#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu s MET 7 N 0.00 0.26 0.00 2.89 -1.94 -1.26 -4.99 119.30 114.26 2hgu s MET 7 Ca 0.00 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 2hgu s MET 7 Cb 0.00 0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.94 2hgu s MET 7 CO 0.00 -0.05 0.00 0.36 -0.01 0.00 0.00 175.02 175.32 2hgu n LYS 8 N 2.01 0.00 -0.83 2.03 2.85 -1.26 -3.80 118.16 119.16 2hgu n LYS 8 Ca -0.20 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.72 2hgu n LYS 8 Cb 0.56 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 35.05 2hgu n LYS 8 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 2hgu n TYR 9 N 0.00 -2.25 -2.87 5.58 0.18 -1.26 -4.22 117.16 112.31 2hgu n TYR 9 Ca 0.00 0.18 -0.12 0.00 1.88 0.00 0.00 57.90 59.84 2hgu n TYR 9 Cb 0.00 -1.67 0.00 0.00 -0.38 0.00 0.00 39.34 37.29 2hgu n TYR 9 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2hgu n ARG 10 N -0.71 -0.68 0.00 -3.48 3.00 -1.26 -4.97 116.66 108.55 2hgu n ARG 10 Ca 0.04 0.36 0.00 0.00 -0.01 0.00 0.00 57.85 58.24 2hgu n ARG 10 Cb 0.56 -0.91 0.00 0.00 0.00 0.00 0.00 32.46 32.10 2hgu n ARG 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2hgu n LYS 11 N -1.16 0.29 0.00 5.56 4.81 -1.26 -5.01 118.16 121.39 2hgu n LYS 11 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 2hgu n LYS 11 Cb 0.29 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.34 2hgu n LYS 11 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2hgu n GLN 12 N 0.00 0.00 -4.51 1.64 0.00 -1.26 -5.15 117.38 108.10 2hgu n GLN 12 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.00 56.76 2hgu n GLN 12 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.13 2hgu n GLN 12 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2hgu s GLN 13 N -1.05 1.75 0.00 3.69 -1.52 -1.26 -5.12 119.66 116.15 2hgu s GLN 13 Ca 0.00 -1.98 0.00 0.00 -1.95 0.00 0.00 55.36 51.43 2hgu s GLN 13 Cb 0.00 -1.14 0.00 0.00 -0.22 0.00 0.00 33.01 31.65 2hgu s GLN 13 CO 0.00 -0.13 0.32 0.54 -0.25 0.00 0.00 175.29 175.77 2hgu n ARG 14 N -0.78 0.00 -3.69 2.91 5.12 -1.26 -4.97 116.66 113.99 2hgu n ARG 14 Ca -0.03 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.78 2hgu n ARG 14 Cb 0.67 -0.81 -0.11 0.00 -1.16 0.00 0.00 32.46 31.04 2hgu n ARG 14 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2hgu s GLY 15 N -0.27 -0.32 0.00 -0.13 0.00 -1.26 -4.88 107.32 100.47 2hgu s GLY 15 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.21 2hgu s GLY 15 CO 0.00 1.72 0.00 0.54 0.00 0.00 0.00 173.10 175.36 2hgu n ARG 16 N 4.37 0.58 0.00 2.90 5.12 -1.26 -5.07 116.66 123.30 2hgu n ARG 16 Ca -0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 2hgu n ARG 16 Cb 0.55 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.85 2hgu n ARG 16 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2hgu n LEU 17 N 0.00 0.00 -4.40 0.55 4.32 -1.26 -5.09 117.00 111.11 2hgu n LEU 17 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.67 2hgu n LEU 17 Cb 0.00 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.66 2hgu n LEU 17 CO 0.00 0.00 -0.48 -0.54 -1.22 0.00 0.00 177.39 175.15 2hgu s LYS 18 N 3.51 2.69 0.00 3.23 -0.14 -1.26 -5.05 119.74 122.71 2hgu s LYS 18 Ca 0.00 -0.75 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 2hgu s LYS 18 Cb 0.00 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.78 2hgu s LYS 18 CO 0.00 0.48 0.00 0.41 -0.76 0.00 0.00 175.35 175.48 2hgu n GLY 19 N 2.72 -2.22 1.68 -3.33 0.00 -1.26 -5.20 105.19 97.58 2hgu n GLY 19 Ca -0.17 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2hgu n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgu n ALA 20 N -1.01 -1.57 0.00 4.61 0.00 -1.26 -5.13 120.51 116.14 2hgu n ALA 20 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2hgu n ALA 20 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2hgu n ALA 20 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2hgu n THR 21 N 0.20 0.00 -2.28 0.00 5.66 -1.26 -5.16 114.28 111.45 2hgu n THR 21 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2hgu n THR 21 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2hgu n THR 21 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2hgu n LYS 22 N -0.34 -2.14 0.00 1.09 3.00 -1.26 -4.77 118.16 113.74 2hgu n LYS 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hgu n LYS 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2hgu n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgu n GLY 23 N -0.15 -0.17 0.00 3.14 0.00 -1.26 -4.70 105.19 102.04 2hgu n GLY 23 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2hgu n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgu n GLY 24 N 0.00 0.00 2.91 -0.02 0.00 -1.26 -5.11 105.19 101.71 2hgu n GLY 24 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2hgu n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hgu s ASP 25 N 0.00 1.09 0.00 1.61 1.01 -1.26 -5.02 116.67 114.09 2hgu s ASP 25 Ca 0.00 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.10 2hgu s ASP 25 Cb 0.00 -0.51 0.00 0.00 1.01 0.00 0.00 42.92 43.42 2hgu s ASP 25 CO 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 175.17 175.34 2hgu n TYR 26 N 4.01 0.00 0.00 4.23 0.18 -1.26 -1.86 117.16 122.46 2hgu n TYR 26 Ca -0.24 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.54 2hgu n TYR 26 Cb 0.51 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 2hgu n TYR 26 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 2hgu n VAL 27 N 0.00 0.00 -2.43 -3.48 3.14 -1.26 -4.93 118.33 109.36 2hgu n VAL 27 Ca 0.00 0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 2hgu n VAL 27 Cb 0.00 -1.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.78 2hgu n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hgu n ALA 28 N -3.00 0.00 -0.81 1.55 0.00 -1.26 -4.78 120.51 112.21 2hgu n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgu n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgu n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2hgu n PHE 29 N 5.34 0.00 -0.07 0.00 0.99 -1.26 -4.99 117.46 117.47 2hgu n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2hgu n PHE 29 Cb 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 2hgu n PHE 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2hgu n GLY 30 N 0.00 0.07 1.13 1.37 0.00 -1.26 -4.92 105.19 101.58 2hgu n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgu n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hgu n ASP 31 N 0.00 -1.70 -4.00 1.61 10.43 -1.26 -4.95 116.55 116.69 2hgu n ASP 31 Ca 0.00 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.96 2hgu n ASP 31 Cb 0.00 -0.28 -0.01 0.00 1.84 0.00 0.00 41.12 42.66 2hgu n ASP 31 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2hgu n TYR 32 N -2.57 3.22 -2.71 1.24 4.02 -1.26 -4.55 117.16 114.55 2hgu n TYR 32 Ca 0.00 -3.21 -0.43 0.00 -0.01 0.00 0.00 57.90 54.25 2hgu n TYR 32 Cb 0.00 -1.23 -0.03 0.00 -0.02 0.00 0.00 39.34 38.06 2hgu n TYR 32 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2hgu s GLY 33 N -1.14 1.40 -0.36 2.72 0.00 -0.27 -1.20 107.32 108.48 2hgu s GLY 33 Ca 0.32 -0.58 -0.02 0.00 0.00 0.00 0.00 44.72 44.44 2hgu s GLY 33 CO 0.03 2.22 0.11 1.08 0.00 0.00 0.00 173.10 176.54 2hgu s LEU 34 N 4.04 4.64 -0.07 0.66 1.43 0.13 -0.44 118.68 129.07 2hgu s LEU 34 Ca 0.43 -1.71 0.03 0.00 -1.03 0.00 0.00 54.13 51.84 2hgu s LEU 34 Cb -0.09 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2hgu s LEU 34 CO 0.28 -0.41 -0.15 0.54 0.23 0.00 0.00 176.35 176.83 2hgu s VAL 35 N 1.17 1.38 1.38 -1.59 0.11 -0.12 -0.81 120.40 121.93 2hgu s VAL 35 Ca 0.03 -0.62 -0.22 0.00 -2.93 0.00 0.00 61.98 58.23 2hgu s VAL 35 Cb -0.21 -1.23 0.35 0.00 -1.53 0.00 0.00 36.38 33.76 2hgu s VAL 35 CO -0.03 0.41 0.96 0.00 -3.33 0.00 0.00 175.10 173.11 2hgu s ALA 36 N 0.57 -0.51 0.00 1.54 0.00 -0.50 -1.36 121.76 121.50 2hgu s ALA 36 Ca -0.16 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2hgu s ALA 36 Cb -0.16 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2hgu s ALA 36 CO 0.05 -4.43 0.00 1.28 0.00 0.00 0.00 175.76 172.66 2hgu n LEU 37 N -5.49 0.00 -2.74 0.00 4.77 -1.25 -3.55 117.00 108.74 2hgu n LEU 37 Ca 0.13 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.79 2hgu n LEU 37 Cb 0.60 0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 2hgu n LEU 37 CO 0.43 -0.15 0.61 -0.62 -1.33 0.00 0.00 177.39 176.33 2hgu n GLU 38 N -1.44 3.38 0.00 3.23 4.71 -0.51 -0.97 120.64 129.03 2hgu n GLU 38 Ca 0.00 -4.33 0.00 0.00 -0.01 0.00 0.00 57.16 52.82 2hgu n GLU 38 Cb 0.00 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.16 2hgu n GLU 38 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2hgu n PRO 39 N -0.43 0.00 0.00 3.49 -0.02 -1.17 -4.74 135.00 132.13 2hgu n PRO 39 Ca 0.42 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2hgu n PRO 39 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 2hgu n PRO 39 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgu n ALA 40 N -3.00 0.00 -0.96 3.55 0.00 -0.08 -4.81 120.51 115.22 2hgu n ALA 40 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2hgu n ALA 40 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 2hgu n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2hgu s TRP 41 N 0.00 0.81 -0.30 0.00 0.51 -1.26 -0.96 118.94 117.74 2hgu s TRP 41 Ca 0.00 0.68 -0.05 0.00 -2.12 0.00 0.00 56.10 54.61 2hgu s TRP 41 Cb 0.00 -3.30 0.19 0.00 -0.81 0.00 0.00 33.47 29.55 2hgu s TRP 41 CO 0.00 -3.81 0.80 -1.50 -0.51 0.00 0.00 176.95 171.93 2hgu s ILE 42 N -2.85 -0.69 -0.17 2.03 -1.16 0.06 -4.72 121.20 113.71 2hgu s ILE 42 Ca 0.69 0.00 -0.41 0.00 -0.51 0.00 0.00 60.65 60.42 2hgu s ILE 42 Cb -0.14 -0.92 -0.18 0.00 0.61 0.00 0.00 42.46 41.83 2hgu s ILE 42 CO 0.57 0.00 1.47 1.07 -2.81 0.00 0.00 174.94 175.25 2hgu n THR 43 N 5.41 0.10 0.11 4.00 5.66 -1.26 -1.16 114.28 127.14 2hgu n THR 43 Ca -0.01 -0.02 -0.17 0.00 -3.05 0.00 0.00 64.05 60.81 2hgu n THR 43 Cb 0.53 -0.72 -0.10 0.00 -1.55 0.00 0.00 70.33 68.49 2hgu n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hgu h ALA 44 N 5.19 -1.01 -0.59 1.79 0.00 -1.40 0.43 119.26 123.68 2hgu h ALA 44 Ca -0.47 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.38 2hgu h ALA 44 Cb 1.36 0.91 -0.07 0.00 0.00 0.00 0.00 17.79 19.98 2hgu h ALA 44 CO 0.85 -1.14 -0.35 1.04 0.00 0.00 0.00 179.25 179.66 2hgu n GLN 45 N -5.48 -0.26 -0.31 0.00 3.00 -1.26 0.16 117.38 113.22 2hgu n GLN 45 Ca -0.09 1.12 -0.04 0.00 -0.01 0.00 0.00 57.00 57.98 2hgu n GLN 45 Cb 0.41 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.00 2hgu n GLN 45 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2hgu h GLN 46 N 0.00 -0.08 -0.49 -1.09 4.15 -1.65 0.31 115.11 116.26 2hgu h GLN 46 Ca 0.09 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.56 2hgu h GLN 46 Cb 0.24 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 2hgu h GLN 46 CO -0.56 -0.05 -0.29 -0.89 -1.93 0.00 0.00 178.83 175.11 2hgu n ILE 47 N -5.43 -0.33 -0.19 2.39 5.41 0.41 0.20 119.36 121.82 2hgu n ILE 47 Ca 0.06 1.90 -0.06 0.00 1.00 0.00 0.00 62.75 65.65 2hgu n ILE 47 Cb 0.37 -2.41 -0.00 0.00 -0.71 0.00 0.00 39.64 36.88 2hgu n ILE 47 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2hgu h GLU 48 N 0.00 -0.18 -0.49 0.38 4.39 0.11 0.35 114.58 119.14 2hgu h GLU 48 Ca 0.08 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.84 2hgu h GLU 48 Cb 0.20 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 2hgu h GLU 48 CO -0.46 -0.12 -0.29 0.00 -1.16 0.00 0.00 179.01 176.98 2hgu n ALA 49 N -3.12 -0.32 -0.28 3.43 0.00 0.54 0.39 120.51 121.15 2hgu n ALA 49 Ca 0.03 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 53.88 2hgu n ALA 49 Cb 0.35 -0.03 0.11 0.00 0.00 0.00 0.00 19.45 19.88 2hgu n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgu h ALA 50 N 0.17 1.05 -0.37 0.00 0.00 0.88 -0.47 119.26 120.52 2hgu h ALA 50 Ca 0.08 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2hgu h ALA 50 Cb 0.20 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 2hgu h ALA 50 CO -0.46 0.25 -0.38 0.07 0.00 0.00 0.00 179.25 178.73 2hgu h ARG 51 N 0.92 -0.30 0.92 0.00 0.11 0.92 -0.54 114.38 116.40 2hgu h ARG 51 Ca 0.33 0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.38 2hgu h ARG 51 Cb 0.09 0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.25 2hgu h ARG 51 CO -0.14 -0.20 -0.44 0.28 0.10 0.00 0.00 179.97 179.57 2hgu h VAL 52 N -0.31 0.05 -0.66 0.08 2.07 -0.49 -0.51 116.25 116.48 2hgu h VAL 52 Ca 0.15 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.67 2hgu h VAL 52 Cb 0.57 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 2hgu h VAL 52 CO -0.54 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 176.68 2hgu n ALA 53 N -2.66 -0.38 0.17 1.67 0.00 -0.21 0.83 120.51 119.93 2hgu n ALA 53 Ca -0.16 0.57 -0.09 0.00 0.00 0.00 0.00 53.44 53.77 2hgu n ALA 53 Cb 0.49 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 2hgu n ALA 53 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2hgu h MET 54 N 0.00 -0.51 -0.71 0.00 2.86 -0.93 -0.86 114.93 114.78 2hgu h MET 54 Ca 0.12 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.99 2hgu h MET 54 Cb 0.29 0.12 -0.13 0.00 0.06 0.00 0.00 31.60 31.93 2hgu h MET 54 CO -0.62 -0.34 -0.00 0.28 1.06 0.00 0.00 176.91 177.28 2hgu n VAL 55 N -3.83 -0.30 0.04 -2.22 0.31 0.24 0.72 118.33 113.30 2hgu n VAL 55 Ca -0.06 1.57 -0.15 0.00 -0.01 0.00 0.00 64.34 65.68 2hgu n VAL 55 Cb 0.23 -2.28 -0.14 0.00 -0.91 0.00 0.00 33.84 30.74 2hgu n VAL 55 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2hgu h ARG 56 N 0.00 0.20 -0.95 5.55 -0.00 -0.97 -3.32 114.38 114.89 2hgu h ARG 56 Ca 0.42 -0.33 0.11 0.00 -0.00 0.00 0.00 59.98 60.18 2hgu h ARG 56 Cb 0.86 0.12 -0.08 0.00 -0.00 0.00 0.00 29.97 30.87 2hgu h ARG 56 CO -0.67 1.02 0.58 1.25 -0.00 0.00 0.00 179.97 182.14 2hgu h HIS 57 N 0.05 1.05 0.00 4.08 2.76 0.18 -3.18 115.15 120.09 2hgu h HIS 57 Ca -0.26 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.93 2hgu h HIS 57 Cb 2.00 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 30.64 2hgu h HIS 57 CO 0.05 0.42 1.02 1.19 -1.30 0.00 0.00 177.93 179.30 2hgu n PHE 58 N -4.66 0.04 -0.75 5.26 3.72 -0.18 -4.48 117.46 116.41 2hgu n PHE 58 Ca 0.17 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 2hgu n PHE 58 Cb 0.33 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 2hgu n PHE 58 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2hgu n ARG 59 N 4.87 -0.99 -2.89 -1.08 -4.01 -1.20 -2.01 116.66 109.34 2hgu n ARG 59 Ca 0.01 0.00 -0.07 0.00 -1.04 0.00 0.00 57.85 56.75 2hgu n ARG 59 Cb 0.00 -1.44 0.01 0.00 -3.04 0.00 0.00 32.46 28.00 2hgu n ARG 59 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2hgu n ARG 60 N -0.59 -2.61 0.00 2.89 3.00 -1.23 -4.94 116.66 113.18 2hgu n ARG 60 Ca 0.00 2.21 0.00 0.00 -0.01 0.00 0.00 57.85 60.05 2hgu n ARG 60 Cb 0.08 -4.82 0.00 0.00 0.00 0.00 0.00 32.46 27.72 2hgu n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgu n GLY 61 N 0.24 -1.60 2.63 -0.13 0.00 -0.85 -5.08 105.19 100.40 2hgu n GLY 61 Ca 0.04 0.60 -0.08 0.00 0.00 0.00 0.00 46.02 46.58 2hgu n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgu n GLY 62 N 0.00 -0.18 3.59 -0.02 0.00 -1.26 -4.73 105.19 102.59 2hgu n GLY 62 Ca 0.00 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2hgu n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgu n LYS 63 N 4.04 1.98 -0.49 1.61 4.76 -1.26 -3.69 118.16 125.11 2hgu n LYS 63 Ca 0.25 0.58 -0.10 0.00 -2.87 0.00 0.00 58.31 56.18 2hgu n LYS 63 Cb 0.28 -3.09 0.09 0.00 -1.84 0.00 0.00 35.03 30.47 2hgu n LYS 63 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2hgu n ILE 64 N 7.27 0.00 0.00 -0.18 -5.35 0.29 -4.51 119.36 116.88 2hgu n ILE 64 Ca 0.30 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.78 2hgu n ILE 64 Cb 0.41 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 2hgu n ILE 64 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2hgu n PHE 65 N -3.81 0.00 0.00 4.28 0.99 -1.25 -4.37 117.46 113.30 2hgu n PHE 65 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 2hgu n PHE 65 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.67 2hgu n PHE 65 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2hgu n ILE 66 N 0.00 0.00 0.00 4.37 -0.00 -0.30 -4.93 119.36 118.49 2hgu n ILE 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2hgu n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2hgu n ILE 66 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 2hgu n ARG 67 N 0.00 0.00 0.00 0.38 1.85 -1.26 -1.27 116.66 116.35 2hgu n ARG 67 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2hgu n ARG 67 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2hgu n ARG 67 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 2hgu n ILE 68 N 0.00 0.00 -4.08 8.89 0.13 -1.26 -5.01 119.36 118.02 2hgu n ILE 68 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.55 2hgu n ILE 68 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 39.64 38.73 2hgu n ILE 68 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 2hgu s PHE 69 N -0.73 0.70 -2.00 9.51 2.19 -1.26 -4.99 117.98 121.40 2hgu s PHE 69 Ca 0.00 -1.00 0.13 0.00 0.33 0.00 0.00 56.93 56.39 2hgu s PHE 69 Cb 0.00 -0.12 0.75 0.00 -1.31 0.00 0.00 43.02 42.34 2hgu s PHE 69 CO 0.00 -0.85 1.18 -2.30 1.83 0.00 0.00 175.22 175.08 2hgu n PRO 70 N -0.34 0.51 0.00 10.12 -0.02 -1.25 -2.49 135.00 141.53 2hgu n PRO 70 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hgu n PRO 70 Cb 0.64 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 2hgu n PRO 70 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2hgu n ASP 71 N -0.88 0.00 -4.98 2.55 9.92 -1.16 0.44 116.55 122.43 2hgu n ASP 71 Ca 0.09 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.16 2hgu n ASP 71 Cb 0.04 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.54 2hgu n ASP 71 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2hgu s LYS 72 N 0.00 2.60 -0.33 -1.24 1.02 -0.04 -4.87 119.74 116.88 2hgu s LYS 72 Ca 0.00 -1.45 -0.08 0.00 0.02 0.00 0.00 55.97 54.46 2hgu s LYS 72 Cb 0.00 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.72 2hgu s LYS 72 CO 0.00 -0.43 0.12 -1.25 -0.92 0.00 0.00 175.35 172.87 2hgu s PRO 73 N -4.38 2.89 -0.12 -1.68 0.04 -1.26 -1.59 135.00 128.90 2hgu s PRO 73 Ca 0.54 -1.00 -0.10 0.00 0.04 0.00 0.00 61.00 60.48 2hgu s PRO 73 Cb -0.07 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 30.93 2hgu s PRO 73 CO 0.33 -0.57 0.20 0.71 0.04 0.00 0.00 177.00 177.70 2hgu s TYR 74 N 1.49 3.57 -0.06 0.56 4.12 0.03 -4.24 117.35 122.81 2hgu s TYR 74 Ca 0.01 0.57 0.01 0.00 0.02 0.00 0.00 57.07 57.68 2hgu s TYR 74 Cb -0.18 -2.08 0.02 0.00 -1.52 0.00 0.00 41.96 38.19 2hgu s TYR 74 CO 0.04 0.58 -0.08 0.99 0.02 0.00 0.00 175.55 177.10 2hgu s THR 75 N -0.59 0.83 -2.41 -0.71 2.01 -1.26 -1.37 115.64 112.14 2hgu s THR 75 Ca 0.15 -0.29 0.20 0.00 0.31 0.00 0.00 61.69 62.07 2hgu s THR 75 Cb -0.13 -0.81 0.13 0.00 0.01 0.00 0.00 72.50 71.71 2hgu s THR 75 CO 0.04 0.29 1.12 2.29 -0.69 0.00 0.00 174.62 177.67 2hgu n LYS 76 N 4.04 1.77 0.00 4.92 -0.00 -1.26 -4.99 118.16 122.63 2hgu n LYS 76 Ca -0.23 -1.57 0.00 0.00 -0.00 0.00 0.00 58.31 56.51 2hgu n LYS 76 Cb 0.51 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 34.15 2hgu n LYS 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2hgu n LYS 77 N 0.93 0.00 0.00 -1.58 4.01 -1.25 -4.58 118.16 115.69 2hgu n LYS 77 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2hgu n LYS 77 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 2hgu n LYS 77 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2hgu n PRO 78 N 0.00 0.05 0.00 1.97 -0.02 -1.26 -4.79 135.00 130.94 2hgu n PRO 78 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hgu n PRO 78 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2hgu n PRO 78 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2hgu n LEU 79 N 0.00 0.00 0.00 2.45 -0.00 -1.26 -4.89 117.00 113.30 2hgu n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2hgu n LEU 79 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2hgu n LEU 79 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 177.39 175.55 2hgu n GLU 80 N 0.00 0.00 0.00 1.47 -0.00 -1.26 -5.14 120.64 115.71 2hgu n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2hgu n GLU 80 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 2hgu n GLU 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2hgu n VAL 81 N 0.00 0.00 -4.11 3.84 0.31 -1.26 -5.03 118.33 112.08 2hgu n VAL 81 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 2hgu n VAL 81 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2hgu n VAL 81 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2hgu s ARG 82 N 0.00 1.91 0.02 5.55 3.52 -1.26 -5.17 118.95 123.52 2hgu s ARG 82 Ca 0.00 -1.79 0.03 0.00 -0.13 0.00 0.00 55.73 53.84 2hgu s ARG 82 Cb 0.00 0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 33.81 2hgu s ARG 82 CO 0.00 -0.79 -0.10 0.00 -0.81 0.00 0.00 175.30 173.61 2hgu s MET 83 N -3.06 0.71 0.00 5.12 0.23 -1.26 -4.84 119.30 116.20 2hgu s MET 83 Ca 0.32 -0.51 0.00 0.00 -1.03 0.00 0.00 55.69 54.47 2hgu s MET 83 Cb -0.00 -0.66 0.00 0.00 -1.53 0.00 0.00 34.83 32.64 2hgu s MET 83 CO 0.21 0.17 0.00 0.41 -2.03 0.00 0.00 175.02 173.78 2hgu n GLY 84 N 2.34 -0.69 3.60 3.16 0.00 -1.26 -5.15 105.19 107.20 2hgu n GLY 84 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 2hgu n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hgu n LYS 85 N 0.00 -1.84 -0.06 1.61 3.00 -1.26 -4.81 118.16 114.80 2hgu n LYS 85 Ca 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 58.31 56.43 2hgu n LYS 85 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 33.63 2hgu n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgu n GLY 86 N -3.73 1.07 1.54 3.14 0.00 -1.26 -4.73 105.19 101.22 2hgu n GLY 86 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 2hgu n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hgu n LYS 87 N 1.04 -1.50 -0.10 1.61 4.81 -1.26 -4.88 118.16 117.87 2hgu n LYS 87 Ca 0.00 0.17 -0.06 0.00 -0.87 0.00 0.00 58.31 57.54 2hgu n LYS 87 Cb 0.23 -4.34 0.06 0.00 0.02 0.00 0.00 35.03 31.01 2hgu n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hgu n GLY 88 N -0.18 -2.83 0.58 3.14 0.00 -1.26 -4.67 105.19 99.97 2hgu n GLY 88 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2hgu n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hgu n ASN 89 N -2.62 -1.95 -3.36 1.61 3.02 -1.26 -3.92 115.26 106.77 2hgu n ASN 89 Ca 0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.25 2hgu n ASN 89 Cb 0.13 -0.98 -0.02 0.00 -0.61 0.00 0.00 39.78 38.30 2hgu n ASN 89 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2hgu n VAL 90 N 0.07 4.17 -0.19 2.41 0.24 -1.26 -4.48 118.33 119.30 2hgu n VAL 90 Ca 0.00 -5.70 -0.04 0.00 -2.04 0.00 0.00 64.34 56.56 2hgu n VAL 90 Cb 0.00 -1.64 0.06 0.00 -1.47 0.00 0.00 33.84 30.79 2hgu n VAL 90 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2hgu h GLU 91 N 3.84 0.60 -6.36 7.34 9.09 -1.85 -3.46 114.58 123.78 2hgu h GLU 91 Ca 0.27 -0.04 -0.62 0.00 0.05 0.00 0.00 59.36 59.03 2hgu h GLU 91 Cb 0.48 -0.14 -0.15 0.00 -1.65 0.00 0.00 28.75 27.30 2hgu h GLU 91 CO 1.00 0.40 -0.76 0.20 0.05 0.00 0.00 179.01 179.90 2hgu s GLY 92 N -2.84 1.78 -0.07 1.06 0.00 -0.47 -4.96 107.32 101.82 2hgu s GLY 92 Ca -0.13 -1.72 -0.01 0.00 0.00 0.00 0.00 44.72 42.86 2hgu s GLY 92 CO 0.74 -1.78 -0.02 -0.19 0.00 0.00 0.00 173.10 171.85 2hgu s TYR 93 N -2.13 0.77 0.33 1.90 1.51 -1.26 -0.79 117.35 117.68 2hgu s TYR 93 Ca 0.27 -0.24 -0.18 0.00 -1.01 0.00 0.00 57.07 55.91 2hgu s TYR 93 Cb -0.07 -0.81 0.06 0.00 -0.11 0.00 0.00 41.96 41.03 2hgu s TYR 93 CO 0.14 -0.31 0.85 0.14 -1.11 0.00 0.00 175.55 175.26 2hgu s VAL 94 N 1.66 0.00 0.54 0.71 -7.23 0.17 -0.97 120.40 115.29 2hgu s VAL 94 Ca 0.01 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 2hgu s VAL 94 Cb -0.13 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.03 2hgu s VAL 94 CO -0.04 0.00 0.81 0.00 -0.31 0.00 0.00 175.10 175.55 2hgu s ALA 95 N -2.42 3.55 -0.42 1.32 0.00 -0.31 -0.86 121.76 122.62 2hgu s ALA 95 Ca 0.16 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2hgu s ALA 95 Cb -0.04 -2.35 0.13 0.00 0.00 0.00 0.00 23.12 20.85 2hgu s ALA 95 CO 0.09 -0.68 0.20 0.08 0.00 0.00 0.00 175.76 175.46 2hgu s VAL 96 N -2.82 1.53 -0.09 0.00 1.01 -1.26 -0.76 120.40 118.02 2hgu s VAL 96 Ca 0.53 -2.44 0.03 0.00 0.00 0.00 0.00 61.98 60.10 2hgu s VAL 96 Cb -0.10 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2hgu s VAL 96 CO 0.41 -0.82 -0.19 0.68 0.00 0.00 0.00 175.10 175.18 2hgu s VAL 97 N 0.53 1.69 0.00 2.92 -7.23 -0.13 -4.96 120.40 113.22 2hgu s VAL 97 Ca 0.16 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2hgu s VAL 97 Cb -0.23 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.21 2hgu s VAL 97 CO -0.04 0.48 0.00 0.29 -0.31 0.00 0.00 175.10 175.51 2hgu n LYS 98 N 3.77 0.00 -3.33 4.82 4.01 -1.26 -0.90 118.16 125.27 2hgu n LYS 98 Ca -0.20 0.00 -0.47 0.00 -0.51 0.00 0.00 58.31 57.13 2hgu n LYS 98 Cb 0.52 -0.79 -0.02 0.00 -0.51 0.00 0.00 35.03 34.22 2hgu n LYS 98 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2hgu s PRO 99 N -1.65 3.54 0.00 1.97 0.04 -1.26 -3.05 135.00 134.58 2hgu s PRO 99 Ca 0.00 -2.38 0.00 0.00 0.04 0.00 0.00 61.00 58.66 2hgu s PRO 99 Cb 0.00 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2hgu s PRO 99 CO 0.00 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.16 2hgu n GLY 100 N 4.11 0.00 3.88 0.56 0.00 -0.14 -4.69 105.19 108.91 2hgu n GLY 100 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 2hgu n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgu s ARG 101 N 0.00 3.16 -0.79 1.61 1.81 -1.24 -4.67 118.95 118.83 2hgu s ARG 101 Ca 0.00 -0.85 -0.25 0.00 -1.72 0.00 0.00 55.73 52.90 2hgu s ARG 101 Cb 0.00 -2.74 -0.02 0.00 -0.45 0.00 0.00 34.95 31.74 2hgu s ARG 101 CO 0.00 0.45 1.82 0.54 -0.68 0.00 0.00 175.30 177.42 2hgu s VAL 102 N -1.94 3.48 -0.44 3.52 0.11 -0.78 -1.41 120.40 122.94 2hgu s VAL 102 Ca 0.33 -0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 59.20 2hgu s VAL 102 Cb -0.09 -4.15 0.11 0.00 -1.53 0.00 0.00 36.38 30.72 2hgu s VAL 102 CO 0.26 -1.10 0.27 -0.04 -3.33 0.00 0.00 175.10 171.17 2hgu s MET 103 N 6.74 2.30 -0.12 1.54 -1.94 0.01 -4.41 119.30 123.42 2hgu s MET 103 Ca 0.64 -1.75 0.03 0.00 -1.71 0.00 0.00 55.69 52.90 2hgu s MET 103 Cb -0.08 -3.76 0.01 0.00 2.01 0.00 0.00 34.83 33.00 2hgu s MET 103 CO 0.08 -1.11 -0.21 -0.59 -0.01 0.00 0.00 175.02 173.18 2hgu s PHE 104 N 1.28 2.48 -0.16 -0.03 -0.12 -0.40 -0.70 117.98 120.34 2hgu s PHE 104 Ca 0.06 -1.15 -0.09 0.00 -0.05 0.00 0.00 56.93 55.70 2hgu s PHE 104 Cb -0.24 -1.69 0.06 0.00 -0.63 0.00 0.00 43.02 40.51 2hgu s PHE 104 CO -0.02 -0.51 0.39 -1.21 -0.05 0.00 0.00 175.22 173.82 2hgu s GLU 105 N 0.66 0.37 0.12 1.99 8.01 -0.34 -1.15 118.70 128.37 2hgu s GLU 105 Ca -0.12 0.73 -0.12 0.00 0.01 0.00 0.00 54.97 55.48 2hgu s GLU 105 Cb -0.16 -0.02 -0.06 0.00 -4.31 0.00 0.00 34.13 29.58 2hgu s GLU 105 CO 0.02 -0.15 0.49 0.54 0.01 0.00 0.00 175.26 176.17 2hgu s VAL 106 N 1.28 4.96 0.00 2.63 0.11 -1.26 -4.45 120.40 123.66 2hgu s VAL 106 Ca -0.09 0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 2hgu s VAL 106 Cb -0.08 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 2hgu s VAL 106 CO -0.11 0.24 0.00 0.00 -3.33 0.00 0.00 175.10 171.90 2hgu n ALA 107 N 0.79 0.28 0.00 1.54 0.00 -1.24 0.10 120.51 121.98 2hgu n ALA 107 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2hgu n ALA 107 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2hgu n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 108 N 0.00 0.00 0.15 0.00 0.00 -1.26 -4.84 105.19 99.24 2hgu n GLY 108 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2hgu n GLY 108 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hgu h VAL 109 N 0.00 0.86 -4.38 1.61 2.07 -1.97 -3.49 116.25 110.95 2hgu h VAL 109 Ca 0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2hgu h VAL 109 Cb 0.00 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2hgu h VAL 109 CO 0.00 0.14 -0.70 0.41 0.02 0.00 0.00 177.57 177.45 2hgu n THR 110 N -5.07 -8.69 0.00 2.57 -1.04 -1.26 -4.80 114.28 95.99 2hgu n THR 110 Ca -0.09 1.29 0.00 0.00 -2.04 0.00 0.00 64.05 63.20 2hgu n THR 110 Cb 0.24 -5.88 0.00 0.00 -1.82 0.00 0.00 70.33 62.87 2hgu n THR 110 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2hgu n GLU 111 N 0.53 0.00 0.00 -2.82 -0.58 -1.26 -4.52 120.64 111.99 2hgu n GLU 111 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2hgu n GLU 111 Cb 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 2hgu n GLU 111 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2hgu n GLU 112 N 0.00 0.00 0.11 3.49 4.71 -1.26 -1.00 120.64 126.69 2hgu n GLU 112 Ca 0.00 0.16 -0.23 0.00 -0.01 0.00 0.00 57.16 57.08 2hgu n GLU 112 Cb 0.00 -1.54 -0.15 0.00 -1.01 0.00 0.00 31.44 28.73 2hgu n GLU 112 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 2hgu h GLN 113 N 0.00 0.46 -0.57 3.49 7.50 -1.88 0.21 115.11 124.32 2hgu h GLN 113 Ca 0.00 -0.78 -0.02 0.00 0.50 0.00 0.00 58.65 58.35 2hgu h GLN 113 Cb 0.08 0.29 -0.03 0.00 0.05 0.00 0.00 27.48 27.88 2hgu h GLN 113 CO 0.00 1.37 0.28 0.00 -1.50 0.00 0.00 178.83 178.98 2hgu h ALA 114 N 0.12 0.74 -0.85 3.87 0.00 -1.38 -0.44 119.26 121.32 2hgu h ALA 114 Ca -0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2hgu h ALA 114 Cb 2.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2hgu h ALA 114 CO 0.23 0.30 0.00 -1.33 0.00 0.00 0.00 179.25 178.45 2hgu n MET 115 N -4.55 0.00 -0.01 0.00 2.81 -0.43 -1.23 117.12 113.72 2hgu n MET 115 Ca 0.03 0.72 -0.00 0.00 -1.81 0.00 0.00 57.70 56.64 2hgu n MET 115 Cb 0.12 -1.36 -0.00 0.00 -0.71 0.00 0.00 33.22 31.27 2hgu n MET 115 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2hgu n GLU 116 N -2.19 -0.01 -0.23 0.03 -0.58 0.73 -0.46 120.64 117.93 2hgu n GLU 116 Ca 0.00 0.82 -0.06 0.00 -0.42 0.00 0.00 57.16 57.50 2hgu n GLU 116 Cb 0.00 -1.23 -0.05 0.00 -0.57 0.00 0.00 31.44 29.58 2hgu n GLU 116 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hgu n ALA 117 N -2.83 -0.35 0.02 0.62 0.00 -0.20 0.08 120.51 117.86 2hgu n ALA 117 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 2hgu n ALA 117 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.39 2hgu n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hgu h LEU 118 N 0.00 -0.04 -0.11 0.00 3.38 0.52 -0.64 115.31 118.42 2hgu h LEU 118 Ca 0.09 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2hgu h LEU 118 Cb 0.22 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2hgu h LEU 118 CO -0.51 -0.03 -0.03 -1.14 0.09 0.00 0.00 178.44 176.81 2hgu n ARG 119 N -2.13 -0.02 0.00 1.13 0.63 0.11 0.20 116.66 116.59 2hgu n ARG 119 Ca -0.01 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 2hgu n ARG 119 Cb 0.02 -0.24 0.00 0.00 0.45 0.00 0.00 32.46 32.68 2hgu n ARG 119 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2hgu n ILE 120 N -4.16 0.00 -0.20 5.15 5.41 0.23 -0.74 119.36 125.04 2hgu n ILE 120 Ca 0.01 0.92 0.12 0.00 1.00 0.00 0.00 62.75 64.80 2hgu n ILE 120 Cb 0.05 -1.77 0.23 0.00 -0.71 0.00 0.00 39.64 37.44 2hgu n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hgu n ALA 121 N -1.40 0.39 0.10 -1.39 0.00 0.54 0.53 120.51 119.29 2hgu n ALA 121 Ca 0.00 0.64 -0.10 0.00 0.00 0.00 0.00 53.44 53.98 2hgu n ALA 121 Cb 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 2hgu n ALA 121 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2hgu h GLY 122 N 0.00 -0.34 -0.75 0.00 0.00 -0.91 -0.71 103.07 100.36 2hgu h GLY 122 Ca 0.41 0.13 0.14 0.00 0.00 0.00 0.00 47.33 48.00 2hgu h GLY 122 CO -0.54 -0.12 -0.23 1.57 0.00 0.00 0.00 176.54 177.22 2hgu n HIS 123 N -5.00 0.17 -0.04 5.60 -0.00 0.19 0.15 115.22 116.29 2hgu n HIS 123 Ca -0.07 0.92 -0.11 0.00 -0.00 0.00 0.00 57.72 58.45 2hgu n HIS 123 Cb 0.25 -0.87 -0.07 0.00 -0.00 0.00 0.00 29.99 29.29 2hgu n HIS 123 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2hgu h LYS 124 N 0.00 -0.38 0.00 1.57 3.11 -0.73 -3.44 116.57 116.69 2hgu h LYS 124 Ca 0.32 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.18 2hgu h LYS 124 Cb 0.51 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 2hgu h LYS 124 CO -0.76 -0.26 0.00 1.28 -2.81 0.00 0.00 179.45 176.90 2hgu n LEU 125 N -4.71 0.00 -0.94 5.20 4.77 0.40 -4.87 117.00 116.84 2hgu n LEU 125 Ca -0.04 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.03 2hgu n LEU 125 Cb 0.28 -0.21 0.25 0.00 -2.33 0.00 0.00 43.42 41.40 2hgu n LEU 125 CO 0.05 -1.40 0.71 -0.81 -1.33 0.00 0.00 177.39 174.60 2hgu n PRO 126 N 1.29 2.19 -3.80 3.23 -0.04 -1.26 -5.01 135.00 131.59 2hgu n PRO 126 Ca 0.00 -1.85 -0.07 0.00 -0.04 0.00 0.00 63.50 61.55 2hgu n PRO 126 Cb 0.00 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.02 2hgu n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2hgu s ILE 127 N -1.37 0.00 -0.16 0.52 -5.25 -1.26 -5.05 121.20 108.63 2hgu s ILE 127 Ca 0.35 -0.85 -0.33 0.00 -0.99 0.00 0.00 60.65 58.84 2hgu s ILE 127 Cb 0.19 -1.92 -0.10 0.00 2.95 0.00 0.00 42.46 43.57 2hgu s ILE 127 CO 0.25 0.00 2.02 0.29 -1.79 0.00 0.00 174.94 175.71 2hgu n LYS 128 N -0.45 1.99 -3.99 0.37 5.02 -1.26 -4.86 118.16 114.97 2hgu n LYS 128 Ca -0.05 0.67 -0.11 0.00 -2.02 0.00 0.00 58.31 56.80 2hgu n LYS 128 Cb 0.60 -2.76 -0.03 0.00 -0.02 0.00 0.00 35.03 32.81 2hgu n LYS 128 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2hgu s THR 129 N 5.59 0.00 0.31 -0.18 -4.23 -1.26 -1.43 115.64 114.44 2hgu s THR 129 Ca 0.97 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 2hgu s THR 129 Cb -0.63 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 2hgu s THR 129 CO 0.47 0.00 0.35 1.17 -0.54 0.00 0.00 174.62 176.07 2hgu n LYS 130 N -0.48 0.50 -3.86 3.99 4.81 -0.46 -4.92 118.16 117.74 2hgu n LYS 130 Ca -0.02 -2.84 -0.09 0.00 -0.87 0.00 0.00 58.31 54.49 2hgu n LYS 130 Cb 0.61 2.50 -0.06 0.00 0.02 0.00 0.00 35.03 38.10 2hgu n LYS 130 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2hgu s ILE 131 N -3.03 0.09 0.00 3.15 1.01 -1.26 -0.94 121.20 120.21 2hgu s ILE 131 Ca 0.32 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2hgu s ILE 131 Cb 0.01 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.92 2hgu s ILE 131 CO 0.23 -0.41 0.00 1.33 0.00 0.00 0.00 174.94 176.09 2hgu n VAL 132 N -0.17 0.00 -4.22 2.92 0.24 0.42 -4.94 118.33 112.58 2hgu n VAL 132 Ca -0.11 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 2hgu n VAL 132 Cb 0.63 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.90 2hgu n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgu s ARG 133 N 0.87 1.08 0.05 7.34 3.03 -1.26 -1.11 118.95 128.95 2hgu s ARG 133 Ca 0.00 -1.53 -0.30 0.00 2.03 0.00 0.00 55.73 55.93 2hgu s ARG 133 Cb 0.00 -0.09 -0.09 0.00 -1.03 0.00 0.00 34.95 33.74 2hgu s ARG 133 CO 0.00 -0.20 1.94 0.50 -1.13 0.00 0.00 175.30 176.42 2hgu s ARG 134 N -3.98 4.14 0.00 3.89 6.06 -1.26 -4.87 118.95 122.93 2hgu s ARG 134 Ca 0.26 2.61 0.00 0.00 -2.50 0.00 0.00 55.73 56.09 2hgu s ARG 134 Cb 0.07 -4.07 0.00 0.00 0.06 0.00 0.00 34.95 31.01 2hgu s ARG 134 CO 0.04 -0.94 0.62 -0.40 -2.50 0.00 0.00 175.30 172.13 2hgu n ASP 135 N 7.23 0.99 -2.74 -2.12 5.75 -1.26 -4.86 116.55 119.54 2hgu n ASP 135 Ca 0.20 -1.39 -0.09 0.00 -0.01 0.00 0.00 54.79 53.50 2hgu n ASP 135 Cb 0.41 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.57 2hgu n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hgu n ALA 136 N -0.19 -1.08 0.00 2.12 0.00 -1.26 -5.13 120.51 114.97 2hgu n ALA 136 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.01 2hgu n ALA 136 Cb 0.26 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2hgu n ALA 136 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2hgu n TYR 137 N 0.94 0.00 0.00 0.00 9.36 -1.26 -4.91 117.16 121.29 2hgu n TYR 137 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 2hgu n TYR 137 Cb 0.67 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.38 2hgu n TYR 137 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2hgu n ASP 138 N 0.00 0.00 -4.41 2.98 8.00 -1.26 -4.89 116.55 116.97 2hgu n ASP 138 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 2hgu n ASP 138 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 2hgu n ASP 138 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2hgu s GLU 139 N -0.35 3.54 0.30 -1.24 -6.30 -1.26 -5.12 118.70 108.27 2hgu s GLU 139 Ca 0.00 -0.57 0.02 0.00 -2.50 0.00 0.00 54.97 51.92 2hgu s GLU 139 Cb 0.00 -2.98 0.02 0.00 0.00 0.00 0.00 34.13 31.17 2hgu s GLU 139 CO 0.00 0.02 0.16 0.00 0.02 0.00 0.00 175.26 175.46 2hgu n ALA 140 N 4.18 0.40 1.95 6.30 0.00 -1.26 -5.29 120.51 126.79 2hgu n ALA 140 Ca -0.18 -1.25 0.16 0.00 0.00 0.00 0.00 53.44 52.17 2hgu n ALA 140 Cb 0.52 0.57 0.91 0.00 0.00 0.00 0.00 19.45 21.44 2hgu n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50