#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brz n LYS 3 N 0.00 2.53 0.00 -1.24 4.81 -1.26 -4.83 118.16 118.17 2brz n LYS 3 Ca 0.00 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 2brz n LYS 3 Cb 0.00 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.31 2brz n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2brz s LYS 5 N 0.00 3.59 -0.16 0.00 -2.85 -1.26 -1.19 119.74 117.86 2brz s LYS 5 Ca 0.00 -0.24 -0.08 0.00 -1.00 0.00 0.00 55.97 54.65 2brz s LYS 5 Cb 0.00 -3.16 0.06 0.00 -2.06 0.00 0.00 37.83 32.67 2brz s LYS 5 CO 0.00 0.59 0.38 -1.59 0.10 0.00 0.00 175.35 174.83 2brz s LYS 6 N -0.50 0.35 0.27 1.78 -2.85 -0.43 -4.96 119.74 113.40 2brz s LYS 6 Ca 0.11 0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 55.57 2brz s LYS 6 Cb -0.12 0.00 -0.10 0.00 -2.06 0.00 0.00 37.83 35.56 2brz s LYS 6 CO 0.02 -0.18 1.41 0.14 0.10 0.00 0.00 175.35 176.85 2brz s VAL 7 N 1.57 2.65 -0.60 1.79 -7.23 -1.26 -1.51 120.40 115.81 2brz s VAL 7 Ca -0.08 0.57 -0.26 0.00 -1.81 0.00 0.00 61.98 60.39 2brz s VAL 7 Cb -0.09 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 2brz s VAL 7 CO -0.12 0.10 2.02 -0.47 -0.31 0.00 0.00 175.10 176.32 2brz s TYR 8 N -0.27 1.50 0.00 2.82 5.04 -0.29 -4.79 117.35 121.36 2brz s TYR 8 Ca 0.57 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 56.21 2brz s TYR 8 Cb -0.42 -3.94 0.00 0.00 0.35 0.00 0.00 41.96 37.95 2brz s TYR 8 CO 0.46 -2.32 0.27 0.39 -1.34 0.00 0.00 175.55 173.01 2brz n GLU 9 N 9.12 0.14 0.00 4.97 1.02 -1.26 -4.04 120.64 130.59 2brz n GLU 9 Ca 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2brz n GLU 9 Cb 0.52 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 2brz n GLU 9 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2brz n ASN 10 N 1.89 0.00 -3.65 1.62 3.02 -1.26 -5.18 115.26 111.70 2brz n ASN 10 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 2brz n ASN 10 Cb 0.07 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 2brz n ASN 10 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2brz s TYR 11 N 0.00 -0.03 -0.49 3.10 5.04 -1.26 -5.12 117.35 118.59 2brz s TYR 11 Ca 0.00 0.07 -0.29 0.00 -2.44 0.00 0.00 57.07 54.42 2brz s TYR 11 Cb 0.00 0.44 0.02 0.00 0.35 0.00 0.00 41.96 42.77 2brz s TYR 11 CO 0.00 -0.01 1.31 -1.25 -1.34 0.00 0.00 175.55 174.26 2brz s PRO 12 N 0.13 3.53 -0.65 4.97 0.04 -1.26 -4.93 135.00 136.83 2brz s PRO 12 Ca 0.06 0.62 -0.26 0.00 0.04 0.00 0.00 61.00 61.45 2brz s PRO 12 Cb -0.05 -4.02 -0.12 0.00 0.04 0.00 0.00 34.50 30.35 2brz s PRO 12 CO -0.16 -1.64 2.47 1.55 0.04 0.00 0.00 177.00 179.27 2brz n VAL 13 N 6.91 -0.06 -3.00 -0.36 3.14 -1.26 -4.68 118.33 119.03 2brz n VAL 13 Ca 0.13 -0.59 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 2brz n VAL 13 Cb 0.49 -2.12 0.00 0.00 -1.06 0.00 0.00 33.84 31.15 2brz n VAL 13 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2brz n SER 14 N 14.72 0.00 -0.55 6.55 3.41 -1.26 -5.09 113.62 131.41 2brz n SER 14 Ca 0.46 -0.17 -0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2brz n SER 14 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2brz n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2brz n LYS 15 N 0.00 -0.00 -3.02 4.33 5.02 -1.26 -4.92 118.16 118.31 2brz n LYS 15 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.32 2brz n LYS 15 Cb 0.00 -0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2brz n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2brz n GLN 17 N 4.38 0.00 -3.64 0.00 1.13 -1.26 -5.04 117.38 112.95 2brz n GLN 17 Ca 0.08 -0.44 -0.08 0.00 -1.94 0.00 0.00 57.00 54.62 2brz n GLN 17 Cb 0.59 -0.25 -0.07 0.00 0.11 0.00 0.00 30.24 30.62 2brz n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2brz s LEU 18 N 0.00 -0.66 -0.11 1.08 1.43 -1.26 -5.05 118.68 114.11 2brz s LEU 18 Ca 0.00 1.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.98 2brz s LEU 18 Cb 0.00 2.10 -0.32 0.00 0.03 0.00 0.00 46.19 48.00 2brz s LEU 18 CO 0.00 -0.19 1.52 0.00 0.23 0.00 0.00 176.35 177.91 2brz n ALA 19 N 3.22 0.67 -0.26 4.21 0.00 -1.26 -3.63 120.51 123.46 2brz n ALA 19 Ca -0.16 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 50.89 2brz n ALA 19 Cb 0.57 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.76 2brz n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2brz n ASN 20 N 9.45 0.00 0.00 0.00 4.05 -1.26 -4.71 115.26 122.78 2brz n ASN 20 Ca 0.41 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.44 2brz n ASN 20 Cb 0.41 0.16 0.00 0.00 1.23 0.00 0.00 39.78 41.58 2brz n ASN 20 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 2brz n GLN 21 N -2.11 0.00 -0.20 1.20 -0.06 -1.24 0.20 117.38 115.16 2brz n GLN 21 Ca 0.00 0.71 -0.06 0.00 -2.00 0.00 0.00 57.00 55.65 2brz n GLN 21 Cb 0.00 -1.19 0.03 0.00 -4.06 0.00 0.00 30.24 25.02 2brz n GLN 21 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2brz n ASN 23 N -4.67 0.00 -0.34 0.00 5.15 -0.61 -0.86 115.26 113.92 2brz n ASN 23 Ca 0.04 0.68 0.21 0.00 -0.60 0.00 0.00 54.58 54.91 2brz n ASN 23 Cb 0.02 -0.18 0.43 0.00 -0.53 0.00 0.00 39.78 39.52 2brz n ASN 23 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2brz h TYR 24 N 0.00 0.96 0.26 1.20 3.20 0.21 -0.27 116.97 122.53 2brz h TYR 24 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2brz h TYR 24 Cb 0.00 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2brz h TYR 24 CO -0.03 -0.04 -0.32 -0.44 -1.64 0.00 0.00 178.16 175.68 2brz h ASP 25 N 0.46 -0.91 -0.96 -2.11 3.32 -0.90 -2.03 116.42 113.28 2brz h ASP 25 Ca 0.68 0.08 0.14 0.00 0.02 0.00 0.00 57.03 57.95 2brz h ASP 25 Cb 1.45 0.31 -0.09 0.00 0.22 0.00 0.00 39.33 41.22 2brz h ASP 25 CO -0.52 -0.41 0.58 0.00 -1.72 0.00 0.00 179.24 177.17 2brz n LYS 27 N -4.70 0.02 0.00 0.00 4.81 -0.21 -0.66 118.16 117.41 2brz n LYS 27 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2brz n LYS 27 Cb 0.40 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 34.32 2brz n LYS 27 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2brz n LEU 28 N -0.64 0.00 0.30 3.14 -0.00 0.74 -4.55 117.00 115.99 2brz n LEU 28 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 56.01 56.20 2brz n LEU 28 Cb 0.00 0.00 0.89 0.00 -0.00 0.00 0.00 43.42 44.31 2brz n LEU 28 CO 0.00 0.00 1.07 0.44 -0.00 0.00 0.00 177.39 178.90 2brz h ASP 29 N 0.00 0.00 -0.26 1.96 5.19 0.63 -3.11 116.42 120.84 2brz h ASP 29 Ca 0.00 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.19 2brz h ASP 29 Cb 0.00 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 39.13 2brz h ASP 29 CO 0.00 0.01 -1.05 0.29 -3.12 0.00 0.00 179.24 175.36 2brz n LYS 30 N -3.11 1.10 -3.66 3.56 4.76 -1.18 -4.98 118.16 114.65 2brz n LYS 30 Ca -0.01 -2.88 -0.27 0.00 -2.87 0.00 0.00 58.31 52.28 2brz n LYS 30 Cb 0.22 -0.96 -0.05 0.00 -1.84 0.00 0.00 35.03 32.39 2brz n LYS 30 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2brz n HIS 31 N -0.24 -1.28 -2.28 2.13 8.25 -1.18 -4.88 115.22 115.74 2brz n HIS 31 Ca 0.05 0.43 -0.26 0.00 -0.26 0.00 0.00 57.72 57.68 2brz n HIS 31 Cb 0.92 -1.44 0.13 0.00 1.12 0.00 0.00 29.99 30.72 2brz n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2brz s ALA 32 N -2.66 3.07 -0.17 -1.41 0.00 0.16 -4.93 121.76 115.83 2brz s ALA 32 Ca 0.53 -1.42 0.12 0.00 0.00 0.00 0.00 51.96 51.19 2brz s ALA 32 Cb -0.31 -2.38 -0.23 0.00 0.00 0.00 0.00 23.12 20.20 2brz s ALA 32 CO 0.65 -1.81 0.17 0.54 0.00 0.00 0.00 175.76 175.31 2brz n ARG 33 N -3.20 0.68 -3.58 0.00 3.00 -0.26 -4.29 116.66 109.01 2brz n ARG 33 Ca 0.14 0.11 -0.05 0.00 -0.01 0.00 0.00 57.85 58.04 2brz n ARG 33 Cb 0.60 -1.60 -0.02 0.00 0.00 0.00 0.00 32.46 31.45 2brz n ARG 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2brz s SER 34 N -5.93 -0.18 0.35 0.55 1.04 -0.18 -4.77 113.70 104.58 2brz s SER 34 Ca -0.14 -0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 2brz s SER 34 Cb 0.07 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.43 2brz s SER 34 CO 0.78 -0.35 0.60 0.61 0.98 0.00 0.00 173.24 175.87 2brz n GLY 35 N -0.18 1.60 3.59 7.32 0.00 -1.25 0.14 105.19 116.41 2brz n GLY 35 Ca -0.03 -1.42 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 2brz n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2brz s GLU 36 N -2.41 0.34 -0.73 1.61 -6.30 -0.54 -3.78 118.70 106.88 2brz s GLU 36 Ca 0.21 -0.11 -0.22 0.00 -2.50 0.00 0.00 54.97 52.34 2brz s GLU 36 Cb -0.03 0.16 0.08 0.00 0.00 0.00 0.00 34.13 34.34 2brz s GLU 36 CO 0.15 -0.15 1.05 0.00 0.02 0.00 0.00 175.26 176.34 2brz s PHE 38 N 4.05 3.63 0.00 0.00 0.40 -0.46 -4.67 117.98 120.93 2brz s PHE 38 Ca 0.27 0.76 0.00 0.00 -0.60 0.00 0.00 56.93 57.36 2brz s PHE 38 Cb -0.13 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.22 2brz s PHE 38 CO 0.06 0.60 0.00 0.66 0.70 0.00 0.00 175.22 177.24 2brz n TYR 39 N 2.22 -1.41 -2.72 0.36 4.02 -1.26 -0.37 117.16 118.01 2brz n TYR 39 Ca -0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.68 2brz n TYR 39 Cb 0.53 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.90 2brz n TYR 39 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2brz n ASP 40 N -1.11 -2.39 -1.83 7.72 5.75 -1.23 -4.86 116.55 118.60 2brz n ASP 40 Ca 0.00 -2.53 -0.07 0.00 -0.01 0.00 0.00 54.79 52.18 2brz n ASP 40 Cb 0.00 1.38 -0.01 0.00 -1.03 0.00 0.00 41.12 41.45 2brz n ASP 40 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2brz n GLU 41 N 1.96 -1.15 0.00 0.11 0.00 -1.26 -4.27 120.64 116.03 2brz n GLU 41 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.27 2brz n GLU 41 Cb 0.64 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.85 2brz n GLU 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2brz n LYS 42 N -1.15 2.61 -1.30 3.44 5.02 -1.26 -5.05 118.16 120.46 2brz n LYS 42 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2brz n LYS 42 Cb 0.12 -0.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 2brz n LYS 42 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2brz n ARG 43 N 0.00 0.00 -3.65 1.97 3.00 -1.26 -5.09 116.66 111.64 2brz n ARG 43 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 2brz n ARG 43 Cb 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 32.46 30.93 2brz n ARG 43 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2brz s ASN 44 N -2.45 1.87 0.37 6.15 -0.87 -1.26 -5.01 114.94 113.74 2brz s ASN 44 Ca 0.00 -0.33 -0.12 0.00 -1.57 0.00 0.00 52.86 50.84 2brz s ASN 44 Cb 0.00 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.25 40.93 2brz s ASN 44 CO 0.00 -0.30 0.75 -1.48 -2.57 0.00 0.00 177.10 173.50 2brz s LEU 45 N 2.13 3.92 -0.04 0.60 2.34 -1.26 -3.48 118.68 122.89 2brz s LEU 45 Ca 0.03 1.18 -0.05 0.00 0.06 0.00 0.00 54.13 55.35 2brz s LEU 45 Cb -0.14 -4.03 0.01 0.00 -0.56 0.00 0.00 46.19 41.47 2brz s LEU 45 CO -0.06 -0.32 0.13 -1.10 -1.06 0.00 0.00 176.35 173.93 2brz s GLN 46 N -3.52 0.21 -0.92 1.48 -0.21 0.50 -4.88 119.66 112.32 2brz s GLN 46 Ca 0.52 0.07 -0.24 0.00 0.02 0.00 0.00 55.36 55.72 2brz s GLN 46 Cb -0.10 0.10 -0.04 0.00 1.00 0.00 0.00 33.01 33.96 2brz s GLN 46 CO 0.26 -0.03 1.91 0.00 -2.12 0.00 0.00 175.29 175.31 2brz s ILE 48 N 9.75 4.82 -0.35 0.00 1.01 -0.25 -1.14 121.20 135.04 2brz s ILE 48 Ca 0.68 1.16 -0.15 0.00 0.00 0.00 0.00 60.65 62.35 2brz s ILE 48 Cb -0.06 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 2brz s ILE 48 CO -0.01 -0.21 0.33 0.00 0.00 0.00 0.00 174.94 175.05 2brz s ASP 50 N 1.73 6.38 -0.19 0.00 1.11 0.36 -1.31 116.67 124.77 2brz s ASP 50 Ca 0.10 0.45 0.15 0.00 0.18 0.00 0.00 52.55 53.43 2brz s ASP 50 Cb -0.17 -2.14 -0.22 0.00 1.07 0.00 0.00 42.92 41.46 2brz s ASP 50 CO 0.11 0.18 0.04 -1.22 1.18 0.00 0.00 175.17 175.47 2brz n TYR 51 N 3.21 0.00 -0.12 4.23 4.02 -0.33 -1.01 117.16 127.16 2brz n TYR 51 Ca -0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.50 2brz n TYR 51 Cb 0.52 -0.90 -0.09 0.00 -0.02 0.00 0.00 39.34 38.85 2brz n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2brz n GLU 53 N -4.34 -4.79 0.00 0.00 2.13 -1.26 -5.03 120.64 107.34 2brz n GLU 53 Ca -0.42 3.55 0.07 0.00 0.66 0.00 0.00 57.16 61.02 2brz n GLU 53 Cb 0.76 -4.82 0.43 0.00 0.27 0.00 0.00 31.44 28.09 2brz n GLU 53 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70