#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 4.31 -0.18 0.00 2.01 -1.26 -4.16 115.64 116.37 1afp s THR 2 Ca 0.00 1.63 -0.19 0.00 0.31 0.00 0.00 61.69 63.43 1afp s THR 2 Cb 0.00 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1afp s THR 2 CO 0.00 -0.01 0.56 -0.31 -0.69 0.00 0.00 174.62 174.17 1afp s TYR 3 N 2.29 3.41 0.59 4.92 1.51 -0.64 -4.79 117.35 124.63 1afp s TYR 3 Ca 0.55 0.87 -0.08 0.00 -1.01 0.00 0.00 57.07 57.40 1afp s TYR 3 Cb -0.24 -2.70 -0.01 0.00 -0.11 0.00 0.00 41.96 38.90 1afp s TYR 3 CO 0.21 -0.07 0.94 -0.80 -1.11 0.00 0.00 175.55 174.71 1afp s ASN 4 N 1.06 5.88 0.00 2.29 0.02 -1.26 0.44 114.94 123.37 1afp s ASN 4 Ca 0.27 1.00 0.00 0.00 -1.02 0.00 0.00 52.86 53.11 1afp s ASN 4 Cb -0.16 -2.06 0.00 0.00 0.02 0.00 0.00 41.25 39.05 1afp s ASN 4 CO 0.10 -0.94 0.00 0.61 0.02 0.00 0.00 177.10 176.89 1afp n GLY 5 N -2.61 -0.87 3.21 0.66 0.00 0.10 -3.66 105.19 102.02 1afp n GLY 5 Ca 0.04 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.55 1.19 0.07 1.61 3.01 0.52 -1.63 119.74 123.97 1afp s LYS 6 Ca 0.00 -1.60 0.03 0.00 -1.01 0.00 0.00 55.97 53.38 1afp s LYS 6 Cb 0.00 0.27 -0.03 0.00 -1.01 0.00 0.00 37.83 37.06 1afp s LYS 6 CO 0.00 -0.39 -0.08 0.00 0.51 0.00 0.00 175.35 175.39 1afp s TYR 8 N -2.26 2.75 0.00 0.00 2.02 -1.07 -1.73 117.35 117.07 1afp s TYR 8 Ca -0.00 -0.50 -0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1afp s TYR 8 Cb -0.04 -1.76 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 1afp s TYR 8 CO -0.01 -0.08 1.04 0.87 -1.57 0.00 0.00 175.55 175.80 1afp h LYS 9 N 6.21 -0.09 0.00 -0.62 1.57 -1.81 1.68 116.57 123.51 1afp h LYS 9 Ca -0.33 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1afp h LYS 9 Cb 1.19 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1afp h LYS 9 CO 0.53 -0.06 0.00 1.17 -0.57 0.00 0.00 179.45 180.52 1afp n LYS 10 N -2.28 0.00 0.31 3.15 4.81 -1.26 0.17 118.16 123.06 1afp n LYS 10 Ca -0.01 0.75 0.16 0.00 -0.87 0.00 0.00 58.31 58.34 1afp n LYS 10 Cb 0.04 -1.28 0.85 0.00 0.02 0.00 0.00 35.03 34.65 1afp n LYS 10 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1afp h ASP 11 N 0.00 0.00 -6.81 3.14 1.82 -2.00 -3.45 116.42 109.12 1afp h ASP 11 Ca 0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.10 1afp h ASP 11 Cb 0.00 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.01 1afp h ASP 11 CO 0.00 0.00 -1.03 -3.20 -1.61 0.00 0.00 179.24 173.40 1afp n ASN 12 N -3.00 -4.54 -2.04 2.28 2.85 0.57 -4.81 115.26 106.57 1afp n ASN 12 Ca -0.01 -1.14 -0.09 0.00 -0.11 0.00 0.00 54.58 53.23 1afp n ASN 12 Cb 0.37 -1.80 -0.03 0.00 1.24 0.00 0.00 39.78 39.56 1afp n ASN 12 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1afp n ILE 13 N -4.02 0.00 -3.94 -1.44 -6.64 -0.89 -2.31 119.36 100.12 1afp n ILE 13 Ca -0.19 -1.12 -0.31 0.00 -1.77 0.00 0.00 62.75 59.36 1afp n ILE 13 Cb 0.61 0.57 -0.15 0.00 -1.44 0.00 0.00 39.64 39.23 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 1.18 4.27 0.34 0.00 2.36 0.76 0.11 119.74 128.77 1afp s LYS 15 Ca 0.06 0.34 -0.16 0.00 -2.55 0.00 0.00 55.97 53.65 1afp s LYS 15 Cb -0.19 -3.48 0.04 0.00 -1.05 0.00 0.00 37.83 33.15 1afp s LYS 15 CO -0.11 0.07 0.72 1.52 1.55 0.00 0.00 175.35 179.10 1afp s TYR 16 N 0.92 0.14 -0.01 4.03 1.13 -1.26 0.19 117.35 122.50 1afp s TYR 16 Ca 0.23 -0.69 -0.11 0.00 -1.41 0.00 0.00 57.07 55.09 1afp s TYR 16 Cb -0.15 0.67 -0.05 0.00 -1.10 0.00 0.00 41.96 41.33 1afp s TYR 16 CO 0.09 -1.40 0.32 0.15 -2.51 0.00 0.00 175.55 172.20 1afp s LYS 17 N -2.96 3.72 0.43 -3.49 1.02 -1.24 -4.26 119.74 112.96 1afp s LYS 17 Ca 0.16 0.15 -0.01 0.00 0.02 0.00 0.00 55.97 56.30 1afp s LYS 17 Cb -0.05 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1afp s LYS 17 CO 0.11 0.68 0.67 0.00 -0.92 0.00 0.00 175.35 175.89 1afp s ALA 18 N -1.17 3.64 0.57 5.17 0.00 -1.26 -4.76 121.76 123.96 1afp s ALA 18 Ca 0.24 -0.89 0.29 0.00 0.00 0.00 0.00 51.96 51.60 1afp s ALA 18 Cb -0.14 -2.24 1.47 0.00 0.00 0.00 0.00 23.12 22.21 1afp s ALA 18 CO 0.13 -0.29 1.91 0.37 0.00 0.00 0.00 175.76 177.87 1afp h GLN 19 N 0.44 0.00 0.00 0.00 -0.00 -1.97 0.15 115.11 113.72 1afp h GLN 19 Ca -0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.17 1afp h GLN 19 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.70 1afp h GLN 19 CO 0.60 0.00 -0.25 -1.13 0.00 0.00 0.00 178.83 178.05 1afp n SER 20 N -3.88 1.43 -0.20 -0.69 3.41 -1.26 -4.95 113.62 107.48 1afp n SER 20 Ca 0.10 -2.71 -0.03 0.00 -0.26 0.00 0.00 58.87 55.97 1afp n SER 20 Cb 0.71 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.84 0.32 0.06 5.00 0.00 0.52 -4.86 105.19 105.39 1afp n GLY 21 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 0.12 -0.13 -5.98 1.61 3.11 -1.93 -3.43 116.57 109.94 1afp h LYS 22 Ca -0.05 0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 57.59 1afp h LYS 22 Cb 0.90 0.03 0.12 0.00 -1.00 0.00 0.00 32.23 32.28 1afp h LYS 22 CO 0.08 -0.09 -0.26 -2.37 -2.81 0.00 0.00 179.45 174.00 1afp n THR 23 N -2.73 0.00 0.00 1.00 5.66 -1.26 -4.91 114.28 112.04 1afp n THR 23 Ca -0.02 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1afp n THR 23 Cb 0.05 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 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 -4.33 0.00 -1.65 1.79 0.00 -1.26 -4.40 120.51 110.66 1afp n ALA 24 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1afp n ALA 24 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -5.36 -3.55 0.00 5.41 -1.20 -4.93 119.36 109.73 1afp n ILE 25 Ca 0.00 2.42 -0.22 0.00 1.00 0.00 0.00 62.75 65.95 1afp n ILE 25 Cb 0.00 -3.29 -0.15 0.00 -0.71 0.00 0.00 39.64 35.49 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 5.30 0.00 -3.38 0.00 2.85 -1.26 -0.32 118.16 121.35 1afp n LYS 27 Ca -0.06 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.81 1afp n LYS 27 Cb 0.49 -1.08 -0.09 0.00 -0.65 0.00 0.00 35.03 33.71 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 5.16 0.07 0.00 0.00 0.18 -1.26 -4.85 117.16 116.46 1afp n TYR 29 Ca -0.08 -0.18 0.00 0.00 1.88 0.00 0.00 57.90 59.52 1afp n TYR 29 Cb 0.51 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.45 1afp n TYR 29 CO 0.00 0.00 0.00 1.33 -2.08 0.00 0.00 176.86 176.11 1afp n VAL 30 N 0.13 0.00 -1.53 -3.48 0.24 -1.26 -4.95 118.33 107.47 1afp n VAL 30 Ca 0.03 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.15 1afp n VAL 30 Cb 0.19 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.42 1afp n VAL 30 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1afp n LYS 31 N 0.00 0.35 -1.01 7.34 4.01 -1.26 -4.81 118.16 122.77 1afp n LYS 31 Ca 0.00 -0.47 -0.34 0.00 -0.51 0.00 0.00 58.31 56.99 1afp n LYS 31 Cb 0.00 -2.59 0.02 0.00 -0.51 0.00 0.00 35.03 31.95 1afp n LYS 31 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1afp n LYS 32 N 7.54 0.00 -1.94 1.97 0.00 -1.26 -4.59 118.16 119.88 1afp n LYS 32 Ca 0.55 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.45 1afp n LYS 32 Cb 0.31 -0.89 -0.02 0.00 -0.00 0.00 0.00 35.03 34.43 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1afp h PRO 34 N 4.83 0.13 0.00 0.00 0.13 -1.90 -3.40 132.00 131.79 1afp h PRO 34 Ca -0.47 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1afp h PRO 34 Cb 1.22 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1afp h PRO 34 CO 0.77 0.85 0.00 2.89 -0.23 0.00 0.00 178.00 182.28 1afp n ARG 35 N -3.69 0.00 -1.40 0.86 1.85 -1.26 -4.88 116.66 108.14 1afp n ARG 35 Ca -0.02 0.00 -0.54 0.00 -1.00 0.00 0.00 57.85 56.28 1afp n ARG 35 Cb 0.75 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.08 1afp n ARG 35 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1afp n ASP 36 N 0.00 -0.12 0.00 2.89 8.00 -1.24 0.14 116.55 126.22 1afp n ASP 36 Ca 0.00 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1afp n ASP 36 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1afp n GLY 37 N 1.45 3.37 3.69 0.44 0.00 -0.71 -4.96 105.19 108.48 1afp n GLY 37 Ca 0.19 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.85 0.58 -1.74 4.61 0.00 0.12 -4.55 120.51 117.68 1afp n ALA 38 Ca 0.00 0.32 -0.37 0.00 0.00 0.00 0.00 53.44 53.39 1afp n ALA 38 Cb 0.00 -2.41 0.05 0.00 0.00 0.00 0.00 19.45 17.09 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 3.76 2.80 0.18 0.00 2.20 -1.26 0.17 119.74 127.58 1afp s LYS 39 Ca 0.94 2.04 -0.21 0.00 -0.36 0.00 0.00 55.97 58.37 1afp s LYS 39 Cb -0.80 -1.96 0.06 0.00 -1.51 0.00 0.00 37.83 33.62 1afp s LYS 39 CO 0.55 -1.40 0.59 0.00 -0.36 0.00 0.00 175.35 174.72 1afp s GLU 41 N -3.79 0.95 -0.32 0.00 -1.05 -1.25 0.02 118.70 113.25 1afp s GLU 41 Ca 0.03 -0.73 -0.07 0.00 -0.15 0.00 0.00 54.97 54.06 1afp s GLU 41 Cb -0.01 -0.95 0.03 0.00 -0.44 0.00 0.00 34.13 32.75 1afp s GLU 41 CO -0.09 0.24 0.09 0.12 0.95 0.00 0.00 175.26 176.57 1afp s PHE 42 N -0.80 3.20 0.12 4.83 5.36 0.17 -2.13 117.98 128.73 1afp s PHE 42 Ca 0.02 -1.23 -0.31 0.00 -0.96 0.00 0.00 56.93 54.45 1afp s PHE 42 Cb -0.08 -2.27 -0.08 0.00 -0.34 0.00 0.00 43.02 40.26 1afp s PHE 42 CO 0.01 -0.66 1.37 0.34 -1.46 0.00 0.00 175.22 174.82 1afp s ASP 43 N 1.45 6.84 0.06 6.13 -1.08 -1.18 -1.63 116.67 127.26 1afp s ASP 43 Ca 0.00 2.32 0.21 0.00 -0.52 0.00 0.00 52.55 54.56 1afp s ASP 43 Cb -0.18 -2.59 -0.16 0.00 -1.46 0.00 0.00 42.92 38.52 1afp s ASP 43 CO 0.03 -0.63 0.73 -1.54 0.52 0.00 0.00 175.17 174.27 1afp n SER 44 N 3.81 0.49 0.03 -0.34 3.41 -1.26 -0.63 113.62 119.13 1afp n SER 44 Ca 0.11 0.20 0.05 0.00 -0.26 0.00 0.00 58.87 58.96 1afp n SER 44 Cb 0.42 0.98 0.23 0.00 -0.26 0.00 0.00 64.21 65.58 1afp n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afp n TYR 45 N -2.58 0.15 0.08 7.33 4.11 -1.26 -4.13 117.16 120.86 1afp n TYR 45 Ca -0.06 0.07 0.00 0.00 -0.00 0.00 0.00 57.90 57.91 1afp n TYR 45 Cb 0.66 -0.61 0.00 0.00 -0.00 0.00 0.00 39.34 39.39 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 -1.64 0.00 0.00 -3.48 5.02 -1.25 -5.08 118.16 111.72 1afp n LYS 46 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1afp n LYS 46 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 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 0.97 0.89 3.34 0.72 0.00 0.20 -5.09 105.19 106.21 1afp n GLY 47 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.81 -4.40 1.61 5.02 -1.20 -4.96 118.16 115.04 1afp n LYS 48 Ca 0.00 -3.14 -0.34 0.00 -2.02 0.00 0.00 58.31 52.81 1afp n LYS 48 Cb 0.00 0.51 -0.12 0.00 -0.02 0.00 0.00 35.03 35.40 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp n TYR 50 N 3.27 3.21 0.00 0.00 4.02 -0.91 -4.71 117.16 122.04 1afp n TYR 50 Ca -0.17 -3.17 0.00 0.00 -0.01 0.00 0.00 57.90 54.55 1afp n TYR 50 Cb 0.53 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85