Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
26518 | 2kle RC | 16191 | cing | 1-original | 2 | XPLOR/CNS | distance | hydrogen bond | simple |
! !AUREMOL Modelling HBond prediction !Alignment file: C:\frank\pc2_cns\051208_ISIC\alignpc2.aln !Xray structure: 0 (0: no, 1: yes) !Max. distance: 0.35 nm !Max. angle: 35.00 � !Only if 50.00 % models !Use confidence interval: 0 !Confidence Niveau: 99.00000 % !Use Cyclist: 0 !File format: 0 (0: CNS, 1: DYANA, 2: CNS_DYANA, 3: CNS_CYANA, 4: CNS_IUPAC) !Donators: HN !Acceptors: O N !Selection: !Calculate over gaps: 1 !Selected Residues by number: no selection !Selected Residues by exclude area: no selection !Score level: no selection ! assign (resid 729 and name HN) (resid 732 and name N) 2.773749 0.211331 0.211331 !Samplesize=9 P_HB=0.90 stddev=0.10567 cdev=0.10859 KST=0.53323 !HBOND angle=13.40 +-5.90 !Values: 2.70171 2.86816 2.73000 2.70161 2.74200 2.82554 3.00223 2.68636 2.70615 assign (resid 733 and name HN) (resid 730 and name O) 3.158922 0.018922 0.018922 !Samplesize=5 P_HB=0.50 stddev=0.00946 cdev=0.00972 KST=0.74368 !HBOND angle=33.84 +-0.26 !Values: 3.15025 3.16703 3.15780 3.14941 3.17012 assign (resid 733 and name HN) (resid 731 and name N) 3.121017 0.056612 0.056612 !Samplesize=9 P_HB=0.90 stddev=0.02831 cdev=0.02909 KST=0.40933 !HBOND angle=16.89 +-1.18 !Values: 3.12467 3.11680 3.06705 3.11885 3.14495 3.17340 3.11484 3.11718 3.11143 assign (resid 735 and name HN) (resid 730 and name O) 2.107687 0.413271 0.413271 !Samplesize=8 P_HB=0.80 stddev=0.20664 cdev=0.21236 KST=0.46962 !HBOND angle=17.09 +-6.11 !Values: 2.27699 2.05984 2.37015 2.03317 1.80292 2.21136 2.25846 1.84859 assign (resid 737 and name HN) (resid 741 and name N) 2.612865 0.526295 0.526295 !Samplesize=10 P_HB=1.00 stddev=0.26315 cdev=0.27043 KST=0.44197 !HBOND angle=29.34 +-2.94 !Values: 2.44129 2.97956 2.28927 2.55922 2.95817 2.91001 2.54430 2.31323 2.41604 2.71757 assign (resid 738 and name HN) (resid 768 and name O) 1.857159 0.207159 0.325347 !Samplesize=7 P_HB=0.70 stddev=0.16267 cdev=0.16718 KST=0.22993 !HBOND angle=16.01 +-10.14 !Values: 1.68620 1.79445 1.87660 2.06023 1.70853 1.78031 2.09381 assign (resid 740 and name HN) (resid 738 and name N) 3.311445 0.189477 0.189477 !Samplesize=7 P_HB=0.70 stddev=0.09474 cdev=0.09736 KST=0.74099 !HBOND angle=32.51 +-1.23 !Values: 3.33620 3.21220 3.36003 3.14847 3.36257 3.41471 3.34593 assign (resid 741 and name HN) (resid 737 and name O) 1.650000 0.000000 0.310841 !Samplesize=10 P_HB=1.00 stddev=0.15542 cdev=0.15972 KST=2.34389 !HBOND angle=13.62 +-4.43 !Values: 1.00360 1.13376 1.04963 1.00775 0.91935 1.32624 0.97875 1.12977 0.96167 1.38031 assign (resid 741 and name HN) (resid 738 and name N) 3.163663 0.189948 0.189948 !Samplesize=10 P_HB=1.00 stddev=0.09497 cdev=0.09760 KST=0.35481 !HBOND angle=14.02 +-2.52 !Values: 3.20900 3.16692 3.21354 3.23777 3.00729 3.06720 3.20685 3.30859 3.17565 3.04382 assign (resid 742 and name HN) (resid 738 and name O) 2.374687 0.201683 0.201683 !Samplesize=8 P_HB=0.80 stddev=0.10084 cdev=0.10363 KST=0.27055 !HBOND angle=32.67 +-1.05 !Values: 2.41224 2.41881 2.49802 2.27623 2.31685 2.37722 2.48737 2.21076 assign (resid 742 and name HN) (resid 739 and name O) 2.852259 0.073934 0.073934 !Samplesize=8 P_HB=0.80 stddev=0.03697 cdev=0.03799 KST=0.45406 !HBOND angle=32.55 +-2.40 !Values: 2.89657 2.83438 2.89287 2.82946 2.86502 2.80238 2.88361 2.81379 assign (resid 742 and name HN) (resid 740 and name N) 3.257355 0.132433 0.132433 !Samplesize=10 P_HB=1.00 stddev=0.06622 cdev=0.06805 KST=0.49891 !HBOND angle=22.72 +-1.19 !Values: 3.23757 3.29780 3.28095 3.16501 3.33019 3.38191 3.23631 3.23988 3.18401 3.21991 assign (resid 743 and name HN) (resid 740 and name O) 1.963785 0.066384 0.066384 !Samplesize=10 P_HB=1.00 stddev=0.03319 cdev=0.03411 KST=0.37037 !HBOND angle=25.98 +-1.12 !Values: 1.99278 1.97807 1.93668 1.95470 2.01583 1.95949 2.00700 1.92477 1.94410 1.92443 assign (resid 743 and name HN) (resid 741 and name N) 3.388402 0.060070 0.060070 !Samplesize=10 P_HB=1.00 stddev=0.03003 cdev=0.03087 KST=0.32988 !HBOND angle=29.00 +-0.56 !Values: 3.42566 3.39069 3.41768 3.34295 3.39792 3.37888 3.39749 3.39855 3.40265 3.33155 assign (resid 744 and name HN) (resid 740 and name O) 3.207813 0.164526 0.164526 !Samplesize=10 P_HB=1.00 stddev=0.08226 cdev=0.08454 KST=0.48082 !HBOND angle=28.72 +-1.50 !Values: 3.34242 3.14837 3.16230 3.31449 3.18768 3.11852 3.26683 3.18648 3.25101 3.10002 assign (resid 744 and name HN) (resid 741 and name O) 1.911718 0.106637 0.106637 !Samplesize=10 P_HB=1.00 stddev=0.05332 cdev=0.05479 KST=0.52276 !HBOND angle=31.83 +-2.12 !Values: 1.91356 1.94261 1.91849 1.87447 1.97889 1.93420 1.93171 1.92082 1.77920 1.92323 assign (resid 744 and name HN) (resid 742 and name N) 3.241049 0.100724 0.100724 !Samplesize=10 P_HB=1.00 stddev=0.05036 cdev=0.05176 KST=0.59712 !HBOND angle=28.31 +-2.02 !Values: 3.27202 3.24396 3.23769 3.23398 3.28753 3.25576 3.27184 3.25708 3.10613 3.24450 assign (resid 745 and name HN) (resid 741 and name O) 1.929387 0.168985 0.168985 !Samplesize=10 P_HB=1.00 stddev=0.08449 cdev=0.08683 KST=0.49054 !HBOND angle=12.39 +-1.62 !Values: 2.02845 1.83928 1.87829 2.08048 1.84668 1.85231 1.92067 1.90337 2.01510 1.92925 assign (resid 745 and name HN) (resid 742 and name N) 3.452949 0.062516 0.062516 !Samplesize=9 P_HB=0.90 stddev=0.03126 cdev=0.03212 KST=0.24313 !HBOND angle=18.40 +-1.50 !Values: 3.49291 3.42745 3.44280 3.49903 3.45449 3.46606 3.45587 3.39835 3.43958 assign (resid 746 and name HN) (resid 743 and name O) 3.359874 0.087257 0.087257 !Samplesize=9 P_HB=0.90 stddev=0.04363 cdev=0.04484 KST=0.28449 !HBOND angle=16.51 +-0.78 !Values: 3.35859 3.38483 3.35060 3.39386 3.33018 3.39515 3.42458 3.30261 3.29848 assign (resid 755 and name HN) (resid 751 and name O) 2.263058 0.191091 0.191091 !Samplesize=10 P_HB=1.00 stddev=0.09555 cdev=0.09819 KST=0.33942 !HBOND angle=13.07 +-1.32 !Values: 2.22911 2.31420 2.19265 2.39331 2.28185 2.40449 2.31911 2.15892 2.21447 2.12247 assign (resid 756 and name HN) (resid 752 and name O) 1.738431 0.088431 0.150202 !Samplesize=10 P_HB=1.00 stddev=0.07510 cdev=0.07718 KST=0.73071 !HBOND angle=19.08 +-1.17 !Values: 1.69550 1.69500 1.80513 1.68063 1.69929 1.66488 1.74799 1.81335 1.68878 1.89378 assign (resid 757 and name HN) (resid 753 and name O) 1.936835 0.071661 0.071661 !Samplesize=10 P_HB=1.00 stddev=0.03583 cdev=0.03682 KST=0.59397 !HBOND angle=12.09 +-1.70 !Values: 1.92371 1.97713 1.91212 1.89639 1.91253 1.89742 1.99325 1.97804 1.92340 1.95435 assign (resid 758 and name HN) (resid 754 and name O) 2.254313 0.060564 0.060564 !Samplesize=10 P_HB=1.00 stddev=0.03028 cdev=0.03112 KST=0.34309 !HBOND angle=22.01 +-1.67 !Values: 2.26156 2.30189 2.21446 2.30030 2.22416 2.22366 2.24322 2.26012 2.26725 2.24650 assign (resid 759 and name HN) (resid 755 and name O) 2.186899 0.100011 0.100011 !Samplesize=10 P_HB=1.00 stddev=0.05001 cdev=0.05139 KST=0.29108 !HBOND angle=13.24 +-0.71 !Values: 2.23235 2.18435 2.09402 2.13306 2.23286 2.17779 2.14383 2.20631 2.21852 2.24589 assign (resid 760 and name HN) (resid 756 and name O) 2.639922 0.154615 0.154615 !Samplesize=10 P_HB=1.00 stddev=0.07731 cdev=0.07945 KST=0.38493 !HBOND angle=27.94 +-1.05 !Values: 2.61004 2.58515 2.52022 2.62875 2.72751 2.73301 2.62259 2.66243 2.56026 2.74925 assign (resid 760 and name HN) (resid 758 and name N) 3.476047 0.029472 0.029472 !Samplesize=8 P_HB=0.80 stddev=0.01474 cdev=0.01514 KST=0.36305 !HBOND angle=27.72 +-0.41 !Values: 3.46426 3.48471 3.47538 3.49119 3.47414 3.48061 3.44721 3.49089 assign (resid 761 and name HN) (resid 757 and name O) 2.935505 0.210710 0.210710 !Samplesize=10 P_HB=1.00 stddev=0.10536 cdev=0.10827 KST=0.43200 !HBOND angle=24.97 +-0.89 !Values: 2.88720 2.84272 2.82498 3.17538 2.94475 2.99468 2.88207 2.94008 2.85189 3.01130 assign (resid 761 and name HN) (resid 758 and name O) 2.462583 0.120964 0.120964 !Samplesize=10 P_HB=1.00 stddev=0.06048 cdev=0.06216 KST=0.51098 !HBOND angle=32.96 +-1.15 !Values: 2.49287 2.49909 2.51157 2.49224 2.43354 2.34348 2.50650 2.46986 2.50619 2.37049 assign (resid 762 and name HN) (resid 758 and name O) 1.912391 0.087932 0.087932 !Samplesize=10 P_HB=1.00 stddev=0.04397 cdev=0.04518 KST=0.23753 !HBOND angle=6.14 +-1.74 !Values: 1.95029 1.86429 1.87583 1.95087 1.90074 1.91963 1.83543 1.92681 1.97900 1.92104 assign (resid 763 and name HN) (resid 758 and name O) 3.328166 0.095245 0.095245 !Samplesize=9 P_HB=0.90 stddev=0.04762 cdev=0.04894 KST=0.59103 !HBOND angle=31.61 +-0.81 !Values: 3.33928 3.25135 3.27366 3.36826 3.28047 3.33443 3.35543 3.37102 3.37961 assign (resid 763 and name HN) (resid 759 and name O) 1.778241 0.041030 0.041030 !Samplesize=10 P_HB=1.00 stddev=0.02051 cdev=0.02108 KST=0.21543 !HBOND angle=30.45 +-0.87 !Values: 1.77638 1.79639 1.80649 1.75767 1.79411 1.76447 1.79330 1.77071 1.78316 1.73972 assign (resid 766 and name HN) (resid 764 and name N) 3.386232 0.066645 0.066645 !Samplesize=10 P_HB=1.00 stddev=0.03332 cdev=0.03425 KST=0.51379 !HBOND angle=20.26 +-1.02 !Values: 3.36223 3.38806 3.36657 3.37735 3.39380 3.40530 3.39138 3.36376 3.34719 3.46668 assign (resid 769 and name HN) (resid 736 and name O) 2.353620 0.466536 0.466536 !Samplesize=7 P_HB=0.70 stddev=0.23327 cdev=0.23973 KST=0.57295 !HBOND angle=28.33 +-4.14 !Values: 2.52266 2.42330 2.42279 2.49156 2.41558 1.83850 2.36097 assign (resid 770 and name HN) (resid 736 and name O) 1.681317 0.031317 0.061304 !Samplesize=9 P_HB=0.90 stddev=0.03065 cdev=0.03150 KST=0.27623 !HBOND angle=20.70 +-2.73 !Values: 1.70321 1.65575 1.68032 1.67727 1.73619 1.66816 1.64825 1.71366 1.64903 assign (resid 775 and name HN) (resid 771 and name O) 2.042742 0.392741 0.504031 !Samplesize=6 P_HB=0.60 stddev=0.25202 cdev=0.25899 KST=0.58498 !HBOND angle=22.43 +-7.62 !Values: 1.75389 2.29259 2.34233 1.78864 1.94635 2.13264 assign (resid 775 and name HN) (resid 773 and name N) 3.235937 0.146777 0.146777 !Samplesize=6 P_HB=0.60 stddev=0.07339 cdev=0.07542 KST=0.90613 !HBOND angle=25.63 +-4.44 !Values: 3.37463 3.17507 3.19814 3.19226 3.21977 3.25575 assign (resid 776 and name HN) (resid 772 and name O) 2.340480 0.536902 0.536902 !Samplesize=10 P_HB=1.00 stddev=0.26845 cdev=0.27588 KST=0.23961 !HBOND angle=25.94 +-3.09 !Values: 2.08421 2.41753 2.67584 2.23120 1.83501 2.27868 2.40392 2.57247 2.68760 2.21835 assign (resid 776 and name HN) (resid 773 and name O) 2.880832 0.079850 0.079850 !Samplesize=5 P_HB=0.50 stddev=0.03992 cdev=0.04103 KST=0.82559 !HBOND angle=30.79 +-0.77 !Values: 2.83600 2.92042 2.84151 2.91451 2.89171 assign (resid 776 and name HN) (resid 774 and name N) 3.418233 0.115553 0.115553 !Samplesize=6 P_HB=0.60 stddev=0.05778 cdev=0.05938 KST=0.94614 !HBOND angle=29.40 +-1.58 !Values: 3.49534 3.37949 3.36532 3.39351 3.38756 3.48818 assign (resid 777 and name HN) (resid 773 and name O) 3.160670 1.112458 1.112458 !Samplesize=8 P_HB=0.80 stddev=0.55623 cdev=0.57163 KST=0.71031 !HBOND angle=23.36 +-6.22 !Values: 3.31919 3.38049 3.46764 3.18859 1.80039 3.33768 3.44631 3.34507 assign (resid 778 and name HN) (resid 774 and name O) 2.356209 0.363457 0.363457 !Samplesize=10 P_HB=1.00 stddev=0.18173 cdev=0.18676 KST=0.31144 !HBOND angle=19.43 +-5.87 !Values: 2.30841 2.08115 2.56317 2.18546 2.42876 2.55241 2.39234 2.09542 2.52652 2.42844 assign (resid 778 and name HN) (resid 776 and name N) 3.387647 0.076794 0.076794 !Samplesize=5 P_HB=0.50 stddev=0.03840 cdev=0.03946 KST=1.00340 !HBOND angle=29.50 +-1.60 !Values: 3.40608 3.37555 3.38187 3.43922 3.33551 assign (resid 783 and name HN) (resid 781 and name N) 3.373543 0.124982 0.124982 !Samplesize=7 P_HB=0.70 stddev=0.06249 cdev=0.06422 KST=0.70083 !HBOND angle=26.29 +-4.00 !Values: 3.30264 3.42752 3.44254 3.42321 3.31341 3.30926 3.39621 assign (resid 784 and name HN) (resid 780 and name O) 2.426768 0.776767 0.986183 !Samplesize=6 P_HB=0.60 stddev=0.49309 cdev=0.50674 KST=0.66706 !HBOND angle=18.46 +-10.27 !Values: 2.38801 1.73748 2.00481 3.04955 2.82113 2.55963 assign (resid 729 and name HN) (resid 724 and name O) 1.924658 0.111048 0.111048 !Samplesize=10 P_HB=1.00 stddev=0.05552 cdev=0.05706 KST=0.71496 !HBOND angle=16.61 +-1.48 !Values: 1.89055 1.86637 2.00141 1.89058 1.89352 1.90935 1.91168 1.94108 1.89965 2.04240 assign (resid 730 and name HN) (resid 728 and name O) 1.701322 0.051322 0.121184 !Samplesize=10 P_HB=1.00 stddev=0.06059 cdev=0.06227 KST=0.63654 !HBOND angle=20.81 +-0.53 !Values: 1.65401 1.67299 1.65717 1.66848 1.85387 1.74853 1.67047 1.70736 1.67934 1.70100 assign (resid 738 and name HN) (resid 768 and name O) 2.584022 0.934022 0.987720 !Samplesize=7 P_HB=0.70 stddev=0.49386 cdev=0.50753 KST=0.62204 !HBOND angle=23.13 +-3.68 !Values: 2.32355 1.74967 3.05421 3.05852 3.03790 2.40948 2.45481 assign (resid 741 and name HN) (resid 737 and name O) 1.975019 0.314936 0.314936 !Samplesize=10 P_HB=1.00 stddev=0.15747 cdev=0.16183 KST=0.40495 !HBOND angle=10.22 +-1.55 !Values: 2.00719 2.04086 1.98725 1.97109 1.80087 1.77578 1.96622 1.78161 2.20786 2.21146 assign (resid 742 and name HN) (resid 738 and name O) 1.936240 0.184506 0.184506 !Samplesize=10 P_HB=1.00 stddev=0.09225 cdev=0.09481 KST=0.47691 !HBOND angle=18.06 +-2.57 !Values: 2.04917 2.02367 1.80446 1.81510 2.00414 1.99017 1.82057 1.98908 1.94799 1.91806 assign (resid 743 and name HN) (resid 738 and name O) 3.351200 0.233633 0.233633 !Samplesize=10 P_HB=1.00 stddev=0.11682 cdev=0.12005 KST=0.56134 !HBOND angle=26.70 +-1.13 !Values: 3.41141 3.45450 3.19994 3.17016 3.39051 3.47410 3.19128 3.43724 3.38984 3.39302 assign (resid 743 and name HN) (resid 739 and name O) 2.416197 0.052349 0.052349 !Samplesize=10 P_HB=1.00 stddev=0.02617 cdev=0.02690 KST=0.84659 !HBOND angle=32.51 +-0.84 !Values: 2.42774 2.41933 2.42603 2.42949 2.34245 2.42362 2.42848 2.41924 2.42479 2.42081 assign (resid 744 and name HN) (resid 740 and name O) 1.994292 0.106160 0.106160 !Samplesize=10 P_HB=1.00 stddev=0.05308 cdev=0.05455 KST=0.37829 !HBOND angle=5.24 +-2.13 !Values: 2.04679 1.95405 2.02205 1.95770 2.00484 2.03971 1.98673 2.07894 1.91698 1.93515 assign (resid 745 and name HN) (resid 741 and name O) 2.781573 0.113832 0.113832 !Samplesize=10 P_HB=1.00 stddev=0.05692 cdev=0.05849 KST=0.41772 !HBOND angle=30.35 +-1.13 !Values: 2.68205 2.81205 2.81631 2.74591 2.76837 2.81016 2.76441 2.73234 2.79300 2.89113 assign (resid 746 and name HN) (resid 744 and name O) 2.526311 0.092005 0.092005 !Samplesize=10 P_HB=1.00 stddev=0.04600 cdev=0.04728 KST=0.44391 !HBOND angle=30.41 +-1.03 !Values: 2.53823 2.47190 2.54477 2.56157 2.56081 2.45107 2.56933 2.57206 2.46661 2.52676 assign (resid 749 and name HN) (resid 746 and name O) 2.232729 0.065621 0.065621 !Samplesize=10 P_HB=1.00 stddev=0.03281 cdev=0.03372 KST=0.27664 !HBOND angle=18.07 +-1.81 !Values: 2.19381 2.27282 2.27297 2.21889 2.23165 2.27494 2.24335 2.18586 2.22477 2.20823 assign (resid 750 and name HN) (resid 745 and name O) 2.778858 0.102841 0.102841 !Samplesize=10 P_HB=1.00 stddev=0.05142 cdev=0.05284 KST=0.34241 !HBOND angle=14.77 +-1.34 !Values: 2.79238 2.73963 2.70587 2.74577 2.77934 2.86146 2.72569 2.80219 2.85258 2.78367 assign (resid 757 and name HN) (resid 753 and name O) 2.553184 0.020283 0.020283 !Samplesize=10 P_HB=1.00 stddev=0.01014 cdev=0.01042 KST=1.05850 !HBOND angle=24.33 +-4.00 !Values: 2.54762 2.55235 2.55197 2.55167 2.54932 2.58130 2.55233 2.54637 2.55172 2.54721 assign (resid 758 and name HN) (resid 754 and name O) 2.462785 0.119051 0.119051 !Samplesize=10 P_HB=1.00 stddev=0.05953 cdev=0.06117 KST=0.36369 !HBOND angle=30.78 +-0.95 !Values: 2.41907 2.48128 2.51081 2.51677 2.50174 2.36926 2.52480 2.44992 2.36549 2.48871 assign (resid 759 and name HN) (resid 756 and name O) 1.888455 0.238455 0.269053 !Samplesize=10 P_HB=1.00 stddev=0.13453 cdev=0.13825 KST=0.56008 !HBOND angle=19.94 +-2.33 !Values: 1.84414 2.22836 1.95277 1.90472 1.80932 1.79208 1.93100 1.84177 1.75758 1.82281 assign (resid 760 and name HN) (resid 756 and name O) 3.458691 0.035588 0.035588 !Samplesize=10 P_HB=1.00 stddev=0.01779 cdev=0.01829 KST=0.43243 !HBOND angle=30.26 +-2.08 !Values: 3.46641 3.45496 3.43266 3.43806 3.46635 3.46554 3.43479 3.47633 3.48270 3.46912 assign (resid 761 and name HN) (resid 757 and name O) 1.989255 0.099960 0.099960 !Samplesize=10 P_HB=1.00 stddev=0.04998 cdev=0.05136 KST=0.25961 !HBOND angle=21.70 +-3.15 !Values: 1.90899 2.05452 2.02976 1.99166 1.95813 1.97298 1.98441 1.92340 2.04971 2.01899 assign (resid 762 and name HN) (resid 758 and name O) 1.825547 0.175547 0.197668 !Samplesize=10 P_HB=1.00 stddev=0.09883 cdev=0.10157 KST=0.37368 !HBOND angle=25.59 +-3.46 !Values: 1.87101 1.79565 1.71055 1.67385 1.93911 1.85976 1.72190 1.92014 1.81601 1.94749 assign (resid 762 and name HN) (resid 759 and name O) 3.150701 0.367679 0.367679 !Samplesize=10 P_HB=1.00 stddev=0.18384 cdev=0.18893 KST=0.26511 !HBOND angle=30.63 +-2.08 !Values: 3.13909 2.76355 3.28428 3.37773 3.06557 3.22108 3.37045 3.12631 3.16173 2.99722 assign (resid 763 and name HN) (resid 758 and name O) 3.299435 0.242073 0.242073 !Samplesize=6 P_HB=0.60 stddev=0.12104 cdev=0.12439 KST=0.85471 !HBOND angle=31.93 +-2.31 !Values: 3.35715 3.22809 3.15201 3.42466 3.20166 3.43304 assign (resid 763 and name HN) (resid 759 and name O) 2.445596 0.312455 0.312455 !Samplesize=10 P_HB=1.00 stddev=0.15623 cdev=0.16055 KST=0.52169 !HBOND angle=29.60 +-4.84 !Values: 2.53738 2.02275 2.46397 2.46221 2.44835 2.56976 2.53526 2.51365 2.49411 2.40853 assign (resid 770 and name HN) (resid 736 and name O) 2.037218 0.064266 0.064266 !Samplesize=10 P_HB=1.00 stddev=0.03213 cdev=0.03302 KST=0.48037 !HBOND angle=19.53 +-1.25 !Values: 2.01683 1.95650 2.03231 2.06250 2.05206 2.05527 2.04208 2.05627 2.03368 2.06467 assign (resid 772 and name HN) (resid 734 and name O) 1.668589 0.018589 0.063889 !Samplesize=10 P_HB=1.00 stddev=0.03194 cdev=0.03283 KST=0.70348 !HBOND angle=19.22 +-2.51 !Values: 1.65893 1.70143 1.66661 1.65865 1.66957 1.64381 1.66189 1.63004 1.74272 1.65223 assign (resid 773 and name HN) (resid 734 and name O) 3.375974 0.097955 0.097955 !Samplesize=9 P_HB=0.90 stddev=0.04898 cdev=0.05033 KST=0.44003 !HBOND angle=22.63 +-1.19 !Values: 3.32792 3.34899 3.32313 3.41379 3.35821 3.44849 3.41443 3.42377 3.32505 assign (resid 774 and name HN) (resid 771 and name O) 1.650000 0.000000 0.027977 !Samplesize=9 P_HB=0.90 stddev=0.01399 cdev=0.01438 KST=1.23172 !HBOND angle=25.21 +-1.54 !Values: 1.62173 1.62580 1.62536 1.62747 1.60608 1.64392 1.65437 1.63177 1.63961 assign (resid 775 and name HN) (resid 772 and name O) 2.619792 0.271349 0.271349 !Samplesize=10 P_HB=1.00 stddev=0.13567 cdev=0.13943 KST=0.33658 !HBOND angle=22.18 +-4.69 !Values: 2.78896 2.58347 2.60696 2.66916 2.51091 2.46118 2.71822 2.45105 2.85194 2.55606 assign (resid 776 and name HN) (resid 773 and name O) 2.595698 0.333882 0.333882 !Samplesize=10 P_HB=1.00 stddev=0.16694 cdev=0.17156 KST=0.64754 !HBOND angle=25.88 +-3.34 !Values: 2.66493 2.64951 2.68289 2.71048 2.59160 2.58097 2.65683 2.61288 2.13496 2.67194 assign (resid 778 and name HN) (resid 775 and name O) 2.730011 0.267652 0.267652 !Samplesize=10 P_HB=1.00 stddev=0.13383 cdev=0.13753 KST=0.89596 !HBOND angle=17.70 +-2.13 !Values: 2.80742 2.79802 2.75241 2.76389 2.77109 2.76338 2.76941 2.75986 2.35235 2.76229 assign (resid 783 and name HN) (resid 780 and name O) 3.225330 0.164978 0.164978 !Samplesize=9 P_HB=0.90 stddev=0.08249 cdev=0.08477 KST=0.22677 !HBOND angle=32.57 +-0.55 !Values: 3.07988 3.21461 3.13928 3.34720 3.24172 3.27727 3.28606 3.17508 3.26688 assign (resid 785 and name HN) (resid 782 and name O) 2.359815 0.094090 0.094090 !Samplesize=6 P_HB=0.60 stddev=0.04704 cdev=0.04835 KST=0.73350 !HBOND angle=17.53 +-1.97 !Values: 2.33901 2.38275 2.36025 2.40724 2.39230 2.27734 assign (resid 793 and name HN) (resid 791 and name O) 1.796512 0.055684 0.055684 !Samplesize=6 P_HB=0.60 stddev=0.02784 cdev=0.02861 KST=0.80669 !HBOND angle=29.52 +-3.77 !Values: 1.82307 1.79534 1.82907 1.79696 1.78153 1.75310