#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 -4.73 -3.86 1.61 7.64 -1.26 -4.99 113.62 108.03 2f8b n SER 2 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2f8b n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2f8b n SER 2 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2f8b s HIS 3 N 0.00 0.19 -0.97 1.43 5.65 -1.26 -4.96 115.29 115.38 2f8b s HIS 3 Ca 0.00 -0.56 -0.21 0.00 0.25 0.00 0.00 55.06 54.54 2f8b s HIS 3 Cb 0.00 0.05 0.03 0.00 -1.18 0.00 0.00 32.58 31.48 2f8b s HIS 3 CO 0.00 -0.71 0.39 -0.12 -0.65 0.00 0.00 174.74 173.65 2f8b n MET 4 N -0.20 -0.53 -3.63 2.88 0.00 -1.26 -4.94 117.12 109.44 2f8b n MET 4 Ca -0.10 -0.06 -0.29 0.00 -0.00 0.00 0.00 57.70 57.24 2f8b n MET 4 Cb 0.63 -1.82 -0.13 0.00 0.00 0.00 0.00 33.22 31.89 2f8b n MET 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2f8b s ALA 5 N -3.93 1.47 0.21 -5.12 0.00 -1.26 -5.13 121.76 108.00 2f8b s ALA 5 Ca 0.29 -1.97 0.10 0.00 0.00 0.00 0.00 51.96 50.38 2f8b s ALA 5 Cb -0.16 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2f8b s ALA 5 CO 0.74 -1.92 -0.12 -1.21 0.00 0.00 0.00 175.76 173.24 2f8b s GLU 6 N 1.09 1.94 0.93 0.00 2.02 -1.26 -5.13 118.70 118.29 2f8b s GLU 6 Ca 0.15 -1.41 -0.12 0.00 0.02 0.00 0.00 54.97 53.61 2f8b s GLU 6 Cb -0.21 -2.05 0.15 0.00 0.10 0.00 0.00 34.13 32.12 2f8b s GLU 6 CO -0.10 0.40 1.10 -1.25 0.02 0.00 0.00 175.26 175.43 2f8b s PRO 7 N -3.01 0.96 0.00 0.39 0.04 -1.26 -4.47 135.00 127.65 2f8b s PRO 7 Ca 0.26 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2f8b s PRO 7 Cb -0.08 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2f8b s PRO 7 CO 0.15 -2.40 0.00 1.04 0.04 0.00 0.00 177.00 175.83 2f8b n GLN 8 N -3.96 0.00 -1.42 4.56 3.00 -1.24 -4.80 117.38 113.51 2f8b n GLN 8 Ca 0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.94 2f8b n GLN 8 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.71 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 0.00 0.16 -4.45 -1.09 0.00 -1.26 -0.39 116.66 109.62 2f8b n ARG 9 Ca 0.00 -0.85 -0.23 0.00 -0.00 0.00 0.00 57.85 56.77 2f8b n ARG 9 Cb 0.00 -2.75 -0.10 0.00 0.00 0.00 0.00 32.46 29.61 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 10.13 2.17 -0.33 -0.14 3.76 -0.52 -4.68 115.29 125.68 2f8b s HIS 10 Ca 0.71 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 55.18 2f8b s HIS 10 Cb -0.17 -1.02 0.12 0.00 1.11 0.00 0.00 32.58 32.63 2f8b s HIS 10 CO 0.17 0.60 0.18 0.15 -0.85 0.00 0.00 174.74 174.99 2f8b s LYS 11 N -3.56 0.46 -0.65 1.40 3.01 -1.26 -1.14 119.74 118.00 2f8b s LYS 11 Ca 0.29 -1.05 -0.25 0.00 -1.01 0.00 0.00 55.97 53.95 2f8b s LYS 11 Cb -0.03 -1.33 0.04 0.00 -1.01 0.00 0.00 37.83 35.50 2f8b s LYS 11 CO 0.13 -1.12 1.10 0.42 0.51 0.00 0.00 175.35 176.39 2f8b s ILE 12 N 1.46 4.10 -0.34 2.17 1.01 -0.10 -4.78 121.20 124.72 2f8b s ILE 12 Ca 0.14 0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.74 2f8b s ILE 12 Cb -0.20 -4.73 -0.02 0.00 0.01 0.00 0.00 42.46 37.51 2f8b s ILE 12 CO -0.15 -1.49 1.88 -0.22 0.00 0.00 0.00 174.94 174.97 2f8b s LEU 13 N 4.72 3.48 0.00 2.97 0.20 -1.26 -0.06 118.68 128.73 2f8b s LEU 13 Ca 0.31 1.32 0.01 0.00 0.69 0.00 0.00 54.13 56.46 2f8b s LEU 13 Cb -0.12 -3.41 0.01 0.00 -0.43 0.00 0.00 46.19 42.24 2f8b s LEU 13 CO 0.16 -1.83 0.06 0.00 -0.29 0.00 0.00 176.35 174.46 2f8b s VAL 15 N -1.99 3.91 0.30 0.00 -7.23 -1.26 -0.61 120.40 113.51 2f8b s VAL 15 Ca 0.05 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 2f8b s VAL 15 Cb -0.00 -3.09 -0.10 0.00 0.56 0.00 0.00 36.38 33.74 2f8b s VAL 15 CO 0.03 -0.34 1.33 0.00 -0.31 0.00 0.00 175.10 175.81 2f8b n LYS 18 N -5.15 1.15 0.18 0.00 2.85 -1.26 -4.22 118.16 111.70 2f8b n LYS 18 Ca 0.14 -0.01 0.12 0.00 -1.05 0.00 0.00 58.31 57.52 2f8b n LYS 18 Cb 0.46 -0.94 0.19 0.00 -0.65 0.00 0.00 35.03 34.09 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 -2.85 -0.44 -4.10 0.00 2.03 -0.82 -4.96 116.55 105.41 2f8b n ASP 20 Ca 0.04 -1.26 -0.14 0.00 0.52 0.00 0.00 54.79 53.95 2f8b n ASP 20 Cb 0.51 -1.76 -0.11 0.00 -0.72 0.00 0.00 41.12 39.03 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 -4.17 0.63 0.01 0.27 0.00 -1.25 -4.88 107.32 97.93 2f8b s GLY 21 Ca 0.12 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 2f8b s GLY 21 CO 0.98 -0.96 1.99 -2.13 0.00 0.00 0.00 173.10 172.98 2f8b n ARG 22 N 1.21 2.78 -4.04 2.90 0.00 -1.26 -0.03 116.66 118.21 2f8b n ARG 22 Ca -0.21 1.01 -0.31 0.00 -0.00 0.00 0.00 57.85 58.34 2f8b n ARG 22 Cb 0.55 -3.00 -0.16 0.00 0.00 0.00 0.00 32.46 29.85 2f8b n ARG 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2f8b s ILE 23 N 4.66 1.70 -1.04 5.15 1.01 0.22 -4.84 121.20 128.06 2f8b s ILE 23 Ca 0.90 -0.74 -0.23 0.00 0.00 0.00 0.00 60.65 60.59 2f8b s ILE 23 Cb -0.45 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.46 2f8b s ILE 23 CO 0.42 0.46 1.60 -0.70 0.00 0.00 0.00 174.94 176.73 2f8b s GLU 24 N 1.43 3.39 -0.67 2.79 2.12 -1.26 -0.23 118.70 126.27 2f8b s GLU 24 Ca 0.05 -1.06 -0.26 0.00 0.36 0.00 0.00 54.97 54.06 2f8b s GLU 24 Cb -0.13 -5.32 -0.04 0.00 0.26 0.00 0.00 34.13 28.90 2f8b s GLU 24 CO -0.11 -2.52 2.01 -0.51 -0.54 0.00 0.00 175.26 173.59 2f8b s LEU 25 N 6.14 3.25 -0.85 2.70 1.43 0.92 -4.79 118.68 127.48 2f8b s LEU 25 Ca 0.53 0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 53.62 2f8b s LEU 25 Cb -0.01 -2.53 0.08 0.00 0.03 0.00 0.00 46.19 43.76 2f8b s LEU 25 CO -0.05 -2.64 1.18 -0.89 0.23 0.00 0.00 176.35 174.18 2f8b s THR 26 N 10.20 4.28 -0.02 5.49 2.01 -1.26 -0.92 115.64 135.42 2f8b s THR 26 Ca 0.74 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 62.03 2f8b s THR 26 Cb -0.12 -4.84 -0.03 0.00 0.01 0.00 0.00 72.50 67.52 2f8b s THR 26 CO 0.16 -1.65 -0.15 0.68 -0.69 0.00 0.00 174.62 172.97 2f8b s VAL 27 N 4.06 2.97 -0.71 3.82 -7.23 -0.29 -4.94 120.40 118.07 2f8b s VAL 27 Ca 0.33 -0.88 -0.05 0.00 -1.81 0.00 0.00 61.98 59.58 2f8b s VAL 27 Cb -0.07 -2.19 0.18 0.00 0.56 0.00 0.00 36.38 34.86 2f8b s VAL 27 CO -0.01 0.51 0.56 -0.70 -0.31 0.00 0.00 175.10 175.15 2f8b s GLU 28 N -0.97 2.88 0.03 4.82 2.12 -1.26 -1.44 118.70 124.88 2f8b s GLU 28 Ca 0.13 -2.65 -0.09 0.00 0.36 0.00 0.00 54.97 52.72 2f8b s GLU 28 Cb -0.11 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.39 2f8b s GLU 28 CO 0.02 -1.21 0.19 -1.12 -0.54 0.00 0.00 175.26 172.60 2f8b s SER 29 N 0.82 0.03 0.78 -1.70 0.01 0.47 -4.84 113.70 109.27 2f8b s SER 29 Ca 0.19 -0.33 -0.11 0.00 1.31 0.00 0.00 55.95 57.01 2f8b s SER 29 Cb -0.16 0.27 0.06 0.00 0.21 0.00 0.00 66.02 66.40 2f8b s SER 29 CO -0.06 -0.52 1.11 -0.44 0.41 0.00 0.00 173.24 173.74 2f8b s SER 30 N -1.94 4.32 0.12 2.44 0.01 -1.26 -3.70 113.70 113.69 2f8b s SER 30 Ca -0.07 1.91 -0.20 0.00 1.31 0.00 0.00 55.95 58.91 2f8b s SER 30 Cb -0.02 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 2f8b s SER 30 CO -0.03 -2.16 1.77 0.00 0.41 0.00 0.00 173.24 173.23 2f8b h ALA 31 N -1.09 0.26 0.00 1.44 0.00 -1.98 0.36 119.26 118.24 2f8b h ALA 31 Ca -0.44 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 2f8b h ALA 31 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2f8b h ALA 31 CO 0.50 -0.25 -0.42 1.49 0.00 0.00 0.00 179.25 180.57 2f8b h GLU 32 N 0.27 0.00 -0.29 0.00 4.81 -1.98 0.03 114.58 117.42 2f8b h GLU 32 Ca 0.08 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.14 2f8b h GLU 32 Cb -0.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2f8b h GLU 32 CO -0.02 0.42 -0.46 0.22 -0.73 0.00 0.00 179.01 178.45 2f8b h ASP 33 N 0.00 0.91 -0.64 1.04 1.82 -1.87 0.13 116.42 117.81 2f8b h ASP 33 Ca -0.00 -0.51 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 2f8b h ASP 33 Cb 1.26 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.98 2f8b h ASP 33 CO 0.05 1.25 0.41 0.25 -1.61 0.00 0.00 179.24 179.59 2f8b h LEU 34 N 0.60 0.75 0.26 2.28 6.46 -0.10 0.28 115.31 125.84 2f8b h LEU 34 Ca 0.03 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2f8b h LEU 34 Cb 1.06 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 2f8b h LEU 34 CO 0.11 0.57 -0.19 -0.09 -0.62 0.00 0.00 178.44 178.22 2f8b h ARG 35 N 0.87 -0.43 -0.10 1.25 2.43 -0.87 0.23 114.38 117.76 2f8b h ARG 35 Ca 0.23 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 2f8b h ARG 35 Cb -0.06 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 2f8b h ARG 35 CO -0.05 -0.29 -0.22 1.15 -1.51 0.00 0.00 179.97 179.05 2f8b h THR 36 N -0.45 0.46 -0.04 0.20 2.02 -0.23 0.22 112.91 115.09 2f8b h THR 36 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2f8b h THR 36 Cb 0.39 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2f8b h THR 36 CO -0.00 0.00 -0.23 0.17 0.37 0.00 0.00 175.52 175.83 2f8b h LEU 37 N -0.30 0.06 -1.07 2.58 8.10 -0.32 0.43 115.31 124.80 2f8b h LEU 37 Ca 0.09 -0.01 -0.08 0.00 0.11 0.00 0.00 57.88 57.98 2f8b h LEU 37 Cb 0.43 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 2f8b h LEU 37 CO -0.27 0.30 -0.38 -0.61 -4.11 0.00 0.00 178.44 173.36 2f8b h GLN 38 N 0.06 0.00 -0.31 0.17 4.15 0.44 -1.61 115.11 118.03 2f8b h GLN 38 Ca 0.01 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 2f8b h GLN 38 Cb 0.44 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2f8b h GLN 38 CO 0.03 0.38 -0.23 1.96 -1.93 0.00 0.00 178.83 179.04 2f8b h GLN 39 N 0.00 0.59 -0.31 1.69 1.08 0.15 0.16 115.11 118.47 2f8b h GLN 39 Ca -0.00 -0.22 0.03 0.00 -1.45 0.00 0.00 58.65 57.00 2f8b h GLN 39 Cb 0.83 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 2f8b h GLN 39 CO 0.05 0.78 0.14 -0.07 -0.95 0.00 0.00 178.83 178.77 2f8b h LEU 40 N 0.52 0.18 -0.51 1.46 3.38 -0.61 0.19 115.31 119.93 2f8b h LEU 40 Ca 0.08 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2f8b h LEU 40 Cb 0.68 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2f8b h LEU 40 CO 0.05 0.14 0.26 -0.26 0.09 0.00 0.00 178.44 178.72 2f8b h PHE 41 N 0.29 0.47 -0.38 1.13 -1.00 -0.93 -0.13 116.94 116.39 2f8b h PHE 41 Ca 0.13 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.97 2f8b h PHE 41 Cb 0.07 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 2f8b h PHE 41 CO -0.11 0.23 0.25 1.25 -1.61 0.00 0.00 178.31 178.32 2f8b h LEU 42 N 0.50 0.31 0.16 1.54 6.46 -0.27 -3.03 115.31 120.99 2f8b h LEU 42 Ca 0.22 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 2f8b h LEU 42 Cb 0.13 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 2f8b h LEU 42 CO -0.16 0.22 -0.08 -1.28 -0.62 0.00 0.00 178.44 176.52 2f8b h SER 43 N 0.36 -0.19 0.00 1.25 0.87 0.25 -3.47 113.55 112.63 2f8b h SER 43 Ca 0.16 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2f8b h SER 43 Cb 0.17 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2f8b h SER 43 CO -0.04 -0.01 0.00 0.35 -0.53 0.00 0.00 176.83 176.61 2f8b n THR 44 N -3.29 0.00 -2.04 2.23 -2.24 -0.18 -5.10 114.28 103.67 2f8b n THR 44 Ca -0.03 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 2f8b n THR 44 Cb 0.09 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.33 2f8b n THR 44 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2f8b s LEU 45 N -0.48 3.53 0.27 3.22 1.02 -0.51 -4.94 118.68 120.78 2f8b s LEU 45 Ca 0.00 1.90 0.03 0.00 0.02 0.00 0.00 54.13 56.08 2f8b s LEU 45 Cb 0.00 -4.54 -0.03 0.00 0.02 0.00 0.00 46.19 41.63 2f8b s LEU 45 CO 0.00 -1.25 0.22 -0.94 0.02 0.00 0.00 176.35 174.40 2f8b s SER 46 N -2.58 0.99 0.12 2.29 1.04 -1.26 -4.42 113.70 109.88 2f8b s SER 46 Ca 0.65 -1.59 0.06 0.00 0.48 0.00 0.00 55.95 55.56 2f8b s SER 46 Cb -0.18 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 2f8b s SER 46 CO 0.36 -0.97 -0.15 0.12 0.98 0.00 0.00 173.24 173.57 2f8b s PHE 47 N -3.75 1.46 -0.30 5.02 5.36 -1.26 -5.03 117.98 119.49 2f8b s PHE 47 Ca 0.40 -0.51 -0.03 0.00 -0.96 0.00 0.00 56.93 55.82 2f8b s PHE 47 Cb 0.04 -0.77 0.11 0.00 -0.34 0.00 0.00 43.02 42.06 2f8b s PHE 47 CO 0.21 0.16 0.18 0.08 -1.46 0.00 0.00 175.22 174.38 2f8b s VAL 48 N -1.88 -0.14 0.65 3.12 1.01 -1.26 -1.70 120.40 120.21 2f8b s VAL 48 Ca 0.08 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 2f8b s VAL 48 Cb -0.06 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2f8b s VAL 48 CO 0.03 -0.68 1.15 0.00 0.00 0.00 0.00 175.10 175.60 2f8b h PRO 50 N 0.33 0.00 0.47 0.00 0.13 -2.01 0.24 132.00 131.17 2f8b h PRO 50 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2f8b h PRO 50 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 2f8b h PRO 50 CO 0.51 0.00 -0.35 2.35 -0.23 0.00 0.00 178.00 180.28 2f8b h TRP 51 N 0.00 -0.95 0.00 1.56 7.01 -1.99 -1.01 115.95 120.56 2f8b h TRP 51 Ca 0.06 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 2f8b h TRP 51 Cb 0.29 0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 2f8b h TRP 51 CO 0.00 -0.50 -0.23 0.00 -2.79 0.00 0.00 178.44 174.92 2f8b h ALA 53 N 1.77 1.22 0.01 0.00 0.00 -0.43 0.12 119.26 121.94 2f8b h ALA 53 Ca -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2f8b h ALA 53 Cb 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2f8b h ALA 53 CO 0.03 0.51 -0.00 1.15 0.00 0.00 0.00 179.25 180.94 2f8b h THR 54 N 0.57 1.51 0.00 0.00 2.02 -0.86 -3.41 112.91 112.74 2f8b h THR 54 Ca 0.11 -2.07 -0.23 0.00 0.77 0.00 0.00 66.41 65.00 2f8b h THR 54 Cb 0.44 2.83 -0.04 0.00 -1.74 0.00 0.00 68.15 69.63 2f8b h THR 54 CO 0.02 0.50 -1.64 0.59 0.37 0.00 0.00 175.52 175.36 2f8b n ASN 55 N -4.66 0.75 0.00 4.18 3.02 -0.04 -5.10 115.26 113.41 2f8b n ASN 55 Ca -0.09 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2f8b n ASN 55 Cb 0.40 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 2f8b n ASN 55 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31