#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 5.09 -0.33 0.00 2.01 -1.26 -3.87 115.64 117.28 1afp s THR 2 Ca 0.00 1.14 -0.16 0.00 0.31 0.00 0.00 61.69 62.98 1afp s THR 2 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1afp s THR 2 CO 0.00 0.21 0.39 -0.31 -0.69 0.00 0.00 174.62 174.22 1afp s TYR 3 N 1.26 3.21 0.46 4.92 2.02 -0.66 -4.82 117.35 123.74 1afp s TYR 3 Ca 0.29 0.09 -0.02 0.00 -0.37 0.00 0.00 57.07 57.06 1afp s TYR 3 Cb -0.16 -2.69 -0.02 0.00 -0.40 0.00 0.00 41.96 38.69 1afp s TYR 3 CO 0.12 -0.41 0.71 -0.80 -1.57 0.00 0.00 175.55 173.60 1afp s ASN 4 N 1.72 6.04 0.00 2.29 -0.87 -1.26 0.20 114.94 123.07 1afp s ASN 4 Ca 0.13 0.59 0.00 0.00 -1.57 0.00 0.00 52.86 52.01 1afp s ASN 4 Cb -0.16 -1.90 0.00 0.00 -0.02 0.00 0.00 41.25 39.16 1afp s ASN 4 CO 0.12 -0.62 0.00 0.61 -2.57 0.00 0.00 177.10 174.64 1afp n GLY 5 N -2.14 -0.97 3.10 0.66 0.00 -0.44 -3.84 105.19 101.56 1afp n GLY 5 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.26 0.64 0.19 1.61 1.02 0.20 -2.06 119.74 121.09 1afp s LYS 6 Ca 0.00 -1.03 0.07 0.00 0.02 0.00 0.00 55.97 55.04 1afp s LYS 6 Cb 0.00 -0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.10 1afp s LYS 6 CO 0.00 -0.00 -0.14 0.00 -0.92 0.00 0.00 175.35 174.28 1afp s TYR 8 N -2.87 2.07 -0.10 0.00 1.51 -1.00 -1.41 117.35 115.56 1afp s TYR 8 Ca 0.20 -0.47 -0.22 0.00 -1.01 0.00 0.00 57.07 55.57 1afp s TYR 8 Cb -0.01 -1.35 -0.28 0.00 -0.11 0.00 0.00 41.96 40.21 1afp s TYR 8 CO 0.06 -0.09 0.73 1.57 -1.11 0.00 0.00 175.55 176.71 1afp h LYS 9 N 5.77 0.19 -0.01 -0.62 2.10 -1.78 2.21 116.57 124.44 1afp h LYS 9 Ca -0.38 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 57.94 1afp h LYS 9 Cb 1.15 0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1afp h LYS 9 CO 0.47 1.16 0.02 0.87 -2.00 0.00 0.00 179.45 179.97 1afp h LYS 10 N -0.55 0.00 -0.00 0.07 1.57 -1.95 -0.34 116.57 115.37 1afp h LYS 10 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1afp h LYS 10 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1afp h LYS 10 CO 0.07 0.00 -0.18 -0.25 -0.57 0.00 0.00 179.45 178.52 1afp n ASP 11 N -3.41 0.35 -3.89 0.86 9.92 -1.23 -5.03 116.55 114.12 1afp n ASP 11 Ca -0.03 -0.67 -0.34 0.00 -0.53 0.00 0.00 54.79 53.22 1afp n ASP 11 Cb 0.09 0.88 0.01 0.00 -0.64 0.00 0.00 41.12 41.46 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1afp n ASN 12 N -0.94 -4.03 -2.95 -2.24 2.85 0.73 -4.83 115.26 103.85 1afp n ASN 12 Ca 0.01 -1.06 -0.17 0.00 -0.11 0.00 0.00 54.58 53.25 1afp n ASN 12 Cb 0.07 -1.45 -0.07 0.00 1.24 0.00 0.00 39.78 39.58 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 -3.66 0.00 -3.71 -1.44 -6.64 -0.31 -1.59 119.36 102.00 1afp n ILE 13 Ca -0.20 -2.07 -0.29 0.00 -1.77 0.00 0.00 62.75 58.42 1afp n ILE 13 Cb 0.57 1.01 -0.15 0.00 -1.44 0.00 0.00 39.64 39.63 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 1.75 3.80 0.00 0.00 1.02 0.51 0.17 119.74 127.00 1afp s LYS 15 Ca 0.06 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.33 1afp s LYS 15 Cb -0.17 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 1afp s LYS 15 CO -0.21 0.70 0.00 2.48 -0.92 0.00 0.00 175.35 177.40 1afp n TYR 16 N 1.78 -0.74 -3.93 3.18 0.18 -1.26 0.63 117.16 117.00 1afp n TYR 16 Ca -0.15 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.33 1afp n TYR 16 Cb 0.53 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.35 1afp n TYR 16 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1afp s LYS 17 N -1.80 1.63 0.57 -3.48 1.02 -1.25 -4.47 119.74 111.96 1afp s LYS 17 Ca 0.00 -2.19 -0.14 0.00 0.02 0.00 0.00 55.97 53.66 1afp s LYS 17 Cb 0.00 -3.06 -0.12 0.00 -0.52 0.00 0.00 37.83 34.13 1afp s LYS 17 CO 0.00 -1.05 -0.32 0.00 -0.92 0.00 0.00 175.35 173.06 1afp n ALA 18 N 3.66 -3.63 0.31 5.17 0.00 -1.26 -4.61 120.51 120.16 1afp n ALA 18 Ca 0.05 -0.24 0.19 0.00 0.00 0.00 0.00 53.44 53.44 1afp n ALA 18 Cb 0.36 -1.07 1.03 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.32 0.00 -0.00 0.00 -0.00 -1.96 0.12 115.11 112.95 1afp h GLN 19 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.30 1afp h GLN 19 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.62 1afp h GLN 19 CO 0.28 0.00 -0.20 -1.13 0.00 0.00 0.00 178.83 177.78 1afp n SER 20 N -3.22 0.68 0.00 -0.69 3.41 -1.26 -4.98 113.62 107.55 1afp n SER 20 Ca -0.02 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1afp n SER 20 Cb 0.19 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 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 0.91 0.51 0.06 5.00 0.00 0.40 -4.93 105.19 107.15 1afp n GLY 21 Ca 0.02 -0.19 -0.04 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 0.98 0.00 -6.91 1.61 3.64 -1.94 -3.45 116.57 110.50 1afp h LYS 22 Ca 0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.01 1afp h LYS 22 Cb 0.00 0.00 0.21 0.00 -0.41 0.00 0.00 32.23 32.03 1afp h LYS 22 CO 0.00 0.23 -0.17 2.41 -2.27 0.00 0.00 179.45 179.66 1afp n THR 23 N -4.71 0.00 0.00 1.00 -1.04 -1.26 -4.94 114.28 103.34 1afp n THR 23 Ca -0.04 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1afp n THR 23 Cb 0.16 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1afp n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1afp n ALA 24 N -5.71 0.00 -1.78 2.41 0.00 -1.26 -4.17 120.51 110.00 1afp n ALA 24 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1afp n ALA 24 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -5.54 -3.42 0.00 -0.00 -1.20 -4.94 119.36 104.25 1afp n ILE 25 Ca 0.00 2.52 -0.16 0.00 -0.00 0.00 0.00 62.75 65.11 1afp n ILE 25 Cb 0.00 -3.34 -0.11 0.00 -0.00 0.00 0.00 39.64 36.19 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 5.32 0.00 -3.13 0.00 4.01 -1.26 -0.07 118.16 123.03 1afp n LYS 27 Ca -0.04 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.35 1afp n LYS 27 Cb 0.48 -0.83 -0.07 0.00 -0.51 0.00 0.00 35.03 34.11 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afp n TYR 29 N 5.86 0.76 -0.77 0.00 4.11 -1.26 -4.84 117.16 121.02 1afp n TYR 29 Ca -0.01 -0.46 0.00 0.00 -0.00 0.00 0.00 57.90 57.42 1afp n TYR 29 Cb 0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.82 1afp n TYR 29 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1afp n VAL 30 N 1.28 0.00 -1.52 -3.48 0.24 -1.26 -4.99 118.33 108.59 1afp n VAL 30 Ca 0.20 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.19 1afp n VAL 30 Cb 0.56 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.80 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 0.36 -1.00 7.34 5.02 -1.26 -4.79 118.16 123.82 1afp n LYS 31 Ca 0.00 -0.14 -0.33 0.00 -2.02 0.00 0.00 58.31 55.82 1afp n LYS 31 Cb 0.00 -2.25 0.02 0.00 -0.02 0.00 0.00 35.03 32.78 1afp n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1afp n LYS 32 N 8.02 0.00 -2.02 1.97 4.81 -1.26 -4.72 118.16 124.96 1afp n LYS 32 Ca 0.56 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.59 1afp n LYS 32 Cb 0.25 -0.87 -0.01 0.00 0.02 0.00 0.00 35.03 34.42 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 3.14 0.47 -1.11 0.00 0.13 -1.89 -3.36 132.00 129.37 1afp h PRO 34 Ca -0.50 -0.46 0.25 0.00 -0.87 0.00 0.00 66.00 64.42 1afp h PRO 34 Cb 1.23 0.12 -0.26 0.00 0.13 0.00 0.00 31.00 32.23 1afp h PRO 34 CO 0.64 1.11 0.93 -0.98 -0.23 0.00 0.00 178.00 179.47 1afp s ARG 35 N -3.41 0.10 0.06 0.86 1.70 -1.26 -4.81 118.95 112.19 1afp s ARG 35 Ca -0.07 0.01 -0.37 0.00 -0.47 0.00 0.00 55.73 54.84 1afp s ARG 35 Cb 0.09 0.05 -0.16 0.00 -0.57 0.00 0.00 34.95 34.35 1afp s ARG 35 CO 0.87 -0.03 1.40 -3.47 -1.08 0.00 0.00 175.30 172.99 1afp n ASP 36 N 0.40 1.86 0.00 -2.89 2.03 -1.25 -0.06 116.55 116.63 1afp n ASP 36 Ca 0.00 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1afp n ASP 36 Cb 0.58 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 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 2.77 2.90 3.70 0.27 0.00 -0.50 -4.98 105.19 109.35 1afp n GLY 37 Ca 0.19 0.00 -0.66 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.59 -1.77 -1.74 4.61 0.00 0.91 -4.27 120.51 117.66 1afp n ALA 38 Ca 0.00 0.52 -0.36 0.00 0.00 0.00 0.00 53.44 53.59 1afp n ALA 38 Cb 0.00 -1.90 0.04 0.00 0.00 0.00 0.00 19.45 17.59 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 2.42 2.84 0.36 0.00 2.36 -1.26 0.19 119.74 126.65 1afp s LYS 39 Ca 1.02 1.88 -0.12 0.00 -2.55 0.00 0.00 55.97 56.20 1afp s LYS 39 Cb -1.44 -1.91 0.04 0.00 -1.05 0.00 0.00 37.83 33.47 1afp s LYS 39 CO 0.76 -1.32 0.68 0.00 1.55 0.00 0.00 175.35 177.03 1afp s GLU 41 N -2.69 0.74 -0.30 0.00 1.03 -1.25 -1.33 118.70 114.90 1afp s GLU 41 Ca 0.20 0.19 -0.03 0.00 0.03 0.00 0.00 54.97 55.36 1afp s GLU 41 Cb -0.04 0.34 0.04 0.00 -0.80 0.00 0.00 34.13 33.68 1afp s GLU 41 CO 0.14 -0.18 0.02 0.12 -1.33 0.00 0.00 175.26 174.02 1afp s PHE 42 N -0.80 3.24 0.00 4.83 5.36 0.13 -2.14 117.98 128.60 1afp s PHE 42 Ca -0.09 -1.73 -0.30 0.00 -0.96 0.00 0.00 56.93 53.85 1afp s PHE 42 Cb -0.03 -2.14 -0.04 0.00 -0.34 0.00 0.00 43.02 40.47 1afp s PHE 42 CO 0.05 -0.78 1.10 0.34 -1.46 0.00 0.00 175.22 174.47 1afp s ASP 43 N 1.30 7.20 0.00 6.13 3.68 -1.20 -1.65 116.67 132.13 1afp s ASP 43 Ca -0.04 1.80 0.25 0.00 2.13 0.00 0.00 52.55 56.69 1afp s ASP 43 Cb -0.19 -2.57 0.43 0.00 -1.45 0.00 0.00 42.92 39.14 1afp s ASP 43 CO -0.01 -0.41 1.36 -1.54 0.13 0.00 0.00 175.17 174.70 1afp n SER 44 N 4.23 0.84 0.26 -0.34 3.41 -1.25 -2.70 113.62 118.07 1afp n SER 44 Ca 0.08 -0.64 0.16 0.00 -0.26 0.00 0.00 58.87 58.21 1afp n SER 44 Cb 0.48 0.34 0.86 0.00 -0.26 0.00 0.00 64.21 65.64 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 0.53 0.00 0.00 7.33 -0.00 -1.90 -3.37 116.97 119.56 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 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.25 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 -1.25 -5.08 118.16 114.29 1afp n LYS 46 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1afp n LYS 46 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 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 1.17 0.61 3.34 0.72 0.00 -1.10 -5.14 105.19 104.79 1afp n GLY 47 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.41 -0.56 1.61 -0.14 -1.22 -5.05 119.74 115.79 1afp s LYS 48 Ca 0.00 -1.22 -0.24 0.00 -1.36 0.00 0.00 55.97 53.15 1afp s LYS 48 Cb 0.00 -1.75 0.04 0.00 -1.68 0.00 0.00 37.83 34.44 1afp s LYS 48 CO 0.00 0.43 0.95 0.00 -0.76 0.00 0.00 175.35 175.97 1afp n TYR 50 N 7.52 3.21 1.33 0.00 4.02 -0.91 -4.62 117.16 127.71 1afp n TYR 50 Ca 0.02 -2.99 0.11 0.00 -0.01 0.00 0.00 57.90 55.03 1afp n TYR 50 Cb 0.47 -2.47 0.63 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