#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 0.85 -0.94 5.56 5.02 -1.26 -4.15 118.16 123.24 1iox n LYS 2 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1iox n LYS 2 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 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 6.05 -4.18 2.26 0.72 0.00 -1.26 -4.98 105.19 103.79 1iox n GLY 3 Ca 0.40 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1iox n GLY 3 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1iox n HIS 4 N 0.38 0.56 0.00 1.61 -0.00 -1.26 -5.07 115.22 111.45 1iox n HIS 4 Ca 0.00 -3.71 0.00 0.00 0.46 0.00 0.00 57.72 54.47 1iox n HIS 4 Cb 0.00 -0.40 0.00 0.00 -0.12 0.00 0.00 29.99 29.47 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1iox n PHE 5 N 1.12 0.00 -3.87 1.57 3.72 -1.26 -5.00 117.46 113.74 1iox n PHE 5 Ca 0.23 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.47 1iox n PHE 5 Cb 0.52 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.90 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 1.15 0.39 0.17 4.37 0.01 -1.20 -4.99 113.70 113.60 1iox s SER 6 Ca 0.00 -0.01 -0.21 0.00 1.31 0.00 0.00 55.95 57.04 1iox s SER 6 Cb 0.00 -0.18 -0.08 0.00 0.21 0.00 0.00 66.02 65.97 1iox s SER 6 CO 0.00 -0.12 0.70 -0.60 0.41 0.00 0.00 173.24 173.64 1iox s ARG 7 N 1.11 4.33 -0.05 12.44 3.00 -1.26 -1.56 118.95 136.96 1iox s ARG 7 Ca -0.09 0.92 -0.30 0.00 -1.00 0.00 0.00 55.73 55.27 1iox s ARG 7 Cb -0.13 -3.08 -0.02 0.00 0.00 0.00 0.00 34.95 31.71 1iox s ARG 7 CO -0.02 0.51 1.05 0.00 0.00 0.00 0.00 175.30 176.84 1iox s PRO 9 N 1.71 3.89 0.52 0.00 0.04 -1.26 -4.72 135.00 135.18 1iox s PRO 9 Ca 0.52 1.47 0.18 0.00 0.04 0.00 0.00 61.00 63.20 1iox s PRO 9 Cb -0.21 -2.27 1.30 0.00 0.04 0.00 0.00 34.50 33.36 1iox s PRO 9 CO 0.22 -0.37 2.12 -0.22 0.04 0.00 0.00 177.00 178.79 1iox h LYS 10 N 1.90 0.00 -0.38 4.56 3.64 -1.95 -1.02 116.57 123.31 1iox h LYS 10 Ca -0.49 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1iox h LYS 10 Cb 1.22 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1iox h LYS 10 CO 0.60 0.00 0.17 1.96 -2.27 0.00 0.00 179.45 179.91 1iox h GLN 11 N 0.00 0.53 -0.50 1.90 4.20 -2.00 -1.89 115.11 117.35 1iox h GLN 11 Ca 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1iox h GLN 11 Cb 0.20 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1iox h GLN 11 CO -0.00 0.43 0.00 0.66 -0.67 0.00 0.00 178.83 179.25 1iox n TYR 12 N -4.40 0.66 -1.76 2.96 4.01 -0.46 -4.65 117.16 113.52 1iox n TYR 12 Ca 0.03 -0.35 -0.40 0.00 -0.16 0.00 0.00 57.90 57.01 1iox n TYR 12 Cb 0.13 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 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 1.45 4.16 0.14 -0.72 5.02 -0.71 -4.50 118.16 123.01 1iox n LYS 13 Ca 0.20 -2.98 0.12 0.00 -2.02 0.00 0.00 58.31 53.63 1iox n LYS 13 Cb 0.59 -2.73 0.10 0.00 -0.02 0.00 0.00 35.03 32.97 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 4.86 0.00 -0.01 2.13 3.86 -1.82 -3.15 115.15 121.01 1iox h HIS 14 Ca 0.74 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.95 1iox h HIS 14 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1iox h HIS 14 CO 1.68 0.00 -0.10 2.48 0.86 0.00 0.00 177.93 182.85 1iox n TYR 15 N -2.74 0.00 -3.15 2.45 0.18 -1.26 -4.74 117.16 107.90 1iox n TYR 15 Ca 0.02 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.84 1iox n TYR 15 Cb 0.52 -0.05 -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 5.98 0.00 -0.95 0.00 1.08 -1.58 -3.37 117.51 118.66 1iox h ILE 17 Ca -0.15 -0.58 -0.47 0.00 -0.39 0.00 0.00 64.86 63.27 1iox h ILE 17 Cb 1.17 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.75 1iox h ILE 17 CO 0.21 0.00 0.33 1.17 -0.69 0.00 0.00 178.15 179.18 1iox n LYS 18 N -3.62 2.34 -3.98 2.37 4.81 -0.36 -4.89 118.16 114.83 1iox n LYS 18 Ca -0.01 -2.20 -0.11 0.00 -0.87 0.00 0.00 58.31 55.12 1iox n LYS 18 Cb 0.02 -2.11 -0.03 0.00 0.02 0.00 0.00 35.03 32.94 1iox n LYS 18 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1iox s GLY 19 N 0.47 0.88 0.21 3.14 0.00 -1.26 -1.92 107.32 108.84 1iox s GLY 19 Ca 0.58 -1.10 0.10 0.00 0.00 0.00 0.00 44.72 44.30 1iox s GLY 19 CO -0.20 -0.69 -0.19 0.50 0.00 0.00 0.00 173.10 172.53 1iox s ARG 20 N -3.17 1.43 -0.06 2.90 0.52 -0.21 -4.88 118.95 115.48 1iox s ARG 20 Ca 0.24 -1.56 -0.03 0.00 -0.52 0.00 0.00 55.73 53.86 1iox s ARG 20 Cb -0.02 -1.50 0.04 0.00 0.52 0.00 0.00 34.95 33.99 1iox s ARG 20 CO 0.14 0.29 0.10 0.00 0.02 0.00 0.00 175.30 175.86 1iox s ARG 22 N 2.22 3.12 -0.49 0.00 0.52 0.94 -1.31 118.95 123.95 1iox s ARG 22 Ca 0.04 -0.74 -0.17 0.00 -0.52 0.00 0.00 55.73 54.34 1iox s ARG 22 Cb -0.12 -3.98 0.06 0.00 0.52 0.00 0.00 34.95 31.43 1iox s ARG 22 CO -0.04 -0.91 0.52 0.12 0.02 0.00 0.00 175.30 175.01 1iox s PHE 23 N 2.25 3.14 -0.36 -0.53 2.19 -0.60 -1.63 117.98 122.44 1iox s PHE 23 Ca 0.13 -0.70 -0.25 0.00 0.33 0.00 0.00 56.93 56.44 1iox s PHE 23 Cb -0.17 -3.35 0.01 0.00 -1.31 0.00 0.00 43.02 38.20 1iox s PHE 23 CO 0.14 -0.92 0.90 0.08 1.83 0.00 0.00 175.22 177.26 1iox s VAL 24 N 2.18 4.61 -0.04 3.12 1.01 -0.97 -3.21 120.40 127.10 1iox s VAL 24 Ca 0.10 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 1iox s VAL 24 Cb -0.21 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 1iox s VAL 24 CO 0.10 -0.50 0.57 0.58 0.00 0.00 0.00 175.10 175.85 1iox h VAL 25 N 5.79 0.05 -0.32 2.92 2.07 -1.94 -2.60 116.25 122.22 1iox h VAL 25 Ca -0.23 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.65 1iox h VAL 25 Cb 1.08 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1iox h VAL 25 CO 0.97 0.01 -0.24 0.00 0.02 0.00 0.00 177.57 178.33 1iox h ALA 26 N -1.08 -0.34 -2.29 1.67 0.00 -1.95 -3.10 119.26 112.16 1iox h ALA 26 Ca -0.05 0.03 -0.74 0.00 0.00 0.00 0.00 54.91 54.15 1iox h ALA 26 Cb 0.38 1.05 -0.22 0.00 0.00 0.00 0.00 17.79 19.00 1iox h ALA 26 CO 0.08 -0.50 0.29 -2.00 0.00 0.00 0.00 179.25 177.12 1iox s GLU 27 N -4.08 3.42 -0.73 0.00 2.56 -1.26 -4.95 118.70 113.66 1iox s GLU 27 Ca -0.05 -1.92 -0.09 0.00 0.00 0.00 0.00 54.97 52.90 1iox s GLU 27 Cb 0.04 -4.52 -0.24 0.00 2.00 0.00 0.00 34.13 31.42 1iox s GLU 27 CO 0.26 -1.49 1.64 1.04 -0.56 0.00 0.00 175.26 176.14 1iox n GLN 28 N 5.39 0.00 -3.16 4.30 3.00 -1.17 -4.57 117.38 121.17 1iox n GLN 28 Ca 0.09 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 1iox n GLN 28 Cb 0.46 -0.79 -0.06 0.00 0.00 0.00 0.00 30.24 29.85 1iox n GLN 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1iox n THR 29 N 4.25 -0.76 -2.54 5.09 -1.04 -0.98 -4.99 114.28 113.30 1iox n THR 29 Ca 0.50 -2.63 -0.41 0.00 -2.04 0.00 0.00 64.05 59.47 1iox n THR 29 Cb 0.09 -0.72 -0.02 0.00 -1.82 0.00 0.00 70.33 67.86 1iox n THR 29 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1iox s PRO 30 N 0.26 3.68 -0.05 -2.82 0.04 -1.26 -2.30 135.00 132.54 1iox s PRO 30 Ca 0.32 -1.42 -0.19 0.00 0.04 0.00 0.00 61.00 59.75 1iox s PRO 30 Cb 0.04 -5.41 -0.05 0.00 0.04 0.00 0.00 34.50 29.12 1iox s PRO 30 CO -0.15 -2.31 0.53 0.45 0.04 0.00 0.00 177.00 175.56 1iox s SER 31 N 4.84 6.84 -0.30 6.66 0.15 -0.64 -4.95 113.70 126.30 1iox s SER 31 Ca 0.50 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1iox s SER 31 Cb 0.01 -2.32 0.09 0.00 -1.71 0.00 0.00 66.02 62.10 1iox s SER 31 CO -0.02 0.08 0.07 0.00 1.20 0.00 0.00 173.24 174.57 1iox s VAL 33 N 1.48 3.45 0.33 0.00 1.01 0.24 -4.95 120.40 121.96 1iox s VAL 33 Ca 0.08 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 60.92 1iox s VAL 33 Cb -0.18 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1iox s VAL 33 CO -0.19 -0.12 0.09 0.00 0.00 0.00 0.00 175.10 174.88 1iox s ASP 35 N -3.79 6.36 0.33 0.00 1.01 -0.81 -4.79 116.67 114.98 1iox s ASP 35 Ca 0.36 2.17 0.11 0.00 0.71 0.00 0.00 52.55 55.90 1iox s ASP 35 Cb -0.02 -2.53 0.99 0.00 1.01 0.00 0.00 42.92 42.37 1iox s ASP 35 CO 0.21 -1.19 1.65 -0.08 0.21 0.00 0.00 175.17 175.97 1iox h GLU 36 N 10.92 0.25 -1.82 8.23 4.57 -1.97 0.34 114.58 135.10 1iox h GLU 36 Ca -0.41 -0.02 -0.40 0.00 -1.18 0.00 0.00 59.36 57.35 1iox h GLU 36 Cb 1.20 -0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 29.58 1iox h GLU 36 CO 0.96 0.17 0.33 0.41 -1.18 0.00 0.00 179.01 179.70 1iox n GLY 37 N -1.32 4.11 3.59 1.92 0.00 -1.26 -4.89 105.19 107.34 1iox n GLY 37 Ca 0.29 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.49 1.93 0.02 1.61 1.13 0.12 -1.77 117.35 118.90 1iox s TYR 38 Ca 0.48 -1.05 -0.10 0.00 -1.41 0.00 0.00 57.07 54.99 1iox s TYR 38 Cb 0.32 -1.39 0.01 0.00 -1.10 0.00 0.00 41.96 39.79 1iox s TYR 38 CO -0.12 0.01 0.19 0.42 -2.51 0.00 0.00 175.55 173.54 1iox s ILE 39 N -3.06 0.09 0.00 -3.49 1.01 -0.72 -4.68 121.20 110.35 1iox s ILE 39 Ca 0.22 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1iox s ILE 39 Cb 0.04 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1iox s ILE 39 CO 0.11 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.25 1iox n GLY 40 N 1.08 2.62 0.07 6.18 0.00 -1.26 -0.93 105.19 112.95 1iox n GLY 40 Ca -0.21 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.00 -0.34 4.61 0.00 -2.00 -3.28 119.26 118.25 1iox h ALA 41 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1iox h ALA 41 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1iox h ALA 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1iox n ARG 42 N -4.60 2.53 -2.87 0.00 5.12 -1.26 -4.89 116.66 110.70 1iox n ARG 42 Ca -0.10 -1.52 -0.10 0.00 -1.93 0.00 0.00 57.85 54.19 1iox n ARG 42 Cb 0.48 -1.64 0.05 0.00 -1.16 0.00 0.00 32.46 30.20 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 -2.91 2.13 -4.37 0.00 -0.58 -1.22 -1.22 120.64 112.47 1iox n GLU 44 Ca -0.17 -1.86 -0.19 0.00 -0.42 0.00 0.00 57.16 54.52 1iox n GLU 44 Cb 0.60 -1.43 -0.10 0.00 -0.57 0.00 0.00 31.44 29.94 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1iox s ARG 45 N -1.85 1.40 0.14 3.49 0.52 -0.11 -5.02 118.95 117.52 1iox s ARG 45 Ca 0.27 -1.69 0.05 0.00 -0.52 0.00 0.00 55.73 53.83 1iox s ARG 45 Cb 0.19 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.71 1iox s ARG 45 CO 0.28 0.01 -0.12 0.54 0.02 0.00 0.00 175.30 176.04 1iox s VAL 46 N -3.18 1.22 -0.82 3.52 0.11 -1.26 -1.75 120.40 118.24 1iox s VAL 46 Ca 0.27 -1.90 -0.01 0.00 -2.93 0.00 0.00 61.98 57.41 1iox s VAL 46 Cb 0.04 -1.68 0.36 0.00 -1.53 0.00 0.00 36.38 33.56 1iox s VAL 46 CO 0.09 -0.61 1.91 -0.67 -3.33 0.00 0.00 175.10 172.50 1iox n ASP 47 N 0.13 7.21 0.00 3.54 -0.08 -0.73 -4.39 116.55 122.23 1iox n ASP 47 Ca -0.13 -3.82 0.00 0.00 -1.51 0.00 0.00 54.79 49.34 1iox n ASP 47 Cb 0.59 -1.01 0.00 0.00 2.34 0.00 0.00 41.12 43.04 1iox n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1iox n LEU 48 N -0.50 0.00 0.18 -2.67 4.77 -1.26 -4.84 117.00 112.68 1iox n LEU 48 Ca 0.52 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.54 1iox n LEU 48 Cb 0.28 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.81 1iox n LEU 48 CO 0.49 0.00 0.88 -0.26 -1.33 0.00 0.00 177.39 177.17 1iox h PHE 49 N 0.00 0.10 -0.01 -1.77 -1.00 -2.00 -3.56 116.94 108.69 1iox h PHE 49 Ca 0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1iox h PHE 49 Cb 0.00 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.53 1iox h PHE 49 CO 0.00 0.28 0.00 0.66 -1.61 0.00 0.00 178.31 177.64