#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brz n LYS 3 N 0.00 0.74 -1.70 -1.24 5.02 -1.26 -4.65 118.16 115.07 1brz n LYS 3 Ca 0.00 0.27 -0.03 0.00 -2.02 0.00 0.00 58.31 56.52 1brz n LYS 3 Cb 0.00 -1.86 0.01 0.00 -0.02 0.00 0.00 35.03 33.15 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1brz s LYS 5 N -0.29 4.08 -0.18 0.00 2.47 -1.26 -0.65 119.74 123.91 1brz s LYS 5 Ca 0.10 -0.07 -0.05 0.00 -1.56 0.00 0.00 55.97 54.39 1brz s LYS 5 Cb 0.21 -3.38 0.09 0.00 -1.46 0.00 0.00 37.83 33.29 1brz s LYS 5 CO -0.07 0.37 0.33 0.15 0.16 0.00 0.00 175.35 176.30 1brz s LYS 6 N 0.11 0.24 0.42 4.03 1.02 -0.14 -5.01 119.74 120.42 1brz s LYS 6 Ca 0.13 0.76 -0.25 0.00 0.02 0.00 0.00 55.97 56.63 1brz s LYS 6 Cb -0.12 -0.09 -0.08 0.00 -0.52 0.00 0.00 37.83 37.02 1brz s LYS 6 CO 0.02 -0.37 1.28 0.14 -0.92 0.00 0.00 175.35 175.49 1brz s VAL 7 N 2.50 2.70 -0.47 3.17 -7.23 -1.26 -0.87 120.40 118.93 1brz s VAL 7 Ca 0.03 0.60 -0.25 0.00 -1.81 0.00 0.00 61.98 60.56 1brz s VAL 7 Cb -0.13 -3.35 0.03 0.00 0.56 0.00 0.00 36.38 33.49 1brz s VAL 7 CO -0.11 0.07 0.88 -0.47 -0.31 0.00 0.00 175.10 175.16 1brz s TYR 8 N -1.31 2.93 0.60 2.82 6.14 0.51 -4.84 117.35 124.20 1brz s TYR 8 Ca 0.58 0.25 -0.09 0.00 0.64 0.00 0.00 57.07 58.46 1brz s TYR 8 Cb -0.36 -3.89 0.14 0.00 0.42 0.00 0.00 41.96 38.27 1brz s TYR 8 CO 0.46 -1.10 0.32 0.39 0.64 0.00 0.00 175.55 176.26 1brz n GLU 9 N 7.07 -2.10 0.00 4.97 1.02 -1.26 -4.49 120.64 125.85 1brz n GLU 9 Ca 0.04 -0.54 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 1brz n GLU 9 Cb 0.48 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 1brz n GLU 9 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1brz n ASN 10 N -2.96 0.00 -2.65 1.62 0.23 -1.26 -4.95 115.26 105.29 1brz n ASN 10 Ca 0.05 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.08 1brz n ASN 10 Cb 0.22 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.96 1brz n ASN 10 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1brz s TYR 11 N 0.00 -0.01 -1.68 -2.53 6.14 -1.26 -5.02 117.35 112.99 1brz s TYR 11 Ca 0.00 -0.00 0.00 0.00 0.64 0.00 0.00 57.07 57.71 1brz s TYR 11 Cb 0.00 0.00 0.00 0.00 0.42 0.00 0.00 41.96 42.38 1brz s TYR 11 CO 0.00 -0.01 0.17 -2.30 0.64 0.00 0.00 175.55 174.05 1brz n PRO 12 N 2.66 0.00 0.00 4.97 -0.02 -1.26 -4.80 135.00 136.55 1brz n PRO 12 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1brz n PRO 12 Cb 0.67 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 1brz n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1brz n VAL 13 N -0.62 0.00 -1.56 -1.45 0.31 -1.26 -4.98 118.33 108.76 1brz n VAL 13 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1brz n VAL 13 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1brz n VAL 13 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1brz n SER 14 N 3.63 -2.51 0.00 4.52 3.41 -1.26 -4.09 113.62 117.31 1brz n SER 14 Ca 0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1brz n SER 14 Cb 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1brz n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1brz n LYS 15 N 0.76 0.00 0.00 4.33 4.76 -1.26 -4.97 118.16 121.78 1brz n LYS 15 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1brz n LYS 15 Cb 0.20 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.39 1brz n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1brz n GLN 17 N 0.00 0.08 -0.05 0.00 6.02 -1.26 -1.55 117.38 120.63 1brz n GLN 17 Ca 0.00 0.58 -0.14 0.00 -0.01 0.00 0.00 57.00 57.43 1brz n GLN 17 Cb 0.00 -1.78 -0.08 0.00 1.02 0.00 0.00 30.24 29.40 1brz n GLN 17 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1brz h LEU 18 N 0.00 0.48 0.00 1.08 -0.00 -1.99 -3.48 115.31 111.40 1brz h LEU 18 Ca 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 1brz h LEU 18 Cb 0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 1brz h LEU 18 CO 0.00 0.97 0.00 0.00 -0.00 0.00 0.00 178.44 179.41 1brz n ALA 19 N -2.49 0.00 -1.85 1.53 0.00 -0.60 -5.05 120.51 112.06 1brz n ALA 19 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1brz n ALA 19 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1brz n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1brz n ASN 20 N 0.00 0.00 0.00 0.00 4.05 -1.26 -4.03 115.26 114.02 1brz n ASN 20 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1brz n ASN 20 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1brz n ASN 20 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1brz n GLN 21 N 0.00 0.00 0.01 1.20 1.13 -1.26 0.16 117.38 118.62 1brz n GLN 21 Ca 0.00 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1brz n GLN 21 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.35 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1brz h ASN 23 N -0.02 -0.57 -0.44 0.00 -1.24 0.15 0.86 115.58 114.32 1brz h ASN 23 Ca -0.00 0.15 0.06 0.00 0.71 0.00 0.00 56.30 57.22 1brz h ASN 23 Cb 0.02 0.33 -0.05 0.00 0.73 0.00 0.00 38.32 39.34 1brz h ASN 23 CO 0.00 -0.20 0.13 0.22 -1.29 0.00 0.00 177.43 176.29 1brz h TYR 24 N -0.08 0.23 0.32 0.67 3.20 -1.07 0.14 116.97 120.39 1brz h TYR 24 Ca 0.21 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1brz h TYR 24 Cb 0.39 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1brz h TYR 24 CO -0.42 0.07 -0.28 -0.44 -1.64 0.00 0.00 178.16 175.45 1brz h ASP 25 N 0.29 -0.75 -0.39 -2.11 3.32 0.26 -2.64 116.42 114.39 1brz h ASP 25 Ca 0.21 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.37 1brz h ASP 25 Cb 0.22 0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 1brz h ASP 25 CO -0.23 -0.42 0.12 0.00 -1.72 0.00 0.00 179.24 176.99 1brz n LYS 27 N -5.04 0.00 0.00 0.00 4.81 0.46 0.25 118.16 118.63 1brz n LYS 27 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1brz n LYS 27 Cb 0.16 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.15 1brz n LYS 27 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1brz n LEU 28 N -0.56 0.00 0.00 3.14 0.00 0.66 -4.62 117.00 115.62 1brz n LEU 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1brz n LEU 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1brz n LEU 28 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 177.39 177.86 1brz n ASP 29 N 0.00 0.00 -0.29 1.96 9.92 -1.07 0.33 116.55 127.39 1brz n ASP 29 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1brz n ASP 29 Cb 0.00 0.00 0.31 0.00 -0.64 0.00 0.00 41.12 40.79 1brz n ASP 29 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1brz n LYS 30 N 0.00 0.92 -1.93 -1.24 5.02 -1.26 -4.95 118.16 114.71 1brz n LYS 30 Ca 0.00 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 1brz n LYS 30 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1brz n HIS 31 N -0.53 0.00 -2.35 2.13 8.25 0.99 -5.08 115.22 118.63 1brz n HIS 31 Ca 0.12 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.33 1brz n HIS 31 Cb 0.37 -1.25 0.08 0.00 1.12 0.00 0.00 29.99 30.32 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1brz s ALA 32 N -2.78 3.34 -0.13 -1.41 0.00 0.14 -4.89 121.76 116.03 1brz s ALA 32 Ca 0.00 -1.23 0.16 0.00 0.00 0.00 0.00 51.96 50.89 1brz s ALA 32 Cb 0.00 -2.37 -0.24 0.00 0.00 0.00 0.00 23.12 20.51 1brz s ALA 32 CO 0.00 -1.35 0.36 -2.13 0.00 0.00 0.00 175.76 172.64 1brz n ARG 33 N -2.87 0.66 -0.81 0.00 0.00 0.57 -4.07 116.66 110.14 1brz n ARG 33 Ca 0.10 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.06 1brz n ARG 33 Cb 0.60 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.42 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1brz n SER 34 N -2.85 0.00 0.00 6.15 3.41 -0.06 -4.67 113.62 115.60 1brz n SER 34 Ca -0.24 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1brz n SER 34 Cb 1.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 1brz n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1brz n GLY 35 N 0.00 -2.03 3.63 5.00 0.00 -1.26 0.64 105.19 111.16 1brz n GLY 35 Ca 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 1brz n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1brz s GLU 36 N -1.87 0.12 0.04 1.61 2.12 0.07 -4.63 118.70 116.16 1brz s GLU 36 Ca 0.00 -0.05 -0.21 0.00 0.36 0.00 0.00 54.97 55.08 1brz s GLU 36 Cb 0.00 0.05 -0.06 0.00 0.26 0.00 0.00 34.13 34.38 1brz s GLU 36 CO 0.00 -0.05 0.62 0.00 -0.54 0.00 0.00 175.26 175.29 1brz s PHE 38 N -0.61 -0.31 0.95 0.00 0.08 -0.52 -4.87 117.98 112.70 1brz s PHE 38 Ca 0.31 0.74 -0.20 0.00 0.12 0.00 0.00 56.93 57.91 1brz s PHE 38 Cb -0.19 0.05 -0.16 0.00 -0.57 0.00 0.00 43.02 42.15 1brz s PHE 38 CO 0.19 -0.21 -1.03 0.66 -0.10 0.00 0.00 175.22 174.74 1brz n TYR 39 N 4.00 -3.67 -3.18 0.36 4.02 -1.25 -1.27 117.16 116.17 1brz n TYR 39 Ca -0.23 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1brz n TYR 39 Cb 0.54 -1.34 0.00 0.00 -0.02 0.00 0.00 39.34 38.51 1brz n TYR 39 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1brz n ASP 40 N 3.33 0.31 0.24 7.72 5.68 0.51 -4.60 116.55 129.75 1brz n ASP 40 Ca -0.02 -0.18 0.08 0.00 -0.50 0.00 0.00 54.79 54.18 1brz n ASP 40 Cb 0.60 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.19 1brz n ASP 40 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1brz h GLU 41 N 0.00 0.00 -0.92 0.11 5.08 -1.96 -1.87 114.58 115.02 1brz h GLU 41 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 1brz h GLU 41 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 1brz h GLU 41 CO 0.00 0.13 0.53 1.63 -1.00 0.00 0.00 179.01 180.30 1brz n LYS 42 N -4.14 2.72 -0.78 2.33 4.76 -1.26 -4.87 118.16 116.91 1brz n LYS 42 Ca -0.02 -2.99 0.00 0.00 -2.87 0.00 0.00 58.31 52.42 1brz n LYS 42 Cb 0.21 -2.18 0.00 0.00 -1.84 0.00 0.00 35.03 31.22 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1brz n ARG 43 N -0.80 -1.16 -3.62 1.97 1.74 -0.70 -4.93 116.66 109.15 1brz n ARG 43 Ca 0.53 0.29 -0.34 0.00 -0.77 0.00 0.00 57.85 57.56 1brz n ARG 43 Cb 1.58 -4.75 -0.05 0.00 -1.02 0.00 0.00 32.46 28.21 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1brz s ASN 44 N -1.97 6.59 -0.25 0.55 0.01 -1.26 -4.55 114.94 114.06 1brz s ASN 44 Ca 0.00 0.72 -0.19 0.00 -0.71 0.00 0.00 52.86 52.68 1brz s ASN 44 Cb 0.00 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 1brz s ASN 44 CO 0.00 0.16 0.55 -1.48 -1.51 0.00 0.00 177.10 174.83 1brz s LEU 45 N -2.02 4.07 0.06 0.60 2.34 -1.26 0.19 118.68 122.66 1brz s LEU 45 Ca 0.34 0.61 -0.02 0.00 0.06 0.00 0.00 54.13 55.11 1brz s LEU 45 Cb -0.13 -2.73 -0.04 0.00 -0.56 0.00 0.00 46.19 42.72 1brz s LEU 45 CO 0.19 -0.29 0.25 -1.10 -1.06 0.00 0.00 176.35 174.34 1brz s GLN 46 N 2.25 3.50 -0.77 1.48 -0.21 -0.40 -4.64 119.66 120.86 1brz s GLN 46 Ca 0.23 -0.29 -0.26 0.00 0.02 0.00 0.00 55.36 55.06 1brz s GLN 46 Cb -0.16 -3.01 0.03 0.00 1.00 0.00 0.00 33.01 30.87 1brz s GLN 46 CO 0.09 0.59 1.39 0.00 -2.12 0.00 0.00 175.29 175.24 1brz s ILE 48 N 6.11 4.82 -0.26 0.00 1.01 0.13 -0.36 121.20 132.65 1brz s ILE 48 Ca 0.41 1.03 -0.14 0.00 0.00 0.00 0.00 60.65 61.96 1brz s ILE 48 Cb -0.07 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1brz s ILE 48 CO 0.11 -0.25 0.33 0.00 0.00 0.00 0.00 174.94 175.13 1brz s ASP 50 N 1.56 6.46 -0.13 0.00 2.15 0.21 -0.96 116.67 125.95 1brz s ASP 50 Ca 0.14 0.54 0.14 0.00 0.43 0.00 0.00 52.55 53.80 1brz s ASP 50 Cb -0.16 -2.15 -0.20 0.00 -0.30 0.00 0.00 42.92 40.11 1brz s ASP 50 CO 0.10 0.24 0.10 -1.22 -0.17 0.00 0.00 175.17 174.22 1brz n TYR 51 N 2.81 0.00 -3.08 -5.34 4.02 0.18 -0.31 117.16 115.43 1brz n TYR 51 Ca -0.15 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.55 1brz n TYR 51 Cb 0.53 -0.71 -0.03 0.00 -0.02 0.00 0.00 39.34 39.11 1brz n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1brz n GLU 53 N 1.20 0.00 0.00 0.00 4.07 -1.26 -4.62 120.64 120.03 1brz n GLU 53 Ca 0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 1brz n GLU 53 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73