#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 6.49 -3.57 5.56 4.81 -1.26 -5.05 118.16 125.14 1iox n LYS 2 Ca 0.00 -0.02 -0.12 0.00 -0.87 0.00 0.00 58.31 57.30 1iox n LYS 2 Cb 0.00 -0.55 -0.06 0.00 0.02 0.00 0.00 35.03 34.45 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 -1.02 -0.32 -0.45 3.14 0.00 -1.26 -5.13 107.32 102.29 1iox s GLY 3 Ca 0.00 1.97 0.07 0.00 0.00 0.00 0.00 44.72 46.76 1iox s GLY 3 CO 0.03 1.13 0.64 -2.38 0.00 0.00 0.00 173.10 172.51 1iox s HIS 4 N -0.93 -1.54 0.00 1.90 -3.43 -1.26 -5.15 115.29 104.88 1iox s HIS 4 Ca -0.03 -0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 1iox s HIS 4 Cb -0.01 0.24 0.00 0.00 -1.43 0.00 0.00 32.58 31.38 1iox s HIS 4 CO 0.02 -1.19 0.00 1.19 -2.00 0.00 0.00 174.74 172.76 1iox n PHE 5 N 3.86 0.00 -3.87 0.38 3.72 -1.26 -4.89 117.46 115.40 1iox n PHE 5 Ca 0.14 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.38 1iox n PHE 5 Cb 0.56 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.58 0.25 -0.17 4.37 0.01 -1.20 -5.01 113.70 111.36 1iox s SER 6 Ca 0.00 -0.00 -0.23 0.00 1.31 0.00 0.00 55.95 57.03 1iox s SER 6 Cb 0.00 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 1iox s SER 6 CO 0.00 -0.10 0.72 -0.60 0.41 0.00 0.00 173.24 173.68 1iox s ARG 7 N 0.91 4.27 -0.14 12.44 3.52 -1.26 -2.08 118.95 136.61 1iox s ARG 7 Ca -0.08 0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 56.04 1iox s ARG 7 Cb -0.12 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.69 1iox s ARG 7 CO -0.02 -0.24 1.36 0.00 -0.81 0.00 0.00 175.30 175.59 1iox s PRO 9 N 3.66 -1.11 0.32 0.00 0.04 -1.26 -4.63 135.00 132.02 1iox s PRO 9 Ca 0.59 -0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.51 1iox s PRO 9 Cb -0.24 -1.62 0.55 0.00 0.04 0.00 0.00 34.50 33.23 1iox s PRO 9 CO 0.18 -3.62 1.83 0.87 0.04 0.00 0.00 177.00 176.30 1iox h LYS 10 N -2.51 0.51 0.00 4.56 1.57 -1.94 -0.53 116.57 118.22 1iox h LYS 10 Ca -0.44 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1iox h LYS 10 Cb 1.28 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1iox h LYS 10 CO 0.32 0.59 0.04 1.96 -0.57 0.00 0.00 179.45 181.79 1iox h GLN 11 N 0.48 0.00 -0.00 3.15 4.20 -2.02 -1.28 115.11 119.63 1iox h GLN 11 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1iox h GLN 11 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1iox h GLN 11 CO 0.02 0.00 -0.01 0.66 -0.67 0.00 0.00 178.83 178.83 1iox n TYR 12 N -2.97 0.00 -1.55 2.96 4.01 -0.75 -4.73 117.16 114.13 1iox n TYR 12 Ca -0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 1iox n TYR 12 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 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 0.03 2.77 0.06 -0.72 4.81 -0.28 -4.42 118.16 120.41 1iox n LYS 13 Ca 0.01 -2.48 0.12 0.00 -0.87 0.00 0.00 58.31 55.10 1iox n LYS 13 Cb 0.06 -2.22 0.25 0.00 0.02 0.00 0.00 35.03 33.14 1iox n LYS 13 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1iox n HIS 14 N 1.11 0.54 1.30 5.64 8.25 -1.26 -3.16 115.22 127.64 1iox n HIS 14 Ca 0.51 0.16 0.12 0.00 -0.26 0.00 0.00 57.72 58.25 1iox n HIS 14 Cb 0.51 -0.66 0.43 0.00 1.12 0.00 0.00 29.99 31.39 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 -2.04 0.13 -3.28 4.41 0.18 -1.26 -4.75 117.16 110.55 1iox n TYR 15 Ca 0.04 -0.07 0.03 0.00 1.88 0.00 0.00 57.90 59.78 1iox n TYR 15 Cb 0.42 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.36 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 5.43 0.00 -2.77 0.00 5.41 -0.88 -4.15 119.36 122.40 1iox n ILE 17 Ca -0.04 0.86 -0.43 0.00 1.00 0.00 0.00 62.75 64.14 1iox n ILE 17 Cb 0.50 -1.65 0.01 0.00 -0.71 0.00 0.00 39.64 37.79 1iox n ILE 17 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1iox n LYS 18 N -0.97 4.29 -3.50 0.38 2.85 -0.93 -4.93 118.16 115.34 1iox n LYS 18 Ca 0.00 -4.25 -0.16 0.00 -1.05 0.00 0.00 58.31 52.85 1iox n LYS 18 Cb 0.00 -2.63 -0.05 0.00 -0.65 0.00 0.00 35.03 31.70 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 -1.00 -0.58 -0.03 2.58 0.00 -1.26 -2.32 107.32 104.71 1iox s GLY 19 Ca 0.34 1.13 0.03 0.00 0.00 0.00 0.00 44.72 46.22 1iox s GLY 19 CO 0.07 0.76 -0.09 1.09 0.00 0.00 0.00 173.10 174.92 1iox s ARG 20 N -1.84 2.59 -0.05 2.90 3.03 0.15 -4.90 118.95 120.83 1iox s ARG 20 Ca -0.08 -0.66 0.04 0.00 2.03 0.00 0.00 55.73 57.06 1iox s ARG 20 Cb -0.00 -2.49 -0.00 0.00 -1.03 0.00 0.00 34.95 31.42 1iox s ARG 20 CO 0.04 0.63 -0.17 0.00 -1.13 0.00 0.00 175.30 174.67 1iox s ARG 22 N 0.13 3.86 -0.32 0.00 1.81 0.08 -2.15 118.95 122.36 1iox s ARG 22 Ca -0.06 -0.37 -0.11 0.00 -1.72 0.00 0.00 55.73 53.47 1iox s ARG 22 Cb -0.12 -3.55 -0.02 0.00 -0.45 0.00 0.00 34.95 30.81 1iox s ARG 22 CO 0.03 -0.18 0.20 0.12 -0.68 0.00 0.00 175.30 174.79 1iox s PHE 23 N 1.70 3.20 -0.17 -0.53 2.19 -0.88 -1.78 117.98 121.71 1iox s PHE 23 Ca 0.07 -0.31 -0.20 0.00 0.33 0.00 0.00 56.93 56.82 1iox s PHE 23 Cb -0.16 -2.41 -0.03 0.00 -1.31 0.00 0.00 43.02 39.11 1iox s PHE 23 CO 0.09 -0.37 0.56 0.08 1.83 0.00 0.00 175.22 177.41 1iox s VAL 24 N 1.68 5.09 -0.05 3.12 1.01 -1.00 -3.24 120.40 127.01 1iox s VAL 24 Ca 0.06 1.08 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 1iox s VAL 24 Cb -0.17 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 1iox s VAL 24 CO 0.09 0.19 0.03 0.58 0.00 0.00 0.00 175.10 175.99 1iox h VAL 25 N 5.02 0.00 -0.92 2.92 2.07 -1.91 -2.47 116.25 120.97 1iox h VAL 25 Ca -0.35 -0.52 0.19 0.00 0.82 0.00 0.00 66.70 66.83 1iox h VAL 25 Cb 1.16 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.76 1iox h VAL 25 CO 0.76 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 178.13 1iox h ALA 26 N -1.47 0.63 -2.11 1.67 0.00 -1.94 -0.75 119.26 115.30 1iox h ALA 26 Ca -0.00 0.36 -0.75 0.00 0.00 0.00 0.00 54.91 54.51 1iox h ALA 26 Cb 0.01 0.69 -0.32 0.00 0.00 0.00 0.00 17.79 18.17 1iox h ALA 26 CO 0.00 -0.40 0.37 -1.91 0.00 0.00 0.00 179.25 177.32 1iox n GLU 27 N -5.58 3.82 -0.75 0.00 0.00 -1.26 -4.99 120.64 111.89 1iox n GLU 27 Ca 0.14 -4.57 -0.12 0.00 0.00 0.00 0.00 57.16 52.62 1iox n GLU 27 Cb 0.47 -2.45 -0.11 0.00 0.00 0.00 0.00 31.44 29.35 1iox n GLU 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1iox n GLN 28 N 1.39 0.00 -3.37 5.31 3.00 -0.29 -4.56 117.38 118.87 1iox n GLN 28 Ca 0.26 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.14 1iox n GLN 28 Cb 0.36 -0.52 -0.08 0.00 0.00 0.00 0.00 30.24 30.00 1iox n GLN 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1iox s THR 29 N 0.30 -0.54 -0.96 5.09 -1.32 -0.95 -4.99 115.64 112.27 1iox s THR 29 Ca 0.66 -0.21 -0.24 0.00 -1.21 0.00 0.00 61.69 60.70 1iox s THR 29 Cb -0.44 -0.87 0.04 0.00 -1.51 0.00 0.00 72.50 69.72 1iox s THR 29 CO 0.28 -0.24 1.48 -2.16 -2.21 0.00 0.00 174.62 171.77 1iox s PRO 30 N 2.48 3.42 -0.61 7.08 0.04 -1.26 -2.37 135.00 143.78 1iox s PRO 30 Ca 0.11 -0.88 -0.22 0.00 0.04 0.00 0.00 61.00 60.05 1iox s PRO 30 Cb -0.14 -5.14 0.07 0.00 0.04 0.00 0.00 34.50 29.32 1iox s PRO 30 CO -0.22 -2.32 0.86 -1.54 0.04 0.00 0.00 177.00 173.82 1iox s SER 31 N 5.14 6.21 -0.07 6.66 1.04 -0.73 -4.98 113.70 126.96 1iox s SER 31 Ca 0.47 -0.98 -0.20 0.00 0.48 0.00 0.00 55.95 55.73 1iox s SER 31 Cb -0.02 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 1iox s SER 31 CO -0.05 -1.26 0.55 0.00 0.98 0.00 0.00 173.24 173.46 1iox s VAL 33 N 0.39 0.95 0.26 0.00 1.01 -0.09 -4.95 120.40 117.97 1iox s VAL 33 Ca 0.30 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1iox s VAL 33 Cb -0.16 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1iox s VAL 33 CO 0.14 0.29 0.32 0.00 0.00 0.00 0.00 175.10 175.85 1iox n ASP 35 N -1.36 3.00 -0.34 0.00 8.00 -0.98 -4.78 116.55 120.08 1iox n ASP 35 Ca -0.07 0.65 0.30 0.00 0.71 0.00 0.00 54.79 56.39 1iox n ASP 35 Cb 0.58 -1.37 0.57 0.00 -0.02 0.00 0.00 41.12 40.87 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 11.30 0.10 -1.85 -1.24 4.81 -1.95 0.46 114.58 126.22 1iox h GLU 36 Ca -0.41 -0.01 -0.44 0.00 -0.13 0.00 0.00 59.36 58.38 1iox h GLU 36 Cb 1.28 -0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.48 1iox h GLU 36 CO 0.97 0.07 0.37 0.41 -0.73 0.00 0.00 179.01 180.10 1iox n GLY 37 N -1.30 4.25 3.51 1.92 0.00 -1.26 -4.90 105.19 107.40 1iox n GLY 37 Ca 0.36 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 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 1.95 -0.01 1.61 1.13 0.16 -1.68 117.35 118.83 1iox s TYR 38 Ca 0.51 -1.02 -0.13 0.00 -1.41 0.00 0.00 57.07 55.02 1iox s TYR 38 Cb 0.34 -1.31 0.02 0.00 -1.10 0.00 0.00 41.96 39.91 1iox s TYR 38 CO -0.15 -0.02 0.26 0.42 -2.51 0.00 0.00 175.55 173.55 1iox s ILE 39 N -3.20 0.06 0.00 -3.49 1.01 -0.73 -4.60 121.20 110.25 1iox s ILE 39 Ca 0.30 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1iox s ILE 39 Cb 0.07 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1iox s ILE 39 CO 0.14 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1iox n GLY 40 N 1.39 2.94 0.13 6.18 0.00 -1.26 -1.05 105.19 113.51 1iox n GLY 40 Ca -0.22 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.07 -0.43 4.61 0.00 -2.00 -3.29 119.26 118.08 1iox h ALA 41 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1iox h ALA 41 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1iox h ALA 41 CO 0.00 0.55 0.00 0.54 0.00 0.00 0.00 179.25 180.34 1iox n ARG 42 N -3.97 2.90 -3.33 0.00 5.12 -1.26 -4.89 116.66 111.22 1iox n ARG 42 Ca -0.17 -1.92 -0.19 0.00 -1.93 0.00 0.00 57.85 53.64 1iox n ARG 42 Cb 0.92 -1.71 0.06 0.00 -1.16 0.00 0.00 32.46 30.57 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iox n GLU 44 N -3.99 0.64 -3.74 0.00 2.13 -1.25 -2.19 120.64 112.23 1iox n GLU 44 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1iox n GLU 44 Cb 0.55 -1.66 -0.01 0.00 0.27 0.00 0.00 31.44 30.58 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 -3.23 3.28 0.06 5.31 0.52 -0.21 -5.01 118.95 119.68 1iox s ARG 45 Ca -0.05 -0.89 0.04 0.00 -0.52 0.00 0.00 55.73 54.31 1iox s ARG 45 Cb 0.11 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 1iox s ARG 45 CO 0.85 0.26 -0.11 0.54 0.02 0.00 0.00 175.30 176.86 1iox s VAL 46 N -2.07 0.84 -0.35 3.52 0.11 -1.26 -1.77 120.40 119.42 1iox s VAL 46 Ca 0.39 -1.28 0.01 0.00 -2.93 0.00 0.00 61.98 58.17 1iox s VAL 46 Cb -0.09 -0.94 0.38 0.00 -1.53 0.00 0.00 36.38 34.20 1iox s VAL 46 CO 0.30 -0.36 1.76 -0.67 -3.33 0.00 0.00 175.10 172.80 1iox n ASP 47 N 1.21 4.79 -4.21 3.54 2.03 -0.68 -4.68 116.55 118.55 1iox n ASP 47 Ca -0.21 -3.15 -0.12 0.00 0.52 0.00 0.00 54.79 51.83 1iox n ASP 47 Cb 0.55 -0.84 -0.10 0.00 -0.72 0.00 0.00 41.12 40.01 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 -2.28 1.47 -0.10 -2.67 1.43 -1.26 -4.97 118.68 110.30 1iox s LEU 48 Ca 0.39 -1.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.10 1iox s LEU 48 Cb 0.32 0.26 -0.02 0.00 0.03 0.00 0.00 46.19 46.78 1iox s LEU 48 CO 0.04 -0.77 -0.12 0.33 0.23 0.00 0.00 176.35 176.06 1iox n PHE 49 N -0.26 0.67 1.72 0.29 -0.00 -1.26 -5.21 117.46 113.41 1iox n PHE 49 Ca -0.01 0.29 0.15 0.00 -0.00 0.00 0.00 57.45 57.88 1iox n PHE 49 Cb 0.65 -0.62 0.71 0.00 -0.00 0.00 0.00 39.48 40.22 1iox n PHE 49 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74