#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 -3.96 -1.56 -1.77 7.35 -1.26 -4.59 117.46 111.67 1iqo n PHE 2 Ca 0.00 2.13 -0.39 0.00 -0.76 0.00 0.00 57.45 58.43 1iqo n PHE 2 Cb 0.00 -3.31 -0.03 0.00 0.35 0.00 0.00 39.48 36.48 1iqo n PHE 2 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1iqo n ILE 3 N -1.75 0.06 -1.96 -2.13 -0.00 -1.26 -4.86 119.36 107.46 1iqo n ILE 3 Ca 0.00 -0.67 -0.35 0.00 -0.00 0.00 0.00 62.75 61.74 1iqo n ILE 3 Cb 0.23 -2.65 -0.04 0.00 -0.00 0.00 0.00 39.64 37.18 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 10.82 1.93 -1.04 -1.39 0.00 -1.26 -4.89 121.76 125.94 1iqo s ALA 4 Ca 1.00 -0.74 -0.23 0.00 0.00 0.00 0.00 51.96 51.99 1iqo s ALA 4 Cb -0.27 -4.37 -0.03 0.00 0.00 0.00 0.00 23.12 18.45 1iqo s ALA 4 CO 0.30 -4.25 1.83 0.95 0.00 0.00 0.00 175.76 174.60 1iqo s THR 5 N 9.94 3.63 0.21 0.00 -4.23 -1.26 -4.18 115.64 119.74 1iqo s THR 5 Ca 0.73 -0.74 -0.32 0.00 -1.18 0.00 0.00 61.69 60.18 1iqo s THR 5 Cb -0.12 -4.47 -0.12 0.00 1.34 0.00 0.00 72.50 69.13 1iqo s THR 5 CO 0.16 -1.25 1.73 -0.22 -0.54 0.00 0.00 174.62 174.50 1iqo s LEU 6 N 8.79 4.37 -0.40 4.79 2.96 0.30 -4.93 118.68 134.56 1iqo s LEU 6 Ca 0.64 2.88 0.07 0.00 -0.22 0.00 0.00 54.13 57.49 1iqo s LEU 6 Cb -0.03 -3.60 0.23 0.00 0.50 0.00 0.00 46.19 43.29 1iqo s LEU 6 CO 0.02 -0.98 0.50 0.29 -1.32 0.00 0.00 176.35 174.86 1iqo n LYS 7 N 4.02 0.58 -2.73 1.98 5.02 -1.26 -1.33 118.16 124.44 1iqo n LYS 7 Ca 0.16 -3.09 -0.41 0.00 -2.02 0.00 0.00 58.31 52.95 1iqo n LYS 7 Cb 0.35 -1.34 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 1iqo n LYS 7 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1iqo s GLY 8 N -0.87 3.03 -0.17 0.72 0.00 -0.86 -4.98 107.32 104.19 1iqo s GLY 8 Ca 0.34 0.58 -0.07 0.00 0.00 0.00 0.00 44.72 45.58 1iqo s GLY 8 CO -0.14 1.42 0.05 -0.42 0.00 0.00 0.00 173.10 174.00 1iqo s ILE 9 N -0.19 4.66 -0.23 0.90 1.01 -1.26 -1.45 121.20 124.63 1iqo s ILE 9 Ca 0.46 -0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.95 1iqo s ILE 9 Cb -0.24 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1iqo s ILE 9 CO 0.30 0.48 0.09 -0.36 0.00 0.00 0.00 174.94 175.45 1iqo s PHE 10 N 0.27 3.15 -0.01 3.97 0.40 0.11 -4.67 117.98 121.21 1iqo s PHE 10 Ca 0.03 -0.18 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1iqo s PHE 10 Cb -0.13 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 1iqo s PHE 10 CO 0.01 -0.17 0.16 -0.08 0.70 0.00 0.00 175.22 175.84 1iqo s THR 11 N 1.28 5.30 0.00 0.64 -1.32 -1.26 -1.56 115.64 118.72 1iqo s THR 11 Ca 0.05 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 1iqo s THR 11 Cb -0.15 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.37 1iqo s THR 11 CO 0.04 0.33 0.00 0.00 -2.21 0.00 0.00 174.62 172.78 1iqo n LEU 12 N 0.98 0.00 -0.00 9.08 -0.00 -0.70 0.02 117.00 126.37 1iqo n LEU 12 Ca -0.11 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.68 1iqo n LEU 12 Cb 0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.81 1iqo n LEU 12 CO 0.43 0.00 -0.55 0.50 -0.00 0.00 0.00 177.39 177.76 1iqo h LYS 13 N 0.00 0.23 -0.11 1.47 3.64 -1.80 -3.34 116.57 116.66 1iqo h LYS 13 Ca 0.00 -0.40 0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1iqo h LYS 13 Cb 0.00 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1iqo h LYS 13 CO 0.00 1.19 0.20 0.22 -2.27 0.00 0.00 179.45 178.79 1iqo h ASP 14 N -0.26 0.00 0.00 4.20 3.58 -1.91 -3.44 116.42 118.60 1iqo h ASP 14 Ca -0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1iqo h ASP 14 Cb 1.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.86 1iqo h ASP 14 CO 0.04 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.40 1iqo n LEU 15 N -3.43 0.00 -2.69 2.28 -0.00 0.10 -4.34 117.00 108.92 1iqo n LEU 15 Ca -0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.65 1iqo n LEU 15 Cb 0.29 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.75 1iqo n LEU 15 CO 0.23 0.00 1.52 -0.81 -0.00 0.00 0.00 177.39 178.33 1iqo n PRO 16 N 0.00 2.64 0.00 1.47 -0.04 -1.26 -4.35 135.00 133.46 1iqo n PRO 16 Ca 0.00 -3.20 0.00 0.00 -0.04 0.00 0.00 63.50 60.26 1iqo n PRO 16 Cb 0.00 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 -0.36 0.00 -1.14 0.54 2.13 -1.26 -0.07 120.64 120.48 1iqo n GLU 17 Ca 0.54 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.30 1iqo n GLU 17 Cb 0.38 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.05 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 0.16 0.14 5.31 2.13 -1.26 -4.82 120.64 122.29 1iqo n GLU 18 Ca 0.00 -0.90 0.00 0.00 0.66 0.00 0.00 57.16 56.92 1iqo n GLU 18 Cb 0.00 0.48 0.00 0.00 0.27 0.00 0.00 31.44 32.19 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 -0.18 -3.69 -3.75 4.31 -0.00 0.89 -5.16 117.46 109.88 1iqo n PHE 19 Ca -0.23 0.93 -0.13 0.00 -0.00 0.00 0.00 57.45 58.02 1iqo n PHE 19 Cb 0.67 2.51 -0.08 0.00 -0.00 0.00 0.00 39.48 42.58 1iqo n PHE 19 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1iqo s ARG 20 N -1.90 0.73 -0.15 -4.13 3.52 -1.04 -5.00 118.95 110.99 1iqo s ARG 20 Ca 0.00 -0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 55.00 1iqo s ARG 20 Cb 0.00 0.32 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 1iqo s ARG 20 CO 0.00 -0.22 1.94 -2.14 -0.81 0.00 0.00 175.30 174.07 1iqo s PRO 21 N -1.82 3.64 -0.14 5.12 0.02 -1.26 -4.22 135.00 136.34 1iqo s PRO 21 Ca -0.10 2.05 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 1iqo s PRO 21 Cb -0.03 -4.20 -0.05 0.00 0.02 0.00 0.00 34.50 30.24 1iqo s PRO 21 CO 0.01 -1.51 -0.28 1.19 -0.33 0.00 0.00 177.00 176.09 1iqo n PHE 22 N 9.41 0.00 0.59 6.54 3.72 -1.26 -4.51 117.46 131.96 1iqo n PHE 22 Ca 0.23 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.71 1iqo n PHE 22 Cb 0.44 -0.40 0.36 0.00 -0.94 0.00 0.00 39.48 38.94 1iqo n PHE 22 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1iqo n VAL 23 N -4.07 0.83 -0.17 -4.37 0.24 -1.26 -3.28 118.33 106.24 1iqo n VAL 23 Ca -0.11 0.21 0.29 0.00 -2.04 0.00 0.00 64.34 62.69 1iqo n VAL 23 Cb 0.41 -0.93 0.70 0.00 -1.47 0.00 0.00 33.84 32.56 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 -0.75 -1.34 3.58 -1.84 0.64 116.42 116.71 1iqo h ASP 24 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1iqo h ASP 24 Cb 0.26 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 1iqo h ASP 24 CO 0.00 0.00 0.49 0.10 -2.88 0.00 0.00 179.24 176.95 1iqo h TYR 25 N 0.00 0.96 -0.89 0.28 -0.00 -1.87 -1.94 116.97 113.52 1iqo h TYR 25 Ca 0.43 0.02 0.02 0.00 -0.00 0.00 0.00 58.73 59.20 1iqo h TYR 25 Cb 1.98 -0.32 -0.05 0.00 -0.00 0.00 0.00 36.73 38.34 1iqo h TYR 25 CO 0.00 0.62 0.59 -0.22 -0.00 0.00 0.00 178.16 179.14 1iqo h LYS 26 N 1.03 1.15 0.00 0.10 3.64 0.01 0.21 116.57 122.71 1iqo h LYS 26 Ca 0.28 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1iqo h LYS 26 Cb -0.10 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.46 1iqo h LYS 26 CO -0.06 0.76 -0.16 0.00 -2.27 0.00 0.00 179.45 177.72 1iqo h ALA 27 N 1.34 1.68 -0.64 5.00 0.00 -1.40 -1.82 119.26 123.42 1iqo h ALA 27 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1iqo h ALA 27 Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1iqo h ALA 27 CO -0.08 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1iqo n GLY 28 N -1.03 2.64 0.41 0.00 0.00 -0.36 -3.63 105.19 103.21 1iqo n GLY 28 Ca -0.02 -0.73 0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 3.78 0.00 -3.96 0.99 3.38 0.25 -3.29 115.31 116.46 1iqo h LEU 29 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1iqo h LEU 29 Cb 1.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1iqo h LEU 29 CO 0.05 0.00 0.03 -1.84 0.09 0.00 0.00 178.44 176.77 1iqo n GLU 30 N -3.52 0.24 -4.19 1.13 0.28 -1.26 -4.97 120.64 108.35 1iqo n GLU 30 Ca 0.09 -0.41 -0.36 0.00 -0.16 0.00 0.00 57.16 56.32 1iqo n GLU 30 Cb 0.76 0.05 -0.02 0.00 1.43 0.00 0.00 31.44 33.65 1iqo n GLU 30 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1iqo n LYS 31 N -0.37 -3.40 0.08 3.44 2.85 -1.24 -4.87 118.16 114.64 1iqo n LYS 31 Ca -0.12 0.39 -0.06 0.00 -1.05 0.00 0.00 58.31 57.48 1iqo n LYS 31 Cb 0.60 -5.14 -0.03 0.00 -0.65 0.00 0.00 35.03 29.81 1iqo n LYS 31 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1iqo h LYS 32 N -1.56 -0.29 -0.80 -1.58 3.11 -1.89 -3.44 116.57 110.11 1iqo h LYS 32 Ca -0.59 0.02 0.11 0.00 -2.81 0.00 0.00 60.65 57.38 1iqo h LYS 32 Cb 1.38 0.07 -0.21 0.00 -1.00 0.00 0.00 32.23 32.47 1iqo h LYS 32 CO 0.77 -0.19 -0.20 0.15 -2.81 0.00 0.00 179.45 177.17 1iqo s LYS 33 N -3.90 0.45 -1.14 1.90 1.02 -1.26 -5.09 119.74 111.73 1iqo s LYS 33 Ca -0.06 0.66 -0.10 0.00 0.02 0.00 0.00 55.97 56.50 1iqo s LYS 33 Cb 0.01 0.35 0.25 0.00 -0.52 0.00 0.00 37.83 37.93 1iqo s LYS 33 CO 0.19 -0.63 1.25 1.28 -0.92 0.00 0.00 175.35 176.52 1iqo n LEU 34 N 5.40 5.57 -4.93 3.17 4.77 -1.26 -4.99 117.00 124.73 1iqo n LEU 34 Ca 0.01 -4.91 -0.25 0.00 -0.03 0.00 0.00 56.01 50.82 1iqo n LEU 34 Cb 0.53 -1.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.15 1iqo n LEU 34 CO -0.04 1.24 0.43 -0.55 -1.33 0.00 0.00 177.39 177.14 1iqo s SER 35 N 1.36 5.69 0.00 -1.43 0.15 -1.26 -5.01 113.70 113.20 1iqo s SER 35 Ca 0.34 0.54 0.22 0.00 0.70 0.00 0.00 55.95 57.74 1iqo s SER 35 Cb -0.06 -1.63 -0.21 0.00 -1.71 0.00 0.00 66.02 62.40 1iqo s SER 35 CO -0.04 -0.92 0.75 0.47 1.20 0.00 0.00 173.24 174.70 1iqo n ASP 36 N -2.38 0.49 -1.27 5.45 8.00 -1.26 -3.99 116.55 121.59 1iqo n ASP 36 Ca 0.03 -0.37 -0.02 0.00 0.71 0.00 0.00 54.79 55.14 1iqo n ASP 36 Cb 0.58 1.37 0.23 0.00 -0.02 0.00 0.00 41.12 43.28 1iqo n ASP 36 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1iqo n ASP 37 N -1.95 3.34 -4.31 -2.24 8.00 -1.26 -4.56 116.55 113.57 1iqo n ASP 37 Ca 0.00 -3.44 -0.28 0.00 0.71 0.00 0.00 54.79 51.77 1iqo n ASP 37 Cb 0.46 -0.64 0.27 0.00 -0.02 0.00 0.00 41.12 41.19 1iqo n ASP 37 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1iqo s ASP 38 N -2.05 0.36 -0.26 -2.24 2.15 -1.26 -4.79 116.67 108.59 1iqo s ASP 38 Ca 0.46 1.41 -0.06 0.00 0.43 0.00 0.00 52.55 54.79 1iqo s ASP 38 Cb 0.40 -2.18 0.13 0.00 -0.30 0.00 0.00 42.92 40.97 1iqo s ASP 38 CO 0.05 -4.57 0.52 -1.61 -0.17 0.00 0.00 175.17 169.40 1iqo s GLU 39 N -4.49 0.45 0.10 4.34 2.02 -1.26 -1.72 118.70 118.15 1iqo s GLU 39 Ca 0.69 1.10 0.01 0.00 0.02 0.00 0.00 54.97 56.79 1iqo s GLU 39 Cb -0.24 0.44 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 1iqo s GLU 39 CO 0.65 -0.35 -0.04 0.42 0.02 0.00 0.00 175.26 175.96 1iqo s ILE 40 N 2.74 0.51 -0.17 -1.63 1.01 -0.60 -2.12 121.20 120.94 1iqo s ILE 40 Ca 0.03 -1.90 -0.14 0.00 0.00 0.00 0.00 60.65 58.63 1iqo s ILE 40 Cb -0.13 -1.71 0.05 0.00 0.01 0.00 0.00 42.46 40.67 1iqo s ILE 40 CO -0.17 -0.83 0.44 0.00 0.00 0.00 0.00 174.94 174.38 1iqo s ALA 41 N -3.74 -1.10 -0.18 9.38 0.00 -1.18 0.06 121.76 125.01 1iqo s ALA 41 Ca 0.13 1.32 -0.04 0.00 0.00 0.00 0.00 51.96 53.37 1iqo s ALA 41 Cb 0.06 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1iqo s ALA 41 CO -0.05 -0.22 -0.03 0.42 0.00 0.00 0.00 175.76 175.88 1iqo s ILE 42 N 0.48 3.81 -0.19 0.00 -1.09 -0.53 -2.92 121.20 120.75 1iqo s ILE 42 Ca -0.02 -0.38 -0.03 0.00 -2.23 0.00 0.00 60.65 57.99 1iqo s ILE 42 Cb -0.04 -2.69 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 1iqo s ILE 42 CO -0.02 0.47 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.47 1iqo s ILE 43 N 0.70 3.46 0.01 2.92 1.01 0.05 -2.03 121.20 127.32 1iqo s ILE 43 Ca -0.02 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1iqo s ILE 43 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 1iqo s ILE 43 CO 0.02 0.45 -0.13 -0.44 0.00 0.00 0.00 174.94 174.84 1iqo s SER 44 N 1.09 1.47 -0.41 3.58 0.01 -0.44 0.11 113.70 119.11 1iqo s SER 44 Ca 0.01 -0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.03 1iqo s SER 44 Cb -0.15 -0.13 0.28 0.00 0.21 0.00 0.00 66.02 66.24 1iqo s SER 44 CO -0.00 0.09 0.71 -0.38 0.41 0.00 0.00 173.24 174.07 1iqo n ILE 45 N 2.38 -0.35 -2.40 1.44 -0.00 -1.26 0.11 119.36 119.29 1iqo n ILE 45 Ca -0.16 -3.42 -0.07 0.00 -0.00 0.00 0.00 62.75 59.11 1iqo n ILE 45 Cb 0.55 -0.47 -0.00 0.00 -0.00 0.00 0.00 39.64 39.72 1iqo n ILE 45 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1iqo n LYS 46 N 1.03 -2.50 -1.03 0.38 4.81 -1.26 -4.77 118.16 114.83 1iqo n LYS 46 Ca 0.18 0.33 -0.26 0.00 -0.87 0.00 0.00 58.31 57.70 1iqo n LYS 46 Cb 0.60 -4.86 -0.06 0.00 0.02 0.00 0.00 35.03 30.73 1iqo n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iqo n GLY 47 N -0.64 3.49 3.51 3.14 0.00 -1.26 -4.65 105.19 108.79 1iqo n GLY 47 Ca -0.08 -1.20 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 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 3.39 -5.84 -4.01 2.61 -2.24 -1.26 -2.28 114.28 104.65 1iqo n THR 48 Ca 0.57 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 62.00 1iqo n THR 48 Cb 0.39 -4.41 -0.02 0.00 -2.10 0.00 0.00 70.33 64.19 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 -2.13 -2.07 -3.89 -0.78 10.64 -1.26 -4.96 117.38 112.92 1iqo n GLN 49 Ca -0.19 0.30 -0.10 0.00 -1.83 0.00 0.00 57.00 55.18 1iqo n GLN 49 Cb 0.62 -4.01 -0.09 0.00 -0.86 0.00 0.00 30.24 25.91 1iqo n GLN 49 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1iqo s SER 50 N -4.13 0.11 0.27 2.61 0.15 -0.97 -5.17 113.70 106.56 1iqo s SER 50 Ca 0.14 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.31 1iqo s SER 50 Cb -0.06 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.52 1iqo s SER 50 CO 0.92 -0.54 0.38 -0.46 1.20 0.00 0.00 173.24 174.74 1iqo n ASN 51 N 0.72 -1.05 -4.11 5.45 6.94 -1.26 -4.12 115.26 117.81 1iqo n ASN 51 Ca -0.19 -2.43 -0.28 0.00 -0.02 0.00 0.00 54.58 51.66 1iqo n ASN 51 Cb 0.59 1.96 -0.17 0.00 -2.36 0.00 0.00 39.78 39.80 1iqo n ASN 51 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1iqo s HIS 52 N -3.44 1.92 -0.48 -2.53 3.76 0.29 -4.95 115.29 109.87 1iqo s HIS 52 Ca 0.22 -0.73 -0.08 0.00 -0.15 0.00 0.00 55.06 54.32 1iqo s HIS 52 Cb -0.01 -1.33 0.12 0.00 1.11 0.00 0.00 32.58 32.47 1iqo s HIS 52 CO 0.16 -0.32 0.33 0.08 -0.85 0.00 0.00 174.74 174.14 1iqo s VAL 53 N 0.46 4.03 0.02 -0.90 1.01 -1.26 -0.77 120.40 122.98 1iqo s VAL 53 Ca -0.15 -1.93 0.03 0.00 0.00 0.00 0.00 61.98 59.93 1iqo s VAL 53 Cb -0.16 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1iqo s VAL 53 CO 0.06 -0.77 -0.03 -0.76 0.00 0.00 0.00 175.10 173.59 1iqo s LEU 54 N 1.21 3.35 -0.18 3.92 1.02 -1.15 -5.06 118.68 121.79 1iqo s LEU 54 Ca 0.07 -0.11 -0.09 0.00 0.02 0.00 0.00 54.13 54.02 1iqo s LEU 54 Cb -0.25 -1.96 -0.05 0.00 0.02 0.00 0.00 46.19 43.96 1iqo s LEU 54 CO -0.02 0.26 0.14 0.12 0.02 0.00 0.00 176.35 176.87 1iqo s PHE 55 N -1.09 3.47 -0.17 0.29 5.36 -1.26 -3.07 117.98 121.50 1iqo s PHE 55 Ca 0.20 0.40 -0.04 0.00 -0.96 0.00 0.00 56.93 56.52 1iqo s PHE 55 Cb -0.11 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 1iqo s PHE 55 CO 0.11 0.42 -0.02 -0.51 -1.46 0.00 0.00 175.22 173.75 1iqo s LEU 56 N -0.03 3.28 -0.50 6.12 1.43 -0.90 -5.00 118.68 123.08 1iqo s LEU 56 Ca 0.10 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1iqo s LEU 56 Cb -0.11 -1.80 0.50 0.00 0.03 0.00 0.00 46.19 44.80 1iqo s LEU 56 CO -0.00 0.15 1.93 -1.54 0.23 0.00 0.00 176.35 177.12 1iqo n SER 57 N 3.67 5.63 -1.54 2.29 3.41 -1.26 -4.26 113.62 121.55 1iqo n SER 57 Ca -0.17 -3.55 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1iqo n SER 57 Cb 0.52 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1iqo n SER 57 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iqo n SER 58 N -0.82 -8.26 -0.95 4.04 3.41 -1.26 -5.01 113.62 104.76 1iqo n SER 58 Ca 0.55 1.16 -0.06 0.00 -0.26 0.00 0.00 58.87 60.27 1iqo n SER 58 Cb 1.09 -4.34 -0.06 0.00 -0.26 0.00 0.00 64.21 60.64 1iqo n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iqo n TYR 59 N -0.34 0.00 -1.37 7.33 0.18 -1.26 -5.15 117.16 116.54 1iqo n TYR 59 Ca 0.00 -0.44 0.00 0.00 1.88 0.00 0.00 57.90 59.34 1iqo n TYR 59 Cb 0.00 0.45 0.00 0.00 -0.38 0.00 0.00 39.34 39.41 1iqo n TYR 59 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1iqo n ASN 60 N 0.01 -1.62 -4.75 9.48 6.94 -1.26 -4.61 115.26 119.46 1iqo n ASN 60 Ca -0.24 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 53.95 1iqo n ASN 60 Cb 0.69 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.04 1iqo n ASN 60 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1iqo s SER 61 N -4.00 6.59 -0.26 0.53 1.04 -1.26 -4.87 113.70 111.47 1iqo s SER 61 Ca 0.00 0.70 -0.38 0.00 0.48 0.00 0.00 55.95 56.75 1iqo s SER 61 Cb 0.00 -2.23 0.15 0.00 0.10 0.00 0.00 66.02 64.05 1iqo s SER 61 CO 0.00 0.11 1.37 0.54 0.98 0.00 0.00 173.24 176.24 1iqo s VAL 62 N 0.22 0.00 0.63 5.02 0.11 -1.26 -5.00 120.40 120.12 1iqo s VAL 62 Ca 0.21 -0.00 0.29 0.00 -2.93 0.00 0.00 61.98 59.55 1iqo s VAL 62 Cb -0.14 -1.08 0.34 0.00 -1.53 0.00 0.00 36.38 33.96 1iqo s VAL 62 CO 0.08 0.00 1.93 -2.24 -3.33 0.00 0.00 175.10 171.54 1iqo h ASP 63 N 2.00 0.00 0.04 3.54 3.04 -1.98 -1.56 116.42 121.50 1iqo h ASP 63 Ca -0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 1iqo h ASP 63 Cb 1.13 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.42 1iqo h ASP 63 CO 0.20 0.00 -0.04 -0.33 -2.04 0.00 0.00 179.24 177.03 1iqo h GLU 64 N 0.00 -0.08 0.00 4.15 4.39 -1.96 -0.33 114.58 120.75 1iqo h GLU 64 Ca 0.09 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1iqo h GLU 64 Cb 0.84 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1iqo h GLU 64 CO -0.00 -0.06 -0.11 -0.84 -1.16 0.00 0.00 179.01 176.84 1iqo h ILE 65 N -0.09 0.53 0.05 3.13 3.07 -1.62 0.55 117.51 123.15 1iqo h ILE 65 Ca 0.00 -0.50 -0.24 0.00 1.55 0.00 0.00 64.86 65.67 1iqo h ILE 65 Cb 0.08 1.33 -0.00 0.00 -0.27 0.00 0.00 36.82 37.96 1iqo h ILE 65 CO -0.01 0.11 -1.05 -0.09 -1.05 0.00 0.00 178.15 176.06 1iqo h ARG 66 N 0.00 0.28 0.13 0.16 1.12 -1.34 -2.83 114.38 111.91 1iqo h ARG 66 Ca -0.00 -0.38 -0.34 0.00 -1.11 0.00 0.00 59.98 58.15 1iqo h ARG 66 Cb 0.32 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.40 1iqo h ARG 66 CO 0.01 1.11 -1.75 -0.22 -3.11 0.00 0.00 179.97 176.02 1iqo h LYS 67 N 0.13 0.28 0.59 0.20 3.64 -0.50 -2.90 116.57 118.01 1iqo h LYS 67 Ca -0.09 -0.49 -0.03 0.00 -1.27 0.00 0.00 60.65 58.77 1iqo h LYS 67 Cb 1.73 0.18 0.01 0.00 -0.41 0.00 0.00 32.23 33.74 1iqo h LYS 67 CO 0.17 1.16 -0.28 1.49 -2.27 0.00 0.00 179.45 179.72 1iqo h GLU 68 N 0.08 -0.77 0.10 1.90 4.81 -0.02 0.27 114.58 120.95 1iqo h GLU 68 Ca -0.33 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1iqo h GLU 68 Cb 2.05 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.61 1iqo h GLU 68 CO 0.14 -0.50 -0.05 -0.07 -0.73 0.00 0.00 179.01 177.81 1iqo h LEU 69 N -0.83 -0.11 -1.89 1.64 4.07 -1.68 -2.40 115.31 114.11 1iqo h LEU 69 Ca -0.08 -0.18 0.11 0.00 0.08 0.00 0.00 57.88 57.81 1iqo h LEU 69 Cb 0.62 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 1iqo h LEU 69 CO 0.13 0.12 0.32 -0.08 -1.08 0.00 0.00 178.44 177.85 1iqo h GLU 70 N -0.34 0.12 -0.35 1.13 4.57 -1.52 0.34 114.58 118.53 1iqo h GLU 70 Ca -0.01 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 1iqo h GLU 70 Cb 0.28 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1iqo h GLU 70 CO 0.02 0.08 -0.01 0.93 -1.18 0.00 0.00 179.01 178.85 1iqo h GLU 71 N 0.12 0.63 0.00 1.92 4.39 -0.08 -2.92 114.58 118.64 1iqo h GLU 71 Ca 0.21 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1iqo h GLU 71 Cb 0.69 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1iqo h GLU 71 CO -0.02 0.75 -0.46 0.00 -1.16 0.00 0.00 179.01 178.12 1iqo h ALA 72 N 0.86 0.77 0.65 3.43 0.00 -0.64 -2.91 119.26 121.41 1iqo h ALA 72 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1iqo h ALA 72 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1iqo h ALA 72 CO 0.02 0.57 -0.47 0.78 0.00 0.00 0.00 179.25 180.15 1iqo h GLY 73 N 3.04 -1.23 -5.00 0.00 0.00 -0.21 -3.43 103.07 96.24 1iqo h GLY 73 Ca -0.00 0.53 -0.12 0.00 0.00 0.00 0.00 47.33 47.73 1iqo h GLY 73 CO 0.06 -0.41 0.01 0.00 0.00 0.00 0.00 176.54 176.21 1iqo n ALA 74 N -2.73 -2.56 -2.01 3.60 0.00 -1.17 -4.88 120.51 110.76 1iqo n ALA 74 Ca -0.13 -0.58 -0.22 0.00 0.00 0.00 0.00 53.44 52.51 1iqo n ALA 74 Cb 0.47 -2.48 0.08 0.00 0.00 0.00 0.00 19.45 17.53 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 0.07 1.99 -0.10 0.00 2.47 -1.10 -5.00 119.74 118.07 1iqo s LYS 75 Ca 0.18 -1.36 -0.33 0.00 -1.56 0.00 0.00 55.97 52.91 1iqo s LYS 75 Cb 0.27 -2.49 -0.10 0.00 -1.46 0.00 0.00 37.83 34.05 1iqo s LYS 75 CO -0.15 -1.16 1.98 0.44 0.16 0.00 0.00 175.35 176.62 1iqo n ILE 76 N -2.54 0.56 -2.51 5.43 -0.00 -1.26 -4.09 119.36 114.95 1iqo n ILE 76 Ca 0.15 -0.17 -0.02 0.00 -0.00 0.00 0.00 62.75 62.70 1iqo n ILE 76 Cb 0.61 -2.05 -0.02 0.00 -0.00 0.00 0.00 39.64 38.18 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 7.81 -4.51 -3.28 7.28 5.15 -1.26 -5.01 115.26 121.44 1iqo n ASN 77 Ca 0.25 1.45 -0.24 0.00 -0.60 0.00 0.00 54.58 55.44 1iqo n ASN 77 Cb 0.33 -4.35 -0.08 0.00 -0.53 0.00 0.00 39.78 35.16 1iqo n ASN 77 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1iqo n HIS 78 N 1.92 -1.15 -2.30 1.20 -0.00 -1.26 -4.90 115.22 108.73 1iqo n HIS 78 Ca -0.17 -3.15 -0.00 0.00 0.46 0.00 0.00 57.72 54.86 1iqo n HIS 78 Cb 0.27 0.29 0.01 0.00 -0.12 0.00 0.00 29.99 30.44 1iqo n HIS 78 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1iqo n THR 79 N 2.54 0.00 0.12 3.57 5.66 -1.26 -4.99 114.28 119.92 1iqo n THR 79 Ca 0.27 -0.10 0.05 0.00 -3.05 0.00 0.00 64.05 61.21 1iqo n THR 79 Cb 0.50 0.45 -0.07 0.00 -1.55 0.00 0.00 70.33 69.66 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 -0.16 0.00 -1.34 1.09 5.66 -1.26 -5.00 114.28 113.28 1iqo n THR 80 Ca -0.03 -0.24 -0.12 0.00 -3.05 0.00 0.00 64.05 60.62 1iqo n THR 80 Cb 0.50 0.47 -0.05 0.00 -1.55 0.00 0.00 70.33 69.70 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 -1.67 -0.74 -0.04 1.09 7.94 -1.26 -4.90 117.00 117.42 1iqo n LEU 81 Ca -0.01 0.29 -0.07 0.00 -1.11 0.00 0.00 56.01 55.11 1iqo n LEU 81 Cb 0.22 -2.01 -0.06 0.00 0.53 0.00 0.00 43.42 42.10 1iqo n LEU 81 CO 0.20 -0.71 0.20 0.11 -1.11 0.00 0.00 177.39 176.08 1iqo h LYS 82 N 0.05 -0.04 -0.65 1.96 1.79 -1.98 -2.85 116.57 114.85 1iqo h LYS 82 Ca -0.24 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.36 1iqo h LYS 82 Cb 0.86 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.48 1iqo h LYS 82 CO 0.35 0.39 0.44 -0.84 -1.08 0.00 0.00 179.45 178.70 1iqo h ILE 83 N -0.99 0.85 -0.27 1.86 3.07 -1.98 0.11 117.51 120.15 1iqo h ILE 83 Ca -0.00 -0.13 -0.13 0.00 1.55 0.00 0.00 64.86 66.14 1iqo h ILE 83 Cb 0.45 0.43 -0.01 0.00 -0.27 0.00 0.00 36.82 37.42 1iqo h ILE 83 CO 0.01 0.07 -0.38 0.25 -1.05 0.00 0.00 178.15 177.05 1iqo h LEU 84 N 0.38 0.67 -0.26 0.16 6.46 -1.97 0.42 115.31 121.18 1iqo h LEU 84 Ca 0.31 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1iqo h LEU 84 Cb 0.69 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1iqo h LEU 84 CO -0.09 0.98 0.00 1.21 -0.62 0.00 0.00 178.44 179.92 1iqo n GLU 85 N -4.04 0.20 -0.09 1.25 0.00 0.25 0.11 120.64 118.32 1iqo n GLU 85 Ca -0.02 0.27 -0.09 0.00 0.00 0.00 0.00 57.16 57.33 1iqo n GLU 85 Cb 0.51 -1.78 -0.16 0.00 0.00 0.00 0.00 31.44 30.01 1iqo n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1iqo n GLY 86 N 0.76 -1.00 0.04 8.31 0.00 -0.38 -4.65 105.19 108.27 1iqo n GLY 86 Ca 0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 1iqo n GLY 86 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1iqo n HIS 87 N -2.78 0.00 1.31 1.61 1.44 0.09 -5.09 115.22 111.80 1iqo n HIS 87 Ca -0.30 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.54 1iqo n HIS 87 Cb 1.13 -0.41 0.36 0.00 0.12 0.00 0.00 29.99 31.20 1iqo n HIS 87 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42