#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 1.99 -3.35 0.00 -0.00 -1.26 -3.48 115.22 109.13 1iw4 n HIS 2 Ca 0.00 -3.53 0.02 0.00 -0.00 0.00 0.00 57.72 54.21 1iw4 n HIS 2 Cb 0.00 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.99 29.58 1iw4 n HIS 2 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1iw4 s MET 3 N -3.05 0.26 -0.39 -0.41 1.00 -1.18 -4.76 119.30 110.76 1iw4 s MET 3 Ca 0.41 0.63 0.10 0.00 0.00 0.00 0.00 55.69 56.83 1iw4 s MET 3 Cb 0.36 0.38 0.39 0.00 0.00 0.00 0.00 34.83 35.96 1iw4 s MET 3 CO -0.09 -0.11 1.23 -0.40 0.00 0.00 0.00 175.02 175.65 1iw4 n ASP 4 N 4.99 -1.32 -4.91 3.03 5.75 -1.26 -4.99 116.55 117.83 1iw4 n ASP 4 Ca -0.08 -2.71 -0.27 0.00 -0.01 0.00 0.00 54.79 51.72 1iw4 n ASP 4 Cb 0.53 0.84 0.08 0.00 -1.03 0.00 0.00 41.12 41.54 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iw4 h THR 6 N -0.78 0.00 0.00 0.00 1.03 -1.84 -3.45 112.91 107.87 1iw4 h THR 6 Ca -0.45 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 1iw4 h THR 6 Cb 1.32 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 1iw4 h THR 6 CO 0.62 0.00 0.00 -1.84 -0.01 0.00 0.00 175.52 174.29 1iw4 n GLU 7 N -3.42 0.00 0.00 0.00 0.28 -1.26 -5.02 120.64 111.21 1iw4 n GLU 7 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1iw4 n GLU 7 Cb 0.15 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.02 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1iw4 n PHE 8 N 0.00 0.00 0.18 -1.84 1.16 -1.26 -5.07 117.46 110.62 1iw4 n PHE 8 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.46 1iw4 n PHE 8 Cb 0.00 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.80 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 1iw4 h ASN 9 N 0.00 -0.42 -0.07 5.98 -0.26 -2.04 -3.37 115.58 115.40 1iw4 h ASN 9 Ca 0.00 -0.14 -0.11 0.00 -0.56 0.00 0.00 56.30 55.49 1iw4 h ASN 9 Cb 0.00 0.11 0.03 0.00 -1.06 0.00 0.00 38.32 37.39 1iw4 h ASN 9 CO 0.00 -0.01 0.26 -0.81 -1.06 0.00 0.00 177.43 175.81 1iw4 n PRO 10 N -5.14 0.10 0.00 0.81 -0.04 -1.26 -4.87 135.00 124.60 1iw4 n PRO 10 Ca -0.09 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 1iw4 n PRO 10 Cb 0.28 -3.70 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 1.47 -0.04 0.00 0.00 175.50 176.93 1iw4 n LEU 11 N 18.11 0.00 0.00 1.53 -0.00 -1.26 -4.04 117.00 131.34 1iw4 n LEU 11 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 1iw4 n LEU 11 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1iw4 n LEU 11 CO 0.70 -0.73 0.00 0.00 -0.00 0.00 0.00 177.39 177.36 1iw4 n ARG 13 N 0.00 2.60 -3.59 0.00 3.00 -1.26 -4.83 116.66 112.58 1iw4 n ARG 13 Ca 0.00 -3.24 -0.12 0.00 -0.00 0.00 0.00 57.85 54.49 1iw4 n ARG 13 Cb 0.00 -2.26 -0.11 0.00 0.00 0.00 0.00 32.46 30.09 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 5.36 1.96 0.00 0.00 4.13 -1.26 -4.53 115.26 120.92 1iw4 n ASN 15 Ca -0.06 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1iw4 n ASN 15 Cb 0.50 -0.80 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 1iw4 n ASN 15 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1iw4 n LYS 16 N -4.01 0.00 -0.63 3.52 2.85 -1.26 -4.58 118.16 114.05 1iw4 n LYS 16 Ca -0.42 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.53 1iw4 n LYS 16 Cb 0.87 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.19 1iw4 n LYS 16 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1iw4 n MET 17 N 0.00 0.82 -2.68 -1.58 2.81 -1.26 -3.78 117.12 111.45 1iw4 n MET 17 Ca 0.00 -1.23 -0.05 0.00 -1.81 0.00 0.00 57.70 54.61 1iw4 n MET 17 Cb 0.00 -2.51 0.05 0.00 -0.71 0.00 0.00 33.22 30.05 1iw4 n MET 17 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1iw4 n LEU 18 N 6.87 -1.49 0.00 4.03 -0.00 -1.26 -4.94 117.00 120.21 1iw4 n LEU 18 Ca 0.38 -2.47 0.00 0.00 -0.00 0.00 0.00 56.01 53.91 1iw4 n LEU 18 Cb 0.28 0.63 0.00 0.00 -0.00 0.00 0.00 43.42 44.33 1iw4 n LEU 18 CO 0.92 1.52 0.00 0.61 -0.00 0.00 0.00 177.39 180.44 1iw4 n GLY 19 N -0.31 2.30 3.19 1.47 0.00 -1.25 -5.14 105.19 105.46 1iw4 n GLY 19 Ca -0.14 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.60 -3.34 1.61 8.00 -1.26 -4.96 116.55 113.00 1iw4 n ASP 20 Ca 0.00 -0.94 -0.21 0.00 0.71 0.00 0.00 54.79 54.35 1iw4 n ASP 20 Cb 0.00 -0.98 -0.08 0.00 -0.02 0.00 0.00 41.12 40.04 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 0.37 0.15 0.64 2.96 -1.26 -3.85 118.68 117.69 1iw4 s LEU 21 Ca 0.67 -2.06 -0.05 0.00 -0.22 0.00 0.00 54.13 52.47 1iw4 s LEU 21 Cb -0.10 0.24 -0.06 0.00 0.50 0.00 0.00 46.19 46.77 1iw4 s LEU 21 CO 0.54 -0.23 0.39 -0.51 -1.32 0.00 0.00 176.35 175.22 1iw4 s ILE 22 N 1.00 5.15 -0.72 6.68 -1.16 0.67 0.14 121.20 132.95 1iw4 s ILE 22 Ca 0.22 0.06 -0.03 0.00 -0.51 0.00 0.00 60.65 60.40 1iw4 s ILE 22 Cb -0.12 -3.62 0.18 0.00 0.61 0.00 0.00 42.46 39.51 1iw4 s ILE 22 CO -0.05 0.03 0.56 0.00 -2.81 0.00 0.00 174.94 172.67 1iw4 s ALA 24 N -0.52 3.04 -0.06 0.00 0.00 -0.56 -0.67 121.76 122.98 1iw4 s ALA 24 Ca 0.21 0.18 -0.09 0.00 0.00 0.00 0.00 51.96 52.25 1iw4 s ALA 24 Cb -0.15 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.86 1iw4 s ALA 24 CO -0.07 -0.32 0.23 0.08 0.00 0.00 0.00 175.76 175.68 1iw4 s VAL 25 N -2.65 0.03 -0.76 0.00 1.01 0.13 -0.19 120.40 117.96 1iw4 s VAL 25 Ca 0.59 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1iw4 s VAL 25 Cb -0.11 -0.41 0.19 0.00 0.00 0.00 0.00 36.38 36.06 1iw4 s VAL 25 CO 0.34 -0.12 0.59 0.27 0.00 0.00 0.00 175.10 176.18 1iw4 s ILE 26 N -0.43 3.64 0.00 2.22 -0.00 0.42 -3.01 121.20 124.05 1iw4 s ILE 26 Ca -0.05 -3.83 0.00 0.00 -0.00 0.00 0.00 60.65 56.77 1iw4 s ILE 26 Cb -0.04 -3.33 0.00 0.00 -0.00 0.00 0.00 42.46 39.10 1iw4 s ILE 26 CO 0.01 -1.01 0.00 0.61 -0.00 0.00 0.00 174.94 174.56 1iw4 n GLY 27 N 2.44 0.71 0.54 6.27 0.00 -1.26 -2.32 105.19 111.57 1iw4 n GLY 27 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 1iw4 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iw4 n ASP 28 N 1.74 -0.00 -3.80 1.61 8.00 -1.26 -5.04 116.55 117.81 1iw4 n ASP 28 Ca 0.00 -1.51 -0.30 0.00 0.71 0.00 0.00 54.79 53.69 1iw4 n ASP 28 Cb 0.00 -0.09 -0.15 0.00 -0.02 0.00 0.00 41.12 40.86 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iw4 s ALA 29 N 0.00 2.01 0.09 2.24 0.00 -0.98 -5.12 121.76 120.00 1iw4 s ALA 29 Ca 0.01 -2.10 -0.02 0.00 0.00 0.00 0.00 51.96 49.85 1iw4 s ALA 29 Cb 0.01 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1iw4 s ALA 29 CO -0.00 -1.77 0.28 -1.59 0.00 0.00 0.00 175.76 172.68 1iw4 s LYS 30 N 1.15 3.51 -0.13 0.00 -2.85 -1.26 -0.44 119.74 119.72 1iw4 s LYS 30 Ca 0.12 -0.29 -0.27 0.00 -1.00 0.00 0.00 55.97 54.53 1iw4 s LYS 30 Cb -0.19 -2.97 0.07 0.00 -2.06 0.00 0.00 37.83 32.67 1iw4 s LYS 30 CO -0.15 0.56 0.65 -2.00 0.10 0.00 0.00 175.35 174.51 1iw4 s GLU 31 N -2.54 0.93 0.04 1.78 -6.30 0.73 -4.97 118.70 108.37 1iw4 s GLU 31 Ca 0.37 0.49 -0.15 0.00 -2.50 0.00 0.00 54.97 53.18 1iw4 s GLU 31 Cb -0.13 0.44 -0.06 0.00 0.00 0.00 0.00 34.13 34.39 1iw4 s GLU 31 CO 0.26 -0.23 0.46 -1.21 0.02 0.00 0.00 175.26 174.56 1iw4 s GLU 32 N -0.61 3.97 -0.08 4.30 2.02 -1.26 -1.50 118.70 125.55 1iw4 s GLU 32 Ca -0.07 0.47 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 1iw4 s GLU 32 Cb -0.02 -3.18 0.07 0.00 0.10 0.00 0.00 34.13 31.10 1iw4 s GLU 32 CO 0.06 0.65 0.69 -3.38 0.02 0.00 0.00 175.26 173.30 1iw4 s HIS 33 N -1.15 -0.67 -0.24 1.61 -3.43 -0.12 -4.99 115.29 106.30 1iw4 s HIS 33 Ca 0.27 1.22 0.22 0.00 -0.80 0.00 0.00 55.06 55.97 1iw4 s HIS 33 Cb -0.17 0.39 0.02 0.00 -1.43 0.00 0.00 32.58 31.39 1iw4 s HIS 33 CO 0.16 -0.58 1.08 0.00 -2.00 0.00 0.00 174.74 173.39 1iw4 h ARG 34 N 3.24 0.00 -3.81 -0.38 3.08 -1.84 0.19 114.38 114.86 1iw4 h ARG 34 Ca -0.27 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.03 1iw4 h ARG 34 Cb 1.14 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.04 1iw4 h ARG 34 CO 0.35 0.04 1.90 0.09 -1.07 0.00 0.00 179.97 181.28 1iw4 n ASN 35 N -2.74 5.09 0.33 7.04 5.03 -1.26 -4.00 115.26 124.74 1iw4 n ASN 35 Ca -0.01 -3.08 0.22 0.00 0.87 0.00 0.00 54.58 52.59 1iw4 n ASN 35 Cb 0.58 -1.50 1.11 0.00 -1.02 0.00 0.00 39.78 38.94 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 1iw4 h MET 36 N 6.07 0.00 0.09 3.52 1.85 -1.89 -1.30 114.93 123.27 1iw4 h MET 36 Ca 0.38 0.00 -0.30 0.00 -0.61 0.00 0.00 59.70 59.17 1iw4 h MET 36 Cb 0.68 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.70 1iw4 h MET 36 CO 1.55 0.00 -1.57 0.00 -0.40 0.00 0.00 176.91 176.49 1iw4 n ALA 38 N -2.66 1.97 -0.10 0.00 0.00 -0.58 -2.47 120.51 116.68 1iw4 n ALA 38 Ca -0.17 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.01 1iw4 n ALA 38 Cb 1.04 -1.36 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 1iw4 n ALA 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1iw4 h LEU 39 N 0.00 0.02 -2.12 0.00 7.12 -1.35 -2.12 115.31 116.86 1iw4 h LEU 39 Ca 0.00 -0.57 -0.01 0.00 0.13 0.00 0.00 57.88 57.43 1iw4 h LEU 39 Cb 0.40 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1iw4 h LEU 39 CO 0.00 1.46 -0.05 0.00 -0.13 0.00 0.00 178.44 179.73 1iw4 n GLU 42 N -3.45 3.74 -4.31 0.00 2.13 -0.80 -4.96 120.64 112.99 1iw4 n GLU 42 Ca -0.24 -2.74 -0.18 0.00 0.66 0.00 0.00 57.16 54.66 1iw4 n GLU 42 Cb 1.06 -1.92 -0.09 0.00 0.27 0.00 0.00 31.44 30.76 1iw4 n GLU 42 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1iw4 s HIS 43 N -1.95 1.59 -0.82 4.31 3.76 0.17 -4.95 115.29 117.41 1iw4 s HIS 43 Ca 0.49 -1.44 -0.20 0.00 -0.15 0.00 0.00 55.06 53.75 1iw4 s HIS 43 Cb 0.32 -0.80 -0.19 0.00 1.11 0.00 0.00 32.58 33.03 1iw4 s HIS 43 CO 0.22 -0.61 2.12 -2.30 -0.85 0.00 0.00 174.74 173.31 1iw4 n PRO 44 N -0.57 0.26 -2.90 8.40 -0.02 -1.26 -3.56 135.00 135.35 1iw4 n PRO 44 Ca 0.02 -0.85 -0.11 0.00 -2.02 0.00 0.00 63.50 60.54 1iw4 n PRO 44 Cb 0.64 -2.98 -0.02 0.00 -0.02 0.00 0.00 33.50 31.12 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 6.11 -0.43 1.45 -1.23 0.00 -1.26 0.10 105.19 109.94 1iw4 n GLY 45 Ca 0.43 0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.62 0.91 0.00 -0.02 0.00 -1.23 -4.86 105.19 99.37 1iw4 n GLY 46 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1iw4 n GLY 46 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1iw4 n PHE 47 N -2.35 0.00 -4.22 1.61 -1.74 0.29 -3.12 117.46 107.92 1iw4 n PHE 47 Ca -0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.69 1iw4 n PHE 47 Cb 0.50 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.38 1iw4 n PHE 47 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 1iw4 s GLU 48 N 0.00 0.96 0.24 3.97 -1.05 -1.16 -3.92 118.70 117.73 1iw4 s GLU 48 Ca 0.00 -1.08 -0.09 0.00 -0.15 0.00 0.00 54.97 53.65 1iw4 s GLU 48 Cb 0.00 -1.01 -0.02 0.00 -0.44 0.00 0.00 34.13 32.66 1iw4 s GLU 48 CO 0.00 0.22 0.37 1.52 0.95 0.00 0.00 175.26 178.32 1iw4 s TYR 49 N -1.44 0.65 -0.48 4.83 1.13 -1.23 0.18 117.35 121.00 1iw4 s TYR 49 Ca 0.03 -0.96 0.06 0.00 -1.41 0.00 0.00 57.07 54.79 1iw4 s TYR 49 Cb -0.09 -0.06 0.18 0.00 -1.10 0.00 0.00 41.96 40.90 1iw4 s TYR 49 CO 0.03 -0.89 0.57 0.43 -2.51 0.00 0.00 175.55 173.18 1iw4 n SER 50 N -0.41 -2.27 -4.55 -0.18 7.64 0.15 -4.89 113.62 109.12 1iw4 n SER 50 Ca -0.00 -2.70 -0.47 0.00 1.01 0.00 0.00 58.87 56.71 1iw4 n SER 50 Cb 0.63 0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 64.63 1iw4 n SER 50 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1iw4 n ASN 51 N 2.89 0.78 0.00 6.43 4.13 -1.26 -2.16 115.26 126.06 1iw4 n ASN 51 Ca 0.23 1.16 0.00 0.00 1.68 0.00 0.00 54.58 57.65 1iw4 n ASN 51 Cb 0.53 -1.19 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 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 1.59 -0.77 3.77 7.41 0.00 0.36 -4.84 105.19 112.71 1iw4 n GLY 52 Ca 0.13 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 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 0.00 4.24 0.01 1.61 0.04 -1.26 -4.39 135.00 135.26 1iw4 s PRO 53 Ca 0.00 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1iw4 s PRO 53 Cb 0.00 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1iw4 s PRO 53 CO 0.00 -0.14 0.00 0.00 0.04 0.00 0.00 177.00 176.90