#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8b n SER 2 N 0.00 1.19 0.00 1.61 7.64 -1.26 -4.54 113.62 118.26 2f8b n SER 2 Ca 0.00 -1.10 0.11 0.00 1.01 0.00 0.00 58.87 58.90 2f8b n SER 2 Cb 0.00 0.32 0.52 0.00 -1.01 0.00 0.00 64.21 64.05 2f8b n SER 2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2f8b n HIS 3 N -0.09 0.00 -3.94 1.43 -0.00 -1.26 -4.71 115.22 106.65 2f8b n HIS 3 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.66 2f8b n HIS 3 Cb 0.16 -0.43 -0.10 0.00 -0.00 0.00 0.00 29.99 29.61 2f8b n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2f8b s MET 4 N -2.87 0.41 -0.02 1.57 -2.45 -1.26 -5.17 119.30 109.51 2f8b s MET 4 Ca 0.15 -0.58 -0.14 0.00 -1.25 0.00 0.00 55.69 53.87 2f8b s MET 4 Cb 0.15 0.16 0.02 0.00 1.25 0.00 0.00 34.83 36.41 2f8b s MET 4 CO 0.40 -0.08 0.29 0.00 1.05 0.00 0.00 175.02 176.68 2f8b s ALA 5 N -1.65 -0.73 0.02 4.11 0.00 -1.26 -4.94 121.76 117.31 2f8b s ALA 5 Ca -0.14 0.31 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 2f8b s ALA 5 Cb -0.08 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 2f8b s ALA 5 CO -0.01 -0.25 -0.03 -1.21 0.00 0.00 0.00 175.76 174.27 2f8b s GLU 6 N -1.23 0.33 -1.39 0.00 2.02 -1.26 -5.07 118.70 112.10 2f8b s GLU 6 Ca -0.13 -0.63 -0.09 0.00 0.02 0.00 0.00 54.97 54.14 2f8b s GLU 6 Cb -0.05 0.12 -0.08 0.00 0.10 0.00 0.00 34.13 34.21 2f8b s GLU 6 CO 0.04 -0.05 2.74 -0.35 0.02 0.00 0.00 175.26 177.66 2f8b n PRO 7 N 1.53 3.21 0.05 0.39 -0.04 -1.26 -3.71 135.00 135.18 2f8b n PRO 7 Ca -0.24 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 2f8b n PRO 7 Cb 0.55 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 2f8b n PRO 7 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2f8b n GLN 8 N 3.72 0.00 -1.54 0.54 3.00 -1.26 -3.84 117.38 117.99 2f8b n GLN 8 Ca 0.68 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 57.30 2f8b n GLN 8 Cb 0.22 -0.27 -0.05 0.00 0.00 0.00 0.00 30.24 30.15 2f8b n GLN 8 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2f8b n ARG 9 N -3.16 0.97 -4.18 -1.09 0.00 -1.24 -0.11 116.66 107.85 2f8b n ARG 9 Ca 0.00 0.03 -0.16 0.00 -0.00 0.00 0.00 57.85 57.72 2f8b n ARG 9 Cb 0.12 -3.19 -0.12 0.00 0.00 0.00 0.00 32.46 29.27 2f8b n ARG 9 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2f8b s HIS 10 N 11.55 0.89 -0.36 -0.14 3.76 -0.10 -4.97 115.29 125.91 2f8b s HIS 10 Ca 1.03 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 55.56 2f8b s HIS 10 Cb -0.33 -0.52 0.11 0.00 1.11 0.00 0.00 32.58 32.95 2f8b s HIS 10 CO 0.30 -0.02 0.15 0.15 -0.85 0.00 0.00 174.74 174.47 2f8b s LYS 11 N -1.25 1.02 -0.82 1.40 1.02 -1.25 -1.48 119.74 118.36 2f8b s LYS 11 Ca -0.04 -1.53 -0.21 0.00 0.02 0.00 0.00 55.97 54.22 2f8b s LYS 11 Cb -0.08 -2.25 0.09 0.00 -0.52 0.00 0.00 37.83 35.07 2f8b s LYS 11 CO 0.01 -1.05 1.12 0.42 -0.92 0.00 0.00 175.35 174.92 2f8b s ILE 12 N 1.04 4.40 -0.41 2.17 1.01 -0.59 -4.87 121.20 123.95 2f8b s ILE 12 Ca 0.13 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 59.65 2f8b s ILE 12 Cb -0.20 -4.79 -0.04 0.00 0.01 0.00 0.00 42.46 37.43 2f8b s ILE 12 CO -0.13 -1.57 2.13 -0.22 0.00 0.00 0.00 174.94 175.15 2f8b s LEU 13 N 3.73 3.41 0.00 2.97 0.20 -1.26 -0.68 118.68 127.05 2f8b s LEU 13 Ca 0.30 1.19 0.00 0.00 0.69 0.00 0.00 54.13 56.31 2f8b s LEU 13 Cb -0.09 -2.98 0.00 0.00 -0.43 0.00 0.00 46.19 42.69 2f8b s LEU 13 CO -0.00 -2.31 0.00 0.00 -0.29 0.00 0.00 176.35 173.75 2f8b s VAL 15 N -0.63 1.91 0.19 0.00 -7.23 -1.26 -0.56 120.40 112.81 2f8b s VAL 15 Ca 0.00 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 2f8b s VAL 15 Cb -0.00 -1.89 -0.08 0.00 0.56 0.00 0.00 36.38 34.97 2f8b s VAL 15 CO 0.00 -0.28 1.10 0.00 -0.31 0.00 0.00 175.10 175.61 2f8b n LYS 18 N -5.28 0.61 0.00 0.00 2.85 -1.26 -4.56 118.16 110.51 2f8b n LYS 18 Ca 0.06 -0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 2f8b n LYS 18 Cb 0.28 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 2f8b n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2f8b n ASP 20 N -0.04 -4.36 -4.79 0.00 2.03 0.01 -4.89 116.55 104.51 2f8b n ASP 20 Ca 0.00 0.24 -0.35 0.00 0.52 0.00 0.00 54.79 55.20 2f8b n ASP 20 Cb 0.22 -3.43 -0.03 0.00 -0.72 0.00 0.00 41.12 37.16 2f8b n ASP 20 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2f8b s GLY 21 N -2.03 2.61 0.12 0.27 0.00 -1.26 -4.35 107.32 102.68 2f8b s GLY 21 Ca 0.00 0.67 -0.31 0.00 0.00 0.00 0.00 44.72 45.08 2f8b s GLY 21 CO 0.00 1.03 1.76 -1.60 0.00 0.00 0.00 173.10 174.29 2f8b s ARG 22 N -2.93 4.16 -0.22 2.90 3.00 -1.26 -0.23 118.95 124.35 2f8b s ARG 22 Ca 0.64 2.52 0.01 0.00 -1.00 0.00 0.00 55.73 57.89 2f8b s ARG 22 Cb -0.19 -3.51 0.05 0.00 0.00 0.00 0.00 34.95 31.30 2f8b s ARG 22 CO 0.24 -0.79 -0.07 0.42 0.00 0.00 0.00 175.30 175.09 2f8b s ILE 23 N 2.45 1.58 -0.56 4.11 1.01 0.27 -4.90 121.20 125.17 2f8b s ILE 23 Ca 0.78 -1.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.00 2f8b s ILE 23 Cb -0.45 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 2f8b s ILE 23 CO 0.35 -0.01 1.72 -0.70 0.00 0.00 0.00 174.94 176.30 2f8b s GLU 24 N 1.39 2.92 -1.19 2.79 2.12 -1.26 -0.31 118.70 125.16 2f8b s GLU 24 Ca -0.04 0.67 -0.18 0.00 0.36 0.00 0.00 54.97 55.78 2f8b s GLU 24 Cb -0.18 -4.29 0.11 0.00 0.26 0.00 0.00 34.13 30.03 2f8b s GLU 24 CO -0.07 -2.38 1.53 -0.51 -0.54 0.00 0.00 175.26 173.29 2f8b s LEU 25 N 7.89 4.30 -0.80 2.70 1.43 0.14 -4.92 118.68 129.42 2f8b s LEU 25 Ca 0.64 -2.42 -0.25 0.00 -1.03 0.00 0.00 54.13 51.07 2f8b s LEU 25 Cb -0.14 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 2f8b s LEU 25 CO 0.23 -1.08 1.93 -0.89 0.23 0.00 0.00 176.35 176.77 2f8b s THR 26 N 3.34 3.41 0.51 5.49 2.01 -1.26 -1.54 115.64 127.60 2f8b s THR 26 Ca 0.47 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.26 2f8b s THR 26 Cb 0.00 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2f8b s THR 26 CO 0.01 -0.92 0.79 0.68 -0.69 0.00 0.00 174.62 174.49 2f8b s VAL 27 N 9.83 4.29 -0.31 3.82 -7.23 -0.55 -4.93 120.40 125.31 2f8b s VAL 27 Ca 0.70 -0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.82 2f8b s VAL 27 Cb -0.09 -3.64 0.10 0.00 0.56 0.00 0.00 36.38 33.31 2f8b s VAL 27 CO 0.07 -0.59 0.07 -1.61 -0.31 0.00 0.00 175.10 172.72 2f8b s GLU 28 N -4.77 1.07 0.03 4.82 2.02 -1.26 -0.92 118.70 119.69 2f8b s GLU 28 Ca 0.49 -1.35 -0.28 0.00 0.02 0.00 0.00 54.97 53.85 2f8b s GLU 28 Cb -0.10 -2.49 0.09 0.00 0.10 0.00 0.00 34.13 31.74 2f8b s GLU 28 CO 0.43 -0.93 0.93 0.45 0.02 0.00 0.00 175.26 176.16 2f8b s SER 29 N 1.34 -0.30 0.46 -0.19 0.15 0.84 -4.83 113.70 111.17 2f8b s SER 29 Ca 0.09 -0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.41 2f8b s SER 29 Cb -0.18 0.39 -0.11 0.00 -1.71 0.00 0.00 66.02 64.42 2f8b s SER 29 CO -0.17 -0.67 0.72 -1.20 1.20 0.00 0.00 173.24 173.13 2f8b n SER 30 N -0.30 -0.10 -0.26 5.45 7.64 -1.25 -4.35 113.62 120.45 2f8b n SER 30 Ca -0.08 0.92 0.10 0.00 1.01 0.00 0.00 58.87 60.81 2f8b n SER 30 Cb 0.61 -1.22 0.35 0.00 -1.01 0.00 0.00 64.21 62.94 2f8b n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2f8b h ALA 31 N 0.93 1.75 0.00 -0.43 0.00 -1.92 0.09 119.26 119.69 2f8b h ALA 31 Ca -0.43 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2f8b h ALA 31 Cb 1.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2f8b h ALA 31 CO 0.52 0.05 -0.55 0.93 0.00 0.00 0.00 179.25 180.20 2f8b h GLU 32 N 0.76 0.00 -0.19 0.00 5.08 -1.96 1.00 114.58 119.27 2f8b h GLU 32 Ca 0.41 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.72 2f8b h GLU 32 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2f8b h GLU 32 CO -0.18 0.55 -0.10 0.22 -1.00 0.00 0.00 179.01 178.50 2f8b h ASP 33 N 0.00 0.41 -0.61 1.42 3.58 -1.37 0.11 116.42 119.97 2f8b h ASP 33 Ca -0.01 -0.42 0.05 0.00 0.42 0.00 0.00 57.03 57.07 2f8b h ASP 33 Cb 1.40 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.29 2f8b h ASP 33 CO 0.07 0.75 0.34 0.25 -2.88 0.00 0.00 179.24 177.77 2f8b h LEU 34 N 0.08 0.51 -0.63 2.28 6.46 -1.11 -0.78 115.31 122.13 2f8b h LEU 34 Ca 0.04 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2f8b h LEU 34 Cb 0.60 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 2f8b h LEU 34 CO 0.03 0.35 0.30 -0.09 -0.62 0.00 0.00 178.44 178.41 2f8b h ARG 35 N 0.65 0.90 -0.27 1.25 2.43 -0.63 0.37 114.38 119.07 2f8b h ARG 35 Ca 0.26 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2f8b h ARG 35 Cb 0.13 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2f8b h ARG 35 CO -0.15 0.72 0.16 1.15 -1.51 0.00 0.00 179.97 180.34 2f8b h THR 36 N 0.86 1.04 -1.01 0.20 2.02 -0.32 0.65 112.91 116.35 2f8b h THR 36 Ca 0.22 -0.12 0.15 0.00 0.77 0.00 0.00 66.41 67.43 2f8b h THR 36 Cb 0.11 0.67 -0.09 0.00 -1.74 0.00 0.00 68.15 67.10 2f8b h THR 36 CO -0.03 0.06 0.63 0.25 0.37 0.00 0.00 175.52 176.80 2f8b h LEU 37 N 0.34 0.88 -0.98 2.58 5.85 -0.49 -1.13 115.31 122.36 2f8b h LEU 37 Ca 0.11 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 2f8b h LEU 37 Cb -0.01 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2f8b h LEU 37 CO -0.04 0.41 -0.50 -0.61 -0.34 0.00 0.00 178.44 177.35 2f8b h GLN 38 N 0.91 0.01 -0.19 1.25 4.15 0.96 0.35 115.11 122.56 2f8b h GLN 38 Ca 0.53 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.80 2f8b h GLN 38 Cb 0.65 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 2f8b h GLN 38 CO -0.31 0.52 -0.47 1.96 -1.93 0.00 0.00 178.83 178.59 2f8b h GLN 39 N 0.01 0.49 -0.06 1.69 1.08 0.25 0.60 115.11 119.18 2f8b h GLN 39 Ca -0.00 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 56.87 2f8b h GLN 39 Cb 0.90 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 2f8b h GLN 39 CO 0.07 0.86 -0.19 -0.07 -0.95 0.00 0.00 178.83 178.55 2f8b h LEU 40 N 0.40 0.09 -0.17 1.46 3.38 -0.52 0.18 115.31 120.12 2f8b h LEU 40 Ca 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2f8b h LEU 40 Cb 0.98 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2f8b h LEU 40 CO 0.09 0.29 -0.00 0.15 0.09 0.00 0.00 178.44 179.05 2f8b h PHE 41 N 0.09 0.33 0.00 1.13 3.04 -0.33 0.88 116.94 122.07 2f8b h PHE 41 Ca 0.02 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.85 2f8b h PHE 41 Cb 0.39 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 2f8b h PHE 41 CO 0.00 0.52 -0.28 -0.07 -2.02 0.00 0.00 178.31 176.46 2f8b h LEU 42 N 0.05 0.00 0.00 0.59 3.38 -0.56 -3.18 115.31 115.58 2f8b h LEU 42 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2f8b h LEU 42 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2f8b h LEU 42 CO 0.01 0.28 0.00 -0.24 0.09 0.00 0.00 178.44 178.58 2f8b n SER 43 N -3.77 0.00 0.00 -0.43 2.88 0.60 -4.92 113.62 107.98 2f8b n SER 43 Ca -0.01 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2f8b n SER 43 Cb 0.38 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2f8b n SER 43 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2f8b n THR 44 N -0.81 0.00 -1.82 2.46 -2.24 -0.59 -5.08 114.28 106.20 2f8b n THR 44 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2f8b n THR 44 Cb 0.00 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 2f8b n THR 44 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2f8b s LEU 45 N -0.61 3.85 0.38 3.22 0.20 0.20 -4.95 118.68 120.96 2f8b s LEU 45 Ca 0.00 1.95 0.07 0.00 0.69 0.00 0.00 54.13 56.85 2f8b s LEU 45 Cb 0.00 -3.52 -0.00 0.00 -0.43 0.00 0.00 46.19 42.23 2f8b s LEU 45 CO 0.00 -1.48 0.49 -0.44 -0.29 0.00 0.00 176.35 174.63 2f8b s SER 46 N 5.82 5.68 0.10 3.68 0.01 -1.26 -4.35 113.70 123.37 2f8b s SER 46 Ca 0.86 -0.38 0.09 0.00 1.31 0.00 0.00 55.95 57.83 2f8b s SER 46 Cb -0.32 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.99 2f8b s SER 46 CO 0.35 -0.60 -0.22 0.12 0.41 0.00 0.00 173.24 173.30 2f8b s PHE 47 N -2.30 1.89 -0.19 2.43 2.19 -1.26 -4.96 117.98 115.79 2f8b s PHE 47 Ca 0.49 -0.41 -0.05 0.00 0.33 0.00 0.00 56.93 57.30 2f8b s PHE 47 Cb -0.09 -1.04 0.07 0.00 -1.31 0.00 0.00 43.02 40.65 2f8b s PHE 47 CO 0.31 0.22 0.09 0.08 1.83 0.00 0.00 175.22 177.76 2f8b s VAL 48 N -1.12 -0.03 0.54 3.12 1.01 -1.26 -1.19 120.40 121.48 2f8b s VAL 48 Ca 0.08 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 2f8b s VAL 48 Cb -0.10 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2f8b s VAL 48 CO 0.04 -0.35 1.35 0.00 0.00 0.00 0.00 175.10 176.15 2f8b h PRO 50 N 1.50 0.00 0.28 0.00 0.13 -2.00 0.21 132.00 132.11 2f8b h PRO 50 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2f8b h PRO 50 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2f8b h PRO 50 CO 0.57 0.00 -0.20 2.35 -0.23 0.00 0.00 178.00 180.49 2f8b h TRP 51 N 0.00 -0.55 0.00 1.56 7.01 -1.99 -1.31 115.95 120.67 2f8b h TRP 51 Ca 0.01 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2f8b h TRP 51 Cb 0.07 0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 2f8b h TRP 51 CO 0.00 -0.29 0.00 0.00 -2.79 0.00 0.00 178.44 175.36 2f8b h ALA 53 N 2.19 0.46 -0.11 0.00 0.00 -0.54 -0.05 119.26 121.22 2f8b h ALA 53 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2f8b h ALA 53 Cb 0.50 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2f8b h ALA 53 CO 0.00 0.41 -0.18 1.15 0.00 0.00 0.00 179.25 180.64 2f8b h THR 54 N 0.48 1.38 0.00 0.00 2.02 -0.64 -3.30 112.91 112.84 2f8b h THR 54 Ca 0.07 -1.42 -0.03 0.00 0.77 0.00 0.00 66.41 65.80 2f8b h THR 54 Cb 0.75 2.05 -0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2f8b h THR 54 CO 0.06 0.41 -0.15 0.78 0.37 0.00 0.00 175.52 176.98 2f8b h ASN 55 N -0.11 0.00 0.00 4.18 2.35 -1.04 -3.51 115.58 117.45 2f8b h ASN 55 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2f8b h ASN 55 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2f8b h ASN 55 CO 0.04 0.15 0.00 1.67 -1.65 0.00 0.00 177.43 177.64