#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 -2.17 -3.15 5.56 5.02 -1.26 -5.02 118.16 117.14 1iox n LYS 2 Ca 0.00 1.94 0.04 0.00 -2.02 0.00 0.00 58.31 58.28 1iox n LYS 2 Cb 0.00 -3.63 -0.00 0.00 -0.02 0.00 0.00 35.03 31.37 1iox n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1iox s GLY 3 N -1.47 -1.19 -0.41 0.72 0.00 -1.26 -5.06 107.32 98.66 1iox s GLY 3 Ca 0.04 1.28 0.10 0.00 0.00 0.00 0.00 44.72 46.13 1iox s GLY 3 CO 0.50 3.68 0.97 -2.39 0.00 0.00 0.00 173.10 175.86 1iox n HIS 4 N 5.40 -1.29 0.00 1.90 1.44 -1.26 -5.11 115.22 116.30 1iox n HIS 4 Ca 0.04 -2.86 0.00 0.00 -2.01 0.00 0.00 57.72 52.89 1iox n HIS 4 Cb 0.54 0.64 0.00 0.00 0.12 0.00 0.00 29.99 31.29 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 0.22 0.00 -3.75 -1.40 3.72 -1.26 -5.02 117.46 109.97 1iox n PHE 5 Ca 0.13 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.41 1iox n PHE 5 Cb 0.70 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.25 -0.29 -0.16 4.37 0.01 -1.22 -5.04 113.70 111.63 1iox s SER 6 Ca 0.00 0.55 -0.19 0.00 1.31 0.00 0.00 55.95 57.62 1iox s SER 6 Cb 0.00 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1iox s SER 6 CO 0.00 -0.13 0.53 -0.60 0.41 0.00 0.00 173.24 173.45 1iox s ARG 7 N 0.72 4.27 0.25 12.44 3.00 -1.26 -1.82 118.95 136.56 1iox s ARG 7 Ca -0.05 0.49 -0.30 0.00 -1.00 0.00 0.00 55.73 54.87 1iox s ARG 7 Cb -0.06 -3.51 -0.11 0.00 0.00 0.00 0.00 34.95 31.27 1iox s ARG 7 CO -0.05 -0.03 1.55 0.00 0.00 0.00 0.00 175.30 176.77 1iox s PRO 9 N -0.09 1.72 0.46 0.00 0.04 -1.26 -4.78 135.00 131.10 1iox s PRO 9 Ca 0.64 0.71 0.21 0.00 0.04 0.00 0.00 61.00 62.60 1iox s PRO 9 Cb -0.45 -1.87 1.13 0.00 0.04 0.00 0.00 34.50 33.34 1iox s PRO 9 CO 0.43 -1.89 1.96 -0.22 0.04 0.00 0.00 177.00 177.32 1iox h LYS 10 N -1.29 0.00 0.00 4.56 3.64 -1.96 -1.90 116.57 119.62 1iox h LYS 10 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1iox h LYS 10 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1iox h LYS 10 CO 0.57 0.21 0.00 1.04 -2.27 0.00 0.00 179.45 179.00 1iox n GLN 11 N -3.80 0.04 0.00 1.90 3.00 -1.26 -2.09 117.38 115.17 1iox n GLN 11 Ca -0.02 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1iox n GLN 11 Cb 0.31 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.05 1iox n GLN 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1iox n TYR 12 N -1.43 0.00 -1.25 1.08 4.01 -0.75 -4.81 117.16 114.00 1iox n TYR 12 Ca 0.03 -0.21 -0.23 0.00 -0.16 0.00 0.00 57.90 57.33 1iox n TYR 12 Cb 0.09 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.21 2.17 0.03 -0.72 5.02 -0.89 -4.35 118.16 119.22 1iox n LYS 13 Ca 0.00 -2.02 0.13 0.00 -2.02 0.00 0.00 58.31 54.39 1iox n LYS 13 Cb 0.31 -1.95 0.33 0.00 -0.02 0.00 0.00 35.03 33.69 1iox n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1iox n HIS 14 N 0.73 0.24 1.41 2.13 8.25 -1.26 -3.18 115.22 123.55 1iox n HIS 14 Ca 0.42 0.07 0.13 0.00 -0.26 0.00 0.00 57.72 58.08 1iox n HIS 14 Cb 0.58 -0.49 0.48 0.00 1.12 0.00 0.00 29.99 31.68 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 -1.74 0.05 -3.65 4.41 0.18 -1.26 -4.81 117.16 110.34 1iox n TYR 15 Ca 0.05 -0.02 -0.04 0.00 1.88 0.00 0.00 57.90 59.77 1iox n TYR 15 Cb 0.37 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.28 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 5.04 0.00 -2.74 0.00 5.41 -0.89 -4.41 119.36 121.76 1iox n ILE 17 Ca -0.15 0.41 -0.42 0.00 1.00 0.00 0.00 62.75 63.59 1iox n ILE 17 Cb 0.53 -0.90 0.01 0.00 -0.71 0.00 0.00 39.64 38.57 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 -1.02 4.87 -3.69 0.38 2.85 -0.85 -4.94 118.16 115.75 1iox n LYS 18 Ca 0.00 -4.47 -0.15 0.00 -1.05 0.00 0.00 58.31 52.64 1iox n LYS 18 Cb 0.00 -2.53 -0.08 0.00 -0.65 0.00 0.00 35.03 31.77 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 -1.31 -0.30 -0.17 2.58 0.00 -1.26 -2.40 107.32 104.47 1iox s GLY 19 Ca 0.36 0.75 -0.08 0.00 0.00 0.00 0.00 44.72 45.75 1iox s GLY 19 CO -0.01 0.50 0.10 0.50 0.00 0.00 0.00 173.10 174.19 1iox s ARG 20 N -1.03 3.87 -0.19 2.90 0.52 0.13 -4.89 118.95 120.26 1iox s ARG 20 Ca -0.11 -0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 54.79 1iox s ARG 20 Cb -0.04 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 1iox s ARG 20 CO 0.05 0.42 0.01 0.00 0.02 0.00 0.00 175.30 175.79 1iox s ARG 22 N 0.77 3.08 -0.34 0.00 3.00 0.86 -1.90 118.95 124.41 1iox s ARG 22 Ca 0.01 -0.96 -0.17 0.00 0.00 0.00 0.00 55.73 54.60 1iox s ARG 22 Cb -0.14 -4.06 -0.01 0.00 0.00 0.00 0.00 34.95 30.74 1iox s ARG 22 CO 0.02 -1.05 0.47 0.12 0.00 0.00 0.00 175.30 174.86 1iox s PHE 23 N 2.22 3.19 -0.25 -0.53 2.19 -0.75 -1.47 117.98 122.58 1iox s PHE 23 Ca 0.11 0.16 -0.19 0.00 0.33 0.00 0.00 56.93 57.35 1iox s PHE 23 Cb -0.20 -2.85 -0.03 0.00 -1.31 0.00 0.00 43.02 38.64 1iox s PHE 23 CO 0.11 -0.49 0.54 0.08 1.83 0.00 0.00 175.22 177.29 1iox s VAL 24 N 2.29 5.06 -0.05 3.12 1.01 -0.93 -3.43 120.40 127.47 1iox s VAL 24 Ca 0.17 0.95 -0.00 0.00 0.00 0.00 0.00 61.98 63.10 1iox s VAL 24 Cb -0.16 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1iox s VAL 24 CO 0.13 0.10 0.03 0.58 0.00 0.00 0.00 175.10 175.93 1iox h VAL 25 N 5.34 0.00 -1.16 2.92 2.07 -1.95 -2.56 116.25 120.91 1iox h VAL 25 Ca -0.30 -0.49 0.43 0.00 0.82 0.00 0.00 66.70 67.16 1iox h VAL 25 Cb 1.14 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.75 1iox h VAL 25 CO 0.73 0.00 0.69 0.00 0.02 0.00 0.00 177.57 179.01 1iox h ALA 26 N -1.50 2.42 -3.24 1.67 0.00 -1.98 -2.88 119.26 113.75 1iox h ALA 26 Ca -0.00 0.20 -0.63 0.00 0.00 0.00 0.00 54.91 54.48 1iox h ALA 26 Cb 0.01 0.27 -0.40 0.00 0.00 0.00 0.00 17.79 17.67 1iox h ALA 26 CO 0.00 -1.14 -0.69 -1.21 0.00 0.00 0.00 179.25 176.21 1iox s GLU 27 N -5.43 1.59 -0.81 0.00 8.01 -1.25 -5.03 118.70 115.77 1iox s GLU 27 Ca -0.08 -2.22 -0.10 0.00 0.01 0.00 0.00 54.97 52.57 1iox s GLU 27 Cb 0.32 -2.85 -0.26 0.00 -4.31 0.00 0.00 34.13 27.04 1iox s GLU 27 CO 0.80 -1.11 1.81 0.00 0.01 0.00 0.00 175.26 176.77 1iox n GLN 28 N 3.49 0.00 -3.26 1.61 0.00 -1.09 -4.44 117.38 113.69 1iox n GLN 28 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 57.00 56.86 1iox n GLN 28 Cb 0.34 -0.87 -0.07 0.00 0.00 0.00 0.00 30.24 29.64 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1iox s THR 29 N 1.11 -0.14 -1.05 -0.39 2.01 -0.97 -4.97 115.64 111.24 1iox s THR 29 Ca 1.07 -1.78 -0.22 0.00 0.31 0.00 0.00 61.69 61.07 1iox s THR 29 Cb -0.74 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 70.99 1iox s THR 29 CO 0.45 -0.79 1.55 -2.16 -0.69 0.00 0.00 174.62 172.98 1iox s PRO 30 N 0.68 3.52 0.17 4.92 0.04 -1.26 -2.19 135.00 140.88 1iox s PRO 30 Ca 0.27 -1.16 -0.15 0.00 0.04 0.00 0.00 61.00 60.00 1iox s PRO 30 Cb -0.04 -5.35 -0.07 0.00 0.04 0.00 0.00 34.50 29.07 1iox s PRO 30 CO -0.10 -2.37 0.58 0.45 0.04 0.00 0.00 177.00 175.60 1iox s SER 31 N 5.20 6.84 -0.27 6.66 0.15 -0.54 -4.93 113.70 126.81 1iox s SER 31 Ca 0.50 1.11 0.00 0.00 0.70 0.00 0.00 55.95 58.26 1iox s SER 31 Cb -0.00 -2.30 0.08 0.00 -1.71 0.00 0.00 66.02 62.08 1iox s SER 31 CO -0.06 0.07 0.02 0.00 1.20 0.00 0.00 173.24 174.47 1iox s VAL 33 N 1.46 4.32 0.36 0.00 1.01 -0.38 -4.95 120.40 122.22 1iox s VAL 33 Ca 0.02 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.12 1iox s VAL 33 Cb -0.18 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 1iox s VAL 33 CO -0.12 0.04 -0.06 0.00 0.00 0.00 0.00 175.10 174.95 1iox n ASP 35 N -0.85 2.95 -0.40 0.00 9.92 -1.01 -4.78 116.55 122.38 1iox n ASP 35 Ca -0.05 0.83 0.33 0.00 -0.53 0.00 0.00 54.79 55.38 1iox n ASP 35 Cb 0.64 -1.31 0.60 0.00 -0.64 0.00 0.00 41.12 40.42 1iox n ASP 35 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1iox h GLU 36 N 9.79 0.13 -1.81 -1.24 4.57 -1.97 0.43 114.58 124.49 1iox h GLU 36 Ca -0.43 -0.01 -0.44 0.00 -1.18 0.00 0.00 59.36 57.30 1iox h GLU 36 Cb 1.29 -0.03 -0.16 0.00 -0.16 0.00 0.00 28.75 29.69 1iox h GLU 36 CO 0.97 0.08 0.39 0.41 -1.18 0.00 0.00 179.01 179.69 1iox n GLY 37 N -1.44 4.28 3.46 1.92 0.00 -1.26 -4.91 105.19 107.24 1iox n GLY 37 Ca 0.36 -1.62 -0.23 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 -1.74 2.07 0.00 1.61 1.13 0.15 -1.79 117.35 118.78 1iox s TYR 38 Ca 0.50 -0.69 -0.14 0.00 -1.41 0.00 0.00 57.07 55.33 1iox s TYR 38 Cb 0.34 -1.22 0.02 0.00 -1.10 0.00 0.00 41.96 40.00 1iox s TYR 38 CO -0.14 0.31 0.30 0.42 -2.51 0.00 0.00 175.55 173.93 1iox s ILE 39 N -2.95 0.07 0.00 -3.49 1.01 -0.73 -4.76 121.20 110.34 1iox s ILE 39 Ca 0.31 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1iox s ILE 39 Cb 0.04 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.82 1iox s ILE 39 CO 0.13 -0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.39 1iox n GLY 40 N 1.10 3.04 0.18 6.18 0.00 -1.26 -1.17 105.19 113.26 1iox n GLY 40 Ca -0.21 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 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 0.67 -0.02 4.61 0.00 -2.00 -2.96 119.26 119.56 1iox h ALA 41 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1iox h ALA 41 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1iox h ALA 41 CO 0.00 0.75 -0.02 0.54 0.00 0.00 0.00 179.25 180.52 1iox n ARG 42 N -3.85 1.64 -2.90 0.00 1.74 -1.26 -4.92 116.66 107.11 1iox n ARG 42 Ca -0.04 -0.99 -0.12 0.00 -0.77 0.00 0.00 57.85 55.94 1iox n ARG 42 Cb 0.68 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.67 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 -2.65 0.58 -3.36 0.00 0.00 -1.25 -2.01 120.64 111.95 1iox n GLU 44 Ca -0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 57.16 56.80 1iox n GLU 44 Cb 0.54 -1.47 -0.00 0.00 0.00 0.00 0.00 31.44 30.51 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1iox s ARG 45 N -3.27 3.17 0.05 5.31 0.52 -0.32 -5.00 118.95 119.41 1iox s ARG 45 Ca -0.03 -0.75 -0.14 0.00 -0.52 0.00 0.00 55.73 54.28 1iox s ARG 45 Cb 0.14 -2.73 0.02 0.00 0.52 0.00 0.00 34.95 32.90 1iox s ARG 45 CO 0.84 -0.00 0.31 0.54 0.02 0.00 0.00 175.30 177.00 1iox s VAL 46 N -2.29 0.08 -0.68 3.52 0.11 -1.26 -1.77 120.40 118.11 1iox s VAL 46 Ca 0.44 -0.68 0.05 0.00 -2.93 0.00 0.00 61.98 58.86 1iox s VAL 46 Cb -0.10 -0.95 0.17 0.00 -1.53 0.00 0.00 36.38 33.97 1iox s VAL 46 CO 0.34 -0.37 0.48 -0.62 -3.33 0.00 0.00 175.10 171.59 1iox s ASP 47 N -2.10 4.58 -0.44 3.54 -1.08 -0.74 -4.80 116.67 115.64 1iox s ASP 47 Ca -0.05 -3.79 0.07 0.00 -0.52 0.00 0.00 52.55 48.26 1iox s ASP 47 Cb -0.01 -1.55 0.23 0.00 -1.46 0.00 0.00 42.92 40.13 1iox s ASP 47 CO -0.04 -0.09 0.64 -0.11 0.52 0.00 0.00 175.17 176.09 1iox n LEU 48 N 2.05 -1.25 -0.05 -1.34 0.00 -1.26 -4.86 117.00 110.28 1iox n LEU 48 Ca 0.20 -4.04 -0.14 0.00 0.00 0.00 0.00 56.01 52.03 1iox n LEU 48 Cb 0.36 0.71 -0.07 0.00 0.00 0.00 0.00 43.42 44.41 1iox n LEU 48 CO 0.26 2.01 0.52 -0.26 0.00 0.00 0.00 177.39 179.92 1iox h PHE 49 N 4.27 0.55 0.00 1.96 0.04 -2.00 -3.55 116.94 118.20 1iox h PHE 49 Ca 0.02 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1iox h PHE 49 Cb 0.95 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1iox h PHE 49 CO 0.21 0.89 0.00 2.48 -0.60 0.00 0.00 178.31 181.29