#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 3.03 -0.28 0.00 2.01 -1.26 -4.32 115.64 114.82 1afp s THR 2 Ca 0.00 0.99 -0.07 0.00 0.31 0.00 0.00 61.69 62.93 1afp s THR 2 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1afp s THR 2 CO 0.00 0.20 0.07 -0.31 -0.69 0.00 0.00 174.62 173.89 1afp s TYR 3 N -1.22 3.12 0.25 4.92 2.02 -0.52 -4.86 117.35 121.07 1afp s TYR 3 Ca 0.50 -0.87 -0.18 0.00 -0.37 0.00 0.00 57.07 56.15 1afp s TYR 3 Cb -0.35 -2.24 -0.08 0.00 -0.40 0.00 0.00 41.96 38.88 1afp s TYR 3 CO 0.46 -0.53 0.72 -0.80 -1.57 0.00 0.00 175.55 173.83 1afp s ASN 4 N 1.52 6.95 0.00 2.29 0.02 -1.26 -0.50 114.94 123.96 1afp s ASN 4 Ca 0.04 1.35 0.00 0.00 -1.02 0.00 0.00 52.86 53.23 1afp s ASN 4 Cb -0.17 -2.40 0.00 0.00 0.02 0.00 0.00 41.25 38.71 1afp s ASN 4 CO 0.02 -0.05 0.00 0.61 0.02 0.00 0.00 177.10 177.71 1afp n GLY 5 N 0.35 1.96 3.16 0.66 0.00 -0.23 -3.85 105.19 107.23 1afp n GLY 5 Ca -0.00 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 4.39 0.69 0.38 1.61 1.02 0.51 -2.70 119.74 125.64 1afp s LYS 6 Ca 0.00 -0.79 0.08 0.00 0.02 0.00 0.00 55.97 55.28 1afp s LYS 6 Cb 0.00 0.28 -0.07 0.00 -0.52 0.00 0.00 37.83 37.51 1afp s LYS 6 CO 0.00 -0.19 -0.03 0.00 -0.92 0.00 0.00 175.35 174.20 1afp s TYR 8 N -2.67 0.79 0.00 0.00 2.02 -1.11 -1.07 117.35 115.31 1afp s TYR 8 Ca 0.34 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 1afp s TYR 8 Cb 0.07 -0.68 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 1afp s TYR 8 CO 0.17 -0.19 0.98 1.63 -1.57 0.00 0.00 175.55 176.58 1afp n LYS 9 N 3.96 0.00 0.00 -0.62 5.02 -1.26 0.25 118.16 125.51 1afp n LYS 9 Ca -0.25 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1afp n LYS 9 Cb 0.51 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1afp n LYS 9 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1afp n LYS 10 N -2.09 0.00 0.29 1.97 4.81 -1.26 0.20 118.16 122.09 1afp n LYS 10 Ca 0.00 0.66 0.16 0.00 -0.87 0.00 0.00 58.31 58.26 1afp n LYS 10 Cb 0.00 -1.15 0.77 0.00 0.02 0.00 0.00 35.03 34.67 1afp n LYS 10 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1afp h ASP 11 N 0.00 0.00 -6.89 3.14 5.19 -2.00 -3.45 116.42 112.41 1afp h ASP 11 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 1afp h ASP 11 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1afp h ASP 11 CO 0.00 0.00 -1.05 -3.20 -3.12 0.00 0.00 179.24 171.87 1afp n ASN 12 N -3.01 -4.36 -2.41 6.45 2.85 0.68 -4.82 115.26 110.64 1afp n ASN 12 Ca -0.00 -1.20 -0.12 0.00 -0.11 0.00 0.00 54.58 53.14 1afp n ASN 12 Cb 0.45 -1.64 -0.05 0.00 1.24 0.00 0.00 39.78 39.79 1afp n ASN 12 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1afp n ILE 13 N -4.29 0.00 -4.03 -1.44 -6.64 -0.97 -2.25 119.36 99.75 1afp n ILE 13 Ca -0.18 -1.52 -0.31 0.00 -1.77 0.00 0.00 62.75 58.97 1afp n ILE 13 Cb 0.61 0.77 -0.15 0.00 -1.44 0.00 0.00 39.64 39.42 1afp n ILE 13 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1afp s LYS 15 N 1.07 4.19 0.21 0.00 2.36 0.48 0.23 119.74 128.28 1afp s LYS 15 Ca -0.00 0.26 -0.22 0.00 -2.55 0.00 0.00 55.97 53.46 1afp s LYS 15 Cb -0.19 -3.38 0.05 0.00 -1.05 0.00 0.00 37.83 33.25 1afp s LYS 15 CO -0.07 0.32 0.69 1.52 1.55 0.00 0.00 175.35 179.37 1afp s TYR 16 N 0.15 -0.33 -0.54 4.03 1.13 -1.26 0.19 117.35 120.72 1afp s TYR 16 Ca 0.21 -0.01 -0.17 0.00 -1.41 0.00 0.00 57.07 55.70 1afp s TYR 16 Cb -0.14 0.64 0.11 0.00 -1.10 0.00 0.00 41.96 41.47 1afp s TYR 16 CO 0.08 -1.03 0.54 0.21 -2.51 0.00 0.00 175.55 172.83 1afp s LYS 17 N -3.78 3.01 1.02 -3.49 2.36 -1.25 -4.20 119.74 113.40 1afp s LYS 17 Ca 0.07 -1.54 -0.18 0.00 -2.55 0.00 0.00 55.97 51.76 1afp s LYS 17 Cb -0.04 -4.26 0.04 0.00 -1.05 0.00 0.00 37.83 32.52 1afp s LYS 17 CO -0.02 -1.33 -0.30 0.00 1.55 0.00 0.00 175.35 175.25 1afp n ALA 18 N 5.52 -2.97 -0.30 3.13 0.00 -1.26 -4.74 120.51 119.88 1afp n ALA 18 Ca -0.12 -1.16 -0.02 0.00 0.00 0.00 0.00 53.44 52.13 1afp n ALA 18 Cb 0.41 -1.04 0.10 0.00 0.00 0.00 0.00 19.45 18.92 1afp n ALA 18 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1afp h GLN 19 N -1.98 1.04 -0.05 0.00 -0.00 -1.96 -2.78 115.11 109.37 1afp h GLN 19 Ca -0.38 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1afp h GLN 19 Cb 1.11 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 28.35 1afp h GLN 19 CO 0.25 0.69 0.00 0.43 0.00 0.00 0.00 178.83 180.19 1afp n SER 20 N -4.55 1.87 0.00 -0.69 7.64 -1.26 -4.96 113.62 111.67 1afp n SER 20 Ca 0.10 -1.45 0.00 0.00 1.01 0.00 0.00 58.87 58.53 1afp n SER 20 Cb 0.07 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.47 1.60 0.39 0.23 0.00 -1.05 -4.87 105.19 101.95 1afp n GLY 21 Ca 0.06 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.24 1afp n GLY 21 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1afp h LYS 22 N 2.90 0.53 0.00 1.61 3.64 -1.93 -3.42 116.57 119.91 1afp h LYS 22 Ca 0.00 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.15 1afp h LYS 22 Cb 0.00 -0.12 0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1afp h LYS 22 CO 0.00 0.35 0.13 -2.37 -2.27 0.00 0.00 179.45 175.29 1afp n THR 23 N -4.59 0.00 0.00 1.00 5.66 -1.26 -5.04 114.28 110.05 1afp n THR 23 Ca 0.20 -0.55 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1afp n THR 23 Cb 0.64 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 1afp n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1afp n ALA 24 N -3.20 0.00 -1.59 1.79 0.00 -1.26 -4.48 120.51 111.77 1afp n ALA 24 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1afp n ALA 24 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1afp n ALA 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1afp n ILE 25 N 0.00 -4.92 -3.65 0.00 5.41 -1.23 -4.94 119.36 110.04 1afp n ILE 25 Ca 0.00 2.25 -0.03 0.00 1.00 0.00 0.00 62.75 65.96 1afp n ILE 25 Cb 0.00 -3.17 -0.06 0.00 -0.71 0.00 0.00 39.64 35.71 1afp n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1afp n LYS 27 N 5.33 0.00 -2.10 0.00 4.76 -1.26 0.70 118.16 125.59 1afp n LYS 27 Ca -0.12 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.08 1afp n LYS 27 Cb 0.50 -0.49 0.15 0.00 -1.84 0.00 0.00 35.03 33.35 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afp n TYR 29 N -3.20 0.00 0.00 0.00 9.36 -1.26 -4.94 117.16 117.12 1afp n TYR 29 Ca 0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.37 1afp n TYR 29 Cb 0.54 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 1afp n TYR 29 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1afp n VAL 30 N -0.02 0.00 -3.90 2.97 0.31 -1.26 -4.41 118.33 112.02 1afp n VAL 30 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1afp n VAL 30 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 1afp n VAL 30 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1afp s LYS 31 N 0.00 1.31 1.00 5.55 1.02 -1.26 -5.11 119.74 122.25 1afp s LYS 31 Ca 0.00 -1.76 -0.18 0.00 0.02 0.00 0.00 55.97 54.05 1afp s LYS 31 Cb 0.00 -2.79 -0.14 0.00 -0.52 0.00 0.00 37.83 34.38 1afp s LYS 31 CO 0.00 -1.00 -0.79 0.36 -0.92 0.00 0.00 175.35 173.01 1afp n LYS 32 N 4.21 -0.04 -1.87 1.68 0.00 -1.26 -4.59 118.16 116.28 1afp n LYS 32 Ca 0.03 -0.01 -0.41 0.00 -0.00 0.00 0.00 58.31 57.92 1afp n LYS 32 Cb 0.40 -1.08 -0.02 0.00 -0.00 0.00 0.00 35.03 34.34 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1afp h PRO 34 N 4.48 0.23 0.00 0.00 0.13 -1.90 -3.39 132.00 131.55 1afp h PRO 34 Ca -0.48 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1afp h PRO 34 Cb 1.22 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1afp h PRO 34 CO 0.75 0.92 0.00 2.89 -0.23 0.00 0.00 178.00 182.34 1afp n ARG 35 N -3.72 0.00 -1.44 0.86 1.85 -1.26 -4.87 116.66 108.07 1afp n ARG 35 Ca -0.04 0.00 -0.49 0.00 -1.00 0.00 0.00 57.85 56.32 1afp n ARG 35 Cb 0.76 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 32.13 1afp n ARG 35 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1afp n ASP 36 N 0.00 -0.67 0.00 2.89 2.03 -1.24 0.37 116.55 119.93 1afp n ASP 36 Ca 0.00 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.45 1afp n ASP 36 Cb 0.00 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1afp n GLY 37 N 1.85 3.07 3.65 0.27 0.00 -0.24 -4.95 105.19 108.84 1afp n GLY 37 Ca 0.17 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.65 -0.24 -1.74 4.61 0.00 0.16 -4.44 120.51 118.21 1afp n ALA 38 Ca 0.00 0.34 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 1afp n ALA 38 Cb 0.00 -2.19 0.05 0.00 0.00 0.00 0.00 19.45 17.32 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 4.00 2.87 0.26 0.00 2.36 -1.26 0.91 119.74 128.88 1afp s LYS 39 Ca 1.03 2.11 -0.17 0.00 -2.55 0.00 0.00 55.97 56.39 1afp s LYS 39 Cb -1.18 -2.04 0.01 0.00 -1.05 0.00 0.00 37.83 33.57 1afp s LYS 39 CO 0.67 -1.36 0.60 0.00 1.55 0.00 0.00 175.35 176.81 1afp s GLU 41 N -3.96 -0.02 -0.33 0.00 1.03 -1.26 -1.07 118.70 113.09 1afp s GLU 41 Ca 0.16 0.29 -0.17 0.00 0.03 0.00 0.00 54.97 55.28 1afp s GLU 41 Cb -0.03 -0.29 -0.01 0.00 -0.80 0.00 0.00 34.13 32.99 1afp s GLU 41 CO 0.07 -0.21 0.46 0.12 -1.33 0.00 0.00 175.26 174.37 1afp s PHE 42 N 1.42 3.20 0.11 4.83 5.36 0.34 -3.24 117.98 130.01 1afp s PHE 42 Ca -0.05 0.19 -0.30 0.00 -0.96 0.00 0.00 56.93 55.81 1afp s PHE 42 Cb -0.12 -2.82 -0.06 0.00 -0.34 0.00 0.00 43.02 39.68 1afp s PHE 42 CO -0.04 -0.46 1.12 0.34 -1.46 0.00 0.00 175.22 174.72 1afp s ASP 43 N 1.72 7.22 -0.18 6.13 -1.08 -1.24 -1.43 116.67 127.81 1afp s ASP 43 Ca 0.17 2.00 0.16 0.00 -0.52 0.00 0.00 52.55 54.36 1afp s ASP 43 Cb -0.16 -2.59 0.73 0.00 -1.46 0.00 0.00 42.92 39.44 1afp s ASP 43 CO 0.12 -0.31 1.64 -1.54 0.52 0.00 0.00 175.17 175.61 1afp n SER 44 N 3.12 5.03 -0.00 -0.34 3.41 -1.26 -2.83 113.62 120.75 1afp n SER 44 Ca 0.05 -2.75 0.05 0.00 -0.26 0.00 0.00 58.87 55.97 1afp n SER 44 Cb 0.47 -0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1afp n SER 44 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1afp n TYR 45 N 0.62 0.00 0.02 7.33 4.01 -1.26 -4.79 117.16 123.08 1afp n TYR 45 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1afp n TYR 45 Cb 1.02 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 1afp n TYR 45 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1afp n LYS 46 N -1.60 0.00 0.00 -0.72 5.02 -1.26 -5.06 118.16 114.54 1afp n LYS 46 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1afp n LYS 46 Cb 0.24 -0.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.95 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1afp n GLY 47 N 2.46 1.70 3.91 0.72 0.00 -1.13 -5.12 105.19 107.73 1afp n GLY 47 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1afp n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afp s LYS 48 N -0.39 2.40 -0.42 1.61 3.01 -1.26 -5.02 119.74 119.67 1afp s LYS 48 Ca 0.00 -1.73 -0.06 0.00 -1.01 0.00 0.00 55.97 53.18 1afp s LYS 48 Cb 0.00 -2.32 0.10 0.00 -1.01 0.00 0.00 37.83 34.60 1afp s LYS 48 CO 0.00 -0.45 0.23 0.00 0.51 0.00 0.00 175.35 175.64 1afp n TYR 50 N 4.73 1.20 1.21 0.00 4.02 -1.20 -4.39 117.16 122.73 1afp n TYR 50 Ca -0.06 -2.15 0.10 0.00 -0.01 0.00 0.00 57.90 55.77 1afp n TYR 50 Cb 0.42 -1.92 0.57 0.00 -0.02 0.00 0.00 39.34 38.39 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85