#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzk h TYR 3 N 0.00 0.04 0.09 -1.55 3.20 -2.07 -3.00 116.97 113.69 1bzk h TYR 3 Ca 0.00 -0.01 -0.31 0.00 3.14 0.00 0.00 58.73 61.55 1bzk h TYR 3 Cb 0.00 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1bzk h TYR 3 CO 0.00 0.53 -1.65 -1.00 -1.64 0.00 0.00 178.16 174.40 1bzk h PRO 4 N -0.46 0.19 0.00 1.82 0.13 -2.01 -3.33 132.00 128.35 1bzk h PRO 4 Ca 0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1bzk h PRO 4 Cb 0.52 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1bzk h PRO 4 CO 0.00 0.99 0.00 0.66 -0.23 0.00 0.00 178.00 179.43 1bzk n TYR 5 N -3.37 0.48 0.06 1.56 4.01 -1.25 -1.26 117.16 117.39 1bzk n TYR 5 Ca -0.19 0.19 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1bzk n TYR 5 Cb 1.04 -0.81 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1bzk n TYR 5 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1bzk h TYR 6 N 0.00 -0.19 -0.19 -0.72 0.05 -1.63 -2.95 116.97 111.34 1bzk h TYR 6 Ca 0.00 -0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.59 1bzk h TYR 6 Cb 0.29 0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1bzk h TYR 6 CO 0.00 -0.12 -0.64 -0.07 -1.05 0.00 0.00 178.16 176.28 1bzk h LEU 7 N -0.59 0.80 -1.33 3.88 3.38 -1.74 -2.97 115.31 116.74 1bzk h LEU 7 Ca -0.02 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1bzk h LEU 7 Cb 0.16 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1bzk h LEU 7 CO 0.04 1.24 0.01 -0.24 0.09 0.00 0.00 178.44 179.57 1bzk n SER 8 N -3.95 1.61 -0.02 -0.43 2.88 -0.39 -3.69 113.62 109.63 1bzk n SER 8 Ca -0.05 -2.07 -0.00 0.00 -1.33 0.00 0.00 58.87 55.42 1bzk n SER 8 Cb 0.67 -0.51 -0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1bzk n SER 8 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1bzk h ASP 9 N 0.21 0.00 0.20 -3.46 3.58 -1.35 -3.32 116.42 112.29 1bzk h ASP 9 Ca 0.01 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.11 1bzk h ASP 9 Cb 0.69 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 1bzk h ASP 9 CO 0.04 0.22 -1.94 0.00 -2.88 0.00 0.00 179.24 174.68 1bzk n ILE 10 N -3.14 1.75 0.71 2.25 3.06 -1.26 -4.00 119.36 118.74 1bzk n ILE 10 Ca -0.01 -0.69 -0.01 0.00 -2.50 0.00 0.00 62.75 59.55 1bzk n ILE 10 Cb 0.02 -1.60 0.05 0.00 0.54 0.00 0.00 39.64 38.65 1bzk n ILE 10 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1bzk n THR 11 N -3.40 0.73 -0.03 9.51 -2.24 -1.24 -4.10 114.28 113.51 1bzk n THR 11 Ca -0.29 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1bzk n THR 11 Cb 1.05 -0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 1bzk n THR 11 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1bzk h ASP 12 N 0.42 0.13 0.00 3.42 2.03 -1.69 -3.08 116.42 117.64 1bzk h ASP 12 Ca 0.03 -0.49 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1bzk h ASP 12 Cb 0.91 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 1bzk h ASP 12 CO 0.10 0.59 -1.26 0.00 -1.03 0.00 0.00 179.24 177.65 1bzk n ALA 13 N -2.37 3.14 -0.05 4.15 0.00 -1.26 -4.43 120.51 119.69 1bzk n ALA 13 Ca -0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 53.44 52.97 1bzk n ALA 13 Cb 0.29 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 19.21 1bzk n ALA 13 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bzk h PHE 14 N 0.00 0.00 -3.15 0.00 -1.00 -1.71 -3.43 116.94 107.64 1bzk h PHE 14 Ca 0.00 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.16 1bzk h PHE 14 Cb 0.54 0.00 -0.41 0.00 3.61 0.00 0.00 35.95 39.69 1bzk h PHE 14 CO 0.00 0.00 -0.67 0.45 -1.61 0.00 0.00 178.31 176.48 1bzk s SER 15 N -5.50 4.09 -0.08 2.17 0.15 -1.16 -4.93 113.70 108.43 1bzk s SER 15 Ca -0.04 -3.09 -0.05 0.00 0.70 0.00 0.00 55.95 53.47 1bzk s SER 15 Cb 0.01 -1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 62.89 1bzk s SER 15 CO 0.06 -0.21 -0.10 1.55 1.20 0.00 0.00 173.24 175.74 1bzk h PRO 16 N 6.29 0.00 0.52 5.44 0.13 -1.77 -3.19 132.00 139.42 1bzk h PRO 16 Ca 0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1bzk h PRO 16 Cb 0.87 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1bzk h PRO 16 CO 0.62 0.00 -0.48 1.96 -0.23 0.00 0.00 178.00 179.87 1bzk h GLN 17 N -0.59 -0.96 -0.42 0.86 7.50 -1.92 0.26 115.11 119.84 1bzk h GLN 17 Ca 0.00 0.07 0.12 0.00 0.50 0.00 0.00 58.65 59.34 1bzk h GLN 17 Cb 0.29 0.22 -0.02 0.00 0.05 0.00 0.00 27.48 28.02 1bzk h GLN 17 CO 0.00 -0.64 0.51 0.28 -1.50 0.00 0.00 178.83 177.49 1bzk h VAL 18 N -0.99 0.29 0.27 -0.54 2.07 -1.96 0.12 116.25 115.50 1bzk h VAL 18 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1bzk h VAL 18 Cb 0.85 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1bzk h VAL 18 CO -0.04 0.00 -0.13 0.25 0.02 0.00 0.00 177.57 177.67 1bzk h LEU 19 N 0.00 -0.30 -0.16 2.57 7.12 -0.48 -1.35 115.31 122.70 1bzk h LEU 19 Ca 0.20 -0.11 0.04 0.00 0.13 0.00 0.00 57.88 58.14 1bzk h LEU 19 Cb 1.23 0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 41.40 1bzk h LEU 19 CO -0.00 -0.08 -0.08 0.00 -0.13 0.00 0.00 178.44 178.16 1bzk h ALA 20 N 0.16 0.07 -0.35 1.25 0.00 -0.19 -1.41 119.26 118.78 1bzk h ALA 20 Ca -0.04 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1bzk h ALA 20 Cb 0.39 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1bzk h ALA 20 CO 0.06 -0.51 -0.37 0.00 0.00 0.00 0.00 179.25 178.42 1bzk h ALA 21 N 1.09 -0.33 -0.93 0.00 0.00 -1.30 0.17 119.26 117.95 1bzk h ALA 21 Ca 0.09 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1bzk h ALA 21 Cb 0.19 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1bzk h ALA 21 CO -0.20 -0.80 0.60 0.28 0.00 0.00 0.00 179.25 179.13 1bzk h VAL 22 N -0.32 0.96 0.00 0.00 2.07 -0.80 0.13 116.25 118.30 1bzk h VAL 22 Ca 0.14 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1bzk h VAL 22 Cb 0.57 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1bzk h VAL 22 CO -0.52 0.17 -0.31 0.40 0.02 0.00 0.00 177.57 177.33 1bzk h ILE 23 N 0.94 0.91 -0.82 4.57 2.04 0.30 -2.12 117.51 123.32 1bzk h ILE 23 Ca 0.44 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1bzk h ILE 23 Cb 0.42 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1bzk h ILE 23 CO -0.20 0.31 0.50 0.15 0.00 0.00 0.00 178.15 178.90 1bzk h PHE 24 N 0.00 1.07 -0.20 1.37 3.57 0.17 0.17 116.94 123.10 1bzk h PHE 24 Ca -0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1bzk h PHE 24 Cb 0.70 -0.35 0.01 0.00 2.79 0.00 0.00 35.95 39.09 1bzk h PHE 24 CO 0.00 0.71 -0.60 0.82 -2.23 0.00 0.00 178.31 177.01 1bzk h ILE 25 N 1.12 1.30 0.00 1.41 2.04 -1.32 -0.91 117.51 121.14 1bzk h ILE 25 Ca 0.29 -1.81 -0.00 0.00 1.00 0.00 0.00 64.86 64.34 1bzk h ILE 25 Cb -0.05 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1bzk h ILE 25 CO -0.06 0.57 -0.02 0.22 0.00 0.00 0.00 178.15 178.87 1bzk h TYR 26 N 0.49 0.00 0.00 1.37 5.03 -0.77 0.10 116.97 123.19 1bzk h TYR 26 Ca -0.02 0.00 -0.23 0.00 2.58 0.00 0.00 58.73 61.06 1bzk h TYR 26 Cb 1.22 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.47 1bzk h TYR 26 CO 0.09 0.02 -1.26 0.35 -1.32 0.00 0.00 178.16 176.04 1bzk h PHE 27 N 0.00 0.00 0.39 -3.82 3.04 -0.22 -0.74 116.94 115.58 1bzk h PHE 27 Ca -0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1bzk h PHE 27 Cb 0.09 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.61 1bzk h PHE 27 CO 0.00 0.93 -0.19 0.00 -2.02 0.00 0.00 178.31 177.03 1bzk h ALA 28 N 1.07 -0.61 0.00 2.41 0.00 0.58 -3.30 119.26 119.42 1bzk h ALA 28 Ca -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bzk h ALA 28 Cb 1.82 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1bzk h ALA 28 CO 0.10 -0.57 -0.45 0.00 0.00 0.00 0.00 179.25 178.33 1bzk n ALA 29 N -2.60 0.40 0.67 0.00 0.00 -0.82 -4.41 120.51 113.75 1bzk n ALA 29 Ca -0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 53.44 52.96 1bzk n ALA 29 Cb 0.21 0.01 0.04 0.00 0.00 0.00 0.00 19.45 19.71 1bzk n ALA 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bzk n LEU 30 N -4.12 2.88 0.07 0.00 4.77 -1.18 -4.30 117.00 115.12 1bzk n LEU 30 Ca -0.06 -1.46 -0.12 0.00 -0.03 0.00 0.00 56.01 54.33 1bzk n LEU 30 Cb 0.23 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 1bzk n LEU 30 CO 0.09 0.48 0.80 -1.28 -1.33 0.00 0.00 177.39 176.16 1bzk h SER 31 N 0.34 -0.26 0.27 -1.43 0.87 -1.21 -2.95 113.55 109.17 1bzk h SER 31 Ca 0.06 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1bzk h SER 31 Cb 1.08 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1bzk h SER 31 CO 0.14 -0.14 -0.71 -0.81 -0.53 0.00 0.00 176.83 174.77 1bzk n PRO 32 N -5.22 0.03 -0.21 2.24 -0.04 -1.26 -4.41 135.00 126.13 1bzk n PRO 32 Ca -0.06 -0.02 0.30 0.00 -0.04 0.00 0.00 63.50 63.67 1bzk n PRO 32 Cb 0.14 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.65 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 3.02 2.91 -1.66 0.55 0.00 -1.73 -2.77 119.26 119.58 1bzk h ALA 33 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bzk h ALA 33 Cb 0.50 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bzk h ALA 33 CO 0.00 -1.61 0.00 -0.89 0.00 0.00 0.00 179.25 176.75 1bzk n ILE 34 N -3.43 0.00 0.07 0.00 -0.00 -1.26 -2.60 119.36 112.14 1bzk n ILE 34 Ca 0.23 1.12 -0.02 0.00 -0.00 0.00 0.00 62.75 64.07 1bzk n ILE 34 Cb 1.40 -1.58 -0.06 0.00 -0.00 0.00 0.00 39.64 39.40 1bzk n ILE 34 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bzk h THR 35 N 0.00 1.00 -3.55 1.39 1.03 -1.90 -3.45 112.91 107.44 1bzk h THR 35 Ca 0.00 -2.56 -0.52 0.00 -0.01 0.00 0.00 66.41 63.32 1bzk h THR 35 Cb 0.00 2.44 -0.02 0.00 -1.07 0.00 0.00 68.15 69.50 1bzk h THR 35 CO 0.00 0.57 0.37 0.12 -0.01 0.00 0.00 175.52 176.58 1bzk s PHE 36 N -2.83 3.78 -0.30 0.00 5.36 -1.07 -5.01 117.98 117.90 1bzk s PHE 36 Ca 0.00 1.77 0.01 0.00 -0.96 0.00 0.00 56.93 57.76 1bzk s PHE 36 Cb 0.09 -3.08 0.15 0.00 -0.34 0.00 0.00 43.02 39.83 1bzk s PHE 36 CO 0.79 0.10 0.37 0.20 -1.46 0.00 0.00 175.22 175.22 1bzk s GLY 37 N 0.08 -0.37 0.00 13.12 0.00 -1.26 -4.46 107.32 114.43 1bzk s GLY 37 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.09 1bzk s GLY 37 CO 0.30 2.88 0.00 0.61 0.00 0.00 0.00 173.10 176.89 1bzk n GLY 38 N 5.20 -0.69 3.75 0.20 0.00 -1.26 -5.14 105.19 107.26 1bzk n GLY 38 Ca 0.01 0.48 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 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 4.53 -0.12 0.99 0.05 -1.26 -4.97 118.68 117.90 1bzk s LEU 39 Ca 0.00 1.64 -0.13 0.00 0.05 0.00 0.00 54.13 55.69 1bzk s LEU 39 Cb 0.00 -3.36 -0.05 0.00 -2.05 0.00 0.00 46.19 40.73 1bzk s LEU 39 CO 0.00 0.08 -0.26 -0.11 -0.55 0.00 0.00 176.35 175.51 1bzk n LEU 40 N 2.23 1.69 -3.57 1.48 -0.00 -1.26 -5.08 117.00 112.49 1bzk n LEU 40 Ca -0.03 0.28 -0.17 0.00 -0.00 0.00 0.00 56.01 56.09 1bzk n LEU 40 Cb 0.49 -0.63 -0.07 0.00 -0.00 0.00 0.00 43.42 43.21 1bzk n LEU 40 CO 0.48 -0.27 0.39 -0.83 -0.00 0.00 0.00 177.39 177.16 1bzk s GLY 41 N -4.79 -0.52 0.16 -3.96 0.00 -1.26 -5.04 107.32 91.90 1bzk s GLY 41 Ca -0.23 1.32 -0.10 0.00 0.00 0.00 0.00 44.72 45.72 1bzk s GLY 41 CO 0.33 1.00 1.51 0.83 0.00 0.00 0.00 173.10 176.76 1bzk h GLU 42 N 3.46 0.93 0.00 2.90 5.08 -2.05 -3.56 114.58 121.34 1bzk h GLU 42 Ca -0.28 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 1bzk h GLU 42 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1bzk h GLU 42 CO 0.34 1.12 0.00 0.36 -1.00 0.00 0.00 179.01 179.82