#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afp s THR 2 N 0.00 2.43 -0.15 0.00 2.01 -1.26 -4.35 115.64 114.32 1afp s THR 2 Ca 0.00 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.28 1afp s THR 2 Cb 0.00 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.45 1afp s THR 2 CO 0.00 -0.07 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.34 1afp s TYR 3 N -1.59 2.67 0.25 4.92 1.51 -0.67 -4.91 117.35 119.53 1afp s TYR 3 Ca 0.78 -1.41 -0.20 0.00 -1.01 0.00 0.00 57.07 55.23 1afp s TYR 3 Cb -0.32 -1.83 -0.09 0.00 -0.11 0.00 0.00 41.96 39.62 1afp s TYR 3 CO 0.36 -0.66 0.77 -0.80 -1.11 0.00 0.00 175.55 174.11 1afp s ASN 4 N 0.95 7.08 0.00 2.29 0.02 -1.26 0.82 114.94 124.84 1afp s ASN 4 Ca -0.04 1.48 0.00 0.00 -1.02 0.00 0.00 52.86 53.28 1afp s ASN 4 Cb -0.15 -2.44 0.00 0.00 0.02 0.00 0.00 41.25 38.68 1afp s ASN 4 CO -0.05 -0.01 0.00 0.61 0.02 0.00 0.00 177.10 177.67 1afp n GLY 5 N 0.59 2.41 3.18 0.66 0.00 0.35 -4.12 105.19 108.26 1afp n GLY 5 Ca -0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1afp n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afp s LYS 6 N 4.80 0.79 0.33 1.61 1.02 -0.13 -2.53 119.74 125.63 1afp s LYS 6 Ca 0.00 -0.96 0.07 0.00 0.02 0.00 0.00 55.97 55.11 1afp s LYS 6 Cb 0.00 0.31 -0.07 0.00 -0.52 0.00 0.00 37.83 37.56 1afp s LYS 6 CO 0.00 -0.23 -0.05 0.00 -0.92 0.00 0.00 175.35 174.15 1afp s TYR 8 N -2.84 1.52 -0.16 0.00 1.51 0.25 -1.16 117.35 116.47 1afp s TYR 8 Ca 0.32 -0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 55.76 1afp s TYR 8 Cb 0.05 -1.02 -0.23 0.00 -0.11 0.00 0.00 41.96 40.65 1afp s TYR 8 CO 0.15 -0.11 0.50 1.57 -1.11 0.00 0.00 175.55 176.55 1afp h LYS 9 N 6.12 0.05 -0.47 -0.62 2.10 -1.80 1.68 116.57 123.63 1afp h LYS 9 Ca -0.34 -0.08 0.14 0.00 -2.00 0.00 0.00 60.65 58.37 1afp h LYS 9 Cb 1.17 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 1afp h LYS 9 CO 0.48 1.04 0.38 -0.22 -2.00 0.00 0.00 179.45 179.13 1afp h LYS 10 N -0.87 0.00 0.00 0.07 3.64 -1.96 0.88 116.57 118.33 1afp h LYS 10 Ca -0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1afp h LYS 10 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1afp h LYS 10 CO -0.08 0.00 -1.00 -0.25 -2.27 0.00 0.00 179.45 175.85 1afp n ASP 11 N -4.13 1.53 -3.68 4.20 8.00 -1.25 -5.02 116.55 116.20 1afp n ASP 11 Ca 0.08 -0.37 -0.31 0.00 0.71 0.00 0.00 54.79 54.90 1afp n ASP 11 Cb 0.59 1.25 0.04 0.00 -0.02 0.00 0.00 41.12 42.98 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1afp n ASN 12 N -1.57 -5.36 -4.05 -2.24 5.15 0.55 -4.91 115.26 102.83 1afp n ASN 12 Ca -0.00 -1.00 -0.10 0.00 -0.60 0.00 0.00 54.58 52.88 1afp n ASN 12 Cb 0.22 -3.32 -0.08 0.00 -0.53 0.00 0.00 39.78 36.08 1afp n ASN 12 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1afp s ILE 13 N -3.44 0.06 -0.18 -1.44 -5.25 0.50 -2.72 121.20 108.74 1afp s ILE 13 Ca 0.46 -1.62 0.01 0.00 -0.99 0.00 0.00 60.65 58.50 1afp s ILE 13 Cb -0.17 -2.02 0.03 0.00 2.95 0.00 0.00 42.46 43.26 1afp s ILE 13 CO 0.86 -0.28 -0.15 0.00 -1.79 0.00 0.00 174.94 173.58 1afp s LYS 15 N 1.37 3.21 0.14 0.00 1.02 0.27 0.02 119.74 125.75 1afp s LYS 15 Ca 0.03 -0.31 -0.15 0.00 0.02 0.00 0.00 55.97 55.55 1afp s LYS 15 Cb -0.14 -2.95 0.03 0.00 -0.52 0.00 0.00 37.83 34.24 1afp s LYS 15 CO -0.11 0.69 0.39 1.52 -0.92 0.00 0.00 175.35 176.93 1afp s TYR 16 N -0.83 -0.10 0.18 3.18 -0.85 -0.93 -0.96 117.35 117.04 1afp s TYR 16 Ca 0.13 -0.24 -0.30 0.00 -0.52 0.00 0.00 57.07 56.14 1afp s TYR 16 Cb -0.12 0.22 -0.08 0.00 0.38 0.00 0.00 41.96 42.37 1afp s TYR 16 CO 0.03 -0.73 1.09 0.15 -1.52 0.00 0.00 175.55 174.57 1afp s LYS 17 N -3.84 4.60 -0.50 -3.49 1.02 -1.26 -1.71 119.74 114.56 1afp s LYS 17 Ca 0.05 1.70 -0.02 0.00 0.02 0.00 0.00 55.97 57.73 1afp s LYS 17 Cb 0.02 -3.28 0.31 0.00 -0.52 0.00 0.00 37.83 34.36 1afp s LYS 17 CO -0.09 0.09 2.08 0.00 -0.92 0.00 0.00 175.35 176.51 1afp n ALA 18 N 2.37 5.81 0.00 5.17 0.00 -1.26 -4.83 120.51 127.77 1afp n ALA 18 Ca 0.03 -2.66 0.00 0.00 0.00 0.00 0.00 53.44 50.81 1afp n ALA 18 Cb 0.46 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1afp n ALA 18 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1afp n GLN 19 N -0.20 0.00 0.11 0.00 0.00 -1.26 -4.04 117.38 111.99 1afp n GLN 19 Ca 0.47 0.00 0.10 0.00 -0.00 0.00 0.00 57.00 57.57 1afp n GLN 19 Cb 0.59 0.00 0.46 0.00 0.00 0.00 0.00 30.24 31.29 1afp n GLN 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1afp n SER 20 N 1.54 0.49 0.00 1.69 7.64 -1.26 -4.82 113.62 118.91 1afp n SER 20 Ca 0.00 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1afp n SER 20 Cb 0.00 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1afp n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1afp n GLY 21 N -0.56 2.60 0.70 0.23 0.00 -1.26 -4.89 105.19 102.02 1afp n GLY 21 Ca 0.01 0.00 0.51 0.00 0.00 0.00 0.00 46.02 46.54 1afp n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1afp h LYS 22 N 2.99 0.00 -5.58 1.61 1.79 -1.88 -3.42 116.57 112.08 1afp h LYS 22 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1afp h LYS 22 Cb 0.00 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 1afp h LYS 22 CO 0.00 0.00 -0.55 2.41 -1.08 0.00 0.00 179.45 180.23 1afp n THR 23 N -3.91 -5.22 -3.69 -0.16 -1.04 -1.26 -4.87 114.28 94.13 1afp n THR 23 Ca 0.43 1.02 -0.24 0.00 -2.04 0.00 0.00 64.05 63.22 1afp n THR 23 Cb 1.96 -3.86 -0.00 0.00 -1.82 0.00 0.00 70.33 66.61 1afp n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1afp s ALA 24 N -0.23 4.39 0.21 2.41 0.00 -0.69 -4.89 121.76 122.95 1afp s ALA 24 Ca -0.09 -1.55 0.08 0.00 0.00 0.00 0.00 51.96 50.40 1afp s ALA 24 Cb 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1afp s ALA 24 CO 0.25 -0.47 0.03 0.42 0.00 0.00 0.00 175.76 175.99 1afp s ILE 25 N -2.69 3.75 -0.27 0.00 1.09 -1.26 -2.18 121.20 119.63 1afp s ILE 25 Ca 0.42 -1.55 -0.02 0.00 -1.10 0.00 0.00 60.65 58.39 1afp s ILE 25 Cb -0.03 -2.94 0.11 0.00 -1.06 0.00 0.00 42.46 38.55 1afp s ILE 25 CO 0.25 -0.21 0.22 0.00 -0.10 0.00 0.00 174.94 175.10 1afp n LYS 27 N 5.29 0.00 -2.93 0.00 5.02 -1.26 -1.19 118.16 123.09 1afp n LYS 27 Ca -0.04 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.81 1afp n LYS 27 Cb 0.45 -1.00 -0.01 0.00 -0.02 0.00 0.00 35.03 34.45 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp n TYR 29 N 6.18 3.11 0.07 0.00 4.11 -1.26 -4.63 117.16 124.73 1afp n TYR 29 Ca 0.30 -2.66 0.00 0.00 -0.00 0.00 0.00 57.90 55.54 1afp n TYR 29 Cb 0.46 -0.90 0.00 0.00 -0.00 0.00 0.00 39.34 38.90 1afp n TYR 29 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1afp n VAL 30 N -0.64 0.00 -3.90 -3.48 0.24 -1.26 -4.98 118.33 104.30 1afp n VAL 30 Ca 0.52 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.47 1afp n VAL 30 Cb 0.53 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.76 1afp n VAL 30 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1afp s LYS 31 N -1.39 2.17 0.67 7.34 3.01 -1.25 -5.07 119.74 125.23 1afp s LYS 31 Ca 0.00 -1.50 -0.17 0.00 -1.01 0.00 0.00 55.97 53.29 1afp s LYS 31 Cb 0.00 -3.26 -0.05 0.00 -1.01 0.00 0.00 37.83 33.51 1afp s LYS 31 CO 0.00 -0.78 0.56 1.17 0.51 0.00 0.00 175.35 176.81 1afp n LYS 32 N 4.55 0.40 -2.76 1.68 4.81 -1.26 -4.27 118.16 121.30 1afp n LYS 32 Ca -0.08 0.17 -0.41 0.00 -0.87 0.00 0.00 58.31 57.12 1afp n LYS 32 Cb 0.42 -1.82 -0.04 0.00 0.02 0.00 0.00 35.03 33.61 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp h PRO 34 N 5.66 0.38 0.00 0.00 0.13 -1.90 -3.41 132.00 132.86 1afp h PRO 34 Ca -0.43 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1afp h PRO 34 Cb 1.21 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1afp h PRO 34 CO 0.72 1.04 0.00 2.89 -0.23 0.00 0.00 178.00 182.42 1afp n ARG 35 N -3.77 0.00 -1.49 0.86 1.85 -1.26 -4.87 116.66 107.97 1afp n ARG 35 Ca -0.05 0.00 -0.50 0.00 -1.00 0.00 0.00 57.85 56.30 1afp n ARG 35 Cb 0.78 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 32.15 1afp n ARG 35 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1afp n ASP 36 N 0.00 0.04 0.00 2.89 9.92 -1.24 -0.03 116.55 128.13 1afp n ASP 36 Ca 0.00 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 1afp n ASP 36 Cb 0.00 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1afp n GLY 37 N 1.79 2.69 3.65 0.44 0.00 -0.31 -4.96 105.19 108.49 1afp n GLY 37 Ca 0.16 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.70 1afp n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1afp n ALA 38 N -1.41 0.97 -1.74 4.61 0.00 0.96 -4.59 120.51 119.31 1afp n ALA 38 Ca 0.00 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 1afp n ALA 38 Cb 0.00 -2.54 0.05 0.00 0.00 0.00 0.00 19.45 16.96 1afp n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1afp s LYS 39 N 4.51 2.87 0.15 0.00 2.20 -1.26 0.84 119.74 129.06 1afp s LYS 39 Ca 0.95 2.04 -0.23 0.00 -0.36 0.00 0.00 55.97 58.37 1afp s LYS 39 Cb -0.68 -2.00 0.07 0.00 -1.51 0.00 0.00 37.83 33.71 1afp s LYS 39 CO 0.50 -1.34 0.64 0.00 -0.36 0.00 0.00 175.35 174.79 1afp s GLU 41 N -3.69 2.72 -0.52 0.00 1.03 -1.25 -0.50 118.70 116.49 1afp s GLU 41 Ca 0.02 -0.81 -0.25 0.00 0.03 0.00 0.00 54.97 53.96 1afp s GLU 41 Cb -0.01 -2.48 0.03 0.00 -0.80 0.00 0.00 34.13 30.87 1afp s GLU 41 CO -0.11 -0.26 0.98 0.12 -1.33 0.00 0.00 175.26 174.66 1afp s PHE 42 N 1.32 2.81 0.16 4.83 5.36 0.24 -3.11 117.98 129.59 1afp s PHE 42 Ca 0.04 0.20 -0.31 0.00 -0.96 0.00 0.00 56.93 55.90 1afp s PHE 42 Cb -0.14 -4.12 -0.09 0.00 -0.34 0.00 0.00 43.02 38.34 1afp s PHE 42 CO -0.12 -1.31 1.39 0.34 -1.46 0.00 0.00 175.22 174.07 1afp s ASP 43 N 2.66 6.80 0.04 6.13 3.68 -1.25 -1.68 116.67 133.05 1afp s ASP 43 Ca 0.35 2.42 0.23 0.00 2.13 0.00 0.00 52.55 57.68 1afp s ASP 43 Cb -0.11 -2.60 0.16 0.00 -1.45 0.00 0.00 42.92 38.92 1afp s ASP 43 CO 0.23 -0.64 1.13 -1.54 0.13 0.00 0.00 175.17 174.49 1afp n SER 44 N 3.33 0.63 0.00 -0.34 3.41 -1.26 -0.44 113.62 118.94 1afp n SER 44 Ca 0.09 -0.24 0.04 0.00 -0.26 0.00 0.00 58.87 58.50 1afp n SER 44 Cb 0.42 0.62 0.17 0.00 -0.26 0.00 0.00 64.21 65.15 1afp n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afp n TYR 45 N -1.85 0.00 0.00 7.33 4.11 -1.26 -4.24 117.16 121.26 1afp n TYR 45 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.93 1afp n TYR 45 Cb 0.41 -0.47 0.00 0.00 -0.00 0.00 0.00 39.34 39.28 1afp n TYR 45 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1afp n LYS 46 N -1.47 0.00 0.00 -3.48 2.85 -1.25 -5.03 118.16 109.78 1afp n LYS 46 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1afp n LYS 46 Cb 0.08 -0.01 0.00 0.00 -0.65 0.00 0.00 35.03 34.46 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1afp n GLY 47 N -1.40 1.60 0.00 2.58 0.00 0.41 -5.09 105.19 103.29 1afp n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1afp n GLY 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1afp n LYS 48 N -0.86 -0.68 -3.46 1.61 4.81 -1.21 -4.84 118.16 113.53 1afp n LYS 48 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1afp n LYS 48 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp n TYR 50 N 4.12 2.11 0.36 0.00 4.02 -1.18 -3.89 117.16 122.69 1afp n TYR 50 Ca 0.11 -2.66 0.03 0.00 -0.01 0.00 0.00 57.90 55.37 1afp n TYR 50 Cb 0.38 -2.20 0.17 0.00 -0.02 0.00 0.00 39.34 37.68 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85