#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxj n GLN 23 N 0.00 3.69 0.00 1.64 7.27 -1.26 -4.14 117.38 124.59 2hxj n GLN 23 Ca 0.00 -4.43 0.00 0.00 0.07 0.00 0.00 57.00 52.64 2hxj n GLN 23 Cb 0.00 -2.58 0.00 0.00 2.41 0.00 0.00 30.24 30.07 2hxj n GLN 23 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2hxj n THR 24 N 2.58 0.00 -2.61 1.69 -2.24 -1.26 -5.03 114.28 107.40 2hxj n THR 24 Ca 0.25 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2hxj n THR 24 Cb 0.38 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 2hxj n THR 24 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2hxj s GLU 25 N -0.98 3.71 0.00 -0.78 2.12 -1.26 -4.37 118.70 117.15 2hxj s GLU 25 Ca 0.00 -1.46 0.00 0.00 0.36 0.00 0.00 54.97 53.87 2hxj s GLU 25 Cb 0.00 -5.36 0.00 0.00 0.26 0.00 0.00 34.13 29.03 2hxj s GLU 25 CO 0.00 -2.17 0.00 -0.89 -0.54 0.00 0.00 175.26 171.66 2hxj n ILE 27 N 6.56 0.00 -0.11 -3.70 -0.00 -1.26 -4.74 119.36 116.11 2hxj n ILE 27 Ca 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 63.06 2hxj n ILE 27 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 40.14 2hxj n ILE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2hxj h ALA 28 N 0.00 0.25 -1.10 -1.39 0.00 -1.93 -2.02 119.26 113.06 2hxj h ALA 28 Ca 0.00 0.14 0.30 0.00 0.00 0.00 0.00 54.91 55.36 2hxj h ALA 28 Cb 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2hxj h ALA 28 CO 0.00 -0.45 0.73 0.22 0.00 0.00 0.00 179.25 179.75 2hxj h ASP 29 N 0.01 0.31 0.04 0.00 -0.00 -1.95 -0.69 116.42 114.13 2hxj h ASP 29 Ca 0.18 0.07 -0.11 0.00 -0.00 0.00 0.00 57.03 57.16 2hxj h ASP 29 Cb 0.27 0.02 -0.00 0.00 -0.00 0.00 0.00 39.33 39.62 2hxj h ASP 29 CO -0.38 0.04 -0.56 -0.74 -0.00 0.00 0.00 179.24 177.60 2hxj h HIS 30 N 0.26 0.16 0.24 0.28 2.76 -1.86 -3.24 115.15 113.76 2hxj h HIS 30 Ca 0.61 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.65 2hxj h HIS 30 Cb 1.81 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.75 2hxj h HIS 30 CO -0.00 1.22 -0.18 0.82 -1.30 0.00 0.00 177.93 178.49 2hxj h ILE 31 N -0.79 0.62 0.00 6.26 2.04 -0.47 0.15 117.51 125.32 2hxj h ILE 31 Ca -0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2hxj h ILE 31 Cb 1.28 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2hxj h ILE 31 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.93 2hxj n TYR 32 N -5.30 0.66 -0.07 1.37 4.02 -0.60 -0.92 117.16 116.32 2hxj n TYR 32 Ca -0.09 0.30 -0.06 0.00 -0.01 0.00 0.00 57.90 58.04 2hxj n TYR 32 Cb 0.21 -0.99 -0.15 0.00 -0.02 0.00 0.00 39.34 38.40 2hxj n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hxj n GLY 33 N -0.74 -1.01 0.11 2.72 0.00 -0.84 -4.48 105.19 100.94 2hxj n GLY 33 Ca 0.00 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 2hxj n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hxj n LYS 34 N -2.73 0.57 -3.42 1.61 4.81 0.46 -4.97 118.16 114.49 2hxj n LYS 34 Ca -0.26 0.49 -0.38 0.00 -0.87 0.00 0.00 58.31 57.30 2hxj n LYS 34 Cb 1.05 -1.68 -0.06 0.00 0.02 0.00 0.00 35.03 34.36 2hxj n LYS 34 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2hxj s TYR 35 N -2.40 3.59 0.18 5.64 1.51 -0.10 -5.01 117.35 120.76 2hxj s TYR 35 Ca -0.32 0.89 -0.08 0.00 -1.01 0.00 0.00 57.07 56.55 2hxj s TYR 35 Cb 0.08 -2.42 0.07 0.00 -0.11 0.00 0.00 41.96 39.58 2hxj s TYR 35 CO 0.56 0.37 1.57 -0.44 -1.11 0.00 0.00 175.55 176.50 2hxj h ASP 36 N 5.91 0.95 -0.15 2.29 3.45 -1.86 -2.99 116.42 124.02 2hxj h ASP 36 Ca -0.45 -0.36 0.01 0.00 0.43 0.00 0.00 57.03 56.66 2hxj h ASP 36 Cb 1.19 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.69 2hxj h ASP 36 CO 0.70 1.13 0.10 -0.37 -1.57 0.00 0.00 179.24 179.23 2hxj h VAL 37 N 0.79 1.01 0.05 -1.35 -1.51 -1.87 0.19 116.25 113.57 2hxj h VAL 37 Ca 0.10 -0.05 -0.32 0.00 -1.23 0.00 0.00 66.70 65.20 2hxj h VAL 37 Cb 0.79 0.84 -0.03 0.00 -2.13 0.00 0.00 31.29 30.76 2hxj h VAL 37 CO 0.07 0.03 -1.77 -0.26 -1.23 0.00 0.00 177.57 174.41 2hxj h PHE 38 N 0.16 0.21 0.08 5.19 -1.00 -1.89 -2.04 116.94 117.64 2hxj h PHE 38 Ca 0.06 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 2hxj h PHE 38 Cb 0.04 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.59 2hxj h PHE 38 CO -0.00 1.30 -0.04 -0.22 -1.61 0.00 0.00 178.31 177.74 2hxj h LYS 39 N 0.03 -0.10 -0.57 1.51 3.64 -1.27 -3.12 116.57 116.70 2hxj h LYS 39 Ca -0.32 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2hxj h LYS 39 Cb 2.02 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 2hxj h LYS 39 CO 0.09 0.11 0.00 0.54 -2.27 0.00 0.00 179.45 177.92 2hxj n ARG 40 N -5.04 2.60 -3.96 1.90 3.00 0.61 -4.97 116.66 110.79 2hxj n ARG 40 Ca -0.08 -1.87 -0.30 0.00 -0.01 0.00 0.00 57.85 55.59 2hxj n ARG 40 Cb 0.15 -1.58 -0.01 0.00 0.00 0.00 0.00 32.46 31.01 2hxj n ARG 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2hxj n PHE 41 N 0.78 -1.62 -3.38 -1.55 3.01 -1.17 -4.99 117.46 108.54 2hxj n PHE 41 Ca 0.17 0.59 -0.35 0.00 1.01 0.00 0.00 57.45 58.87 2hxj n PHE 41 Cb 0.56 -3.44 -0.06 0.00 -0.01 0.00 0.00 39.48 36.53 2hxj n PHE 41 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2hxj s LYS 42 N -6.65 3.96 -0.01 -1.08 1.02 -0.78 -4.71 119.74 111.49 2hxj s LYS 42 Ca 0.15 0.46 -0.35 0.00 0.02 0.00 0.00 55.97 56.26 2hxj s LYS 42 Cb -0.07 -2.95 -0.13 0.00 -0.52 0.00 0.00 37.83 34.17 2hxj s LYS 42 CO 0.91 0.49 1.76 -2.30 -0.92 0.00 0.00 175.35 175.29 2hxj n PRO 43 N 0.84 2.07 -2.92 -1.68 -0.02 -1.26 -4.86 135.00 127.16 2hxj n PRO 43 Ca -0.06 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 2hxj n PRO 43 Cb 0.52 -2.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 2hxj n PRO 43 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2hxj s LEU 44 N 2.90 4.12 0.56 2.45 1.43 -1.26 -0.54 118.68 128.34 2hxj s LEU 44 Ca 0.88 1.60 -0.20 0.00 -1.03 0.00 0.00 54.13 55.38 2hxj s LEU 44 Cb -0.72 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 41.27 2hxj s LEU 44 CO 0.48 -0.20 1.26 0.00 0.23 0.00 0.00 176.35 178.12 2hxj s ALA 45 N -1.91 2.68 0.19 4.21 0.00 0.63 -4.55 121.76 123.01 2hxj s ALA 45 Ca 0.55 1.14 -0.32 0.00 0.00 0.00 0.00 51.96 53.32 2hxj s ALA 45 Cb -0.13 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.38 2hxj s ALA 45 CO 0.18 -1.22 1.72 -0.11 0.00 0.00 0.00 175.76 176.33 2hxj n LEU 46 N -1.28 3.90 0.00 0.00 0.00 -1.26 -2.58 117.00 115.78 2hxj n LEU 46 Ca 0.12 1.06 0.00 0.00 0.00 0.00 0.00 56.01 57.18 2hxj n LEU 46 Cb 0.48 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 42.34 2hxj n LEU 46 CO 0.48 0.13 0.00 0.61 0.00 0.00 0.00 177.39 178.61 2hxj n GLY 47 N 3.94 0.74 0.04 -3.96 0.00 -1.26 -4.93 105.19 99.75 2hxj n GLY 47 Ca 0.16 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.61 2hxj n GLY 47 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2hxj n ILE 48 N -2.78 0.94 -0.03 -0.61 0.13 -1.07 -2.54 119.36 113.41 2hxj n ILE 48 Ca 0.00 0.24 -0.13 0.00 -1.10 0.00 0.00 62.75 61.76 2hxj n ILE 48 Cb 0.14 -1.05 -0.11 0.00 -0.84 0.00 0.00 39.64 37.78 2hxj n ILE 48 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 2hxj h ASP 49 N 0.00 -0.00 0.04 9.51 -0.00 -1.92 -2.35 116.42 121.70 2hxj h ASP 49 Ca 0.00 -0.61 -0.07 0.00 -0.00 0.00 0.00 57.03 56.35 2hxj h ASP 49 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.61 2hxj h ASP 49 CO 0.00 0.61 -0.20 1.56 -0.00 0.00 0.00 179.24 181.21 2hxj h GLN 50 N -0.62 0.30 -0.20 4.15 1.08 -1.91 -2.12 115.11 115.80 2hxj h GLN 50 Ca -0.00 -0.09 -0.16 0.00 -1.45 0.00 0.00 58.65 56.95 2hxj h GLN 50 Cb 0.62 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2hxj h GLN 50 CO 0.00 0.50 -0.50 -0.44 -0.95 0.00 0.00 178.83 177.44 2hxj h ASP 51 N 0.28 0.78 -0.06 1.46 5.19 -1.59 -1.45 116.42 121.04 2hxj h ASP 51 Ca 0.05 -0.57 -0.12 0.00 -0.62 0.00 0.00 57.03 55.77 2hxj h ASP 51 Cb 0.52 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2hxj h ASP 51 CO 0.03 1.21 -0.34 0.25 -3.12 0.00 0.00 179.24 177.28 2hxj h LEU 52 N 0.39 0.57 -0.02 1.55 5.85 -1.18 -0.71 115.31 121.75 2hxj h LEU 52 Ca -0.01 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 2hxj h LEU 52 Cb 1.11 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2hxj h LEU 52 CO 0.11 0.86 -0.21 0.40 -0.34 0.00 0.00 178.44 179.27 2hxj h ILE 53 N 0.46 1.51 -0.32 4.05 2.04 -1.41 -1.88 117.51 121.96 2hxj h ILE 53 Ca 0.05 -1.79 -0.09 0.00 1.00 0.00 0.00 64.86 64.04 2hxj h ILE 53 Cb 0.81 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.48 2hxj h ILE 53 CO 0.07 0.49 -0.16 0.00 0.00 0.00 0.00 178.15 178.55 2hxj h ALA 54 N 0.32 1.13 0.00 1.87 0.00 -1.23 -2.64 119.26 118.71 2hxj h ALA 54 Ca -0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2hxj h ALA 54 Cb 0.91 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2hxj h ALA 54 CO 0.04 0.55 -0.35 0.00 0.00 0.00 0.00 179.25 179.49 2hxj h ALA 55 N 1.31 0.81 -3.02 0.00 0.00 -1.20 -3.39 119.26 113.77 2hxj h ALA 55 Ca 0.09 -0.25 -0.62 0.00 0.00 0.00 0.00 54.91 54.13 2hxj h ALA 55 Cb 0.58 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.93 2hxj h ALA 55 CO 0.04 0.33 -0.66 -0.51 0.00 0.00 0.00 179.25 178.46 2hxj s LEU 56 N -6.27 4.04 0.07 0.00 1.43 -0.71 -4.90 118.68 112.35 2hxj s LEU 56 Ca 0.05 -3.49 0.28 0.00 -1.03 0.00 0.00 54.13 49.94 2hxj s LEU 56 Cb 0.07 -1.40 1.02 0.00 0.03 0.00 0.00 46.19 45.90 2hxj s LEU 56 CO 0.72 -0.14 1.83 -0.81 0.23 0.00 0.00 176.35 178.18 2hxj n PRO 57 N 2.43 0.10 0.00 1.29 -0.04 -1.22 -3.49 135.00 134.06 2hxj n PRO 57 Ca 0.18 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.78 2hxj n PRO 57 Cb 0.36 -1.61 0.33 0.00 -0.04 0.00 0.00 33.50 32.54 2hxj n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hxj n GLN 58 N -1.77 0.13 -4.23 0.54 10.64 -1.26 -4.79 117.38 116.64 2hxj n GLN 58 Ca 0.06 0.19 -0.13 0.00 -1.83 0.00 0.00 57.00 55.30 2hxj n GLN 58 Cb 0.37 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.15 2hxj n GLN 58 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2hxj s TYR 59 N -2.71 1.20 0.19 2.61 2.02 -1.23 -5.16 117.35 114.27 2hxj s TYR 59 Ca 0.11 -1.22 -0.30 0.00 -0.37 0.00 0.00 57.07 55.29 2hxj s TYR 59 Cb 0.09 -0.66 -0.08 0.00 -0.40 0.00 0.00 41.96 40.91 2hxj s TYR 59 CO 0.22 -0.45 1.19 0.34 -1.57 0.00 0.00 175.55 175.28 2hxj s ASP 60 N -3.18 7.10 0.00 2.29 2.15 -1.26 -4.97 116.67 118.80 2hxj s ASP 60 Ca 0.32 2.23 0.07 0.00 0.43 0.00 0.00 52.55 55.60 2hxj s ASP 60 Cb 0.07 -2.61 0.40 0.00 -0.30 0.00 0.00 42.92 40.48 2hxj s ASP 60 CO 0.08 -0.36 0.84 0.00 -0.17 0.00 0.00 175.17 175.56 2hxj n ALA 61 N 2.45 2.00 0.00 3.66 0.00 -1.26 -1.34 120.51 126.02 2hxj n ALA 61 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hxj n ALA 61 Cb 0.45 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2hxj n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hxj n ALA 62 N -0.72 1.55 0.61 0.00 0.00 -1.26 -4.50 120.51 116.19 2hxj n ALA 62 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.56 2hxj n ALA 62 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 2hxj n ALA 62 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hxj n LEU 63 N -1.06 1.20 0.04 0.00 4.77 -0.98 -3.10 117.00 117.86 2hxj n LEU 63 Ca 0.00 -0.68 -0.20 0.00 -0.03 0.00 0.00 56.01 55.10 2hxj n LEU 63 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2hxj n LEU 63 CO 0.00 0.24 -0.61 0.40 -1.33 0.00 0.00 177.39 176.10 2hxj h ILE 64 N 1.05 0.84 0.00 -0.08 1.08 -1.48 -3.32 117.51 115.61 2hxj h ILE 64 Ca 0.00 -2.51 -0.02 0.00 -0.39 0.00 0.00 64.86 61.94 2hxj h ILE 64 Cb 0.42 2.63 -0.00 0.00 -3.07 0.00 0.00 36.82 36.80 2hxj h ILE 64 CO 0.00 0.83 -0.08 0.00 -0.69 0.00 0.00 178.15 178.22 2hxj h ALA 65 N 0.25 0.99 -0.07 1.87 0.00 -1.79 -3.08 119.26 117.43 2hxj h ALA 65 Ca -0.35 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 2hxj h ALA 65 Cb 2.05 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.85 2hxj h ALA 65 CO 0.13 0.09 -0.89 -0.09 0.00 0.00 0.00 179.25 178.49 2hxj h ARG 66 N 0.00 0.73 -0.62 0.00 2.43 -1.64 -2.68 114.38 112.60 2hxj h ARG 66 Ca -0.00 -0.69 -0.03 0.00 -0.81 0.00 0.00 59.98 58.45 2hxj h ARG 66 Cb 0.73 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 2hxj h ARG 66 CO 0.01 1.28 0.25 0.28 -1.51 0.00 0.00 179.97 180.29 2hxj h VAL 67 N 0.44 1.22 -0.38 0.20 2.07 -1.63 -0.49 116.25 117.68 2hxj h VAL 67 Ca -0.09 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.63 2hxj h VAL 67 Cb 1.54 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2hxj h VAL 67 CO 0.18 0.27 -0.29 0.25 0.02 0.00 0.00 177.57 178.00 2hxj h LEU 68 N 0.89 0.83 -0.86 2.57 5.85 -1.58 -1.78 115.31 121.23 2hxj h LEU 68 Ca 0.21 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 2hxj h LEU 68 Cb 0.16 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2hxj h LEU 68 CO -0.02 1.06 -0.25 0.00 -0.34 0.00 0.00 178.44 178.89 2hxj h ALA 69 N 0.99 1.03 -0.34 1.25 0.00 -0.93 -2.06 119.26 119.20 2hxj h ALA 69 Ca 0.08 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2hxj h ALA 69 Cb 0.82 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2hxj h ALA 69 CO 0.07 0.58 -0.05 -0.91 0.00 0.00 0.00 179.25 178.94 2hxj h ASN 70 N 0.50 0.64 -0.56 0.00 2.35 -0.93 -3.15 115.58 114.43 2hxj h ASN 70 Ca 0.07 -0.35 -0.05 0.00 -0.55 0.00 0.00 56.30 55.43 2hxj h ASN 70 Cb 0.69 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 2hxj h ASN 70 CO 0.05 0.83 0.16 -0.74 -1.65 0.00 0.00 177.43 176.09 2hxj h HIS 71 N 0.43 0.92 0.00 1.19 2.76 -1.06 -3.09 115.15 116.29 2hxj h HIS 71 Ca 0.09 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2hxj h HIS 71 Cb 0.54 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2hxj h HIS 71 CO 0.05 0.78 0.00 0.00 -1.30 0.00 0.00 177.93 177.45 2hxj n ARG 73 N -2.66 0.41 -1.76 0.00 1.85 -1.17 -4.59 116.66 108.75 2hxj n ARG 73 Ca 0.02 0.03 -0.42 0.00 -1.00 0.00 0.00 57.85 56.49 2hxj n ARG 73 Cb 0.32 -1.67 -0.02 0.00 -1.05 0.00 0.00 32.46 30.04 2hxj n ARG 73 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2hxj s ARG 74 N -3.27 4.11 0.49 2.89 0.52 -1.13 -4.85 118.95 117.71 2hxj s ARG 74 Ca 0.02 2.60 0.29 0.00 -0.52 0.00 0.00 55.73 58.12 2hxj s ARG 74 Cb 0.13 -3.02 1.37 0.00 0.52 0.00 0.00 34.95 33.95 2hxj s ARG 74 CO 0.79 -0.65 1.80 -1.35 0.02 0.00 0.00 175.30 175.91 2hxj h PRO 75 N 4.92 0.15 -0.11 3.54 0.11 -1.92 -1.11 132.00 137.57 2hxj h PRO 75 Ca -0.47 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 2hxj h PRO 75 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2hxj h PRO 75 CO 0.80 0.10 -0.43 -0.09 -0.21 0.00 0.00 178.00 178.17 2hxj h ARG 76 N 0.15 0.25 -0.17 1.05 2.43 -1.92 -1.52 114.38 114.66 2hxj h ARG 76 Ca 0.57 -0.12 -0.17 0.00 -0.81 0.00 0.00 59.98 59.44 2hxj h ARG 76 Cb 1.92 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.48 2hxj h ARG 76 CO -0.13 0.64 -0.57 -0.92 -1.51 0.00 0.00 179.97 177.48 2hxj h TYR 77 N 0.21 0.90 -0.96 2.20 3.20 -1.45 -2.20 116.97 118.88 2hxj h TYR 77 Ca 0.02 -0.37 0.04 0.00 3.14 0.00 0.00 58.73 61.56 2hxj h TYR 77 Cb 0.84 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.90 2hxj h TYR 77 CO 0.02 1.17 0.63 -0.07 -1.64 0.00 0.00 178.16 178.26 2hxj h LEU 78 N 0.38 1.03 -0.62 2.82 4.07 -1.30 -0.86 115.31 120.84 2hxj h LEU 78 Ca -0.02 -0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.79 2hxj h LEU 78 Cb 1.20 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 2hxj h LEU 78 CO 0.12 0.70 -0.43 0.11 -1.08 0.00 0.00 178.44 177.86 2hxj h LYS 79 N 1.19 0.60 -0.19 1.13 1.57 -1.26 -0.98 116.57 118.63 2hxj h LYS 79 Ca 0.38 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2hxj h LYS 79 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2hxj h LYS 79 CO -0.12 0.92 -0.12 0.00 -0.57 0.00 0.00 179.45 179.55 2hxj h ALA 80 N 1.04 1.44 0.02 3.86 0.00 -0.55 -0.75 119.26 124.32 2hxj h ALA 80 Ca 0.04 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 2hxj h ALA 80 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2hxj h ALA 80 CO 0.08 0.39 -0.95 -0.07 0.00 0.00 0.00 179.25 178.70 2hxj h LEU 81 N 0.29 0.34 -1.66 0.00 3.38 -0.85 -3.08 115.31 113.73 2hxj h LEU 81 Ca 0.06 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2hxj h LEU 81 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2hxj h LEU 81 CO 0.02 1.11 -0.19 0.00 0.09 0.00 0.00 178.44 179.48 2hxj h ALA 82 N 0.86 1.30 -0.08 1.53 0.00 -0.28 -2.23 119.26 120.36 2hxj h ALA 82 Ca -0.06 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 2hxj h ALA 82 Cb 1.60 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2hxj h ALA 82 CO 0.15 0.23 -0.75 -0.09 0.00 0.00 0.00 179.25 178.79 2hxj h ARG 83 N 0.00 0.45 0.00 0.00 2.43 -1.09 -3.46 114.38 112.71 2hxj h ARG 83 Ca -0.00 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2hxj h ARG 83 Cb 0.45 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2hxj h ARG 83 CO 0.02 1.01 0.00 0.41 -1.51 0.00 0.00 179.97 179.91 2hxj n GLY 84 N 0.60 -1.15 7.00 2.80 0.00 -0.84 -5.09 105.19 108.51 2hxj n GLY 84 Ca -0.05 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2hxj n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hxj n GLY 85 N 0.00 -1.88 3.55 -0.02 0.00 -1.26 -4.88 105.19 100.70 2hxj n GLY 85 Ca 0.00 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 2hxj n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hxj n LYS 86 N -0.01 -0.08 -4.12 1.61 4.76 -1.26 -1.84 118.16 117.21 2hxj n LYS 86 Ca 0.00 0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.21 2hxj n LYS 86 Cb 0.00 -2.11 -0.06 0.00 -1.84 0.00 0.00 35.03 31.02 2hxj n LYS 86 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2hxj s ARG 87 N -3.80 2.75 0.09 1.97 0.52 0.19 -4.55 118.95 116.12 2hxj s ARG 87 Ca 0.65 -0.95 0.08 0.00 -0.52 0.00 0.00 55.73 54.99 2hxj s ARG 87 Cb -0.26 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 2hxj s ARG 87 CO 0.59 0.47 -0.20 -0.06 0.02 0.00 0.00 175.30 176.12 2hxj s PHE 88 N -1.75 1.75 0.00 -0.53 0.08 0.29 -1.25 117.98 116.57 2hxj s PHE 88 Ca 0.30 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2hxj s PHE 88 Cb -0.10 -0.97 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 2hxj s PHE 88 CO 0.22 0.17 0.00 -0.40 -0.10 0.00 0.00 175.22 175.11 2hxj n ASP 89 N 1.25 0.00 0.23 1.36 5.68 -0.95 -0.27 116.55 123.85 2hxj n ASP 89 Ca -0.19 -0.70 0.10 0.00 -0.50 0.00 0.00 54.79 53.50 2hxj n ASP 89 Cb 0.54 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.02 2hxj n ASP 89 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2hxj h LEU 90 N 0.00 0.00 -3.58 -2.12 3.38 -1.99 -2.42 115.31 108.58 2hxj h LEU 90 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hxj h LEU 90 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hxj h LEU 90 CO 0.00 0.21 0.00 0.59 0.09 0.00 0.00 178.44 179.33 2hxj n ASN 91 N -3.43 5.75 -3.92 -0.43 3.02 -1.26 -4.65 115.26 110.34 2hxj n ASN 91 Ca -0.00 -2.94 -0.34 0.00 -0.03 0.00 0.00 54.58 51.27 2hxj n ASN 91 Cb 0.40 -0.69 0.01 0.00 -0.61 0.00 0.00 39.78 38.89 2hxj n ASN 91 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2hxj n ASN 92 N 0.61 -3.31 -4.55 6.41 6.94 -0.91 -5.03 115.26 115.41 2hxj n ASN 92 Ca 0.28 -0.98 -0.30 0.00 -0.02 0.00 0.00 54.58 53.56 2hxj n ASN 92 Cb 1.21 -1.24 -0.10 0.00 -2.36 0.00 0.00 39.78 37.28 2hxj n ASN 92 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2hxj s ARG 93 N -6.45 2.11 0.48 -3.83 0.52 -1.26 -4.90 118.95 105.61 2hxj s ARG 93 Ca 0.31 -1.02 -0.24 0.00 -0.52 0.00 0.00 55.73 54.26 2hxj s ARG 93 Cb -0.17 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.94 2hxj s ARG 93 CO 0.75 0.51 1.37 -0.06 0.02 0.00 0.00 175.30 177.90 2hxj s PHE 94 N -1.16 2.48 -0.41 -0.53 0.08 -1.26 -2.25 117.98 114.93 2hxj s PHE 94 Ca 0.20 1.34 0.04 0.00 0.12 0.00 0.00 56.93 58.63 2hxj s PHE 94 Cb -0.11 -3.81 0.18 0.00 -0.57 0.00 0.00 43.02 38.72 2hxj s PHE 94 CO 0.12 -2.70 0.74 0.21 -0.10 0.00 0.00 175.22 173.49 2hxj s LYS 95 N -2.59 0.74 0.00 0.44 2.20 -0.38 -4.84 119.74 115.31 2hxj s LYS 95 Ca 0.64 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2hxj s LYS 95 Cb -0.41 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 35.97 2hxj s LYS 95 CO 0.51 -1.02 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 2hxj n GLY 96 N 3.93 -0.04 3.18 5.54 0.00 -1.26 -4.29 105.19 112.25 2hxj n GLY 96 Ca 0.12 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 2hxj n GLY 96 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hxj s GLU 97 N -1.03 0.90 -0.02 1.61 2.12 -1.26 0.52 118.70 121.54 2hxj s GLU 97 Ca 0.00 -1.28 -0.21 0.00 0.36 0.00 0.00 54.97 53.84 2hxj s GLU 97 Cb 0.00 0.28 -0.05 0.00 0.26 0.00 0.00 34.13 34.62 2hxj s GLU 97 CO 0.00 -0.27 0.60 0.08 -0.54 0.00 0.00 175.26 175.13 2hxj s VAL 98 N -3.98 4.96 0.58 3.70 1.01 -0.77 -4.68 120.40 121.22 2hxj s VAL 98 Ca 0.17 1.25 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 2hxj s VAL 98 Cb 0.06 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2hxj s VAL 98 CO -0.02 0.38 0.94 0.42 0.00 0.00 0.00 175.10 176.82 2hxj s THR 99 N 0.03 4.46 0.19 3.92 -4.23 -1.26 -4.62 115.64 114.13 2hxj s THR 99 Ca 0.31 0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 61.16 2hxj s THR 99 Cb -0.18 -3.75 0.10 0.00 1.34 0.00 0.00 72.50 70.00 2hxj s THR 99 CO 0.17 -0.88 1.83 -0.65 -0.54 0.00 0.00 174.62 174.55 2hxj h PRO 100 N -0.16 0.68 -0.26 3.99 0.10 -1.99 -1.01 132.00 133.36 2hxj h PRO 100 Ca -0.45 -0.04 0.03 0.00 0.10 0.00 0.00 66.00 65.64 2hxj h PRO 100 Cb 1.21 -0.15 -0.03 0.00 0.10 0.00 0.00 31.00 32.13 2hxj h PRO 100 CO 0.62 0.45 0.06 1.49 0.10 0.00 0.00 178.00 180.72 2hxj h GLU 101 N 0.70 0.16 -0.31 1.05 4.81 -1.99 -0.06 114.58 118.94 2hxj h GLU 101 Ca 0.23 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 2hxj h GLU 101 Cb 0.02 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2hxj h GLU 101 CO -0.10 0.11 0.09 0.93 -0.73 0.00 0.00 179.01 179.31 2hxj h GLU 102 N 0.17 0.21 -0.76 1.92 5.08 -1.86 -2.29 114.58 117.05 2hxj h GLU 102 Ca 0.12 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2hxj h GLU 102 Cb 0.12 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2hxj h GLU 102 CO -0.15 0.14 0.50 0.37 -1.00 0.00 0.00 179.01 178.87 2hxj h GLN 103 N 0.22 1.00 -0.47 2.33 4.15 -0.65 -2.12 115.11 119.58 2hxj h GLN 103 Ca 0.14 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.37 2hxj h GLN 103 Cb 0.12 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2hxj h GLN 103 CO -0.16 0.67 -0.21 0.00 -1.93 0.00 0.00 178.83 177.20 2hxj h ALA 104 N 1.28 0.74 -0.27 3.38 0.00 -0.89 -0.49 119.26 123.00 2hxj h ALA 104 Ca 0.28 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2hxj h ALA 104 Cb -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2hxj h ALA 104 CO -0.06 0.67 -0.31 0.82 0.00 0.00 0.00 179.25 180.37 2hxj h ILE 105 N 0.83 1.28 -0.21 0.00 2.04 -1.19 -2.19 117.51 118.07 2hxj h ILE 105 Ca 0.11 -1.41 -0.12 0.00 1.00 0.00 0.00 64.86 64.44 2hxj h ILE 105 Cb 0.77 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2hxj h ILE 105 CO 0.06 0.45 -0.38 0.00 0.00 0.00 0.00 178.15 178.28 2hxj h ALA 106 N 1.18 0.95 -0.07 1.87 0.00 -1.15 -2.19 119.26 119.85 2hxj h ALA 106 Ca 0.06 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2hxj h ALA 106 Cb 0.78 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2hxj h ALA 106 CO 0.06 0.62 -0.40 1.96 0.00 0.00 0.00 179.25 181.49 2hxj h GLN 107 N 0.39 0.16 -0.02 0.00 4.20 -0.75 -2.87 115.11 116.22 2hxj h GLN 107 Ca 0.04 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2hxj h GLN 107 Cb 0.85 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 2hxj h GLN 107 CO 0.07 0.54 -0.11 0.09 -0.67 0.00 0.00 178.83 178.75 2hxj n ASN 108 N -4.04 2.03 -4.78 1.46 3.02 -0.85 -4.33 115.26 107.76 2hxj n ASN 108 Ca -0.02 -1.58 -0.41 0.00 -0.03 0.00 0.00 54.58 52.54 2hxj n ASN 108 Cb 0.46 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 2hxj n ASN 108 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2hxj s HIS 109 N -2.15 2.57 0.57 3.10 2.46 -0.83 -4.80 115.29 116.20 2hxj s HIS 109 Ca 0.30 1.18 0.30 0.00 0.47 0.00 0.00 55.06 57.30 2hxj s HIS 109 Cb 0.20 -4.02 1.45 0.00 -0.13 0.00 0.00 32.58 30.09 2hxj s HIS 109 CO 0.39 -3.00 1.86 -1.35 -2.47 0.00 0.00 174.74 170.17 2hxj h PRO 110 N 2.92 0.00 0.00 2.88 0.11 -1.91 0.12 132.00 136.12 2hxj h PRO 110 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2hxj h PRO 110 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2hxj h PRO 110 CO 0.64 0.00 -0.27 1.19 -0.21 0.00 0.00 178.00 179.35 2hxj n PHE 111 N -3.91 0.17 -0.02 0.65 0.99 -1.26 -4.10 117.46 109.98 2hxj n PHE 111 Ca 0.13 0.05 0.05 0.00 -0.00 0.00 0.00 57.45 57.68 2hxj n PHE 111 Cb 0.83 -0.47 -0.11 0.00 -1.00 0.00 0.00 39.48 38.73 2hxj n PHE 111 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2hxj n VAL 112 N -1.66 0.17 0.15 -4.37 0.31 0.32 -4.98 118.33 108.28 2hxj n VAL 112 Ca 0.06 -0.38 0.02 0.00 -0.01 0.00 0.00 64.34 64.03 2hxj n VAL 112 Cb 0.36 0.02 0.02 0.00 -0.91 0.00 0.00 33.84 33.33 2hxj n VAL 112 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18