#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2odk n HIS 2 N 0.00 0.00 -4.34 1.57 -0.00 -1.26 -5.01 115.22 106.18 2odk n HIS 2 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 2odk n HIS 2 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.84 2odk n HIS 2 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2odk s VAL 3 N -1.71 2.87 -0.20 3.57 1.01 -1.26 -0.81 120.40 123.87 2odk s VAL 3 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2odk s VAL 3 Cb 0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2odk s VAL 3 CO 0.00 0.49 -0.08 0.26 0.00 0.00 0.00 175.10 175.78 2odk s TRP 4 N 0.97 2.91 0.64 5.22 0.52 0.60 -4.94 118.94 124.86 2odk s TRP 4 Ca -0.02 -0.96 -0.18 0.00 0.02 0.00 0.00 56.10 54.96 2odk s TRP 4 Cb -0.15 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.11 2odk s TRP 4 CO -0.02 -0.51 1.01 -2.30 0.02 0.00 0.00 176.95 175.16 2odk n PRO 5 N 4.52 0.82 -0.30 4.98 -0.02 -1.26 -0.74 135.00 142.99 2odk n PRO 5 Ca -0.19 0.33 0.08 0.00 -2.02 0.00 0.00 63.50 61.70 2odk n PRO 5 Cb 0.51 -2.24 0.23 0.00 -0.02 0.00 0.00 33.50 31.99 2odk n PRO 5 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2odk h VAL 6 N 0.28 0.73 0.00 -1.45 3.04 -1.33 0.11 116.25 117.63 2odk h VAL 6 Ca -0.49 -0.22 -0.06 0.00 -1.01 0.00 0.00 66.70 64.92 2odk h VAL 6 Cb 1.35 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 2odk h VAL 6 CO 0.50 0.12 -0.28 0.06 -1.01 0.00 0.00 177.57 176.96 2odk h GLN 7 N 0.65 0.00 0.22 4.17 -0.00 -1.89 -1.28 115.11 116.97 2odk h GLN 7 Ca 0.47 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.79 2odk h GLN 7 Cb 0.67 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.17 2odk h GLN 7 CO -0.36 0.28 -1.60 -0.44 -0.00 0.00 0.00 178.83 176.71 2odk h ASP 8 N 0.00 0.71 -0.54 0.06 3.32 -1.18 -1.50 116.42 117.29 2odk h ASP 8 Ca -0.00 -0.93 -0.00 0.00 0.02 0.00 0.00 57.03 56.12 2odk h ASP 8 Cb 0.63 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2odk h ASP 8 CO 0.04 1.74 0.34 0.00 -1.72 0.00 0.00 179.24 179.64 2odk h ALA 9 N 0.12 1.56 0.08 3.45 0.00 -1.05 -0.22 119.26 123.21 2odk h ALA 9 Ca -0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2odk h ALA 9 Cb 2.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2odk h ALA 9 CO 0.22 0.39 -0.04 -0.22 0.00 0.00 0.00 179.25 179.60 2odk h LYS 10 N 0.75 -0.10 -0.11 0.00 3.64 -1.26 -1.39 116.57 118.10 2odk h LYS 10 Ca 0.20 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2odk h LYS 10 Cb -0.04 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2odk h LYS 10 CO -0.04 0.37 -0.07 0.00 -2.27 0.00 0.00 179.45 177.44 2odk h ALA 11 N 0.20 1.68 -0.88 5.00 0.00 -1.06 -2.75 119.26 121.46 2odk h ALA 11 Ca -0.01 -0.13 -0.56 0.00 0.00 0.00 0.00 54.91 54.21 2odk h ALA 11 Cb 0.52 -0.06 -0.42 0.00 0.00 0.00 0.00 17.79 17.83 2odk h ALA 11 CO 0.02 0.24 -0.76 0.54 0.00 0.00 0.00 179.25 179.28 2odk n ARG 12 N -4.36 3.57 -0.22 0.00 1.74 -0.11 -4.87 116.66 112.41 2odk n ARG 12 Ca -0.01 -4.20 -0.05 0.00 -0.77 0.00 0.00 57.85 52.81 2odk n ARG 12 Cb 0.20 -2.28 0.05 0.00 -1.02 0.00 0.00 32.46 29.41 2odk n ARG 12 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2odk h PHE 13 N 2.24 0.77 -0.38 -1.55 3.57 -0.93 0.10 116.94 120.76 2odk h PHE 13 Ca 0.36 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 2odk h PHE 13 Cb 1.42 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2odk h PHE 13 CO 0.86 0.48 0.09 0.77 -2.23 0.00 0.00 178.31 178.27 2odk h SER 14 N 0.83 0.52 -0.42 0.41 0.02 -1.88 0.54 113.55 113.56 2odk h SER 14 Ca 0.23 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2odk h SER 14 Cb -0.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2odk h SER 14 CO -0.06 0.53 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.03 2odk h GLU 15 N 0.55 0.78 -0.35 3.45 4.81 -1.58 -0.58 114.58 121.66 2odk h GLU 15 Ca 0.13 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2odk h GLU 15 Cb 0.22 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2odk h GLU 15 CO -0.00 0.88 0.21 0.35 -0.73 0.00 0.00 179.01 179.71 2odk h PHE 16 N 0.61 0.39 -0.35 0.92 3.57 -0.56 0.15 116.94 121.66 2odk h PHE 16 Ca 0.11 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2odk h PHE 16 Cb 0.55 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2odk h PHE 16 CO 0.04 0.23 0.10 1.25 -2.23 0.00 0.00 178.31 177.71 2odk h LEU 17 N 0.43 0.53 -1.12 0.59 5.85 -0.82 -1.43 115.31 119.33 2odk h LEU 17 Ca 0.14 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 2odk h LEU 17 Cb -0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2odk h LEU 17 CO -0.06 0.61 -0.26 0.44 -0.34 0.00 0.00 178.44 178.82 2odk h ASP 18 N 0.42 0.29 -0.68 1.25 3.32 -0.85 -2.38 116.42 117.78 2odk h ASP 18 Ca 0.11 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 2odk h ASP 18 Cb 0.28 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2odk h ASP 18 CO -0.00 0.56 0.17 0.00 -1.72 0.00 0.00 179.24 178.25 2odk h ALA 19 N 1.47 0.90 -0.57 3.45 0.00 -0.51 0.86 119.26 124.86 2odk h ALA 19 Ca 0.04 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.79 2odk h ALA 19 Cb 0.61 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2odk h ALA 19 CO 0.04 0.61 0.22 0.00 0.00 0.00 0.00 179.25 180.13 2odk h ILE 21 N 0.41 1.53 0.00 0.00 2.04 -1.02 -2.07 117.51 118.39 2odk h ILE 21 Ca 0.28 -3.14 -0.03 0.00 1.00 0.00 0.00 64.86 62.96 2odk h ILE 21 Cb 0.32 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 2odk h ILE 21 CO -0.27 0.91 -1.49 0.35 0.00 0.00 0.00 178.15 177.64 2odk n THR 22 N -3.47 0.48 -0.02 -0.27 -2.24 0.26 -4.68 114.28 104.34 2odk n THR 22 Ca -0.07 -0.56 -0.04 0.00 -2.27 0.00 0.00 64.05 61.11 2odk n THR 22 Cb 1.00 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 2odk n THR 22 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2odk n GLU 23 N -2.54 0.11 0.00 -0.78 -0.58 0.75 -5.06 120.64 112.53 2odk n GLU 23 Ca -0.04 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2odk n GLU 23 Cb 0.62 -0.93 0.00 0.00 -0.57 0.00 0.00 31.44 30.55 2odk n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2odk n GLY 24 N 3.07 1.67 3.53 0.62 0.00 -0.78 -4.12 105.19 109.18 2odk n GLY 24 Ca -0.08 -1.84 -0.50 0.00 0.00 0.00 0.00 46.02 43.60 2odk n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2odk n PRO 25 N -1.94 0.76 -4.80 1.61 -0.02 -1.26 -3.37 135.00 125.97 2odk n PRO 25 Ca 0.00 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.42 2odk n PRO 25 Cb 0.00 -1.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 2odk n PRO 25 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2odk s GLN 26 N -0.55 3.23 0.15 -0.52 -1.52 -0.60 -0.63 119.66 119.22 2odk s GLN 26 Ca 0.73 -0.76 -0.16 0.00 -1.95 0.00 0.00 55.36 53.22 2odk s GLN 26 Cb -0.92 -2.54 -0.07 0.00 -0.22 0.00 0.00 33.01 29.26 2odk s GLN 26 CO 0.54 0.13 0.58 0.42 -0.25 0.00 0.00 175.29 176.71 2odk s ILE 27 N 0.52 4.80 -0.08 1.08 1.01 0.01 -0.18 121.20 128.36 2odk s ILE 27 Ca -0.11 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.49 2odk s ILE 27 Cb -0.16 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2odk s ILE 27 CO 0.04 0.27 -0.09 -0.69 0.00 0.00 0.00 174.94 174.48 2odk s VAL 28 N -1.43 3.50 0.25 2.92 1.01 0.12 -0.29 120.40 126.47 2odk s VAL 28 Ca 0.38 -0.54 0.11 0.00 0.00 0.00 0.00 61.98 61.92 2odk s VAL 28 Cb -0.16 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2odk s VAL 28 CO 0.19 0.57 -0.12 -0.94 0.00 0.00 0.00 175.10 174.81 2odk s SER 29 N -0.48 4.01 -0.00 3.32 1.04 0.08 -0.91 113.70 120.75 2odk s SER 29 Ca 0.07 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.73 2odk s SER 29 Cb -0.12 -0.55 -0.01 0.00 0.10 0.00 0.00 66.02 65.44 2odk s SER 29 CO 0.02 0.05 -0.11 -0.13 0.98 0.00 0.00 173.24 174.04 2odk s ARG 30 N -3.37 0.89 -1.37 4.02 0.52 -0.63 -0.77 118.95 118.24 2odk s ARG 30 Ca 0.29 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 2odk s ARG 30 Cb -0.06 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.55 2odk s ARG 30 CO 0.16 0.23 0.00 0.54 0.02 0.00 0.00 175.30 176.25 2odk n ARG 31 N 2.64 -1.85 -2.12 3.54 1.74 -1.26 -1.06 116.66 118.29 2odk n ARG 31 Ca -0.15 0.77 -0.11 0.00 -0.77 0.00 0.00 57.85 57.59 2odk n ARG 31 Cb 0.56 -5.30 -0.01 0.00 -1.02 0.00 0.00 32.46 26.69 2odk n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2odk n GLY 32 N -0.71 0.05 3.04 -0.13 0.00 -1.26 -5.01 105.19 101.17 2odk n GLY 32 Ca -0.17 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 2odk n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2odk s ALA 33 N -2.55 1.03 0.29 4.61 0.00 -0.22 -5.11 121.76 119.80 2odk s ALA 33 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 2odk s ALA 33 Cb 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 23.12 22.66 2odk s ALA 33 CO 0.00 0.19 1.51 -1.83 0.00 0.00 0.00 175.76 175.63 2odk s GLU 34 N 0.08 4.18 -0.00 0.00 -1.05 -1.26 -1.60 118.70 119.05 2odk s GLU 34 Ca -0.02 2.46 0.00 0.00 -0.15 0.00 0.00 54.97 57.26 2odk s GLU 34 Cb -0.09 -3.05 -0.00 0.00 -0.44 0.00 0.00 34.13 30.55 2odk s GLU 34 CO 0.01 -0.52 -0.00 0.39 0.95 0.00 0.00 175.26 176.08 2odk n GLU 35 N 2.02 0.00 -3.83 -4.83 -0.58 -0.09 -4.88 120.64 108.46 2odk n GLU 35 Ca 0.07 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.74 2odk n GLU 35 Cb 0.39 -0.96 -0.02 0.00 -0.57 0.00 0.00 31.44 30.27 2odk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2odk s ALA 36 N -2.00 -1.28 -0.01 0.62 0.00 -1.05 -5.01 121.76 113.02 2odk s ALA 36 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2odk s ALA 36 Cb 0.00 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2odk s ALA 36 CO 0.00 -1.03 0.01 0.54 0.00 0.00 0.00 175.76 175.29 2odk s VAL 37 N -3.85 0.01 -0.24 0.00 0.11 -1.26 -0.71 120.40 114.46 2odk s VAL 37 Ca 0.11 0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 59.08 2odk s VAL 37 Cb -0.05 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.68 2odk s VAL 37 CO 0.06 0.05 0.41 -0.22 -3.33 0.00 0.00 175.10 172.07 2odk s LEU 38 N 0.53 4.09 -0.03 2.54 2.96 0.75 -4.92 118.68 124.61 2odk s LEU 38 Ca -0.05 0.44 0.07 0.00 -0.22 0.00 0.00 54.13 54.38 2odk s LEU 38 Cb -0.07 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 2odk s LEU 38 CO -0.01 -0.16 -0.26 -0.69 -1.32 0.00 0.00 176.35 173.91 2odk s VAL 39 N 1.78 2.06 0.37 1.68 1.01 -1.26 -1.56 120.40 124.47 2odk s VAL 39 Ca 0.18 -1.10 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 2odk s VAL 39 Cb -0.15 -1.71 -0.11 0.00 0.00 0.00 0.00 36.38 34.40 2odk s VAL 39 CO 0.09 0.58 1.43 -2.65 0.00 0.00 0.00 175.10 174.55 2odk n PRO 40 N 2.58 2.52 -0.30 2.72 -0.02 -1.26 -4.82 135.00 136.41 2odk n PRO 40 Ca -0.16 0.88 -0.05 0.00 -2.02 0.00 0.00 63.50 62.15 2odk n PRO 40 Cb 0.51 -2.57 0.08 0.00 -0.02 0.00 0.00 33.50 31.50 2odk n PRO 40 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2odk h ILE 41 N 2.82 1.26 -0.73 4.25 6.09 -1.99 -2.02 117.51 127.19 2odk h ILE 41 Ca -0.49 -0.75 -0.06 0.00 -1.37 0.00 0.00 64.86 62.18 2odk h ILE 41 Cb 1.25 0.20 -0.03 0.00 0.47 0.00 0.00 36.82 38.72 2odk h ILE 41 CO 0.63 0.32 0.21 1.23 -3.07 0.00 0.00 178.15 177.47 2odk h GLY 42 N 1.20 1.24 1.00 8.18 0.00 -1.99 -0.01 103.07 112.69 2odk h GLY 42 Ca 0.29 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2odk h GLY 42 CO -0.03 0.70 0.41 0.83 0.00 0.00 0.00 176.54 178.44 2odk h GLU 43 N 1.10 0.93 -0.10 4.80 5.08 -1.76 -0.41 114.58 124.22 2odk h GLU 43 Ca 0.23 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2odk h GLU 43 Cb 0.34 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2odk h GLU 43 CO -0.00 0.66 0.06 2.35 -1.00 0.00 0.00 179.01 181.08 2odk h TRP 44 N 0.93 0.13 -0.82 4.33 2.91 -0.95 -0.75 115.95 121.73 2odk h TRP 44 Ca 0.24 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.31 2odk h TRP 44 Cb -0.02 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 28.53 2odk h TRP 44 CO -0.01 0.15 0.51 0.00 -1.03 0.00 0.00 178.44 178.06 2odk h ARG 45 N 0.07 0.93 -0.30 2.65 2.47 -0.70 -0.42 114.38 119.08 2odk h ARG 45 Ca 0.03 -0.06 -0.15 0.00 -1.26 0.00 0.00 59.98 58.55 2odk h ARG 45 Cb 0.06 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.16 2odk h ARG 45 CO -0.01 0.62 -0.41 0.00 0.56 0.00 0.00 179.97 180.73 2odk h ARG 46 N 0.96 0.74 -0.61 0.04 3.08 -0.89 -0.59 114.38 117.11 2odk h ARG 46 Ca 0.35 -0.39 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2odk h ARG 46 Cb 0.10 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 2odk h ARG 46 CO -0.15 1.01 0.37 1.25 -1.07 0.00 0.00 179.97 181.39 2odk h LEU 47 N 0.60 0.60 -0.62 3.04 5.85 -0.67 -1.38 115.31 122.74 2odk h LEU 47 Ca 0.05 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2odk h LEU 47 Cb 0.96 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 2odk h LEU 47 CO 0.09 0.42 0.15 1.56 -0.34 0.00 0.00 178.44 180.31 2odk h GLN 48 N 0.73 1.00 -0.33 1.25 4.20 -0.81 -1.94 115.11 119.21 2odk h GLN 48 Ca 0.25 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 2odk h GLN 48 Cb 0.04 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2odk h GLN 48 CO -0.11 0.91 0.01 0.00 -0.67 0.00 0.00 178.83 178.97 2odk h ALA 49 N 1.05 1.40 0.00 3.87 0.00 -0.80 -2.66 119.26 122.12 2odk h ALA 49 Ca 0.19 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2odk h ALA 49 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2odk h ALA 49 CO 0.00 0.42 -0.46 0.00 0.00 0.00 0.00 179.25 179.22 2odk h ALA 50 N 1.52 0.76 0.00 0.00 0.00 -0.92 -3.51 119.26 117.12 2odk h ALA 50 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2odk h ALA 50 Cb 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2odk h ALA 50 CO 0.01 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.83