R HN 0.801 nan 8.270 nan 0.000 0.450 989 T N -0.913 113.506 114.554 -0.225 0.000 2.902 989 T HA 0.142 4.492 4.350 -0.000 0.000 0.283 989 T C 0.421 175.091 174.700 -0.049 0.000 1.009 989 T CA -0.879 61.133 62.100 -0.146 0.000 1.051 989 T CB 1.898 70.678 68.868 -0.147 0.000 0.999 989 T HN 0.353 nan 8.240 nan 0.000 0.474 990 D N 0.042 120.425 120.400 -0.028 0.000 2.277 990 D HA 0.097 4.737 4.640 -0.000 0.000 0.208 990 D C 1.662 177.987 176.300 0.041 0.000 0.962 990 D CA 0.281 54.284 54.000 0.005 0.000 0.865 990 D CB -0.257 40.538 40.800 -0.007 0.000 0.939 990 D HN 0.686 nan 8.370 nan 0.000 0.510 991 L N -0.672 120.588 121.223 0.061 0.000 3.395 991 L HA -0.377 3.963 4.340 -0.000 0.000 0.399 991 L C 1.524 178.425 176.870 0.052 0.000 0.701 991 L CA 1.484 56.379 54.840 0.091 0.000 2.975 991 L CB -1.143 40.975 42.059 0.098 0.000 0.774 991 L HN 0.180 nan 8.230 nan 0.000 0.717 992 N N 0.121 118.837 118.700 0.026 0.000 2.182 992 N HA -0.019 4.721 4.740 -0.000 0.000 0.186 992 N C 0.560 176.066 175.510 -0.007 0.000 1.036 992 N CA 1.015 54.072 53.050 0.011 0.000 0.850 992 N CB 0.405 38.896 38.487 0.006 0.000 1.010 992 N HN 0.332 nan 8.380 nan 0.000 0.432 993 K N -0.624 119.763 120.400 -0.023 0.000 2.349 993 K HA 0.759 5.079 4.320 -0.000 0.000 0.243 993 K C -1.417 175.134 176.600 -0.080 0.000 1.058 993 K CA -1.005 55.253 56.287 -0.049 0.000 0.871 993 K CB 2.184 34.655 32.500 -0.048 0.000 1.337 993 K HN 0.146 nan 8.250 nan 0.000 0.469 994 A N 0.422 123.170 122.820 -0.120 0.000 2.610 994 A HA 0.394 4.714 4.320 -0.000 0.000 0.291 994 A C -1.623 175.815 177.584 -0.242 0.000 1.086 994 A CA -0.915 51.009 52.037 -0.189 0.000 0.677 994 A CB 0.774 19.643 19.000 -0.217 0.000 1.278 994 A HN 0.675 nan 8.150 nan 0.000 0.414 995 D N 0.948 121.131 120.400 -0.361 0.000 2.478 995 D HA 0.234 4.874 4.640 -0.000 0.000 0.234 995 D C -0.219 175.726 176.300 -0.592 0.000 1.154 995 D CA 0.839 54.500 54.000 -0.564 0.000 0.874 995 D CB 0.648 40.767 40.800 -1.136 0.000 1.198 995 D HN 0.459 nan 8.370 nan 0.000 0.455 996 K N 0.954 121.065 120.400 -0.481 0.000 2.427 996 K HA 0.372 4.692 4.320 -0.000 0.000 0.252 996 K C -1.231 175.244 176.600 -0.208 0.000 0.931 996 K CA -0.867 55.221 56.287 -0.332 0.000 0.793 996 K CB 1.761 34.153 32.500 -0.181 0.000 1.211 996 K HN 0.177 nan 8.250 nan 0.000 0.426 997 L N 3.865 124.935 121.223 -0.255 0.000 2.357 997 L HA 0.546 4.886 4.340 -0.000 0.000 0.273 997 L C -1.429 175.334 176.870 -0.179 0.000 1.080 997 L CA -0.201 54.510 54.840 -0.214 0.000 0.803 997 L CB 1.730 43.469 42.059 -0.534 0.000 1.174 997 L HN 0.354 nan 8.230 nan 0.000 0.443 998 V N 6.198 126.052 119.914 -0.100 0.000 2.612 998 V HA 0.447 4.567 4.120 -0.000 0.000 0.301 998 V C -0.482 175.605 176.094 -0.011 0.000 1.059 998 V CA -0.368 61.904 62.300 -0.047 0.000 0.886 998 V CB 1.558 33.372 31.823 -0.016 0.000 1.007 998 V HN 0.613 nan 8.190 nan 0.000 0.426 999 I N 4.211 124.788 120.570 0.010 0.000 2.495 999 I HA 0.410 4.580 4.170 -0.000 0.000 0.277 999 I C 0.672 176.826 176.117 0.062 0.000 1.045 999 I CA -0.397 60.932 61.300 0.048 0.000 1.135 999 I CB 1.607 39.651 38.000 0.073 0.000 1.241 999 I HN 0.488 nan 8.210 nan 0.000 0.469 1000 N N 3.402 122.134 118.700 0.053 0.000 2.396 1000 N HA -0.062 4.677 4.740 -0.000 0.000 0.180 1000 N C 1.313 176.854 175.510 0.052 0.000 1.028 1000 N CA 1.122 54.201 53.050 0.048 0.000 0.893 1000 N CB 0.275 38.786 38.487 0.039 0.000 0.967 1000 N HN 0.487 nan 8.380 nan 0.000 0.440 1001 K N -1.564 118.871 120.400 0.059 0.000 2.567 1001 K HA 0.263 4.583 4.320 -0.000 0.000 0.199 1001 K C -0.516 176.121 176.600 0.061 0.000 1.412 1001 K CA 0.048 56.367 56.287 0.054 0.000 1.020 1001 K CB 1.015 33.541 32.500 0.045 0.000 1.487 1001 K HN -0.046 nan 8.250 nan 0.000 0.531 1002 S N -0.318 115.424 115.700 0.070 0.000 2.584 1002 S HA 0.735 5.205 4.470 -0.000 0.000 0.280 1002 S C -2.088 172.564 174.600 0.087 0.000 1.162 1002 S CA -0.482 57.762 58.200 0.073 0.000 0.951 1002 S CB 1.328 64.563 63.200 0.057 0.000 1.108 1002 S HN 0.167 nan 8.310 nan 0.000 0.464 1003 A N 3.341 126.220 122.820 0.099 0.000 2.335 1003 A HA 0.876 5.196 4.320 -0.000 0.000 0.304 1003 A C 0.062 177.681 177.584 0.059 0.000 1.118 1003 A CA -0.310 51.788 52.037 0.102 0.000 0.757 1003 A CB 1.161 20.260 19.000 0.164 0.000 1.188 1003 A HN 1.205 nan 8.150 nan 0.000 0.460 1004 T N -0.779 113.794 114.554 0.031 0.000 2.831 1004 T HA 0.970 5.320 4.350 -0.000 0.000 0.287 1004 T C 0.468 175.156 174.700 -0.019 0.000 1.070 1004 T CA 0.007 62.117 62.100 0.016 0.000 1.010 1004 T CB 1.345 70.234 68.868 0.034 0.000 1.264 1004 T HN 2.561 nan 8.240 nan 0.000 0.532 1005 G N 0.422 109.227 108.800 0.008 0.000 2.384 1005 G HA2 0.395 4.355 3.960 -0.000 0.000 0.200 1005 G HA3 0.395 4.355 3.960 -0.000 0.000 0.200 1005 G C -0.773 174.165 174.900 0.064 0.000 1.205 1005 G CA 0.619 45.712 45.100 -0.012 0.000 1.116 1005 G HN 2.478 nan 8.290 nan 0.000 0.547 1006 H N -2.310 116.715 119.070 -0.076 0.000 2.984 1006 H HA 0.550 5.106 4.556 -0.000 0.000 0.298 1006 H C -0.514 174.773 175.328 -0.068 0.000 1.378 1006 H CA 0.053 56.055 56.048 -0.077 0.000 1.241 1006 H CB 0.762 30.502 29.762 -0.037 0.000 1.894 1006 H HN 0.850 nan 8.280 nan 0.000 0.511 1007 D N 0.729 121.170 120.400 0.067 0.000 2.716 1007 D HA -0.167 4.473 4.640 -0.000 0.000 0.239 1007 D C -0.806 175.486 176.300 -0.015 0.000 1.125 1007 D CA 0.797 54.827 54.000 0.050 0.000 0.681 1007 D CB -0.949 39.947 40.800 0.160 0.000 1.070 1007 D HN 0.646 nan 8.370 nan 0.000 0.432 1008 N N -0.144 118.526 118.700 -0.050 0.000 2.477 1008 N HA 0.512 5.252 4.740 -0.000 0.000 0.284 1008 N C -0.157 175.450 175.510 0.161 0.000 1.182 1008 N CA -0.330 52.758 53.050 0.063 0.000 0.949 1008 N CB 1.505 40.032 38.487 0.065 0.000 1.204 1008 N HN -0.098 nan 8.380 nan 0.000 0.526 1009 S N 0.473 116.345 115.700 0.286 0.000 2.542 1009 S HA 0.576 5.046 4.470 -0.000 0.000 0.293 1009 S C -0.492 174.337 174.600 0.381 0.000 1.089 1009 S CA -0.581 57.783 58.200 0.273 0.000 0.961 1009 S CB 1.301 64.638 63.200 0.229 0.000 1.062 1009 S HN 0.326 nan 8.310 nan 0.000 0.483 1010 I N 2.246 122.963 120.570 0.245 0.000 2.390 1010 I HA 0.351 4.521 4.170 -0.000 0.000 0.283 1010 I C -1.028 175.196 176.117 0.177 0.000 1.016 1010 I CA -0.182 61.265 61.300 0.245 0.000 1.151 1010 I CB 0.458 38.516 38.000 0.096 0.000 1.293 1010 I HN 0.575 nan 8.210 nan 0.000 0.458 1011 W N 5.789 127.142 121.300 0.089 0.000 2.218 1011 W HA 0.550 5.210 4.660 -0.000 0.000 0.326 1011 W C -0.194 176.293 176.519 -0.052 0.000 1.276 1011 W CA -0.337 57.038 57.345 0.049 0.000 1.210 1011 W CB 0.498 30.005 29.460 0.079 0.000 1.143 1011 W HN 0.071 nan 8.180 nan 0.000 0.563 1012 V N 3.038 122.996 119.914 0.073 0.000 2.588 1012 V HA 0.216 4.336 4.120 -0.000 0.000 0.304 1012 V C -0.648 175.314 176.094 -0.219 0.000 1.042 1012 V CA -1.254 60.916 62.300 -0.218 0.000 0.877 1012 V CB 1.708 33.184 31.823 -0.579 0.000 0.996 1012 V HN 0.463 nan 8.190 nan 0.000 0.425 1013 N N 3.617 122.187 118.700 -0.217 0.000 2.457 1013 N HA 0.445 5.185 4.740 -0.000 0.000 0.250 1013 N C -0.974 174.401 175.510 -0.225 0.000 0.982 1013 N CA -0.348 52.627 53.050 -0.125 0.000 0.941 1013 N CB 0.460 38.910 38.487 -0.062 0.000 1.120 1013 N HN 0.408 nan 8.380 nan 0.000 0.505 1014 F N 3.608 123.540 119.950 -0.031 0.000 2.506 1014 F HA 0.222 4.749 4.527 -0.000 0.000 0.371 1014 F C 0.862 176.640 175.800 -0.036 0.000 1.078 1014 F CA -0.397 57.580 58.000 -0.039 0.000 1.195 1014 F CB 0.369 39.335 39.000 -0.058 0.000 1.099 1014 F HN 0.214 nan 8.300 nan 0.000 0.548 1026 I N 0.575 121.150 120.570 0.008 0.000 2.433 1026 I HA 0.494 4.664 4.170 -0.000 0.000 0.292 1026 I C -2.375 173.727 176.117 -0.025 0.000 1.001 1026 I CA -2.262 59.028 61.300 -0.017 0.000 1.119 1026 I CB 1.997 39.976 38.000 -0.034 0.000 1.289 1026 I HN -0.076 nan 8.210 nan 0.000 0.438 1027 P HA 0.223 nan 4.420 nan 0.000 0.276 1027 P C 0.181 177.439 177.300 -0.070 0.000 1.264 1027 P CA -0.117 62.963 63.100 -0.032 0.000 0.769 1027 P CB 1.604 33.285 31.700 -0.031 0.000 0.840 1028 L N 3.142 124.322 121.223 -0.073 0.000 2.269 1028 L HA 0.151 4.491 4.340 -0.000 0.000 0.200 1028 L C 0.749 177.481 176.870 -0.230 0.000 1.069 1028 L CA 0.761 55.500 54.840 -0.168 0.000 0.804 1028 L CB 0.148 42.107 42.059 -0.167 0.000 0.987 1028 L HN 0.100 nan 8.230 nan 0.000 0.468 1029 V N -0.282 119.522 119.914 -0.183 0.000 2.448 1029 V HA 0.316 4.436 4.120 -0.000 0.000 0.295 1029 V C -0.207 175.897 176.094 0.016 0.000 1.025 1029 V CA -0.451 61.666 62.300 -0.305 0.000 0.859 1029 V CB 1.686 33.025 31.823 -0.807 0.000 0.988 1029 V HN 0.117 nan 8.190 nan 0.000 0.431 1030 S N 3.035 118.721 115.700 -0.024 0.000 2.472 1030 S HA 0.923 5.393 4.470 -0.000 0.000 0.303 1030 S C -0.281 174.408 174.600 0.147 0.000 1.099 1030 S CA 0.248 58.505 58.200 0.095 0.000 1.077 1030 S CB 1.422 64.637 63.200 0.024 0.000 1.031 1030 S HN 1.274 nan 8.310 nan 0.000 0.487 1031 A N 4.685 127.660 122.820 0.260 0.000 2.588 1031 A HA 0.908 5.228 4.320 -0.000 0.000 0.290 1031 A C -3.091 174.609 177.584 0.194 0.000 1.136 1031 A CA -1.563 50.638 52.037 0.273 0.000 0.681 1031 A CB 1.007 20.296 19.000 0.482 0.000 1.282 1031 A HN 0.592 nan 8.150 nan 0.000 0.421 1032 P HA 0.166 nan 4.420 nan 0.000 0.272 1032 P C 0.216 177.581 177.300 0.109 0.000 1.223 1032 P CA 0.150 63.317 63.100 0.112 0.000 0.784 1032 P CB 0.591 32.348 31.700 0.096 0.000 0.923 1033 E N 1.344 121.582 120.200 0.063 0.000 2.153 1033 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 1033 E C 1.736 178.364 176.600 0.046 0.000 0.988 1033 E CA 1.485 57.906 56.400 0.035 0.000 0.811 1033 E CB -0.279 29.430 29.700 0.014 0.000 0.746 1033 E HN 0.504 nan 8.360 nan 0.000 0.466 1034 A N 1.194 124.051 122.820 0.062 0.000 2.167 1034 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 1034 A C 1.102 178.742 177.584 0.094 0.000 1.151 1034 A CA 0.243 52.317 52.037 0.062 0.000 0.735 1034 A CB -0.270 18.760 19.000 0.051 0.000 0.802 1034 A HN 0.051 nan 8.150 nan 0.000 0.467 1035 T N 2.426 117.066 114.554 0.144 0.000 2.822 1035 T HA 0.347 4.697 4.350 -0.000 0.000 0.288 1035 T C 0.716 175.554 174.700 0.231 0.000 0.991 1035 T CA 0.272 62.503 62.100 0.219 0.000 1.176 1035 T CB 0.264 69.362 68.868 0.384 0.000 0.951 1035 T HN 0.617 nan 8.240 nan 0.000 0.526 1036 A N 3.452 126.382 122.820 0.184 0.000 2.586 1036 A HA 0.047 4.367 4.320 -0.000 0.000 0.231 1036 A C 1.339 179.107 177.584 0.307 0.000 1.055 1036 A CA -0.395 51.746 52.037 0.173 0.000 0.756 1036 A CB 0.091 19.160 19.000 0.115 0.000 0.988 1036 A HN 0.848 nan 8.150 nan 0.000 0.509 1037 D N 0.642 121.182 120.400 0.234 0.000 2.097 1037 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 1037 D C 1.477 178.081 176.300 0.507 0.000 0.984 1037 D CA 2.014 56.187 54.000 0.288 0.000 0.826 1037 D CB -0.135 40.725 40.800 0.100 0.000 0.973 1037 D HN 0.782 nan 8.370 nan 0.000 0.460 1038 N N 0.675 119.550 118.700 0.292 0.000 2.383 1038 N HA -0.041 4.699 4.740 -0.000 0.000 0.192 1038 N C 1.481 177.059 175.510 0.112 0.000 1.141 1038 N CA -0.005 53.178 53.050 0.223 0.000 0.851 1038 N CB -0.353 38.212 38.487 0.130 0.000 0.976 1038 N HN 0.138 nan 8.380 nan 0.000 0.465 1039 L N -0.547 120.715 121.223 0.064 0.000 2.079 1039 L HA 0.173 4.513 4.340 -0.000 0.000 0.210 1039 L C -0.226 176.280 176.870 -0.607 0.000 1.081 1039 L CA 1.378 56.050 54.840 -0.280 0.000 0.752 1039 L CB -0.226 41.585 42.059 -0.413 0.000 0.896 1039 L HN 0.046 nan 8.230 nan 0.000 0.433 1040 F N -0.393 119.438 119.950 -0.197 0.000 2.469 1040 F HA 0.533 5.060 4.527 -0.000 0.000 0.332 1040 F C 0.542 176.322 175.800 -0.034 0.000 1.103 1040 F CA -0.821 56.978 58.000 -0.336 0.000 0.979 1040 F CB 1.117 39.487 39.000 -1.049 0.000 1.137 1040 F HN -0.065 nan 8.300 nan 0.000 0.463 1041 R N 1.419 122.031 120.500 0.187 0.000 2.922 1041 R HA 0.936 5.276 4.340 -0.000 0.000 0.256 1041 R C -1.404 174.981 176.300 0.141 0.000 1.138 1041 R CA -1.285 54.926 56.100 0.187 0.000 0.995 1041 R CB 1.082 31.458 30.300 0.127 0.000 1.226 1041 R HN 0.624 nan 8.270 nan 0.000 0.481 1042 A N 0.865 123.747 122.820 0.103 0.000 2.388 1042 A HA 0.299 4.619 4.320 -0.000 0.000 0.257 1042 A C 0.014 177.564 177.584 -0.056 0.000 1.095 1042 A CA -0.254 51.807 52.037 0.040 0.000 0.791 1042 A CB 0.643 19.671 19.000 0.046 0.000 1.029 1042 A HN 0.624 nan 8.150 nan 0.000 0.489 1043 S N 0.539 116.132 115.700 -0.178 0.000 2.516 1043 S HA 0.197 4.667 4.470 -0.000 0.000 0.282 1043 S C 1.551 175.932 174.600 -0.366 0.000 1.286 1043 S CA 0.261 58.175 58.200 -0.477 0.000 1.066 1043 S CB 0.083 62.584 63.200 -1.166 0.000 0.884 1043 S HN 1.130 nan 8.310 nan 0.000 0.491 1044 T N 2.880 117.243 114.554 -0.317 0.000 3.215 1044 T HA 0.281 4.631 4.350 -0.000 0.000 0.254 1044 T C 0.592 175.155 174.700 -0.228 0.000 1.149 1044 T CA 0.173 62.153 62.100 -0.199 0.000 1.042 1044 T CB -0.069 68.731 68.868 -0.114 0.000 0.966 1044 T HN 0.543 nan 8.240 nan 0.000 0.534 1045 R N -0.716 119.527 120.500 -0.429 0.000 2.869 1045 R HA 0.723 5.063 4.340 -0.000 0.000 0.263 1045 R C -1.528 174.608 176.300 -0.272 0.000 1.066 1045 R CA -0.810 55.102 56.100 -0.314 0.000 0.960 1045 R CB 2.115 32.278 30.300 -0.229 0.000 1.221 1045 R HN 0.069 nan 8.270 nan 0.000 0.474 1046 V N 1.509 121.456 119.914 0.054 0.000 2.532 1046 V HA 0.569 4.689 4.120 -0.000 0.000 0.295 1046 V C -0.718 175.605 176.094 0.381 0.000 1.041 1046 V CA -0.608 61.803 62.300 0.185 0.000 0.926 1046 V CB 1.807 33.718 31.823 0.148 0.000 0.992 1046 V HN 0.397 nan 8.190 nan 0.000 0.457 1047 V N 2.998 123.116 119.914 0.341 0.000 2.577 1047 V HA 0.962 5.082 4.120 -0.000 0.000 0.303 1047 V C 0.454 176.601 176.094 0.089 0.000 1.042 1047 V CA 0.400 62.855 62.300 0.259 0.000 0.872 1047 V CB 0.785 32.794 31.823 0.309 0.000 0.998 1047 V HN 1.405 nan 8.190 nan 0.000 0.423 1048 G N 4.035 112.799 108.800 -0.062 0.000 2.512 1048 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.210 1048 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.210 1048 G C -0.878 173.872 174.900 -0.249 0.000 1.295 1048 G CA -0.535 44.346 45.100 -0.366 0.000 0.934 1048 G HN 0.683 nan 8.290 nan 0.000 0.554 1049 F N 2.311 122.302 119.950 0.069 0.000 2.351 1049 F HA 0.615 5.141 4.527 -0.000 0.000 0.362 1049 F C 1.357 177.181 175.800 0.041 0.000 1.131 1049 F CA -0.270 57.755 58.000 0.042 0.000 1.187 1049 F CB 0.670 39.684 39.000 0.024 0.000 1.434 1049 F HN 0.953 nan 8.300 nan 0.000 0.553 1050 S N -1.452 114.350 115.700 0.170 0.000 2.126 1050 S HA 0.016 4.486 4.470 -0.000 0.000 0.242 1050 S C 0.461 175.056 174.600 -0.008 0.000 0.898 1050 S CA 0.092 58.328 58.200 0.061 0.000 1.395 1050 S CB 0.178 63.467 63.200 0.148 0.000 0.966 1050 S HN 0.323 nan 8.310 nan 0.000 0.435 1051 D N 1.175 121.604 120.400 0.049 0.000 3.028 1051 D HA -0.130 4.510 4.640 -0.000 0.000 0.211 1051 D C 0.088 176.392 176.300 0.007 0.000 1.136 1051 D CA 1.544 55.561 54.000 0.028 0.000 0.987 1051 D CB -1.607 39.197 40.800 0.007 0.000 1.128 1051 D HN 1.003 nan 8.370 nan 0.000 0.406 1052 V N -2.136 117.770 119.914 -0.013 0.000 2.444 1052 V HA 0.613 4.733 4.120 -0.000 0.000 0.294 1052 V C 0.741 176.904 176.094 0.114 0.000 1.022 1052 V CA -0.750 61.531 62.300 -0.031 0.000 0.850 1052 V CB 1.957 33.570 31.823 -0.349 0.000 0.992 1052 V HN -0.041 nan 8.190 nan 0.000 0.426 1053 T N 7.640 122.262 114.554 0.113 0.000 2.856 1053 T HA 0.234 4.584 4.350 -0.000 0.000 0.329 1053 T C -2.086 172.777 174.700 0.273 0.000 1.094 1053 T CA 0.291 62.469 62.100 0.130 0.000 1.112 1053 T CB 0.413 69.319 68.868 0.064 0.000 1.009 1053 T HN 0.829 nan 8.240 nan 0.000 0.550 1054 P HA 0.529 nan 4.420 nan 0.000 0.285 1054 P C -0.835 176.586 177.300 0.202 0.000 1.280 1054 P CA -0.710 62.615 63.100 0.374 0.000 0.862 1054 P CB 1.165 33.029 31.700 0.274 0.000 1.153 1055 I N 1.572 122.258 120.570 0.193 0.000 2.404 1055 I HA 0.384 4.554 4.170 -0.000 0.000 0.293 1055 I C 0.012 176.191 176.117 0.103 0.000 0.992 1055 I CA -0.924 60.442 61.300 0.109 0.000 1.149 1055 I CB 1.565 39.597 38.000 0.053 0.000 1.315 1055 I HN 0.131 nan 8.210 nan 0.000 0.446 1056 L N 5.565 126.846 121.223 0.097 0.000 2.333 1056 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 1056 L C -0.074 176.845 176.870 0.082 0.000 1.004 1056 L CA -0.368 54.542 54.840 0.117 0.000 0.820 1056 L CB 2.103 44.278 42.059 0.195 0.000 1.247 1056 L HN 0.654 nan 8.230 nan 0.000 0.416 1057 S N 2.255 117.979 115.700 0.040 0.000 2.566 1057 S HA 0.713 5.183 4.470 -0.000 0.000 0.298 1057 S C -0.717 173.806 174.600 -0.129 0.000 1.083 1057 S CA -0.762 57.423 58.200 -0.025 0.000 0.978 1057 S CB 2.263 65.442 63.200 -0.034 0.000 1.073 1057 S HN 0.198 nan 8.310 nan 0.000 0.491 1058 V N 3.332 123.115 119.914 -0.219 0.000 2.383 1058 V HA 0.586 4.706 4.120 -0.000 0.000 0.275 1058 V C 0.452 176.370 176.094 -0.293 0.000 1.036 1058 V CA -0.570 61.469 62.300 -0.435 0.000 0.889 1058 V CB 0.764 32.308 31.823 -0.465 0.000 0.985 1058 V HN 0.962 nan 8.190 nan 0.000 0.459 1059 R N 4.834 125.154 120.500 -0.300 0.000 2.888 1059 R HA 0.638 4.978 4.340 -0.000 0.000 0.266 1059 R C -1.265 174.920 176.300 -0.192 0.000 1.020 1059 R CA -0.940 55.045 56.100 -0.191 0.000 0.963 1059 R CB 2.164 32.386 30.300 -0.129 0.000 1.197 1059 R HN 0.603 nan 8.270 nan 0.000 0.481 1060 K N 1.799 122.123 120.400 -0.126 0.000 2.292 1060 K HA 0.326 4.646 4.320 -0.000 0.000 0.257 1060 K C -1.228 175.334 176.600 -0.064 0.000 0.940 1060 K CA -0.724 55.506 56.287 -0.094 0.000 0.811 1060 K CB 1.989 34.445 32.500 -0.074 0.000 1.120 1060 K HN 0.557 nan 8.250 nan 0.000 0.428 1061 E N 1.466 121.637 120.200 -0.050 0.000 2.354 1061 E HA 0.096 4.446 4.350 -0.000 0.000 0.283 1061 E C -1.388 175.198 176.600 -0.023 0.000 0.938 1061 E CA -0.240 56.139 56.400 -0.035 0.000 0.777 1061 E CB 1.000 30.678 29.700 -0.038 0.000 1.222 1061 E HN 0.587 nan 8.360 nan 0.000 0.423 1062 D N 3.201 123.591 120.400 -0.017 0.000 2.772 1062 D HA -0.226 4.414 4.640 -0.000 0.000 0.233 1062 D C 0.547 176.844 176.300 -0.005 0.000 1.143 1062 D CA 1.680 55.674 54.000 -0.010 0.000 0.700 1062 D CB -0.850 39.944 40.800 -0.010 0.000 1.076 1062 D HN 0.980 nan 8.370 nan 0.000 0.430 1063 G N -0.293 108.504 108.800 -0.005 0.000 2.159 1063 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.256 1063 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.256 1063 G C 0.211 175.116 174.900 0.008 0.000 0.977 1063 G CA 0.953 46.054 45.100 0.002 0.000 0.652 1063 G HN 0.458 nan 8.290 nan 0.000 0.531 1064 K N -0.343 120.059 120.400 0.003 0.000 2.464 1064 K HA 0.540 4.859 4.320 -0.000 0.000 0.253 1064 K C -0.020 176.576 176.600 -0.007 0.000 0.933 1064 K CA -0.903 55.394 56.287 0.016 0.000 0.801 1064 K CB 2.165 34.682 32.500 0.028 0.000 1.271 1064 K HN 0.166 nan 8.250 nan 0.000 0.430 1065 K N 1.463 121.862 120.400 -0.000 0.000 2.258 1065 K HA 0.109 4.429 4.320 -0.000 0.000 0.264 1065 K C -0.869 175.677 176.600 -0.090 0.000 1.007 1065 K CA 0.182 56.407 56.287 -0.103 0.000 0.941 1065 K CB 0.708 33.109 32.500 -0.165 0.000 0.966 1065 K HN 0.564 nan 8.250 nan 0.000 0.480 1066 E N 2.629 122.669 120.200 -0.267 0.000 2.278 1066 E HA 0.192 4.542 4.350 -0.000 0.000 0.272 1066 E C -1.517 174.956 176.600 -0.212 0.000 0.890 1066 E CA -0.663 55.679 56.400 -0.097 0.000 0.770 1066 E CB 0.887 30.545 29.700 -0.071 0.000 1.212 1066 E HN 0.498 nan 8.360 nan 0.000 0.415 1067 W N 4.368 125.622 121.300 -0.077 0.000 2.331 1067 W HA 0.444 5.104 4.660 -0.000 0.000 0.306 1067 W C -0.507 175.963 176.519 -0.081 0.000 1.162 1067 W CA -0.728 56.577 57.345 -0.066 0.000 1.232 1067 W CB 1.611 31.017 29.460 -0.090 0.000 1.235 1067 W HN 0.213 nan 8.180 nan 0.000 0.479 1068 V N 7.447 127.418 119.914 0.095 0.000 2.483 1068 V HA 0.331 4.451 4.120 -0.000 0.000 0.297 1068 V C -0.898 175.228 176.094 0.052 0.000 1.027 1068 V CA -0.939 61.383 62.300 0.037 0.000 0.855 1068 V CB 1.560 33.376 31.823 -0.010 0.000 0.995 1068 V HN 0.359 nan 8.190 nan 0.000 0.424 1069 L N 7.143 128.393 121.223 0.045 0.000 2.385 1069 L HA 0.498 4.838 4.340 -0.000 0.000 0.281 1069 L C 0.551 177.465 176.870 0.074 0.000 1.106 1069 L CA 0.941 55.823 54.840 0.070 0.000 0.856 1069 L CB 0.665 42.753 42.059 0.048 0.000 1.186 1069 L HN 0.885 nan 8.230 nan 0.000 0.453 1070 D N 1.749 122.194 120.400 0.076 0.000 2.461 1070 D HA 0.284 4.924 4.640 -0.000 0.000 0.266 1070 D C 0.661 176.994 176.300 0.056 0.000 1.085 1070 D CA 0.577 54.609 54.000 0.055 0.000 0.887 1070 D CB 0.111 40.922 40.800 0.019 0.000 1.309 1070 D HN 0.541 nan 8.370 nan 0.000 0.498 1071 G N -1.266 107.570 108.800 0.059 0.000 3.211 1071 G HA2 0.631 4.591 3.960 -0.000 0.000 0.262 1071 G HA3 0.631 4.591 3.960 -0.000 0.000 0.262 1071 G C -1.394 173.571 174.900 0.109 0.000 1.352 1071 G CA -0.803 44.292 45.100 -0.008 0.000 1.004 1071 G HN 0.271 nan 8.290 nan 0.000 0.559 1072 Y N -3.287 117.014 120.300 0.002 0.000 2.896 1072 Y HA 0.840 5.390 4.550 -0.000 0.000 0.317 1072 Y C -0.506 175.371 175.900 -0.039 0.000 1.444 1072 Y CA -1.142 56.941 58.100 -0.028 0.000 1.084 1072 Y CB 1.134 39.471 38.460 -0.206 0.000 1.382 1072 Y HN 0.601 nan 8.280 nan 0.000 0.471 1073 Q N -0.146 119.804 119.800 0.249 0.000 2.814 1073 Q HA 0.734 5.074 4.340 -0.000 0.000 0.322 1073 Q C -1.867 174.222 176.000 0.149 0.000 0.861 1073 Q CA -1.047 54.827 55.803 0.119 0.000 0.773 1073 Q CB 3.236 32.009 28.738 0.058 0.000 1.423 1073 Q HN 0.596 nan 8.270 nan 0.000 0.495 1085 A N 1.998 124.716 122.820 -0.170 0.000 1.837 1085 A HA 0.268 4.588 4.320 -0.000 0.000 0.216 1085 A C 1.626 179.068 177.584 -0.235 0.000 1.210 1085 A CA 2.656 54.530 52.037 -0.272 0.000 0.632 1085 A CB -1.016 17.699 19.000 -0.475 0.000 0.843 1085 A HN 1.965 nan 8.150 nan 0.000 0.448 1086 T N -3.789 110.737 114.554 -0.048 0.000 2.892 1086 T HA 0.480 4.830 4.350 -0.000 0.000 0.280 1086 T C 0.813 175.570 174.700 0.095 0.000 1.004 1086 T CA 0.115 62.254 62.100 0.065 0.000 0.950 1086 T CB 0.473 69.403 68.868 0.103 0.000 1.309 1086 T HN 0.683 nan 8.240 nan 0.000 0.592 1087 F N -0.209 119.715 119.950 -0.043 0.000 2.456 1087 F HA 0.178 4.705 4.527 -0.000 0.000 0.298 1087 F C 2.139 177.888 175.800 -0.086 0.000 1.104 1087 F CA 0.192 58.121 58.000 -0.118 0.000 1.435 1087 F CB -0.746 38.144 39.000 -0.184 0.000 1.078 1087 F HN 0.131 nan 8.300 nan 0.000 0.546 1088 M N 1.099 120.091 119.600 -1.013 0.000 2.106 1088 M HA -0.227 4.253 4.480 -0.000 0.000 0.259 1088 M C 1.748 177.809 176.300 -0.398 0.000 1.068 1088 M CA 1.842 56.684 55.300 -0.765 0.000 1.100 1088 M CB -1.643 30.584 32.600 -0.622 0.000 1.351 1088 M HN 0.358 nan 8.290 nan 0.000 0.404 1089 H N -0.686 118.260 119.070 -0.207 0.000 2.555 1089 H HA 0.228 4.784 4.556 -0.000 0.000 0.269 1089 H C 0.346 175.636 175.328 -0.063 0.000 0.988 1089 H CA 0.061 56.052 56.048 -0.095 0.000 1.178 1089 H CB -0.444 29.290 29.762 -0.046 0.000 1.373 1089 H HN 0.283 nan 8.280 nan 0.000 0.588 1090 I N 2.208 122.777 120.570 -0.003 0.000 2.471 1090 I HA -0.050 4.120 4.170 -0.000 0.000 0.294 1090 I C 0.831 176.971 176.117 0.037 0.000 1.123 1090 I CA -0.379 60.912 61.300 -0.016 0.000 1.336 1090 I CB 0.063 37.955 38.000 -0.181 0.000 1.430 1090 I HN 0.231 nan 8.210 nan 0.000 0.533 1091 S N 6.011 121.723 115.700 0.021 0.000 2.589 1091 S HA -0.162 4.308 4.470 -0.000 0.000 0.256 1091 S C 1.032 175.576 174.600 -0.093 0.000 1.383 1091 S CA 0.272 58.444 58.200 -0.046 0.000 0.983 1091 S CB 0.473 63.665 63.200 -0.013 0.000 0.908 1091 S HN 0.605 nan 8.310 nan 0.000 0.572 1092 Y N 2.080 122.096 120.300 -0.474 0.000 2.269 1092 Y HA 0.031 4.581 4.550 -0.000 0.000 0.294 1092 Y C 2.396 178.298 175.900 0.002 0.000 1.120 1092 Y CA 1.836 59.678 58.100 -0.431 0.000 1.159 1092 Y CB -0.777 37.235 38.460 -0.746 0.000 1.024 1092 Y HN 0.859 nan 8.280 nan 0.000 0.532 1093 N N 0.792 119.497 118.700 0.008 0.000 2.104 1093 N HA -0.265 4.475 4.740 -0.000 0.000 0.190 1093 N C 1.740 177.227 175.510 -0.039 0.000 1.024 1093 N CA 1.690 54.722 53.050 -0.030 0.000 0.853 1093 N CB -0.548 37.966 38.487 0.045 0.000 1.008 1093 N HN 0.392 nan 8.380 nan 0.000 0.424 1094 N N 0.269 118.991 118.700 0.037 0.000 2.005 1094 N HA -0.252 4.488 4.740 -0.000 0.000 0.199 1094 N C 1.651 177.268 175.510 0.178 0.000 1.054 1094 N CA 1.804 54.929 53.050 0.125 0.000 0.864 1094 N CB -1.035 37.540 38.487 0.147 0.000 1.063 1094 N HN 0.427 nan 8.380 nan 0.000 0.428 1095 F N 0.418 120.386 119.950 0.029 0.000 2.063 1095 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 1095 F C 2.303 178.119 175.800 0.028 0.000 1.105 1095 F CA 1.843 59.881 58.000 0.064 0.000 1.215 1095 F CB -0.550 38.462 39.000 0.019 0.000 0.972 1095 F HN 0.191 nan 8.300 nan 0.000 0.483 1096 I N 0.755 120.873 120.570 -0.754 0.000 2.617 1096 I HA -0.157 4.013 4.170 -0.000 0.000 0.256 1096 I C 2.482 178.356 176.117 -0.405 0.000 1.167 1096 I CA 1.752 62.521 61.300 -0.884 0.000 1.469 1096 I CB -0.618 36.880 38.000 -0.836 0.000 1.098 1096 I HN 0.495 nan 8.210 nan 0.000 0.436 1097 T N -1.657 112.763 114.554 -0.223 0.000 2.857 1097 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 1097 T C 1.769 176.428 174.700 -0.068 0.000 1.048 1097 T CA 1.152 63.190 62.100 -0.103 0.000 1.139 1097 T CB -0.447 68.398 68.868 -0.038 0.000 0.874 1097 T HN 0.390 nan 8.240 nan 0.000 0.455 1098 E N 1.728 121.913 120.200 -0.026 0.000 2.204 1098 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 1098 E C 1.580 178.159 176.600 -0.036 0.000 0.989 1098 E CA 0.646 57.054 56.400 0.012 0.000 0.824 1098 E CB -0.927 28.860 29.700 0.145 0.000 0.756 1098 E HN 0.398 nan 8.360 nan 0.000 0.477 1099 V N 2.196 122.044 119.914 -0.110 0.000 3.226 1099 V HA 0.096 4.215 4.120 -0.000 0.000 0.385 1099 V C 0.181 176.232 176.094 -0.072 0.000 1.268 1099 V CA 0.798 63.040 62.300 -0.097 0.000 1.443 1099 V CB -2.089 29.619 31.823 -0.193 0.000 1.290 1099 V HN 0.627 nan 8.190 nan 0.000 0.490 1100 N N 0.000 118.670 118.700 -0.050 0.000 1.763 1100 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1100 N CA 0.000 53.029 53.050 -0.034 0.000 0.885 1100 N CB 0.000 38.483 38.487 -0.006 0.000 1.341 1100 N HN 0.000 nan 8.380 nan 0.000 0.667