#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 4.01 -0.29 0.00 2.01 -1.26 -4.29 115.64 115.82 1afp s THR 2 Ca 0.00 1.29 -0.22 0.00 0.31 0.00 0.00 61.69 63.07 1afp s THR 2 Cb 0.00 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1afp s THR 2 CO 0.00 -0.07 0.71 -0.31 -0.69 0.00 0.00 174.62 174.27 1afp s TYR 3 N 3.11 3.23 0.46 4.92 2.02 -0.75 -4.74 117.35 125.60 1afp s TYR 3 Ca 0.60 0.77 -0.04 0.00 -0.37 0.00 0.00 57.07 58.04 1afp s TYR 3 Cb -0.27 -3.06 -0.03 0.00 -0.40 0.00 0.00 41.96 38.20 1afp s TYR 3 CO 0.21 -0.48 0.75 -0.80 -1.57 0.00 0.00 175.55 173.66 1afp s ASN 4 N 1.57 6.21 0.00 2.29 0.02 -1.26 0.29 114.94 124.06 1afp s ASN 4 Ca 0.29 0.80 0.00 0.00 -1.02 0.00 0.00 52.86 52.94 1afp s ASN 4 Cb -0.15 -2.15 0.00 0.00 0.02 0.00 0.00 41.25 38.98 1afp s ASN 4 CO 0.11 -0.57 0.00 0.61 0.02 0.00 0.00 177.10 177.27 1afp n GLY 5 N -2.19 1.23 3.32 0.66 0.00 0.13 -3.75 105.19 104.58 1afp n GLY 5 Ca -0.00 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 4.59 0.74 0.17 1.61 1.02 0.50 -2.68 119.74 125.69 1afp s LYS 6 Ca 0.00 0.05 0.09 0.00 0.02 0.00 0.00 55.97 56.13 1afp s LYS 6 Cb 0.00 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 1afp s LYS 6 CO 0.00 -0.20 -0.20 0.00 -0.92 0.00 0.00 175.35 174.03 1afp s TYR 8 N -1.89 2.77 0.12 0.00 2.02 -1.07 -2.31 117.35 116.99 1afp s TYR 8 Ca 0.17 -1.21 -0.30 0.00 -0.37 0.00 0.00 57.07 55.36 1afp s TYR 8 Cb -0.07 -1.90 -0.10 0.00 -0.40 0.00 0.00 41.96 39.49 1afp s TYR 8 CO 0.08 -0.57 1.50 1.57 -1.57 0.00 0.00 175.55 176.56 1afp h LYS 9 N 7.49 -0.38 0.00 -0.62 5.09 -1.83 10.07 116.57 136.39 1afp h LYS 9 Ca -0.36 0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.41 1afp h LYS 9 Cb 1.18 0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.60 1afp h LYS 9 CO 0.58 -0.26 0.00 1.17 -2.09 0.00 0.00 179.45 178.86 1afp n LYS 10 N -5.15 0.00 0.10 0.07 3.00 -1.26 0.26 118.16 115.17 1afp n LYS 10 Ca -0.04 0.64 0.08 0.00 -0.00 0.00 0.00 58.31 58.99 1afp n LYS 10 Cb 0.32 -1.26 0.40 0.00 0.00 0.00 0.00 35.03 34.49 1afp n LYS 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1afp n ASP 11 N -1.86 0.40 -3.83 3.14 8.00 -1.06 -4.84 116.55 116.50 1afp n ASP 11 Ca 0.00 0.66 -0.26 0.00 0.71 0.00 0.00 54.79 55.90 1afp n ASP 11 Cb 0.00 -0.72 0.01 0.00 -0.02 0.00 0.00 41.12 40.39 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 -2.01 -2.51 -3.95 -2.24 5.15 3.18 -4.77 115.26 108.11 1afp n ASN 12 Ca 0.00 -0.75 -0.12 0.00 -0.60 0.00 0.00 54.58 53.11 1afp n ASN 12 Cb 0.07 -0.94 -0.13 0.00 -0.53 0.00 0.00 39.78 38.26 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 -3.84 0.17 -0.89 -1.44 -5.25 -1.13 -0.24 121.20 108.58 1afp s ILE 13 Ca 0.24 -0.52 -0.24 0.00 -0.99 0.00 0.00 60.65 59.15 1afp s ILE 13 Cb -0.14 -0.23 0.06 0.00 2.95 0.00 0.00 42.46 45.10 1afp s ILE 13 CO 0.58 -0.23 1.30 0.00 -1.79 0.00 0.00 174.94 174.80 1afp s LYS 15 N 4.79 3.33 0.37 0.00 2.36 0.35 -0.69 119.74 130.25 1afp s LYS 15 Ca 0.38 -0.28 -0.07 0.00 -2.55 0.00 0.00 55.97 53.45 1afp s LYS 15 Cb -0.05 -4.00 0.03 0.00 -1.05 0.00 0.00 37.83 32.76 1afp s LYS 15 CO -0.00 -1.24 0.61 2.48 1.55 0.00 0.00 175.35 178.74 1afp n TYR 16 N 6.85 -1.83 0.00 4.03 4.11 -1.26 0.19 117.16 129.25 1afp n TYR 16 Ca 0.01 -2.12 0.00 0.00 -0.00 0.00 0.00 57.90 55.78 1afp n TYR 16 Cb 0.48 0.70 0.00 0.00 -0.00 0.00 0.00 39.34 40.52 1afp n TYR 16 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1afp n LYS 17 N -0.55 0.00 0.00 -3.48 4.76 -1.25 -3.99 118.16 113.65 1afp n LYS 17 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1afp n LYS 17 Cb 0.58 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 1afp n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afp n ALA 18 N -3.00 0.00 0.00 7.82 0.00 -1.26 -4.07 120.51 120.00 1afp n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1afp n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.47 0.00 7.27 -1.26 -3.34 117.38 119.59 1afp n GLN 19 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.16 1afp n GLN 19 Cb 0.00 0.00 0.31 0.00 2.41 0.00 0.00 30.24 32.96 1afp n GLN 19 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1afp n SER 20 N 1.44 4.19 -0.10 1.69 3.41 -1.26 -4.91 113.62 118.09 1afp n SER 20 Ca 0.00 -2.28 -0.01 0.00 -0.26 0.00 0.00 58.87 56.32 1afp n SER 20 Cb 0.00 -0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 63.45 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 1.08 0.21 0.00 5.00 0.00 -1.21 -4.89 105.19 105.38 1afp n GLY 21 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.08 0.00 -0.46 1.61 4.81 -1.26 -4.77 118.16 118.17 1afp n LYS 22 Ca -0.01 0.16 -0.23 0.00 -0.87 0.00 0.00 58.31 57.36 1afp n LYS 22 Cb 0.42 -1.12 0.19 0.00 0.02 0.00 0.00 35.03 34.54 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 -0.91 0.00 0.00 3.15 5.66 -1.26 -4.97 114.28 115.95 1afp n THR 23 Ca 0.00 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1afp n THR 23 Cb 0.00 -0.65 0.00 0.00 -1.55 0.00 0.00 70.33 68.13 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 -4.80 0.00 -0.70 1.79 0.00 -1.26 -4.58 120.51 110.97 1afp n ALA 24 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1afp n ALA 24 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.88 -3.27 0.00 5.41 -0.99 -4.91 119.36 112.73 1afp n ILE 25 Ca 0.00 1.05 0.02 0.00 1.00 0.00 0.00 62.75 64.81 1afp n ILE 25 Cb 0.00 -1.53 -0.02 0.00 -0.71 0.00 0.00 39.64 37.37 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 5.43 0.00 -2.91 0.00 5.02 -1.26 0.24 118.16 124.67 1afp n LYS 27 Ca -0.03 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.82 1afp n LYS 27 Cb 0.51 -0.85 -0.03 0.00 -0.02 0.00 0.00 35.03 34.64 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 6.64 2.75 0.00 0.00 0.18 -1.26 -4.18 117.16 121.29 1afp n TYR 29 Ca 0.25 0.08 0.00 0.00 1.88 0.00 0.00 57.90 60.11 1afp n TYR 29 Cb 0.49 -2.66 0.00 0.00 -0.38 0.00 0.00 39.34 36.79 1afp n TYR 29 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1afp n VAL 30 N 3.64 0.00 -0.94 -3.48 0.31 -1.26 -4.75 118.33 111.86 1afp n VAL 30 Ca 0.15 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.12 1afp n VAL 30 Cb 0.35 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.34 1afp n VAL 30 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1afp n LYS 31 N 0.00 -0.21 -4.00 5.55 5.02 -1.26 -5.00 118.16 118.26 1afp n LYS 31 Ca 0.00 -0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1afp n LYS 31 Cb 0.00 -1.19 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 1afp n LYS 31 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1afp s LYS 32 N -2.37 0.36 0.26 1.97 2.20 -1.26 -4.76 119.74 116.13 1afp s LYS 32 Ca 0.43 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.10 1afp s LYS 32 Cb -0.08 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.18 1afp s LYS 32 CO 0.74 -0.03 0.97 0.00 -0.36 0.00 0.00 175.35 176.66 1afp h PRO 34 N 3.93 0.43 -1.62 0.00 0.13 -1.90 -3.37 132.00 129.59 1afp h PRO 34 Ca -0.46 -0.42 0.06 0.00 -0.87 0.00 0.00 66.00 64.31 1afp h PRO 34 Cb 1.20 0.11 -0.25 0.00 0.13 0.00 0.00 31.00 32.19 1afp h PRO 34 CO 0.67 1.07 0.45 -0.98 -0.23 0.00 0.00 178.00 178.98 1afp s ARG 35 N -3.36 0.56 0.17 0.86 3.03 -1.26 -4.83 118.95 114.12 1afp s ARG 35 Ca -0.13 0.50 -0.25 0.00 2.03 0.00 0.00 55.73 57.88 1afp s ARG 35 Cb 0.04 0.27 -0.15 0.00 -1.03 0.00 0.00 34.95 34.08 1afp s ARG 35 CO 0.82 -0.10 0.47 -0.40 -1.13 0.00 0.00 175.30 174.96 1afp n ASP 36 N 1.84 -1.09 0.00 -2.89 5.68 -1.26 -0.44 116.55 118.39 1afp n ASP 36 Ca -0.12 1.00 0.00 0.00 -0.50 0.00 0.00 54.79 55.17 1afp n ASP 36 Cb 0.56 -0.84 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1afp n GLY 37 N 1.77 3.12 3.29 6.12 0.00 -0.98 -4.98 105.19 113.53 1afp n GLY 37 Ca 0.16 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.70 -0.64 -1.74 4.61 0.00 0.41 -4.40 120.51 118.05 1afp n ALA 38 Ca 0.00 0.34 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 1afp n ALA 38 Cb 0.00 -1.85 0.06 0.00 0.00 0.00 0.00 19.45 17.65 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 2.77 0.10 0.00 2.36 -1.26 0.19 119.74 127.90 1afp s LYS 39 Ca 1.04 2.10 -0.21 0.00 -2.55 0.00 0.00 55.97 56.35 1afp s LYS 39 Cb -1.40 -1.98 0.05 0.00 -1.05 0.00 0.00 37.83 33.45 1afp s LYS 39 CO 0.70 -1.44 0.50 0.00 1.55 0.00 0.00 175.35 176.67 1afp s GLU 41 N -3.21 0.84 -0.30 0.00 -1.05 -1.21 0.19 118.70 113.96 1afp s GLU 41 Ca -0.01 -0.99 0.01 0.00 -0.15 0.00 0.00 54.97 53.83 1afp s GLU 41 Cb 0.00 -0.83 0.07 0.00 -0.44 0.00 0.00 34.13 32.93 1afp s GLU 41 CO -0.08 0.18 -0.02 0.12 0.95 0.00 0.00 175.26 176.41 1afp s PHE 42 N -1.40 3.37 -0.02 4.83 5.36 0.14 -2.04 117.98 128.21 1afp s PHE 42 Ca -0.01 -2.27 -0.30 0.00 -0.96 0.00 0.00 56.93 53.40 1afp s PHE 42 Cb -0.09 -2.25 -0.06 0.00 -0.34 0.00 0.00 43.02 40.29 1afp s PHE 42 CO 0.02 -0.87 1.52 0.34 -1.46 0.00 0.00 175.22 174.77 1afp s ASP 43 N 1.19 6.76 -0.11 6.13 2.15 -1.23 -1.82 116.67 129.74 1afp s ASP 43 Ca -0.03 2.18 0.10 0.00 0.43 0.00 0.00 52.55 55.22 1afp s ASP 43 Cb -0.20 -2.55 0.47 0.00 -0.30 0.00 0.00 42.92 40.34 1afp s ASP 43 CO -0.04 -0.82 1.27 -1.54 -0.17 0.00 0.00 175.17 173.87 1afp n SER 44 N 6.14 3.48 -0.00 -0.34 3.41 -1.26 -2.41 113.62 122.63 1afp n SER 44 Ca 0.15 -2.41 0.07 0.00 -0.26 0.00 0.00 58.87 56.42 1afp n SER 44 Cb 0.43 -0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.49 0.00 0.04 7.33 4.01 -1.26 -4.79 117.16 122.99 1afp n TYR 45 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1afp n TYR 45 Cb 0.71 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 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 -1.81 0.00 0.00 -0.72 5.02 -1.24 -5.07 118.16 114.34 1afp n LYS 46 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1afp n LYS 46 Cb 0.33 -0.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 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 3.04 1.97 3.83 0.72 0.00 -1.01 -5.13 105.19 108.60 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 -0.22 2.39 -0.36 1.61 1.02 -1.25 -5.04 119.74 117.89 1afp s LYS 48 Ca 0.00 -1.71 0.04 0.00 0.02 0.00 0.00 55.97 54.32 1afp s LYS 48 Cb 0.00 -2.20 0.10 0.00 -0.52 0.00 0.00 37.83 35.21 1afp s LYS 48 CO 0.00 -0.22 0.08 0.00 -0.92 0.00 0.00 175.35 174.29 1afp s TYR 50 N 0.80 2.24 -2.00 0.00 1.51 -0.87 -4.73 117.35 114.31 1afp s TYR 50 Ca 0.11 -0.28 0.29 0.00 -1.01 0.00 0.00 57.07 56.19 1afp s TYR 50 Cb -0.20 -4.31 1.75 0.00 -0.11 0.00 0.00 41.96 39.09 1afp s TYR 50 CO -0.07 -1.55 2.09 0.00 -1.11 0.00 0.00 175.55 174.90