#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 -2.50 1.47 -1.74 -1.26 -5.10 117.46 108.33 1iqo n PHE 2 Ca 0.00 -0.36 -0.40 0.00 -0.56 0.00 0.00 57.45 56.13 1iqo n PHE 2 Cb 0.00 -0.09 -0.04 0.00 1.52 0.00 0.00 39.48 40.87 1iqo n PHE 2 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1iqo s ILE 3 N 0.00 3.55 -0.49 1.97 -1.09 -1.26 -5.02 121.20 118.86 1iqo s ILE 3 Ca 0.23 1.53 0.02 0.00 -2.23 0.00 0.00 60.65 60.20 1iqo s ILE 3 Cb 0.26 -3.96 0.13 0.00 -1.58 0.00 0.00 42.46 37.31 1iqo s ILE 3 CO -0.11 0.34 0.25 0.00 -1.23 0.00 0.00 174.94 174.19 1iqo s ALA 4 N -1.21 3.27 -1.12 9.38 0.00 -1.26 -5.01 121.76 125.82 1iqo s ALA 4 Ca 0.45 -3.03 -0.07 0.00 0.00 0.00 0.00 51.96 49.31 1iqo s ALA 4 Cb -0.31 -2.27 0.28 0.00 0.00 0.00 0.00 23.12 20.82 1iqo s ALA 4 CO 0.39 -1.94 1.38 0.25 0.00 0.00 0.00 175.76 175.84 1iqo n THR 5 N 3.61 4.92 -2.33 0.00 -2.24 -1.26 -4.02 114.28 112.96 1iqo n THR 5 Ca 0.05 -5.55 -0.33 0.00 -2.27 0.00 0.00 64.05 55.95 1iqo n THR 5 Cb 0.37 -2.31 -0.02 0.00 -2.10 0.00 0.00 70.33 66.27 1iqo n THR 5 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1iqo s LEU 6 N -1.78 3.66 -0.48 3.22 2.96 -0.90 -4.96 118.68 120.39 1iqo s LEU 6 Ca 0.32 1.76 0.06 0.00 -0.22 0.00 0.00 54.13 56.06 1iqo s LEU 6 Cb -0.01 -4.53 0.21 0.00 0.50 0.00 0.00 46.19 42.36 1iqo s LEU 6 CO 0.02 -0.84 0.71 2.29 -1.32 0.00 0.00 176.35 177.22 1iqo n LYS 7 N -1.53 0.59 -1.95 1.98 0.00 -1.26 -2.28 118.16 113.71 1iqo n LYS 7 Ca 0.08 -2.19 -0.42 0.00 -0.00 0.00 0.00 58.31 55.78 1iqo n LYS 7 Cb 0.53 -1.47 -0.03 0.00 -0.00 0.00 0.00 35.03 34.06 1iqo n LYS 7 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1iqo s GLY 8 N -0.24 0.59 -1.16 2.58 0.00 -0.88 -4.89 107.32 103.32 1iqo s GLY 8 Ca 0.31 0.13 -0.22 0.00 0.00 0.00 0.00 44.72 44.95 1iqo s GLY 8 CO -0.14 3.39 1.85 -0.26 0.00 0.00 0.00 173.10 177.95 1iqo s ILE 9 N 7.72 3.71 0.21 0.90 -4.36 -1.26 -2.78 121.20 125.34 1iqo s ILE 9 Ca 0.80 -1.09 -0.30 0.00 -0.26 0.00 0.00 60.65 59.81 1iqo s ILE 9 Cb -0.21 -4.69 -0.09 0.00 1.25 0.00 0.00 42.46 38.72 1iqo s ILE 9 CO 0.31 -1.32 1.28 -0.36 0.24 0.00 0.00 174.94 175.10 1iqo s PHE 10 N 8.72 3.27 0.02 1.37 0.40 -0.18 -4.96 117.98 126.62 1iqo s PHE 10 Ca 0.63 1.29 0.01 0.00 -0.60 0.00 0.00 56.93 58.26 1iqo s PHE 10 Cb -0.00 -3.57 -0.01 0.00 0.51 0.00 0.00 43.02 39.94 1iqo s PHE 10 CO 0.08 -1.73 -0.04 0.95 0.70 0.00 0.00 175.22 175.19 1iqo s THR 11 N -0.10 0.23 0.00 0.64 -4.23 -1.26 -0.63 115.64 110.28 1iqo s THR 11 Ca 0.55 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1iqo s THR 11 Cb -0.36 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.18 1iqo s THR 11 CO 0.40 -0.30 0.00 0.00 -0.54 0.00 0.00 174.62 174.18 1iqo n LEU 12 N 2.03 0.00 0.27 4.79 -0.00 0.31 0.28 117.00 124.68 1iqo n LEU 12 Ca -0.20 0.00 0.16 0.00 -0.00 0.00 0.00 56.01 55.97 1iqo n LEU 12 Cb 0.56 0.00 0.70 0.00 -0.00 0.00 0.00 43.42 44.69 1iqo n LEU 12 CO 0.22 -0.06 0.98 0.11 -0.00 0.00 0.00 177.39 178.64 1iqo h LYS 13 N 0.00 0.00 -0.52 1.47 1.79 -1.82 -2.27 116.57 115.23 1iqo h LYS 13 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1iqo h LYS 13 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1iqo h LYS 13 CO 0.00 0.05 0.00 -0.25 -1.08 0.00 0.00 179.45 178.17 1iqo n ASP 14 N -3.19 1.89 0.25 0.86 8.00 -1.20 -4.17 116.55 119.00 1iqo n ASP 14 Ca -0.00 -2.14 0.17 0.00 0.71 0.00 0.00 54.79 53.53 1iqo n ASP 14 Cb 0.30 -0.34 0.73 0.00 -0.02 0.00 0.00 41.12 41.78 1iqo n ASP 14 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1iqo h LEU 15 N 1.41 0.00 -4.42 0.64 -0.00 0.45 -3.34 115.31 110.05 1iqo h LEU 15 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.52 1iqo h LEU 15 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 1iqo h LEU 15 CO 0.07 0.00 1.22 -2.65 -0.00 0.00 0.00 178.44 177.08 1iqo n PRO 16 N -2.87 2.55 -2.26 0.17 -0.02 -1.26 -4.56 135.00 126.74 1iqo n PRO 16 Ca 0.00 -1.41 -0.34 0.00 -2.02 0.00 0.00 63.50 59.74 1iqo n PRO 16 Cb 0.24 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 1iqo n PRO 16 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1iqo s GLU 17 N 1.54 3.06 0.00 -0.52 2.12 -1.25 -3.01 118.70 120.63 1iqo s GLU 17 Ca 0.66 -1.43 0.00 0.00 0.36 0.00 0.00 54.97 54.56 1iqo s GLU 17 Cb 0.26 -5.34 0.00 0.00 0.26 0.00 0.00 34.13 29.30 1iqo s GLU 17 CO -0.02 -3.30 0.00 -1.91 -0.54 0.00 0.00 175.26 169.49 1iqo n GLU 18 N 8.36 0.00 0.00 4.30 2.13 -1.26 -5.08 120.64 129.10 1iqo n GLU 18 Ca 0.46 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1iqo n GLU 18 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 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 -0.14 -0.11 -4.03 4.31 7.35 -1.16 -5.18 117.46 118.50 1iqo n PHE 19 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 1iqo n PHE 19 Cb 0.00 0.02 -0.05 0.00 0.35 0.00 0.00 39.48 39.80 1iqo n PHE 19 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1iqo s ARG 20 N -0.07 1.64 -0.92 -4.13 0.52 -1.26 -5.07 118.95 109.66 1iqo s ARG 20 Ca 0.00 -1.42 -0.18 0.00 -0.52 0.00 0.00 55.73 53.61 1iqo s ARG 20 Cb 0.00 0.45 -0.26 0.00 0.52 0.00 0.00 34.95 35.67 1iqo s ARG 20 CO 0.00 -0.68 2.33 -2.30 0.02 0.00 0.00 175.30 174.68 1iqo n PRO 21 N -0.42 0.19 0.00 3.54 -0.02 -1.26 -4.75 135.00 132.28 1iqo n PRO 21 Ca -0.01 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1iqo n PRO 21 Cb 0.62 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1iqo n PRO 21 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1iqo n PHE 22 N 9.99 0.00 0.21 6.00 7.35 -1.26 -4.27 117.46 135.47 1iqo n PHE 22 Ca 0.61 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 57.40 1iqo n PHE 22 Cb 0.21 -0.15 0.52 0.00 0.35 0.00 0.00 39.48 40.41 1iqo n PHE 22 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1iqo n VAL 23 N -1.35 1.07 -0.25 -2.13 0.24 -1.26 -2.60 118.33 112.06 1iqo n VAL 23 Ca 0.00 0.60 0.32 0.00 -2.04 0.00 0.00 64.34 63.22 1iqo n VAL 23 Cb 0.00 -1.58 0.71 0.00 -1.47 0.00 0.00 33.84 31.50 1iqo n VAL 23 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1iqo h ASP 24 N 0.00 0.00 -0.24 -1.34 1.82 -1.94 0.91 116.42 115.64 1iqo h ASP 24 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1iqo h ASP 24 Cb 0.09 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 1iqo h ASP 24 CO 0.00 0.00 0.09 0.10 -1.61 0.00 0.00 179.24 177.82 1iqo h TYR 25 N 0.00 0.43 0.00 0.28 -0.00 -1.75 0.31 116.97 116.24 1iqo h TYR 25 Ca 0.50 -0.02 -0.19 0.00 0.00 0.00 0.00 58.73 59.03 1iqo h TYR 25 Cb 2.24 -0.14 -0.03 0.00 0.00 0.00 0.00 36.73 38.81 1iqo h TYR 25 CO 0.00 0.37 -0.88 -0.22 -0.00 0.00 0.00 178.16 177.43 1iqo h LYS 26 N 0.43 0.00 0.00 0.10 3.64 0.59 1.17 116.57 122.51 1iqo h LYS 26 Ca 0.11 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1iqo h LYS 26 Cb 0.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1iqo h LYS 26 CO -0.01 0.88 -0.16 0.00 -2.27 0.00 0.00 179.45 177.89 1iqo h ALA 27 N 1.12 0.92 -0.24 5.00 0.00 -0.88 -3.34 119.26 121.85 1iqo h ALA 27 Ca -0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 1iqo h ALA 27 Cb 1.67 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 19.06 1iqo h ALA 27 CO 0.11 0.20 -1.02 0.41 0.00 0.00 0.00 179.25 178.95 1iqo n GLY 28 N 0.83 1.47 0.42 0.00 0.00 0.98 -4.43 105.19 104.46 1iqo n GLY 28 Ca 0.02 -0.91 0.21 0.00 0.00 0.00 0.00 46.02 45.35 1iqo n GLY 28 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1iqo h LEU 29 N 1.86 0.00 -5.10 0.99 -0.00 0.13 -3.14 115.31 110.05 1iqo h LEU 29 Ca -0.20 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.42 1iqo h LEU 29 Cb 1.51 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 42.00 1iqo h LEU 29 CO 0.12 0.00 -0.55 1.21 -0.00 0.00 0.00 178.44 179.22 1iqo n GLU 30 N -3.37 0.79 -4.11 0.17 2.13 -1.26 -4.96 120.64 110.03 1iqo n GLU 30 Ca 0.11 -1.89 -0.32 0.00 0.66 0.00 0.00 57.16 55.71 1iqo n GLU 30 Cb 0.91 -1.41 -0.02 0.00 0.27 0.00 0.00 31.44 31.19 1iqo n GLU 30 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1iqo n LYS 31 N 1.52 -3.48 0.00 5.31 2.85 -1.19 -4.80 118.16 118.37 1iqo n LYS 31 Ca 0.10 0.41 0.07 0.00 -1.05 0.00 0.00 58.31 57.83 1iqo n LYS 31 Cb 0.63 -4.96 0.40 0.00 -0.65 0.00 0.00 35.03 30.45 1iqo n LYS 31 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1iqo n LYS 32 N -4.43 0.72 -0.32 -1.58 4.81 -1.26 -4.96 118.16 111.13 1iqo n LYS 32 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1iqo n LYS 32 Cb 0.56 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.31 1iqo n LYS 32 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1iqo n LYS 33 N -0.79 -0.90 -3.45 1.64 5.02 -1.26 -4.93 118.16 113.48 1iqo n LYS 33 Ca 0.10 0.66 -0.43 0.00 -2.02 0.00 0.00 58.31 56.61 1iqo n LYS 33 Cb 0.05 -0.73 -0.09 0.00 -0.02 0.00 0.00 35.03 34.24 1iqo n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1iqo s LEU 34 N -1.40 5.23 0.72 -0.35 2.01 -1.26 -4.80 118.68 118.83 1iqo s LEU 34 Ca 0.00 -1.02 -0.04 0.00 0.01 0.00 0.00 54.13 53.08 1iqo s LEU 34 Cb 0.00 -2.16 0.10 0.00 0.01 0.00 0.00 46.19 44.14 1iqo s LEU 34 CO 0.00 -0.50 1.00 -0.44 1.01 0.00 0.00 176.35 177.42 1iqo s SER 35 N 1.92 4.46 -0.08 2.29 0.01 -1.26 -5.04 113.70 116.01 1iqo s SER 35 Ca 0.05 -0.04 0.11 0.00 1.31 0.00 0.00 55.95 57.38 1iqo s SER 35 Cb -0.20 -0.45 -0.16 0.00 0.21 0.00 0.00 66.02 65.42 1iqo s SER 35 CO 0.09 -1.78 0.12 -0.67 0.41 0.00 0.00 173.24 171.41 1iqo n ASP 36 N -2.88 2.22 0.08 2.44 -0.08 -1.26 -4.09 116.55 112.97 1iqo n ASP 36 Ca 0.12 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.52 1iqo n ASP 36 Cb 0.60 1.06 0.19 0.00 2.34 0.00 0.00 41.12 45.31 1iqo n ASP 36 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1iqo h ASP 37 N 0.00 0.00 -3.48 1.67 1.82 -1.98 -3.39 116.42 111.06 1iqo h ASP 37 Ca -0.20 -0.15 -0.54 0.00 -0.39 0.00 0.00 57.03 55.75 1iqo h ASP 37 Cb 1.28 0.00 0.20 0.00 0.68 0.00 0.00 39.33 41.49 1iqo h ASP 37 CO 0.01 0.08 -0.35 0.47 -1.61 0.00 0.00 179.24 177.83 1iqo n ASP 38 N -2.24 -1.23 -3.71 2.28 9.92 -1.26 -4.68 116.55 115.63 1iqo n ASP 38 Ca 0.03 0.46 -0.14 0.00 -0.53 0.00 0.00 54.79 54.62 1iqo n ASP 38 Cb 0.45 -1.26 -0.08 0.00 -0.64 0.00 0.00 41.12 39.59 1iqo n ASP 38 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1iqo s GLU 39 N -3.42 0.71 0.05 -1.24 8.01 -1.14 0.11 118.70 121.79 1iqo s GLU 39 Ca 0.63 0.02 0.04 0.00 0.01 0.00 0.00 54.97 55.67 1iqo s GLU 39 Cb -0.27 0.32 -0.02 0.00 -4.31 0.00 0.00 34.13 29.85 1iqo s GLU 39 CO 0.61 -0.19 -0.12 0.42 0.01 0.00 0.00 175.26 175.99 1iqo s ILE 40 N -1.03 0.95 -0.22 -1.63 -1.09 0.20 -1.83 121.20 116.54 1iqo s ILE 40 Ca -0.11 -1.09 0.01 0.00 -2.23 0.00 0.00 60.65 57.23 1iqo s ILE 40 Cb -0.04 -0.91 0.03 0.00 -1.58 0.00 0.00 42.46 39.96 1iqo s ILE 40 CO 0.05 -0.16 -0.13 0.00 -1.23 0.00 0.00 174.94 173.47 1iqo s ALA 41 N -1.09 2.52 -0.43 9.38 0.00 -0.29 -1.01 121.76 130.85 1iqo s ALA 41 Ca -0.02 -1.44 -0.07 0.00 0.00 0.00 0.00 51.96 50.43 1iqo s ALA 41 Cb -0.09 -1.46 0.10 0.00 0.00 0.00 0.00 23.12 21.67 1iqo s ALA 41 CO 0.01 -0.72 0.26 0.42 0.00 0.00 0.00 175.76 175.73 1iqo s ILE 42 N 1.25 3.89 -0.03 0.00 -1.09 -1.12 -0.56 121.20 123.54 1iqo s ILE 42 Ca -0.00 -1.74 -0.07 0.00 -2.23 0.00 0.00 60.65 56.61 1iqo s ILE 42 Cb -0.16 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1iqo s ILE 42 CO -0.08 -0.65 0.24 -0.63 -1.23 0.00 0.00 174.94 172.59 1iqo s ILE 43 N 1.31 5.35 0.02 2.92 -1.09 -1.01 -2.07 121.20 126.62 1iqo s ILE 43 Ca 0.05 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1iqo s ILE 43 Cb -0.24 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.09 1iqo s ILE 43 CO -0.01 0.46 -0.03 -0.94 -1.23 0.00 0.00 174.94 173.19 1iqo s SER 44 N -1.46 0.22 0.19 3.58 1.04 -0.97 -2.79 113.70 113.51 1iqo s SER 44 Ca 0.23 -0.39 -0.17 0.00 0.48 0.00 0.00 55.95 56.10 1iqo s SER 44 Cb -0.13 0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.09 1iqo s SER 44 CO 0.12 -0.23 0.51 0.27 0.98 0.00 0.00 173.24 174.89 1iqo s ILE 45 N -1.13 0.03 -0.68 -1.02 -4.36 -1.26 -2.11 121.20 110.68 1iqo s ILE 45 Ca -0.12 -0.79 -0.19 0.00 -0.26 0.00 0.00 60.65 59.29 1iqo s ILE 45 Cb -0.08 -1.56 -0.16 0.00 1.25 0.00 0.00 42.46 41.91 1iqo s ILE 45 CO -0.01 -0.13 1.88 1.17 0.24 0.00 0.00 174.94 178.09 1iqo n LYS 46 N -0.33 1.38 -0.61 0.37 3.00 -1.26 -4.29 118.16 116.42 1iqo n LYS 46 Ca -0.10 -1.63 0.10 0.00 -0.00 0.00 0.00 58.31 56.68 1iqo n LYS 46 Cb 0.63 -2.75 0.36 0.00 0.00 0.00 0.00 35.03 33.26 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iqo n GLY 47 N 4.42 2.76 2.95 3.14 0.00 -1.25 -4.91 105.19 112.30 1iqo n GLY 47 Ca 0.46 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1iqo n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iqo n THR 48 N 1.15 0.00 0.00 2.61 -1.04 -1.26 -4.74 114.28 111.00 1iqo n THR 48 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1iqo n THR 48 Cb 0.88 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 1iqo n THR 48 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1iqo n GLN 49 N -2.05 0.00 0.00 -2.82 -0.06 -1.26 -5.15 117.38 106.04 1iqo n GLN 49 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1iqo n GLN 49 Cb 0.03 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.21 1iqo n GLN 49 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1iqo n SER 50 N 0.00 -3.09 0.00 1.69 7.64 -1.26 -4.98 113.62 113.62 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 -3.20 -3.01 0.00 0.00 175.04 168.83 1iqo n ASN 51 N -2.11 0.00 -4.00 6.43 5.15 -1.26 -3.88 115.26 115.60 1iqo n ASN 51 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 1iqo n ASN 51 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1iqo s HIS 52 N 1.45 0.38 0.11 1.20 -3.43 -1.12 -5.02 115.29 108.86 1iqo s HIS 52 Ca 0.00 -0.74 0.08 0.00 -0.80 0.00 0.00 55.06 53.60 1iqo s HIS 52 Cb 0.00 0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 31.29 1iqo s HIS 52 CO 0.00 -0.99 -0.21 0.08 -2.00 0.00 0.00 174.74 171.62 1iqo s VAL 53 N -4.02 1.72 0.05 -5.38 1.01 -1.26 -2.41 120.40 110.12 1iqo s VAL 53 Ca 0.23 -1.57 0.04 0.00 0.00 0.00 0.00 61.98 60.68 1iqo s VAL 53 Cb -0.01 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1iqo s VAL 53 CO 0.09 -0.07 -0.12 -0.22 0.00 0.00 0.00 175.10 174.77 1iqo s LEU 54 N -1.95 2.23 -0.42 3.92 1.98 0.28 -5.00 118.68 119.72 1iqo s LEU 54 Ca 0.07 -0.54 -0.14 0.00 -2.89 0.00 0.00 54.13 50.63 1iqo s LEU 54 Cb -0.10 -0.45 0.04 0.00 0.66 0.00 0.00 46.19 46.34 1iqo s LEU 54 CO 0.04 -0.07 0.30 0.12 -1.89 0.00 0.00 176.35 174.86 1iqo s PHE 55 N -1.13 3.25 -0.91 5.38 5.36 -1.26 -1.13 117.98 127.53 1iqo s PHE 55 Ca -0.03 -0.81 -0.21 0.00 -0.96 0.00 0.00 56.93 54.92 1iqo s PHE 55 Cb -0.09 -2.72 0.09 0.00 -0.34 0.00 0.00 43.02 39.96 1iqo s PHE 55 CO 0.01 -0.67 1.21 -0.51 -1.46 0.00 0.00 175.22 173.81 1iqo s LEU 56 N 1.63 4.41 0.01 6.12 1.43 -0.76 -4.86 118.68 126.65 1iqo s LEU 56 Ca 0.04 -1.65 -0.25 0.00 -1.03 0.00 0.00 54.13 51.24 1iqo s LEU 56 Cb -0.21 -2.46 -0.18 0.00 0.03 0.00 0.00 46.19 43.37 1iqo s LEU 56 CO 0.08 -1.29 1.38 0.77 0.23 0.00 0.00 176.35 177.52 1iqo h SER 57 N 9.28 -0.05 -1.96 2.29 4.64 -1.96 -3.01 113.55 122.77 1iqo h SER 57 Ca 0.09 -0.32 -0.20 0.00 -0.47 0.00 0.00 61.79 60.89 1iqo h SER 57 Cb 1.03 0.01 -0.31 0.00 -0.31 0.00 0.00 62.40 62.82 1iqo h SER 57 CO 1.22 0.29 -0.53 -0.94 -0.87 0.00 0.00 176.83 176.01 1iqo s SER 58 N -5.47 0.57 0.47 4.97 1.04 -1.26 -4.67 113.70 109.35 1iqo s SER 58 Ca -0.15 -0.06 -0.24 0.00 0.48 0.00 0.00 55.95 55.98 1iqo s SER 58 Cb 0.03 0.95 -0.07 0.00 0.10 0.00 0.00 66.02 67.03 1iqo s SER 58 CO 0.65 -0.32 1.36 -0.47 0.98 0.00 0.00 173.24 175.44 1iqo s TYR 59 N 2.50 2.52 0.00 5.02 5.04 -1.26 -5.03 117.35 126.13 1iqo s TYR 59 Ca 0.11 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1iqo s TYR 59 Cb -0.15 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.37 1iqo s TYR 59 CO -0.20 -2.64 0.00 0.09 -1.34 0.00 0.00 175.55 171.46 1iqo n ASN 60 N -0.39 0.00 0.00 4.32 4.13 -1.26 -5.08 115.26 116.98 1iqo n ASN 60 Ca 0.06 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1iqo n ASN 60 Cb 0.44 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 1iqo n ASN 60 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1iqo n SER 61 N -0.26 0.63 -4.30 6.41 2.88 -1.26 -4.98 113.62 112.74 1iqo n SER 61 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1iqo n SER 61 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 1iqo n SER 61 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1iqo n VAL 62 N -2.22 0.00 0.33 2.46 0.24 -1.26 -4.77 118.33 113.10 1iqo n VAL 62 Ca 0.00 -0.30 0.21 0.00 -2.04 0.00 0.00 64.34 62.21 1iqo n VAL 62 Cb 0.15 -0.63 1.12 0.00 -1.47 0.00 0.00 33.84 33.02 1iqo n VAL 62 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1iqo h ASP 63 N -2.05 0.00 -0.25 -1.34 3.58 -2.03 -1.74 116.42 112.59 1iqo h ASP 63 Ca -0.53 0.00 0.07 0.00 0.42 0.00 0.00 57.03 56.99 1iqo h ASP 63 Cb 1.35 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 1iqo h ASP 63 CO 0.39 0.00 0.36 -0.08 -2.88 0.00 0.00 179.24 177.03 1iqo h GLU 64 N 0.00 0.00 -0.85 0.28 4.81 -2.00 -0.96 114.58 115.86 1iqo h GLU 64 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1iqo h GLU 64 Cb 0.13 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.44 1iqo h GLU 64 CO -0.00 0.00 0.51 -0.84 -0.73 0.00 0.00 179.01 177.95 1iqo h ILE 65 N 0.00 0.97 0.18 2.32 -0.00 -1.61 -0.68 117.51 118.69 1iqo h ILE 65 Ca 0.12 -0.30 -0.31 0.00 -0.00 0.00 0.00 64.86 64.36 1iqo h ILE 65 Cb 0.84 0.00 0.03 0.00 -0.00 0.00 0.00 36.82 37.69 1iqo h ILE 65 CO -0.00 0.16 -1.34 0.08 -0.00 0.00 0.00 178.15 177.05 1iqo h ARG 66 N 0.89 0.51 -0.08 0.16 0.11 -1.42 -3.09 114.38 111.46 1iqo h ARG 66 Ca 0.40 -0.79 0.02 0.00 0.10 0.00 0.00 59.98 59.70 1iqo h ARG 66 Cb 0.29 0.28 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 1iqo h ARG 66 CO -0.22 1.37 -0.03 -0.22 0.10 0.00 0.00 179.97 180.97 1iqo h LYS 67 N 0.18 -0.01 0.15 0.08 3.64 -1.36 0.94 116.57 120.18 1iqo h LYS 67 Ca -0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1iqo h LYS 67 Cb 2.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 1iqo h LYS 67 CO 0.25 -0.01 -0.07 1.49 -2.27 0.00 0.00 179.45 178.84 1iqo h GLU 68 N -0.01 -0.19 0.57 1.90 4.57 -1.25 -0.75 114.58 119.42 1iqo h GLU 68 Ca 0.04 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1iqo h GLU 68 Cb 0.07 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1iqo h GLU 68 CO -0.09 -0.11 -0.27 1.25 -1.18 0.00 0.00 179.01 178.61 1iqo h LEU 69 N -0.22 -0.65 -1.66 1.64 5.85 -1.44 -2.92 115.31 115.91 1iqo h LEU 69 Ca -0.02 -0.02 0.31 0.00 0.84 0.00 0.00 57.88 58.99 1iqo h LEU 69 Cb 0.17 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1iqo h LEU 69 CO 0.03 -0.26 0.76 -0.08 -0.34 0.00 0.00 178.44 178.55 1iqo h GLU 70 N -1.12 0.18 -0.49 1.25 4.81 0.86 0.55 114.58 120.62 1iqo h GLU 70 Ca -0.08 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1iqo h GLU 70 Cb 0.64 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1iqo h GLU 70 CO 0.13 0.12 0.19 0.93 -0.73 0.00 0.00 179.01 179.65 1iqo h GLU 71 N 0.19 0.73 0.00 1.92 5.08 -1.03 -2.63 114.58 118.84 1iqo h GLU 71 Ca 0.59 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.73 1iqo h GLU 71 Cb 1.92 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 1iqo h GLU 71 CO -0.17 0.66 -0.41 0.00 -1.00 0.00 0.00 179.01 178.09 1iqo h ALA 72 N 1.04 0.77 0.30 3.43 0.00 0.10 0.16 119.26 125.06 1iqo h ALA 72 Ca 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1iqo h ALA 72 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1iqo h ALA 72 CO -0.01 0.51 -0.22 0.78 0.00 0.00 0.00 179.25 180.30 1iqo h GLY 73 N 3.25 -0.84 -1.71 0.00 0.00 -0.13 -3.43 103.07 100.21 1iqo h GLY 73 Ca -0.00 0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.59 1iqo h GLY 73 CO 0.05 -0.28 -0.21 0.00 0.00 0.00 0.00 176.54 176.10 1iqo n ALA 74 N -2.43 2.70 -0.79 3.60 0.00 -1.16 -4.94 120.51 117.49 1iqo n ALA 74 Ca -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1iqo n ALA 74 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1iqo n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iqo n LYS 75 N 0.00 0.00 -1.10 0.00 5.02 -1.08 -5.03 118.16 115.98 1iqo n LYS 75 Ca -0.20 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.77 1iqo n LYS 75 Cb 0.60 -0.10 0.11 0.00 -0.02 0.00 0.00 35.03 35.62 1iqo n LYS 75 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1iqo s ILE 76 N -0.21 2.95 0.63 -0.18 -1.09 0.02 -4.89 121.20 118.44 1iqo s ILE 76 Ca 0.00 0.31 0.37 0.00 -2.23 0.00 0.00 60.65 59.10 1iqo s ILE 76 Cb 0.00 -2.66 0.40 0.00 -1.58 0.00 0.00 42.46 38.62 1iqo s ILE 76 CO 0.00 -0.40 2.29 -1.13 -1.23 0.00 0.00 174.94 174.46 1iqo h ASN 77 N -1.33 0.00 -3.63 3.58 -0.00 -1.96 -3.46 115.58 108.79 1iqo h ASN 77 Ca -0.43 0.00 0.30 0.00 -0.00 0.00 0.00 56.30 56.16 1iqo h ASN 77 Cb 1.24 0.00 -0.14 0.00 -0.00 0.00 0.00 38.32 39.42 1iqo h ASN 77 CO 0.48 0.00 -0.90 1.57 -0.00 0.00 0.00 177.43 178.59 1iqo n HIS 78 N -3.42 -3.15 -1.69 0.67 -0.00 -1.26 -5.03 115.22 101.34 1iqo n HIS 78 Ca -0.03 1.70 0.00 0.00 -0.00 0.00 0.00 57.72 59.39 1iqo n HIS 78 Cb 0.11 -2.87 0.00 0.00 -0.00 0.00 0.00 29.99 27.24 1iqo n HIS 78 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1iqo n THR 79 N -3.97 -4.92 0.00 3.57 5.66 -1.26 -5.02 114.28 108.33 1iqo n THR 79 Ca -0.05 2.27 0.00 0.00 -3.05 0.00 0.00 64.05 63.21 1iqo n THR 79 Cb 0.56 -3.07 0.00 0.00 -1.55 0.00 0.00 70.33 66.27 1iqo n THR 79 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1iqo n THR 80 N -0.56 0.00 -0.83 1.09 5.66 -1.26 -4.96 114.28 113.41 1iqo n THR 80 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1iqo n THR 80 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1iqo n THR 80 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1iqo n LEU 81 N 0.00 0.46 -0.02 1.09 4.77 -1.26 -4.83 117.00 117.21 1iqo n LEU 81 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1iqo n LEU 81 Cb 0.00 -0.87 -0.13 0.00 -2.33 0.00 0.00 43.42 40.08 1iqo n LEU 81 CO 0.00 -0.29 -0.36 0.50 -1.33 0.00 0.00 177.39 175.92 1iqo h LYS 82 N 1.35 0.17 -0.24 3.23 3.64 -1.98 -3.07 116.57 119.66 1iqo h LYS 82 Ca 0.00 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1iqo h LYS 82 Cb 0.11 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1iqo h LYS 82 CO 0.00 1.14 0.11 -0.84 -2.27 0.00 0.00 179.45 177.58 1iqo h ILE 83 N -0.52 1.09 -0.19 2.00 3.07 -1.98 -0.30 117.51 120.69 1iqo h ILE 83 Ca -0.28 -0.28 -0.07 0.00 1.55 0.00 0.00 64.86 65.79 1iqo h ILE 83 Cb 1.58 0.80 -0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1iqo h ILE 83 CO -0.00 0.11 -0.15 -0.07 -1.05 0.00 0.00 178.15 176.98 1iqo h LEU 84 N 0.33 0.46 -2.09 0.16 4.07 -1.89 -1.88 115.31 114.47 1iqo h LEU 84 Ca 0.09 -0.46 -0.00 0.00 0.08 0.00 0.00 57.88 57.59 1iqo h LEU 84 Cb 0.05 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1iqo h LEU 84 CO -0.01 0.82 -0.01 -0.08 -1.08 0.00 0.00 178.44 178.07 1iqo h GLU 85 N 0.10 0.00 0.05 1.13 4.81 -1.27 0.37 114.58 119.77 1iqo h GLU 85 Ca 0.03 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.00 1iqo h GLU 85 Cb 0.67 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1iqo h GLU 85 CO 0.04 0.01 -1.33 0.78 -0.73 0.00 0.00 179.01 177.78 1iqo h GLY 86 N 1.16 0.12 -5.00 1.92 0.00 -0.71 -3.43 103.07 97.13 1iqo h GLY 86 Ca -0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 1iqo h GLY 86 CO 0.00 0.26 -0.20 -2.39 0.00 0.00 0.00 176.54 174.21 1iqo n HIS 87 N -3.34 -1.69 -0.98 5.60 1.44 -0.74 -5.09 115.22 110.42 1iqo n HIS 87 Ca -0.09 -1.28 0.00 0.00 -2.01 0.00 0.00 57.72 54.34 1iqo n HIS 87 Cb 1.00 1.35 0.00 0.00 0.12 0.00 0.00 29.99 32.46 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42