#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqo s PHE 2 N 0.00 -0.38 0.06 1.96 5.36 -1.26 -5.11 117.98 118.61 1iqo s PHE 2 Ca 0.00 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 56.62 1iqo s PHE 2 Cb 0.00 0.45 0.00 0.00 -0.34 0.00 0.00 43.02 43.13 1iqo s PHE 2 CO 0.00 -0.35 0.00 -0.89 -1.46 0.00 0.00 175.22 172.52 1iqo n ILE 3 N 0.73-12.51 -3.86 3.12 -0.00 -1.26 -4.99 119.36 100.59 1iqo n ILE 3 Ca -0.10 2.96 -0.30 0.00 -0.00 0.00 0.00 62.75 65.31 1iqo n ILE 3 Cb 0.58 -5.69 -0.15 0.00 -0.00 0.00 0.00 39.64 34.38 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 -0.53 2.30 0.41 -1.39 0.00 -1.26 -5.11 121.76 116.18 1iqo s ALA 4 Ca 0.00 -2.29 -0.25 0.00 0.00 0.00 0.00 51.96 49.42 1iqo s ALA 4 Cb 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 23.12 21.19 1iqo s ALA 4 CO 0.00 -1.77 1.18 0.95 0.00 0.00 0.00 175.76 176.12 1iqo s THR 5 N 0.97 3.09 -0.09 0.00 -4.23 -1.26 -4.75 115.64 109.37 1iqo s THR 5 Ca 0.12 0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 61.51 1iqo s THR 5 Cb -0.20 -3.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 1iqo s THR 5 CO -0.12 0.07 0.03 -0.76 -0.54 0.00 0.00 174.62 173.30 1iqo s LEU 6 N -2.56 3.76 -0.12 4.79 2.01 -1.16 -4.92 118.68 120.47 1iqo s LEU 6 Ca 0.58 0.21 -0.10 0.00 0.01 0.00 0.00 54.13 54.84 1iqo s LEU 6 Cb -0.31 -1.88 0.04 0.00 0.01 0.00 0.00 46.19 44.04 1iqo s LEU 6 CO 0.39 0.38 0.32 -0.54 1.01 0.00 0.00 176.35 177.91 1iqo s LYS 7 N -0.94 0.34 -0.21 1.70 1.02 -1.26 -1.48 119.74 118.92 1iqo s LYS 7 Ca 0.14 0.50 -0.16 0.00 0.02 0.00 0.00 55.97 56.47 1iqo s LYS 7 Cb -0.11 0.10 0.06 0.00 -0.52 0.00 0.00 37.83 37.35 1iqo s LYS 7 CO 0.03 -0.08 0.53 0.20 -0.92 0.00 0.00 175.35 175.11 1iqo s GLY 8 N 0.52 -0.42 -0.56 -3.33 0.00 -1.02 -5.03 107.32 97.48 1iqo s GLY 8 Ca -0.03 1.64 -0.23 0.00 0.00 0.00 0.00 44.72 46.10 1iqo s GLY 8 CO -0.03 1.53 0.88 -0.42 0.00 0.00 0.00 173.10 175.06 1iqo s ILE 9 N 0.69 4.47 -0.14 0.90 1.09 -1.26 -3.00 121.20 123.95 1iqo s ILE 9 Ca -0.03 0.05 -0.08 0.00 -1.10 0.00 0.00 60.65 59.49 1iqo s ILE 9 Cb -0.05 -4.51 -0.04 0.00 -1.06 0.00 0.00 42.46 36.80 1iqo s ILE 9 CO -0.05 -1.10 0.14 -0.36 -0.10 0.00 0.00 174.94 173.47 1iqo s PHE 10 N 3.71 3.55 -0.32 3.97 0.40 -0.48 -4.93 117.98 123.88 1iqo s PHE 10 Ca 0.26 0.47 -0.10 0.00 -0.60 0.00 0.00 56.93 56.96 1iqo s PHE 10 Cb -0.14 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 1iqo s PHE 10 CO 0.17 0.62 0.18 0.95 0.70 0.00 0.00 175.22 177.83 1iqo s THR 11 N -0.66 4.73 0.00 0.64 -4.23 -1.22 -2.59 115.64 112.30 1iqo s THR 11 Ca 0.13 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1iqo s THR 11 Cb -0.12 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1iqo s THR 11 CO 0.02 0.02 0.00 -0.11 -0.54 0.00 0.00 174.62 174.01 1iqo n LEU 12 N 5.01 0.00 -0.04 4.79 7.94 -0.88 0.24 117.00 134.06 1iqo n LEU 12 Ca -0.13 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.61 1iqo n LEU 12 Cb 0.49 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.36 1iqo n LEU 12 CO 0.35 0.00 0.43 0.11 -1.11 0.00 0.00 177.39 177.16 1iqo h LYS 13 N 0.00 0.51 -1.36 1.96 1.79 -1.87 -3.21 116.57 114.39 1iqo h LYS 13 Ca 0.00 -0.37 -0.38 0.00 -2.18 0.00 0.00 60.65 57.72 1iqo h LYS 13 Cb 0.00 0.06 -0.17 0.00 -1.58 0.00 0.00 32.23 30.55 1iqo h LYS 13 CO 0.00 0.99 0.49 -0.25 -1.08 0.00 0.00 179.45 179.60 1iqo n ASP 14 N -4.29 6.19 -0.06 0.86 9.92 0.67 -4.69 116.55 125.16 1iqo n ASP 14 Ca -0.07 -3.16 -0.11 0.00 -0.53 0.00 0.00 54.79 50.92 1iqo n ASP 14 Cb 0.55 -0.99 -0.07 0.00 -0.64 0.00 0.00 41.12 39.96 1iqo n ASP 14 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1iqo h LEU 15 N 2.20 -1.34 -4.16 0.64 -0.00 0.88 -2.29 115.31 111.24 1iqo h LEU 15 Ca 0.35 0.17 -0.20 0.00 -0.00 0.00 0.00 57.88 58.20 1iqo h LEU 15 Cb 1.08 0.54 -0.06 0.00 -0.00 0.00 0.00 40.66 42.22 1iqo h LEU 15 CO 0.88 -0.33 -0.03 -0.81 -0.00 0.00 0.00 178.44 178.14 1iqo n PRO 16 N -4.69 1.93 -0.64 1.13 -0.04 -1.26 -4.19 135.00 127.23 1iqo n PRO 16 Ca -0.03 -0.99 0.50 0.00 -0.04 0.00 0.00 63.50 62.93 1iqo n PRO 16 Cb 0.27 -2.01 0.79 0.00 -0.04 0.00 0.00 33.50 32.50 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 3.41 0.00 0.09 0.54 4.57 -1.75 -0.35 114.58 121.09 1iqo h GLU 17 Ca 0.22 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1iqo h GLU 17 Cb 1.30 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1iqo h GLU 17 CO 0.36 0.00 -0.05 0.93 -1.18 0.00 0.00 179.01 179.07 1iqo h GLU 18 N 0.00 -0.12 0.00 1.92 5.08 -1.89 -3.49 114.58 116.08 1iqo h GLU 18 Ca 0.92 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.29 1iqo h GLU 18 Cb 3.50 0.03 0.00 0.00 0.50 0.00 0.00 28.75 32.78 1iqo h GLU 18 CO -0.13 -0.08 0.00 1.97 -1.00 0.00 0.00 179.01 179.77 1iqo n PHE 19 N -2.44 0.00 -1.65 4.33 1.16 -0.14 -5.13 117.46 113.58 1iqo n PHE 19 Ca -0.02 0.00 -0.47 0.00 -1.87 0.00 0.00 57.45 55.09 1iqo n PHE 19 Cb 0.05 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 37.88 1iqo n PHE 19 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 1iqo n ARG 20 N -0.42 1.93 -3.15 3.97 3.00 -1.26 -4.84 116.66 115.88 1iqo n ARG 20 Ca 0.00 0.69 -0.43 0.00 -0.00 0.00 0.00 57.85 58.11 1iqo n ARG 20 Cb 0.00 -2.43 -0.07 0.00 0.00 0.00 0.00 32.46 29.96 1iqo n ARG 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1iqo s PRO 21 N 0.73 3.21 0.00 -0.14 0.04 -1.26 -4.63 135.00 132.95 1iqo s PRO 21 Ca 0.79 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1iqo s PRO 21 Cb -0.74 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 29.82 1iqo s PRO 21 CO 0.40 -1.04 0.00 0.34 0.04 0.00 0.00 177.00 176.75 1iqo n PHE 22 N 6.15 0.00 0.74 0.56 7.35 -1.26 -4.67 117.46 126.32 1iqo n PHE 22 Ca -0.04 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.74 1iqo n PHE 22 Cb 0.47 0.00 0.42 0.00 0.35 0.00 0.00 39.48 40.72 1iqo n PHE 22 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 1iqo n VAL 23 N -1.20 0.61 -0.08 -2.13 3.14 -1.26 -3.19 118.33 114.22 1iqo n VAL 23 Ca 0.00 0.15 0.26 0.00 -2.96 0.00 0.00 64.34 61.79 1iqo n VAL 23 Cb 0.00 -0.85 0.72 0.00 -1.06 0.00 0.00 33.84 32.65 1iqo n VAL 23 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1iqo h ASP 24 N 0.00 0.00 -0.91 6.55 2.03 -1.90 0.44 116.42 122.64 1iqo h ASP 24 Ca 0.00 0.00 0.14 0.00 -0.73 0.00 0.00 57.03 56.44 1iqo h ASP 24 Cb 0.23 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.66 1iqo h ASP 24 CO 0.00 0.00 0.58 0.10 -1.03 0.00 0.00 179.24 178.89 1iqo h TYR 25 N 0.00 0.88 -0.71 4.15 -0.00 -1.86 -0.07 116.97 119.35 1iqo h TYR 25 Ca 0.34 0.03 0.11 0.00 -0.00 0.00 0.00 58.73 59.21 1iqo h TYR 25 Cb 1.54 -0.28 -0.08 0.00 -0.00 0.00 0.00 36.73 37.91 1iqo h TYR 25 CO 0.00 0.32 0.30 -0.22 -0.00 0.00 0.00 178.16 178.57 1iqo h LYS 26 N 0.74 0.47 0.00 0.10 3.64 -0.39 1.35 116.57 122.49 1iqo h LYS 26 Ca 0.46 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1iqo h LYS 26 Cb 0.68 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1iqo h LYS 26 CO -0.22 0.31 -0.00 0.00 -2.27 0.00 0.00 179.45 177.27 1iqo h ALA 27 N 1.48 1.77 -0.17 5.00 0.00 -1.13 -2.00 119.26 124.21 1iqo h ALA 27 Ca 0.37 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1iqo h ALA 27 Cb 0.48 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.17 1iqo h ALA 27 CO -0.34 0.00 -0.59 0.41 0.00 0.00 0.00 179.25 178.73 1iqo n GLY 28 N -1.43 5.31 2.31 0.00 0.00 0.18 -2.90 105.19 108.67 1iqo n GLY 28 Ca -0.03 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 1iqo n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iqo n LEU 29 N -0.98 3.65 -1.11 0.99 0.00 0.41 -4.17 117.00 115.79 1iqo n LEU 29 Ca 0.24 -2.32 0.00 0.00 0.00 0.00 0.00 56.01 53.93 1iqo n LEU 29 Cb 0.77 -0.91 0.00 0.00 0.00 0.00 0.00 43.42 43.27 1iqo n LEU 29 CO 0.06 0.77 0.00 1.21 0.00 0.00 0.00 177.39 179.43 1iqo n GLU 30 N 3.11 0.00 -3.42 1.96 2.13 -1.26 -4.44 120.64 118.72 1iqo n GLU 30 Ca 0.31 0.09 -0.19 0.00 0.66 0.00 0.00 57.16 58.03 1iqo n GLU 30 Cb 0.43 -1.11 0.08 0.00 0.27 0.00 0.00 31.44 31.11 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 -1.02 -6.75 0.15 5.31 3.00 -1.26 -4.96 118.16 112.64 1iqo n LYS 31 Ca 0.00 0.79 -0.06 0.00 -0.00 0.00 0.00 58.31 59.04 1iqo n LYS 31 Cb 0.37 -5.67 -0.03 0.00 0.00 0.00 0.00 35.03 29.70 1iqo n LYS 31 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1iqo h LYS 32 N -2.09 -0.38 -0.56 1.64 1.63 -1.78 -3.48 116.57 111.56 1iqo h LYS 32 Ca -0.55 0.03 0.23 0.00 -0.85 0.00 0.00 60.65 59.51 1iqo h LYS 32 Cb 1.33 0.09 -0.28 0.00 -0.60 0.00 0.00 32.23 32.76 1iqo h LYS 32 CO 0.49 -0.25 0.53 0.21 -3.45 0.00 0.00 179.45 176.98 1iqo s LYS 33 N -3.37 0.10 -0.57 1.90 2.47 -1.14 -5.05 119.74 114.08 1iqo s LYS 33 Ca -0.06 0.22 0.01 0.00 -1.56 0.00 0.00 55.97 54.58 1iqo s LYS 33 Cb 0.01 0.10 0.43 0.00 -1.46 0.00 0.00 37.83 36.91 1iqo s LYS 33 CO 0.17 -0.03 1.71 1.28 0.16 0.00 0.00 175.35 178.65 1iqo n LEU 34 N 4.24 6.63 -4.31 5.43 7.99 -1.26 -4.76 117.00 130.95 1iqo n LEU 34 Ca -0.10 -4.59 -0.46 0.00 -0.01 0.00 0.00 56.01 50.85 1iqo n LEU 34 Cb 0.55 -0.77 -0.04 0.00 -0.11 0.00 0.00 43.42 43.06 1iqo n LEU 34 CO -0.02 1.77 0.28 -0.55 -1.51 0.00 0.00 177.39 177.36 1iqo s SER 35 N -2.37 6.45 -0.79 -1.43 0.15 -1.26 -4.98 113.70 109.47 1iqo s SER 35 Ca 0.57 -2.27 -0.19 0.00 0.70 0.00 0.00 55.95 54.76 1iqo s SER 35 Cb 0.46 -2.20 -0.18 0.00 -1.71 0.00 0.00 66.02 62.39 1iqo s SER 35 CO -0.08 -0.70 1.97 0.47 1.20 0.00 0.00 173.24 176.10 1iqo n ASP 36 N 4.57 0.46 0.00 5.45 9.92 -1.26 -2.82 116.55 132.87 1iqo n ASP 36 Ca 0.01 -1.83 0.00 0.00 -0.53 0.00 0.00 54.79 52.44 1iqo n ASP 36 Cb 0.43 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 1iqo n ASP 36 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1iqo n ASP 37 N 15.06 0.00 -4.51 -2.24 8.00 -1.26 -5.03 116.55 126.57 1iqo n ASP 37 Ca 0.37 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.41 1iqo n ASP 37 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1iqo n ASP 38 N -0.88 0.18 -4.77 -2.24 2.03 -1.13 -4.83 116.55 104.92 1iqo n ASP 38 Ca 0.00 1.15 -0.36 0.00 0.52 0.00 0.00 54.79 56.11 1iqo n ASP 38 Cb 0.00 -1.14 -0.07 0.00 -0.72 0.00 0.00 41.12 39.18 1iqo n ASP 38 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1iqo s GLU 39 N -1.32 3.91 -0.13 -0.67 2.56 -1.26 -2.07 118.70 119.72 1iqo s GLU 39 Ca 0.61 -0.20 -0.06 0.00 0.00 0.00 0.00 54.97 55.32 1iqo s GLU 39 Cb -0.80 -3.32 0.06 0.00 2.00 0.00 0.00 34.13 32.07 1iqo s GLU 39 CO 0.58 0.46 0.29 0.42 -0.56 0.00 0.00 175.26 176.46 1iqo s ILE 40 N -0.12 -0.21 0.01 -3.70 1.01 -1.07 -2.71 121.20 114.42 1iqo s ILE 40 Ca 0.10 0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.00 1iqo s ILE 40 Cb -0.11 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 1iqo s ILE 40 CO 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 174.94 174.82 1iqo s ALA 41 N 1.77 1.66 -0.05 9.38 0.00 -0.79 -1.38 121.76 132.35 1iqo s ALA 41 Ca -0.05 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1iqo s ALA 41 Cb -0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1iqo s ALA 41 CO -0.10 0.39 -0.21 0.42 0.00 0.00 0.00 175.76 176.26 1iqo s ILE 42 N -0.62 1.75 0.05 0.00 1.09 -1.16 -1.41 121.20 120.88 1iqo s ILE 42 Ca 0.07 -0.89 -0.00 0.00 -1.10 0.00 0.00 60.65 58.73 1iqo s ILE 42 Cb -0.08 -1.49 -0.03 0.00 -1.06 0.00 0.00 42.46 39.79 1iqo s ILE 42 CO 0.00 0.49 -0.04 0.27 -0.10 0.00 0.00 174.94 175.57 1iqo s ILE 43 N -0.02 0.27 0.35 2.92 -4.36 -0.98 -2.43 121.20 116.95 1iqo s ILE 43 Ca -0.05 -1.47 0.09 0.00 -0.26 0.00 0.00 60.65 58.97 1iqo s ILE 43 Cb -0.13 -1.05 -0.06 0.00 1.25 0.00 0.00 42.46 42.47 1iqo s ILE 43 CO 0.03 -0.76 -0.07 -0.55 0.24 0.00 0.00 174.94 173.83 1iqo s SER 44 N -2.34 3.80 -0.31 4.36 0.15 -0.55 -1.12 113.70 117.70 1iqo s SER 44 Ca -0.01 -1.19 0.17 0.00 0.70 0.00 0.00 55.95 55.62 1iqo s SER 44 Cb 0.00 -0.37 0.46 0.00 -1.71 0.00 0.00 66.02 64.39 1iqo s SER 44 CO -0.05 -0.23 1.29 2.30 1.20 0.00 0.00 173.24 177.75 1iqo n ILE 45 N -0.83 0.64 -1.96 6.45 -5.35 -1.26 -2.98 119.36 114.07 1iqo n ILE 45 Ca -0.05 -2.05 -0.13 0.00 -0.27 0.00 0.00 62.75 60.25 1iqo n ILE 45 Cb 0.64 1.11 -0.03 0.00 -1.74 0.00 0.00 39.64 39.62 1iqo n ILE 45 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1iqo n LYS 46 N -0.95 -1.77 -1.32 6.28 0.00 -1.26 -4.79 118.16 114.36 1iqo n LYS 46 Ca -0.04 0.71 -0.38 0.00 0.00 0.00 0.00 58.31 58.60 1iqo n LYS 46 Cb 0.84 -5.15 -0.07 0.00 0.00 0.00 0.00 35.03 30.65 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 -0.56 1.60 5.00 3.14 0.00 -1.26 -4.54 105.19 108.56 1iqo n GLY 47 Ca -0.15 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 6.87 0.00 0.00 2.61 -2.24 -1.26 -3.14 114.28 117.12 1iqo n THR 48 Ca 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 1iqo n THR 48 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1iqo n THR 48 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iqo n GLN 49 N 0.00 0.00 -2.58 -0.78 7.27 -1.26 -5.17 117.38 114.86 1iqo n GLN 49 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.06 1iqo n GLN 49 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 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 0.00 -0.75 -3.96 1.69 3.41 -1.19 -5.17 113.62 107.66 1iqo n SER 50 Ca 0.00 -1.36 -0.10 0.00 -0.26 0.00 0.00 58.87 57.15 1iqo n SER 50 Cb 0.00 1.21 -0.07 0.00 -0.26 0.00 0.00 64.21 65.09 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 -2.13 0.04 -0.09 4.04 4.22 -1.26 -4.23 114.94 115.52 1iqo s ASN 51 Ca 0.11 -0.87 0.02 0.00 -2.14 0.00 0.00 52.86 49.98 1iqo s ASN 51 Cb -0.01 0.44 -0.02 0.00 1.28 0.00 0.00 41.25 42.93 1iqo s ASN 51 CO 0.02 -0.89 -0.13 -1.00 -2.04 0.00 0.00 177.10 173.06 1iqo s HIS 52 N -3.97 2.77 -0.21 1.54 3.76 -0.27 -4.99 115.29 113.92 1iqo s HIS 52 Ca 0.17 -0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 54.60 1iqo s HIS 52 Cb 0.03 -1.74 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 1iqo s HIS 52 CO -0.00 -0.00 0.13 0.54 -0.85 0.00 0.00 174.74 174.56 1iqo s VAL 53 N -0.20 5.30 -0.05 -0.90 0.11 -1.26 -2.32 120.40 121.08 1iqo s VAL 53 Ca 0.00 0.15 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 1iqo s VAL 53 Cb -0.13 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 1iqo s VAL 53 CO 0.03 0.41 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.29 1iqo s LEU 54 N 0.60 1.86 -0.06 2.54 1.43 -0.50 -5.03 118.68 119.53 1iqo s LEU 54 Ca 0.07 -0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 52.63 1iqo s LEU 54 Cb -0.12 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1iqo s LEU 54 CO 0.00 0.12 0.51 -0.36 0.23 0.00 0.00 176.35 176.86 1iqo s PHE 55 N 0.22 3.61 -1.19 0.29 0.08 -1.26 -1.89 117.98 117.84 1iqo s PHE 55 Ca -0.08 1.02 -0.12 0.00 0.12 0.00 0.00 56.93 57.87 1iqo s PHE 55 Cb -0.13 -2.54 0.20 0.00 -0.57 0.00 0.00 43.02 39.99 1iqo s PHE 55 CO 0.03 0.30 1.37 1.28 -0.10 0.00 0.00 175.22 178.10 1iqo n LEU 56 N 3.06 5.37 0.00 -0.37 4.77 -1.10 -4.85 117.00 123.89 1iqo n LEU 56 Ca -0.08 -4.63 0.00 0.00 -0.03 0.00 0.00 56.01 51.27 1iqo n LEU 56 Cb 0.51 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1iqo n LEU 56 CO 0.42 0.93 0.09 -1.20 -1.33 0.00 0.00 177.39 176.30 1iqo n SER 57 N 4.72 0.00 -4.23 -1.43 7.64 -1.26 -4.39 113.62 114.67 1iqo n SER 57 Ca 0.33 0.36 -0.41 0.00 1.01 0.00 0.00 58.87 60.17 1iqo n SER 57 Cb 0.41 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 1iqo n SER 57 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iqo n SER 58 N -1.23 4.14 -3.82 6.43 7.64 -1.26 -4.84 113.62 120.68 1iqo n SER 58 Ca 0.00 -2.84 -0.30 0.00 1.01 0.00 0.00 58.87 56.74 1iqo n SER 58 Cb 0.00 -1.66 -0.14 0.00 -1.01 0.00 0.00 64.21 61.40 1iqo n SER 58 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1iqo s TYR 59 N 4.88 2.47 0.19 1.43 5.04 -1.26 -4.83 117.35 125.27 1iqo s TYR 59 Ca 0.54 -2.47 0.00 0.00 -2.44 0.00 0.00 57.07 52.70 1iqo s TYR 59 Cb 0.07 -2.20 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1iqo s TYR 59 CO 0.04 -0.84 0.00 0.09 -1.34 0.00 0.00 175.55 173.50 1iqo n ASN 60 N 4.00 -0.00 -4.74 4.32 3.02 -1.26 -5.08 115.26 115.51 1iqo n ASN 60 Ca 0.04 0.32 -0.39 0.00 -0.03 0.00 0.00 54.58 54.52 1iqo n ASN 60 Cb 0.38 0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.72 1iqo n ASN 60 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1iqo s SER 61 N -4.85 6.94 1.46 6.41 1.04 -1.26 -5.06 113.70 118.37 1iqo s SER 61 Ca 0.00 1.12 -0.24 0.00 0.48 0.00 0.00 55.95 57.31 1iqo s SER 61 Cb 0.00 -2.37 0.38 0.00 0.10 0.00 0.00 66.02 64.12 1iqo s SER 61 CO 0.00 -0.01 0.91 0.68 0.98 0.00 0.00 173.24 175.81 1iqo s VAL 62 N 0.35 1.08 0.00 5.02 -7.23 -1.26 -3.07 120.40 115.29 1iqo s VAL 62 Ca 0.33 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1iqo s VAL 62 Cb -0.18 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.70 1iqo s VAL 62 CO 0.17 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.43 1iqo n ASP 63 N -5.75 0.00 0.24 4.85 8.00 -1.26 -3.99 116.55 118.63 1iqo n ASP 63 Ca 0.14 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.71 1iqo n ASP 63 Cb 0.61 0.00 0.58 0.00 -0.02 0.00 0.00 41.12 42.29 1iqo n ASP 63 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1iqo h GLU 64 N 0.00 0.00 0.05 -1.24 4.81 -2.00 -0.98 114.58 115.22 1iqo h GLU 64 Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 1iqo h GLU 64 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1iqo h GLU 64 CO 0.00 0.14 -2.26 0.44 -0.73 0.00 0.00 179.01 176.60 1iqo n ILE 65 N -4.21 1.60 0.00 2.32 -5.35 -1.18 -3.68 119.36 108.87 1iqo n ILE 65 Ca -0.02 -0.63 -0.11 0.00 -0.27 0.00 0.00 62.75 61.71 1iqo n ILE 65 Cb 0.22 -1.45 -0.06 0.00 -1.74 0.00 0.00 39.64 36.61 1iqo n ILE 65 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1iqo h ARG 66 N 0.03 0.12 -0.12 6.28 2.43 -1.80 -2.31 114.38 119.00 1iqo h ARG 66 Ca -0.51 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.58 1iqo h ARG 66 Cb 1.98 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.49 1iqo h ARG 66 CO -0.01 0.12 -0.24 0.87 -1.51 0.00 0.00 179.97 179.20 1iqo h LYS 67 N 0.08 0.21 -0.14 0.20 1.57 -1.39 -2.41 116.57 114.68 1iqo h LYS 67 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1iqo h LYS 67 Cb 0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1iqo h LYS 67 CO -0.01 0.44 0.09 0.93 -0.57 0.00 0.00 179.45 180.34 1iqo h GLU 68 N 0.19 0.19 0.05 3.15 4.39 -1.53 -0.52 114.58 120.51 1iqo h GLU 68 Ca 0.03 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1iqo h GLU 68 Cb 0.53 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1iqo h GLU 68 CO 0.04 0.14 -0.03 1.25 -1.16 0.00 0.00 179.01 179.25 1iqo h LEU 69 N 0.19 -0.06 -1.66 1.33 5.85 -1.27 -2.77 115.31 116.91 1iqo h LEU 69 Ca 0.05 -0.25 0.15 0.00 0.84 0.00 0.00 57.88 58.68 1iqo h LEU 69 Cb -0.01 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1iqo h LEU 69 CO -0.01 0.22 0.49 -0.33 -0.34 0.00 0.00 178.44 178.47 1iqo h GLU 70 N -0.34 0.32 -0.55 1.25 4.39 -1.36 0.21 114.58 118.49 1iqo h GLU 70 Ca -0.01 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1iqo h GLU 70 Cb 0.31 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1iqo h GLU 70 CO 0.01 0.21 0.24 0.93 -1.16 0.00 0.00 179.01 179.24 1iqo h GLU 71 N 0.33 0.82 0.00 2.33 5.08 -0.82 -2.32 114.58 120.01 1iqo h GLU 71 Ca 0.35 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1iqo h GLU 71 Cb 0.90 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1iqo h GLU 71 CO -0.10 0.70 -0.03 0.00 -1.00 0.00 0.00 179.01 178.58 1iqo h ALA 72 N 1.08 0.98 0.44 3.43 0.00 -0.70 -2.67 119.26 121.82 1iqo h ALA 72 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1iqo h ALA 72 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1iqo h ALA 72 CO -0.02 0.04 -0.21 0.78 0.00 0.00 0.00 179.25 179.84 1iqo h GLY 73 N 3.63 -0.62 -5.00 0.00 0.00 -0.13 -3.42 103.07 97.53 1iqo h GLY 73 Ca -0.00 0.23 -0.25 0.00 0.00 0.00 0.00 47.33 47.30 1iqo h GLY 73 CO 0.00 -0.22 -0.55 0.00 0.00 0.00 0.00 176.54 175.77 1iqo n ALA 74 N -2.30 1.70 -2.96 3.60 0.00 -1.17 -4.87 120.51 114.51 1iqo n ALA 74 Ca -0.07 -1.72 -0.22 0.00 0.00 0.00 0.00 53.44 51.43 1iqo n ALA 74 Cb 0.23 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 1iqo n ALA 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1iqo s LYS 75 N -0.56 3.44 0.17 0.00 2.47 -1.00 -5.04 119.74 119.20 1iqo s LYS 75 Ca 0.23 -0.73 -0.34 0.00 -1.56 0.00 0.00 55.97 53.57 1iqo s LYS 75 Cb 0.41 -2.90 -0.14 0.00 -1.46 0.00 0.00 37.83 33.74 1iqo s LYS 75 CO -0.06 0.45 1.61 -0.89 0.16 0.00 0.00 175.35 176.61 1iqo n ILE 76 N -1.25 0.01 -2.60 5.43 -0.00 -1.26 -4.05 119.36 115.63 1iqo n ILE 76 Ca -0.09 -0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.63 1iqo n ILE 76 Cb 0.56 -1.61 -0.03 0.00 -0.00 0.00 0.00 39.64 38.56 1iqo n ILE 76 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1iqo n ASN 77 N 3.56 -3.06 -0.09 4.38 4.05 -1.26 -4.99 115.26 117.85 1iqo n ASN 77 Ca 0.17 1.34 -0.10 0.00 0.45 0.00 0.00 54.58 56.44 1iqo n ASN 77 Cb 0.30 -5.17 -0.14 0.00 1.23 0.00 0.00 39.78 36.00 1iqo n ASN 77 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 1iqo n HIS 78 N 1.30 0.00 0.00 1.20 -0.00 -1.26 -4.75 115.22 111.72 1iqo n HIS 78 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.45 1iqo n HIS 78 Cb 0.41 -0.90 0.00 0.00 -0.00 0.00 0.00 29.99 29.50 1iqo n HIS 78 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1iqo n THR 79 N -2.75 0.00 0.00 3.57 -2.24 -1.26 -4.58 114.28 107.02 1iqo n THR 79 Ca -0.32 0.90 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 1iqo n THR 79 Cb 1.07 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 1iqo n THR 79 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1iqo n THR 80 N -0.44 0.00 0.00 4.28 5.66 -1.26 -4.50 114.28 118.02 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 -0.11 -3.05 0.00 0.00 175.07 171.91 1iqo n LEU 81 N 0.00 0.00 -0.07 1.09 0.00 -1.26 -4.82 117.00 111.94 1iqo n LEU 81 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.91 1iqo n LEU 81 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 1iqo n LEU 81 CO 0.00 0.00 0.20 0.11 0.00 0.00 0.00 177.39 177.70 1iqo h LYS 82 N 1.89 0.00 -0.48 1.96 1.79 -1.96 -2.85 116.57 116.92 1iqo h LYS 82 Ca 0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1iqo h LYS 82 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1iqo h LYS 82 CO 0.00 0.66 0.32 -0.84 -1.08 0.00 0.00 179.45 178.51 1iqo h ILE 83 N -1.00 1.06 -0.39 1.86 -0.00 -1.89 -0.49 117.51 116.65 1iqo h ILE 83 Ca -0.02 -0.19 -0.09 0.00 -0.00 0.00 0.00 64.86 64.56 1iqo h ILE 83 Cb 0.69 0.46 -0.02 0.00 -0.00 0.00 0.00 36.82 37.95 1iqo h ILE 83 CO -0.01 0.10 -0.13 0.25 -0.00 0.00 0.00 178.15 178.36 1iqo h LEU 84 N 0.56 0.69 -1.35 0.16 5.85 -1.89 0.40 115.31 119.73 1iqo h LEU 84 Ca 0.19 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1iqo h LEU 84 Cb 0.08 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1iqo h LEU 84 CO -0.05 0.85 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.26 1iqo h GLU 85 N 0.63 0.00 -0.30 1.25 4.39 -0.85 -2.30 114.58 117.41 1iqo h GLU 85 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1iqo h GLU 85 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1iqo h GLU 85 CO 0.04 0.31 0.00 0.41 -1.16 0.00 0.00 179.01 178.61 1iqo n GLY 86 N -0.39 3.26 0.04 -3.84 0.00 -0.86 -4.55 105.19 98.84 1iqo n GLY 86 Ca -0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 0.08 0.00 0.80 1.61 -0.00 0.14 -5.03 115.22 112.81 1iqo n HIS 87 Ca 0.15 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.96 1iqo n HIS 87 Cb 0.59 -0.33 0.08 0.00 -0.00 0.00 0.00 29.99 30.32 1iqo n HIS 87 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62