#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sgq s ASP 7 N 0.00 4.54 -0.20 6.55 2.15 -1.26 -5.03 116.67 123.42 3sgq s ASP 7 Ca 0.00 -0.22 0.15 0.00 0.43 0.00 0.00 52.55 52.91 3sgq s ASP 7 Cb 0.00 -1.74 0.68 0.00 -0.30 0.00 0.00 42.92 41.56 3sgq s ASP 7 CO 0.00 0.13 1.59 0.00 -0.17 0.00 0.00 175.17 176.72 3sgq h SER 9 N 3.03 0.12 0.00 0.00 4.64 -1.97 -0.87 113.55 118.49 3sgq h SER 9 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3sgq h SER 9 Cb 1.69 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 3sgq h SER 9 CO 0.35 0.06 0.00 -0.62 -0.87 0.00 0.00 176.83 175.75 3sgq n GLU 10 N -5.07 0.63 -2.95 4.77 4.71 -1.26 -4.73 120.64 116.74 3sgq n GLU 10 Ca 0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 57.01 3sgq n GLU 10 Cb 0.33 -1.25 0.01 0.00 -1.01 0.00 0.00 31.44 29.51 3sgq n GLU 10 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3sgq s TYR 11 N -2.00 3.30 0.75 -0.32 1.51 -0.33 -4.64 117.35 115.61 3sgq s TYR 11 Ca 0.16 0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 56.45 3sgq s TYR 11 Cb 0.07 -2.29 0.06 0.00 -0.11 0.00 0.00 41.96 39.69 3sgq s TYR 11 CO 0.12 -0.33 1.11 -1.25 -1.11 0.00 0.00 175.55 174.09 3sgq s PRO 12 N -4.58 2.20 -0.05 -1.71 0.04 -1.26 -5.04 135.00 124.60 3sgq s PRO 12 Ca 0.48 0.05 0.06 0.00 0.04 0.00 0.00 61.00 61.62 3sgq s PRO 12 Cb -0.10 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 3sgq s PRO 12 CO 0.39 -1.38 -0.22 0.15 0.04 0.00 0.00 177.00 175.98 3sgq s LYS 13 N -5.43 2.22 0.40 4.56 1.02 -1.26 -5.03 119.74 116.22 3sgq s LYS 13 Ca 0.61 -0.81 0.09 0.00 0.02 0.00 0.00 55.97 55.88 3sgq s LYS 13 Cb -0.11 -1.93 0.82 0.00 -0.52 0.00 0.00 37.83 36.10 3sgq s LYS 13 CO 0.48 0.36 1.96 -1.00 -0.92 0.00 0.00 175.35 176.22 3sgq h PRO 14 N 6.04 0.29 -3.56 -1.68 0.13 -2.02 -3.45 132.00 127.76 3sgq h PRO 14 Ca -0.33 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.65 3sgq h PRO 14 Cb 1.17 -0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.09 3sgq h PRO 14 CO 0.47 0.36 -0.34 0.00 -0.23 0.00 0.00 178.00 178.26 3sgq s ALA 15 N -4.90 -0.43 0.03 -0.56 0.00 -1.26 -5.16 121.76 109.48 3sgq s ALA 15 Ca -0.06 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 51.68 3sgq s ALA 15 Cb 0.16 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 3sgq s ALA 15 CO 0.73 -0.43 -0.23 0.00 0.00 0.00 0.00 175.76 175.83 3sgq s THR 17 N -0.73 2.85 -0.31 0.00 -4.23 -1.26 -4.98 115.64 106.97 3sgq s THR 17 Ca 0.09 0.27 0.07 0.00 -1.18 0.00 0.00 61.69 60.94 3sgq s THR 17 Cb -0.09 -2.83 0.46 0.00 1.34 0.00 0.00 72.50 71.38 3sgq s THR 17 CO 0.01 -0.36 1.21 0.00 -0.54 0.00 0.00 174.62 174.94 3sgq n GLN 18 N -3.72 3.59 -2.34 3.99 1.13 -1.26 -4.91 117.38 113.85 3sgq n GLN 18 Ca 0.07 -4.17 -0.28 0.00 -1.94 0.00 0.00 57.00 50.68 3sgq n GLN 18 Cb 0.55 -2.28 0.02 0.00 0.11 0.00 0.00 30.24 28.64 3sgq n GLN 18 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 3sgq s GLU 19 N -3.60 3.26 -0.30 -1.09 1.03 -1.26 -5.05 118.70 111.69 3sgq s GLU 19 Ca 0.51 0.25 -0.05 0.00 0.03 0.00 0.00 54.97 55.71 3sgq s GLU 19 Cb 0.41 -2.25 0.03 0.00 -0.80 0.00 0.00 34.13 31.52 3sgq s GLU 19 CO 0.02 -0.53 0.05 -0.47 -1.33 0.00 0.00 175.26 173.01 3sgq s TYR 20 N -2.97 3.18 -0.37 4.83 5.04 -1.26 -4.55 117.35 121.25 3sgq s TYR 20 Ca 0.52 -1.33 0.02 0.00 -2.44 0.00 0.00 57.07 53.84 3sgq s TYR 20 Cb -0.11 -2.21 0.15 0.00 0.35 0.00 0.00 41.96 40.15 3sgq s TYR 20 CO 0.47 -0.68 0.33 1.03 -1.34 0.00 0.00 175.55 175.36 3sgq s ARG 21 N 1.41 0.64 0.51 4.97 0.52 0.72 -5.03 118.95 122.69 3sgq s ARG 21 Ca -0.00 -1.11 -0.20 0.00 -0.52 0.00 0.00 55.73 53.90 3sgq s ARG 21 Cb -0.18 -0.94 -0.07 0.00 0.52 0.00 0.00 34.95 34.28 3sgq s ARG 21 CO 0.01 -1.22 1.06 -1.25 0.02 0.00 0.00 175.30 173.92 3sgq s PRO 22 N 1.20 3.65 0.11 3.54 0.04 -1.23 -3.77 135.00 138.55 3sgq s PRO 22 Ca 0.19 1.41 0.09 0.00 0.04 0.00 0.00 61.00 62.73 3sgq s PRO 22 Cb -0.16 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3sgq s PRO 22 CO -0.02 -0.57 -0.22 -0.51 0.04 0.00 0.00 177.00 175.72 3sgq s LEU 23 N -3.64 2.32 -0.25 -3.56 1.43 0.13 -0.58 118.68 114.52 3sgq s LEU 23 Ca 0.68 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3sgq s LEU 23 Cb -0.18 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 3sgq s LEU 23 CO 0.23 0.08 0.10 0.00 0.23 0.00 0.00 176.35 176.99 3sgq s GLY 25 N 1.56 1.63 0.00 0.00 0.00 0.24 -1.00 107.32 109.75 3sgq s GLY 25 Ca 0.06 -0.66 0.15 0.00 0.00 0.00 0.00 44.72 44.27 3sgq s GLY 25 CO 0.05 -0.27 1.41 -1.14 0.00 0.00 0.00 173.10 173.16 3sgq n SER 26 N -2.99 0.00 -1.33 1.64 3.41 0.26 -1.53 113.62 113.09 3sgq n SER 26 Ca 0.07 -0.04 0.08 0.00 -0.26 0.00 0.00 58.87 58.73 3sgq n SER 26 Cb 0.59 -0.23 0.31 0.00 -0.26 0.00 0.00 64.21 64.62 3sgq n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3sgq n ASP 27 N -1.23 4.46 -0.70 4.04 5.75 -1.26 -4.91 116.55 122.70 3sgq n ASP 27 Ca 0.08 -2.63 -0.09 0.00 -0.01 0.00 0.00 54.79 52.14 3sgq n ASP 27 Cb 0.11 -0.54 -0.04 0.00 -1.03 0.00 0.00 41.12 39.62 3sgq n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3sgq n ASN 28 N 0.51 -5.43 -4.79 -1.12 3.02 -0.58 -4.97 115.26 101.89 3sgq n ASN 28 Ca 0.23 0.23 -0.38 0.00 -0.03 0.00 0.00 54.58 54.63 3sgq n ASN 28 Cb 0.89 -3.73 -0.06 0.00 -0.61 0.00 0.00 39.78 36.26 3sgq n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3sgq s LYS 29 N -2.65 4.11 -0.28 3.52 2.20 -1.25 -4.87 119.74 120.51 3sgq s LYS 29 Ca 0.00 0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 55.79 3sgq s LYS 29 Cb 0.00 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 3sgq s LYS 29 CO 0.00 0.49 0.97 0.99 -0.36 0.00 0.00 175.35 177.44 3sgq s THR 30 N -0.46 4.66 -0.16 3.43 2.01 -1.26 -0.59 115.64 123.26 3sgq s THR 30 Ca 0.25 1.67 -0.14 0.00 0.31 0.00 0.00 61.69 63.78 3sgq s THR 30 Cb -0.16 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.01 3sgq s THR 30 CO 0.13 -0.30 0.30 -0.31 -0.69 0.00 0.00 174.62 173.75 3sgq s TYR 31 N 3.27 3.45 0.21 4.92 1.51 0.04 -4.94 117.35 125.82 3sgq s TYR 31 Ca 0.41 0.59 0.35 0.00 -1.01 0.00 0.00 57.07 57.41 3sgq s TYR 31 Cb -0.14 -2.35 1.55 0.00 -0.11 0.00 0.00 41.96 40.91 3sgq s TYR 31 CO 0.11 0.22 2.05 0.78 -1.11 0.00 0.00 175.55 177.61 3sgq h GLY 32 N 6.73 0.00 -3.21 0.71 0.00 -1.87 0.40 103.07 105.84 3sgq h GLY 32 Ca -0.41 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.99 3sgq h GLY 32 CO 0.76 0.00 0.41 0.54 0.00 0.00 0.00 176.54 178.24 3sgq s ASN 33 N -5.62 -0.42 0.31 0.19 2.20 -1.25 -0.20 114.94 110.15 3sgq s ASN 33 Ca -0.00 -0.02 0.04 0.00 -0.94 0.00 0.00 52.86 51.94 3sgq s ASN 33 Cb 0.10 0.46 0.63 0.00 -2.00 0.00 0.00 41.25 40.44 3sgq s ASN 33 CO 0.52 -0.74 1.88 0.50 -2.94 0.00 0.00 177.10 176.32 3sgq h LYS 34 N 2.00 0.88 -0.44 3.55 3.11 -1.89 -0.19 116.57 123.59 3sgq h LYS 34 Ca -0.26 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.48 3sgq h LYS 34 Cb 1.26 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 32.28 3sgq h LYS 34 CO 0.33 0.58 0.08 0.00 -2.81 0.00 0.00 179.45 177.63 3sgq h ASN 36 N 0.59 0.58 -0.48 0.00 4.21 -1.76 -1.29 115.58 117.43 3sgq h ASN 36 Ca 0.13 -0.16 -0.03 0.00 1.21 0.00 0.00 56.30 57.45 3sgq h ASN 36 Cb 0.37 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 3sgq h ASN 36 CO 0.01 0.58 0.16 0.15 -1.29 0.00 0.00 177.43 177.04 3sgq h PHE 37 N 0.54 0.76 0.00 1.19 3.57 -0.80 -2.49 116.94 119.71 3sgq h PHE 37 Ca 0.14 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 3sgq h PHE 37 Cb 0.18 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3sgq h PHE 37 CO -0.00 0.66 -0.37 0.00 -2.23 0.00 0.00 178.31 176.37 3sgq h ASN 39 N 0.00 0.38 -0.22 0.00 2.35 -0.86 -2.80 115.58 114.42 3sgq h ASN 39 Ca -0.00 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.45 3sgq h ASN 39 Cb 0.65 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 3sgq h ASN 39 CO 0.05 0.86 -0.16 0.00 -1.65 0.00 0.00 177.43 176.53 3sgq h ALA 40 N 1.15 1.06 -0.20 -0.83 0.00 -1.12 -1.28 119.26 118.05 3sgq h ALA 40 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3sgq h ALA 40 Cb 1.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3sgq h ALA 40 CO 0.09 0.57 0.10 0.28 0.00 0.00 0.00 179.25 180.29 3sgq h VAL 41 N 0.58 1.00 0.13 0.00 2.07 -1.15 0.12 116.25 119.00 3sgq h VAL 41 Ca 0.10 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3sgq h VAL 41 Cb 0.60 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3sgq h VAL 41 CO 0.04 0.04 -0.11 0.58 0.02 0.00 0.00 177.57 178.14 3sgq h VAL 42 N 0.21 0.76 -0.03 2.57 2.07 -1.36 -0.55 116.25 119.93 3sgq h VAL 42 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 3sgq h VAL 42 Cb 0.01 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3sgq h VAL 42 CO -0.05 0.00 0.03 -0.08 0.02 0.00 0.00 177.57 177.48 3sgq h GLU 43 N -0.24 0.00 -0.00 1.57 4.81 -1.04 0.43 114.58 120.11 3sgq h GLU 43 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3sgq h GLU 43 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3sgq h GLU 43 CO -0.02 0.00 -0.05 -1.13 -0.73 0.00 0.00 179.01 177.09 3sgq n SER 44 N -4.17 0.18 -1.47 1.04 3.41 0.41 -4.90 113.62 108.13 3sgq n SER 44 Ca -0.02 -0.35 -0.12 0.00 -0.26 0.00 0.00 58.87 58.12 3sgq n SER 44 Cb 0.12 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3sgq n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3sgq n ASN 45 N -1.15 -3.81 0.00 4.04 5.15 0.15 -2.90 115.26 116.74 3sgq n ASN 45 Ca 0.15 -0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 3sgq n ASN 45 Cb 0.25 -2.91 0.00 0.00 -0.53 0.00 0.00 39.78 36.59 3sgq n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3sgq n GLY 46 N -1.07 0.45 0.09 8.20 0.00 -0.30 -4.95 105.19 107.61 3sgq n GLY 46 Ca -0.11 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.20 3sgq n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3sgq n THR 47 N -2.94 0.96 -2.73 2.61 -2.24 -1.14 -4.88 114.28 103.91 3sgq n THR 47 Ca 0.00 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.71 3sgq n THR 47 Cb 0.00 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 67.63 3sgq n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3sgq s LEU 48 N -5.52 4.55 0.24 3.22 2.96 -1.26 -5.05 118.68 117.82 3sgq s LEU 48 Ca -0.04 1.85 0.04 0.00 -0.22 0.00 0.00 54.13 55.76 3sgq s LEU 48 Cb 0.09 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 3sgq s LEU 48 CO 0.82 0.00 -0.02 0.42 -1.32 0.00 0.00 176.35 176.26 3sgq s THR 49 N -0.38 1.14 -0.17 3.68 -4.23 -1.26 -4.83 115.64 109.59 3sgq s THR 49 Ca 0.45 -2.05 -0.29 0.00 -1.18 0.00 0.00 61.69 58.62 3sgq s THR 49 Cb -0.24 -2.35 -0.00 0.00 1.34 0.00 0.00 72.50 71.25 3sgq s THR 49 CO 0.31 -0.33 1.10 -0.22 -0.54 0.00 0.00 174.62 174.93 3sgq s LEU 50 N -3.32 4.17 -0.13 4.79 2.96 -1.26 0.92 118.68 126.80 3sgq s LEU 50 Ca 0.28 1.52 -0.08 0.00 -0.22 0.00 0.00 54.13 55.63 3sgq s LEU 50 Cb 0.05 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 3sgq s LEU 50 CO 0.09 -0.63 0.02 -1.28 -1.32 0.00 0.00 176.35 173.22 3sgq h SER 51 N 7.53 0.00 -5.02 3.68 0.87 -1.30 -3.45 113.55 115.87 3sgq h SER 51 Ca -0.25 -0.14 0.07 0.00 -1.23 0.00 0.00 61.79 60.24 3sgq h SER 51 Cb 1.10 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.01 3sgq h SER 51 CO 0.94 0.74 0.24 -1.38 -0.53 0.00 0.00 176.83 176.85 3sgq s HIS 52 N -1.97 -0.17 0.20 2.24 0.00 -1.16 -5.03 115.29 109.41 3sgq s HIS 52 Ca -0.10 -0.30 -0.20 0.00 -3.00 0.00 0.00 55.06 51.45 3sgq s HIS 52 Cb 0.01 0.72 -0.08 0.00 -4.00 0.00 0.00 32.58 29.23 3sgq s HIS 52 CO 0.21 -1.24 0.71 -0.06 -1.00 0.00 0.00 174.74 173.35 3sgq s PHE 53 N -3.78 3.69 0.00 0.38 0.40 -1.26 -0.96 117.98 116.45 3sgq s PHE 53 Ca 0.11 1.39 0.00 0.00 -0.60 0.00 0.00 56.93 57.83 3sgq s PHE 53 Cb -0.06 -2.61 0.00 0.00 0.51 0.00 0.00 43.02 40.86 3sgq s PHE 53 CO 0.07 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.79 3sgq n GLY 54 N 0.92 0.58 3.78 4.36 0.00 0.25 -4.78 105.19 110.30 3sgq n GLY 54 Ca -0.04 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 3sgq n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sgq s LYS 55 N -1.01 3.26 0.00 1.61 1.02 -1.26 -2.31 119.74 121.05 3sgq s LYS 55 Ca 0.00 1.44 0.20 0.00 0.02 0.00 0.00 55.97 57.63 3sgq s LYS 55 Cb 0.00 -2.01 1.21 0.00 -0.52 0.00 0.00 37.83 36.51 3sgq s LYS 55 CO 0.00 -0.89 1.60 0.00 -0.92 0.00 0.00 175.35 175.14