#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iox n LYS 2 N 0.00 0.00 0.00 5.56 5.02 -1.26 -4.66 118.16 122.82 1iox n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iox n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iox n GLY 3 N 0.00 2.06 2.54 0.72 0.00 -1.26 -5.09 105.19 104.17 1iox n GLY 3 Ca 0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1iox n GLY 3 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iox n HIS 4 N -0.57 1.20 -1.45 1.61 8.25 -1.26 -5.09 115.22 117.91 1iox n HIS 4 Ca 0.00 -3.80 0.00 0.00 -0.26 0.00 0.00 57.72 53.66 1iox n HIS 4 Cb 0.00 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.87 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 2.06 0.00 -4.65 4.41 3.72 -1.26 -4.99 117.46 116.76 1iox n PHE 5 Ca 0.25 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.42 1iox n PHE 5 Cb 0.43 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.73 1.76 -0.14 4.37 0.01 -1.10 -5.01 113.70 112.85 1iox s SER 6 Ca 0.00 -0.28 -0.15 0.00 1.31 0.00 0.00 55.95 56.82 1iox s SER 6 Cb 0.00 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 1iox s SER 6 CO 0.00 0.12 0.36 -0.60 0.41 0.00 0.00 173.24 173.53 1iox s ARG 7 N 0.07 4.28 0.05 12.44 3.52 -1.26 -1.15 118.95 136.90 1iox s ARG 7 Ca -0.03 0.23 -0.31 0.00 -0.13 0.00 0.00 55.73 55.49 1iox s ARG 7 Cb -0.10 -3.42 -0.07 0.00 -1.56 0.00 0.00 34.95 29.80 1iox s ARG 7 CO 0.01 0.22 1.46 0.00 -0.81 0.00 0.00 175.30 176.18 1iox s PRO 9 N 2.06 0.91 0.60 0.00 0.04 -1.26 -4.72 135.00 132.63 1iox s PRO 9 Ca 0.66 0.41 0.30 0.00 0.04 0.00 0.00 61.00 62.41 1iox s PRO 9 Cb -0.35 -1.80 1.76 0.00 0.04 0.00 0.00 34.50 34.14 1iox s PRO 9 CO 0.29 -2.38 2.16 0.87 0.04 0.00 0.00 177.00 177.98 1iox h LYS 10 N -1.63 0.00 -0.30 4.56 1.79 -1.96 -0.87 116.57 118.15 1iox h LYS 10 Ca -0.52 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 57.92 1iox h LYS 10 Cb 1.33 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.96 1iox h LYS 10 CO 0.60 0.00 0.06 0.37 -1.08 0.00 0.00 179.45 179.40 1iox h GLN 11 N 0.00 0.44 -0.49 3.15 -0.00 -2.02 -2.35 115.11 113.84 1iox h GLN 11 Ca 0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1iox h GLN 11 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.71 1iox h GLN 11 CO -0.00 0.42 0.00 0.66 0.00 0.00 0.00 178.83 179.91 1iox n TYR 12 N -4.36 0.87 -0.93 3.99 4.01 -0.37 -4.58 117.16 115.79 1iox n TYR 12 Ca 0.01 -0.57 -0.17 0.00 -0.16 0.00 0.00 57.90 57.01 1iox n TYR 12 Cb 0.18 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.14 1iox n TYR 12 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1iox n LYS 13 N 0.79 1.85 0.12 -0.72 3.00 -0.88 -4.26 118.16 118.06 1iox n LYS 13 Ca 0.19 -1.62 0.12 0.00 -0.00 0.00 0.00 58.31 57.00 1iox n LYS 13 Cb 0.63 -1.65 0.13 0.00 0.00 0.00 0.00 35.03 34.14 1iox n LYS 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1iox h HIS 14 N 1.58 0.00 -0.13 5.64 3.86 -1.81 -3.16 115.15 121.13 1iox h HIS 14 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1iox h HIS 14 Cb 0.90 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1iox h HIS 14 CO 0.85 0.00 0.00 2.48 0.86 0.00 0.00 177.93 182.12 1iox n TYR 15 N -2.61 0.16 -3.64 2.45 0.18 -1.26 -4.81 117.16 107.63 1iox n TYR 15 Ca 0.02 -0.08 -0.04 0.00 1.88 0.00 0.00 57.90 59.68 1iox n TYR 15 Cb 0.51 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.41 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 4.77 0.00 -2.00 0.00 2.08 -0.91 -4.38 119.36 118.93 1iox n ILE 17 Ca -0.17 0.35 -0.39 0.00 0.56 0.00 0.00 62.75 63.11 1iox n ILE 17 Cb 0.55 -1.06 0.03 0.00 -0.75 0.00 0.00 39.64 38.41 1iox n ILE 17 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1iox n LYS 18 N -1.56 3.14 -3.88 0.38 2.85 -0.70 -4.93 118.16 113.47 1iox n LYS 18 Ca 0.00 -3.61 -0.12 0.00 -1.05 0.00 0.00 58.31 53.54 1iox n LYS 18 Cb 0.00 -2.29 -0.13 0.00 -0.65 0.00 0.00 35.03 31.95 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 -1.01 0.02 -0.06 2.58 0.00 -1.26 -2.06 107.32 105.53 1iox s GLY 19 Ca 0.51 -0.01 -0.08 0.00 0.00 0.00 0.00 44.72 45.13 1iox s GLY 19 CO -0.36 -0.04 0.22 0.50 0.00 0.00 0.00 173.10 173.42 1iox s ARG 20 N -0.25 3.56 -0.17 2.90 0.52 0.11 -4.86 118.95 120.75 1iox s ARG 20 Ca -0.03 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 1iox s ARG 20 Cb -0.02 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.29 1iox s ARG 20 CO -0.00 0.73 -0.16 0.00 0.02 0.00 0.00 175.30 175.89 1iox s ARG 22 N 1.03 3.11 -0.30 0.00 0.52 0.68 -1.80 118.95 122.19 1iox s ARG 22 Ca -0.01 -0.97 -0.18 0.00 -0.52 0.00 0.00 55.73 54.05 1iox s ARG 22 Cb -0.15 -4.13 -0.02 0.00 0.52 0.00 0.00 34.95 31.18 1iox s ARG 22 CO -0.04 -1.30 0.54 0.12 0.02 0.00 0.00 175.30 174.64 1iox s PHE 23 N 2.68 3.22 -0.28 -0.53 2.19 -0.30 -1.93 117.98 123.04 1iox s PHE 23 Ca 0.15 0.47 -0.25 0.00 0.33 0.00 0.00 56.93 57.62 1iox s PHE 23 Cb -0.20 -2.85 0.00 0.00 -1.31 0.00 0.00 43.02 38.66 1iox s PHE 23 CO 0.11 -0.41 0.87 0.08 1.83 0.00 0.00 175.22 177.69 1iox s VAL 24 N 2.41 4.76 -0.04 3.12 1.01 -0.88 -2.70 120.40 128.08 1iox s VAL 24 Ca 0.21 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 1iox s VAL 24 Cb -0.15 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 1iox s VAL 24 CO 0.11 -0.20 -0.01 0.58 0.00 0.00 0.00 175.10 175.58 1iox h VAL 25 N 5.54 0.00 -1.33 2.92 2.07 -1.94 -2.59 116.25 120.91 1iox h VAL 25 Ca -0.23 -0.39 0.46 0.00 0.82 0.00 0.00 66.70 67.36 1iox h VAL 25 Cb 1.09 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.72 1iox h VAL 25 CO 0.91 0.00 0.85 0.00 0.02 0.00 0.00 177.57 179.35 1iox h ALA 26 N -1.61 2.75 -3.20 1.67 0.00 -1.96 -2.79 119.26 114.11 1iox h ALA 26 Ca 0.00 0.14 -0.63 0.00 0.00 0.00 0.00 54.91 54.42 1iox h ALA 26 Cb 0.03 0.24 -0.41 0.00 0.00 0.00 0.00 17.79 17.66 1iox h ALA 26 CO 0.00 -1.43 -0.68 -1.21 0.00 0.00 0.00 179.25 175.93 1iox s GLU 27 N -5.30 1.64 -0.80 0.00 0.41 -1.25 -5.03 118.70 108.37 1iox s GLU 27 Ca -0.08 -2.32 -0.09 0.00 -0.41 0.00 0.00 54.97 52.07 1iox s GLU 27 Cb 0.31 -2.85 -0.26 0.00 -1.78 0.00 0.00 34.13 29.55 1iox s GLU 27 CO 0.82 -1.13 1.77 0.94 -0.49 0.00 0.00 175.26 177.17 1iox n GLN 28 N 3.34 0.00 -3.32 1.61 7.27 -1.06 -4.50 117.38 120.72 1iox n GLN 28 Ca 0.07 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.00 1iox n GLN 28 Cb 0.33 -0.85 -0.06 0.00 2.41 0.00 0.00 30.24 32.07 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1iox s THR 29 N 0.93 -0.44 -0.26 1.69 2.01 -0.98 -4.99 115.64 113.60 1iox s THR 29 Ca 1.06 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1iox s THR 29 Cb -0.72 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 1iox s THR 29 CO 0.45 -0.49 1.36 -2.16 -0.69 0.00 0.00 174.62 173.08 1iox s PRO 30 N 1.42 3.95 -0.17 4.92 0.04 -1.26 -2.07 135.00 141.82 1iox s PRO 30 Ca 0.18 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 1iox s PRO 30 Cb -0.13 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1iox s PRO 30 CO -0.04 -1.08 -0.15 -1.12 0.04 0.00 0.00 177.00 174.66 1iox s SER 31 N 2.92 3.60 -0.14 6.66 0.01 -0.81 -4.99 113.70 120.94 1iox s SER 31 Ca 0.59 -0.51 -0.06 0.00 1.31 0.00 0.00 55.95 57.28 1iox s SER 31 Cb -0.19 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 1iox s SER 31 CO 0.23 0.05 0.08 0.00 0.41 0.00 0.00 173.24 174.00 1iox s VAL 33 N -0.37 -0.09 0.44 0.00 1.01 -0.30 -4.97 120.40 116.12 1iox s VAL 33 Ca 0.10 0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 1iox s VAL 33 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 1iox s VAL 33 CO 0.02 0.13 0.67 0.00 0.00 0.00 0.00 175.10 175.92 1iox n ASP 35 N -2.06 2.39 -0.21 0.00 -0.08 -0.87 -4.82 116.55 110.89 1iox n ASP 35 Ca 0.00 1.10 0.01 0.00 -1.51 0.00 0.00 54.79 54.39 1iox n ASP 35 Cb 0.57 -1.31 0.10 0.00 2.34 0.00 0.00 41.12 42.83 1iox n ASP 35 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1iox h GLU 36 N 5.37 0.10 -1.78 -0.67 4.39 -1.94 0.50 114.58 120.54 1iox h GLU 36 Ca -0.46 -0.01 -0.42 0.00 0.34 0.00 0.00 59.36 58.81 1iox h GLU 36 Cb 1.29 -0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 29.76 1iox h GLU 36 CO 0.84 0.06 0.39 0.41 -1.16 0.00 0.00 179.01 179.55 1iox n GLY 37 N -1.38 4.24 3.70 -3.84 0.00 -1.26 -4.91 105.19 101.73 1iox n GLY 37 Ca 0.09 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.72 2.73 -0.01 1.61 1.13 0.16 -1.79 117.35 119.46 1iox s TYR 38 Ca 0.48 -0.28 -0.06 0.00 -1.41 0.00 0.00 57.07 55.80 1iox s TYR 38 Cb 0.33 -1.40 0.00 0.00 -1.10 0.00 0.00 41.96 39.79 1iox s TYR 38 CO -0.12 0.50 0.12 0.42 -2.51 0.00 0.00 175.55 173.95 1iox s ILE 39 N -2.35 0.06 0.00 -3.49 -1.09 -0.86 -4.52 121.20 108.95 1iox s ILE 39 Ca 0.34 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 1iox s ILE 39 Cb -0.05 -0.33 0.00 0.00 -1.58 0.00 0.00 42.46 40.50 1iox s ILE 39 CO 0.21 -0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.27 1iox n GLY 40 N 2.00 3.18 0.14 6.18 0.00 -1.26 -0.14 105.19 115.30 1iox n GLY 40 Ca -0.19 -1.94 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 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 0.05 -0.33 4.61 0.00 -2.00 -3.20 119.26 118.40 1iox h ALA 41 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1iox h ALA 41 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1iox h ALA 41 CO 0.00 0.40 0.00 0.54 0.00 0.00 0.00 179.25 180.19 1iox n ARG 42 N -4.15 1.83 -2.87 0.00 1.74 -1.26 -4.91 116.66 107.04 1iox n ARG 42 Ca -0.11 -1.28 -0.10 0.00 -0.77 0.00 0.00 57.85 55.58 1iox n ARG 42 Cb 0.72 -1.31 0.05 0.00 -1.02 0.00 0.00 32.46 30.91 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iox n GLU 44 N -2.86 1.46 -2.58 0.00 4.07 -1.24 -1.72 120.64 117.77 1iox n GLU 44 Ca -0.15 -0.05 -0.24 0.00 -0.06 0.00 0.00 57.16 56.67 1iox n GLU 44 Cb 0.59 -1.29 0.12 0.00 -0.06 0.00 0.00 31.44 30.80 1iox n GLU 44 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1iox s ARG 45 N -2.50 1.56 0.01 5.31 6.06 0.80 -4.97 118.95 125.23 1iox s ARG 45 Ca -0.05 -1.15 -0.07 0.00 -2.50 0.00 0.00 55.73 51.96 1iox s ARG 45 Cb 0.05 -2.31 -0.00 0.00 0.06 0.00 0.00 34.95 32.75 1iox s ARG 45 CO 0.48 -1.55 0.12 0.54 -2.50 0.00 0.00 175.30 172.40 1iox s VAL 46 N -3.19 0.09 -1.10 7.11 0.11 -1.25 -2.03 120.40 120.14 1iox s VAL 46 Ca 0.67 -0.78 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1iox s VAL 46 Cb -0.05 -0.51 0.29 0.00 -1.53 0.00 0.00 36.38 34.58 1iox s VAL 46 CO 0.45 -0.43 1.63 -0.67 -3.33 0.00 0.00 175.10 172.76 1iox n ASP 47 N 1.32 6.53 -2.54 3.54 2.03 -0.74 -4.64 116.55 122.04 1iox n ASP 47 Ca -0.22 -3.43 -0.32 0.00 0.52 0.00 0.00 54.79 51.34 1iox n ASP 47 Cb 0.56 -1.28 0.03 0.00 -0.72 0.00 0.00 41.12 39.71 1iox n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1iox n LEU 48 N 1.35 6.16 0.00 -2.67 7.99 -1.26 -4.70 117.00 123.87 1iox n LEU 48 Ca 0.33 -4.88 0.08 0.00 -0.01 0.00 0.00 56.01 51.53 1iox n LEU 48 Cb 0.32 -0.73 0.38 0.00 -0.11 0.00 0.00 43.42 43.28 1iox n LEU 48 CO 0.70 1.94 0.76 0.49 -1.51 0.00 0.00 177.39 179.77 1iox n PHE 49 N -0.60 0.00 1.50 -1.77 3.01 -1.26 -5.29 117.46 113.05 1iox n PHE 49 Ca 0.48 0.00 0.14 0.00 1.01 0.00 0.00 57.45 59.08 1iox n PHE 49 Cb 0.56 -0.42 0.53 0.00 -0.01 0.00 0.00 39.48 40.14 1iox n PHE 49 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43