#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddt s ALA -1 N 0.00 0.62 1.40 4.61 0.00 -1.26 -5.16 121.76 121.97 3ddt s ALA -1 Ca 0.00 -1.29 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 3ddt s ALA -1 Cb 0.00 0.73 0.35 0.00 0.00 0.00 0.00 23.12 24.20 3ddt s ALA -1 CO 0.00 -0.49 0.85 0.00 0.00 0.00 0.00 175.76 176.12 3ddt n MET 0 N -0.07 -4.31 -1.97 0.00 -0.00 -1.26 -4.93 117.12 104.59 3ddt n MET 0 Ca -0.08 -1.27 -0.38 0.00 -0.00 0.00 0.00 57.70 55.97 3ddt n MET 0 Cb 0.63 -1.93 0.02 0.00 -0.00 0.00 0.00 33.22 31.95 3ddt n MET 0 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3ddt s GLY 1 N -2.87 2.84 0.30 3.17 0.00 -1.26 -5.06 107.32 104.43 3ddt s GLY 1 Ca 0.65 1.16 0.03 0.00 0.00 0.00 0.00 44.72 46.57 3ddt s GLY 1 CO 0.57 1.65 0.16 -1.35 0.00 0.00 0.00 173.10 174.13 3ddt s SER 2 N -1.16 1.43 -0.24 1.64 1.04 -1.26 -5.14 113.70 110.01 3ddt s SER 2 Ca 0.69 -1.55 -0.11 0.00 0.48 0.00 0.00 55.95 55.46 3ddt s SER 2 Cb -0.35 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 3ddt s SER 2 CO 0.42 -0.89 0.20 -2.28 0.98 0.00 0.00 173.24 171.66 3ddt s HIS 3 N -3.64 3.31 0.29 5.02 5.65 -1.26 -5.05 115.29 119.60 3ddt s HIS 3 Ca 0.36 0.26 -0.29 0.00 0.25 0.00 0.00 55.06 55.64 3ddt s HIS 3 Cb 0.05 -2.32 -0.13 0.00 -1.18 0.00 0.00 32.58 29.00 3ddt s HIS 3 CO 0.18 0.02 1.24 -2.30 -0.65 0.00 0.00 174.74 173.23 3ddt n PRO 4 N 4.44 1.85 -4.28 2.88 -0.02 -1.26 -4.86 135.00 133.75 3ddt n PRO 4 Ca -0.14 0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 61.72 3ddt n PRO 4 Cb 0.52 -2.19 -0.09 0.00 -0.02 0.00 0.00 33.50 31.72 3ddt n PRO 4 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3ddt s MET 5 N -1.31 2.12 0.26 -0.52 -1.94 -1.26 -0.49 119.30 116.16 3ddt s MET 5 Ca 0.61 -1.24 -0.30 0.00 -1.71 0.00 0.00 55.69 53.05 3ddt s MET 5 Cb -0.64 -2.19 -0.10 0.00 2.01 0.00 0.00 34.83 33.91 3ddt s MET 5 CO 0.58 0.44 1.32 0.00 -0.01 0.00 0.00 175.02 177.35 3ddt h LYS 7 N 4.52 0.61 -0.21 0.00 1.79 -1.96 -3.20 116.57 118.12 3ddt h LYS 7 Ca -0.47 -0.13 -0.16 0.00 -2.18 0.00 0.00 60.65 57.71 3ddt h LYS 7 Cb 1.22 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 3ddt h LYS 7 CO 0.73 0.62 -0.49 0.93 -1.08 0.00 0.00 179.45 180.15 3ddt h GLU 8 N 0.48 0.71 -3.86 3.15 4.39 -1.99 -3.39 114.58 114.07 3ddt h GLU 8 Ca 0.12 -0.48 -0.68 0.00 0.34 0.00 0.00 59.36 58.66 3ddt h GLU 8 Cb 0.27 0.07 -0.36 0.00 -0.10 0.00 0.00 28.75 28.62 3ddt h GLU 8 CO -0.00 1.10 -0.48 -1.01 -1.16 0.00 0.00 179.01 177.45 3ddt s HIS 9 N -4.01 3.44 0.37 4.33 3.76 -1.21 -4.97 115.29 117.00 3ddt s HIS 9 Ca -0.12 -2.75 0.25 0.00 -0.15 0.00 0.00 55.06 52.30 3ddt s HIS 9 Cb 0.08 -3.12 1.30 0.00 1.11 0.00 0.00 32.58 31.95 3ddt s HIS 9 CO 0.86 -0.86 2.01 0.93 -0.85 0.00 0.00 174.74 176.82 3ddt h GLU 10 N 7.23 0.00 -0.34 1.40 5.08 -1.75 -0.90 114.58 125.30 3ddt h GLU 10 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3ddt h GLU 10 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3ddt h GLU 10 CO 0.69 0.16 0.00 -3.47 -1.00 0.00 0.00 179.01 175.39 3ddt n ASP 11 N -3.65 2.22 -4.53 1.42 2.03 -1.26 -4.69 116.55 108.09 3ddt n ASP 11 Ca -0.02 -1.90 -0.34 0.00 0.52 0.00 0.00 54.79 53.06 3ddt n ASP 11 Cb 0.28 -0.22 -0.12 0.00 -0.72 0.00 0.00 41.12 40.34 3ddt n ASP 11 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3ddt s GLU 12 N -1.56 3.27 0.37 -0.67 0.41 -0.34 -5.04 118.70 115.14 3ddt s GLU 12 Ca 0.31 -0.54 -0.26 0.00 -0.41 0.00 0.00 54.97 54.07 3ddt s GLU 12 Cb 0.17 -2.76 -0.09 0.00 -1.78 0.00 0.00 34.13 29.67 3ddt s GLU 12 CO 0.23 0.42 1.14 0.15 -0.49 0.00 0.00 175.26 176.71 3ddt s LYS 13 N -0.14 4.22 -0.43 1.61 1.02 -1.26 -0.67 119.74 124.09 3ddt s LYS 13 Ca 0.02 1.79 -0.27 0.00 0.02 0.00 0.00 55.97 57.53 3ddt s LYS 13 Cb -0.13 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 3ddt s LYS 13 CO 0.03 -0.16 1.97 0.42 -0.92 0.00 0.00 175.35 176.68 3ddt s ILE 14 N -1.39 3.31 0.00 2.17 -1.09 0.36 -4.47 121.20 120.08 3ddt s ILE 14 Ca 0.54 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 3ddt s ILE 14 Cb -0.30 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 3ddt s ILE 14 CO 0.38 -0.45 0.35 -0.46 -1.23 0.00 0.00 174.94 173.53 3ddt n ASN 15 N 12.16 0.49 -4.25 3.58 0.23 -0.71 -4.88 115.26 121.87 3ddt n ASN 15 Ca 0.25 -1.12 -0.14 0.00 -0.53 0.00 0.00 54.58 53.04 3ddt n ASN 15 Cb 0.50 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.09 3ddt n ASN 15 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3ddt s ILE 16 N -0.12 0.49 -0.15 1.53 -4.36 -0.79 -1.98 121.20 115.81 3ddt s ILE 16 Ca 0.00 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 3ddt s ILE 16 Cb 0.00 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.40 3ddt s ILE 16 CO 0.00 -0.26 -0.17 -0.47 0.24 0.00 0.00 174.94 174.29 3ddt s TYR 17 N -3.80 2.36 -0.51 1.37 5.04 0.10 -0.74 117.35 121.18 3ddt s TYR 17 Ca 0.30 -1.31 -0.28 0.00 -2.44 0.00 0.00 57.07 53.35 3ddt s TYR 17 Cb 0.07 -1.68 0.01 0.00 0.35 0.00 0.00 41.96 40.71 3ddt s TYR 17 CO 0.08 -0.67 1.44 0.00 -1.34 0.00 0.00 175.55 175.06 3ddt h LEU 19 N 12.96 0.00 0.00 0.00 3.38 -1.54 0.19 115.31 130.30 3ddt h LEU 19 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3ddt h LEU 19 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3ddt h LEU 19 CO 1.15 0.07 -0.00 0.74 0.09 0.00 0.00 178.44 180.49 3ddt h THR 20 N 0.00 1.31 -0.00 0.22 2.02 -1.87 -3.32 112.91 111.26 3ddt h THR 20 Ca -0.00 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.20 3ddt h THR 20 Cb 0.41 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 3ddt h THR 20 CO 0.01 0.44 -0.16 0.00 0.37 0.00 0.00 175.52 176.18 3ddt n GLU 22 N -1.18 -3.76 -3.81 0.00 -0.58 0.63 -5.02 120.64 106.92 3ddt n GLU 22 Ca 0.11 0.58 -0.12 0.00 -0.42 0.00 0.00 57.16 57.31 3ddt n GLU 22 Cb 0.30 -4.94 -0.10 0.00 -0.57 0.00 0.00 31.44 26.13 3ddt n GLU 22 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3ddt s VAL 23 N -3.65 0.05 0.46 2.62 -7.23 -1.03 -4.98 120.40 106.64 3ddt s VAL 23 Ca 0.13 -0.39 -0.22 0.00 -1.81 0.00 0.00 61.98 59.69 3ddt s VAL 23 Cb -0.04 -0.45 -0.08 0.00 0.56 0.00 0.00 36.38 36.37 3ddt s VAL 23 CO 0.83 -0.21 1.12 -2.16 -0.31 0.00 0.00 175.10 174.36 3ddt s PRO 24 N -0.84 3.81 0.05 4.82 0.04 -1.26 -0.61 135.00 141.01 3ddt s PRO 24 Ca -0.09 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 3ddt s PRO 24 Cb -0.05 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.14 3ddt s PRO 24 CO 0.02 -0.48 0.09 -2.37 0.04 0.00 0.00 177.00 174.30 3ddt n THR 25 N -0.54 0.00 -4.28 1.26 5.66 0.08 -4.86 114.28 111.61 3ddt n THR 25 Ca 0.07 -0.17 -0.24 0.00 -3.05 0.00 0.00 64.05 60.66 3ddt n THR 25 Cb 0.49 0.14 -0.08 0.00 -1.55 0.00 0.00 70.33 69.33 3ddt n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ddt h SER 27 N 2.21 0.00 0.64 0.00 4.64 -1.92 -0.87 113.55 118.24 3ddt h SER 27 Ca -0.45 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 3ddt h SER 27 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3ddt h SER 27 CO 0.59 0.09 -0.42 0.24 -0.87 0.00 0.00 176.83 176.45 3ddt h MET 28 N 0.00 0.00 -0.03 4.77 2.86 -1.95 0.32 114.93 120.90 3ddt h MET 28 Ca -0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3ddt h MET 28 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3ddt h MET 28 CO 0.01 0.42 -0.40 0.00 1.06 0.00 0.00 176.91 178.01 3ddt h LYS 30 N 0.05 0.28 -0.25 0.00 1.63 -1.33 -1.20 116.57 115.75 3ddt h LYS 30 Ca 0.00 -0.38 -0.03 0.00 -0.85 0.00 0.00 60.65 59.39 3ddt h LYS 30 Cb 0.73 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 3ddt h LYS 30 CO 0.05 1.11 0.02 0.28 -3.45 0.00 0.00 179.45 177.47 3ddt h VAL 31 N -0.36 1.24 0.00 2.00 2.07 -0.86 -3.30 116.25 117.04 3ddt h VAL 31 Ca -0.08 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3ddt h VAL 31 Cb 1.35 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3ddt h VAL 31 CO 0.11 0.26 0.00 0.49 0.02 0.00 0.00 177.57 178.45 3ddt n PHE 32 N -4.66 0.00 -1.83 1.57 3.72 -0.37 -4.92 117.46 110.97 3ddt n PHE 32 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3ddt n PHE 32 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3ddt n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ddt n GLY 33 N 0.56 4.13 0.00 1.37 0.00 -0.56 -4.94 105.19 105.75 3ddt n GLY 33 Ca 0.00 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.21 3ddt n GLY 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ddt n ILE 34 N 0.00 0.79 -0.76 -0.61 -5.35 -1.16 -1.67 119.36 110.61 3ddt n ILE 34 Ca 0.00 0.20 0.08 0.00 -0.27 0.00 0.00 62.75 62.76 3ddt n ILE 34 Cb 0.00 -0.91 0.31 0.00 -1.74 0.00 0.00 39.64 37.30 3ddt n ILE 34 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3ddt n HIS 35 N -1.46 1.31 -0.29 4.28 8.25 -0.56 -4.63 115.22 122.11 3ddt n HIS 35 Ca 0.05 -0.71 0.10 0.00 -0.26 0.00 0.00 57.72 56.89 3ddt n HIS 35 Cb 0.18 -0.30 0.33 0.00 1.12 0.00 0.00 29.99 31.32 3ddt n HIS 35 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3ddt h LYS 36 N 3.03 0.77 0.00 -0.41 2.10 -1.24 -0.38 116.57 120.45 3ddt h LYS 36 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3ddt h LYS 36 Cb 1.48 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3ddt h LYS 36 CO 0.26 0.51 0.00 0.00 -2.00 0.00 0.00 179.45 178.22 3ddt h ALA 37 N 1.58 1.00 -2.36 0.07 0.00 -1.85 -3.48 119.26 114.23 3ddt h ALA 37 Ca 0.45 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.87 3ddt h ALA 37 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.46 3ddt h ALA 37 CO -0.22 0.00 0.29 0.00 0.00 0.00 0.00 179.25 179.33 3ddt s GLU 39 N -5.09 4.36 0.12 0.00 2.12 -1.26 -5.01 118.70 113.94 3ddt s GLU 39 Ca 0.54 0.90 -0.03 0.00 0.36 0.00 0.00 54.97 56.73 3ddt s GLU 39 Cb -0.11 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3ddt s GLU 39 CO 0.49 0.53 0.09 0.14 -0.54 0.00 0.00 175.26 175.97 3ddt s VAL 40 N -0.82 0.12 0.06 3.70 -7.23 -1.26 -1.42 120.40 113.56 3ddt s VAL 40 Ca 0.32 -1.73 -0.05 0.00 -1.81 0.00 0.00 61.98 58.72 3ddt s VAL 40 Cb -0.20 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 3ddt s VAL 40 CO 0.21 -0.56 0.08 0.00 -0.31 0.00 0.00 175.10 174.52 3ddt s ALA 41 N -3.99 0.13 0.40 1.32 0.00 -0.69 -4.89 121.76 114.03 3ddt s ALA 41 Ca 0.18 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 3ddt s ALA 41 Cb 0.07 0.36 -0.09 0.00 0.00 0.00 0.00 23.12 23.46 3ddt s ALA 41 CO -0.02 -0.42 1.12 -2.14 0.00 0.00 0.00 175.76 174.30 3ddt s PRO 42 N -3.74 4.11 0.20 0.00 0.02 -1.26 -0.72 135.00 133.61 3ddt s PRO 42 Ca 0.05 1.72 -0.04 0.00 0.02 0.00 0.00 61.00 62.75 3ddt s PRO 42 Cb 0.06 -2.65 0.16 0.00 0.02 0.00 0.00 34.50 32.09 3ddt s PRO 42 CO -0.10 -0.24 1.58 -0.07 -0.33 0.00 0.00 177.00 177.84 3ddt h LEU 43 N 2.63 0.74 0.00 -5.54 3.38 -1.69 -3.44 115.31 111.38 3ddt h LEU 43 Ca -0.48 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3ddt h LEU 43 Cb 1.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3ddt h LEU 43 CO 0.63 1.01 0.00 0.00 0.09 0.00 0.00 178.44 180.17