NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
12103 |
1sjr   |
6177 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!Distance restraints below assign (resid 41 and name HA ) (resid 42 and name HN ) 4.22352 2.32352 0.00 ! 1.22642 N assign (resid 41 and name HB+ ) (resid 41 and name HA ) 2.58871 0.688707 0.00 ! 1.27526 C assign (resid 41 and name HB+ ) (resid 42 and name HN ) 5.45176 3.55176 0.00 ! 0.50965 N assign (resid 42 and name HA+ ) (resid 42 and name HN ) 4.63905 2.73905 0.00 ! 0.88806 N assign (resid 43 and name HG+ ) (resid 43 and name HB+ ) 2.50 0.60 0.00 ! 3.05 C assign (resid 43 and name HA ) (resid 43 and name HG+ ) 3.71859 1.81859 0.00 ! 0.52318 C assign (resid 43 and name HA ) (resid 44 and name HN ) 2.72691 0.826905 0.00 ! 5.52401 N assign (resid 43 and name HB+ ) (resid 43 and name HA ) 2.52946 0.629461 0.00 ! 1.35 C assign (resid 43 and name HB+ ) (resid 43 and name HN ) 3.62149 1.72149 0.00 ! 2.08156 N assign (resid 43 and name HB+ ) (resid 44 and name HN ) 4.52638 2.62638 0.00 ! 0.96644 N assign (resid 43 and name HG+ ) (resid 43 and name HN ) 4.4939 2.5939 0.00 ! 0.99068 N assign (resid 43 and name HG+ ) (resid 44 and name HN ) 4.11463 2.21463 0.00 ! 1.34172 N assign (resid 44 and name HA ) (resid 44 and name HB+ ) 2.65352 0.753516 0.00 ! 1.2 C assign (resid 44 and name HA ) (resid 44 and name HN ) 4.13321 2.23321 0.00 ! 1.32108 N assign (resid 44 and name HN ) (resid 44 and name HB+ ) 2.80153 0.901533 0.00 ! 1.05 C assign (resid 44 and name HA ) (resid 45 and name HD+ ) 2.50 0.60 0.00 ! 1.76 C assign (resid 44 and name HB+ ) (resid 46 and name HN ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 44 and name HB+ ) (resid 120 and name HD+ ) 4.72552 2.82552 0.00 ! 0.87048 A assign (resid 44 and name HB+ ) (resid 120 and name HE+ ) 5.50 3.60 0.00 ! 0.51622 A assign (resid 45 and name HB+ ) (resid 45 and name HA ) 3.85111 1.95111 0.00 ! 0.48 C assign (resid 45 and name HB+ ) (resid 94 and name HD+ ) 4.43062 2.53062 0.00 ! 0.34 C assign (resid 45 and name HB+ ) (resid 94 and name HA ) 3.56596 1.66596 0.00 ! 0.58 C assign (resid 45 and name HB+ ) (resid 46 and name HG2+ ) 5.50 3.60 0.00 ! 0.19500 C assign (resid 45 and name HG+ ) (resid 46 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 45 and name HD+ ) (resid 46 and name HG2+ ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 45 and name HD+ ) (resid 46 and name HN ) 4.66188 2.76188 0.00 ! 0.3 C assign (resid 45 and name HG+ ) (resid 46 and name HG2+ ) 3.44809 1.54809 0.00 ! 0.63 C assign (resid 46 and name HA ) (resid 90 and name HB+ ) 4.14738 2.24738 0.00 ! 0.40 C assign (resid 46 and name HN ) (resid 46 and name HA ) 3.62735 1.72735 0.00 ! 2.07 N assign (resid 46 and name HA ) (resid 47 and name HN ) 2.66013 0.760133 0.00 ! 1.19267 C assign (resid 46 and name HB ) (resid 126 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 46 and name HA ) (resid 46 and name HB ) 5.50 3.60 0.00 ! 0.24925 C assign (resid 46 and name HB ) (resid 46 and name HN ) 2.97149 1.07149 0.00 ! 4.11083 N assign (resid 46 and name HG2+ ) (resid 90 and name HG+ ) 3.08251 1.18251 0.00 ! 0.83 C assign (resid 46 and name HB ) (resid 121 and name HB+ ) 3.72282 1.82282 0.00 ! 0.52172 C assign (resid 46 and name HG2+ ) (resid 120 and name HD+ ) 5.50 3.60 0.00 ! 0.00000 A assign (resid 46 and name HG2+ ) (resid 121 and name HB+ ) 4.72658 2.82658 0.00 ! 0.29 C assign (resid 46 and name HG2+ ) (resid 124 and name HA ) 3.29178 1.39178 0.00 ! 0.70616 C assign (resid 46 and name HG2+ ) (resid 124 and name HB ) 5.50 3.60 0.00 ! 0.15313 C assign (resid 46 and name HG2+ ) (resid 125 and name HA ) 3.19285 1.29285 0.00 ! 0.76121 C assign (resid 46 and name HG2+ ) (resid 125 and name HN ) 3.6216 1.7216 0.00 ! 2.08133 N assign (resid 46 and name HG2+ ) (resid 126 and name HN ) 4.17055 2.27055 0.00 ! 1.28084 N assign (resid 46 and name HG2+ ) (resid 126 and name HD++ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 46 and name HG2+ ) (resid 126 and name HG ) 4.29402 2.39402 0.00 ! 0.36723 C assign (resid 46 and name HG2+ ) (resid 46 and name HA ) 3.59126 1.69126 0.00 ! 0.57 C assign (resid 46 and name HG1+ ) (resid 46 and name HA ) 3.72782 1.82782 0.00 ! 0.52 C assign (resid 46 and name HG2+ ) (resid 46 and name HN ) 2.91334 1.01334 0.00 ! 4.4 N assign (resid 46 and name HG1+ ) (resid 46 and name HN ) 4.00685 2.10685 0.00 ! 1.47 N assign (resid 46 and name HG2+ ) (resid 47 and name HN ) 5.50 3.60 0.00 ! 0.21528 C assign (resid 46 and name HG2+ ) (resid 90 and name HA ) 3.69907 1.79907 0.00 ! 0.53 C assign (resid 46 and name HG1+ ) (resid 90 and name HA ) 4.66188 2.76188 0.00 ! 0.30 C assign (resid 46 and name HG2+ ) (resid 90 and name HB+ ) 3.88421 1.98421 0.00 ! 0.47 C assign (resid 46 and name HG2+ ) (resid 91 and name HN ) 4.5479 2.6479 0.00 ! 0.95080 N assign (resid 46 and name HG1+ ) (resid 89 and name HN ) 3.39519 1.49519 0.00 ! 2.59889 N assign (resid 46 and name HB ) (resid 90 and name HE2+ ) 4.37081 2.47081 0.00 ! 1.09 N assign (resid 47 and name HN ) (resid 47 and name HA ) 4.616 2.716 0.00 ! 0.30739 C assign (resid 47 and name HN ) (resid 47 and name HG ) 4.68309 2.78309 0.00 ! 0.29667 C assign (resid 47 and name HA ) (resid 47 and name HB1 ) 3.67107 1.77107 0.00 ! 0.54 C assign (resid 47 and name HA ) (resid 120 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 47 and name HA ) (resid 121 and name HN ) 3.65041 1.75041 0.00 ! 2.02537 N assign (resid 47 and name HA ) (resid 48 and name HN ) 2.50 0.60 0.00 ! 7.68610 N assign (resid 47 and name HB1 ) (resid 47 and name HN ) 3.70286 1.80286 0.00 ! 1.92837 N assign (resid 47 and name HD++ ) (resid 47 and name HA ) 2.70457 0.804571 0.00 ! 1.14504 C assign (resid 47 and name HB1 ) (resid 48 and name HN ) 3.45478 1.55478 0.00 ! 2.44789 N assign (resid 47 and name HB2 ) (resid 49 and name HD1+ ) 5.50 3.60 0.00 ! 0.23 C assign (resid 47 and name HD++ ) (resid 120 and name HA ) 4.41839 2.51839 0.00 ! 0.34232 C assign (resid 47 and name HD++ ) (resid 120 and name HD+ ) 3.31678 1.41678 0.00 ! 2.07942 A assign (resid 47 and name HD++ ) (resid 120 and name HE+ ) 4.40904 2.50904 0.00 ! 1.03233 A assign (resid 47 and name HD++ ) (resid 120 and name HZ ) 5.50 3.60 0.00 ! 0.00000 A assign (resid 47 and name HD++ ) (resid 121 and name HN ) 4.28982 2.38982 0.00 ! 1.16244 N assign (resid 47 and name HD++ ) (resid 48 and name HN ) 4.06593 2.16593 0.00 ! 0.42000 C assign (resid 47 and name HD++ ) (resid 49 and name HD1+ ) 5.50 3.60 0.00 ! 0.24510 C assign (resid 47 and name HD++ ) (resid 67 and name HD+ ) 4.76296 2.86296 0.00 ! 0.28458 C assign (resid 47 and name HD++ ) (resid 89 and name HD++ ) 3.30071 1.40071 0.00 ! 0.70147 C assign (resid 47 and name HD++ ) (resid 91 and name HE+ ) 2.97713 1.07713 0.00 ! 0.90415 C assign (resid 47 and name HD++ ) (resid 97 and name HA ) 3.05282 1.15282 0.00 ! 0.85000 C assign (resid 47 and name HD++ ) (resid 97 and name HB+ ) 2.50 0.60 0.00 ! 1.45271 C assign (resid 47 and name HN ) (resid 47 and name HD++ ) 3.83605 1.93605 0.00 ! 0.48465 C assign (resid 47 and name HN ) (resid 89 and name HD11 ) 5.15317 3.25317 0.00 ! 0.61862 N assign (resid 47 and name HN ) (resid 89 and name HD++ ) 5.15317 3.25317 0.00 ! 0.61862 N assign (resid 47 and name HN ) (resid 89 and name HN ) 3.61117 1.71117 0.00 ! 2.10209 N assign (resid 48 and name HA ) (resid 48 and name HG+ ) 2.94321 1.04321 0.00 ! 0.93 C assign (resid 48 and name HA ) (resid 49 and name HN ) 2.7422 0.842203 0.00 ! 5.41872 N assign (resid 48 and name HA ) (resid 49 and name HD1+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 48 and name HA ) (resid 87 and name HN ) 5.22619 3.32619 0.00 ! 0.58939 N assign (resid 48 and name HA ) (resid 88 and name HA ) 3.63518 1.73518 0.00 ! 0.55321 C assign (resid 48 and name HA ) (resid 88 and name HD++ ) 2.84226 0.942264 0.00 ! 1.01337 C assign (resid 48 and name HA ) (resid 89 and name HN ) 5.24095 3.34095 0.00 ! 0.58370 N assign (resid 48 and name HN ) (resid 120 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 48 and name HB1 ) (resid 48 and name HN ) 3.08835 1.18835 0.00 ! 3.6 N assign (resid 48 and name HG+ ) (resid 49 and name HN ) 3.95348 2.05348 0.00 ! 0.45 C assign (resid 48 and name HD+ ) (resid 48 and name HN ) 5.30796 3.40796 0.00 ! 0.55874 N assign (resid 48 and name HD+ ) (resid 48 and name HB1 ) 4.02722 2.12722 0.00 ! 0.43 C assign (resid 48 and name HD+ ) (resid 50 and name HD1+ ) 4.83259 2.93259 0.00 ! 0.27460 C assign (resid 48 and name HD+ ) (resid 50 and name HG1+ ) 4.66188 2.76188 0.00 ! 0.3 C assign (resid 48 and name HA ) (resid 48 and name HB1 ) 3.81897 1.91897 0.00 ! 0.49 C assign (resid 48 and name HD+ ) (resid 49 and name HN ) 5.45944 3.55944 0.00 ! 0.50719 N assign (resid 48 and name HN ) (resid 121 and name HB+ ) 4.85587 2.95587 0.00 ! 0.75893 N assign (resid 48 and name HN ) (resid 121 and name HN ) 4.30411 2.40411 0.00 ! 1.14921 N assign (resid 48 and name HN ) (resid 49 and name HN ) 5.24844 3.34844 0.00 ! 0.58084 N assign (resid 48 and name HN ) (resid 88 and name HA ) 4.96303 3.06303 0.00 ! 0.70403 N assign (resid 48 and name HB1 ) (resid 119 and name HB+ ) 4.66188 2.76188 0.00 ! 0.3 C assign (resid 48 and name HB2 ) (resid 121 and name HB+ ) 4.43062 2.53062 0.00 ! 0.34 C assign (resid 49 and name HB ) (resid 49 and name HG2+ ) 2.5591 0.659101 0.00 ! 1.31186 C assign (resid 49 and name HB ) (resid 49 and name HN ) 3.26241 1.36241 0.00 ! 2.98116 N assign (resid 49 and name HN ) (resid 49 and name HG1+ ) 4.22857 2.32857 0.00 ! 0.38137 C assign (resid 49 and name HB ) (resid 87 and name HB+ ) 2.71576 0.81576 0.00 ! 1.13347 C assign (resid 49 and name HD1+ ) (resid 116 and name HB+ ) 5.50 3.60 0.00 ! 0.16335 C assign (resid 49 and name HD1+ ) (resid 118 and name HD1+ ) 5.50 3.60 0.00 ! 0.21424 C assign (resid 49 and name HD1+ ) (resid 118 and name HG2+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 49 and name HD1+ ) (resid 49 and name HG2+ ) 2.50 0.60 0.00 ! 1.64666 C assign (resid 49 and name HD1+ ) (resid 49 and name HN ) 4.71595 2.81595 0.00 ! 0.83923 N assign (resid 49 and name HD1+ ) (resid 49 and name HB ) 3.22869 1.32869 0.00 ! 0.74059 C assign (resid 49 and name HD1+ ) (resid 63 and name HD++ ) 4.29292 2.39292 0.00 ! 0.36746 C assign (resid 49 and name HD1+ ) (resid 66 and name HG2+ ) 3.77688 1.87688 0.00 ! 0.50354 C assign (resid 49 and name HD1+ ) (resid 67 and name HE+ ) 4.89356 2.99356 0.00 ! 0.26626 C assign (resid 49 and name HD1+ ) (resid 89 and name HB+ ) 3.30352 1.40352 0.00 ! 0.70000 C assign (resid 49 and name HD1+ ) (resid 89 and name HD++ ) 2.50 0.60 0.00 ! 2.4 C assign (resid 49 and name HD1+ ) (resid 89 and name HN ) 5.50 3.60 0.00 ! 0.22921 C assign (resid 49 and name HG2+ ) (resid 116 and name HB+ ) 5.50 3.60 0.00 ! 0 C assign (resid 49 and name HG2+ ) (resid 50 and name HN ) 3.53165 1.63165 0.00 ! 0.59396 C assign (resid 49 and name HG2+ ) (resid 89 and name HD++ ) 5.50 3.60 0.00 ! 0.23137 C assign (resid 49 and name HG2+ ) (resid 87 and name HN ) 4.1232 2.2232 0.00 ! 1.33215 N assign (resid 49 and name HG2+ ) (resid 116 and name HA ) 5.50 3.60 0.00 ! 0.15011 C assign (resid 49 and name HG2+ ) (resid 118 and name HA ) 3.59126 1.69126 0.00 ! 0.57 C assign (resid 49 and name HN ) (resid 49 and name HG2+ ) 4.51614 2.61614 0.00 ! 0.32438 C assign (resid 49 and name HN ) (resid 87 and name HB+ ) 3.91295 2.01295 0.00 ! 1.59494 N assign (resid 49 and name HN ) (resid 87 and name HN ) 3.67156 1.77156 0.00 ! 1.98551 N assign (resid 49 and name HN ) (resid 88 and name HA ) 5.21646 3.31646 0.00 ! 0.59318 N assign (resid 49 and name HN ) (resid 88 and name HD++ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 50 and name HA ) (resid 86 and name HA ) 2.9986 1.0986 0.00 ! 0.88831 C assign (resid 50 and name HB ) (resid 50 and name HN ) 3.55777 1.65777 0.00 ! 2.21262 N assign (resid 50 and name HB ) (resid 51 and name HN ) 5.00111 3.10111 0.00 ! 0.68576 N assign (resid 50 and name HG2+ ) (resid 51 and name HA ) 4.73322 2.83322 0.00 ! 0.28900 C assign (resid 50 and name HG2+ ) (resid 51 and name HN ) 3.00551 1.10551 0.00 ! 3.95293 N assign (resid 50 and name HG2+ ) (resid 52 and name HG+ ) 3.26591 1.36591 0.00 ! 0.72 C assign (resid 50 and name HG2+ ) (resid 86 and name HA ) 4.88195 2.98195 0.00 ! 0.26782 C assign (resid 50 and name HN ) (resid 117 and name HB+ ) 4.54117 2.64117 0.00 ! 0.32 C assign (resid 50 and name HN ) (resid 117 and name HN ) 4.00556 2.10556 0.00 ! 1.47163 N assign (resid 50 and name HB ) (resid 117 and name HN ) 5.50 3.60 0.00 ! 0.17630 C assign (resid 50 and name HD1+ ) (resid 117 and name HB+ ) 4.79448 2.89448 0.00 ! 0.28 C assign (resid 50 and name HN ) (resid 118 and name HA ) 4.83605 2.93605 0.00 ! 0.76968 N assign (resid 50 and name HN ) (resid 50 and name HG1+ ) 3.72782 1.82782 0.00 ! 0.52 C assign (resid 50 and name HN ) (resid 50 and name HG2+ ) 4.54765 2.64765 0.00 ! 0.31888 C assign (resid 50 and name HN ) (resid 50 and name HD1+ ) 5.50 3.60 0.00 ! 0.17255 C assign (resid 50 and name HD1+ ) (resid 86 and name HE2+ ) 4.41857 2.51857 0.00 ! 1.05 N assign (resid 51 and name HA ) (resid 52 and name HB+ ) 5.50 3.60 0.00 ! 0.17196 C assign (resid 51 and name HA ) (resid 117 and name HN ) 4.34133 2.44133 0.00 ! 1.11567 N assign (resid 51 and name HA ) (resid 51 and name HG++ ) 2.74418 0.84418 0.00 ! 1.10481 C assign (resid 51 and name HA ) (resid 51 and name HN ) 3.97293 2.07293 0.00 ! 1.51363 N assign (resid 51 and name HN ) (resid 51 and name HB ) 3.66314 1.76314 0.00 ! 0.54288 C assign (resid 51 and name HN ) (resid 51 and name HG++ ) 2.77644 0.876438 0.00 ! 1.07350 C assign (resid 51 and name HA ) (resid 52 and name HN ) 2.95198 1.05198 0.00 ! 4.20505 N assign (resid 51 and name HB ) (resid 51 and name HA ) 4.01907 2.11907 0.00 ! 0.43215 C assign (resid 51 and name HG++ ) (resid 86 and name HA ) 5.50 3.60 0.00 ! 0.17 C assign (resid 51 and name HG++ ) (resid 85 and name HN ) 4.50961 2.60961 0.00 ! 0.97886 N assign (resid 51 and name HG++ ) (resid 85 and name HB+ ) 5.50 3.60 0.00 ! 0.23864 C assign (resid 51 and name HN ) (resid 52 and name HN ) 4.58117 2.68117 0.00 ! 0.92726 N assign (resid 51 and name HN ) (resid 85 and name HB+ ) 4.66438 2.76438 0.00 ! 0.87158 N assign (resid 51 and name HN ) (resid 85 and name HD+ ) 5.50 3.60 0.00 ! 0.19887 C assign (resid 51 and name HN ) (resid 86 and name HA ) 4.76664 2.86664 0.00 ! 0.28404 C assign (resid 52 and name HA ) (resid 52 and name HG+ ) 3.47059 1.57059 0.00 ! 0.62 C assign (resid 52 and name HA ) (resid 53 and name HN ) 3.60599 1.70599 0.00 ! 2.11249 N assign (resid 52 and name HB+ ) (resid 52 and name HN ) 3.77776 1.87776 0.00 ! 1.8 N assign (resid 52 and name HB+ ) (resid 53 and name HN ) 4.54939 2.64939 0.00 ! 0.94973 N assign (resid 52 and name HB+ ) (resid 115 and name HB ) 3.09773 1.19773 0.00 ! 0.82 C assign (resid 52 and name HG+ ) (resid 53 and name HN ) 4.69106 2.79106 0.00 ! 0.85465 N assign (resid 52 and name HG+ ) (resid 115 and name HB ) 5.50 3.60 0.00 ! 0.17846 C assign (resid 52 and name HG+ ) (resid 117 and name HG+ ) 4.66188 2.76188 0.00 ! 0.3 C assign (resid 52 and name HN ) (resid 114 and name HA ) 5.50 3.60 0.00 ! 0.20681 C assign (resid 52 and name HN ) (resid 115 and name HN ) 4.74535 2.84535 0.00 ! 0.82148 N assign (resid 52 and name HN ) (resid 115 and name HB ) 4.63048 2.73048 0.00 ! 0.30503 C assign (resid 52 and name HN ) (resid 52 and name HG+ ) 3.85111 1.95111 0.00 ! 0.48 C assign (resid 53 and name HA ) (resid 53 and name HN ) 3.21171 1.31171 0.00 ! 3.14621 N assign (resid 53 and name HA ) (resid 54 and name HN ) 3.34816 1.44816 0.00 ! 2.72664 N assign (resid 53 and name HB2 ) (resid 115 and name HN ) 4.91104 3.01104 0.00 ! 0.73 N assign (resid 53 and name HB1 ) (resid 53 and name HA ) 3.34268 1.44268 0.00 ! 0.68 C assign (resid 53 and name HN ) (resid 54 and name HN ) 4.11998 2.21998 0.00 ! 1.33574 N assign (resid 53 and name HB2 ) (resid 53 and name HD2+ ) 3.22555 1.32555 0.00 ! 3.10 N assign (resid 53 and name HB2 ) (resid 114 and name HN ) 4.16192 2.26192 0.00 ! 1.29000 N assign (resid 53 and name HD2+ ) (resid 115 and name HB ) 4.28174 2.38174 0.00 ! 1.17 N assign (resid 54 and name HA ) (resid 54 and name HB+ ) 3.3229 1.4229 0.00 ! 0.69 C assign (resid 54 and name HA ) (resid 54 and name HG ) 4.26531 2.36531 0.00 ! 0.37334 C assign (resid 54 and name HG ) (resid 54 and name HB+ ) 3.02409 1.12409 0.00 ! 0.87 C assign (resid 54 and name HD++ ) (resid 54 and name HA ) 4.04797 2.14797 0.00 ! 0.42460 C assign (resid 54 and name HD++ ) (resid 54 and name HB+ ) 2.50 0.60 0.00 ! 1.87 C assign (resid 54 and name HA ) (resid 55 and name HN ) 3.29334 1.39334 0.00 ! 2.88597 N assign (resid 54 and name HA ) (resid 56 and name HN ) 5.50 3.60 0.00 ! 0.15769 C assign (resid 54 and name HB+ ) (resid 54 and name HN ) 2.8087 0.908701 0.00 ! 4.99 N assign (resid 54 and name HB+ ) (resid 55 and name HN ) 5.38921 3.48921 0.00 ! 0.53029 N assign (resid 54 and name HD++ ) (resid 54 and name HN ) 4.64608 2.74608 0.00 ! 0.88345 N assign (resid 54 and name HD++ ) (resid 55 and name HN ) 4.94429 3.04429 0.00 ! 0.71325 N assign (resid 54 and name HG ) (resid 54 and name HN ) 4.99112 3.09112 0.00 ! 0.69049 N assign (resid 54 and name HN ) (resid 55 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 55 and name HB+ ) (resid 55 and name HN ) 3.34696 1.44696 0.00 ! 2.73 N assign (resid 55 and name HB+ ) (resid 56 and name HN ) 4.11616 2.21616 0.00 ! 1.34 N assign (resid 55 and name HN ) (resid 56 and name HN ) 3.5561 1.6561 0.00 ! 2.21620 N assign (resid 55 and name HD+ ) (resid 113 and name HB+ ) 4.14738 2.24738 0.00 ! 0.40 C assign (resid 56 and name HB+ ) (resid 56 and name HN ) 3.83451 1.93451 0.00 ! 1.71 N assign (resid 56 and name HB+ ) (resid 57 and name HD+ ) 2.50 0.60 0.00 ! 1.56 C assign (resid 56 and name HB+ ) (resid 110 and name HD+ ) 4.32413 2.42413 0.00 ! 1.08291 A assign (resid 56 and name HD+ ) (resid 57 and name HD+ ) 4.66188 2.76188 0.00 ! 0.3 C assign (resid 57 and name HA ) (resid 58 and name HN ) 2.78225 0.882253 0.00 ! 5.15508 N assign (resid 57 and name HB+ ) (resid 57 and name HA ) 2.50 0.60 0.00 ! 1.46 C assign (resid 57 and name HB+ ) (resid 58 and name HN ) 4.81677 2.91677 0.00 ! 0.78033 N assign (resid 58 and name HA ) (resid 59 and name HG2+ ) 2.66852 0.76852 0.00 ! 1.18347 C assign (resid 58 and name HA ) (resid 59 and name HN ) 2.59439 0.694387 0.00 ! 6.55662 N assign (resid 58 and name HA ) (resid 62 and name HG++ ) 3.56596 1.66596 0.00 ! 0.58 C assign (resid 58 and name HB ) (resid 58 and name HA ) 4.25044 2.35044 0.00 ! 0.37656 C assign (resid 58 and name HB ) (resid 58 and name HN ) 3.67433 1.77433 0.00 ! 1.98037 N assign (resid 58 and name HB ) (resid 59 and name HN ) 5.27237 3.37237 0.00 ! 0.57182 N assign (resid 58 and name HG++ ) (resid 58 and name HA ) 2.50 0.60 0.00 ! 2.36 C assign (resid 58 and name HG++ ) (resid 59 and name HN ) 3.53624 1.63624 0.00 ! 2.25931 N assign (resid 58 and name HG++ ) (resid 109 and name HG2+ ) 4.37142 2.47142 0.00 ! 0.35144 C assign (resid 58 and name HG++ ) (resid 114 and name HB+ ) 3.54127 1.64127 0.00 ! 0.59 C assign (resid 58 and name HG++ ) (resid 58 and name HN ) 3.80517 1.90517 0.00 ! 1.75579 N assign (resid 58 and name HG++ ) (resid 62 and name HG++ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 58 and name HG++ ) (resid 62 and name HB ) 4.97007 3.07007 0.00 ! 0.25629 C assign (resid 58 and name HN ) (resid 58 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 59 and name HB ) (resid 60 and name HN ) 5.50 3.60 0.00 ! 0.24453 C assign (resid 59 and name HG21 ) (resid 60 and name HN ) 4.06804 2.16804 0.00 ! 1.39532 N assign (resid 59 and name HG2+ ) (resid 60 and name HN ) 4.06804 2.16804 0.00 ! 1.39532 N assign (resid 59 and name HN ) (resid 59 and name HG2+ ) 2.73188 0.831877 0.00 ! 1.11709 C assign (resid 59 and name HN ) (resid 60 and name HN ) 5.22851 3.32851 0.00 ! 0.58849 N assign (resid 59 and name HN ) (resid 62 and name HB ) 3.37812 1.47812 0.00 ! 2.64435 N assign (resid 59 and name HG2+ ) (resid 62 and name HB ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 59 and name HN ) (resid 62 and name HG++ ) 3.35675 1.45675 0.00 ! 0.67301 C assign (resid 59 and name HN ) (resid 62 and name HN ) 4.31268 2.41268 0.00 ! 1.14138 N assign (resid 59 and name HN ) (resid 63 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 60 and name HA ) (resid 60 and name HN ) 3.46477 1.56477 0.00 ! 2.42370 N assign (resid 60 and name HA ) (resid 60 and name HD++ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 60 and name HA ) (resid 61 and name HN ) 4.56446 2.66446 0.00 ! 0.93899 N assign (resid 60 and name HA ) (resid 62 and name HG++ ) 4.88544 2.98544 0.00 ! 0.26735 C assign (resid 60 and name HA ) (resid 63 and name HB+ ) 2.9827 1.0827 0.00 ! 0.90 C assign (resid 60 and name HA ) (resid 63 and name HN ) 4.7395 2.8395 0.00 ! 0.82497 N assign (resid 60 and name HA ) (resid 63 and name HD++ ) 3.42926 1.52926 0.00 ! 0.63854 C assign (resid 60 and name HA ) (resid 64 and name HN ) 4.75977 2.85977 0.00 ! 0.81295 N assign (resid 60 and name HB2 ) (resid 60 and name HA ) 3.44809 1.54809 0.00 ! 0.63 C assign (resid 60 and name HB2 ) (resid 60 and name HN ) 2.93148 1.03148 0.00 ! 4.30704 N assign (resid 60 and name HB2 ) (resid 61 and name HN ) 3.61298 1.71298 0.00 ! 2.09846 N assign (resid 60 and name HG ) (resid 60 and name HA ) 2.76396 0.863962 0.00 ! 1.08546 C assign (resid 60 and name HN ) (resid 61 and name HN ) 3.37568 1.47568 0.00 ! 2.65093 N assign (resid 60 and name HN ) (resid 62 and name HN ) 5.10859 3.20859 0.00 ! 0.63739 N assign (resid 60 and name HD++ ) (resid 61 and name HN ) 5.50 3.60 0.00 ! 0.20525 C assign (resid 60 and name HD++ ) (resid 60 and name HN ) 5.50 3.60 0.00 ! 0.19230 C assign (resid 61 and name HA ) (resid 61 and name HN ) 3.23444 1.33444 0.00 ! 3.07080 N assign (resid 61 and name HA ) (resid 62 and name HN ) 4.67761 2.77761 0.00 ! 0.86313 N assign (resid 61 and name HA ) (resid 64 and name HB+ ) 3.21216 1.31216 0.00 ! 0.75 C assign (resid 61 and name HA ) (resid 64 and name HN ) 4.41249 2.51249 0.00 ! 1.05499 N assign (resid 61 and name HA ) (resid 65 and name HN ) 4.40348 2.50348 0.00 ! 1.06243 N assign (resid 61 and name HB1 ) (resid 61 and name HA ) 2.69982 0.799823 0.00 ! 1.15 C assign (resid 61 and name HB2 ) (resid 61 and name HN ) 2.94086 1.04086 0.00 ! 4.26 N assign (resid 61 and name HB2 ) (resid 62 and name HN ) 3.4024 1.5024 0.00 ! 2.58 N assign (resid 61 and name HB1 ) (resid 62 and name HG++ ) 5.50 3.60 0.00 ! 0.17229 C assign (resid 61 and name HN ) (resid 62 and name HN ) 3.05391 1.15391 0.00 ! 3.74159 N assign (resid 62 and name HA ) (resid 62 and name HG++ ) 2.50 0.60 0.00 ! 2.67 C assign (resid 62 and name HA ) (resid 62 and name HN ) 3.21113 1.31113 0.00 ! 3.14817 N assign (resid 62 and name HA ) (resid 63 and name HN ) 5.50 3.60 0.00 ! 0.18854 C assign (resid 62 and name HA ) (resid 65 and name HB+ ) 3.09773 1.19773 0.00 ! 0.82 C assign (resid 62 and name HA ) (resid 65 and name HG+ ) 5.50 3.60 0.00 ! 0.18573 C assign (resid 62 and name HA ) (resid 65 and name HN ) 4.66936 2.76936 0.00 ! 0.29882 C assign (resid 62 and name HB ) (resid 62 and name HA ) 3.59799 1.69799 0.00 ! 0.56738 C assign (resid 62 and name HB ) (resid 62 and name HN ) 2.50 0.60 0.00 ! 8.18556 N assign (resid 62 and name HB ) (resid 63 and name HN ) 3.80161 1.90161 0.00 ! 0.49552 C assign (resid 62 and name HG++ ) (resid 109 and name HG2+ ) 2.57671 0.676707 0.00 ! 1.28992 C assign (resid 62 and name HG++ ) (resid 62 and name HA ) 2.50 0.60 0.00 ! 2.68 C assign (resid 62 and name HG++ ) (resid 63 and name HA ) 4.6231 2.7231 0.00 ! 0.30623 C assign (resid 62 and name HG++ ) (resid 63 and name HN ) 3.47059 1.57059 0.00 ! 0.62 C assign (resid 62 and name HG++ ) (resid 65 and name HN ) 5.27933 3.37933 0.00 ! 0.56923 N assign (resid 62 and name HN ) (resid 62 and name HG++ ) 2.50 0.60 0.00 ! 1.53 C assign (resid 62 and name HN ) (resid 63 and name HN ) 3.03253 1.13253 0.00 ! 3.83311 N assign (resid 62 and name HN ) (resid 64 and name HN ) 5.33161 3.43161 0.00 ! 0.55026 N assign (resid 62 and name HG++ ) (resid 65 and name HB+ ) 5.50 3.60 0.00 ! 0.18824 C assign (resid 63 and name HA ) (resid 63 and name HB+ ) 2.73896 0.838957 0.00 ! 1.11 C assign (resid 63 and name HN ) (resid 63 and name HB+ ) 3.08251 1.18251 0.00 ! 0.83 C assign (resid 63 and name HN ) (resid 63 and name HD++ ) 3.30352 1.40352 0.00 ! 0.70 C assign (resid 63 and name HA ) (resid 63 and name HD++ ) 5.50 3.60 0.00 ! 0.23960 C assign (resid 63 and name HA ) (resid 63 and name HG ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 63 and name HA ) (resid 64 and name HN ) 5.05474 3.15474 0.00 ! 0.66105 N assign (resid 63 and name HA ) (resid 66 and name HB ) 4.38571 2.48571 0.00 ! 0.34863 C assign (resid 63 and name HA ) (resid 66 and name HG2+ ) 5.50 3.60 0.00 ! 0.18913 C assign (resid 63 and name HA ) (resid 66 and name HD1+ ) 4.49844 2.59844 0.00 ! 0.32753 C assign (resid 63 and name HA ) (resid 66 and name HN ) 3.82214 1.92214 0.00 ! 1.72912 N assign (resid 63 and name HA ) (resid 67 and name HD+ ) 4.49187 2.59187 0.00 ! 0.32871 C assign (resid 63 and name HA ) (resid 67 and name HE+ ) 5.50 3.60 0.00 ! 0.15020 C assign (resid 63 and name HB+ ) (resid 64 and name HN ) 3.38721 1.48721 0.00 ! 2.62 N assign (resid 63 and name HB+ ) (resid 76 and name HD1+ ) 3.80536 1.90536 0.00 ! 0.49432 C assign (resid 63 and name HG ) (resid 63 and name HN ) 3.2585 1.3585 0.00 ! 2.99349 N assign (resid 63 and name HG ) (resid 76 and name HD1+ ) 4.54852 2.64852 0.00 ! 0.31873 C assign (resid 63 and name HN ) (resid 63 and name HA ) 3.83647 1.93647 0.00 ! 0.48452 C assign (resid 63 and name HN ) (resid 64 and name HN ) 3.50325 1.60325 0.00 ! 2.33334 N assign (resid 63 and name HN ) (resid 65 and name HN ) 5.31227 3.41227 0.00 ! 0.55718 N assign (resid 63 and name HD++ ) (resid 67 and name HD+ ) 3.92429 2.02429 0.00 ! 0.45828 C assign (resid 64 and name HA ) (resid 64 and name HN ) 3.59422 1.69422 0.00 ! 2.13638 N assign (resid 64 and name HA ) (resid 65 and name HN ) 4.32135 2.42135 0.00 ! 1.13352 N assign (resid 64 and name HA ) (resid 67 and name HB2 ) 5.50 3.60 0.00 ! 0.15518 C assign (resid 64 and name HA ) (resid 76 and name HD1+ ) 3.49163 1.59163 0.00 ! 0.61085 C assign (resid 64 and name HA ) (resid 89 and name HD++ ) 5.50 3.60 0.00 ! 0.17816 C assign (resid 64 and name HB+ ) (resid 64 and name HA ) 2.97162 1.07162 0.00 ! 0.90828 C assign (resid 64 and name HB1 ) (resid 65 and name HN ) 4.60016 2.70016 0.00 ! 0.31 C assign (resid 64 and name HN ) (resid 64 and name HB2 ) 4.14738 2.24738 0.00 ! 0.40 C assign (resid 64 and name HB+ ) (resid 64 and name HD2 ) 5.50 3.60 0.00 ! 0.70764 A assign (resid 64 and name HB+ ) (resid 73 and name HG1+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 64 and name HB2 ) (resid 76 and name HD1+ ) 4.86589 2.96589 0.00 ! 0.27 C assign (resid 64 and name HA ) (resid 64 and name HD2 ) 4.82887 2.92887 0.00 ! 0.82536 A assign (resid 64 and name HD2 ) (resid 73 and name HB ) 3.40093 1.50093 0.00 ! 1.95512 A assign (resid 64 and name HD2 ) (resid 73 and name HG2+ ) 5.50 3.60 0.00 ! 0.00 C assign (resid 64 and name HD2 ) (resid 73 and name HG1+ ) 3.42608 1.52608 0.00 ! 0.64 C assign (resid 64 and name HD2 ) (resid 76 and name HD1+ ) 4.99132 3.09132 0.00 ! 0.76084 A assign (resid 64 and name HD2 ) (resid 138 and name HD+ ) 5.50 3.60 0.00 ! 0.46108 A assign (resid 64 and name HD2 ) (resid 138 and name HE+ ) 4.84989 2.94989 0.00 ! 0.81659 A assign (resid 64 and name HN ) (resid 65 and name HN ) 3.18979 1.28979 0.00 ! 3.22120 N assign (resid 65 and name HA ) (resid 65 and name HN ) 3.04853 1.14853 0.00 ! 3.76433 N assign (resid 65 and name HA ) (resid 66 and name HN ) 4.34369 2.44369 0.00 ! 1.11359 N assign (resid 65 and name HB+ ) (resid 66 and name HA ) 5.50 3.60 0.00 ! 0.18298 C assign (resid 65 and name HB+ ) (resid 66 and name HN ) 3.17798 1.27798 0.00 ! 0.77 C assign (resid 65 and name HA ) (resid 65 and name HB+ ) 2.69982 0.799823 0.00 ! 1.15 C assign (resid 65 and name HB+ ) (resid 65 and name HN ) 2.50 0.60 0.00 ! 8.25940 N assign (resid 65 and name HA ) (resid 65 and name HG+ ) 3.75736 1.85736 0.00 ! 0.51 C assign (resid 65 and name HG+ ) (resid 65 and name HN ) 3.5777 1.6777 0.00 ! 2.17052 N assign (resid 65 and name HN ) (resid 66 and name HN ) 3.05799 1.15799 0.00 ! 3.72443 N assign (resid 65 and name HN ) (resid 67 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 66 and name HA ) (resid 66 and name HB ) 4.68881 2.78881 0.00 ! 0.29578 C assign (resid 66 and name HA ) (resid 66 and name HG1+ ) 3.16135 1.26135 0.00 ! 0.78 C assign (resid 66 and name HA ) (resid 66 and name HG2+ ) 2.96228 1.06228 0.00 ! 0.91534 C assign (resid 66 and name HB ) (resid 67 and name HD+ ) 4.62611 2.72611 0.00 ! 0.30574 C assign (resid 66 and name HB ) (resid 67 and name HN ) 3.69595 1.79595 0.00 ! 0.53110 C assign (resid 66 and name HG2+ ) (resid 104 and name HD2+ ) 2.50 0.60 0.00 ! 2.31071 C assign (resid 66 and name HG2+ ) (resid 66 and name HD1+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 66 and name HN ) (resid 66 and name HG1+ ) 2.99628 1.09628 0.00 ! 0.89 C assign (resid 66 and name HG2+ ) (resid 66 and name HN ) 3.88821 1.98821 0.00 ! 1.63012 N assign (resid 66 and name HG2+ ) (resid 67 and name HA ) 4.2836 2.3836 0.00 ! 0.36943 C assign (resid 66 and name HG2+ ) (resid 67 and name HB1 ) 5.50 3.60 0.00 ! 0.18 C assign (resid 66 and name HG2+ ) (resid 67 and name HD+ ) 4.99143 3.09143 0.00 ! 0.25360 C assign (resid 66 and name HG2+ ) (resid 67 and name HE+ ) 3.61719 1.71719 0.00 ! 0.56 C assign (resid 66 and name HG2+ ) (resid 67 and name HN ) 4.33075 2.43075 0.00 ! 1.12508 N assign (resid 66 and name HG2+ ) (resid 68 and name HN ) 4.07066 2.17066 0.00 ! 1.39223 N assign (resid 66 and name HG2+ ) (resid 69 and name HN ) 5.14131 3.24131 0.00 ! 0.62354 N assign (resid 66 and name HG2+ ) (resid 89 and name HD++ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 66 and name HG2+ ) (resid 109 and name HG2+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 66 and name HN ) (resid 66 and name HB ) 3.07523 1.17523 0.00 ! 0.83484 C assign (resid 66 and name HN ) (resid 67 and name HN ) 3.15222 1.25222 0.00 ! 3.35521 N assign (resid 66 and name HD1+ ) (resid 67 and name HA ) 5.50 3.60 0.00 ! 0.20919 C assign (resid 66 and name HD1+ ) (resid 67 and name HE+ ) 5.50 3.60 0.00 ! 0.15742 C assign (resid 66 and name HD1+ ) (resid 104 and name HD++ ) 5.50 3.60 0.00 ! 0.22665 C assign (resid 66 and name HD1+ ) (resid 109 and name HG2+ ) 2.50 0.60 0.00 ! 1.50656 C assign (resid 67 and name HA ) (resid 67 and name HN ) 4.36367 2.46367 0.00 ! 1.09615 N assign (resid 67 and name HA ) (resid 69 and name HN ) 4.61438 2.71438 0.00 ! 0.90450 N assign (resid 67 and name HA ) (resid 70 and name HB1 ) 5.50 3.60 0.00 ! 0.16784 C assign (resid 67 and name HA ) (resid 70 and name HN ) 5.1015 3.2015 0.00 ! 0.64044 N assign (resid 67 and name HA ) (resid 89 and name HD++ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 67 and name HA ) (resid 91 and name HE+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 67 and name HA ) (resid 91 and name HH ) 4.04843 2.14843 0.00 ! 0.42448 C assign (resid 67 and name HA ) (resid 100 and name HB+ ) 5.50 3.60 0.00 ! 0.21502 C assign (resid 67 and name HA ) (resid 104 and name HD++ ) 4.63462 2.73462 0.00 ! 0.30436 C assign (resid 67 and name HB2 ) (resid 67 and name HN ) 3.54508 1.64508 0.00 ! 2.24 N assign (resid 67 and name HB1 ) (resid 73 and name HG2+ ) 3.81897 1.91897 0.00 ! 0.49 C assign (resid 67 and name HB1 ) (resid 89 and name HD++ ) 3.38349 1.48349 0.00 ! 0.66 C assign (resid 67 and name HB1 ) (resid 91 and name HE+ ) 5.50 3.60 0.00 ! 0.36261 A assign (resid 67 and name HB1 ) (resid 91 and name HH ) 4.43062 2.53062 0.00 ! 0.34 C assign (resid 67 and name HB1 ) (resid 67 and name HA ) 3.72782 1.82782 0.00 ! 0.52 C assign (resid 67 and name HD+ ) (resid 104 and name HD++ ) 5.50 3.60 0.00 ! 0.20713 C assign (resid 67 and name HD+ ) (resid 100 and name HB+ ) 2.89779 0.997789 0.00 ! 0.96627 C assign (resid 67 and name HD+ ) (resid 67 and name HA ) 3.28243 1.38243 0.00 ! 0.71112 C assign (resid 67 and name HD+ ) (resid 67 and name HN ) 3.33405 1.43405 0.00 ! 2.76653 N assign (resid 67 and name HD+ ) (resid 68 and name HN ) 5.20524 3.30524 0.00 ! 0.59759 N assign (resid 67 and name HD+ ) (resid 89 and name HD++ ) 3.51478 1.61478 0.00 ! 0.601 C assign (resid 67 and name HD+ ) (resid 91 and name HE+ ) 4.4484 2.5484 0.00 ! 1.01 A assign (resid 67 and name HD+ ) (resid 91 and name HH ) 5.50 3.60 0.00 ! 0.20771 C assign (resid 67 and name HN ) (resid 89 and name HD++ ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 67 and name HN ) (resid 91 and name HH ) 5.45282 3.55282 0.00 ! 0.50931 N assign (resid 67 and name HE+ ) (resid 100 and name HB+ ) 4.4371 2.5371 0.00 ! 0.33878 C assign (resid 67 and name HE+ ) (resid 104 and name HD++ ) 4.39017 2.49017 0.00 ! 0.34776 C assign (resid 68 and name HA ) (resid 68 and name HN ) 3.77134 1.87134 0.00 ! 1.81056 N assign (resid 68 and name HA ) (resid 69 and name HN ) 4.21398 2.31398 0.00 ! 1.23600 N assign (resid 68 and name HA ) (resid 70 and name HN ) 4.74966 2.84966 0.00 ! 0.81892 N assign (resid 68 and name HA ) (resid 71 and name HN ) 3.50365 1.60365 0.00 ! 2.33242 N assign (resid 68 and name HA ) (resid 73 and name HG2+ ) 3.09773 1.19773 0.00 ! 0.82 C assign (resid 68 and name HA ) (resid 73 and name HN ) 5.00548 3.10548 0.00 ! 0.68370 N assign (resid 68 and name HA ) (resid 91 and name HE+ ) 5.50 3.60 0.00 ! 0.52 A assign (resid 68 and name HA ) (resid 91 and name HH ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 68 and name HB+ ) (resid 68 and name HA ) 2.50 0.60 0.00 ! 1.51 C assign (resid 68 and name HN ) (resid 69 and name HB2 ) 5.02844 3.12844 0.00 ! 0.67302 N assign (resid 68 and name HN ) (resid 69 and name HN ) 2.84363 0.943627 0.00 ! 4.78231 N assign (resid 68 and name HN ) (resid 70 and name HN ) 5.2241 3.3241 0.00 ! 0.59020 N assign (resid 68 and name HN ) (resid 73 and name HG2+ ) 5.50 3.60 0.00 ! 0.24 C assign (resid 68 and name HN ) (resid 73 and name HG1+ ) 5.50 3.60 0.00 ! 0.00 C assign (resid 69 and name HA ) (resid 70 and name HN ) 4.50886 2.60886 0.00 ! 0.32567 C assign (resid 69 and name HA ) (resid 91 and name HH ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 69 and name HB2 ) (resid 69 and name HA ) 2.49961 0.599615 0.00 ! 1.39 C assign (resid 69 and name HB2 ) (resid 69 and name HN ) 2.50 0.60 0.00 ! 9.32 N assign (resid 69 and name HB2 ) (resid 70 and name HN ) 3.93092 2.03092 0.00 ! 1.57 N assign (resid 69 and name HB1 ) (resid 70 and name HZ ) 5.50 3.60 0.00 ! 0.65808 A assign (resid 69 and name HB2 ) (resid 71 and name HN ) 5.05708 3.15708 0.00 ! 0.66 N assign (resid 69 and name HG+ ) (resid 69 and name HA ) 2.57664 0.676642 0.00 ! 1.29 C assign (resid 69 and name HG+ ) (resid 69 and name HN ) 4.06593 2.16593 0.00 ! 0.42 C assign (resid 69 and name HD+ ) (resid 70 and name HZ ) 5.50 3.60 0.00 ! 0.00000 A assign (resid 69 and name HE+ ) (resid 70 and name HZ ) 5.50 3.60 0.00 ! 0.00000 A assign (resid 69 and name HN ) (resid 69 and name HA ) 3.16117 1.26117 0.00 ! 0.78011 C assign (resid 69 and name HN ) (resid 70 and name HN ) 2.70606 0.806056 0.00 ! 5.67180 N assign (resid 69 and name HN ) (resid 71 and name HN ) 4.61247 2.71247 0.00 ! 0.90579 N assign (resid 70 and name HA ) (resid 70 and name HB1 ) 2.95617 1.05617 0.00 ! 0.92 C assign (resid 70 and name HA ) (resid 70 and name HN ) 3.60832 1.70832 0.00 ! 2.10780 N assign (resid 70 and name HA ) (resid 71 and name HN ) 3.75812 1.85812 0.00 ! 1.83257 N assign (resid 70 and name HA ) (resid 70 and name HD+ ) 4.33165 2.43165 0.00 ! 1.07829 A assign (resid 70 and name HB2 ) (resid 91 and name HH ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 70 and name HB+ ) (resid 100 and name HB+ ) 2.94321 1.04321 0.00 ! 0.93 C assign (resid 70 and name HB1 ) (resid 71 and name HN ) 4.85877 2.95877 0.00 ! 0.75737 N assign (resid 70 and name HN ) (resid 70 and name HB2 ) 3.38349 1.48349 0.00 ! 0.66 C assign (resid 70 and name HN ) (resid 71 and name HN ) 2.50 0.60 0.00 ! 8.31250 N assign (resid 70 and name HN ) (resid 91 and name HE+ ) 4.6464 2.7464 0.00 ! 0.88324 N assign (resid 70 and name HN ) (resid 91 and name HH ) 3.71466 1.81466 0.00 ! 1.90739 N assign (resid 70 and name HD+ ) (resid 99 and name HB+ ) 3.83323 1.93323 0.00 ! 1.45658 A assign (resid 70 and name HD+ ) (resid 104 and name HD++ ) 4.756 2.856 0.00 ! 0.85682 A assign (resid 70 and name HE+ ) (resid 99 and name HB+ ) 5.50 3.60 0.00 ! 0.51145 A assign (resid 70 and name HE+ ) (resid 100 and name HA ) 5.50 3.60 0.00 ! 0.46934 A assign (resid 70 and name HE+ ) (resid 103 and name HB+ ) 4.41258 2.51258 0.00 ! 1.03029 A assign (resid 70 and name HE+ ) (resid 104 and name HD++ ) 3.21216 1.31216 0.00 ! 2.25 A assign (resid 70 and name HZ ) (resid 103 and name HB+ ) 3.20638 1.30638 0.00 ! 2.26 A assign (resid 70 and name HZ ) (resid 104 and name HD++ ) 3.48587 1.58587 0.00 ! 1.84 A assign (resid 71 and name HA+ ) (resid 71 and name HN ) 2.54656 0.646562 0.00 ! 6.99 N assign (resid 71 and name HN ) (resid 91 and name HE+ ) 3.59805 1.69805 0.00 ! 2.12857 N assign (resid 71 and name HN ) (resid 91 and name HH ) 4.78671 2.88671 0.00 ! 0.79732 N assign (resid 71 and name HA+ ) (resid 96 and name HB+ ) 3.30352 1.40352 0.00 ! 0.7 C assign (resid 72 and name HA ) (resid 72 and name HG2+ ) 2.65081 0.750806 0.00 ! 1.20302 C assign (resid 72 and name HA ) (resid 73 and name HB ) 5.50 3.60 0.00 ! 0.18074 C assign (resid 72 and name HA ) (resid 73 and name HG++ ) 4.53363 2.63363 0.00 ! 0.32131 C assign (resid 72 and name HA ) (resid 73 and name HN ) 2.50 0.60 0.00 ! 2.23053 C assign (resid 72 and name HA ) (resid 74 and name HN ) 5.50 3.60 0.00 ! 0.15142 C assign (resid 72 and name HB ) (resid 72 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 72 and name HN ) (resid 72 and name HB ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 72 and name HB ) (resid 73 and name HN ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 72 and name HB ) (resid 92 and name HB+ ) 2.50 0.60 0.00 ! 1.51455 C assign (resid 72 and name HB ) (resid 92 and name HN ) 4.06328 2.16328 0.00 ! 1.40095 N assign (resid 72 and name HG2+ ) (resid 72 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 72 and name HG2+ ) (resid 73 and name HN ) 3.7483 1.8483 0.00 ! 0.51304 C assign (resid 72 and name HG21 ) (resid 74 and name HD++ ) 2.9827 1.0827 0.00 ! 0.90000 C assign (resid 72 and name HG2+ ) (resid 92 and name HB+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 73 and name HG++ ) (resid 73 and name HA ) 2.50 0.60 0.00 ! 1.65244 C assign (resid 73 and name HA ) (resid 73 and name HN ) 3.76422 1.86422 0.00 ! 1.82237 N assign (resid 73 and name HA ) (resid 74 and name HN ) 2.56388 0.663877 0.00 ! 6.82894 N assign (resid 73 and name HA ) (resid 75 and name HN ) 4.39827 2.49827 0.00 ! 1.06677 N assign (resid 73 and name HA ) (resid 89 and name HD++ ) 5.50 3.60 0.00 ! 0.18539 C assign (resid 73 and name HA ) (resid 91 and name HA ) 3.02131 1.12131 0.00 ! 0.87197 C assign (resid 73 and name HA ) (resid 91 and name HD+ ) 5.50 3.60 0.00 ! 0.68501 A assign (resid 73 and name HA ) (resid 92 and name HN ) 4.53833 2.63833 0.00 ! 0.95772 N assign (resid 73 and name HB ) (resid 73 and name HA ) 4.00801 2.10801 0.00 ! 0.43509 C assign (resid 73 and name HB ) (resid 73 and name HN ) 2.80557 0.905574 0.00 ! 5.00916 N assign (resid 73 and name HB ) (resid 91 and name HD+ ) 5.50 3.60 0.00 ! 0.55708 A assign (resid 73 and name HB ) (resid 91 and name HE+ ) 5.50 3.60 0.00 ! 0.57678 A assign (resid 73 and name HG2+ ) (resid 74 and name HN ) 4.19028 2.29028 0.00 ! 0.39 C assign (resid 73 and name HG1+ ) (resid 74 and name HN ) 3.40456 1.50456 0.00 ! 0.65 C assign (resid 73 and name HG++ ) (resid 76 and name HD1+ ) 2.50 0.60 0.00 ! 1.76179 C assign (resid 73 and name HG1+ ) (resid 89 and name HD++ ) 2.9827 1.0827 0.00 ! 0.90 C assign (resid 73 and name HG2+ ) (resid 89 and name HD++ ) 2.9827 1.0827 0.00 ! 0.90 C assign (resid 73 and name HG2+ ) (resid 91 and name HA ) 5.50 3.60 0.00 ! 0.20 C assign (resid 73 and name HG++ ) (resid 91 and name HD+ ) 4.6954 2.7954 0.00 ! 0.88428 A assign (resid 73 and name HG2+ ) (resid 91 and name HE+ ) 3.36287 1.46287 0.00 ! 0.67 C assign (resid 73 and name HG1+ ) (resid 91 and name HH ) 5.50 3.60 0.00 ! 0.00 C assign (resid 73 and name HG2+ ) (resid 91 and name HH ) 4.79448 2.89448 0.00 ! 0.28 C assign (resid 73 and name HG1+ ) (resid 138 and name HD+ ) 2.50 0.60 0.00 ! 1.54 C assign (resid 73 and name HG1+ ) (resid 138 and name HE+ ) 4.06593 2.16593 0.00 ! 0.42 C assign (resid 73 and name HN ) (resid 73 and name HG2+ ) 2.79076 0.890759 0.00 ! 1.06 C assign (resid 73 and name HG++ ) (resid 75 and name HN ) 3.15664 1.25664 0.00 ! 3.33907 N assign (resid 73 and name HG1+ ) (resid 90 and name HN ) 4.86589 2.96589 0.00 ! 0.27 C assign (resid 73 and name HG++ ) (resid 92 and name HN ) 5.16011 3.26011 0.00 ! 0.61576 N assign (resid 73 and name HN ) (resid 72 and name HG2+ ) 3.14991 1.24991 0.00 ! 3.36369 N assign (resid 74 and name HA ) (resid 75 and name HN ) 5.16287 3.26287 0.00 ! 0.61463 N assign (resid 74 and name HN ) (resid 75 and name HN ) 2.77758 0.877577 0.00 ! 5.18499 N assign (resid 74 and name HN ) (resid 90 and name HN ) 5.07957 3.17957 0.00 ! 0.65 N assign (resid 74 and name HN ) (resid 91 and name HA ) 3.78839 1.88839 0.00 ! 1.78269 N assign (resid 74 and name HN ) (resid 92 and name HN ) 4.99597 3.09597 0.00 ! 0.68819 N assign (resid 74 and name HN ) (resid 74 and name HB2 ) 4.54117 2.64117 0.00 ! 0.32 C assign (resid 74 and name HN ) (resid 74 and name HD++ ) 4.82332 2.92332 0.00 ! 0.27590 C assign (resid 74 and name HN ) (resid 74 and name HG ) 4.5782 2.6782 0.00 ! 0.31367 C assign (resid 74 and name HD++ ) (resid 90 and name HG+ ) 4.66188 2.76188 0.00 ! 0.3 C assign (resid 74 and name HD++ ) (resid 90 and name HE2+ ) 4.14738 2.24738 0.00 ! 0.4 C assign (resid 74 and name HD++ ) (resid 92 and name HA ) 2.50 0.60 0.00 ! 2.30 C assign (resid 74 and name HD++ ) (resid 92 and name HB+ ) 2.50 0.60 0.00 ! 4.6 C assign (resid 74 and name HD++ ) (resid 92 and name HN ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 74 and name HD++ ) (resid 139 and name HG2+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 75 and name HA ) (resid 137 and name HA ) 3.54002 1.64002 0.00 ! 0.59051 C assign (resid 75 and name HA ) (resid 138 and name HD+ ) 3.60848 1.70848 0.00 ! 1.69 A assign (resid 75 and name HA ) (resid 138 and name HN ) 4.27942 2.37942 0.00 ! 1.17218 N assign (resid 75 and name HA ) (resid 75 and name HN ) 3.89865 1.99865 0.00 ! 1.61515 N assign (resid 75 and name HA ) (resid 76 and name HN ) 2.58108 0.681083 0.00 ! 6.67361 N assign (resid 75 and name HB+ ) (resid 75 and name HA ) 3.91724 2.01724 0.00 ! 0.46031 C assign (resid 75 and name HB+ ) (resid 76 and name HN ) 4.08456 2.18456 0.00 ! 1.37601 N assign (resid 75 and name HB+ ) (resid 126 and name HD++ ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 75 and name HG+ ) (resid 137 and name HA ) 2.80153 0.901533 0.00 ! 1.05 C assign (resid 75 and name HG+ ) (resid 75 and name HA ) 4.54117 2.64117 0.00 ! 0.32 C assign (resid 75 and name HG+ ) (resid 75 and name HN ) 4.10994 2.20994 0.00 ! 1.34699 N assign (resid 75 and name HD+ ) (resid 126 and name HD++ ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 75 and name HN ) (resid 75 and name HB+ ) 4.48472 2.58472 0.00 ! 0.33 C assign (resid 75 and name HN ) (resid 76 and name HN ) 4.91549 3.01549 0.00 ! 0.72773 N assign (resid 75 and name HN ) (resid 90 and name HB+ ) 3.98976 2.08976 0.00 ! 0.44 C assign (resid 75 and name HN ) (resid 90 and name HN ) 3.61675 1.71675 0.00 ! 2.09095 N assign (resid 75 and name HN ) (resid 91 and name HA ) 5.47341 3.57341 0.00 ! 0.50275 N assign (resid 76 and name HA ) (resid 126 and name HD++ ) 4.60118 2.70118 0.00 ! 0.30983 C assign (resid 76 and name HA ) (resid 136 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 76 and name HA ) (resid 76 and name HG2+ ) 2.64388 0.743878 0.00 ! 1.21079 C assign (resid 76 and name HA ) (resid 76 and name HD1+ ) 5.50 3.60 0.00 ! 0.22740 C assign (resid 76 and name HA ) (resid 76 and name HG1+ ) 4.14738 2.24738 0.00 ! 0.40 C assign (resid 76 and name HA ) (resid 77 and name HN ) 2.58731 0.687314 0.00 ! 1.27695 C assign (resid 76 and name HA ) (resid 89 and name HA ) 4.13551 2.23551 0.00 ! 0.40283 C assign (resid 76 and name HB ) (resid 136 and name HG+ ) 5.50 3.60 0.00 ! 0.23065 C assign (resid 76 and name HB ) (resid 138 and name HE+ ) 5.50 3.60 0.00 ! 0.24919 C assign (resid 76 and name HG1+ ) (resid 138 and name HE+ ) 3.64379 1.74379 0.00 ! 0.55 C assign (resid 76 and name HG1+ ) (resid 89 and name HD++ ) 3.67107 1.77107 0.00 ! 0.54 C assign (resid 76 and name HG2+ ) (resid 136 and name HB+ ) 3.24765 1.34765 0.00 ! 0.73 C assign (resid 76 and name HG2+ ) (resid 136 and name HG+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 76 and name HG2+ ) (resid 138 and name HE+ ) 5.50 3.60 0.00 ! 0.18183 C assign (resid 76 and name HG2+ ) (resid 77 and name HN ) 3.21863 1.31863 0.00 ! 0.74630 C assign (resid 76 and name HG2+ ) (resid 89 and name HA ) 4.42439 2.52439 0.00 ! 0.34118 C assign (resid 76 and name HG2+ ) (resid 89 and name HD++ ) 4.21334 2.31334 0.00 ! 0.38477 C assign (resid 76 and name HD1+ ) (resid 89 and name HA ) 5.50 3.60 0.00 ! 0.16412 C assign (resid 76 and name HD1+ ) (resid 89 and name HD++ ) 2.50 0.60 0.00 ! 1.44 C assign (resid 76 and name HD1+ ) (resid 138 and name HE+ ) 2.93287 1.03287 0.00 ! 2.81426 A assign (resid 76 and name HN ) (resid 76 and name HB ) 4.61453 2.71453 0.00 ! 0.30763 C assign (resid 76 and name HN ) (resid 76 and name HG2+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 76 and name HN ) (resid 136 and name HN ) 3.44551 1.54551 0.00 ! 2.47062 N assign (resid 76 and name HN ) (resid 137 and name HA ) 5.50 3.60 0.00 ! 0.20936 C assign (resid 76 and name HN ) (resid 138 and name HD+ ) 4.92294 3.02294 0.00 ! 0.72395 N assign (resid 76 and name HN ) (resid 138 and name HE+ ) 4.68282 2.78282 0.00 ! 0.85983 N assign (resid 77 and name HA ) (resid 135 and name HA ) 2.91055 1.01055 0.00 ! 0.95588 C assign (resid 77 and name HA ) (resid 136 and name HN ) 4.17926 2.27926 0.00 ! 1.27168 N assign (resid 77 and name HA ) (resid 78 and name HN ) 2.72768 0.827679 0.00 ! 5.51862 N assign (resid 77 and name HB ) (resid 78 and name HN ) 5.18411 3.28411 0.00 ! 0.60601 N assign (resid 77 and name HG1+ ) (resid 126 and name HD++ ) 2.89325 0.993254 0.00 ! 0.97 C assign (resid 77 and name HG1+ ) (resid 135 and name HB+ ) 3.61719 1.71719 0.00 ! 0.56 C assign (resid 77 and name HG2+ ) (resid 79 and name HD+ ) 3.63158 1.73158 0.00 ! 0.55456 C assign (resid 77 and name HG2+ ) (resid 79 and name HE+ ) 4.14624 2.24624 0.00 ! 0.40027 C assign (resid 77 and name HG2+ ) (resid 135 and name HA ) 4.68958 2.78958 0.00 ! 0.29566 C assign (resid 77 and name HG2+ ) (resid 135 and name HB+ ) 3.50847 1.60847 0.00 ! 0.60366 C assign (resid 77 and name HG2+ ) (resid 136 and name HN ) 4.84322 2.94322 0.00 ! 0.27312 C assign (resid 77 and name HG2+ ) (resid 78 and name HN ) 3.14619 1.24619 0.00 ! 0.78928 C assign (resid 77 and name HD1+ ) (resid 128 and name HA ) 4.48809 2.58809 0.00 ! 0.32939 C assign (resid 77 and name HD1+ ) (resid 135 and name HB+ ) 5.50 3.60 0.00 ! 0.24145 C assign (resid 77 and name HN ) (resid 77 and name HG1+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 77 and name HN ) (resid 77 and name HG2+ ) 4.90767 3.00767 0.00 ! 0.26438 C assign (resid 77 and name HN ) (resid 78 and name HG2+ ) 5.50 3.60 0.00 ! 0.22337 C assign (resid 77 and name HN ) (resid 89 and name HD++ ) 5.23058 3.33058 0.00 ! 0.58769 N assign (resid 77 and name HN ) (resid 126 and name HD++ ) 4.66188 2.76188 0.00 ! 0.30000 C assign (resid 78 and name HA ) (resid 78 and name HG2+ ) 2.74566 0.845656 0.00 ! 1.10335 C assign (resid 78 and name HA ) (resid 79 and name HD+ ) 4.49788 2.59788 0.00 ! 0.98289 A assign (resid 78 and name HA ) (resid 79 and name HE+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 78 and name HA ) (resid 79 and name HN ) 2.50 0.60 0.00 ! 8.39619 N assign (resid 78 and name HA ) (resid 87 and name HA ) 3.12899 1.22899 0.00 ! 0.80000 C assign (resid 78 and name HA ) (resid 88 and name HN ) 4.06408 2.16408 0.00 ! 1.40000 N assign (resid 78 and name HA ) (resid 78 and name HB ) 2.51824 0.618245 0.00 ! 1.36484 C assign (resid 78 and name HB ) (resid 78 and name HN ) 4.75727 2.85727 0.00 ! 0.81442 N assign (resid 78 and name HB ) (resid 79 and name HN ) 2.77358 0.873583 0.00 ! 5.21072 N assign (resid 78 and name HB ) (resid 87 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 78 and name HB ) (resid 87 and name HB+ ) 4.22358 2.32358 0.00 ! 0.38248 C assign (resid 78 and name HG2+ ) (resid 134 and name HA ) 4.85836 2.95836 0.00 ! 0.27103 C assign (resid 78 and name HG2+ ) (resid 79 and name HN ) 4.67751 2.77751 0.00 ! 0.29754 C assign (resid 78 and name HG2+ ) (resid 87 and name HA ) 3.31861 1.41861 0.00 ! 0.69220 C assign (resid 78 and name HG2+ ) (resid 86 and name HN ) 5.04399 3.14399 0.00 ! 0.66591 N assign (resid 78 and name HG2+ ) (resid 88 and name HN ) 5.50 3.60 0.00 ! 0.21114 C assign (resid 78 and name HN ) (resid 135 and name HA ) 4.89595 2.99595 0.00 ! 0.26594 C assign (resid 78 and name HN ) (resid 135 and name HB+ ) 5.50 3.60 0.00 ! 0.17557 C assign (resid 78 and name HN ) (resid 78 and name HA ) 4.50196 2.60196 0.00 ! 0.32690 C assign (resid 78 and name HN ) (resid 78 and name HG2+ ) 3.66415 1.76415 0.00 ! 0.54251 C assign (resid 79 and name HA ) (resid 79 and name HN ) 3.35885 1.45885 0.00 ! 2.69688 N assign (resid 79 and name HA ) (resid 79 and name HD+ ) 5.50 3.60 0.00 ! 0.70842 A assign (resid 79 and name HB+ ) (resid 79 and name HA ) 2.50 0.60 0.00 ! 1.72 C assign (resid 79 and name HB1 ) (resid 79 and name HN ) 4.33645 2.43645 0.00 ! 1.12 N assign (resid 79 and name HB2 ) (resid 80 and name HN ) 3.25016 1.35016 0.00 ! 3.02 N assign (resid 79 and name HD+ ) (resid 79 and name HN ) 4.00342 2.10342 0.00 ! 1.47433 N assign (resid 79 and name HD+ ) (resid 81 and name HB+ ) 3.60001 1.70001 0.00 ! 0.56660 C assign (resid 79 and name HE+ ) (resid 86 and name HB+ ) 4.23476 2.33476 0.00 ! 0.38 C assign (resid 79 and name HE+ ) (resid 87 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 79 and name HE+ ) (resid 88 and name HD++ ) 2.91786 1.01786 0.00 ! 0.95 C assign (resid 79 and name HE+ ) (resid 79 and name HN ) 4.77835 2.87835 0.00 ! 0.80213 N assign (resid 79 and name HE+ ) (resid 87 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 79 and name HE+ ) (resid 88 and name HN ) 5.40476 3.50476 0.00 ! 0.52506 N assign (resid 79 and name HN ) (resid 86 and name HB1 ) 5.24043 3.34043 0.00 ! 0.58390 N assign (resid 79 and name HN ) (resid 86 and name HN ) 3.59599 1.69599 0.00 ! 2.13276 N assign (resid 79 and name HN ) (resid 87 and name HA ) 4.96605 3.06605 0.00 ! 0.25680 C assign (resid 80 and name HA ) (resid 80 and name HG2+ ) 2.87769 0.977686 0.00 ! 0.98296 C assign (resid 80 and name HA ) (resid 80 and name HN ) 4.08748 2.18748 0.00 ! 1.37262 N assign (resid 80 and name HA ) (resid 81 and name HN ) 2.50 0.60 0.00 ! 12.12460 N assign (resid 80 and name HA ) (resid 85 and name HA ) 2.82278 0.922785 0.00 ! 1.03066 C assign (resid 80 and name HA ) (resid 84 and name HN ) 5.17423 3.27423 0.00 ! 0.61 N assign (resid 80 and name HA ) (resid 86 and name HN ) 4.5 2.6 0.00 ! 0.32725 C assign (resid 80 and name HA ) (resid 86 and name HG+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 80 and name HA ) (resid 80 and name HB ) 3.35846 1.45846 0.00 ! 0.67217 C assign (resid 80 and name HB ) (resid 80 and name HN ) 3.50721 1.60721 0.00 ! 2.32430 N assign (resid 80 and name HB ) (resid 81 and name HN ) 3.94368 2.04368 0.00 ! 1.55259 N assign (resid 80 and name HB ) (resid 84 and name HN ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 80 and name HG2+ ) (resid 80 and name HA ) 3.42774 1.52774 0.00 ! 0.63924 C assign (resid 80 and name HG2+ ) (resid 80 and name HN ) 4.77902 2.87902 0.00 ! 0.80174 N assign (resid 80 and name HG2+ ) (resid 83 and name HA ) 4.01605 2.11605 0.00 ! 0.43295 C assign (resid 80 and name HG2+ ) (resid 83 and name HN ) 4.66817 2.76817 0.00 ! 0.86915 N assign (resid 80 and name HG2+ ) (resid 84 and name HA ) 5.50 3.60 0.00 ! 0.16983 C assign (resid 80 and name HG2+ ) (resid 84 and name HN ) 4.00692 2.10692 0.00 ! 0.43538 C assign (resid 80 and name HG2+ ) (resid 85 and name HB+ ) 5.50 3.60 0.00 ! 0.18404 C assign (resid 80 and name HG2+ ) (resid 85 and name HN ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 80 and name HG2+ ) (resid 86 and name HN ) 5.50 3.60 0.00 ! 0.21154 C assign (resid 80 and name HG2+ ) (resid 81 and name HN ) 3.22136 1.32136 0.00 ! 3.11391 N assign (resid 80 and name HG2+ ) (resid 84 and name HN ) 3.73654 1.83654 0.00 ! 1.86924 N assign (resid 80 and name HN ) (resid 84 and name HN ) 5.33248 3.43248 0.00 ! 0.54995 N assign (resid 81 and name HA ) (resid 81 and name HN ) 3.26034 1.36034 0.00 ! 2.98770 N assign (resid 81 and name HB+ ) (resid 81 and name HN ) 2.99635 1.09635 0.00 ! 3.99465 N assign (resid 81 and name HB+ ) (resid 84 and name HN ) 5.45192 3.55192 0.00 ! 0.50960 N assign (resid 81 and name HB+ ) (resid 84 and name HB+ ) 4.97433 3.07433 0.00 ! 0.25575 C assign (resid 81 and name HB+ ) (resid 86 and name HG+ ) 4.18158 2.28158 0.00 ! 0.39200 C assign (resid 81 and name HB+ ) (resid 86 and name HE2+ ) 5.50 3.60 0.00 ! 0.20467 C assign (resid 81 and name HG+ ) (resid 81 and name HN ) 5.24134 3.34134 0.00 ! 0.58355 N assign (resid 81 and name HN ) (resid 84 and name HB+ ) 4.45879 2.55879 0.00 ! 1.01778 N assign (resid 81 and name HN ) (resid 84 and name HN ) 2.98507 1.08507 0.00 ! 4.04685 N assign (resid 81 and name HN ) (resid 86 and name HG+ ) 4.57467 2.67467 0.00 ! 0.93180 N assign (resid 81 and name HN ) (resid 86 and name HE2+ ) 5.19669 3.29669 0.00 ! 0.60098 N assign (resid 82 and name HA ) (resid 83 and name HN ) 3.89729 1.99729 0.00 ! 1.61710 N assign (resid 82 and name HA ) (resid 84 and name HN ) 5.27141 3.37141 0.00 ! 0.57218 N assign (resid 82 and name HB+ ) (resid 82 and name HA ) 2.50 0.60 0.00 ! 2.10 C assign (resid 82 and name HB+ ) (resid 83 and name HN ) 5.07851 3.17851 0.00 ! 0.65047 N assign (resid 82 and name HB+ ) (resid 84 and name HN ) 4.66188 2.76188 0.00 ! 0.3 C assign (resid 83 and name HA ) (resid 83 and name HN ) 2.8025 0.902496 0.00 ! 5.02811 N assign (resid 83 and name HA ) (resid 84 and name HN ) 3.47387 1.57387 0.00 ! 2.40193 N assign (resid 83 and name HB+ ) (resid 83 and name HA ) 2.50 0.60 0.00 ! 2.10 C assign (resid 83 and name HB+ ) (resid 83 and name HN ) 3.92367 2.02367 0.00 ! 1.58 N assign (resid 83 and name HB+ ) (resid 84 and name HN ) 4.48169 2.58169 0.00 ! 1.0 N assign (resid 83 and name HN ) (resid 84 and name HN ) 3.85175 1.95175 0.00 ! 1.68382 N assign (resid 83 and name HB+ ) (resid 84 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 83 and name HB+ ) (resid 83 and name HD2+ ) 3.02183 1.12183 0.00 ! 3.88 N assign (resid 84 and name HA ) (resid 84 and name HN ) 3.59521 1.69521 0.00 ! 2.13436 N assign (resid 84 and name HA ) (resid 85 and name HN ) 2.68659 0.786589 0.00 ! 5.81443 N assign (resid 84 and name HB+ ) (resid 84 and name HA ) 2.58664 0.686639 0.00 ! 1.27777 C assign (resid 84 and name HB+ ) (resid 84 and name HN ) 2.71605 0.816054 0.00 ! 5.60030 N assign (resid 84 and name HG+ ) (resid 84 and name HA ) 3.05282 1.15282 0.00 ! 0.85 C assign (resid 84 and name HG+ ) (resid 84 and name HN ) 3.6964 1.7964 0.00 ! 1.94 N assign (resid 84 and name HG+ ) (resid 85 and name HN ) 4.97222 3.07222 0.00 ! 0.69956 N assign (resid 84 and name HN ) (resid 85 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 84 and name HB+ ) (resid 84 and name HE2+ ) 4.78204 2.88204 0.00 ! 0.8 N assign (resid 84 and name HG+ ) (resid 84 and name HE2+ ) 3.54049 1.64049 0.00 ! 2.25 N assign (resid 84 and name HB+ ) (resid 85 and name HN ) 4.50954 2.60954 0.00 ! 0.32555 C assign (resid 84 and name HB+ ) (resid 86 and name HE2+ ) 5.50 3.60 0.00 ! 0.18949 C assign (resid 85 and name HA ) (resid 86 and name HN ) 2.50 0.60 0.00 ! 8.47207 N assign (resid 85 and name HB+ ) (resid 85 and name HN ) 2.95738 1.05738 0.00 ! 4.17869 N assign (resid 85 and name HB+ ) (resid 86 and name HN ) 4.43438 2.53438 0.00 ! 1.03718 N assign (resid 85 and name HD+ ) (resid 85 and name HN ) 5.12404 3.22404 0.00 ! 0.63080 N assign (resid 85 and name HN ) (resid 85 and name HB+ ) 3.01007 1.11007 0.00 ! 0.88 C assign (resid 86 and name HA ) (resid 87 and name HN ) 2.50 0.60 0.00 ! 1.71142 C assign (resid 86 and name HB1 ) (resid 86 and name HA ) 3.08251 1.18251 0.00 ! 0.83 C assign (resid 86 and name HB2 ) (resid 86 and name HN ) 3.51794 1.61794 0.00 ! 2.30 N assign (resid 86 and name HB1 ) (resid 87 and name HN ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 86 and name HG+ ) (resid 86 and name HA ) 3.85841 1.95841 0.00 ! 0.47777 C assign (resid 86 and name HG+ ) (resid 86 and name HN ) 3.99371 2.09371 0.00 ! 1.48670 N assign (resid 86 and name HG+ ) (resid 87 and name HN ) 4.43779 2.53779 0.00 ! 1.03444 N assign (resid 86 and name HN ) (resid 86 and name HA ) 4.00797 2.10797 0.00 ! 0.43510 C assign (resid 86 and name HG+ ) (resid 86 and name HE2+ ) 3.44983 1.54983 0.00 ! 2.46 N assign (resid 87 and name HA ) (resid 88 and name HN ) 2.5766 0.676596 0.00 ! 6.71367 N assign (resid 87 and name HB+ ) (resid 87 and name HN ) 3.05895 1.15895 0.00 ! 3.72041 N assign (resid 88 and name HA ) (resid 88 and name HG ) 4.01364 2.11364 0.00 ! 0.43359 C assign (resid 88 and name HA ) (resid 88 and name HD++ ) 2.52946 0.629461 0.00 ! 1.35 C assign (resid 88 and name HA ) (resid 88 and name HN ) 4.01434 2.11434 0.00 ! 1.46059 N assign (resid 88 and name HA ) (resid 89 and name HN ) 2.50 0.60 0.00 ! 7.80262 N assign (resid 88 and name HA ) (resid 126 and name HD++ ) 5.50 3.60 0.00 ! 0.16141 C assign (resid 88 and name HB+ ) (resid 126 and name HD++ ) 4.43498 2.53498 0.00 ! 0.33918 C assign (resid 88 and name HB+ ) (resid 88 and name HA ) 3.5621 1.6621 0.00 ! 0.58155 C assign (resid 88 and name HB+ ) (resid 88 and name HN ) 4.26914 2.36914 0.00 ! 1.18192 N assign (resid 88 and name HN ) (resid 89 and name HD++ ) 5.50 3.60 0.00 ! 0.15039 C assign (resid 88 and name HN ) (resid 89 and name HN ) 5.19837 3.29837 0.00 ! 0.60031 N assign (resid 88 and name HN ) (resid 126 and name HD++ ) 5.50 3.60 0.00 ! 0.18632 C assign (resid 88 and name HD++ ) (resid 121 and name HB+ ) 3.85903 1.95903 0.00 ! 0.47758 C assign (resid 88 and name HD++ ) (resid 126 and name HD++ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 89 and name HA ) (resid 89 and name HD++ ) 3.44809 1.54809 0.00 ! 0.63 C assign (resid 89 and name HA ) (resid 89 and name HN ) 3.97624 2.07624 0.00 ! 1.50929 N assign (resid 89 and name HA ) (resid 89 and name HB+ ) 3.40456 1.50456 0.00 ! 0.65 C assign (resid 89 and name HA ) (resid 90 and name HN ) 2.56633 0.666332 0.00 ! 6.80649 N assign (resid 89 and name HA ) (resid 126 and name HD++ ) 3.79406 1.89406 0.00 ! 0.49795 C assign (resid 89 and name HB+ ) (resid 89 and name HD++ ) 2.50 0.60 0.00 ! 3.15 C assign (resid 89 and name HN ) (resid 89 and name HD++ ) 4.78204 2.88204 0.00 ! 0.80 N assign (resid 89 and name HD++ ) (resid 90 and name HA ) 5.50 3.60 0.00 ! 0.22 C assign (resid 89 and name HD++ ) (resid 90 and name HN ) 4.35421 2.45421 0.00 ! 1.10436 N assign (resid 89 and name HD++ ) (resid 91 and name HB+ ) 5.50 3.60 0.00 ! 0.23440 C assign (resid 89 and name HD++ ) (resid 91 and name HD+ ) 4.78558 2.88558 0.00 ! 0.84385 A assign (resid 89 and name HD++ ) (resid 91 and name HE+ ) 3.36287 1.46287 0.00 ! 2.01 A assign (resid 89 and name HD++ ) (resid 91 and name HH ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 89 and name HD++ ) (resid 138 and name HE+ ) 5.50 3.60 0.00 ! 0.36665 A assign (resid 89 and name HN ) (resid 89 and name HB+ ) 3.67107 1.77107 0.00 ! 0.54 C assign (resid 89 and name HN ) (resid 90 and name HN ) 5.30415 3.40415 0.00 ! 0.56012 N assign (resid 90 and name HA ) (resid 90 and name HB+ ) 3.4936 1.5936 0.00 ! 0.61 C assign (resid 90 and name HA ) (resid 90 and name HG+ ) 3.72782 1.82782 0.00 ! 0.52 C assign (resid 90 and name HB+ ) (resid 126 and name HD++ ) 5.50 3.60 0.00 ! 0.23 C assign (resid 90 and name HE2+ ) (resid 125 and name HA ) 4.25034 2.35034 0.00 ! 1.20 N assign (resid 90 and name HE2+ ) (resid 125 and name HB+ ) 4.30325 2.40325 0.00 ! 1.15 N assign (resid 90 and name HG+ ) (resid 90 and name HE2+ ) 3.74779 1.84779 0.00 ! 1.85 N assign (resid 91 and name HA ) (resid 91 and name HN ) 4.19944 2.29944 0.00 ! 1.25078 N assign (resid 91 and name HA ) (resid 92 and name HB+ ) 4.12881 2.22881 0.00 ! 0.40444 C assign (resid 91 and name HA ) (resid 92 and name HN ) 2.50 0.60 0.00 ! 1.44000 C assign (resid 91 and name HA ) (resid 93 and name HN ) 5.50 3.60 0.00 ! 0.22673 C assign (resid 91 and name HA ) (resid 91 and name HE+ ) 5.50 3.60 0.00 ! 0.63400 A assign (resid 91 and name HB+ ) (resid 91 and name HA ) 2.84612 0.946116 0.00 ! 1.01 C assign (resid 91 and name HB+ ) (resid 91 and name HN ) 2.99519 1.09519 0.00 ! 4.00 N assign (resid 91 and name HB+ ) (resid 92 and name HN ) 2.82865 0.928646 0.00 ! 4.87 N assign (resid 91 and name HB+ ) (resid 92 and name HB+ ) 5.50 3.60 0.00 ! 0.17335 C assign (resid 91 and name HB+ ) (resid 93 and name HN ) 4.04325 2.14325 0.00 ! 0.42582 C assign (resid 91 and name HB+ ) (resid 97 and name HB+ ) 3.34268 1.44268 0.00 ! 0.68 C assign (resid 91 and name HD+ ) (resid 91 and name HN ) 4.29854 2.39854 0.00 ! 1.15434 N assign (resid 91 and name HD+ ) (resid 92 and name HN ) 3.82604 1.92604 0.00 ! 1.72307 N assign (resid 91 and name HD+ ) (resid 91 and name HA ) 3.38646 1.48646 0.00 ! 0.65858 C assign (resid 91 and name HD+ ) (resid 97 and name HA ) 3.43364 1.53364 0.00 ! 0.63654 C assign (resid 91 and name HD+ ) (resid 97 and name HB+ ) 2.61766 0.717661 0.00 ! 1.24084 C assign (resid 91 and name HD+ ) (resid 97 and name HN ) 4.89085 2.99085 0.00 ! 0.74042 N assign (resid 91 and name HE+ ) (resid 92 and name HN ) 5.40153 3.50153 0.00 ! 0.52614 N assign (resid 91 and name HE+ ) (resid 100 and name HB+ ) 2.50 0.60 0.00 ! 2.66 C assign (resid 91 and name HE+ ) (resid 100 and name HN ) 5.11607 3.21607 0.00 ! 0.63419 N assign (resid 91 and name HE+ ) (resid 97 and name HA ) 3.02603 1.12603 0.00 ! 0.86863 C assign (resid 91 and name HE+ ) (resid 97 and name HB+ ) 3.68858 1.78858 0.00 ! 1.60114 A assign (resid 91 and name HN ) (resid 92 and name HN ) 5.17413 3.27413 0.00 ! 0.61004 N assign (resid 91 and name HN ) (resid 97 and name HB+ ) 5.50 3.60 0.00 ! 0.18838 C assign (resid 91 and name HH ) (resid 100 and name HB+ ) 4.29088 2.39088 0.00 ! 0.36789 C assign (resid 92 and name HA ) (resid 93 and name HN ) 4.28538 2.38538 0.00 ! 1.16658 N assign (resid 92 and name HB+ ) (resid 92 and name HN ) 2.50 0.60 0.00 ! 11.13090 N assign (resid 92 and name HB+ ) (resid 93 and name HB+ ) 3.67107 1.77107 0.00 ! 0.54 C assign (resid 92 and name HB+ ) (resid 93 and name HN ) 3.22402 1.32402 0.00 ! 0.74323 C assign (resid 92 and name HN ) (resid 92 and name HA ) 3.40456 1.50456 0.00 ! 0.65000 C assign (resid 92 and name HN ) (resid 93 and name HN ) 2.94254 1.04254 0.00 ! 4.25160 N assign (resid 93 and name HA ) (resid 93 and name HB+ ) 2.78013 0.880127 0.00 ! 1.07 C assign (resid 93 and name HA ) (resid 94 and name HD+ ) 2.50 0.60 0.00 ! 2.78 C assign (resid 93 and name HA ) (resid 94 and name HG+ ) 3.88421 1.98421 0.00 ! 0.47 C assign (resid 93 and name HA ) (resid 95 and name HN ) 4.95845 3.05845 0.00 ! 0.70627 N assign (resid 93 and name HA ) (resid 95 and name HG++ ) 5.50 3.60 0.00 ! 0.18659 C assign (resid 93 and name HB+ ) (resid 93 and name HA ) 2.55267 0.652674 0.00 ! 1.32 C assign (resid 93 and name HB+ ) (resid 93 and name HN ) 3.05282 1.15282 0.00 ! 0.85 C assign (resid 93 and name HB+ ) (resid 94 and name HD+ ) 3.24765 1.34765 0.00 ! 0.73 C assign (resid 93 and name HB+ ) (resid 95 and name HG++ ) 5.50 3.60 0.00 ! 0.17522 C assign (resid 93 and name HB+ ) (resid 96 and name HN ) 5.13141 3.23141 0.00 ! 0.62769 N assign (resid 93 and name HN ) (resid 93 and name HA ) 4.08218 2.18218 0.00 ! 0.41590 C assign (resid 94 and name HA ) (resid 95 and name HN ) 5.50 3.60 0.00 ! 0.16204 C assign (resid 94 and name HA ) (resid 97 and name HB+ ) 3.38995 1.48995 0.00 ! 0.65691 C assign (resid 94 and name HA ) (resid 97 and name HN ) 3.8659 1.9659 0.00 ! 1.66272 N assign (resid 94 and name HB+ ) (resid 94 and name HD+ ) 2.59306 0.69306 0.00 ! 1.27 C assign (resid 94 and name HB+ ) (resid 95 and name HN ) 4.66188 2.76188 0.00 ! 0.30000 C assign (resid 94 and name HB+ ) (resid 97 and name HB+ ) 3.80121 1.90121 0.00 ! 0.49565 C assign (resid 94 and name HD+ ) (resid 95 and name HN ) 4.19028 2.29028 0.00 ! 0.39 C assign (resid 94 and name HD+ ) (resid 95 and name HG++ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 94 and name HG+ ) (resid 94 and name HA ) 5.00566 3.10566 0.00 ! 0.25183 C assign (resid 94 and name HG+ ) (resid 94 and name HD+ ) 2.78013 0.880127 0.00 ! 1.07 C assign (resid 94 and name HG+ ) (resid 95 and name HN ) 4.14738 2.24738 0.00 ! 0.4 C assign (resid 94 and name HG+ ) (resid 97 and name HB+ ) 5.50 3.60 0.00 ! 0.19233 C assign (resid 95 and name HA ) (resid 95 and name HG++ ) 2.50 0.60 0.00 ! 2.94 C assign (resid 95 and name HA ) (resid 95 and name HB ) 3.50618 1.60618 0.00 ! 0.60463 C assign (resid 95 and name HA ) (resid 95 and name HN ) 2.93119 1.03119 0.00 ! 4.30853 N assign (resid 95 and name HA ) (resid 97 and name HB+ ) 5.50 3.60 0.00 ! 0.19510 C assign (resid 95 and name HA ) (resid 97 and name HN ) 4.65361 2.75361 0.00 ! 0.87854 N assign (resid 95 and name HA ) (resid 98 and name HB+ ) 3.06806 1.16806 0.00 ! 0.83965 C assign (resid 95 and name HA ) (resid 98 and name HG+ ) 4.28092 2.38092 0.00 ! 0.37 C assign (resid 95 and name HA ) (resid 99 and name HN ) 4.53235 2.63235 0.00 ! 0.96207 N assign (resid 95 and name HG++ ) (resid 95 and name HN ) 2.50 0.60 0.00 ! 9.28 N assign (resid 95 and name HG++ ) (resid 96 and name HB+ ) 5.50 3.60 0.00 ! 0.23 C assign (resid 95 and name HG++ ) (resid 96 and name HN ) 3.82382 1.92382 0.00 ! 0.48847 C assign (resid 95 and name HG++ ) (resid 98 and name HG+ ) 4.14738 2.24738 0.00 ! 0.4 C assign (resid 95 and name HG++ ) (resid 99 and name HN ) 5.03216 3.13216 0.00 ! 0.67131 N assign (resid 95 and name HN ) (resid 95 and name HB ) 2.61212 0.712116 0.00 ! 1.24733 C assign (resid 95 and name HB ) (resid 96 and name HN ) 3.75736 1.85736 0.00 ! 0.51 C assign (resid 95 and name HN ) (resid 97 and name HN ) 4.309 2.409 0.00 ! 1.14473 N assign (resid 96 and name HA ) (resid 97 and name HN ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 96 and name HA ) (resid 97 and name HB+ ) 5.50 3.60 0.00 ! 0.15536 C assign (resid 96 and name HA ) (resid 99 and name HN ) 5.50 3.60 0.00 ! 0.17279 C assign (resid 96 and name HA ) (resid 99 and name HB+ ) 4.35644 2.45644 0.00 ! 0.35442 C assign (resid 96 and name HB+ ) (resid 96 and name HA ) 3.10475 1.20475 0.00 ! 0.81545 C assign (resid 96 and name HB+ ) (resid 97 and name HN ) 3.34739 1.44739 0.00 ! 2.72878 N assign (resid 97 and name HA ) (resid 100 and name HB+ ) 3.68129 1.78129 0.00 ! 0.53632 C assign (resid 97 and name HA ) (resid 100 and name HN ) 3.92201 2.02201 0.00 ! 1.58230 N assign (resid 97 and name HA ) (resid 97 and name HN ) 3.14631 1.24631 0.00 ! 3.37693 N assign (resid 97 and name HA ) (resid 98 and name HN ) 5.50 3.60 0.00 ! 0.22483 C assign (resid 97 and name HB+ ) (resid 97 and name HN ) 2.50 0.60 0.00 ! 9.86813 N assign (resid 97 and name HB+ ) (resid 98 and name HB+ ) 4.58516 2.68516 0.00 ! 0.31250 C assign (resid 97 and name HB+ ) (resid 98 and name HG+ ) 5.50 3.60 0.00 ! 0.22612 C assign (resid 97 and name HB+ ) (resid 101 and name HN ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 97 and name HB+ ) (resid 120 and name HD+ ) 4.14715 2.24715 0.00 ! 1.20016 A assign (resid 97 and name HB+ ) (resid 120 and name HE+ ) 3.68744 1.78744 0.00 ! 1.60236 A assign (resid 97 and name HN ) (resid 98 and name HG+ ) 5.27119 3.37119 0.00 ! 0.57226 N assign (resid 97 and name HN ) (resid 99 and name HN ) 5.01527 3.11527 0.00 ! 0.67912 N assign (resid 98 and name HA ) (resid 100 and name HN ) 5.50 3.60 0.00 ! 0.22568 C assign (resid 98 and name HA ) (resid 101 and name HB1 ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 98 and name HA ) (resid 101 and name HN ) 4.87485 2.97485 0.00 ! 0.26878 C assign (resid 98 and name HA ) (resid 99 and name HN ) 4.29483 2.39483 0.00 ! 1.15778 N assign (resid 98 and name HA ) (resid 120 and name HE+ ) 3.78773 1.88773 0.00 ! 0.50000 C assign (resid 98 and name HB+ ) (resid 100 and name HN ) 4.61947 2.71947 0.00 ! 0.90108 N assign (resid 98 and name HB+ ) (resid 98 and name HA ) 2.56194 0.661938 0.00 ! 1.30829 C assign (resid 98 and name HB+ ) (resid 99 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 98 and name HB+ ) (resid 99 and name HN ) 2.64695 0.746952 0.00 ! 6.11946 N assign (resid 98 and name HB+ ) (resid 99 and name HB+ ) 5.50 3.60 0.00 ! 0.18213 C assign (resid 98 and name HB+ ) (resid 120 and name HE+ ) 5.50 3.60 0.00 ! 0.57845 A assign (resid 98 and name HB+ ) (resid 120 and name HZ ) 4.48942 2.58942 0.00 ! 0.98745 A assign (resid 98 and name HB+ ) (resid 99 and name HD2 ) 5.50 3.60 0.00 ! 0.60374 A assign (resid 98 and name HG+ ) (resid 98 and name HA ) 3.88351 1.98351 0.00 ! 0.47021 C assign (resid 98 and name HG+ ) (resid 99 and name HN ) 4.13413 2.23413 0.00 ! 1.32007 N assign (resid 98 and name HG+ ) (resid 120 and name HE+ ) 5.50 3.60 0.00 ! 0.65379 A assign (resid 98 and name HG+ ) (resid 120 and name HZ ) 4.70204 2.80204 0.00 ! 0.88121 A assign (resid 98 and name HN ) (resid 100 and name HN ) 5.01828 3.11828 0.00 ! 0.67772 N assign (resid 98 and name HN ) (resid 98 and name HA ) 3.67403 1.77403 0.00 ! 0.53893 C assign (resid 98 and name HN ) (resid 98 and name HB+ ) 2.50 0.60 0.00 ! 1.49137 C assign (resid 98 and name HN ) (resid 98 and name HG+ ) 3.40456 1.50456 0.00 ! 0.65 C assign (resid 98 and name HE2+ ) (resid 101 and name HB1 ) 5.50 3.60 0.00 ! 0.45541 N assign (resid 98 and name HG+ ) (resid 98 and name HE2+ ) 3.52688 1.62688 0.00 ! 2.28 N assign (resid 99 and name HA ) (resid 100 and name HN ) 3.78423 1.88423 0.00 ! 1.78944 N assign (resid 99 and name HA ) (resid 102 and name HB2 ) 4.54117 2.64117 0.00 ! 0.32 C assign (resid 99 and name HA ) (resid 102 and name HN ) 5.50 3.60 0.00 ! 0.22918 C assign (resid 99 and name HA ) (resid 103 and name HN ) 5.50 3.60 0.00 ! 0.16956 C assign (resid 99 and name HA ) (resid 99 and name HN ) 3.10716 1.20716 0.00 ! 3.52556 N assign (resid 99 and name HB+ ) (resid 100 and name HN ) 2.70368 0.803682 0.00 ! 5.68895 N assign (resid 99 and name HB+ ) (resid 99 and name HA ) 2.59791 0.697915 0.00 ! 1.26417 C assign (resid 99 and name HB+ ) (resid 99 and name HN ) 2.50 0.60 0.00 ! 7.69742 N assign (resid 99 and name HD2 ) (resid 100 and name HN ) 4.77091 2.87091 0.00 ! 0.80644 N assign (resid 99 and name HD2 ) (resid 99 and name HB+ ) 3.55295 1.65295 0.00 ! 0.58524 C assign (resid 99 and name HD2 ) (resid 99 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 99 and name HD2 ) (resid 99 and name HN ) 4.37873 2.47873 0.00 ! 1.08323 N assign (resid 99 and name HN ) (resid 100 and name HB+ ) 4.73099 2.83099 0.00 ! 0.83009 N assign (resid 99 and name HN ) (resid 100 and name HN ) 3.11374 1.21374 0.00 ! 3.50000 N assign (resid 99 and name HN ) (resid 99 and name HA ) 3.36786 1.46786 0.00 ! 0.66756 C assign (resid 99 and name HA ) (resid 102 and name HG ) 5.50 3.60 0.00 ! 0.17 C assign (resid 100 and name HA ) (resid 103 and name HB+ ) 3.59126 1.69126 0.00 ! 0.57 C assign (resid 100 and name HA ) (resid 103 and name HN ) 4.35386 2.45386 0.00 ! 1.10467 N assign (resid 100 and name HA ) (resid 104 and name HD++ ) 5.50 3.60 0.00 ! 0.24 C assign (resid 100 and name HB+ ) (resid 100 and name HN ) 2.50 0.60 0.00 ! 12.93599 N assign (resid 100 and name HB+ ) (resid 101 and name HN ) 2.77039 0.870395 0.00 ! 1.07927 C assign (resid 100 and name HB+ ) (resid 101 and name HA ) 5.50 3.60 0.00 ! 0.15664 C assign (resid 100 and name HB+ ) (resid 103 and name HN ) 5.50 3.60 0.00 ! 0.1 C assign (resid 100 and name HB+ ) (resid 104 and name HD++ ) 3.23593 1.33593 0.00 ! 0.73652 C assign (resid 100 and name HN ) (resid 100 and name HA ) 3.80994 1.90994 0.00 ! 0.49286 C assign (resid 100 and name HN ) (resid 101 and name HN ) 2.90394 1.00394 0.00 ! 4.44922 N assign (resid 100 and name HN ) (resid 103 and name HN ) 4.79127 2.89127 0.00 ! 0.79471 N assign (resid 101 and name HA ) (resid 101 and name HN ) 3.3215 1.4215 0.00 ! 2.80265 N assign (resid 101 and name HA ) (resid 102 and name HN ) 4.9199 3.0199 0.00 ! 0.72549 N assign (resid 101 and name HA ) (resid 105 and name HN ) 5.09462 3.19462 0.00 ! 0.64342 N assign (resid 101 and name HA ) (resid 118 and name HG2+ ) 2.75335 0.85335 0.00 ! 1.09578 C assign (resid 101 and name HB1 ) (resid 101 and name HN ) 3.4936 1.5936 0.00 ! 0.61 C assign (resid 101 and name HB2 ) (resid 101 and name HA ) 2.96933 1.06933 0.00 ! 0.91 C assign (resid 101 and name HB1 ) (resid 102 and name HN ) 4.23476 2.33476 0.00 ! 0.38 C assign (resid 101 and name HD+ ) (resid 102 and name HN ) 3.75133 1.85133 0.00 ! 1.84401 N assign (resid 101 and name HA ) (resid 101 and name HG+ ) 4.28092 2.38092 0.00 ! 0.37 C assign (resid 101 and name HN ) (resid 102 and name HN ) 3.342 1.442 0.00 ! 2.74395 N assign (resid 102 and name HA ) (resid 102 and name HN ) 3.39345 1.49345 0.00 ! 2.60347 N assign (resid 102 and name HA ) (resid 102 and name HG ) 4.02738 2.12738 0.00 ! 0.42996 C assign (resid 102 and name HA ) (resid 103 and name HN ) 3.65995 1.75995 0.00 ! 2.00727 N assign (resid 102 and name HB1 ) (resid 102 and name HA ) 2.65352 0.753516 0.00 ! 1.20 C assign (resid 102 and name HB2 ) (resid 103 and name HN ) 2.97588 1.07588 0.00 ! 4.09 N assign (resid 102 and name HN ) (resid 102 and name HG ) 3.00212 1.10212 0.00 ! 0.88575 C assign (resid 102 and name HG ) (resid 103 and name HN ) 5.50 3.60 0.00 ! 0.19354 C assign (resid 102 and name HN ) (resid 103 and name HA ) 5.50 3.60 0.00 ! 0.18213 C assign (resid 102 and name HN ) (resid 102 and name HB2 ) 2.78013 0.880127 0.00 ! 1.07 C assign (resid 102 and name HN ) (resid 103 and name HN ) 2.91011 1.01011 0.00 ! 4.41683 N assign (resid 103 and name HA ) (resid 103 and name HB+ ) 2.50 0.60 0.00 ! 1.75 C assign (resid 103 and name HA ) (resid 103 and name HN ) 2.91069 1.01069 0.00 ! 4.41381 N assign (resid 103 and name HA ) (resid 104 and name HN ) 4.90225 3.00225 0.00 ! 0.26510 C assign (resid 103 and name HB+ ) (resid 103 and name HN ) 2.50 0.60 0.00 ! 9.06 N assign (resid 103 and name HB+ ) (resid 104 and name HG ) 3.34268 1.44268 0.00 ! 0.68 C assign (resid 103 and name HB+ ) (resid 104 and name HD++ ) 2.9827 1.0827 0.00 ! 0.9 C assign (resid 103 and name HB+ ) (resid 104 and name HN ) 3.36135 1.46135 0.00 ! 2.69 N assign (resid 103 and name HN ) (resid 104 and name HN ) 2.55333 0.653334 0.00 ! 6.92643 N assign (resid 104 and name HA ) (resid 104 and name HD++ ) 2.50 0.60 0.00 ! 2.24 C assign (resid 104 and name HA ) (resid 104 and name HN ) 3.43111 1.53111 0.00 ! 2.50649 N assign (resid 104 and name HA ) (resid 104 and name HG ) 5.50 3.60 0.00 ! 0.24564 C assign (resid 104 and name HA ) (resid 105 and name HN ) 5.50 3.60 0.00 ! 0.24548 C assign (resid 104 and name HA ) (resid 107 and name HG+ ) 3.30648 1.40648 0.00 ! 0.69846 C assign (resid 104 and name HA ) (resid 107 and name HE2+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 104 and name HB+ ) (resid 104 and name HA ) 2.74905 0.849052 0.00 ! 1.1 C assign (resid 104 and name HB+ ) (resid 104 and name HD++ ) 3.202 1.302 0.00 ! 0.75587 C assign (resid 104 and name HD++ ) (resid 104 and name HN ) 3.4789 1.5789 0.00 ! 2.39 N assign (resid 104 and name HD++ ) (resid 107 and name HB+ ) 4.92178 3.02178 0.00 ! 0.26252 C assign (resid 104 and name HD++ ) (resid 107 and name HG+ ) 3.64379 1.74379 0.00 ! 0.55 C assign (resid 104 and name HD++ ) (resid 107 and name HN ) 5.23307 3.33307 0.00 ! 0.58673 N assign (resid 104 and name HD++ ) (resid 105 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 104 and name HD++ ) (resid 116 and name HD++ ) 2.70943 0.809425 0.00 ! 1.14 C assign (resid 104 and name HD++ ) (resid 118 and name HD1+ ) 3.98069 2.08069 0.00 ! 0.44247 C assign (resid 104 and name HN ) (resid 104 and name HB+ ) 3.21216 1.31216 0.00 ! 0.75 C assign (resid 104 and name HN ) (resid 104 and name HG ) 4.92529 3.02529 0.00 ! 0.26206 C assign (resid 104 and name HN ) (resid 105 and name HB+ ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 104 and name HN ) (resid 105 and name HN ) 2.95198 1.05198 0.00 ! 4.20501 N assign (resid 104 and name HD++ ) (resid 107 and name HE2+ ) 5.50 3.60 0.00 ! 0.39003 N assign (resid 105 and name HA ) (resid 105 and name HN ) 4.03401 2.13401 0.00 ! 1.43623 N assign (resid 105 and name HA ) (resid 106 and name HN ) 2.50 0.60 0.00 ! 1.67066 C assign (resid 105 and name HA ) (resid 107 and name HN ) 4.7838 2.8838 0.00 ! 0.28154 C assign (resid 105 and name HA ) (resid 118 and name HN ) 4.33501 2.43501 0.00 ! 1.12128 N assign (resid 105 and name HA ) (resid 118 and name HB ) 4.5349 2.6349 0.00 ! 0.32109 C assign (resid 105 and name HA ) (resid 118 and name HG1+ ) 4.50898 2.60898 0.00 ! 0.32565 C assign (resid 105 and name HA ) (resid 118 and name HG2+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 105 and name HB+ ) (resid 105 and name HA ) 2.69034 0.790338 0.00 ! 1.16 C assign (resid 105 and name HB+ ) (resid 105 and name HN ) 3.34111 1.44111 0.00 ! 2.74647 N assign (resid 105 and name HB+ ) (resid 106 and name HN ) 5.45531 3.55531 0.00 ! 0.50851 N assign (resid 105 and name HB+ ) (resid 118 and name HN ) 4.30325 2.40325 0.00 ! 1.15 N assign (resid 105 and name HB+ ) (resid 118 and name HB ) 5.50 3.60 0.00 ! 0.0.5 C assign (resid 105 and name HB+ ) (resid 118 and name HD1+ ) 3.78773 1.88773 0.00 ! 0.5 C assign (resid 105 and name HN ) (resid 118 and name HD1+ ) 4.11409 2.21409 0.00 ! 1.34232 N assign (resid 106 and name HN ) (resid 106 and name HA+ ) 2.50 0.60 0.00 ! 1.66 C assign (resid 106 and name HA+ ) (resid 107 and name HN ) 3.81897 1.91897 0.00 ! 0.49 C assign (resid 106 and name HA+ ) (resid 115 and name HG2+ ) 4.85538 2.95538 0.00 ! 0.27144 C assign (resid 106 and name HN ) (resid 107 and name HN ) 3.07409 1.17409 0.00 ! 3.65777 N assign (resid 107 and name HA ) (resid 107 and name HN ) 3.48072 1.58072 0.00 ! 2.38571 N assign (resid 107 and name HA ) (resid 108 and name HN ) 2.7642 0.864203 0.00 ! 5.27180 N assign (resid 107 and name HB+ ) (resid 107 and name HN ) 2.50 0.60 0.00 ! 7.84333 N assign (resid 107 and name HG+ ) (resid 107 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 107 and name HG+ ) (resid 107 and name HN ) 3.54718 1.64718 0.00 ! 2.23543 N assign (resid 107 and name HN ) (resid 108 and name HN ) 5.00829 3.10829 0.00 ! 0.68238 N assign (resid 107 and name HN ) (resid 115 and name HG2+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 107 and name HN ) (resid 116 and name HB+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 107 and name HN ) (resid 116 and name HD++ ) 4.20762 2.30762 0.00 ! 1.24244 N assign (resid 107 and name HN ) (resid 116 and name HN ) 4.61941 2.71941 0.00 ! 0.90112 N assign (resid 107 and name HB+ ) (resid 108 and name HN ) 3.47059 1.57059 0.00 ! 0.62 C assign (resid 107 and name HB+ ) (resid 108 and name HD2+ ) 5.50 3.60 0.00 ! 0.41120 N assign (resid 107 and name HG+ ) (resid 107 and name HE2+ ) 4.15259 2.25259 0.00 ! 1.30 N assign (resid 108 and name HA ) (resid 108 and name HB+ ) 3.36287 1.46287 0.00 ! 0.67 C assign (resid 108 and name HA ) (resid 108 and name HN ) 4.53761 2.63761 0.00 ! 0.95824 N assign (resid 108 and name HA ) (resid 109 and name HN ) 5.50 3.60 0.00 ! 0.50000 N assign (resid 108 and name HA ) (resid 110 and name HN ) 5.50 3.60 0.00 ! 0.18886 C assign (resid 108 and name HA ) (resid 115 and name HA ) 2.99623 1.09623 0.00 ! 0.89004 C assign (resid 108 and name HA ) (resid 115 and name HG2+ ) 5.50 3.60 0.00 ! 0.24368 C assign (resid 108 and name HB+ ) (resid 108 and name HN ) 3.70247 1.80247 0.00 ! 1.92908 N assign (resid 108 and name HD2+ ) (resid 108 and name HB+ ) 3.81897 1.91897 0.00 ! 0.49 C assign (resid 108 and name HN ) (resid 109 and name HG1+ ) 5.40566 3.50566 0.00 ! 0.52476 N assign (resid 108 and name HN ) (resid 109 and name HN ) 5.34671 3.44671 0.00 ! 0.54493 N assign (resid 108 and name HA ) (resid 110 and name HN ) 5.10435 3.20435 0.00 ! 0.63921 N assign (resid 108 and name HB+ ) (resid 108 and name HD2+ ) 3.01731 1.11731 0.00 ! 3.90 N assign (resid 108 and name HB+ ) (resid 113 and name HN ) 3.09335 1.19335 0.00 ! 3.58 N assign (resid 108 and name HD2+ ) (resid 112 and name HA ) 3.61723 1.71723 0.00 ! 2.09 N assign (resid 108 and name HD2+ ) (resid 112 and name HB+ ) 4.50809 2.60809 0.00 ! 0.98 N assign (resid 108 and name HN ) (resid 108 and name HD2+ ) 4.54902 2.64902 0.00 ! 0.95 N assign (resid 109 and name HA ) (resid 109 and name HG2+ ) 2.89963 0.999632 0.00 ! 0.96476 C assign (resid 109 and name HA ) (resid 109 and name HN ) 5.02389 3.12389 0.00 ! 0.67512 N assign (resid 109 and name HB ) (resid 109 and name HA ) 3.8355 1.9355 0.00 ! 0.48482 C assign (resid 109 and name HB ) (resid 109 and name HN ) 4.45142 2.55142 0.00 ! 1.02359 N assign (resid 109 and name HB ) (resid 110 and name HD+ ) 5.50 3.60 0.00 ! 0.69319 A assign (resid 109 and name HD1+ ) (resid 109 and name HB ) 4.16911 2.26911 0.00 ! 0.39489 C assign (resid 109 and name HD1+ ) (resid 109 and name HA ) 3.85434 1.95434 0.00 ! 0.47901 C assign (resid 109 and name HD1+ ) (resid 109 and name HG2+ ) 2.50 0.60 0.00 ! 2.30257 C assign (resid 109 and name HD1+ ) (resid 109 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 109 and name HG1+ ) (resid 109 and name HG2+ ) 2.50 0.60 0.00 ! 1.7 C assign (resid 109 and name HG1+ ) (resid 110 and name HD+ ) 3.67107 1.77107 0.00 ! 0.54 C assign (resid 109 and name HG1+ ) (resid 109 and name HA ) 3.54127 1.64127 0.00 ! 0.59000 C assign (resid 109 and name HG1+ ) (resid 109 and name HN ) 4.20114 2.30114 0.00 ! 1.24904 N assign (resid 109 and name HG2+ ) (resid 109 and name HN ) 4.90914 3.00914 0.00 ! 0.73097 N assign (resid 109 and name HG2+ ) (resid 110 and name HD+ ) 4.52208 2.62208 0.00 ! 0.97 A assign (resid 109 and name HG2+ ) (resid 110 and name HE+ ) 4.2967 2.3967 0.00 ! 1.10 A assign (resid 109 and name HG2+ ) (resid 114 and name HB+ ) 4.02722 2.12722 0.00 ! 0.43 C assign (resid 109 and name HG2+ ) (resid 116 and name HD++ ) 4.3853 2.4853 0.00 ! 0.34871 C assign (resid 109 and name HA ) (resid 110 and name HN ) 4.68031 2.78031 0.00 ! 0.86142 N assign (resid 109 and name HB ) (resid 110 and name HN ) 4.2242 2.3242 0.00 ! 1.22574 N assign (resid 109 and name HB ) (resid 114 and name HB+ ) 3.40456 1.50456 0.00 ! 0.65 C assign (resid 109 and name HD1+ ) (resid 110 and name HN ) 5.41109 3.51109 0.00 ! 0.52295 N assign (resid 109 and name HD1+ ) (resid 114 and name HB+ ) 3.40456 1.50456 0.00 ! 0.65 C assign (resid 109 and name HG2+ ) (resid 110 and name HN ) 5.14088 3.24088 0.00 ! 0.62372 N assign (resid 109 and name HG2+ ) (resid 110 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 109 and name HN ) (resid 110 and name HN ) 3.58297 1.68297 0.00 ! 2.15955 N assign (resid 109 and name HN ) (resid 114 and name HB+ ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 110 and name HB+ ) (resid 110 and name HA ) 3.21216 1.31216 0.00 ! 0.75 C assign (resid 110 and name HA ) (resid 110 and name HD+ ) 3.923 2.023 0.00 ! 1.37595 A assign (resid 110 and name HA ) (resid 110 and name HN ) 4.24146 2.34146 0.00 ! 1.20867 N assign (resid 110 and name HA ) (resid 111 and name HN ) 4.37898 2.47898 0.00 ! 1.08302 N assign (resid 110 and name HB+ ) (resid 110 and name HN ) 5.00448 3.10448 0.00 ! 0.68417 N assign (resid 110 and name HB+ ) (resid 111 and name HN ) 5.00772 3.10772 0.00 ! 0.68265 N assign (resid 110 and name HD+ ) (resid 114 and name HB+ ) 4.14778 2.24778 0.00 ! 1.19971 A assign (resid 110 and name HN ) (resid 113 and name HB+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 111 and name HA ) (resid 111 and name HN ) 4.73915 2.83915 0.00 ! 0.82518 N assign (resid 111 and name HA ) (resid 112 and name HN ) 5.12854 3.22854 0.00 ! 0.62890 N assign (resid 111 and name HB+ ) (resid 111 and name HD2+ ) 4.19048 2.29048 0.00 ! 1.26 N assign (resid 111 and name HB+ ) (resid 111 and name HA ) 3.39275 1.49275 0.00 ! 0.65558 C assign (resid 112 and name HA ) (resid 112 and name HN ) 5.23738 3.33738 0.00 ! 0.58507 N assign (resid 112 and name HA ) (resid 113 and name HN ) 3.89041 1.99041 0.00 ! 1.62695 N assign (resid 112 and name HB+ ) (resid 112 and name HN ) 5.46122 3.56122 0.00 ! 0.50662 N assign (resid 112 and name HB+ ) (resid 113 and name HN ) 4.74888 2.84888 0.00 ! 0.81938 N assign (resid 112 and name HN ) (resid 113 and name HN ) 4.81564 2.91564 0.00 ! 0.78096 N assign (resid 113 and name HA ) (resid 113 and name HN ) 3.71599 1.81599 0.00 ! 1.90504 N assign (resid 113 and name HA ) (resid 114 and name HN ) 3.8048 1.9048 0.00 ! 1.75638 N assign (resid 113 and name HB+ ) (resid 113 and name HN ) 4.06408 2.16408 0.00 ! 1.40 N assign (resid 113 and name HB+ ) (resid 114 and name HN ) 3.07844 1.17844 0.00 ! 3.64 N assign (resid 113 and name HN ) (resid 114 and name HN ) 4.9112 3.0112 0.00 ! 0.72992 N assign (resid 113 and name HA ) (resid 113 and name HB+ ) 2.50 0.60 0.00 ! 1.50 C assign (resid 114 and name HA ) (resid 115 and name HN ) 3.26735 1.36735 0.00 ! 2.96571 N assign (resid 114 and name HB+ ) (resid 114 and name HA ) 3.05282 1.15282 0.00 ! 0.85 C assign (resid 114 and name HA ) (resid 114 and name HN ) 3.13482 1.23482 0.00 ! 3.41970 N assign (resid 114 and name HB+ ) (resid 114 and name HN ) 5.50 3.60 0.00 ! 0.44069 N assign (resid 114 and name HN ) (resid 115 and name HN ) 4.11019 2.21019 0.00 ! 1.34671 N assign (resid 115 and name HA ) (resid 115 and name HG2+ ) 3.96858 2.06858 0.00 ! 0.44580 C assign (resid 115 and name HA ) (resid 115 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 115 and name HA ) (resid 116 and name HN ) 2.63158 0.731583 0.00 ! 6.24328 N assign (resid 115 and name HB ) (resid 115 and name HN ) 3.45158 1.55158 0.00 ! 2.45572 N assign (resid 115 and name HG2+ ) (resid 115 and name HN ) 4.36912 2.46912 0.00 ! 1.09145 N assign (resid 115 and name HG2+ ) (resid 116 and name HN ) 3.46435 1.56435 0.00 ! 0.62275 C assign (resid 115 and name HG2+ ) (resid 117 and name HD+ ) 5.50 3.60 0.00 ! 0.25 C assign (resid 115 and name HN ) (resid 116 and name HN ) 5.3295 3.4295 0.00 ! 0.55101 N assign (resid 116 and name HA ) (resid 116 and name HB+ ) 3.17798 1.27798 0.00 ! 0.77 C assign (resid 116 and name HA ) (resid 117 and name HN ) 2.63324 0.733244 0.00 ! 6.22974 N assign (resid 116 and name HB+ ) (resid 116 and name HN ) 2.87958 0.979583 0.00 ! 4.58 N assign (resid 116 and name HB+ ) (resid 117 and name HN ) 4.85639 2.95639 0.00 ! 0.75865 N assign (resid 116 and name HD++ ) (resid 117 and name HN ) 3.66785 1.76785 0.00 ! 1.99243 N assign (resid 117 and name HA ) (resid 117 and name HN ) 3.88882 1.98882 0.00 ! 1.62924 N assign (resid 117 and name HA ) (resid 117 and name HB+ ) 3.09773 1.19773 0.00 ! 0.82 C assign (resid 117 and name HA ) (resid 118 and name HN ) 2.50 0.60 0.00 ! 8.98295 N assign (resid 117 and name HA ) (resid 117 and name HG+ ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 117 and name HN ) (resid 117 and name HG+ ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 117 and name HB+ ) (resid 117 and name HN ) 3.70008 1.80008 0.00 ! 1.93337 N assign (resid 117 and name HB+ ) (resid 118 and name HN ) 4.70543 2.80543 0.00 ! 0.84570 N assign (resid 117 and name HD+ ) (resid 117 and name HA ) 2.91786 1.01786 0.00 ! 0.95 C assign (resid 117 and name HD+ ) (resid 118 and name HN ) 5.09847 3.19847 0.00 ! 0.64175 N assign (resid 117 and name HD+ ) (resid 117 and name HE ) 3.49601 1.59601 0.00 ! 2.35 N assign (resid 117 and name HG+ ) (resid 117 and name HE ) 3.4101 1.5101 0.00 ! 2.56 N assign (resid 118 and name HA ) (resid 118 and name HD1+ ) 5.50 3.60 0.00 ! 0.17647 C assign (resid 118 and name HA ) (resid 118 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 118 and name HA ) (resid 118 and name HB ) 4.62808 2.72808 0.00 ! 0.30542 C assign (resid 118 and name HA ) (resid 118 and name HG1+ ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 118 and name HA ) (resid 119 and name HN ) 2.50 0.60 0.00 ! 7.57018 N assign (resid 118 and name HB ) (resid 118 and name HN ) 2.98815 1.08815 0.00 ! 4.03253 N assign (resid 118 and name HG2+ ) (resid 118 and name HN ) 3.98339 2.08339 0.00 ! 1.50000 N assign (resid 118 and name HG2+ ) (resid 119 and name HN ) 2.93609 1.03609 0.00 ! 4.28383 N assign (resid 118 and name HG1+ ) (resid 118 and name HN ) 3.6176 1.7176 0.00 ! 2.08927 N assign (resid 118 and name HD1+ ) (resid 118 and name HN ) 3.65461 1.75461 0.00 ! 2.01737 N assign (resid 119 and name HA ) (resid 119 and name HB+ ) 2.50 0.60 0.00 ! 1.71 C assign (resid 119 and name HA ) (resid 119 and name HN ) 3.43421 1.53421 0.00 ! 2.49870 N assign (resid 119 and name HB+ ) (resid 119 and name HN ) 3.14009 1.24009 0.00 ! 3.40 N assign (resid 119 and name HB+ ) (resid 120 and name HN ) 2.74496 0.844963 0.00 ! 5.4 N assign (resid 120 and name HA ) (resid 121 and name HN ) 3.79419 1.89419 0.00 ! 0.49791 C assign (resid 120 and name HB1 ) (resid 120 and name HA ) 4.23476 2.33476 0.00 ! 0.38 C assign (resid 120 and name HB2 ) (resid 120 and name HN ) 2.978 1.078 0.00 ! 4.08 N assign (resid 120 and name HB1 ) (resid 121 and name HN ) 3.9757 2.0757 0.00 ! 1.51 N assign (resid 120 and name HD+ ) (resid 120 and name HA ) 2.50 0.60 0.00 ! 1.58 C assign (resid 120 and name HD+ ) (resid 120 and name HN ) 3.28998 1.38998 0.00 ! 2.89612 N assign (resid 120 and name HD+ ) (resid 121 and name HN ) 4.689 2.789 0.00 ! 0.85594 N assign (resid 121 and name HA ) (resid 121 and name HB+ ) 3.62664 1.72664 0.00 ! 0.55642 C assign (resid 121 and name HA ) (resid 121 and name HN ) 3.89934 1.99934 0.00 ! 1.61418 N assign (resid 121 and name HB+ ) (resid 121 and name HN ) 2.67943 0.77943 0.00 ! 5.86805 N assign (resid 122 and name HA ) (resid 122 and name HB+ ) 2.50 0.60 0.00 ! 1.78 C assign (resid 122 and name HG+ ) (resid 122 and name HA ) 3.17495 1.27495 0.00 ! 0.77181 C assign (resid 122 and name HN ) (resid 122 and name HG+ ) 5.50 3.60 0.00 ! 0.17983 C assign (resid 123 and name HD++ ) (resid 123 and name HA ) 2.50 0.60 0.00 ! 2.15754 C assign (resid 123 and name HA ) (resid 123 and name HG ) 4.29435 2.39435 0.00 ! 0.36716 C assign (resid 123 and name HA ) (resid 124 and name HN ) 3.03778 1.13778 0.00 ! 0.86039 C assign (resid 123 and name HA ) (resid 125 and name HN ) 5.50 3.60 0.00 ! 0.20307 C assign (resid 123 and name HB+ ) (resid 123 and name HA ) 2.50 0.60 0.00 ! 1.81 C assign (resid 123 and name HB+ ) (resid 124 and name HN ) 3.71318 1.81318 0.00 ! 1.91 N assign (resid 123 and name HB+ ) (resid 125 and name HN ) 2.90379 1.00379 0.00 ! 4.45 N assign (resid 123 and name HD++ ) (resid 124 and name HN ) 4.39135 2.49135 0.00 ! 0.34753 C assign (resid 123 and name HD++ ) (resid 125 and name HN ) 5.50 3.60 0.00 ! 0.18949 C assign (resid 124 and name HA ) (resid 125 and name HN ) 5.50 3.60 0.00 ! 0.21489 C assign (resid 124 and name HG2+ ) (resid 124 and name HA ) 2.64927 0.749267 0.00 ! 1.20474 C assign (resid 124 and name HG2+ ) (resid 124 and name HN ) 3.88731 1.98731 0.00 ! 1.63142 N assign (resid 124 and name HG2+ ) (resid 125 and name HN ) 4.40363 2.50363 0.00 ! 1.06231 N assign (resid 124 and name HN ) (resid 125 and name HN ) 2.53654 0.636541 0.00 ! 7.08545 N assign (resid 125 and name HA ) (resid 125 and name HB+ ) 2.50 0.60 0.00 ! 2.09879 C assign (resid 125 and name HA ) (resid 125 and name HN ) 3.19534 1.29534 0.00 ! 3.20199 N assign (resid 125 and name HA ) (resid 126 and name HN ) 2.50 0.60 0.00 ! 8.68676 N assign (resid 125 and name HA ) (resid 126 and name HD++ ) 5.50 3.60 0.00 ! 0.21864 C assign (resid 125 and name HA ) (resid 126 and name HG ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 125 and name HB+ ) (resid 125 and name HN ) 3.38229 1.48229 0.00 ! 2.63314 N assign (resid 125 and name HB+ ) (resid 126 and name HN ) 2.9632 1.0632 0.00 ! 4.15053 N assign (resid 125 and name HN ) (resid 126 and name HN ) 5.00561 3.10561 0.00 ! 0.68364 N assign (resid 126 and name HA ) (resid 126 and name HG ) 4.83954 2.93954 0.00 ! 0.27363 C assign (resid 126 and name HD++ ) (resid 126 and name HN ) 4.21646 2.31646 0.00 ! 1.23350 N assign (resid 126 and name HN ) (resid 126 and name HB+ ) 3.05282 1.15282 0.00 ! 0.85 C assign (resid 126 and name HN ) (resid 126 and name HG ) 4.41541 2.51541 0.00 ! 0.34289 C assign (resid 127 and name HA ) (resid 127 and name HB+ ) 2.50 0.60 0.00 ! 1.69 C assign (resid 127 and name HA ) (resid 128 and name HN ) 3.94587 2.04587 0.00 ! 1.54963 N assign (resid 127 and name HA ) (resid 128 and name HB ) 5.50 3.60 0.00 ! 0.17270 C assign (resid 128 and name HA ) (resid 128 and name HB ) 5.50 3.60 0.00 ! 0.18324 C assign (resid 128 and name HA ) (resid 129 and name HN ) 4.27425 2.37425 0.00 ! 1.17707 N assign (resid 128 and name HA ) (resid 130 and name HN ) 5.50 3.60 0.00 ! 0.21895 C assign (resid 128 and name HB ) (resid 128 and name HA ) 4.10404 2.20404 0.00 ! 0.41047 C assign (resid 128 and name HG++ ) (resid 128 and name HA ) 2.50 0.60 0.00 ! 2.07100 C assign (resid 128 and name HG++ ) (resid 129 and name HA ) 3.60008 1.70008 0.00 ! 0.56657 C assign (resid 128 and name HG++ ) (resid 130 and name HN ) 3.07127 1.17127 0.00 ! 3.66932 N assign (resid 128 and name HG++ ) (resid 135 and name HB+ ) 2.60141 0.701406 0.00 ! 1.26 C assign (resid 128 and name HA ) (resid 128 and name HN ) 5.50 3.60 0.00 ! 0.35106 N assign (resid 128 and name HB ) (resid 128 and name HN ) 4.98125 3.08125 0.00 ! 0.69521 N assign (resid 128 and name HB ) (resid 137 and name HB+ ) 3.78773 1.88773 0.00 ! 0.5 C assign (resid 128 and name HG++ ) (resid 128 and name HN ) 4.68814 2.78814 0.00 ! 0.85648 N assign (resid 129 and name HA ) (resid 130 and name HN ) 4.34606 2.44606 0.00 ! 1.11150 N assign (resid 129 and name HB+ ) (resid 129 and name HA ) 2.76979 0.86979 0.00 ! 1.07985 C assign (resid 129 and name HB+ ) (resid 130 and name HN ) 4.30023 2.40023 0.00 ! 1.15278 N assign (resid 129 and name HD+ ) (resid 129 and name HA ) 4.79574 2.89574 0.00 ! 0.27982 C assign (resid 129 and name HG+ ) (resid 129 and name HA ) 3.28453 1.38453 0.00 ! 0.71 C assign (resid 129 and name HG+ ) (resid 129 and name HN ) 5.33158 3.43158 0.00 ! 0.55027 N assign (resid 129 and name HG+ ) (resid 130 and name HN ) 4.23652 2.33652 0.00 ! 1.21352 N assign (resid 129 and name HN ) (resid 130 and name HN ) 4.24467 2.34467 0.00 ! 1.20553 N assign (resid 129 and name HD+ ) (resid 130 and name HE+ ) 5.50 3.60 0.00 ! 0.15885 C assign (resid 129 and name HE+ ) (resid 130 and name HE+ ) 4.08629 2.18629 0.00 ! 0.41487 C assign (resid 130 and name HA ) (resid 130 and name HN ) 4.45173 2.55173 0.00 ! 1.02334 N assign (resid 130 and name HA ) (resid 131 and name HA ) 5.50 3.60 0.00 ! 0.15319 C assign (resid 130 and name HA ) (resid 131 and name HN ) 2.9401 1.0401 0.00 ! 4.26377 N assign (resid 130 and name HA ) (resid 143 and name HB+ ) 3.75736 1.85736 0.00 ! 0.51 C assign (resid 130 and name HB1 ) (resid 130 and name HA ) 3.85111 1.95111 0.00 ! 0.48 C assign (resid 130 and name HB2 ) (resid 130 and name HN ) 3.90935 2.00935 0.00 ! 1.60 N assign (resid 130 and name HB1 ) (resid 131 and name HN ) 4.06408 2.16408 0.00 ! 1.4 N assign (resid 130 and name HD+ ) (resid 130 and name HA ) 3.38395 1.48395 0.00 ! 0.65978 C assign (resid 130 and name HN ) (resid 131 and name HN ) 5.42291 3.52291 0.00 ! 0.51904 N assign (resid 130 and name HB+ ) (resid 132 and name HD2+ ) 4.03094 2.13094 0.00 ! 1.44 N assign (resid 130 and name HE+ ) (resid 130 and name HA ) 5.50 3.60 0.00 ! 0.18375 C assign (resid 130 and name HE+ ) (resid 144 and name HG+ ) 4.32887 2.42887 0.00 ! 0.36 C assign (resid 130 and name HE+ ) (resid 146 and name HN ) 5.24442 3.34442 0.00 ! 0.58237 N assign (resid 131 and name HA ) (resid 131 and name HN ) 4.46738 2.56738 0.00 ! 1.01106 N assign (resid 131 and name HA ) (resid 132 and name HN ) 2.57061 0.670605 0.00 ! 6.76765 N assign (resid 131 and name HA ) (resid 133 and name HN ) 5.45872 3.55872 0.00 ! 0.50742 N assign (resid 131 and name HA ) (resid 136 and name HA ) 3.55038 1.65038 0.00 ! 0.58628 C assign (resid 131 and name HA ) (resid 136 and name HD+ ) 5.50 3.60 0.00 ! 0.18382 C assign (resid 131 and name HA ) (resid 137 and name HN ) 5.50 3.60 0.00 ! 0.18791 C assign (resid 131 and name HB+ ) (resid 131 and name HA ) 3.56596 1.66596 0.00 ! 0.58 C assign (resid 131 and name HB+ ) (resid 131 and name HN ) 3.34696 1.44696 0.00 ! 2.73 N assign (resid 131 and name HB+ ) (resid 132 and name HN ) 4.79127 2.89127 0.00 ! 0.79471 N assign (resid 131 and name HD2+ ) (resid 143 and name HB+ ) 4.66188 2.76188 0.00 ! 0.3 C assign (resid 131 and name HD2+ ) (resid 143 and name HN ) 3.46216 1.56216 0.00 ! 2.43 N assign (resid 131 and name HD2+ ) (resid 131 and name HN ) 5.50 3.60 0.00 ! 0.00000 N assign (resid 131 and name HB+ ) (resid 131 and name HD2+ ) 3.09084 1.19084 0.00 ! 3.59 N assign (resid 131 and name HD2+ ) (resid 141 and name HA ) 3.06754 1.16754 0.00 ! 0.84 C assign (resid 131 and name HD2+ ) (resid 143 and name HB+ ) 3.5224 1.6224 0.00 ! 2.29 N assign (resid 131 and name HN ) (resid 143 and name HB+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 131 and name HN ) (resid 145 and name HA ) 4.44335 2.54335 0.00 ! 0.33761 C assign (resid 132 and name HA ) (resid 132 and name HB+ ) 2.78013 0.880127 0.00 ! 1.07 C assign (resid 132 and name HB+ ) (resid 134 and name HN ) 5.45687 3.55687 0.00 ! 0.50801 N assign (resid 132 and name HB+ ) (resid 132 and name HN ) 5.20248 3.30248 0.00 ! 0.59868 N assign (resid 132 and name HB+ ) (resid 133 and name HN ) 3.38952 1.48952 0.00 ! 2.61388 N assign (resid 132 and name HB+ ) (resid 145 and name HA ) 5.50 3.60 0.00 ! 0.23816 C assign (resid 132 and name HB+ ) (resid 145 and name HB+ ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 132 and name HD2+ ) (resid 132 and name HB+ ) 3.75736 1.85736 0.00 ! 0.51 C assign (resid 132 and name HN ) (resid 132 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 132 and name HN ) (resid 134 and name HN ) 4.65894 2.75894 0.00 ! 0.87509 N assign (resid 132 and name HN ) (resid 135 and name HN ) 3.58069 1.68069 0.00 ! 2.16428 N assign (resid 132 and name HN ) (resid 136 and name HD+ ) 4.57794 2.67794 0.00 ! 0.92951 N assign (resid 132 and name HB+ ) (resid 132 and name HD2+ ) 3.98339 2.08339 0.00 ! 1.5 N assign (resid 133 and name HB+ ) (resid 133 and name HA ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 133 and name HB+ ) (resid 133 and name HN ) 3.82793 1.92793 0.00 ! 1.72014 N assign (resid 133 and name HB+ ) (resid 134 and name HG+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 133 and name HB+ ) (resid 134 and name HN ) 3.75491 1.85491 0.00 ! 0.51082 C assign (resid 134 and name HB+ ) (resid 134 and name HA ) 4.14738 2.24738 0.00 ! 0.4 C assign (resid 134 and name HB2 ) (resid 134 and name HN ) 3.44172 1.54172 0.00 ! 2.48 N assign (resid 134 and name HB2 ) (resid 135 and name HN ) 4.07256 2.17256 0.00 ! 1.39 N assign (resid 134 and name HG+ ) (resid 134 and name HN ) 3.8141 1.9141 0.00 ! 1.74169 N assign (resid 134 and name HG+ ) (resid 135 and name HN ) 5.00763 3.10763 0.00 ! 0.68269 N assign (resid 134 and name HN ) (resid 135 and name HN ) 2.50 0.60 0.00 ! 10.89522 N assign (resid 135 and name HA ) (resid 135 and name HB+ ) 2.54485 0.644855 0.00 ! 1.33 C assign (resid 135 and name HA ) (resid 136 and name HA ) 5.50 3.60 0.00 ! 0.15266 C assign (resid 135 and name HA ) (resid 136 and name HN ) 2.50 0.60 0.00 ! 7.99694 N assign (resid 135 and name HB+ ) (resid 136 and name HN ) 3.38946 1.48946 0.00 ! 2.61403 N assign (resid 135 and name HB+ ) (resid 135 and name HN ) 3.82053 1.92053 0.00 ! 1.73163 N assign (resid 135 and name HN ) (resid 135 and name HA ) 4.13309 2.23309 0.00 ! 0.40341 C assign (resid 135 and name HN ) (resid 136 and name HN ) 4.75921 2.85921 0.00 ! 0.81328 N assign (resid 136 and name HA ) (resid 136 and name HB2 ) 4.06593 2.16593 0.00 ! 0.42 C assign (resid 136 and name HA ) (resid 136 and name HN ) 3.96329 2.06329 0.00 ! 1.52632 N assign (resid 136 and name HD+ ) (resid 138 and name HD+ ) 5.50 3.60 0.00 ! 0.65562 A assign (resid 136 and name HD+ ) (resid 138 and name HE+ ) 3.81741 1.91741 0.00 ! 1.47147 A assign (resid 136 and name HB1 ) (resid 138 and name HE+ ) 4.21975 2.31975 0.00 ! 1.15 A assign (resid 136 and name HG+ ) (resid 138 and name HA ) 5.50 3.60 0.00 ! 0.18570 C assign (resid 136 and name HG+ ) (resid 138 and name HD+ ) 5.50 3.60 0.00 ! 0.44654 A assign (resid 136 and name HG+ ) (resid 138 and name HE+ ) 4.88319 2.98319 0.00 ! 0.80296 A assign (resid 136 and name HB1 ) (resid 136 and name HN ) 3.90159 2.00159 0.00 ! 1.61098 N assign (resid 136 and name HD+ ) (resid 136 and name HA ) 3.84308 1.94308 0.00 ! 0.48247 C assign (resid 136 and name HD+ ) (resid 136 and name HB2 ) 4.79448 2.89448 0.00 ! 0.28 C assign (resid 136 and name HD+ ) (resid 137 and name HN ) 4.58147 2.68147 0.00 ! 0.92705 N assign (resid 136 and name HG+ ) (resid 136 and name HA ) 3.69907 1.79907 0.00 ! 0.53 C assign (resid 136 and name HG+ ) (resid 136 and name HB2 ) 4.37872 2.47872 0.00 ! 0.35 C assign (resid 136 and name HA ) (resid 137 and name HB+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 136 and name HG+ ) (resid 137 and name HN ) 4.94532 3.04532 0.00 ! 0.71274 N assign (resid 136 and name HB2 ) (resid 136 and name HE ) 4.89165 2.99165 0.00 ! 0.74 N assign (resid 136 and name HD+ ) (resid 136 and name HE ) 3.72875 1.82875 0.00 ! 1.88270 N assign (resid 136 and name HG+ ) (resid 136 and name HE ) 5.50 3.60 0.00 ! 0.43662 N assign (resid 137 and name HA ) (resid 137 and name HB+ ) 3.61719 1.71719 0.00 ! 0.56 C assign (resid 137 and name HA ) (resid 138 and name HN ) 2.7866 0.886596 0.00 ! 5.12749 N assign (resid 137 and name HA ) (resid 138 and name HD+ ) 5.50 3.60 0.00 ! 0.00000 A assign (resid 137 and name HA ) (resid 139 and name HN ) 4.94673 3.04673 0.00 ! 0.71204 N assign (resid 137 and name HB+ ) (resid 137 and name HA ) 3.28453 1.38453 0.00 ! 0.71 C assign (resid 137 and name HB+ ) (resid 137 and name HN ) 3.19592 1.29592 0.00 ! 3.2 N assign (resid 137 and name HB+ ) (resid 138 and name HN ) 5.29814 3.39814 0.00 ! 0.56231 N assign (resid 137 and name HB+ ) (resid 140 and name HN ) 3.9456 2.0456 0.00 ! 1.55 N assign (resid 138 and name HA ) (resid 138 and name HN ) 3.93804 2.03804 0.00 ! 1.56025 N assign (resid 138 and name HA ) (resid 139 and name HN ) 4.69158 2.79158 0.00 ! 0.85432 N assign (resid 138 and name HA ) (resid 139 and name HG2+ ) 5.50 3.60 0.00 ! 0.00000 C assign (resid 138 and name HA ) (resid 140 and name HN ) 5.35197 3.45197 0.00 ! 0.54309 N assign (resid 138 and name HB1 ) (resid 138 and name HA ) 3.01007 1.11007 0.00 ! 0.88 C assign (resid 138 and name HB2 ) (resid 138 and name HN ) 3.56369 1.66369 0.00 ! 2.20 N assign (resid 138 and name HB2 ) (resid 139 and name HN ) 5.07957 3.17957 0.00 ! 0.65 N assign (resid 138 and name HD+ ) (resid 138 and name HN ) 3.19067 1.29067 0.00 ! 3.21816 N assign (resid 138 and name HA ) (resid 138 and name HD+ ) 3.21373 1.31373 0.00 ! 2.24730 A assign (resid 138 and name HD+ ) (resid 139 and name HG2+ ) 5.50 3.60 0.00 ! 0.38984 A assign (resid 138 and name HA ) (resid 138 and name HE+ ) 5.50 3.60 0.00 ! 0.57847 A assign (resid 138 and name HE+ ) (resid 138 and name HN ) 5.20732 3.30732 0.00 ! 0.59677 N assign (resid 138 and name HN ) (resid 139 and name HG2+ ) 4.56443 2.66443 0.00 ! 0.93901 N assign (resid 138 and name HN ) (resid 139 and name HN ) 3.55884 1.65884 0.00 ! 2.21033 N assign (resid 138 and name HN ) (resid 140 and name HN ) 4.58745 2.68745 0.00 ! 0.92290 N assign (resid 139 and name HA ) (resid 140 and name HN ) 3.72221 1.82221 0.00 ! 1.89410 N assign (resid 139 and name HB ) (resid 139 and name HN ) 5.07996 3.17996 0.00 ! 0.64983 N assign (resid 139 and name HB ) (resid 140 and name HN ) 5.10579 3.20579 0.00 ! 0.63859 N assign (resid 139 and name HG2+ ) (resid 139 and name HN ) 3.05208 1.15208 0.00 ! 3.74929 N assign (resid 139 and name HG2+ ) (resid 140 and name HN ) 4.40608 2.50608 0.00 ! 1.06028 N assign (resid 139 and name HN ) (resid 140 and name HN ) 2.50 0.60 0.00 ! 7.49961 N assign (resid 139 and name HG2+ ) (resid 141 and name HD+ ) 5.50 3.60 0.00 ! 0.17527 C assign (resid 140 and name HA ) (resid 140 and name HN ) 3.51391 1.61391 0.00 ! 2.30909 N assign (resid 140 and name HN ) (resid 140 and name HG+ ) 4.28092 2.38092 0.00 ! 0.37 C assign (resid 140 and name HA ) (resid 140 and name HG+ ) 3.08251 1.18251 0.00 ! 0.83 C assign (resid 140 and name HA ) (resid 142 and name HN ) 3.93022 2.03022 0.00 ! 1.57096 N assign (resid 140 and name HN ) (resid 141 and name HD+ ) 4.66143 2.76143 0.00 ! 0.87348 N assign (resid 140 and name HA ) (resid 141 and name HD+ ) 2.50 0.60 0.00 ! 2.20 C assign (resid 140 and name HA ) (resid 142 and name HN ) 5.50 3.60 0.00 ! 0.18701 C assign (resid 141 and name HA ) (resid 142 and name HN ) 3.84084 1.94084 0.00 ! 1.70033 N assign (resid 141 and name HB+ ) (resid 141 and name HA ) 2.50 0.60 0.00 ! 1.52697 C assign (resid 141 and name HB+ ) (resid 142 and name HN ) 5.03583 3.13583 0.00 ! 0.66963 N assign (resid 141 and name HD+ ) (resid 142 and name HN ) 3.89053 1.99053 0.00 ! 1.62678 N assign (resid 141 and name HD+ ) (resid 143 and name HD++ ) 3.8107 1.9107 0.00 ! 0.49262 C assign (resid 142 and name HA ) (resid 143 and name HN ) 3.82752 1.92752 0.00 ! 1.72078 N assign (resid 142 and name HB+ ) (resid 142 and name HN ) 2.82865 0.928646 0.00 ! 4.87 N assign (resid 142 and name HB+ ) (resid 143 and name HN ) 3.96808 2.06808 0.00 ! 1.52 N assign (resid 142 and name HN ) (resid 143 and name HD++ ) 5.15659 3.25659 0.00 ! 0.61721 N assign (resid 142 and name HN ) (resid 143 and name HN ) 2.92335 1.02335 0.00 ! 4.34839 N assign (resid 143 and name HA ) (resid 143 and name HB+ ) 2.65352 0.753516 0.00 ! 1.20 C assign (resid 143 and name HA ) (resid 143 and name HN ) 3.34673 1.44673 0.00 ! 2.73064 N assign (resid 143 and name HG ) (resid 143 and name HA ) 4.47284 2.57284 0.00 ! 0.33216 C assign (resid 143 and name HA ) (resid 144 and name HG+ ) 4.22834 2.32834 0.00 ! 0.38142 C assign (resid 143 and name HB+ ) (resid 143 and name HN ) 2.60561 0.705608 0.00 ! 6.46 N assign (resid 143 and name HB+ ) (resid 144 and name HD+ ) 2.50 0.60 0.00 ! 1.67 C assign (resid 143 and name HD++ ) (resid 143 and name HA ) 2.50 0.60 0.00 ! 1.65472 C assign (resid 143 and name HD++ ) (resid 143 and name HB+ ) 2.50 0.60 0.00 ! 1.58 C assign (resid 143 and name HD++ ) (resid 143 and name HN ) 3.31625 1.41625 0.00 ! 2.81795 N assign (resid 143 and name HD++ ) (resid 144 and name HD+ ) 3.76307 1.86307 0.00 ! 0.50810 C assign (resid 143 and name HN ) (resid 143 and name HG ) 4.05278 2.15278 0.00 ! 0.42336 C assign (resid 143 and name HN ) (resid 144 and name HD+ ) 4.79124 2.89124 0.00 ! 0.79473 N assign (resid 144 and name HA ) (resid 144 and name HB+ ) 2.50 0.60 0.00 ! 1.55 C assign (resid 144 and name HA ) (resid 145 and name HN ) 2.50 0.60 0.00 ! 7.78926 N assign (resid 144 and name HB+ ) (resid 145 and name HN ) 3.19592 1.29592 0.00 ! 3.2 N assign (resid 144 and name HB+ ) (resid 144 and name HD+ ) 3.8488 1.9488 0.00 ! 0.48071 C assign (resid 144 and name HB+ ) (resid 146 and name HN ) 5.33618 3.43618 0.00 ! 0.54864 N assign (resid 144 and name HG+ ) (resid 144 and name HA ) 5.50 3.60 0.00 ! 0.24261 C assign (resid 144 and name HG+ ) (resid 144 and name HD+ ) 2.50 0.60 0.00 ! 1.87 C assign (resid 144 and name HG+ ) (resid 146 and name HN ) 5.13964 3.23964 0.00 ! 0.62424 N assign (resid 145 and name HA ) (resid 145 and name HB+ ) 2.50 0.60 0.00 ! 1.52 C assign (resid 145 and name HB+ ) (resid 145 and name HN ) 3.62414 1.72414 0.00 ! 2.07633 N assign (resid 145 and name HN ) (resid 145 and name HB+ ) 4.14738 2.24738 0.00 ! 0.4 C assign (resid 145 and name HB+ ) (resid 146 and name HN ) 4.94387 3.04387 0.00 ! 0.71346 N assign (resid 145 and name HB+ ) (resid 147 and name HN ) 5.50 3.60 0.00 ! 0.45252 N assign (resid 145 and name HN ) (resid 146 and name HN ) 2.93716 1.03716 0.00 ! 4.27847 N assign (resid 146 and name HA+ ) (resid 146 and name HN ) 2.50 0.60 0.00 ! 9.06 N assign (resid 146 and name HA+ ) (resid 147 and name HN ) 2.62467 0.724673 0.00 ! 6.3 N
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