#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iox s LYS 2 N 0.00 0.66 0.00 5.56 2.20 -1.26 -5.08 119.74 121.82 1iox s LYS 2 Ca 0.00 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 1iox s LYS 2 Cb 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1iox s LYS 2 CO 0.00 -0.13 0.97 0.41 -0.36 0.00 0.00 175.35 176.24 1iox n GLY 3 N 3.69 -2.84 1.87 5.54 0.00 -1.26 -4.91 105.19 107.29 1iox n GLY 3 Ca -0.18 0.31 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.40 -0.76 -1.62 1.61 -0.00 -1.26 -5.04 115.22 105.75 1iox n HIS 4 Ca 0.00 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.49 1iox n HIS 4 Cb 0.00 -2.86 0.00 0.00 -0.12 0.00 0.00 29.99 27.01 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 -2.28 0.00 -3.77 1.57 3.72 -1.26 -5.01 117.46 110.43 1iox n PHE 5 Ca -0.07 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.20 1iox n PHE 5 Cb 0.55 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 1.11 -0.16 0.16 4.37 0.01 -1.25 -5.03 113.70 112.92 1iox s SER 6 Ca 0.00 0.36 -0.03 0.00 1.31 0.00 0.00 55.95 57.59 1iox s SER 6 Cb 0.00 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 1iox s SER 6 CO 0.00 -0.12 0.37 0.00 0.41 0.00 0.00 173.24 173.90 1iox s ARG 7 N 0.82 3.56 -0.04 12.44 1.70 -1.26 -1.38 118.95 134.79 1iox s ARG 7 Ca -0.06 -0.22 -0.19 0.00 -0.47 0.00 0.00 55.73 54.79 1iox s ARG 7 Cb -0.08 -2.85 -0.05 0.00 -0.57 0.00 0.00 34.95 31.40 1iox s ARG 7 CO -0.04 0.44 0.54 0.00 -1.08 0.00 0.00 175.30 175.16 1iox s PRO 9 N -0.04 2.55 0.39 0.00 0.04 -1.26 -4.68 135.00 131.99 1iox s PRO 9 Ca 0.29 0.89 0.10 0.00 0.04 0.00 0.00 61.00 62.32 1iox s PRO 9 Cb -0.17 -1.95 0.80 0.00 0.04 0.00 0.00 34.50 33.22 1iox s PRO 9 CO 0.15 -1.36 1.91 0.87 0.04 0.00 0.00 177.00 178.61 1iox h LYS 10 N -0.91 0.18 0.00 4.56 1.57 -1.97 -1.41 116.57 118.59 1iox h LYS 10 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1iox h LYS 10 Cb 1.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1iox h LYS 10 CO 0.57 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.80 1iox n GLN 11 N -4.26 0.08 0.00 3.15 10.64 -1.26 -1.84 117.38 123.89 1iox n GLN 11 Ca -0.01 0.47 0.00 0.00 -1.83 0.00 0.00 57.00 55.63 1iox n GLN 11 Cb 0.28 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 27.97 1iox n GLN 11 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1iox n TYR 12 N -1.85 0.00 -1.72 2.61 4.01 -0.61 -4.80 117.16 114.80 1iox n TYR 12 Ca 0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.35 1iox n TYR 12 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.31 3.84 0.15 -0.72 5.02 -0.76 -4.50 118.16 120.87 1iox n LYS 13 Ca 0.00 -2.82 0.12 0.00 -2.02 0.00 0.00 58.31 53.59 1iox n LYS 13 Cb 0.01 -2.84 0.09 0.00 -0.02 0.00 0.00 35.03 32.27 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 5.12 0.00 -0.01 2.13 3.86 -1.87 -3.15 115.15 121.23 1iox h HIS 14 Ca 0.72 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.93 1iox h HIS 14 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1iox h HIS 14 CO 1.66 0.00 -0.15 2.48 0.86 0.00 0.00 177.93 182.77 1iox n TYR 15 N -2.80 0.00 -3.15 2.45 0.18 -1.26 -4.74 117.16 107.84 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 0.53 -0.07 -0.01 0.00 -0.38 0.00 0.00 39.34 39.42 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 5.95 0.00 -1.14 0.00 1.08 -1.57 -3.37 117.51 118.47 1iox h ILE 17 Ca -0.16 -0.69 -0.68 0.00 -0.39 0.00 0.00 64.86 62.95 1iox h ILE 17 Cb 1.17 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.78 1iox h ILE 17 CO 0.21 0.00 1.87 0.29 -0.69 0.00 0.00 178.15 179.82 1iox n LYS 18 N -4.11 4.03 -3.50 2.37 4.01 -0.15 -4.88 118.16 115.94 1iox n LYS 18 Ca -0.01 -3.18 -0.16 0.00 -0.51 0.00 0.00 58.31 54.45 1iox n LYS 18 Cb 0.03 -2.50 -0.05 0.00 -0.51 0.00 0.00 35.03 32.00 1iox n LYS 18 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1iox s GLY 19 N 0.36 -0.59 -0.23 0.72 0.00 -1.26 -1.88 107.32 104.44 1iox s GLY 19 Ca 0.55 1.11 -0.06 0.00 0.00 0.00 0.00 44.72 46.33 1iox s GLY 19 CO -0.13 0.76 0.02 -1.60 0.00 0.00 0.00 173.10 172.15 1iox s ARG 20 N -1.84 3.55 -0.21 2.90 3.52 0.66 -4.86 118.95 122.69 1iox s ARG 20 Ca -0.08 -0.54 -0.10 0.00 -0.13 0.00 0.00 55.73 54.88 1iox s ARG 20 Cb -0.00 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.17 1iox s ARG 20 CO 0.04 -0.15 0.14 0.00 -0.81 0.00 0.00 175.30 174.52 1iox s ARG 22 N 0.54 2.95 -0.51 0.00 3.52 0.32 -1.45 118.95 124.32 1iox s ARG 22 Ca 0.08 -1.05 -0.19 0.00 -0.13 0.00 0.00 55.73 54.45 1iox s ARG 22 Cb -0.12 -3.96 0.07 0.00 -1.56 0.00 0.00 34.95 29.38 1iox s ARG 22 CO -0.00 -0.76 0.61 0.12 -0.81 0.00 0.00 175.30 174.45 1iox s PHE 23 N 1.66 3.07 -0.21 5.12 2.19 -0.48 -1.86 117.98 127.47 1iox s PHE 23 Ca 0.05 -0.64 -0.28 0.00 0.33 0.00 0.00 56.93 56.38 1iox s PHE 23 Cb -0.19 -3.56 0.00 0.00 -1.31 0.00 0.00 43.02 37.96 1iox s PHE 23 CO 0.09 -1.04 1.01 0.08 1.83 0.00 0.00 175.22 177.19 1iox s VAL 24 N 2.52 4.72 0.00 3.12 1.01 -0.97 -3.81 120.40 126.99 1iox s VAL 24 Ca 0.13 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.08 1iox s VAL 24 Cb -0.20 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1iox s VAL 24 CO 0.11 -0.13 0.15 0.52 0.00 0.00 0.00 175.10 175.74 1iox n VAL 25 N 5.18 0.00 -0.32 2.92 0.31 -1.26 -2.21 118.33 122.94 1iox n VAL 25 Ca 0.11 0.57 0.11 0.00 -0.01 0.00 0.00 64.34 65.11 1iox n VAL 25 Cb 0.47 -1.41 0.23 0.00 -0.91 0.00 0.00 33.84 32.22 1iox n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iox h ALA 26 N -2.00 0.98 -2.84 3.52 0.00 -1.97 -2.44 119.26 114.52 1iox h ALA 26 Ca 0.00 0.32 -0.72 0.00 0.00 0.00 0.00 54.91 54.51 1iox h ALA 26 Cb 0.00 0.57 -0.34 0.00 0.00 0.00 0.00 17.79 18.02 1iox h ALA 26 CO 0.00 -0.50 -0.03 -2.00 0.00 0.00 0.00 179.25 176.72 1iox s GLU 27 N -6.08 3.36 -0.69 0.00 2.12 -1.26 -5.00 118.70 111.16 1iox s GLU 27 Ca -0.13 -3.16 -0.09 0.00 0.36 0.00 0.00 54.97 51.95 1iox s GLU 27 Cb 0.27 -4.05 -0.22 0.00 0.26 0.00 0.00 34.13 30.39 1iox s GLU 27 CO 0.77 -1.25 1.55 0.94 -0.54 0.00 0.00 175.26 176.73 1iox n GLN 28 N 2.57 0.00 -3.31 4.30 -0.06 -0.92 -4.42 117.38 115.55 1iox n GLN 28 Ca 0.20 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 54.97 1iox n GLN 28 Cb 0.38 -0.75 -0.08 0.00 -4.06 0.00 0.00 30.24 25.72 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 1.14 0.04 -1.17 1.69 2.01 -0.94 -4.94 115.64 113.47 1iox s THR 29 Ca 0.92 -2.09 -0.20 0.00 0.31 0.00 0.00 61.69 60.62 1iox s THR 29 Cb -0.64 -0.98 0.05 0.00 0.01 0.00 0.00 72.50 70.94 1iox s THR 29 CO 0.38 -0.95 1.63 -2.16 -0.69 0.00 0.00 174.62 172.83 1iox s PRO 30 N 0.48 3.73 0.22 4.92 0.04 -1.26 -2.29 135.00 140.84 1iox s PRO 30 Ca 0.29 -1.55 -0.06 0.00 0.04 0.00 0.00 61.00 59.71 1iox s PRO 30 Cb -0.03 -5.44 -0.06 0.00 0.04 0.00 0.00 34.50 29.01 1iox s PRO 30 CO -0.13 -2.33 0.49 -1.12 0.04 0.00 0.00 177.00 173.95 1iox s SER 31 N 4.73 6.52 -0.08 6.66 0.01 -0.77 -4.93 113.70 125.83 1iox s SER 31 Ca 0.51 0.73 0.02 0.00 1.31 0.00 0.00 55.95 58.53 1iox s SER 31 Cb 0.02 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 64.11 1iox s SER 31 CO 0.00 -0.07 -0.13 0.00 0.41 0.00 0.00 173.24 173.45 1iox s VAL 33 N 0.83 2.74 0.03 0.00 1.01 -0.54 -4.95 120.40 119.52 1iox s VAL 33 Ca -0.11 -1.44 0.07 0.00 0.00 0.00 0.00 61.98 60.50 1iox s VAL 33 Cb -0.15 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1iox s VAL 33 CO 0.02 0.17 -0.19 0.00 0.00 0.00 0.00 175.10 175.10 1iox n ASP 35 N 1.65 3.58 -0.37 0.00 9.92 -0.79 -4.80 116.55 125.74 1iox n ASP 35 Ca -0.16 0.90 0.28 0.00 -0.53 0.00 0.00 54.79 55.27 1iox n ASP 35 Cb 0.52 -1.41 0.54 0.00 -0.64 0.00 0.00 41.12 40.13 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 9.99 0.25 -1.75 -1.24 4.11 -1.97 0.38 114.58 124.35 1iox h GLU 36 Ca -0.48 -0.02 -0.41 0.00 0.07 0.00 0.00 59.36 58.52 1iox h GLU 36 Cb 1.26 -0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.30 1iox h GLU 36 CO 0.95 0.17 0.40 0.41 0.07 0.00 0.00 179.01 181.00 1iox n GLY 37 N -1.40 4.24 3.56 1.06 0.00 -1.26 -4.90 105.19 106.49 1iox n GLY 37 Ca 0.32 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.75 2.12 0.07 1.61 1.13 0.13 -1.97 117.35 118.70 1iox s TYR 38 Ca 0.46 -0.90 -0.13 0.00 -1.41 0.00 0.00 57.07 55.10 1iox s TYR 38 Cb 0.32 -1.49 0.02 0.00 -1.10 0.00 0.00 41.96 39.70 1iox s TYR 38 CO -0.11 0.16 0.30 0.42 -2.51 0.00 0.00 175.55 173.81 1iox s ILE 39 N -3.02 0.10 0.00 -3.49 1.01 -0.80 -4.43 121.20 110.57 1iox s ILE 39 Ca 0.30 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1iox s ILE 39 Cb 0.07 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1iox s ILE 39 CO 0.14 -0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.26 1iox n GLY 40 N 0.21 2.58 0.17 6.18 0.00 -1.26 -0.83 105.19 112.25 1iox n GLY 40 Ca -0.17 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 43.84 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 0.14 -0.32 4.61 0.00 -2.00 -3.14 119.26 118.54 1iox h ALA 41 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1iox h ALA 41 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1iox h ALA 41 CO 0.00 0.51 0.00 0.54 0.00 0.00 0.00 179.25 180.30 1iox n ARG 42 N -4.06 1.84 -3.01 0.00 3.00 -1.26 -4.90 116.66 108.26 1iox n ARG 42 Ca -0.10 -1.29 -0.12 0.00 -0.01 0.00 0.00 57.85 56.33 1iox n ARG 42 Cb 0.75 -1.32 0.05 0.00 0.00 0.00 0.00 32.46 31.93 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iox n GLU 44 N -2.95 0.69 -2.78 0.00 2.13 -1.22 -0.98 120.64 115.53 1iox n GLU 44 Ca -0.05 -0.14 -0.20 0.00 0.66 0.00 0.00 57.16 57.43 1iox n GLU 44 Cb 0.55 -1.47 0.03 0.00 0.27 0.00 0.00 31.44 30.82 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 -3.17 2.66 0.11 5.31 1.81 -0.01 -4.99 118.95 120.67 1iox s ARG 45 Ca -0.08 -0.92 0.05 0.00 -1.72 0.00 0.00 55.73 53.07 1iox s ARG 45 Cb 0.11 -2.58 -0.04 0.00 -0.45 0.00 0.00 34.95 31.99 1iox s ARG 45 CO 0.81 -0.54 -0.14 0.54 -0.68 0.00 0.00 175.30 175.29 1iox s VAL 46 N -2.61 1.24 0.00 3.52 0.11 -1.26 -1.90 120.40 119.50 1iox s VAL 46 Ca 0.56 -1.63 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 1iox s VAL 46 Cb -0.10 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 1iox s VAL 46 CO 0.37 -0.40 0.00 -0.67 -3.33 0.00 0.00 175.10 171.07 1iox n ASP 47 N 0.68 0.00 -0.43 3.54 2.03 -0.83 -4.58 116.55 116.96 1iox n ASP 47 Ca -0.17 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.26 1iox n ASP 47 Cb 0.56 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.16 1iox n ASP 47 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1iox n LEU 48 N -0.45 1.67 -0.17 -2.67 7.94 -1.25 -4.00 117.00 118.08 1iox n LEU 48 Ca 0.00 -0.56 0.06 0.00 -1.11 0.00 0.00 56.01 54.40 1iox n LEU 48 Cb 0.00 -0.05 0.29 0.00 0.53 0.00 0.00 43.42 44.19 1iox n LEU 48 CO 0.00 0.30 0.70 0.33 -1.11 0.00 0.00 177.39 177.61 1iox n PHE 49 N -0.14 0.09 0.00 1.96 -0.00 -1.26 -5.14 117.46 112.97 1iox n PHE 49 Ca 0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 1iox n PHE 49 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.90 1iox n PHE 49 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74