#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 -3.00 -1.77 -1.74 -1.26 -5.10 117.46 104.59 1iqo n PHE 2 Ca 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1iqo n PHE 2 Cb 0.00 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.00 1iqo n PHE 2 CO 0.00 0.00 0.00 -0.89 -0.56 0.00 0.00 176.76 175.31 1iqo n ILE 3 N -0.69 -5.88 -3.51 1.97 -0.00 -1.26 -4.90 119.36 105.08 1iqo n ILE 3 Ca 0.00 1.04 -0.40 0.00 -0.00 0.00 0.00 62.75 63.38 1iqo n ILE 3 Cb 0.00 -4.48 -0.04 0.00 -0.00 0.00 0.00 39.64 35.12 1iqo n ILE 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1iqo s ALA 4 N -1.15 4.36 -0.28 -1.39 0.00 -1.26 -5.03 121.76 117.01 1iqo s ALA 4 Ca -0.01 -3.75 -0.29 0.00 0.00 0.00 0.00 51.96 47.91 1iqo s ALA 4 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1iqo s ALA 4 CO 0.31 -2.18 1.63 0.95 0.00 0.00 0.00 175.76 176.47 1iqo s THR 5 N -1.09 3.68 -1.18 0.00 -4.23 -1.26 -4.90 115.64 106.66 1iqo s THR 5 Ca 0.27 0.74 -0.20 0.00 -1.18 0.00 0.00 61.69 61.31 1iqo s THR 5 Cb -0.10 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1iqo s THR 5 CO -0.10 -0.40 1.90 -0.11 -0.54 0.00 0.00 174.62 175.38 1iqo n LEU 6 N 8.98 4.18 -4.46 4.79 -0.00 -0.59 -4.90 117.00 125.01 1iqo n LEU 6 Ca 0.19 -3.45 -0.43 0.00 -0.00 0.00 0.00 56.01 52.33 1iqo n LEU 6 Cb 0.46 -1.63 -0.10 0.00 -0.00 0.00 0.00 43.42 42.15 1iqo n LEU 6 CO 0.66 -0.70 -0.06 -0.75 -0.00 0.00 0.00 177.39 176.54 1iqo s LYS 7 N 5.22 2.97 0.23 1.96 2.20 -1.26 -1.86 119.74 129.20 1iqo s LYS 7 Ca 0.60 -1.02 0.11 0.00 -0.36 0.00 0.00 55.97 55.30 1iqo s LYS 7 Cb 0.05 -3.98 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 1iqo s LYS 7 CO 0.09 -0.76 -0.18 0.20 -0.36 0.00 0.00 175.35 174.34 1iqo s GLY 8 N 1.70 1.77 0.25 5.54 0.00 -0.90 -5.03 107.32 110.66 1iqo s GLY 8 Ca 0.05 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.08 1iqo s GLY 8 CO 0.10 -1.76 0.41 -0.42 0.00 0.00 0.00 173.10 171.43 1iqo s ILE 9 N -2.04 5.21 -0.36 0.90 1.01 -1.26 -1.93 121.20 122.73 1iqo s ILE 9 Ca 0.26 -0.64 0.14 0.00 0.00 0.00 0.00 60.65 60.41 1iqo s ILE 9 Cb -0.07 -3.81 0.41 0.00 0.01 0.00 0.00 42.46 39.00 1iqo s ILE 9 CO 0.13 -0.33 0.95 0.49 0.00 0.00 0.00 174.94 176.19 1iqo n PHE 10 N -1.22 0.10 -2.87 3.97 3.01 -0.43 -4.48 117.46 115.53 1iqo n PHE 10 Ca -0.06 -2.94 -0.41 0.00 1.01 0.00 0.00 57.45 55.04 1iqo n PHE 10 Cb 0.56 0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 40.00 1iqo n PHE 10 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1iqo s THR 11 N -2.24 4.89 0.52 4.37 -1.32 -1.22 0.22 115.64 120.86 1iqo s THR 11 Ca 0.30 1.68 0.00 0.00 -1.21 0.00 0.00 61.69 62.46 1iqo s THR 11 Cb 0.41 -4.16 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 1iqo s THR 11 CO -0.02 0.06 0.00 0.18 -2.21 0.00 0.00 174.62 172.63 1iqo n LEU 12 N 4.97 -0.87 0.00 9.08 4.32 0.62 -3.13 117.00 131.99 1iqo n LEU 12 Ca 0.04 2.02 0.05 0.00 -0.02 0.00 0.00 56.01 58.11 1iqo n LEU 12 Cb 0.49 -2.83 0.29 0.00 -1.62 0.00 0.00 43.42 39.75 1iqo n LEU 12 CO 0.49 -1.78 0.59 2.29 -1.22 0.00 0.00 177.39 177.76 1iqo n LYS 13 N -4.14 0.75 0.06 3.23 2.85 -1.19 -2.77 118.16 116.95 1iqo n LYS 13 Ca -0.08 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.19 1iqo n LYS 13 Cb 0.57 -1.21 -0.06 0.00 -0.65 0.00 0.00 35.03 33.69 1iqo n LYS 13 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1iqo h ASP 14 N 0.00 0.00 -0.97 -5.58 5.19 -1.84 -3.36 116.42 109.86 1iqo h ASP 14 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 1iqo h ASP 14 Cb 0.00 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 39.21 1iqo h ASP 14 CO 0.00 0.55 0.68 0.00 -3.12 0.00 0.00 179.24 177.35 1iqo n LEU 15 N -2.96 6.97 -4.28 1.55 -0.00 -1.11 -4.97 117.00 112.19 1iqo n LEU 15 Ca -0.07 -3.91 -0.09 0.00 -0.00 0.00 0.00 56.01 51.94 1iqo n LEU 15 Cb 0.81 -0.88 -0.09 0.00 -0.00 0.00 0.00 43.42 43.27 1iqo n LEU 15 CO 0.42 1.25 1.32 -2.65 -0.00 0.00 0.00 177.39 177.73 1iqo n PRO 16 N -1.05 0.07 0.00 1.47 -0.02 -1.26 -4.70 135.00 129.51 1iqo n PRO 16 Ca 0.60 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1iqo n PRO 16 Cb 1.24 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 1iqo n PRO 16 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1iqo n GLU 17 N 5.79 0.00 -0.14 -0.52 2.13 -1.26 0.42 120.64 127.06 1iqo n GLU 17 Ca 0.29 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.86 1iqo n GLU 17 Cb 0.39 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.00 1iqo n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1iqo n GLU 18 N 0.00 0.61 0.12 5.31 4.07 -1.26 -5.03 120.64 124.45 1iqo n GLU 18 Ca 0.00 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1iqo n GLU 18 Cb 0.00 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 29.87 1iqo n GLU 18 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1iqo n PHE 19 N -3.92 -3.60 -3.32 4.31 3.72 0.17 -5.04 117.46 109.79 1iqo n PHE 19 Ca -0.52 0.82 -0.26 0.00 -0.05 0.00 0.00 57.45 57.45 1iqo n PHE 19 Cb 0.92 2.27 -0.09 0.00 -0.94 0.00 0.00 39.48 41.65 1iqo n PHE 19 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1iqo n ARG 20 N -3.21 0.59 -0.08 -1.08 1.74 -1.26 -4.60 116.66 108.75 1iqo n ARG 20 Ca 0.00 -3.30 -0.03 0.00 -0.77 0.00 0.00 57.85 53.75 1iqo n ARG 20 Cb 0.00 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1iqo n ARG 20 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1iqo n PRO 21 N 2.05 -0.48 -0.04 5.56 -0.02 -1.26 -4.94 135.00 135.86 1iqo n PRO 21 Ca 0.25 -0.15 -0.11 0.00 -2.02 0.00 0.00 63.50 61.48 1iqo n PRO 21 Cb 0.50 -0.27 -0.14 0.00 -0.02 0.00 0.00 33.50 33.56 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 -2.91 0.76 0.37 6.00 7.35 -1.26 -4.02 117.46 123.75 1iqo n PHE 22 Ca 0.01 0.25 0.06 0.00 -0.76 0.00 0.00 57.45 57.01 1iqo n PHE 22 Cb 0.06 -1.13 0.25 0.00 0.35 0.00 0.00 39.48 39.01 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 -3.05 1.22 -0.26 -2.13 0.24 -1.26 -3.06 118.33 110.03 1iqo n VAL 23 Ca -0.24 0.32 0.33 0.00 -2.04 0.00 0.00 64.34 62.71 1iqo n VAL 23 Cb 1.07 -1.14 0.72 0.00 -1.47 0.00 0.00 33.84 33.03 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 -0.49 -1.34 1.82 -1.93 1.09 116.42 115.57 1iqo h ASP 24 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1iqo h ASP 24 Cb 0.19 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 1iqo h ASP 24 CO 0.00 0.00 0.33 0.10 -1.61 0.00 0.00 179.24 178.06 1iqo h TYR 25 N 0.00 0.61 -0.43 0.28 -0.00 -1.86 -0.63 116.97 114.94 1iqo h TYR 25 Ca 0.51 0.01 0.03 0.00 -0.00 0.00 0.00 58.73 59.29 1iqo h TYR 25 Cb 2.21 -0.21 -0.02 0.00 -0.00 0.00 0.00 36.73 38.71 1iqo h TYR 25 CO 0.00 0.38 0.29 -0.22 -0.00 0.00 0.00 178.16 178.61 1iqo h LYS 26 N 0.65 0.44 0.00 0.10 3.64 0.97 0.61 116.57 122.99 1iqo h LYS 26 Ca 0.18 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1iqo h LYS 26 Cb -0.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1iqo h LYS 26 CO -0.04 0.29 -0.27 0.00 -2.27 0.00 0.00 179.45 177.16 1iqo h ALA 27 N 1.75 1.17 0.00 5.00 0.00 -1.17 -3.07 119.26 122.95 1iqo h ALA 27 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1iqo h ALA 27 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1iqo h ALA 27 CO -0.04 0.34 -0.35 0.41 0.00 0.00 0.00 179.25 179.61 1iqo n GLY 28 N -0.22 4.83 0.00 0.00 0.00 0.42 -4.25 105.19 105.98 1iqo n GLY 28 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1iqo n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iqo n LEU 29 N -1.15 0.00 -2.92 0.99 4.77 0.18 -4.69 117.00 114.18 1iqo n LEU 29 Ca 0.17 0.84 0.04 0.00 -0.03 0.00 0.00 56.01 57.03 1iqo n LEU 29 Cb 0.69 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1iqo n LEU 29 CO -0.02 -0.40 0.55 -0.70 -1.33 0.00 0.00 177.39 175.49 1iqo s GLU 30 N -2.79 0.09 0.00 3.23 2.56 -1.26 -4.98 118.70 115.54 1iqo s GLU 30 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.97 54.99 1iqo s GLU 30 Cb 0.00 0.02 0.00 0.00 2.00 0.00 0.00 34.13 36.15 1iqo s GLU 30 CO 0.00 -0.14 0.00 1.17 -0.56 0.00 0.00 175.26 175.73 1iqo n LYS 31 N 4.30 0.00 -1.68 4.30 4.81 -1.26 -5.08 118.16 123.54 1iqo n LYS 31 Ca 0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.45 1iqo n LYS 31 Cb 0.61 -2.19 0.02 0.00 0.02 0.00 0.00 35.03 33.49 1iqo n LYS 31 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1iqo n LYS 32 N -0.47 0.88 -4.07 1.64 4.76 -1.26 -5.11 118.16 114.53 1iqo n LYS 32 Ca 0.00 -1.05 -0.32 0.00 -2.87 0.00 0.00 58.31 54.06 1iqo n LYS 32 Cb 0.44 -0.07 -0.15 0.00 -1.84 0.00 0.00 35.03 33.40 1iqo n LYS 32 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1iqo s LYS 33 N -2.88 2.48 -0.49 1.97 1.02 -1.26 -5.00 119.74 115.57 1iqo s LYS 33 Ca 0.20 -1.19 -0.03 0.00 0.02 0.00 0.00 55.97 54.97 1iqo s LYS 33 Cb -0.02 -2.82 0.17 0.00 -0.52 0.00 0.00 37.83 34.64 1iqo s LYS 33 CO 0.13 -0.47 2.45 1.28 -0.92 0.00 0.00 175.35 177.82 1iqo n LEU 34 N 4.50 6.71 -2.22 3.17 4.32 -1.26 -4.46 117.00 127.76 1iqo n LEU 34 Ca -0.16 -4.01 -0.24 0.00 -0.02 0.00 0.00 56.01 51.58 1iqo n LEU 34 Cb 0.44 -1.15 0.18 0.00 -1.62 0.00 0.00 43.42 41.27 1iqo n LEU 34 CO 0.23 1.60 1.29 -1.54 -1.22 0.00 0.00 177.39 177.75 1iqo n SER 35 N 0.42 3.87 -0.14 -1.43 3.41 -1.26 -4.85 113.62 113.64 1iqo n SER 35 Ca 0.46 -3.62 -0.02 0.00 -0.26 0.00 0.00 58.87 55.44 1iqo n SER 35 Cb 0.53 -0.84 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 1iqo n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iqo n ASP 36 N -1.14 -4.41 -0.68 4.04 5.75 -1.26 -4.86 116.55 113.99 1iqo n ASP 36 Ca 0.60 0.05 0.04 0.00 -0.01 0.00 0.00 54.79 55.47 1iqo n ASP 36 Cb 1.64 -2.07 0.14 0.00 -1.03 0.00 0.00 41.12 39.80 1iqo n ASP 36 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1iqo n ASP 37 N -0.33 1.94 -4.62 -1.12 5.68 -1.26 -3.15 116.55 113.69 1iqo n ASP 37 Ca -0.02 -2.09 -0.43 0.00 -0.50 0.00 0.00 54.79 51.76 1iqo n ASP 37 Cb 0.26 -0.29 -0.02 0.00 -1.14 0.00 0.00 41.12 39.93 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1iqo s ASP 38 N -0.85 6.76 -0.23 -1.12 2.15 -1.26 -4.89 116.67 117.23 1iqo s ASP 38 Ca 0.21 0.72 -0.03 0.00 0.43 0.00 0.00 52.55 53.88 1iqo s ASP 38 Cb 0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1iqo s ASP 38 CO 0.12 -1.04 -0.06 -1.61 -0.17 0.00 0.00 175.17 172.42 1iqo s GLU 39 N 3.97 3.18 0.17 4.34 8.01 -1.26 -0.28 118.70 136.82 1iqo s GLU 39 Ca 0.45 -0.75 -0.07 0.00 0.01 0.00 0.00 54.97 54.61 1iqo s GLU 39 Cb -0.10 -2.98 -0.02 0.00 -4.31 0.00 0.00 34.13 26.73 1iqo s GLU 39 CO 0.23 -0.27 0.24 0.42 0.01 0.00 0.00 175.26 175.89 1iqo s ILE 40 N 1.42 0.06 -0.10 -1.63 1.09 0.13 -1.64 121.20 120.53 1iqo s ILE 40 Ca 0.04 -1.54 -0.02 0.00 -1.10 0.00 0.00 60.65 58.02 1iqo s ILE 40 Cb -0.15 -1.96 0.04 0.00 -1.06 0.00 0.00 42.46 39.34 1iqo s ILE 40 CO -0.04 -0.29 0.04 0.00 -0.10 0.00 0.00 174.94 174.55 1iqo s ALA 41 N -4.00 0.56 0.17 9.38 0.00 0.91 -1.32 121.76 127.45 1iqo s ALA 41 Ca 0.21 -0.16 -0.20 0.00 0.00 0.00 0.00 51.96 51.81 1iqo s ALA 41 Cb 0.04 -0.83 -0.08 0.00 0.00 0.00 0.00 23.12 22.25 1iqo s ALA 41 CO 0.02 -0.72 0.67 -1.50 0.00 0.00 0.00 175.76 174.23 1iqo s ILE 42 N 2.04 4.61 -0.06 0.00 1.10 -0.81 -2.61 121.20 125.47 1iqo s ILE 42 Ca 0.03 1.28 -0.08 0.00 -0.51 0.00 0.00 60.65 61.38 1iqo s ILE 42 Cb -0.14 -3.90 0.02 0.00 0.15 0.00 0.00 42.46 38.59 1iqo s ILE 42 CO -0.06 0.36 0.21 -0.63 -2.11 0.00 0.00 174.94 172.71 1iqo s ILE 43 N -1.34 0.02 -0.09 2.00 1.01 -1.03 -2.11 121.20 119.65 1iqo s ILE 43 Ca 0.37 -0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.66 1iqo s ILE 43 Cb -0.18 -0.34 0.05 0.00 0.01 0.00 0.00 42.46 42.00 1iqo s ILE 43 CO 0.21 -0.07 0.54 -0.55 0.00 0.00 0.00 174.94 175.07 1iqo s SER 44 N -0.20 -0.51 0.00 3.58 0.15 -0.78 -2.59 113.70 113.35 1iqo s SER 44 Ca -0.03 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1iqo s SER 44 Cb -0.03 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1iqo s SER 44 CO 0.01 -0.43 0.00 -0.38 1.20 0.00 0.00 173.24 173.63 1iqo n ILE 45 N 1.60 0.00 -2.53 6.45 -0.00 -1.26 -1.54 119.36 122.08 1iqo n ILE 45 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1iqo n ILE 45 Cb 0.56 -0.40 0.00 0.00 -0.00 0.00 0.00 39.64 39.80 1iqo n ILE 45 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 1iqo n LYS 46 N -0.86 0.07 -0.32 0.38 -0.00 -1.26 -4.61 118.16 111.57 1iqo n LYS 46 Ca 0.00 -0.13 0.05 0.00 -0.00 0.00 0.00 58.31 58.24 1iqo n LYS 46 Cb 0.00 0.02 0.19 0.00 -0.00 0.00 0.00 35.03 35.24 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 -0.14 1.47 2.72 2.58 0.00 -1.26 -4.87 105.19 105.68 1iqo n GLY 47 Ca -0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 1iqo n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iqo n THR 48 N 0.52 0.00 -2.06 2.61 -2.24 -1.26 -4.67 114.28 107.18 1iqo n THR 48 Ca 0.14 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.88 1iqo n THR 48 Cb 0.52 -1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 67.69 1iqo n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqo n GLN 49 N -0.49 0.00 -1.11 -0.78 1.13 -1.26 -5.15 117.38 109.72 1iqo n GLN 49 Ca -0.04 -0.91 0.14 0.00 -1.94 0.00 0.00 57.00 54.25 1iqo n GLN 49 Cb 0.43 0.31 -0.05 0.00 0.11 0.00 0.00 30.24 31.04 1iqo n GLN 49 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1iqo n SER 50 N 0.06 -6.61 0.00 1.08 2.88 -1.26 -4.94 113.62 104.82 1iqo n SER 50 Ca -0.18 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1iqo n SER 50 Cb 0.71 -3.60 0.00 0.00 -0.75 0.00 0.00 64.21 60.57 1iqo n SER 50 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1iqo n ASN 51 N -3.88 0.00 -1.18 -3.46 2.85 -1.14 -4.64 115.26 103.80 1iqo n ASN 51 Ca -0.03 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.43 1iqo n ASN 51 Cb 0.52 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.54 1iqo n ASN 51 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1iqo n HIS 52 N 0.00 -0.82 -3.69 1.20 8.25 -1.07 -5.00 115.22 114.09 1iqo n HIS 52 Ca 0.00 -0.20 -0.12 0.00 -0.26 0.00 0.00 57.72 57.14 1iqo n HIS 52 Cb 0.00 0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 1iqo n HIS 52 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1iqo s VAL 53 N -2.69 -0.01 0.08 1.59 0.11 -1.26 -2.45 120.40 115.77 1iqo s VAL 53 Ca 0.02 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.15 1iqo s VAL 53 Cb -0.00 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 1iqo s VAL 53 CO 0.02 0.01 -0.15 -0.76 -3.33 0.00 0.00 175.10 170.88 1iqo s LEU 54 N 0.66 2.29 -0.23 2.54 1.43 -1.07 -4.98 118.68 119.32 1iqo s LEU 54 Ca -0.03 -0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 52.24 1iqo s LEU 54 Cb -0.05 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 1iqo s LEU 54 CO -0.04 -0.06 0.57 0.72 0.23 0.00 0.00 176.35 177.76 1iqo s PHE 55 N -1.31 3.31 -0.15 0.29 -0.71 -1.26 -0.07 117.98 118.08 1iqo s PHE 55 Ca -0.00 0.76 -0.29 0.00 -1.04 0.00 0.00 56.93 56.37 1iqo s PHE 55 Cb -0.10 -2.75 -0.06 0.00 -1.21 0.00 0.00 43.02 38.90 1iqo s PHE 55 CO 0.03 -0.24 2.01 -0.51 -1.34 0.00 0.00 175.22 175.17 1iqo s LEU 56 N 2.15 3.84 0.00 -1.99 2.01 -0.65 -4.91 118.68 119.12 1iqo s LEU 56 Ca 0.24 2.05 0.00 0.00 0.01 0.00 0.00 54.13 56.44 1iqo s LEU 56 Cb -0.16 -3.52 0.00 0.00 0.01 0.00 0.00 46.19 42.52 1iqo s LEU 56 CO 0.09 -1.54 0.00 -1.54 1.01 0.00 0.00 176.35 174.37 1iqo n SER 57 N 9.75 0.01 -4.37 2.29 3.41 -1.26 -4.73 113.62 118.72 1iqo n SER 57 Ca 0.24 -0.54 -0.45 0.00 -0.26 0.00 0.00 58.87 57.86 1iqo n SER 57 Cb 0.44 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1iqo n SER 57 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1iqo s SER 58 N -1.00 7.01 1.07 4.04 0.01 -1.26 -5.03 113.70 118.53 1iqo s SER 58 Ca 0.00 -3.00 -0.12 0.00 1.31 0.00 0.00 55.95 54.14 1iqo s SER 58 Cb 0.00 -2.27 0.17 0.00 0.21 0.00 0.00 66.02 64.14 1iqo s SER 58 CO 0.00 -0.56 0.83 0.00 0.41 0.00 0.00 173.24 173.92 1iqo n TYR 59 N 4.09 -3.84 -0.02 2.43 0.18 -1.26 -5.06 117.16 113.68 1iqo n TYR 59 Ca 0.23 -0.74 -0.02 0.00 1.88 0.00 0.00 57.90 59.25 1iqo n TYR 59 Cb 0.44 -0.72 -0.01 0.00 -0.38 0.00 0.00 39.34 38.68 1iqo n TYR 59 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1iqo n ASN 60 N -3.84 0.41 -3.53 9.48 4.13 -1.26 -5.08 115.26 115.56 1iqo n ASN 60 Ca 0.11 0.11 -0.20 0.00 1.68 0.00 0.00 54.58 56.28 1iqo n ASN 60 Cb 0.39 -0.55 -0.04 0.00 -1.54 0.00 0.00 39.78 38.03 1iqo n ASN 60 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1iqo n SER 61 N -2.89 2.36 -2.17 6.41 7.64 -1.26 -5.05 113.62 118.66 1iqo n SER 61 Ca -0.03 -2.45 -0.26 0.00 1.01 0.00 0.00 58.87 57.14 1iqo n SER 61 Cb 0.10 0.37 0.14 0.00 -1.01 0.00 0.00 64.21 63.82 1iqo n SER 61 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1iqo n VAL 62 N -0.76 3.28 -0.05 0.44 0.24 -1.26 -4.25 118.33 115.97 1iqo n VAL 62 Ca -0.11 -2.39 -0.11 0.00 -2.04 0.00 0.00 64.34 59.70 1iqo n VAL 62 Cb 0.41 -0.71 -0.04 0.00 -1.47 0.00 0.00 33.84 32.04 1iqo n VAL 62 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1iqo n ASP 63 N -1.06 1.30 0.07 -1.34 2.03 -1.26 -4.12 116.55 112.17 1iqo n ASP 63 Ca 0.58 0.21 -0.07 0.00 0.52 0.00 0.00 54.79 56.03 1iqo n ASP 63 Cb 1.27 -0.50 0.06 0.00 -0.72 0.00 0.00 41.12 41.24 1iqo n ASP 63 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1iqo h GLU 64 N -0.55 0.28 -0.00 -0.67 4.11 -2.01 -2.98 114.58 112.77 1iqo h GLU 64 Ca -0.21 -0.23 -0.17 0.00 0.07 0.00 0.00 59.36 58.81 1iqo h GLU 64 Cb 0.98 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1iqo h GLU 64 CO -0.13 0.88 -0.80 0.97 0.07 0.00 0.00 179.01 180.00 1iqo h ILE 65 N 0.20 1.51 0.69 -1.06 6.09 -1.84 -2.56 117.51 120.54 1iqo h ILE 65 Ca -0.02 -2.57 -0.03 0.00 -1.37 0.00 0.00 64.86 60.86 1iqo h ILE 65 Cb 1.26 2.40 0.01 0.00 0.47 0.00 0.00 36.82 40.96 1iqo h ILE 65 CO 0.11 0.74 -0.33 -0.09 -3.07 0.00 0.00 178.15 175.51 1iqo h ARG 66 N 0.06 -0.90 -0.09 2.19 2.43 -1.70 -0.79 114.38 115.59 1iqo h ARG 66 Ca -0.02 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1iqo h ARG 66 Cb 1.39 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1iqo h ARG 66 CO 0.11 -0.60 0.06 1.57 -1.51 0.00 0.00 179.97 179.60 1iqo h LYS 67 N -1.21 0.11 0.33 0.20 2.10 -1.64 0.13 116.57 116.60 1iqo h LYS 67 Ca -0.10 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.53 1iqo h LYS 67 Cb 0.72 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1iqo h LYS 67 CO 0.16 0.07 -0.16 0.93 -2.00 0.00 0.00 179.45 178.45 1iqo h GLU 68 N 0.11 -0.43 0.17 0.07 4.39 -1.40 -0.99 114.58 116.50 1iqo h GLU 68 Ca 0.03 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1iqo h GLU 68 Cb -0.01 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1iqo h GLU 68 CO -0.01 -0.10 -0.08 1.25 -1.16 0.00 0.00 179.01 178.91 1iqo h LEU 69 N -0.84 -0.19 -0.74 1.33 5.85 -0.89 -0.43 115.31 119.40 1iqo h LEU 69 Ca -0.05 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.58 1iqo h LEU 69 Cb 0.52 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 1iqo h LEU 69 CO 0.07 0.11 0.35 -0.08 -0.34 0.00 0.00 178.44 178.55 1iqo h GLU 70 N -0.51 0.54 -0.42 1.25 4.81 -0.85 0.32 114.58 119.72 1iqo h GLU 70 Ca -0.02 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1iqo h GLU 70 Cb 0.39 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1iqo h GLU 70 CO 0.04 0.36 -0.13 1.49 -0.73 0.00 0.00 179.01 180.03 1iqo h GLU 71 N 0.56 0.77 -0.06 1.92 4.81 -1.10 -2.14 114.58 119.33 1iqo h GLU 71 Ca 0.38 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1iqo h GLU 71 Cb 0.47 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1iqo h GLU 71 CO -0.32 0.86 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 1iqo n ALA 72 N -2.49 2.58 -0.07 2.92 0.00 -0.17 -2.03 120.51 121.25 1iqo n ALA 72 Ca 0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 1iqo n ALA 72 Cb 0.38 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 0.97 -0.87 0.00 0.00 0.00 0.95 -4.81 105.19 101.42 1iqo n GLY 73 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.81 1.30 -3.01 4.61 0.00 -1.17 -4.71 120.51 113.72 1iqo n ALA 74 Ca -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 1iqo n ALA 74 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.11 0.99 0.00 0.00 4.76 -0.86 -5.09 118.16 117.85 1iqo n LYS 75 Ca 0.00 -0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1iqo n LYS 75 Cb 0.09 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 1iqo n LYS 75 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1iqo n ILE 76 N -1.06 0.00 -1.63 -0.18 -5.35 -1.24 -4.67 119.36 105.23 1iqo n ILE 76 Ca 0.01 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1iqo n ILE 76 Cb 0.03 -1.65 0.00 0.00 -1.74 0.00 0.00 39.64 36.28 1iqo n ILE 76 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1iqo n ASN 77 N -1.65 -2.66 -3.39 7.28 4.05 -1.26 -4.29 115.26 113.34 1iqo n ASN 77 Ca 0.00 0.14 0.03 0.00 0.45 0.00 0.00 54.58 55.20 1iqo n ASN 77 Cb 0.00 -1.48 0.01 0.00 1.23 0.00 0.00 39.78 39.54 1iqo n ASN 77 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1iqo n HIS 78 N -0.01 -0.16 -1.38 1.20 8.25 -1.26 -4.65 115.22 117.21 1iqo n HIS 78 Ca 0.00 -0.49 0.18 0.00 -0.26 0.00 0.00 57.72 57.15 1iqo n HIS 78 Cb 0.01 0.21 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 1iqo n HIS 78 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1iqo n THR 79 N -0.78 0.00 0.00 1.59 -1.04 -1.26 -4.83 114.28 107.96 1iqo n THR 79 Ca 0.05 0.39 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1iqo n THR 79 Cb 0.47 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 1iqo n THR 79 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1iqo n THR 80 N -4.21 0.00 -1.46 12.58 -2.24 -1.26 -4.19 114.28 113.49 1iqo n THR 80 Ca -0.03 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 1iqo n THR 80 Cb 0.64 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1iqo n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1iqo n LEU 81 N 0.00 -0.97 -0.07 3.22 4.77 -1.26 -4.86 117.00 117.83 1iqo n LEU 81 Ca 0.00 0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1iqo n LEU 81 Cb 0.00 -2.69 -0.10 0.00 -2.33 0.00 0.00 43.42 38.31 1iqo n LEU 81 CO 0.00 -1.03 0.16 0.50 -1.33 0.00 0.00 177.39 175.69 1iqo h LYS 82 N 0.01 0.00 -0.51 3.23 3.64 -1.96 -2.78 116.57 118.20 1iqo h LYS 82 Ca -0.33 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.08 1iqo h LYS 82 Cb 1.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1iqo h LYS 82 CO 0.48 0.74 0.34 -0.84 -2.27 0.00 0.00 179.45 177.90 1iqo h ILE 83 N -1.00 1.07 -0.14 2.00 3.07 -1.89 0.17 117.51 120.79 1iqo h ILE 83 Ca -0.05 -0.21 -0.14 0.00 1.55 0.00 0.00 64.86 66.02 1iqo h ILE 83 Cb 0.80 0.41 -0.01 0.00 -0.27 0.00 0.00 36.82 37.76 1iqo h ILE 83 CO -0.03 0.11 -0.51 -0.07 -1.05 0.00 0.00 178.15 176.60 1iqo h LEU 84 N 0.61 0.44 -0.69 0.16 4.07 -1.91 0.81 115.31 118.79 1iqo h LEU 84 Ca 0.20 -0.22 -0.14 0.00 0.08 0.00 0.00 57.88 57.80 1iqo h LEU 84 Cb 0.06 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1iqo h LEU 84 CO -0.05 0.87 -0.65 -0.08 -1.08 0.00 0.00 178.44 177.45 1iqo h GLU 85 N 0.31 0.01 0.00 1.13 4.57 -0.85 0.60 114.58 120.35 1iqo h GLU 85 Ca 0.01 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 1iqo h GLU 85 Cb 1.01 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 1iqo h GLU 85 CO 0.09 0.66 -1.72 0.41 -1.18 0.00 0.00 179.01 177.27 1iqo n GLY 86 N 0.34 -1.12 0.18 1.92 0.00 -0.10 -4.63 105.19 101.77 1iqo n GLY 86 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.78 0.00 1.29 1.61 -0.00 0.28 -5.08 115.22 110.55 1iqo n HIS 87 Ca -0.14 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.68 1iqo n HIS 87 Cb 0.88 -0.63 0.61 0.00 -0.00 0.00 0.00 29.99 30.86 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23