#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 -2.75 -2.11 5.56 4.81 -1.26 -4.97 118.16 117.44 1iox n LYS 2 Ca 0.00 -0.77 -0.28 0.00 -0.87 0.00 0.00 58.31 56.39 1iox n LYS 2 Cb 0.00 -1.14 0.05 0.00 0.02 0.00 0.00 35.03 33.96 1iox n LYS 2 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1iox s GLY 3 N -2.31 1.62 -0.48 3.14 0.00 -1.26 -5.05 107.32 102.98 1iox s GLY 3 Ca 0.35 -0.56 0.06 0.00 0.00 0.00 0.00 44.72 44.58 1iox s GLY 3 CO 0.30 -0.21 0.76 -2.39 0.00 0.00 0.00 173.10 171.56 1iox n HIS 4 N -2.86 -3.06 0.00 1.90 1.44 -1.26 -5.13 115.22 106.25 1iox n HIS 4 Ca 0.06 -1.90 0.00 0.00 -2.01 0.00 0.00 57.72 53.87 1iox n HIS 4 Cb 0.58 1.26 0.00 0.00 0.12 0.00 0.00 29.99 31.95 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 2.15 0.00 -3.88 -1.40 3.72 -1.26 -5.09 117.46 111.70 1iox n PHE 5 Ca 0.15 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.28 1iox n PHE 5 Cb 0.59 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.96 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 -0.08 2.35 -0.20 4.37 0.01 -1.23 -5.05 113.70 113.86 1iox s SER 6 Ca 0.00 -0.41 -0.28 0.00 1.31 0.00 0.00 55.95 56.57 1iox s SER 6 Cb 0.00 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.43 1iox s SER 6 CO 0.00 -0.16 0.98 -0.60 0.41 0.00 0.00 173.24 173.87 1iox s ARG 7 N 1.72 4.28 -0.02 12.44 3.52 -1.26 -1.92 118.95 137.71 1iox s ARG 7 Ca 0.03 1.26 -0.34 0.00 -0.13 0.00 0.00 55.73 56.55 1iox s ARG 7 Cb -0.14 -3.62 -0.13 0.00 -1.56 0.00 0.00 34.95 29.51 1iox s ARG 7 CO -0.08 -0.52 1.77 0.00 -0.81 0.00 0.00 175.30 175.66 1iox s PRO 9 N 3.03 2.12 0.58 0.00 0.04 -1.26 -4.75 135.00 134.76 1iox s PRO 9 Ca 0.89 0.91 0.28 0.00 0.04 0.00 0.00 61.00 63.11 1iox s PRO 9 Cb -0.71 -1.90 1.69 0.00 0.04 0.00 0.00 34.50 33.62 1iox s PRO 9 CO 0.48 -1.67 2.16 1.57 0.04 0.00 0.00 177.00 179.58 1iox h LYS 10 N -1.13 0.00 -0.52 4.56 5.09 -1.95 -1.15 116.57 121.46 1iox h LYS 10 Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.26 1iox h LYS 10 Cb 1.25 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.55 1iox h LYS 10 CO 0.55 0.00 0.25 0.37 -2.09 0.00 0.00 179.45 178.53 1iox h GLN 11 N 0.00 0.72 -0.62 0.07 4.15 -2.01 -2.22 115.11 115.20 1iox h GLN 11 Ca 0.05 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1iox h GLN 11 Cb 0.30 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1iox h GLN 11 CO -0.00 0.56 0.00 0.66 -1.93 0.00 0.00 178.83 178.12 1iox n TYR 12 N -4.38 0.83 -1.35 3.99 4.01 -0.48 -4.57 117.16 115.20 1iox n TYR 12 Ca 0.04 -0.49 -0.24 0.00 -0.16 0.00 0.00 57.90 57.05 1iox n TYR 12 Cb 0.12 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.10 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 1.34 2.27 0.11 -0.72 5.02 -0.83 -4.37 118.16 120.98 1iox n LYS 13 Ca 0.21 -2.15 0.12 0.00 -2.02 0.00 0.00 58.31 54.47 1iox n LYS 13 Cb 0.57 -2.04 0.16 0.00 -0.02 0.00 0.00 35.03 33.70 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 2.70 0.00 -0.02 2.13 3.86 -1.81 -3.16 115.15 118.86 1iox h HIS 14 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1iox h HIS 14 Cb 0.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1iox h HIS 14 CO 1.35 0.00 -0.02 2.48 0.86 0.00 0.00 177.93 182.61 1iox n TYR 15 N -2.49 0.00 -3.19 2.45 0.18 -1.26 -4.76 117.16 108.09 1iox n TYR 15 Ca 0.03 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.84 1iox n TYR 15 Cb 0.49 -0.01 -0.01 0.00 -0.38 0.00 0.00 39.34 39.43 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 5.99 0.00 -1.02 0.00 1.08 -1.44 -3.37 117.51 118.74 1iox h ILE 17 Ca -0.22 -0.38 -0.57 0.00 -0.39 0.00 0.00 64.86 63.30 1iox h ILE 17 Cb 1.16 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.76 1iox h ILE 17 CO 0.24 0.00 1.13 2.29 -0.69 0.00 0.00 178.15 181.12 1iox n LYS 18 N -3.06 3.18 -3.85 2.37 2.85 -0.97 -4.88 118.16 113.81 1iox n LYS 18 Ca -0.00 -2.67 -0.10 0.00 -1.05 0.00 0.00 58.31 54.49 1iox n LYS 18 Cb 0.02 -2.32 0.02 0.00 -0.65 0.00 0.00 35.03 32.10 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 0.48 0.62 0.30 2.58 0.00 -1.26 -1.97 107.32 108.07 1iox s GLY 19 Ca 0.58 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 44.39 1iox s GLY 19 CO -0.16 -0.45 0.11 1.09 0.00 0.00 0.00 173.10 173.68 1iox s ARG 20 N -2.22 1.56 -0.20 2.90 1.70 -0.27 -4.88 118.95 117.53 1iox s ARG 20 Ca 0.18 -1.87 -0.07 0.00 -0.47 0.00 0.00 55.73 53.50 1iox s ARG 20 Cb -0.04 -0.38 0.09 0.00 -0.57 0.00 0.00 34.95 34.05 1iox s ARG 20 CO 0.14 -0.33 0.42 0.00 -1.08 0.00 0.00 175.30 174.45 1iox s ARG 22 N 2.56 3.43 -0.44 0.00 3.52 0.10 -1.82 118.95 126.31 1iox s ARG 22 Ca -0.02 -0.16 -0.16 0.00 -0.13 0.00 0.00 55.73 55.25 1iox s ARG 22 Cb -0.12 -3.91 0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1iox s ARG 22 CO -0.13 -0.96 0.40 0.12 -0.81 0.00 0.00 175.30 173.91 1iox s PHE 23 N 2.93 3.20 -0.35 5.12 2.19 -0.81 -1.33 117.98 128.94 1iox s PHE 23 Ca 0.25 -0.63 -0.26 0.00 0.33 0.00 0.00 56.93 56.63 1iox s PHE 23 Cb -0.14 -2.94 0.01 0.00 -1.31 0.00 0.00 43.02 38.65 1iox s PHE 23 CO 0.19 -0.73 0.91 0.08 1.83 0.00 0.00 175.22 177.51 1iox s VAL 24 N 1.88 4.62 -0.10 3.12 1.01 -0.96 -3.53 120.40 126.45 1iox s VAL 24 Ca 0.07 1.25 -0.00 0.00 0.00 0.00 0.00 61.98 63.31 1iox s VAL 24 Cb -0.20 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 1iox s VAL 24 CO 0.10 -0.46 -0.00 0.58 0.00 0.00 0.00 175.10 175.31 1iox h VAL 25 N 5.76 0.00 -1.32 2.92 2.07 -1.95 -2.56 116.25 121.17 1iox h VAL 25 Ca -0.23 -0.96 0.42 0.00 0.82 0.00 0.00 66.70 66.75 1iox h VAL 25 Cb 1.08 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.73 1iox h VAL 25 CO 0.97 0.00 0.86 0.00 0.02 0.00 0.00 177.57 179.41 1iox h ALA 26 N -1.04 2.74 -3.22 1.67 0.00 -2.00 -3.06 119.26 114.36 1iox h ALA 26 Ca 0.00 0.10 -0.62 0.00 0.00 0.00 0.00 54.91 54.39 1iox h ALA 26 Cb 0.01 0.18 -0.40 0.00 0.00 0.00 0.00 17.79 17.59 1iox h ALA 26 CO 0.00 -1.34 -0.72 -2.00 0.00 0.00 0.00 179.25 175.18 1iox s GLU 27 N -5.29 1.25 -0.79 0.00 2.12 -1.25 -5.04 118.70 109.71 1iox s GLU 27 Ca -0.08 -1.80 -0.09 0.00 0.36 0.00 0.00 54.97 53.37 1iox s GLU 27 Cb 0.29 -2.54 -0.26 0.00 0.26 0.00 0.00 34.13 31.89 1iox s GLU 27 CO 0.82 -1.06 1.74 0.94 -0.54 0.00 0.00 175.26 177.16 1iox n GLN 28 N 4.00 0.00 -3.08 4.30 -0.06 -1.16 -4.49 117.38 116.89 1iox n GLN 28 Ca 0.04 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.89 1iox n GLN 28 Cb 0.38 -0.83 -0.05 0.00 -4.06 0.00 0.00 30.24 25.68 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1iox s THR 29 N 0.74 -0.34 -1.00 1.69 2.01 -0.97 -4.99 115.64 112.78 1iox s THR 29 Ca 1.04 -1.80 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 1iox s THR 29 Cb -0.70 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.21 1iox s THR 29 CO 0.44 -0.62 1.57 -2.16 -0.69 0.00 0.00 174.62 173.17 1iox s PRO 30 N 0.49 3.35 -0.19 4.92 0.04 -1.26 -2.26 135.00 140.09 1iox s PRO 30 Ca 0.31 -0.94 -0.19 0.00 0.04 0.00 0.00 61.00 60.23 1iox s PRO 30 Cb 0.02 -5.29 -0.03 0.00 0.04 0.00 0.00 34.50 29.23 1iox s PRO 30 CO -0.12 -2.49 0.53 -1.54 0.04 0.00 0.00 177.00 173.42 1iox s SER 31 N 5.68 6.61 -0.30 6.66 1.04 -0.44 -4.96 113.70 127.98 1iox s SER 31 Ca 0.52 0.73 -0.02 0.00 0.48 0.00 0.00 55.95 57.66 1iox s SER 31 Cb -0.01 -2.30 0.05 0.00 0.10 0.00 0.00 66.02 63.85 1iox s SER 31 CO -0.08 -0.17 -0.01 0.00 0.98 0.00 0.00 173.24 173.97 1iox s VAL 33 N 1.25 3.56 0.21 0.00 1.01 0.54 -4.95 120.40 122.03 1iox s VAL 33 Ca -0.05 -1.47 0.07 0.00 0.00 0.00 0.00 61.98 60.52 1iox s VAL 33 Cb -0.20 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1iox s VAL 33 CO -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 175.10 174.77 1iox n ASP 35 N -0.40 2.70 -0.28 0.00 9.92 -0.83 -4.83 116.55 122.83 1iox n ASP 35 Ca -0.07 1.08 0.08 0.00 -0.53 0.00 0.00 54.79 55.34 1iox n ASP 35 Cb 0.61 -1.33 0.23 0.00 -0.64 0.00 0.00 41.12 40.00 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 6.16 0.48 -1.64 -1.24 4.11 -1.98 0.80 114.58 121.26 1iox h GLU 36 Ca -0.46 -0.03 -0.34 0.00 0.07 0.00 0.00 59.36 58.60 1iox h GLU 36 Cb 1.28 -0.11 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 1iox h GLU 36 CO 0.87 0.31 0.38 0.41 0.07 0.00 0.00 179.01 181.06 1iox n GLY 37 N -1.33 4.07 3.75 1.06 0.00 -1.26 -4.90 105.19 106.58 1iox n GLY 37 Ca 0.17 -1.21 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.67 2.49 -0.16 1.61 1.13 0.27 -2.08 117.35 118.94 1iox s TYR 38 Ca 0.36 -0.63 -0.08 0.00 -1.41 0.00 0.00 57.07 55.32 1iox s TYR 38 Cb 0.26 -1.94 0.06 0.00 -1.10 0.00 0.00 41.96 39.25 1iox s TYR 38 CO -0.04 0.13 0.36 0.42 -2.51 0.00 0.00 175.55 173.91 1iox s ILE 39 N -2.63 -0.18 0.00 -3.49 1.01 -0.63 -4.61 121.20 110.68 1iox s ILE 39 Ca 0.39 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1iox s ILE 39 Cb 0.03 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.95 1iox s ILE 39 CO 0.21 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1iox n GLY 40 N 4.57 3.98 0.32 6.18 0.00 -1.26 -1.24 105.19 117.73 1iox n GLY 40 Ca -0.19 -1.42 -0.03 0.00 0.00 0.00 0.00 46.02 44.38 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 1.21 -0.64 4.61 0.00 -1.99 -2.18 119.26 120.27 1iox h ALA 41 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1iox h ALA 41 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1iox h ALA 41 CO 0.00 0.56 0.00 0.54 0.00 0.00 0.00 179.25 180.35 1iox n ARG 42 N -4.30 3.38 -3.24 0.00 1.74 -1.26 -4.92 116.66 108.06 1iox n ARG 42 Ca 0.05 -2.69 -0.15 0.00 -0.77 0.00 0.00 57.85 54.29 1iox n ARG 42 Cb 0.19 -1.80 0.07 0.00 -1.02 0.00 0.00 32.46 29.90 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 -3.31 1.84 -3.80 0.00 0.28 -1.24 -2.29 120.64 112.11 1iox n GLU 44 Ca -0.10 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.70 1iox n GLU 44 Cb 0.62 -1.31 -0.02 0.00 1.43 0.00 0.00 31.44 32.17 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1iox s ARG 45 N -2.30 3.39 0.07 3.44 0.52 -0.38 -4.99 118.95 118.71 1iox s ARG 45 Ca -0.08 -0.74 0.09 0.00 -0.52 0.00 0.00 55.73 54.48 1iox s ARG 45 Cb 0.04 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 1iox s ARG 45 CO 0.48 0.32 -0.23 0.54 0.02 0.00 0.00 175.30 176.44 1iox s VAL 46 N -2.06 1.89 -0.03 3.52 0.11 -1.26 -1.60 120.40 120.96 1iox s VAL 46 Ca 0.37 -1.41 -0.02 0.00 -2.93 0.00 0.00 61.98 57.98 1iox s VAL 46 Cb -0.09 -1.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.09 1iox s VAL 46 CO 0.30 0.17 -0.05 -0.67 -3.33 0.00 0.00 175.10 171.52 1iox n ASP 47 N 1.51 0.44 -4.09 3.54 2.03 -0.88 -4.79 116.55 114.30 1iox n ASP 47 Ca -0.18 0.33 -0.35 0.00 0.52 0.00 0.00 54.79 55.11 1iox n ASP 47 Cb 0.53 -0.59 -0.12 0.00 -0.72 0.00 0.00 41.12 40.22 1iox n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1iox s LEU 48 N -5.43 5.12 0.58 -2.67 1.43 -1.25 -4.94 118.68 111.52 1iox s LEU 48 Ca -0.04 -2.25 0.38 0.00 -1.03 0.00 0.00 54.13 51.20 1iox s LEU 48 Cb 0.01 -1.79 1.40 0.00 0.03 0.00 0.00 46.19 45.84 1iox s LEU 48 CO 0.06 -0.47 1.54 0.15 0.23 0.00 0.00 176.35 177.85 1iox h PHE 49 N 7.72 0.00 -0.01 0.29 3.04 -1.91 -3.50 116.94 122.57 1iox h PHE 49 Ca -0.09 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1iox h PHE 49 Cb 1.02 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.53 1iox h PHE 49 CO 0.56 0.00 0.00 0.98 -2.02 0.00 0.00 178.31 177.83