NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
551398 | 2ln7 | 18152 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
! Phi and Psi constraints are based on the results of TALOS ! only for residues with 'Good' status. ! ! The center value is the avergae of TALOS predictions. ! ! The range of constrains are three times of standard deviation ! of TALOS predictions. But if such a value is smaller than 20 ! degree, the range is set to 20 degree. ! J.I. ! !E9 (TALOS: Phi -92.0 +/- 26.0 , TALOS: Psi 139.0 +/- 12.0 ) !assign (resid 8 and name C) (resid 9 and name N) ! (resid 9 and name CA) (resid 9 and name C) 1.0 -92.0 78.0 2 !assign (resid 9 and name N) (resid 9 and name CA) ! (resid 9 and name C) (resid 10 and name N) 1.0 139.0 36.0 2 !H10 (TALOS: Phi -93.0 +/- 16.0 , TALOS: Psi 141.0 +/- 16.0 ) !assign (resid 9 and name C) (resid 10 and name N) ! (resid 10 and name CA) (resid 10 and name C) 1.0 -93.0 48.0 2 !assign (resid 10 and name N) (resid 10 and name CA) ! (resid 10 and name C) (resid 11 and name N) 1.0 141.0 48.0 2 !K11 (TALOS: Phi -90.0 +/- 30.0 , TALOS: Psi 145.0 +/- 20.0 ) !assign (resid 10 and name C) (resid 11 and name N) ! (resid 11 and name CA) (resid 11 and name C) 1.0 -90.0 90.0 2 !assign (resid 11 and name N) (resid 11 and name CA) ! (resid 11 and name C) (resid 12 and name N) 1.0 145.0 60.0 2 !K12 keeping phi of 12 into better rama space assign (resid 11 and name C) (resid 12 and name N) (resid 12 and name CA) (resid 12 and name C) 1.0 -90.0 30.0 2 !G13 (TALOS: Phi 85.0 +/- 23.0 , TALOS: Psi 1.0 +/- 30.0 ) assign (resid 12 and name C) (resid 13 and name N) (resid 13 and name CA) (resid 13 and name C) 1.0 85.0 69.0 2 assign (resid 13 and name N) (resid 13 and name CA) (resid 13 and name C) (resid 14 and name N) 1.0 1.0 90.0 2 !V16 (TALOS: Phi -143.0 +/- 14.0 , TALOS: Psi 152.0 +/- 13.0 ) assign (resid 15 and name C) (resid 16 and name N) (resid 16 and name CA) (resid 16 and name C) 1.0 -143.0 42.0 2 !assign (resid 16 and name N) (resid 16 and name CA) ! (resid 16 and name C) (resid 17 and name N) 1.0 152.0 39.0 2 !A17 (TALOS: Phi -150.0 +/- 10.0 , TALOS: Psi 153.0 +/- 5.0 ) !assign (resid 16 and name C) (resid 17 and name N) ! (resid 17 and name CA) (resid 17 and name C) 1.0 -150.0 30.0 2 assign (resid 17 and name N) (resid 17 and name CA) (resid 17 and name C) (resid 18 and name N) 1.0 153.0 20.0 2 !M18 (TALOS: Phi -146.0 +/- 11.0 , TALOS: Psi 139.0 +/- 13.0 ) assign (resid 17 and name C) (resid 18 and name N) (resid 18 and name CA) (resid 18 and name C) 1.0 -146.0 33.0 2 assign (resid 18 and name N) (resid 18 and name CA) (resid 18 and name C) (resid 19 and name N) 1.0 139.0 39.0 2 !L19 (TALOS: Phi -136.0 +/- 14.0 , TALOS: Psi 134.0 +/- 8.0 ) assign (resid 18 and name C) (resid 19 and name N) (resid 19 and name CA) (resid 19 and name C) 1.0 -136.0 42.0 2 assign (resid 19 and name N) (resid 19 and name CA) (resid 19 and name C) (resid 20 and name N) 1.0 134.0 24.0 2 !N20 (TALOS: Phi -115.0 +/- 10.0 , TALOS: Psi 130.0 +/- 11.0 ) assign (resid 19 and name C) (resid 20 and name N) (resid 20 and name CA) (resid 20 and name C) 1.0 -115.0 30.0 2 assign (resid 20 and name N) (resid 20 and name CA) (resid 20 and name C) (resid 21 and name N) 1.0 130.0 33.0 2 !I21 (TALOS: Phi -116.8 +/- 21.2 , TALOS: Psi 126.2 +/- 13.5 ) assign (resid 20 and name C) (resid 21 and name N) (resid 21 and name CA) (resid 21 and name C) 1.0 -116.8 63.6 2 assign (resid 21 and name N) (resid 21 and name CA) (resid 21 and name C) (resid 22 and name N) 1.0 126.2 40.5 2 !K23 (TALOS: Phi -90.0 +/- 20.0 , TALOS: Psi -38.0 +/- 12.0 ) assign (resid 22 and name C) (resid 23 and name N) (resid 23 and name CA) (resid 23 and name C) 1.0 -90.0 60.0 2 assign (resid 23 and name N) (resid 23 and name CA) (resid 23 and name C) (resid 24 and name N) 1.0 -38.0 36.0 2 !L24 (TALOS: Phi -104.0 +/- 23.0 , TALOS: Psi -15.0 +/- 25.0 ) assign (resid 23 and name C) (resid 24 and name N) (resid 24 and name CA) (resid 24 and name C) 1.0 -104.0 69.0 2 assign (resid 24 and name N) (resid 24 and name CA) (resid 24 and name C) (resid 25 and name N) 1.0 -15.0 75.0 2 !K25 (TALOS: Phi 57.0 +/- 4.0 , TALOS: Psi 47.0 +/- 12.0 ) assign (resid 24 and name C) (resid 25 and name N) (resid 25 and name CA) (resid 25 and name C) 1.0 57.0 20.0 2 assign (resid 25 and name N) (resid 25 and name CA) (resid 25 and name C) (resid 26 and name N) 1.0 47.0 36.0 2 !K26 (TALOS: Phi -113.0 +/- 24.0 , TALOS: Psi 149.0 +/- 11.0 ) assign (resid 25 and name C) (resid 26 and name N) (resid 26 and name CA) (resid 26 and name C) 1.0 -113.0 72.0 2 assign (resid 26 and name N) (resid 26 and name CA) (resid 26 and name C) (resid 27 and name N) 1.0 149.0 33.0 2 !K27 (TALOS: Phi -143.9 +/- 21.8 , TALOS: Psi 152.0 +/- 10.2 ) assign (resid 26 and name C) (resid 27 and name N) (resid 27 and name CA) (resid 27 and name C) 1.0 -143.9 65.5 2 assign (resid 27 and name N) (resid 27 and name CA) (resid 27 and name C) (resid 28 and name N) 1.0 152.0 30.7 2 !F28 (TALOS: Phi -140.5 +/- 14.5 , TALOS: Psi 134.3 +/- 11.4 ) assign (resid 27 and name C) (resid 28 and name N) (resid 28 and name CA) (resid 28 and name C) 1.0 -140.5 43.6 2 assign (resid 28 and name N) (resid 28 and name CA) (resid 28 and name C) (resid 29 and name N) 1.0 134.3 34.2 2 !S29 (TALOS: Phi -96.0 +/- 32.0 , TALOS: Psi 135.0 +/- 7.0 ) assign (resid 28 and name C) (resid 29 and name N) (resid 29 and name CA) (resid 29 and name C) 1.0 -96.0 96.0 2 assign (resid 29 and name N) (resid 29 and name CA) (resid 29 and name C) (resid 30 and name N) 1.0 135.0 21.0 2 !I30 (TALOS: Phi -123.7 +/- 17.6 , TALOS: Psi 137.9 +/- 16.8 ) assign (resid 29 and name C) (resid 30 and name N) (resid 30 and name CA) (resid 30 and name C) 1.0 -123.7 52.7 2 assign (resid 30 and name N) (resid 30 and name CA) (resid 30 and name C) (resid 31 and name N) 1.0 137.9 50.3 2 !Y31 (TALOS: Phi -134.0 +/- 18.1 , TALOS: Psi 145.7 +/- 16.0 ) assign (resid 30 and name C) (resid 31 and name N) (resid 31 and name CA) (resid 31 and name C) 1.0 -134.0 54.3 2 assign (resid 31 and name N) (resid 31 and name CA) (resid 31 and name C) (resid 32 and name N) 1.0 145.7 48.0 2 !W32 (TALOS: Phi -136.4 +/- 24.9 , TALOS: Psi 137.4 +/- 16.6 ) assign (resid 31 and name C) (resid 32 and name N) (resid 32 and name CA) (resid 32 and name C) 1.0 -136.4 74.8 2 assign (resid 32 and name N) (resid 32 and name CA) (resid 32 and name C) (resid 33 and name N) 1.0 137.4 49.8 2 !A34 (TALOS: Phi -130.0 +/- 30.0 , TALOS: Psi 154.0 +/- 17.0 ) assign (resid 33 and name C) (resid 34 and name N) (resid 34 and name CA) (resid 34 and name C) 1.0 -130.0 90.0 2 assign (resid 34 and name N) (resid 34 and name CA) (resid 34 and name C) (resid 35 and name N) 1.0 154.0 75.0 2 ! widened to avoid violaton !D35 (TALOS: Phi -73.0 +/- 10.0 , TALOS: Psi 133.0 +/- 35.0 ) assign (resid 34 and name C) (resid 35 and name N) (resid 35 and name CA) (resid 35 and name C) 1.0 -73.0 30.0 2 assign (resid 35 and name N) (resid 35 and name CA) (resid 35 and name C) (resid 36 and name N) 1.0 133.0 105.0 2 !D36 (TALOS: Phi -61.9 +/- 9.2 , TALOS: Psi -40.4 +/- 8.5 ) assign (resid 35 and name C) (resid 36 and name N) (resid 36 and name CA) (resid 36 and name C) 1.0 -61.9 27.5 2 assign (resid 36 and name N) (resid 36 and name CA) (resid 36 and name C) (resid 37 and name N) 1.0 -40.4 45.0 2 ! widened to avoid violation !A37 (TALOS: Phi -64.4 +/- 5.4 , TALOS: Psi -38.6 +/- 6.6 ) assign (resid 36 and name C) (resid 37 and name N) (resid 37 and name CA) (resid 37 and name C) 1.0 -64.4 20.0 2 assign (resid 37 and name N) (resid 37 and name CA) (resid 37 and name C) (resid 38 and name N) 1.0 -38.6 30.0 2 ! widened to avoid violation !T38 (TALOS: Phi -71.7 +/- 12.5 , TALOS: Psi -45.6 +/- 3.6 ) assign (resid 37 and name C) (resid 38 and name N) (resid 38 and name CA) (resid 38 and name C) 1.0 -71.7 37.6 2 !G42 (TALOS: Phi 81.9 +/- 11.3 , TALOS: Psi 5.3 +/- 19.9 ) !assign (resid 41 and name C) (resid 42 and name N) ! (resid 42 and name CA) (resid 42 and name C) 1.0 81.9 34.0 2 ! not to be trusted assign (resid 42 and name N) (resid 42 and name CA) (resid 42 and name C) (resid 43 and name N) 1.0 5.3 59.6 2 !V43 (TALOS: Phi -129.0 +/- 18.0 , TALOS: Psi 129.0 +/- 12.0 ) assign (resid 42 and name C) (resid 43 and name N) (resid 43 and name CA) (resid 43 and name C) 1.0 -129.0 54.0 2 assign (resid 43 and name N) (resid 43 and name CA) (resid 43 and name C) (resid 44 and name N) 1.0 129.0 36.0 2 !G44 (TALOS: Phi -129.0 +/- 33.0 , TALOS: Psi 136.0 +/- 17.0 ) assign (resid 43 and name C) (resid 44 and name N) (resid 44 and name CA) (resid 44 and name C) 1.0 -129.0 99.0 2 assign (resid 44 and name N) (resid 44 and name CA) (resid 44 and name C) (resid 45 and name N) 1.0 136.0 51.0 2 !M45 (TALOS: Phi -97.0 +/- 31.0 , TALOS: Psi 129.0 +/- 16.0 ) assign (resid 44 and name C) (resid 45 and name N) (resid 45 and name CA) (resid 45 and name C) 1.0 -97.0 93.0 2 assign (resid 45 and name N) (resid 45 and name CA) (resid 45 and name C) (resid 46 and name N) 1.0 129.0 48.0 2 !F46 (TALOS: Phi -85.0 +/- 24.0 , TALOS: Psi 129.0 +/- 10.0 ) assign (resid 45 and name C) (resid 46 and name N) (resid 46 and name CA) (resid 46 and name C) 1.0 -85.0 72.0 2 assign (resid 46 and name N) (resid 46 and name CA) (resid 46 and name C) (resid 47 and name N) 1.0 129.0 30.0 2 !S48 (TALOS: Phi -115.0 +/- 38.0 , TALOS: Psi 168.0 +/- 19.0 ) assign (resid 47 and name C) (resid 48 and name N) (resid 48 and name CA) (resid 48 and name C) 1.0 -115.0 114.0 2 assign (resid 48 and name N) (resid 48 and name CA) (resid 48 and name C) (resid 49 and name N) 1.0 168.0 20.0 2 ! manually reduced to +/- 20 !D49 (TALOS: Phi -78.7 +/- 18.0 , TALOS: Psi -24.4 +/- 13.3 ) assign (resid 48 and name C) (resid 49 and name N) (resid 49 and name CA) (resid 49 and name C) 1.0 -78.7 54.1 2 assign (resid 49 and name N) (resid 49 and name CA) (resid 49 and name C) (resid 50 and name N) 1.0 -24.4 39.9 2 !V50 (TALOS: Phi -117.1 +/- 10.7 , TALOS: Psi 2.3 +/- 14.3 ) assign (resid 49 and name C) (resid 50 and name N) (resid 50 and name CA) (resid 50 and name C) 1.0 -117.1 32.2 2 assign (resid 50 and name N) (resid 50 and name CA) (resid 50 and name C) (resid 51 and name N) 1.0 2.3 43.0 2 !T51 (TALOS: Phi -140.5 +/- 20.9 , TALOS: Psi 151.1 +/- 11.4 ) assign (resid 50 and name C) (resid 51 and name N) (resid 51 and name CA) (resid 51 and name C) 1.0 -140.5 62.8 2 assign (resid 51 and name N) (resid 51 and name CA) (resid 51 and name C) (resid 52 and name N) 1.0 151.1 34.2 2 !T52 (TALOS: Phi -113.0 +/- 34.4 , TALOS: Psi 160.4 +/- 14.5 ) assign (resid 51 and name C) (resid 52 and name N) (resid 52 and name CA) (resid 52 and name C) 1.0 -113.0 103.2 2 assign (resid 52 and name N) (resid 52 and name CA) (resid 52 and name C) (resid 53 and name N) 1.0 160.4 26 2 ! manually reduced to +/- 26 !T53 (TALOS: Phi -87.0 +/- 22.0 , TALOS: Psi 154.0 +/- 30.0 ) assign (resid 52 and name C) (resid 53 and name N) (resid 53 and name CA) (resid 53 and name C) 1.0 -87.0 66.0 2 assign (resid 53 and name N) (resid 53 and name CA) (resid 53 and name C) (resid 54 and name N) 1.0 154.0 90.0 2 !S55 (TALOS: Phi -86.8 +/- 21.8 , TALOS: Psi -23.3 +/- 22.8 ) assign (resid 54 and name C) (resid 55 and name N) (resid 55 and name CA) (resid 55 and name C) 1.0 -86.8 65.5 2 assign (resid 55 and name N) (resid 55 and name CA) (resid 55 and name C) (resid 56 and name N) 1.0 -23.3 68.4 2 !H59 (TALOS: Phi -103.5 +/- 14.9 , TALOS: Psi 129.4 +/- 13.3 ) assign (resid 58 and name C) (resid 59 and name N) (resid 59 and name CA) (resid 59 and name C) 1.0 -103.5 44.7 2 assign (resid 59 and name N) (resid 59 and name CA) (resid 59 and name C) (resid 60 and name N) 1.0 129.4 39.9 2 !T60 (TALOS: Phi -116.3 +/- 23.1 , TALOS: Psi 133.3 +/- 11.3 ) assign (resid 59 and name C) (resid 60 and name N) (resid 60 and name CA) (resid 60 and name C) 1.0 -116.3 69.4 2 assign (resid 60 and name N) (resid 60 and name CA) (resid 60 and name C) (resid 61 and name N) 1.0 133.3 34.0 2 !V61 (TALOS: Phi -121.9 +/- 12.7 , TALOS: Psi 135.8 +/- 15.1 ) assign (resid 60 and name C) (resid 61 and name N) (resid 61 and name CA) (resid 61 and name C) 1.0 -121.9 38.2 2 assign (resid 61 and name N) (resid 61 and name CA) (resid 61 and name C) (resid 62 and name N) 1.0 135.8 45.4 2 !L62 (TALOS: Phi -120.4 +/- 13.0 , TALOS: Psi 138.7 +/- 13.2 ) assign (resid 61 and name C) (resid 62 and name N) (resid 62 and name CA) (resid 62 and name C) 1.0 -120.4 38.9 2 assign (resid 62 and name N) (resid 62 and name CA) (resid 62 and name C) (resid 63 and name N) 1.0 138.7 39.5 2 !S63 (TALOS: Phi -130.2 +/- 15.6 , TALOS: Psi 145.7 +/- 12.4 ) assign (resid 62 and name C) (resid 63 and name N) (resid 63 and name CA) (resid 63 and name C) 1.0 -130.2 46.8 2 assign (resid 63 and name N) (resid 63 and name CA) (resid 63 and name C) (resid 64 and name N) 1.0 145.7 37.3 2 !D72 (TALOS: Phi -61.7 +/- 6.3 , TALOS: Psi -43.3 +/- 6.5 ) assign (resid 71 and name C) (resid 72 and name N) (resid 72 and name CA) (resid 72 and name C) 1.0 -61.7 20.0 2 assign (resid 72 and name N) (resid 72 and name CA) (resid 72 and name C) (resid 73 and name N) 1.0 -43.3 20.0 2 !L73 (TALOS: Phi -63.5 +/- 3.6 , TALOS: Psi -43.3 +/- 6.5 ) assign (resid 72 and name C) (resid 73 and name N) (resid 73 and name CA) (resid 73 and name C) 1.0 -63.5 20.0 2 assign (resid 73 and name N) (resid 73 and name CA) (resid 73 and name C) (resid 74 and name N) 1.0 -43.3 30.0 2 ! manually widened to +/- 30 !G74 (TALOS: Phi -64.9 +/- 9.3 , TALOS: Psi -37.5 +/- 9.0 ) assign (resid 73 and name C) (resid 74 and name N) (resid 74 and name CA) (resid 74 and name C) 1.0 -64.9 28.0 2 assign (resid 74 and name N) (resid 74 and name CA) (resid 74 and name C) (resid 75 and name N) 1.0 -37.5 27.0 2 !Q75 (TALOS: Phi -83.8 +/- 19.9 , TALOS: Psi -29.6 +/- 12.8 ) assign (resid 74 and name C) (resid 75 and name N) (resid 75 and name CA) (resid 75 and name C) 1.0 -83.8 59.7 2 assign (resid 75 and name N) (resid 75 and name CA) (resid 75 and name C) (resid 76 and name N) 1.0 -29.6 38.5 2 !76 (this is artificial - trying to put phi of 76 into good space assign (resid 75 and name C) (resid 76 and name N) (resid 76 and name CA) (resid 76 and name C) 1.0 -120.0 30.0 2 assign (resid 76 and name N) (resid 76 and name CA) (resid 76 and name C) (resid 77 and name N) 1.0 80.0 40.0 2 !K77 (TALOS: Phi -112.4 +/- 25.0 , TALOS: Psi 156.4 +/- 11.5 ) assign (resid 76 and name C) (resid 77 and name N) (resid 77 and name CA) (resid 77 and name C) 1.0 -112.4 75.1 2 assign (resid 77 and name N) (resid 77 and name CA) (resid 77 and name C) (resid 78 and name N) 1.0 156.4 34.4 2 !E78 (TALOS: Phi -58.3 +/- 4.0 , TALOS: Psi -41.1 +/- 10.1 ) assign (resid 77 and name C) (resid 78 and name N) (resid 78 and name CA) (resid 78 and name C) 1.0 -58.3 20.0 2 assign (resid 78 and name N) (resid 78 and name CA) (resid 78 and name C) (resid 79 and name N) 1.0 -41.1 30.4 2 !K79 (TALOS: Phi -63.0 +/- 8.0 , TALOS: Psi -38.0 +/- 6.0 ) assign (resid 78 and name C) (resid 79 and name N) (resid 79 and name CA) (resid 79 and name C) 1.0 -63.0 24.0 2 assign (resid 79 and name N) (resid 79 and name CA) (resid 79 and name C) (resid 80 and name N) 1.0 -38.0 20.0 2 !T81 (TALOS: Phi -145.4 +/- 21.9 , TALOS: Psi 151.3 +/- 14.6 ) assign (resid 80 and name C) (resid 81 and name N) (resid 81 and name CA) (resid 81 and name C) 1.0 -145.4 65.7 2 assign (resid 81 and name N) (resid 81 and name CA) (resid 81 and name C) (resid 82 and name N) 1.0 151.3 43.9 2 !L82 (TALOS: Phi -145.6 +/- 19.2 , TALOS: Psi 140.3 +/- 11.4 ) assign (resid 81 and name C) (resid 82 and name N) (resid 82 and name CA) (resid 82 and name C) 1.0 -145.6 57.6 2 assign (resid 82 and name N) (resid 82 and name CA) (resid 82 and name C) (resid 83 and name N) 1.0 140.3 34.3 2 !V83 (TALOS: Phi -137.9 +/- 14.9 , TALOS: Psi 135.7 +/- 11.4 ) assign (resid 82 and name C) (resid 83 and name N) (resid 83 and name CA) (resid 83 and name C) 1.0 -137.9 44.6 2 assign (resid 83 and name N) (resid 83 and name CA) (resid 83 and name C) (resid 84 and name N) 1.0 135.7 34.3 2 !L84 (TALOS: Phi -130.4 +/- 19.6 , TALOS: Psi 134.8 +/- 13.7 ) assign (resid 83 and name C) (resid 84 and name N) (resid 84 and name CA) (resid 84 and name C) 1.0 -130.4 58.7 2 assign (resid 84 and name N) (resid 84 and name CA) (resid 84 and name C) (resid 85 and name N) 1.0 134.8 41.1 2 !E85 (TALOS: Phi -116.3 +/- 16.9 , TALOS: Psi 132.2 +/- 11.9 ) assign (resid 84 and name C) (resid 85 and name N) (resid 85 and name CA) (resid 85 and name C) 1.0 -116.3 50.6 2 assign (resid 85 and name N) (resid 85 and name CA) (resid 85 and name C) (resid 86 and name N) 1.0 132.2 35.8 2 !Y86 (TALOS: Phi -134.3 +/- 9.9 , TALOS: Psi 124.5 +/- 8.9 ) assign (resid 85 and name C) (resid 86 and name N) (resid 86 and name CA) (resid 86 and name C) 1.0 -134.3 29.7 2 assign (resid 86 and name N) (resid 86 and name CA) (resid 86 and name C) (resid 87 and name N) 1.0 124.5 26.8 2 !Y87 - this one is manual and forces 87 to be in left hand helical space assign (resid 87 and name N) (resid 87 and name CA) (resid 87 and name C) (resid 88 and name CA) 1.0 40.0 20 2 !K89 (TALOS: Phi -128.0 +/- 26.0 , TALOS: Psi 148.0 +/- 13.0 ) assign (resid 88 and name C) (resid 89 and name N) (resid 89 and name CA) (resid 89 and name C) 1.0 -128.0 78.0 2 assign (resid 89 and name N) (resid 89 and name CA) (resid 89 and name C) (resid 90 and name N) 1.0 148.0 39.0 2 !T90 (TALOS: Phi -120.4 +/- 18.6 , TALOS: Psi 127.5 +/- 12.8 ) assign (resid 89 and name C) (resid 90 and name N) (resid 90 and name CA) (resid 90 and name C) 1.0 -120.4 55.9 2 assign (resid 90 and name N) (resid 90 and name CA) (resid 90 and name C) (resid 91 and name N) 1.0 127.5 38.4 2 !Y91 (TALOS: Phi -123.5 +/- 17.9 , TALOS: Psi 136.4 +/- 13.8 ) assign (resid 90 and name C) (resid 91 and name N) (resid 91 and name CA) (resid 91 and name C) 1.0 -123.5 53.6 2 assign (resid 91 and name N) (resid 91 and name CA) (resid 91 and name C) (resid 92 and name N) 1.0 136.4 41.4 2 !T92 (TALOS: Phi -116.9 +/- 22.3 , TALOS: Psi 139.3 +/- 11.1 ) assign (resid 91 and name C) (resid 92 and name N) (resid 92 and name CA) (resid 92 and name C) 1.0 -116.9 66.9 2 assign (resid 92 and name N) (resid 92 and name CA) (resid 92 and name C) (resid 93 and name N) 1.0 139.3 33.2 2 !Y93 (TALOS: Phi -138.3 +/- 22.0 , TALOS: Psi 149.6 +/- 16.5 ) assign (resid 92 and name C) (resid 93 and name N) (resid 93 and name CA) (resid 93 and name C) 1.0 -138.3 66.1 2 assign (resid 93 and name N) (resid 93 and name CA) (resid 93 and name C) (resid 94 and name N) 1.0 149.6 49.6 2 !E94 (TALOS: Phi -134.4 +/- 10.4 , TALOS: Psi 132.6 +/- 18.9 ) assign (resid 93 and name C) (resid 94 and name N) (resid 94 and name CA) (resid 94 and name C) 1.0 -134.4 31.2 2 assign (resid 94 and name N) (resid 94 and name CA) (resid 94 and name C) (resid 95 and name N) 1.0 132.6 56.6 2 !I95 (TALOS: Phi -70.0 +/- 16.9 , TALOS: Psi 131.8 +/- 8.7 ) assign (resid 94 and name C) (resid 95 and name N) (resid 95 and name CA) (resid 95 and name C) 1.0 -70.0 50.6 2 assign (resid 95 and name N) (resid 95 and name CA) (resid 95 and name C) (resid 96 and name N) 1.0 131.8 26.2 2 !K97 (TALOS: Phi -147.0 +/- 9.0 , TALOS: Psi 141.0 +/- 6.0 ) assign (resid 96 and name C) (resid 97 and name N) (resid 97 and name CA) (resid 97 and name C) 1.0 -147.0 27.0 2 assign (resid 97 and name N) (resid 97 and name CA) (resid 97 and name C) (resid 98 and name N) 1.0 141.0 20.0 2 !I98 (TALOS: Phi -119.1 +/- 18.3 , TALOS: Psi 139.7 +/- 13.0 ) assign (resid 97 and name C) (resid 98 and name N) (resid 98 and name CA) (resid 98 and name C) 1.0 -119.1 55.0 2 assign (resid 98 and name N) (resid 98 and name CA) (resid 98 and name C) (resid 99 and name N) 1.0 139.7 38.9 2 !W99 (TALOS: Phi -136.1 +/- 17.1 , TALOS: Psi 151.7 +/- 19.9 ) assign (resid 98 and name C) (resid 99 and name N) (resid 99 and name CA) (resid 99 and name C) 1.0 -136.1 51.2 2 assign (resid 99 and name N) (resid 99 and name CA) (resid 99 and name C) (resid 100 and name N) 1.0 151.7 59.7 2 !I100 (TALOS: Phi -107.0 +/- 32.0 , TALOS: Psi 131.0 +/- 14.0 ) assign (resid 99 and name C) (resid 100 and name N) (resid 100 and name CA) (resid 100 and name C) 1.0 -107.0 96.0 2 assign (resid 100 and name N) (resid 100 and name CA) (resid 100 and name C) (resid 101 and name N) 1.0 131.0 42.0 2 !T101 (TALOS: Phi -125.9 +/- 23.8 , TALOS: Psi 151.3 +/- 15.4 ) assign (resid 100 and name C) (resid 101 and name N) (resid 101 and name CA) (resid 101 and name C) 1.0 -125.9 71.4 2 assign (resid 101 and name N) (resid 101 and name CA) (resid 101 and name C) (resid 102 and name N) 1.0 151.3 46.2 2 !H102 (TALOS: Phi -84.9 +/- 19.9 , TALOS: Psi 150.1 +/- 18.8 ) assign (resid 101 and name C) (resid 102 and name N) (resid 102 and name CA) (resid 102 and name C) 1.0 -84.9 59.7 2 assign (resid 102 and name N) (resid 102 and name CA) (resid 102 and name C) (resid 103 and name N) 1.0 150.1 56.5 2 !A103 (TALOS: Phi -63.5 +/- 8.2 , TALOS: Psi -25.6 +/- 11.2 ) assign (resid 102 and name C) (resid 103 and name N) (resid 103 and name CA) (resid 103 and name C) 1.0 -63.5 24.6 2 assign (resid 103 and name N) (resid 103 and name CA) (resid 103 and name C) (resid 104 and name N) 1.0 -25.6 33.7 2 !D104 (TALOS: Phi -80.2 +/- 18.8 , TALOS: Psi -30.4 +/- 22.9 ) assign (resid 103 and name C) (resid 104 and name N) (resid 104 and name CA) (resid 104 and name C) 1.0 -80.2 56.4 2 assign (resid 104 and name N) (resid 104 and name CA) (resid 104 and name C) (resid 105 and name N) 1.0 -30.4 68.6 2 !D105 (TALOS: Phi -73.0 +/- 12.1 , TALOS: Psi 122.3 +/- 28.5 ) assign (resid 104 and name C) (resid 105 and name N) (resid 105 and name CA) (resid 105 and name C) 1.0 -73.0 36.4 2 assign (resid 105 and name N) (resid 105 and name CA) (resid 105 and name C) (resid 106 and name N) 1.0 122.3 85.5 2 !R106 (TALOS: Phi -74.0 +/- 14.0 , TALOS: Psi -36.0 +/- 18.0 ) assign (resid 105 and name C) (resid 106 and name N) (resid 106 and name CA) (resid 106 and name C) 1.0 -74.0 42.0 2 assign (resid 106 and name N) (resid 106 and name CA) (resid 106 and name C) (resid 107 and name N) 1.0 -36.0 54.0 2 !V108 (TALOS: Phi -69.5 +/- 12.8 , TALOS: Psi -41.2 +/- 13.1 ) assign (resid 107 and name C) (resid 108 and name N) (resid 108 and name CA) (resid 108 and name C) 1.0 -69.5 60.0 2 ! widened to avoid violaton assign (resid 108 and name N) (resid 108 and name CA) (resid 108 and name C) (resid 109 and name N) 1.0 -41.2 39.2 2 !110 (this is artificial - trying to put phi of 110 into good space assign (resid 109 and name C) (resid 110 and name N) (resid 110 and name CA) (resid 110 and name C) 1.0 -120.0 40.0 2 !K111 (TALOS: Phi -97.0 +/- 30.0 , TALOS: Psi 137.0 +/- 13.0 ) assign (resid 110 and name C) (resid 111 and name N) (resid 111 and name CA) (resid 111 and name C) 1.0 -97.0 90.0 2 assign (resid 111 and name N) (resid 111 and name CA) (resid 111 and name C) (resid 112 and name N) 1.0 137.0 39.0 2 !K112 (TALOS: Phi -137.5 +/- 19.9 , TALOS: Psi 152.1 +/- 13.8 ) assign (resid 111 and name C) (resid 112 and name N) (resid 112 and name CA) (resid 112 and name C) 1.0 -137.5 59.7 2 assign (resid 112 and name N) (resid 112 and name CA) (resid 112 and name C) (resid 113 and name N) 1.0 152.1 41.3 2 !E114 (TALOS: Phi -134.1 +/- 15.6 , TALOS: Psi 125.5 +/- 27.2 ) assign (resid 113 and name C) (resid 114 and name N) (resid 114 and name CA) (resid 114 and name C) 1.0 -134.1 46.8 2 assign (resid 114 and name N) (resid 114 and name CA) (resid 114 and name C) (resid 115 and name N) 1.0 125.5 81.7 2 !I116 (TALOS: Phi -122.1 +/- 9.7 , TALOS: Psi 138.5 +/- 17.0 ) assign (resid 115 and name C) (resid 116 and name N) (resid 116 and name CA) (resid 116 and name C) 1.0 -122.1 29.1 2 assign (resid 116 and name N) (resid 116 and name CA) (resid 116 and name C) (resid 117 and name N) 1.0 138.5 51.1 2 !L117 (TALOS: Phi -119.9 +/- 17.7 , TALOS: Psi 127.0 +/- 6.5 ) assign (resid 116 and name C) (resid 117 and name N) (resid 117 and name CA) (resid 117 and name C) 1.0 -119.9 53.2 2 assign (resid 117 and name N) (resid 117 and name CA) (resid 117 and name C) (resid 118 and name N) 1.0 127.0 20.0 2 !T118 (TALOS: Phi -114.8 +/- 10.6 , TALOS: Psi 126.1 +/- 9.4 ) assign (resid 117 and name C) (resid 118 and name N) (resid 118 and name CA) (resid 118 and name C) 1.0 -114.8 31.9 2 assign (resid 118 and name N) (resid 118 and name CA) (resid 118 and name C) (resid 119 and name N) 1.0 126.1 28.3 2 !L119 (TALOS: Phi -121.9 +/- 14.6 , TALOS: Psi 133.2 +/- 8.3 ) assign (resid 118 and name C) (resid 119 and name N) (resid 119 and name CA) (resid 119 and name C) 1.0 -121.9 43.8 2 assign (resid 119 and name N) (resid 119 and name CA) (resid 119 and name C) (resid 120 and name N) 1.0 133.2 24.8 2 !T120 (TALOS: Phi -121.6 +/- 17.6 , TALOS: Psi 143.3 +/- 11.3 ) assign (resid 119 and name C) (resid 120 and name N) (resid 120 and name CA) (resid 120 and name C) 1.0 -121.6 52.8 2 assign (resid 120 and name N) (resid 120 and name CA) (resid 120 and name C) (resid 121 and name N) 1.0 143.3 34.0 2 !T121 (TALOS: Phi -134.9 +/- 15.9 , TALOS: Psi 140.5 +/- 18.6 ) assign (resid 120 and name C) (resid 121 and name N) (resid 121 and name CA) (resid 121 and name C) 1.0 -134.9 47.7 2 assign (resid 121 and name N) (resid 121 and name CA) (resid 121 and name C) (resid 122 and name N) 1.0 140.5 55.7 2 !make C122 beta sheet !assign (resid 121 and name C) (resid 122 and name N) ! (resid 122 and name CA) (resid 122 and name C) 1.0 -110.0 70.0 2 ! make C122 beta sheet !assign (resid 122 and name N) (resid 122 and name CA) ! (resid 122 and name C) (resid 123 and name N) 1.0 120.0 60.0 2 ! make C122 beta sheet !F125 (TALOS: Phi -69.0 +/- 18.0 , TALOS: Psi -32.0 +/- 17.0 ) assign (resid 124 and name C) (resid 125 and name N) (resid 125 and name CA) (resid 125 and name C) 1.0 -69.0 54.0 2 assign (resid 125 and name N) (resid 125 and name CA) (resid 125 and name C) (resid 126 and name N) 1.0 -32.0 51.0 2 !D126 (TALOS: Phi -89.0 +/- 18.0 , TALOS: Psi -14.0 +/- 21.0 ) assign (resid 125 and name C) (resid 126 and name N) (resid 126 and name CA) (resid 126 and name C) 1.0 -89.0 54.0 2 assign (resid 126 and name N) (resid 126 and name CA) (resid 126 and name C) (resid 127 and name N) 1.0 -14.0 63.0 2 !Y127 (TALOS: Phi -80.0 +/- 14.0 , TALOS: Psi 134.0 +/- 12.0 ) assign (resid 126 and name C) (resid 127 and name N) (resid 127 and name CA) (resid 127 and name C) 1.0 -80.0 42.0 2 !assign (resid 127 and name N) (resid 127 and name CA) ! (resid 127 and name C) (resid 128 and name N) 1.0 134.0 36.0 2 !I128 (TALOS: Phi -107.0 +/- 25.0 , TALOS: Psi 128.0 +/- 16.0 ) !assign (resid 127 and name C) (resid 128 and name N) ! (resid 128 and name CA) (resid 128 and name C) 1.0 -107.0 75.0 2 assign (resid 128 and name N) (resid 128 and name CA) (resid 128 and name C) (resid 129 and name N) 1.0 128.0 48.0 2 !D130 (TALOS: Phi -81.3 +/- 21.7 , TALOS: Psi 132.5 +/- 11.6 ) assign (resid 129 and name C) (resid 130 and name N) (resid 130 and name CA) (resid 130 and name C) 1.0 -81.3 65.0 2 assign (resid 130 and name N) (resid 130 and name CA) (resid 130 and name C) (resid 131 and name N) 1.0 132.5 34.8 2 !D133 (TALOS: Phi -136.0 +/- 27.0 , TALOS: Psi 148.0 +/- 11.0 ) assign (resid 132 and name C) (resid 133 and name N) (resid 133 and name CA) (resid 133 and name C) 1.0 -136.0 81.0 2 assign (resid 133 and name N) (resid 133 and name CA) (resid 133 and name C) (resid 134 and name N) 1.0 148.0 33.0 2 !R134 (TALOS: Phi -141.0 +/- 14.0 , TALOS: Psi 137.0 +/- 11.0 ) assign (resid 133 and name C) (resid 134 and name N) (resid 134 and name CA) (resid 134 and name C) 1.0 -141.0 42.0 2 assign (resid 134 and name N) (resid 134 and name CA) (resid 134 and name C) (resid 135 and name N) 1.0 137.0 33.0 2 !Y135 (TALOS: Phi -110.5 +/- 26.4 , TALOS: Psi 123.3 +/- 11.8 ) assign (resid 134 and name C) (resid 135 and name N) (resid 135 and name CA) (resid 135 and name C) 1.0 -110.5 79.3 2 assign (resid 135 and name N) (resid 135 and name CA) (resid 135 and name C) (resid 136 and name N) 1.0 123.3 35.4 2 !I136 (TALOS: Phi -92.9 +/- 19.6 , TALOS: Psi 126.3 +/- 7.5 ) assign (resid 135 and name C) (resid 136 and name N) (resid 136 and name CA) (resid 136 and name C) 1.0 -92.9 58.9 2 assign (resid 136 and name N) (resid 136 and name CA) (resid 136 and name C) (resid 137 and name N) 1.0 126.3 22.6 2 !I137 (TALOS: Phi -128.2 +/- 23.1 , TALOS: Psi 139.1 +/- 10.5 ) assign (resid 136 and name C) (resid 137 and name N) (resid 137 and name CA) (resid 137 and name C) 1.0 -128.2 69.2 2 assign (resid 137 and name N) (resid 137 and name CA) (resid 137 and name C) (resid 138 and name N) 1.0 139.1 31.6 2 !E138 (TALOS: Phi -127.5 +/- 18.5 , TALOS: Psi 134.9 +/- 15.1 ) assign (resid 137 and name C) (resid 138 and name N) (resid 138 and name CA) (resid 138 and name C) 1.0 -127.5 55.4 2 assign (resid 138 and name N) (resid 138 and name CA) (resid 138 and name C) (resid 139 and name N) 1.0 134.9 45.2 2 !A139 (TALOS: Phi -136.5 +/- 16.2 , TALOS: Psi 146.0 +/- 17.7 ) assign (resid 138 and name C) (resid 139 and name N) (resid 139 and name CA) (resid 139 and name C) 1.0 -136.5 48.7 2 assign (resid 139 and name N) (resid 139 and name CA) (resid 139 and name C) (resid 140 and name N) 1.0 146.0 53.2 2 !K140 (TALOS: Phi -128.4 +/- 19.4 , TALOS: Psi 138.0 +/- 12.1 ) assign (resid 139 and name C) (resid 140 and name N) (resid 140 and name CA) (resid 140 and name C) 1.0 -128.4 58.2 2 assign (resid 140 and name N) (resid 140 and name CA) (resid 140 and name C) (resid 141 and name N) 1.0 138.0 36.4 2 !L141 (TALOS: Phi -74.0 +/- 11.0 , TALOS: Psi 136.0 +/- 5.0 ) assign (resid 140 and name C) (resid 141 and name N) (resid 141 and name CA) (resid 141 and name C) 1.0 -74.0 33.0 2 assign (resid 141 and name N) (resid 141 and name CA) (resid 141 and name C) (resid 142 and name N) 1.0 136.0 20.0 2 !S144 (TALOS: Phi -131.0 +/- 17.0 , TALOS: Psi 144.0 +/- 16.0 ) assign (resid 143 and name C) (resid 144 and name N) (resid 144 and name CA) (resid 144 and name C) 1.0 -131.0 51.0 2 assign (resid 144 and name N) (resid 144 and name CA) (resid 144 and name C) (resid 145 and name N) 1.0 144.0 48.0 2 !Y145 (TALOS: Phi -131.8 +/- 22.6 , TALOS: Psi 125.4 +/- 17.1 ) assign (resid 144 and name C) (resid 145 and name N) (resid 145 and name CA) (resid 145 and name C) 1.0 -131.8 67.8 2 assign (resid 145 and name N) (resid 145 and name CA) (resid 145 and name C) (resid 146 and name N) 1.0 125.4 51.2 2
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