#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sgb h SER 9 N 2.31 0.48 0.00 0.00 4.64 -2.03 -3.19 113.55 115.75 3sgb h SER 9 Ca 0.37 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3sgb h SER 9 Cb 1.28 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3sgb h SER 9 CO 0.85 1.24 0.00 -0.62 -0.87 0.00 0.00 176.83 177.43 3sgb n GLU 10 N -3.68 0.96 -4.52 4.77 1.02 -1.26 -4.85 120.64 113.08 3sgb n GLU 10 Ca -0.07 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.82 3sgb n GLU 10 Cb 0.89 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.73 3sgb n GLU 10 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3sgb s TYR 11 N -1.02 2.30 0.80 -0.32 2.02 -1.21 -4.58 117.35 115.34 3sgb s TYR 11 Ca 0.00 -0.56 -0.11 0.00 -0.37 0.00 0.00 57.07 56.02 3sgb s TYR 11 Cb 0.00 -1.34 0.07 0.00 -0.40 0.00 0.00 41.96 40.29 3sgb s TYR 11 CO 0.00 0.50 1.09 -1.25 -1.57 0.00 0.00 175.55 174.31 3sgb s PRO 12 N -3.65 2.08 -0.01 -1.71 0.04 -1.26 -5.06 135.00 125.43 3sgb s PRO 12 Ca 0.32 0.81 0.08 0.00 0.04 0.00 0.00 61.00 62.24 3sgb s PRO 12 Cb 0.03 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 3sgb s PRO 12 CO 0.15 -1.67 -0.24 0.15 0.04 0.00 0.00 177.00 175.43 3sgb s LYS 13 N -5.05 1.93 0.51 4.56 1.02 -1.26 -5.04 119.74 116.40 3sgb s LYS 13 Ca 0.61 -0.90 0.29 0.00 0.02 0.00 0.00 55.97 55.98 3sgb s LYS 13 Cb -0.15 -1.90 1.30 0.00 -0.52 0.00 0.00 37.83 36.56 3sgb s LYS 13 CO 0.55 0.52 1.98 -1.00 -0.92 0.00 0.00 175.35 176.48 3sgb h PRO 14 N 5.41 0.00 -2.94 -1.68 0.13 -2.02 -3.45 132.00 127.44 3sgb h PRO 14 Ca -0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 3sgb h PRO 14 Cb 1.13 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.12 3sgb h PRO 14 CO 0.47 0.13 0.13 0.00 -0.23 0.00 0.00 178.00 178.49 3sgb s ALA 15 N -3.87 -1.45 0.05 -0.56 0.00 -1.26 -5.17 121.76 109.50 3sgb s ALA 15 Ca -0.01 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.49 3sgb s ALA 15 Cb 0.11 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 3sgb s ALA 15 CO 0.58 -0.67 -0.16 0.00 0.00 0.00 0.00 175.76 175.51 3sgb s THR 17 N -0.93 3.21 -0.45 0.00 -4.23 -1.26 -4.99 115.64 106.99 3sgb s THR 17 Ca 0.03 0.42 0.04 0.00 -1.18 0.00 0.00 61.69 61.00 3sgb s THR 17 Cb -0.09 -2.88 0.43 0.00 1.34 0.00 0.00 72.50 71.31 3sgb s THR 17 CO 0.02 -0.49 1.31 0.18 -0.54 0.00 0.00 174.62 175.09 3sgb n LEU 18 N -3.41 5.31 -4.85 4.79 4.77 -1.26 -4.93 117.00 117.42 3sgb n LEU 18 Ca 0.10 -4.94 -0.32 0.00 -0.03 0.00 0.00 56.01 50.82 3sgb n LEU 18 Cb 0.53 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3sgb n LEU 18 CO 0.52 2.08 0.55 -1.83 -1.33 0.00 0.00 177.39 177.39 3sgb s GLU 19 N -3.64 3.95 -0.35 3.23 1.03 -1.26 -5.03 118.70 116.63 3sgb s GLU 19 Ca 0.51 0.78 -0.14 0.00 0.03 0.00 0.00 54.97 56.15 3sgb s GLU 19 Cb 0.42 -2.28 -0.01 0.00 -0.80 0.00 0.00 34.13 31.46 3sgb s GLU 19 CO -0.12 -0.08 0.30 -0.47 -1.33 0.00 0.00 175.26 173.57 3sgb s TYR 20 N -2.35 3.22 -0.35 4.83 6.14 -1.26 -4.55 117.35 123.03 3sgb s TYR 20 Ca 0.56 -0.16 0.02 0.00 0.64 0.00 0.00 57.07 58.13 3sgb s TYR 20 Cb -0.10 -2.58 0.15 0.00 0.42 0.00 0.00 41.96 39.85 3sgb s TYR 20 CO 0.26 -0.42 0.37 1.03 0.64 0.00 0.00 175.55 177.43 3sgb s ARG 21 N 1.86 0.55 0.55 4.97 0.52 0.11 -5.02 118.95 122.49 3sgb s ARG 21 Ca 0.09 -0.57 -0.18 0.00 -0.52 0.00 0.00 55.73 54.55 3sgb s ARG 21 Cb -0.17 -0.63 -0.05 0.00 0.52 0.00 0.00 34.95 34.62 3sgb s ARG 21 CO 0.11 -1.14 1.06 -1.25 0.02 0.00 0.00 175.30 174.11 3sgb s PRO 22 N 1.78 3.46 0.11 3.54 0.04 -1.24 -3.92 135.00 138.77 3sgb s PRO 22 Ca 0.14 1.34 0.05 0.00 0.04 0.00 0.00 61.00 62.57 3sgb s PRO 22 Cb -0.14 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3sgb s PRO 22 CO -0.13 -0.71 -0.13 -0.51 0.04 0.00 0.00 177.00 175.56 3sgb s LEU 23 N -4.05 2.39 -0.23 -3.56 1.43 -0.00 -1.60 118.68 113.06 3sgb s LEU 23 Ca 0.67 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3sgb s LEU 23 Cb -0.18 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.59 3sgb s LEU 23 CO 0.29 -0.18 -0.05 0.00 0.23 0.00 0.00 176.35 176.65 3sgb s GLY 25 N 1.43 1.62 0.08 0.00 0.00 -0.36 -0.68 107.32 109.42 3sgb s GLY 25 Ca 0.04 -0.37 0.16 0.00 0.00 0.00 0.00 44.72 44.55 3sgb s GLY 25 CO -0.04 -0.04 1.50 -1.14 0.00 0.00 0.00 173.10 173.39 3sgb n SER 26 N -2.88 0.20 -0.55 1.64 3.41 0.74 -0.83 113.62 115.35 3sgb n SER 26 Ca 0.06 0.55 0.10 0.00 -0.26 0.00 0.00 58.87 59.33 3sgb n SER 26 Cb 0.57 -0.60 0.38 0.00 -0.26 0.00 0.00 64.21 64.30 3sgb n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3sgb n ASP 27 N -1.73 1.65 -1.04 4.04 5.75 -1.26 -4.91 116.55 119.05 3sgb n ASP 27 Ca 0.03 -1.71 -0.13 0.00 -0.01 0.00 0.00 54.79 52.97 3sgb n ASP 27 Cb 0.17 -0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 40.10 3sgb n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3sgb n ASN 28 N 0.31 -4.52 -4.78 -1.12 3.02 -0.01 -5.00 115.26 103.16 3sgb n ASN 28 Ca 0.16 0.29 -0.36 0.00 -0.03 0.00 0.00 54.58 54.64 3sgb n ASN 28 Cb 0.33 -3.21 -0.07 0.00 -0.61 0.00 0.00 39.78 36.22 3sgb n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3sgb s LYS 29 N -3.23 3.70 -0.11 3.52 2.20 -1.25 -4.88 119.74 119.69 3sgb s LYS 29 Ca 0.00 -0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 3sgb s LYS 29 Cb 0.00 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.08 3sgb s LYS 29 CO 0.00 0.55 1.15 0.99 -0.36 0.00 0.00 175.35 177.68 3sgb s THR 30 N -0.39 4.43 -0.16 3.43 2.01 -1.26 -1.22 115.64 122.47 3sgb s THR 30 Ca 0.11 1.73 -0.14 0.00 0.31 0.00 0.00 61.69 63.70 3sgb s THR 30 Cb -0.12 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 3sgb s THR 30 CO 0.01 -0.05 0.31 -0.31 -0.69 0.00 0.00 174.62 173.90 3sgb s TYR 31 N 2.56 3.45 0.45 4.92 2.02 0.21 -4.95 117.35 126.01 3sgb s TYR 31 Ca 0.52 0.61 0.16 0.00 -0.37 0.00 0.00 57.07 57.99 3sgb s TYR 31 Cb -0.21 -2.37 1.06 0.00 -0.40 0.00 0.00 41.96 40.03 3sgb s TYR 31 CO 0.17 0.20 2.00 0.78 -1.57 0.00 0.00 175.55 177.14 3sgb h GLY 32 N 6.81 0.00 -1.80 0.71 0.00 -1.88 0.03 103.07 106.94 3sgb h GLY 32 Ca -0.40 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.00 3sgb h GLY 32 CO 0.75 0.00 0.30 0.54 0.00 0.00 0.00 176.54 178.13 3sgb s ASN 33 N -6.91 -0.17 0.31 0.19 2.20 -1.25 0.05 114.94 109.37 3sgb s ASN 33 Ca -0.04 -0.72 0.02 0.00 -0.94 0.00 0.00 52.86 51.18 3sgb s ASN 33 Cb 0.15 0.71 0.51 0.00 -2.00 0.00 0.00 41.25 40.62 3sgb s ASN 33 CO 0.68 -1.35 1.86 0.50 -2.94 0.00 0.00 177.10 175.85 3sgb h LYS 34 N 2.00 0.69 -0.67 3.55 3.64 -1.89 -1.25 116.57 122.64 3sgb h LYS 34 Ca -0.24 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 3sgb h LYS 34 Cb 1.25 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 3sgb h LYS 34 CO 0.29 0.65 0.12 0.00 -2.27 0.00 0.00 179.45 178.23 3sgb h ASN 36 N 1.02 0.52 0.02 0.00 4.21 -1.80 -2.09 115.58 117.47 3sgb h ASN 36 Ca 0.20 -0.23 0.02 0.00 1.21 0.00 0.00 56.30 57.51 3sgb h ASN 36 Cb 0.43 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.47 3sgb h ASN 36 CO 0.01 0.61 -0.14 0.15 -1.29 0.00 0.00 177.43 176.77 3sgb h PHE 37 N 0.40 -0.35 -0.55 1.19 3.57 -1.02 -2.05 116.94 118.12 3sgb h PHE 37 Ca 0.11 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3sgb h PHE 37 Cb 0.29 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 3sgb h PHE 37 CO 0.01 -0.21 0.33 0.00 -2.23 0.00 0.00 178.31 176.22 3sgb h ASN 39 N 0.76 0.56 -0.37 0.00 2.35 -1.21 -0.93 115.58 116.73 3sgb h ASN 39 Ca 0.20 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 3sgb h ASN 39 Cb -0.03 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3sgb h ASN 39 CO -0.04 0.49 -0.04 0.00 -1.65 0.00 0.00 177.43 176.19 3sgb h ALA 40 N 1.09 1.08 -0.24 -0.83 0.00 -0.58 -1.69 119.26 118.10 3sgb h ALA 40 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3sgb h ALA 40 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3sgb h ALA 40 CO -0.02 0.57 0.15 0.28 0.00 0.00 0.00 179.25 180.23 3sgb h VAL 41 N 0.71 1.07 0.03 0.00 2.07 -0.84 -1.05 116.25 118.25 3sgb h VAL 41 Ca 0.13 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3sgb h VAL 41 Cb 0.49 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3sgb h VAL 41 CO 0.02 0.07 -0.09 0.58 0.02 0.00 0.00 177.57 178.18 3sgb h VAL 42 N 0.31 0.79 -0.76 2.57 2.07 -0.89 -1.36 116.25 118.99 3sgb h VAL 42 Ca 0.09 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.79 3sgb h VAL 42 Cb -0.02 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3sgb h VAL 42 CO -0.02 0.00 0.52 -0.08 0.02 0.00 0.00 177.57 178.01 3sgb h GLU 43 N -0.16 0.22 -0.01 1.57 4.81 -1.15 0.09 114.58 119.95 3sgb h GLU 43 Ca 0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3sgb h GLU 43 Cb 0.19 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3sgb h GLU 43 CO -0.07 0.15 -0.03 -1.13 -0.73 0.00 0.00 179.01 177.19 3sgb n SER 44 N -4.42 0.99 -3.19 1.04 3.41 -0.41 -4.91 113.62 106.13 3sgb n SER 44 Ca 0.15 -1.22 -0.22 0.00 -0.26 0.00 0.00 58.87 57.32 3sgb n SER 44 Cb 0.67 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.68 3sgb n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3sgb n ASN 45 N -0.30 -6.01 0.00 4.04 5.15 0.02 -2.65 115.26 115.50 3sgb n ASN 45 Ca 0.19 -0.42 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 3sgb n ASN 45 Cb 0.29 -4.70 0.00 0.00 -0.53 0.00 0.00 39.78 34.84 3sgb n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3sgb n GLY 46 N -1.76 0.44 0.08 8.20 0.00 -0.83 -4.95 105.19 106.37 3sgb n GLY 46 Ca -0.03 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 3sgb n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3sgb h THR 47 N 0.00 1.39 -3.71 2.61 2.02 -1.71 -3.46 112.91 110.05 3sgb h THR 47 Ca 0.00 -3.09 -0.50 0.00 0.77 0.00 0.00 66.41 63.60 3sgb h THR 47 Cb 0.00 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 3sgb h THR 47 CO 0.00 0.84 0.37 -0.22 0.37 0.00 0.00 175.52 176.88 3sgb s LEU 48 N -6.72 4.60 0.22 2.58 2.96 -1.26 -5.05 118.68 116.00 3sgb s LEU 48 Ca -0.03 1.96 0.01 0.00 -0.22 0.00 0.00 54.13 55.85 3sgb s LEU 48 Cb 0.08 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 3sgb s LEU 48 CO 0.84 0.06 0.06 0.42 -1.32 0.00 0.00 176.35 176.41 3sgb s THR 49 N -0.87 0.56 -0.14 3.68 -4.23 -1.26 -4.84 115.64 108.54 3sgb s THR 49 Ca 0.43 -1.99 -0.22 0.00 -1.18 0.00 0.00 61.69 58.73 3sgb s THR 49 Cb -0.26 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 3sgb s THR 49 CO 0.33 -0.18 0.68 -0.22 -0.54 0.00 0.00 174.62 174.69 3sgb s LEU 50 N -3.25 4.22 -0.13 4.79 2.96 -1.26 -0.19 118.68 125.82 3sgb s LEU 50 Ca 0.33 1.01 -0.20 0.00 -0.22 0.00 0.00 54.13 55.06 3sgb s LEU 50 Cb 0.07 -3.01 -0.17 0.00 0.50 0.00 0.00 46.19 43.58 3sgb s LEU 50 CO 0.10 -0.23 0.50 -1.28 -1.32 0.00 0.00 176.35 174.12 3sgb h SER 51 N 7.16 0.00 -5.28 3.68 0.87 -1.13 -3.45 113.55 115.39 3sgb h SER 51 Ca -0.35 -0.66 0.19 0.00 -1.23 0.00 0.00 61.79 59.74 3sgb h SER 51 Cb 1.16 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.03 3sgb h SER 51 CO 0.78 0.86 0.53 -1.38 -0.53 0.00 0.00 176.83 177.08 3sgb s HIS 52 N -2.02 -0.15 0.49 2.24 0.00 -1.13 -5.03 115.29 109.70 3sgb s HIS 52 Ca -0.13 -0.11 -0.18 0.00 -3.00 0.00 0.00 55.06 51.63 3sgb s HIS 52 Cb -0.02 0.62 -0.09 0.00 -4.00 0.00 0.00 32.58 29.09 3sgb s HIS 52 CO 0.47 -0.73 0.98 -0.06 -1.00 0.00 0.00 174.74 174.40 3sgb s PHE 53 N -3.16 3.34 0.00 0.38 0.40 -1.26 -0.65 117.98 117.03 3sgb s PHE 53 Ca 0.12 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.97 3sgb s PHE 53 Cb -0.01 -2.84 0.00 0.00 0.51 0.00 0.00 43.02 40.68 3sgb s PHE 53 CO 0.00 -0.36 0.00 0.41 0.70 0.00 0.00 175.22 175.97 3sgb n GLY 54 N -1.13 -2.99 3.72 4.36 0.00 -0.63 -4.79 105.19 103.73 3sgb n GLY 54 Ca 0.07 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 3sgb n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sgb s LYS 55 N -0.71 1.94 0.00 1.61 1.02 -1.26 -2.30 119.74 120.04 3sgb s LYS 55 Ca 0.00 1.64 0.27 0.00 0.02 0.00 0.00 55.97 57.90 3sgb s LYS 55 Cb 0.00 -1.82 1.60 0.00 -0.52 0.00 0.00 37.83 37.08 3sgb s LYS 55 CO 0.00 -1.96 1.95 0.00 -0.92 0.00 0.00 175.35 174.42