Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
623955 | 5oay RC | 34153 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
# Restraints file 2: dihedral.tbl
!phi restraints
!phi angle 21
assign (resid 20 and name C) (resid 21 and name N)
(resid 21 and name CA) (resid 21 and name C) 1.0 -79.9 15.8 2
!phi angle 22
assign (resid 21 and name C) (resid 22 and name N)
(resid 22 and name CA) (resid 22 and name C) 1.0 -65.5 7.3 2
!phi angle 23
assign (resid 22 and name C) (resid 23 and name N)
(resid 23 and name CA) (resid 23 and name C) 1.0 -66.7 5.3 2
!phi angle 24
assign (resid 23 and name C) (resid 24 and name N)
(resid 24 and name CA) (resid 24 and name C) 1.0 -65.4 5.1 2
!phi angle 25
assign (resid 24 and name C) (resid 25 and name N)
(resid 25 and name CA) (resid 25 and name C) 1.0 -69.6 5.9 2
!phi angle 26
assign (resid 25 and name C) (resid 26 and name N)
(resid 26 and name CA) (resid 26 and name C) 1.0 -104.2 8.5 2
!phi angle 27
assign (resid 26 and name C) (resid 27 and name N)
(resid 27 and name CA) (resid 27 and name C) 1.0 -61.4 6.9 2
!phi angle 28 no restraint
!phi angle 29 no restraint
!phi angle 30
assign (resid 29 and name C) (resid 30 and name N)
(resid 30 and name CA) (resid 30 and name C) 1.0 -61.8 7.8 2
!phi angle 31
assign (resid 30 and name C) (resid 31 and name N)
(resid 31 and name CA) (resid 31 and name C) 1.0 -94.4 10.1 2
!phi angle 32 warn but OK
assign (resid 31 and name C) (resid 32 and name N)
(resid 32 and name CA) (resid 32 and name C) 1.0 -100.0 16.4 2
!phi angle 33
assign (resid 32 and name C) (resid 33 and name N)
(resid 33 and name CA) (resid 33 and name C) 1.0 -91.5 20.4 2
!phi angle 34
assign (resid 33 and name C) (resid 34 and name N)
(resid 34 and name CA) (resid 34 and name C) 1.0 -58.8 6.0 2
!phi angle 35
assign (resid 34 and name C) (resid 35 and name N)
(resid 35 and name CA) (resid 35 and name C) 1.0 -65.2 6.6 2
!phi angle 36
assign (resid 35 and name C) (resid 36 and name N)
(resid 36 and name CA) (resid 36 and name C) 1.0 -77.0 12.7 2
!phi angle 37
assign (resid 36 and name C) (resid 37 and name N)
(resid 37 and name CA) (resid 37 and name C) 1.0 -96.3 8.4 2
!phi angle 38
assign (resid 37 and name C) (resid 38 and name N)
(resid 38 and name CA) (resid 38 and name C) 1.0 -107.3 24.0 2
!phi angle 39
assign (resid 38 and name C) (resid 39 and name N)
(resid 39 and name CA) (resid 39 and name C) 1.0 -66.8 7.0 2
!phi angle 40
assign (resid 39 and name C) (resid 40 and name N)
(resid 40 and name CA) (resid 40 and name C) 1.0 -82.8 18.6 2
!phi angle 41 not included as warn
!assign (resid 40 and name C) (resid 41 and name N)
! (resid 41 and name CA) (resid 41 and name C) 1.0 -120.6 40.4 2
!phi angle 42
assign (resid 41 and name C) (resid 42 and name N)
(resid 42 and name CA) (resid 42 and name C) 1.0 -107.0 15.8 2
!phi angle 43
assign (resid 42 and name C) (resid 43 and name N)
(resid 43 and name CA) (resid 43 and name C) 1.0 -133.8 33.9 2
!phi angle 44 do not include - warn
!assign (resid 43 and name C) (resid 44 and name N)
! (resid 44 and name CA) (resid 44 and name C) 1.0 -57.6 4.5 2
!phi angle 45
assign (resid 44 and name C) (resid 45 and name N)
(resid 45 and name CA) (resid 45 and name C) 1.0 -58.6 7.7 2
!phi angle 46
assign (resid 45 and name C) (resid 46 and name N)
(resid 46 and name CA) (resid 46 and name C) 1.0 -67.6 3.9 2
!phi angle 47
assign (resid 46 and name C) (resid 47 and name N)
(resid 47 and name CA) (resid 47 and name C) 1.0 -68.0 3.6 2
!phi angle 48
assign (resid 47 and name C) (resid 48 and name N)
(resid 48 and name CA) (resid 48 and name C) 1.0 -66.3 2.8 2
!phi angle 49
assign (resid 48 and name C) (resid 49 and name N)
(resid 49 and name CA) (resid 49 and name C) 1.0 -65.1 3.6 2
!phi angle 50
assign (resid 49 and name C) (resid 50 and name N)
(resid 50 and name CA) (resid 50 and name C) 1.0 -64.6 3.6 2
!phi angle 51
assign (resid 50 and name C) (resid 51 and name N)
(resid 51 and name CA) (resid 51 and name C) 1.0 -64.6 2.6 2
!phi angle 52
assign (resid 51 and name C) (resid 52 and name N)
(resid 52 and name CA) (resid 52 and name C) 1.0 -66.4 4.5 2
!phi angle 53
assign (resid 52 and name C) (resid 53 and name N)
(resid 53 and name CA) (resid 53 and name C) 1.0 -66.0 3.3 2
!phi angle 54
assign (resid 53 and name C) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1.0 -63.7 4.4 2
!phi angle 55
assign (resid 54 and name C) (resid 55 and name N)
(resid 55 and name CA) (resid 55 and name C) 1.0 -67.7 4.4 2
!phi angle 56
assign (resid 55 and name C) (resid 56 and name N)
(resid 56 and name CA) (resid 56 and name C) 1.0 -65.8 3.5 2
!phi angle 57
assign (resid 56 and name C) (resid 57 and name N)
(resid 57 and name CA) (resid 57 and name C) 1.0 -71.2 8.8 2
!phi angle 58
assign (resid 57 and name C) (resid 58 and name N)
(resid 58 and name CA) (resid 58 and name C) 1.0 -71.7 9.1 2
!phi angle 59
assign (resid 58 and name C) (resid 59 and name N)
(resid 59 and name CA) (resid 59 and name C) 1.0 -97.5 10.7 2
!phi angle 60
assign (resid 59 and name C) (resid 60 and name N)
(resid 60 and name CA) (resid 60 and name C) 1.0 -68.1 7.3 2
!phi angle 61 no restraint
!phi angle 62 no restraint
!phi angle 63
assign (resid 62 and name C) (resid 63 and name N)
(resid 63 and name CA) (resid 63 and name C) 1.0 -116.2 17.4 2
!phi angle 64
assign (resid 63 and name C) (resid 64 and name N)
(resid 64 and name CA) (resid 64 and name C) 1.0 -60.5 4.0 2
!phi angle 65
assign (resid 64 and name C) (resid 65 and name N)
(resid 65 and name CA) (resid 65 and name C) 1.0 -63.4 4.5 2
!phi angle 66
assign (resid 65 and name C) (resid 66 and name N)
(resid 66 and name CA) (resid 66 and name C) 1.0 -65.3 3.9 2
!phi angle 67
assign (resid 66 and name C) (resid 67 and name N)
(resid 67 and name CA) (resid 67 and name C) 1.0 -63.2 4.6 2
!phi angle 68
assign (resid 67 and name C) (resid 68 and name N)
(resid 68 and name CA) (resid 68 and name C) 1.0 -64.8 3.3 2
!phi angle 69
assign (resid 68 and name C) (resid 69 and name N)
(resid 69 and name CA) (resid 69 and name C) 1.0 -64.2 4.2 2
!phi angle 70
assign (resid 69 and name C) (resid 70 and name N)
(resid 70 and name CA) (resid 70 and name C) 1.0 -63.6 3.7 2
!phi angle 71
assign (resid 70 and name C) (resid 71 and name N)
(resid 71 and name CA) (resid 71 and name C) 1.0 -65.1 4.3 2
!phi angle 72
assign (resid 71 and name C) (resid 72 and name N)
(resid 72 and name CA) (resid 72 and name C) 1.0 -67.2 3.9 2
!phi angle 73
assign (resid 72 and name C) (resid 73 and name N)
(resid 73 and name CA) (resid 73 and name C) 1.0 -95.3 8.9 2
!phi angle 74 yes positive
assign (resid 73 and name C) (resid 74 and name N)
(resid 74 and name CA) (resid 74 and name C) 1.0 69.5 5.5 2
!phi angle 75
assign (resid 74 and name C) (resid 75 and name N)
(resid 75 and name CA) (resid 75 and name C) 1.0 -102.5 11.5 2
!phi angle 76 warn but OK
assign (resid 75 and name C) (resid 76 and name N)
(resid 76 and name CA) (resid 76 and name C) 1.0 -69.2 9.1 2
!phi angle 77
assign (resid 76 and name C) (resid 77 and name N)
(resid 77 and name CA) (resid 77 and name C) 1.0 -137.1 18.1 2
!phi angle 78
assign (resid 77 and name C) (resid 78 and name N)
(resid 78 and name CA) (resid 78 and name C) 1.0 -132.2 34.5 2
!phi angle 79 warn but OK
assign (resid 78 and name C) (resid 79 and name N)
(resid 79 and name CA) (resid 79 and name C) 1.0 -76.5 14.6 2
!phi angle 80 warn but OK
assign (resid 79 and name C) (resid 80 and name N)
(resid 80 and name CA) (resid 80 and name C) 1.0 -109.5 26.4 2
!phi angle 81 no restraint
!phi angle 82 no restraint
!phi angle 83
assign (resid 82 and name C) (resid 83 and name N)
(resid 83 and name CA) (resid 83 and name C) 1.0 -130.9 10.7 2
!phi angle 84
assign (resid 83 and name C) (resid 84 and name N)
(resid 84 and name CA) (resid 84 and name C) 1.0 -73.7 8.5 2
!phi angle 85
assign (resid 84 and name C) (resid 85 and name N)
(resid 85 and name CA) (resid 85 and name C) 1.0 -59.1 6.0 2
!phi angle 86
assign (resid 85 and name C) (resid 86 and name N)
(resid 86 and name CA) (resid 86 and name C) 1.0 -66.5 3.9 2
!phi angle 87
assign (resid 86 and name C) (resid 87 and name N)
(resid 87 and name CA) (resid 87 and name C) 1.0 -67.4 3.5 2
!phi angle 88
assign (resid 87 and name C) (resid 88 and name N)
(resid 88 and name CA) (resid 88 and name C) 1.0 -64.0 2.6 2
!phi angle 89
assign (resid 88 and name C) (resid 89 and name N)
(resid 89 and name CA) (resid 89 and name C) 1.0 -64.5 2.7 2
!phi angle 90
assign (resid 89 and name C) (resid 90 and name N)
(resid 90 and name CA) (resid 90 and name C) 1.0 -65.2 4.7 2
!phi angle 91
assign (resid 90 and name C) (resid 91 and name N)
(resid 91 and name CA) (resid 91 and name C) 1.0 -68.1 4.7 2
!phi angle 92
assign (resid 91 and name C) (resid 92 and name N)
(resid 92 and name CA) (resid 92 and name C) 1.0 -67.5 4.3 2
!phi angle 93
assign (resid 92 and name C) (resid 93 and name N)
(resid 93 and name CA) (resid 93 and name C) 1.0 -66.9 4.3 2
!phi angle 94
assign (resid 93 and name C) (resid 94 and name N)
(resid 94 and name CA) (resid 94 and name C) 1.0 -68.4 4.6 2
!phi angle 95
assign (resid 94 and name C) (resid 95 and name N)
(resid 95 and name CA) (resid 95 and name C) 1.0 -67.7 4.4 2
!phi angle 96 disordered from here on
!
!psi restraints
!psi angle 21 warn but dont worry
assign (resid 21 and name N) (resid 21 and name CA)
(resid 21 and name C) (resid 22 and name N) 1.0 -23.4 19.9 2
!psi angle 22
assign (resid 22 and name N) (resid 22 and name CA)
(resid 22 and name C) (resid 23 and name N) 1.0 -40.3 8.0 2
!psi angle 23
assign (resid 23 and name N) (resid 23 and name CA)
(resid 23 and name C) (resid 24 and name N) 1.0 -37.3 8.0 2
!psi angle 24
assign (resid 24 and name N) (resid 24 and name CA)
(resid 24 and name C) (resid 25 and name N) 1.0 -36.8 6.1 2
!psi angle 25
assign (resid 25 and name N) (resid 25 and name CA)
(resid 25 and name C) (resid 26 and name N) 1.0 -28.4 6.0 2
!psi angle 26
assign (resid 26 and name N) (resid 26 and name CA)
(resid 26 and name C) (resid 27 and name N) 1.0 10.9 13.3 2
!psi angle 27
assign (resid 27 and name N) (resid 27 and name CA)
(resid 27 and name C) (resid 28 and name N) 1.0 -37.7 7.5 2
!psi angle 28 no restraint
!psi angle 29 no restraint
!psi angle 30
assign (resid 30 and name N) (resid 30 and name CA)
(resid 30 and name C) (resid 31 and name N) 1.0 -32.3 9.1 2
!psi angle 31
assign (resid 31 and name N) (resid 31 and name CA)
(resid 31 and name C) (resid 32 and name N) 1.0 0.2 8.0 2
!psi angle 32 warn
!psi angle 33
assign (resid 33 and name N) (resid 33 and name CA)
(resid 33 and name C) (resid 34 and name N) 1.0 112.3 11.7 2
!psi angle 34
assign (resid 34 and name N) (resid 34 and name CA)
(resid 34 and name C) (resid 35 and name N) 1.0 -30.7 6.5 2
!psi angle 35
assign (resid 35 and name N) (resid 35 and name CA)
(resid 35 and name C) (resid 36 and name N) 1.0 -24.2 6.7 2
!psi angle 36
assign (resid 36 and name N) (resid 36 and name CA)
(resid 36 and name C) (resid 37 and name N) 1.0 -23.6 11.6 2
!psi angle 37 generous OK
assign (resid 37 and name N) (resid 37 and name CA)
(resid 37 and name C) (resid 38 and name N) 1.0 1.5 11.2 2
!psi angle 38
assign (resid 38 and name N) (resid 38 and name CA)
(resid 38 and name C) (resid 39 and name N) 1.0 118.2 30.2 2
!psi angle 39
assign (resid 39 and name N) (resid 39 and name CA)
(resid 39 and name C) (resid 40 and name N) 1.0 143.1 8.3 2
!psi angle 40
assign (resid 40 and name N) (resid 40 and name CA)
(resid 40 and name C) (resid 41 and name N) 1.0 139.5 14.2 2
!psi angle 41 warn
!psi angle 42
assign (resid 42 and name N) (resid 42 and name CA)
(resid 42 and name C) (resid 43 and name N) 1.0 1.3 15.1 2
!psi angle 43
assign (resid 43 and name N) (resid 43 and name CA)
(resid 43 and name C) (resid 44 and name N) 1.0 164.3 7.6 2
!psi angle 44 warn but OK
assign (resid 44 and name N) (resid 44 and name CA)
(resid 44 and name C) (resid 45 and name N) 1.0 -49.4 4.6 2
!psi angle 45
assign (resid 45 and name N) (resid 45 and name CA)
(resid 45 and name C) (resid 46 and name N) 1.0 -37.9 6.6 2
!psi angle 46
assign (resid 46 and name N) (resid 46 and name CA)
(resid 46 and name C) (resid 47 and name N) 1.0 -40.8 5.5 2
!psi angle 47
assign (resid 47 and name N) (resid 47 and name CA)
(resid 47 and name C) (resid 48 and name N) 1.0 -35.6 6.3 2
!psi angle 48
assign (resid 48 and name N) (resid 48 and name CA)
(resid 48 and name C) (resid 49 and name N) 1.0 -38.0 4.2 2
!psi angle 49
assign (resid 49 and name N) (resid 49 and name CA)
(resid 49 and name C) (resid 50 and name N) 1.0 -41.0 5.3 2
!checked as far as here
!psi angle 50
assign (resid 50 and name N) (resid 50 and name CA)
(resid 50 and name C) (resid 51 and name N) 1.0 -44.1 3.1 2
!psi angle 51
assign (resid 51 and name N) (resid 51 and name CA)
(resid 51 and name C) (resid 52 and name N) 1.0 -38.0 4.7 2
!psi angle 52
assign (resid 52 and name N) (resid 52 and name CA)
(resid 52 and name C) (resid 53 and name N) 1.0 -39.9 5.4 2
!psi angle 53
assign (resid 53 and name N) (resid 53 and name CA)
(resid 53 and name C) (resid 54 and name N) 1.0 -40.2 3.9 2
!psi angle 54
assign (resid 54 and name N) (resid 54 and name CA)
(resid 54 and name C) (resid 55 and name N) 1.0 -40.3 4.8 2
!psi angle 55
assign (resid 55 and name N) (resid 55 and name CA)
(resid 55 and name C) (resid 56 and name N) 1.0 -37.9 5.7 2
!psi angle 56
assign (resid 56 and name N) (resid 56 and name CA)
(resid 56 and name C) (resid 57 and name N) 1.0 -39.6 6.6 2
!psi angle 57
assign (resid 57 and name N) (resid 57 and name CA)
(resid 57 and name C) (resid 58 and name N) 1.0 -24.1 10.3 2
!psi angle 58
assign (resid 58 and name N) (resid 58 and name CA)
(resid 58 and name C) (resid 59 and name N) 1.0 -20.6 9.6 2
!psi angle 59
assign (resid 59 and name N) (resid 59 and name CA)
(resid 59 and name C) (resid 60 and name N) 1.0 3.7 8.9 2
!psi angle 60
assign (resid 60 and name N) (resid 60 and name CA)
(resid 60 and name C) (resid 61 and name N) 1.0 139.6 12.5 2
!psi angle 61 no restraint
!psi angle 62 no restraint
!psi angle 63
assign (resid 63 and name N) (resid 63 and name CA)
(resid 63 and name C) (resid 64 and name N) 1.0 157.4 12.1 2
!psi angle 64
assign (resid 64 and name N) (resid 64 and name CA)
(resid 64 and name C) (resid 65 and name N) 1.0 -33.3 4.7 2
!psi angle 65
assign (resid 65 and name N) (resid 65 and name CA)
(resid 65 and name C) (resid 66 and name N) 1.0 -41.6 4.6 2
!psi angle 66
assign (resid 66 and name N) (resid 66 and name CA)
(resid 66 and name C) (resid 67 and name N) 1.0 -41.7 3.1 2
!psi angle 67
assign (resid 67 and name N) (resid 67 and name CA)
(resid 67 and name C) (resid 68 and name N) 1.0 -42.1 4.9 2
!psi angle 68
assign (resid 68 and name N) (resid 68 and name CA)
(resid 68 and name C) (resid 69 and name N) 1.0 -39.3 4.3 2
!psi angle 69
assign (resid 69 and name N) (resid 69 and name CA)
(resid 69 and name C) (resid 70 and name N) 1.0 -44.2 2.6 2
!psi angle 70
assign (resid 70 and name N) (resid 70 and name CA)
(resid 70 and name C) (resid 71 and name N) 1.0 -43.0 4.7 2
!psi angle 71
assign (resid 71 and name N) (resid 71 and name CA)
(resid 71 and name C) (resid 72 and name N) 1.0 -37.9 4.5 2
!psi angle 72
assign (resid 72 and name N) (resid 72 and name CA)
(resid 72 and name C) (resid 73 and name N) 1.0 -28.9 5.7 2
!psi angle 73
assign (resid 73 and name N) (resid 73 and name CA)
(resid 73 and name C) (resid 74 and name N) 1.0 3.6 5.7 2
!psi angle 74
assign (resid 74 and name N) (resid 74 and name CA)
(resid 74 and name C) (resid 75 and name N) 1.0 30.8 5.5 2
!psi angle 75
assign (resid 75 and name N) (resid 75 and name CA)
(resid 75 and name C) (resid 76 and name N) 1.0 144.1 13.5 2
!psi angle 76 warn
!psi angle 77
assign (resid 77 and name N) (resid 77 and name CA)
(resid 77 and name C) (resid 78 and name N) 1.0 160.1 12.9 2
!psi angle 78 generous
!psi angle 79 warn
!psi angle 80 warn
!psi angle 81 no restraint
!psi angle 82 no restraint
!psi angle 83
assign (resid 83 and name N) (resid 83 and name CA)
(resid 83 and name C) (resid 84 and name N) 1.0 152.1 13.9 2
!psi angle 84
assign (resid 84 and name N) (resid 84 and name CA)
(resid 84 and name C) (resid 85 and name N) 1.0 159.5 5.3 2
!psi angle 85
assign (resid 85 and name N) (resid 85 and name CA)
(resid 85 and name C) (resid 86 and name N) 1.0 -37.0 4.8 2
!psi angle 86
assign (resid 86 and name N) (resid 86 and name CA)
(resid 86 and name C) (resid 87 and name N) 1.0 -39.9 5.9 2
!psi angle 87
assign (resid 87 and name N) (resid 87 and name CA)
(resid 87 and name C) (resid 88 and name N) 1.0 -41.7 2.9 2
!psi angle 88
assign (resid 88 and name N) (resid 88 and name CA)
(resid 88 and name C) (resid 89 and name N) 1.0 -39.8 4.2 2
!psi angle 89
assign (resid 89 and name N) (resid 89 and name CA)
(resid 89 and name C) (resid 90 and name N) 1.0 -41.9 3.4 2
!psi angle 90
assign (resid 90 and name N) (resid 90 and name CA)
(resid 90 and name C) (resid 91 and name N) 1.0 -37.9 4.5 2
!psi angle 91
assign (resid 91 and name N) (resid 91 and name CA)
(resid 91 and name C) (resid 92 and name N) 1.0 -41.5 4.7 2
!psi angle 92
assign (resid 92 and name N) (resid 92 and name CA)
(resid 92 and name C) (resid 93 and name N) 1.0 -37.9 6.5 2
!psi angle 93
assign (resid 93 and name N) (resid 93 and name CA)
(resid 93 and name C) (resid 94 and name N) 1.0 -39.3 5.1 2
!psi angle 94
assign (resid 94 and name N) (resid 94 and name CA)
(resid 94 and name C) (resid 95 and name N) 1.0 -35.5 7.5 2
!psi angle 95
assign (resid 95 and name N) (resid 95 and name CA)
(resid 95 and name C) (resid 96 and name N) 1.0 -32.2 8.7 2
!
!chi1 angles
!chi1 angle 21
assign (resid 21 and name N) (resid 21 and name CA)
(resid 21 and name CB) (resid 21 and name CG) 1.0 -66.4 8.8 2
!chi1 angle 25
assign (resid 25 and name N) (resid 25 and name CA)
(resid 25 and name CB) (resid 25 and name CG) 1.0 -67.8 9.1 2
!chi1 angle 26
assign (resid 26 and name N) (resid 26 and name CA)
(resid 26 and name CB) (resid 26 and name CG) 1.0 -65.4 8.8 2
!chi1 angle 31
assign (resid 31 and name N) (resid 31 and name CA)
(resid 31 and name CB) (resid 31 and name CG) 1.0 -66.4 7.6 2
!chi1 angle 35
assign (resid 35 and name N) (resid 35 and name CA)
(resid 35 and name CB) (resid 35 and name CG) 1.0 -61.2 13.0 2
!chi1 angle 37
assign (resid 37 and name N) (resid 37 and name CA)
(resid 37 and name CB) (resid 37 and name CG) 1.0 -60.0 8.8 2
!chi1 angle 38
assign (resid 38 and name N) (resid 38 and name CA)
(resid 38 and name CB) (resid 38 and name CG) 1.0 -59.8 12.2 2
!chi1 angle 40
assign (resid 40 and name N) (resid 40 and name CA)
(resid 40 and name CB) (resid 40 and name CG1) 1.0 -176.1 6.5 2
!chi1 angle 42
assign (resid 42 and name N) (resid 42 and name CA)
(resid 42 and name CB) (resid 42 and name CG) 1.0 -59.8 10.3 2
!chi1 angle 43
assign (resid 43 and name N) (resid 43 and name CA)
(resid 43 and name CB) (resid 43 and name OG) 1.0 70.2 9.0 2
!chi1 angle 47
assign (resid 47 and name N) (resid 47 and name CA)
(resid 47 and name CB) (resid 47 and name CG) 1.0 -68.2 4.9 2
!chi1 angle 50
assign (resid 50 and name N) (resid 50 and name CA)
(resid 50 and name CB) (resid 50 and name CG1) 1.0 -69.2 6.3 2
!chi1 angle 52
assign (resid 52 and name N) (resid 52 and name CA)
(resid 52 and name CB) (resid 52 and name CG) 1.0 -73.2 7.1 2
!chi1 angle 55
assign (resid 55 and name N) (resid 55 and name CA)
(resid 55 and name CB) (resid 55 and name CG) 1.0 -71.0 8.2 2
!chi1 angle 56
assign (resid 56 and name N) (resid 56 and name CA)
(resid 56 and name CB) (resid 56 and name CG1) 1.0 175.2 7.0 2
!Cys57 restraint removed because of possible paramagnetic problems on shifts
!chi1 angle 58
assign (resid 58 and name N) (resid 58 and name CA)
(resid 58 and name CB) (resid 58 and name CG) 1.0 -66.7 5.5 2
!chi1 angle 59
assign (resid 59 and name N) (resid 59 and name CA)
(resid 59 and name CB) (resid 59 and name CG) 1.0 -63.1 9.6 2
!Cys60 restraint removed because of possible paramagnetic problems on shifts
!chi1 angle 63
assign (resid 63 and name N) (resid 63 and name CA)
(resid 63 and name CB) (resid 63 and name OG1) 1.0 65.7 5.0 2
!Cys66 restraint removed because of possible paramagnetic problems on shifts
!chi1 angle 67
assign (resid 67 and name N) (resid 67 and name CA)
(resid 67 and name CB) (resid 67 and name CG) 1.0 -70.8 6.4 2
!chi1 angle 71
assign (resid 71 and name N) (resid 71 and name CA)
(resid 71 and name CB) (resid 71 and name CG) 1.0 -67.9 4.8 2
!chi1 angle 72
assign (resid 72 and name N) (resid 72 and name CA)
(resid 72 and name CB) (resid 72 and name CG) 1.0 -67.5 8.9 2
!chi1 angle 73
assign (resid 73 and name N) (resid 73 and name CA)
(resid 73 and name CB) (resid 73 and name OG1) 1.0 64.3 4.6 2
!chi1 angle 75
assign (resid 75 and name N) (resid 75 and name CA)
(resid 75 and name CB) (resid 75 and name CG) 1.0 -62.5 9.0 2
!chi1 angle 76
assign (resid 76 and name N) (resid 76 and name CA)
(resid 76 and name CB) (resid 76 and name CG) 1.0 -65.5 8.8 2
!chi1 angle 79
assign (resid 79 and name N) (resid 79 and name CA)
(resid 79 and name CB) (resid 79 and name CG1) 1.0 -175.2 12.4 2
!chi1 angle 84
assign (resid 84 and name N) (resid 84 and name CA)
(resid 84 and name CB) (resid 84 and name OG) 1.0 70.0 6.7 2
!chi1 angle 86
assign (resid 86 and name N) (resid 86 and name CA)
(resid 86 and name CB) (resid 86 and name CG) 1.0 -70.5 7.3 2
!chi1 angle 95
assign (resid 95 and name N) (resid 95 and name CA)
(resid 95 and name CB) (resid 95 and name CG) 1.0 -72.4 7.7 2
!
! restraint on chirality around the cluster to get it same as model
!
!assign (resid 29 and name SG) (resid 57 and name SG)
! (resid 60 and name SG) (resid 66 and names SG) 1.0 80.0 10.0 2