#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 3.43 0.00 0.00 2.01 -1.26 -4.44 115.64 115.38 1afp s THR 2 Ca 0.00 0.87 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1afp s THR 2 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.16 1afp s THR 2 CO 0.00 -0.21 0.00 -1.22 -0.69 0.00 0.00 174.62 172.50 1afp n TYR 3 N -1.26 -1.65 -3.62 4.92 4.01 -0.67 -4.88 117.16 114.01 1afp n TYR 3 Ca 0.11 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.71 1afp n TYR 3 Cb 0.52 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.49 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 -0.96 -0.38 0.00 7.72 0.01 -1.26 -3.21 114.94 116.86 1afp s ASN 4 Ca 0.00 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1afp s ASN 4 Cb 0.00 0.46 0.00 0.00 0.41 0.00 0.00 41.25 42.12 1afp s ASN 4 CO 0.00 -0.67 0.00 0.61 -1.51 0.00 0.00 177.10 175.53 1afp n GLY 5 N 0.54 0.56 3.22 0.66 0.00 -0.57 -4.18 105.19 105.41 1afp n GLY 5 Ca -0.19 0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 4.37 0.92 0.10 1.61 1.02 0.47 -2.56 119.74 125.66 1afp s LYS 6 Ca 0.00 -1.15 0.01 0.00 0.02 0.00 0.00 55.97 54.86 1afp s LYS 6 Cb 0.00 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.58 1afp s LYS 6 CO 0.00 -0.29 -0.05 0.00 -0.92 0.00 0.00 175.35 174.09 1afp s TYR 8 N -3.69 2.44 0.00 0.00 2.02 -1.11 -1.34 117.35 115.66 1afp s TYR 8 Ca 0.13 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1afp s TYR 8 Cb 0.06 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.25 1afp s TYR 8 CO -0.04 0.57 0.02 1.63 -1.57 0.00 0.00 175.55 176.16 1afp n LYS 9 N -0.82 0.00 -0.00 -0.62 5.02 -1.26 -1.69 118.16 118.78 1afp n LYS 9 Ca -0.05 0.10 -0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1afp n LYS 9 Cb 0.63 -0.62 -0.00 0.00 -0.02 0.00 0.00 35.03 35.02 1afp n LYS 9 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1afp h LYS 10 N 0.00 -0.00 -0.37 1.97 3.64 -1.99 1.80 116.57 121.62 1afp h LYS 10 Ca 0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1afp h LYS 10 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1afp h LYS 10 CO 0.00 -0.00 0.39 -0.44 -2.27 0.00 0.00 179.45 177.13 1afp h ASP 11 N -0.00 0.00 -7.01 4.20 3.32 -2.01 -3.45 116.42 111.47 1afp h ASP 11 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1afp h ASP 11 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1afp h ASP 11 CO -0.01 0.00 -0.95 -3.20 -1.72 0.00 0.00 179.24 173.36 1afp n ASN 12 N -3.78 -3.71 -3.83 6.45 4.05 0.61 -4.83 115.26 110.23 1afp n ASN 12 Ca 0.06 -1.24 -0.25 0.00 0.45 0.00 0.00 54.58 53.61 1afp n ASN 12 Cb 0.55 -1.48 -0.07 0.00 1.23 0.00 0.00 39.78 40.01 1afp n ASN 12 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1afp n ILE 13 N -4.84 0.00 -3.91 -1.44 -6.64 -1.20 -1.47 119.36 99.86 1afp n ILE 13 Ca -0.11 -2.45 -0.30 0.00 -1.77 0.00 0.00 62.75 58.12 1afp n ILE 13 Cb 0.53 0.94 -0.16 0.00 -1.44 0.00 0.00 39.64 39.51 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 1.41 4.08 0.02 0.00 1.02 0.34 0.16 119.74 126.77 1afp s LYS 15 Ca -0.02 0.22 -0.27 0.00 0.02 0.00 0.00 55.97 55.91 1afp s LYS 15 Cb -0.19 -3.34 0.09 0.00 -0.52 0.00 0.00 37.83 33.87 1afp s LYS 15 CO -0.09 0.41 0.78 1.52 -0.92 0.00 0.00 175.35 177.06 1afp s TYR 16 N -0.12 -0.46 -0.69 3.18 1.13 -1.26 -0.40 117.35 118.74 1afp s TYR 16 Ca 0.20 0.45 -0.19 0.00 -1.41 0.00 0.00 57.07 56.12 1afp s TYR 16 Cb -0.14 0.51 0.11 0.00 -1.10 0.00 0.00 41.96 41.34 1afp s TYR 16 CO 0.08 -0.63 0.85 0.21 -2.51 0.00 0.00 175.55 173.55 1afp s LYS 17 N -2.75 3.21 1.00 -3.49 2.36 -1.26 -4.19 119.74 114.62 1afp s LYS 17 Ca 0.00 -1.38 -0.19 0.00 -2.55 0.00 0.00 55.97 51.86 1afp s LYS 17 Cb -0.01 -4.39 -0.13 0.00 -1.05 0.00 0.00 37.83 32.25 1afp s LYS 17 CO -0.06 -1.63 -0.79 0.00 1.55 0.00 0.00 175.35 174.42 1afp n ALA 18 N 6.52 -5.21 -0.27 3.13 0.00 -1.26 -4.69 120.51 118.74 1afp n ALA 18 Ca -0.00 -0.83 0.04 0.00 0.00 0.00 0.00 53.44 52.65 1afp n ALA 18 Cb 0.45 -1.16 0.27 0.00 0.00 0.00 0.00 19.45 19.00 1afp n ALA 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1afp h GLN 19 N -1.10 0.94 -0.01 0.00 3.07 -1.96 -1.54 115.11 114.50 1afp h GLN 19 Ca -0.43 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1afp h GLN 19 Cb 1.32 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1afp h GLN 19 CO 0.24 0.62 -0.26 -1.13 0.09 0.00 0.00 178.83 178.40 1afp n SER 20 N -4.48 1.87 -0.02 0.06 3.41 -1.26 -4.95 113.62 108.25 1afp n SER 20 Ca 0.12 -1.43 -0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1afp n SER 20 Cb 0.19 0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 1.12 0.46 0.15 5.00 0.00 -0.58 -4.90 105.19 106.44 1afp n GLY 21 Ca 0.08 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 0.79 0.46 0.00 1.61 3.64 -1.93 -3.45 116.57 117.70 1afp h LYS 22 Ca -0.01 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1afp h LYS 22 Cb 0.10 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1afp h LYS 22 CO 0.01 1.02 0.01 -2.37 -2.27 0.00 0.00 179.45 175.85 1afp n THR 23 N -4.28 0.00 0.00 1.00 5.66 -1.26 -5.01 114.28 110.39 1afp n THR 23 Ca -0.08 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1afp n THR 23 Cb 0.59 -1.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 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 -3.13 0.00 -1.65 1.79 0.00 -1.26 -4.53 120.51 111.73 1afp n ALA 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1afp n ALA 24 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -4.85 -3.32 0.00 5.41 -1.22 -4.95 119.36 110.43 1afp n ILE 25 Ca 0.00 2.25 0.02 0.00 1.00 0.00 0.00 62.75 66.02 1afp n ILE 25 Cb 0.00 -3.21 -0.02 0.00 -0.71 0.00 0.00 39.64 35.70 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 5.42 0.00 -3.58 0.00 5.02 -1.26 0.19 118.16 123.95 1afp n LYS 27 Ca -0.05 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.87 1afp n LYS 27 Cb 0.51 -0.76 -0.06 0.00 -0.02 0.00 0.00 35.03 34.69 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp s TYR 29 N -0.38 2.73 0.22 0.00 5.04 -1.26 -4.87 117.35 118.84 1afp s TYR 29 Ca 0.19 -0.86 0.00 0.00 -2.44 0.00 0.00 57.07 53.96 1afp s TYR 29 Cb -0.14 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.35 1afp s TYR 29 CO 0.08 -0.34 0.00 1.33 -1.34 0.00 0.00 175.55 175.28 1afp n VAL 30 N 3.65 -1.80 -3.67 3.14 0.24 -1.26 -4.56 118.33 114.07 1afp n VAL 30 Ca -0.19 0.74 -0.28 0.00 -2.04 0.00 0.00 64.34 62.57 1afp n VAL 30 Cb 0.53 -1.11 0.01 0.00 -1.47 0.00 0.00 33.84 31.79 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 -1.54 -1.58 -0.95 7.34 4.81 -1.26 -4.76 118.16 120.22 1afp n LYS 31 Ca 0.00 0.88 -0.36 0.00 -0.87 0.00 0.00 58.31 57.96 1afp n LYS 31 Cb 0.11 -2.07 0.06 0.00 0.02 0.00 0.00 35.03 33.15 1afp n LYS 31 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1afp n LYS 32 N -1.94 -0.14 -1.74 1.64 4.81 -1.26 -4.76 118.16 114.77 1afp n LYS 32 Ca -0.26 -0.04 -0.42 0.00 -0.87 0.00 0.00 58.31 56.73 1afp n LYS 32 Cb 0.67 -1.16 -0.01 0.00 0.02 0.00 0.00 35.03 34.55 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 3.58 0.68 -1.44 0.00 0.13 -1.88 -3.40 132.00 129.67 1afp h PRO 34 Ca -0.48 -0.67 0.10 0.00 -0.87 0.00 0.00 66.00 64.09 1afp h PRO 34 Cb 1.25 0.17 -0.28 0.00 0.13 0.00 0.00 31.00 32.27 1afp h PRO 34 CO 0.70 1.26 0.58 -0.98 -0.23 0.00 0.00 178.00 179.33 1afp s ARG 35 N -3.45 0.38 0.10 0.86 1.70 -1.26 -4.91 118.95 112.36 1afp s ARG 35 Ca -0.11 0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 55.28 1afp s ARG 35 Cb 0.07 0.18 -0.16 0.00 -0.57 0.00 0.00 34.95 34.47 1afp s ARG 35 CO 0.90 -0.05 0.69 -3.47 -1.08 0.00 0.00 175.30 172.29 1afp n ASP 36 N 1.97 -0.62 0.00 -2.89 2.03 -1.26 -0.38 116.55 115.40 1afp n ASP 36 Ca -0.12 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.22 1afp n ASP 36 Cb 0.56 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 1.59 3.07 3.64 0.27 0.00 -0.45 -4.98 105.19 108.33 1afp n GLY 37 Ca 0.17 0.00 -0.65 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 -0.60 -1.67 -1.77 4.61 0.00 0.49 -4.28 120.51 117.29 1afp n ALA 38 Ca 0.00 0.50 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 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 2.50 3.25 0.19 0.00 2.36 -1.26 0.17 119.74 126.95 1afp s LYS 39 Ca 1.01 1.70 -0.03 0.00 -2.55 0.00 0.00 55.97 56.10 1afp s LYS 39 Cb -1.44 -2.00 0.01 0.00 -1.05 0.00 0.00 37.83 33.35 1afp s LYS 39 CO 0.77 -0.95 0.30 0.00 1.55 0.00 0.00 175.35 177.01 1afp s GLU 41 N -2.33 0.86 -0.40 0.00 1.03 -0.81 -1.52 118.70 115.53 1afp s GLU 41 Ca 0.14 0.16 -0.11 0.00 0.03 0.00 0.00 54.97 55.18 1afp s GLU 41 Cb -0.01 0.40 0.05 0.00 -0.80 0.00 0.00 34.13 33.77 1afp s GLU 41 CO 0.10 -0.24 0.25 0.12 -1.33 0.00 0.00 175.26 174.16 1afp s PHE 42 N -1.04 3.27 0.23 4.83 2.19 -1.20 -1.18 117.98 125.07 1afp s PHE 42 Ca -0.10 -1.09 -0.30 0.00 0.33 0.00 0.00 56.93 55.77 1afp s PHE 42 Cb -0.02 -2.68 -0.09 0.00 -1.31 0.00 0.00 43.02 38.92 1afp s PHE 42 CO 0.07 -0.72 1.17 0.34 1.83 0.00 0.00 175.22 177.90 1afp s ASP 43 N 1.85 7.14 -0.02 6.13 -1.08 -1.26 -1.67 116.67 127.75 1afp s ASP 43 Ca 0.03 2.27 0.20 0.00 -0.52 0.00 0.00 52.55 54.53 1afp s ASP 43 Cb -0.21 -2.62 -0.30 0.00 -1.46 0.00 0.00 42.92 38.34 1afp s ASP 43 CO 0.06 -0.29 0.52 -1.54 0.52 0.00 0.00 175.17 174.43 1afp n SER 44 N 1.90 0.46 0.23 -0.34 3.41 -1.26 -2.41 113.62 115.60 1afp n SER 44 Ca 0.02 -0.17 0.16 0.00 -0.26 0.00 0.00 58.87 58.62 1afp n SER 44 Cb 0.45 1.76 0.78 0.00 -0.26 0.00 0.00 64.21 66.94 1afp n SER 44 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1afp h TYR 45 N 0.00 0.00 0.00 7.33 -0.00 -1.93 -3.39 116.97 118.98 1afp h TYR 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1afp h TYR 45 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.58 1afp h TYR 45 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 1afp n LYS 46 N -2.65 0.00 0.00 0.10 5.02 -1.26 -5.09 118.16 114.29 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 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 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 0.56 0.92 0.01 0.72 0.00 -1.01 -5.03 105.19 101.36 1afp n GLY 47 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.10 -2.92 1.61 4.01 -1.26 -5.00 118.16 114.70 1afp n LYS 48 Ca 0.00 -0.02 -0.09 0.00 -0.51 0.00 0.00 58.31 57.69 1afp n LYS 48 Cb 0.00 -1.51 0.01 0.00 -0.51 0.00 0.00 35.03 33.02 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afp s TYR 50 N -2.05 1.69 -2.00 0.00 1.51 -0.33 -4.28 117.35 111.89 1afp s TYR 50 Ca 0.17 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 1afp s TYR 50 Cb -0.04 -4.06 0.07 0.00 -0.11 0.00 0.00 41.96 37.82 1afp s TYR 50 CO 0.73 -4.60 0.56 0.00 -1.11 0.00 0.00 175.55 171.13