#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgq s ASP 7 N 0.00 4.46 -0.45 6.55 2.15 -1.26 -5.04 116.67 123.09 1sgq s ASP 7 Ca 0.00 -0.54 0.04 0.00 0.43 0.00 0.00 52.55 52.48 1sgq s ASP 7 Cb 0.00 -1.75 0.66 0.00 -0.30 0.00 0.00 42.92 41.53 1sgq s ASP 7 CO 0.00 -0.07 1.90 0.00 -0.17 0.00 0.00 175.17 176.83 1sgq h SER 9 N 1.02 0.00 -0.26 0.00 4.64 -1.98 -2.80 113.55 114.17 1sgq h SER 9 Ca 0.62 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.92 1sgq h SER 9 Cb 2.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.85 1sgq h SER 9 CO 1.09 0.48 0.03 -0.62 -0.87 0.00 0.00 176.83 176.93 1sgq n GLU 10 N -3.94 2.53 -4.04 4.77 4.71 -1.26 -4.83 120.64 118.58 1sgq n GLU 10 Ca -0.01 -1.31 -0.22 0.00 -0.01 0.00 0.00 57.16 55.60 1sgq n GLU 10 Cb 0.50 -1.79 -0.05 0.00 -1.01 0.00 0.00 31.44 29.09 1sgq n GLU 10 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1sgq s TYR 11 N -1.70 2.88 0.76 -0.32 1.51 -1.06 -4.61 117.35 114.81 1sgq s TYR 11 Ca 0.23 -0.25 -0.12 0.00 -1.01 0.00 0.00 57.07 55.92 1sgq s TYR 11 Cb 0.18 -1.55 0.05 0.00 -0.11 0.00 0.00 41.96 40.53 1sgq s TYR 11 CO 0.06 0.39 1.13 -1.25 -1.11 0.00 0.00 175.55 174.77 1sgq s PRO 12 N -3.86 2.41 -0.02 -1.71 0.04 -1.26 -5.05 135.00 125.55 1sgq s PRO 12 Ca 0.36 0.34 0.04 0.00 0.04 0.00 0.00 61.00 61.78 1sgq s PRO 12 Cb -0.06 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1sgq s PRO 12 CO 0.24 -1.33 -0.13 0.15 0.04 0.00 0.00 177.00 175.97 1sgq s LYS 13 N -5.42 1.22 0.41 4.56 1.02 -1.26 -5.04 119.74 115.23 1sgq s LYS 13 Ca 0.60 -0.47 0.29 0.00 0.02 0.00 0.00 55.97 56.41 1sgq s LYS 13 Cb -0.11 -1.14 1.20 0.00 -0.52 0.00 0.00 37.83 37.26 1sgq s LYS 13 CO 0.51 0.24 1.86 -1.00 -0.92 0.00 0.00 175.35 176.04 1sgq h PRO 14 N 6.05 0.00 -3.35 -1.68 0.13 -2.01 -3.45 132.00 127.69 1sgq h PRO 14 Ca -0.34 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1sgq h PRO 14 Cb 1.17 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 1sgq h PRO 14 CO 0.49 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 177.99 1sgq s ALA 15 N -3.51 -0.63 0.07 -0.56 0.00 -1.26 -5.15 121.76 110.71 1sgq s ALA 15 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.00 1sgq s ALA 15 Cb 0.09 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 1sgq s ALA 15 CO 0.46 -0.42 -0.18 0.00 0.00 0.00 0.00 175.76 175.63 1sgq s THR 17 N -1.03 2.30 -0.27 0.00 -4.23 -1.26 -4.98 115.64 106.17 1sgq s THR 17 Ca 0.04 0.10 0.09 0.00 -1.18 0.00 0.00 61.69 60.74 1sgq s THR 17 Cb -0.09 -2.56 0.46 0.00 1.34 0.00 0.00 72.50 71.65 1sgq s THR 17 CO 0.03 -0.13 1.34 0.61 -0.54 0.00 0.00 174.62 175.92 1sgq n GLY 18 N -0.98 5.30 3.83 3.99 0.00 -1.26 -4.93 105.19 111.16 1sgq n GLY 18 Ca 0.06 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1sgq n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sgq s GLU 19 N -3.33 3.34 -0.31 1.61 1.03 -1.26 -5.04 118.70 114.74 1sgq s GLU 19 Ca 0.44 0.94 -0.08 0.00 0.03 0.00 0.00 54.97 56.30 1sgq s GLU 19 Cb 0.40 -2.04 0.01 0.00 -0.80 0.00 0.00 34.13 31.69 1sgq s GLU 19 CO -0.03 -0.78 0.11 -0.47 -1.33 0.00 0.00 175.26 172.77 1sgq s TYR 20 N -2.92 3.17 -0.41 4.83 5.04 -1.26 -4.59 117.35 121.21 1sgq s TYR 20 Ca 0.58 -0.88 0.04 0.00 -2.44 0.00 0.00 57.07 54.37 1sgq s TYR 20 Cb -0.13 -2.30 0.17 0.00 0.35 0.00 0.00 41.96 40.05 1sgq s TYR 20 CO 0.48 -0.55 0.41 1.03 -1.34 0.00 0.00 175.55 175.57 1sgq s ARG 21 N 1.53 0.80 0.72 4.97 0.52 0.61 -5.03 118.95 123.07 1sgq s ARG 21 Ca 0.03 -1.41 -0.14 0.00 -0.52 0.00 0.00 55.73 53.70 1sgq s ARG 21 Cb -0.17 -0.92 0.03 0.00 0.52 0.00 0.00 34.95 34.40 1sgq s ARG 21 CO 0.04 -1.29 1.12 -1.25 0.02 0.00 0.00 175.30 173.94 1sgq s PRO 22 N 0.79 2.43 0.03 3.54 0.04 -1.23 -3.80 135.00 136.80 1sgq s PRO 22 Ca 0.25 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.73 1sgq s PRO 22 Cb -0.07 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1sgq s PRO 22 CO -0.09 -1.55 -0.09 -0.51 0.04 0.00 0.00 177.00 174.81 1sgq s LEU 23 N -5.29 2.15 -0.32 -3.56 1.43 -0.37 -1.34 118.68 111.38 1sgq s LEU 23 Ca 0.67 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 1sgq s LEU 23 Cb -0.21 -0.34 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 1sgq s LEU 23 CO 0.47 -0.05 0.19 0.00 0.23 0.00 0.00 176.35 177.19 1sgq s GLY 25 N 1.65 1.65 0.00 0.00 0.00 -0.88 0.69 107.32 110.43 1sgq s GLY 25 Ca 0.05 -0.20 0.12 0.00 0.00 0.00 0.00 44.72 44.70 1sgq s GLY 25 CO 0.08 0.11 1.40 -1.14 0.00 0.00 0.00 173.10 173.55 1sgq n SER 26 N -2.83 0.00 -1.21 1.64 3.41 0.14 -0.77 113.62 113.99 1sgq n SER 26 Ca 0.06 0.49 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 1sgq n SER 26 Cb 0.55 -0.49 0.27 0.00 -0.26 0.00 0.00 64.21 64.28 1sgq n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1sgq n ASP 27 N -1.49 3.53 -0.43 4.04 5.75 -1.26 -4.91 116.55 121.78 1sgq n ASP 27 Ca 0.03 -2.25 -0.06 0.00 -0.01 0.00 0.00 54.79 52.51 1sgq n ASP 27 Cb 0.14 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 39.74 1sgq n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sgq n ASN 28 N 0.89 -5.23 -4.81 -1.12 3.02 0.05 -4.98 115.26 103.07 1sgq n ASN 28 Ca 0.19 0.14 -0.38 0.00 -0.03 0.00 0.00 54.58 54.51 1sgq n ASN 28 Cb 0.64 -3.22 -0.06 0.00 -0.61 0.00 0.00 39.78 36.53 1sgq n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1sgq s LYS 29 N -2.19 3.95 -0.18 3.52 2.20 -1.25 -4.87 119.74 120.92 1sgq s LYS 29 Ca 0.00 0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.59 1sgq s LYS 29 Cb 0.00 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1sgq s LYS 29 CO 0.00 0.57 1.07 0.99 -0.36 0.00 0.00 175.35 177.62 1sgq s THR 30 N -0.63 4.64 -0.12 3.43 2.01 -1.26 -2.06 115.64 121.64 1sgq s THR 30 Ca 0.21 1.95 -0.16 0.00 0.31 0.00 0.00 61.69 64.01 1sgq s THR 30 Cb -0.15 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 1sgq s THR 30 CO 0.10 -0.12 0.39 -0.31 -0.69 0.00 0.00 174.62 174.00 1sgq s TYR 31 N 2.87 3.52 -0.26 4.92 2.02 0.12 -4.95 117.35 125.59 1sgq s TYR 31 Ca 0.47 0.78 0.28 0.00 -0.37 0.00 0.00 57.07 58.23 1sgq s TYR 31 Cb -0.17 -2.44 1.10 0.00 -0.40 0.00 0.00 41.96 40.05 1sgq s TYR 31 CO 0.11 0.25 1.82 0.78 -1.57 0.00 0.00 175.55 176.94 1sgq h GLY 32 N 6.47 0.00 -2.37 0.71 0.00 -1.87 -0.98 103.07 105.03 1sgq h GLY 32 Ca -0.42 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.14 1sgq h GLY 32 CO 0.74 0.00 0.62 0.54 0.00 0.00 0.00 176.54 178.44 1sgq s ASN 33 N -4.93 -0.11 0.23 0.19 2.20 -1.25 -0.29 114.94 110.98 1sgq s ASN 33 Ca 0.04 -0.35 -0.08 0.00 -0.94 0.00 0.00 52.86 51.53 1sgq s ASN 33 Cb 0.09 0.38 0.23 0.00 -2.00 0.00 0.00 41.25 39.95 1sgq s ASN 33 CO 0.48 -0.70 1.88 0.50 -2.94 0.00 0.00 177.10 176.31 1sgq h LYS 34 N 2.00 1.03 -0.66 3.55 3.11 -1.88 -0.51 116.57 123.21 1sgq h LYS 34 Ca -0.26 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.45 1sgq h LYS 34 Cb 1.22 -0.23 -0.03 0.00 -1.00 0.00 0.00 32.23 32.19 1sgq h LYS 34 CO 0.28 0.68 0.18 0.00 -2.81 0.00 0.00 179.45 177.78 1sgq h ASN 36 N 0.98 0.96 -0.51 0.00 2.35 -1.81 -1.86 115.58 115.70 1sgq h ASN 36 Ca 0.21 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 1sgq h ASN 36 Cb 0.34 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1sgq h ASN 36 CO -0.00 1.07 0.15 0.15 -1.65 0.00 0.00 177.43 177.15 1sgq h PHE 37 N 0.84 0.83 -0.15 1.19 3.57 -0.72 -2.50 116.94 120.00 1sgq h PHE 37 Ca 0.14 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 1sgq h PHE 37 Cb 0.62 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1sgq h PHE 37 CO 0.04 0.72 -0.24 0.00 -2.23 0.00 0.00 178.31 176.61 1sgq h ASN 39 N 0.23 0.00 0.21 0.00 2.35 -1.17 -2.31 115.58 114.90 1sgq h ASN 39 Ca 0.04 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 1sgq h ASN 39 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1sgq h ASN 39 CO 0.04 0.56 -0.57 0.00 -1.65 0.00 0.00 177.43 175.81 1sgq h ALA 40 N 1.44 0.80 -0.33 -0.83 0.00 -0.85 -0.69 119.26 118.80 1sgq h ALA 40 Ca -0.01 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.42 1sgq h ALA 40 Cb 1.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1sgq h ALA 40 CO 0.07 0.70 0.13 0.28 0.00 0.00 0.00 179.25 180.43 1sgq h VAL 41 N 0.28 0.93 -0.51 0.00 2.07 -0.80 0.66 116.25 118.88 1sgq h VAL 41 Ca 0.00 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1sgq h VAL 41 Cb 1.08 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1sgq h VAL 41 CO 0.10 0.05 0.31 0.58 0.02 0.00 0.00 177.57 178.62 1sgq h VAL 42 N 0.28 1.06 0.00 2.57 2.07 -1.26 -0.63 116.25 120.33 1sgq h VAL 42 Ca 0.15 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1sgq h VAL 42 Cb 0.10 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1sgq h VAL 42 CO -0.14 0.11 -0.09 -0.08 0.02 0.00 0.00 177.57 177.39 1sgq h GLU 43 N 0.62 0.00 -0.18 1.57 4.81 -0.20 0.31 114.58 121.51 1sgq h GLU 43 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1sgq h GLU 43 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1sgq h GLU 43 CO -0.09 0.09 0.00 -1.13 -0.73 0.00 0.00 179.01 177.16 1sgq n SER 44 N -3.87 1.74 -3.29 1.04 3.41 0.14 -4.90 113.62 107.88 1sgq n SER 44 Ca -0.02 -1.72 -0.21 0.00 -0.26 0.00 0.00 58.87 56.66 1sgq n SER 44 Cb 0.19 -0.11 0.07 0.00 -0.26 0.00 0.00 64.21 64.10 1sgq n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sgq n ASN 45 N 0.37 -5.33 -0.02 4.04 5.15 0.11 -2.21 115.26 117.38 1sgq n ASN 45 Ca 0.16 -0.50 -0.00 0.00 -0.60 0.00 0.00 54.58 53.64 1sgq n ASN 45 Cb 0.34 -4.63 -0.00 0.00 -0.53 0.00 0.00 39.78 34.96 1sgq n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sgq n GLY 46 N -1.75 0.47 0.12 8.20 0.00 -0.80 -4.95 105.19 106.47 1sgq n GLY 46 Ca -0.04 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.84 1sgq n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sgq h THR 47 N 0.00 0.10 -3.61 2.61 1.35 -1.64 -3.46 112.91 108.25 1sgq h THR 47 Ca -0.00 -1.19 -0.51 0.00 -0.55 0.00 0.00 66.41 64.15 1sgq h THR 47 Cb 0.05 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1sgq h THR 47 CO 0.01 0.06 0.35 -0.22 -0.25 0.00 0.00 175.52 175.47 1sgq s LEU 48 N -5.49 4.54 0.38 3.87 2.96 -1.26 -5.05 118.68 118.63 1sgq s LEU 48 Ca -0.01 1.83 0.04 0.00 -0.22 0.00 0.00 54.13 55.77 1sgq s LEU 48 Cb 0.09 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 1sgq s LEU 48 CO 0.79 -0.00 0.06 0.42 -1.32 0.00 0.00 176.35 176.30 1sgq s THR 49 N -0.32 1.15 -0.17 3.68 -4.23 -1.26 -4.85 115.64 109.64 1sgq s THR 49 Ca 0.45 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.70 1sgq s THR 49 Cb -0.24 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.94 1sgq s THR 49 CO 0.30 0.00 0.86 -0.22 -0.54 0.00 0.00 174.62 175.02 1sgq s LEU 50 N -3.59 4.18 -0.21 4.79 2.96 -1.26 0.23 118.68 125.78 1sgq s LEU 50 Ca 0.30 1.22 -0.19 0.00 -0.22 0.00 0.00 54.13 55.25 1sgq s LEU 50 Cb 0.07 -3.29 -0.19 0.00 0.50 0.00 0.00 46.19 43.28 1sgq s LEU 50 CO 0.14 -0.42 0.14 -0.24 -1.32 0.00 0.00 176.35 174.66 1sgq n SER 51 N 5.27 1.90 -3.65 3.68 2.88 0.22 -4.81 113.62 119.10 1sgq n SER 51 Ca 0.05 0.38 -0.05 0.00 -1.33 0.00 0.00 58.87 57.93 1sgq n SER 51 Cb 0.49 -0.93 -0.01 0.00 -0.75 0.00 0.00 64.21 63.00 1sgq n SER 51 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1sgq s HIS 52 N -2.40 -0.19 0.56 0.66 0.00 -0.62 -5.01 115.29 108.29 1sgq s HIS 52 Ca -0.30 -0.03 -0.17 0.00 -3.00 0.00 0.00 55.06 51.57 1sgq s HIS 52 Cb 0.07 0.59 -0.05 0.00 -4.00 0.00 0.00 32.58 29.19 1sgq s HIS 52 CO 0.59 -0.66 1.04 -0.06 -1.00 0.00 0.00 174.74 174.66 1sgq s PHE 53 N -3.11 3.05 0.00 0.38 0.40 -1.26 0.06 117.98 117.50 1sgq s PHE 53 Ca 0.10 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.95 1sgq s PHE 53 Cb -0.01 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.53 1sgq s PHE 53 CO -0.02 -0.96 0.00 0.41 0.70 0.00 0.00 175.22 175.35 1sgq n GLY 54 N -0.90 -0.24 3.79 4.36 0.00 -0.45 -4.69 105.19 107.05 1sgq n GLY 54 Ca 0.09 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 1sgq n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgq s LYS 55 N -1.32 2.50 0.00 1.61 1.02 -1.26 -1.75 119.74 120.54 1sgq s LYS 55 Ca 0.00 1.11 0.24 0.00 0.02 0.00 0.00 55.97 57.34 1sgq s LYS 55 Cb 0.00 -1.93 1.44 0.00 -0.52 0.00 0.00 37.83 36.82 1sgq s LYS 55 CO 0.00 -1.45 1.80 0.00 -0.92 0.00 0.00 175.35 174.78