#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 1.70 -0.23 -0.14 4.81 -1.26 -4.91 118.16 118.14 1iox n LYS 2 Ca 0.00 -3.97 0.00 0.00 -0.87 0.00 0.00 58.31 53.47 1iox n LYS 2 Cb 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.28 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iox n GLY 3 N 0.89 0.63 2.71 3.14 0.00 -1.26 -5.10 105.19 106.20 1iox n GLY 3 Ca 0.26 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.14 -1.98 0.00 1.61 8.25 -1.26 -5.15 115.22 116.55 1iox n HIS 4 Ca 0.00 -0.98 0.00 0.00 -0.26 0.00 0.00 57.72 56.48 1iox n HIS 4 Cb 0.07 1.26 0.00 0.00 1.12 0.00 0.00 29.99 32.44 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 2.58 0.00 -4.00 4.41 3.72 -1.26 -4.94 117.46 117.97 1iox n PHE 5 Ca 0.13 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.25 1iox n PHE 5 Cb 0.62 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.99 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 2.34 -0.06 4.37 0.01 -1.22 -5.02 113.70 115.12 1iox s SER 6 Ca 0.00 -0.37 -0.25 0.00 1.31 0.00 0.00 55.95 56.64 1iox s SER 6 Cb 0.00 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 1iox s SER 6 CO 0.00 -0.08 0.77 -0.60 0.41 0.00 0.00 173.24 173.73 1iox s ARG 7 N 1.55 4.46 0.09 12.44 3.52 -1.26 -1.65 118.95 138.10 1iox s ARG 7 Ca 0.03 1.01 -0.30 0.00 -0.13 0.00 0.00 55.73 56.34 1iox s ARG 7 Cb -0.13 -3.46 -0.06 0.00 -1.56 0.00 0.00 34.95 29.75 1iox s ARG 7 CO -0.08 0.02 1.09 0.00 -0.81 0.00 0.00 175.30 175.52 1iox s PRO 9 N 0.50 2.73 0.40 0.00 0.04 -1.26 -4.67 135.00 132.73 1iox s PRO 9 Ca 0.53 0.99 0.12 0.00 0.04 0.00 0.00 61.00 62.68 1iox s PRO 9 Cb -0.27 -1.96 0.82 0.00 0.04 0.00 0.00 34.50 33.13 1iox s PRO 9 CO 0.31 -1.26 1.90 0.87 0.04 0.00 0.00 177.00 178.85 1iox h LYS 10 N -0.84 0.07 0.00 4.56 1.57 -1.95 -1.76 116.57 118.23 1iox h LYS 10 Ca -0.44 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1iox h LYS 10 Cb 1.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1iox h LYS 10 CO 0.56 0.32 0.00 1.96 -0.57 0.00 0.00 179.45 181.72 1iox h GLN 11 N 0.07 0.00 -0.00 3.15 1.08 -2.01 -2.10 115.11 115.29 1iox h GLN 11 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1iox h GLN 11 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1iox h GLN 11 CO 0.03 0.00 -0.02 0.66 -0.95 0.00 0.00 178.83 178.55 1iox n TYR 12 N -2.37 0.00 -2.10 2.96 4.01 -0.72 -4.80 117.16 114.14 1iox n TYR 12 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1iox n TYR 12 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.05 3.75 0.12 -0.72 5.02 -0.79 -4.58 118.16 121.00 1iox n LYS 13 Ca 0.02 -3.29 0.12 0.00 -2.02 0.00 0.00 58.31 53.14 1iox n LYS 13 Cb 0.10 -2.90 0.15 0.00 -0.02 0.00 0.00 35.03 32.36 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 5.46 0.00 -0.12 2.13 3.86 -1.87 -3.16 115.15 121.45 1iox h HIS 14 Ca 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.73 1iox h HIS 14 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1iox h HIS 14 CO 1.41 0.00 0.00 2.48 0.86 0.00 0.00 177.93 182.68 1iox n TYR 15 N -2.53 0.15 -3.18 2.45 0.18 -1.26 -4.65 117.16 108.31 1iox n TYR 15 Ca 0.03 -0.07 0.03 0.00 1.88 0.00 0.00 57.90 59.76 1iox n TYR 15 Cb 0.49 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.45 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 4.95 0.00 -2.20 0.00 2.08 -0.87 -3.61 119.36 119.72 1iox n ILE 17 Ca 0.08 0.87 -0.42 0.00 0.56 0.00 0.00 62.75 63.84 1iox n ILE 17 Cb 0.55 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.69 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 -0.45 4.03 -3.68 0.38 2.85 -0.81 -4.90 118.16 115.57 1iox n LYS 18 Ca 0.00 -3.51 -0.12 0.00 -1.05 0.00 0.00 58.31 53.62 1iox n LYS 18 Cb 0.00 -2.80 -0.06 0.00 -0.65 0.00 0.00 35.03 31.52 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 0.60 -0.25 -0.09 2.58 0.00 -1.24 -2.15 107.32 106.78 1iox s GLY 19 Ca 0.45 0.25 -0.01 0.00 0.00 0.00 0.00 44.72 45.42 1iox s GLY 19 CO -0.03 0.00 -0.05 1.09 0.00 0.00 0.00 173.10 174.11 1iox s ARG 20 N -2.52 3.01 -0.13 2.90 1.70 0.14 -4.89 118.95 119.17 1iox s ARG 20 Ca -0.05 -0.52 0.01 0.00 -0.47 0.00 0.00 55.73 54.70 1iox s ARG 20 Cb -0.01 -2.70 0.02 0.00 -0.57 0.00 0.00 34.95 31.69 1iox s ARG 20 CO -0.03 0.57 -0.15 0.00 -1.08 0.00 0.00 175.30 174.61 1iox s ARG 22 N 1.16 3.07 -0.42 0.00 6.06 0.06 -1.84 118.95 127.05 1iox s ARG 22 Ca -0.02 -0.86 -0.18 0.00 -2.50 0.00 0.00 55.73 52.17 1iox s ARG 22 Cb -0.14 -3.96 0.02 0.00 0.06 0.00 0.00 34.95 30.93 1iox s ARG 22 CO -0.05 -0.77 0.48 0.12 -2.50 0.00 0.00 175.30 172.57 1iox s PHE 23 N 1.90 3.15 -0.26 5.12 2.19 -0.66 -1.90 117.98 127.53 1iox s PHE 23 Ca 0.08 -0.29 -0.29 0.00 0.33 0.00 0.00 56.93 56.76 1iox s PHE 23 Cb -0.18 -2.97 0.01 0.00 -1.31 0.00 0.00 43.02 38.57 1iox s PHE 23 CO 0.12 -0.72 1.06 0.08 1.83 0.00 0.00 175.22 177.58 1iox s VAL 24 N 2.27 4.62 -0.04 3.12 1.01 -0.94 -3.38 120.40 127.05 1iox s VAL 24 Ca 0.14 1.93 -0.00 0.00 0.00 0.00 0.00 61.98 64.05 1iox s VAL 24 Cb -0.16 -4.34 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 1iox s VAL 24 CO 0.15 -0.27 0.02 0.58 0.00 0.00 0.00 175.10 175.57 1iox h VAL 25 N 5.54 0.00 -0.94 2.92 2.07 -1.95 -2.57 116.25 121.32 1iox h VAL 25 Ca -0.20 -0.44 0.25 0.00 0.82 0.00 0.00 66.70 67.13 1iox h VAL 25 Cb 1.06 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.66 1iox h VAL 25 CO 1.00 0.00 0.03 0.00 0.02 0.00 0.00 177.57 178.61 1iox h ALA 26 N -1.55 1.08 -3.22 1.67 0.00 -1.98 -2.91 119.26 112.35 1iox h ALA 26 Ca -0.00 0.32 -0.68 0.00 0.00 0.00 0.00 54.91 54.55 1iox h ALA 26 Cb 0.01 0.55 -0.37 0.00 0.00 0.00 0.00 17.79 17.98 1iox h ALA 26 CO 0.00 -0.53 -0.43 -1.21 0.00 0.00 0.00 179.25 177.09 1iox s GLU 27 N -6.03 2.44 -0.72 0.00 2.02 -1.26 -5.01 118.70 110.14 1iox s GLU 27 Ca -0.13 -2.60 -0.09 0.00 0.02 0.00 0.00 54.97 52.16 1iox s GLU 27 Cb 0.28 -3.63 -0.23 0.00 0.10 0.00 0.00 34.13 30.65 1iox s GLU 27 CO 0.77 -1.16 1.62 0.94 0.02 0.00 0.00 175.26 177.45 1iox n GLN 28 N 3.31 0.00 -3.23 1.61 -0.06 -1.10 -4.50 117.38 113.41 1iox n GLN 28 Ca 0.08 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.89 1iox n GLN 28 Cb 0.36 -0.79 -0.07 0.00 -4.06 0.00 0.00 30.24 25.69 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 1.15 -0.19 -0.67 1.69 2.01 -0.97 -4.97 115.64 113.69 1iox s THR 29 Ca 0.96 -1.76 -0.27 0.00 0.31 0.00 0.00 61.69 60.93 1iox s THR 29 Cb -0.67 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.09 1iox s THR 29 CO 0.40 -0.75 1.39 -2.16 -0.69 0.00 0.00 174.62 172.82 1iox s PRO 30 N 0.66 3.14 -0.26 4.92 0.04 -1.26 -2.22 135.00 140.03 1iox s PRO 30 Ca 0.27 0.07 -0.07 0.00 0.04 0.00 0.00 61.00 61.31 1iox s PRO 30 Cb -0.03 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.30 1iox s PRO 30 CO -0.11 -2.17 0.07 -1.12 0.04 0.00 0.00 177.00 173.71 1iox s SER 31 N 4.53 5.09 0.06 6.66 0.01 -0.80 -4.99 113.70 124.26 1iox s SER 31 Ca 0.44 -0.34 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 1iox s SER 31 Cb -0.09 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.19 1iox s SER 31 CO 0.19 -0.07 0.26 0.00 0.41 0.00 0.00 173.24 174.02 1iox s VAL 33 N -1.48 0.09 0.29 0.00 1.01 0.49 -4.95 120.40 115.86 1iox s VAL 33 Ca 0.34 -0.72 0.11 0.00 0.00 0.00 0.00 61.98 61.71 1iox s VAL 33 Cb -0.13 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1iox s VAL 33 CO 0.23 -0.39 -0.16 0.00 0.00 0.00 0.00 175.10 174.78 1iox n ASP 35 N -0.65 3.62 -0.27 0.00 8.00 -0.91 -4.84 116.55 121.49 1iox n ASP 35 Ca -0.05 1.04 0.08 0.00 0.71 0.00 0.00 54.79 56.56 1iox n ASP 35 Cb 0.61 -1.49 0.22 0.00 -0.02 0.00 0.00 41.12 40.44 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 7.20 0.41 -1.69 -1.24 4.22 -1.98 0.85 114.58 122.35 1iox h GLU 36 Ca -0.45 -0.02 -0.39 0.00 0.08 0.00 0.00 59.36 58.57 1iox h GLU 36 Cb 1.23 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.24 1iox h GLU 36 CO 0.93 0.27 0.40 0.41 -2.18 0.00 0.00 179.01 178.84 1iox n GLY 37 N -1.33 4.20 3.73 1.92 0.00 -1.26 -4.91 105.19 107.54 1iox n GLY 37 Ca 0.17 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.76 2.53 0.25 1.61 1.13 0.29 -2.09 117.35 119.32 1iox s TYR 38 Ca 0.42 -0.62 -0.10 0.00 -1.41 0.00 0.00 57.07 55.36 1iox s TYR 38 Cb 0.30 -1.92 -0.01 0.00 -1.10 0.00 0.00 41.96 39.23 1iox s TYR 38 CO -0.08 0.20 0.44 0.42 -2.51 0.00 0.00 175.55 174.02 1iox s ILE 39 N -2.63 0.00 0.00 -3.49 1.01 -0.71 -4.74 121.20 110.64 1iox s ILE 39 Ca 0.39 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1iox s ILE 39 Cb 0.04 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.21 1iox s ILE 39 CO 0.21 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1iox n GLY 40 N -0.39 1.22 0.13 6.18 0.00 -1.26 -1.28 105.19 109.80 1iox n GLY 40 Ca -0.01 -1.96 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 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 0.20 -0.51 4.61 0.00 -2.00 -3.34 119.26 118.22 1iox h ALA 41 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 54.91 53.71 1iox h ALA 41 Cb 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1iox h ALA 41 CO 0.00 0.97 0.06 0.54 0.00 0.00 0.00 179.25 180.82 1iox n ARG 42 N -3.73 4.02 -2.50 0.00 1.74 -1.26 -4.88 116.66 110.04 1iox n ARG 42 Ca -0.26 -2.60 -0.17 0.00 -0.77 0.00 0.00 57.85 54.05 1iox n ARG 42 Cb 0.99 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.54 -3.41 0.00 1.02 -1.24 -1.93 120.64 112.76 1iox n GLU 44 Ca -0.16 0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.83 1iox n GLU 44 Cb 0.63 -1.73 -0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 -3.35 3.18 0.02 3.49 3.00 -0.40 -5.00 118.95 119.89 1iox s ARG 45 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 55.73 54.82 1iox s ARG 45 Cb 0.11 -2.75 0.01 0.00 0.00 0.00 0.00 34.95 32.32 1iox s ARG 45 CO 0.80 0.04 0.24 0.54 0.00 0.00 0.00 175.30 176.92 1iox s VAL 46 N -2.25 0.08 -1.02 3.52 0.11 -1.26 -1.73 120.40 117.84 1iox s VAL 46 Ca 0.44 -0.68 -0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1iox s VAL 46 Cb -0.10 -0.73 0.32 0.00 -1.53 0.00 0.00 36.38 34.35 1iox s VAL 46 CO 0.33 -0.37 1.79 -0.67 -3.33 0.00 0.00 175.10 172.84 1iox n ASP 47 N 1.00 7.24 -4.04 3.54 2.03 -0.89 -4.80 116.55 120.64 1iox n ASP 47 Ca -0.20 -3.67 -0.15 0.00 0.52 0.00 0.00 54.79 51.28 1iox n ASP 47 Cb 0.57 -1.17 -0.13 0.00 -0.72 0.00 0.00 41.12 39.68 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 -4.21 2.15 -0.20 -2.67 1.02 -1.26 -5.00 118.68 108.51 1iox s LEU 48 Ca 0.39 -0.36 0.03 0.00 0.02 0.00 0.00 54.13 54.21 1iox s LEU 48 Cb 0.18 -0.27 0.34 0.00 0.02 0.00 0.00 46.19 46.46 1iox s LEU 48 CO -0.11 -0.06 1.37 0.49 0.02 0.00 0.00 176.35 178.06 1iox n PHE 49 N 2.10 1.39 0.00 0.29 3.72 -1.26 -5.26 117.46 118.44 1iox n PHE 49 Ca -0.18 -0.98 0.00 0.00 -0.05 0.00 0.00 57.45 56.24 1iox n PHE 49 Cb 0.56 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1iox n PHE 49 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19