#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 -4.43 -1.25 1.96 7.35 -1.26 -4.88 117.46 114.96 1iqo n PHE 2 Ca 0.00 2.61 0.05 0.00 -0.76 0.00 0.00 57.45 59.35 1iqo n PHE 2 Cb 0.00 -3.77 -0.01 0.00 0.35 0.00 0.00 39.48 36.04 1iqo n PHE 2 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1iqo n ILE 3 N 1.67 0.00 -3.16 -2.13 0.13 -1.26 -4.80 119.36 109.82 1iqo n ILE 3 Ca -0.20 0.00 -0.17 0.00 -1.10 0.00 0.00 62.75 61.29 1iqo n ILE 3 Cb 0.30 -0.13 -0.06 0.00 -0.84 0.00 0.00 39.64 38.92 1iqo n ILE 3 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1iqo s ALA 4 N -1.49 -0.23 -1.03 1.51 0.00 -1.26 -5.06 121.76 114.20 1iqo s ALA 4 Ca 0.00 -1.44 -0.09 0.00 0.00 0.00 0.00 51.96 50.44 1iqo s ALA 4 Cb 0.00 -2.09 0.26 0.00 0.00 0.00 0.00 23.12 21.29 1iqo s ALA 4 CO 0.00 -2.10 1.00 0.95 0.00 0.00 0.00 175.76 175.61 1iqo s THR 5 N 0.61 5.66 -0.19 0.00 -4.23 -1.26 -3.64 115.64 112.59 1iqo s THR 5 Ca 0.29 -3.35 -0.13 0.00 -1.18 0.00 0.00 61.69 57.32 1iqo s THR 5 Cb -0.01 -4.43 -0.05 0.00 1.34 0.00 0.00 72.50 69.35 1iqo s THR 5 CO -0.11 -1.14 0.26 -1.48 -0.54 0.00 0.00 174.62 171.61 1iqo s LEU 6 N -1.05 4.19 -0.34 4.79 2.34 -1.13 -5.00 118.68 122.48 1iqo s LEU 6 Ca 0.28 0.38 -0.08 0.00 0.06 0.00 0.00 54.13 54.77 1iqo s LEU 6 Cb -0.10 -2.30 0.03 0.00 -0.56 0.00 0.00 46.19 43.26 1iqo s LEU 6 CO -0.09 0.06 0.13 -0.75 -1.06 0.00 0.00 176.35 174.65 1iqo s LYS 7 N 0.80 2.77 0.39 1.48 2.47 -1.26 -2.90 119.74 123.49 1iqo s LYS 7 Ca 0.14 -1.09 0.08 0.00 -1.56 0.00 0.00 55.97 53.53 1iqo s LYS 7 Cb -0.13 -3.54 -0.03 0.00 -1.46 0.00 0.00 37.83 32.67 1iqo s LYS 7 CO 0.04 -0.64 0.28 0.20 0.16 0.00 0.00 175.35 175.39 1iqo s GLY 8 N 1.47 2.08 -0.21 5.54 0.00 0.18 -4.99 107.32 111.39 1iqo s GLY 8 Ca 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 44.72 42.72 1iqo s GLY 8 CO 0.04 -1.73 0.52 -1.50 0.00 0.00 0.00 173.10 170.43 1iqo s ILE 9 N -2.46 -0.01 -0.11 0.90 2.07 -1.26 -1.68 121.20 118.65 1iqo s ILE 9 Ca 0.44 0.05 -0.04 0.00 -1.41 0.00 0.00 60.65 59.68 1iqo s ILE 9 Cb -0.02 -0.75 -0.04 0.00 0.13 0.00 0.00 42.46 41.78 1iqo s ILE 9 CO 0.26 0.02 0.06 -0.36 -1.91 0.00 0.00 174.94 173.00 1iqo s PHE 10 N 1.33 3.33 -0.39 3.50 0.40 0.10 -4.89 117.98 121.36 1iqo s PHE 10 Ca -0.08 0.30 -0.07 0.00 -0.60 0.00 0.00 56.93 56.47 1iqo s PHE 10 Cb -0.07 -1.87 0.07 0.00 0.51 0.00 0.00 43.02 41.66 1iqo s PHE 10 CO -0.13 0.53 0.20 0.95 0.70 0.00 0.00 175.22 177.47 1iqo s THR 11 N -0.80 3.92 0.21 0.64 -4.23 -1.25 -1.39 115.64 112.74 1iqo s THR 11 Ca 0.13 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1iqo s THR 11 Cb -0.12 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1iqo s THR 11 CO 0.03 -0.43 0.00 0.00 -0.54 0.00 0.00 174.62 173.68 1iqo n LEU 12 N 4.83 -2.56 -0.62 4.79 -0.00 -0.04 -2.71 117.00 120.68 1iqo n LEU 12 Ca -0.10 1.97 0.48 0.00 -0.00 0.00 0.00 56.01 58.36 1iqo n LEU 12 Cb 0.43 -2.35 0.75 0.00 -0.00 0.00 0.00 43.42 42.25 1iqo n LEU 12 CO 0.36 -0.17 1.36 2.29 -0.00 0.00 0.00 177.39 181.23 1iqo n LYS 13 N 0.14 -0.01 -0.36 1.47 0.00 -1.26 0.11 118.16 118.25 1iqo n LYS 13 Ca 0.00 1.09 0.05 0.00 -0.00 0.00 0.00 58.31 59.45 1iqo n LYS 13 Cb 0.00 -2.40 0.21 0.00 -0.00 0.00 0.00 35.03 32.84 1iqo n LYS 13 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1iqo h ASP 14 N 0.00 0.94 -3.41 -5.58 3.58 -1.95 -3.33 116.42 106.66 1iqo h ASP 14 Ca 0.89 0.04 -0.77 0.00 0.42 0.00 0.00 57.03 57.61 1iqo h ASP 14 Cb 3.40 -0.16 -0.25 0.00 1.72 0.00 0.00 39.33 44.04 1iqo h ASP 14 CO -0.13 0.54 -0.11 -0.22 -2.88 0.00 0.00 179.24 176.44 1iqo s LEU 15 N -10.22 6.38 -1.34 2.28 0.20 0.30 -4.98 118.68 111.29 1iqo s LEU 15 Ca -0.12 -2.17 -0.11 0.00 0.69 0.00 0.00 54.13 52.42 1iqo s LEU 15 Cb 0.21 -2.19 0.13 0.00 -0.43 0.00 0.00 46.19 43.90 1iqo s LEU 15 CO 0.81 -0.73 2.01 -0.81 -0.29 0.00 0.00 176.35 177.34 1iqo n PRO 16 N 4.70 3.43 0.00 0.98 -0.04 -1.25 -3.89 135.00 138.92 1iqo n PRO 16 Ca -0.02 -3.24 0.00 0.00 -0.04 0.00 0.00 63.50 60.20 1iqo n PRO 16 Cb 0.43 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 1iqo n PRO 16 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1iqo n GLU 17 N 4.43 0.00 0.00 0.54 4.07 -1.26 -2.35 120.64 126.07 1iqo n GLU 17 Ca 0.44 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.54 1iqo n GLU 17 Cb 0.37 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 1iqo n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1iqo n GLU 18 N 0.00 0.00 0.00 5.31 2.13 -1.26 -5.07 120.64 121.75 1iqo n GLU 18 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1iqo n GLU 18 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1iqo n GLU 18 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1iqo n PHE 19 N -0.21 0.00 -2.32 4.31 3.72 -0.99 -5.11 117.46 116.86 1iqo n PHE 19 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1iqo n PHE 19 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1iqo n PHE 19 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1iqo s ARG 20 N 0.00 4.38 -0.32 -1.08 1.81 -1.26 -4.79 118.95 117.68 1iqo s ARG 20 Ca 0.00 1.88 -0.23 0.00 -1.72 0.00 0.00 55.73 55.67 1iqo s ARG 20 Cb 0.00 -3.35 0.00 0.00 -0.45 0.00 0.00 34.95 31.16 1iqo s ARG 20 CO 0.00 -0.36 0.75 -1.25 -0.68 0.00 0.00 175.30 173.76 1iqo s PRO 21 N 1.26 3.88 0.00 3.54 0.04 -1.26 -4.71 135.00 137.75 1iqo s PRO 21 Ca 0.61 0.43 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1iqo s PRO 21 Cb -0.32 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1iqo s PRO 21 CO 0.29 -0.71 0.00 0.34 0.04 0.00 0.00 177.00 176.96 1iqo n PHE 22 N 6.19 0.00 0.32 0.56 7.35 -1.26 -4.51 117.46 126.11 1iqo n PHE 22 Ca 0.02 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.86 1iqo n PHE 22 Cb 0.48 0.00 0.77 0.00 0.35 0.00 0.00 39.48 41.09 1iqo n PHE 22 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 1iqo h VAL 23 N 0.00 0.00 -1.20 -2.13 3.04 -1.99 -2.57 116.25 111.41 1iqo h VAL 23 Ca 0.00 0.00 0.37 0.00 -1.01 0.00 0.00 66.70 66.06 1iqo h VAL 23 Cb 0.00 0.63 -0.12 0.00 -2.01 0.00 0.00 31.29 29.79 1iqo h VAL 23 CO 0.00 0.00 0.76 0.44 -1.01 0.00 0.00 177.57 177.76 1iqo h ASP 24 N 0.00 0.33 -0.08 3.17 5.19 -1.93 0.84 116.42 123.94 1iqo h ASP 24 Ca 0.00 0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 1iqo h ASP 24 Cb 0.68 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1iqo h ASP 24 CO 0.00 -0.11 -0.13 0.10 -3.12 0.00 0.00 179.24 175.98 1iqo h TYR 25 N 0.19 0.44 -0.01 4.55 -0.00 -1.76 -2.11 116.97 118.27 1iqo h TYR 25 Ca 0.75 -0.06 -0.13 0.00 0.00 0.00 0.00 58.73 59.29 1iqo h TYR 25 Cb 2.16 -0.12 -0.02 0.00 0.00 0.00 0.00 36.73 38.76 1iqo h TYR 25 CO -0.01 0.53 -0.59 -0.22 -0.00 0.00 0.00 178.16 177.88 1iqo h LYS 26 N 0.39 0.03 0.00 0.10 3.64 0.48 0.79 116.57 121.99 1iqo h LYS 26 Ca 0.07 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1iqo h LYS 26 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1iqo h LYS 26 CO 0.03 0.61 -0.45 0.00 -2.27 0.00 0.00 179.45 177.36 1iqo h ALA 27 N 1.39 0.94 0.00 5.00 0.00 -0.90 -3.25 119.26 122.44 1iqo h ALA 27 Ca -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1iqo h ALA 27 Cb 1.05 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1iqo h ALA 27 CO 0.08 0.57 -0.40 0.41 0.00 0.00 0.00 179.25 179.91 1iqo n GLY 28 N 0.35 3.84 0.25 0.00 0.00 -0.87 -3.93 105.19 104.83 1iqo n GLY 28 Ca -0.00 -1.01 0.17 0.00 0.00 0.00 0.00 46.02 45.18 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 0.50 0.00 -5.37 0.99 8.10 0.56 -2.85 115.31 117.25 1iqo h LEU 29 Ca -0.03 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.73 1iqo h LEU 29 Cb 1.18 0.00 -0.37 0.00 -0.44 0.00 0.00 40.66 41.03 1iqo h LEU 29 CO 0.01 0.00 -1.01 1.21 -4.11 0.00 0.00 178.44 174.55 1iqo n GLU 30 N -2.68 1.68 -3.83 0.17 2.13 -1.26 -4.97 120.64 111.87 1iqo n GLU 30 Ca -0.02 -3.20 -0.28 0.00 0.66 0.00 0.00 57.16 54.33 1iqo n GLU 30 Cb 0.09 -1.33 0.03 0.00 0.27 0.00 0.00 31.44 30.50 1iqo n GLU 30 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1iqo n LYS 31 N -0.73 -5.73 -2.72 5.31 4.81 -1.08 -4.94 118.16 113.09 1iqo n LYS 31 Ca 0.04 0.63 -0.38 0.00 -0.87 0.00 0.00 58.31 57.72 1iqo n LYS 31 Cb 0.81 -5.48 -0.06 0.00 0.02 0.00 0.00 35.03 30.32 1iqo n LYS 31 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1iqo s LYS 32 N -6.45 4.67 -0.29 1.64 1.02 -1.25 -5.04 119.74 114.03 1iqo s LYS 32 Ca 0.52 1.45 -0.01 0.00 0.02 0.00 0.00 55.97 57.95 1iqo s LYS 32 Cb -0.26 -3.00 0.05 0.00 -0.52 0.00 0.00 37.83 34.10 1iqo s LYS 32 CO 0.81 0.34 -0.03 0.15 -0.92 0.00 0.00 175.35 175.70 1iqo s LYS 33 N -1.69 2.44 0.15 1.68 -0.14 -1.26 -4.65 119.74 116.27 1iqo s LYS 33 Ca 0.47 -1.25 0.11 0.00 -1.36 0.00 0.00 55.97 53.94 1iqo s LYS 33 Cb -0.23 -3.10 -0.04 0.00 -1.68 0.00 0.00 37.83 32.78 1iqo s LYS 33 CO 0.29 -0.58 -0.26 -0.51 -0.76 0.00 0.00 175.35 173.53 1iqo s LEU 34 N 1.23 2.38 0.00 3.17 2.01 -1.26 -5.15 118.68 121.06 1iqo s LEU 34 Ca -0.05 -0.78 0.00 0.00 0.01 0.00 0.00 54.13 53.31 1iqo s LEU 34 Cb -0.19 -1.22 0.00 0.00 0.01 0.00 0.00 46.19 44.79 1iqo s LEU 34 CO -0.02 0.16 0.00 -0.24 1.01 0.00 0.00 176.35 177.26 1iqo n SER 35 N 0.68 0.00 -4.58 2.29 2.88 -1.26 -4.95 113.62 108.68 1iqo n SER 35 Ca -0.16 -0.87 -0.23 0.00 -1.33 0.00 0.00 58.87 56.27 1iqo n SER 35 Cb 0.54 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.92 1iqo n SER 35 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1iqo s ASP 36 N -1.00 4.43 0.00 -3.46 -1.08 -1.26 -2.97 116.67 111.33 1iqo s ASP 36 Ca 0.00 -1.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 1iqo s ASP 36 Cb 0.00 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1iqo s ASP 36 CO 0.00 -3.72 0.00 0.47 0.52 0.00 0.00 175.17 172.44 1iqo n ASP 37 N 16.38 0.00 -4.52 -0.34 9.92 -1.26 -5.07 116.55 131.66 1iqo n ASP 37 Ca 0.44 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.40 1iqo n ASP 37 Cb 0.47 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.82 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1iqo n ASP 38 N -0.81 0.66 -4.45 -2.24 2.03 -1.16 -4.73 116.55 105.85 1iqo n ASP 38 Ca 0.00 -0.49 -0.35 0.00 0.52 0.00 0.00 54.79 54.47 1iqo n ASP 38 Cb 0.00 -1.14 -0.12 0.00 -0.72 0.00 0.00 41.12 39.14 1iqo n ASP 38 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1iqo s GLU 39 N 8.33 3.62 0.31 -0.67 -1.05 -1.25 -0.87 118.70 127.13 1iqo s GLU 39 Ca 1.17 -0.52 0.08 0.00 -0.15 0.00 0.00 54.97 55.55 1iqo s GLU 39 Cb -0.67 -3.04 -0.03 0.00 -0.44 0.00 0.00 34.13 29.94 1iqo s GLU 39 CO 0.37 0.06 0.20 0.42 0.95 0.00 0.00 175.26 177.26 1iqo s ILE 40 N 0.88 3.55 -0.08 1.83 -1.09 -0.49 -2.39 121.20 123.41 1iqo s ILE 40 Ca 0.01 -1.53 -0.02 0.00 -2.23 0.00 0.00 60.65 56.88 1iqo s ILE 40 Cb -0.14 -3.13 0.03 0.00 -1.58 0.00 0.00 42.46 37.64 1iqo s ILE 40 CO 0.02 -0.23 0.01 0.00 -1.23 0.00 0.00 174.94 173.51 1iqo s ALA 41 N -2.31 0.64 -0.22 9.38 0.00 -1.06 0.03 121.76 128.23 1iqo s ALA 41 Ca 0.37 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 52.13 1iqo s ALA 41 Cb -0.05 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1iqo s ALA 41 CO 0.24 -0.52 0.11 0.42 0.00 0.00 0.00 175.76 176.02 1iqo s ILE 42 N 2.00 4.98 -0.02 0.00 1.01 -0.68 -2.72 121.20 125.77 1iqo s ILE 42 Ca 0.05 0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1iqo s ILE 42 Cb -0.13 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 1iqo s ILE 42 CO -0.05 0.38 -0.14 -0.63 0.00 0.00 0.00 174.94 174.49 1iqo s ILE 43 N 0.96 1.17 -0.03 2.92 1.01 -0.86 0.52 121.20 126.88 1iqo s ILE 43 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1iqo s ILE 43 Cb -0.14 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.37 1iqo s ILE 43 CO 0.03 0.34 0.00 -0.44 0.00 0.00 0.00 174.94 174.87 1iqo s SER 44 N -0.13 0.49 -0.42 3.58 0.01 -1.14 0.10 113.70 116.18 1iqo s SER 44 Ca 0.01 -0.02 0.07 0.00 1.31 0.00 0.00 55.95 57.32 1iqo s SER 44 Cb -0.08 -0.22 0.23 0.00 0.21 0.00 0.00 66.02 66.15 1iqo s SER 44 CO 0.00 -0.11 0.57 -0.38 0.41 0.00 0.00 173.24 173.73 1iqo n ILE 45 N 4.22 -0.62 0.00 1.44 -0.00 -1.24 -2.84 119.36 120.32 1iqo n ILE 45 Ca -0.25 -3.15 0.00 0.00 -0.00 0.00 0.00 62.75 59.35 1iqo n ILE 45 Cb 0.50 -0.98 0.00 0.00 -0.00 0.00 0.00 39.64 39.17 1iqo n ILE 45 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1iqo n LYS 46 N 1.90 0.00 -4.08 0.38 5.02 -1.26 -4.76 118.16 115.35 1iqo n LYS 46 Ca 0.20 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.16 1iqo n LYS 46 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.50 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqo n GLY 47 N 0.00 -0.43 3.18 0.72 0.00 -1.26 0.11 105.19 107.51 1iqo n GLY 47 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.81 -3.38 -2.43 2.61 -1.04 -1.26 -3.72 114.28 101.24 1iqo n THR 48 Ca 0.09 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.05 61.92 1iqo n THR 48 Cb 0.47 -3.94 0.01 0.00 -1.82 0.00 0.00 70.33 65.05 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 -4.04 -0.94 -2.31 -2.82 7.27 0.30 -5.06 117.38 109.77 1iqo n GLN 49 Ca -0.08 0.86 -0.04 0.00 0.07 0.00 0.00 57.00 57.82 1iqo n GLN 49 Cb 0.58 -3.95 0.01 0.00 2.41 0.00 0.00 30.24 29.30 1iqo n GLN 49 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1iqo n SER 50 N -1.82 -1.03 -3.68 1.69 3.41 -0.49 -5.10 113.62 106.60 1iqo n SER 50 Ca -0.01 -1.69 -0.14 0.00 -0.26 0.00 0.00 58.87 56.76 1iqo n SER 50 Cb 0.52 1.71 -0.08 0.00 -0.26 0.00 0.00 64.21 66.10 1iqo n SER 50 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iqo s ASN 51 N -1.98 -0.46 0.41 4.04 2.20 -1.26 -4.20 114.94 113.70 1iqo s ASN 51 Ca 0.08 0.70 -0.02 0.00 -0.94 0.00 0.00 52.86 52.67 1iqo s ASN 51 Cb -0.02 0.74 -0.04 0.00 -2.00 0.00 0.00 41.25 39.93 1iqo s ASN 51 CO 0.05 -0.33 0.67 -1.00 -2.94 0.00 0.00 177.10 173.55 1iqo s HIS 52 N -0.44 3.53 0.00 1.54 3.76 0.28 -4.95 115.29 119.02 1iqo s HIS 52 Ca -0.06 0.59 0.01 0.00 -0.15 0.00 0.00 55.06 55.45 1iqo s HIS 52 Cb -0.03 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 1iqo s HIS 52 CO 0.03 -0.08 -0.04 0.08 -0.85 0.00 0.00 174.74 173.89 1iqo s VAL 53 N -2.53 0.28 -0.03 -0.90 1.01 -1.26 -2.03 120.40 114.94 1iqo s VAL 53 Ca 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1iqo s VAL 53 Cb -0.10 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1iqo s VAL 53 CO 0.40 0.00 -0.00 -0.22 0.00 0.00 0.00 175.10 175.28 1iqo s LEU 54 N -0.29 1.25 -0.39 3.92 1.98 -1.10 -5.05 118.68 118.99 1iqo s LEU 54 Ca -0.01 -0.03 -0.19 0.00 -2.89 0.00 0.00 54.13 51.01 1iqo s LEU 54 Cb -0.03 -0.21 0.01 0.00 0.66 0.00 0.00 46.19 46.62 1iqo s LEU 54 CO -0.00 -0.09 0.58 0.12 -1.89 0.00 0.00 176.35 175.07 1iqo s PHE 55 N 0.91 3.13 -1.02 5.38 5.36 -1.26 -2.55 117.98 127.93 1iqo s PHE 55 Ca -0.09 0.05 -0.16 0.00 -0.96 0.00 0.00 56.93 55.77 1iqo s PHE 55 Cb -0.13 -3.12 0.16 0.00 -0.34 0.00 0.00 43.02 39.59 1iqo s PHE 55 CO -0.02 -0.70 1.19 -0.51 -1.46 0.00 0.00 175.22 173.72 1iqo s LEU 56 N 2.58 5.28 0.21 6.12 1.43 -1.01 -4.81 118.68 128.49 1iqo s LEU 56 Ca 0.20 -2.49 0.09 0.00 -1.03 0.00 0.00 54.13 50.90 1iqo s LEU 56 Cb -0.15 -2.37 0.13 0.00 0.03 0.00 0.00 46.19 43.83 1iqo s LEU 56 CO 0.16 -0.87 1.48 -1.28 0.23 0.00 0.00 176.35 176.06 1iqo h SER 57 N 8.08 0.01 -2.01 2.29 0.87 -1.95 -3.33 113.55 117.52 1iqo h SER 57 Ca 0.20 -0.01 -0.35 0.00 -1.23 0.00 0.00 61.79 60.40 1iqo h SER 57 Cb 0.97 -0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.61 1iqo h SER 57 CO 1.11 0.78 -0.67 -0.44 -0.53 0.00 0.00 176.83 177.08 1iqo s SER 58 N -6.80 1.32 -0.70 6.23 0.01 -1.26 -4.97 113.70 107.52 1iqo s SER 58 Ca -0.01 -1.29 -0.10 0.00 1.31 0.00 0.00 55.95 55.87 1iqo s SER 58 Cb 0.12 0.55 0.18 0.00 0.21 0.00 0.00 66.02 67.08 1iqo s SER 58 CO 0.79 -0.30 0.59 -0.47 0.41 0.00 0.00 173.24 174.26 1iqo s TYR 59 N 1.75 3.58 0.40 2.43 5.04 -1.26 -5.04 117.35 124.25 1iqo s TYR 59 Ca 0.14 -2.19 0.01 0.00 -2.44 0.00 0.00 57.07 52.60 1iqo s TYR 59 Cb -0.15 -3.57 -0.00 0.00 0.35 0.00 0.00 41.96 38.59 1iqo s TYR 59 CO -0.13 -0.94 0.04 0.27 -1.34 0.00 0.00 175.55 173.44 1iqo n ASN 60 N 3.98 2.54 -1.38 4.32 6.94 -1.26 -5.09 115.26 125.31 1iqo n ASN 60 Ca 0.08 -2.87 0.18 0.00 -0.02 0.00 0.00 54.58 51.95 1iqo n ASN 60 Cb 0.43 0.49 -0.04 0.00 -2.36 0.00 0.00 39.78 38.29 1iqo n ASN 60 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1iqo n SER 61 N -1.37 -8.19 -3.26 0.53 3.41 -1.26 -4.77 113.62 98.72 1iqo n SER 61 Ca -0.14 1.39 -0.16 0.00 -0.26 0.00 0.00 58.87 59.71 1iqo n SER 61 Cb 0.53 -3.90 -0.05 0.00 -0.26 0.00 0.00 64.21 60.53 1iqo n SER 61 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1iqo s VAL 62 N -2.00 0.00 0.00 -3.33 -7.23 -1.26 -4.77 120.40 101.80 1iqo s VAL 62 Ca 0.00 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1iqo s VAL 62 Cb 0.00 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1iqo s VAL 62 CO 0.00 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.12 1iqo n ASP 63 N -1.44 0.00 0.13 4.85 -0.08 -1.26 -4.16 116.55 114.59 1iqo n ASP 63 Ca 0.02 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.06 1iqo n ASP 63 Cb 0.62 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.92 1iqo n ASP 63 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1iqo h GLU 64 N 0.00 0.51 -0.20 -0.67 4.81 -1.96 -2.97 114.58 114.10 1iqo h GLU 64 Ca 0.00 -0.87 -0.01 0.00 -0.13 0.00 0.00 59.36 58.34 1iqo h GLU 64 Cb 0.00 0.33 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1iqo h GLU 64 CO 0.00 1.42 0.07 -0.84 -0.73 0.00 0.00 179.01 178.93 1iqo h ILE 65 N 0.11 1.09 -0.00 2.32 -0.00 -1.86 0.79 117.51 119.95 1iqo h ILE 65 Ca -0.27 -0.29 -0.17 0.00 -0.00 0.00 0.00 64.86 64.14 1iqo h ILE 65 Cb 2.13 0.86 0.01 0.00 -0.00 0.00 0.00 36.82 39.83 1iqo h ILE 65 CO 0.26 0.11 -0.66 -0.09 -0.00 0.00 0.00 178.15 177.77 1iqo h ARG 66 N 0.28 0.45 -0.07 0.16 2.43 -1.89 -2.89 114.38 112.86 1iqo h ARG 66 Ca 0.07 -0.48 -0.22 0.00 -0.81 0.00 0.00 59.98 58.54 1iqo h ARG 66 Cb 0.08 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1iqo h ARG 66 CO -0.01 1.13 -0.84 0.87 -1.51 0.00 0.00 179.97 179.62 1iqo h LYS 67 N -0.03 0.55 -0.90 0.20 1.57 -1.30 -2.39 116.57 114.27 1iqo h LYS 67 Ca -0.08 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 1iqo h LYS 67 Cb 1.36 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.75 1iqo h LYS 67 CO 0.13 1.13 0.56 1.49 -0.57 0.00 0.00 179.45 182.19 1iqo h GLU 68 N 0.35 1.20 -0.15 3.15 4.81 0.50 -1.57 114.58 122.89 1iqo h GLU 68 Ca -0.06 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 58.96 1iqo h GLU 68 Cb 1.46 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1iqo h GLU 68 CO 0.16 0.82 -0.35 1.25 -0.73 0.00 0.00 179.01 180.16 1iqo h LEU 69 N 1.23 0.56 -1.18 1.64 5.85 -1.52 -2.75 115.31 119.14 1iqo h LEU 69 Ca 0.32 -0.57 0.10 0.00 0.84 0.00 0.00 57.88 58.57 1iqo h LEU 69 Cb -0.09 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 1iqo h LEU 69 CO -0.06 1.03 0.58 -0.33 -0.34 0.00 0.00 178.44 179.32 1iqo h GLU 70 N 0.12 0.86 -0.34 1.25 5.08 -1.17 0.16 114.58 120.54 1iqo h GLU 70 Ca -0.00 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1iqo h GLU 70 Cb 0.96 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1iqo h GLU 70 CO 0.08 0.57 -0.15 1.49 -1.00 0.00 0.00 179.01 180.00 1iqo h GLU 71 N 0.89 0.71 -0.20 2.33 4.81 -1.26 -2.67 114.58 119.18 1iqo h GLU 71 Ca 0.43 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1iqo h GLU 71 Cb 0.44 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1iqo h GLU 71 CO -0.19 0.90 0.00 0.00 -0.73 0.00 0.00 179.01 178.99 1iqo n ALA 72 N -2.45 2.47 -0.09 2.92 0.00 -0.59 -2.30 120.51 120.47 1iqo n ALA 72 Ca -0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 53.44 52.98 1iqo n ALA 72 Cb 0.39 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 1iqo n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqo n GLY 73 N 0.81 -0.62 0.00 0.00 0.00 0.46 -4.84 105.19 101.00 1iqo n GLY 73 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1iqo n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqo n ALA 74 N -4.27 1.63 -1.00 4.61 0.00 -1.17 -4.82 120.51 115.49 1iqo n ALA 74 Ca -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1iqo n ALA 74 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.19 1.53 -0.96 0.00 3.00 -0.97 -4.98 118.16 115.59 1iqo n LYS 75 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1iqo n LYS 75 Cb 0.06 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.15 1iqo n LYS 75 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1iqo n ILE 76 N -0.08 0.10 -1.14 3.15 5.41 -1.26 -4.73 119.36 120.80 1iqo n ILE 76 Ca 0.00 -0.39 -0.28 0.00 1.00 0.00 0.00 62.75 63.07 1iqo n ILE 76 Cb 0.00 -0.24 -0.07 0.00 -0.71 0.00 0.00 39.64 38.62 1iqo n ILE 76 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1iqo n ASN 77 N 1.69 7.17 -2.43 4.38 3.02 -1.26 -4.61 115.26 123.22 1iqo n ASN 77 Ca 0.02 -2.50 -0.05 0.00 -0.03 0.00 0.00 54.58 52.02 1iqo n ASN 77 Cb 0.54 -1.45 -0.00 0.00 -0.61 0.00 0.00 39.78 38.26 1iqo n ASN 77 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1iqo n HIS 78 N 3.28 -1.71 -1.34 3.10 8.25 -1.26 -4.62 115.22 120.91 1iqo n HIS 78 Ca 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 1iqo n HIS 78 Cb 0.44 -1.75 0.00 0.00 1.12 0.00 0.00 29.99 29.80 1iqo n HIS 78 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1iqo n THR 79 N -2.83 0.00 -0.75 1.59 5.66 -1.26 -2.83 114.28 113.86 1iqo n THR 79 Ca -0.06 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.68 1iqo n THR 79 Cb 0.53 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.29 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 -0.32 1.95 -2.18 1.09 5.66 -1.26 -4.40 114.28 114.81 1iqo n THR 80 Ca 0.00 -1.29 -0.05 0.00 -3.05 0.00 0.00 64.05 59.66 1iqo n THR 80 Cb 0.00 -2.11 -0.01 0.00 -1.55 0.00 0.00 70.33 66.67 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 5.25 -0.43 0.09 1.09 4.77 -1.13 -4.78 117.00 121.85 1iqo n LEU 81 Ca 0.41 0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 56.49 1iqo n LEU 81 Cb 0.19 -1.36 -0.14 0.00 -2.33 0.00 0.00 43.42 39.78 1iqo n LEU 81 CO 0.78 -0.10 -0.05 0.50 -1.33 0.00 0.00 177.39 177.19 1iqo h LYS 82 N 0.00 0.47 -0.90 3.23 3.11 -1.77 -3.04 116.57 117.67 1iqo h LYS 82 Ca -0.11 -0.72 0.05 0.00 -2.81 0.00 0.00 60.65 57.06 1iqo h LYS 82 Cb 0.91 0.26 -0.06 0.00 -1.00 0.00 0.00 32.23 32.34 1iqo h LYS 82 CO 0.14 1.33 0.57 0.97 -2.81 0.00 0.00 179.45 179.65 1iqo h ILE 83 N -0.02 1.10 -0.53 2.00 2.10 -1.87 -0.20 117.51 120.09 1iqo h ILE 83 Ca -0.18 -0.37 -0.03 0.00 1.08 0.00 0.00 64.86 65.35 1iqo h ILE 83 Cb 1.84 -0.07 -0.02 0.00 -1.09 0.00 0.00 36.82 37.48 1iqo h ILE 83 CO 0.21 0.20 0.20 -0.07 -1.08 0.00 0.00 178.15 177.61 1iqo h LEU 84 N 1.08 0.74 -1.93 2.19 4.07 -1.86 -1.25 115.31 118.35 1iqo h LEU 84 Ca 0.38 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1iqo h LEU 84 Cb 0.09 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1iqo h LEU 84 CO -0.15 0.72 0.00 -0.33 -1.08 0.00 0.00 178.44 177.60 1iqo h GLU 85 N 0.72 0.00 0.06 1.13 5.08 -1.21 0.17 114.58 120.53 1iqo h GLU 85 Ca 0.17 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.26 1iqo h GLU 85 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1iqo h GLU 85 CO -0.01 0.00 -1.38 0.78 -1.00 0.00 0.00 179.01 177.40 1iqo h GLY 86 N 1.36 0.14 -5.00 -3.84 0.00 0.04 -3.44 103.07 92.34 1iqo h GLY 86 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1iqo h GLY 86 CO 0.00 0.32 -0.18 -2.39 0.00 0.00 0.00 176.54 174.29 1iqo n HIS 87 N -3.35 -1.45 -0.99 5.60 1.44 -0.67 -5.10 115.22 110.71 1iqo n HIS 87 Ca -0.11 -1.08 0.00 0.00 -2.01 0.00 0.00 57.72 54.53 1iqo n HIS 87 Cb 1.01 1.26 0.00 0.00 0.12 0.00 0.00 29.99 32.39 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42