#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnx s TYR 3 N 0.00 -0.98 0.00 -1.55 2.02 -1.26 -5.00 117.35 110.59 1bnx s TYR 3 Ca 0.00 -0.93 0.00 0.00 -0.37 0.00 0.00 57.07 55.77 1bnx s TYR 3 Cb 0.00 0.02 0.00 0.00 -0.40 0.00 0.00 41.96 41.58 1bnx s TYR 3 CO 0.00 -1.16 0.00 -0.35 -1.57 0.00 0.00 175.55 172.47 1bnx n PRO 4 N 3.03 0.00 0.14 -1.71 -0.04 -1.26 -4.20 135.00 130.96 1bnx n PRO 4 Ca 0.20 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 1bnx n PRO 4 Cb 0.54 -0.83 0.18 0.00 -0.04 0.00 0.00 33.50 33.35 1bnx n PRO 4 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1bnx h TYR 5 N 0.00 0.00 -0.92 0.54 5.03 -2.00 -3.33 116.97 116.29 1bnx h TYR 5 Ca 0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1bnx h TYR 5 Cb 0.00 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.24 1bnx h TYR 5 CO 0.00 0.00 0.54 -0.92 -1.32 0.00 0.00 178.16 176.46 1bnx h TYR 6 N 0.00 1.22 -0.00 -3.82 5.03 -1.95 -2.37 116.97 115.08 1bnx h TYR 6 Ca 0.00 -0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.15 1bnx h TYR 6 Cb 0.90 -0.40 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 1bnx h TYR 6 CO 0.00 0.81 -0.72 -0.07 -1.32 0.00 0.00 178.16 176.86 1bnx h LEU 7 N 1.27 0.02 -2.60 2.82 3.38 -1.73 -3.13 115.31 115.34 1bnx h LEU 7 Ca 0.33 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1bnx h LEU 7 Cb -0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1bnx h LEU 7 CO -0.06 0.73 0.12 -1.28 0.09 0.00 0.00 178.44 178.04 1bnx h SER 8 N 0.01 0.00 0.22 -0.43 0.87 -1.54 -2.32 113.55 110.36 1bnx h SER 8 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1bnx h SER 8 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1bnx h SER 8 CO 0.10 0.00 -0.11 0.44 -0.53 0.00 0.00 176.83 176.73 1bnx h ASP 9 N 0.00 -0.25 0.24 6.23 3.32 -1.58 -3.12 116.42 121.26 1bnx h ASP 9 Ca 0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1bnx h ASP 9 Cb 0.25 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1bnx h ASP 9 CO -0.00 0.12 -0.03 0.40 -1.72 0.00 0.00 179.24 178.01 1bnx h ILE 10 N -0.90 0.26 -0.04 0.35 2.04 -1.71 -2.85 117.51 114.67 1bnx h ILE 10 Ca -0.03 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1bnx h ILE 10 Cb 0.23 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1bnx h ILE 10 CO 0.05 0.03 -0.03 0.74 0.00 0.00 0.00 178.15 178.95 1bnx h THR 11 N 0.00 1.35 -0.68 -0.27 2.02 -1.49 -2.33 112.91 111.51 1bnx h THR 11 Ca -0.00 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 1bnx h THR 11 Cb 0.16 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1bnx h THR 11 CO 0.00 0.29 0.39 -0.78 0.37 0.00 0.00 175.52 175.80 1bnx h ASP 12 N -0.34 0.82 -0.49 4.18 1.82 -1.43 -1.81 116.42 119.16 1bnx h ASP 12 Ca 0.01 -0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.52 1bnx h ASP 12 Cb 0.49 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1bnx h ASP 12 CO 0.01 0.65 0.00 0.58 -1.61 0.00 0.00 179.24 178.87 1bnx h VAL 13 N 0.94 1.26 0.00 2.25 2.07 -1.50 -2.59 116.25 118.68 1bnx h VAL 13 Ca 0.24 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 1bnx h VAL 13 Cb -0.01 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1bnx h VAL 13 CO -0.04 0.37 -0.29 0.40 0.02 0.00 0.00 177.57 178.03 1bnx h ILE 14 N 0.73 1.05 -0.69 4.57 2.04 -0.96 -2.52 117.51 121.74 1bnx h ILE 14 Ca 0.14 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 1bnx h ILE 14 Cb 0.51 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1bnx h ILE 14 CO 0.02 0.28 0.20 0.15 0.00 0.00 0.00 178.15 178.81 1bnx h PHE 15 N 0.00 1.13 0.00 1.37 3.57 -0.94 -2.48 116.94 119.59 1bnx h PHE 15 Ca -0.00 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.28 1bnx h PHE 15 Cb 0.57 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1bnx h PHE 15 CO 0.00 0.91 -0.44 0.82 -2.23 0.00 0.00 178.31 177.37 1bnx h ILE 16 N 1.03 0.88 -0.79 1.41 2.04 -1.36 -2.79 117.51 117.93 1bnx h ILE 16 Ca 0.22 -1.85 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 1bnx h ILE 16 Cb 0.32 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1bnx h ILE 16 CO -0.00 0.43 0.32 0.22 0.00 0.00 0.00 178.15 179.11 1bnx h TYR 17 N 0.00 1.19 0.00 1.37 3.20 -1.02 -2.87 116.97 118.84 1bnx h TYR 17 Ca -0.00 -0.09 -0.20 0.00 3.14 0.00 0.00 58.73 61.58 1bnx h TYR 17 Cb 1.12 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 1bnx h TYR 17 CO 0.00 0.90 -1.13 0.35 -1.64 0.00 0.00 178.16 176.64 1bnx h PHE 18 N 1.14 0.00 -0.26 -3.82 3.57 -1.53 -3.36 116.94 112.69 1bnx h PHE 18 Ca 0.26 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.81 1bnx h PHE 18 Cb 0.21 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1bnx h PHE 18 CO 0.02 0.83 -0.01 0.00 -2.23 0.00 0.00 178.31 176.93 1bnx h ALA 19 N 1.17 0.23 -0.39 2.41 0.00 -1.27 0.27 119.26 121.67 1bnx h ALA 19 Ca -0.10 0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1bnx h ALA 19 Cb 1.72 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.56 1bnx h ALA 19 CO 0.09 -0.42 -0.17 0.00 0.00 0.00 0.00 179.25 178.75 1bnx h ALA 20 N 1.23 0.13 -0.00 0.00 0.00 -1.67 -1.41 119.26 117.54 1bnx h ALA 20 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1bnx h ALA 20 Cb 0.17 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1bnx h ALA 20 CO -0.22 -0.54 -0.18 1.28 0.00 0.00 0.00 179.25 179.60 1bnx n LEU 21 N -5.36 0.22 -0.23 0.00 4.77 -1.10 -4.25 117.00 111.06 1bnx n LEU 21 Ca 0.02 0.27 0.03 0.00 -0.03 0.00 0.00 56.01 56.30 1bnx n LEU 21 Cb 0.27 -0.37 0.12 0.00 -2.33 0.00 0.00 43.42 41.11 1bnx n LEU 21 CO 0.12 0.05 0.82 -1.28 -1.33 0.00 0.00 177.39 175.77 1bnx h SER 22 N 0.07 -0.35 0.25 -1.43 0.87 0.22 -1.74 113.55 111.45 1bnx h SER 22 Ca 0.00 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1bnx h SER 22 Cb 0.48 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1bnx h SER 22 CO 0.00 -0.15 -0.12 1.55 -0.53 0.00 0.00 176.83 177.57 1bnx h PRO 23 N 0.10 -0.33 -0.90 2.24 0.13 -1.74 -3.30 132.00 128.20 1bnx h PRO 23 Ca 0.36 0.02 0.26 0.00 -0.87 0.00 0.00 66.00 65.77 1bnx h PRO 23 Cb 0.60 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.77 1bnx h PRO 23 CO -0.60 -0.22 0.86 0.00 -0.23 0.00 0.00 178.00 177.81 1bnx h ALA 24 N -1.10 2.75 0.25 -0.56 0.00 -1.74 -0.15 119.26 118.72 1bnx h ALA 24 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1bnx h ALA 24 Cb 0.26 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1bnx h ALA 24 CO 0.06 -1.33 -0.12 0.82 0.00 0.00 0.00 179.25 178.68 1bnx h ILE 25 N 0.00 0.81 0.10 0.00 2.04 -1.39 -3.36 117.51 115.71 1bnx h ILE 25 Ca 0.43 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1bnx h ILE 25 Cb 2.15 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1bnx h ILE 25 CO -0.00 0.10 -0.05 0.74 0.00 0.00 0.00 178.15 178.93 1bnx h THR 26 N -0.56 0.00 -4.31 -0.27 2.02 -1.17 -3.46 112.91 105.16 1bnx h THR 26 Ca -0.03 -0.16 -0.48 0.00 0.77 0.00 0.00 66.41 66.50 1bnx h THR 26 Cb 0.41 0.00 0.08 0.00 -1.74 0.00 0.00 68.15 66.90 1bnx h THR 26 CO 0.06 0.00 0.36 0.12 0.37 0.00 0.00 175.52 176.43 1bnx s PHE 27 N -2.17 3.24 0.00 3.16 5.36 -0.90 -4.89 117.98 121.77 1bnx s PHE 27 Ca -0.02 0.90 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 1bnx s PHE 27 Cb 0.00 -3.08 0.00 0.00 -0.34 0.00 0.00 43.02 39.60 1bnx s PHE 27 CO 0.06 -1.21 0.00 0.41 -1.46 0.00 0.00 175.22 173.02 1bnx n GLY 28 N -2.97 -0.59 1.53 13.12 0.00 -1.26 -4.35 105.19 110.67 1bnx n GLY 28 Ca 0.07 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.31 1bnx n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnx n GLY 29 N 1.62 2.65 3.45 -0.02 0.00 -1.26 -4.83 105.19 106.80 1bnx n GLY 29 Ca 0.00 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1bnx n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bnx s LEU 30 N -2.01 4.66 0.06 0.99 2.01 -1.26 -4.89 118.68 118.24 1bnx s LEU 30 Ca 0.39 -0.93 -0.17 0.00 0.01 0.00 0.00 54.13 53.44 1bnx s LEU 30 Cb 0.30 -2.48 -0.17 0.00 0.01 0.00 0.00 46.19 43.85 1bnx s LEU 30 CO 0.11 -1.21 1.26 0.25 1.01 0.00 0.00 176.35 177.77 1bnx h LEU 31 N 10.63 0.70 -9.41 1.79 6.46 -1.97 -3.43 115.31 120.08 1bnx h LEU 31 Ca -0.28 -0.63 -0.63 0.00 -0.12 0.00 0.00 57.88 56.22 1bnx h LEU 31 Cb 1.08 -0.21 -0.10 0.00 -0.73 0.00 0.00 40.66 40.70 1bnx h LEU 31 CO 1.10 1.21 -0.49 -0.83 -0.62 0.00 0.00 178.44 178.81 1bnx s GLY 32 N -3.94 2.08 0.15 3.75 0.00 -1.26 -4.99 107.32 103.11 1bnx s GLY 32 Ca -0.12 -0.67 -0.13 0.00 0.00 0.00 0.00 44.72 43.80 1bnx s GLY 32 CO 0.84 -0.07 1.60 -2.09 0.00 0.00 0.00 173.10 173.38 1bnx h GLU 33 N 6.01 0.84 -0.02 2.90 4.22 -2.03 -3.53 114.58 122.96 1bnx h GLU 33 Ca -0.46 -0.26 0.00 0.00 0.08 0.00 0.00 59.36 58.71 1bnx h GLU 33 Cb 1.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1bnx h GLU 33 CO 0.69 0.88 0.00 1.63 -2.18 0.00 0.00 179.01 180.03