#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iox s LYS 2 N 0.00 2.96 0.35 -0.14 1.02 -1.26 -5.12 119.74 117.56 1iox s LYS 2 Ca 0.00 -0.85 0.08 0.00 0.02 0.00 0.00 55.97 55.22 1iox s LYS 2 Cb 0.00 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1iox s LYS 2 CO 0.00 -0.23 0.17 0.20 -0.92 0.00 0.00 175.35 174.57 1iox s GLY 3 N 1.29 2.00 -0.34 -3.33 0.00 -1.26 -5.07 107.32 100.61 1iox s GLY 3 Ca 0.04 -1.86 0.04 0.00 0.00 0.00 0.00 44.72 42.95 1iox s GLY 3 CO -0.12 -1.76 1.35 1.42 0.00 0.00 0.00 173.10 173.99 1iox n HIS 4 N -1.21 -0.69 -0.73 1.90 8.25 -1.26 -5.16 115.22 116.32 1iox n HIS 4 Ca -0.02 -0.89 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 1iox n HIS 4 Cb 0.62 1.23 0.00 0.00 1.12 0.00 0.00 29.99 32.96 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1iox n PHE 5 N 0.37 0.00 -4.40 4.41 3.72 -1.26 -5.08 117.46 115.23 1iox n PHE 5 Ca -0.07 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.00 1iox n PHE 5 Cb 0.74 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 39.13 1iox n PHE 5 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1iox s SER 6 N -1.00 3.55 -0.42 4.37 0.01 -1.23 -5.03 113.70 113.95 1iox s SER 6 Ca 0.00 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.46 1iox s SER 6 Cb 0.00 -1.55 0.02 0.00 0.21 0.00 0.00 66.02 64.70 1iox s SER 6 CO 0.00 0.06 1.12 -0.13 0.41 0.00 0.00 173.24 174.70 1iox s ARG 7 N 0.98 3.85 -0.31 12.44 3.00 -1.26 -2.04 118.95 135.60 1iox s ARG 7 Ca -0.02 0.76 -0.43 0.00 0.00 0.00 0.00 55.73 56.04 1iox s ARG 7 Cb -0.15 -3.85 -0.18 0.00 0.00 0.00 0.00 34.95 30.77 1iox s ARG 7 CO -0.03 -1.21 1.56 0.00 0.00 0.00 0.00 175.30 175.62 1iox s PRO 9 N 2.60 1.14 0.25 0.00 0.04 -1.26 -4.69 135.00 133.08 1iox s PRO 9 Ca 0.99 0.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.60 1iox s PRO 9 Cb -1.28 -1.81 0.43 0.00 0.04 0.00 0.00 34.50 31.88 1iox s PRO 9 CO 0.71 -2.26 1.78 0.87 0.04 0.00 0.00 177.00 178.13 1iox h LYS 10 N -1.56 0.62 -0.42 4.56 1.79 -1.94 0.15 116.57 119.78 1iox h LYS 10 Ca -0.51 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 57.99 1iox h LYS 10 Cb 1.30 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 1iox h LYS 10 CO 0.58 0.41 0.29 1.96 -1.08 0.00 0.00 179.45 181.60 1iox h GLN 11 N 0.64 0.31 0.00 3.15 1.08 -2.01 -0.08 115.11 118.21 1iox h GLN 11 Ca 0.41 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 1iox h GLN 11 Cb 0.50 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1iox h GLN 11 CO -0.31 0.21 -0.66 0.66 -0.95 0.00 0.00 178.83 177.78 1iox n TYR 12 N -4.47 0.18 -1.22 2.96 4.01 0.21 -4.19 117.16 114.63 1iox n TYR 12 Ca 0.05 0.05 -0.22 0.00 -0.16 0.00 0.00 57.90 57.62 1iox n TYR 12 Cb 0.26 -0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 38.90 1iox n TYR 12 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1iox n LYS 13 N -1.73 2.15 0.11 -0.72 5.02 0.29 -4.33 118.16 118.94 1iox n LYS 13 Ca 0.04 -2.00 0.12 0.00 -2.02 0.00 0.00 58.31 54.45 1iox n LYS 13 Cb 0.38 -1.92 0.16 0.00 -0.02 0.00 0.00 35.03 33.62 1iox n LYS 13 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iox h HIS 14 N 2.34 0.00 -0.10 2.13 3.86 -1.73 -3.15 115.15 118.50 1iox h HIS 14 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1iox h HIS 14 Cb 0.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1iox h HIS 14 CO 1.20 0.00 0.00 2.48 0.86 0.00 0.00 177.93 182.47 1iox n TYR 15 N -2.46 0.11 -3.17 2.45 0.18 -1.26 -4.67 117.16 108.33 1iox n TYR 15 Ca 0.03 -0.06 0.02 0.00 1.88 0.00 0.00 57.90 59.77 1iox n TYR 15 Cb 0.48 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.44 1iox n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1iox n ILE 17 N 5.21 0.00 -2.26 0.00 5.41 -0.86 -3.76 119.36 123.09 1iox n ILE 17 Ca 0.06 1.29 -0.41 0.00 1.00 0.00 0.00 62.75 64.68 1iox n ILE 17 Cb 0.54 -2.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 1iox n ILE 17 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1iox n LYS 18 N -1.90 4.35 -3.49 0.38 2.85 -0.94 -4.90 118.16 114.52 1iox n LYS 18 Ca 0.00 -3.71 -0.16 0.00 -1.05 0.00 0.00 58.31 53.39 1iox n LYS 18 Cb 0.00 -2.70 -0.05 0.00 -0.65 0.00 0.00 35.03 31.63 1iox n LYS 18 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1iox s GLY 19 N 0.15 -0.59 -0.04 2.58 0.00 -1.25 -2.21 107.32 105.96 1iox s GLY 19 Ca 0.46 1.04 0.04 0.00 0.00 0.00 0.00 44.72 46.25 1iox s GLY 19 CO -0.05 0.69 -0.14 0.50 0.00 0.00 0.00 173.10 174.10 1iox s ARG 20 N -2.07 2.46 -0.07 2.90 0.52 -0.11 -4.91 118.95 117.67 1iox s ARG 20 Ca -0.07 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1iox s ARG 20 Cb -0.00 -2.37 0.02 0.00 0.52 0.00 0.00 34.95 33.12 1iox s ARG 20 CO 0.02 0.62 -0.09 0.00 0.02 0.00 0.00 175.30 175.86 1iox s ARG 22 N 0.90 4.12 -0.38 0.00 1.81 0.33 -1.95 118.95 123.77 1iox s ARG 22 Ca -0.11 0.32 -0.11 0.00 -1.72 0.00 0.00 55.73 54.11 1iox s ARG 22 Cb -0.15 -3.61 0.03 0.00 -0.45 0.00 0.00 34.95 30.77 1iox s ARG 22 CO 0.01 -0.24 0.22 0.12 -0.68 0.00 0.00 175.30 174.73 1iox s PHE 23 N 1.95 3.25 -0.23 -0.53 2.19 -0.87 -1.27 117.98 122.47 1iox s PHE 23 Ca 0.22 -0.95 -0.29 0.00 0.33 0.00 0.00 56.93 56.23 1iox s PHE 23 Cb -0.15 -2.48 0.01 0.00 -1.31 0.00 0.00 43.02 39.08 1iox s PHE 23 CO 0.09 -0.66 1.03 0.08 1.83 0.00 0.00 175.22 177.60 1iox s VAL 24 N 1.56 4.69 -0.05 3.12 1.01 -0.96 -3.55 120.40 126.21 1iox s VAL 24 Ca 0.02 2.02 -0.01 0.00 0.00 0.00 0.00 61.98 64.01 1iox s VAL 24 Cb -0.19 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1iox s VAL 24 CO 0.07 -0.17 0.07 0.58 0.00 0.00 0.00 175.10 175.65 1iox h VAL 25 N 5.44 0.00 -0.96 2.92 2.07 -1.96 -2.54 116.25 121.23 1iox h VAL 25 Ca -0.19 -0.53 0.30 0.00 0.82 0.00 0.00 66.70 67.09 1iox h VAL 25 Cb 1.06 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.67 1iox h VAL 25 CO 0.98 0.00 0.25 0.00 0.02 0.00 0.00 177.57 178.81 1iox h ALA 26 N -1.45 1.48 -3.28 1.67 0.00 -2.02 -2.86 119.26 112.81 1iox h ALA 26 Ca -0.00 0.28 -0.65 0.00 0.00 0.00 0.00 54.91 54.53 1iox h ALA 26 Cb 0.03 0.41 -0.40 0.00 0.00 0.00 0.00 17.79 17.84 1iox h ALA 26 CO 0.01 -0.62 -0.55 -1.21 0.00 0.00 0.00 179.25 176.87 1iox s GLU 27 N -5.85 2.20 -0.75 0.00 2.02 -1.25 -5.02 118.70 110.05 1iox s GLU 27 Ca -0.12 -2.74 -0.09 0.00 0.02 0.00 0.00 54.97 52.05 1iox s GLU 27 Cb 0.29 -3.43 -0.24 0.00 0.10 0.00 0.00 34.13 30.85 1iox s GLU 27 CO 0.78 -1.15 1.66 1.04 0.02 0.00 0.00 175.26 177.60 1iox n GLN 28 N 2.98 0.00 -3.36 1.61 6.02 -1.08 -4.46 117.38 119.09 1iox n GLN 28 Ca 0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.83 1iox n GLN 28 Cb 0.34 -0.79 -0.09 0.00 1.02 0.00 0.00 30.24 30.71 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1iox s THR 29 N 0.83 0.02 -1.05 5.09 2.01 -0.97 -4.96 115.64 116.60 1iox s THR 29 Ca 0.99 -1.84 -0.23 0.00 0.31 0.00 0.00 61.69 60.92 1iox s THR 29 Cb -0.67 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1iox s THR 29 CO 0.42 -0.92 1.69 -2.16 -0.69 0.00 0.00 174.62 172.96 1iox s PRO 30 N 0.76 3.24 -0.46 4.92 0.04 -1.26 -2.28 135.00 139.96 1iox s PRO 30 Ca 0.24 -1.04 -0.22 0.00 0.04 0.00 0.00 61.00 60.02 1iox s PRO 30 Cb -0.10 -5.29 0.03 0.00 0.04 0.00 0.00 34.50 29.18 1iox s PRO 30 CO -0.08 -2.75 0.72 -1.54 0.04 0.00 0.00 177.00 173.39 1iox s SER 31 N 5.88 6.34 -0.07 6.66 1.04 -0.40 -4.96 113.70 128.20 1iox s SER 31 Ca 0.57 -0.34 -0.06 0.00 0.48 0.00 0.00 55.95 56.59 1iox s SER 31 Cb -0.01 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 1iox s SER 31 CO -0.02 -0.88 0.18 0.00 0.98 0.00 0.00 173.24 173.50 1iox s VAL 33 N -1.14 -0.13 0.40 0.00 1.01 -0.31 -4.95 120.40 115.27 1iox s VAL 33 Ca 0.20 0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 1iox s VAL 33 Cb -0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1iox s VAL 33 CO 0.10 0.17 0.72 0.00 0.00 0.00 0.00 175.10 176.09 1iox n ASP 35 N -1.47 2.42 -0.28 0.00 8.00 -0.94 -4.80 116.55 119.48 1iox n ASP 35 Ca 0.01 1.07 0.08 0.00 0.71 0.00 0.00 54.79 56.66 1iox n ASP 35 Cb 0.54 -1.17 0.23 0.00 -0.02 0.00 0.00 41.12 40.70 1iox n ASP 35 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1iox h GLU 36 N 7.07 0.43 -1.56 -1.24 4.81 -1.93 0.19 114.58 122.35 1iox h GLU 36 Ca -0.47 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.48 1iox h GLU 36 Cb 1.31 -0.10 -0.11 0.00 0.63 0.00 0.00 28.75 30.49 1iox h GLU 36 CO 0.94 0.28 0.33 0.41 -0.73 0.00 0.00 179.01 180.24 1iox n GLY 37 N -1.33 3.71 3.86 1.92 0.00 -1.26 -4.88 105.19 107.19 1iox n GLY 37 Ca 0.17 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 1iox n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iox s TYR 38 N -1.43 1.72 0.09 1.61 1.13 0.68 -1.33 117.35 119.82 1iox s TYR 38 Ca 0.24 -0.87 -0.13 0.00 -1.41 0.00 0.00 57.07 54.90 1iox s TYR 38 Cb 0.19 -1.82 0.02 0.00 -1.10 0.00 0.00 41.96 39.25 1iox s TYR 38 CO 0.00 -0.24 0.30 0.42 -2.51 0.00 0.00 175.55 173.52 1iox s ILE 39 N -2.80 0.10 0.00 -3.49 1.01 -0.66 -4.67 121.20 110.69 1iox s ILE 39 Ca 0.25 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1iox s ILE 39 Cb -0.01 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.28 1iox s ILE 39 CO 0.15 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.24 1iox n GLY 40 N 0.03 1.75 0.12 6.18 0.00 -1.26 -1.03 105.19 110.98 1iox n GLY 40 Ca -0.16 -2.03 -0.21 0.00 0.00 0.00 0.00 46.02 43.62 1iox n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iox h ALA 41 N 0.00 0.24 -0.39 4.61 0.00 -2.00 -3.34 119.26 118.38 1iox h ALA 41 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1iox h ALA 41 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1iox h ALA 41 CO 0.00 0.87 0.00 -2.13 0.00 0.00 0.00 179.25 177.99 1iox n ARG 42 N -3.98 2.63 -2.74 0.00 0.63 -1.26 -4.90 116.66 107.05 1iox n ARG 42 Ca -0.28 -1.71 -0.09 0.00 -0.92 0.00 0.00 57.85 54.85 1iox n ARG 42 Cb 0.86 -1.63 0.05 0.00 0.45 0.00 0.00 32.46 32.19 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iox n GLU 44 N -2.69 1.03 -2.40 0.00 1.02 -1.20 -2.22 120.64 114.18 1iox n GLU 44 Ca -0.14 0.05 -0.28 0.00 -0.02 0.00 0.00 57.16 56.77 1iox n GLU 44 Cb 0.59 -1.38 0.01 0.00 -0.02 0.00 0.00 31.44 30.64 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1iox s ARG 45 N -2.37 3.44 0.04 3.49 0.52 -0.20 -4.96 118.95 118.91 1iox s ARG 45 Ca -0.16 0.30 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 1iox s ARG 45 Cb 0.05 -2.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 1iox s ARG 45 CO 0.52 -0.39 -0.09 0.54 0.02 0.00 0.00 175.30 175.90 1iox s VAL 46 N -2.90 0.68 -0.77 3.52 0.11 -1.26 -1.65 120.40 118.12 1iox s VAL 46 Ca 0.50 -0.99 -0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1iox s VAL 46 Cb -0.10 -0.69 0.39 0.00 -1.53 0.00 0.00 36.38 34.44 1iox s VAL 46 CO 0.47 -0.25 2.00 -0.67 -3.33 0.00 0.00 175.10 173.32 1iox n ASP 47 N 1.69 7.49 -3.09 3.54 -0.08 -0.44 -4.79 116.55 120.87 1iox n ASP 47 Ca -0.21 -3.82 -0.15 0.00 -1.51 0.00 0.00 54.79 49.10 1iox n ASP 47 Cb 0.55 -1.01 -0.03 0.00 2.34 0.00 0.00 41.12 42.96 1iox n ASP 47 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1iox s LEU 48 N -3.98 1.04 0.00 -2.67 1.02 -1.26 -4.97 118.68 107.87 1iox s LEU 48 Ca 0.56 -1.54 0.20 0.00 0.02 0.00 0.00 54.13 53.37 1iox s LEU 48 Cb 0.46 1.55 1.12 0.00 0.02 0.00 0.00 46.19 49.34 1iox s LEU 48 CO -0.27 -1.36 1.73 0.49 0.02 0.00 0.00 176.35 176.96 1iox n PHE 49 N -0.60 0.03 1.99 0.29 3.72 -1.26 -5.23 117.46 116.40 1iox n PHE 49 Ca 0.01 -0.01 0.16 0.00 -0.05 0.00 0.00 57.45 57.55 1iox n PHE 49 Cb 0.61 0.00 0.94 0.00 -0.94 0.00 0.00 39.48 40.09 1iox n PHE 49 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37