#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 2.40 0.00 0.00 -0.00 -0.95 -4.50 115.22 112.18 1iw4 n HIS 2 Ca 0.00 -1.79 0.00 0.00 0.46 0.00 0.00 57.72 56.39 1iw4 n HIS 2 Cb 0.00 -0.90 0.00 0.00 -0.12 0.00 0.00 29.99 28.97 1iw4 n HIS 2 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1iw4 n MET 3 N -0.68 0.00 -2.63 1.57 2.00 -1.26 -4.95 117.12 111.18 1iw4 n MET 3 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.81 1iw4 n MET 3 Cb 1.22 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 34.39 1iw4 n MET 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1iw4 s ASP 4 N 2.00 6.89 -0.28 7.83 2.15 -1.26 -5.06 116.67 128.94 1iw4 s ASP 4 Ca 0.00 1.95 -0.20 0.00 0.43 0.00 0.00 52.55 54.72 1iw4 s ASP 4 Cb 0.00 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 40.12 1iw4 s ASP 4 CO 0.00 -0.39 0.72 0.00 -0.17 0.00 0.00 175.17 175.33 1iw4 h THR 6 N 4.49 0.97 0.00 0.00 1.35 -1.87 -3.43 112.91 114.43 1iw4 h THR 6 Ca -0.29 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1iw4 h THR 6 Cb 1.19 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1iw4 h THR 6 CO 0.11 0.14 0.00 1.21 -0.25 0.00 0.00 175.52 176.73 1iw4 n GLU 7 N -4.51 0.00 0.00 4.72 2.13 -1.26 -4.59 120.64 117.13 1iw4 n GLU 7 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1iw4 n GLU 7 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.01 1iw4 n GLU 7 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1iw4 n PHE 8 N 0.00 0.00 0.23 4.31 7.35 -1.26 -5.07 117.46 123.01 1iw4 n PHE 8 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 1iw4 n PHE 8 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1iw4 h ASN 9 N 0.00 -0.54 -2.74 -2.13 2.35 -2.01 -3.37 115.58 107.14 1iw4 h ASN 9 Ca 0.00 -0.03 -0.76 0.00 -0.55 0.00 0.00 56.30 54.96 1iw4 h ASN 9 Cb 0.00 0.14 -0.22 0.00 0.05 0.00 0.00 38.32 38.29 1iw4 h ASN 9 CO 0.00 -0.12 0.98 -2.16 -1.65 0.00 0.00 177.43 174.48 1iw4 s PRO 10 N -3.87 4.13 1.13 0.81 0.04 -1.26 -5.04 135.00 130.94 1iw4 s PRO 10 Ca -0.11 -2.83 -0.17 0.00 0.04 0.00 0.00 61.00 57.93 1iw4 s PRO 10 Cb 0.01 -4.86 0.18 0.00 0.04 0.00 0.00 34.50 29.87 1iw4 s PRO 10 CO 0.34 -1.56 0.27 1.28 0.04 0.00 0.00 177.00 177.38 1iw4 n LEU 11 N 4.48 -1.70 0.00 -3.56 4.77 -1.26 -3.82 117.00 115.91 1iw4 n LEU 11 Ca 0.31 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1iw4 n LEU 11 Cb 0.41 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1iw4 n LEU 11 CO 0.56 -3.35 0.00 0.00 -1.33 0.00 0.00 177.39 173.27 1iw4 n ARG 13 N 0.00 2.15 -3.58 0.00 3.00 -1.25 -4.75 116.66 112.24 1iw4 n ARG 13 Ca 0.00 -2.18 -0.14 0.00 -0.00 0.00 0.00 57.85 55.53 1iw4 n ARG 13 Cb 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 32.46 30.44 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 5.34 3.66 -2.59 0.00 5.03 -1.26 -4.45 115.26 120.99 1iw4 n ASN 15 Ca -0.06 -0.02 -0.01 0.00 0.87 0.00 0.00 54.58 55.36 1iw4 n ASN 15 Cb 0.50 0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 39.43 1iw4 n ASN 15 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1iw4 n LYS 16 N -2.48 0.15 -1.22 3.52 4.81 -1.26 -4.83 118.16 116.85 1iw4 n LYS 16 Ca -0.09 -0.19 -0.48 0.00 -0.87 0.00 0.00 58.31 56.68 1iw4 n LYS 16 Cb 0.63 -1.65 -0.07 0.00 0.02 0.00 0.00 35.03 33.96 1iw4 n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iw4 n MET 17 N 3.41 0.00 -1.40 1.64 0.00 -1.26 -4.74 117.12 114.77 1iw4 n MET 17 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.34 1iw4 n MET 17 Cb 0.05 -1.06 -0.02 0.00 0.00 0.00 0.00 33.22 32.18 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 2.90 8.44 -2.44 3.17 -0.00 -1.26 -4.58 117.00 123.23 1iw4 n LEU 18 Ca 0.22 -4.34 -0.06 0.00 -0.00 0.00 0.00 56.01 51.83 1iw4 n LEU 18 Cb -0.04 -1.57 -0.00 0.00 -0.00 0.00 0.00 43.42 41.80 1iw4 n LEU 18 CO 0.64 1.91 -0.08 0.61 -0.00 0.00 0.00 177.39 180.47 1iw4 n GLY 19 N 3.63 -0.47 3.77 1.47 0.00 -1.26 -4.91 105.19 107.41 1iw4 n GLY 19 Ca 0.74 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.47 1iw4 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iw4 s ASP 20 N -2.00 2.61 -0.39 1.61 1.01 -1.26 -5.07 116.67 113.17 1iw4 s ASP 20 Ca 0.00 0.67 0.08 0.00 0.71 0.00 0.00 52.55 54.01 1iw4 s ASP 20 Cb 0.00 -1.00 0.18 0.00 1.01 0.00 0.00 42.92 43.11 1iw4 s ASP 20 CO 0.00 -3.08 0.62 -0.22 0.21 0.00 0.00 175.17 172.70 1iw4 s LEU 21 N -6.27 -1.53 0.03 1.23 2.96 -1.26 -4.35 118.68 109.49 1iw4 s LEU 21 Ca 0.69 -0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1iw4 s LEU 21 Cb -0.10 1.96 -0.05 0.00 0.50 0.00 0.00 46.19 48.50 1iw4 s LEU 21 CO 0.54 -0.19 0.31 -0.51 -1.32 0.00 0.00 176.35 175.18 1iw4 s ILE 22 N 1.99 5.24 -0.83 6.68 -1.16 0.17 0.15 121.20 133.44 1iw4 s ILE 22 Ca 0.15 0.23 -0.03 0.00 -0.51 0.00 0.00 60.65 60.49 1iw4 s ILE 22 Cb -0.05 -3.59 0.21 0.00 0.61 0.00 0.00 42.46 39.63 1iw4 s ILE 22 CO -0.10 0.32 0.70 0.00 -2.81 0.00 0.00 174.94 173.06 1iw4 s ALA 24 N -0.89 3.24 0.06 0.00 0.00 0.45 -0.61 121.76 124.00 1iw4 s ALA 24 Ca 0.24 0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.85 1iw4 s ALA 24 Cb -0.11 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1iw4 s ALA 24 CO -0.09 -0.07 -0.17 0.54 0.00 0.00 0.00 175.76 175.97 1iw4 s VAL 25 N 0.14 1.36 -0.48 0.00 0.11 0.19 0.25 120.40 121.97 1iw4 s VAL 25 Ca 0.48 -1.22 0.03 0.00 -2.93 0.00 0.00 61.98 58.34 1iw4 s VAL 25 Cb -0.23 -1.23 0.14 0.00 -1.53 0.00 0.00 36.38 33.53 1iw4 s VAL 25 CO 0.30 -0.01 0.28 0.27 -3.33 0.00 0.00 175.10 172.61 1iw4 s ILE 26 N -0.99 1.60 0.00 7.04 -0.00 -0.33 -2.58 121.20 125.94 1iw4 s ILE 26 Ca 0.03 -2.86 0.00 0.00 -0.00 0.00 0.00 60.65 57.82 1iw4 s ILE 26 Cb -0.09 -2.10 0.00 0.00 -0.00 0.00 0.00 42.46 40.27 1iw4 s ILE 26 CO 0.02 -0.94 0.00 0.61 -0.00 0.00 0.00 174.94 174.64 1iw4 n GLY 27 N 3.23 0.94 0.66 6.27 0.00 -1.26 -2.27 105.19 112.76 1iw4 n GLY 27 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 2.35 -0.16 -3.78 1.61 5.75 -1.26 -5.04 116.55 116.02 1iw4 n ASP 28 Ca 0.00 -1.42 -0.30 0.00 -0.01 0.00 0.00 54.79 53.06 1iw4 n ASP 28 Cb 0.00 0.02 -0.13 0.00 -1.03 0.00 0.00 41.12 39.97 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 2.44 0.06 2.12 0.00 -0.96 -5.11 121.76 120.31 1iw4 s ALA 29 Ca 0.02 -2.75 -0.06 0.00 0.00 0.00 0.00 51.96 49.17 1iw4 s ALA 29 Cb 0.02 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1iw4 s ALA 29 CO -0.01 -2.04 0.31 -1.59 0.00 0.00 0.00 175.76 172.43 1iw4 s LYS 30 N 0.22 3.60 0.21 0.00 -2.85 -1.26 -1.19 119.74 118.47 1iw4 s LYS 30 Ca 0.17 -0.09 -0.19 0.00 -1.00 0.00 0.00 55.97 54.86 1iw4 s LYS 30 Cb -0.25 -2.99 0.03 0.00 -2.06 0.00 0.00 37.83 32.56 1iw4 s LYS 30 CO -0.00 0.58 0.58 -1.21 0.10 0.00 0.00 175.35 175.39 1iw4 s GLU 31 N -2.14 1.44 -0.05 1.78 2.02 0.14 -4.95 118.70 116.94 1iw4 s GLU 31 Ca 0.33 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 1iw4 s GLU 31 Cb -0.13 0.55 -0.04 0.00 0.10 0.00 0.00 34.13 34.62 1iw4 s GLU 31 CO 0.20 -0.63 0.07 -1.21 0.02 0.00 0.00 175.26 173.72 1iw4 s GLU 32 N -3.86 3.13 -0.11 1.61 2.02 -1.26 -0.42 118.70 119.81 1iw4 s GLU 32 Ca 0.08 -0.38 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 1iw4 s GLU 32 Cb -0.02 -2.91 0.03 0.00 0.10 0.00 0.00 34.13 31.33 1iw4 s GLU 32 CO -0.03 0.69 0.32 -1.01 0.02 0.00 0.00 175.26 175.26 1iw4 s HIS 33 N -1.06 -0.33 -0.12 1.61 3.76 0.91 -4.96 115.29 115.09 1iw4 s HIS 33 Ca 0.18 0.80 -0.21 0.00 -0.15 0.00 0.00 55.06 55.68 1iw4 s HIS 33 Cb -0.12 0.12 -0.18 0.00 1.11 0.00 0.00 32.58 33.50 1iw4 s HIS 33 CO 0.08 -0.20 0.57 0.00 -0.85 0.00 0.00 174.74 174.35 1iw4 h ARG 34 N 5.43 -0.01 -3.98 1.40 2.47 -1.86 0.47 114.38 118.31 1iw4 h ARG 34 Ca -0.27 0.00 -0.70 0.00 -1.26 0.00 0.00 59.98 57.75 1iw4 h ARG 34 Cb 1.19 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.48 1iw4 h ARG 34 CO 0.31 0.69 3.10 0.09 0.56 0.00 0.00 179.97 184.73 1iw4 n ASN 35 N -4.67 4.05 -0.02 7.04 3.02 -1.26 -4.30 115.26 119.11 1iw4 n ASN 35 Ca -0.07 -2.81 0.24 0.00 -0.03 0.00 0.00 54.58 51.91 1iw4 n ASN 35 Cb 0.34 -1.60 0.69 0.00 -0.61 0.00 0.00 39.78 38.60 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1iw4 h MET 36 N 6.12 0.00 0.16 3.52 1.85 -1.94 0.45 114.93 125.08 1iw4 h MET 36 Ca 0.57 0.00 -0.30 0.00 -0.61 0.00 0.00 59.70 59.37 1iw4 h MET 36 Cb 0.62 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.67 1iw4 h MET 36 CO 1.89 0.00 -1.31 0.00 -0.40 0.00 0.00 176.91 177.09 1iw4 h ALA 38 N 0.39 1.00 0.00 0.00 0.00 -0.35 -2.54 119.26 117.76 1iw4 h ALA 38 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1iw4 h ALA 38 Cb 2.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1iw4 h ALA 38 CO 0.23 0.00 -0.30 1.25 0.00 0.00 0.00 179.25 180.43 1iw4 h LEU 39 N 0.00 0.00 -1.88 0.00 5.85 -1.27 -2.51 115.31 115.49 1iw4 h LEU 39 Ca 0.00 -0.78 0.12 0.00 0.84 0.00 0.00 57.88 58.05 1iw4 h LEU 39 Cb 0.29 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1iw4 h LEU 39 CO 0.00 1.07 0.34 0.00 -0.34 0.00 0.00 178.44 179.51 1iw4 n GLU 42 N -3.44 2.15 -4.32 0.00 0.00 -0.14 -4.95 120.64 109.94 1iw4 n GLU 42 Ca -0.09 -1.74 -0.30 0.00 0.00 0.00 0.00 57.16 55.03 1iw4 n GLU 42 Cb 1.01 -1.46 -0.03 0.00 0.00 0.00 0.00 31.44 30.96 1iw4 n GLU 42 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1iw4 s HIS 43 N -1.66 1.61 0.75 4.31 3.76 0.29 -5.00 115.29 119.36 1iw4 s HIS 43 Ca 0.35 -0.94 -0.10 0.00 -0.15 0.00 0.00 55.06 54.22 1iw4 s HIS 43 Cb 0.20 -1.74 0.15 0.00 1.11 0.00 0.00 32.58 32.30 1iw4 s HIS 43 CO 0.29 -0.19 0.34 -2.30 -0.85 0.00 0.00 174.74 172.04 1iw4 n PRO 44 N -1.57 -1.31 -0.00 8.40 -0.02 -1.26 -4.67 135.00 134.56 1iw4 n PRO 44 Ca -0.11 -0.58 0.22 0.00 -2.02 0.00 0.00 63.50 61.01 1iw4 n PRO 44 Cb 0.66 -1.09 0.55 0.00 -0.02 0.00 0.00 33.50 33.60 1iw4 n PRO 44 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1iw4 h GLY 45 N -2.26 0.00 0.00 -1.23 0.00 -1.99 -3.38 103.07 94.20 1iw4 h GLY 45 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1iw4 h GLY 45 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1iw4 n GLY 46 N -1.57 -0.00 0.00 4.60 0.00 -1.26 -4.75 105.19 102.20 1iw4 n GLY 46 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 -3.49 1.61 -1.74 -1.26 -1.95 117.46 110.63 1iw4 n PHE 47 Ca 0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.73 1iw4 n PHE 47 Cb 0.00 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 40.95 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 1.11 0.30 3.97 1.03 -1.06 -2.23 118.70 121.82 1iw4 s GLU 48 Ca 0.00 0.03 0.03 0.00 0.03 0.00 0.00 54.97 55.07 1iw4 s GLU 48 Cb 0.00 0.52 -0.04 0.00 -0.80 0.00 0.00 34.13 33.81 1iw4 s GLU 48 CO 0.00 -0.39 0.17 1.52 -1.33 0.00 0.00 175.26 175.22 1iw4 s TYR 49 N -1.97 1.58 -0.44 4.83 -0.85 -1.26 0.54 117.35 119.77 1iw4 s TYR 49 Ca -0.07 -1.39 0.05 0.00 -0.52 0.00 0.00 57.07 55.14 1iw4 s TYR 49 Cb -0.00 -0.82 0.17 0.00 0.38 0.00 0.00 41.96 41.69 1iw4 s TYR 49 CO 0.03 -0.56 0.47 -1.12 -1.52 0.00 0.00 175.55 172.85 1iw4 s SER 50 N -3.36 0.43 0.16 -0.18 0.01 0.22 -4.73 113.70 106.24 1iw4 s SER 50 Ca 0.36 -2.45 -0.34 0.00 1.31 0.00 0.00 55.95 54.84 1iw4 s SER 50 Cb 0.05 0.46 -0.14 0.00 0.21 0.00 0.00 66.02 66.60 1iw4 s SER 50 CO 0.18 -0.14 1.57 0.59 0.41 0.00 0.00 173.24 175.84 1iw4 n ASN 51 N 3.05 3.02 0.00 2.44 4.13 -1.26 -1.49 115.26 125.15 1iw4 n ASN 51 Ca 0.24 1.08 0.00 0.00 1.68 0.00 0.00 54.58 57.58 1iw4 n ASN 51 Cb 0.50 -1.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.33 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 3.37 -0.29 3.76 7.41 0.00 0.39 -4.90 105.19 114.93 1iw4 n GLY 52 Ca 0.17 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 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 3.55 0.00 1.61 0.04 -1.26 -4.49 135.00 134.45 1iw4 s PRO 53 Ca 0.00 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1iw4 s PRO 53 Cb 0.00 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1iw4 s PRO 53 CO 0.00 -0.93 0.00 0.00 0.04 0.00 0.00 177.00 176.11