#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 1.71 -1.03 0.55 0.00 -1.26 -4.98 121.76 116.75 1zye s ALA 3 Ca 0.00 -1.69 -0.23 0.00 0.00 0.00 0.00 51.96 50.05 1zye s ALA 3 Cb 0.00 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.50 1zye s ALA 3 CO 0.00 -0.20 1.60 0.08 0.00 0.00 0.00 175.76 177.24 1zye s VAL 4 N -3.38 3.83 0.00 0.00 1.01 -1.26 -2.59 120.40 118.01 1zye s VAL 4 Ca 0.25 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1zye s VAL 4 Cb 0.05 -4.85 0.00 0.00 0.00 0.00 0.00 36.38 31.58 1zye s VAL 4 CO 0.06 -1.72 0.00 0.35 0.00 0.00 0.00 175.10 173.79 1zye n THR 5 N 7.07 0.00 -3.31 3.92 -2.24 -1.08 -4.98 114.28 113.66 1zye n THR 5 Ca 0.37 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.96 1zye n THR 5 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 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 2.71 0.24 -0.78 -0.21 -1.07 -4.86 119.66 115.69 1zye s GLN 6 Ca 0.00 -1.36 -0.30 0.00 0.02 0.00 0.00 55.36 53.72 1zye s GLN 6 Cb 0.00 -2.58 -0.09 0.00 1.00 0.00 0.00 33.01 31.34 1zye s GLN 6 CO 0.00 -0.21 0.99 -1.01 -2.12 0.00 0.00 175.29 172.94 1zye s HIS 7 N -2.40 3.85 0.36 0.91 3.76 -1.26 -1.46 115.29 119.06 1zye s HIS 7 Ca 0.51 1.84 -0.28 0.00 -0.15 0.00 0.00 55.06 56.98 1zye s HIS 7 Cb -0.07 -3.08 -0.10 0.00 1.11 0.00 0.00 32.58 30.44 1zye s HIS 7 CO 0.30 0.12 1.39 0.00 -0.85 0.00 0.00 174.74 175.71 1zye s ALA 8 N -1.06 3.50 0.62 -1.40 0.00 -0.13 -4.85 121.76 118.44 1zye s ALA 8 Ca 0.43 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.62 1zye s ALA 8 Cb -0.28 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 1zye s ALA 8 CO 0.34 -0.87 0.80 -2.30 0.00 0.00 0.00 175.76 173.73 1zye n PRO 9 N 0.54 0.68 -1.90 0.00 -0.02 -1.26 -4.93 135.00 128.11 1zye n PRO 9 Ca 0.01 0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 61.41 1zye n PRO 9 Cb 0.41 -2.01 0.04 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.63 2.41 -0.03 6.00 5.04 -1.26 -4.97 117.35 122.91 1zye s TYR 10 Ca 0.73 1.54 -0.10 0.00 -2.44 0.00 0.00 57.07 56.80 1zye s TYR 10 Cb -0.41 -3.39 0.01 0.00 0.35 0.00 0.00 41.96 38.52 1zye s TYR 10 CO 0.50 -2.09 0.23 -0.59 -1.34 0.00 0.00 175.55 172.25 1zye s PHE 11 N -1.83 -0.12 0.05 4.97 -0.12 -1.26 -5.00 117.98 114.67 1zye s PHE 11 Ca 0.74 0.22 -0.03 0.00 -0.05 0.00 0.00 56.93 57.81 1zye s PHE 11 Cb -0.27 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 1zye s PHE 11 CO 0.36 -0.28 0.03 0.21 -0.05 0.00 0.00 175.22 175.49 1zye s LYS 12 N -0.96 0.58 0.00 1.99 2.20 -1.26 -1.93 119.74 120.36 1zye s LYS 12 Ca -0.10 -0.95 0.00 0.00 -0.36 0.00 0.00 55.97 54.56 1zye s LYS 12 Cb -0.05 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1zye s LYS 12 CO 0.02 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1zye n GLY 13 N 0.54 2.46 3.74 5.54 0.00 -1.02 -5.00 105.19 111.45 1zye n GLY 13 Ca -0.17 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 4.90 0.24 2.61 2.01 -1.26 -1.68 115.64 120.46 1zye s THR 14 Ca 0.00 1.45 0.11 0.00 0.31 0.00 0.00 61.69 63.56 1zye s THR 14 Cb 0.00 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1zye s THR 14 CO 0.00 0.33 -0.18 0.00 -0.69 0.00 0.00 174.62 174.09 1zye s ALA 15 N 0.25 2.75 -0.63 7.40 0.00 0.37 -1.18 121.76 130.72 1zye s ALA 15 Ca 0.36 -1.73 -0.20 0.00 0.00 0.00 0.00 51.96 50.38 1zye s ALA 15 Cb -0.19 -0.39 0.09 0.00 0.00 0.00 0.00 23.12 22.63 1zye s ALA 15 CO 0.19 0.35 0.82 0.08 0.00 0.00 0.00 175.76 177.21 1zye s VAL 16 N -2.13 4.62 -0.15 0.00 1.01 -0.23 -0.61 120.40 122.91 1zye s VAL 16 Ca 0.27 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 1zye s VAL 16 Cb -0.06 -4.58 -0.13 0.00 0.00 0.00 0.00 36.38 31.61 1zye s VAL 16 CO 0.14 -1.27 0.22 0.58 0.00 0.00 0.00 175.10 174.76 1zye h VAL 17 N 5.93 0.71 0.00 2.92 2.07 -0.80 -2.82 116.25 124.26 1zye h VAL 17 Ca -0.27 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1zye h VAL 17 Cb 1.08 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1zye h VAL 17 CO 1.13 0.24 0.00 -1.20 0.02 0.00 0.00 177.57 177.76 1zye n SER 18 N -4.61 0.00 -1.27 0.57 7.64 -1.26 -4.70 113.62 109.99 1zye n SER 18 Ca -0.13 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.87 1zye n SER 18 Cb 0.37 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.85 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 4.39 2.20 3.47 0.23 0.00 -1.26 -4.91 105.19 109.31 1zye n GLY 19 Ca 0.00 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.19 1.69 0.04 1.61 2.02 -1.26 -5.09 118.70 116.52 1zye s GLU 20 Ca 0.45 -1.52 -0.28 0.00 0.02 0.00 0.00 54.97 53.63 1zye s GLU 20 Cb 0.24 -1.90 -0.05 0.00 0.10 0.00 0.00 34.13 32.52 1zye s GLU 20 CO 0.32 0.39 0.90 -0.06 0.02 0.00 0.00 175.26 176.84 1zye s PHE 21 N -1.87 3.72 -0.05 1.61 0.08 -1.26 -0.07 117.98 120.14 1zye s PHE 21 Ca 0.24 1.64 -0.04 0.00 0.12 0.00 0.00 56.93 58.89 1zye s PHE 21 Cb -0.07 -3.00 0.01 0.00 -0.57 0.00 0.00 43.02 39.38 1zye s PHE 21 CO 0.12 0.13 0.13 0.21 -0.10 0.00 0.00 175.22 175.71 1zye s LYS 22 N 0.42 0.15 0.08 0.44 2.20 0.22 -4.88 119.74 118.36 1zye s LYS 22 Ca 0.46 0.18 -0.31 0.00 -0.36 0.00 0.00 55.97 55.94 1zye s LYS 22 Cb -0.21 0.07 -0.07 0.00 -1.51 0.00 0.00 37.83 36.11 1zye s LYS 22 CO 0.27 -0.02 1.29 -1.21 -0.36 0.00 0.00 175.35 175.32 1zye s GLU 23 N 0.08 4.38 0.01 4.03 0.41 -1.26 -0.48 118.70 125.87 1zye s GLU 23 Ca -0.00 1.91 0.02 0.00 -0.41 0.00 0.00 54.97 56.49 1zye s GLU 23 Cb -0.01 -3.31 -0.01 0.00 -1.78 0.00 0.00 34.13 29.02 1zye s GLU 23 CO 0.00 -0.35 -0.07 0.96 -0.49 0.00 0.00 175.26 175.31 1zye s ILE 24 N 1.14 0.52 0.32 -1.63 -4.36 -0.68 -4.93 121.20 111.59 1zye s ILE 24 Ca 0.61 -0.51 0.03 0.00 -0.26 0.00 0.00 60.65 60.52 1zye s ILE 24 Cb -0.33 -0.49 -0.05 0.00 1.25 0.00 0.00 42.46 42.84 1zye s ILE 24 CO 0.29 -0.01 0.08 -0.94 0.24 0.00 0.00 174.94 174.60 1zye s SER 25 N -0.58 2.09 0.49 4.36 1.04 -1.26 -2.44 113.70 117.40 1zye s SER 25 Ca -0.01 -1.42 0.20 0.00 0.48 0.00 0.00 55.95 55.20 1zye s SER 25 Cb -0.05 0.06 1.23 0.00 0.10 0.00 0.00 66.02 67.37 1zye s SER 25 CO 0.00 -0.69 2.00 0.25 0.98 0.00 0.00 173.24 175.79 1zye h LEU 26 N 2.15 0.15 -1.79 2.42 5.85 -1.76 -2.27 115.31 120.06 1zye h LEU 26 Ca -0.39 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1zye h LEU 26 Cb 1.25 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1zye h LEU 26 CO 0.65 0.09 -0.14 0.44 -0.34 0.00 0.00 178.44 179.14 1zye h ASP 27 N 0.17 0.00 0.55 1.25 3.32 -1.96 -2.42 116.42 117.33 1zye h ASP 27 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1zye h ASP 27 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1zye h ASP 27 CO -0.04 0.14 0.00 0.47 -1.72 0.00 0.00 179.24 178.09 1zye n ASP 28 N -3.62 0.32 -0.60 6.45 8.00 -0.85 -2.37 116.55 123.88 1zye n ASP 28 Ca -0.02 0.58 0.05 0.00 0.71 0.00 0.00 54.79 56.12 1zye n ASP 28 Cb 0.27 -0.65 0.14 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.86 0.43 -1.66 1.24 3.72 -0.91 -4.96 117.46 113.46 1zye n PHE 29 Ca 0.02 -0.49 -0.46 0.00 -0.05 0.00 0.00 57.45 56.48 1zye n PHE 29 Cb 0.18 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 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 0.47 1.92 -0.76 -1.08 3.00 -1.00 -1.48 118.16 119.23 1zye n LYS 30 Ca 0.11 0.69 0.00 0.00 -0.00 0.00 0.00 58.31 59.10 1zye n LYS 30 Cb 0.41 -2.35 0.00 0.00 0.00 0.00 0.00 35.03 33.09 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 2.46 1.05 3.41 3.14 0.00 -0.20 -5.00 105.19 110.05 1zye n GLY 31 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.17 1.50 0.29 1.61 1.02 -0.55 -4.79 119.74 118.66 1zye s LYS 32 Ca 0.00 -1.68 -0.24 0.00 0.02 0.00 0.00 55.97 54.07 1zye s LYS 32 Cb 0.00 -1.44 -0.09 0.00 -0.52 0.00 0.00 37.83 35.77 1zye s LYS 32 CO 0.00 0.26 0.88 0.71 -0.92 0.00 0.00 175.35 176.28 1zye s TYR 33 N -2.74 3.68 -0.09 3.18 1.51 -0.72 -2.74 117.35 119.43 1zye s TYR 33 Ca 0.26 1.67 0.01 0.00 -1.01 0.00 0.00 57.07 58.00 1zye s TYR 33 Cb -0.03 -2.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.01 1zye s TYR 33 CO 0.11 0.24 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.53 1zye s LEU 34 N -2.04 1.36 -0.50 -1.29 0.20 0.45 -0.60 118.68 116.26 1zye s LEU 34 Ca 0.48 -0.29 -0.16 0.00 0.69 0.00 0.00 54.13 54.86 1zye s LEU 34 Cb -0.18 -0.80 0.09 0.00 -0.43 0.00 0.00 46.19 44.87 1zye s LEU 34 CO 0.23 -0.06 0.45 -0.69 -0.29 0.00 0.00 176.35 175.99 1zye s VAL 35 N 1.27 5.20 -0.22 1.68 1.01 -0.29 -0.71 120.40 128.33 1zye s VAL 35 Ca -0.03 -1.18 -0.09 0.00 0.00 0.00 0.00 61.98 60.68 1zye s VAL 35 Cb -0.14 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1zye s VAL 35 CO -0.03 -0.70 0.11 -0.22 0.00 0.00 0.00 175.10 174.26 1zye s LEU 36 N 1.71 3.92 -0.00 3.92 2.96 -0.26 -1.90 118.68 129.02 1zye s LEU 36 Ca 0.04 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1zye s LEU 36 Cb -0.26 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.40 1zye s LEU 36 CO 0.06 0.09 -0.00 0.72 -1.32 0.00 0.00 176.35 175.89 1zye s PHE 37 N 0.90 0.06 -0.00 5.38 -0.71 -0.85 0.45 117.98 123.20 1zye s PHE 37 Ca 0.06 0.00 -0.02 0.00 -1.04 0.00 0.00 56.93 55.93 1zye s PHE 37 Cb -0.13 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 1zye s PHE 37 CO 0.03 -0.01 0.15 -0.06 -1.34 0.00 0.00 175.22 173.98 1zye s PHE 38 N 0.12 3.45 0.05 3.49 0.40 0.79 0.02 117.98 126.29 1zye s PHE 38 Ca -0.01 0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.62 1zye s PHE 38 Cb -0.02 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1zye s PHE 38 CO -0.00 0.61 -0.05 1.52 0.70 0.00 0.00 175.22 178.00 1zye s TYR 39 N -1.29 0.53 0.00 0.36 1.13 -0.32 -3.75 117.35 114.02 1zye s TYR 39 Ca 0.26 -0.72 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 1zye s TYR 39 Cb -0.12 -0.35 0.00 0.00 -1.10 0.00 0.00 41.96 40.39 1zye s TYR 39 CO 0.17 -0.20 0.52 -2.30 -2.51 0.00 0.00 175.55 171.23 1zye n PRO 40 N 0.92 0.00 -3.97 -3.49 -0.02 -1.22 -4.36 135.00 122.86 1zye n PRO 40 Ca -0.19 0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.37 1zye n PRO 40 Cb 0.57 -1.02 -0.11 0.00 -0.02 0.00 0.00 33.50 32.92 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 -1.44 2.22 0.73 2.45 1.43 -1.26 -3.92 118.68 118.88 1zye s LEU 41 Ca 0.00 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 1zye s LEU 41 Cb 0.00 0.08 0.04 0.00 0.03 0.00 0.00 46.19 46.34 1zye s LEU 41 CO 0.00 -0.27 1.14 -1.81 0.23 0.00 0.00 176.35 175.65 1zye s ASP 42 N -1.32 4.49 -1.57 2.29 1.01 -1.26 -3.79 116.67 116.52 1zye s ASP 42 Ca -0.14 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.23 1zye s ASP 42 Cb -0.09 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1zye s ASP 42 CO -0.01 -2.05 0.00 0.49 0.21 0.00 0.00 175.17 173.81 1zye n PHE 43 N -2.87 0.00 -3.58 4.23 3.72 -1.26 -4.99 117.46 112.71 1zye n PHE 43 Ca 0.11 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.15 1zye n PHE 43 Cb 0.52 -2.67 -0.06 0.00 -0.94 0.00 0.00 39.48 36.33 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 -2.51 5.11 0.59 4.37 -4.23 -1.25 -4.99 115.64 112.74 1zye s THR 44 Ca 0.00 0.61 0.32 0.00 -1.18 0.00 0.00 61.69 61.44 1zye s THR 44 Cb 0.00 -3.65 0.37 0.00 1.34 0.00 0.00 72.50 70.56 1zye s THR 44 CO 0.00 0.47 2.27 -0.26 -0.54 0.00 0.00 174.62 176.56 1zye h PHE 45 N 4.35 0.00 0.00 3.99 0.04 -1.94 -3.19 116.94 120.20 1zye h PHE 45 Ca -0.51 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.00 1zye h PHE 45 Cb 1.21 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.32 1zye h PHE 45 CO 0.70 0.01 -1.53 0.28 -0.60 0.00 0.00 178.31 177.16 1zye h VAL 46 N 0.00 0.97 0.17 -0.55 2.07 -1.96 -3.42 116.25 113.52 1zye h VAL 46 Ca -0.00 -2.76 -0.30 0.00 0.82 0.00 0.00 66.70 64.46 1zye h VAL 46 Cb 0.02 2.46 0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1zye h VAL 46 CO 0.00 0.55 -1.32 0.00 0.02 0.00 0.00 177.57 176.82 1zye h PRO 48 N 0.14 0.29 -0.59 0.00 0.13 -1.81 -2.73 132.00 127.42 1zye h PRO 48 Ca -0.19 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1zye h PRO 48 Cb 2.02 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 33.10 1zye h PRO 48 CO 0.24 0.47 0.02 1.79 -0.23 0.00 0.00 178.00 180.28 1zye h THR 49 N 0.26 1.26 -0.18 1.56 1.35 -1.91 -0.99 112.91 114.26 1zye h THR 49 Ca 0.05 -1.11 -0.16 0.00 -0.55 0.00 0.00 66.41 64.64 1zye h THR 49 Cb 0.49 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1zye h THR 49 CO 0.03 0.40 -0.54 -0.08 -0.25 0.00 0.00 175.52 175.08 1zye h GLU 50 N 0.94 0.55 -0.27 4.72 4.81 -1.78 -1.38 114.58 122.17 1zye h GLU 50 Ca 0.17 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1zye h GLU 50 Cb 0.52 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1zye h GLU 50 CO 0.03 0.95 -0.15 0.82 -0.73 0.00 0.00 179.01 179.92 1zye h ILE 51 N 0.42 1.30 -0.44 2.32 2.04 -1.44 -2.91 117.51 118.80 1zye h ILE 51 Ca 0.01 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.64 1zye h ILE 51 Cb 1.08 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.67 1zye h ILE 51 CO 0.10 0.40 0.22 0.40 0.00 0.00 0.00 178.15 179.27 1zye h ILE 52 N 0.31 0.97 -0.73 -0.67 2.04 -1.20 -2.26 117.51 115.98 1zye h ILE 52 Ca 0.06 -0.15 0.15 0.00 1.00 0.00 0.00 64.86 65.92 1zye h ILE 52 Cb 0.68 0.49 -0.10 0.00 -0.74 0.00 0.00 36.82 37.14 1zye h ILE 52 CO 0.04 0.08 0.20 0.00 0.00 0.00 0.00 178.15 178.47 1zye h ALA 53 N 1.23 0.95 -0.46 1.87 0.00 -1.10 0.31 119.26 122.07 1zye h ALA 53 Ca 0.19 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1zye h ALA 53 Cb 0.09 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1zye h ALA 53 CO -0.13 -0.31 -0.05 0.74 0.00 0.00 0.00 179.25 179.50 1zye h PHE 54 N 0.30 0.93 -0.96 0.00 0.04 -1.33 -2.65 116.94 113.28 1zye h PHE 54 Ca 0.41 -0.18 0.02 0.00 2.80 0.00 0.00 57.97 61.02 1zye h PHE 54 Cb 0.67 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.54 1zye h PHE 54 CO -0.24 0.91 0.63 1.03 -0.60 0.00 0.00 178.31 180.04 1zye h SER 55 N 0.69 1.07 0.76 2.17 0.87 -0.52 -0.57 113.55 118.01 1zye h SER 55 Ca 0.12 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1zye h SER 55 Cb 0.57 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1zye h SER 55 CO 0.03 0.76 -0.37 0.44 -0.53 0.00 0.00 176.83 177.16 1zye h ASP 56 N 1.25 -0.87 0.00 6.23 3.32 -1.01 -3.15 116.42 122.20 1zye h ASP 56 Ca 0.37 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1zye h ASP 56 Cb -0.08 0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1zye h ASP 56 CO -0.10 -0.53 0.00 0.29 -1.72 0.00 0.00 179.24 177.18 1zye n LYS 57 N -5.25 0.53 -0.28 3.56 4.76 -1.00 -4.10 118.16 116.37 1zye n LYS 57 Ca -0.13 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.37 1zye n LYS 57 Cb 0.40 -1.17 0.20 0.00 -1.84 0.00 0.00 35.03 32.62 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 2.41 1.19 -0.56 7.82 0.00 -1.06 -0.67 119.26 128.39 1zye h ALA 58 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1zye h ALA 58 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1zye h ALA 58 CO 0.00 -0.09 0.34 0.66 0.00 0.00 0.00 179.25 180.17 1zye h SER 59 N 0.61 0.66 -1.00 0.00 4.64 -1.84 0.42 113.55 117.04 1zye h SER 59 Ca 0.43 -0.03 0.12 0.00 -0.47 0.00 0.00 61.79 61.84 1zye h SER 59 Cb 0.58 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 62.42 1zye h SER 59 CO -0.34 0.51 0.63 -0.33 -0.87 0.00 0.00 176.83 176.42 1zye h GLU 60 N 0.77 0.95 -0.04 4.77 5.08 -1.43 -1.09 114.58 123.61 1zye h GLU 60 Ca 0.20 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1zye h GLU 60 Cb -0.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1zye h GLU 60 CO -0.04 0.63 -0.24 0.74 -1.00 0.00 0.00 179.01 179.11 1zye h PHE 61 N 0.98 0.31 -0.85 4.33 -1.00 -0.89 -3.17 116.94 116.65 1zye h PHE 61 Ca 0.50 -0.14 0.20 0.00 2.81 0.00 0.00 57.97 61.33 1zye h PHE 61 Cb 0.50 -0.05 -0.12 0.00 3.61 0.00 0.00 35.95 39.89 1zye h PHE 61 CO -0.01 0.88 0.34 0.45 -1.61 0.00 0.00 178.31 178.36 1zye h HIS 62 N -0.34 0.56 -0.43 -0.55 3.86 -1.09 -1.25 115.15 115.91 1zye h HIS 62 Ca -0.02 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1zye h HIS 62 Cb 0.91 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 1zye h HIS 62 CO 0.15 -0.04 0.16 -0.44 0.86 0.00 0.00 177.93 178.62 1zye h ASP 63 N 0.39 0.60 -0.20 2.45 3.45 -1.22 -1.56 116.42 120.33 1zye h ASP 63 Ca 0.51 -0.18 -0.08 0.00 0.43 0.00 0.00 57.03 57.72 1zye h ASP 63 Cb 0.93 -0.15 -0.05 0.00 -0.56 0.00 0.00 39.33 39.50 1zye h ASP 63 CO -0.51 0.61 0.10 1.33 -1.57 0.00 0.00 179.24 179.20 1zye n VAL 64 N -4.61 1.23 -3.46 -1.35 0.24 -0.57 -4.87 118.33 104.94 1zye n VAL 64 Ca 0.00 -0.40 -0.21 0.00 -2.04 0.00 0.00 64.34 61.70 1zye n VAL 64 Cb 0.16 -0.75 0.07 0.00 -1.47 0.00 0.00 33.84 31.85 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 0.13 -5.53 -4.01 -1.34 5.15 -0.59 -4.91 115.26 104.16 1zye n ASN 65 Ca 0.11 -0.49 -0.23 0.00 -0.60 0.00 0.00 54.58 53.37 1zye n ASN 65 Cb 0.67 -4.55 -0.16 0.00 -0.53 0.00 0.00 39.78 35.21 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 0.58 3.55 -0.10 0.00 0.41 0.23 -2.77 118.70 120.61 1zye s GLU 67 Ca -0.12 -0.19 0.01 0.00 -0.41 0.00 0.00 54.97 54.26 1zye s GLU 67 Cb -0.14 -2.69 0.02 0.00 -1.78 0.00 0.00 34.13 29.54 1zye s GLU 67 CO 0.03 0.22 -0.11 0.08 -0.49 0.00 0.00 175.26 174.99 1zye s VAL 68 N -2.13 1.19 -0.08 2.63 1.01 -1.26 -1.13 120.40 120.63 1zye s VAL 68 Ca 0.41 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1zye s VAL 68 Cb -0.10 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1zye s VAL 68 CO 0.32 0.38 -0.09 0.54 0.00 0.00 0.00 175.10 176.26 1zye s VAL 69 N 1.21 0.96 0.09 2.92 0.11 -0.80 -3.31 120.40 121.58 1zye s VAL 69 Ca -0.04 -0.32 -0.09 0.00 -2.93 0.00 0.00 61.98 58.60 1zye s VAL 69 Cb -0.14 -0.94 -0.06 0.00 -1.53 0.00 0.00 36.38 33.71 1zye s VAL 69 CO -0.03 0.33 0.40 0.00 -3.33 0.00 0.00 175.10 172.47 1zye s ALA 70 N 1.15 3.73 -0.02 1.54 0.00 -0.44 -2.01 121.76 125.70 1zye s ALA 70 Ca -0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.45 1zye s ALA 70 Cb -0.14 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.72 1zye s ALA 70 CO -0.02 0.57 0.14 0.54 0.00 0.00 0.00 175.76 176.99 1zye s VAL 71 N -1.43 0.05 0.27 0.00 0.11 0.10 0.44 120.40 119.94 1zye s VAL 71 Ca 0.34 -0.38 -0.21 0.00 -2.93 0.00 0.00 61.98 58.81 1zye s VAL 71 Cb -0.14 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1zye s VAL 71 CO 0.19 -0.21 0.69 -0.94 -3.33 0.00 0.00 175.10 171.50 1zye s SER 72 N -0.70 -0.28 0.00 3.54 1.04 -1.18 -1.17 113.70 114.94 1zye s SER 72 Ca -0.08 -0.57 0.17 0.00 0.48 0.00 0.00 55.95 55.94 1zye s SER 72 Cb -0.05 0.71 1.00 0.00 0.10 0.00 0.00 66.02 67.78 1zye s SER 72 CO 0.01 -1.30 1.59 1.33 0.98 0.00 0.00 173.24 175.85 1zye n VAL 73 N -0.45 0.00 -1.74 5.02 0.24 -1.25 -1.16 118.33 119.00 1zye n VAL 73 Ca -0.05 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.94 1zye n VAL 73 Cb 0.60 -0.32 0.04 0.00 -1.47 0.00 0.00 33.84 32.69 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 -1.60 5.49 0.52 -1.34 1.01 -1.26 -3.95 116.67 115.54 1zye s ASP 74 Ca 0.25 1.37 -0.20 0.00 0.71 0.00 0.00 52.55 54.69 1zye s ASP 74 Cb 0.12 -2.26 -0.07 0.00 1.01 0.00 0.00 42.92 41.72 1zye s ASP 74 CO 0.19 -1.34 1.09 -0.94 0.21 0.00 0.00 175.17 174.39 1zye s SER 75 N -4.08 5.96 0.33 0.27 1.04 -1.26 -3.40 113.70 112.55 1zye s SER 75 Ca 0.58 2.08 0.23 0.00 0.48 0.00 0.00 55.95 59.32 1zye s SER 75 Cb -0.12 -2.57 1.19 0.00 0.10 0.00 0.00 66.02 64.62 1zye s SER 75 CO 0.54 -1.05 1.71 1.12 0.98 0.00 0.00 173.24 176.54 1zye h HIS 76 N 1.32 0.00 -0.21 5.02 2.07 -1.93 -1.23 115.15 120.20 1zye h HIS 76 Ca -0.50 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 56.83 1zye h HIS 76 Cb 1.25 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.23 1zye h HIS 76 CO 0.53 0.00 -0.61 0.74 -3.07 0.00 0.00 177.93 175.52 1zye h PHE 77 N 0.00 1.01 -0.14 6.12 0.04 -1.98 -2.24 116.94 119.75 1zye h PHE 77 Ca 0.00 -0.40 -0.05 0.00 2.80 0.00 0.00 57.97 60.32 1zye h PHE 77 Cb 0.09 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1zye h PHE 77 CO 0.00 1.22 -0.13 0.77 -0.60 0.00 0.00 178.31 179.57 1zye h SER 78 N 0.51 0.21 0.29 2.17 0.02 -1.60 -1.74 113.55 113.42 1zye h SER 78 Ca -0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1zye h SER 78 Cb 1.23 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1zye h SER 78 CO 0.13 0.37 -0.14 0.45 -1.14 0.00 0.00 176.83 176.49 1zye h HIS 79 N 0.21 -0.37 0.08 3.45 3.86 -1.30 -1.04 115.15 120.04 1zye h HIS 79 Ca 0.04 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1zye h HIS 79 Cb 0.36 0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.91 1zye h HIS 79 CO 0.01 -0.09 -0.29 1.25 0.86 0.00 0.00 177.93 179.67 1zye h LEU 80 N -0.61 -0.83 -0.92 2.43 5.85 -1.24 -0.57 115.31 119.42 1zye h LEU 80 Ca -0.04 0.10 0.24 0.00 0.84 0.00 0.00 57.88 59.02 1zye h LEU 80 Cb 0.44 0.32 -0.13 0.00 0.37 0.00 0.00 40.66 41.66 1zye h LEU 80 CO 0.07 -0.37 0.42 0.00 -0.34 0.00 0.00 178.44 178.22 1zye h ALA 81 N 0.25 1.53 -0.30 1.25 0.00 -1.23 0.25 119.26 121.01 1zye h ALA 81 Ca 0.04 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1zye h ALA 81 Cb 0.53 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1zye h ALA 81 CO -0.20 -0.37 -0.26 2.35 0.00 0.00 0.00 179.25 180.77 1zye h TRP 82 N 0.40 0.84 -0.83 0.00 7.01 -0.58 -2.32 115.95 120.47 1zye h TRP 82 Ca 0.59 -0.24 0.06 0.00 2.11 0.00 0.00 58.89 61.40 1zye h TRP 82 Cb 1.16 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.99 1zye h TRP 82 CO -0.12 0.99 0.54 0.82 -2.79 0.00 0.00 178.44 177.88 1zye h ILE 83 N 0.46 1.07 -0.01 2.65 2.04 0.51 -1.62 117.51 122.61 1zye h ILE 83 Ca 0.05 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1zye h ILE 83 Cb 0.83 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1zye h ILE 83 CO 0.07 0.17 0.00 0.59 0.00 0.00 0.00 178.15 178.98 1zye n ASN 84 N -4.48 0.13 -4.69 1.72 3.02 0.73 -2.38 115.26 109.31 1zye n ASN 84 Ca 0.12 -1.28 -0.38 0.00 -0.03 0.00 0.00 54.58 53.00 1zye n ASN 84 Cb 0.18 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.99 5.15 0.44 3.41 2.01 -0.65 -4.97 115.64 119.05 1zye s THR 85 Ca 0.36 0.92 -0.26 0.00 0.31 0.00 0.00 61.69 63.02 1zye s THR 85 Cb 0.17 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 1zye s THR 85 CO 0.28 0.25 1.44 -2.84 -0.69 0.00 0.00 174.62 173.05 1zye s PRO 86 N 1.19 3.73 0.27 4.92 0.02 -1.26 -1.90 135.00 141.96 1zye s PRO 86 Ca 0.24 2.44 -0.02 0.00 0.02 0.00 0.00 61.00 63.69 1zye s PRO 86 Cb -0.15 -2.69 0.44 0.00 0.02 0.00 0.00 34.50 32.11 1zye s PRO 86 CO 0.10 -0.79 1.87 0.00 -0.33 0.00 0.00 177.00 177.84 1zye h ARG 87 N 2.41 1.08 -0.75 5.54 3.08 -1.85 -1.79 114.38 122.09 1zye h ARG 87 Ca -0.51 -0.06 0.16 0.00 0.07 0.00 0.00 59.98 59.63 1zye h ARG 87 Cb 1.26 -0.24 -0.14 0.00 0.08 0.00 0.00 29.97 30.93 1zye h ARG 87 CO 0.61 0.71 -0.16 1.17 -1.07 0.00 0.00 179.97 181.23 1zye n LYS 88 N -4.55 -0.07 -1.37 0.04 4.81 -1.26 -0.90 118.16 114.86 1zye n LYS 88 Ca 0.16 1.16 -0.28 0.00 -0.87 0.00 0.00 58.31 58.48 1zye n LYS 88 Cb 0.23 -1.75 0.10 0.00 0.02 0.00 0.00 35.03 33.63 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 -5.20 5.98 0.00 3.14 3.02 -0.70 -4.89 115.26 116.61 1zye n ASN 89 Ca 0.13 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 1zye n ASN 89 Cb 0.40 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.95 0.87 0.00 7.41 0.00 -0.08 -4.92 105.19 107.52 1zye n GLY 90 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.09 -0.80 0.09 -0.02 0.00 -1.02 -4.92 105.19 96.44 1zye n GLY 91 Ca 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 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 1.34 0.00 0.99 4.77 -0.98 -4.32 117.00 118.80 1zye n LEU 92 Ca 0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1zye n LEU 92 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1zye n LEU 92 CO 0.00 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1zye n GLY 93 N 2.21 -0.63 3.62 -0.72 0.00 -0.80 -4.73 105.19 104.14 1zye n GLY 93 Ca -0.32 -1.12 -0.47 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.18 1.70 -5.00 1.61 -0.00 -1.26 -4.65 115.22 107.44 1zye n HIS 94 Ca 0.00 0.56 -0.28 0.00 -0.00 0.00 0.00 57.72 58.00 1zye n HIS 94 Cb 0.00 -2.36 -0.16 0.00 -0.00 0.00 0.00 29.99 27.46 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 -0.41 2.05 0.00 1.57 0.00 -1.26 -5.02 119.30 116.23 1zye s MET 95 Ca 0.71 -0.72 0.21 0.00 0.00 0.00 0.00 55.69 55.88 1zye s MET 95 Cb -0.75 -1.77 -0.02 0.00 0.00 0.00 0.00 34.83 32.28 1zye s MET 95 CO 0.51 0.31 1.02 0.09 0.00 0.00 0.00 175.02 176.95 1zye n ASN 96 N 3.04 1.89 -4.64 1.11 3.02 -1.26 -4.95 115.26 113.47 1zye n ASN 96 Ca -0.18 -1.44 -0.26 0.00 -0.03 0.00 0.00 54.58 52.67 1zye n ASN 96 Cb 0.53 0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 40.12 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 -2.36 3.54 0.35 2.41 -4.36 -1.26 -5.02 121.20 114.50 1zye s ILE 97 Ca 0.17 -1.59 -0.26 0.00 -0.26 0.00 0.00 60.65 58.70 1zye s ILE 97 Cb 0.17 -2.80 -0.09 0.00 1.25 0.00 0.00 42.46 40.98 1zye s ILE 97 CO 0.54 -0.17 1.06 0.00 0.24 0.00 0.00 174.94 176.61 1zye s ALA 98 N -1.86 3.22 -0.37 2.27 0.00 -1.21 -4.90 121.76 118.90 1zye s ALA 98 Ca 0.28 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 1zye s ALA 98 Cb -0.08 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.84 1zye s ALA 98 CO 0.18 -0.15 0.14 -0.51 0.00 0.00 0.00 175.76 175.42 1zye s LEU 99 N -2.12 4.78 0.00 0.00 1.02 -1.07 -1.33 118.68 119.97 1zye s LEU 99 Ca 0.52 -1.69 -0.21 0.00 0.02 0.00 0.00 54.13 52.77 1zye s LEU 99 Cb -0.26 -1.81 -0.05 0.00 0.02 0.00 0.00 46.19 44.09 1zye s LEU 99 CO 0.32 -0.44 0.61 -0.22 0.02 0.00 0.00 176.35 176.64 1zye s LEU 100 N 1.22 4.42 -0.13 1.79 2.96 0.17 -1.07 118.68 128.05 1zye s LEU 100 Ca 0.03 1.19 -0.22 0.00 -0.22 0.00 0.00 54.13 54.92 1zye s LEU 100 Cb -0.22 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 1zye s LEU 100 CO -0.02 0.10 0.64 -0.55 -1.32 0.00 0.00 176.35 175.20 1zye s SER 101 N -0.22 6.82 -0.71 3.68 0.15 -0.33 -3.11 113.70 119.98 1zye s SER 101 Ca 0.32 0.99 0.04 0.00 0.70 0.00 0.00 55.95 57.99 1zye s SER 101 Cb -0.18 -2.37 0.29 0.00 -1.71 0.00 0.00 66.02 62.05 1zye s SER 101 CO 0.18 -0.16 1.00 -0.67 1.20 0.00 0.00 173.24 174.78 1zye n ASP 102 N 4.28 4.64 -0.16 5.45 2.03 -0.30 -4.43 116.55 128.06 1zye n ASP 102 Ca -0.02 -3.54 -0.07 0.00 0.52 0.00 0.00 54.79 51.67 1zye n ASP 102 Cb 0.51 -0.75 0.02 0.00 -0.72 0.00 0.00 41.12 40.18 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 3.94 0.52 0.00 -2.67 6.46 -1.71 -1.85 115.31 120.00 1zye h LEU 103 Ca 0.21 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1zye h LEU 103 Cb 0.57 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1zye h LEU 103 CO 0.92 0.38 0.00 0.35 -0.62 0.00 0.00 178.44 179.47 1zye n THR 104 N -4.77 0.00 -0.67 1.05 -2.24 -1.26 -4.86 114.28 101.53 1zye n THR 104 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1zye n THR 104 Cb 0.03 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1zye n THR 104 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1zye n LYS 105 N -0.91 -1.30 0.07 -0.78 5.02 -0.70 -4.82 118.16 114.74 1zye n LYS 105 Ca 0.13 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.60 1zye n LYS 105 Cb 0.06 -4.28 0.03 0.00 -0.02 0.00 0.00 35.03 30.82 1zye n LYS 105 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1zye h GLN 106 N 0.00 0.31 0.19 1.97 1.08 -1.89 -2.45 115.11 114.32 1zye h GLN 106 Ca 0.00 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1zye h GLN 106 Cb 0.53 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1zye h GLN 106 CO 0.00 0.93 -0.09 0.82 -0.95 0.00 0.00 178.83 179.54 1zye h ILE 107 N 0.20 0.88 -0.24 2.54 2.04 -1.90 -1.21 117.51 119.83 1zye h ILE 107 Ca -0.03 -0.91 0.07 0.00 1.00 0.00 0.00 64.86 64.98 1zye h ILE 107 Cb 1.35 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1zye h ILE 107 CO 0.12 0.19 0.20 0.28 0.00 0.00 0.00 178.15 178.94 1zye h SER 108 N -0.75 0.00 -0.07 1.72 0.02 -1.93 -0.15 113.55 112.39 1zye h SER 108 Ca -0.03 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 1zye h SER 108 Cb 0.51 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.05 1zye h SER 108 CO 0.04 0.00 -0.45 -0.09 -1.14 0.00 0.00 176.83 175.19 1zye h ARG 109 N 0.00 0.43 -0.03 3.45 2.43 -1.36 -0.55 114.38 118.75 1zye h ARG 109 Ca 0.11 -0.37 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 1zye h ARG 109 Cb 0.50 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1zye h ARG 109 CO -0.00 1.01 -0.26 -0.44 -1.51 0.00 0.00 179.97 178.77 1zye h ASP 110 N -0.04 0.06 -0.25 -3.80 3.32 0.21 -0.70 116.42 115.22 1zye h ASP 110 Ca -0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1zye h ASP 110 Cb 1.12 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1zye h ASP 110 CO 0.09 0.32 0.00 -1.22 -1.72 0.00 0.00 179.24 176.71 1zye n TYR 111 N -4.21 0.32 -3.60 4.55 4.02 -0.64 -4.51 117.16 113.10 1zye n TYR 111 Ca -0.02 -0.16 -0.20 0.00 -0.01 0.00 0.00 57.90 57.51 1zye n TYR 111 Cb 0.33 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.71 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 1.19 -0.34 0.00 2.72 0.00 -0.27 -4.88 105.19 103.61 1zye n GLY 112 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.28 0.16 -2.84 1.61 0.24 -0.27 -5.04 118.33 107.91 1zye n VAL 113 Ca -0.26 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.34 61.20 1zye n VAL 113 Cb 0.66 1.17 -0.04 0.00 -1.47 0.00 0.00 33.84 34.16 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 -0.16 4.03 -0.44 1.34 2.96 -0.84 -0.08 118.68 125.50 1zye s LEU 114 Ca 0.00 0.23 -0.28 0.00 -0.22 0.00 0.00 54.13 53.86 1zye s LEU 114 Cb 0.00 -3.18 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 1zye s LEU 114 CO 0.00 -0.97 1.64 -0.76 -1.32 0.00 0.00 176.35 174.94 1zye s LEU 115 N 3.61 3.48 0.41 -0.68 1.02 -0.65 -4.83 118.68 121.03 1zye s LEU 115 Ca 0.36 0.85 0.11 0.00 0.02 0.00 0.00 54.13 55.48 1zye s LEU 115 Cb -0.11 -3.29 0.87 0.00 0.02 0.00 0.00 46.19 43.68 1zye s LEU 115 CO 0.24 -1.74 1.95 -0.33 0.02 0.00 0.00 176.35 176.48 1zye h GLU 116 N 12.34 0.16 0.00 1.70 4.39 -1.94 -0.41 114.58 130.82 1zye h GLU 116 Ca -0.30 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1zye h GLU 116 Cb 1.14 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1zye h GLU 116 CO 1.10 0.30 0.00 0.41 -1.16 0.00 0.00 179.01 179.66 1zye n GLY 117 N -0.96 -3.26 0.15 -3.84 0.00 -1.26 -3.55 105.19 92.46 1zye n GLY 117 Ca -0.01 0.39 0.01 0.00 0.00 0.00 0.00 46.02 46.41 1zye n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zye h PRO 118 N 0.00 0.00 -0.26 1.61 0.13 -1.99 -3.48 132.00 128.01 1zye h PRO 118 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1zye h PRO 118 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1zye h PRO 118 CO 0.00 0.55 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1zye n GLY 119 N 0.49 1.10 3.11 1.56 0.00 -0.18 -5.10 105.19 106.17 1zye n GLY 119 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.26 2.16 0.37 0.99 2.34 -1.15 -4.93 118.68 118.20 1zye s LEU 120 Ca 0.00 -0.82 -0.19 0.00 0.06 0.00 0.00 54.13 53.18 1zye s LEU 120 Cb 0.00 0.41 -0.10 0.00 -0.56 0.00 0.00 46.19 45.94 1zye s LEU 120 CO 0.00 -0.58 0.86 0.00 -1.06 0.00 0.00 176.35 175.56 1zye s ALA 121 N -3.49 3.18 1.12 1.48 0.00 -1.26 -1.64 121.76 121.15 1zye s ALA 121 Ca 0.03 0.27 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 1zye s ALA 121 Cb 0.04 -3.00 0.25 0.00 0.00 0.00 0.00 23.12 20.42 1zye s ALA 121 CO -0.09 0.22 1.15 -0.51 0.00 0.00 0.00 175.76 176.53 1zye s LEU 122 N -2.90 1.22 -1.32 0.00 1.43 0.89 -3.45 118.68 114.55 1zye s LEU 122 Ca 0.57 0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 54.21 1zye s LEU 122 Cb -0.11 -2.52 0.14 0.00 0.03 0.00 0.00 46.19 43.73 1zye s LEU 122 CO 0.16 -3.68 1.99 0.54 0.23 0.00 0.00 176.35 175.59 1zye n ARG 123 N -4.47 3.55 -3.24 1.70 1.74 -0.92 -4.11 116.66 110.91 1zye n ARG 123 Ca 0.12 -3.33 -0.30 0.00 -0.77 0.00 0.00 57.85 53.57 1zye n ARG 123 Cb 0.59 -2.97 -0.04 0.00 -1.02 0.00 0.00 32.46 29.03 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 1.25 1.98 -0.04 -0.13 0.00 -1.25 -1.73 107.32 107.41 1zye s GLY 124 Ca 0.42 -0.40 -0.02 0.00 0.00 0.00 0.00 44.72 44.72 1zye s GLY 124 CO -0.02 -0.26 0.09 -2.27 0.00 0.00 0.00 173.10 170.64 1zye s LEU 125 N -3.44 1.21 -0.04 0.66 0.20 -0.31 -0.15 118.68 116.81 1zye s LEU 125 Ca 0.47 0.19 0.05 0.00 0.69 0.00 0.00 54.13 55.52 1zye s LEU 125 Cb -0.11 0.23 -0.01 0.00 -0.43 0.00 0.00 46.19 45.88 1zye s LEU 125 CO 0.28 -0.09 -0.18 -0.36 -0.29 0.00 0.00 176.35 175.70 1zye s PHE 126 N 0.67 1.80 -0.33 5.38 0.08 0.17 -1.00 117.98 124.76 1zye s PHE 126 Ca -0.05 -0.50 -0.08 0.00 0.12 0.00 0.00 56.93 56.42 1zye s PHE 126 Cb -0.07 -1.20 0.02 0.00 -0.57 0.00 0.00 43.02 41.20 1zye s PHE 126 CO -0.03 -0.16 0.12 0.42 -0.10 0.00 0.00 175.22 175.48 1zye s ILE 127 N -0.04 4.10 -0.15 0.64 1.01 -0.15 -1.11 121.20 125.51 1zye s ILE 127 Ca -0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1zye s ILE 127 Cb -0.11 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1zye s ILE 127 CO 0.02 -0.06 -0.06 -0.63 0.00 0.00 0.00 174.94 174.20 1zye s ILE 128 N 1.49 3.65 0.72 2.92 1.01 0.11 -0.29 121.20 130.81 1zye s ILE 128 Ca 0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 1zye s ILE 128 Cb -0.18 -2.58 0.05 0.00 0.01 0.00 0.00 42.46 39.76 1zye s ILE 128 CO 0.04 0.50 1.06 1.51 0.00 0.00 0.00 174.94 178.05 1zye s ASP 129 N 0.33 4.92 0.50 3.58 1.47 0.22 -0.41 116.67 127.27 1zye s ASP 129 Ca -0.06 0.69 0.16 0.00 1.18 0.00 0.00 52.55 54.52 1zye s ASP 129 Cb -0.15 -1.36 0.88 0.00 -0.34 0.00 0.00 42.92 41.95 1zye s ASP 129 CO 0.04 -1.58 1.43 1.55 0.68 0.00 0.00 175.17 177.29 1zye h PRO 130 N -0.69 0.00 -0.03 2.11 0.13 -1.81 0.30 132.00 132.01 1zye h PRO 130 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1zye h PRO 130 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1zye h PRO 130 CO 0.63 0.00 -0.05 0.09 -0.23 0.00 0.00 178.00 178.44 1zye n ASN 131 N -2.40 2.77 0.00 1.44 4.13 -1.26 -1.03 115.26 118.91 1zye n ASN 131 Ca -0.01 -1.90 0.00 0.00 1.68 0.00 0.00 54.58 54.35 1zye n ASN 131 Cb 0.49 0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 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 1.34 0.88 3.71 7.41 0.00 0.11 -5.01 105.19 113.63 1zye n GLY 132 Ca 0.14 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 5.24 -0.12 1.61 1.01 -1.24 -0.95 120.40 123.94 1zye s VAL 133 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1zye s VAL 133 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1zye s VAL 133 CO 0.00 0.45 1.14 0.27 0.00 0.00 0.00 175.10 176.96 1zye s ILE 134 N 0.33 4.46 -0.31 2.22 -5.25 -0.54 -0.61 121.20 121.50 1zye s ILE 134 Ca 0.07 1.76 0.16 0.00 -0.99 0.00 0.00 60.65 61.64 1zye s ILE 134 Cb -0.11 -4.13 -0.21 0.00 2.95 0.00 0.00 42.46 40.95 1zye s ILE 134 CO -0.01 -0.05 0.47 0.29 -1.79 0.00 0.00 174.94 173.84 1zye n LYS 135 N 5.60 1.09 -3.60 0.37 4.76 0.60 -2.63 118.16 124.36 1zye n LYS 135 Ca 0.11 -0.08 -0.15 0.00 -2.87 0.00 0.00 58.31 55.31 1zye n LYS 135 Cb 0.46 -1.31 -0.07 0.00 -1.84 0.00 0.00 35.03 32.28 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 -2.82 -0.73 -0.01 2.13 5.04 -1.21 -4.98 115.29 112.71 1zye s HIS 136 Ca -0.01 1.64 0.00 0.00 -1.54 0.00 0.00 55.06 55.15 1zye s HIS 136 Cb 0.11 0.31 0.01 0.00 0.04 0.00 0.00 32.58 33.04 1zye s HIS 136 CO 0.64 -0.45 0.01 -0.48 -2.34 0.00 0.00 174.74 172.12 1zye s LEU 137 N -0.13 1.77 0.06 8.88 0.05 -1.26 -0.97 118.68 127.08 1zye s LEU 137 Ca -0.04 0.01 0.05 0.00 0.05 0.00 0.00 54.13 54.20 1zye s LEU 137 Cb -0.03 -0.03 -0.04 0.00 -2.05 0.00 0.00 46.19 44.04 1zye s LEU 137 CO 0.04 -0.03 -0.04 -0.44 -0.55 0.00 0.00 176.35 175.32 1zye s SER 138 N 0.26 4.76 -0.09 1.48 0.01 -0.17 -4.95 113.70 115.00 1zye s SER 138 Ca -0.02 -0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.00 1zye s SER 138 Cb -0.03 -1.09 0.05 0.00 0.21 0.00 0.00 66.02 65.16 1zye s SER 138 CO -0.01 0.22 0.14 -0.69 0.41 0.00 0.00 173.24 173.31 1zye s VAL 139 N -1.17 -0.22 0.02 3.43 1.01 -1.26 -1.16 120.40 121.04 1zye s VAL 139 Ca 0.21 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1zye s VAL 139 Cb -0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1zye s VAL 139 CO 0.13 0.09 0.04 0.20 0.00 0.00 0.00 175.10 175.56 1zye s ASN 140 N 2.26 5.35 0.87 3.32 0.01 -0.70 -4.97 114.94 121.08 1zye s ASN 140 Ca 0.04 0.03 -0.13 0.00 -0.71 0.00 0.00 52.86 52.09 1zye s ASN 140 Cb -0.13 -1.44 0.06 0.00 0.41 0.00 0.00 41.25 40.16 1zye s ASN 140 CO -0.06 0.25 0.78 -0.67 -1.51 0.00 0.00 177.10 175.90 1zye n ASP 141 N 1.12 -0.66 -0.28 -1.22 -0.08 -1.26 -2.16 116.55 112.00 1zye n ASP 141 Ca -0.13 0.45 0.10 0.00 -1.51 0.00 0.00 54.79 53.71 1zye n ASP 141 Cb 0.52 -1.34 0.25 0.00 2.34 0.00 0.00 41.12 42.89 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 -1.30 0.06 -0.58 -2.67 3.38 -1.96 -2.93 115.31 109.31 1zye h LEU 142 Ca -0.44 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1zye h LEU 142 Cb 1.29 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1zye h LEU 142 CO 0.40 -0.08 0.00 -0.81 0.09 0.00 0.00 178.44 178.04 1zye n PRO 143 N -5.17 1.37 -4.13 1.13 -0.04 -1.26 -4.89 135.00 122.02 1zye n PRO 143 Ca 0.19 -0.57 -0.28 0.00 -0.04 0.00 0.00 63.50 62.80 1zye n PRO 143 Cb 0.59 -1.23 -0.17 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.83 1.31 0.54 0.52 1.01 -1.11 -5.06 120.40 115.79 1zye s VAL 144 Ca 0.20 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1zye s VAL 144 Cb 0.10 -1.25 -0.07 0.00 0.00 0.00 0.00 36.38 35.17 1zye s VAL 144 CO 0.15 0.41 1.00 -0.83 0.00 0.00 0.00 175.10 175.83 1zye s GLY 145 N 1.38 2.01 0.54 4.51 0.00 -1.26 -4.82 107.32 109.67 1zye s GLY 145 Ca 0.01 0.17 -0.13 0.00 0.00 0.00 0.00 44.72 44.76 1zye s GLY 145 CO -0.06 0.45 0.96 0.50 0.00 0.00 0.00 173.10 174.95 1zye s ARG 146 N -4.25 3.76 -0.33 2.90 0.52 -1.26 -5.06 118.95 115.24 1zye s ARG 146 Ca 0.59 0.76 -0.19 0.00 -0.52 0.00 0.00 55.73 56.37 1zye s ARG 146 Cb -0.11 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 1zye s ARG 146 CO 0.36 -0.35 0.57 0.45 0.02 0.00 0.00 175.30 176.34 1zye s SER 147 N -3.58 6.39 0.33 0.23 0.15 -1.26 -4.93 113.70 111.03 1zye s SER 147 Ca 0.56 0.17 0.02 0.00 0.70 0.00 0.00 55.95 57.40 1zye s SER 147 Cb -0.10 -2.30 0.59 0.00 -1.71 0.00 0.00 66.02 62.50 1zye s SER 147 CO 0.41 -0.48 1.97 0.58 1.20 0.00 0.00 173.24 176.91 1zye h VAL 148 N 5.59 1.12 -0.61 4.45 2.07 -1.94 -2.25 116.25 124.68 1zye h VAL 148 Ca -0.27 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 1zye h VAL 148 Cb 1.12 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1zye h VAL 148 CO 0.79 0.17 0.16 -0.33 0.02 0.00 0.00 177.57 178.38 1zye h GLU 149 N 0.94 0.97 -0.52 1.57 4.39 -1.97 -1.98 114.58 117.97 1zye h GLU 149 Ca 0.30 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1zye h GLU 149 Cb 0.04 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1zye h GLU 149 CO -0.09 0.88 0.08 1.49 -1.16 0.00 0.00 179.01 180.21 1zye h GLU 150 N 0.88 0.87 -0.94 2.33 4.57 -1.86 -1.91 114.58 118.53 1zye h GLU 150 Ca 0.19 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1zye h GLU 150 Cb 0.34 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.78 1zye h GLU 150 CO -0.00 0.86 0.56 1.15 -1.18 0.00 0.00 179.01 180.40 1zye h THR 151 N 0.76 1.26 -0.60 0.32 2.02 -1.16 -1.40 112.91 114.10 1zye h THR 151 Ca 0.16 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 1zye h THR 151 Cb 0.41 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1zye h THR 151 CO 0.01 0.28 0.18 0.25 0.37 0.00 0.00 175.52 176.61 1zye h LEU 152 N 1.30 0.87 -1.18 2.58 5.85 -1.12 -1.57 115.31 122.05 1zye h LEU 152 Ca 0.34 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1zye h LEU 152 Cb -0.04 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 1zye h LEU 152 CO -0.06 0.85 0.56 -0.09 -0.34 0.00 0.00 178.44 179.36 1zye h ARG 153 N 0.85 1.04 -0.26 1.25 2.43 -0.83 -1.45 114.38 117.42 1zye h ARG 153 Ca 0.19 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 1zye h ARG 153 Cb 0.29 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1zye h ARG 153 CO -0.01 0.69 -0.39 -0.07 -1.51 0.00 0.00 179.97 178.68 1zye h LEU 154 N 1.07 0.80 -0.13 3.80 3.38 -0.93 -0.39 115.31 122.90 1zye h LEU 154 Ca 0.34 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1zye h LEU 154 Cb 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1zye h LEU 154 CO -0.10 1.16 0.08 0.58 0.09 0.00 0.00 178.44 180.25 1zye h VAL 155 N 0.46 1.06 0.11 1.22 2.07 -0.82 -2.16 116.25 118.19 1zye h VAL 155 Ca 0.02 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1zye h VAL 155 Cb 0.99 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1zye h VAL 155 CO 0.09 0.05 -0.25 0.11 0.02 0.00 0.00 177.57 177.59 1zye h LYS 156 N 0.16 -0.44 -0.90 1.57 1.57 -1.27 -2.75 116.57 114.50 1zye h LYS 156 Ca 0.05 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.09 1zye h LYS 156 Cb 0.01 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.29 1zye h LYS 156 CO -0.01 -0.29 0.36 0.00 -0.57 0.00 0.00 179.45 178.94 1zye h ALA 157 N 0.29 1.44 0.00 3.86 0.00 -0.80 0.13 119.26 124.18 1zye h ALA 157 Ca 0.03 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1zye h ALA 157 Cb 0.48 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1zye h ALA 157 CO -0.15 -0.41 -0.52 0.74 0.00 0.00 0.00 179.25 178.91 1zye h PHE 158 N 0.33 0.00 -0.06 0.00 0.04 -1.14 -2.14 116.94 113.97 1zye h PHE 158 Ca 0.58 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.30 1zye h PHE 158 Cb 1.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1zye h PHE 158 CO -0.16 0.52 -0.16 1.96 -0.60 0.00 0.00 178.31 179.87 1zye h GLN 159 N 0.00 0.21 -0.47 1.51 4.20 -0.52 -2.75 115.11 117.29 1zye h GLN 159 Ca -0.01 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.60 1zye h GLN 159 Cb 0.97 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.71 1zye h GLN 159 CO 0.07 0.76 -0.33 0.35 -0.67 0.00 0.00 178.83 179.01 1zye h PHE 160 N -0.30 -1.04 0.00 2.96 3.04 -1.14 -1.24 116.94 119.22 1zye h PHE 160 Ca -0.00 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1zye h PHE 160 Cb 0.77 0.52 0.00 0.00 2.56 0.00 0.00 35.95 39.79 1zye h PHE 160 CO 0.12 -0.23 0.00 1.55 -2.02 0.00 0.00 178.31 177.74 1zye n VAL 161 N -4.25 1.58 -0.31 1.41 3.14 -0.81 -0.80 118.33 118.28 1zye n VAL 161 Ca 0.00 0.44 0.11 0.00 -2.96 0.00 0.00 64.34 61.94 1zye n VAL 161 Cb 0.16 -1.37 0.30 0.00 -1.06 0.00 0.00 33.84 31.87 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 -1.61 2.73 0.00 1.45 2.13 -0.48 -5.09 120.64 119.77 1zye n GLU 162 Ca 0.01 -2.59 0.00 0.00 0.66 0.00 0.00 57.16 55.24 1zye n GLU 162 Cb 0.06 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.23 1zye n GLU 162 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72