#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iox h LYS 2 N 0.00 0.00 0.00 -0.14 1.79 -2.10 -3.48 116.57 112.64 1iox h LYS 2 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1iox h LYS 2 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1iox h LYS 2 CO 0.00 0.15 0.00 0.41 -1.08 0.00 0.00 179.45 178.93 1iox n GLY 3 N -0.92 0.72 3.10 3.86 0.00 -1.26 -5.00 105.19 105.69 1iox n GLY 3 Ca -0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 1iox n GLY 3 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iox s HIS 4 N 0.00 -1.41 0.00 1.61 2.46 -1.26 -5.15 115.29 111.54 1iox s HIS 4 Ca 0.00 0.08 0.00 0.00 0.47 0.00 0.00 55.06 55.61 1iox s HIS 4 Cb 0.00 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.60 1iox s HIS 4 CO 0.00 -1.12 0.00 1.19 -2.47 0.00 0.00 174.74 172.34 1iox n PHE 5 N 4.47 0.00 -3.88 3.88 3.72 -1.26 -4.93 117.46 119.46 1iox n PHE 5 Ca 0.10 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.39 1iox n PHE 5 Cb 0.54 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.02 0.70 4.37 0.01 -1.24 -5.05 113.70 113.51 1iox s SER 6 Ca 0.00 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 1iox s SER 6 Cb 0.00 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.30 1iox s SER 6 CO 0.00 -0.05 1.08 -0.60 0.41 0.00 0.00 173.24 174.08 1iox s ARG 7 N -0.20 2.72 -0.14 12.44 3.52 -1.26 -1.76 118.95 134.27 1iox s ARG 7 Ca -0.02 0.32 -0.20 0.00 -0.13 0.00 0.00 55.73 55.69 1iox s ARG 7 Cb -0.01 -2.05 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 1iox s ARG 7 CO -0.00 -1.07 0.58 0.00 -0.81 0.00 0.00 175.30 174.00 1iox s PRO 9 N 1.17 1.70 0.27 0.00 0.04 -1.26 -4.82 135.00 132.11 1iox s PRO 9 Ca 0.29 0.59 -0.00 0.00 0.04 0.00 0.00 61.00 61.92 1iox s PRO 9 Cb -0.16 -1.88 0.37 0.00 0.04 0.00 0.00 34.50 32.87 1iox s PRO 9 CO 0.12 -1.87 1.75 0.87 0.04 0.00 0.00 177.00 177.90 1iox h LYS 10 N -1.27 0.66 0.00 4.56 1.57 -1.97 -1.07 116.57 119.06 1iox h LYS 10 Ca -0.48 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 1iox h LYS 10 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1iox h LYS 10 CO 0.59 0.75 0.00 0.94 -0.57 0.00 0.00 179.45 181.16 1iox n GLN 11 N -4.18 0.07 0.00 3.15 0.00 -1.26 -1.72 117.38 113.44 1iox n GLN 11 Ca 0.01 0.52 0.00 0.00 -0.00 0.00 0.00 57.00 57.53 1iox n GLN 11 Cb 0.34 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.88 1iox n GLN 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1iox n TYR 12 N -1.85 0.00 -1.58 3.69 4.01 -0.79 -4.75 117.16 115.89 1iox n TYR 12 Ca -0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 1iox n TYR 12 Cb 0.05 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.59 2.85 0.10 -0.72 5.02 -0.47 -4.43 118.16 119.92 1iox n LYS 13 Ca 0.00 -2.54 0.12 0.00 -2.02 0.00 0.00 58.31 53.87 1iox n LYS 13 Cb 0.00 -2.24 0.16 0.00 -0.02 0.00 0.00 35.03 32.93 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 3.33 0.00 -0.09 2.13 3.86 -1.86 -3.16 115.15 119.37 1iox h HIS 14 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1iox h HIS 14 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1iox h HIS 14 CO 1.50 0.00 0.00 2.48 0.86 0.00 0.00 177.93 182.77 1iox n TYR 15 N -2.42 0.10 -3.16 2.45 0.18 -1.26 -4.69 117.16 108.36 1iox n TYR 15 Ca 0.03 -0.05 0.03 0.00 1.88 0.00 0.00 57.90 59.79 1iox n TYR 15 Cb 0.48 0.00 -0.00 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 5.42 0.00 -1.40 0.00 2.08 -0.97 -3.94 119.36 120.55 1iox n ILE 17 Ca 0.05 0.83 -0.25 0.00 0.56 0.00 0.00 62.75 63.93 1iox n ILE 17 Cb 0.54 -1.77 -0.06 0.00 -0.75 0.00 0.00 39.64 37.60 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 -1.87 2.32 -3.80 0.38 2.85 -0.93 -4.85 118.16 112.27 1iox n LYS 18 Ca 0.00 -2.16 -0.13 0.00 -1.05 0.00 0.00 58.31 54.96 1iox n LYS 18 Cb 0.00 -2.09 -0.14 0.00 -0.65 0.00 0.00 35.03 32.14 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 0.50 -0.00 -0.16 2.58 0.00 -1.25 -2.19 107.32 106.79 1iox s GLY 19 Ca 0.58 0.37 -0.17 0.00 0.00 0.00 0.00 44.72 45.49 1iox s GLY 19 CO -0.19 0.55 0.45 -1.60 0.00 0.00 0.00 173.10 172.31 1iox s ARG 20 N 0.66 4.25 0.05 2.90 3.52 0.15 -4.83 118.95 125.64 1iox s ARG 20 Ca -0.05 0.34 0.06 0.00 -0.13 0.00 0.00 55.73 55.94 1iox s ARG 20 Cb -0.07 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 1iox s ARG 20 CO -0.03 0.04 -0.17 0.00 -0.81 0.00 0.00 175.30 174.34 1iox s ARG 22 N -1.21 2.29 -0.19 0.00 0.52 0.15 -1.56 118.95 118.94 1iox s ARG 22 Ca 0.04 -1.38 -0.04 0.00 -0.52 0.00 0.00 55.73 53.82 1iox s ARG 22 Cb -0.08 -2.18 0.06 0.00 0.52 0.00 0.00 34.95 33.27 1iox s ARG 22 CO 0.02 0.38 0.08 0.12 0.02 0.00 0.00 175.30 175.91 1iox s PHE 23 N -2.23 0.43 -0.33 -0.53 2.19 -0.72 -1.34 117.98 115.46 1iox s PHE 23 Ca 0.31 -0.51 -0.29 0.00 0.33 0.00 0.00 56.93 56.77 1iox s PHE 23 Cb -0.07 -0.81 0.02 0.00 -1.31 0.00 0.00 43.02 40.85 1iox s PHE 23 CO 0.19 -0.56 1.06 0.08 1.83 0.00 0.00 175.22 177.82 1iox s VAL 24 N 2.06 4.51 -0.04 3.12 1.01 -0.98 -3.72 120.40 126.35 1iox s VAL 24 Ca 0.02 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.65 1iox s VAL 24 Cb -0.16 -4.41 -0.01 0.00 0.00 0.00 0.00 36.38 31.80 1iox s VAL 24 CO -0.11 -0.50 0.07 0.58 0.00 0.00 0.00 175.10 175.14 1iox h VAL 25 N 5.76 0.00 -0.96 2.92 2.07 -1.91 -2.48 116.25 121.64 1iox h VAL 25 Ca -0.21 -0.46 0.31 0.00 0.82 0.00 0.00 66.70 67.16 1iox h VAL 25 Cb 1.06 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.67 1iox h VAL 25 CO 1.03 0.00 0.35 0.00 0.02 0.00 0.00 177.57 178.97 1iox h ALA 26 N -1.52 1.64 -3.24 1.67 0.00 -1.92 -2.87 119.26 113.01 1iox h ALA 26 Ca -0.00 0.25 -0.67 0.00 0.00 0.00 0.00 54.91 54.49 1iox h ALA 26 Cb 0.03 0.34 -0.38 0.00 0.00 0.00 0.00 17.79 17.77 1iox h ALA 26 CO 0.01 -0.63 -0.47 -1.21 0.00 0.00 0.00 179.25 176.94 1iox s GLU 27 N -5.78 2.36 -0.75 0.00 8.01 -1.25 -5.02 118.70 116.27 1iox s GLU 27 Ca -0.11 -2.68 -0.10 0.00 0.01 0.00 0.00 54.97 52.09 1iox s GLU 27 Cb 0.30 -3.56 -0.24 0.00 -4.31 0.00 0.00 34.13 26.32 1iox s GLU 27 CO 0.78 -1.16 1.70 1.04 0.01 0.00 0.00 175.26 177.63 1iox n GLN 28 N 3.15 0.00 -3.21 1.61 6.02 -1.09 -4.46 117.38 119.40 1iox n GLN 28 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.88 1iox n GLN 28 Cb 0.35 -0.83 -0.07 0.00 1.02 0.00 0.00 30.24 30.72 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 1.32 -0.14 -0.53 5.09 2.01 -0.94 -4.98 115.64 117.47 1iox s THR 29 Ca 1.00 -1.93 -0.28 0.00 0.31 0.00 0.00 61.69 60.79 1iox s THR 29 Cb -0.70 -0.81 0.03 0.00 0.01 0.00 0.00 72.50 71.02 1iox s THR 29 CO 0.42 -0.79 1.22 -2.16 -0.69 0.00 0.00 174.62 172.61 1iox s PRO 30 N 0.51 3.56 -0.08 4.92 0.04 -1.26 -2.31 135.00 140.38 1iox s PRO 30 Ca 0.29 0.44 0.02 0.00 0.04 0.00 0.00 61.00 61.80 1iox s PRO 30 Cb -0.01 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 1iox s PRO 30 CO -0.13 -1.60 -0.15 0.45 0.04 0.00 0.00 177.00 175.61 1iox s SER 31 N 3.05 3.96 -0.10 6.66 0.15 -0.45 -5.01 113.70 121.96 1iox s SER 31 Ca 0.47 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.90 1iox s SER 31 Cb -0.08 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1iox s SER 31 CO 0.28 0.27 -0.23 0.00 1.20 0.00 0.00 173.24 174.76 1iox s VAL 33 N 0.40 1.40 0.26 0.00 1.01 -0.30 -4.95 120.40 118.22 1iox s VAL 33 Ca -0.18 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 1iox s VAL 33 Cb -0.18 -1.46 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 1iox s VAL 33 CO 0.08 0.24 0.60 0.00 0.00 0.00 0.00 175.10 176.02 1iox n ASP 35 N -0.25 1.65 -0.32 0.00 9.92 -0.93 -4.78 116.55 121.84 1iox n ASP 35 Ca 0.01 1.12 0.14 0.00 -0.53 0.00 0.00 54.79 55.53 1iox n ASP 35 Cb 0.53 -1.08 0.37 0.00 -0.64 0.00 0.00 41.12 40.29 1iox n ASP 35 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1iox h GLU 36 N 5.51 0.67 -1.39 -1.24 4.11 -1.93 0.15 114.58 120.46 1iox h GLU 36 Ca -0.47 -0.04 -0.33 0.00 0.07 0.00 0.00 59.36 58.59 1iox h GLU 36 Cb 1.35 -0.15 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 1iox h GLU 36 CO 0.87 0.44 0.42 0.41 0.07 0.00 0.00 179.01 181.23 1iox n GLY 37 N -1.38 4.02 3.84 1.06 0.00 -1.26 -4.90 105.19 106.56 1iox n GLY 37 Ca 0.22 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.88 2.33 -0.06 1.61 1.13 0.51 -1.65 117.35 119.34 1iox s TYR 38 Ca 0.32 -0.64 -0.06 0.00 -1.41 0.00 0.00 57.07 55.28 1iox s TYR 38 Cb 0.25 -2.02 0.02 0.00 -1.10 0.00 0.00 41.96 39.11 1iox s TYR 38 CO 0.01 -0.14 0.17 0.42 -2.51 0.00 0.00 175.55 173.50 1iox s ILE 39 N -2.61 0.01 0.00 -3.49 -1.09 -0.65 -4.59 121.20 108.78 1iox s ILE 39 Ca 0.41 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1iox s ILE 39 Cb -0.01 -0.29 0.00 0.00 -1.58 0.00 0.00 42.46 40.59 1iox s ILE 39 CO 0.24 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.50 1iox n GLY 40 N 2.75 2.90 0.27 6.18 0.00 -1.26 -1.57 105.19 114.45 1iox n GLY 40 Ca -0.14 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 0.78 -0.14 4.61 0.00 -1.99 -2.65 119.26 119.86 1iox h ALA 41 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1iox h ALA 41 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1iox h ALA 41 CO 0.00 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.44 1iox n ARG 42 N -4.10 1.72 -2.85 0.00 1.74 -1.26 -4.93 116.66 106.99 1iox n ARG 42 Ca -0.00 -1.08 -0.10 0.00 -0.77 0.00 0.00 57.85 55.89 1iox n ARG 42 Cb 0.46 -1.41 0.05 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.90 0.68 -3.49 0.00 2.13 -1.23 -2.20 120.64 113.64 1iox n GLU 44 Ca -0.16 0.02 -0.22 0.00 0.66 0.00 0.00 57.16 57.46 1iox n GLU 44 Cb 0.60 -1.54 -0.00 0.00 0.27 0.00 0.00 31.44 30.77 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1iox s ARG 45 N -2.50 2.45 -0.03 5.31 0.52 -0.61 -4.97 118.95 119.12 1iox s ARG 45 Ca -0.12 -1.65 -0.10 0.00 -0.52 0.00 0.00 55.73 53.35 1iox s ARG 45 Cb 0.06 -2.40 0.01 0.00 0.52 0.00 0.00 34.95 33.15 1iox s ARG 45 CO 0.81 -0.43 0.21 0.54 0.02 0.00 0.00 175.30 176.45 1iox s VAL 46 N -2.57 0.05 -0.52 3.52 0.11 -1.26 -1.64 120.40 118.09 1iox s VAL 46 Ca 0.48 -0.41 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1iox s VAL 46 Cb -0.04 -0.45 0.48 0.00 -1.53 0.00 0.00 36.38 34.84 1iox s VAL 46 CO 0.29 -0.22 1.75 -0.67 -3.33 0.00 0.00 175.10 172.92 1iox n ASP 47 N 1.90 6.14 -4.62 3.54 -0.08 -0.66 -4.80 116.55 117.98 1iox n ASP 47 Ca -0.19 -3.76 -0.35 0.00 -1.51 0.00 0.00 54.79 48.98 1iox n ASP 47 Cb 0.57 -0.77 -0.10 0.00 2.34 0.00 0.00 41.12 43.16 1iox n ASP 47 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1iox s LEU 48 N -3.67 3.78 -0.04 -2.67 2.96 -1.26 -4.96 118.68 112.81 1iox s LEU 48 Ca 0.59 0.06 -0.22 0.00 -0.22 0.00 0.00 54.13 54.34 1iox s LEU 48 Cb 0.47 -1.96 -0.30 0.00 0.50 0.00 0.00 46.19 44.90 1iox s LEU 48 CO 0.01 0.16 0.92 -0.26 -1.32 0.00 0.00 176.35 175.87 1iox h PHE 49 N 6.80 0.53 -0.01 5.38 -1.00 -1.97 -3.54 116.94 123.13 1iox h PHE 49 Ca -0.37 -0.37 0.00 0.00 2.81 0.00 0.00 57.97 60.04 1iox h PHE 49 Cb 1.17 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.70 1iox h PHE 49 CO 0.57 1.27 0.00 0.66 -1.61 0.00 0.00 178.31 179.20