#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh9 s GLY 2 N 0.00 1.80 -0.83 8.31 0.00 -1.26 -4.96 107.32 110.38 2wh9 s GLY 2 Ca 0.00 -2.09 0.02 0.00 0.00 0.00 0.00 44.72 42.65 2wh9 s GLY 2 CO 0.00 1.51 1.05 1.18 0.00 0.00 0.00 173.10 176.84 2wh9 n GLU 3 N 6.18 3.33 -0.56 2.90 4.71 -1.26 -5.03 120.64 130.92 2wh9 n GLU 3 Ca -0.09 -4.62 0.00 0.00 -0.01 0.00 0.00 57.16 52.44 2wh9 n GLU 3 Cb 0.43 -2.37 0.00 0.00 -1.01 0.00 0.00 31.44 28.50 2wh9 n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wh9 s GLY 5 N -0.92 1.86 0.00 0.00 0.00 -1.24 -4.80 107.32 102.21 2wh9 s GLY 5 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2wh9 s GLY 5 CO 0.00 1.12 0.00 0.61 0.00 0.00 0.00 173.10 174.83 2wh9 n GLY 6 N 4.55 0.97 0.16 0.20 0.00 -1.26 -2.94 105.19 106.87 2wh9 n GLY 6 Ca -0.06 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.41 2wh9 n GLY 6 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wh9 h PHE 7 N 0.00 0.00 -0.23 1.61 3.57 -1.93 -3.28 116.94 116.67 2wh9 h PHE 7 Ca 0.00 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.24 2wh9 h PHE 7 Cb 0.00 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 38.57 2wh9 h PHE 7 CO 0.00 0.46 -0.54 1.87 -2.23 0.00 0.00 178.31 177.87 2wh9 n TRP 8 N -3.34 -2.74 -1.85 0.41 -0.00 0.37 -3.75 117.44 106.54 2wh9 n TRP 8 Ca 0.01 -2.17 -0.15 0.00 -0.00 0.00 0.00 57.50 55.20 2wh9 n TRP 8 Cb 0.65 1.38 0.09 0.00 -0.00 0.00 0.00 31.31 33.43 2wh9 n TRP 8 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 177.69 179.56 2wh9 n TRP 9 N 0.90 -3.67 -4.01 5.87 -0.00 -0.95 -4.70 117.44 110.87 2wh9 n TRP 9 Ca 0.09 -0.76 -0.32 0.00 -0.00 0.00 0.00 57.50 56.51 2wh9 n TRP 9 Cb 0.66 -0.49 -0.15 0.00 -0.00 0.00 0.00 31.31 31.33 2wh9 n TRP 9 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 2wh9 s LYS 10 N -4.30 1.90 0.00 5.87 -0.14 -1.26 -2.11 119.74 119.70 2wh9 s LYS 10 Ca 0.39 -1.61 0.07 0.00 -1.36 0.00 0.00 55.97 53.46 2wh9 s LYS 10 Cb -0.01 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 2wh9 s LYS 10 CO 0.27 -0.78 -0.21 0.00 -0.76 0.00 0.00 175.35 173.87 2wh9 n GLY 12 N 2.03 -0.78 3.55 0.00 0.00 -1.26 -4.25 105.19 104.48 2wh9 n GLY 12 Ca -0.16 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 2wh9 n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wh9 s SER 13 N -4.00 6.31 0.00 1.61 1.04 -1.26 -3.28 113.70 114.12 2wh9 s SER 13 Ca 0.00 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2wh9 s SER 13 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2wh9 s SER 13 CO 0.00 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.14 2wh9 n GLY 14 N 6.03 1.97 3.30 7.32 0.00 -1.26 -5.14 105.19 117.41 2wh9 n GLY 14 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2wh9 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh9 s LYS 15 N -0.30 1.34 0.62 1.61 -0.14 -1.21 -5.15 119.74 116.52 2wh9 s LYS 15 Ca 0.00 -1.57 -0.07 0.00 -1.36 0.00 0.00 55.97 52.96 2wh9 s LYS 15 Cb 0.00 0.33 0.01 0.00 -1.68 0.00 0.00 37.83 36.49 2wh9 s LYS 15 CO 0.00 -0.48 0.95 -1.25 -0.76 0.00 0.00 175.35 173.81 2wh9 s PRO 16 N -4.04 2.84 0.70 -1.68 0.05 -1.26 -4.72 135.00 126.89 2wh9 s PRO 16 Ca 0.35 0.07 -0.10 0.00 0.05 0.00 0.00 61.00 61.37 2wh9 s PRO 16 Cb 0.05 -2.21 0.02 0.00 0.05 0.00 0.00 34.50 32.41 2wh9 s PRO 16 CO 0.13 -0.82 1.07 0.00 0.05 0.00 0.00 177.00 177.43 2wh9 s ALA 17 N -3.09 2.95 0.85 8.56 0.00 -1.26 -4.71 121.76 125.06 2wh9 s ALA 17 Ca 0.55 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 2wh9 s ALA 17 Cb -0.11 -2.92 0.10 0.00 0.00 0.00 0.00 23.12 20.19 2wh9 s ALA 17 CO 0.46 -1.16 1.14 0.00 0.00 0.00 0.00 175.76 176.21 2wh9 h PRO 20 N -2.48 0.00 0.04 0.00 0.11 -1.97 -2.79 132.00 124.92 2wh9 h PRO 20 Ca -0.48 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.28 2wh9 h PRO 20 Cb 1.31 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.37 2wh9 h PRO 20 CO 0.41 0.03 -2.09 1.63 -0.21 0.00 0.00 178.00 177.76 2wh9 n LYS 21 N -3.51 0.69 -3.92 1.05 4.01 -1.26 -4.96 118.16 110.27 2wh9 n LYS 21 Ca -0.03 0.20 -0.24 0.00 -0.51 0.00 0.00 58.31 57.74 2wh9 n LYS 21 Cb 0.13 -1.66 -0.03 0.00 -0.51 0.00 0.00 35.03 32.96 2wh9 n LYS 21 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2wh9 s TYR 22 N -2.55 3.47 0.05 2.13 1.51 -1.05 -4.12 117.35 116.79 2wh9 s TYR 22 Ca -0.18 0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 55.95 2wh9 s TYR 22 Cb 0.07 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 2wh9 s TYR 22 CO 0.76 0.46 -0.03 0.14 -1.11 0.00 0.00 175.55 175.77 2wh9 s VAL 23 N -1.88 0.21 -0.26 0.71 -7.23 -0.76 -3.70 120.40 107.50 2wh9 s VAL 23 Ca 0.35 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 2wh9 s VAL 23 Cb -0.10 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.47 2wh9 s VAL 23 CO 0.29 -0.94 1.05 0.00 -0.31 0.00 0.00 175.10 175.19 2wh9 s SER 25 N 1.35 6.09 0.25 0.00 0.01 -0.51 -4.93 113.70 115.96 2wh9 s SER 25 Ca 0.44 2.72 0.01 0.00 1.31 0.00 0.00 55.95 60.43 2wh9 s SER 25 Cb -0.14 -2.64 0.30 0.00 0.21 0.00 0.00 66.02 63.75 2wh9 s SER 25 CO 0.09 -1.01 1.64 1.55 0.41 0.00 0.00 173.24 175.93 2wh9 h PRO 26 N 2.45 0.50 0.00 12.44 0.13 -1.95 -3.36 132.00 142.21 2wh9 h PRO 26 Ca -0.50 -0.23 -0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2wh9 h PRO 26 Cb 1.26 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2wh9 h PRO 26 CO 0.62 0.79 -0.00 -0.22 -0.23 0.00 0.00 178.00 178.96 2wh9 h LYS 27 N 0.42 -0.00 -6.18 0.86 1.63 -1.99 -3.46 116.57 107.86 2wh9 h LYS 27 Ca 0.05 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.26 2wh9 h LYS 27 Cb 0.82 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.41 2wh9 h LYS 27 CO 0.07 -0.00 -0.09 -1.58 -3.45 0.00 0.00 179.45 174.39 2wh9 s TRP 28 N -1.14 3.76 -1.44 1.91 0.52 -1.26 -4.98 118.94 116.33 2wh9 s TRP 28 Ca -0.00 1.16 -0.09 0.00 0.02 0.00 0.00 56.10 57.19 2wh9 s TRP 28 Cb 0.00 -2.42 -0.10 0.00 -1.15 0.00 0.00 33.47 29.80 2wh9 s TRP 28 CO 0.00 0.59 3.01 0.41 0.02 0.00 0.00 176.95 180.98 2wh9 n GLY 29 N 1.64 4.16 3.20 0.98 0.00 -1.26 -3.68 105.19 110.24 2wh9 n GLY 29 Ca -0.11 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 2wh9 n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh9 s LEU 30 N 0.03 2.16 -0.27 0.99 1.43 -1.26 -1.18 118.68 120.58 2wh9 s LEU 30 Ca 0.69 -1.14 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2wh9 s LEU 30 Cb 0.20 0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.40 2wh9 s LEU 30 CO -0.06 -0.58 0.14 0.00 0.23 0.00 0.00 176.35 176.08 2wh9 n ASN 32 N 4.99 0.00 -4.69 0.00 0.23 -0.87 -0.48 115.26 114.45 2wh9 n ASN 32 Ca -0.15 -3.14 -0.34 0.00 -0.53 0.00 0.00 54.58 50.42 2wh9 n ASN 32 Cb 0.51 1.41 0.12 0.00 -2.08 0.00 0.00 39.78 39.74 2wh9 n ASN 32 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2wh9 n PHE 33 N -0.72 1.36 -0.59 -2.53 3.72 -1.26 -1.83 117.46 115.60 2wh9 n PHE 33 Ca 0.03 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 2wh9 n PHE 33 Cb 0.60 -2.13 0.00 0.00 -0.94 0.00 0.00 39.48 37.00 2wh9 n PHE 33 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2wh9 n PRO 34 N -2.95 -0.17 -4.31 -1.08 -0.04 -1.26 -4.77 135.00 120.42 2wh9 n PRO 34 Ca 0.14 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.38 2wh9 n PRO 34 Cb 0.50 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.83 2wh9 n PRO 34 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2wh9 s MET 35 N -2.35 1.03 0.00 0.54 -1.94 -1.26 -5.11 119.30 110.21 2wh9 s MET 35 Ca 0.00 -1.00 0.17 0.00 -1.71 0.00 0.00 55.69 53.15 2wh9 s MET 35 Cb 0.00 -1.16 1.02 0.00 2.01 0.00 0.00 34.83 36.70 2wh9 s MET 35 CO 0.00 0.27 1.42 -0.35 -0.01 0.00 0.00 175.02 176.36