#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 -4.45 115.64 115.37 1afp s THR 2 Ca 0.00 0.92 0.00 0.00 0.31 0.00 0.00 61.69 62.92 1afp s THR 2 Cb 0.00 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1afp s THR 2 CO 0.00 0.02 0.00 -1.22 -0.69 0.00 0.00 174.62 172.73 1afp n TYR 3 N 4.91 -2.21 -3.67 4.92 4.01 -0.98 -4.83 117.16 119.31 1afp n TYR 3 Ca 0.13 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.73 1afp n TYR 3 Cb 0.42 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.37 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 -1.00 -0.50 0.00 7.72 0.01 -1.26 -3.44 114.94 116.47 1afp s ASN 4 Ca 0.00 0.77 0.00 0.00 -0.71 0.00 0.00 52.86 52.92 1afp s ASN 4 Cb 0.00 0.79 0.00 0.00 0.41 0.00 0.00 41.25 42.45 1afp s ASN 4 CO 0.00 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 1afp n GLY 5 N 2.01 2.05 3.29 0.66 0.00 -0.06 -4.36 105.19 108.78 1afp n GLY 5 Ca -0.17 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 4.24 1.14 0.03 1.61 1.02 0.63 -2.86 119.74 125.55 1afp s LYS 6 Ca 0.00 -1.33 -0.03 0.00 0.02 0.00 0.00 55.97 54.62 1afp s LYS 6 Cb 0.00 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.62 1afp s LYS 6 CO 0.00 -0.39 0.04 0.00 -0.92 0.00 0.00 175.35 174.08 1afp s TYR 8 N -2.44 2.69 -0.12 0.00 2.02 0.39 -1.56 117.35 118.33 1afp s TYR 8 Ca -0.07 -0.17 -0.25 0.00 -0.37 0.00 0.00 57.07 56.22 1afp s TYR 8 Cb -0.02 -1.60 -0.27 0.00 -0.40 0.00 0.00 41.96 39.66 1afp s TYR 8 CO -0.04 0.21 0.74 1.57 -1.57 0.00 0.00 175.55 176.45 1afp h LYS 9 N 5.17 0.11 -0.93 -0.62 5.09 -1.82 1.67 116.57 125.25 1afp h LYS 9 Ca -0.47 -0.18 0.13 0.00 0.09 0.00 0.00 60.65 60.22 1afp h LYS 9 Cb 1.15 0.07 -0.08 0.00 0.10 0.00 0.00 32.23 33.48 1afp h LYS 9 CO 0.50 1.09 0.59 -0.22 -2.09 0.00 0.00 179.45 179.32 1afp h LYS 10 N -0.76 0.78 -0.01 0.07 3.64 -1.96 0.84 116.57 119.18 1afp h LYS 10 Ca -0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1afp h LYS 10 Cb 1.28 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1afp h LYS 10 CO 0.03 0.52 -0.68 -0.25 -2.27 0.00 0.00 179.45 176.80 1afp n ASP 11 N -4.58 1.36 -4.08 4.20 8.00 -1.24 -4.99 116.55 115.21 1afp n ASP 11 Ca 0.18 -1.18 -0.42 0.00 0.71 0.00 0.00 54.79 54.08 1afp n ASP 11 Cb 0.42 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 42.28 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 -0.80 -3.19 -4.18 -2.24 5.15 0.55 -4.76 115.26 105.79 1afp n ASN 12 Ca 0.06 -1.21 -0.11 0.00 -0.60 0.00 0.00 54.58 52.72 1afp n ASN 12 Cb 0.36 -1.45 -0.10 0.00 -0.53 0.00 0.00 39.78 38.05 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 -3.73 0.55 -0.28 -1.44 -5.25 -0.17 0.29 121.20 111.17 1afp s ILE 13 Ca 0.40 -1.93 -0.01 0.00 -0.99 0.00 0.00 60.65 58.12 1afp s ILE 13 Cb -0.23 -1.86 0.04 0.00 2.95 0.00 0.00 42.46 43.37 1afp s ILE 13 CO 0.90 -0.70 -0.04 0.00 -1.79 0.00 0.00 174.94 173.31 1afp s LYS 15 N 1.25 3.55 0.03 0.00 -2.85 0.24 0.20 119.74 122.16 1afp s LYS 15 Ca -0.04 -0.52 -0.27 0.00 -1.00 0.00 0.00 55.97 54.14 1afp s LYS 15 Cb -0.19 -2.87 0.09 0.00 -2.06 0.00 0.00 37.83 32.80 1afp s LYS 15 CO -0.03 0.31 0.77 1.52 0.10 0.00 0.00 175.35 178.02 1afp s TYR 16 N 0.17 -0.46 -0.47 1.78 1.13 -1.26 -0.27 117.35 117.97 1afp s TYR 16 Ca -0.02 0.42 -0.25 0.00 -1.41 0.00 0.00 57.07 55.82 1afp s TYR 16 Cb -0.14 0.52 0.03 0.00 -1.10 0.00 0.00 41.96 41.27 1afp s TYR 16 CO 0.03 -0.64 0.91 0.21 -2.51 0.00 0.00 175.55 173.55 1afp s LYS 17 N -2.88 3.50 0.95 -3.49 2.36 -1.26 -4.08 119.74 114.84 1afp s LYS 17 Ca 0.01 0.09 -0.12 0.00 -2.55 0.00 0.00 55.97 53.40 1afp s LYS 17 Cb -0.01 -3.94 0.05 0.00 -1.05 0.00 0.00 37.83 32.88 1afp s LYS 17 CO -0.07 -1.23 0.47 0.00 1.55 0.00 0.00 175.35 176.07 1afp n ALA 18 N 7.14 -2.44 0.28 3.13 0.00 -1.26 -4.76 120.51 122.60 1afp n ALA 18 Ca 0.05 -0.61 0.19 0.00 0.00 0.00 0.00 53.44 53.08 1afp n ALA 18 Cb 0.48 -1.83 1.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.60 0.00 0.00 0.00 4.15 -1.95 -1.02 115.11 114.69 1afp h GLN 19 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1afp h GLN 19 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1afp h GLN 19 CO 0.35 0.00 0.00 -1.13 -1.93 0.00 0.00 178.83 176.12 1afp n SER 20 N -2.79 0.90 0.00 -0.69 3.41 -1.26 -4.97 113.62 108.22 1afp n SER 20 Ca -0.02 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 1afp n SER 20 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.22 0.82 0.13 5.00 0.00 -0.39 -4.89 105.19 105.63 1afp n GLY 21 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 2.34 -0.32 0.00 1.61 3.64 -1.93 -3.43 116.57 118.47 1afp h LYS 22 Ca 0.00 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1afp h LYS 22 Cb 0.00 0.07 0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1afp h LYS 22 CO 0.00 -0.21 -0.04 -2.37 -2.27 0.00 0.00 179.45 174.56 1afp n THR 23 N -3.08 0.00 -0.61 1.00 5.66 -1.26 -4.92 114.28 111.07 1afp n THR 23 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1afp n THR 23 Cb 0.13 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 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 -2.94 0.00 -1.63 1.79 0.00 -1.26 -4.37 120.51 112.09 1afp n ALA 24 Ca -0.05 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.93 1afp n ALA 24 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 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 0.32 0.77 -3.64 0.00 5.41 -1.25 -4.30 119.36 116.67 1afp n ILE 25 Ca 0.00 -0.19 -0.27 0.00 1.00 0.00 0.00 62.75 63.29 1afp n ILE 25 Cb 0.00 -1.23 -0.17 0.00 -0.71 0.00 0.00 39.64 37.54 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 5.21 0.00 -2.94 0.00 4.81 -1.26 0.87 118.16 124.84 1afp n LYS 27 Ca -0.07 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.93 1afp n LYS 27 Cb 0.48 -0.89 -0.02 0.00 0.02 0.00 0.00 35.03 34.62 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp n TYR 29 N 6.22 0.00 0.00 0.00 9.36 -1.26 -4.72 117.16 126.76 1afp n TYR 29 Ca 0.27 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.49 1afp n TYR 29 Cb 0.47 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.18 1afp n TYR 29 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1afp n VAL 30 N -0.69 0.00 -1.81 2.97 0.31 -1.26 -5.05 118.33 112.81 1afp n VAL 30 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.99 1afp n VAL 30 Cb 0.04 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.94 1afp n VAL 30 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1afp s LYS 31 N 4.94 3.76 0.71 5.55 1.02 -1.26 -4.90 119.74 129.56 1afp s LYS 31 Ca 0.00 2.15 -0.17 0.00 0.02 0.00 0.00 55.97 57.96 1afp s LYS 31 Cb 0.00 -4.17 -0.15 0.00 -0.52 0.00 0.00 37.83 32.99 1afp s LYS 31 CO 0.00 -1.36 -0.41 1.17 -0.92 0.00 0.00 175.35 173.83 1afp n LYS 32 N 7.88 0.00 -2.26 1.68 4.81 -1.26 -4.65 118.16 124.36 1afp n LYS 32 Ca 0.22 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.30 1afp n LYS 32 Cb 0.43 -0.99 -0.01 0.00 0.02 0.00 0.00 35.03 34.49 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 1.86 0.25 -1.36 0.00 0.13 -1.88 -3.40 132.00 127.61 1afp h PRO 34 Ca -0.49 -0.25 0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1afp h PRO 34 Cb 1.25 0.06 -0.28 0.00 0.13 0.00 0.00 31.00 32.16 1afp h PRO 34 CO 0.59 0.94 0.67 -0.98 -0.23 0.00 0.00 178.00 179.00 1afp s ARG 35 N -3.29 0.32 0.07 0.86 1.70 -1.26 -4.84 118.95 112.51 1afp s ARG 35 Ca -0.15 0.28 -0.30 0.00 -0.47 0.00 0.00 55.73 55.09 1afp s ARG 35 Cb 0.02 0.16 -0.16 0.00 -0.57 0.00 0.00 34.95 34.40 1afp s ARG 35 CO 0.76 -0.06 0.71 -3.47 -1.08 0.00 0.00 175.30 172.16 1afp n ASP 36 N 1.53 -0.47 0.00 -2.89 2.03 -1.25 0.50 116.55 116.00 1afp n ASP 36 Ca -0.10 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.19 1afp n ASP 36 Cb 0.57 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 1.46 3.22 3.73 0.27 0.00 -0.60 -4.97 105.19 108.31 1afp n GLY 37 Ca 0.16 0.00 -0.66 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 -1.03 -1.19 -1.76 4.61 0.00 0.18 -4.26 120.51 117.06 1afp n ALA 38 Ca 0.00 0.48 -0.37 0.00 0.00 0.00 0.00 53.44 53.55 1afp n ALA 38 Cb 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 19.45 17.49 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 3.01 3.43 0.14 0.00 2.36 -1.26 0.17 119.74 127.60 1afp s LYS 39 Ca 1.03 1.95 -0.14 0.00 -2.55 0.00 0.00 55.97 56.26 1afp s LYS 39 Cb -1.41 -2.29 0.02 0.00 -1.05 0.00 0.00 37.83 33.11 1afp s LYS 39 CO 0.78 -0.87 0.38 0.00 1.55 0.00 0.00 175.35 177.19 1afp s GLU 41 N -3.86 1.22 -0.37 0.00 0.41 -1.17 -0.88 118.70 114.05 1afp s GLU 41 Ca 0.07 -0.98 -0.08 0.00 -0.41 0.00 0.00 54.97 53.57 1afp s GLU 41 Cb 0.02 -1.36 0.06 0.00 -1.78 0.00 0.00 34.13 31.06 1afp s GLU 41 CO -0.08 0.34 0.18 0.12 -0.49 0.00 0.00 175.26 175.33 1afp s PHE 42 N -0.93 3.30 -0.03 1.61 5.36 -1.22 -2.07 117.98 124.00 1afp s PHE 42 Ca 0.06 -1.47 -0.30 0.00 -0.96 0.00 0.00 56.93 54.26 1afp s PHE 42 Cb -0.09 -2.59 -0.04 0.00 -0.34 0.00 0.00 43.02 39.96 1afp s PHE 42 CO 0.02 -0.78 1.31 -0.51 -1.46 0.00 0.00 175.22 173.81 1afp s ASP 43 N 1.69 6.94 -0.24 6.13 -0.00 -1.26 -2.33 116.67 127.60 1afp s ASP 43 Ca 0.01 1.97 0.03 0.00 -0.00 0.00 0.00 52.55 54.56 1afp s ASP 43 Cb -0.21 -2.56 0.40 0.00 -0.00 0.00 0.00 42.92 40.55 1afp s ASP 43 CO 0.03 -0.66 1.49 -1.54 -0.00 0.00 0.00 175.17 174.48 1afp n SER 44 N 5.36 3.47 -0.02 0.27 3.41 -1.26 -2.56 113.62 122.29 1afp n SER 44 Ca 0.12 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 1afp n SER 44 Cb 0.45 -0.68 -0.06 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 -0.35 0.00 0.04 7.33 4.01 -1.26 -4.87 117.16 122.06 1afp n TYR 45 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.06 1afp n TYR 45 Cb 1.13 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 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 -2.01 0.00 0.00 -0.72 5.02 -1.24 -5.06 118.16 114.15 1afp n LYS 46 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1afp n LYS 46 Cb 0.46 -0.33 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 2.62 1.92 0.00 0.72 0.00 -1.06 -5.12 105.19 104.27 1afp n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.35 1.42 -3.53 1.61 4.76 -1.26 -5.00 118.16 115.81 1afp n LYS 48 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1afp n LYS 48 Cb 0.00 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.05 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 4.76 3.72 1.71 0.00 4.02 -0.88 -4.59 117.16 125.90 1afp n TYR 50 Ca 0.01 -2.27 0.14 0.00 -0.01 0.00 0.00 57.90 55.76 1afp n TYR 50 Cb 0.40 -2.58 0.81 0.00 -0.02 0.00 0.00 39.34 37.95 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85