#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqo n PHE 2 N 0.00 0.00 -2.27 -1.77 -0.00 -1.26 -4.77 117.46 107.39 1iqo n PHE 2 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.02 1iqo n PHE 2 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.46 1iqo n PHE 2 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1iqo s ILE 3 N 0.00 3.87 -0.81 -2.13 1.09 -1.26 -4.95 121.20 117.01 1iqo s ILE 3 Ca 0.00 0.95 -0.21 0.00 -1.10 0.00 0.00 60.65 60.29 1iqo s ILE 3 Cb 0.00 -4.01 0.09 0.00 -1.06 0.00 0.00 42.46 37.49 1iqo s ILE 3 CO 0.00 -0.52 1.09 0.00 -0.10 0.00 0.00 174.94 175.41 1iqo s ALA 4 N 5.23 3.17 0.24 9.38 0.00 -1.26 -5.00 121.76 133.51 1iqo s ALA 4 Ca 0.64 -2.27 0.11 0.00 0.00 0.00 0.00 51.96 50.44 1iqo s ALA 4 Cb -0.18 -4.02 -0.05 0.00 0.00 0.00 0.00 23.12 18.87 1iqo s ALA 4 CO 0.29 -2.96 -0.21 0.95 0.00 0.00 0.00 175.76 173.83 1iqo s THR 5 N 3.60 2.31 -0.10 0.00 -4.23 -1.26 -4.60 115.64 111.37 1iqo s THR 5 Ca 0.29 -2.23 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 1iqo s THR 5 Cb -0.10 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.59 1iqo s THR 5 CO -0.00 -0.33 0.35 -0.22 -0.54 0.00 0.00 174.62 173.88 1iqo s LEU 6 N -3.17 0.66 -0.83 4.79 2.96 -1.08 -5.01 118.68 117.00 1iqo s LEU 6 Ca 0.25 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1iqo s LEU 6 Cb -0.06 1.28 0.25 0.00 0.50 0.00 0.00 46.19 48.17 1iqo s LEU 6 CO 0.12 -0.24 0.92 0.29 -1.32 0.00 0.00 176.35 176.12 1iqo n LYS 7 N 2.33 2.98 -2.05 1.98 5.02 -1.26 -1.06 118.16 126.09 1iqo n LYS 7 Ca -0.16 -4.57 -0.35 0.00 -2.02 0.00 0.00 58.31 51.21 1iqo n LYS 7 Cb 0.57 -2.37 0.02 0.00 -0.02 0.00 0.00 35.03 33.23 1iqo n LYS 7 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1iqo s GLY 8 N -1.49 2.54 -0.30 0.72 0.00 -0.38 -4.95 107.32 103.47 1iqo s GLY 8 Ca 0.33 0.81 -0.01 0.00 0.00 0.00 0.00 44.72 45.84 1iqo s GLY 8 CO -0.03 1.17 0.10 -0.42 0.00 0.00 0.00 173.10 173.92 1iqo s ILE 9 N -1.87 0.75 -0.52 0.90 1.01 -1.26 -2.56 121.20 117.65 1iqo s ILE 9 Ca 0.73 -1.29 -0.17 0.00 0.00 0.00 0.00 60.65 59.92 1iqo s ILE 9 Cb -0.25 -1.56 0.10 0.00 0.01 0.00 0.00 42.46 40.76 1iqo s ILE 9 CO 0.32 -0.66 0.51 -0.36 0.00 0.00 0.00 174.94 174.75 1iqo s PHE 10 N 1.68 3.19 0.46 3.97 0.08 -1.07 -4.88 117.98 121.41 1iqo s PHE 10 Ca 0.09 -1.02 0.08 0.00 0.12 0.00 0.00 56.93 56.20 1iqo s PHE 10 Cb -0.17 -3.57 0.08 0.00 -0.57 0.00 0.00 43.02 38.78 1iqo s PHE 10 CO -0.26 -0.98 0.63 -2.37 -0.10 0.00 0.00 175.22 172.14 1iqo n THR 11 N 5.32 0.00 -1.10 0.64 5.66 -1.26 -2.30 114.28 121.24 1iqo n THR 11 Ca -0.12 -1.56 0.01 0.00 -3.05 0.00 0.00 64.05 59.34 1iqo n THR 11 Cb 0.42 -0.60 -0.01 0.00 -1.55 0.00 0.00 70.33 68.60 1iqo n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iqo n LEU 12 N 0.00 -0.48 -0.20 1.09 -0.00 0.62 -0.35 117.00 117.68 1iqo n LEU 12 Ca 0.13 0.87 0.30 0.00 -0.00 0.00 0.00 56.01 57.31 1iqo n LEU 12 Cb 0.48 -2.04 0.61 0.00 -0.00 0.00 0.00 43.42 42.48 1iqo n LEU 12 CO 0.31 -0.37 1.27 0.07 -0.00 0.00 0.00 177.39 178.68 1iqo h LYS 13 N -0.24 0.00 0.00 1.47 5.09 -1.67 1.48 116.57 122.69 1iqo h LYS 13 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1iqo h LYS 13 Cb 0.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.67 1iqo h LYS 13 CO 0.01 0.00 -0.13 -0.44 -2.09 0.00 0.00 179.45 176.79 1iqo h ASP 14 N 0.00 0.00 0.00 7.07 5.19 -1.89 -3.47 116.42 123.31 1iqo h ASP 14 Ca 0.47 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.85 1iqo h ASP 14 Cb 2.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.93 1iqo h ASP 14 CO -0.00 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.13 1iqo n LEU 15 N -2.57 0.00 -2.80 1.55 -0.00 0.51 -4.71 117.00 108.98 1iqo n LEU 15 Ca 0.04 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.68 1iqo n LEU 15 Cb 0.47 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.93 1iqo n LEU 15 CO 0.33 0.00 1.35 -0.81 -0.00 0.00 0.00 177.39 178.26 1iqo n PRO 16 N 0.00 2.84 0.00 1.47 -0.04 -1.26 -4.57 135.00 133.44 1iqo n PRO 16 Ca 0.00 -3.63 0.00 0.00 -0.04 0.00 0.00 63.50 59.83 1iqo n PRO 16 Cb 0.00 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 1iqo n PRO 16 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iqo n GLU 17 N -0.57 0.00 -0.40 0.54 0.28 -1.26 -2.62 120.64 116.61 1iqo n GLU 17 Ca 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 1iqo n GLU 17 Cb 0.34 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.21 1iqo n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1iqo n GLU 18 N 0.00 0.00 -2.70 3.44 2.13 -1.26 -4.96 120.64 117.29 1iqo n GLU 18 Ca 0.00 -0.13 -0.04 0.00 0.66 0.00 0.00 57.16 57.65 1iqo n GLU 18 Cb 0.00 -0.07 0.03 0.00 0.27 0.00 0.00 31.44 31.66 1iqo n GLU 18 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1iqo n PHE 19 N 0.00 -1.81 -1.56 4.31 7.35 -1.08 -5.13 117.46 119.55 1iqo n PHE 19 Ca 0.00 -0.91 0.00 0.00 -0.76 0.00 0.00 57.45 55.78 1iqo n PHE 19 Cb 0.52 1.23 0.00 0.00 0.35 0.00 0.00 39.48 41.58 1iqo n PHE 19 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1iqo n ARG 20 N 2.68 -4.46 -1.70 -4.13 3.00 -1.26 -4.76 116.66 106.03 1iqo n ARG 20 Ca 0.14 3.30 -0.42 0.00 -0.00 0.00 0.00 57.85 60.86 1iqo n ARG 20 Cb 0.62 -3.69 -0.03 0.00 0.00 0.00 0.00 32.46 29.36 1iqo n ARG 20 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1iqo s PRO 21 N -3.53 4.14 -0.18 -0.14 0.02 -1.26 -4.66 135.00 129.39 1iqo s PRO 21 Ca 0.00 2.58 0.18 0.00 0.02 0.00 0.00 61.00 63.78 1iqo s PRO 21 Cb 0.00 -4.08 -0.26 0.00 0.02 0.00 0.00 34.50 30.18 1iqo s PRO 21 CO 0.00 -0.93 0.10 1.19 -0.33 0.00 0.00 177.00 177.03 1iqo n PHE 22 N 7.28 0.00 0.70 6.54 3.72 -1.26 -4.34 117.46 130.10 1iqo n PHE 22 Ca 0.19 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.71 1iqo n PHE 22 Cb 0.41 -0.95 0.09 0.00 -0.94 0.00 0.00 39.48 38.09 1iqo n PHE 22 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1iqo n VAL 23 N -2.70 0.15 -0.34 -4.37 0.31 -1.26 -4.20 118.33 105.92 1iqo n VAL 23 Ca -0.30 -0.18 0.32 0.00 -0.01 0.00 0.00 64.34 64.17 1iqo n VAL 23 Cb 1.10 0.22 0.68 0.00 -0.91 0.00 0.00 33.84 34.93 1iqo n VAL 23 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1iqo h ASP 24 N 0.00 0.15 -0.62 4.52 3.58 -1.84 0.65 116.42 122.85 1iqo h ASP 24 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1iqo h ASP 24 Cb 0.66 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.70 1iqo h ASP 24 CO 0.00 0.01 0.40 0.10 -2.88 0.00 0.00 179.24 176.88 1iqo h TYR 25 N 0.12 0.79 -0.22 0.28 -0.00 -1.86 -1.16 116.97 114.92 1iqo h TYR 25 Ca 0.60 0.01 -0.11 0.00 -0.00 0.00 0.00 58.73 59.24 1iqo h TYR 25 Cb 2.11 -0.27 -0.01 0.00 -0.00 0.00 0.00 36.73 38.56 1iqo h TYR 25 CO -0.00 0.51 -0.32 -0.22 -0.00 0.00 0.00 178.16 178.13 1iqo h LYS 26 N 0.85 0.46 0.00 0.10 3.64 0.02 0.45 116.57 122.09 1iqo h LYS 26 Ca 0.23 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1iqo h LYS 26 Cb -0.08 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1iqo h LYS 26 CO -0.05 0.73 -0.44 0.00 -2.27 0.00 0.00 179.45 177.42 1iqo h ALA 27 N 1.26 1.23 -0.23 5.00 0.00 -1.10 -3.00 119.26 122.42 1iqo h ALA 27 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1iqo h ALA 27 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1iqo h ALA 27 CO 0.06 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1iqo n GLY 28 N -0.20 3.87 0.36 0.00 0.00 -0.66 -3.73 105.19 104.82 1iqo n GLY 28 Ca -0.02 -0.88 0.18 0.00 0.00 0.00 0.00 46.02 45.30 1iqo n GLY 28 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iqo h LEU 29 N 1.51 0.00 -3.23 0.99 3.38 0.03 -3.33 115.31 114.66 1iqo h LEU 29 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1iqo h LEU 29 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1iqo h LEU 29 CO 0.14 0.00 -0.02 1.21 0.09 0.00 0.00 178.44 179.86 1iqo n GLU 30 N -3.54 0.13 -3.75 1.13 2.13 -1.26 -4.98 120.64 110.51 1iqo n GLU 30 Ca 0.03 -0.13 -0.26 0.00 0.66 0.00 0.00 57.16 57.46 1iqo n GLU 30 Cb 0.43 0.04 0.05 0.00 0.27 0.00 0.00 31.44 32.23 1iqo n GLU 30 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1iqo n LYS 31 N -0.16 -6.24 -0.12 5.31 5.02 -1.25 -4.89 118.16 115.83 1iqo n LYS 31 Ca -0.02 0.69 -0.11 0.00 -2.02 0.00 0.00 58.31 56.85 1iqo n LYS 31 Cb 0.54 -5.58 -0.02 0.00 -0.02 0.00 0.00 35.03 29.94 1iqo n LYS 31 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1iqo h LYS 32 N -2.22 0.65 -0.09 1.97 5.09 -1.88 -3.45 116.57 116.64 1iqo h LYS 32 Ca -0.58 -0.22 0.27 0.00 0.09 0.00 0.00 60.65 60.21 1iqo h LYS 32 Cb 1.37 -0.05 -0.20 0.00 0.10 0.00 0.00 32.23 33.45 1iqo h LYS 32 CO 0.61 0.77 0.17 0.15 -2.09 0.00 0.00 179.45 179.05 1iqo s LYS 33 N -4.95 0.05 -0.72 0.07 -0.14 -1.25 -5.06 119.74 107.75 1iqo s LYS 33 Ca -0.13 0.07 0.01 0.00 -1.36 0.00 0.00 55.97 54.56 1iqo s LYS 33 Cb 0.09 0.04 0.37 0.00 -1.68 0.00 0.00 37.83 36.65 1iqo s LYS 33 CO 0.79 -0.08 1.60 1.28 -0.76 0.00 0.00 175.35 178.17 1iqo n LEU 34 N 5.26 6.30 -5.00 3.17 4.77 -1.26 -4.86 117.00 125.38 1iqo n LEU 34 Ca 0.01 -5.13 -0.18 0.00 -0.03 0.00 0.00 56.01 50.68 1iqo n LEU 34 Cb 0.57 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1iqo n LEU 34 CO -0.17 2.02 0.11 -0.55 -1.33 0.00 0.00 177.39 177.47 1iqo s SER 35 N -2.15 5.77 0.00 -1.43 0.15 -1.26 -5.00 113.70 109.78 1iqo s SER 35 Ca 0.49 -0.34 0.29 0.00 0.70 0.00 0.00 55.95 57.09 1iqo s SER 35 Cb 0.37 -0.87 1.64 0.00 -1.71 0.00 0.00 66.02 65.45 1iqo s SER 35 CO -0.28 -0.63 2.07 0.47 1.20 0.00 0.00 173.24 176.07 1iqo n ASP 36 N -1.77 0.28 -2.06 5.45 8.00 -1.26 -3.46 116.55 121.73 1iqo n ASP 36 Ca 0.05 -1.15 -0.09 0.00 0.71 0.00 0.00 54.79 54.31 1iqo n ASP 36 Cb 0.59 -0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.98 1iqo n ASP 36 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1iqo n ASP 37 N -0.76 4.74 -4.74 -2.24 8.00 -1.26 -3.99 116.55 116.31 1iqo n ASP 37 Ca 0.22 -3.27 -0.40 0.00 0.71 0.00 0.00 54.79 52.05 1iqo n ASP 37 Cb 0.15 -0.76 -0.05 0.00 -0.02 0.00 0.00 41.12 40.44 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1iqo s ASP 38 N -1.03 7.28 0.00 -2.24 -1.08 -1.22 -4.94 116.67 113.44 1iqo s ASP 38 Ca 0.56 1.53 0.00 0.00 -0.52 0.00 0.00 52.55 54.12 1iqo s ASP 38 Cb 0.45 -2.50 -0.00 0.00 -1.46 0.00 0.00 42.92 39.40 1iqo s ASP 38 CO 0.13 -0.02 -0.01 -1.61 0.52 0.00 0.00 175.17 174.18 1iqo s GLU 39 N 0.04 0.10 -0.16 4.34 2.02 -1.25 -0.28 118.70 123.51 1iqo s GLU 39 Ca 0.41 -0.11 -0.07 0.00 0.02 0.00 0.00 54.97 55.21 1iqo s GLU 39 Cb -0.21 -0.04 0.06 0.00 0.10 0.00 0.00 34.13 34.04 1iqo s GLU 39 CO 0.25 0.01 0.36 0.42 0.02 0.00 0.00 175.26 176.31 1iqo s ILE 40 N -0.22 -0.17 -0.36 -1.63 1.01 -0.97 -2.58 121.20 116.28 1iqo s ILE 40 Ca -0.02 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 1iqo s ILE 40 Cb -0.02 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 41.92 1iqo s ILE 40 CO -0.00 0.06 0.21 0.00 0.00 0.00 0.00 174.94 175.21 1iqo s ALA 41 N 1.66 3.33 -0.20 9.38 0.00 -0.78 -2.59 121.76 132.57 1iqo s ALA 41 Ca -0.07 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.24 1iqo s ALA 41 Cb -0.10 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 1iqo s ALA 41 CO -0.11 -1.22 0.02 0.42 0.00 0.00 0.00 175.76 174.87 1iqo s ILE 42 N 1.61 4.18 -0.32 0.00 1.09 -1.06 -2.15 121.20 124.55 1iqo s ILE 42 Ca 0.04 -0.24 0.03 0.00 -1.10 0.00 0.00 60.65 59.38 1iqo s ILE 42 Cb -0.18 -2.89 0.09 0.00 -1.06 0.00 0.00 42.46 38.41 1iqo s ILE 42 CO 0.07 0.43 0.00 -0.63 -0.10 0.00 0.00 174.94 174.72 1iqo s ILE 43 N 0.87 2.32 0.38 2.92 1.09 -0.43 -1.25 121.20 127.10 1iqo s ILE 43 Ca 0.02 -2.07 -0.26 0.00 -1.10 0.00 0.00 60.65 57.24 1iqo s ILE 43 Cb -0.14 -2.58 -0.09 0.00 -1.06 0.00 0.00 42.46 38.59 1iqo s ILE 43 CO 0.02 -0.40 1.11 -0.44 -0.10 0.00 0.00 174.94 175.13 1iqo s SER 44 N 1.02 6.75 0.00 3.58 0.01 -0.22 -1.83 113.70 123.02 1iqo s SER 44 Ca 0.04 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.51 1iqo s SER 44 Cb -0.20 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1iqo s SER 44 CO -0.07 -0.50 0.00 2.30 0.41 0.00 0.00 173.24 175.38 1iqo n ILE 45 N 0.23 0.00 -3.53 1.44 -0.00 -1.26 -2.65 119.36 113.59 1iqo n ILE 45 Ca 0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.50 1iqo n ILE 45 Cb 0.47 -0.13 -0.15 0.00 -0.00 0.00 0.00 39.64 39.83 1iqo n ILE 45 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1iqo s LYS 46 N -1.22 0.25 0.35 6.28 3.01 -1.26 -4.73 119.74 122.42 1iqo s LYS 46 Ca 0.00 -0.65 0.09 0.00 -1.01 0.00 0.00 55.97 54.40 1iqo s LYS 46 Cb 0.00 -1.20 0.84 0.00 -1.01 0.00 0.00 37.83 36.46 1iqo s LYS 46 CO 0.00 -1.05 1.85 0.78 0.51 0.00 0.00 175.35 177.44 1iqo h GLY 47 N 8.21 1.27 1.84 -3.33 0.00 -1.96 0.36 103.07 109.45 1iqo h GLY 47 Ca -0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1iqo h GLY 47 CO 0.42 0.05 -0.31 0.00 0.00 0.00 0.00 176.54 176.69 1iqo h THR 48 N 0.67 1.26 0.00 4.70 1.03 -2.01 -3.35 112.91 115.21 1iqo h THR 48 Ca 0.48 -1.24 0.00 0.00 -0.01 0.00 0.00 66.41 65.64 1iqo h THR 48 Cb 0.82 1.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.44 1iqo h THR 48 CO -0.23 0.37 0.00 0.00 -0.01 0.00 0.00 175.52 175.65 1iqo n GLN 49 N -4.12 0.00 0.00 0.00 1.13 0.11 -5.02 117.38 109.48 1iqo n GLN 49 Ca -0.01 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1iqo n GLN 49 Cb 0.40 -0.61 0.00 0.00 0.11 0.00 0.00 30.24 30.14 1iqo n GLN 49 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1iqo n SER 50 N -0.68 0.00 -0.32 1.08 7.64 -0.13 -5.08 113.62 116.13 1iqo n SER 50 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1iqo n SER 50 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1iqo n SER 50 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1iqo n ASN 51 N 0.00 -2.27 -3.44 6.43 3.02 -1.15 -4.69 115.26 113.15 1iqo n ASN 51 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 1iqo n ASN 51 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1iqo s HIS 52 N 0.00 0.28 0.24 3.10 3.76 -0.76 -4.74 115.29 117.17 1iqo s HIS 52 Ca 0.00 -1.16 -0.24 0.00 -0.15 0.00 0.00 55.06 53.50 1iqo s HIS 52 Cb 0.00 -0.73 -0.09 0.00 1.11 0.00 0.00 32.58 32.87 1iqo s HIS 52 CO 0.00 -0.87 0.84 0.54 -0.85 0.00 0.00 174.74 174.39 1iqo s VAL 53 N 1.45 4.34 -0.06 -0.90 0.11 -1.26 -1.31 120.40 122.76 1iqo s VAL 53 Ca 0.16 1.67 -0.03 0.00 -2.93 0.00 0.00 61.98 60.85 1iqo s VAL 53 Cb -0.19 -4.04 0.04 0.00 -1.53 0.00 0.00 36.38 30.66 1iqo s VAL 53 CO -0.09 0.30 0.14 -0.22 -3.33 0.00 0.00 175.10 171.89 1iqo s LEU 54 N -1.70 0.76 0.46 2.54 1.98 -0.91 -4.96 118.68 116.84 1iqo s LEU 54 Ca 0.43 0.28 -0.23 0.00 -2.89 0.00 0.00 54.13 51.72 1iqo s LEU 54 Cb -0.20 0.33 -0.07 0.00 0.66 0.00 0.00 46.19 46.90 1iqo s LEU 54 CO 0.25 -0.15 1.16 0.12 -1.89 0.00 0.00 176.35 175.84 1iqo s PHE 55 N 1.15 2.89 0.01 5.38 5.36 -1.26 -1.86 117.98 129.65 1iqo s PHE 55 Ca -0.09 1.54 0.01 0.00 -0.96 0.00 0.00 56.93 57.43 1iqo s PHE 55 Cb -0.12 -3.37 -0.01 0.00 -0.34 0.00 0.00 43.02 39.18 1iqo s PHE 55 CO -0.06 -1.47 -0.05 -1.17 -1.46 0.00 0.00 175.22 171.01 1iqo s LEU 56 N -3.01 2.10 0.00 6.12 2.96 -1.06 -4.75 118.68 121.03 1iqo s LEU 56 Ca 0.63 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1iqo s LEU 56 Cb -0.28 -0.15 0.00 0.00 0.50 0.00 0.00 46.19 46.25 1iqo s LEU 56 CO 0.34 -0.06 0.00 -1.20 -1.32 0.00 0.00 176.35 174.12 1iqo n SER 57 N 2.44 0.00 -3.65 3.68 7.64 -1.26 -3.96 113.62 118.52 1iqo n SER 57 Ca -0.16 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.69 1iqo n SER 57 Cb 0.57 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.56 1iqo n SER 57 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1iqo s SER 58 N -1.89 -0.08 0.00 6.43 1.04 -1.26 -4.60 113.70 113.34 1iqo s SER 58 Ca 0.00 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1iqo s SER 58 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1iqo s SER 58 CO 0.00 -0.03 0.00 0.00 0.98 0.00 0.00 173.24 174.19 1iqo n TYR 59 N 1.79 -0.49 -2.48 5.02 9.36 -1.26 -5.04 117.16 124.06 1iqo n TYR 59 Ca -0.11 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.90 1iqo n TYR 59 Cb 0.57 0.36 -0.00 0.00 -0.63 0.00 0.00 39.34 39.63 1iqo n TYR 59 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1iqo n ASN 60 N -2.22 -5.83 -3.60 2.98 5.15 -1.26 -4.97 115.26 105.51 1iqo n ASN 60 Ca 0.00 -0.06 -0.16 0.00 -0.60 0.00 0.00 54.58 53.76 1iqo n ASN 60 Cb 0.00 -4.82 -0.07 0.00 -0.53 0.00 0.00 39.78 34.36 1iqo n ASN 60 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1iqo s SER 61 N -2.18 -0.51 -0.22 1.20 0.01 -1.26 -5.15 113.70 105.58 1iqo s SER 61 Ca 0.05 0.55 -0.00 0.00 1.31 0.00 0.00 55.95 57.85 1iqo s SER 61 Cb -0.02 0.50 0.03 0.00 0.21 0.00 0.00 66.02 66.74 1iqo s SER 61 CO 0.06 -0.54 -0.12 0.68 0.41 0.00 0.00 173.24 173.72 1iqo s VAL 62 N -1.16 2.48 0.00 3.43 -7.23 -1.26 -4.76 120.40 111.90 1iqo s VAL 62 Ca -0.11 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1iqo s VAL 62 Cb -0.02 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.73 1iqo s VAL 62 CO 0.08 0.33 0.00 -0.90 -0.31 0.00 0.00 175.10 174.29 1iqo n ASP 63 N 4.62 0.00 0.03 4.85 5.68 -1.26 -4.96 116.55 125.52 1iqo n ASP 63 Ca -0.18 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 53.89 1iqo n ASP 63 Cb 0.48 0.01 -0.14 0.00 -1.14 0.00 0.00 41.12 40.32 1iqo n ASP 63 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1iqo h GLU 64 N 0.00 0.30 -0.07 0.11 5.08 -1.99 -3.06 114.58 114.94 1iqo h GLU 64 Ca 0.00 -0.51 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 1iqo h GLU 64 Cb 0.00 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1iqo h GLU 64 CO 0.00 1.24 -0.10 0.97 -1.00 0.00 0.00 179.01 180.13 1iqo h ILE 65 N -0.17 1.12 -0.00 3.13 2.10 -1.94 -1.52 117.51 120.23 1iqo h ILE 65 Ca -0.31 -0.51 -0.02 0.00 1.08 0.00 0.00 64.86 65.10 1iqo h ILE 65 Cb 1.87 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 38.77 1iqo h ILE 65 CO 0.10 0.16 -0.06 -0.09 -1.08 0.00 0.00 178.15 177.17 1iqo h ARG 66 N 0.11 0.05 -0.16 2.19 1.12 -1.86 -2.57 114.38 113.25 1iqo h ARG 66 Ca 0.02 -0.05 0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1iqo h ARG 66 Cb 0.24 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.21 1iqo h ARG 66 CO 0.01 0.81 0.11 -0.22 -3.11 0.00 0.00 179.97 177.58 1iqo h LYS 67 N -0.71 0.19 0.20 0.20 3.64 -1.41 0.67 116.57 119.36 1iqo h LYS 67 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1iqo h LYS 67 Cb 0.84 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1iqo h LYS 67 CO 0.01 0.13 -0.10 1.49 -2.27 0.00 0.00 179.45 178.71 1iqo h GLU 68 N 0.20 -0.26 0.04 1.90 4.57 -1.32 -2.87 114.58 116.84 1iqo h GLU 68 Ca 0.06 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1iqo h GLU 68 Cb 0.00 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1iqo h GLU 68 CO -0.01 0.12 -0.02 1.25 -1.18 0.00 0.00 179.01 179.17 1iqo h LEU 69 N -0.89 -0.05 -1.32 1.64 5.85 -1.27 -2.52 115.31 116.76 1iqo h LEU 69 Ca -0.03 -0.05 0.19 0.00 0.84 0.00 0.00 57.88 58.83 1iqo h LEU 69 Cb 0.50 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 1iqo h LEU 69 CO 0.05 0.02 0.61 1.05 -0.34 0.00 0.00 178.44 179.83 1iqo h GLU 70 N -0.11 0.54 -0.53 1.25 4.11 -1.00 0.74 114.58 119.58 1iqo h GLU 70 Ca -0.01 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 1iqo h GLU 70 Cb 0.10 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1iqo h GLU 70 CO 0.01 0.36 0.15 1.49 0.07 0.00 0.00 179.01 181.09 1iqo h GLU 71 N 0.56 0.83 0.00 1.06 4.57 -1.22 -2.77 114.58 117.60 1iqo h GLU 71 Ca 0.51 -0.19 -0.09 0.00 -1.18 0.00 0.00 59.36 58.41 1iqo h GLU 71 Cb 1.04 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1iqo h GLU 71 CO -0.25 0.77 -0.45 0.00 -1.18 0.00 0.00 179.01 177.90 1iqo h ALA 72 N 1.02 0.72 0.64 2.92 0.00 -0.57 -2.99 119.26 121.00 1iqo h ALA 72 Ca 0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1iqo h ALA 72 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1iqo h ALA 72 CO -0.00 0.56 -0.48 0.78 0.00 0.00 0.00 179.25 180.11 1iqo h GLY 73 N 3.44 -1.26 -3.54 0.00 0.00 0.66 -3.44 103.07 98.93 1iqo h GLY 73 Ca -0.00 0.55 -0.04 0.00 0.00 0.00 0.00 47.33 47.83 1iqo h GLY 73 CO 0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 176.54 176.14 1iqo n ALA 74 N -2.75 -0.97 -1.03 3.60 0.00 -1.17 -4.89 120.51 113.29 1iqo n ALA 74 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1iqo n ALA 74 Cb 0.47 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1iqo n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1iqo n LYS 75 N -0.36 0.00 0.00 0.00 3.00 -1.13 -4.98 118.16 114.68 1iqo n LYS 75 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1iqo n LYS 75 Cb 0.59 -0.23 0.00 0.00 0.00 0.00 0.00 35.03 35.39 1iqo n LYS 75 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1iqo n ILE 76 N -0.28 0.00 -3.52 3.15 -5.35 -1.26 -5.11 119.36 106.99 1iqo n ILE 76 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 1iqo n ILE 76 Cb 0.00 -0.89 -0.02 0.00 -1.74 0.00 0.00 39.64 36.99 1iqo n ILE 76 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1iqo s ASN 77 N -0.98 -0.36 0.67 7.28 4.22 -1.26 -5.16 114.94 119.35 1iqo s ASN 77 Ca 0.00 -0.04 -0.01 0.00 -2.14 0.00 0.00 52.86 50.67 1iqo s ASN 77 Cb 0.00 0.41 0.09 0.00 1.28 0.00 0.00 41.25 43.03 1iqo s ASN 77 CO 0.00 -0.67 0.93 -1.00 -2.04 0.00 0.00 177.10 174.32 1iqo s HIS 78 N -3.18 2.15 -0.44 1.54 3.76 -1.26 -4.97 115.29 112.88 1iqo s HIS 78 Ca 0.05 -0.10 0.07 0.00 -0.15 0.00 0.00 55.06 54.94 1iqo s HIS 78 Cb -0.01 -2.96 0.41 0.00 1.11 0.00 0.00 32.58 31.13 1iqo s HIS 78 CO -0.08 -1.43 1.05 -2.37 -0.85 0.00 0.00 174.74 171.05 1iqo n THR 79 N -2.71 2.19 0.00 1.30 5.66 -1.26 -5.03 114.28 114.44 1iqo n THR 79 Ca 0.12 -4.76 0.00 0.00 -3.05 0.00 0.00 64.05 56.36 1iqo n THR 79 Cb 0.60 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 1iqo n THR 79 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1iqo n THR 80 N -0.35 0.00 -2.25 1.09 -1.04 -1.26 -1.39 114.28 109.08 1iqo n THR 80 Ca 0.33 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.33 1iqo n THR 80 Cb 0.64 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.13 1iqo n THR 80 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1iqo n LEU 81 N 0.00 0.12 -0.01 -4.42 4.77 -1.26 -4.95 117.00 111.25 1iqo n LEU 81 Ca 0.00 -1.90 -0.08 0.00 -0.03 0.00 0.00 56.01 54.00 1iqo n LEU 81 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1iqo n LEU 81 CO 0.00 0.90 0.24 0.50 -1.33 0.00 0.00 177.39 177.70 1iqo h LYS 82 N 0.51 -0.10 -0.43 3.23 3.11 -1.66 -2.70 116.57 118.53 1iqo h LYS 82 Ca -0.34 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 57.60 1iqo h LYS 82 Cb 1.64 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.87 1iqo h LYS 82 CO -0.06 0.30 0.30 -0.84 -2.81 0.00 0.00 179.45 176.34 1iqo h ILE 83 N -0.97 0.87 -0.02 2.00 3.07 -1.93 0.99 117.51 121.52 1iqo h ILE 83 Ca -0.01 -0.06 -0.16 0.00 1.55 0.00 0.00 64.86 66.18 1iqo h ILE 83 Cb 0.45 0.68 -0.01 0.00 -0.27 0.00 0.00 36.82 37.67 1iqo h ILE 83 CO 0.02 0.03 -0.72 -0.07 -1.05 0.00 0.00 178.15 176.36 1iqo h LEU 84 N 0.17 0.17 -0.22 0.16 4.07 -1.92 0.86 115.31 118.61 1iqo h LEU 84 Ca 0.20 -0.12 -0.09 0.00 0.08 0.00 0.00 57.88 57.95 1iqo h LEU 84 Cb 0.56 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1iqo h LEU 84 CO -0.03 0.84 -0.42 -0.08 -1.08 0.00 0.00 178.44 177.67 1iqo h GLU 85 N 0.09 0.00 0.00 1.13 4.81 -0.54 -0.24 114.58 119.84 1iqo h GLU 85 Ca -0.02 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1iqo h GLU 85 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1iqo h GLU 85 CO 0.11 0.42 -1.91 0.41 -0.73 0.00 0.00 179.01 177.30 1iqo n GLY 86 N 1.00 -0.87 0.39 1.92 0.00 -0.13 -4.72 105.19 102.78 1iqo n GLY 86 Ca 0.02 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 1iqo n GLY 86 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1iqo n HIS 87 N -2.22 0.00 0.99 1.61 -0.00 0.30 -5.07 115.22 110.83 1iqo n HIS 87 Ca -0.07 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.73 1iqo n HIS 87 Cb 0.57 -0.55 0.47 0.00 -0.00 0.00 0.00 29.99 30.48 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23