#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 -1.82 -3.63 1.96 -1.74 -1.26 -5.16 117.46 105.81 1iqo n PHE 2 Ca 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.86 1iqo n PHE 2 Cb 0.00 0.48 -0.03 0.00 1.52 0.00 0.00 39.48 41.45 1iqo n PHE 2 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 1iqo s ILE 3 N -1.97 0.00 -0.40 1.97 2.07 -1.26 -5.13 121.20 116.48 1iqo s ILE 3 Ca 0.00 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.13 1iqo s ILE 3 Cb 0.00 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.64 1iqo s ILE 3 CO 0.00 0.00 0.25 0.00 -1.91 0.00 0.00 174.94 173.28 1iqo s ALA 4 N -1.44 3.31 -0.28 1.50 0.00 -1.26 -5.02 121.76 118.56 1iqo s ALA 4 Ca 0.09 -1.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.07 1iqo s ALA 4 Cb -0.01 -2.66 0.11 0.00 0.00 0.00 0.00 23.12 20.55 1iqo s ALA 4 CO -0.06 -1.54 0.17 0.95 0.00 0.00 0.00 175.76 175.29 1iqo s THR 5 N 1.50 -0.16 0.22 0.00 -4.23 -1.26 -4.25 115.64 107.46 1iqo s THR 5 Ca 0.02 -0.63 0.11 0.00 -1.18 0.00 0.00 61.69 60.01 1iqo s THR 5 Cb -0.21 -0.94 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 1iqo s THR 5 CO 0.05 -0.62 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.55 1iqo s LEU 6 N 2.17 2.50 -0.03 4.79 1.02 -1.08 -5.02 118.68 123.04 1iqo s LEU 6 Ca 0.09 -0.94 -0.01 0.00 0.02 0.00 0.00 54.13 53.29 1iqo s LEU 6 Cb -0.15 -1.01 0.02 0.00 0.02 0.00 0.00 46.19 45.06 1iqo s LEU 6 CO -0.33 0.03 0.06 -0.54 0.02 0.00 0.00 176.35 175.58 1iqo s LYS 7 N -3.08 0.02 0.31 1.70 3.01 -1.26 -0.20 119.74 120.23 1iqo s LYS 7 Ca 0.23 0.18 0.11 0.00 -1.01 0.00 0.00 55.97 55.48 1iqo s LYS 7 Cb -0.06 -0.14 -0.06 0.00 -1.01 0.00 0.00 37.83 36.56 1iqo s LYS 7 CO 0.10 -0.11 -0.15 0.20 0.51 0.00 0.00 175.35 175.90 1iqo s GLY 8 N 0.74 2.02 -0.02 -3.33 0.00 0.76 -4.99 107.32 102.50 1iqo s GLY 8 Ca -0.06 -1.97 0.04 0.00 0.00 0.00 0.00 44.72 42.73 1iqo s GLY 8 CO -0.03 -1.99 -0.13 -0.42 0.00 0.00 0.00 173.10 170.54 1iqo s ILE 9 N -2.55 1.04 -0.64 0.90 -1.09 -1.26 -2.04 121.20 115.56 1iqo s ILE 9 Ca 0.31 -0.52 0.05 0.00 -2.23 0.00 0.00 60.65 58.26 1iqo s ILE 9 Cb -0.02 -0.89 0.29 0.00 -1.58 0.00 0.00 42.46 40.26 1iqo s ILE 9 CO 0.16 0.31 0.87 0.49 -1.23 0.00 0.00 174.94 175.53 1iqo n PHE 10 N 3.06 3.77 -1.93 3.97 3.01 0.29 -4.97 117.46 124.67 1iqo n PHE 10 Ca -0.17 -4.02 -0.33 0.00 1.01 0.00 0.00 57.45 53.94 1iqo n PHE 10 Cb 0.54 -0.56 0.03 0.00 -0.01 0.00 0.00 39.48 39.48 1iqo n PHE 10 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1iqo s THR 11 N -3.31 3.34 0.46 4.37 -4.23 -1.26 -2.24 115.64 112.78 1iqo s THR 11 Ca 0.43 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 1iqo s THR 11 Cb 0.20 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1iqo s THR 11 CO -0.06 -0.34 0.00 0.18 -0.54 0.00 0.00 174.62 173.86 1iqo n LEU 12 N -2.09 -1.30 0.00 4.79 7.99 -0.60 -3.23 117.00 122.56 1iqo n LEU 12 Ca 0.10 2.23 0.00 0.00 -0.01 0.00 0.00 56.01 58.33 1iqo n LEU 12 Cb 0.52 -2.84 0.00 0.00 -0.11 0.00 0.00 43.42 40.99 1iqo n LEU 12 CO 0.46 -0.67 0.00 1.17 -1.51 0.00 0.00 177.39 176.85 1iqo n LYS 13 N -2.53 0.00 0.00 3.23 0.00 -0.15 -1.22 118.16 117.49 1iqo n LYS 13 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1iqo n LYS 13 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.41 1iqo n LYS 13 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1iqo n ASP 14 N 0.00 0.00 -4.55 3.14 5.75 -1.26 -4.60 116.55 115.03 1iqo n ASP 14 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 54.79 54.30 1iqo n ASP 14 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1iqo n ASP 14 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1iqo n LEU 15 N 0.00 2.77 -4.48 -2.12 7.94 -0.36 -4.78 117.00 115.97 1iqo n LEU 15 Ca 0.00 0.48 -0.41 0.00 -1.11 0.00 0.00 56.01 54.96 1iqo n LEU 15 Cb 0.00 -1.38 -0.01 0.00 0.53 0.00 0.00 43.42 42.57 1iqo n LEU 15 CO 0.00 -0.57 2.00 -0.81 -1.11 0.00 0.00 177.39 176.90 1iqo n PRO 16 N 8.00 2.98 -0.16 1.96 -0.04 -1.26 -4.79 135.00 141.69 1iqo n PRO 16 Ca 0.33 -3.11 0.29 0.00 -0.04 0.00 0.00 63.50 60.97 1iqo n PRO 16 Cb 0.31 -3.50 0.70 0.00 -0.04 0.00 0.00 33.50 30.97 1iqo n PRO 16 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1iqo h GLU 17 N 7.64 0.00 0.75 0.54 4.81 -1.92 -1.52 114.58 124.88 1iqo h GLU 17 Ca 0.44 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 1iqo h GLU 17 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1iqo h GLU 17 CO 1.48 0.00 -0.42 1.49 -0.73 0.00 0.00 179.01 180.84 1iqo h GLU 18 N 0.00 -1.04 0.00 1.92 4.57 -2.01 -3.48 114.58 114.55 1iqo h GLU 18 Ca 0.43 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 1iqo h GLU 18 Cb 1.97 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.79 1iqo h GLU 18 CO -0.00 -0.69 0.00 1.19 -1.18 0.00 0.00 179.01 178.32 1iqo n PHE 19 N -5.07 0.00 -4.30 0.92 3.72 -0.57 -5.16 117.46 106.99 1iqo n PHE 19 Ca -0.13 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.04 1iqo n PHE 19 Cb 0.44 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.90 1iqo n PHE 19 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1iqo s ARG 20 N 0.00 2.24 -0.66 -1.08 1.70 -1.26 -4.83 118.95 115.06 1iqo s ARG 20 Ca 0.00 -1.46 -0.33 0.00 -0.47 0.00 0.00 55.73 53.47 1iqo s ARG 20 Cb 0.00 -2.13 -0.16 0.00 -0.57 0.00 0.00 34.95 32.10 1iqo s ARG 20 CO 0.00 0.35 2.43 -0.35 -1.08 0.00 0.00 175.30 176.65 1iqo n PRO 21 N -0.88 0.47 -0.12 3.89 -0.04 -1.26 -4.75 135.00 132.30 1iqo n PRO 21 Ca -0.06 0.07 -0.26 0.00 -0.04 0.00 0.00 63.50 63.21 1iqo n PRO 21 Cb 0.59 -2.12 -0.11 0.00 -0.04 0.00 0.00 33.50 31.82 1iqo n PRO 21 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1iqo n PHE 22 N 10.98 0.49 1.26 0.54 7.35 -1.26 -4.32 117.46 132.50 1iqo n PHE 22 Ca 0.53 0.21 0.14 0.00 -0.76 0.00 0.00 57.45 57.57 1iqo n PHE 22 Cb 0.17 -1.05 0.66 0.00 0.35 0.00 0.00 39.48 39.61 1iqo n PHE 22 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1iqo n VAL 23 N -4.34 0.00 -0.02 -2.13 0.31 -1.26 -3.71 118.33 107.18 1iqo n VAL 23 Ca -0.44 -0.01 0.24 0.00 -0.01 0.00 0.00 64.34 64.12 1iqo n VAL 23 Cb 0.79 -0.39 0.72 0.00 -0.91 0.00 0.00 33.84 34.05 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 0.09 0.00 -0.71 4.52 1.82 -1.87 0.37 116.42 120.65 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 0.38 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.36 1iqo h ASP 24 CO 0.00 0.00 0.38 0.10 -1.61 0.00 0.00 179.24 178.11 1iqo h TYR 25 N 0.00 0.99 0.00 0.28 -0.00 -1.85 -0.78 116.97 115.60 1iqo h TYR 25 Ca 0.29 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.73 58.93 1iqo h TYR 25 Cb 1.41 -0.32 -0.01 0.00 -0.00 0.00 0.00 36.73 37.82 1iqo h TYR 25 CO 0.00 0.69 -0.34 -0.22 -0.00 0.00 0.00 178.16 178.29 1iqo h LYS 26 N 1.01 0.00 0.00 0.10 3.64 -0.54 0.96 116.57 121.75 1iqo h LYS 26 Ca 0.25 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1iqo h LYS 26 Cb 0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1iqo h LYS 26 CO -0.04 0.34 -0.02 0.00 -2.27 0.00 0.00 179.45 177.47 1iqo h ALA 27 N 1.66 1.00 -0.17 5.00 0.00 -1.05 -3.28 119.26 122.42 1iqo h ALA 27 Ca -0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1iqo h ALA 27 Cb 0.70 -0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.10 1iqo h ALA 27 CO 0.04 0.02 -1.04 0.41 0.00 0.00 0.00 179.25 178.68 1iqo n GLY 28 N 0.37 1.53 0.37 0.00 0.00 -0.73 -2.91 105.19 103.81 1iqo n GLY 28 Ca 0.02 -0.98 0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 1.59 0.00 0.00 0.99 3.38 0.87 -3.37 115.31 118.77 1iqo h LEU 29 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1iqo h LEU 29 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1iqo h LEU 29 CO 0.14 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.83 1iqo n GLU 30 N -3.49 0.00 -3.63 1.13 -0.00 -1.26 -4.97 120.64 108.41 1iqo n GLU 30 Ca 0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 57.16 56.97 1iqo n GLU 30 Cb 0.55 0.00 0.07 0.00 -0.00 0.00 0.00 31.44 32.05 1iqo n GLU 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1iqo n LYS 31 N 0.00 -6.91 0.00 3.44 4.81 -1.26 -4.89 118.16 113.35 1iqo n LYS 31 Ca 0.00 0.77 0.11 0.00 -0.87 0.00 0.00 58.31 58.32 1iqo n LYS 31 Cb 0.00 -5.74 0.12 0.00 0.02 0.00 0.00 35.03 29.43 1iqo n LYS 31 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1iqo n LYS 32 N -4.68 0.31 -1.06 1.64 3.00 -1.26 -5.07 118.16 111.04 1iqo n LYS 32 Ca -0.08 -0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.01 1iqo n LYS 32 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.13 1iqo n LYS 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1iqo n LYS 33 N -1.16 -2.81 -3.78 1.64 3.00 -1.15 -4.84 118.16 109.08 1iqo n LYS 33 Ca 0.07 2.17 -0.36 0.00 -0.00 0.00 0.00 58.31 60.19 1iqo n LYS 33 Cb 0.35 -2.68 -0.11 0.00 0.00 0.00 0.00 35.03 32.59 1iqo n LYS 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1iqo s LEU 34 N -4.42 5.21 -0.13 3.14 2.01 -1.26 -4.46 118.68 118.78 1iqo s LEU 34 Ca 0.00 -2.26 -0.07 0.00 0.01 0.00 0.00 54.13 51.81 1iqo s LEU 34 Cb 0.00 -1.82 -0.04 0.00 0.01 0.00 0.00 46.19 44.34 1iqo s LEU 34 CO 0.00 -0.49 0.13 -0.44 1.01 0.00 0.00 176.35 176.57 1iqo s SER 35 N 1.47 6.32 0.00 2.29 0.01 -1.26 -4.98 113.70 117.55 1iqo s SER 35 Ca 0.11 0.42 0.25 0.00 1.31 0.00 0.00 55.95 58.04 1iqo s SER 35 Cb -0.22 -2.05 1.26 0.00 0.21 0.00 0.00 66.02 65.21 1iqo s SER 35 CO -0.04 0.37 1.83 -0.67 0.41 0.00 0.00 173.24 175.15 1iqo n ASP 36 N 2.22 0.00 -1.08 2.44 -0.08 -1.26 -2.80 116.55 115.98 1iqo n ASP 36 Ca -0.19 -0.06 0.06 0.00 -1.51 0.00 0.00 54.79 53.08 1iqo n ASP 36 Cb 0.55 -0.29 0.23 0.00 2.34 0.00 0.00 41.12 43.95 1iqo n ASP 36 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1iqo n ASP 37 N -1.29 3.13 -4.90 1.67 5.68 -1.26 -0.98 116.55 118.59 1iqo n ASP 37 Ca 0.12 -2.24 -0.28 0.00 -0.50 0.00 0.00 54.79 51.88 1iqo n ASP 37 Cb 0.20 -0.44 0.07 0.00 -1.14 0.00 0.00 41.12 39.81 1iqo n ASP 37 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1iqo s ASP 38 N -0.79 4.91 -0.30 -1.12 1.11 -1.12 -4.88 116.67 114.49 1iqo s ASP 38 Ca 0.33 0.79 -0.08 0.00 0.18 0.00 0.00 52.55 53.77 1iqo s ASP 38 Cb 0.20 -1.44 0.15 0.00 1.07 0.00 0.00 42.92 42.90 1iqo s ASP 38 CO 0.17 -1.62 0.63 -1.61 1.18 0.00 0.00 175.17 173.93 1iqo s GLU 39 N -5.39 0.58 0.14 8.23 2.02 -1.26 -1.55 118.70 121.47 1iqo s GLU 39 Ca 0.60 1.34 0.08 0.00 0.02 0.00 0.00 54.97 57.00 1iqo s GLU 39 Cb -0.11 0.79 -0.04 0.00 0.10 0.00 0.00 34.13 34.87 1iqo s GLU 39 CO 0.48 -0.31 -0.18 0.42 0.02 0.00 0.00 175.26 175.69 1iqo s ILE 40 N 2.89 1.73 0.09 -1.63 1.01 -0.95 -2.11 121.20 122.22 1iqo s ILE 40 Ca 0.01 -1.80 0.06 0.00 0.00 0.00 0.00 60.65 58.93 1iqo s ILE 40 Cb -0.13 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1iqo s ILE 40 CO -0.19 -0.26 -0.15 0.00 0.00 0.00 0.00 174.94 174.33 1iqo s ALA 41 N -1.83 1.39 -0.03 9.38 0.00 -1.09 0.11 121.76 129.67 1iqo s ALA 41 Ca 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1iqo s ALA 41 Cb -0.07 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1iqo s ALA 41 CO 0.06 0.18 0.01 0.96 0.00 0.00 0.00 175.76 176.96 1iqo s ILE 42 N -1.55 0.16 -0.33 0.00 -0.00 -0.87 -2.46 121.20 116.16 1iqo s ILE 42 Ca 0.03 0.13 -0.09 0.00 -0.00 0.00 0.00 60.65 60.72 1iqo s ILE 42 Cb -0.08 -0.28 0.01 0.00 -0.00 0.00 0.00 42.46 42.11 1iqo s ILE 42 CO 0.03 0.16 0.15 -0.63 -0.00 0.00 0.00 174.94 174.64 1iqo s ILE 43 N 1.22 4.40 0.06 8.37 1.09 -1.10 -0.17 121.20 135.07 1iqo s ILE 43 Ca -0.07 -0.64 -0.30 0.00 -1.10 0.00 0.00 60.65 58.54 1iqo s ILE 43 Cb -0.13 -3.32 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 1iqo s ILE 43 CO -0.02 -0.03 0.98 -0.44 -0.10 0.00 0.00 174.94 175.34 1iqo s SER 44 N 1.56 7.41 0.01 3.58 0.01 0.73 -3.03 113.70 123.97 1iqo s SER 44 Ca 0.03 1.75 -0.18 0.00 1.31 0.00 0.00 55.95 58.85 1iqo s SER 44 Cb -0.18 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.51 1iqo s SER 44 CO 0.05 -0.18 0.40 -0.63 0.41 0.00 0.00 173.24 173.29 1iqo s ILE 45 N 0.53 0.05 0.00 1.44 1.01 -1.14 -2.62 121.20 120.46 1iqo s ILE 45 Ca 0.50 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1iqo s ILE 45 Cb -0.23 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.40 1iqo s ILE 45 CO 0.29 -0.24 0.57 0.29 0.00 0.00 0.00 174.94 175.85 1iqo n LYS 46 N 0.82 0.00 -1.35 2.79 4.76 -1.26 -3.63 118.16 120.30 1iqo n LYS 46 Ca -0.20 0.30 -0.11 0.00 -2.87 0.00 0.00 58.31 55.44 1iqo n LYS 46 Cb 0.58 -1.07 -0.04 0.00 -1.84 0.00 0.00 35.03 32.66 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iqo n GLY 47 N -0.77 0.96 2.56 0.72 0.00 -1.26 -1.64 105.19 105.76 1iqo n GLY 47 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.75 -0.27 0.10 2.61 -1.04 -1.26 -4.57 114.28 108.10 1iqo n THR 48 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1iqo n THR 48 Cb 0.36 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 1iqo n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iqo n GLN 49 N -2.71 0.00 0.00 -2.82 -0.00 -0.65 -5.12 117.38 106.08 1iqo n GLN 49 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.95 1iqo n GLN 49 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.78 1iqo n GLN 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1iqo n SER 50 N -3.17 0.00 -0.99 2.61 7.64 -1.11 -5.11 113.62 113.50 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 -0.46 -3.01 0.00 0.00 175.04 171.57 1iqo n ASN 51 N 0.00 0.00 -3.95 6.43 6.94 -1.24 -2.91 115.26 120.54 1iqo n ASN 51 Ca 0.00 -0.99 -0.10 0.00 -0.02 0.00 0.00 54.58 53.47 1iqo n ASN 51 Cb 0.00 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1iqo s HIS 52 N -2.24 0.19 0.23 -2.53 -3.43 -1.17 -4.94 115.29 101.41 1iqo s HIS 52 Ca 0.00 -0.40 0.08 0.00 -0.80 0.00 0.00 55.06 53.95 1iqo s HIS 52 Cb 0.00 -0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 30.97 1iqo s HIS 52 CO 0.00 -0.19 0.03 0.54 -2.00 0.00 0.00 174.74 173.11 1iqo s VAL 53 N -1.31 3.68 -0.22 -5.38 0.11 -1.26 -2.72 120.40 113.31 1iqo s VAL 53 Ca -0.14 -1.68 -0.11 0.00 -2.93 0.00 0.00 61.98 57.12 1iqo s VAL 53 Cb -0.09 -2.93 0.08 0.00 -1.53 0.00 0.00 36.38 31.90 1iqo s VAL 53 CO -0.00 -0.28 0.52 -0.76 -3.33 0.00 0.00 175.10 171.24 1iqo s LEU 54 N -3.46 -0.52 0.42 2.54 1.43 -1.03 -5.01 118.68 113.06 1iqo s LEU 54 Ca 0.30 1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 54.31 1iqo s LEU 54 Cb -0.08 1.74 -0.08 0.00 0.03 0.00 0.00 46.19 47.81 1iqo s LEU 54 CO 0.20 -0.22 1.17 0.12 0.23 0.00 0.00 176.35 177.86 1iqo s PHE 55 N 1.75 2.99 -0.08 0.29 5.36 -1.26 -2.68 117.98 124.35 1iqo s PHE 55 Ca -0.08 1.54 0.04 0.00 -0.96 0.00 0.00 56.93 57.47 1iqo s PHE 55 Cb -0.08 -3.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 1iqo s PHE 55 CO -0.15 -1.40 -0.21 -0.51 -1.46 0.00 0.00 175.22 171.49 1iqo s LEU 56 N -2.70 1.98 0.00 6.12 1.02 -0.90 -4.87 118.68 119.34 1iqo s LEU 56 Ca 0.59 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 54.27 1iqo s LEU 56 Cb -0.30 -1.24 0.00 0.00 0.02 0.00 0.00 46.19 44.67 1iqo s LEU 56 CO 0.37 0.15 0.36 -1.20 0.02 0.00 0.00 176.35 176.05 1iqo n SER 57 N 3.42 0.00 -0.63 2.29 7.64 -1.26 -4.09 113.62 120.99 1iqo n SER 57 Ca -0.19 0.36 -0.01 0.00 1.01 0.00 0.00 58.87 60.04 1iqo n SER 57 Cb 0.53 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 1iqo n SER 57 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1iqo n SER 58 N -0.37 -0.14 0.00 6.43 2.88 -1.26 -4.43 113.62 116.72 1iqo n SER 58 Ca 0.00 -1.36 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 1iqo n SER 58 Cb 0.00 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1iqo n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iqo n TYR 59 N 0.02 0.00 0.00 0.66 4.19 -1.26 -4.78 117.16 115.99 1iqo n TYR 59 Ca -0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.16 1iqo n TYR 59 Cb 0.59 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.42 1iqo n TYR 59 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1iqo n ASN 60 N 1.14 0.00 -4.37 2.98 5.03 -1.26 -4.77 115.26 114.00 1iqo n ASN 60 Ca 0.00 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.14 1iqo n ASN 60 Cb 0.00 0.00 0.20 0.00 -1.02 0.00 0.00 39.78 38.96 1iqo n ASN 60 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1iqo n SER 61 N 1.14 -2.02 -4.08 6.41 2.88 -1.26 -5.05 113.62 111.64 1iqo n SER 61 Ca 0.00 -0.08 -0.10 0.00 -1.33 0.00 0.00 58.87 57.36 1iqo n SER 61 Cb 0.00 -1.11 -0.07 0.00 -0.75 0.00 0.00 64.21 62.28 1iqo n SER 61 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1iqo s VAL 62 N -2.33 0.01 0.00 2.46 -7.23 -1.26 -4.78 120.40 107.27 1iqo s VAL 62 Ca 0.61 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1iqo s VAL 62 Cb -0.18 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1iqo s VAL 62 CO 0.66 -0.03 0.00 -0.67 -0.31 0.00 0.00 175.10 174.74 1iqo n ASP 63 N -0.32 0.00 -0.12 4.85 2.03 -1.26 -3.77 116.55 117.97 1iqo n ASP 63 Ca -0.01 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1iqo n ASP 63 Cb 0.64 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.00 0.54 -0.26 -0.67 4.11 -1.99 -1.94 114.58 114.36 1iqo h GLU 64 Ca 0.00 -0.11 -0.16 0.00 0.07 0.00 0.00 59.36 59.16 1iqo h GLU 64 Cb 0.00 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1iqo h GLU 64 CO 0.00 0.55 -0.49 0.97 0.07 0.00 0.00 179.01 180.11 1iqo h ILE 65 N 0.43 1.29 -0.84 -1.06 -0.00 -1.87 -1.82 117.51 113.64 1iqo h ILE 65 Ca 0.12 -1.69 0.00 0.00 -0.00 0.00 0.00 64.86 63.29 1iqo h ILE 65 Cb 0.22 1.61 -0.04 0.00 -0.00 0.00 0.00 36.82 38.61 1iqo h ILE 65 CO -0.01 0.54 0.54 -0.09 -0.00 0.00 0.00 178.15 179.13 1iqo h ARG 66 N 0.57 1.11 0.01 2.19 2.43 -1.80 -1.90 114.38 116.99 1iqo h ARG 66 Ca 0.03 -0.08 -0.19 0.00 -0.81 0.00 0.00 59.98 58.92 1iqo h ARG 66 Cb 1.06 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1iqo h ARG 66 CO 0.10 0.75 -0.91 0.87 -1.51 0.00 0.00 179.97 179.27 1iqo h LYS 67 N 1.14 0.05 0.04 0.20 1.57 -1.27 -3.05 116.57 115.26 1iqo h LYS 67 Ca 0.30 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1iqo h LYS 67 Cb -0.10 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1iqo h LYS 67 CO -0.06 0.92 -0.02 1.49 -0.57 0.00 0.00 179.45 181.21 1iqo h GLU 68 N 0.02 -0.06 0.72 3.15 4.57 -0.64 -1.16 114.58 121.18 1iqo h GLU 68 Ca -0.02 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1iqo h GLU 68 Cb 1.59 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.20 1iqo h GLU 68 CO 0.12 0.08 -0.35 1.25 -1.18 0.00 0.00 179.01 178.94 1iqo h LEU 69 N -0.19 -0.82 -1.93 1.64 5.85 -1.46 -2.15 115.31 116.24 1iqo h LEU 69 Ca -0.01 0.03 0.26 0.00 0.84 0.00 0.00 57.88 59.00 1iqo h LEU 69 Cb 0.17 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1iqo h LEU 69 CO 0.01 -0.52 0.71 1.05 -0.34 0.00 0.00 178.44 179.35 1iqo h GLU 70 N -1.09 0.00 -0.24 1.25 4.11 -1.61 0.31 114.58 117.31 1iqo h GLU 70 Ca -0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.24 1iqo h GLU 70 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1iqo h GLU 70 CO 0.16 0.00 -0.22 1.49 0.07 0.00 0.00 179.01 180.51 1iqo h GLU 71 N 0.00 0.57 0.00 1.06 4.81 -0.92 -2.80 114.58 117.29 1iqo h GLU 71 Ca 0.42 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1iqo h GLU 71 Cb 1.83 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.22 1iqo h GLU 71 CO -0.00 0.88 0.00 0.00 -0.73 0.00 0.00 179.01 179.16 1iqo n ALA 72 N -2.46 2.59 -0.46 2.92 0.00 0.98 -1.91 120.51 122.17 1iqo n ALA 72 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1iqo n ALA 72 Cb 0.42 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.93 -0.08 0.49 0.00 0.00 -0.57 -4.73 105.19 101.24 1iqo n GLY 73 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.75 2.97 -2.00 4.61 0.00 -1.14 -4.98 120.51 118.21 1iqo n ALA 74 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1iqo n ALA 74 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 0.27 3.50 -1.43 0.00 0.00 -0.80 -5.02 118.16 114.67 1iqo n LYS 75 Ca 0.08 0.00 -0.48 0.00 0.00 0.00 0.00 58.31 57.91 1iqo n LYS 75 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.38 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 0.00 1.89 -0.33 3.15 5.41 -1.11 -4.77 119.36 123.60 1iqo n ILE 76 Ca 0.00 -0.47 -0.20 0.00 1.00 0.00 0.00 62.75 63.08 1iqo n ILE 76 Cb 0.00 -0.15 0.19 0.00 -0.71 0.00 0.00 39.64 38.97 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 1.87 -3.37 0.08 4.38 3.02 -1.26 -4.20 115.26 115.78 1iqo n ASN 77 Ca 0.17 -0.57 0.13 0.00 -0.03 0.00 0.00 54.58 54.28 1iqo n ASN 77 Cb 0.25 -0.77 0.34 0.00 -0.61 0.00 0.00 39.78 39.00 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 -4.81 0.76 -2.35 3.10 8.25 -1.26 -4.83 115.22 114.07 1iqo n HIS 78 Ca 0.09 0.22 0.02 0.00 -0.26 0.00 0.00 57.72 57.79 1iqo n HIS 78 Cb 0.39 -0.82 -0.00 0.00 1.12 0.00 0.00 29.99 30.67 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 -2.16 0.00 -0.66 1.59 5.66 -1.26 -4.86 114.28 112.58 1iqo n THR 79 Ca 0.05 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.74 1iqo n THR 79 Cb 0.43 -0.05 0.16 0.00 -1.55 0.00 0.00 70.33 69.32 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 -1.01 0.00 0.36 1.09 5.66 -1.26 -4.87 114.28 114.25 1iqo n THR 80 Ca 0.00 -0.24 0.14 0.00 -3.05 0.00 0.00 64.05 60.90 1iqo n THR 80 Cb 0.06 -0.56 0.42 0.00 -1.55 0.00 0.00 70.33 68.71 1iqo n THR 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1iqo h LEU 81 N -2.12 0.00 -1.96 1.09 4.07 -2.03 -3.21 115.31 111.14 1iqo h LEU 81 Ca -0.49 0.00 0.16 0.00 0.08 0.00 0.00 57.88 57.63 1iqo h LEU 81 Cb 1.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.00 1iqo h LEU 81 CO 0.34 0.00 0.41 0.07 -1.08 0.00 0.00 178.44 178.18 1iqo h LYS 82 N 0.00 0.03 -0.52 1.13 2.10 -1.96 -0.65 116.57 116.70 1iqo h LYS 82 Ca 0.00 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1iqo h LYS 82 Cb 0.70 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.00 1iqo h LYS 82 CO 0.00 0.02 0.34 0.97 -2.00 0.00 0.00 179.45 178.78 1iqo h ILE 83 N 0.04 1.12 -0.91 0.07 2.10 -1.88 -2.08 117.51 115.96 1iqo h ILE 83 Ca 0.28 -0.24 0.03 0.00 1.08 0.00 0.00 64.86 66.01 1iqo h ILE 83 Cb 1.06 0.37 -0.05 0.00 -1.09 0.00 0.00 36.82 37.11 1iqo h ILE 83 CO -0.01 0.13 0.60 0.25 -1.08 0.00 0.00 178.15 178.03 1iqo h LEU 84 N 0.69 1.00 -2.10 2.19 6.46 -1.35 0.65 115.31 122.84 1iqo h LEU 84 Ca 0.19 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1iqo h LEU 84 Cb -0.06 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 39.63 1iqo h LEU 84 CO -0.05 0.70 -0.07 -0.33 -0.62 0.00 0.00 178.44 178.07 1iqo h GLU 85 N 1.17 0.00 0.01 1.25 5.08 -1.28 -2.59 114.58 118.22 1iqo h GLU 85 Ca 0.36 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1iqo h GLU 85 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1iqo h GLU 85 CO -0.11 0.07 -0.05 0.78 -1.00 0.00 0.00 179.01 178.70 1iqo h GLY 86 N 0.32 0.02 0.00 -3.84 0.00 -0.30 -3.46 103.07 95.81 1iqo h GLY 86 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1iqo h GLY 86 CO 0.01 0.05 0.00 -2.39 0.00 0.00 0.00 176.54 174.21 1iqo n HIS 87 N -4.61 0.00 1.09 5.60 1.44 -0.50 -5.12 115.22 113.11 1iqo n HIS 87 Ca -0.10 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.70 1iqo n HIS 87 Cb 0.47 0.00 0.52 0.00 0.12 0.00 0.00 29.99 31.10 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42