#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 4.60 0.23 1.61 0.15 -1.26 -5.08 113.70 113.95 2f8b s SER 2 Ca 0.00 1.90 -0.20 0.00 0.70 0.00 0.00 55.95 58.36 2f8b s SER 2 Cb 0.00 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.80 2f8b s SER 2 CO 0.00 -1.97 0.62 -2.28 1.20 0.00 0.00 173.24 170.81 2f8b s HIS 3 N -2.71 -0.18 0.52 3.44 5.04 -1.26 -5.17 115.29 114.98 2f8b s HIS 3 Ca 0.63 -0.20 -0.17 0.00 -1.54 0.00 0.00 55.06 53.79 2f8b s HIS 3 Cb -0.19 0.55 -0.08 0.00 0.04 0.00 0.00 32.58 32.90 2f8b s HIS 3 CO 0.52 -1.06 0.99 1.41 -2.34 0.00 0.00 174.74 174.25 2f8b s MET 4 N -3.89 3.91 0.06 2.88 -2.45 -1.26 -5.10 119.30 113.46 2f8b s MET 4 Ca 0.10 0.99 -0.02 0.00 -1.25 0.00 0.00 55.69 55.51 2f8b s MET 4 Cb -0.03 -2.13 -0.04 0.00 1.25 0.00 0.00 34.83 33.88 2f8b s MET 4 CO 0.01 -0.30 -0.00 0.00 1.05 0.00 0.00 175.02 175.78 2f8b s ALA 5 N -2.58 0.49 0.03 4.11 0.00 -1.26 -5.19 121.76 117.37 2f8b s ALA 5 Ca 0.60 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 2f8b s ALA 5 Cb -0.10 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 2f8b s ALA 5 CO 0.31 -0.39 0.00 -1.21 0.00 0.00 0.00 175.76 174.46 2f8b s GLU 6 N -3.93 0.48 -1.29 0.00 2.02 -1.26 -5.06 118.70 109.66 2f8b s GLU 6 Ca 0.09 -0.84 -0.12 0.00 0.02 0.00 0.00 54.97 54.11 2f8b s GLU 6 Cb 0.08 0.17 -0.06 0.00 0.10 0.00 0.00 34.13 34.42 2f8b s GLU 6 CO -0.09 -0.09 2.41 -0.35 0.02 0.00 0.00 175.26 177.16 2f8b n PRO 7 N 0.91 2.76 0.00 0.39 -0.04 -1.26 -4.04 135.00 133.71 2f8b n PRO 7 Ca -0.19 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 2f8b n PRO 7 Cb 0.58 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2f8b n PRO 7 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2f8b n GLN 8 N 4.96 0.00 -1.55 0.54 -0.06 -1.26 -4.18 117.38 115.83 2f8b n GLN 8 Ca 0.59 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 55.43 2f8b n GLN 8 Cb 0.28 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.37 2f8b n GLN 8 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2f8b n ARG 9 N -2.28 0.49 -4.48 3.69 0.00 -1.26 0.11 116.66 112.93 2f8b n ARG 9 Ca 0.00 -0.66 -0.24 0.00 -0.00 0.00 0.00 57.85 56.96 2f8b n ARG 9 Cb 0.00 -3.23 -0.10 0.00 0.00 0.00 0.00 32.46 29.13 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 12.29 2.23 -0.34 -0.14 3.76 -0.58 -4.97 115.29 127.53 2f8b s HIS 10 Ca 1.00 -0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 55.42 2f8b s HIS 10 Cb -0.26 -1.15 0.12 0.00 1.11 0.00 0.00 32.58 32.40 2f8b s HIS 10 CO 0.18 0.56 0.18 0.15 -0.85 0.00 0.00 174.74 174.95 2f8b s LYS 11 N -3.60 0.62 -0.83 1.40 1.02 -1.26 -0.70 119.74 116.40 2f8b s LYS 11 Ca 0.30 -1.21 -0.23 0.00 0.02 0.00 0.00 55.97 54.85 2f8b s LYS 11 Cb -0.00 -1.57 0.06 0.00 -0.52 0.00 0.00 37.83 35.80 2f8b s LYS 11 CO 0.14 -1.12 1.22 0.42 -0.92 0.00 0.00 175.35 175.10 2f8b s ILE 12 N 1.29 4.11 -0.67 2.17 1.01 -0.00 -4.88 121.20 124.22 2f8b s ILE 12 Ca 0.14 -0.46 -0.27 0.00 0.00 0.00 0.00 60.65 60.06 2f8b s ILE 12 Cb -0.21 -4.87 0.00 0.00 0.01 0.00 0.00 42.46 37.40 2f8b s ILE 12 CO -0.13 -1.72 1.58 -0.22 0.00 0.00 0.00 174.94 174.45 2f8b s LEU 13 N 4.56 3.23 0.00 2.97 0.20 -1.26 -0.78 118.68 127.59 2f8b s LEU 13 Ca 0.34 -0.05 0.00 0.00 0.69 0.00 0.00 54.13 55.11 2f8b s LEU 13 Cb -0.08 -2.54 0.00 0.00 -0.43 0.00 0.00 46.19 43.14 2f8b s LEU 13 CO 0.03 -2.12 0.00 0.00 -0.29 0.00 0.00 176.35 173.97 2f8b s VAL 15 N 0.09 1.56 -0.01 0.00 -7.23 -1.26 -0.52 120.40 113.03 2f8b s VAL 15 Ca 0.00 -1.87 -0.26 0.00 -1.81 0.00 0.00 61.98 58.03 2f8b s VAL 15 Cb 0.00 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2f8b s VAL 15 CO 0.00 -0.42 0.82 0.00 -0.31 0.00 0.00 175.10 175.20 2f8b n LYS 18 N -3.94 0.62 0.00 0.00 -0.00 -1.26 -4.47 118.16 109.11 2f8b n LYS 18 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2f8b n LYS 18 Cb 0.52 -1.72 0.00 0.00 -0.00 0.00 0.00 35.03 33.83 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 -0.04 -3.27 -4.81 0.00 2.03 0.57 -4.95 116.55 106.08 2f8b n ASP 20 Ca 0.00 0.25 -0.35 0.00 0.52 0.00 0.00 54.79 55.21 2f8b n ASP 20 Cb 0.12 -2.92 -0.06 0.00 -0.72 0.00 0.00 41.12 37.53 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 -1.98 2.57 0.25 0.27 0.00 -1.25 -4.69 107.32 102.48 2f8b s GLY 21 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 2f8b s GLY 21 CO 0.00 0.62 1.44 -1.60 0.00 0.00 0.00 173.10 173.56 2f8b s ARG 22 N -2.42 4.27 -0.11 2.90 3.00 -1.26 -0.10 118.95 125.22 2f8b s ARG 22 Ca 0.51 2.30 0.01 0.00 -1.00 0.00 0.00 55.73 57.54 2f8b s ARG 22 Cb -0.14 -3.11 0.02 0.00 0.00 0.00 0.00 34.95 31.71 2f8b s ARG 22 CO 0.20 -0.41 -0.13 0.42 0.00 0.00 0.00 175.30 175.37 2f8b s ILE 23 N -0.03 1.36 -0.53 4.11 1.01 0.32 -4.85 121.20 122.59 2f8b s ILE 23 Ca 0.59 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 60.43 2f8b s ILE 23 Cb -0.42 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 40.78 2f8b s ILE 23 CO 0.43 0.42 1.57 -0.70 0.00 0.00 0.00 174.94 176.66 2f8b s GLU 24 N 1.23 3.17 -1.01 2.79 2.12 -1.26 -0.19 118.70 125.55 2f8b s GLU 24 Ca -0.02 0.67 -0.17 0.00 0.36 0.00 0.00 54.97 55.80 2f8b s GLU 24 Cb -0.14 -4.19 0.14 0.00 0.26 0.00 0.00 34.13 30.20 2f8b s GLU 24 CO -0.05 -2.08 1.23 -0.51 -0.54 0.00 0.00 175.26 173.31 2f8b s LEU 25 N 6.81 5.01 -0.53 2.70 1.43 0.04 -4.97 118.68 129.16 2f8b s LEU 25 Ca 0.60 -2.30 -0.27 0.00 -1.03 0.00 0.00 54.13 51.13 2f8b s LEU 25 Cb -0.13 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 2f8b s LEU 25 CO 0.26 -0.99 1.73 -0.89 0.23 0.00 0.00 176.35 176.69 2f8b s THR 26 N 2.44 3.50 -0.18 5.49 2.01 -1.26 -0.82 115.64 126.82 2f8b s THR 26 Ca 0.36 0.39 -0.02 0.00 0.31 0.00 0.00 61.69 62.73 2f8b s THR 26 Cb -0.04 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 2f8b s THR 26 CO -0.07 -0.86 -0.08 0.68 -0.69 0.00 0.00 174.62 173.60 2f8b s VAL 27 N 7.77 3.26 -1.07 3.82 -7.23 0.13 -4.93 120.40 122.15 2f8b s VAL 27 Ca 0.66 -0.56 -0.15 0.00 -1.81 0.00 0.00 61.98 60.13 2f8b s VAL 27 Cb -0.14 -2.43 0.18 0.00 0.56 0.00 0.00 36.38 34.54 2f8b s VAL 27 CO 0.25 0.47 1.23 -0.70 -0.31 0.00 0.00 175.10 176.04 2f8b s GLU 28 N 0.92 3.89 -0.12 4.82 2.12 -1.26 -1.53 118.70 127.54 2f8b s GLU 28 Ca -0.01 -2.37 -0.06 0.00 0.36 0.00 0.00 54.97 52.88 2f8b s GLU 28 Cb -0.15 -4.89 0.05 0.00 0.26 0.00 0.00 34.13 29.40 2f8b s GLU 28 CO 0.00 -1.66 0.29 -1.12 -0.54 0.00 0.00 175.26 172.24 2f8b s SER 29 N 2.85 -0.33 0.50 -1.70 0.01 0.12 -4.80 113.70 110.34 2f8b s SER 29 Ca 0.35 0.63 -0.23 0.00 1.31 0.00 0.00 55.95 58.01 2f8b s SER 29 Cb -0.05 0.51 -0.07 0.00 0.21 0.00 0.00 66.02 66.63 2f8b s SER 29 CO -0.05 -0.17 1.31 -1.20 0.41 0.00 0.00 173.24 173.54 2f8b n SER 30 N 4.25 2.59 -0.33 2.44 7.64 -1.26 -4.44 113.62 124.50 2f8b n SER 30 Ca -0.25 1.02 0.16 0.00 1.01 0.00 0.00 58.87 60.82 2f8b n SER 30 Cb 0.54 -1.54 0.39 0.00 -1.01 0.00 0.00 64.21 62.59 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 1.68 1.87 0.00 -0.43 0.00 -1.92 0.39 119.26 120.85 2f8b h ALA 31 Ca -0.50 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2f8b h ALA 31 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2f8b h ALA 31 CO 0.58 -0.25 -1.23 -1.91 0.00 0.00 0.00 179.25 176.44 2f8b n GLU 32 N -4.72 0.32 -0.08 0.00 2.13 -1.26 -1.26 120.64 115.77 2f8b n GLU 32 Ca 0.24 -0.04 -0.15 0.00 0.66 0.00 0.00 57.16 57.87 2f8b n GLU 32 Cb 0.67 -1.57 -0.04 0.00 0.27 0.00 0.00 31.44 30.77 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 0.97 -0.35 4.31 1.82 -1.36 0.42 116.42 122.24 2f8b h ASP 33 Ca 0.00 -0.53 0.02 0.00 -0.39 0.00 0.00 57.03 56.12 2f8b h ASP 33 Cb 0.75 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 2f8b h ASP 33 CO 0.00 1.32 0.20 0.25 -1.61 0.00 0.00 179.24 179.40 2f8b h LEU 34 N 0.65 0.31 -0.03 2.28 6.46 -0.31 0.16 115.31 124.84 2f8b h LEU 34 Ca 0.01 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2f8b h LEU 34 Cb 1.15 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.99 2f8b h LEU 34 CO 0.12 0.23 -0.14 -0.09 -0.62 0.00 0.00 178.44 177.94 2f8b h ARG 35 N 0.40 -0.21 0.04 1.25 2.43 -1.13 0.29 114.38 117.45 2f8b h ARG 35 Ca 0.14 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2f8b h ARG 35 Cb 0.02 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 2f8b h ARG 35 CO -0.07 -0.14 -0.24 1.15 -1.51 0.00 0.00 179.97 179.15 2f8b h THR 36 N -0.22 0.45 0.00 0.20 2.02 -0.40 0.15 112.91 115.11 2f8b h THR 36 Ca 0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 2f8b h THR 36 Cb 0.29 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2f8b h THR 36 CO -0.15 0.00 -0.19 0.17 0.37 0.00 0.00 175.52 175.72 2f8b h LEU 37 N -0.40 0.00 -0.88 2.58 8.10 -0.43 0.46 115.31 124.73 2f8b h LEU 37 Ca 0.05 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.98 2f8b h LEU 37 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.67 2f8b h LEU 37 CO -0.19 0.19 -0.30 -0.61 -4.11 0.00 0.00 178.44 173.41 2f8b h GLN 38 N 0.00 0.00 -0.26 0.17 4.15 0.45 -0.63 115.11 118.99 2f8b h GLN 38 Ca -0.00 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 2f8b h GLN 38 Cb 0.37 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2f8b h GLN 38 CO 0.02 0.30 -0.41 1.96 -1.93 0.00 0.00 178.83 178.78 2f8b h GLN 39 N 0.00 0.62 -0.43 1.69 1.08 0.14 -0.34 115.11 117.87 2f8b h GLN 39 Ca -0.00 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 56.85 2f8b h GLN 39 Cb 0.89 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 2f8b h GLN 39 CO 0.04 0.92 0.16 -0.07 -0.95 0.00 0.00 178.83 178.93 2f8b h LEU 40 N 0.51 0.56 0.46 1.46 3.38 -0.47 0.26 115.31 121.47 2f8b h LEU 40 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2f8b h LEU 40 Cb 0.92 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2f8b h LEU 40 CO 0.08 0.52 -0.22 -0.26 0.09 0.00 0.00 178.44 178.65 2f8b h PHE 41 N 0.62 -0.57 0.00 1.13 0.04 -0.86 0.78 116.94 118.07 2f8b h PHE 41 Ca 0.15 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 2f8b h PHE 41 Cb 0.15 0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 2f8b h PHE 41 CO 0.01 -0.35 -0.04 -0.07 -0.60 0.00 0.00 178.31 177.26 2f8b h LEU 42 N -0.64 0.00 0.10 1.54 3.38 -0.57 -2.80 115.31 116.32 2f8b h LEU 42 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2f8b h LEU 42 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2f8b h LEU 42 CO 0.10 0.04 -0.05 -1.28 0.09 0.00 0.00 178.44 177.35 2f8b h SER 43 N 0.00 -0.11 0.00 -0.43 0.87 -0.37 -3.48 113.55 110.04 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 0.09 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2f8b h SER 43 CO 0.01 -0.04 0.00 0.35 -0.53 0.00 0.00 176.83 176.61 2f8b n THR 44 N -2.55 0.00 -2.22 2.23 -2.24 -0.36 -5.09 114.28 104.06 2f8b n THR 44 Ca -0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 2f8b n THR 44 Cb 0.05 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.81 4.44 0.42 3.22 0.20 0.12 -4.94 118.68 120.34 2f8b s LEU 45 Ca 0.00 2.49 0.06 0.00 0.69 0.00 0.00 54.13 57.38 2f8b s LEU 45 Cb 0.00 -3.63 -0.07 0.00 -0.43 0.00 0.00 46.19 42.07 2f8b s LEU 45 CO 0.00 -0.47 0.04 -0.94 -0.29 0.00 0.00 176.35 174.69 2f8b s SER 46 N -0.16 4.00 0.16 3.68 1.04 -1.26 -4.36 113.70 116.80 2f8b s SER 46 Ca 0.52 -1.35 0.08 0.00 0.48 0.00 0.00 55.95 55.68 2f8b s SER 46 Cb -0.37 -0.30 -0.04 0.00 0.10 0.00 0.00 66.02 65.41 2f8b s SER 46 CO 0.44 -0.52 -0.08 0.12 0.98 0.00 0.00 173.24 174.18 2f8b s PHE 47 N -2.71 2.70 -0.22 5.02 2.19 -1.26 -5.03 117.98 118.66 2f8b s PHE 47 Ca 0.33 -0.19 -0.03 0.00 0.33 0.00 0.00 56.93 57.37 2f8b s PHE 47 Cb 0.08 -1.34 0.07 0.00 -1.31 0.00 0.00 43.02 40.52 2f8b s PHE 47 CO 0.17 0.49 0.06 0.54 1.83 0.00 0.00 175.22 178.31 2f8b s VAL 48 N -1.58 0.44 0.44 3.12 0.11 -1.26 -2.79 120.40 118.89 2f8b s VAL 48 Ca 0.24 -0.67 -0.25 0.00 -2.93 0.00 0.00 61.98 58.38 2f8b s VAL 48 Cb -0.09 -1.07 -0.09 0.00 -1.53 0.00 0.00 36.38 33.59 2f8b s VAL 48 CO 0.15 -0.35 1.22 0.00 -3.33 0.00 0.00 175.10 172.79 2f8b h PRO 50 N 1.85 0.00 0.43 0.00 0.13 -2.00 0.94 132.00 133.35 2f8b h PRO 50 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2f8b h PRO 50 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2f8b h PRO 50 CO 0.59 0.07 -0.31 2.35 -0.23 0.00 0.00 178.00 180.47 2f8b h TRP 51 N 0.00 -0.83 -0.09 1.56 7.01 -1.99 -1.10 115.95 120.52 2f8b h TRP 51 Ca -0.00 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.93 2f8b h TRP 51 Cb 0.15 0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 2f8b h TRP 51 CO 0.00 -0.44 -0.24 0.00 -2.79 0.00 0.00 178.44 174.97 2f8b h ALA 53 N 1.63 0.93 -0.22 0.00 0.00 -0.84 0.21 119.26 120.97 2f8b h ALA 53 Ca 0.02 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 2f8b h ALA 53 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2f8b h ALA 53 CO 0.03 0.62 -0.54 1.15 0.00 0.00 0.00 179.25 180.51 2f8b h THR 54 N 0.69 1.30 -0.45 0.00 2.02 -0.57 -3.27 112.91 112.62 2f8b h THR 54 Ca 0.11 -1.75 -0.09 0.00 0.77 0.00 0.00 66.41 65.45 2f8b h THR 54 Cb 0.66 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2f8b h THR 54 CO 0.05 0.55 -0.07 0.78 0.37 0.00 0.00 175.52 177.21 2f8b h ASN 55 N 0.47 0.85 0.00 4.18 -0.26 -0.95 -3.51 115.58 116.36 2f8b h ASN 55 Ca -0.01 -0.34 0.00 0.00 -0.56 0.00 0.00 56.30 55.39 2f8b h ASN 55 Cb 1.15 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 38.18 2f8b h ASN 55 CO 0.12 0.99 0.00 1.67 -1.06 0.00 0.00 177.43 179.15