#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2odk s VAL 3 N 0.00 4.26 -0.22 0.61 1.01 -1.26 -0.49 120.40 124.31 2odk s VAL 3 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2odk s VAL 3 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2odk s VAL 3 CO 0.00 0.35 -0.04 0.26 0.00 0.00 0.00 175.10 175.67 2odk s TRP 4 N 1.55 2.96 0.57 5.22 0.52 0.12 -4.95 118.94 124.93 2odk s TRP 4 Ca 0.06 -0.94 -0.20 0.00 0.02 0.00 0.00 56.10 55.04 2odk s TRP 4 Cb -0.15 -2.11 -0.05 0.00 -1.15 0.00 0.00 33.47 30.01 2odk s TRP 4 CO 0.03 -0.55 1.10 -2.30 0.02 0.00 0.00 176.95 175.25 2odk n PRO 5 N 4.80 1.17 -0.24 4.98 -0.02 -1.26 -0.75 135.00 143.68 2odk n PRO 5 Ca -0.18 0.44 0.05 0.00 -2.02 0.00 0.00 63.50 61.79 2odk n PRO 5 Cb 0.51 -2.29 0.16 0.00 -0.02 0.00 0.00 33.50 31.86 2odk n PRO 5 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2odk h VAL 6 N 0.86 0.41 -0.06 -1.45 2.07 -1.49 0.25 116.25 116.83 2odk h VAL 6 Ca -0.49 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 2odk h VAL 6 Cb 1.34 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2odk h VAL 6 CO 0.53 0.03 -0.24 0.06 0.02 0.00 0.00 177.57 177.97 2odk h GLN 7 N 0.14 0.11 0.15 1.57 -0.00 -1.89 -1.60 115.11 113.58 2odk h GLN 7 Ca 0.40 -0.03 -0.28 0.00 -0.00 0.00 0.00 58.65 58.73 2odk h GLN 7 Cb 0.69 -0.01 0.01 0.00 -0.00 0.00 0.00 27.48 28.17 2odk h GLN 7 CO -0.60 0.35 -1.29 -0.44 -0.00 0.00 0.00 178.83 176.85 2odk h ASP 8 N 0.10 0.49 -0.46 0.06 3.32 -1.37 -1.15 116.42 117.41 2odk h ASP 8 Ca 0.02 -0.53 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 2odk h ASP 8 Cb 0.49 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2odk h ASP 8 CO 0.03 1.41 0.22 0.00 -1.72 0.00 0.00 179.24 179.19 2odk h ALA 9 N 0.51 1.45 0.02 3.45 0.00 -0.87 -0.53 119.26 123.29 2odk h ALA 9 Ca -0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2odk h ALA 9 Cb 2.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2odk h ALA 9 CO 0.21 0.43 -0.01 -0.22 0.00 0.00 0.00 179.25 179.66 2odk h LYS 10 N 0.70 -0.03 -0.04 0.00 3.64 -1.26 -1.72 116.57 117.85 2odk h LYS 10 Ca 0.17 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2odk h LYS 10 Cb 0.11 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2odk h LYS 10 CO -0.02 0.58 -0.23 0.00 -2.27 0.00 0.00 179.45 177.51 2odk h ALA 11 N 0.27 1.54 -0.56 5.00 0.00 -1.05 -2.82 119.26 121.64 2odk h ALA 11 Ca -0.00 -0.23 -0.40 0.00 0.00 0.00 0.00 54.91 54.27 2odk h ALA 11 Cb 0.63 -0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.06 2odk h ALA 11 CO 0.00 0.34 -0.61 0.54 0.00 0.00 0.00 179.25 179.53 2odk n ARG 12 N -4.23 2.98 -0.30 0.00 1.74 -0.22 -4.86 116.66 111.76 2odk n ARG 12 Ca -0.02 -3.86 -0.00 0.00 -0.77 0.00 0.00 57.85 53.20 2odk n ARG 12 Cb 0.31 -2.10 0.13 0.00 -1.02 0.00 0.00 32.46 29.78 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 1.82 0.95 -0.41 -1.55 3.57 -1.04 0.52 116.94 120.80 2odk h PHE 13 Ca 0.29 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 2odk h PHE 13 Cb 1.38 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 2odk h PHE 13 CO 0.87 0.50 0.09 0.77 -2.23 0.00 0.00 178.31 178.31 2odk h SER 14 N 0.95 0.57 -0.33 0.41 0.02 -1.87 -0.10 113.55 113.20 2odk h SER 14 Ca 0.35 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 61.08 2odk h SER 14 Cb 0.13 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2odk h SER 14 CO -0.16 0.57 -0.34 -0.08 -1.14 0.00 0.00 176.83 175.68 2odk h GLU 15 N 0.60 0.82 -0.60 3.45 4.81 -1.57 -1.16 114.58 120.93 2odk h GLU 15 Ca 0.14 -0.44 0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2odk h GLU 15 Cb 0.24 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 2odk h GLU 15 CO -0.00 1.07 0.31 0.35 -0.73 0.00 0.00 179.01 180.01 2odk h PHE 16 N 0.60 0.57 -0.25 0.92 3.57 -0.51 0.25 116.94 122.09 2odk h PHE 16 Ca 0.05 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 2odk h PHE 16 Cb 0.93 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 2odk h PHE 16 CO 0.07 0.27 -0.26 1.25 -2.23 0.00 0.00 178.31 177.40 2odk h LEU 17 N 0.59 0.67 -1.21 0.59 5.85 -0.93 -1.15 115.31 119.71 2odk h LEU 17 Ca 0.27 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 2odk h LEU 17 Cb 0.19 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2odk h LEU 17 CO -0.19 1.01 0.17 0.44 -0.34 0.00 0.00 178.44 179.53 2odk h ASP 18 N 0.33 0.66 -0.62 1.25 3.32 -0.92 -2.20 116.42 118.25 2odk h ASP 18 Ca 0.04 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 2odk h ASP 18 Cb 0.83 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 2odk h ASP 18 CO 0.06 0.62 0.09 0.00 -1.72 0.00 0.00 179.24 178.29 2odk h ALA 19 N 1.48 0.94 -0.48 3.45 0.00 -0.29 0.29 119.26 124.64 2odk h ALA 19 Ca 0.17 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2odk h ALA 19 Cb 0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 2odk h ALA 19 CO -0.01 0.65 0.14 0.00 0.00 0.00 0.00 179.25 180.03 2odk h ILE 21 N 0.30 1.29 0.00 0.00 1.08 -1.05 -1.68 117.51 117.45 2odk h ILE 21 Ca 0.24 -1.99 -0.16 0.00 -0.39 0.00 0.00 64.86 62.56 2odk h ILE 21 Cb 0.27 1.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.98 2odk h ILE 21 CO -0.27 0.63 -1.50 0.35 -0.69 0.00 0.00 178.15 176.67 2odk n THR 22 N -3.93 1.06 -0.01 -0.27 -2.24 0.06 -4.59 114.28 104.36 2odk n THR 22 Ca -0.07 -0.68 -0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2odk n THR 22 Cb 0.74 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.81 1.97 0.00 -0.78 -0.58 0.11 -5.07 120.64 113.49 2odk n GLU 23 Ca -0.10 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 2odk n GLU 23 Cb 0.82 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.59 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 2.56 0.88 3.54 0.62 0.00 -0.63 -5.02 105.19 107.14 2odk n GLY 24 Ca -0.04 -2.27 -0.49 0.00 0.00 0.00 0.00 46.02 43.22 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 -1.11 0.88 -4.63 1.61 -0.02 -1.26 -3.93 135.00 126.54 2odk n PRO 25 Ca 0.00 0.31 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 2odk n PRO 25 Cb 0.00 -1.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.69 3.09 0.16 -0.52 -1.52 -0.63 -4.94 119.66 114.61 2odk s GLN 26 Ca 0.70 -0.82 -0.16 0.00 -1.95 0.00 0.00 55.36 53.14 2odk s GLN 26 Cb -0.88 -2.50 -0.07 0.00 -0.22 0.00 0.00 33.01 29.34 2odk s GLN 26 CO 0.55 -0.00 0.59 0.42 -0.25 0.00 0.00 175.29 176.60 2odk s ILE 27 N 0.81 4.78 -0.15 1.08 1.01 0.35 -0.32 121.20 128.77 2odk s ILE 27 Ca -0.07 0.97 -0.04 0.00 0.00 0.00 0.00 60.65 61.51 2odk s ILE 27 Cb -0.15 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2odk s ILE 27 CO -0.01 0.27 -0.02 -0.69 0.00 0.00 0.00 174.94 174.49 2odk s VAL 28 N -1.44 4.06 0.20 2.92 1.01 0.34 0.15 120.40 127.63 2odk s VAL 28 Ca 0.38 -0.30 0.11 0.00 0.00 0.00 0.00 61.98 62.17 2odk s VAL 28 Cb -0.16 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2odk s VAL 28 CO 0.19 0.50 -0.24 -0.44 0.00 0.00 0.00 175.10 175.12 2odk s SER 29 N 0.20 3.45 -0.14 3.32 0.01 0.07 -0.58 113.70 120.04 2odk s SER 29 Ca -0.01 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2odk s SER 29 Cb -0.14 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.85 2odk s SER 29 CO 0.02 0.12 -0.13 -0.60 0.41 0.00 0.00 173.24 173.07 2odk s ARG 30 N -2.70 2.11 -1.56 12.44 3.52 -0.02 -1.10 118.95 131.64 2odk s ARG 30 Ca 0.21 -0.48 -0.13 0.00 -0.13 0.00 0.00 55.73 55.19 2odk s ARG 30 Cb -0.08 -1.98 0.10 0.00 -1.56 0.00 0.00 34.95 31.43 2odk s ARG 30 CO 0.10 -0.24 0.88 0.54 -0.81 0.00 0.00 175.30 175.76 2odk n ARG 31 N 4.81 -4.68 -0.92 5.12 1.74 -1.26 -1.36 116.66 120.11 2odk n ARG 31 Ca -0.16 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 2odk n ARG 31 Cb 0.50 -5.30 0.00 0.00 -1.02 0.00 0.00 32.46 26.64 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 -1.62 0.91 3.53 -0.13 0.00 -1.26 -5.03 105.19 101.59 2odk n GLY 32 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.63 3.24 0.40 4.61 0.00 -0.47 -5.04 121.76 120.87 2odk s ALA 33 Ca 0.00 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 50.76 2odk s ALA 33 Cb 0.00 -1.94 -0.10 0.00 0.00 0.00 0.00 23.12 21.07 2odk s ALA 33 CO 0.00 -0.12 1.39 0.39 0.00 0.00 0.00 175.76 177.42 2odk n GLU 34 N 4.17 2.29 0.00 0.00 1.02 -1.26 -0.84 120.64 126.02 2odk n GLU 34 Ca -0.16 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 2odk n GLU 34 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 2odk n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2odk n GLU 35 N 0.20 0.00 -3.94 3.49 -0.58 0.25 -4.85 120.64 115.22 2odk n GLU 35 Ca 0.04 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.69 2odk n GLU 35 Cb 0.39 -0.79 -0.03 0.00 -0.57 0.00 0.00 31.44 30.44 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 -1.73 -0.46 -0.07 0.62 0.00 -1.03 -5.01 121.76 114.08 2odk s ALA 36 Ca 0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 2odk s ALA 36 Cb 0.00 0.96 0.03 0.00 0.00 0.00 0.00 23.12 24.11 2odk s ALA 36 CO 0.00 -0.92 0.17 0.54 0.00 0.00 0.00 175.76 175.55 2odk s VAL 37 N -3.62 -0.02 -0.27 0.00 0.11 -1.26 -0.50 120.40 114.84 2odk s VAL 37 Ca 0.19 0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 59.16 2odk s VAL 37 Cb -0.03 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 2odk s VAL 37 CO 0.10 0.03 0.37 -0.22 -3.33 0.00 0.00 175.10 172.05 2odk s LEU 38 N 0.52 4.04 -0.06 2.54 2.96 0.57 -4.92 118.68 124.33 2odk s LEU 38 Ca -0.04 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.21 2odk s LEU 38 Cb -0.05 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 2odk s LEU 38 CO -0.03 -0.18 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.92 2odk s VAL 39 N 2.04 2.32 0.46 1.68 1.01 -1.26 -1.60 120.40 125.04 2odk s VAL 39 Ca 0.15 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 2odk s VAL 39 Cb -0.16 -1.86 -0.08 0.00 0.00 0.00 0.00 36.38 34.28 2odk s VAL 39 CO 0.10 0.57 1.39 -2.65 0.00 0.00 0.00 175.10 174.51 2odk n PRO 40 N 2.83 2.13 0.05 2.72 -0.02 -1.26 -4.77 135.00 136.67 2odk n PRO 40 Ca -0.17 0.76 -0.01 0.00 -2.02 0.00 0.00 63.50 62.06 2odk n PRO 40 Cb 0.52 -2.58 0.28 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.16 1.23 -0.26 4.25 2.10 -1.99 -1.15 117.51 123.85 2odk h ILE 41 Ca -0.50 -1.04 -0.03 0.00 1.08 0.00 0.00 64.86 64.37 2odk h ILE 41 Cb 1.28 1.24 -0.01 0.00 -1.09 0.00 0.00 36.82 38.24 2odk h ILE 41 CO 0.60 0.33 0.05 1.23 -1.08 0.00 0.00 178.15 179.29 2odk h GLY 42 N 0.92 0.46 0.94 8.18 0.00 -2.00 -1.72 103.07 109.85 2odk h GLY 42 Ca 0.07 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.12 2odk h GLY 42 CO 0.03 0.27 0.52 -2.09 0.00 0.00 0.00 176.54 175.27 2odk h GLU 43 N 0.24 1.00 -0.15 4.80 4.81 -1.80 0.33 114.58 123.81 2odk h GLU 43 Ca 0.08 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2odk h GLU 43 Cb 0.31 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2odk h GLU 43 CO 0.00 0.66 0.00 2.35 -0.73 0.00 0.00 179.01 181.30 2odk h TRP 44 N 1.03 0.00 -0.60 0.92 2.91 -1.00 0.62 115.95 119.83 2odk h TRP 44 Ca 0.31 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.27 2odk h TRP 44 Cb -0.05 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.60 2odk h TRP 44 CO -0.02 -0.02 0.12 0.00 -1.03 0.00 0.00 178.44 177.49 2odk h ARG 45 N 0.06 0.94 -0.39 2.65 3.08 -0.73 -1.46 114.38 118.53 2odk h ARG 45 Ca 0.07 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.79 2odk h ARG 45 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2odk h ARG 45 CO -0.12 0.86 -0.23 0.00 -1.07 0.00 0.00 179.97 179.41 2odk h ARG 46 N 0.90 0.78 -0.46 0.04 3.08 -0.62 -2.07 114.38 116.02 2odk h ARG 46 Ca 0.19 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2odk h ARG 46 Cb 0.36 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2odk h ARG 46 CO 0.00 0.93 0.26 1.25 -1.07 0.00 0.00 179.97 181.35 2odk h LEU 47 N 0.67 0.56 -0.64 3.04 5.85 -0.58 -0.06 115.31 124.16 2odk h LEU 47 Ca 0.09 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2odk h LEU 47 Cb 0.75 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2odk h LEU 47 CO 0.06 0.47 0.34 1.56 -0.34 0.00 0.00 178.44 180.53 2odk h GLN 48 N 0.60 0.60 -0.40 1.25 1.08 -0.98 0.47 115.11 117.74 2odk h GLN 48 Ca 0.16 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 2odk h GLN 48 Cb 0.02 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 2odk h GLN 48 CO -0.03 0.40 -0.19 0.00 -0.95 0.00 0.00 178.83 178.06 2odk h ALA 49 N 1.35 0.56 0.00 3.87 0.00 -1.12 -3.05 119.26 120.86 2odk h ALA 49 Ca 0.29 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2odk h ALA 49 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2odk h ALA 49 CO -0.20 0.52 -0.25 0.00 0.00 0.00 0.00 179.25 179.32 2odk h ALA 50 N 0.81 1.19 -0.00 0.00 0.00 -0.59 -3.52 119.26 117.15 2odk h ALA 50 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2odk h ALA 50 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2odk h ALA 50 CO 0.06 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.62