#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzk s TYR 3 N 0.00 -0.38 -0.03 -0.14 6.14 -1.26 -4.99 117.35 116.69 1bzk s TYR 3 Ca 0.00 -0.52 -0.12 0.00 0.64 0.00 0.00 57.07 57.07 1bzk s TYR 3 Cb 0.00 -0.43 -0.32 0.00 0.42 0.00 0.00 41.96 41.63 1bzk s TYR 3 CO 0.00 -0.95 0.74 -1.00 0.64 0.00 0.00 175.55 174.98 1bzk h PRO 4 N 7.61 0.43 -0.02 4.97 0.13 -2.07 -3.33 132.00 139.73 1bzk h PRO 4 Ca -0.03 -0.74 -0.07 0.00 -0.87 0.00 0.00 66.00 64.29 1bzk h PRO 4 Cb 1.06 0.27 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1bzk h PRO 4 CO 0.26 1.35 -0.33 -0.92 -0.23 0.00 0.00 178.00 178.13 1bzk h TYR 5 N 0.11 0.03 -0.99 1.56 5.03 -1.99 -2.85 116.97 117.87 1bzk h TYR 5 Ca -0.32 -0.01 0.30 0.00 2.58 0.00 0.00 58.73 61.28 1bzk h TYR 5 Cb 2.11 -0.01 -0.14 0.00 1.55 0.00 0.00 36.73 40.24 1bzk h TYR 5 CO 0.11 0.36 0.54 -0.92 -1.32 0.00 0.00 178.16 176.93 1bzk h TYR 6 N 0.03 0.90 -0.02 -3.82 5.03 -1.98 0.21 116.97 117.31 1bzk h TYR 6 Ca 0.00 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.38 1bzk h TYR 6 Cb 0.60 -0.23 -0.05 0.00 1.55 0.00 0.00 36.73 38.59 1bzk h TYR 6 CO 0.00 -0.13 -0.34 -0.07 -1.32 0.00 0.00 178.16 176.30 1bzk h LEU 7 N 0.37 -1.03 -1.53 2.82 4.07 -1.71 -1.01 115.31 117.28 1bzk h LEU 7 Ca 0.70 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.79 1bzk h LEU 7 Cb 1.53 0.42 0.00 0.00 1.08 0.00 0.00 40.66 43.69 1bzk h LEU 7 CO -0.58 -0.40 0.00 -0.24 -1.08 0.00 0.00 178.44 176.14 1bzk n SER 8 N -5.42 2.23 0.00 -0.43 2.88 -0.11 -3.71 113.62 109.06 1bzk n SER 8 Ca -0.05 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.46 1bzk n SER 8 Cb 0.34 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1bzk n SER 8 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1bzk n ASP 9 N 0.65 0.00 0.12 -3.46 8.00 0.54 -4.54 116.55 117.86 1bzk n ASP 9 Ca 0.13 0.16 0.13 0.00 0.71 0.00 0.00 54.79 55.92 1bzk n ASP 9 Cb 0.37 -0.33 0.43 0.00 -0.02 0.00 0.00 41.12 41.57 1bzk n ASP 9 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1bzk h ILE 10 N 0.00 0.00 0.00 0.53 1.08 -1.75 -3.13 117.51 114.24 1bzk h ILE 10 Ca 0.00 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 1bzk h ILE 10 Cb 0.00 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1bzk h ILE 10 CO 0.00 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.81 1bzk n THR 11 N -2.30 1.63 0.11 -0.27 -2.24 -1.24 -1.92 114.28 108.03 1bzk n THR 11 Ca 0.04 0.43 -0.21 0.00 -2.27 0.00 0.00 64.05 62.04 1bzk n THR 11 Cb 0.36 -1.35 -0.13 0.00 -2.10 0.00 0.00 70.33 67.11 1bzk n THR 11 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1bzk h ASP 12 N 0.00 0.76 1.43 3.42 1.82 -1.79 -3.25 116.42 118.82 1bzk h ASP 12 Ca 0.00 -0.74 -0.05 0.00 -0.39 0.00 0.00 57.03 55.85 1bzk h ASP 12 Cb 0.08 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 1bzk h ASP 12 CO 0.00 1.56 -0.23 0.00 -1.61 0.00 0.00 179.24 178.96 1bzk h ALA 13 N 0.35 0.90 -0.51 -0.78 0.00 -1.62 -3.10 119.26 114.49 1bzk h ALA 13 Ca -0.19 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.24 1bzk h ALA 13 Cb 1.96 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 19.56 1bzk h ALA 13 CO 0.24 0.28 0.35 1.19 0.00 0.00 0.00 179.25 181.32 1bzk n PHE 14 N -3.22 1.59 -0.20 0.00 3.01 -1.15 -4.47 117.46 113.02 1bzk n PHE 14 Ca 0.02 -1.31 -0.01 0.00 1.01 0.00 0.00 57.45 57.16 1bzk n PHE 14 Cb 0.55 -0.66 0.10 0.00 -0.01 0.00 0.00 39.48 39.45 1bzk n PHE 14 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1bzk h SER 15 N 0.65 0.25 1.18 4.37 0.02 -1.65 0.40 113.55 118.78 1bzk h SER 15 Ca 0.33 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 61.19 1bzk h SER 15 Cb 1.82 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 64.37 1bzk h SER 15 CO 0.61 0.16 -0.85 1.55 -1.14 0.00 0.00 176.83 177.15 1bzk h PRO 16 N 0.43 0.00 0.00 3.45 0.13 -1.90 -3.00 132.00 131.11 1bzk h PRO 16 Ca 0.30 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.41 1bzk h PRO 16 Cb 0.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 1bzk h PRO 16 CO -0.28 0.60 -0.10 0.37 -0.23 0.00 0.00 178.00 178.36 1bzk h GLN 17 N 0.00 0.00 0.05 0.86 -0.00 -1.63 -2.86 115.11 111.53 1bzk h GLN 17 Ca -0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.34 1bzk h GLN 17 Cb 1.55 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.01 1bzk h GLN 17 CO 0.08 0.10 -1.39 0.28 0.00 0.00 0.00 178.83 177.90 1bzk h VAL 18 N 0.00 0.91 -0.34 2.39 2.07 -0.98 -3.04 116.25 117.26 1bzk h VAL 18 Ca -0.00 -2.26 0.06 0.00 0.82 0.00 0.00 66.70 65.32 1bzk h VAL 18 Cb 0.85 2.43 -0.06 0.00 -1.52 0.00 0.00 31.29 33.00 1bzk h VAL 18 CO 0.01 0.53 -0.02 0.25 0.02 0.00 0.00 177.57 178.36 1bzk h LEU 19 N -0.63 -0.18 0.10 2.57 6.46 -1.58 -1.37 115.31 120.68 1bzk h LEU 19 Ca -0.34 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1bzk h LEU 19 Cb 1.54 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 41.59 1bzk h LEU 19 CO -0.09 -0.05 -0.21 0.00 -0.62 0.00 0.00 178.44 177.47 1bzk h ALA 20 N 1.31 -0.35 -0.94 1.25 0.00 -1.66 -2.12 119.26 116.74 1bzk h ALA 20 Ca 0.16 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.21 1bzk h ALA 20 Cb 0.23 0.34 -0.17 0.00 0.00 0.00 0.00 17.79 18.19 1bzk h ALA 20 CO -0.29 -0.74 -0.32 0.00 0.00 0.00 0.00 179.25 177.90 1bzk h ALA 21 N 0.41 0.35 -0.63 0.00 0.00 -1.18 0.45 119.26 118.65 1bzk h ALA 21 Ca 0.03 0.31 0.13 0.00 0.00 0.00 0.00 54.91 55.38 1bzk h ALA 21 Cb 0.42 0.86 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1bzk h ALA 21 CO -0.12 -0.52 -0.13 0.28 0.00 0.00 0.00 179.25 178.76 1bzk h VAL 22 N -0.02 0.39 -0.06 0.00 2.07 -0.59 0.21 116.25 118.25 1bzk h VAL 22 Ca 0.38 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.81 1bzk h VAL 22 Cb 0.64 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1bzk h VAL 22 CO -0.96 0.00 -0.35 0.40 0.02 0.00 0.00 177.57 176.69 1bzk h ILE 23 N 0.02 1.27 -1.00 4.57 2.04 -0.02 -2.73 117.51 121.66 1bzk h ILE 23 Ca 0.31 -1.29 0.18 0.00 1.00 0.00 0.00 64.86 65.07 1bzk h ILE 23 Cb 0.49 1.62 -0.10 0.00 -0.74 0.00 0.00 36.82 38.08 1bzk h ILE 23 CO -0.63 0.38 0.61 0.15 0.00 0.00 0.00 178.15 178.66 1bzk h PHE 24 N 0.10 1.02 -0.10 1.37 3.04 0.77 0.18 116.94 123.32 1bzk h PHE 24 Ca 0.01 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.89 1bzk h PHE 24 Cb 0.67 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1bzk h PHE 24 CO 0.01 0.25 -0.35 0.82 -2.02 0.00 0.00 178.31 177.01 1bzk h ILE 25 N 0.75 1.39 -0.01 1.41 1.08 -1.34 0.64 117.51 121.43 1bzk h ILE 25 Ca 0.56 -1.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1bzk h ILE 25 Cb 0.89 2.19 -0.00 0.00 -3.07 0.00 0.00 36.82 36.83 1bzk h ILE 25 CO -0.35 0.50 0.08 0.22 -0.69 0.00 0.00 178.15 177.91 1bzk h TYR 26 N -0.02 0.00 0.01 1.37 5.03 -0.98 0.15 116.97 122.54 1bzk h TYR 26 Ca -0.01 0.00 -0.30 0.00 2.58 0.00 0.00 58.73 60.99 1bzk h TYR 26 Cb 0.98 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.21 1bzk h TYR 26 CO 0.12 0.00 -1.78 1.19 -1.32 0.00 0.00 178.16 176.36 1bzk n PHE 27 N -3.12 0.95 0.00 -3.82 3.72 0.45 -2.84 117.46 112.80 1bzk n PHE 27 Ca -0.03 0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 1bzk n PHE 27 Cb 0.15 -1.17 0.00 0.00 -0.94 0.00 0.00 39.48 37.52 1bzk n PHE 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bzk n ALA 28 N -2.61 -0.06 -0.05 4.37 0.00 0.40 -3.48 120.51 119.08 1bzk n ALA 28 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1bzk n ALA 28 Cb 1.06 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.39 1bzk n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bzk h ALA 29 N -2.00 -0.01 0.00 0.00 0.00 -1.47 -3.27 119.26 112.51 1bzk h ALA 29 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1bzk h ALA 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bzk h ALA 29 CO 0.00 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1bzk n LEU 30 N -4.68 0.75 0.08 0.00 4.77 -1.21 -3.99 117.00 112.71 1bzk n LEU 30 Ca -0.09 -0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 1bzk n LEU 30 Cb 0.40 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 1bzk n LEU 30 CO 0.32 0.19 0.58 -1.28 -1.33 0.00 0.00 177.39 175.87 1bzk h SER 31 N 0.11 -0.18 0.39 -1.43 0.87 -1.56 -3.29 113.55 108.47 1bzk h SER 31 Ca 0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1bzk h SER 31 Cb 0.37 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1bzk h SER 31 CO 0.00 0.22 -0.82 -0.81 -0.53 0.00 0.00 176.83 174.89 1bzk n PRO 32 N -5.01 0.14 0.26 2.24 -0.04 -1.26 -4.13 135.00 127.20 1bzk n PRO 32 Ca -0.09 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.52 1bzk n PRO 32 Cb 0.24 -1.55 0.61 0.00 -0.04 0.00 0.00 33.50 32.76 1bzk n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bzk h ALA 33 N 2.78 1.02 -0.75 0.55 0.00 -1.69 -3.29 119.26 117.88 1bzk h ALA 33 Ca 0.00 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 54.98 1bzk h ALA 33 Cb 0.61 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.24 1bzk h ALA 33 CO 0.00 0.11 -0.19 0.44 0.00 0.00 0.00 179.25 179.60 1bzk n ILE 34 N -3.23 -0.32 -0.01 0.00 -5.35 -1.25 -0.43 119.36 108.78 1bzk n ILE 34 Ca 0.00 1.73 -0.19 0.00 -0.27 0.00 0.00 62.75 64.02 1bzk n ILE 34 Cb 0.35 -2.39 -0.14 0.00 -1.74 0.00 0.00 39.64 35.72 1bzk n ILE 34 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1bzk h THR 35 N 0.00 1.41 -0.86 7.28 1.35 -1.91 -3.36 112.91 116.82 1bzk h THR 35 Ca 0.36 -2.42 -0.73 0.00 -0.55 0.00 0.00 66.41 63.07 1bzk h THR 35 Cb 0.54 3.04 -0.10 0.00 -1.73 0.00 0.00 68.15 69.91 1bzk h THR 35 CO -0.77 0.64 2.62 0.49 -0.25 0.00 0.00 175.52 178.24 1bzk n PHE 36 N -4.24 2.86 -2.88 4.73 3.72 0.43 -4.96 117.46 117.12 1bzk n PHE 36 Ca -0.17 -2.88 -0.25 0.00 -0.05 0.00 0.00 57.45 54.10 1bzk n PHE 36 Cb 0.73 -2.11 0.01 0.00 -0.94 0.00 0.00 39.48 37.17 1bzk n PHE 36 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1bzk s GLY 37 N 1.32 1.50 0.00 1.37 0.00 -0.80 -4.74 107.32 105.97 1bzk s GLY 37 Ca 0.50 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1bzk s GLY 37 CO -0.05 -0.65 0.00 0.61 0.00 0.00 0.00 173.10 173.01 1bzk n GLY 38 N -2.15 1.76 3.88 0.20 0.00 -1.26 -5.12 105.19 102.49 1bzk n GLY 38 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1bzk n GLY 38 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bzk s LEU 39 N 0.00 4.09 -0.01 0.99 2.34 -1.26 -4.99 118.68 119.84 1bzk s LEU 39 Ca 0.00 0.97 0.22 0.00 0.06 0.00 0.00 54.13 55.38 1bzk s LEU 39 Cb 0.00 -3.76 -0.31 0.00 -0.56 0.00 0.00 46.19 41.56 1bzk s LEU 39 CO 0.00 -0.15 0.55 -0.11 -1.06 0.00 0.00 176.35 175.58 1bzk n LEU 40 N -0.44 0.13 0.00 1.48 7.94 -1.26 -5.05 117.00 119.80 1bzk n LEU 40 Ca 0.01 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1bzk n LEU 40 Cb 0.53 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1bzk n LEU 40 CO 0.45 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.35 1bzk n GLY 41 N 1.27 -0.45 1.23 -3.96 0.00 -1.26 -4.87 105.19 97.15 1bzk n GLY 41 Ca -0.03 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1bzk n GLY 41 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bzk n GLU 42 N 0.00 2.61 -0.45 1.61 0.28 -1.26 -5.26 120.64 118.17 1bzk n GLU 42 Ca 0.00 -1.46 0.00 0.00 -0.16 0.00 0.00 57.16 55.54 1bzk n GLU 42 Cb 0.00 -1.81 0.00 0.00 1.43 0.00 0.00 31.44 31.06 1bzk n GLU 42 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60