#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 3.04 -3.77 1.61 7.64 -1.26 -2.60 113.62 118.28 2f8b n SER 2 Ca 0.00 1.15 -0.35 0.00 1.01 0.00 0.00 58.87 60.68 2f8b n SER 2 Cb 0.00 -1.48 0.04 0.00 -1.01 0.00 0.00 64.21 61.76 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 1.69 -1.79 -0.79 1.43 -0.00 -1.26 -4.84 115.22 109.67 2f8b n HIS 3 Ca 0.10 0.36 -0.30 0.00 -0.00 0.00 0.00 57.72 57.88 2f8b n HIS 3 Cb 0.34 -3.29 -0.04 0.00 -0.00 0.00 0.00 29.99 26.99 2f8b n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2f8b n MET 4 N -4.39 1.44 -0.12 1.57 3.85 -1.07 -4.65 117.12 113.75 2f8b n MET 4 Ca -0.10 -1.46 0.00 0.00 -1.00 0.00 0.00 57.70 55.15 2f8b n MET 4 Cb 0.59 -2.58 0.00 0.00 -1.05 0.00 0.00 33.22 30.17 2f8b n MET 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2f8b n ALA 5 N 5.97 2.46 -2.18 3.17 0.00 -1.26 -4.93 120.51 123.74 2f8b n ALA 5 Ca 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 2f8b n ALA 5 Cb 0.25 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 2f8b n ALA 5 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2f8b s GLU 6 N 0.56 4.11 0.00 0.00 2.02 -1.26 -4.95 118.70 119.18 2f8b s GLU 6 Ca 0.00 0.71 -0.04 0.00 0.02 0.00 0.00 54.97 55.66 2f8b s GLU 6 Cb 0.00 -2.78 -0.17 0.00 0.10 0.00 0.00 34.13 31.28 2f8b s GLU 6 CO 0.00 0.36 2.90 -0.35 0.02 0.00 0.00 175.26 178.19 2f8b n PRO 7 N 0.46 1.55 0.00 0.39 -0.04 -1.26 -3.54 135.00 132.56 2f8b n PRO 7 Ca -0.02 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 2f8b n PRO 7 Cb 0.52 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 2.25 0.00 -1.76 0.54 3.00 -1.26 -4.10 117.38 116.05 2f8b n GLN 8 Ca 0.28 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 57.08 2f8b n GLN 8 Cb 0.73 -0.28 -0.06 0.00 0.00 0.00 0.00 30.24 30.62 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 -1.99 1.96 0.30 -1.09 3.00 -1.23 -0.18 118.95 119.72 2f8b s ARG 9 Ca 0.00 0.18 0.07 0.00 -1.00 0.00 0.00 55.73 54.98 2f8b s ARG 9 Cb 0.00 -4.89 -0.06 0.00 0.00 0.00 0.00 34.95 30.00 2f8b s ARG 9 CO 0.00 -4.05 -0.07 -1.01 0.00 0.00 0.00 175.30 170.17 2f8b s HIS 10 N 13.01 2.09 -0.29 5.12 3.76 -0.57 -4.97 115.29 133.45 2f8b s HIS 10 Ca 0.84 -0.64 -0.03 0.00 -0.15 0.00 0.00 55.06 55.07 2f8b s HIS 10 Cb -0.10 -1.20 0.10 0.00 1.11 0.00 0.00 32.58 32.49 2f8b s HIS 10 CO 0.05 0.37 0.12 0.15 -0.85 0.00 0.00 174.74 174.57 2f8b s LYS 11 N -3.69 0.31 -0.80 1.40 3.01 -1.26 -1.32 119.74 117.38 2f8b s LYS 11 Ca 0.30 -0.62 -0.22 0.00 -1.01 0.00 0.00 55.97 54.42 2f8b s LYS 11 Cb 0.03 -1.40 0.07 0.00 -1.01 0.00 0.00 37.83 35.53 2f8b s LYS 11 CO 0.13 -0.99 1.15 0.42 0.51 0.00 0.00 175.35 176.57 2f8b s ILE 12 N 1.99 4.25 -0.12 2.17 1.01 0.49 -4.82 121.20 126.17 2f8b s ILE 12 Ca 0.09 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 2f8b s ILE 12 Cb -0.16 -4.82 -0.06 0.00 0.01 0.00 0.00 42.46 37.44 2f8b s ILE 12 CO -0.32 -1.63 1.90 -0.22 0.00 0.00 0.00 174.94 174.67 2f8b s LEU 13 N 4.18 3.99 0.00 2.97 0.20 -1.26 -0.45 118.68 128.31 2f8b s LEU 13 Ca 0.31 2.10 0.00 0.00 0.69 0.00 0.00 54.13 57.23 2f8b s LEU 13 Cb -0.09 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 2f8b s LEU 13 CO 0.03 -1.36 0.00 0.00 -0.29 0.00 0.00 176.35 174.73 2f8b s VAL 15 N -1.16 2.49 0.10 0.00 -7.23 -1.26 -1.06 120.40 112.28 2f8b s VAL 15 Ca 0.00 -2.32 -0.31 0.00 -1.81 0.00 0.00 61.98 57.54 2f8b s VAL 15 Cb 0.00 -2.42 -0.08 0.00 0.56 0.00 0.00 36.38 34.44 2f8b s VAL 15 CO 0.00 -0.35 1.50 0.00 -0.31 0.00 0.00 175.10 175.94 2f8b n LYS 18 N -4.59 4.89 -0.00 0.00 2.85 -1.26 -4.68 118.16 115.36 2f8b n LYS 18 Ca 0.26 -0.13 0.02 0.00 -1.05 0.00 0.00 58.31 57.41 2f8b n LYS 18 Cb 0.93 -0.64 -0.03 0.00 -0.65 0.00 0.00 35.03 34.64 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 -1.26 -4.12 -4.84 0.00 2.03 0.56 -4.89 116.55 104.03 2f8b n ASP 20 Ca 0.00 0.36 -0.34 0.00 0.52 0.00 0.00 54.79 55.34 2f8b n ASP 20 Cb 0.09 -3.74 -0.06 0.00 -0.72 0.00 0.00 41.12 36.69 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 -2.29 2.44 0.02 0.27 0.00 -1.26 -4.61 107.32 101.89 2f8b s GLY 21 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 2f8b s GLY 21 CO 0.00 0.26 1.71 -1.60 0.00 0.00 0.00 173.10 173.46 2f8b s ARG 22 N -2.44 4.18 -0.06 2.90 3.00 -1.26 -0.02 118.95 125.25 2f8b s ARG 22 Ca 0.46 2.33 0.02 0.00 -1.00 0.00 0.00 55.73 57.55 2f8b s ARG 22 Cb -0.13 -3.83 0.01 0.00 0.00 0.00 0.00 34.95 31.00 2f8b s ARG 22 CO 0.19 -0.81 -0.13 0.42 0.00 0.00 0.00 175.30 174.97 2f8b s ILE 23 N 3.45 1.19 -0.98 4.11 1.01 -0.22 -4.89 121.20 124.86 2f8b s ILE 23 Ca 0.76 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.77 2f8b s ILE 23 Cb -0.38 -1.07 0.22 0.00 0.01 0.00 0.00 42.46 41.24 2f8b s ILE 23 CO 0.33 0.36 1.00 -0.70 0.00 0.00 0.00 174.94 175.94 2f8b s GLU 24 N 0.60 3.86 -0.63 2.79 2.12 -1.26 -0.28 118.70 125.90 2f8b s GLU 24 Ca -0.14 -2.65 -0.27 0.00 0.36 0.00 0.00 54.97 52.28 2f8b s GLU 24 Cb -0.15 -4.60 -0.01 0.00 0.26 0.00 0.00 34.13 29.62 2f8b s GLU 24 CO 0.04 -1.39 1.77 -0.51 -0.54 0.00 0.00 175.26 174.63 2f8b s LEU 25 N 0.15 3.27 -0.38 2.70 1.43 0.40 -4.79 118.68 121.46 2f8b s LEU 25 Ca 0.27 0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 53.39 2f8b s LEU 25 Cb -0.09 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.60 2f8b s LEU 25 CO -0.08 -2.29 0.65 -0.89 0.23 0.00 0.00 176.35 173.97 2f8b s THR 26 N 8.55 4.86 -0.16 5.49 2.01 -1.26 -0.38 115.64 134.76 2f8b s THR 26 Ca 0.62 0.45 0.01 0.00 0.31 0.00 0.00 61.69 63.09 2f8b s THR 26 Cb -0.12 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.28 2f8b s THR 26 CO 0.20 -0.41 -0.18 0.68 -0.69 0.00 0.00 174.62 174.21 2f8b s VAL 27 N 2.77 1.88 -0.71 3.82 -7.23 -0.44 -4.98 120.40 115.51 2f8b s VAL 27 Ca 0.24 -0.84 -0.26 0.00 -1.81 0.00 0.00 61.98 59.31 2f8b s VAL 27 Cb -0.14 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.13 2f8b s VAL 27 CO 0.16 0.51 1.22 -1.61 -0.31 0.00 0.00 175.10 175.07 2f8b s GLU 28 N 1.20 3.21 0.06 4.82 2.02 -1.26 -1.51 118.70 127.26 2f8b s GLU 28 Ca 0.01 -0.28 -0.24 0.00 0.02 0.00 0.00 54.97 54.48 2f8b s GLU 28 Cb -0.14 -4.17 0.06 0.00 0.10 0.00 0.00 34.13 29.99 2f8b s GLU 28 CO -0.09 -2.04 0.57 0.45 0.02 0.00 0.00 175.26 174.18 2f8b s SER 29 N 3.63 -0.52 0.49 -0.19 0.15 0.75 -4.86 113.70 113.15 2f8b s SER 29 Ca 0.34 0.22 -0.22 0.00 0.70 0.00 0.00 55.95 56.98 2f8b s SER 29 Cb -0.09 0.54 -0.08 0.00 -1.71 0.00 0.00 66.02 64.67 2f8b s SER 29 CO 0.15 -0.78 1.07 -1.20 1.20 0.00 0.00 173.24 173.68 2f8b n SER 30 N 0.24 1.45 -0.34 5.45 7.64 -1.26 -4.35 113.62 122.45 2f8b n SER 30 Ca -0.18 0.97 0.10 0.00 1.01 0.00 0.00 58.87 60.77 2f8b n SER 30 Cb 0.61 -1.41 0.29 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 1.29 1.64 0.00 -0.43 0.00 -1.91 -0.62 119.26 119.23 2f8b h ALA 31 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2f8b h ALA 31 Cb 1.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2f8b h ALA 31 CO 0.55 0.08 -0.97 -1.91 0.00 0.00 0.00 179.25 177.00 2f8b n GLU 32 N -4.64 0.33 -0.10 0.00 2.13 -1.26 -0.88 120.64 116.22 2f8b n GLU 32 Ca 0.20 0.02 -0.10 0.00 0.66 0.00 0.00 57.16 57.94 2f8b n GLU 32 Cb 0.45 -1.63 -0.03 0.00 0.27 0.00 0.00 31.44 30.50 2f8b n GLU 32 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2f8b h ASP 33 N 0.00 0.43 -0.52 4.31 1.82 -1.72 0.10 116.42 120.85 2f8b h ASP 33 Ca 0.00 -0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.44 2f8b h ASP 33 Cb 0.77 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.64 2f8b h ASP 33 CO 0.00 0.49 0.27 0.25 -1.61 0.00 0.00 179.24 178.64 2f8b h LEU 34 N 0.34 0.69 -0.14 2.28 6.46 -0.89 -1.21 115.31 122.84 2f8b h LEU 34 Ca 0.10 -0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 2f8b h LEU 34 Cb 0.20 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 2f8b h LEU 34 CO -0.01 0.59 -0.36 -0.09 -0.62 0.00 0.00 178.44 177.95 2f8b h ARG 35 N 0.77 0.48 -0.42 1.25 2.43 -0.91 0.33 114.38 118.31 2f8b h ARG 35 Ca 0.19 -0.34 0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2f8b h ARG 35 Cb 0.08 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2f8b h ARG 35 CO -0.03 0.95 0.15 1.15 -1.51 0.00 0.00 179.97 180.69 2f8b h THR 36 N 0.09 0.87 -0.85 0.20 2.02 -0.45 0.25 112.91 115.06 2f8b h THR 36 Ca -0.01 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.12 2f8b h THR 36 Cb 0.97 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 2f8b h THR 36 CO 0.08 0.06 0.55 0.25 0.37 0.00 0.00 175.52 176.83 2f8b h LEU 37 N 0.32 0.84 -1.32 2.58 5.85 -1.08 -0.76 115.31 121.74 2f8b h LEU 37 Ca 0.20 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 2f8b h LEU 37 Cb 0.18 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2f8b h LEU 37 CO -0.20 0.55 0.07 -0.61 -0.34 0.00 0.00 178.44 177.91 2f8b h GLN 38 N 0.96 0.53 -0.09 1.25 4.15 0.11 -0.08 115.11 121.94 2f8b h GLN 38 Ca 0.36 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.57 2f8b h GLN 38 Cb 0.18 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 2f8b h GLN 38 CO -0.13 0.50 -0.46 1.96 -1.93 0.00 0.00 178.83 178.78 2f8b h GLN 39 N 0.52 0.22 -0.08 1.69 1.08 0.37 -1.07 115.11 117.83 2f8b h GLN 39 Ca 0.12 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2f8b h GLN 39 Cb 0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2f8b h GLN 39 CO -0.00 0.64 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.25 2f8b h LEU 40 N 0.18 0.13 -0.04 1.46 3.38 0.01 0.20 115.31 120.62 2f8b h LEU 40 Ca 0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2f8b h LEU 40 Cb 0.89 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2f8b h LEU 40 CO 0.07 0.34 0.01 -0.26 0.09 0.00 0.00 178.44 178.69 2f8b h PHE 41 N 0.13 0.07 0.00 1.13 -1.00 -0.51 0.82 116.94 117.58 2f8b h PHE 41 Ca 0.02 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 2f8b h PHE 41 Cb 0.43 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 2f8b h PHE 41 CO 0.00 0.28 -0.08 -0.07 -1.61 0.00 0.00 178.31 176.84 2f8b h LEU 42 N -0.16 0.00 0.00 1.54 3.38 -0.75 -3.08 115.31 116.24 2f8b h LEU 42 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2f8b h LEU 42 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2f8b h LEU 42 CO 0.00 0.08 0.00 -0.24 0.09 0.00 0.00 178.44 178.37 2f8b n SER 43 N -3.89 0.00 0.00 -0.43 2.88 0.66 -4.94 113.62 107.90 2f8b n SER 43 Ca -0.02 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2f8b n SER 43 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.41 0.00 -2.33 2.46 -2.24 -0.52 -5.08 114.28 106.16 2f8b n THR 44 Ca 0.00 -0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2f8b n THR 44 Cb 0.00 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.19 4.19 0.20 3.22 0.20 0.17 -4.95 118.68 121.52 2f8b s LEU 45 Ca 0.00 2.30 -0.14 0.00 0.69 0.00 0.00 54.13 56.98 2f8b s LEU 45 Cb 0.00 -4.05 0.01 0.00 -0.43 0.00 0.00 46.19 41.72 2f8b s LEU 45 CO 0.00 -0.65 0.46 -0.44 -0.29 0.00 0.00 176.35 175.43 2f8b s SER 46 N -1.20 -0.14 0.27 3.68 0.01 -1.26 -4.46 113.70 110.60 2f8b s SER 46 Ca 0.57 -0.71 0.08 0.00 1.31 0.00 0.00 55.95 57.21 2f8b s SER 46 Cb -0.29 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 2f8b s SER 46 CO 0.37 -1.05 0.09 0.12 0.41 0.00 0.00 173.24 173.18 2f8b s PHE 47 N -3.94 2.87 -0.35 2.43 2.19 -1.26 -4.83 117.98 115.09 2f8b s PHE 47 Ca 0.15 -0.19 -0.00 0.00 0.33 0.00 0.00 56.93 57.22 2f8b s PHE 47 Cb 0.00 -1.32 0.14 0.00 -1.31 0.00 0.00 43.02 40.53 2f8b s PHE 47 CO 0.01 0.56 0.21 0.08 1.83 0.00 0.00 175.22 177.91 2f8b s VAL 48 N -2.25 0.25 0.60 3.12 1.01 -1.26 -0.56 120.40 121.31 2f8b s VAL 48 Ca 0.33 -1.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 2f8b s VAL 48 Cb -0.07 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 2f8b s VAL 48 CO 0.22 -0.96 0.85 0.00 0.00 0.00 0.00 175.10 175.21 2f8b h PRO 50 N 0.38 0.04 0.51 0.00 0.13 -2.00 0.23 132.00 131.29 2f8b h PRO 50 Ca -0.48 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2f8b h PRO 50 Cb 1.37 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 2f8b h PRO 50 CO 0.50 0.03 -0.45 2.35 -0.23 0.00 0.00 178.00 180.20 2f8b h TRP 51 N 0.04 -1.23 -0.01 1.56 7.01 -1.99 -0.99 115.95 120.33 2f8b h TRP 51 Ca 0.21 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.13 2f8b h TRP 51 Cb 0.76 0.47 -0.01 0.00 -2.10 0.00 0.00 29.16 28.28 2f8b h TRP 51 CO -0.00 -0.61 -0.35 0.00 -2.79 0.00 0.00 178.44 174.69 2f8b h ALA 53 N 1.63 1.17 0.03 0.00 0.00 -0.63 0.20 119.26 121.66 2f8b h ALA 53 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2f8b h ALA 53 Cb 0.63 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2f8b h ALA 53 CO 0.05 0.54 -0.57 1.15 0.00 0.00 0.00 179.25 180.42 2f8b h THR 54 N 0.72 1.48 0.09 0.00 2.02 -0.45 -3.38 112.91 113.38 2f8b h THR 54 Ca 0.15 -2.16 -0.14 0.00 0.77 0.00 0.00 66.41 65.03 2f8b h THR 54 Cb 0.39 2.78 0.02 0.00 -1.74 0.00 0.00 68.15 69.60 2f8b h THR 54 CO 0.01 0.62 -0.59 0.78 0.37 0.00 0.00 175.52 176.71 2f8b h ASN 55 N -0.25 0.36 0.00 4.18 -0.26 -0.83 -3.51 115.58 115.27 2f8b h ASN 55 Ca -0.08 -0.94 0.00 0.00 -0.56 0.00 0.00 56.30 54.72 2f8b h ASN 55 Cb 1.32 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 2f8b h ASN 55 CO 0.11 1.27 0.00 1.67 -1.06 0.00 0.00 177.43 179.42