#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 -3.78 0.03 3.64 -1.97 -3.45 116.57 111.03 2ql0 h LYS 2 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2ql0 h LYS 2 Cb 0.00 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.65 2ql0 h LYS 2 CO 0.00 0.37 -0.49 0.21 -2.27 0.00 0.00 179.45 177.26 2ql0 s LYS 3 N -2.93 0.63 0.01 1.90 2.20 -1.26 -4.92 119.74 115.37 2ql0 s LYS 3 Ca -0.01 -0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 2ql0 s LYS 3 Cb 0.08 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.65 2ql0 s LYS 3 CO 0.79 -0.17 0.07 0.71 -0.36 0.00 0.00 175.35 176.40 2ql0 s TYR 4 N -2.79 0.14 0.07 4.03 2.02 -1.26 -2.89 117.35 116.66 2ql0 s TYR 4 Ca -0.03 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 2ql0 s TYR 4 Cb -0.00 -0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 2ql0 s TYR 4 CO -0.05 -0.25 -0.06 0.54 -1.57 0.00 0.00 175.55 174.15 2ql0 s VAL 5 N -1.49 0.51 -0.16 0.71 0.11 -1.03 -0.82 120.40 118.23 2ql0 s VAL 5 Ca -0.15 -1.63 -0.19 0.00 -2.93 0.00 0.00 61.98 57.08 2ql0 s VAL 5 Cb -0.08 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.45 2ql0 s VAL 5 CO 0.00 -0.76 0.55 0.00 -3.33 0.00 0.00 175.10 171.57 2ql0 n THR 7 N 4.22 0.02 -0.13 0.00 -2.24 -1.26 -0.02 114.28 114.87 2ql0 n THR 7 Ca -0.04 -0.03 -0.26 0.00 -2.27 0.00 0.00 64.05 61.45 2ql0 n THR 7 Cb 0.51 -0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.36 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 1.53 -0.07 2.28 0.31 -1.26 -4.81 118.33 115.58 2ql0 n VAL 8 Ca 0.16 -0.40 -0.11 0.00 -0.01 0.00 0.00 64.34 63.99 2ql0 n VAL 8 Cb 0.10 -1.79 -0.04 0.00 -0.91 0.00 0.00 33.84 31.20 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 1.78 1.42 3.67 0.00 0.00 0.97 -5.01 105.19 108.02 2ql0 n GLY 10 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 3.11 0.05 1.61 5.04 -1.26 -4.67 117.35 119.23 2ql0 s TYR 11 Ca 0.00 1.23 -0.30 0.00 -2.44 0.00 0.00 57.07 55.55 2ql0 s TYR 11 Cb 0.00 -3.39 -0.05 0.00 0.35 0.00 0.00 41.96 38.86 2ql0 s TYR 11 CO 0.00 -1.16 1.15 -1.21 -1.34 0.00 0.00 175.55 173.00 2ql0 s GLU 12 N 3.02 4.46 -0.26 4.97 8.01 -1.26 -3.04 118.70 134.60 2ql0 s GLU 12 Ca 0.51 1.70 -0.13 0.00 0.01 0.00 0.00 54.97 57.06 2ql0 s GLU 12 Cb -0.20 -3.37 -0.04 0.00 -4.31 0.00 0.00 34.13 26.21 2ql0 s GLU 12 CO 0.14 -0.21 0.29 -0.47 0.01 0.00 0.00 175.26 175.02 2ql0 s TYR 13 N 1.04 3.26 -0.44 1.61 5.04 0.00 -5.01 117.35 122.85 2ql0 s TYR 13 Ca 0.57 0.32 -0.06 0.00 -2.44 0.00 0.00 57.07 55.47 2ql0 s TYR 13 Cb -0.28 -2.47 0.12 0.00 0.35 0.00 0.00 41.96 39.68 2ql0 s TYR 13 CO 0.29 -0.14 0.27 0.34 -1.34 0.00 0.00 175.55 174.97 2ql0 s ASP 14 N 1.53 5.46 0.00 4.32 3.68 -1.26 -4.02 116.67 126.39 2ql0 s ASP 14 Ca 0.12 -1.99 0.24 0.00 2.13 0.00 0.00 52.55 53.05 2ql0 s ASP 14 Cb -0.15 -1.91 1.42 0.00 -1.45 0.00 0.00 42.92 40.82 2ql0 s ASP 14 CO 0.09 -0.61 1.79 -0.81 0.13 0.00 0.00 175.17 175.76 2ql0 n PRO 15 N 4.73 0.73 0.10 4.34 -0.04 -1.26 -2.79 135.00 140.81 2ql0 n PRO 15 Ca -0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 2ql0 n PRO 15 Cb 0.41 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.53 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 3.48 0.95 0.04 0.55 0.00 -1.91 -3.25 119.26 119.12 2ql0 h ALA 16 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 54.91 54.04 2ql0 h ALA 16 Cb 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2ql0 h ALA 16 CO 0.00 0.69 -2.21 -0.85 0.00 0.00 0.00 179.25 176.88 2ql0 n GLU 17 N -3.91 0.69 0.00 0.00 0.28 -1.12 -4.51 120.64 112.07 2ql0 n GLU 17 Ca -0.02 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 2ql0 n GLU 17 Cb 0.58 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.83 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 2.00 -3.17 3.13 -1.84 0.00 -1.18 -4.56 105.19 99.56 2ql0 n GLY 18 Ca -0.36 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 43.59 2ql0 n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ql0 s ASP 19 N -1.51 -1.27 0.06 1.61 1.11 -1.26 -4.89 116.67 110.52 2ql0 s ASP 19 Ca 0.00 -0.12 0.23 0.00 0.18 0.00 0.00 52.55 52.83 2ql0 s ASP 19 Cb 0.00 1.73 0.92 0.00 1.07 0.00 0.00 42.92 46.64 2ql0 s ASP 19 CO 0.00 -0.20 1.71 -0.81 1.18 0.00 0.00 175.17 177.05 2ql0 n PRO 20 N 4.94 0.06 -0.12 8.23 -0.04 -1.26 0.10 135.00 146.91 2ql0 n PRO 20 Ca 0.07 0.17 -0.09 0.00 -0.04 0.00 0.00 63.50 63.61 2ql0 n PRO 20 Cb 0.56 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2ql0 n PRO 20 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2ql0 h ASP 21 N 0.00 0.51 1.21 3.54 3.58 -1.94 -2.41 116.42 120.90 2ql0 h ASP 21 Ca 0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2ql0 h ASP 21 Cb 0.42 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2ql0 h ASP 21 CO 0.00 0.54 -0.44 0.78 -2.88 0.00 0.00 179.24 177.25 2ql0 h ASN 22 N 0.44 0.00 0.00 2.28 -0.26 -1.96 -3.47 115.58 112.62 2ql0 h ASN 22 Ca 0.12 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2ql0 h ASN 22 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2ql0 h ASN 22 CO -0.01 0.05 0.00 0.61 -1.06 0.00 0.00 177.43 177.02 2ql0 n GLY 23 N 1.27 1.00 3.49 2.83 0.00 -0.91 -5.01 105.19 107.86 2ql0 n GLY 23 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 1.64 0.22 1.61 1.01 0.11 -4.89 120.40 118.11 2ql0 s VAL 24 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2ql0 s VAL 24 Cb 0.00 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 2ql0 s VAL 24 CO 0.00 0.00 -0.13 -0.54 0.00 0.00 0.00 175.10 174.43 2ql0 s LYS 25 N -4.99 1.39 -0.70 2.72 3.01 -1.26 -4.05 119.74 115.86 2ql0 s LYS 25 Ca 0.69 -1.64 -0.27 0.00 -1.01 0.00 0.00 55.97 53.74 2ql0 s LYS 25 Cb -0.16 -1.17 0.00 0.00 -1.01 0.00 0.00 37.83 35.49 2ql0 s LYS 25 CO 0.59 0.17 1.57 -1.25 0.51 0.00 0.00 175.35 176.94 2ql0 s PRO 26 N -3.65 2.93 0.00 -1.68 0.04 -1.26 -3.28 135.00 128.09 2ql0 s PRO 26 Ca 0.24 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2ql0 s PRO 26 Cb -0.00 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2ql0 s PRO 26 CO 0.08 -2.46 0.00 0.41 0.04 0.00 0.00 177.00 175.07 2ql0 n GLY 27 N 5.63 0.75 2.87 0.56 0.00 -1.25 -5.02 105.19 108.73 2ql0 n GLY 27 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.69 1.87 0.60 2.61 2.01 -1.21 -5.10 115.64 115.74 2ql0 s THR 28 Ca 0.00 -2.49 -0.18 0.00 0.31 0.00 0.00 61.69 59.34 2ql0 s THR 28 Cb 0.00 -2.35 -0.11 0.00 0.01 0.00 0.00 72.50 70.05 2ql0 s THR 28 CO 0.00 -0.74 0.09 -1.20 -0.69 0.00 0.00 174.62 172.08 2ql0 n SER 29 N 3.87 -2.79 0.09 3.53 7.64 -1.26 -4.67 113.62 120.03 2ql0 n SER 29 Ca 0.04 0.62 0.18 0.00 1.01 0.00 0.00 58.87 60.72 2ql0 n SER 29 Cb 0.37 -0.99 0.72 0.00 -1.01 0.00 0.00 64.21 63.31 2ql0 n SER 29 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2ql0 h PHE 30 N -0.09 0.00 0.00 1.43 3.04 -1.93 0.70 116.94 120.08 2ql0 h PHE 30 Ca -0.43 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.49 2ql0 h PHE 30 Cb 1.41 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.91 2ql0 h PHE 30 CO 0.27 0.00 -0.15 -0.44 -2.02 0.00 0.00 178.31 175.97 2ql0 h ASP 31 N 0.00 0.00 -0.42 0.41 5.19 -1.89 -2.98 116.42 116.72 2ql0 h ASP 31 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2ql0 h ASP 31 Cb 0.76 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2ql0 h ASP 31 CO -0.00 0.14 0.00 0.47 -3.12 0.00 0.00 179.24 176.72 2ql0 n ASP 32 N -3.13 4.32 -4.85 6.45 10.43 0.24 -4.93 116.55 125.08 2ql0 n ASP 32 Ca 0.03 -2.63 -0.32 0.00 2.57 0.00 0.00 54.79 54.45 2ql0 n ASP 32 Cb 0.59 -0.62 -0.03 0.00 1.84 0.00 0.00 41.12 42.90 2ql0 n ASP 32 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2ql0 s LEU 33 N -1.92 3.59 0.28 0.64 1.43 -0.99 -4.75 118.68 116.97 2ql0 s LEU 33 Ca 0.39 1.48 -0.29 0.00 -1.03 0.00 0.00 54.13 54.67 2ql0 s LEU 33 Cb 0.29 -4.42 -0.09 0.00 0.03 0.00 0.00 46.19 42.00 2ql0 s LEU 33 CO 0.12 -0.60 1.08 -2.16 0.23 0.00 0.00 176.35 175.02 2ql0 s PRO 34 N -4.22 4.65 0.40 1.29 0.04 -1.26 -4.90 135.00 131.00 2ql0 s PRO 34 Ca 0.57 1.76 0.27 0.00 0.04 0.00 0.00 61.00 63.64 2ql0 s PRO 34 Cb -0.10 -3.18 1.43 0.00 0.04 0.00 0.00 34.50 32.70 2ql0 s PRO 34 CO 0.35 0.24 1.82 0.00 0.04 0.00 0.00 177.00 179.45 2ql0 h ALA 35 N 3.81 1.00 -0.93 8.56 0.00 -1.98 0.15 119.26 129.86 2ql0 h ALA 35 Ca -0.47 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 53.93 2ql0 h ALA 35 Cb 1.21 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.71 2ql0 h ALA 35 CO 0.67 0.00 0.60 -0.25 0.00 0.00 0.00 179.25 180.27 2ql0 n ASP 36 N -2.45 4.26 -4.97 0.00 9.92 -1.26 -4.95 116.55 117.10 2ql0 n ASP 36 Ca -0.01 -3.66 -0.20 0.00 -0.53 0.00 0.00 54.79 50.38 2ql0 n ASP 36 Cb 0.06 -0.84 -0.01 0.00 -0.64 0.00 0.00 41.12 39.69 2ql0 n ASP 36 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2ql0 s TRP 37 N -3.38 3.31 0.31 1.24 -0.00 0.53 -5.12 118.94 115.84 2ql0 s TRP 37 Ca 0.57 -0.10 -0.08 0.00 -0.00 0.00 0.00 56.10 56.49 2ql0 s TRP 37 Cb 0.48 -1.73 0.03 0.00 -0.00 0.00 0.00 33.47 32.25 2ql0 s TRP 37 CO 0.08 0.27 0.56 1.33 -0.00 0.00 0.00 176.95 179.19 2ql0 n VAL 38 N -1.49 0.00 -2.46 5.86 0.24 -1.26 -4.69 118.33 114.53 2ql0 n VAL 38 Ca -0.06 -1.07 -0.41 0.00 -2.04 0.00 0.00 64.34 60.76 2ql0 n VAL 38 Cb 0.57 0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 33.76 2ql0 n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ql0 n PRO 40 N 2.42 0.75 -0.09 0.00 -0.04 -1.26 -2.23 135.00 134.54 2ql0 n PRO 40 Ca 0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 2ql0 n PRO 40 Cb 0.46 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.99 1.50 0.00 0.52 0.31 -1.26 -4.95 118.33 113.46 2ql0 n VAL 41 Ca 0.18 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.63 2ql0 n VAL 41 Cb 0.08 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 30.68 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 2.42 0.00 3.92 0.00 0.00 -0.95 -4.85 105.19 105.74 2ql0 n GLY 43 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 3.58 1.11 4.61 0.00 -1.26 -4.50 121.76 125.30 2ql0 s ALA 44 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 2ql0 s ALA 44 Cb 0.00 -2.30 0.24 0.00 0.00 0.00 0.00 23.12 21.05 2ql0 s ALA 44 CO 0.00 -0.08 1.08 -0.35 0.00 0.00 0.00 175.76 176.40 2ql0 n PRO 45 N -1.79 -2.03 -0.67 0.00 -0.04 -1.26 -1.46 135.00 127.74 2ql0 n PRO 45 Ca -0.02 -1.69 -0.04 0.00 -0.04 0.00 0.00 63.50 61.70 2ql0 n PRO 45 Cb 0.55 -1.34 0.20 0.00 -0.04 0.00 0.00 33.50 32.88 2ql0 n PRO 45 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2ql0 n LYS 46 N -3.99 2.81 -0.00 0.54 5.02 -1.26 -3.71 118.16 117.57 2ql0 n LYS 46 Ca 0.14 -2.01 0.10 0.00 -2.02 0.00 0.00 58.31 54.53 2ql0 n LYS 46 Cb 0.52 -1.90 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 2ql0 n LYS 46 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2ql0 n SER 47 N -0.00 0.81 -0.05 4.39 3.41 -1.26 -4.31 113.62 116.60 2ql0 n SER 47 Ca 0.27 -0.80 -0.03 0.00 -0.26 0.00 0.00 58.87 58.05 2ql0 n SER 47 Cb 1.04 1.19 -0.10 0.00 -0.26 0.00 0.00 64.21 66.07 2ql0 n SER 47 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2ql0 n GLU 48 N -1.64 1.53 -1.86 4.33 0.28 -1.24 -4.95 120.64 117.08 2ql0 n GLU 48 Ca 0.02 -0.04 -0.42 0.00 -0.16 0.00 0.00 57.16 56.56 2ql0 n GLU 48 Cb 0.37 -1.33 -0.03 0.00 1.43 0.00 0.00 31.44 31.88 2ql0 n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2ql0 s PHE 49 N -2.48 1.67 0.67 -1.84 0.40 -1.26 -4.42 117.98 110.72 2ql0 s PHE 49 Ca -0.06 0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.26 2ql0 s PHE 49 Cb 0.05 -4.05 0.08 0.00 0.51 0.00 0.00 43.02 39.61 2ql0 s PHE 49 CO 0.54 -4.41 0.93 -1.83 0.70 0.00 0.00 175.22 171.15 2ql0 s GLU 50 N 4.44 2.09 -0.26 0.44 4.04 -1.06 -4.85 118.70 123.54 2ql0 s GLU 50 Ca 0.81 -0.72 -0.06 0.00 0.04 0.00 0.00 54.97 55.04 2ql0 s GLU 50 Cb -0.36 -2.32 -0.01 0.00 0.02 0.00 0.00 34.13 31.46 2ql0 s GLU 50 CO 0.34 -1.17 0.05 0.00 -1.84 0.00 0.00 175.26 172.64 2ql0 s ALA 51 N -3.07 3.03 -0.05 -0.84 0.00 -1.26 -2.46 121.76 117.11 2ql0 s ALA 51 Ca 0.62 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2ql0 s ALA 51 Cb -0.09 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2ql0 s ALA 51 CO 0.43 -0.67 0.01 0.00 0.00 0.00 0.00 175.76 175.53