#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnx n TYR 3 N 0.00 -0.24 0.00 -1.55 4.02 -1.26 -4.93 117.16 113.20 1bnx n TYR 3 Ca 0.00 -3.62 0.00 0.00 -0.01 0.00 0.00 57.90 54.27 1bnx n TYR 3 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 39.34 38.98 1bnx n TYR 3 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1bnx n PRO 4 N 1.04 0.00 0.16 -0.72 -0.04 -1.26 -4.10 135.00 130.08 1bnx n PRO 4 Ca 0.22 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.79 1bnx n PRO 4 Cb 0.57 -0.41 0.19 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.00 0.54 5.03 -2.02 -3.07 116.97 117.44 1bnx h TYR 5 Ca 0.00 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1bnx h TYR 5 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 1bnx h TYR 5 CO 0.00 0.48 -0.09 -0.92 -1.32 0.00 0.00 178.16 176.30 1bnx h TYR 6 N 0.00 0.00 0.00 -3.82 3.20 -1.92 -2.33 116.97 112.10 1bnx h TYR 6 Ca -0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 1bnx h TYR 6 Cb 1.13 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 1bnx h TYR 6 CO 0.00 0.09 -0.54 1.25 -1.64 0.00 0.00 178.16 177.33 1bnx h LEU 7 N 0.00 0.00 -0.64 2.82 5.85 -1.68 -3.30 115.31 118.35 1bnx h LEU 7 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1bnx h LEU 7 Cb 0.37 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1bnx h LEU 7 CO 0.01 0.49 0.35 0.28 -0.34 0.00 0.00 178.44 179.23 1bnx h SER 8 N 0.00 0.80 0.39 1.25 0.02 -1.52 -1.82 113.55 112.65 1bnx h SER 8 Ca -0.01 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1bnx h SER 8 Cb 1.38 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1bnx h SER 8 CO 0.06 0.66 -0.16 -0.78 -1.14 0.00 0.00 176.83 175.47 1bnx h ASP 9 N 0.87 0.00 0.05 3.07 1.82 -1.65 -2.92 116.42 117.65 1bnx h ASP 9 Ca 0.23 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1bnx h ASP 9 Cb 0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.05 1bnx h ASP 9 CO -0.04 0.16 -0.02 0.40 -1.61 0.00 0.00 179.24 178.13 1bnx h ILE 10 N 0.00 1.14 -0.94 2.25 1.08 -1.44 -2.21 117.51 117.38 1bnx h ILE 10 Ca -0.00 -0.60 0.08 0.00 -0.39 0.00 0.00 64.86 63.96 1bnx h ILE 10 Cb 0.40 1.53 -0.07 0.00 -3.07 0.00 0.00 36.82 35.61 1bnx h ILE 10 CO 0.02 0.15 0.61 0.74 -0.69 0.00 0.00 178.15 178.98 1bnx h THR 11 N -0.32 1.02 -0.51 -0.27 2.02 -1.40 0.37 112.91 113.82 1bnx h THR 11 Ca -0.01 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1bnx h THR 11 Cb 0.29 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1bnx h THR 11 CO 0.01 0.19 0.20 0.44 0.37 0.00 0.00 175.52 176.73 1bnx h ASP 12 N 1.03 0.67 -0.52 4.18 5.19 -1.40 0.28 116.42 125.84 1bnx h ASP 12 Ca 0.42 -0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.73 1bnx h ASP 12 Cb 0.29 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 1bnx h ASP 12 CO -0.18 0.60 0.24 0.58 -3.12 0.00 0.00 179.24 177.36 1bnx h VAL 13 N 0.73 1.20 -0.00 -1.35 2.07 -0.31 -1.73 116.25 116.85 1bnx h VAL 13 Ca 0.18 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1bnx h VAL 13 Cb 0.15 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1bnx h VAL 13 CO -0.02 0.23 -0.08 -0.38 0.02 0.00 0.00 177.57 177.34 1bnx n ILE 14 N -4.57 0.00 0.07 4.57 -0.00 -0.81 -2.79 119.36 115.82 1bnx n ILE 14 Ca 0.02 -0.07 -0.20 0.00 -0.00 0.00 0.00 62.75 62.50 1bnx n ILE 14 Cb 0.13 -0.09 -0.15 0.00 -0.00 0.00 0.00 39.64 39.54 1bnx n ILE 14 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.55 176.70 1bnx h PHE 15 N 0.69 0.59 0.13 1.39 3.04 0.44 -2.92 116.94 120.30 1bnx h PHE 15 Ca 0.00 -0.43 -0.33 0.00 3.98 0.00 0.00 57.97 61.19 1bnx h PHE 15 Cb 0.32 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1bnx h PHE 15 CO 0.00 1.53 -1.74 0.82 -2.02 0.00 0.00 178.31 176.91 1bnx h ILE 16 N 0.09 0.92 0.24 1.41 2.04 -1.55 -2.53 117.51 118.13 1bnx h ILE 16 Ca -0.30 -2.58 -0.01 0.00 1.00 0.00 0.00 64.86 62.97 1bnx h ILE 16 Cb 2.06 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 40.81 1bnx h ILE 16 CO 0.17 0.82 -0.12 1.88 0.00 0.00 0.00 178.15 180.90 1bnx h TYR 17 N 0.07 -0.30 0.00 1.37 -1.99 -1.69 -3.03 116.97 111.41 1bnx h TYR 17 Ca -0.32 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.31 1bnx h TYR 17 Cb 2.05 0.10 -0.01 0.00 2.00 0.00 0.00 36.73 40.86 1bnx h TYR 17 CO 0.07 0.01 -0.41 0.35 -0.00 0.00 0.00 178.16 178.19 1bnx h PHE 18 N -0.63 0.00 -0.13 4.88 3.57 -1.68 -2.98 116.94 119.97 1bnx h PHE 18 Ca -0.03 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1bnx h PHE 18 Cb 0.45 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1bnx h PHE 18 CO 0.02 0.41 -0.16 0.00 -2.23 0.00 0.00 178.31 176.35 1bnx h ALA 19 N 1.59 -0.09 0.15 2.41 0.00 -1.33 -0.80 119.26 121.19 1bnx h ALA 19 Ca -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1bnx h ALA 19 Cb 0.75 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1bnx h ALA 19 CO 0.05 -0.61 -0.07 0.00 0.00 0.00 0.00 179.25 178.62 1bnx h ALA 20 N 0.84 -0.20 0.00 0.00 0.00 -1.51 -3.38 119.26 115.01 1bnx h ALA 20 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1bnx h ALA 20 Cb 0.34 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1bnx h ALA 20 CO -0.25 -0.22 -0.00 -0.07 0.00 0.00 0.00 179.25 178.71 1bnx h LEU 21 N -0.98 -0.00 -0.94 0.00 3.38 -1.59 -3.21 115.31 111.97 1bnx h LEU 21 Ca -0.02 -0.29 0.16 0.00 0.09 0.00 0.00 57.88 57.83 1bnx h LEU 21 Cb 0.41 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.00 1bnx h LEU 21 CO 0.03 0.28 -0.31 -0.24 0.09 0.00 0.00 178.44 178.30 1bnx n SER 22 N -4.95 -0.49 0.22 -0.43 2.88 -0.31 -1.77 113.62 108.77 1bnx n SER 22 Ca -0.08 1.63 -0.13 0.00 -1.33 0.00 0.00 58.87 58.96 1bnx n SER 22 Cb 0.16 -0.43 -0.07 0.00 -0.75 0.00 0.00 64.21 63.12 1bnx n SER 22 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1bnx h PRO 23 N 0.00 -0.56 -0.99 -1.46 0.13 -1.74 -3.09 132.00 124.29 1bnx h PRO 23 Ca 0.38 0.04 0.29 0.00 -0.87 0.00 0.00 66.00 65.84 1bnx h PRO 23 Cb 0.62 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 31.83 1bnx h PRO 23 CO -0.95 -0.25 0.85 0.00 -0.23 0.00 0.00 178.00 177.42 1bnx h ALA 24 N -0.56 2.85 0.33 -0.56 0.00 -1.32 0.43 119.26 120.43 1bnx h ALA 24 Ca -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1bnx h ALA 24 Cb 0.57 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1bnx h ALA 24 CO 0.10 -1.36 -0.16 0.82 0.00 0.00 0.00 179.25 178.65 1bnx h ILE 25 N 0.00 0.00 0.00 0.00 1.08 -1.26 -3.38 117.51 113.95 1bnx h ILE 25 Ca 0.47 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.83 1bnx h ILE 25 Cb 2.16 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1bnx h ILE 25 CO -0.00 0.00 -0.03 0.74 -0.69 0.00 0.00 178.15 178.17 1bnx h THR 26 N -0.55 0.00 -2.99 -0.27 2.02 -1.44 -3.45 112.91 106.24 1bnx h THR 26 Ca -0.05 -0.56 -0.55 0.00 0.77 0.00 0.00 66.41 66.03 1bnx h THR 26 Cb 0.34 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1bnx h THR 26 CO 0.07 0.00 0.77 0.12 0.37 0.00 0.00 175.52 176.86 1bnx s PHE 27 N -1.35 3.01 0.00 3.16 5.36 0.14 -4.78 117.98 123.52 1bnx s PHE 27 Ca -0.01 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 1bnx s PHE 27 Cb 0.00 -3.54 0.00 0.00 -0.34 0.00 0.00 43.02 39.14 1bnx s PHE 27 CO 0.01 -1.89 0.00 0.41 -1.46 0.00 0.00 175.22 172.29 1bnx n GLY 28 N 3.51 -2.29 0.00 13.12 0.00 -1.26 -3.14 105.19 115.12 1bnx n GLY 28 Ca 0.12 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.05 0.71 3.99 -0.02 0.00 -1.26 -4.87 105.19 103.70 1bnx n GLY 29 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1bnx n GLY 29 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bnx s LEU 30 N 0.00 2.90 0.39 0.99 2.34 -1.26 -4.98 118.68 119.06 1bnx s LEU 30 Ca 0.00 -0.41 0.16 0.00 0.06 0.00 0.00 54.13 53.94 1bnx s LEU 30 Cb 0.00 -1.76 0.81 0.00 -0.56 0.00 0.00 46.19 44.68 1bnx s LEU 30 CO 0.00 -2.14 1.84 0.25 -1.06 0.00 0.00 176.35 175.24 1bnx h LEU 31 N -0.78 0.00 -8.87 1.48 5.85 -2.01 -3.42 115.31 107.55 1bnx h LEU 31 Ca -0.36 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 57.75 1bnx h LEU 31 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1bnx h LEU 31 CO 0.36 0.34 1.45 0.61 -0.34 0.00 0.00 178.44 180.87 1bnx n GLY 32 N -0.32 0.90 0.15 3.75 0.00 -1.26 -4.84 105.19 103.56 1bnx n GLY 32 Ca -0.01 0.83 -0.06 0.00 0.00 0.00 0.00 46.02 46.78 1bnx n GLY 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1bnx h GLU 33 N 13.96 0.06 -0.03 1.61 -0.00 -2.03 -3.49 114.58 124.66 1bnx h GLU 33 Ca -0.37 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.98 1bnx h GLU 33 Cb 1.27 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 1bnx h GLU 33 CO 0.98 0.04 0.00 1.17 -0.00 0.00 0.00 179.01 181.20