#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 4.55 0.55 0.00 2.01 -1.26 -3.51 115.64 117.99 1afp s THR 2 Ca 0.00 1.57 -0.04 0.00 0.31 0.00 0.00 61.69 63.53 1afp s THR 2 Cb 0.00 -4.08 0.12 0.00 0.01 0.00 0.00 72.50 68.55 1afp s THR 2 CO 0.00 0.48 0.76 -1.22 -0.69 0.00 0.00 174.62 173.95 1afp n TYR 3 N 1.98 -3.39 -3.77 4.92 4.01 -0.19 -4.88 117.16 115.84 1afp n TYR 3 Ca -0.06 -1.07 -0.13 0.00 -0.16 0.00 0.00 57.90 56.48 1afp n TYR 3 Cb 0.50 -0.57 -0.11 0.00 -0.31 0.00 0.00 39.34 38.85 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 -3.96 -0.30 0.00 7.72 -0.87 -1.26 -3.34 114.94 112.93 1afp s ASN 4 Ca 0.47 0.57 0.00 0.00 -1.57 0.00 0.00 52.86 52.33 1afp s ASN 4 Cb -0.02 0.60 0.00 0.00 -0.02 0.00 0.00 41.25 41.80 1afp s ASN 4 CO 0.32 -0.13 0.00 0.61 -2.57 0.00 0.00 177.10 175.33 1afp n GLY 5 N 2.78 2.29 3.16 0.66 0.00 -0.97 -4.08 105.19 109.03 1afp n GLY 5 Ca -0.14 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 4.34 0.81 0.08 1.61 1.02 0.13 -2.19 119.74 125.54 1afp s LYS 6 Ca 0.00 -1.29 0.04 0.00 0.02 0.00 0.00 55.97 54.74 1afp s LYS 6 Cb 0.00 -0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 1afp s LYS 6 CO 0.00 -0.01 -0.12 0.00 -0.92 0.00 0.00 175.35 174.30 1afp s TYR 8 N -1.73 2.65 -0.10 0.00 2.02 0.12 -1.73 117.35 118.57 1afp s TYR 8 Ca -0.00 -0.25 -0.26 0.00 -0.37 0.00 0.00 57.07 56.18 1afp s TYR 8 Cb -0.07 -1.63 -0.28 0.00 -0.40 0.00 0.00 41.96 39.58 1afp s TYR 8 CO 0.01 0.11 0.81 1.57 -1.57 0.00 0.00 175.55 176.48 1afp h LYS 9 N 5.49 0.12 -0.24 -0.62 5.09 -1.83 2.42 116.57 126.99 1afp h LYS 9 Ca -0.44 -0.21 0.07 0.00 0.09 0.00 0.00 60.65 60.16 1afp h LYS 9 Cb 1.15 0.08 -0.01 0.00 0.10 0.00 0.00 32.23 33.55 1afp h LYS 9 CO 0.50 1.10 0.19 -0.22 -2.09 0.00 0.00 179.45 178.93 1afp h LYS 10 N -0.74 0.00 0.00 0.07 1.63 -1.94 0.33 116.57 115.91 1afp h LYS 10 Ca -0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1afp h LYS 10 Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1afp h LYS 10 CO 0.06 0.00 -0.66 -0.25 -3.45 0.00 0.00 179.45 175.15 1afp n ASP 11 N -4.32 0.68 -4.11 4.20 10.43 -1.23 -5.00 116.55 117.20 1afp n ASP 11 Ca 0.03 -0.76 -0.36 0.00 2.57 0.00 0.00 54.79 56.27 1afp n ASP 11 Cb 0.34 1.03 -0.03 0.00 1.84 0.00 0.00 41.12 44.30 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 -1.34 -1.81 -4.25 -2.24 2.85 0.79 -4.84 115.26 104.42 1afp n ASN 12 Ca 0.02 -1.22 -0.14 0.00 -0.11 0.00 0.00 54.58 53.13 1afp n ASN 12 Cb 0.21 -2.01 -0.10 0.00 1.24 0.00 0.00 39.78 39.12 1afp n ASN 12 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1afp s ILE 13 N -3.90 0.30 -0.29 -1.44 -5.25 -0.02 -1.06 121.20 109.53 1afp s ILE 13 Ca 0.24 -1.99 0.01 0.00 -0.99 0.00 0.00 60.65 57.92 1afp s ILE 13 Cb -0.12 -2.51 0.08 0.00 2.95 0.00 0.00 42.46 42.86 1afp s ILE 13 CO 0.96 -0.06 0.03 0.00 -1.79 0.00 0.00 174.94 174.08 1afp s LYS 15 N 1.33 4.24 0.38 0.00 -2.85 0.51 -0.30 119.74 123.05 1afp s LYS 15 Ca 0.04 0.10 -0.09 0.00 -1.00 0.00 0.00 55.97 55.02 1afp s LYS 15 Cb -0.18 -3.45 0.03 0.00 -2.06 0.00 0.00 37.83 32.17 1afp s LYS 15 CO -0.13 0.19 0.65 1.52 0.10 0.00 0.00 175.35 177.69 1afp s TYR 16 N 0.61 0.60 -0.49 1.78 1.13 -1.26 0.21 117.35 119.92 1afp s TYR 16 Ca 0.16 -1.08 -0.10 0.00 -1.41 0.00 0.00 57.07 54.65 1afp s TYR 16 Cb -0.13 0.41 0.13 0.00 -1.10 0.00 0.00 41.96 41.26 1afp s TYR 16 CO 0.04 -1.40 0.38 0.15 -2.51 0.00 0.00 175.55 172.21 1afp s LYS 17 N -2.53 2.56 1.02 -3.49 -0.14 -1.26 -4.34 119.74 111.57 1afp s LYS 17 Ca 0.23 -1.81 -0.17 0.00 -1.36 0.00 0.00 55.97 52.86 1afp s LYS 17 Cb -0.03 -3.97 -0.01 0.00 -1.68 0.00 0.00 37.83 32.14 1afp s LYS 17 CO 0.16 -1.21 -0.20 0.00 -0.76 0.00 0.00 175.35 173.34 1afp n ALA 18 N 4.86 -4.05 -0.01 5.17 0.00 -1.26 -4.72 120.51 120.50 1afp n ALA 18 Ca -0.07 -0.93 0.11 0.00 0.00 0.00 0.00 53.44 52.55 1afp n ALA 18 Cb 0.41 -1.46 0.54 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.53 0.31 -0.03 0.00 5.75 -1.97 -1.52 115.11 116.12 1afp h GLN 19 Ca -0.46 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1afp h GLN 19 Cb 1.32 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.80 1afp h GLN 19 CO 0.32 0.20 0.00 -1.13 -2.65 0.00 0.00 178.83 175.57 1afp n SER 20 N -4.47 1.55 0.00 -0.69 3.41 -1.26 -4.96 113.62 107.20 1afp n SER 20 Ca 0.07 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 1afp n SER 20 Cb 0.32 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.23 0.79 0.36 5.00 0.00 -0.57 -4.86 105.19 106.14 1afp n GLY 21 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 2.36 1.25 0.00 1.61 1.63 -1.93 -3.44 116.57 118.05 1afp h LYS 22 Ca 0.00 -0.10 -0.26 0.00 -0.85 0.00 0.00 60.65 59.45 1afp h LYS 22 Cb 0.01 -0.27 0.11 0.00 -0.60 0.00 0.00 32.23 31.47 1afp h LYS 22 CO 0.00 0.85 0.25 -2.37 -3.45 0.00 0.00 179.45 174.73 1afp n THR 23 N -4.40 0.00 0.00 1.00 5.66 -1.26 -5.03 114.28 110.25 1afp n THR 23 Ca 0.10 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 1afp n THR 23 Cb 0.04 -1.70 0.00 0.00 -1.55 0.00 0.00 70.33 67.11 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 -3.52 0.00 -1.77 1.79 0.00 -1.26 -4.45 120.51 111.29 1afp n ALA 24 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1afp n ALA 24 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 -5.70 -3.29 0.00 5.41 -1.20 -4.93 119.36 109.65 1afp n ILE 25 Ca 0.00 2.62 -0.07 0.00 1.00 0.00 0.00 62.75 66.30 1afp n ILE 25 Cb 0.00 -3.52 -0.06 0.00 -0.71 0.00 0.00 39.64 35.35 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 5.37 0.00 -3.01 0.00 5.02 -1.26 -1.94 118.16 122.34 1afp n LYS 27 Ca -0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1afp n LYS 27 Cb 0.50 -0.89 -0.05 0.00 -0.02 0.00 0.00 35.03 34.57 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 4.99 0.51 0.00 0.00 4.11 -1.26 -4.81 117.16 120.70 1afp n TYR 29 Ca 0.01 -0.64 0.00 0.00 -0.00 0.00 0.00 57.90 57.27 1afp n TYR 29 Cb 0.49 -0.12 0.00 0.00 -0.00 0.00 0.00 39.34 39.72 1afp n TYR 29 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1afp n VAL 30 N -0.03 0.00 -3.09 -3.48 0.31 -1.26 -5.01 118.33 105.77 1afp n VAL 30 Ca 0.13 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 64.01 1afp n VAL 30 Cb 0.55 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.43 1afp n VAL 30 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1afp s LYS 31 N 1.46 3.12 0.40 5.55 2.20 -1.26 -5.02 119.74 126.19 1afp s LYS 31 Ca 0.00 -1.38 -0.16 0.00 -0.36 0.00 0.00 55.97 54.07 1afp s LYS 31 Cb 0.00 -4.32 -0.13 0.00 -1.51 0.00 0.00 37.83 31.87 1afp s LYS 31 CO 0.00 -1.57 -0.06 1.63 -0.36 0.00 0.00 175.35 174.99 1afp n LYS 32 N 6.33 0.00 -1.81 4.03 4.01 -1.26 -4.63 118.16 124.83 1afp n LYS 32 Ca -0.05 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.34 1afp n LYS 32 Cb 0.43 -0.83 -0.00 0.00 -0.51 0.00 0.00 35.03 34.12 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afp h PRO 34 N 3.19 0.25 -1.78 0.00 0.13 -1.89 -3.37 132.00 128.53 1afp h PRO 34 Ca -0.50 -0.24 0.03 0.00 -0.87 0.00 0.00 66.00 64.41 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 0.66 0.94 0.27 -0.98 -0.23 0.00 0.00 178.00 178.65 1afp s ARG 35 N -3.31 0.63 0.01 0.86 1.70 -1.26 -4.80 118.95 112.77 1afp s ARG 35 Ca -0.15 0.84 -0.32 0.00 -0.47 0.00 0.00 55.73 55.63 1afp s ARG 35 Cb 0.02 0.26 -0.16 0.00 -0.57 0.00 0.00 34.95 34.50 1afp s ARG 35 CO 0.76 -0.09 0.84 -3.47 -1.08 0.00 0.00 175.30 172.27 1afp n ASP 36 N 2.94 -0.05 0.00 -2.89 2.03 -1.26 0.14 116.55 117.46 1afp n ASP 36 Ca -0.15 0.93 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1afp n ASP 36 Cb 0.56 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 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 1.23 2.85 3.64 0.27 0.00 -0.70 -4.98 105.19 107.49 1afp n GLY 37 Ca 0.16 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.63 -2.31 -1.75 4.61 0.00 0.12 -4.28 120.51 116.27 1afp n ALA 38 Ca 0.00 0.54 -0.35 0.00 0.00 0.00 0.00 53.44 53.63 1afp n ALA 38 Cb 0.00 -1.86 0.01 0.00 0.00 0.00 0.00 19.45 17.60 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 1.68 3.25 0.26 0.00 2.20 -1.26 0.18 119.74 126.06 1afp s LYS 39 Ca 0.98 1.64 -0.02 0.00 -0.36 0.00 0.00 55.97 58.21 1afp s LYS 39 Cb -1.38 -1.99 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1afp s LYS 39 CO 0.70 -0.94 0.39 0.00 -0.36 0.00 0.00 175.35 175.14 1afp s GLU 41 N -2.54 0.40 -0.29 0.00 1.03 0.62 -2.29 118.70 115.63 1afp s GLU 41 Ca 0.21 1.07 -0.19 0.00 0.03 0.00 0.00 54.97 56.09 1afp s GLU 41 Cb -0.01 0.34 -0.02 0.00 -0.80 0.00 0.00 34.13 33.64 1afp s GLU 41 CO 0.15 -0.22 0.56 0.12 -1.33 0.00 0.00 175.26 174.54 1afp s PHE 42 N 2.36 3.24 -0.05 4.83 2.19 -1.21 -2.14 117.98 127.19 1afp s PHE 42 Ca -0.04 0.58 -0.30 0.00 0.33 0.00 0.00 56.93 57.49 1afp s PHE 42 Cb -0.11 -2.85 -0.03 0.00 -1.31 0.00 0.00 43.02 38.72 1afp s PHE 42 CO -0.14 -0.38 1.17 -0.51 1.83 0.00 0.00 175.22 177.19 1afp s ASP 43 N 1.60 7.08 0.00 6.13 1.11 -1.26 -1.02 116.67 130.31 1afp s ASP 43 Ca 0.23 1.79 0.23 0.00 0.18 0.00 0.00 52.55 54.98 1afp s ASP 43 Cb -0.15 -2.56 1.37 0.00 1.07 0.00 0.00 42.92 42.65 1afp s ASP 43 CO 0.10 -0.55 1.79 -1.20 1.18 0.00 0.00 175.17 176.49 1afp n SER 44 N 5.07 0.00 -0.06 0.27 7.64 -1.23 0.19 113.62 125.50 1afp n SER 44 Ca 0.10 -0.96 -0.20 0.00 1.01 0.00 0.00 58.87 58.82 1afp n SER 44 Cb 0.47 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.54 1afp n SER 44 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1afp n TYR 45 N -0.93 0.68 -0.02 1.43 4.01 -1.26 -4.73 117.16 116.34 1afp n TYR 45 Ca 0.17 0.15 -0.03 0.00 -0.16 0.00 0.00 57.90 58.04 1afp n TYR 45 Cb 0.08 -1.09 -0.02 0.00 -0.31 0.00 0.00 39.34 38.00 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 -3.46 0.09 -1.21 -0.72 4.76 -1.16 -5.08 118.16 111.38 1afp n LYS 46 Ca -0.39 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.08 1afp n LYS 46 Cb 1.00 -1.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 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 3.30 0.64 0.00 0.72 0.00 0.51 -5.00 105.19 105.36 1afp n GLY 47 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1afp n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1afp n LYS 48 N -1.10 0.00 0.00 1.61 4.76 -1.26 -4.88 118.16 117.29 1afp n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1afp n LYS 48 Cb 0.40 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afp n TYR 50 N 0.00 -2.16 1.43 0.00 4.02 -0.91 0.23 117.16 119.77 1afp n TYR 50 Ca 0.00 0.90 0.14 0.00 -0.01 0.00 0.00 57.90 58.93 1afp n TYR 50 Cb 0.00 -1.85 0.47 0.00 -0.02 0.00 0.00 39.34 37.93 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85