#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brz s LYS 3 N 0.00 3.58 0.52 0.11 2.20 -1.26 -4.91 119.74 119.98 1brz s LYS 3 Ca 0.00 0.18 0.37 0.00 -0.36 0.00 0.00 55.97 56.15 1brz s LYS 3 Cb 0.00 -3.89 1.52 0.00 -1.51 0.00 0.00 37.83 33.95 1brz s LYS 3 CO 0.00 -1.10 1.73 0.00 -0.36 0.00 0.00 175.35 175.62 1brz s LYS 5 N -5.04 4.26 -0.12 0.00 1.02 -1.26 -0.71 119.74 117.89 1brz s LYS 5 Ca -0.06 0.56 -0.05 0.00 0.02 0.00 0.00 55.97 56.44 1brz s LYS 5 Cb 0.25 -3.36 0.06 0.00 -0.52 0.00 0.00 37.83 34.25 1brz s LYS 5 CO 0.83 0.33 0.26 0.15 -0.92 0.00 0.00 175.35 175.99 1brz s LYS 6 N 0.02 0.16 0.52 1.68 3.01 -0.29 -4.97 119.74 119.87 1brz s LYS 6 Ca 0.28 0.69 -0.23 0.00 -1.01 0.00 0.00 55.97 55.70 1brz s LYS 6 Cb -0.17 -0.06 -0.06 0.00 -1.01 0.00 0.00 37.83 36.54 1brz s LYS 6 CO 0.14 -0.25 1.37 0.14 0.51 0.00 0.00 175.35 177.25 1brz s VAL 7 N 2.12 2.10 -1.40 3.17 -7.23 -1.26 -1.13 120.40 116.77 1brz s VAL 7 Ca -0.01 0.08 -0.07 0.00 -1.81 0.00 0.00 61.98 60.17 1brz s VAL 7 Cb -0.12 -3.04 0.07 0.00 0.56 0.00 0.00 36.38 33.85 1brz s VAL 7 CO -0.09 0.00 2.51 0.00 -0.31 0.00 0.00 175.10 177.22 1brz n TYR 8 N -0.77 2.57 0.00 2.82 9.36 0.22 -4.83 117.16 126.52 1brz n TYR 8 Ca 0.09 -2.89 0.00 0.00 3.32 0.00 0.00 57.90 58.42 1brz n TYR 8 Cb 0.44 -2.01 0.00 0.00 -0.63 0.00 0.00 39.34 37.15 1brz n TYR 8 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1brz n GLU 9 N 2.26 0.00 0.00 2.98 1.02 -1.26 -0.86 120.64 124.78 1brz n GLU 9 Ca 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1brz n GLU 9 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 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 -2.11 0.00 -4.61 1.62 0.23 -1.26 -4.74 115.26 104.38 1brz n ASN 10 Ca 0.00 -0.45 -0.47 0.00 -0.53 0.00 0.00 54.58 53.13 1brz n ASN 10 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1brz n TYR 11 N 1.43 1.61 -0.68 -2.53 9.36 -0.04 -4.45 117.16 121.87 1brz n TYR 11 Ca 0.00 0.59 -0.06 0.00 3.32 0.00 0.00 57.90 61.75 1brz n TYR 11 Cb 0.00 -2.34 -0.06 0.00 -0.63 0.00 0.00 39.34 36.31 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1brz n PRO 12 N 1.74 0.00 0.19 2.98 -0.02 -1.26 -4.61 135.00 134.02 1brz n PRO 12 Ca 0.13 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.71 1brz n PRO 12 Cb 0.28 -0.55 0.55 0.00 -0.02 0.00 0.00 33.50 33.76 1brz n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1brz h VAL 13 N 3.83 0.00 0.00 -1.45 2.07 -1.79 -3.31 116.25 115.61 1brz h VAL 13 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1brz h VAL 13 Cb 0.58 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1brz h VAL 13 CO 0.72 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.77 1brz n SER 14 N -2.28 0.00 -4.76 0.57 3.41 -1.26 -4.51 113.62 104.79 1brz n SER 14 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.26 1brz n SER 14 Cb 0.20 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.19 1brz n SER 14 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1brz s LYS 15 N 0.00 2.80 0.03 4.33 1.02 -1.25 -4.86 119.74 121.81 1brz s LYS 15 Ca 0.00 1.56 0.00 0.00 0.02 0.00 0.00 55.97 57.55 1brz s LYS 15 Cb 0.00 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1brz s LYS 15 CO 0.00 -1.28 0.00 0.00 -0.92 0.00 0.00 175.35 173.15 1brz n GLN 17 N -2.05 -1.82 -3.19 0.00 1.13 -1.26 -3.40 117.38 106.78 1brz n GLN 17 Ca 0.00 0.87 -0.26 0.00 -1.94 0.00 0.00 57.00 55.66 1brz n GLN 17 Cb 0.00 -5.45 0.02 0.00 0.11 0.00 0.00 30.24 24.92 1brz n GLN 17 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1brz n LEU 18 N -2.78 -1.70 0.00 1.08 4.77 -1.26 -4.87 117.00 112.24 1brz n LEU 18 Ca -0.20 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1brz n LEU 18 Cb 0.64 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1brz n LEU 18 CO 0.24 0.14 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 1brz n ALA 19 N -0.97 0.00 -0.06 -1.18 0.00 -1.22 -4.98 120.51 112.10 1brz n ALA 19 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1brz n ALA 19 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.67 115.26 117.38 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 0.06 1.20 1.13 -1.26 0.76 117.38 119.26 1brz n GLN 21 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 1brz n GLN 21 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 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 -0.17 -1.69 -0.50 0.00 -1.24 0.27 0.29 115.58 112.55 1brz h ASN 23 Ca -0.01 0.21 0.10 0.00 0.71 0.00 0.00 56.30 57.30 1brz h ASN 23 Cb 0.14 0.67 -0.08 0.00 0.73 0.00 0.00 38.32 39.77 1brz h ASN 23 CO 0.01 -0.47 0.01 0.22 -1.29 0.00 0.00 177.43 175.92 1brz h TYR 24 N -0.55 -0.01 0.10 0.67 3.20 0.25 0.14 116.97 120.77 1brz h TYR 24 Ca 0.05 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1brz h TYR 24 Cb 0.67 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 1brz h TYR 24 CO -0.59 -0.10 -0.51 -0.44 -1.64 0.00 0.00 178.16 174.88 1brz h ASP 25 N 0.13 -1.53 -0.08 -2.11 3.32 0.16 -1.78 116.42 114.53 1brz h ASP 25 Ca 0.25 0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.50 1brz h ASP 25 Cb 0.37 0.57 -0.05 0.00 0.22 0.00 0.00 39.33 40.44 1brz h ASP 25 CO -0.41 -0.53 -0.26 0.00 -1.72 0.00 0.00 179.24 176.32 1brz n LYS 27 N -5.38 0.04 0.04 0.00 4.81 0.44 -1.01 118.16 117.10 1brz n LYS 27 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1brz n LYS 27 Cb 0.29 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.33 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 -0.08 -0.74 0.17 3.14 -0.00 0.11 -4.71 117.00 114.90 1brz n LEU 28 Ca 0.00 0.18 0.13 0.00 -0.00 0.00 0.00 56.01 56.33 1brz n LEU 28 Cb 0.00 1.00 0.60 0.00 -0.00 0.00 0.00 43.42 45.02 1brz n LEU 28 CO 0.00 -0.24 0.89 0.44 -0.00 0.00 0.00 177.39 178.48 1brz h ASP 29 N 0.00 0.00 0.00 1.96 5.19 0.76 -2.83 116.42 121.50 1brz h ASP 29 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1brz h ASP 29 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1brz h ASP 29 CO 0.00 0.00 -0.11 0.29 -3.12 0.00 0.00 179.24 176.30 1brz n LYS 30 N -2.41 0.70 -3.62 3.56 4.01 -1.15 -4.98 118.16 114.28 1brz n LYS 30 Ca 0.00 -0.99 -0.26 0.00 -0.51 0.00 0.00 58.31 56.55 1brz n LYS 30 Cb 0.16 -0.69 -0.02 0.00 -0.51 0.00 0.00 35.03 33.98 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1brz n HIS 31 N -0.23 -1.70 -1.83 2.13 8.25 -1.07 -4.93 115.22 115.85 1brz n HIS 31 Ca 0.01 0.51 -0.08 0.00 -0.26 0.00 0.00 57.72 57.91 1brz n HIS 31 Cb 0.51 -2.54 0.05 0.00 1.12 0.00 0.00 29.99 29.13 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1brz n ALA 32 N -3.65 -0.19 -0.10 -1.41 0.00 -0.18 -4.93 120.51 110.05 1brz n ALA 32 Ca 0.03 -0.56 -0.23 0.00 0.00 0.00 0.00 53.44 52.68 1brz n ALA 32 Cb 0.51 0.04 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1brz n ALA 32 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1brz n ARG 33 N -1.70 0.63 -3.63 0.00 0.63 0.15 -4.46 116.66 108.29 1brz n ARG 33 Ca 0.05 0.30 -0.03 0.00 -0.92 0.00 0.00 57.85 57.25 1brz n ARG 33 Cb 0.18 -1.60 -0.03 0.00 0.45 0.00 0.00 32.46 31.46 1brz n ARG 33 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1brz s SER 34 N -7.01 -0.08 0.00 6.15 1.04 -0.65 -4.76 113.70 108.39 1brz s SER 34 Ca -0.33 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1brz s SER 34 Cb 0.10 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1brz s SER 34 CO 0.60 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.33 1brz n GLY 35 N 0.27 2.46 3.82 7.32 0.00 -1.26 0.11 105.19 117.90 1brz n GLY 35 Ca 0.01 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.18 1brz n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1brz s GLU 36 N -0.46 0.29 0.27 1.61 2.02 -0.28 -4.35 118.70 117.79 1brz s GLU 36 Ca 0.00 -0.18 -0.13 0.00 0.02 0.00 0.00 54.97 54.68 1brz s GLU 36 Cb 0.00 0.09 -0.08 0.00 0.10 0.00 0.00 34.13 34.24 1brz s GLU 36 CO 0.00 -0.13 0.65 0.00 0.02 0.00 0.00 175.26 175.79 1brz s PHE 38 N -1.87 -0.24 0.00 0.00 0.40 0.13 -4.88 117.98 111.53 1brz s PHE 38 Ca 0.50 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 1brz s PHE 38 Cb -0.11 0.10 0.00 0.00 0.51 0.00 0.00 43.02 43.51 1brz s PHE 38 CO 0.19 -0.29 0.00 0.66 0.70 0.00 0.00 175.22 176.48 1brz n TYR 39 N 1.99 0.00 -2.24 0.36 4.01 -1.24 0.45 117.16 120.48 1brz n TYR 39 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1brz n TYR 39 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1brz n TYR 39 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1brz n ASP 40 N 0.00 -2.32 -3.60 7.72 5.68 -1.26 -3.92 116.55 118.86 1brz n ASP 40 Ca 0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.13 1brz n ASP 40 Cb 0.00 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 1brz n ASP 40 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1brz n GLU 41 N -0.65 -0.69 -2.34 0.11 4.07 -1.26 -1.26 120.64 118.61 1brz n GLU 41 Ca 0.00 -0.12 -0.03 0.00 -0.06 0.00 0.00 57.16 56.95 1brz n GLU 41 Cb 0.00 -0.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.89 1brz n GLU 41 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1brz n LYS 42 N -2.15 -0.88 -2.36 5.31 4.81 -1.26 -3.51 118.16 118.12 1brz n LYS 42 Ca -0.07 0.79 -0.10 0.00 -0.87 0.00 0.00 58.31 58.06 1brz n LYS 42 Cb 0.23 -3.72 -0.02 0.00 0.02 0.00 0.00 35.03 31.55 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1brz n ARG 43 N -1.80 -1.76 -3.51 1.64 5.12 -0.86 -4.83 116.66 110.66 1brz n ARG 43 Ca -0.01 0.03 -0.37 0.00 -1.93 0.00 0.00 57.85 55.57 1brz n ARG 43 Cb 0.53 -2.92 -0.07 0.00 -1.16 0.00 0.00 32.46 28.84 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1brz s ASN 44 N -1.68 6.46 -1.08 0.55 -0.87 -0.39 -4.88 114.94 113.05 1brz s ASN 44 Ca 0.19 0.54 -0.19 0.00 -1.57 0.00 0.00 52.86 51.82 1brz s ASN 44 Cb -0.11 -2.19 0.09 0.00 -0.02 0.00 0.00 41.25 39.02 1brz s ASN 44 CO 0.23 0.08 1.42 -0.76 -2.57 0.00 0.00 177.10 175.50 1brz s LEU 45 N 0.51 4.23 0.41 0.60 1.02 -1.25 -3.71 118.68 120.49 1brz s LEU 45 Ca 0.18 -2.06 -0.04 0.00 0.02 0.00 0.00 54.13 52.22 1brz s LEU 45 Cb -0.13 -2.50 -0.04 0.00 0.02 0.00 0.00 46.19 43.54 1brz s LEU 45 CO 0.05 -1.20 0.69 -1.10 0.02 0.00 0.00 176.35 174.81 1brz s GLN 46 N 3.67 3.57 -0.43 1.70 -0.21 0.17 -4.49 119.66 123.66 1brz s GLN 46 Ca 0.44 0.08 -0.15 0.00 0.02 0.00 0.00 55.36 55.74 1brz s GLN 46 Cb -0.01 -2.49 0.03 0.00 1.00 0.00 0.00 33.01 31.54 1brz s GLN 46 CO -0.05 -0.03 0.33 0.00 -2.12 0.00 0.00 175.29 173.43 1brz s ILE 48 N 1.72 4.52 -0.25 0.00 1.01 0.21 0.69 121.20 129.10 1brz s ILE 48 Ca 0.05 0.69 -0.13 0.00 0.00 0.00 0.00 60.65 61.26 1brz s ILE 48 Cb -0.20 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 1brz s ILE 48 CO 0.10 -0.80 0.29 0.00 0.00 0.00 0.00 174.94 174.53 1brz s ASP 50 N 1.44 6.36 -0.61 0.00 -4.77 0.30 -1.14 116.67 118.26 1brz s ASP 50 Ca 0.12 0.43 0.06 0.00 -3.30 0.00 0.00 52.55 49.86 1brz s ASP 50 Cb -0.15 -2.11 0.28 0.00 -1.09 0.00 0.00 42.92 39.85 1brz s ASP 50 CO 0.09 0.27 0.81 -1.22 0.70 0.00 0.00 175.17 175.82 1brz n TYR 51 N 2.77 3.61 -1.11 2.11 4.02 0.12 0.35 117.16 129.03 1brz n TYR 51 Ca -0.17 -4.08 -0.16 0.00 -0.01 0.00 0.00 57.90 53.48 1brz n TYR 51 Cb 0.53 -0.53 0.23 0.00 -0.02 0.00 0.00 39.34 39.56 1brz n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1brz s GLU 53 N -3.12 3.83 0.00 0.00 -1.05 -1.26 -5.06 118.70 112.04 1brz s GLU 53 Ca 0.55 0.69 0.00 0.00 -0.15 0.00 0.00 54.97 56.07 1brz s GLU 53 Cb 0.46 -3.84 0.00 0.00 -0.44 0.00 0.00 34.13 30.31 1brz s GLU 53 CO 0.12 -1.16 0.00 0.98 0.95 0.00 0.00 175.26 176.15