#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzi n LEU 11 N 0.00 0.09 -3.21 -5.58 4.77 -1.26 -4.49 117.00 107.33 3kzi n LEU 11 Ca 0.00 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 3kzi n LEU 11 Cb 0.00 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 3kzi n LEU 11 CO 0.00 -0.11 0.41 -2.65 -1.33 0.00 0.00 177.39 173.71 3kzi n PRO 12 N 1.09 0.00 -0.05 3.23 -0.02 -1.26 -4.31 135.00 133.68 3kzi n PRO 12 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3kzi n PRO 12 Cb -0.00 -1.07 0.01 0.00 -0.02 0.00 0.00 33.50 32.42 3kzi n PRO 12 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3kzi n GLU 13 N 1.08 -0.02 0.37 -0.52 4.07 -1.26 -0.97 120.64 123.38 3kzi n GLU 13 Ca 0.14 0.19 -0.19 0.00 -0.06 0.00 0.00 57.16 57.25 3kzi n GLU 13 Cb 0.06 -0.29 -0.10 0.00 -0.06 0.00 0.00 31.44 31.05 3kzi n GLU 13 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kzi h ALA 14 N 0.21 -1.16 0.00 4.31 0.00 -1.98 -2.92 119.26 117.71 3kzi h ALA 14 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kzi h ALA 14 Cb 0.08 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kzi h ALA 14 CO -0.13 -1.18 0.00 0.66 0.00 0.00 0.00 179.25 178.61 3kzi n TYR 15 N -5.59 0.10 -0.48 0.00 4.01 -0.15 -3.64 117.16 111.41 3kzi n TYR 15 Ca -0.13 0.05 0.40 0.00 -0.16 0.00 0.00 57.90 58.05 3kzi n TYR 15 Cb 0.47 -0.58 0.68 0.00 -0.31 0.00 0.00 39.34 39.60 3kzi n TYR 15 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kzi h ALA 16 N 2.06 2.90 0.00 -0.72 0.00 -1.47 1.71 119.26 123.73 3kzi h ALA 16 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kzi h ALA 16 Cb 0.03 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kzi h ALA 16 CO 0.00 -1.54 0.00 0.82 0.00 0.00 0.00 179.25 178.53 3kzi h ILE 17 N 0.04 0.00 -0.03 0.00 5.03 -1.82 -0.33 117.51 120.40 3kzi h ILE 17 Ca 0.85 -0.03 0.00 0.00 -0.12 0.00 0.00 64.86 65.56 3kzi h ILE 17 Cb 2.80 0.79 0.00 0.00 -3.03 0.00 0.00 36.82 37.38 3kzi h ILE 17 CO -0.39 0.00 -0.00 0.49 -0.68 0.00 0.00 178.15 177.56 3kzi n PHE 18 N -2.67 0.00 -0.37 1.37 0.99 0.58 -4.56 117.46 112.79 3kzi n PHE 18 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.32 3kzi n PHE 18 Cb 0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 38.46 3kzi n PHE 18 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 3kzi h ASP 19 N 4.09 -2.06 -0.93 4.37 3.58 -1.05 0.30 116.42 124.73 3kzi h ASP 19 Ca 0.00 0.31 0.16 0.00 0.42 0.00 0.00 57.03 57.92 3kzi h ASP 19 Cb 0.87 0.90 -0.10 0.00 1.72 0.00 0.00 39.33 42.73 3kzi h ASP 19 CO 0.00 -0.24 0.52 1.55 -2.88 0.00 0.00 179.24 178.19 3kzi h PRO 20 N -0.05 0.69 0.52 0.28 0.13 -1.80 -1.50 132.00 130.27 3kzi h PRO 20 Ca 0.14 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 3kzi h PRO 20 Cb 0.42 -0.16 0.01 0.00 0.13 0.00 0.00 31.00 31.40 3kzi h PRO 20 CO -0.87 0.46 -0.25 1.25 -0.23 0.00 0.00 178.00 178.36 3kzi h LEU 21 N 0.71 -0.59 -2.51 1.56 5.85 -0.78 -2.36 115.31 117.21 3kzi h LEU 21 Ca 0.51 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.25 3kzi h LEU 21 Cb 0.74 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3kzi h LEU 21 CO -0.36 -0.39 0.13 0.58 -0.34 0.00 0.00 178.44 178.05 3kzi h VAL 22 N -0.73 0.21 0.00 1.05 2.07 -0.44 -1.48 116.25 116.93 3kzi h VAL 22 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3kzi h VAL 22 Cb 0.55 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3kzi h VAL 22 CO 0.12 0.00 -0.08 0.44 0.02 0.00 0.00 177.57 178.07 3kzi h ASP 23 N 0.00 0.00 0.00 0.57 3.32 -0.73 -3.18 116.42 116.40 3kzi h ASP 23 Ca 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3kzi h ASP 23 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3kzi h ASP 23 CO -0.00 0.08 -1.72 0.52 -1.72 0.00 0.00 179.24 176.40 3kzi n VAL 24 N -3.71 0.21 -0.36 -1.35 0.31 -0.57 -4.73 118.33 108.13 3kzi n VAL 24 Ca -0.02 -0.38 -0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3kzi n VAL 24 Cb 0.18 -0.02 0.05 0.00 -0.91 0.00 0.00 33.84 33.15 3kzi n VAL 24 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3kzi h LEU 25 N 0.00 -1.31 -0.90 7.52 3.38 -1.51 -2.40 115.31 120.08 3kzi h LEU 25 Ca -0.08 0.30 0.23 0.00 0.09 0.00 0.00 57.88 58.42 3kzi h LEU 25 Cb 0.93 0.71 -0.16 0.00 0.09 0.00 0.00 40.66 42.23 3kzi h LEU 25 CO 0.00 -0.30 0.03 -0.65 0.09 0.00 0.00 178.44 177.62 3kzi h PRO 26 N -0.01 0.06 0.00 1.13 0.11 -1.85 -0.94 132.00 130.50 3kzi h PRO 26 Ca 0.36 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 3kzi h PRO 26 Cb 0.61 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 3kzi h PRO 26 CO -0.96 0.04 -0.04 -0.24 -0.21 0.00 0.00 178.00 176.58 3kzi h VAL 27 N 0.06 0.17 -0.75 3.15 3.04 -1.78 -3.34 116.25 116.80 3kzi h VAL 27 Ca 0.53 -0.43 0.11 0.00 -1.01 0.00 0.00 66.70 65.90 3kzi h VAL 27 Cb 1.02 1.36 -0.13 0.00 -2.01 0.00 0.00 31.29 31.53 3kzi h VAL 27 CO -0.81 0.04 -0.41 0.40 -1.01 0.00 0.00 177.57 175.78 3kzi h ILE 28 N 0.00 0.07 -0.99 3.17 2.04 -1.28 -1.72 117.51 118.81 3kzi h ILE 28 Ca -0.00 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.16 3kzi h ILE 28 Cb 0.35 0.07 -0.18 0.00 -0.74 0.00 0.00 36.82 36.32 3kzi h ILE 28 CO 0.01 0.00 0.15 -0.65 0.00 0.00 0.00 178.15 177.66 3kzi h PRO 29 N -0.12 0.01 -0.68 2.37 0.11 -1.79 0.93 132.00 132.83 3kzi h PRO 29 Ca 0.24 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.46 3kzi h PRO 29 Cb 0.56 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.59 3kzi h PRO 29 CO -0.80 0.01 0.29 0.28 -0.21 0.00 0.00 178.00 177.56 3kzi h VAL 30 N 0.01 0.76 -0.78 3.15 2.07 -1.59 -1.92 116.25 117.95 3kzi h VAL 30 Ca 0.66 -0.16 0.18 0.00 0.82 0.00 0.00 66.70 68.19 3kzi h VAL 30 Cb 1.46 0.24 -0.12 0.00 -1.52 0.00 0.00 31.29 31.36 3kzi h VAL 30 CO -0.88 0.09 0.22 -0.07 0.02 0.00 0.00 177.57 176.94 3kzi h LEU 31 N 0.48 0.06 0.05 2.57 3.38 0.88 -1.82 115.31 120.90 3kzi h LEU 31 Ca 0.35 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.49 3kzi h LEU 31 Cb 0.44 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3kzi h LEU 31 CO -0.32 -0.05 -0.19 -0.26 0.09 0.00 0.00 178.44 177.72 3kzi h PHE 32 N 0.28 -0.49 -0.95 1.13 0.04 -1.29 0.74 116.94 116.40 3kzi h PHE 32 Ca 0.45 0.01 0.21 0.00 2.80 0.00 0.00 57.97 61.45 3kzi h PHE 32 Cb 0.81 0.21 -0.08 0.00 2.20 0.00 0.00 35.95 39.09 3kzi h PHE 32 CO -0.25 -0.27 0.62 1.25 -0.60 0.00 0.00 178.31 179.06 3kzi h LEU 33 N -0.33 0.48 0.56 1.54 7.12 -1.38 -1.75 115.31 121.54 3kzi h LEU 33 Ca 0.04 0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.08 3kzi h LEU 33 Cb 0.38 -0.03 0.01 0.00 -0.53 0.00 0.00 40.66 40.48 3kzi h LEU 33 CO -0.14 0.17 -0.27 0.00 -0.13 0.00 0.00 178.44 178.08 3kzi h ALA 34 N 1.61 -0.75 -0.94 1.25 0.00 -0.17 -3.29 119.26 116.97 3kzi h ALA 34 Ca 0.51 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.47 3kzi h ALA 34 Cb 1.18 0.29 -0.17 0.00 0.00 0.00 0.00 17.79 19.08 3kzi h ALA 34 CO -0.23 -0.72 -0.05 1.25 0.00 0.00 0.00 179.25 179.50 3kzi h LEU 35 N -1.16 -0.57 -1.59 0.00 5.85 0.12 0.61 115.31 118.57 3kzi h LEU 35 Ca -0.08 0.27 0.28 0.00 0.84 0.00 0.00 57.88 59.19 3kzi h LEU 35 Cb 0.60 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3kzi h LEU 35 CO 0.13 -0.31 0.95 0.00 -0.34 0.00 0.00 178.44 178.86 3kzi h ALA 36 N 1.93 2.83 0.10 1.25 0.00 -1.45 0.91 119.26 124.83 3kzi h ALA 36 Ca 0.53 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 55.08 3kzi h ALA 36 Cb 0.99 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3kzi h ALA 36 CO -0.90 -1.45 -1.70 0.74 0.00 0.00 0.00 179.25 175.95 3kzi h PHE 37 N 0.00 0.39 -0.06 0.00 0.04 0.09 -2.79 116.94 114.61 3kzi h PHE 37 Ca 0.46 -0.28 0.02 0.00 2.80 0.00 0.00 57.97 60.96 3kzi h PHE 37 Cb 2.35 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 40.47 3kzi h PHE 37 CO 0.00 1.43 -0.04 0.28 -0.60 0.00 0.00 178.31 179.39 3kzi h VAL 38 N 0.06 0.89 0.11 -0.55 2.07 0.88 -1.74 116.25 117.96 3kzi h VAL 38 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kzi h VAL 38 Cb 2.02 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3kzi h VAL 38 CO 0.13 0.00 -0.28 -0.25 0.02 0.00 0.00 177.57 177.19 3kzi h TRP 39 N -0.04 -0.80 -0.98 1.57 7.01 -1.04 -0.63 115.95 121.04 3kzi h TRP 39 Ca 0.04 0.02 0.21 0.00 2.11 0.00 0.00 58.89 61.27 3kzi h TRP 39 Cb 0.09 0.34 -0.09 0.00 -2.10 0.00 0.00 29.16 27.40 3kzi h TRP 39 CO -0.14 -0.33 0.62 1.96 -2.79 0.00 0.00 178.44 177.77 3kzi h GLN 40 N -0.43 0.53 -0.31 2.65 1.08 -1.46 0.33 115.11 117.50 3kzi h GLN 40 Ca -0.01 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 3kzi h GLN 40 Cb 0.41 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3kzi h GLN 40 CO -0.13 0.35 0.08 0.00 -0.95 0.00 0.00 178.83 178.18 3kzi h ALA 41 N 1.63 0.40 -0.68 3.87 0.00 -0.88 0.42 119.26 124.02 3kzi h ALA 41 Ca 0.54 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3kzi h ALA 41 Cb 1.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3kzi h ALA 41 CO -0.28 0.06 0.41 0.00 0.00 0.00 0.00 179.25 179.44 3kzi h ALA 42 N 0.91 0.87 -0.20 0.00 0.00 0.88 -1.21 119.26 120.51 3kzi h ALA 42 Ca 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3kzi h ALA 42 Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kzi h ALA 42 CO 0.00 0.34 0.05 1.55 0.00 0.00 0.00 179.25 181.19 3kzi n VAL 43 N -4.56 1.01 -3.91 0.00 3.14 0.86 -4.90 118.33 109.97 3kzi n VAL 43 Ca 0.06 -0.44 -0.31 0.00 -2.96 0.00 0.00 64.34 60.69 3kzi n VAL 43 Cb 0.06 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.29 3kzi n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kzi n GLY 44 N 0.14 -0.57 2.13 7.55 0.00 -0.46 -3.68 105.19 110.30 3kzi n GLY 44 Ca 0.10 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 3kzi n GLY 44 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kzi n PHE 45 N -4.44 -0.85 1.59 1.61 3.72 0.14 -5.01 117.46 114.22 3kzi n PHE 45 Ca -0.21 0.36 0.14 0.00 -0.05 0.00 0.00 57.45 57.69 3kzi n PHE 45 Cb 0.64 -0.67 0.60 0.00 -0.94 0.00 0.00 39.48 39.11 3kzi n PHE 45 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25