#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8b s SER 2 N 0.00 1.74 0.20 1.61 0.01 -1.26 -5.10 113.70 110.90 2f8b s SER 2 Ca 0.00 1.40 0.04 0.00 1.31 0.00 0.00 55.95 58.70 2f8b s SER 2 Cb 0.00 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 2f8b s SER 2 CO 0.00 -3.71 0.19 0.00 0.41 0.00 0.00 173.24 170.12 2f8b n HIS 3 N -4.58 -0.55 -4.42 2.43 -0.00 -1.26 -5.19 115.22 101.65 2f8b n HIS 3 Ca 0.04 -1.66 -0.21 0.00 -0.00 0.00 0.00 57.72 55.89 2f8b n HIS 3 Cb 0.55 0.20 -0.10 0.00 -0.00 0.00 0.00 29.99 30.64 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 -2.78 1.56 0.07 -1.40 -2.45 -1.26 -5.17 119.30 107.87 2f8b s MET 4 Ca 0.23 -1.83 -0.13 0.00 -1.25 0.00 0.00 55.69 52.72 2f8b s MET 4 Cb 0.01 -0.91 0.02 0.00 1.25 0.00 0.00 34.83 35.20 2f8b s MET 4 CO 0.17 -0.10 0.29 0.00 1.05 0.00 0.00 175.02 176.43 2f8b s ALA 5 N -3.23 -0.61 0.00 4.11 0.00 -1.26 -5.19 121.76 115.58 2f8b s ALA 5 Ca 0.33 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 2f8b s ALA 5 Cb 0.07 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 2f8b s ALA 5 CO 0.13 -0.49 0.07 -1.21 0.00 0.00 0.00 175.76 174.25 2f8b s GLU 6 N -3.20 0.35 -0.61 0.00 2.02 -1.26 -5.06 118.70 110.94 2f8b s GLU 6 Ca -0.00 -0.39 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 2f8b s GLU 6 Cb 0.01 0.14 -0.15 0.00 0.10 0.00 0.00 34.13 34.23 2f8b s GLU 6 CO -0.07 -0.07 2.87 -0.35 0.02 0.00 0.00 175.26 177.65 2f8b n PRO 7 N 1.79 2.29 0.03 0.39 -0.04 -1.26 -3.68 135.00 134.53 2f8b n PRO 7 Ca -0.21 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 2f8b n PRO 7 Cb 0.56 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 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 3.15 0.00 -1.58 0.54 3.00 -1.26 -3.99 117.38 117.24 2f8b n GLN 8 Ca 0.49 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 57.26 2f8b n GLN 8 Cb 0.50 -0.24 -0.06 0.00 0.00 0.00 0.00 30.24 30.44 2f8b n GLN 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2f8b s ARG 9 N -2.00 1.79 0.29 -1.09 3.00 -1.24 0.02 118.95 119.72 2f8b s ARG 9 Ca 0.00 0.78 0.05 0.00 -1.00 0.00 0.00 55.73 55.56 2f8b s ARG 9 Cb 0.00 -4.72 -0.06 0.00 0.00 0.00 0.00 34.95 30.17 2f8b s ARG 9 CO 0.00 -4.03 -0.02 -1.01 0.00 0.00 0.00 175.30 170.24 2f8b s HIS 10 N 13.80 1.90 -0.33 5.12 3.76 -0.59 -4.96 115.29 134.00 2f8b s HIS 10 Ca 0.93 -0.80 -0.01 0.00 -0.15 0.00 0.00 55.06 55.03 2f8b s HIS 10 Cb -0.14 -1.14 0.13 0.00 1.11 0.00 0.00 32.58 32.54 2f8b s HIS 10 CO 0.14 0.16 0.22 0.15 -0.85 0.00 0.00 174.74 174.55 2f8b s LYS 11 N -3.79 0.41 -0.86 1.40 1.02 -1.26 -0.70 119.74 115.96 2f8b s LYS 11 Ca 0.31 -0.85 -0.23 0.00 0.02 0.00 0.00 55.97 55.23 2f8b s LYS 11 Cb 0.06 -1.09 0.07 0.00 -0.52 0.00 0.00 37.83 36.34 2f8b s LYS 11 CO 0.12 -1.12 1.24 0.42 -0.92 0.00 0.00 175.35 175.09 2f8b s ILE 12 N 1.63 4.13 -0.31 2.17 1.01 0.50 -4.83 121.20 125.51 2f8b s ILE 12 Ca 0.14 -0.58 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 2f8b s ILE 12 Cb -0.18 -4.89 -0.03 0.00 0.01 0.00 0.00 42.46 37.37 2f8b s ILE 12 CO -0.17 -1.73 1.96 -0.22 0.00 0.00 0.00 174.94 174.79 2f8b s LEU 13 N 4.47 3.47 0.00 2.97 0.20 -1.26 -0.75 118.68 127.78 2f8b s LEU 13 Ca 0.36 1.46 0.00 0.00 0.69 0.00 0.00 54.13 56.64 2f8b s LEU 13 Cb -0.06 -3.44 0.00 0.00 -0.43 0.00 0.00 46.19 42.25 2f8b s LEU 13 CO 0.00 -1.86 0.02 0.00 -0.29 0.00 0.00 176.35 174.23 2f8b s VAL 15 N -1.13 2.28 0.11 0.00 -7.23 -1.26 -0.71 120.40 112.46 2f8b s VAL 15 Ca 0.01 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 57.82 2f8b s VAL 15 Cb -0.00 -2.10 -0.07 0.00 0.56 0.00 0.00 36.38 34.77 2f8b s VAL 15 CO 0.01 -0.18 1.22 0.00 -0.31 0.00 0.00 175.10 175.84 2f8b n LYS 18 N -4.40 0.80 0.00 0.00 -0.00 -1.26 -4.66 118.16 108.64 2f8b n LYS 18 Ca 0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2f8b n LYS 18 Cb 0.12 -1.38 0.00 0.00 -0.00 0.00 0.00 35.03 33.78 2f8b n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2f8b n ASP 20 N -0.05 -4.91 -4.78 0.00 2.03 0.51 -4.89 116.55 104.45 2f8b n ASP 20 Ca 0.00 0.22 -0.36 0.00 0.52 0.00 0.00 54.79 55.18 2f8b n ASP 20 Cb 0.27 -3.66 -0.03 0.00 -0.72 0.00 0.00 41.12 36.99 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 -2.12 2.67 -0.10 0.27 0.00 -1.26 -4.37 107.32 102.42 2f8b s GLY 21 Ca 0.00 0.75 -0.29 0.00 0.00 0.00 0.00 44.72 45.18 2f8b s GLY 21 CO 0.00 1.15 1.91 -1.60 0.00 0.00 0.00 173.10 174.56 2f8b s ARG 22 N -2.84 3.81 -0.25 2.90 3.00 -1.26 -0.07 118.95 124.23 2f8b s ARG 22 Ca 0.64 2.19 0.02 0.00 -1.00 0.00 0.00 55.73 57.57 2f8b s ARG 22 Cb -0.22 -4.17 0.05 0.00 0.00 0.00 0.00 34.95 30.61 2f8b s ARG 22 CO 0.27 -1.32 -0.11 0.42 0.00 0.00 0.00 175.30 174.57 2f8b s ILE 23 N 5.57 2.33 -1.12 4.11 1.01 0.11 -4.92 121.20 128.29 2f8b s ILE 23 Ca 0.86 -1.42 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 2f8b s ILE 23 Cb -0.35 -2.28 0.10 0.00 0.01 0.00 0.00 42.46 39.94 2f8b s ILE 23 CO 0.36 0.09 1.45 -0.70 0.00 0.00 0.00 174.94 176.13 2f8b s GLU 24 N 1.18 3.81 -0.81 2.79 2.12 -1.26 -0.26 118.70 126.27 2f8b s GLU 24 Ca -0.05 -1.84 -0.25 0.00 0.36 0.00 0.00 54.97 53.19 2f8b s GLU 24 Cb -0.18 -5.24 -0.01 0.00 0.26 0.00 0.00 34.13 28.96 2f8b s GLU 24 CO -0.06 -2.02 1.73 -0.51 -0.54 0.00 0.00 175.26 173.87 2f8b s LEU 25 N 3.46 3.26 -0.50 2.70 1.43 0.07 -4.86 118.68 124.25 2f8b s LEU 25 Ca 0.44 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 2f8b s LEU 25 Cb -0.01 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.69 2f8b s LEU 25 CO -0.03 -2.28 1.11 -0.89 0.23 0.00 0.00 176.35 174.49 2f8b s THR 26 N 8.24 4.21 -0.17 5.49 2.01 -1.26 -0.37 115.64 133.79 2f8b s THR 26 Ca 0.60 1.08 0.01 0.00 0.31 0.00 0.00 61.69 63.68 2f8b s THR 26 Cb -0.08 -4.60 0.03 0.00 0.01 0.00 0.00 72.50 67.86 2f8b s THR 26 CO 0.07 -1.05 -0.13 0.68 -0.69 0.00 0.00 174.62 173.50 2f8b s VAL 27 N 4.44 1.60 -0.61 3.82 -7.23 0.13 -4.98 120.40 117.56 2f8b s VAL 27 Ca 0.45 -0.78 -0.24 0.00 -1.81 0.00 0.00 61.98 59.60 2f8b s VAL 27 Cb -0.08 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.34 2f8b s VAL 27 CO 0.30 0.34 0.99 -1.61 -0.31 0.00 0.00 175.10 174.81 2f8b s GLU 28 N 1.45 3.23 0.03 4.82 2.02 -1.26 -1.54 118.70 127.46 2f8b s GLU 28 Ca 0.03 -0.47 -0.27 0.00 0.02 0.00 0.00 54.97 54.27 2f8b s GLU 28 Cb -0.14 -4.13 0.09 0.00 0.10 0.00 0.00 34.13 30.05 2f8b s GLU 28 CO -0.10 -1.69 0.77 0.45 0.02 0.00 0.00 175.26 174.71 2f8b s SER 29 N 3.26 -0.48 0.42 -0.19 0.15 0.10 -4.85 113.70 112.11 2f8b s SER 29 Ca 0.28 0.15 -0.24 0.00 0.70 0.00 0.00 55.95 56.83 2f8b s SER 29 Cb -0.14 0.47 -0.11 0.00 -1.71 0.00 0.00 66.02 64.54 2f8b s SER 29 CO 0.15 -0.71 0.99 -1.20 1.20 0.00 0.00 173.24 173.67 2f8b n SER 30 N -0.02 1.15 -0.33 5.45 7.64 -1.26 -4.31 113.62 121.94 2f8b n SER 30 Ca -0.13 1.03 0.06 0.00 1.01 0.00 0.00 58.87 60.84 2f8b n SER 30 Cb 0.62 -1.34 0.22 0.00 -1.01 0.00 0.00 64.21 62.70 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 1.51 1.39 -0.07 -0.43 0.00 -1.91 -0.49 119.26 119.26 2f8b h ALA 31 Ca -0.44 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 2f8b h ALA 31 Cb 1.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2f8b h ALA 31 CO 0.57 0.14 -0.58 0.93 0.00 0.00 0.00 179.25 180.31 2f8b h GLU 32 N 0.88 0.22 -0.16 0.00 5.08 -1.95 0.45 114.58 119.09 2f8b h GLU 32 Ca 0.46 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 2f8b h GLU 32 Cb 0.48 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2f8b h GLU 32 CO -0.27 0.74 -0.06 0.22 -1.00 0.00 0.00 179.01 178.64 2f8b h ASP 33 N 0.16 0.33 -0.97 1.42 3.58 -1.58 0.15 116.42 119.51 2f8b h ASP 33 Ca -0.00 -0.39 0.09 0.00 0.42 0.00 0.00 57.03 57.15 2f8b h ASP 33 Cb 1.08 -0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.96 2f8b h ASP 33 CO 0.09 0.65 0.61 0.25 -2.88 0.00 0.00 179.24 177.96 2f8b h LEU 34 N 0.02 0.93 -0.10 2.28 6.46 -0.98 -0.67 115.31 123.24 2f8b h LEU 34 Ca 0.04 0.03 -0.15 0.00 -0.12 0.00 0.00 57.88 57.68 2f8b h LEU 34 Cb 0.51 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2f8b h LEU 34 CO 0.02 0.54 -0.52 -0.09 -0.62 0.00 0.00 178.44 177.78 2f8b h ARG 35 N 1.04 0.53 -0.17 1.25 2.43 -0.75 0.29 114.38 118.98 2f8b h ARG 35 Ca 0.46 -0.43 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2f8b h ARG 35 Cb 0.34 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 2f8b h ARG 35 CO -0.22 1.06 -0.16 1.15 -1.51 0.00 0.00 179.97 180.29 2f8b h THR 36 N 0.13 0.57 -0.98 0.20 2.02 -0.37 0.16 112.91 114.63 2f8b h THR 36 Ca -0.04 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.29 2f8b h THR 36 Cb 1.16 0.57 -0.09 0.00 -1.74 0.00 0.00 68.15 68.05 2f8b h THR 36 CO 0.11 0.00 0.62 0.25 0.37 0.00 0.00 175.52 176.86 2f8b h LEU 37 N -0.18 0.83 -1.30 2.58 5.85 -0.96 0.16 115.31 122.29 2f8b h LEU 37 Ca 0.11 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2f8b h LEU 37 Cb 0.34 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2f8b h LEU 37 CO -0.28 0.40 -0.34 -0.61 -0.34 0.00 0.00 178.44 177.27 2f8b h GLN 38 N 0.86 0.00 -0.19 1.25 4.15 0.12 -0.88 115.11 120.43 2f8b h GLN 38 Ca 0.51 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.78 2f8b h GLN 38 Cb 0.66 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 2f8b h GLN 38 CO -0.28 0.34 -0.50 1.96 -1.93 0.00 0.00 178.83 178.42 2f8b h GLN 39 N 0.00 0.51 -0.73 1.69 1.08 0.12 -0.23 115.11 117.55 2f8b h GLN 39 Ca -0.00 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 2f8b h GLN 39 Cb 0.65 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.07 2f8b h GLN 39 CO 0.04 0.89 0.43 -0.07 -0.95 0.00 0.00 178.83 179.17 2f8b h LEU 40 N 0.41 0.88 0.35 1.46 3.38 -0.34 0.28 115.31 121.72 2f8b h LEU 40 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2f8b h LEU 40 Cb 1.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2f8b h LEU 40 CO 0.09 0.69 -0.17 -0.26 0.09 0.00 0.00 178.44 178.89 2f8b h PHE 41 N 1.01 -0.43 0.00 1.13 0.04 -0.85 0.15 116.94 117.99 2f8b h PHE 41 Ca 0.26 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.01 2f8b h PHE 41 Cb -0.02 0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 2f8b h PHE 41 CO 0.00 -0.25 -0.08 -0.07 -0.60 0.00 0.00 178.31 177.32 2f8b h LEU 42 N -0.49 0.00 0.01 1.54 3.38 -0.60 -3.10 115.31 116.05 2f8b h LEU 42 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2f8b h LEU 42 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2f8b h LEU 42 CO 0.08 0.08 -0.01 -1.28 0.09 0.00 0.00 178.44 177.40 2f8b h SER 43 N 0.00 -0.01 0.00 -0.43 0.87 -0.29 -3.48 113.55 110.21 2f8b h SER 43 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2f8b h SER 43 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2f8b h SER 43 CO 0.01 0.00 0.00 0.35 -0.53 0.00 0.00 176.83 176.66 2f8b n THR 44 N -2.09 0.00 -2.30 2.23 -2.24 -0.23 -5.09 114.28 104.56 2f8b n THR 44 Ca -0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 2f8b n THR 44 Cb 0.01 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.00 3.82 0.23 3.22 0.20 0.38 -4.95 118.68 120.58 2f8b s LEU 45 Ca 0.00 2.17 -0.03 0.00 0.69 0.00 0.00 54.13 56.96 2f8b s LEU 45 Cb 0.00 -4.50 -0.03 0.00 -0.43 0.00 0.00 46.19 41.23 2f8b s LEU 45 CO 0.00 -1.09 0.23 -0.44 -0.29 0.00 0.00 176.35 174.76 2f8b s SER 46 N -1.71 0.25 0.22 3.68 0.01 -1.26 -4.45 113.70 110.43 2f8b s SER 46 Ca 0.70 -1.33 0.08 0.00 1.31 0.00 0.00 55.95 56.71 2f8b s SER 46 Cb -0.24 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 2f8b s SER 46 CO 0.27 -0.94 0.02 0.12 0.41 0.00 0.00 173.24 173.13 2f8b s PHE 47 N -4.03 2.82 -0.23 2.43 2.19 -1.26 -4.95 117.98 114.96 2f8b s PHE 47 Ca 0.35 -0.16 -0.03 0.00 0.33 0.00 0.00 56.93 57.42 2f8b s PHE 47 Cb 0.05 -1.31 0.07 0.00 -1.31 0.00 0.00 43.02 40.52 2f8b s PHE 47 CO 0.13 0.55 0.06 0.54 1.83 0.00 0.00 175.22 178.34 2f8b s VAL 48 N -1.98 0.47 0.53 3.12 0.11 -1.26 -0.94 120.40 120.45 2f8b s VAL 48 Ca 0.29 -0.72 -0.21 0.00 -2.93 0.00 0.00 61.98 58.41 2f8b s VAL 48 Cb -0.08 -1.11 -0.06 0.00 -1.53 0.00 0.00 36.38 33.60 2f8b s VAL 48 CO 0.20 -0.37 1.20 0.00 -3.33 0.00 0.00 175.10 172.80 2f8b h PRO 50 N 1.25 0.00 0.12 0.00 0.13 -2.00 0.23 132.00 131.73 2f8b h PRO 50 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2f8b h PRO 50 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2f8b h PRO 50 CO 0.56 0.05 -0.15 2.35 -0.23 0.00 0.00 178.00 180.57 2f8b h TRP 51 N 0.00 -0.42 0.00 1.56 7.01 -1.99 -1.11 115.95 120.99 2f8b h TRP 51 Ca -0.00 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.94 2f8b h TRP 51 Cb 0.09 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 2f8b h TRP 51 CO 0.00 -0.19 -0.32 0.00 -2.79 0.00 0.00 178.44 175.14 2f8b h ALA 53 N 1.68 1.14 0.07 0.00 0.00 -0.52 0.33 119.26 121.96 2f8b h ALA 53 Ca -0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 2f8b h ALA 53 Cb 0.57 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.28 2f8b h ALA 53 CO 0.04 0.56 -0.84 1.15 0.00 0.00 0.00 179.25 180.16 2f8b h THR 54 N 0.28 1.41 -0.17 0.00 2.02 -0.61 -3.31 112.91 112.54 2f8b h THR 54 Ca 0.04 -2.30 -0.09 0.00 0.77 0.00 0.00 66.41 64.83 2f8b h THR 54 Cb 0.73 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.89 2f8b h THR 54 CO 0.06 0.67 -0.28 0.78 0.37 0.00 0.00 175.52 177.13 2f8b h ASN 55 N -0.05 0.31 0.00 4.18 -0.26 -0.88 -3.51 115.58 115.37 2f8b h ASN 55 Ca -0.12 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.51 2f8b h ASN 55 Cb 1.57 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.75 2f8b h ASN 55 CO 0.16 0.59 0.00 1.67 -1.06 0.00 0.00 177.43 178.79