#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ql0 h LYS 2 N 0.00 0.00 -6.20 2.12 1.79 -2.00 -3.46 116.57 108.83 2ql0 h LYS 2 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2ql0 h LYS 2 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 2ql0 h LYS 2 CO 0.00 0.00 -0.37 0.15 -1.08 0.00 0.00 179.45 178.15 2ql0 s LYS 3 N -3.17 2.56 0.06 3.15 1.02 -1.26 -4.65 119.74 117.46 2ql0 s LYS 3 Ca 0.07 -1.51 -0.17 0.00 0.02 0.00 0.00 55.97 54.39 2ql0 s LYS 3 Cb 0.11 -2.41 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 2ql0 s LYS 3 CO 0.67 -0.19 0.39 0.71 -0.92 0.00 0.00 175.35 176.01 2ql0 s TYR 4 N -2.46 -0.22 0.05 3.18 1.51 -1.26 -3.41 117.35 114.74 2ql0 s TYR 4 Ca 0.49 0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.68 2ql0 s TYR 4 Cb -0.04 0.21 -0.02 0.00 -0.11 0.00 0.00 41.96 42.00 2ql0 s TYR 4 CO 0.28 -0.59 -0.12 0.54 -1.11 0.00 0.00 175.55 174.55 2ql0 s VAL 5 N -2.83 0.89 0.27 0.71 0.11 -0.89 -1.34 120.40 117.31 2ql0 s VAL 5 Ca -0.03 -1.09 -0.28 0.00 -2.93 0.00 0.00 61.98 57.65 2ql0 s VAL 5 Cb -0.00 -0.87 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 2ql0 s VAL 5 CO -0.05 -0.19 0.93 0.00 -3.33 0.00 0.00 175.10 172.46 2ql0 n THR 7 N 1.16 0.16 -0.13 0.00 -2.24 -1.26 -1.65 114.28 110.32 2ql0 n THR 7 Ca -0.01 -0.43 -0.22 0.00 -2.27 0.00 0.00 64.05 61.12 2ql0 n THR 7 Cb 0.48 0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 69.38 2ql0 n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2ql0 n VAL 8 N 0.73 1.43 -0.09 2.28 0.31 -1.26 -4.80 118.33 116.93 2ql0 n VAL 8 Ca 0.17 -0.47 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 2ql0 n VAL 8 Cb 0.45 -1.58 -0.04 0.00 -0.91 0.00 0.00 33.84 31.76 2ql0 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ql0 n GLY 10 N 1.49 1.38 3.86 0.00 0.00 -0.66 -5.03 105.19 106.24 2ql0 n GLY 10 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 2ql0 n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ql0 s TYR 11 N -2.00 3.49 -0.08 1.61 5.04 -1.26 -4.67 117.35 119.47 2ql0 s TYR 11 Ca 0.00 1.24 0.01 0.00 -2.44 0.00 0.00 57.07 55.88 2ql0 s TYR 11 Cb 0.00 -2.62 -0.02 0.00 0.35 0.00 0.00 41.96 39.67 2ql0 s TYR 11 CO 0.00 -0.30 -0.12 -1.83 -1.34 0.00 0.00 175.55 171.96 2ql0 s GLU 12 N -4.17 2.88 0.11 4.97 -1.05 -1.26 -0.57 118.70 119.61 2ql0 s GLU 12 Ca 0.55 -0.65 -0.21 0.00 -0.15 0.00 0.00 54.97 54.50 2ql0 s GLU 12 Cb -0.10 -2.53 -0.07 0.00 -0.44 0.00 0.00 34.13 30.99 2ql0 s GLU 12 CO 0.35 0.49 0.65 -0.47 0.95 0.00 0.00 175.26 177.23 2ql0 s TYR 13 N -0.37 3.83 -0.44 4.83 5.04 -0.45 -5.00 117.35 124.79 2ql0 s TYR 13 Ca 0.04 1.40 -0.06 0.00 -2.44 0.00 0.00 57.07 56.01 2ql0 s TYR 13 Cb -0.12 -2.59 0.11 0.00 0.35 0.00 0.00 41.96 39.71 2ql0 s TYR 13 CO 0.02 0.55 0.27 0.34 -1.34 0.00 0.00 175.55 175.39 2ql0 s ASP 14 N -1.17 5.46 0.00 4.32 3.68 -1.26 -4.32 116.67 123.38 2ql0 s ASP 14 Ca 0.32 -1.97 0.22 0.00 2.13 0.00 0.00 52.55 53.25 2ql0 s ASP 14 Cb -0.20 -1.91 1.03 0.00 -1.45 0.00 0.00 42.92 40.39 2ql0 s ASP 14 CO 0.22 -0.61 1.72 -0.81 0.13 0.00 0.00 175.17 175.81 2ql0 n PRO 15 N 4.74 0.16 -0.02 4.34 -0.04 -1.26 -1.36 135.00 141.56 2ql0 n PRO 15 Ca -0.05 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 2ql0 n PRO 15 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 2ql0 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ql0 h ALA 16 N 2.91 0.01 -0.55 0.55 0.00 -1.91 -3.24 119.26 117.03 2ql0 h ALA 16 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ql0 h ALA 16 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ql0 h ALA 16 CO 0.00 -0.22 0.00 -0.85 0.00 0.00 0.00 179.25 178.18 2ql0 n GLU 17 N -4.82 3.14 0.00 0.00 0.28 -1.19 -4.76 120.64 113.29 2ql0 n GLU 17 Ca -0.08 -2.59 0.00 0.00 -0.16 0.00 0.00 57.16 54.33 2ql0 n GLU 17 Cb 0.27 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.52 2ql0 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ql0 n GLY 18 N 0.93 3.50 3.15 -1.84 0.00 -0.46 -4.56 105.19 105.91 2ql0 n GLY 18 Ca 0.21 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.18 2ql0 n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ql0 s ASP 19 N -4.00 -1.08 0.29 1.61 3.68 -1.26 -4.44 116.67 111.47 2ql0 s ASP 19 Ca 0.00 0.26 0.26 0.00 2.13 0.00 0.00 52.55 55.20 2ql0 s ASP 19 Cb 0.00 1.74 0.89 0.00 -1.45 0.00 0.00 42.92 44.10 2ql0 s ASP 19 CO 0.00 -0.20 1.76 1.55 0.13 0.00 0.00 175.17 178.41 2ql0 h PRO 20 N 7.77 0.00 -0.81 4.34 0.13 -1.83 -3.06 132.00 138.54 2ql0 h PRO 20 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2ql0 h PRO 20 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2ql0 h PRO 20 CO 0.06 0.00 0.51 0.22 -0.23 0.00 0.00 178.00 178.56 2ql0 h ASP 21 N 0.00 0.95 -4.30 1.44 -0.00 -1.95 -3.44 116.42 109.12 2ql0 h ASP 21 Ca 0.00 -0.04 -0.34 0.00 -0.00 0.00 0.00 57.03 56.65 2ql0 h ASP 21 Cb 0.60 -0.24 -0.05 0.00 -0.00 0.00 0.00 39.33 39.64 2ql0 h ASP 21 CO 0.00 0.71 -0.22 -0.46 -0.00 0.00 0.00 179.24 179.27 2ql0 n ASN 22 N -4.39 2.51 -3.61 2.28 0.23 -1.16 -5.02 115.26 106.09 2ql0 n ASN 22 Ca 0.09 -2.14 -0.41 0.00 -0.53 0.00 0.00 54.58 51.59 2ql0 n ASN 22 Cb 0.05 0.13 -0.01 0.00 -2.08 0.00 0.00 39.78 37.86 2ql0 n ASN 22 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ql0 n GLY 23 N 1.65 4.51 3.19 4.83 0.00 -1.26 -4.86 105.19 113.24 2ql0 n GLY 23 Ca -0.08 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 2ql0 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ql0 s VAL 24 N 2.03 3.36 0.75 1.61 1.01 -1.23 -5.08 120.40 122.85 2ql0 s VAL 24 Ca 0.53 -1.53 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 2ql0 s VAL 24 Cb 0.15 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 2ql0 s VAL 24 CO -0.07 -0.33 0.01 2.29 0.00 0.00 0.00 175.10 177.00 2ql0 n LYS 25 N 4.68 0.10 -2.30 2.72 0.00 -1.26 -4.34 118.16 117.75 2ql0 n LYS 25 Ca -0.09 0.05 -0.38 0.00 -0.00 0.00 0.00 58.31 57.89 2ql0 n LYS 25 Cb 0.43 -1.39 -0.03 0.00 -0.00 0.00 0.00 35.03 34.03 2ql0 n LYS 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2ql0 s PRO 26 N -2.14 2.97 0.00 -1.58 0.04 -1.26 -3.98 135.00 129.04 2ql0 s PRO 26 Ca 0.56 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2ql0 s PRO 26 Cb -0.34 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 29.64 2ql0 s PRO 26 CO 0.67 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2ql0 n GLY 27 N 5.93 0.76 2.60 0.56 0.00 -1.26 -5.07 105.19 108.71 2ql0 n GLY 27 Ca 0.19 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 2ql0 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ql0 s THR 28 N -0.56 -0.15 1.17 2.61 2.01 -1.26 -5.10 115.64 114.36 2ql0 s THR 28 Ca 0.00 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 61.01 2ql0 s THR 28 Cb 0.00 -0.98 0.25 0.00 0.01 0.00 0.00 72.50 71.78 2ql0 s THR 28 CO 0.00 -0.69 0.76 -1.54 -0.69 0.00 0.00 174.62 172.46 2ql0 n SER 29 N 5.01 -1.92 0.13 3.53 3.41 -1.26 -4.62 113.62 117.90 2ql0 n SER 29 Ca -0.01 -0.16 -0.01 0.00 -0.26 0.00 0.00 58.87 58.44 2ql0 n SER 29 Cb 0.43 -1.18 0.24 0.00 -0.26 0.00 0.00 64.21 63.43 2ql0 n SER 29 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2ql0 h PHE 30 N -2.55 0.12 0.00 7.33 3.57 -1.91 0.20 116.94 123.70 2ql0 h PHE 30 Ca -0.60 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 60.87 2ql0 h PHE 30 Cb 1.34 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.05 2ql0 h PHE 30 CO 0.24 0.55 0.00 -0.44 -2.23 0.00 0.00 178.31 176.43 2ql0 h ASP 31 N 0.08 0.00 0.32 0.41 5.19 -1.92 -3.05 116.42 117.45 2ql0 h ASP 31 Ca 0.00 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 2ql0 h ASP 31 Cb 0.87 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 2ql0 h ASP 31 CO 0.07 0.00 -1.79 0.47 -3.12 0.00 0.00 179.24 174.87 2ql0 n ASP 32 N -2.50 0.33 -4.16 6.45 9.92 -0.84 -4.98 116.55 120.77 2ql0 n ASP 32 Ca 0.05 0.14 -0.36 0.00 -0.53 0.00 0.00 54.79 54.09 2ql0 n ASP 32 Cb 0.45 1.13 0.06 0.00 -0.64 0.00 0.00 41.12 42.12 2ql0 n ASP 32 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2ql0 n LEU 33 N -2.57 -3.82 0.00 0.64 4.77 0.65 -4.90 117.00 111.77 2ql0 n LEU 33 Ca -0.11 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2ql0 n LEU 33 Cb 0.75 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2ql0 n LEU 33 CO 0.44 -5.10 0.00 -0.81 -1.33 0.00 0.00 177.39 170.59 2ql0 n PRO 34 N 1.10 -0.02 -0.14 3.23 -0.04 -1.26 -4.99 135.00 132.89 2ql0 n PRO 34 Ca 0.02 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.53 2ql0 n PRO 34 Cb 0.54 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.12 2ql0 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ql0 n ALA 35 N -3.00 2.20 -1.57 0.55 0.00 -1.26 -4.37 120.51 113.06 2ql0 n ALA 35 Ca 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 53.44 52.45 2ql0 n ALA 35 Cb 0.00 -0.38 0.12 0.00 0.00 0.00 0.00 19.45 19.19 2ql0 n ALA 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ql0 n ASP 36 N 0.42 1.56 -4.81 0.00 8.00 -1.26 -5.04 116.55 115.41 2ql0 n ASP 36 Ca 0.10 -2.96 -0.38 0.00 0.71 0.00 0.00 54.79 52.25 2ql0 n ASP 36 Cb 0.39 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 2ql0 n ASP 36 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2ql0 s TRP 37 N -2.06 3.76 0.07 1.24 -0.00 -1.26 -5.08 118.94 115.61 2ql0 s TRP 37 Ca 0.28 1.29 0.02 0.00 -0.00 0.00 0.00 56.10 57.69 2ql0 s TRP 37 Cb 0.26 -2.52 -0.03 0.00 -0.00 0.00 0.00 33.47 31.18 2ql0 s TRP 37 CO -0.03 0.52 -0.07 0.14 -0.00 0.00 0.00 176.95 177.51 2ql0 s VAL 38 N -1.23 0.61 0.16 5.86 -7.23 -1.26 -4.53 120.40 112.77 2ql0 s VAL 38 Ca 0.33 -1.49 -0.33 0.00 -1.81 0.00 0.00 61.98 58.68 2ql0 s VAL 38 Cb -0.19 -1.13 -0.17 0.00 0.56 0.00 0.00 36.38 35.46 2ql0 s VAL 38 CO 0.20 -0.62 0.99 0.00 -0.31 0.00 0.00 175.10 175.36 2ql0 n PRO 40 N 1.45 0.73 -0.07 0.00 -0.04 -1.26 -2.33 135.00 133.48 2ql0 n PRO 40 Ca 0.16 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2ql0 n PRO 40 Cb 0.23 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.16 2ql0 n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ql0 n VAL 41 N -1.01 1.19 -0.00 0.52 0.31 -1.26 -4.94 118.33 113.13 2ql0 n VAL 41 Ca 0.18 0.23 -0.01 0.00 -0.01 0.00 0.00 64.34 64.73 2ql0 n VAL 41 Cb 0.09 -2.19 -0.00 0.00 -0.91 0.00 0.00 33.84 30.82 2ql0 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ql0 n GLY 43 N 2.39 -0.14 3.92 0.00 0.00 -0.99 -4.85 105.19 105.52 2ql0 n GLY 43 Ca -0.01 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 2ql0 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ql0 s ALA 44 N 0.00 4.02 0.63 4.61 0.00 -1.26 -4.62 121.76 125.14 2ql0 s ALA 44 Ca 0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 2ql0 s ALA 44 Cb 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2ql0 s ALA 44 CO 0.00 0.01 1.05 -1.25 0.00 0.00 0.00 175.76 175.57 2ql0 s PRO 45 N -4.07 3.22 0.37 0.00 0.04 -1.26 -2.47 135.00 130.83 2ql0 s PRO 45 Ca 0.42 1.08 0.27 0.00 0.04 0.00 0.00 61.00 62.81 2ql0 s PRO 45 Cb -0.08 -2.02 1.29 0.00 0.04 0.00 0.00 34.50 33.73 2ql0 s PRO 45 CO 0.29 -0.88 1.82 0.87 0.04 0.00 0.00 177.00 179.13 2ql0 h LYS 46 N 0.01 0.00 0.00 4.56 1.57 -1.94 -0.88 116.57 119.88 2ql0 h LYS 46 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2ql0 h LYS 46 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2ql0 h LYS 46 CO 0.58 0.00 0.00 0.77 -0.57 0.00 0.00 179.45 180.23 2ql0 h SER 47 N 0.00 0.00 0.40 0.86 0.02 -1.98 -2.08 113.55 110.77 2ql0 h SER 47 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 2ql0 h SER 47 Cb 0.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 2ql0 h SER 47 CO 0.00 0.00 -1.76 -0.33 -1.14 0.00 0.00 176.83 173.60 2ql0 h GLU 48 N 0.00 0.09 -6.71 3.45 4.39 -1.53 -3.46 114.58 110.81 2ql0 h GLU 48 Ca 0.00 -0.16 -0.53 0.00 0.34 0.00 0.00 59.36 59.02 2ql0 h GLU 48 Cb 0.29 0.06 0.05 0.00 -0.10 0.00 0.00 28.75 29.04 2ql0 h GLU 48 CO 0.00 0.75 0.75 -0.06 -1.16 0.00 0.00 179.01 179.29 2ql0 s PHE 49 N -2.59 3.07 0.20 4.33 0.40 -0.78 -4.38 117.98 118.23 2ql0 s PHE 49 Ca -0.10 1.02 0.08 0.00 -0.60 0.00 0.00 56.93 57.34 2ql0 s PHE 49 Cb 0.08 -3.79 -0.04 0.00 0.51 0.00 0.00 43.02 39.78 2ql0 s PHE 49 CO 0.81 -2.58 -0.03 -1.83 0.70 0.00 0.00 175.22 172.29 2ql0 s GLU 50 N -0.13 2.27 -0.56 0.44 -1.05 -1.05 -4.90 118.70 113.72 2ql0 s GLU 50 Ca 0.60 -1.23 -0.28 0.00 -0.15 0.00 0.00 54.97 53.91 2ql0 s GLU 50 Cb -0.41 -2.25 0.01 0.00 -0.44 0.00 0.00 34.13 31.04 2ql0 s GLU 50 CO 0.41 0.43 1.42 0.00 0.95 0.00 0.00 175.26 178.46 2ql0 s ALA 51 N -1.86 2.81 -0.96 -0.84 0.00 -1.26 -2.10 121.76 117.55 2ql0 s ALA 51 Ca 0.28 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2ql0 s ALA 51 Cb -0.08 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2ql0 s ALA 51 CO 0.18 -2.93 0.24 0.00 0.00 0.00 0.00 175.76 173.24