#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iw4 n HIS 2 N 0.00 1.47 0.00 0.00 -0.00 -1.24 -2.99 115.22 112.46 1iw4 n HIS 2 Ca 0.00 -1.72 0.00 0.00 -0.00 0.00 0.00 57.72 56.00 1iw4 n HIS 2 Cb 0.00 -1.57 0.00 0.00 -0.00 0.00 0.00 29.99 28.42 1iw4 n HIS 2 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1iw4 n MET 3 N 5.89 0.00 -0.95 -0.41 2.81 -1.26 -4.81 117.12 118.38 1iw4 n MET 3 Ca 0.44 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.97 1iw4 n MET 3 Cb 0.28 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.84 1iw4 n MET 3 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1iw4 n ASP 4 N -0.11 -4.28 -0.76 7.83 2.03 -1.26 -4.90 116.55 115.10 1iw4 n ASP 4 Ca 0.00 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1iw4 n ASP 4 Cb 0.00 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iw4 n THR 6 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -4.83 114.28 107.15 1iw4 n THR 6 Ca 0.00 0.60 0.00 0.00 -2.04 0.00 0.00 64.05 62.61 1iw4 n THR 6 Cb 0.00 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 1iw4 n THR 6 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1iw4 n GLU 7 N -0.17 0.00 0.00 -2.82 2.13 -1.26 -4.96 120.64 113.56 1iw4 n GLU 7 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1iw4 n GLU 7 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1iw4 n PHE 8 N 0.00 0.00 0.03 4.31 3.72 -1.26 -5.06 117.46 119.20 1iw4 n PHE 8 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1iw4 n PHE 8 Cb 0.00 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.45 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1iw4 h ASN 9 N 0.00 -0.09 -0.44 4.37 4.21 -2.05 -3.34 115.58 118.23 1iw4 h ASN 9 Ca 0.00 -0.37 -0.37 0.00 1.21 0.00 0.00 56.30 56.77 1iw4 h ASN 9 Cb 0.00 0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.19 1iw4 h ASN 9 CO 0.00 0.34 1.22 -0.81 -1.29 0.00 0.00 177.43 176.89 1iw4 n PRO 10 N -4.94 1.67 0.00 0.81 -0.04 -1.26 -4.92 135.00 126.33 1iw4 n PRO 10 Ca -0.08 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 1iw4 n PRO 10 Cb 0.24 -3.66 0.00 0.00 -0.04 0.00 0.00 33.50 30.03 1iw4 n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1iw4 n LEU 11 N 13.61 0.00 0.00 1.53 4.77 -1.26 -3.91 117.00 131.75 1iw4 n LEU 11 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1iw4 n LEU 11 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1iw4 n LEU 11 CO 0.71 -0.73 0.00 0.00 -1.33 0.00 0.00 177.39 176.04 1iw4 n ARG 13 N 0.00 2.14 -3.36 0.00 0.00 -1.25 -4.75 116.66 109.44 1iw4 n ARG 13 Ca 0.00 -2.66 -0.15 0.00 -0.00 0.00 0.00 57.85 55.05 1iw4 n ARG 13 Cb 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 32.46 30.38 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iw4 n ASN 15 N -1.70 -0.44 0.00 0.00 5.03 -1.26 -4.85 115.26 112.03 1iw4 n ASN 15 Ca -0.04 0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1iw4 n ASN 15 Cb 0.34 0.65 0.00 0.00 -1.02 0.00 0.00 39.78 39.76 1iw4 n ASN 15 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1iw4 n LYS 16 N -2.45 0.00 -1.68 3.52 0.00 -1.26 -4.60 118.16 111.69 1iw4 n LYS 16 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 1iw4 n LYS 16 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 1iw4 n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iw4 n MET 17 N 0.00 1.22 -2.69 -1.58 0.00 -1.26 -4.23 117.12 108.58 1iw4 n MET 17 Ca 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 57.70 55.54 1iw4 n MET 17 Cb 0.00 -3.51 0.10 0.00 0.00 0.00 0.00 33.22 29.81 1iw4 n MET 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1iw4 n LEU 18 N 13.50 -1.63 0.00 3.17 -0.00 -1.26 -5.00 117.00 125.79 1iw4 n LEU 18 Ca 0.45 -2.53 0.00 0.00 -0.00 0.00 0.00 56.01 53.94 1iw4 n LEU 18 Cb 0.45 0.96 0.00 0.00 -0.00 0.00 0.00 43.42 44.83 1iw4 n LEU 18 CO 0.78 1.76 0.00 0.61 -0.00 0.00 0.00 177.39 180.54 1iw4 n GLY 19 N 0.41 -0.37 3.24 1.47 0.00 -1.26 -5.16 105.19 103.52 1iw4 n GLY 19 Ca -0.02 0.52 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 1iw4 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iw4 n ASP 20 N 0.00 -3.34 -3.05 1.61 8.00 -1.26 -5.02 116.55 113.48 1iw4 n ASP 20 Ca 0.00 -0.59 -0.07 0.00 0.71 0.00 0.00 54.79 54.85 1iw4 n ASP 20 Cb 0.00 -1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 40.07 1iw4 n ASP 20 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1iw4 s LEU 21 N -5.81 -0.99 0.72 0.64 2.96 -1.26 -4.31 118.68 110.62 1iw4 s LEU 21 Ca 0.61 -1.56 -0.11 0.00 -0.22 0.00 0.00 54.13 52.85 1iw4 s LEU 21 Cb -0.14 1.50 0.02 0.00 0.50 0.00 0.00 46.19 48.07 1iw4 s LEU 21 CO 0.55 -0.13 1.10 -0.51 -1.32 0.00 0.00 176.35 176.05 1iw4 s ILE 22 N 1.17 3.35 -0.50 6.68 -1.16 -1.08 -2.61 121.20 127.05 1iw4 s ILE 22 Ca 0.24 0.44 0.03 0.00 -0.51 0.00 0.00 60.65 60.85 1iw4 s ILE 22 Cb -0.03 -3.42 0.13 0.00 0.61 0.00 0.00 42.46 39.75 1iw4 s ILE 22 CO -0.07 -0.57 0.24 0.00 -2.81 0.00 0.00 174.94 171.73 1iw4 s ALA 24 N -0.02 3.34 -0.02 0.00 0.00 0.45 -1.83 121.76 123.68 1iw4 s ALA 24 Ca 0.16 -0.37 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 1iw4 s ALA 24 Cb -0.24 -2.69 0.04 0.00 0.00 0.00 0.00 23.12 20.22 1iw4 s ALA 24 CO -0.02 -0.34 0.42 0.08 0.00 0.00 0.00 175.76 175.89 1iw4 s VAL 25 N -2.74 0.04 -0.38 0.00 1.01 0.21 0.26 120.40 118.79 1iw4 s VAL 25 Ca 0.49 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1iw4 s VAL 25 Cb -0.10 -0.75 0.15 0.00 0.00 0.00 0.00 36.38 35.68 1iw4 s VAL 25 CO 0.44 -0.19 0.27 0.27 0.00 0.00 0.00 175.10 175.89 1iw4 s ILE 26 N -1.40 0.26 0.00 2.22 -0.00 -0.80 -2.42 121.20 119.06 1iw4 s ILE 26 Ca -0.12 -2.18 0.00 0.00 -0.00 0.00 0.00 60.65 58.35 1iw4 s ILE 26 Cb -0.03 -1.20 0.00 0.00 -0.00 0.00 0.00 42.46 41.23 1iw4 s ILE 26 CO 0.05 -1.11 0.00 0.61 -0.00 0.00 0.00 174.94 174.49 1iw4 n GLY 27 N 3.45 0.90 0.86 6.27 0.00 -1.26 -2.07 105.19 113.34 1iw4 n GLY 27 Ca 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1iw4 n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iw4 n ASP 28 N 2.25 -0.57 -3.74 1.61 5.75 -1.26 -5.05 116.55 115.54 1iw4 n ASP 28 Ca 0.00 -1.70 -0.29 0.00 -0.01 0.00 0.00 54.79 52.79 1iw4 n ASP 28 Cb 0.00 0.17 -0.13 0.00 -1.03 0.00 0.00 41.12 40.13 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iw4 s ALA 29 N 0.00 2.54 0.29 2.12 0.00 -0.88 -5.10 121.76 120.72 1iw4 s ALA 29 Ca 0.02 -2.91 -0.29 0.00 0.00 0.00 0.00 51.96 48.78 1iw4 s ALA 29 Cb 0.02 -1.94 -0.10 0.00 0.00 0.00 0.00 23.12 21.10 1iw4 s ALA 29 CO -0.01 -2.05 1.10 0.21 0.00 0.00 0.00 175.76 175.01 1iw4 s LYS 30 N -0.12 4.60 -0.28 0.00 2.20 -1.26 -1.90 119.74 122.99 1iw4 s LYS 30 Ca 0.21 1.79 -0.17 0.00 -0.36 0.00 0.00 55.97 57.43 1iw4 s LYS 30 Cb -0.17 -3.14 0.08 0.00 -1.51 0.00 0.00 37.83 33.08 1iw4 s LYS 30 CO -0.05 0.18 0.70 -1.21 -0.36 0.00 0.00 175.35 174.61 1iw4 s GLU 31 N -1.52 0.73 0.07 4.03 2.02 0.14 -4.94 118.70 119.23 1iw4 s GLU 31 Ca 0.45 1.19 -0.00 0.00 0.02 0.00 0.00 54.97 56.64 1iw4 s GLU 31 Cb -0.31 0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.05 1iw4 s GLU 31 CO 0.40 -0.14 0.22 -1.21 0.02 0.00 0.00 175.26 174.55 1iw4 s GLU 32 N 1.46 3.45 -0.07 1.61 8.01 -1.26 -0.41 118.70 131.48 1iw4 s GLU 32 Ca -0.09 -0.43 -0.31 0.00 0.01 0.00 0.00 54.97 54.16 1iw4 s GLU 32 Cb -0.05 -3.03 0.08 0.00 -4.31 0.00 0.00 34.13 26.82 1iw4 s GLU 32 CO -0.17 0.60 0.71 -3.38 0.01 0.00 0.00 175.26 173.03 1iw4 s HIS 33 N -1.53 -0.63 -0.08 1.61 -3.43 -1.20 -4.96 115.29 105.07 1iw4 s HIS 33 Ca 0.35 1.11 -0.21 0.00 -0.80 0.00 0.00 55.06 55.51 1iw4 s HIS 33 Cb -0.13 0.41 -0.29 0.00 -1.43 0.00 0.00 32.58 31.14 1iw4 s HIS 33 CO 0.28 -0.58 0.77 0.00 -2.00 0.00 0.00 174.74 173.22 1iw4 h ARG 34 N 3.02 0.24 -4.13 -0.38 2.47 -1.90 -2.86 114.38 110.83 1iw4 h ARG 34 Ca -0.26 -0.41 -0.71 0.00 -1.26 0.00 0.00 59.98 57.34 1iw4 h ARG 34 Cb 1.14 0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 29.58 1iw4 h ARG 34 CO 0.37 1.20 3.05 -1.71 0.56 0.00 0.00 179.97 183.44 1iw4 n ASN 35 N -4.14 3.89 0.22 7.04 4.05 -1.26 -4.68 115.26 120.38 1iw4 n ASN 35 Ca -0.17 -2.84 0.15 0.00 0.45 0.00 0.00 54.58 52.17 1iw4 n ASN 35 Cb 0.80 -1.65 0.80 0.00 1.23 0.00 0.00 39.78 40.96 1iw4 n ASN 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1iw4 h MET 36 N 6.17 0.00 0.02 1.20 -0.00 -1.98 -2.25 114.93 118.08 1iw4 h MET 36 Ca 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 60.21 1iw4 h MET 36 Cb 0.66 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.26 1iw4 h MET 36 CO 1.86 0.00 -0.21 0.00 -0.00 0.00 0.00 176.91 178.56 1iw4 h ALA 38 N 0.14 1.83 0.22 0.00 0.00 -1.71 0.27 119.26 120.02 1iw4 h ALA 38 Ca -0.03 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.53 1iw4 h ALA 38 Cb 1.07 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.89 1iw4 h ALA 38 CO 0.04 0.03 -1.48 -0.07 0.00 0.00 0.00 179.25 177.77 1iw4 h LEU 39 N 0.00 0.74 -0.65 0.00 4.07 -1.55 -2.72 115.31 115.20 1iw4 h LEU 39 Ca -0.00 -0.82 -0.14 0.00 0.08 0.00 0.00 57.88 56.99 1iw4 h LEU 39 Cb 0.05 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 1iw4 h LEU 39 CO 0.00 1.65 -0.67 0.00 -1.08 0.00 0.00 178.44 178.35 1iw4 h GLU 42 N 0.31 0.00 -7.51 0.00 4.81 -1.42 -3.48 114.58 107.28 1iw4 h GLU 42 Ca -0.06 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.71 1iw4 h GLU 42 Cb 1.44 0.00 0.10 0.00 0.63 0.00 0.00 28.75 30.92 1iw4 h GLU 42 CO 0.15 0.54 0.34 -1.01 -0.73 0.00 0.00 179.01 178.30 1iw4 s HIS 43 N -2.63 2.83 -0.41 0.92 3.76 0.16 -4.99 115.29 114.94 1iw4 s HIS 43 Ca -0.04 0.60 -0.28 0.00 -0.15 0.00 0.00 55.06 55.19 1iw4 s HIS 43 Cb 0.08 -3.43 -0.00 0.00 1.11 0.00 0.00 32.58 30.34 1iw4 s HIS 43 CO 0.82 -1.71 1.59 -2.14 -0.85 0.00 0.00 174.74 172.46 1iw4 s PRO 44 N -5.48 3.39 -0.77 8.40 0.02 -1.26 -3.55 135.00 135.76 1iw4 s PRO 44 Ca 0.62 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.70 1iw4 s PRO 44 Cb -0.10 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.29 1iw4 s PRO 44 CO 0.48 -1.79 0.00 0.41 -0.33 0.00 0.00 177.00 175.77 1iw4 n GLY 45 N 5.27 0.09 0.54 0.52 0.00 -1.26 -4.07 105.19 106.28 1iw4 n GLY 45 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1iw4 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iw4 n GLY 46 N -0.44 -1.20 3.28 -0.02 0.00 -1.23 -4.50 105.19 101.08 1iw4 n GLY 46 Ca -0.09 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1iw4 n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iw4 n PHE 47 N 1.35 -2.41 -2.55 1.61 3.01 -1.26 -3.99 117.46 113.22 1iw4 n PHE 47 Ca 0.00 0.17 -0.41 0.00 1.01 0.00 0.00 57.45 58.22 1iw4 n PHE 47 Cb 0.00 -1.66 -0.02 0.00 -0.01 0.00 0.00 39.48 37.79 1iw4 n PHE 47 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1iw4 s GLU 48 N -3.14 3.66 0.30 -1.08 2.12 -1.02 -3.66 118.70 115.88 1iw4 s GLU 48 Ca 0.52 -1.32 0.11 0.00 0.36 0.00 0.00 54.97 54.64 1iw4 s GLU 48 Cb -0.18 -5.40 -0.05 0.00 0.26 0.00 0.00 34.13 28.76 1iw4 s GLU 48 CO 0.71 -2.26 -0.16 1.52 -0.54 0.00 0.00 175.26 174.53 1iw4 s TYR 49 N 4.96 2.34 -0.27 5.30 -0.85 -1.16 0.63 117.35 128.31 1iw4 s TYR 49 Ca 0.49 -0.37 -0.04 0.00 -0.52 0.00 0.00 57.07 56.64 1iw4 s TYR 49 Cb 0.01 -1.10 0.10 0.00 0.38 0.00 0.00 41.96 41.34 1iw4 s TYR 49 CO -0.05 0.68 0.16 -1.54 -1.52 0.00 0.00 175.55 173.27 1iw4 s SER 50 N -3.55 2.92 0.14 -0.18 1.04 -0.76 0.11 113.70 113.42 1iw4 s SER 50 Ca 0.31 -1.03 -0.33 0.00 0.48 0.00 0.00 55.95 55.37 1iw4 s SER 50 Cb -0.03 -0.15 -0.17 0.00 0.10 0.00 0.00 66.02 65.77 1iw4 s SER 50 CO 0.16 -0.41 1.00 0.59 0.98 0.00 0.00 173.24 175.56 1iw4 n ASN 51 N 5.27 0.46 0.00 7.02 3.02 -1.26 -2.45 115.26 127.32 1iw4 n ASN 51 Ca -0.06 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 1iw4 n ASN 51 Cb 0.44 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 1iw4 n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iw4 n GLY 52 N 1.87 4.61 3.64 7.41 0.00 -1.07 -4.86 105.19 116.79 1iw4 n GLY 52 Ca 0.17 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1iw4 n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iw4 s PRO 53 N -3.85 3.89 0.06 1.61 0.04 -1.22 -4.18 135.00 131.35 1iw4 s PRO 53 Ca 0.00 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1iw4 s PRO 53 Cb 0.00 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1iw4 s PRO 53 CO 0.00 -1.24 0.00 0.00 0.04 0.00 0.00 177.00 175.80