#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 3.11 0.00 5.56 5.02 -1.26 -5.05 118.16 125.55 1iox n LYS 2 Ca 0.00 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.78 1iox n LYS 2 Cb 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 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 0.52 3.45 2.70 0.72 0.00 -1.26 -5.08 105.19 106.24 1iox n GLY 3 Ca 0.19 -1.72 -0.06 0.00 0.00 0.00 0.00 46.02 44.43 1iox n GLY 3 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1iox n HIS 4 N -1.01 -1.63 -1.66 1.61 1.44 -1.26 -5.15 115.22 107.55 1iox n HIS 4 Ca 0.00 -1.39 0.00 0.00 -2.01 0.00 0.00 57.72 54.32 1iox n HIS 4 Cb 0.00 1.40 0.00 0.00 0.12 0.00 0.00 29.99 31.51 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1iox n PHE 5 N 0.51 0.00 -3.79 -1.40 3.72 -1.26 -4.96 117.46 110.29 1iox n PHE 5 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 1iox n PHE 5 Cb 0.73 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.15 1iox n PHE 5 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1iox s SER 6 N -0.68 -0.26 0.32 4.37 0.15 -1.25 -5.03 113.70 111.31 1iox s SER 6 Ca 0.00 0.50 -0.14 0.00 0.70 0.00 0.00 55.95 57.01 1iox s SER 6 Cb 0.00 0.51 -0.09 0.00 -1.71 0.00 0.00 66.02 64.73 1iox s SER 6 CO 0.00 -0.09 0.72 0.00 1.20 0.00 0.00 173.24 175.07 1iox s ARG 7 N 0.13 3.97 -0.10 5.44 1.70 -1.26 -1.39 118.95 127.44 1iox s ARG 7 Ca -0.00 0.62 -0.26 0.00 -0.47 0.00 0.00 55.73 55.62 1iox s ARG 7 Cb -0.02 -2.45 -0.02 0.00 -0.57 0.00 0.00 34.95 31.89 1iox s ARG 7 CO 0.00 0.16 0.83 0.00 -1.08 0.00 0.00 175.30 175.22 1iox s PRO 9 N 1.47 2.08 0.46 0.00 0.04 -1.26 -4.67 135.00 133.12 1iox s PRO 9 Ca 0.41 0.77 0.15 0.00 0.04 0.00 0.00 61.00 62.37 1iox s PRO 9 Cb -0.18 -1.91 1.05 0.00 0.04 0.00 0.00 34.50 33.51 1iox s PRO 9 CO 0.18 -1.66 2.02 1.57 0.04 0.00 0.00 177.00 179.15 1iox h LYS 10 N -1.12 0.00 0.00 4.56 2.10 -1.96 -1.29 116.57 118.86 1iox h LYS 10 Ca -0.47 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.17 1iox h LYS 10 Cb 1.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1iox h LYS 10 CO 0.57 0.15 -0.07 0.37 -2.00 0.00 0.00 179.45 178.47 1iox h GLN 11 N 0.00 0.00 -0.19 0.07 5.75 -2.02 -2.27 115.11 116.45 1iox h GLN 11 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1iox h GLN 11 Cb 0.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1iox h GLN 11 CO 0.02 0.07 0.00 0.66 -2.65 0.00 0.00 178.83 176.93 1iox n TYR 12 N -3.86 0.25 -1.46 3.99 4.01 -0.65 -4.70 117.16 114.74 1iox n TYR 12 Ca -0.02 -0.42 -0.26 0.00 -0.16 0.00 0.00 57.90 57.04 1iox n TYR 12 Cb 0.17 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 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 0.20 2.37 0.02 -0.72 5.02 -0.58 -4.40 118.16 120.07 1iox n LYS 13 Ca 0.07 -2.28 0.13 0.00 -2.02 0.00 0.00 58.31 54.20 1iox n LYS 13 Cb 0.33 -2.13 0.34 0.00 -0.02 0.00 0.00 35.03 33.56 1iox n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1iox n HIS 14 N 0.91 0.19 1.03 2.13 8.25 -1.26 -3.14 115.22 123.33 1iox n HIS 14 Ca 0.48 0.06 0.13 0.00 -0.26 0.00 0.00 57.72 58.12 1iox n HIS 14 Cb 0.56 -0.46 0.37 0.00 1.12 0.00 0.00 29.99 31.59 1iox n HIS 14 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1iox n TYR 15 N -1.69 0.00 -3.64 4.41 0.18 -1.26 -4.82 117.16 110.34 1iox n TYR 15 Ca 0.05 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.78 1iox n TYR 15 Cb 0.37 -0.31 -0.06 0.00 -0.38 0.00 0.00 39.34 38.96 1iox n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1iox h ILE 17 N 5.26 0.00 -1.02 0.00 2.04 -1.41 -3.39 117.51 118.98 1iox h ILE 17 Ca -0.27 -0.50 -0.50 0.00 1.00 0.00 0.00 64.86 64.59 1iox h ILE 17 Cb 1.19 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.11 1iox h ILE 17 CO 0.15 0.00 0.50 2.29 0.00 0.00 0.00 178.15 181.09 1iox n LYS 18 N -3.42 2.54 -3.64 2.37 2.85 -0.96 -4.85 118.16 113.06 1iox n LYS 18 Ca -0.02 -2.36 -0.12 0.00 -1.05 0.00 0.00 58.31 54.75 1iox n LYS 18 Cb 0.09 -2.17 -0.07 0.00 -0.65 0.00 0.00 35.03 32.22 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 0.44 -0.54 0.79 2.58 0.00 -1.26 -2.15 107.32 107.17 1iox s GLY 19 Ca 0.59 2.03 -0.04 0.00 0.00 0.00 0.00 44.72 47.31 1iox s GLY 19 CO -0.20 1.84 1.08 0.54 0.00 0.00 0.00 173.10 176.36 1iox n ARG 20 N 3.14 -0.38 -3.64 2.90 5.12 0.25 -4.81 116.66 119.24 1iox n ARG 20 Ca -0.16 -2.60 -0.04 0.00 -1.93 0.00 0.00 57.85 53.12 1iox n ARG 20 Cb 0.56 -0.82 -0.06 0.00 -1.16 0.00 0.00 32.46 30.98 1iox n ARG 20 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iox s ARG 22 N 2.14 3.56 -0.40 0.00 0.52 0.10 -0.74 118.95 124.13 1iox s ARG 22 Ca -0.08 -0.19 -0.17 0.00 -0.52 0.00 0.00 55.73 54.77 1iox s ARG 22 Cb -0.08 -3.83 0.01 0.00 0.52 0.00 0.00 34.95 31.57 1iox s ARG 22 CO -0.20 -0.71 0.42 0.12 0.02 0.00 0.00 175.30 174.95 1iox s PHE 23 N 2.46 3.18 -0.28 -0.53 2.19 -0.48 -1.69 117.98 122.83 1iox s PHE 23 Ca 0.19 -0.28 -0.26 0.00 0.33 0.00 0.00 56.93 56.92 1iox s PHE 23 Cb -0.15 -2.83 0.00 0.00 -1.31 0.00 0.00 43.02 38.73 1iox s PHE 23 CO 0.14 -0.63 0.89 0.08 1.83 0.00 0.00 175.22 177.54 1iox s VAL 24 N 2.10 4.73 -0.02 3.12 1.01 -0.94 -3.75 120.40 126.65 1iox s VAL 24 Ca 0.12 1.50 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 1iox s VAL 24 Cb -0.17 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1iox s VAL 24 CO 0.13 -0.25 0.35 0.58 0.00 0.00 0.00 175.10 175.91 1iox h VAL 25 N 5.57 0.00 -0.64 2.92 2.07 -1.92 -2.58 116.25 121.66 1iox h VAL 25 Ca -0.23 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.12 1iox h VAL 25 Cb 1.08 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 1iox h VAL 25 CO 0.92 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 178.06 1iox h ALA 26 N -1.71 -0.50 -2.63 1.67 0.00 -1.96 -2.92 119.26 111.21 1iox h ALA 26 Ca -0.01 0.07 -0.78 0.00 0.00 0.00 0.00 54.91 54.19 1iox h ALA 26 Cb 0.10 1.22 -0.25 0.00 0.00 0.00 0.00 17.79 18.87 1iox h ALA 26 CO 0.02 -0.79 0.29 -2.00 0.00 0.00 0.00 179.25 176.77 1iox s GLU 27 N -4.97 3.70 -0.73 0.00 2.56 -1.26 -4.96 118.70 113.03 1iox s GLU 27 Ca -0.10 -2.47 -0.10 0.00 0.00 0.00 0.00 54.97 52.30 1iox s GLU 27 Cb 0.08 -4.54 -0.23 0.00 2.00 0.00 0.00 34.13 31.44 1iox s GLU 27 CO 0.48 -1.37 1.66 1.04 -0.56 0.00 0.00 175.26 176.51 1iox n GLN 28 N 4.22 0.00 -3.31 4.30 1.13 -1.11 -4.52 117.38 118.10 1iox n GLN 28 Ca 0.17 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 55.01 1iox n GLN 28 Cb 0.46 -0.81 -0.08 0.00 0.11 0.00 0.00 30.24 29.92 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1iox s THR 29 N 1.44 -0.01 -1.15 5.09 2.01 -0.98 -4.96 115.64 117.08 1iox s THR 29 Ca 0.97 -1.95 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 1iox s THR 29 Cb -0.69 -0.95 0.04 0.00 0.01 0.00 0.00 72.50 70.91 1iox s THR 29 CO 0.40 -0.91 1.68 -2.16 -0.69 0.00 0.00 174.62 172.94 1iox s PRO 30 N 0.60 3.56 -0.03 4.92 0.04 -1.26 -2.21 135.00 140.61 1iox s PRO 30 Ca 0.27 -1.45 -0.19 0.00 0.04 0.00 0.00 61.00 59.67 1iox s PRO 30 Cb -0.05 -5.40 -0.05 0.00 0.04 0.00 0.00 34.50 29.04 1iox s PRO 30 CO -0.11 -2.53 0.55 -1.12 0.04 0.00 0.00 177.00 173.83 1iox s SER 31 N 5.08 6.90 -0.22 6.66 0.01 -0.68 -4.94 113.70 126.51 1iox s SER 31 Ca 0.54 1.07 -0.02 0.00 1.31 0.00 0.00 55.95 58.85 1iox s SER 31 Cb 0.01 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1iox s SER 31 CO 0.01 0.10 -0.08 0.00 0.41 0.00 0.00 173.24 173.68 1iox s VAL 33 N 1.41 4.68 0.42 0.00 1.01 0.70 -4.93 120.40 123.69 1iox s VAL 33 Ca 0.05 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1iox s VAL 33 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1iox s VAL 33 CO -0.06 0.03 0.73 0.00 0.00 0.00 0.00 175.10 175.80 1iox n ASP 35 N -1.81 2.92 -0.32 0.00 9.92 -0.92 -4.81 116.55 121.54 1iox n ASP 35 Ca 0.00 1.05 0.13 0.00 -0.53 0.00 0.00 54.79 55.44 1iox n ASP 35 Cb 0.55 -1.34 0.28 0.00 -0.64 0.00 0.00 41.12 39.97 1iox n ASP 35 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1iox h GLU 36 N 7.08 0.07 -1.97 -1.24 4.39 -1.93 0.26 114.58 121.24 1iox h GLU 36 Ca -0.47 -0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.74 1iox h GLU 36 Cb 1.28 -0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 29.74 1iox h GLU 36 CO 0.90 0.05 0.38 0.41 -1.16 0.00 0.00 179.01 179.59 1iox n GLY 37 N -1.44 4.31 3.52 -3.84 0.00 -1.26 -4.92 105.19 101.55 1iox n GLY 37 Ca 0.22 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.68 2.42 0.01 1.61 1.13 0.92 -1.58 117.35 120.18 1iox s TYR 38 Ca 0.58 -0.30 -0.04 0.00 -1.41 0.00 0.00 57.07 55.90 1iox s TYR 38 Cb 0.38 -1.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.14 1iox s TYR 38 CO -0.21 0.65 0.06 0.42 -2.51 0.00 0.00 175.55 173.96 1iox s ILE 39 N -2.29 0.10 0.00 -3.49 -1.09 -0.75 -4.58 121.20 109.10 1iox s ILE 39 Ca 0.29 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 1iox s ILE 39 Cb -0.06 -0.40 0.00 0.00 -1.58 0.00 0.00 42.46 40.42 1iox s ILE 39 CO 0.16 -0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.02 1iox n GLY 40 N 1.45 2.40 0.09 6.18 0.00 -1.26 -1.54 105.19 112.51 1iox n GLY 40 Ca -0.23 -2.14 -0.18 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.67 4.61 0.00 -2.00 -3.34 119.26 117.92 1iox h ALA 41 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 54.91 53.99 1iox h ALA 41 Cb 0.00 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1iox h ALA 41 CO 0.00 0.31 0.22 0.54 0.00 0.00 0.00 179.25 180.32 1iox n ARG 42 N -4.39 3.69 -2.86 0.00 1.74 -1.26 -4.95 116.66 108.63 1iox n ARG 42 Ca -0.17 -2.83 -0.05 0.00 -0.77 0.00 0.00 57.85 54.03 1iox n ARG 42 Cb 0.64 -2.16 0.01 0.00 -1.02 0.00 0.00 32.46 29.93 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 -0.85 0.00 -2.90 0.00 0.00 -1.19 -2.25 120.64 113.45 1iox n GLU 44 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.02 1iox n GLU 44 Cb 0.46 -0.94 0.09 0.00 0.00 0.00 0.00 31.44 31.05 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1iox s ARG 45 N -1.89 1.99 -0.02 5.31 0.52 -0.59 -4.95 118.95 119.32 1iox s ARG 45 Ca 0.00 -1.55 -0.04 0.00 -0.52 0.00 0.00 55.73 53.63 1iox s ARG 45 Cb 0.00 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.94 1iox s ARG 45 CO 0.00 -1.16 0.08 0.54 0.02 0.00 0.00 175.30 174.78 1iox s VAL 46 N -2.88 0.04 0.00 3.52 0.11 -1.26 -1.80 120.40 118.13 1iox s VAL 46 Ca 0.65 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1iox s VAL 46 Cb -0.05 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 1iox s VAL 46 CO 0.42 -0.19 0.00 -0.67 -3.33 0.00 0.00 175.10 171.33 1iox n ASP 47 N 2.38 0.00 -3.52 3.54 2.03 -0.61 -4.78 116.55 115.58 1iox n ASP 47 Ca -0.17 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.03 1iox n ASP 47 Cb 0.58 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.94 1iox n ASP 47 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1iox s LEU 48 N 0.00 0.47 -0.11 -2.67 2.96 -1.26 -5.02 118.68 113.05 1iox s LEU 48 Ca 0.00 -1.15 -0.05 0.00 -0.22 0.00 0.00 54.13 52.71 1iox s LEU 48 Cb 0.00 1.92 -0.26 0.00 0.50 0.00 0.00 46.19 48.35 1iox s LEU 48 CO 0.00 -1.31 0.40 0.49 -1.32 0.00 0.00 176.35 174.61 1iox n PHE 49 N -0.48 1.25 0.00 5.38 3.01 -1.26 -4.21 117.46 121.15 1iox n PHE 49 Ca -0.02 0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.72 1iox n PHE 49 Cb 0.61 -1.17 0.00 0.00 -0.01 0.00 0.00 39.48 38.91 1iox n PHE 49 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43