#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afp n THR 2 N 0.00 1.20 -2.69 0.00 -1.04 -1.26 -4.30 114.28 106.18 1afp n THR 2 Ca 0.00 -0.30 -0.05 0.00 -2.04 0.00 0.00 64.05 61.66 1afp n THR 2 Cb 0.00 -1.99 0.02 0.00 -1.82 0.00 0.00 70.33 66.54 1afp n THR 2 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1afp n TYR 3 N 1.85 -3.05 -3.70 -1.42 4.01 -0.82 -4.88 117.16 109.16 1afp n TYR 3 Ca 0.07 -0.43 -0.14 0.00 -0.16 0.00 0.00 57.90 57.24 1afp n TYR 3 Cb 0.37 -0.14 -0.14 0.00 -0.31 0.00 0.00 39.34 39.12 1afp n TYR 3 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1afp s ASN 4 N -1.84 0.23 0.00 7.72 0.02 -1.26 -3.26 114.94 116.55 1afp s ASN 4 Ca 0.14 0.44 0.00 0.00 -1.02 0.00 0.00 52.86 52.41 1afp s ASN 4 Cb -0.01 0.39 0.00 0.00 0.02 0.00 0.00 41.25 41.65 1afp s ASN 4 CO 0.09 -0.20 0.00 0.61 0.02 0.00 0.00 177.10 177.62 1afp n GLY 5 N 4.84 4.97 3.20 0.66 0.00 -0.05 -4.70 105.19 114.10 1afp n GLY 5 Ca -0.15 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 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 4.98 0.81 0.09 1.61 1.02 0.05 -2.61 119.74 125.69 1afp s LYS 6 Ca 0.00 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.15 1afp s LYS 6 Cb 0.00 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.60 1afp s LYS 6 CO 0.00 -0.25 -0.08 0.00 -0.92 0.00 0.00 175.35 174.09 1afp s TYR 8 N -2.86 2.51 -0.17 0.00 2.02 0.78 -1.72 117.35 117.92 1afp s TYR 8 Ca 0.07 -0.58 -0.06 0.00 -0.37 0.00 0.00 57.07 56.13 1afp s TYR 8 Cb -0.00 -2.07 -0.08 0.00 -0.40 0.00 0.00 41.96 39.41 1afp s TYR 8 CO -0.02 -0.08 -0.20 0.36 -1.57 0.00 0.00 175.55 174.04 1afp n LYS 9 N -1.48 0.37 0.06 -0.62 -0.00 -1.26 -2.93 118.16 112.31 1afp n LYS 9 Ca 0.01 0.14 -0.11 0.00 -0.00 0.00 0.00 58.31 58.35 1afp n LYS 9 Cb 0.63 -1.16 -0.05 0.00 -0.00 0.00 0.00 35.03 34.45 1afp n LYS 9 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1afp h LYS 10 N -0.46 -0.40 -0.01 -1.58 3.64 -1.97 -1.49 116.57 114.31 1afp h LYS 10 Ca -0.42 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1afp h LYS 10 Cb 1.42 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1afp h LYS 10 CO -0.21 -0.26 -0.34 -3.47 -2.27 0.00 0.00 179.45 172.90 1afp n ASP 11 N -5.38 1.08 -3.87 4.20 -0.08 -1.26 -4.97 116.55 106.27 1afp n ASP 11 Ca -0.05 -0.89 -0.32 0.00 -1.51 0.00 0.00 54.79 52.02 1afp n ASP 11 Cb 0.29 0.22 0.01 0.00 2.34 0.00 0.00 41.12 43.98 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1afp n ASN 12 N -0.71 -4.21 -4.08 1.67 5.15 -0.56 -4.79 115.26 107.73 1afp n ASN 12 Ca 0.11 -1.05 -0.21 0.00 -0.60 0.00 0.00 54.58 52.82 1afp n ASN 12 Cb 0.36 -1.48 -0.09 0.00 -0.53 0.00 0.00 39.78 38.04 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 -3.21 0.53 -0.24 -1.44 -5.25 -1.15 -0.86 121.20 109.57 1afp s ILE 13 Ca 0.19 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 57.84 1afp s ILE 13 Cb -0.11 -2.50 0.07 0.00 2.95 0.00 0.00 42.46 42.88 1afp s ILE 13 CO 0.87 0.00 0.04 0.00 -1.79 0.00 0.00 174.94 174.06 1afp s LYS 15 N 1.66 3.93 0.04 0.00 1.02 0.34 0.92 119.74 127.65 1afp s LYS 15 Ca 0.02 0.05 -0.28 0.00 0.02 0.00 0.00 55.97 55.77 1afp s LYS 15 Cb -0.18 -3.31 0.09 0.00 -0.52 0.00 0.00 37.83 33.92 1afp s LYS 15 CO -0.14 0.50 1.03 1.52 -0.92 0.00 0.00 175.35 177.35 1afp s TYR 16 N -0.31 -0.17 -0.02 3.18 1.13 -1.26 -0.77 117.35 119.12 1afp s TYR 16 Ca 0.16 -0.02 -0.16 0.00 -1.41 0.00 0.00 57.07 55.65 1afp s TYR 16 Cb -0.13 0.58 -0.05 0.00 -1.10 0.00 0.00 41.96 41.25 1afp s TYR 16 CO 0.05 -0.57 0.43 0.15 -2.51 0.00 0.00 175.55 173.10 1afp s LYS 17 N -2.98 4.04 -0.36 -3.49 -0.14 -1.26 -4.06 119.74 111.49 1afp s LYS 17 Ca 0.10 0.44 0.00 0.00 -1.36 0.00 0.00 55.97 55.15 1afp s LYS 17 Cb -0.00 -3.27 0.33 0.00 -1.68 0.00 0.00 37.83 33.20 1afp s LYS 17 CO -0.03 0.57 1.85 0.00 -0.76 0.00 0.00 175.35 176.98 1afp n ALA 18 N 2.23 5.06 0.00 5.17 0.00 -1.26 -4.86 120.51 126.85 1afp n ALA 18 Ca -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.31 1afp n ALA 18 Cb 0.52 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.18 0.00 -0.09 0.00 -0.06 -1.26 -3.62 117.38 112.16 1afp n GLN 19 Ca 0.38 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.48 1afp n GLN 19 Cb 0.83 0.00 0.34 0.00 -4.06 0.00 0.00 30.24 27.35 1afp n GLN 19 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1afp n SER 20 N 1.39 1.65 0.00 1.69 3.41 -1.26 -4.87 113.62 115.62 1afp n SER 20 Ca 0.00 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1afp n SER 20 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1afp n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1afp n GLY 21 N 1.11 0.66 0.00 5.00 0.00 -1.24 -4.94 105.19 105.78 1afp n GLY 21 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1afp n GLY 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1afp n LYS 22 N -2.04 0.00 -0.43 1.61 4.81 -1.26 -4.72 118.16 116.13 1afp n LYS 22 Ca 0.00 0.05 -0.13 0.00 -0.87 0.00 0.00 58.31 57.35 1afp n LYS 22 Cb 0.03 -0.72 0.13 0.00 0.02 0.00 0.00 35.03 34.50 1afp n LYS 22 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1afp n THR 23 N -0.26 0.00 0.00 3.15 5.66 -1.26 -4.88 114.28 116.69 1afp n THR 23 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1afp n THR 23 Cb 0.00 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 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 -4.08 0.00 -1.66 1.79 0.00 -1.26 -4.30 120.51 111.01 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 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -5.41 -3.34 0.00 5.41 -1.21 -4.93 119.36 109.88 1afp n ILE 25 Ca 0.00 2.45 0.02 0.00 1.00 0.00 0.00 62.75 66.23 1afp n ILE 25 Cb 0.00 -3.33 -0.02 0.00 -0.71 0.00 0.00 39.64 35.58 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 5.44 0.00 -0.87 0.00 5.02 -1.26 -0.17 118.16 126.31 1afp n LYS 27 Ca -0.05 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.96 1afp n LYS 27 Cb 0.50 -0.55 -0.03 0.00 -0.02 0.00 0.00 35.03 34.94 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 4.96 1.78 -0.54 0.00 9.36 -1.26 -4.37 117.16 127.09 1afp n TYR 29 Ca 0.47 0.74 0.00 0.00 3.32 0.00 0.00 57.90 62.43 1afp n TYR 29 Cb 0.20 -2.37 0.00 0.00 -0.63 0.00 0.00 39.34 36.54 1afp n TYR 29 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1afp n VAL 30 N 4.97 -1.50 -2.01 2.97 0.24 -1.26 -4.57 118.33 117.17 1afp n VAL 30 Ca 0.34 0.61 0.09 0.00 -2.04 0.00 0.00 64.34 63.35 1afp n VAL 30 Cb 0.05 -0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 31.46 1afp n VAL 30 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1afp n LYS 31 N -1.57 -1.38 -4.05 7.34 3.00 -1.26 -4.82 118.16 115.42 1afp n LYS 31 Ca 0.00 0.91 -0.13 0.00 -0.00 0.00 0.00 58.31 59.09 1afp n LYS 31 Cb 0.11 -1.68 -0.12 0.00 0.00 0.00 0.00 35.03 33.34 1afp n LYS 31 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1afp s LYS 32 N -1.21 0.43 0.42 1.64 2.20 -1.26 -4.93 119.74 117.03 1afp s LYS 32 Ca 0.00 -0.58 -0.24 0.00 -0.36 0.00 0.00 55.97 54.78 1afp s LYS 32 Cb 0.00 -0.21 -0.08 0.00 -1.51 0.00 0.00 37.83 36.03 1afp s LYS 32 CO 0.00 0.04 1.17 0.00 -0.36 0.00 0.00 175.35 176.20 1afp h PRO 34 N 2.42 0.26 -1.68 0.00 0.13 -1.89 -3.41 132.00 127.83 1afp h PRO 34 Ca -0.49 -0.25 0.04 0.00 -0.87 0.00 0.00 66.00 64.43 1afp h PRO 34 Cb 1.24 0.06 -0.24 0.00 0.13 0.00 0.00 31.00 32.19 1afp h PRO 34 CO 0.62 0.94 0.41 -0.98 -0.23 0.00 0.00 178.00 178.76 1afp s ARG 35 N -3.31 0.63 0.07 0.86 3.03 -1.26 -4.89 118.95 114.08 1afp s ARG 35 Ca -0.15 0.50 -0.35 0.00 2.03 0.00 0.00 55.73 57.76 1afp s ARG 35 Cb 0.02 0.30 -0.19 0.00 -1.03 0.00 0.00 34.95 34.06 1afp s ARG 35 CO 0.76 -0.12 0.85 -3.47 -1.13 0.00 0.00 175.30 172.19 1afp n ASP 36 N 1.76 -0.47 0.00 -2.89 -0.08 -1.26 -0.56 116.55 113.05 1afp n ASP 36 Ca -0.13 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.28 1afp n ASP 36 Cb 0.56 -0.91 0.00 0.00 2.34 0.00 0.00 41.12 43.11 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1afp n GLY 37 N 1.66 2.69 3.30 0.27 0.00 -0.70 -4.98 105.19 107.42 1afp n GLY 37 Ca 0.19 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.45 -1.17 -1.74 4.61 0.00 0.28 -4.28 120.51 117.75 1afp n ALA 38 Ca 0.00 0.44 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 1afp n ALA 38 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 2.69 3.33 0.16 0.00 2.20 -1.26 0.14 119.74 127.01 1afp s LYS 39 Ca 0.93 1.54 -0.16 0.00 -0.36 0.00 0.00 55.97 57.91 1afp s LYS 39 Cb -1.32 -2.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1afp s LYS 39 CO 0.72 -0.85 0.46 0.00 -0.36 0.00 0.00 175.35 175.32 1afp s GLU 41 N -3.85 2.47 -0.44 0.00 0.41 -1.26 -0.87 118.70 115.16 1afp s GLU 41 Ca 0.07 -0.63 -0.25 0.00 -0.41 0.00 0.00 54.97 53.75 1afp s GLU 41 Cb 0.00 -2.18 0.02 0.00 -1.78 0.00 0.00 34.13 30.20 1afp s GLU 41 CO -0.07 -0.18 0.89 0.12 -0.49 0.00 0.00 175.26 175.54 1afp s PHE 42 N 1.30 2.96 0.10 1.61 5.36 -1.20 -3.16 117.98 124.96 1afp s PHE 42 Ca 0.02 0.40 -0.31 0.00 -0.96 0.00 0.00 56.93 56.08 1afp s PHE 42 Cb -0.13 -3.85 -0.09 0.00 -0.34 0.00 0.00 43.02 38.61 1afp s PHE 42 CO -0.09 -1.03 1.65 0.34 -1.46 0.00 0.00 175.22 174.63 1afp s ASP 43 N 2.17 6.58 0.23 6.13 3.68 -1.12 -1.94 116.67 132.40 1afp s ASP 43 Ca 0.36 2.56 0.22 0.00 2.13 0.00 0.00 52.55 57.82 1afp s ASP 43 Cb -0.11 -2.57 0.03 0.00 -1.45 0.00 0.00 42.92 38.82 1afp s ASP 43 CO 0.24 -0.88 1.10 0.77 0.13 0.00 0.00 175.17 176.54 1afp h SER 44 N 7.88 0.00 0.42 -0.34 4.64 -1.92 0.29 113.55 124.51 1afp h SER 44 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1afp h SER 44 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1afp h SER 44 CO 0.93 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.90 1afp n TYR 45 N -2.73 0.00 0.16 4.77 4.11 -1.26 -4.44 117.16 117.76 1afp n TYR 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1afp n TYR 45 Cb 0.56 -0.49 0.00 0.00 -0.00 0.00 0.00 39.34 39.41 1afp n TYR 45 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1afp n LYS 46 N -1.49 0.00 0.00 -3.48 5.02 -1.24 -5.08 118.16 111.89 1afp n LYS 46 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1afp n LYS 46 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 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 -0.23 0.91 4.02 0.72 0.00 0.10 -5.06 105.19 105.66 1afp n GLY 47 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 2.53 -0.24 1.61 3.01 -1.22 -4.89 119.74 120.54 1afp s LYS 48 Ca 0.00 -1.48 0.02 0.00 -1.01 0.00 0.00 55.97 53.50 1afp s LYS 48 Cb 0.00 -2.68 0.05 0.00 -1.01 0.00 0.00 37.83 34.19 1afp s LYS 48 CO 0.00 -0.60 -0.12 0.00 0.51 0.00 0.00 175.35 175.15 1afp n TYR 50 N 4.52 2.63 0.00 0.00 4.02 -1.19 -4.55 117.16 122.59 1afp n TYR 50 Ca -0.15 -2.68 0.00 0.00 -0.01 0.00 0.00 57.90 55.06 1afp n TYR 50 Cb 0.44 -1.52 0.00 0.00 -0.02 0.00 0.00 39.34 38.24 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85