#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 3.16 -2.24 0.00 -0.00 -1.25 -5.00 115.22 109.89 1iw4 n HIS 2 Ca 0.00 -2.90 -0.30 0.00 -0.00 0.00 0.00 57.72 54.51 1iw4 n HIS 2 Cb 0.00 -0.95 -0.00 0.00 -0.00 0.00 0.00 29.99 29.04 1iw4 n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1iw4 s MET 3 N -4.03 3.66 0.00 -0.41 0.00 -0.73 -2.22 119.30 115.57 1iw4 s MET 3 Ca 0.44 0.61 0.00 0.00 0.00 0.00 0.00 55.69 56.75 1iw4 s MET 3 Cb 0.27 -2.19 0.00 0.00 0.00 0.00 0.00 34.83 32.90 1iw4 s MET 3 CO -0.18 -0.38 0.00 -0.25 0.00 0.00 0.00 175.02 174.20 1iw4 n ASP 4 N -2.31 0.00 -4.87 -1.18 8.00 -1.26 -4.97 116.55 109.96 1iw4 n ASP 4 Ca 0.04 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.25 1iw4 n ASP 4 Cb 0.54 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.74 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iw4 n THR 6 N -3.40 1.69 0.00 0.00 -1.04 -1.26 -4.79 114.28 105.48 1iw4 n THR 6 Ca 0.08 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 1iw4 n THR 6 Cb 0.60 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 1iw4 n THR 6 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1iw4 n GLU 7 N -1.47 0.00 0.00 -2.82 0.28 -1.26 -4.52 120.64 110.85 1iw4 n GLU 7 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1iw4 n GLU 7 Cb 0.03 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.90 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1iw4 n PHE 8 N 0.00 0.00 0.16 -1.84 3.72 -1.26 -5.06 117.46 113.18 1iw4 n PHE 8 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1iw4 n PHE 8 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 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 -0.39 -3.27 4.37 2.35 -2.03 -3.41 115.58 113.20 1iw4 h ASN 9 Ca 0.00 -0.16 -0.74 0.00 -0.55 0.00 0.00 56.30 54.85 1iw4 h ASN 9 Cb 0.00 0.10 -0.24 0.00 0.05 0.00 0.00 38.32 38.23 1iw4 h ASN 9 CO 0.00 0.05 -0.33 -2.16 -1.65 0.00 0.00 177.43 173.34 1iw4 s PRO 10 N -3.99 2.87 1.14 0.81 0.04 -1.26 -5.08 135.00 129.53 1iw4 s PRO 10 Ca -0.12 -1.51 -0.19 0.00 0.04 0.00 0.00 61.00 59.22 1iw4 s PRO 10 Cb 0.01 -4.10 0.29 0.00 0.04 0.00 0.00 34.50 30.74 1iw4 s PRO 10 CO 0.44 -1.12 0.89 1.28 0.04 0.00 0.00 177.00 178.54 1iw4 n LEU 11 N 5.14 0.00 0.00 -3.56 7.99 -1.26 -4.20 117.00 121.11 1iw4 n LEU 11 Ca -0.12 -0.94 0.00 0.00 -0.01 0.00 0.00 56.01 54.94 1iw4 n LEU 11 Cb 0.42 -0.87 0.00 0.00 -0.11 0.00 0.00 43.42 42.86 1iw4 n LEU 11 CO 0.47 -2.22 0.00 0.00 -1.51 0.00 0.00 177.39 174.13 1iw4 n ARG 13 N 0.00 3.15 -3.62 0.00 3.00 -1.26 -4.77 116.66 113.15 1iw4 n ARG 13 Ca 0.00 -3.99 -0.29 0.00 -0.01 0.00 0.00 57.85 53.56 1iw4 n ARG 13 Cb 0.00 -2.27 -0.15 0.00 0.00 0.00 0.00 32.46 30.04 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iw4 h ASN 15 N 8.28 0.16 0.00 0.00 -0.26 -2.00 -3.42 115.58 118.34 1iw4 h ASN 15 Ca -0.17 -0.72 0.00 0.00 -0.56 0.00 0.00 56.30 54.85 1iw4 h ASN 15 Cb 1.02 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.22 1iw4 h ASN 15 CO 0.45 1.52 0.00 1.17 -1.06 0.00 0.00 177.43 179.50 1iw4 n LYS 16 N -4.19 0.00 -1.06 0.81 3.00 -1.26 -4.57 118.16 110.89 1iw4 n LYS 16 Ca -0.27 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.71 1iw4 n LYS 16 Cb 0.77 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.69 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 0.32 -2.69 1.64 0.00 -1.26 -4.09 117.12 111.04 1iw4 n MET 17 Ca 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 57.70 56.20 1iw4 n MET 17 Cb 0.00 -3.13 0.10 0.00 0.00 0.00 0.00 33.22 30.19 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 12.97 -1.60 0.00 3.17 -0.00 -1.26 -5.05 117.00 125.24 1iw4 n LEU 18 Ca 0.45 -2.48 0.00 0.00 -0.00 0.00 0.00 56.01 53.98 1iw4 n LEU 18 Cb 0.44 0.96 0.00 0.00 -0.00 0.00 0.00 43.42 44.82 1iw4 n LEU 18 CO 0.94 1.75 0.00 0.61 -0.00 0.00 0.00 177.39 180.69 1iw4 n GLY 19 N 0.41 5.22 2.39 1.47 0.00 -1.26 -5.15 105.19 108.27 1iw4 n GLY 19 Ca -0.02 -1.55 -0.22 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.88 -3.98 1.61 8.00 -1.26 -5.01 116.55 113.02 1iw4 n ASP 20 Ca 0.00 -0.77 -0.31 0.00 0.71 0.00 0.00 54.79 54.42 1iw4 n ASP 20 Cb 0.00 -0.72 -0.15 0.00 -0.02 0.00 0.00 41.12 40.23 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 0.00 4.49 0.33 0.64 2.96 -1.26 -4.50 118.68 121.34 1iw4 s LEU 21 Ca 0.50 -2.55 -0.10 0.00 -0.22 0.00 0.00 54.13 51.75 1iw4 s LEU 21 Cb -0.07 -1.61 -0.07 0.00 0.50 0.00 0.00 46.19 44.94 1iw4 s LEU 21 CO 0.40 -0.31 0.68 -0.51 -1.32 0.00 0.00 176.35 175.29 1iw4 s ILE 22 N 0.36 4.83 -0.59 6.68 -1.16 0.29 -0.61 121.20 131.00 1iw4 s ILE 22 Ca 0.14 0.57 0.01 0.00 -0.51 0.00 0.00 60.65 60.86 1iw4 s ILE 22 Cb -0.22 -3.68 0.15 0.00 0.61 0.00 0.00 42.46 39.32 1iw4 s ILE 22 CO -0.05 -0.32 0.37 0.00 -2.81 0.00 0.00 174.94 172.13 1iw4 s ALA 24 N -0.30 3.04 -0.02 0.00 0.00 0.78 -2.02 121.76 123.23 1iw4 s ALA 24 Ca 0.18 0.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.23 1iw4 s ALA 24 Cb -0.22 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1iw4 s ALA 24 CO -0.03 -0.32 0.20 0.08 0.00 0.00 0.00 175.76 175.70 1iw4 s VAL 25 N -2.64 0.06 -0.38 0.00 1.01 -0.25 0.40 120.40 118.60 1iw4 s VAL 25 Ca 0.59 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1iw4 s VAL 25 Cb -0.11 -0.46 0.16 0.00 0.00 0.00 0.00 36.38 35.97 1iw4 s VAL 25 CO 0.33 -0.28 0.31 0.27 0.00 0.00 0.00 175.10 175.73 1iw4 s ILE 26 N -1.10 0.06 0.00 2.22 -0.00 -0.76 -2.54 121.20 119.07 1iw4 s ILE 26 Ca -0.12 -1.86 0.00 0.00 -0.00 0.00 0.00 60.65 58.67 1iw4 s ILE 26 Cb -0.06 -1.02 0.00 0.00 -0.00 0.00 0.00 42.46 41.38 1iw4 s ILE 26 CO 0.02 -0.95 0.00 0.61 -0.00 0.00 0.00 174.94 174.62 1iw4 n GLY 27 N 3.61 0.82 0.74 6.27 0.00 -1.26 -2.12 105.19 113.26 1iw4 n GLY 27 Ca 0.18 -0.01 -0.02 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 2.05 -0.19 -3.75 1.61 5.75 -1.26 -5.02 116.55 115.73 1iw4 n ASP 28 Ca 0.00 -1.55 -0.28 0.00 -0.01 0.00 0.00 54.79 52.95 1iw4 n ASP 28 Cb 0.00 0.02 -0.12 0.00 -1.03 0.00 0.00 41.12 40.00 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 2.99 -0.22 2.12 0.00 -0.90 -5.08 121.76 120.66 1iw4 s ALA 29 Ca 0.03 -3.31 -0.13 0.00 0.00 0.00 0.00 51.96 48.55 1iw4 s ALA 29 Cb 0.04 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1iw4 s ALA 29 CO -0.02 -2.06 0.27 -1.59 0.00 0.00 0.00 175.76 172.36 1iw4 s LYS 30 N -0.80 4.12 0.12 0.00 -2.85 -1.26 -1.83 119.74 117.24 1iw4 s LYS 30 Ca 0.26 -0.06 -0.16 0.00 -1.00 0.00 0.00 55.97 55.00 1iw4 s LYS 30 Cb -0.06 -3.54 0.04 0.00 -2.06 0.00 0.00 37.83 32.21 1iw4 s LYS 30 CO -0.14 0.02 0.40 -1.83 0.10 0.00 0.00 175.35 173.89 1iw4 s GLU 31 N 1.17 1.07 0.83 1.78 4.04 0.16 -4.96 118.70 122.79 1iw4 s GLU 31 Ca 0.13 -0.70 -0.11 0.00 0.04 0.00 0.00 54.97 54.33 1iw4 s GLU 31 Cb -0.14 0.47 0.09 0.00 0.02 0.00 0.00 34.13 34.57 1iw4 s GLU 31 CO 0.06 -0.42 1.09 -1.21 -1.84 0.00 0.00 175.26 172.94 1iw4 s GLU 32 N -3.77 1.80 0.16 -4.83 2.02 -1.26 -0.16 118.70 112.67 1iw4 s GLU 32 Ca 0.03 0.95 -0.23 0.00 0.02 0.00 0.00 54.97 55.74 1iw4 s GLU 32 Cb 0.02 -1.86 0.07 0.00 0.10 0.00 0.00 34.13 32.45 1iw4 s GLU 32 CO -0.12 -1.90 0.61 -1.01 0.02 0.00 0.00 175.26 172.86 1iw4 s HIS 33 N -2.94 -0.52 0.00 1.61 3.76 0.17 -4.73 115.29 112.63 1iw4 s HIS 33 Ca 0.62 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.83 1iw4 s HIS 33 Cb -0.17 0.57 0.00 0.00 1.11 0.00 0.00 32.58 34.08 1iw4 s HIS 33 CO 0.56 -0.86 0.00 -2.13 -0.85 0.00 0.00 174.74 171.46 1iw4 n ARG 34 N -0.38 0.00 -1.60 1.40 0.63 -1.26 -0.55 116.66 114.90 1iw4 n ARG 34 Ca -0.16 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.36 1iw4 n ARG 34 Cb 0.65 -0.19 -0.01 0.00 0.45 0.00 0.00 32.46 33.36 1iw4 n ARG 34 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1iw4 n ASN 35 N -2.36 5.37 0.10 6.15 3.02 -1.26 -4.65 115.26 121.64 1iw4 n ASN 35 Ca 0.00 -2.76 0.09 0.00 -0.03 0.00 0.00 54.58 51.88 1iw4 n ASN 35 Cb 0.00 -1.63 0.41 0.00 -0.61 0.00 0.00 39.78 37.96 1iw4 n ASN 35 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1iw4 n MET 36 N 5.33 0.12 -0.03 3.52 0.00 -1.26 -2.44 117.12 122.35 1iw4 n MET 36 Ca 0.60 0.45 -0.15 0.00 -0.00 0.00 0.00 57.70 58.61 1iw4 n MET 36 Cb 0.34 -1.77 -0.12 0.00 0.00 0.00 0.00 33.22 31.67 1iw4 n MET 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1iw4 h ALA 38 N 0.22 1.01 0.02 0.00 0.00 -1.77 -2.67 119.26 116.07 1iw4 h ALA 38 Ca -0.02 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 1iw4 h ALA 38 Cb 0.96 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1iw4 h ALA 38 CO 0.03 0.32 -0.94 -0.07 0.00 0.00 0.00 179.25 178.59 1iw4 h LEU 39 N 0.00 0.35 -0.82 0.00 4.07 -1.52 -2.93 115.31 114.46 1iw4 h LEU 39 Ca -0.00 -0.30 -0.12 0.00 0.08 0.00 0.00 57.88 57.53 1iw4 h LEU 39 Cb 0.78 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1iw4 h LEU 39 CO 0.03 1.12 -0.55 0.00 -1.08 0.00 0.00 178.44 177.96 1iw4 n GLU 42 N -4.44 0.15 -2.39 0.00 1.02 -1.11 -4.76 120.64 109.10 1iw4 n GLU 42 Ca -0.04 0.10 -0.24 0.00 -0.02 0.00 0.00 57.16 56.96 1iw4 n GLU 42 Cb 0.37 -1.65 0.08 0.00 -0.02 0.00 0.00 31.44 30.22 1iw4 n GLU 42 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1iw4 s HIS 43 N -3.06 2.50 -0.11 -0.32 3.76 0.22 -4.90 115.29 113.38 1iw4 s HIS 43 Ca 0.11 0.14 -0.27 0.00 -0.15 0.00 0.00 55.06 54.90 1iw4 s HIS 43 Cb 0.15 -3.09 -0.32 0.00 1.11 0.00 0.00 32.58 30.43 1iw4 s HIS 43 CO 0.59 -1.42 1.52 -2.30 -0.85 0.00 0.00 174.74 172.29 1iw4 n PRO 44 N -2.80 0.01 -2.65 8.40 -0.02 -1.26 -4.12 135.00 132.56 1iw4 n PRO 44 Ca 0.10 -0.95 -0.06 0.00 -2.02 0.00 0.00 63.50 60.56 1iw4 n PRO 44 Cb 0.60 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 1iw4 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iw4 n GLY 45 N 4.95 -0.44 0.00 -1.23 0.00 -1.26 -4.45 105.19 102.75 1iw4 n GLY 45 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.55 1.43 3.78 -0.02 0.00 -1.26 -4.96 105.19 103.62 1iw4 n GLY 46 Ca 0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1iw4 n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iw4 s PHE 47 N 0.00 2.74 -1.08 1.61 5.36 -1.26 -4.62 117.98 120.73 1iw4 s PHE 47 Ca 0.00 1.25 -0.03 0.00 -0.96 0.00 0.00 56.93 57.19 1iw4 s PHE 47 Cb 0.00 -3.09 0.30 0.00 -0.34 0.00 0.00 43.02 39.89 1iw4 s PHE 47 CO 0.00 -1.83 1.75 0.39 -1.46 0.00 0.00 175.22 174.08 1iw4 n GLU 48 N -3.49 4.98 -3.93 10.12 1.02 -1.05 -1.77 120.64 126.51 1iw4 n GLU 48 Ca 0.07 -4.49 -0.21 0.00 -0.02 0.00 0.00 57.16 52.51 1iw4 n GLU 48 Cb 0.55 -2.52 -0.04 0.00 -0.02 0.00 0.00 31.44 29.42 1iw4 n GLU 48 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1iw4 s TYR 49 N -3.38 3.05 -0.35 -0.32 -0.85 -0.94 -1.08 117.35 113.48 1iw4 s TYR 49 Ca 0.37 -0.19 -0.00 0.00 -0.52 0.00 0.00 57.07 56.73 1iw4 s TYR 49 Cb 0.14 -1.62 0.12 0.00 0.38 0.00 0.00 41.96 40.98 1iw4 s TYR 49 CO -0.04 0.34 0.17 -1.12 -1.52 0.00 0.00 175.55 173.38 1iw4 s SER 50 N -3.94 3.56 0.08 -0.18 0.01 -0.86 -4.53 113.70 107.85 1iw4 s SER 50 Ca 0.37 -2.00 -0.37 0.00 1.31 0.00 0.00 55.95 55.26 1iw4 s SER 50 Cb -0.07 -0.71 -0.17 0.00 0.21 0.00 0.00 66.02 65.29 1iw4 s SER 50 CO 0.26 -0.35 1.35 0.59 0.41 0.00 0.00 173.24 175.50 1iw4 n ASN 51 N 4.34 1.69 0.00 2.44 4.13 -1.26 -2.65 115.26 123.94 1iw4 n ASN 51 Ca 0.04 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.42 1iw4 n ASN 51 Cb 0.39 -1.20 0.00 0.00 -1.54 0.00 0.00 39.78 37.43 1iw4 n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1iw4 n GLY 52 N 2.56 2.48 3.62 7.41 0.00 0.22 -4.91 105.19 116.57 1iw4 n GLY 52 Ca 0.18 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.40 3.53 0.00 1.61 0.04 -1.19 -4.17 135.00 132.43 1iw4 s PRO 53 Ca 0.00 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1iw4 s PRO 53 Cb 0.00 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1iw4 s PRO 53 CO 0.00 -1.63 0.00 0.00 0.04 0.00 0.00 177.00 175.41