#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 3.68 -3.22 0.00 -1.04 -1.26 -4.53 114.28 107.91 1afp n THR 2 Ca 0.00 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.41 1afp n THR 2 Cb 0.00 -1.38 0.02 0.00 -1.82 0.00 0.00 70.33 67.15 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 -1.30 -2.18 -3.85 -1.42 4.01 -0.89 -4.87 117.16 106.66 1afp n TYR 3 Ca 0.12 -1.07 -0.11 0.00 -0.16 0.00 0.00 57.90 56.67 1afp n TYR 3 Cb 0.45 -0.26 -0.10 0.00 -0.31 0.00 0.00 39.34 39.13 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 -2.72 -0.02 0.00 7.72 0.02 -1.26 -2.82 114.94 115.87 1afp s ASN 4 Ca 0.26 -0.13 0.00 0.00 -1.02 0.00 0.00 52.86 51.96 1afp s ASN 4 Cb -0.02 0.23 0.00 0.00 0.02 0.00 0.00 41.25 41.48 1afp s ASN 4 CO 0.16 -0.36 0.00 0.61 0.02 0.00 0.00 177.10 177.53 1afp n GLY 5 N 1.53 1.25 3.24 0.66 0.00 0.74 -4.27 105.19 108.34 1afp n GLY 5 Ca -0.22 0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 3.97 0.91 0.13 1.61 1.02 -0.98 -3.00 119.74 123.40 1afp s LYS 6 Ca 0.00 -0.88 0.06 0.00 0.02 0.00 0.00 55.97 55.18 1afp s LYS 6 Cb 0.00 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.65 1afp s LYS 6 CO 0.00 -0.31 -0.14 0.00 -0.92 0.00 0.00 175.35 173.98 1afp s TYR 8 N -2.23 2.76 -0.06 0.00 2.02 -0.66 -1.81 117.35 117.36 1afp s TYR 8 Ca 0.10 -0.44 -0.26 0.00 -0.37 0.00 0.00 57.07 56.11 1afp s TYR 8 Cb -0.04 -1.75 -0.23 0.00 -0.40 0.00 0.00 41.96 39.53 1afp s TYR 8 CO 0.03 -0.04 1.02 1.57 -1.57 0.00 0.00 175.55 176.56 1afp h LYS 9 N 6.12 0.11 -0.49 -0.62 2.10 -1.79 1.91 116.57 123.91 1afp h LYS 9 Ca -0.34 -0.11 0.10 0.00 -2.00 0.00 0.00 60.65 58.29 1afp h LYS 9 Cb 1.19 0.03 -0.08 0.00 -0.90 0.00 0.00 32.23 32.47 1afp h LYS 9 CO 0.53 0.86 -0.02 -0.22 -2.00 0.00 0.00 179.45 178.60 1afp h LYS 10 N -0.60 0.09 -0.00 0.07 3.64 -1.95 0.16 116.57 117.98 1afp h LYS 10 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1afp h LYS 10 Cb 0.91 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1afp h LYS 10 CO 0.03 0.06 -0.44 -0.25 -2.27 0.00 0.00 179.45 176.58 1afp n ASP 11 N -5.25 0.75 -4.12 4.20 10.43 -1.24 -4.96 116.55 116.36 1afp n ASP 11 Ca 0.05 -0.55 -0.46 0.00 2.57 0.00 0.00 54.79 56.40 1afp n ASP 11 Cb 0.26 0.26 0.01 0.00 1.84 0.00 0.00 41.12 43.49 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1afp n ASN 12 N -1.17 -3.51 -4.04 -2.24 5.15 0.63 -4.72 115.26 105.36 1afp n ASN 12 Ca 0.08 -1.31 -0.22 0.00 -0.60 0.00 0.00 54.58 52.53 1afp n ASN 12 Cb 0.34 -1.58 -0.09 0.00 -0.53 0.00 0.00 39.78 37.93 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 -3.63 0.49 -0.20 -1.44 -5.25 -0.12 0.75 121.20 111.81 1afp s ILE 13 Ca 0.44 -2.00 -0.00 0.00 -0.99 0.00 0.00 60.65 58.10 1afp s ILE 13 Cb -0.25 -2.48 0.05 0.00 2.95 0.00 0.00 42.46 42.74 1afp s ILE 13 CO 0.98 0.00 -0.05 0.00 -1.79 0.00 0.00 174.94 174.08 1afp s LYS 15 N 1.53 3.46 -0.25 0.00 -2.85 0.11 -0.11 119.74 121.63 1afp s LYS 15 Ca -0.02 -0.50 -0.37 0.00 -1.00 0.00 0.00 55.97 54.07 1afp s LYS 15 Cb -0.17 -2.96 0.15 0.00 -2.06 0.00 0.00 37.83 32.79 1afp s LYS 15 CO -0.07 0.52 1.32 1.52 0.10 0.00 0.00 175.35 178.73 1afp s TYR 16 N -1.71 -0.06 -0.15 1.78 1.13 -0.56 -2.33 117.35 115.46 1afp s TYR 16 Ca 0.36 0.03 -0.29 0.00 -1.41 0.00 0.00 57.07 55.76 1afp s TYR 16 Cb -0.11 0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 41.24 1afp s TYR 16 CO 0.28 -0.09 1.08 0.15 -2.51 0.00 0.00 175.55 174.46 1afp s LYS 17 N -2.19 4.33 0.64 -3.49 1.02 -1.26 0.18 119.74 118.98 1afp s LYS 17 Ca 0.11 1.45 -0.10 0.00 0.02 0.00 0.00 55.97 57.45 1afp s LYS 17 Cb -0.01 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.68 1afp s LYS 17 CO -0.03 -0.50 1.02 0.00 -0.92 0.00 0.00 175.35 174.92 1afp s ALA 18 N 2.65 3.07 0.42 5.17 0.00 -1.26 -4.84 121.76 126.97 1afp s ALA 18 Ca 0.49 -0.31 0.27 0.00 0.00 0.00 0.00 51.96 52.40 1afp s ALA 18 Cb -0.18 -2.95 1.35 0.00 0.00 0.00 0.00 23.12 21.33 1afp s ALA 18 CO 0.14 -0.86 1.64 -0.56 0.00 0.00 0.00 175.76 176.12 1afp h GLN 19 N -0.39 0.14 -0.15 0.00 -0.00 -1.97 0.74 115.11 113.47 1afp h GLN 19 Ca -0.45 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.23 1afp h GLN 19 Cb 1.23 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.48 28.64 1afp h GLN 19 CO 0.63 0.09 -0.08 0.66 -0.00 0.00 0.00 178.83 180.13 1afp h SER 20 N 0.14 -0.26 0.00 0.06 4.64 -2.02 -3.46 113.55 112.65 1afp h SER 20 Ca 0.78 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 62.17 1afp h SER 20 Cb 2.34 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 64.57 1afp h SER 20 CO -0.44 -0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.02 1afp n GLY 21 N -1.22 0.59 0.00 -0.77 0.00 0.26 -5.09 105.19 98.95 1afp n GLY 21 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 -3.64 1.61 4.81 -1.26 -4.77 118.16 114.92 1afp n LYS 22 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1afp n LYS 22 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1afp n LYS 22 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1afp s THR 23 N 0.44 0.00 -0.08 3.15 2.01 -1.26 -4.09 115.64 115.82 1afp s THR 23 Ca 0.00 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.04 1afp s THR 23 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1afp s THR 23 CO 0.00 0.00 -0.21 0.00 -0.69 0.00 0.00 174.62 173.72 1afp s ALA 24 N 1.02 1.89 -0.00 7.40 0.00 0.49 -4.78 121.76 127.78 1afp s ALA 24 Ca -0.05 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1afp s ALA 24 Cb -0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1afp s ALA 24 CO -0.10 0.27 -0.00 0.42 0.00 0.00 0.00 175.76 176.35 1afp s ILE 25 N 0.31 4.15 -0.26 0.00 1.01 -1.26 -1.49 121.20 123.65 1afp s ILE 25 Ca -0.14 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1afp s ILE 25 Cb -0.16 -2.85 0.10 0.00 0.01 0.00 0.00 42.46 39.56 1afp s ILE 25 CO 0.06 0.38 0.15 0.00 0.00 0.00 0.00 174.94 175.54 1afp n LYS 27 N 5.27 0.44 -2.01 0.00 2.85 -1.26 -0.87 118.16 122.57 1afp n LYS 27 Ca -0.06 0.15 -0.43 0.00 -1.05 0.00 0.00 58.31 56.93 1afp n LYS 27 Cb 0.44 -1.28 -0.03 0.00 -0.65 0.00 0.00 35.03 33.51 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1afp n TYR 29 N 9.12 0.55 0.00 0.00 4.11 -1.26 -4.87 117.16 124.81 1afp n TYR 29 Ca 0.21 -0.55 0.00 0.00 -0.00 0.00 0.00 57.90 57.56 1afp n TYR 29 Cb 0.45 -0.07 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 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 0.43 0.00 -2.89 -3.48 0.24 -1.26 -5.05 118.33 106.32 1afp n VAL 30 Ca 0.13 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.00 1afp n VAL 30 Cb 0.50 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.82 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 1.60 3.37 0.71 7.34 1.02 -1.26 -5.00 119.74 127.51 1afp s LYS 31 Ca 0.00 -0.20 -0.18 0.00 0.02 0.00 0.00 55.97 55.62 1afp s LYS 31 Cb 0.00 -4.01 -0.15 0.00 -0.52 0.00 0.00 37.83 33.15 1afp s LYS 31 CO 0.00 -1.34 -0.40 1.17 -0.92 0.00 0.00 175.35 173.87 1afp n LYS 32 N 7.15 0.00 -2.34 1.68 4.81 -1.26 -4.70 118.16 123.50 1afp n LYS 32 Ca 0.02 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.08 1afp n LYS 32 Cb 0.48 -1.01 -0.02 0.00 0.02 0.00 0.00 35.03 34.50 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 2.55 0.60 0.00 0.00 0.13 -1.90 -3.40 132.00 129.98 1afp h PRO 34 Ca -0.49 -0.59 0.00 0.00 -0.87 0.00 0.00 66.00 64.05 1afp h PRO 34 Cb 1.23 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1afp h PRO 34 CO 0.62 1.20 0.00 2.89 -0.23 0.00 0.00 178.00 182.49 1afp n ARG 35 N -4.04 0.00 -1.51 0.86 1.85 -1.26 -4.81 116.66 107.75 1afp n ARG 35 Ca -0.10 0.00 -0.50 0.00 -1.00 0.00 0.00 57.85 56.25 1afp n ARG 35 Cb 0.75 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 32.12 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 0.29 0.00 2.89 -0.08 -1.23 -0.42 116.55 118.00 1afp n ASP 36 Ca 0.00 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 1afp n ASP 36 Cb 0.00 -1.09 0.00 0.00 2.34 0.00 0.00 41.12 42.37 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 1.81 2.98 3.62 0.27 0.00 -0.75 -4.97 105.19 108.16 1afp n GLY 37 Ca 0.16 -0.01 -0.64 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 -0.72 -1.74 4.61 0.00 0.44 -4.37 120.51 118.73 1afp n ALA 38 Ca 0.00 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.45 1afp n ALA 38 Cb 0.00 -2.03 0.06 0.00 0.00 0.00 0.00 19.45 17.48 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 3.91 2.80 0.03 0.00 2.36 -1.26 0.96 119.74 128.53 1afp s LYS 39 Ca 1.08 2.12 -0.28 0.00 -2.55 0.00 0.00 55.97 56.34 1afp s LYS 39 Cb -1.41 -2.01 0.08 0.00 -1.05 0.00 0.00 37.83 33.44 1afp s LYS 39 CO 0.75 -1.42 0.69 0.00 1.55 0.00 0.00 175.35 176.91 1afp s GLU 41 N -2.34 1.70 -0.29 0.00 -1.05 -1.25 -0.19 118.70 115.28 1afp s GLU 41 Ca -0.04 -1.35 -0.01 0.00 -0.15 0.00 0.00 54.97 53.41 1afp s GLU 41 Cb -0.01 -2.00 0.05 0.00 -0.44 0.00 0.00 34.13 31.74 1afp s GLU 41 CO -0.01 0.43 -0.02 0.12 0.95 0.00 0.00 175.26 176.73 1afp s PHE 42 N -1.47 3.26 0.35 4.83 5.36 -1.13 -2.43 117.98 126.76 1afp s PHE 42 Ca 0.20 -1.95 -0.28 0.00 -0.96 0.00 0.00 56.93 53.94 1afp s PHE 42 Cb -0.09 -2.07 -0.11 0.00 -0.34 0.00 0.00 43.02 40.40 1afp s PHE 42 CO 0.11 -0.82 1.46 -3.47 -1.46 0.00 0.00 175.22 171.05 1afp n ASP 43 N 4.59 3.58 -1.11 6.13 2.03 -1.14 -2.10 116.55 128.53 1afp n ASP 43 Ca -0.13 1.21 0.05 0.00 0.52 0.00 0.00 54.79 56.43 1afp n ASP 43 Cb 0.43 -1.58 0.26 0.00 -0.72 0.00 0.00 41.12 39.51 1afp n ASP 43 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1afp n SER 44 N 0.84 3.87 -0.01 1.67 3.41 -1.26 -3.36 113.62 118.78 1afp n SER 44 Ca 0.03 -3.16 0.04 0.00 -0.26 0.00 0.00 58.87 55.53 1afp n SER 44 Cb 0.38 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.66 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 -0.51 0.00 0.06 7.33 4.01 -1.26 -4.87 117.16 121.91 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 0.99 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.78 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 -1.88 0.00 0.00 -0.72 4.76 -1.26 -5.08 118.16 113.97 1afp n LYS 46 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1afp n LYS 46 Cb 0.31 -0.12 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1afp n GLY 47 N 1.91 0.97 3.80 0.72 0.00 -1.21 -5.11 105.19 106.26 1afp n GLY 47 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.06 2.46 -0.38 1.61 -0.14 -1.26 -4.98 119.74 117.12 1afp s LYS 48 Ca 0.00 -1.55 -0.01 0.00 -1.36 0.00 0.00 55.97 53.05 1afp s LYS 48 Cb 0.00 -2.26 0.10 0.00 -1.68 0.00 0.00 37.83 33.99 1afp s LYS 48 CO 0.00 -0.03 0.14 0.00 -0.76 0.00 0.00 175.35 174.69 1afp n TYR 50 N 4.51 2.97 0.00 0.00 4.02 -1.02 -4.77 117.16 122.87 1afp n TYR 50 Ca -0.02 -3.03 0.00 0.00 -0.01 0.00 0.00 57.90 54.84 1afp n TYR 50 Cb 0.42 -2.51 0.00 0.00 -0.02 0.00 0.00 39.34 37.23 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85