#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 -1.56 0.00 -1.55 2.02 -1.26 -5.02 117.35 109.98 1bzk s TYR 3 Ca 0.00 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 1bzk s TYR 3 Cb 0.00 0.30 0.00 0.00 -0.40 0.00 0.00 41.96 41.86 1bzk s TYR 3 CO 0.00 -1.12 0.00 -0.35 -1.57 0.00 0.00 175.55 172.51 1bzk n PRO 4 N 3.82 0.00 0.17 -1.71 -0.04 -1.26 -4.26 135.00 131.73 1bzk n PRO 4 Ca 0.13 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.66 1bzk n PRO 4 Cb 0.57 -0.37 0.31 0.00 -0.04 0.00 0.00 33.50 33.98 1bzk n PRO 4 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1bzk h TYR 5 N 0.00 0.00 -0.95 0.54 0.05 -1.97 -3.02 116.97 111.62 1bzk h TYR 5 Ca 0.00 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.01 1bzk h TYR 5 Cb 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.62 1bzk h TYR 5 CO 0.00 0.44 0.50 -0.92 -1.05 0.00 0.00 178.16 177.13 1bzk h TYR 6 N 0.00 0.85 -0.48 4.88 5.03 -1.96 0.29 116.97 125.58 1bzk h TYR 6 Ca -0.00 0.04 -0.12 0.00 2.58 0.00 0.00 58.73 61.23 1bzk h TYR 6 Cb 0.83 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.87 1bzk h TYR 6 CO 0.00 0.01 -0.17 -0.07 -1.32 0.00 0.00 178.16 176.61 1bzk h LEU 7 N 0.50 0.95 -1.35 2.82 -0.00 -1.70 -2.46 115.31 114.06 1bzk h LEU 7 Ca 0.61 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1bzk h LEU 7 Cb 1.15 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 1bzk h LEU 7 CO -0.50 1.10 0.00 -1.54 -0.00 0.00 0.00 178.44 177.50 1bzk n SER 8 N -4.13 1.76 -0.07 -0.43 3.41 0.93 -3.72 113.62 111.37 1bzk n SER 8 Ca 0.01 -2.16 -0.05 0.00 -0.26 0.00 0.00 58.87 56.41 1bzk n SER 8 Cb 0.43 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 1bzk n SER 8 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bzk h ASP 9 N 0.83 0.00 1.12 4.04 3.32 -0.79 -3.32 116.42 121.61 1bzk h ASP 9 Ca 0.00 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.79 1bzk h ASP 9 Cb 0.69 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1bzk h ASP 9 CO 0.08 0.76 -0.79 -0.29 -1.72 0.00 0.00 179.24 177.28 1bzk h ILE 10 N -1.00 1.40 -0.20 0.35 2.10 -1.73 -3.17 117.51 115.25 1bzk h ILE 10 Ca -0.03 -2.87 -0.06 0.00 1.08 0.00 0.00 64.86 62.98 1bzk h ILE 10 Cb 0.45 2.63 -0.03 0.00 -1.09 0.00 0.00 36.82 38.77 1bzk h ILE 10 CO -0.02 0.77 0.07 0.35 -1.08 0.00 0.00 178.15 178.25 1bzk n THR 11 N -3.35 1.09 0.83 2.19 -2.24 -1.24 -3.96 114.28 107.59 1bzk n THR 11 Ca 0.01 -0.43 0.07 0.00 -2.27 0.00 0.00 64.05 61.43 1bzk n THR 11 Cb 0.83 -0.62 0.21 0.00 -2.10 0.00 0.00 70.33 68.66 1bzk n THR 11 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1bzk n ASP 12 N 0.12 2.05 -0.01 3.42 -0.08 -1.20 -3.77 116.55 117.09 1bzk n ASP 12 Ca 0.11 -1.94 0.08 0.00 -1.51 0.00 0.00 54.79 51.53 1bzk n ASP 12 Cb 0.63 -0.23 -0.12 0.00 2.34 0.00 0.00 41.12 43.74 1bzk n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bzk n ALA 13 N 0.61 2.95 1.70 -1.67 0.00 -1.25 -4.28 120.51 118.56 1bzk n ALA 13 Ca 0.14 -0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1bzk n ALA 13 Cb 0.34 -0.56 0.67 0.00 0.00 0.00 0.00 19.45 19.89 1bzk n ALA 13 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bzk n PHE 14 N -1.90 0.00 -3.40 0.00 -1.74 -1.25 -4.38 117.46 104.79 1bzk n PHE 14 Ca -0.02 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.68 1bzk n PHE 14 Cb 0.38 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.29 1bzk n PHE 14 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1bzk s SER 15 N -1.85 1.68 -0.01 5.98 0.15 -1.26 -5.02 113.70 113.37 1bzk s SER 15 Ca 0.34 -1.32 -0.01 0.00 0.70 0.00 0.00 55.95 55.66 1bzk s SER 15 Cb 0.15 0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1bzk s SER 15 CO 0.26 -0.32 -0.02 -0.81 1.20 0.00 0.00 173.24 173.55 1bzk n PRO 16 N 4.68 0.03 0.04 5.44 -0.04 -1.26 -3.40 135.00 140.50 1bzk n PRO 16 Ca 0.05 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1bzk n PRO 16 Cb 0.45 -0.74 -0.06 0.00 -0.04 0.00 0.00 33.50 33.11 1bzk n PRO 16 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1bzk h GLN 17 N -0.07 -0.11 -0.02 0.54 4.20 -1.97 0.12 115.11 117.81 1bzk h GLN 17 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1bzk h GLN 17 Cb 0.04 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1bzk h GLN 17 CO 0.00 -0.07 0.04 0.28 -0.67 0.00 0.00 178.83 178.41 1bzk h VAL 18 N -0.11 0.23 0.76 -0.54 2.07 -1.97 -2.36 116.25 114.34 1bzk h VAL 18 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1bzk h VAL 18 Cb 0.15 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1bzk h VAL 18 CO -0.08 0.00 -0.37 0.25 0.02 0.00 0.00 177.57 177.40 1bzk h LEU 19 N 0.00 -0.87 -0.29 2.57 5.85 -0.77 -0.57 115.31 121.22 1bzk h LEU 19 Ca 0.01 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1bzk h LEU 19 Cb 0.08 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1bzk h LEU 19 CO -0.00 -0.62 -0.14 0.00 -0.34 0.00 0.00 178.44 177.35 1bzk h ALA 20 N -0.79 0.10 -0.31 1.25 0.00 -1.32 -1.95 119.26 116.24 1bzk h ALA 20 Ca -0.10 0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1bzk h ALA 20 Cb 0.79 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1bzk h ALA 20 CO 0.17 -0.53 -0.36 0.00 0.00 0.00 0.00 179.25 178.53 1bzk h ALA 21 N 1.14 -0.32 -0.98 0.00 0.00 -1.37 0.29 119.26 118.02 1bzk h ALA 21 Ca 0.15 0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.37 1bzk h ALA 21 Cb 0.33 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1bzk h ALA 21 CO -0.36 -0.79 0.65 0.28 0.00 0.00 0.00 179.25 179.03 1bzk h VAL 22 N -0.33 0.58 -0.22 0.00 2.07 -0.37 0.42 116.25 118.41 1bzk h VAL 22 Ca 0.14 -0.11 -0.18 0.00 0.82 0.00 0.00 66.70 67.37 1bzk h VAL 22 Cb 0.56 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1bzk h VAL 22 CO -0.49 0.06 -0.57 0.40 0.02 0.00 0.00 177.57 176.99 1bzk h ILE 23 N 0.32 1.30 -0.92 4.57 2.04 0.11 -0.38 117.51 124.54 1bzk h ILE 23 Ca 0.52 -1.79 0.07 0.00 1.00 0.00 0.00 64.86 64.65 1bzk h ILE 23 Cb 1.46 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 39.21 1bzk h ILE 23 CO -0.19 0.57 0.58 0.15 0.00 0.00 0.00 178.15 179.26 1bzk h PHE 24 N 0.53 1.07 -0.04 1.37 3.57 0.11 0.21 116.94 123.76 1bzk h PHE 24 Ca 0.01 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 1bzk h PHE 24 Cb 1.15 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1bzk h PHE 24 CO 0.06 0.54 -0.72 0.82 -2.23 0.00 0.00 178.31 176.78 1bzk h ILE 25 N 1.05 1.43 0.00 1.41 2.04 -1.22 -0.14 117.51 122.08 1bzk h ILE 25 Ca 0.40 -2.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.00 1bzk h ILE 25 Cb 0.18 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1bzk h ILE 25 CO -0.18 0.66 -0.05 0.22 0.00 0.00 0.00 178.15 178.81 1bzk h TYR 26 N 0.16 0.00 0.02 1.37 5.03 0.87 0.33 116.97 124.75 1bzk h TYR 26 Ca -0.02 0.00 -0.30 0.00 2.58 0.00 0.00 58.73 60.98 1bzk h TYR 26 Cb 1.28 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.52 1bzk h TYR 26 CO 0.03 0.05 -1.75 0.34 -1.32 0.00 0.00 178.16 175.50 1bzk n PHE 27 N -3.38 1.06 0.00 -3.82 7.35 0.49 -2.53 117.46 116.63 1bzk n PHE 27 Ca -0.02 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 57.02 1bzk n PHE 27 Cb 0.18 -1.18 0.00 0.00 0.35 0.00 0.00 39.48 38.83 1bzk n PHE 27 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bzk n ALA 28 N -2.63 0.00 -0.06 3.13 0.00 -0.12 -4.16 120.51 116.67 1bzk n ALA 28 Ca -0.19 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 1bzk n ALA 28 Cb 1.05 0.00 -0.11 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 -0.66 -3.31 119.26 113.28 1bzk h ALA 29 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1bzk h ALA 29 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bzk h ALA 29 CO 0.00 -0.04 0.00 -0.11 0.00 0.00 0.00 179.25 179.10 1bzk n LEU 30 N -4.67 1.73 -0.00 0.00 7.94 -0.76 -4.13 117.00 117.11 1bzk n LEU 30 Ca -0.08 -0.87 -0.12 0.00 -1.11 0.00 0.00 56.01 53.82 1bzk n LEU 30 Cb 0.39 -0.45 -0.08 0.00 0.53 0.00 0.00 43.42 43.80 1bzk n LEU 30 CO 0.29 0.33 0.74 0.77 -1.11 0.00 0.00 177.39 178.41 1bzk h SER 31 N 0.14 0.05 0.84 1.96 4.64 -1.58 -3.28 113.55 116.31 1bzk h SER 31 Ca 0.00 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 1bzk h SER 31 Cb 0.66 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1bzk h SER 31 CO 0.00 0.32 -1.19 -0.81 -0.87 0.00 0.00 176.83 174.29 1bzk n PRO 32 N -4.92 0.61 0.26 4.77 -0.04 -1.26 -4.17 135.00 130.26 1bzk n PRO 32 Ca -0.07 0.12 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 1bzk n PRO 32 Cb 0.17 -1.80 0.66 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.85 1.72 -0.43 0.55 0.00 -1.76 -3.08 119.26 118.11 1bzk h ALA 33 Ca -0.04 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1bzk h ALA 33 Cb 1.15 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1bzk h ALA 33 CO 0.01 0.09 -0.35 -0.84 0.00 0.00 0.00 179.25 178.16 1bzk h ILE 34 N 0.00 0.00 0.00 0.00 3.07 -1.72 -1.48 117.51 117.38 1bzk h ILE 34 Ca -0.00 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.29 1bzk h ILE 34 Cb 0.15 0.00 -0.02 0.00 -0.27 0.00 0.00 36.82 36.68 1bzk h ILE 34 CO 0.01 0.00 -0.58 0.00 -1.05 0.00 0.00 178.15 176.53 1bzk h THR 35 N -0.13 1.23 -3.03 0.16 1.03 -1.87 -3.43 112.91 106.87 1bzk h THR 35 Ca 0.07 -2.12 -0.56 0.00 -0.01 0.00 0.00 66.41 63.79 1bzk h THR 35 Cb 0.31 2.21 -0.03 0.00 -1.07 0.00 0.00 68.15 69.57 1bzk h THR 35 CO -0.47 0.57 0.78 -0.36 -0.01 0.00 0.00 175.52 176.02 1bzk s PHE 36 N -3.40 3.08 0.00 0.00 0.08 -0.56 -4.70 117.98 112.49 1bzk s PHE 36 Ca 0.00 1.17 0.00 0.00 0.12 0.00 0.00 56.93 58.22 1bzk s PHE 36 Cb 0.11 -3.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 1bzk s PHE 36 CO 0.74 -1.37 0.00 0.41 -0.10 0.00 0.00 175.22 174.91 1bzk n GLY 37 N 3.44 -2.00 0.00 4.36 0.00 -1.26 -4.82 105.19 104.91 1bzk n GLY 37 Ca 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1bzk n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzk n GLY 38 N 0.50 -1.29 3.56 -0.02 0.00 -1.26 -4.98 105.19 101.70 1bzk n GLY 38 Ca 0.00 0.50 -0.35 0.00 0.00 0.00 0.00 46.02 46.17 1bzk n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bzk s LEU 39 N 0.00 3.27 -0.05 0.99 1.43 -1.26 -4.73 118.68 118.34 1bzk s LEU 39 Ca 0.00 -0.53 0.17 0.00 -1.03 0.00 0.00 54.13 52.74 1bzk s LEU 39 Cb 0.00 -2.55 0.53 0.00 0.03 0.00 0.00 46.19 44.20 1bzk s LEU 39 CO 0.00 -2.24 1.45 0.00 0.23 0.00 0.00 176.35 175.79 1bzk n LEU 40 N 11.82 3.78 -3.06 1.79 -0.00 -1.26 -4.63 117.00 125.45 1bzk n LEU 40 Ca 0.27 -2.21 -0.18 0.00 -0.00 0.00 0.00 56.01 53.89 1bzk n LEU 40 Cb 0.50 -0.42 -0.02 0.00 -0.00 0.00 0.00 43.42 43.47 1bzk n LEU 40 CO 0.66 0.82 -0.12 0.61 -0.00 0.00 0.00 177.39 179.36 1bzk n GLY 41 N 0.90 2.21 0.37 1.47 0.00 -1.26 -4.94 105.19 103.94 1bzk n GLY 41 Ca 0.20 -1.09 0.19 0.00 0.00 0.00 0.00 46.02 45.32 1bzk n GLY 41 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1bzk h GLU 42 N 3.71 0.00 0.00 1.61 9.09 -2.00 -3.56 114.58 123.43 1bzk h GLU 42 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1bzk h GLU 42 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1bzk h GLU 42 CO 0.41 0.00 0.00 1.17 0.05 0.00 0.00 179.01 180.64