#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zye s ALA 3 N 0.00 1.21 -1.40 0.55 0.00 -1.26 -4.97 121.76 115.88 1zye s ALA 3 Ca 0.00 -1.59 -0.15 0.00 0.00 0.00 0.00 51.96 50.22 1zye s ALA 3 Cb 0.00 0.78 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1zye s ALA 3 CO 0.00 -0.42 2.09 0.28 0.00 0.00 0.00 175.76 177.72 1zye n VAL 4 N -0.22 3.54 0.00 0.00 0.31 -1.26 -2.18 118.33 118.52 1zye n VAL 4 Ca -0.05 -3.27 0.00 0.00 -0.01 0.00 0.00 64.34 61.01 1zye n VAL 4 Cb 0.64 -2.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 1zye n VAL 4 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1zye n THR 5 N 5.48 0.00 -2.81 2.52 -2.24 -1.12 -4.93 114.28 111.19 1zye n THR 5 Ca 0.51 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 62.07 1zye n THR 5 Cb 0.41 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1zye n THR 5 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1zye s GLN 6 N 0.00 2.78 0.38 -0.78 -0.21 -0.93 -4.80 119.66 116.10 1zye s GLN 6 Ca 0.00 -0.66 -0.26 0.00 0.02 0.00 0.00 55.36 54.46 1zye s GLN 6 Cb 0.00 -2.53 -0.09 0.00 1.00 0.00 0.00 33.01 31.39 1zye s GLN 6 CO 0.00 -0.50 1.16 -1.01 -2.12 0.00 0.00 175.29 172.82 1zye s HIS 7 N -2.66 3.15 0.19 0.91 3.76 -1.26 -1.04 115.29 118.35 1zye s HIS 7 Ca 0.53 1.57 -0.30 0.00 -0.15 0.00 0.00 55.06 56.71 1zye s HIS 7 Cb -0.10 -3.38 -0.09 0.00 1.11 0.00 0.00 32.58 30.12 1zye s HIS 7 CO 0.38 -1.20 1.33 0.00 -0.85 0.00 0.00 174.74 174.40 1zye s ALA 8 N -1.38 3.54 0.47 -1.40 0.00 0.91 -4.78 121.76 119.13 1zye s ALA 8 Ca 0.55 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 53.43 1zye s ALA 8 Cb -0.31 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.20 1zye s ALA 8 CO 0.39 -0.57 0.52 -2.30 0.00 0.00 0.00 175.76 173.81 1zye n PRO 9 N 2.76 0.56 -2.01 0.00 -0.02 -1.26 -4.91 135.00 130.12 1zye n PRO 9 Ca 0.07 0.21 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 1zye n PRO 9 Cb 0.42 -1.57 0.03 0.00 -0.02 0.00 0.00 33.50 32.37 1zye n PRO 9 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1zye s TYR 10 N -1.57 2.45 -0.05 6.00 5.04 -1.26 -4.96 117.35 123.00 1zye s TYR 10 Ca 0.65 1.53 -0.11 0.00 -2.44 0.00 0.00 57.07 56.70 1zye s TYR 10 Cb -0.54 -3.41 0.02 0.00 0.35 0.00 0.00 41.96 38.38 1zye s TYR 10 CO 0.57 -2.04 0.26 -0.59 -1.34 0.00 0.00 175.55 172.41 1zye s PHE 11 N -1.73 -0.20 0.07 4.97 -0.12 -1.26 -4.99 117.98 114.71 1zye s PHE 11 Ca 0.75 0.43 0.03 0.00 -0.05 0.00 0.00 56.93 58.09 1zye s PHE 11 Cb -0.28 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.16 1zye s PHE 11 CO 0.33 -0.25 -0.10 0.21 -0.05 0.00 0.00 175.22 175.36 1zye s LYS 12 N -0.63 0.72 0.00 1.99 2.20 -1.26 -1.38 119.74 121.38 1zye s LYS 12 Ca -0.07 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 1zye s LYS 12 Cb -0.04 -0.49 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 1zye s LYS 12 CO 0.02 0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.51 1zye n GLY 13 N 1.03 1.28 3.70 5.54 0.00 -0.82 -5.00 105.19 110.92 1zye n GLY 13 Ca -0.20 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1zye n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zye s THR 14 N -2.00 4.89 0.25 2.61 2.01 -1.26 -1.73 115.64 120.40 1zye s THR 14 Ca 0.00 1.85 0.10 0.00 0.31 0.00 0.00 61.69 63.95 1zye s THR 14 Cb 0.00 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 1zye s THR 14 CO 0.00 0.12 -0.11 0.00 -0.69 0.00 0.00 174.62 173.94 1zye s ALA 15 N 1.38 2.92 -0.63 7.40 0.00 0.58 -1.67 121.76 131.74 1zye s ALA 15 Ca 0.46 -1.69 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 1zye s ALA 15 Cb -0.19 -0.55 0.08 0.00 0.00 0.00 0.00 23.12 22.46 1zye s ALA 15 CO 0.21 0.33 0.86 0.08 0.00 0.00 0.00 175.76 177.24 1zye s VAL 16 N -2.20 4.51 -0.13 0.00 1.01 0.10 -0.80 120.40 122.90 1zye s VAL 16 Ca 0.29 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1zye s VAL 16 Cb -0.07 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1zye s VAL 16 CO 0.16 -1.32 -0.06 0.58 0.00 0.00 0.00 175.10 174.47 1zye h VAL 17 N 5.96 0.11 0.00 2.92 2.07 -0.94 -2.40 116.25 123.97 1zye h VAL 17 Ca -0.29 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1zye h VAL 17 Cb 1.08 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1zye h VAL 17 CO 1.15 0.04 0.00 -1.20 0.02 0.00 0.00 177.57 177.57 1zye n SER 18 N -4.66 0.00 -1.07 0.57 7.64 -1.26 -4.71 113.62 110.13 1zye n SER 18 Ca -0.06 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.92 1zye n SER 18 Cb 0.20 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.62 1zye n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zye n GLY 19 N 4.24 1.99 3.47 0.23 0.00 -1.26 -4.90 105.19 108.96 1zye n GLY 19 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 1zye n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zye s GLU 20 N -1.21 1.68 0.10 1.61 2.02 -1.26 -5.10 118.70 116.54 1zye s GLU 20 Ca 0.37 -1.66 -0.30 0.00 0.02 0.00 0.00 54.97 53.40 1zye s GLU 20 Cb 0.21 -1.83 -0.06 0.00 0.10 0.00 0.00 34.13 32.55 1zye s GLU 20 CO 0.28 0.36 1.01 -0.06 0.02 0.00 0.00 175.26 176.87 1zye s PHE 21 N -2.21 3.72 -0.09 1.61 0.08 -1.26 -0.26 117.98 119.57 1zye s PHE 21 Ca 0.27 1.71 -0.07 0.00 0.12 0.00 0.00 56.93 58.96 1zye s PHE 21 Cb -0.06 -3.14 0.03 0.00 -0.57 0.00 0.00 43.02 39.28 1zye s PHE 21 CO 0.14 -0.10 0.22 0.21 -0.10 0.00 0.00 175.22 175.59 1zye s LYS 22 N 0.18 0.24 0.01 0.44 2.20 0.02 -4.90 119.74 117.93 1zye s LYS 22 Ca 0.49 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 56.14 1zye s LYS 22 Cb -0.25 0.07 -0.06 0.00 -1.51 0.00 0.00 37.83 36.09 1zye s LYS 22 CO 0.30 -0.06 1.44 -1.21 -0.36 0.00 0.00 175.35 175.47 1zye s GLU 23 N 0.34 4.27 0.03 4.03 0.41 -1.26 -0.31 118.70 126.21 1zye s GLU 23 Ca -0.02 2.03 0.04 0.00 -0.41 0.00 0.00 54.97 56.61 1zye s GLU 23 Cb -0.03 -3.58 -0.02 0.00 -1.78 0.00 0.00 34.13 28.72 1zye s GLU 23 CO -0.01 -0.60 -0.13 0.96 -0.49 0.00 0.00 175.26 174.98 1zye s ILE 24 N 2.44 1.04 0.33 -1.63 -4.36 -0.71 -4.94 121.20 113.37 1zye s ILE 24 Ca 0.65 -0.87 0.03 0.00 -0.26 0.00 0.00 60.65 60.20 1zye s ILE 24 Cb -0.33 -0.93 -0.05 0.00 1.25 0.00 0.00 42.46 42.40 1zye s ILE 24 CO 0.27 0.05 0.09 -0.94 0.24 0.00 0.00 174.94 174.66 1zye s SER 25 N -0.93 2.16 0.38 4.36 1.04 -1.26 -1.94 113.70 117.51 1zye s SER 25 Ca 0.02 -1.47 0.09 0.00 0.48 0.00 0.00 55.95 55.07 1zye s SER 25 Cb -0.07 0.16 0.86 0.00 0.10 0.00 0.00 66.02 67.07 1zye s SER 25 CO 0.01 -0.74 1.94 0.25 0.98 0.00 0.00 173.24 175.67 1zye h LEU 26 N 2.09 0.57 -1.67 2.42 5.85 -1.60 -2.75 115.31 120.22 1zye h LEU 26 Ca -0.38 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1zye h LEU 26 Cb 1.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1zye h LEU 26 CO 0.63 0.34 0.04 0.44 -0.34 0.00 0.00 178.44 179.55 1zye h ASP 27 N 0.63 0.22 0.00 1.25 3.32 -1.96 -2.31 116.42 117.57 1zye h ASP 27 Ca 0.34 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1zye h ASP 27 Cb 0.50 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1zye h ASP 27 CO -0.12 0.23 0.02 0.47 -1.72 0.00 0.00 179.24 178.12 1zye n ASP 28 N -4.43 0.20 -0.27 6.45 8.00 -1.04 -1.41 116.55 124.05 1zye n ASP 28 Ca -0.00 0.58 0.02 0.00 0.71 0.00 0.00 54.79 56.11 1zye n ASP 28 Cb 0.14 -0.61 0.06 0.00 -0.02 0.00 0.00 41.12 40.70 1zye n ASP 28 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1zye n PHE 29 N -1.77 0.19 -1.64 1.24 3.72 -0.87 -4.96 117.46 113.37 1zye n PHE 29 Ca -0.01 -0.47 -0.44 0.00 -0.05 0.00 0.00 57.45 56.49 1zye n PHE 29 Cb 0.03 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.52 1zye n PHE 29 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1zye n LYS 30 N -0.03 1.69 -0.93 -1.08 3.00 -0.50 -1.36 118.16 118.95 1zye n LYS 30 Ca 0.05 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.95 1zye n LYS 30 Cb 0.31 -2.08 0.00 0.00 0.00 0.00 0.00 35.03 33.27 1zye n LYS 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1zye n GLY 31 N 1.18 0.14 3.43 3.14 0.00 0.11 -4.97 105.19 108.22 1zye n GLY 31 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1zye n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zye s LYS 32 N -1.38 1.56 0.11 1.61 1.02 -0.46 -4.79 119.74 117.41 1zye s LYS 32 Ca 0.00 -1.75 -0.21 0.00 0.02 0.00 0.00 55.97 54.03 1zye s LYS 32 Cb 0.00 -1.38 -0.07 0.00 -0.52 0.00 0.00 37.83 35.86 1zye s LYS 32 CO 0.00 0.16 0.63 0.71 -0.92 0.00 0.00 175.35 175.94 1zye s TYR 33 N -2.82 3.82 -0.09 3.18 1.51 -0.78 -1.73 117.35 120.45 1zye s TYR 33 Ca 0.28 1.37 0.03 0.00 -1.01 0.00 0.00 57.07 57.74 1zye s TYR 33 Cb 0.00 -2.57 0.01 0.00 -0.11 0.00 0.00 41.96 39.29 1zye s TYR 33 CO 0.12 0.55 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.77 1zye s LEU 34 N -1.20 1.80 -0.48 -1.29 0.20 0.08 0.30 118.68 118.09 1zye s LEU 34 Ca 0.32 -0.42 -0.11 0.00 0.69 0.00 0.00 54.13 54.61 1zye s LEU 34 Cb -0.20 -1.08 0.12 0.00 -0.43 0.00 0.00 46.19 44.59 1zye s LEU 34 CO 0.21 0.06 0.37 -0.69 -0.29 0.00 0.00 176.35 176.02 1zye s VAL 35 N 0.69 4.48 -0.26 1.68 1.01 -0.25 -0.21 120.40 127.54 1zye s VAL 35 Ca -0.13 -1.65 -0.12 0.00 0.00 0.00 0.00 61.98 60.08 1zye s VAL 35 Cb -0.16 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1zye s VAL 35 CO 0.03 -0.76 0.24 -0.22 0.00 0.00 0.00 175.10 174.39 1zye s LEU 36 N 1.43 4.06 -0.01 3.92 2.96 -0.02 -1.46 118.68 129.57 1zye s LEU 36 Ca 0.05 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1zye s LEU 36 Cb -0.27 -2.21 -0.00 0.00 0.50 0.00 0.00 46.19 44.21 1zye s LEU 36 CO 0.01 -0.05 0.04 0.72 -1.32 0.00 0.00 176.35 175.74 1zye s PHE 37 N 1.61 0.03 -0.03 5.38 -0.71 -0.81 0.25 117.98 123.69 1zye s PHE 37 Ca 0.10 -0.05 0.03 0.00 -1.04 0.00 0.00 56.93 55.97 1zye s PHE 37 Cb -0.15 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 1zye s PHE 37 CO 0.09 -0.09 -0.09 -0.06 -1.34 0.00 0.00 175.22 173.73 1zye s PHE 38 N -0.44 2.85 0.05 3.49 0.40 0.17 0.13 117.98 124.62 1zye s PHE 38 Ca -0.05 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.25 1zye s PHE 38 Cb -0.03 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.83 1zye s PHE 38 CO -0.00 0.31 -0.09 1.52 0.70 0.00 0.00 175.22 177.66 1zye s TYR 39 N -0.87 0.80 0.00 0.36 1.13 -0.08 -3.24 117.35 115.46 1zye s TYR 39 Ca 0.14 -0.52 0.00 0.00 -1.41 0.00 0.00 57.07 55.28 1zye s TYR 39 Cb -0.11 -0.47 0.00 0.00 -1.10 0.00 0.00 41.96 40.28 1zye s TYR 39 CO 0.04 -0.06 0.51 -2.30 -2.51 0.00 0.00 175.55 171.23 1zye n PRO 40 N 1.31 0.00 -4.04 -3.49 -0.02 -1.24 -4.26 135.00 123.27 1zye n PRO 40 Ca -0.22 0.20 -0.10 0.00 -2.02 0.00 0.00 63.50 61.36 1zye n PRO 40 Cb 0.55 -1.01 -0.11 0.00 -0.02 0.00 0.00 33.50 32.91 1zye n PRO 40 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1zye s LEU 41 N -1.45 2.30 0.65 2.45 1.43 -1.26 -3.89 118.68 118.90 1zye s LEU 41 Ca 0.00 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 1zye s LEU 41 Cb 0.00 0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.22 1zye s LEU 41 CO 0.00 -0.31 1.11 -1.81 0.23 0.00 0.00 176.35 175.57 1zye s ASP 42 N -1.79 5.18 -1.87 2.29 1.01 -1.26 -3.91 116.67 116.32 1zye s ASP 42 Ca -0.09 2.01 0.00 0.00 0.71 0.00 0.00 52.55 55.18 1zye s ASP 42 Cb -0.07 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1zye s ASP 42 CO -0.02 -1.58 0.00 0.49 0.21 0.00 0.00 175.17 174.27 1zye n PHE 43 N -2.31 -0.22 -3.58 4.23 3.72 -1.26 -4.99 117.46 113.05 1zye n PHE 43 Ca 0.10 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.15 1zye n PHE 43 Cb 0.52 -3.27 -0.06 0.00 -0.94 0.00 0.00 39.48 35.74 1zye n PHE 43 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1zye s THR 44 N -2.75 5.11 0.50 4.37 -4.23 -1.25 -4.99 115.64 112.40 1zye s THR 44 Ca 0.00 0.55 0.17 0.00 -1.18 0.00 0.00 61.69 61.23 1zye s THR 44 Cb 0.00 -3.65 0.25 0.00 1.34 0.00 0.00 72.50 70.44 1zye s THR 44 CO 0.00 0.40 2.11 -0.26 -0.54 0.00 0.00 174.62 176.33 1zye h PHE 45 N 4.11 0.00 0.00 3.99 0.04 -1.94 -3.23 116.94 119.92 1zye h PHE 45 Ca -0.50 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.09 1zye h PHE 45 Cb 1.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.33 1zye h PHE 45 CO 0.68 0.06 -0.85 0.28 -0.60 0.00 0.00 178.31 177.88 1zye h VAL 46 N 0.00 1.47 0.11 -0.55 2.07 -1.97 -3.41 116.25 113.96 1zye h VAL 46 Ca -0.00 -3.06 -0.29 0.00 0.82 0.00 0.00 66.70 64.17 1zye h VAL 46 Cb 0.11 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1zye h VAL 46 CO 0.01 0.83 -1.43 0.00 0.02 0.00 0.00 177.57 177.01 1zye h PRO 48 N 0.06 1.08 -0.25 0.00 0.13 -1.80 -3.01 132.00 128.21 1zye h PRO 48 Ca -0.20 -0.25 0.04 0.00 -0.87 0.00 0.00 66.00 64.72 1zye h PRO 48 Cb 1.99 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.93 1zye h PRO 48 CO 0.17 0.95 0.04 1.79 -0.23 0.00 0.00 178.00 180.71 1zye h THR 49 N 1.03 0.87 -0.63 1.56 1.35 -1.91 0.27 112.91 115.45 1zye h THR 49 Ca 0.22 -0.04 -0.05 0.00 -0.55 0.00 0.00 66.41 65.98 1zye h THR 49 Cb 0.35 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.47 1zye h THR 49 CO 0.00 0.02 0.17 -0.08 -0.25 0.00 0.00 175.52 175.39 1zye h GLU 50 N 0.13 0.97 -0.29 4.72 4.81 -1.84 -0.32 114.58 122.76 1zye h GLU 50 Ca 0.11 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1zye h GLU 50 Cb 0.12 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1zye h GLU 50 CO -0.16 0.85 -0.02 0.82 -0.73 0.00 0.00 179.01 179.77 1zye h ILE 51 N 0.93 1.26 -0.54 2.32 2.04 -1.17 -2.93 117.51 119.42 1zye h ILE 51 Ca 0.20 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1zye h ILE 51 Cb 0.30 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1zye h ILE 51 CO -0.00 0.31 0.31 0.40 0.00 0.00 0.00 178.15 179.16 1zye h ILE 52 N 0.30 1.01 -0.70 -0.67 2.04 -0.32 -2.08 117.51 117.09 1zye h ILE 52 Ca 0.08 -0.21 0.15 0.00 1.00 0.00 0.00 64.86 65.88 1zye h ILE 52 Cb 0.46 0.36 -0.11 0.00 -0.74 0.00 0.00 36.82 36.79 1zye h ILE 52 CO 0.02 0.11 0.14 0.00 0.00 0.00 0.00 178.15 178.41 1zye h ALA 53 N 1.26 0.86 -0.15 1.87 0.00 -1.01 0.08 119.26 122.18 1zye h ALA 53 Ca 0.23 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1zye h ALA 53 Cb 0.08 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1zye h ALA 53 CO -0.13 -0.35 0.03 0.74 0.00 0.00 0.00 179.25 179.54 1zye h PHE 54 N 0.24 0.26 -1.00 0.00 0.04 -1.28 -2.89 116.94 112.31 1zye h PHE 54 Ca 0.39 -0.03 0.16 0.00 2.80 0.00 0.00 57.97 61.29 1zye h PHE 54 Cb 0.66 -0.07 -0.10 0.00 2.20 0.00 0.00 35.95 38.64 1zye h PHE 54 CO -0.28 0.41 0.61 1.03 -0.60 0.00 0.00 178.31 179.48 1zye h SER 55 N 0.03 0.84 0.00 2.17 0.87 -0.52 0.16 113.55 117.09 1zye h SER 55 Ca 0.05 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1zye h SER 55 Cb 0.29 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1zye h SER 55 CO 0.00 0.36 0.00 0.47 -0.53 0.00 0.00 176.83 177.13 1zye n ASP 56 N -4.71 0.00 0.00 6.23 8.00 -0.11 -3.38 116.55 122.57 1zye n ASP 56 Ca 0.21 0.78 0.01 0.00 0.71 0.00 0.00 54.79 56.50 1zye n ASP 56 Cb 0.48 -0.35 0.07 0.00 -0.02 0.00 0.00 41.12 41.30 1zye n ASP 56 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1zye n LYS 57 N -1.55 0.10 -0.30 -1.24 4.76 -1.10 -3.98 118.16 114.86 1zye n LYS 57 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 1zye n LYS 57 Cb 0.00 -1.36 0.09 0.00 -1.84 0.00 0.00 35.03 31.92 1zye n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1zye h ALA 58 N 1.92 0.44 -0.91 7.82 0.00 -0.97 0.77 119.26 128.31 1zye h ALA 58 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 54.91 55.28 1zye h ALA 58 Cb 0.00 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1zye h ALA 58 CO 0.00 -0.46 0.57 0.66 0.00 0.00 0.00 179.25 180.02 1zye h SER 59 N -0.02 0.89 -0.98 0.00 4.64 -1.85 -1.01 113.55 115.23 1zye h SER 59 Ca 0.38 0.02 0.20 0.00 -0.47 0.00 0.00 61.79 61.92 1zye h SER 59 Cb 0.61 -0.17 -0.11 0.00 -0.31 0.00 0.00 62.40 62.42 1zye h SER 59 CO -0.86 0.56 0.57 -0.33 -0.87 0.00 0.00 176.83 175.89 1zye h GLU 60 N 1.02 0.66 -0.21 4.77 5.08 -1.16 0.84 114.58 125.58 1zye h GLU 60 Ca 0.41 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.59 1zye h GLU 60 Cb 0.22 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1zye h GLU 60 CO -0.19 0.43 -0.39 0.74 -1.00 0.00 0.00 179.01 178.60 1zye h PHE 61 N 0.67 0.80 -0.99 4.33 -1.00 -1.12 -3.06 116.94 116.58 1zye h PHE 61 Ca 0.58 -0.29 0.07 0.00 2.81 0.00 0.00 57.97 61.14 1zye h PHE 61 Cb 0.95 -0.15 -0.07 0.00 3.61 0.00 0.00 35.95 40.30 1zye h PHE 61 CO -0.03 1.04 0.64 0.45 -1.61 0.00 0.00 178.31 178.81 1zye h HIS 62 N 0.33 1.18 -0.28 -0.55 3.86 -0.26 0.12 115.15 119.54 1zye h HIS 62 Ca 0.01 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1zye h HIS 62 Cb 0.99 -0.39 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 1zye h HIS 62 CO 0.09 0.61 0.05 -0.44 0.86 0.00 0.00 177.93 179.10 1zye h ASP 63 N 1.16 0.00 -0.16 2.45 3.45 -0.89 -0.92 116.42 121.50 1zye h ASP 63 Ca 0.43 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.93 1zye h ASP 63 Cb 0.17 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1zye h ASP 63 CO -0.17 0.04 0.00 1.33 -1.57 0.00 0.00 179.24 178.87 1zye n VAL 64 N -5.09 0.74 -3.08 -1.35 0.24 -0.95 -4.90 118.33 103.93 1zye n VAL 64 Ca -0.01 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.78 1zye n VAL 64 Cb 0.12 -0.40 0.07 0.00 -1.47 0.00 0.00 33.84 32.16 1zye n VAL 64 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1zye n ASN 65 N 0.17 -2.71 -3.84 -1.34 5.15 -0.35 -4.93 115.26 107.41 1zye n ASN 65 Ca 0.08 -0.50 -0.17 0.00 -0.60 0.00 0.00 54.58 53.38 1zye n ASN 65 Cb 0.49 -4.17 -0.16 0.00 -0.53 0.00 0.00 39.78 35.41 1zye n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1zye s GLU 67 N 0.95 3.54 -0.10 0.00 0.41 0.15 -3.06 118.70 120.59 1zye s GLU 67 Ca -0.10 0.08 -0.01 0.00 -0.41 0.00 0.00 54.97 54.53 1zye s GLU 67 Cb -0.13 -2.45 0.03 0.00 -1.78 0.00 0.00 34.13 29.79 1zye s GLU 67 CO -0.01 -0.10 -0.02 0.08 -0.49 0.00 0.00 175.26 174.72 1zye s VAL 68 N -2.61 0.59 -0.11 2.63 1.01 -1.26 -1.09 120.40 119.57 1zye s VAL 68 Ca 0.46 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1zye s VAL 68 Cb -0.10 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1zye s VAL 68 CO 0.42 0.24 -0.17 0.54 0.00 0.00 0.00 175.10 176.13 1zye s VAL 69 N 1.88 1.63 0.27 2.92 0.11 -0.53 -3.17 120.40 123.51 1zye s VAL 69 Ca 0.04 -0.73 -0.12 0.00 -2.93 0.00 0.00 61.98 58.24 1zye s VAL 69 Cb -0.13 -1.47 -0.08 0.00 -1.53 0.00 0.00 36.38 33.17 1zye s VAL 69 CO -0.06 0.47 0.64 0.00 -3.33 0.00 0.00 175.10 172.81 1zye s ALA 70 N 0.84 3.45 -0.01 1.54 0.00 -0.69 -1.92 121.76 124.97 1zye s ALA 70 Ca -0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 1zye s ALA 70 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1zye s ALA 70 CO 0.00 0.42 0.14 0.54 0.00 0.00 0.00 175.76 176.87 1zye s VAL 71 N -1.90 0.06 0.20 0.00 0.11 0.12 -0.64 120.40 118.35 1zye s VAL 71 Ca 0.51 -0.52 -0.16 0.00 -2.93 0.00 0.00 61.98 58.87 1zye s VAL 71 Cb -0.11 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1zye s VAL 71 CO 0.19 -0.29 0.50 -0.94 -3.33 0.00 0.00 175.10 171.24 1zye s SER 72 N -1.02 -0.21 0.00 3.54 1.04 -1.14 -0.90 113.70 115.01 1zye s SER 72 Ca -0.11 -0.57 0.06 0.00 0.48 0.00 0.00 55.95 55.81 1zye s SER 72 Cb -0.06 0.57 0.36 0.00 0.10 0.00 0.00 66.02 66.99 1zye s SER 72 CO 0.01 -1.05 0.75 1.33 0.98 0.00 0.00 173.24 175.26 1zye n VAL 73 N -0.33 0.00 -2.13 5.02 0.24 -1.25 -1.28 118.33 118.59 1zye n VAL 73 Ca -0.09 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.90 1zye n VAL 73 Cb 0.62 -0.60 -0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1zye n VAL 73 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1zye s ASP 74 N -1.84 6.34 0.64 -1.34 1.01 -1.26 -4.00 116.67 116.22 1zye s ASP 74 Ca 0.09 1.39 -0.16 0.00 0.71 0.00 0.00 52.55 54.58 1zye s ASP 74 Cb 0.04 -2.45 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 1zye s ASP 74 CO 0.07 -0.75 1.14 -0.94 0.21 0.00 0.00 175.17 174.90 1zye s SER 75 N -3.85 5.07 0.51 0.27 1.04 -1.26 -3.24 113.70 112.24 1zye s SER 75 Ca 0.55 2.14 0.34 0.00 0.48 0.00 0.00 55.95 59.45 1zye s SER 75 Cb -0.11 -2.57 1.52 0.00 0.10 0.00 0.00 66.02 64.97 1zye s SER 75 CO 0.46 -1.66 2.00 1.12 0.98 0.00 0.00 173.24 176.15 1zye h HIS 76 N 0.29 0.00 -0.16 5.02 2.07 -1.94 -2.28 115.15 118.16 1zye h HIS 76 Ca -0.48 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.02 1zye h HIS 76 Cb 1.26 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.24 1zye h HIS 76 CO 0.52 0.00 -0.00 0.74 -3.07 0.00 0.00 177.93 176.12 1zye h PHE 77 N 0.00 0.30 -0.95 6.12 0.04 -1.98 -2.21 116.94 118.26 1zye h PHE 77 Ca 0.00 -0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.78 1zye h PHE 77 Cb 0.34 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.35 1zye h PHE 77 CO 0.00 0.50 0.62 0.77 -0.60 0.00 0.00 178.31 179.60 1zye h SER 78 N 0.02 0.98 -0.57 2.17 0.02 -1.80 -1.25 113.55 113.12 1zye h SER 78 Ca 0.04 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1zye h SER 78 Cb 0.38 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.66 1zye h SER 78 CO 0.01 0.63 0.26 0.45 -1.14 0.00 0.00 176.83 177.04 1zye h HIS 79 N 1.11 0.46 0.64 3.45 3.86 -1.33 -1.02 115.15 122.32 1zye h HIS 79 Ca 0.41 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.61 1zye h HIS 79 Cb 0.16 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.52 1zye h HIS 79 CO -0.00 0.18 -0.31 1.25 0.86 0.00 0.00 177.93 179.91 1zye h LEU 80 N 0.48 -0.72 -0.81 2.43 5.85 -0.92 -1.28 115.31 120.34 1zye h LEU 80 Ca 0.27 0.02 0.29 0.00 0.84 0.00 0.00 57.88 59.31 1zye h LEU 80 Cb 0.25 0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.32 1zye h LEU 80 CO -0.23 -0.45 0.27 0.00 -0.34 0.00 0.00 178.44 177.69 1zye n ALA 81 N -2.54 0.66 0.04 1.25 0.00 -0.51 0.03 120.51 119.45 1zye n ALA 81 Ca -0.11 0.84 -0.18 0.00 0.00 0.00 0.00 53.44 54.00 1zye n ALA 81 Cb 0.34 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 1zye n ALA 81 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1zye h TRP 82 N 0.00 0.92 -0.48 0.00 7.01 -1.08 -1.65 115.95 120.66 1zye h TRP 82 Ca 0.61 -0.48 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 1zye h TRP 82 Cb 1.49 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.42 1zye h TRP 82 CO -0.17 1.31 0.21 0.82 -2.79 0.00 0.00 178.44 177.82 1zye h ILE 83 N 0.37 1.17 -0.00 2.65 2.04 0.83 -1.76 117.51 122.81 1zye h ILE 83 Ca -0.10 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1zye h ILE 83 Cb 1.61 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1zye h ILE 83 CO 0.19 0.20 -0.05 0.59 0.00 0.00 0.00 178.15 179.07 1zye n ASN 84 N -4.37 0.20 -4.69 1.72 3.02 0.10 -2.91 115.26 108.33 1zye n ASN 84 Ca 0.04 -0.34 -0.41 0.00 -0.03 0.00 0.00 54.58 53.84 1zye n ASN 84 Cb 0.14 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.09 1zye n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1zye s THR 85 N -2.53 4.88 0.31 3.41 2.01 -0.64 -4.96 115.64 118.13 1zye s THR 85 Ca 0.29 1.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.78 1zye s THR 85 Cb 0.20 -4.20 -0.10 0.00 0.01 0.00 0.00 72.50 68.41 1zye s THR 85 CO 0.47 0.09 1.38 -2.84 -0.69 0.00 0.00 174.62 173.03 1zye s PRO 86 N 1.64 4.29 0.30 4.92 0.02 -1.26 -1.84 135.00 143.07 1zye s PRO 86 Ca 0.43 2.30 0.05 0.00 0.02 0.00 0.00 61.00 63.80 1zye s PRO 86 Cb -0.18 -3.07 0.74 0.00 0.02 0.00 0.00 34.50 32.01 1zye s PRO 86 CO 0.18 -0.33 1.74 0.00 -0.33 0.00 0.00 177.00 178.26 1zye h ARG 87 N 3.96 0.56 -0.80 5.54 3.08 -1.85 0.14 114.38 125.01 1zye h ARG 87 Ca -0.48 -0.03 0.23 0.00 0.07 0.00 0.00 59.98 59.77 1zye h ARG 87 Cb 1.22 -0.13 -0.15 0.00 0.08 0.00 0.00 29.97 31.00 1zye h ARG 87 CO 0.70 0.37 0.06 1.17 -1.07 0.00 0.00 179.97 181.20 1zye n LYS 88 N -4.91 -0.06 -2.33 0.04 4.81 -1.26 -2.04 118.16 112.41 1zye n LYS 88 Ca 0.23 1.19 -0.33 0.00 -0.87 0.00 0.00 58.31 58.52 1zye n LYS 88 Cb 0.62 -1.91 0.01 0.00 0.02 0.00 0.00 35.03 33.77 1zye n LYS 88 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1zye n ASN 89 N -5.09 5.96 0.00 3.14 3.02 0.49 -4.91 115.26 117.87 1zye n ASN 89 Ca 0.20 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 1zye n ASN 89 Cb 0.66 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1zye n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zye n GLY 90 N -0.44 2.78 0.10 7.41 0.00 -0.87 -4.86 105.19 109.31 1zye n GLY 90 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 1zye n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zye n GLY 91 N -2.00 -1.79 0.10 -0.02 0.00 -1.20 -4.89 105.19 95.40 1zye n GLY 91 Ca 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 1zye n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1zye n LEU 92 N 0.00 0.62 0.00 0.99 4.77 -0.70 -4.41 117.00 118.27 1zye n LEU 92 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1zye n LEU 92 Cb 0.02 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1zye n LEU 92 CO 0.01 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1zye n GLY 93 N 1.82 -0.40 3.60 -0.72 0.00 -0.76 -4.73 105.19 104.00 1zye n GLY 93 Ca -0.34 -1.06 -0.47 0.00 0.00 0.00 0.00 46.02 44.16 1zye n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1zye n HIS 94 N -0.35 1.47 -5.18 1.61 -0.00 -1.26 -4.67 115.22 106.84 1zye n HIS 94 Ca 0.00 0.63 -0.32 0.00 -0.00 0.00 0.00 57.72 58.04 1zye n HIS 94 Cb 0.00 -2.31 -0.16 0.00 -0.00 0.00 0.00 29.99 27.52 1zye n HIS 94 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1zye s MET 95 N -0.67 2.51 0.00 1.57 0.00 -1.26 -5.01 119.30 116.43 1zye s MET 95 Ca 0.69 -0.86 0.20 0.00 0.00 0.00 0.00 55.69 55.72 1zye s MET 95 Cb -0.77 -2.21 0.14 0.00 0.00 0.00 0.00 34.83 31.98 1zye s MET 95 CO 0.54 0.45 1.12 0.09 0.00 0.00 0.00 175.02 177.21 1zye n ASN 96 N 2.77 2.56 -4.43 1.11 3.02 -1.26 -4.96 115.26 114.07 1zye n ASN 96 Ca -0.17 -1.78 -0.27 0.00 -0.03 0.00 0.00 54.58 52.33 1zye n ASN 96 Cb 0.52 0.07 -0.12 0.00 -0.61 0.00 0.00 39.78 39.65 1zye n ASN 96 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1zye s ILE 97 N -1.77 2.41 0.22 2.41 -4.36 -1.26 -4.96 121.20 113.89 1zye s ILE 97 Ca 0.22 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 58.30 1zye s ILE 97 Cb 0.17 -2.16 -0.09 0.00 1.25 0.00 0.00 42.46 41.62 1zye s ILE 97 CO 0.29 -0.12 1.34 0.00 0.24 0.00 0.00 174.94 176.69 1zye s ALA 98 N -1.69 3.55 -0.44 2.27 0.00 -1.19 -4.89 121.76 119.37 1zye s ALA 98 Ca 0.21 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 1zye s ALA 98 Cb -0.08 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.62 1zye s ALA 98 CO 0.10 -0.59 0.31 -0.51 0.00 0.00 0.00 175.76 175.07 1zye s LEU 99 N -0.35 5.34 -0.09 0.00 1.02 -0.91 -1.70 118.68 121.99 1zye s LEU 99 Ca 0.56 -1.50 -0.20 0.00 0.02 0.00 0.00 54.13 53.02 1zye s LEU 99 Cb -0.38 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.74 1zye s LEU 99 CO 0.41 -0.59 0.56 -0.22 0.02 0.00 0.00 176.35 176.53 1zye s LEU 100 N 1.48 4.30 0.05 1.79 2.96 0.19 0.02 118.68 129.46 1zye s LEU 100 Ca 0.03 0.96 -0.23 0.00 -0.22 0.00 0.00 54.13 54.67 1zye s LEU 100 Cb -0.24 -2.83 -0.06 0.00 0.50 0.00 0.00 46.19 43.56 1zye s LEU 100 CO 0.03 -0.03 0.71 -0.55 -1.32 0.00 0.00 176.35 175.19 1zye s SER 101 N 0.63 7.16 -0.56 3.68 0.15 -0.67 -2.88 113.70 121.22 1zye s SER 101 Ca 0.30 1.38 0.06 0.00 0.70 0.00 0.00 55.95 58.40 1zye s SER 101 Cb -0.16 -2.44 0.30 0.00 -1.71 0.00 0.00 66.02 62.01 1zye s SER 101 CO 0.13 0.08 0.82 -0.67 1.20 0.00 0.00 173.24 174.80 1zye n ASP 102 N 2.56 3.42 -0.26 5.45 2.03 -0.40 -4.45 116.55 124.90 1zye n ASP 102 Ca -0.05 -3.44 -0.06 0.00 0.52 0.00 0.00 54.79 51.77 1zye n ASP 102 Cb 0.50 -0.61 0.05 0.00 -0.72 0.00 0.00 41.12 40.34 1zye n ASP 102 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1zye h LEU 103 N 3.48 0.93 -1.83 -2.67 6.46 -1.70 -1.85 115.31 118.14 1zye h LEU 103 Ca 0.14 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1zye h LEU 103 Cb 0.65 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 1zye h LEU 103 CO 0.76 0.81 0.04 0.00 -0.62 0.00 0.00 178.44 179.43 1zye h THR 104 N 1.00 0.00 0.00 1.05 1.03 -1.91 -3.46 112.91 110.61 1zye h THR 104 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.64 1zye h THR 104 Cb 0.12 0.61 0.00 0.00 -1.07 0.00 0.00 68.15 67.81 1zye h THR 104 CO -0.03 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 175.77 1zye n LYS 105 N -2.49 0.00 -0.17 0.00 5.02 -0.69 -4.87 118.16 114.96 1zye n LYS 105 Ca -0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.23 1zye n LYS 105 Cb 0.09 -3.66 0.16 0.00 -0.02 0.00 0.00 35.03 31.59 1zye n LYS 105 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1zye h GLN 106 N 0.61 0.92 0.03 1.97 5.75 -1.89 -1.36 115.11 121.13 1zye h GLN 106 Ca 0.00 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.31 1zye h GLN 106 Cb 0.00 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.41 1zye h GLN 106 CO 0.00 0.81 -0.01 0.82 -2.65 0.00 0.00 178.83 177.80 1zye h ILE 107 N 0.88 1.40 -0.85 2.39 2.04 -1.91 -1.63 117.51 119.83 1zye h ILE 107 Ca 0.19 -1.43 0.11 0.00 1.00 0.00 0.00 64.86 64.73 1zye h ILE 107 Cb 0.30 2.34 -0.06 0.00 -0.74 0.00 0.00 36.82 38.66 1zye h ILE 107 CO -0.00 0.36 0.55 0.28 0.00 0.00 0.00 178.15 179.34 1zye h SER 108 N -0.67 0.69 0.03 1.72 0.02 -1.92 -0.20 113.55 113.22 1zye h SER 108 Ca -0.00 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1zye h SER 108 Cb 0.62 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1zye h SER 108 CO 0.01 0.39 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.98 1zye h ARG 109 N 0.76 -0.04 0.00 3.45 2.43 -1.17 -1.13 114.38 118.67 1zye h ARG 109 Ca 0.41 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.55 1zye h ARG 109 Cb 0.53 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1zye h ARG 109 CO -0.17 0.22 -0.13 -0.44 -1.51 0.00 0.00 179.97 177.94 1zye h ASP 110 N -0.30 0.00 -0.02 -3.80 3.32 -0.48 -0.68 116.42 114.46 1zye h ASP 110 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1zye h ASP 110 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1zye h ASP 110 CO 0.01 0.13 0.00 -1.22 -1.72 0.00 0.00 179.24 176.43 1zye n TYR 111 N -3.88 0.01 -3.16 4.55 4.02 -0.16 -4.42 117.16 114.12 1zye n TYR 111 Ca -0.02 -0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.72 1zye n TYR 111 Cb 0.22 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.59 1zye n TYR 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1zye n GLY 112 N 1.18 0.01 0.00 2.72 0.00 -0.26 -4.85 105.19 103.99 1zye n GLY 112 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1zye n GLY 112 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1zye n VAL 113 N -3.97 0.39 -3.00 1.61 0.24 -0.48 -5.03 118.33 108.08 1zye n VAL 113 Ca -0.01 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.34 61.37 1zye n VAL 113 Cb 0.54 0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 33.81 1zye n VAL 113 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1zye s LEU 114 N -0.39 4.37 -0.26 1.34 2.96 -1.04 -0.63 118.68 125.04 1zye s LEU 114 Ca 0.00 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.33 1zye s LEU 114 Cb 0.00 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 1zye s LEU 114 CO 0.00 -0.92 1.80 -0.76 -1.32 0.00 0.00 176.35 175.15 1zye s LEU 115 N 3.19 3.67 0.42 -0.68 1.02 -0.60 -4.83 118.68 120.87 1zye s LEU 115 Ca 0.26 1.56 0.23 0.00 0.02 0.00 0.00 54.13 56.20 1zye s LEU 115 Cb -0.13 -3.53 0.60 0.00 0.02 0.00 0.00 46.19 43.15 1zye s LEU 115 CO 0.20 -1.56 1.69 -0.33 0.02 0.00 0.00 176.35 176.37 1zye h GLU 116 N 12.33 0.00 0.20 1.70 4.39 -1.94 -1.03 114.58 130.23 1zye h GLU 116 Ca -0.36 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 1zye h GLU 116 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1zye h GLU 116 CO 1.01 0.18 -0.12 0.78 -1.16 0.00 0.00 179.01 179.70 1zye h GLY 117 N 3.04 -0.48 1.68 -3.84 0.00 -1.95 -3.29 103.07 98.22 1zye h GLY 117 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1zye h GLY 117 CO 0.02 -0.17 -0.30 -0.56 0.00 0.00 0.00 176.54 175.54 1zye h PRO 118 N -0.30 0.00 -1.30 4.80 0.13 -1.99 -3.48 132.00 129.85 1zye h PRO 118 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1zye h PRO 118 Cb 0.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.36 1zye h PRO 118 CO 0.03 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.21 1zye n GLY 119 N 1.19 0.78 3.29 1.56 0.00 -0.41 -5.09 105.19 106.52 1zye n GLY 119 Ca 0.03 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 1zye n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1zye s LEU 120 N -1.30 1.15 0.35 0.99 2.34 -1.13 -4.94 118.68 116.13 1zye s LEU 120 Ca 0.00 -0.89 -0.13 0.00 0.06 0.00 0.00 54.13 53.16 1zye s LEU 120 Cb 0.00 1.04 -0.08 0.00 -0.56 0.00 0.00 46.19 46.58 1zye s LEU 120 CO 0.00 -0.85 0.74 0.00 -1.06 0.00 0.00 176.35 175.19 1zye s ALA 121 N -3.97 3.33 0.98 1.48 0.00 -1.26 -1.56 121.76 120.77 1zye s ALA 121 Ca 0.17 -0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 1zye s ALA 121 Cb 0.04 -2.74 0.18 0.00 0.00 0.00 0.00 23.12 20.60 1zye s ALA 121 CO -0.01 0.23 1.11 -0.51 0.00 0.00 0.00 175.76 176.58 1zye s LEU 122 N -3.25 1.68 -1.34 0.00 1.43 0.20 -3.60 118.68 113.79 1zye s LEU 122 Ca 0.53 1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 54.56 1zye s LEU 122 Cb -0.10 -3.26 0.10 0.00 0.03 0.00 0.00 46.19 42.96 1zye s LEU 122 CO 0.22 -3.00 1.91 0.54 0.23 0.00 0.00 176.35 176.25 1zye n ARG 123 N -4.07 3.23 -3.63 1.70 1.74 -1.00 -4.25 116.66 110.37 1zye n ARG 123 Ca 0.06 -3.20 -0.30 0.00 -0.77 0.00 0.00 57.85 53.64 1zye n ARG 123 Cb 0.58 -3.18 -0.04 0.00 -1.02 0.00 0.00 32.46 28.79 1zye n ARG 123 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1zye s GLY 124 N 2.65 2.10 -0.00 -0.13 0.00 -1.20 -1.84 107.32 108.90 1zye s GLY 124 Ca 0.46 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1zye s GLY 124 CO -0.01 -0.53 -0.01 -2.27 0.00 0.00 0.00 173.10 170.28 1zye s LEU 125 N -2.90 1.86 -0.03 0.66 0.20 0.39 0.43 118.68 119.28 1zye s LEU 125 Ca 0.41 -0.02 0.03 0.00 0.69 0.00 0.00 54.13 55.24 1zye s LEU 125 Cb -0.12 -0.07 0.00 0.00 -0.43 0.00 0.00 46.19 45.57 1zye s LEU 125 CO 0.26 -0.01 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.84 1zye s PHE 126 N 0.15 1.14 -0.32 5.38 0.08 0.14 -0.90 117.98 123.66 1zye s PHE 126 Ca -0.01 -0.30 -0.07 0.00 0.12 0.00 0.00 56.93 56.67 1zye s PHE 126 Cb -0.03 -0.80 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 1zye s PHE 126 CO -0.00 -0.12 0.11 0.42 -0.10 0.00 0.00 175.22 175.53 1zye s ILE 127 N 0.16 4.02 -0.16 0.64 1.01 -0.52 -0.84 121.20 125.50 1zye s ILE 127 Ca -0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 1zye s ILE 127 Cb -0.09 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1zye s ILE 127 CO 0.01 -0.04 -0.08 -0.63 0.00 0.00 0.00 174.94 174.20 1zye s ILE 128 N 1.48 3.42 0.75 2.92 1.01 0.70 -1.17 121.20 130.31 1zye s ILE 128 Ca 0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 1zye s ILE 128 Cb -0.18 -2.49 0.04 0.00 0.01 0.00 0.00 42.46 39.84 1zye s ILE 128 CO 0.03 0.49 1.10 1.51 0.00 0.00 0.00 174.94 178.07 1zye s ASP 129 N 0.60 5.03 0.49 3.58 1.47 0.16 -0.74 116.67 127.26 1zye s ASP 129 Ca -0.05 1.20 0.36 0.00 1.18 0.00 0.00 52.55 55.24 1zye s ASP 129 Cb -0.15 -1.96 1.51 0.00 -0.34 0.00 0.00 42.92 41.98 1zye s ASP 129 CO 0.03 -1.61 1.65 1.55 0.68 0.00 0.00 175.17 177.47 1zye h PRO 130 N -0.84 0.07 0.00 2.11 0.13 -1.63 0.42 132.00 132.26 1zye h PRO 130 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1zye h PRO 130 Cb 1.26 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1zye h PRO 130 CO 0.62 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.52 1zye n ASN 131 N -4.38 0.00 0.00 1.44 4.13 -1.26 -0.71 115.26 114.47 1zye n ASN 131 Ca 0.36 -0.77 0.00 0.00 1.68 0.00 0.00 54.58 55.85 1zye n ASN 131 Cb 1.52 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 39.69 1zye n ASN 131 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zye n GLY 132 N 1.02 0.43 3.73 7.41 0.00 0.15 -5.00 105.19 112.93 1zye n GLY 132 Ca 0.21 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 1zye n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zye s VAL 133 N -2.00 5.40 -0.11 1.61 1.01 -1.24 -0.06 120.40 125.01 1zye s VAL 133 Ca 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1zye s VAL 133 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1zye s VAL 133 CO 0.00 0.43 1.05 0.27 0.00 0.00 0.00 175.10 176.86 1zye s ILE 134 N 0.37 4.66 -0.33 2.22 -5.25 -0.20 -0.67 121.20 122.00 1zye s ILE 134 Ca 0.09 1.94 0.15 0.00 -0.99 0.00 0.00 60.65 61.85 1zye s ILE 134 Cb -0.11 -4.25 -0.21 0.00 2.95 0.00 0.00 42.46 40.84 1zye s ILE 134 CO -0.01 -0.02 0.48 0.29 -1.79 0.00 0.00 174.94 173.89 1zye n LYS 135 N 5.19 1.16 -3.65 0.37 4.76 -0.31 -2.79 118.16 122.88 1zye n LYS 135 Ca 0.10 -0.08 -0.14 0.00 -2.87 0.00 0.00 58.31 55.31 1zye n LYS 135 Cb 0.48 -1.30 -0.08 0.00 -1.84 0.00 0.00 35.03 32.29 1zye n LYS 135 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1zye s HIS 136 N -2.79 -0.63 -0.01 2.13 5.04 -1.22 -5.00 115.29 112.82 1zye s HIS 136 Ca -0.01 1.46 0.01 0.00 -1.54 0.00 0.00 55.06 54.98 1zye s HIS 136 Cb 0.11 0.25 0.00 0.00 0.04 0.00 0.00 32.58 32.98 1zye s HIS 136 CO 0.64 -0.37 -0.02 -0.48 -2.34 0.00 0.00 174.74 172.16 1zye s LEU 137 N -0.02 1.87 -0.04 8.88 0.05 -1.26 -1.44 118.68 126.72 1zye s LEU 137 Ca -0.03 -0.04 0.05 0.00 0.05 0.00 0.00 54.13 54.16 1zye s LEU 137 Cb -0.04 -0.15 -0.03 0.00 -2.05 0.00 0.00 46.19 43.93 1zye s LEU 137 CO 0.02 0.01 -0.16 -0.44 -0.55 0.00 0.00 176.35 175.23 1zye s SER 138 N 0.11 3.88 -0.06 1.48 0.01 -0.07 -4.97 113.70 114.08 1zye s SER 138 Ca -0.01 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 1zye s SER 138 Cb -0.03 -0.76 0.03 0.00 0.21 0.00 0.00 66.02 65.47 1zye s SER 138 CO -0.00 0.33 -0.00 -0.69 0.41 0.00 0.00 173.24 173.29 1zye s VAL 139 N -0.73 0.34 -0.06 3.43 1.01 -1.26 -0.46 120.40 122.67 1zye s VAL 139 Ca 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1zye s VAL 139 Cb -0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1zye s VAL 139 CO 0.01 0.23 -0.00 0.20 0.00 0.00 0.00 175.10 175.53 1zye s ASN 140 N 1.65 5.15 1.00 3.32 0.01 -0.76 -5.00 114.94 120.32 1zye s ASN 140 Ca -0.00 0.09 -0.16 0.00 -0.71 0.00 0.00 52.86 52.08 1zye s ASN 140 Cb -0.13 -1.41 -0.00 0.00 0.41 0.00 0.00 41.25 40.12 1zye s ASN 140 CO -0.04 0.35 -0.09 -0.67 -1.51 0.00 0.00 177.10 175.14 1zye n ASP 141 N 1.95 -3.02 -0.30 -1.22 -0.08 -1.26 -2.38 116.55 110.23 1zye n ASP 141 Ca -0.17 0.17 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1zye n ASP 141 Cb 0.53 -1.00 0.05 0.00 2.34 0.00 0.00 41.12 43.05 1zye n ASP 141 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1zye h LEU 142 N -1.52 -1.13 -2.56 -2.67 3.38 -1.96 -3.24 115.31 105.60 1zye h LEU 142 Ca -0.46 0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 1zye h LEU 142 Cb 1.31 0.63 -0.09 0.00 0.09 0.00 0.00 40.66 42.60 1zye h LEU 142 CO 0.32 -0.29 0.19 -0.81 0.09 0.00 0.00 178.44 177.94 1zye n PRO 143 N -5.49 1.62 -3.66 1.13 -0.04 -1.26 -4.85 135.00 122.45 1zye n PRO 143 Ca 0.09 -1.07 -0.24 0.00 -0.04 0.00 0.00 63.50 62.24 1zye n PRO 143 Cb 0.40 -1.48 -0.17 0.00 -0.04 0.00 0.00 33.50 32.20 1zye n PRO 143 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1zye s VAL 144 N -1.25 0.02 0.54 0.52 1.01 -1.22 -5.13 120.40 114.89 1zye s VAL 144 Ca 0.20 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 1zye s VAL 144 Cb 0.16 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.99 1zye s VAL 144 CO 0.04 -0.09 1.18 -0.83 0.00 0.00 0.00 175.10 175.40 1zye s GLY 145 N 2.10 2.72 0.61 4.51 0.00 -1.26 -4.87 107.32 111.13 1zye s GLY 145 Ca 0.03 0.94 -0.11 0.00 0.00 0.00 0.00 44.72 45.59 1zye s GLY 145 CO -0.07 1.35 1.01 0.50 0.00 0.00 0.00 173.10 175.89 1zye s ARG 146 N -3.12 3.58 -0.42 2.90 0.52 -1.26 -5.07 118.95 116.08 1zye s ARG 146 Ca 0.72 0.70 -0.21 0.00 -0.52 0.00 0.00 55.73 56.42 1zye s ARG 146 Cb -0.28 -2.10 0.02 0.00 0.52 0.00 0.00 34.95 33.11 1zye s ARG 146 CO 0.32 -0.55 0.65 0.45 0.02 0.00 0.00 175.30 176.18 1zye s SER 147 N -4.18 6.35 0.26 0.23 0.15 -1.26 -4.95 113.70 110.31 1zye s SER 147 Ca 0.55 -0.20 -0.03 0.00 0.70 0.00 0.00 55.95 56.97 1zye s SER 147 Cb -0.11 -2.32 0.38 0.00 -1.71 0.00 0.00 66.02 62.26 1zye s SER 147 CO 0.53 -0.74 1.89 0.58 1.20 0.00 0.00 173.24 176.71 1zye h VAL 148 N 5.83 1.12 -0.32 4.45 2.07 -1.94 -2.03 116.25 125.42 1zye h VAL 148 Ca -0.26 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1zye h VAL 148 Cb 1.10 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1zye h VAL 148 CO 0.88 0.22 0.16 -0.33 0.02 0.00 0.00 177.57 178.52 1zye h GLU 149 N 1.21 0.32 -0.44 1.57 4.39 -1.96 -1.73 114.58 117.94 1zye h GLU 149 Ca 0.42 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.15 1zye h GLU 149 Cb 0.11 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1zye h GLU 149 CO -0.16 0.21 0.18 1.49 -1.16 0.00 0.00 179.01 179.58 1zye h GLU 150 N 0.33 0.36 -0.54 2.33 4.57 -1.85 -1.43 114.58 118.34 1zye h GLU 150 Ca 0.13 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1zye h GLU 150 Cb 0.05 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 1zye h GLU 150 CO -0.09 0.24 0.26 1.15 -1.18 0.00 0.00 179.01 179.38 1zye h THR 151 N 0.37 0.91 -0.68 0.32 2.02 -1.14 -1.47 112.91 113.24 1zye h THR 151 Ca 0.20 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 1zye h THR 151 Cb 0.16 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1zye h THR 151 CO -0.18 0.09 0.25 0.25 0.37 0.00 0.00 175.52 176.30 1zye h LEU 152 N 0.49 0.95 -0.64 2.58 5.85 -0.90 -1.27 115.31 122.36 1zye h LEU 152 Ca 0.25 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1zye h LEU 152 Cb 0.20 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1zye h LEU 152 CO -0.20 0.88 0.36 -0.09 -0.34 0.00 0.00 178.44 179.06 1zye h ARG 153 N 0.97 0.65 -0.40 1.25 2.43 -0.93 -1.99 114.38 116.37 1zye h ARG 153 Ca 0.22 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1zye h ARG 153 Cb 0.24 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1zye h ARG 153 CO -0.01 0.43 0.19 -0.07 -1.51 0.00 0.00 179.97 179.00 1zye h LEU 154 N 0.67 0.52 -0.16 3.80 3.38 -0.56 -0.22 115.31 122.74 1zye h LEU 154 Ca 0.29 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1zye h LEU 154 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1zye h LEU 154 CO -0.17 0.50 0.07 0.58 0.09 0.00 0.00 178.44 179.51 1zye h VAL 155 N 0.50 0.98 -0.40 1.22 2.07 -1.06 -1.84 116.25 117.73 1zye h VAL 155 Ca 0.14 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.66 1zye h VAL 155 Cb 0.12 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1zye h VAL 155 CO -0.02 0.03 0.11 0.11 0.02 0.00 0.00 177.57 177.82 1zye h LYS 156 N 0.15 0.24 -1.01 1.57 1.57 -1.18 -2.55 116.57 115.38 1zye h LYS 156 Ca 0.07 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1zye h LYS 156 Cb 0.02 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.20 1zye h LYS 156 CO -0.06 0.16 0.64 0.00 -0.57 0.00 0.00 179.45 179.62 1zye h ALA 157 N 1.28 1.48 0.00 3.86 0.00 -0.42 -0.31 119.26 125.16 1zye h ALA 157 Ca 0.19 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1zye h ALA 157 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1zye h ALA 157 CO -0.22 0.30 -0.50 0.74 0.00 0.00 0.00 179.25 179.57 1zye h PHE 158 N 1.06 0.00 -0.14 0.00 0.04 -0.95 -2.42 116.94 114.52 1zye h PHE 158 Ca 0.48 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 61.13 1zye h PHE 158 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1zye h PHE 158 CO -0.00 0.50 -0.38 1.96 -0.60 0.00 0.00 178.31 179.79 1zye h GLN 159 N 0.00 0.50 0.17 1.51 4.20 -0.81 -2.67 115.11 118.02 1zye h GLN 159 Ca -0.01 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.36 1zye h GLN 159 Cb 1.01 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 1zye h GLN 159 CO 0.07 0.97 -0.30 0.35 -0.67 0.00 0.00 178.83 179.24 1zye h PHE 160 N 0.12 -0.82 0.00 2.96 3.04 -0.98 -1.99 116.94 119.27 1zye h PHE 160 Ca -0.01 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1zye h PHE 160 Cb 0.99 0.34 0.00 0.00 2.56 0.00 0.00 35.95 39.84 1zye h PHE 160 CO 0.10 -0.42 0.00 1.55 -2.02 0.00 0.00 178.31 177.53 1zye n VAL 161 N -5.41 0.78 -0.54 1.41 3.14 -0.93 -0.91 118.33 115.88 1zye n VAL 161 Ca -0.07 0.20 0.09 0.00 -2.96 0.00 0.00 64.34 61.59 1zye n VAL 161 Cb 0.32 -1.05 0.30 0.00 -1.06 0.00 0.00 33.84 32.34 1zye n VAL 161 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1zye n GLU 162 N -1.27 3.31 0.00 1.45 2.13 -0.75 -5.09 120.64 120.41 1zye n GLU 162 Ca 0.04 -2.67 0.00 0.00 0.66 0.00 0.00 57.16 55.19 1zye n GLU 162 Cb 0.07 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.07 1zye n GLU 162 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72