#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 2.58 -1.12 0.55 0.00 -1.26 -4.98 121.76 117.53 1zye s ALA 3 Ca 0.00 -1.49 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 1zye s ALA 3 Cb 0.00 0.89 0.13 0.00 0.00 0.00 0.00 23.12 24.15 1zye s ALA 3 CO 0.00 -0.40 1.39 0.08 0.00 0.00 0.00 175.76 176.83 1zye s VAL 4 N -3.32 4.70 0.00 0.00 1.01 -1.26 -2.97 120.40 118.56 1zye s VAL 4 Ca 0.29 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1zye s VAL 4 Cb 0.04 -4.93 0.00 0.00 0.00 0.00 0.00 36.38 31.49 1zye s VAL 4 CO 0.16 -1.68 0.00 0.35 0.00 0.00 0.00 175.10 173.94 1zye n THR 5 N 5.35 0.00 -2.92 3.92 -2.24 -1.06 -4.96 114.28 112.37 1zye n THR 5 Ca 0.34 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.91 1zye n THR 5 Cb 0.46 0.00 0.02 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 2.86 0.31 -0.78 -0.21 -1.16 -4.78 119.66 115.90 1zye s GLN 6 Ca 0.00 -0.72 -0.28 0.00 0.02 0.00 0.00 55.36 54.37 1zye s GLN 6 Cb 0.00 -2.58 -0.09 0.00 1.00 0.00 0.00 33.01 31.33 1zye s GLN 6 CO 0.00 -0.39 1.12 -1.01 -2.12 0.00 0.00 175.29 172.89 1zye s HIS 7 N -2.57 3.45 0.29 0.91 3.76 -1.26 -1.59 115.29 118.29 1zye s HIS 7 Ca 0.52 1.66 -0.29 0.00 -0.15 0.00 0.00 55.06 56.79 1zye s HIS 7 Cb -0.10 -3.31 -0.10 0.00 1.11 0.00 0.00 32.58 30.18 1zye s HIS 7 CO 0.37 -0.74 1.36 0.00 -0.85 0.00 0.00 174.74 174.88 1zye s ALA 8 N -1.24 3.55 0.68 -1.40 0.00 0.43 -4.82 121.76 118.97 1zye s ALA 8 Ca 0.47 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.55 1zye s ALA 8 Cb -0.31 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 1zye s ALA 8 CO 0.40 -0.69 0.76 -2.30 0.00 0.00 0.00 175.76 173.94 1zye n PRO 9 N 1.55 0.50 -1.50 0.00 -0.02 -1.26 -4.94 135.00 129.33 1zye n PRO 9 Ca 0.03 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 1zye n PRO 9 Cb 0.41 -2.01 0.08 0.00 -0.02 0.00 0.00 33.50 31.96 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 -1.78 2.27 -0.23 6.00 5.04 -1.26 -4.95 117.35 122.44 1zye s TYR 10 Ca 0.71 1.59 -0.16 0.00 -2.44 0.00 0.00 57.07 56.77 1zye s TYR 10 Cb -0.37 -3.32 0.07 0.00 0.35 0.00 0.00 41.96 38.69 1zye s TYR 10 CO 0.53 -2.21 0.58 -0.59 -1.34 0.00 0.00 175.55 172.52 1zye s PHE 11 N -2.22 -0.80 0.15 4.97 -0.12 -1.26 -4.98 117.98 113.72 1zye s PHE 11 Ca 0.70 1.72 0.07 0.00 -0.05 0.00 0.00 56.93 59.37 1zye s PHE 11 Cb -0.25 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1zye s PHE 11 CO 0.45 -0.40 -0.16 0.21 -0.05 0.00 0.00 175.22 175.27 1zye s LYS 12 N 1.11 1.16 0.00 1.99 2.20 -1.26 -1.49 119.74 123.45 1zye s LYS 12 Ca -0.06 -1.35 0.00 0.00 -0.36 0.00 0.00 55.97 54.20 1zye s LYS 12 Cb -0.06 -1.11 0.00 0.00 -1.51 0.00 0.00 37.83 35.15 1zye s LYS 12 CO -0.11 0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.51 1zye n GLY 13 N 0.33 1.85 3.71 5.54 0.00 -0.81 -4.99 105.19 110.82 1zye n GLY 13 Ca -0.14 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 4.57 0.31 2.61 2.01 -1.26 -1.82 115.64 120.05 1zye s THR 14 Ca 0.00 1.84 0.11 0.00 0.31 0.00 0.00 61.69 63.95 1zye s THR 14 Cb 0.00 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 1zye s THR 14 CO 0.00 0.12 -0.14 0.00 -0.69 0.00 0.00 174.62 173.91 1zye s ALA 15 N 1.23 2.88 -0.70 7.40 0.00 -0.37 -0.32 121.76 131.89 1zye s ALA 15 Ca 0.54 -1.95 -0.18 0.00 0.00 0.00 0.00 51.96 50.37 1zye s ALA 15 Cb -0.23 -0.22 0.13 0.00 0.00 0.00 0.00 23.12 22.80 1zye s ALA 15 CO 0.27 0.19 0.80 0.08 0.00 0.00 0.00 175.76 177.10 1zye s VAL 16 N -2.54 4.93 -0.03 0.00 1.01 0.07 -1.10 120.40 122.74 1zye s VAL 16 Ca 0.31 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 1zye s VAL 16 Cb -0.02 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 1zye s VAL 16 CO 0.16 -1.19 0.34 0.58 0.00 0.00 0.00 175.10 174.99 1zye h VAL 17 N 5.71 0.00 0.00 2.92 2.07 -1.63 -2.37 116.25 122.95 1zye h VAL 17 Ca -0.14 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1zye h VAL 17 Cb 1.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1zye h VAL 17 CO 1.04 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.43 1zye n SER 18 N -3.66 0.00 -1.27 0.57 7.64 -1.26 -4.62 113.62 111.02 1zye n SER 18 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.97 1zye n SER 18 Cb 0.08 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.56 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 4.50 2.27 3.54 0.23 0.00 -1.26 -4.92 105.19 109.55 1zye n GLY 19 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.15 1.99 0.32 1.61 2.02 -1.26 -5.10 118.70 117.13 1zye s GLU 20 Ca 0.45 -1.08 -0.27 0.00 0.02 0.00 0.00 54.97 54.09 1zye s GLU 20 Cb 0.24 -2.23 -0.10 0.00 0.10 0.00 0.00 34.13 32.15 1zye s GLU 20 CO 0.32 0.50 0.97 -0.06 0.02 0.00 0.00 175.26 177.01 1zye s PHE 21 N -1.18 3.67 -0.16 1.61 0.08 -1.26 -1.67 117.98 119.07 1zye s PHE 21 Ca 0.20 1.78 -0.11 0.00 0.12 0.00 0.00 56.93 58.92 1zye s PHE 21 Cb -0.11 -2.98 0.05 0.00 -0.57 0.00 0.00 43.02 39.41 1zye s PHE 21 CO 0.12 0.08 0.40 0.21 -0.10 0.00 0.00 175.22 175.93 1zye s LYS 22 N -1.95 0.42 0.01 0.44 2.20 -0.26 -4.87 119.74 115.74 1zye s LYS 22 Ca 0.49 0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 56.50 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 -0.12 1.67 -1.21 -0.36 0.00 0.00 175.35 175.59 1zye s GLU 23 N 0.94 4.19 0.06 4.03 0.41 -1.26 -1.24 118.70 125.84 1zye s GLU 23 Ca -0.06 2.27 0.06 0.00 -0.41 0.00 0.00 54.97 56.84 1zye s GLU 23 Cb -0.06 -3.81 -0.03 0.00 -1.78 0.00 0.00 34.13 28.45 1zye s GLU 23 CO -0.08 -0.79 -0.17 0.96 -0.49 0.00 0.00 175.26 174.70 1zye s ILE 24 N 3.35 1.34 0.16 -1.63 -4.36 -0.76 -4.97 121.20 114.35 1zye s ILE 24 Ca 0.74 -1.22 -0.01 0.00 -0.26 0.00 0.00 60.65 59.91 1zye s ILE 24 Cb -0.37 -1.22 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1zye s ILE 24 CO 0.32 -0.03 0.07 -0.94 0.24 0.00 0.00 174.94 174.60 1zye s SER 25 N -1.45 0.42 0.39 4.36 1.04 -1.26 -1.93 113.70 115.27 1zye s SER 25 Ca 0.03 -1.27 0.14 0.00 0.48 0.00 0.00 55.95 55.33 1zye s SER 25 Cb -0.09 0.29 0.97 0.00 0.10 0.00 0.00 66.02 67.30 1zye s SER 25 CO 0.02 -0.74 1.84 0.25 0.98 0.00 0.00 173.24 175.59 1zye h LEU 26 N 2.74 0.52 -1.33 2.42 5.85 -1.63 -1.78 115.31 122.11 1zye h LEU 26 Ca -0.36 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.49 1zye h LEU 26 Cb 1.22 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1zye h LEU 26 CO 0.58 0.22 0.51 0.44 -0.34 0.00 0.00 178.44 179.85 1zye h ASP 27 N 0.52 0.70 0.16 1.25 3.32 -1.96 -1.53 116.42 118.88 1zye h ASP 27 Ca 0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1zye h ASP 27 Cb 1.04 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1zye h ASP 27 CO -0.22 0.44 0.00 0.47 -1.72 0.00 0.00 179.24 178.21 1zye n ASP 28 N -4.49 0.00 -0.27 6.45 8.00 -0.67 -1.38 116.55 124.19 1zye n ASP 28 Ca 0.12 0.31 0.03 0.00 0.71 0.00 0.00 54.79 55.97 1zye n ASP 28 Cb 0.26 -0.37 0.04 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.37 0.05 -1.53 1.24 3.72 -0.58 -4.97 117.46 114.02 1zye n PHE 29 Ca 0.02 -0.09 -0.54 0.00 -0.05 0.00 0.00 57.45 56.79 1zye n PHE 29 Cb 0.06 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.30 0.57 -1.18 -1.08 3.00 -0.48 -0.57 118.16 118.72 1zye n LYS 30 Ca 0.04 0.20 -0.06 0.00 -0.00 0.00 0.00 58.31 58.49 1zye n LYS 30 Cb 0.19 -1.70 -0.03 0.00 0.00 0.00 0.00 35.03 33.50 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 1.95 0.72 3.33 3.14 0.00 -0.17 -4.99 105.19 109.16 1zye n GLY 31 Ca 0.18 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.15 1.31 0.04 1.61 1.02 0.27 -4.83 119.74 117.01 1zye s LYS 32 Ca 0.00 -1.63 -0.23 0.00 0.02 0.00 0.00 55.97 54.13 1zye s LYS 32 Cb 0.00 -0.78 -0.06 0.00 -0.52 0.00 0.00 37.83 36.47 1zye s LYS 32 CO 0.00 0.01 0.71 0.71 -0.92 0.00 0.00 175.35 175.86 1zye s TYR 33 N -3.26 3.73 -0.17 3.18 1.51 -0.59 -2.13 117.35 119.62 1zye s TYR 33 Ca 0.25 1.39 0.01 0.00 -1.01 0.00 0.00 57.07 57.71 1zye s TYR 33 Cb 0.04 -2.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.16 1zye s TYR 33 CO 0.07 0.32 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.47 1zye s LEU 34 N -0.20 2.21 -0.65 -1.29 0.20 0.94 0.71 118.68 120.60 1zye s LEU 34 Ca 0.36 -0.60 -0.16 0.00 0.69 0.00 0.00 54.13 54.42 1zye s LEU 34 Cb -0.20 -1.49 0.15 0.00 -0.43 0.00 0.00 46.19 44.21 1zye s LEU 34 CO 0.21 0.04 0.66 -0.69 -0.29 0.00 0.00 176.35 176.28 1zye s VAL 35 N 1.07 5.18 -0.33 1.68 1.01 0.82 -0.91 120.40 128.92 1zye s VAL 35 Ca -0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 61.98 60.21 1zye s VAL 35 Cb -0.14 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 1zye s VAL 35 CO -0.07 -1.02 0.35 -0.22 0.00 0.00 0.00 175.10 174.14 1zye s LEU 36 N 1.59 4.40 -0.00 3.92 2.96 -0.67 -1.43 118.68 129.46 1zye s LEU 36 Ca 0.11 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1zye s LEU 36 Cb -0.22 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 1zye s LEU 36 CO 0.00 -0.31 -0.09 0.72 -1.32 0.00 0.00 176.35 175.35 1zye s PHE 37 N 1.99 0.80 0.08 5.38 -0.71 -0.85 -0.25 117.98 124.42 1zye s PHE 37 Ca 0.11 -0.17 0.02 0.00 -1.04 0.00 0.00 56.93 55.86 1zye s PHE 37 Cb -0.17 -0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 41.09 1zye s PHE 37 CO 0.11 -0.01 0.14 -0.06 -1.34 0.00 0.00 175.22 174.06 1zye s PHE 38 N -0.26 3.31 0.06 3.49 0.40 0.20 -0.04 117.98 125.15 1zye s PHE 38 Ca 0.03 0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 1zye s PHE 38 Cb -0.04 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1zye s PHE 38 CO -0.00 0.54 -0.05 1.52 0.70 0.00 0.00 175.22 177.93 1zye s TYR 39 N -1.48 0.65 0.00 0.36 1.13 -0.38 -3.49 117.35 114.14 1zye s TYR 39 Ca 0.32 -0.92 0.00 0.00 -1.41 0.00 0.00 57.07 55.05 1zye s TYR 39 Cb -0.12 -0.42 0.00 0.00 -1.10 0.00 0.00 41.96 40.32 1zye s TYR 39 CO 0.24 -0.26 0.39 -2.30 -2.51 0.00 0.00 175.55 171.12 1zye n PRO 40 N 0.28 0.00 -3.98 -3.49 -0.02 -1.23 -4.39 135.00 122.17 1zye n PRO 40 Ca -0.15 0.11 -0.09 0.00 -2.02 0.00 0.00 63.50 61.35 1zye n PRO 40 Cb 0.60 -0.89 -0.11 0.00 -0.02 0.00 0.00 33.50 33.08 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 -1.00 2.25 0.64 2.45 1.43 -1.26 -4.08 118.68 119.10 1zye s LEU 41 Ca 0.00 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.43 1zye s LEU 41 Cb 0.00 0.10 -0.01 0.00 0.03 0.00 0.00 46.19 46.31 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 -1.51 5.21 -1.53 2.29 1.01 -1.26 -3.65 116.67 117.23 1zye s ASP 42 Ca -0.15 2.03 0.00 0.00 0.71 0.00 0.00 52.55 55.14 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 -1.56 0.00 0.49 0.21 0.00 0.00 175.17 174.30 1zye n PHE 43 N -2.22 -0.48 -3.76 4.23 3.72 -1.26 -5.00 117.46 112.69 1zye n PHE 43 Ca 0.11 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.16 1zye n PHE 43 Cb 0.52 -3.15 -0.05 0.00 -0.94 0.00 0.00 39.48 35.86 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 -2.74 5.29 0.22 4.37 -4.23 -1.24 -5.00 115.64 112.31 1zye s THR 44 Ca 0.00 0.16 0.31 0.00 -1.18 0.00 0.00 61.69 60.98 1zye s THR 44 Cb 0.00 -3.57 0.34 0.00 1.34 0.00 0.00 72.50 70.61 1zye s THR 44 CO 0.00 0.35 1.99 -0.26 -0.54 0.00 0.00 174.62 176.17 1zye h PHE 45 N 3.94 0.00 0.04 3.99 0.04 -1.94 -3.24 116.94 119.77 1zye h PHE 45 Ca -0.50 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.01 1zye h PHE 45 Cb 1.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 1zye h PHE 45 CO 0.68 0.08 -1.38 0.28 -0.60 0.00 0.00 178.31 177.37 1zye h VAL 46 N 0.00 1.29 0.03 -0.55 2.07 -1.96 -3.41 116.25 113.70 1zye h VAL 46 Ca -0.00 -3.01 -0.23 0.00 0.82 0.00 0.00 66.70 64.28 1zye h VAL 46 Cb 0.50 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1zye h VAL 46 CO 0.01 0.79 -0.99 0.00 0.02 0.00 0.00 177.57 177.41 1zye h PRO 48 N 0.17 0.12 -0.56 0.00 0.13 -1.81 -2.91 132.00 127.14 1zye h PRO 48 Ca -0.08 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 1zye h PRO 48 Cb 1.64 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.74 1zye h PRO 48 CO 0.16 0.53 0.20 1.79 -0.23 0.00 0.00 178.00 180.45 1zye h THR 49 N 0.10 1.23 -0.33 1.56 1.35 -1.92 0.15 112.91 115.06 1zye h THR 49 Ca 0.01 -0.75 -0.16 0.00 -0.55 0.00 0.00 66.41 64.96 1zye h THR 49 Cb 0.79 0.66 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1zye h THR 49 CO 0.06 0.28 -0.43 -0.08 -0.25 0.00 0.00 175.52 175.11 1zye h GLU 50 N 0.78 0.87 -0.33 4.72 4.81 -1.82 -1.74 114.58 121.86 1zye h GLU 50 Ca 0.19 -0.50 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 1zye h GLU 50 Cb 0.24 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1zye h GLU 50 CO -0.01 1.14 0.09 0.82 -0.73 0.00 0.00 179.01 180.32 1zye h ILE 51 N 0.66 1.22 -0.54 2.32 2.04 -1.40 -2.89 117.51 118.91 1zye h ILE 51 Ca 0.04 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1zye h ILE 51 Cb 1.02 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1zye h ILE 51 CO 0.10 0.24 0.25 0.40 0.00 0.00 0.00 178.15 179.14 1zye h ILE 52 N 0.38 0.89 -0.97 -0.67 2.04 -0.88 -2.21 117.51 116.08 1zye h ILE 52 Ca 0.11 -0.16 0.18 0.00 1.00 0.00 0.00 64.86 65.98 1zye h ILE 52 Cb 0.28 0.38 -0.10 0.00 -0.74 0.00 0.00 36.82 36.64 1zye h ILE 52 CO -0.00 0.09 0.58 0.00 0.00 0.00 0.00 178.15 178.81 1zye h ALA 53 N 1.32 1.58 -0.02 1.87 0.00 -1.11 -0.13 119.26 122.77 1zye h ALA 53 Ca 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1zye h ALA 53 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1zye h ALA 53 CO -0.21 -0.03 -0.04 0.74 0.00 0.00 0.00 179.25 179.70 1zye h PHE 54 N 0.76 0.07 -0.80 0.00 0.04 -1.29 -2.72 116.94 113.00 1zye h PHE 54 Ca 0.55 -0.03 0.19 0.00 2.80 0.00 0.00 57.97 61.49 1zye h PHE 54 Cb 0.82 -0.01 -0.13 0.00 2.20 0.00 0.00 35.95 38.82 1zye h PHE 54 CO -0.02 0.64 0.09 1.03 -0.60 0.00 0.00 178.31 179.45 1zye h SER 55 N -0.51 -0.21 0.67 2.17 0.87 -0.90 0.21 113.55 115.84 1zye h SER 55 Ca -0.00 0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1zye h SER 55 Cb 0.64 0.31 0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1zye h SER 55 CO 0.01 -0.17 -0.32 0.44 -0.53 0.00 0.00 176.83 176.26 1zye h ASP 56 N 0.15 -0.76 0.00 6.23 3.32 -1.05 -2.65 116.42 121.66 1zye h ASP 56 Ca 0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1zye h ASP 56 Cb 0.86 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1zye h ASP 56 CO -0.66 -0.43 0.00 0.29 -1.72 0.00 0.00 179.24 176.72 1zye n LYS 57 N -5.41 0.69 -0.16 3.56 4.76 -1.02 -4.19 118.16 116.38 1zye n LYS 57 Ca -0.13 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.28 1zye n LYS 57 Cb 0.38 -1.12 0.03 0.00 -1.84 0.00 0.00 35.03 32.48 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 2.61 0.28 -0.54 7.82 0.00 -0.21 -0.14 119.26 129.09 1zye h ALA 58 Ca 0.00 0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.21 1zye h ALA 58 Cb 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1zye h ALA 58 CO 0.00 -0.47 -0.10 0.66 0.00 0.00 0.00 179.25 179.33 1zye h SER 59 N -0.04 -0.44 -0.97 0.00 4.64 -1.81 -0.74 113.55 114.19 1zye h SER 59 Ca 0.24 0.15 0.26 0.00 -0.47 0.00 0.00 61.79 61.98 1zye h SER 59 Cb 0.41 0.31 -0.13 0.00 -0.31 0.00 0.00 62.40 62.67 1zye h SER 59 CO -0.54 -0.16 0.51 -0.33 -0.87 0.00 0.00 176.83 175.44 1zye h GLU 60 N 0.02 0.41 -0.27 4.77 5.08 -1.33 0.29 114.58 123.56 1zye h GLU 60 Ca 0.26 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1zye h GLU 60 Cb 0.41 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1zye h GLU 60 CO -0.53 0.27 -0.16 0.74 -1.00 0.00 0.00 179.01 178.34 1zye h PHE 61 N 0.42 0.67 -0.81 4.33 -1.00 -1.06 -3.09 116.94 116.40 1zye h PHE 61 Ca 0.65 -0.17 0.05 0.00 2.81 0.00 0.00 57.97 61.30 1zye h PHE 61 Cb 1.33 -0.15 -0.05 0.00 3.61 0.00 0.00 35.95 40.68 1zye h PHE 61 CO -0.06 0.84 0.50 0.45 -1.61 0.00 0.00 178.31 178.44 1zye h HIS 62 N 0.30 0.94 -0.37 -0.55 3.86 0.02 0.18 115.15 119.53 1zye h HIS 62 Ca 0.06 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.35 1zye h HIS 62 Cb 0.68 -0.31 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 1zye h HIS 62 CO 0.06 0.51 0.07 -0.44 0.86 0.00 0.00 177.93 178.99 1zye h ASP 63 N 0.95 0.00 -0.14 2.45 3.45 -0.89 0.77 116.42 123.01 1zye h ASP 63 Ca 0.34 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.86 1zye h ASP 63 Cb 0.08 0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1zye h ASP 63 CO -0.14 0.04 0.00 1.33 -1.57 0.00 0.00 179.24 178.90 1zye n VAL 64 N -5.10 0.49 -2.74 -1.35 0.24 -0.95 -4.89 118.33 104.02 1zye n VAL 64 Ca 0.02 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 61.95 1zye n VAL 64 Cb 0.17 -0.27 0.04 0.00 -1.47 0.00 0.00 33.84 32.30 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 0.09 -2.69 -3.91 -1.34 5.15 0.26 -4.92 115.26 107.91 1zye n ASN 65 Ca 0.06 -0.25 -0.20 0.00 -0.60 0.00 0.00 54.58 53.58 1zye n ASN 65 Cb 0.36 -2.48 -0.16 0.00 -0.53 0.00 0.00 39.78 36.97 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 0.86 3.60 -0.12 0.00 0.41 0.22 -2.88 118.70 120.79 1zye s GLU 67 Ca -0.12 -0.03 -0.01 0.00 -0.41 0.00 0.00 54.97 54.41 1zye s GLU 67 Cb -0.15 -2.62 0.03 0.00 -1.78 0.00 0.00 34.13 29.62 1zye s GLU 67 CO 0.01 0.16 -0.05 0.08 -0.49 0.00 0.00 175.26 174.97 1zye s VAL 68 N -2.19 0.89 -0.12 2.63 1.01 -1.26 -0.13 120.40 121.23 1zye s VAL 68 Ca 0.44 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1zye s VAL 68 Cb -0.10 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1zye s VAL 68 CO 0.32 0.28 -0.12 0.54 0.00 0.00 0.00 175.10 176.12 1zye s VAL 69 N 1.75 1.37 0.41 2.92 0.11 -0.51 -3.49 120.40 122.96 1zye s VAL 69 Ca 0.04 -0.52 -0.21 0.00 -2.93 0.00 0.00 61.98 58.36 1zye s VAL 69 Cb -0.13 -1.30 -0.11 0.00 -1.53 0.00 0.00 36.38 33.31 1zye s VAL 69 CO -0.08 0.42 0.93 0.00 -3.33 0.00 0.00 175.10 173.05 1zye s ALA 70 N 1.38 3.08 -0.03 1.54 0.00 -0.94 -2.00 121.76 124.79 1zye s ALA 70 Ca 0.01 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 1zye s ALA 70 Cb -0.13 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1zye s ALA 70 CO -0.07 0.15 0.18 0.54 0.00 0.00 0.00 175.76 176.57 1zye s VAL 71 N -2.10 0.04 0.23 0.00 0.11 0.95 -0.56 120.40 119.07 1zye s VAL 71 Ca 0.60 -0.36 -0.18 0.00 -2.93 0.00 0.00 61.98 59.11 1zye s VAL 71 Cb -0.10 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1zye s VAL 71 CO 0.14 -0.20 0.60 -0.94 -3.33 0.00 0.00 175.10 171.37 1zye s SER 72 N -0.71 -0.25 0.00 3.54 1.04 -1.21 -1.25 113.70 114.85 1zye s SER 72 Ca -0.08 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1zye s SER 72 Cb -0.05 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1zye s SER 72 CO 0.01 -1.18 0.87 1.33 0.98 0.00 0.00 173.24 175.26 1zye n VAL 73 N -0.40 0.00 -2.37 5.02 0.24 -1.26 -1.15 118.33 118.41 1zye n VAL 73 Ca -0.07 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.94 1zye n VAL 73 Cb 0.61 -0.07 -0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.09 6.30 0.63 -1.34 1.01 -1.26 -4.05 116.67 116.86 1zye s ASP 74 Ca 0.00 1.16 -0.17 0.00 0.71 0.00 0.00 52.55 54.25 1zye s ASP 74 Cb 0.00 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 1zye s ASP 74 CO 0.00 -0.66 1.15 -0.94 0.21 0.00 0.00 175.17 174.92 1zye s SER 75 N -3.97 5.15 0.26 0.27 1.04 -1.26 -3.50 113.70 111.69 1zye s SER 75 Ca 0.51 2.18 0.22 0.00 0.48 0.00 0.00 55.95 59.34 1zye s SER 75 Cb -0.11 -2.57 0.99 0.00 0.10 0.00 0.00 66.02 64.44 1zye s SER 75 CO 0.46 -1.61 1.68 0.00 0.98 0.00 0.00 173.24 174.75 1zye n HIS 76 N -2.00 0.76 -0.06 5.02 1.44 -1.26 -1.38 115.22 117.73 1zye n HIS 76 Ca 0.12 0.32 -0.14 0.00 -2.01 0.00 0.00 57.72 56.00 1zye n HIS 76 Cb 0.51 -1.01 -0.07 0.00 0.12 0.00 0.00 29.99 29.54 1zye n HIS 76 CO 0.00 0.00 0.00 0.74 -2.81 0.00 0.00 176.34 174.27 1zye h PHE 77 N 0.00 0.66 -0.38 -1.40 0.04 -1.98 -2.38 116.94 111.49 1zye h PHE 77 Ca 0.00 -0.23 0.04 0.00 2.80 0.00 0.00 57.97 60.57 1zye h PHE 77 Cb 0.28 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 1zye h PHE 77 CO 0.00 0.95 0.17 0.77 -0.60 0.00 0.00 178.31 179.60 1zye h SER 78 N 0.18 0.22 -0.16 2.17 0.02 -1.59 -1.22 113.55 113.17 1zye h SER 78 Ca 0.01 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1zye h SER 78 Cb 0.90 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.36 1zye h SER 78 CO 0.07 0.17 -0.45 0.45 -1.14 0.00 0.00 176.83 175.93 1zye h HIS 79 N 0.35 -1.30 0.26 3.45 3.86 -1.40 -0.81 115.15 119.55 1zye h HIS 79 Ca 0.17 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1zye h HIS 79 Cb 0.11 0.59 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 1zye h HIS 79 CO -0.12 -0.49 -0.42 1.25 0.86 0.00 0.00 177.93 179.01 1zye h LEU 80 N -0.50 -1.22 -0.82 2.43 5.85 -1.13 0.66 115.31 120.58 1zye h LEU 80 Ca 0.07 0.11 0.32 0.00 0.84 0.00 0.00 57.88 59.22 1zye h LEU 80 Cb 0.64 0.43 -0.15 0.00 0.37 0.00 0.00 40.66 41.94 1zye h LEU 80 CO -0.43 -0.50 0.34 0.00 -0.34 0.00 0.00 178.44 177.51 1zye n ALA 81 N -2.78 0.75 0.10 1.25 0.00 -0.49 -0.12 120.51 119.22 1zye n ALA 81 Ca -0.08 0.85 -0.23 0.00 0.00 0.00 0.00 53.44 53.97 1zye n ALA 81 Cb 0.36 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.88 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 1.00 -0.90 0.00 7.01 0.51 -2.15 115.95 121.42 1zye h TRP 82 Ca 0.65 -0.66 0.09 0.00 2.11 0.00 0.00 58.89 61.09 1zye h TRP 82 Cb 1.66 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 28.57 1zye h TRP 82 CO -0.10 1.50 0.54 0.82 -2.79 0.00 0.00 178.44 178.41 1zye h ILE 83 N 0.22 0.96 0.00 2.65 2.04 0.13 -1.81 117.51 121.70 1zye h ILE 83 Ca -0.21 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1zye h ILE 83 Cb 1.97 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1zye h ILE 83 CO 0.25 0.17 0.00 0.59 0.00 0.00 0.00 178.15 179.15 1zye n ASN 84 N -4.66 0.00 -4.71 1.72 3.02 0.82 -2.15 115.26 109.30 1zye n ASN 84 Ca 0.15 0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 1zye n ASN 84 Cb 0.27 -0.34 -0.04 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.67 4.92 0.39 3.41 2.01 -0.74 -4.93 115.64 118.02 1zye s THR 85 Ca 0.20 1.85 -0.26 0.00 0.31 0.00 0.00 61.69 63.79 1zye s THR 85 Cb 0.16 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.36 1zye s THR 85 CO 0.39 0.17 1.28 -2.84 -0.69 0.00 0.00 174.62 172.93 1zye s PRO 86 N 1.06 4.05 0.25 4.92 0.02 -1.26 -1.40 135.00 142.64 1zye s PRO 86 Ca 0.47 2.12 -0.04 0.00 0.02 0.00 0.00 61.00 63.57 1zye s PRO 86 Cb -0.20 -2.80 0.48 0.00 0.02 0.00 0.00 34.50 32.00 1zye s PRO 86 CO 0.24 -0.41 1.72 0.00 -0.33 0.00 0.00 177.00 178.21 1zye h ARG 87 N 2.80 0.38 -0.57 5.54 3.08 -1.82 -0.67 114.38 123.12 1zye h ARG 87 Ca -0.49 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 59.68 1zye h ARG 87 Cb 1.24 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 31.10 1zye h ARG 87 CO 0.63 0.25 -0.03 1.17 -1.07 0.00 0.00 179.97 180.93 1zye n LYS 88 N -5.05 -0.05 -1.66 0.04 4.81 -1.26 -0.77 118.16 114.22 1zye n LYS 88 Ca 0.15 0.86 -0.31 0.00 -0.87 0.00 0.00 58.31 58.14 1zye n LYS 88 Cb 0.44 -1.35 0.05 0.00 0.02 0.00 0.00 35.03 34.20 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 -4.77 6.64 0.00 3.14 3.02 -0.27 -4.91 115.26 118.12 1zye n ASN 89 Ca 0.12 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.90 1zye n ASN 89 Cb 0.40 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 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 -0.80 2.40 0.00 7.41 0.00 0.05 -4.91 105.19 109.34 1zye n GLY 90 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.59 0.12 -0.02 0.00 -1.16 -4.86 105.19 95.69 1zye n GLY 91 Ca 0.00 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 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 2.27 0.00 0.99 4.77 -0.82 -4.25 117.00 119.96 1zye n LEU 92 Ca 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1zye n LEU 92 Cb 0.00 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1zye n LEU 92 CO 0.00 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1zye n GLY 93 N 2.07 -0.42 3.52 -0.72 0.00 -0.49 -4.62 105.19 104.53 1zye n GLY 93 Ca -0.39 -1.08 -0.47 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.19 0.69 -4.68 1.61 -0.00 -1.26 -4.65 115.22 106.75 1zye n HIS 94 Ca 0.00 0.80 -0.25 0.00 -0.00 0.00 0.00 57.72 58.27 1zye n HIS 94 Cb 0.00 -2.16 -0.17 0.00 -0.00 0.00 0.00 29.99 27.67 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 -1.01 1.84 0.00 1.57 0.00 -1.26 -5.01 119.30 115.43 1zye s MET 95 Ca 0.66 -0.48 0.25 0.00 0.00 0.00 0.00 55.69 56.11 1zye s MET 95 Cb -0.84 -1.51 0.40 0.00 0.00 0.00 0.00 34.83 32.88 1zye s MET 95 CO 0.57 0.07 1.34 0.09 0.00 0.00 0.00 175.02 177.08 1zye n ASN 96 N 3.71 1.20 -4.59 1.11 3.02 -1.26 -4.90 115.26 113.55 1zye n ASN 96 Ca -0.22 -0.97 -0.27 0.00 -0.03 0.00 0.00 54.58 53.09 1zye n ASN 96 Cb 0.52 0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 39.95 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 -2.64 3.33 0.29 2.41 -4.36 -1.26 -4.99 121.20 113.98 1zye s ILE 97 Ca 0.19 -1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 58.74 1zye s ILE 97 Cb 0.18 -2.64 -0.10 0.00 1.25 0.00 0.00 42.46 41.15 1zye s ILE 97 CO 0.60 -0.07 1.36 0.00 0.24 0.00 0.00 174.94 177.07 1zye s ALA 98 N -1.63 3.54 -0.39 2.27 0.00 -1.23 -4.88 121.76 119.46 1zye s ALA 98 Ca 0.25 1.28 -0.05 0.00 0.00 0.00 0.00 51.96 53.44 1zye s ALA 98 Cb -0.09 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.60 1zye s ALA 98 CO 0.16 -0.68 0.18 -0.51 0.00 0.00 0.00 175.76 174.90 1zye s LEU 99 N -1.19 4.89 0.13 0.00 1.02 -0.89 -2.21 118.68 120.43 1zye s LEU 99 Ca 0.53 -1.64 -0.28 0.00 0.02 0.00 0.00 54.13 52.76 1zye s LEU 99 Cb -0.40 -1.86 -0.07 0.00 0.02 0.00 0.00 46.19 43.88 1zye s LEU 99 CO 0.49 -0.47 0.87 -0.22 0.02 0.00 0.00 176.35 177.04 1zye s LEU 100 N 1.28 4.54 -0.11 1.79 2.96 0.27 -0.75 118.68 128.66 1zye s LEU 100 Ca 0.03 1.71 -0.16 0.00 -0.22 0.00 0.00 54.13 55.49 1zye s LEU 100 Cb -0.22 -3.45 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 1zye s LEU 100 CO -0.01 0.05 0.42 -0.55 -1.32 0.00 0.00 176.35 174.94 1zye s SER 101 N -0.47 6.64 -0.68 3.68 0.15 0.56 -3.31 113.70 120.26 1zye s SER 101 Ca 0.41 0.76 0.04 0.00 0.70 0.00 0.00 55.95 57.86 1zye s SER 101 Cb -0.23 -2.25 0.33 0.00 -1.71 0.00 0.00 66.02 62.16 1zye s SER 101 CO 0.28 0.08 1.14 -0.67 1.20 0.00 0.00 173.24 175.27 1zye n ASP 102 N 3.35 5.12 -0.35 5.45 2.03 -0.30 -4.34 116.55 127.51 1zye n ASP 102 Ca -0.09 -3.68 0.04 0.00 0.52 0.00 0.00 54.79 51.58 1zye n ASP 102 Cb 0.52 -0.70 0.22 0.00 -0.72 0.00 0.00 41.12 40.44 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 3.29 0.96 0.00 -2.67 6.46 -1.71 -1.10 115.31 120.54 1zye h LEU 103 Ca 0.22 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1zye h LEU 103 Cb 0.47 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1zye h LEU 103 CO 0.90 0.59 0.00 0.35 -0.62 0.00 0.00 178.44 179.66 1zye n THR 104 N -4.52 0.00 -0.57 1.05 -2.24 -1.26 -4.84 114.28 101.90 1zye n THR 104 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1zye n THR 104 Cb 0.24 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 -0.90 -0.38 -0.19 -0.78 5.02 -0.42 -4.84 118.16 115.67 1zye n LYS 105 Ca 0.16 0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.45 1zye n LYS 105 Cb 0.07 -4.43 0.01 0.00 -0.02 0.00 0.00 35.03 30.66 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 0.95 -0.23 1.97 1.08 -1.88 -1.85 115.11 115.14 1zye h GLN 106 Ca 0.00 -0.29 -0.09 0.00 -1.45 0.00 0.00 58.65 56.81 1zye h GLN 106 Cb 0.18 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1zye h GLN 106 CO 0.00 0.95 -0.22 0.82 -0.95 0.00 0.00 178.83 179.43 1zye h ILE 107 N 0.83 1.32 -0.20 2.54 2.04 -1.89 0.38 117.51 122.53 1zye h ILE 107 Ca 0.16 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1zye h ILE 107 Cb 0.51 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1zye h ILE 107 CO 0.02 0.43 0.05 0.28 0.00 0.00 0.00 178.15 178.93 1zye h SER 108 N 0.25 0.25 -0.16 1.72 0.02 -1.92 -1.52 113.55 112.19 1zye h SER 108 Ca 0.04 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1zye h SER 108 Cb 0.77 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1zye h SER 108 CO 0.06 0.26 -0.14 -0.09 -1.14 0.00 0.00 176.83 175.77 1zye h ARG 109 N 0.28 0.39 -0.06 3.45 2.43 -0.66 -1.51 114.38 118.70 1zye h ARG 109 Ca 0.07 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 1zye h ARG 109 Cb 0.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1zye h ARG 109 CO -0.00 0.75 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.56 1zye h ASP 110 N 0.04 0.09 -0.31 -3.80 3.32 -0.67 -2.14 116.42 112.95 1zye h ASP 110 Ca 0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1zye h ASP 110 Cb 0.67 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1zye h ASP 110 CO 0.04 0.31 0.00 -1.22 -1.72 0.00 0.00 179.24 176.65 1zye n TYR 111 N -4.25 0.40 -3.84 4.55 4.02 -0.60 -4.56 117.16 112.88 1zye n TYR 111 Ca -0.02 -0.20 -0.26 0.00 -0.01 0.00 0.00 57.90 57.41 1zye n TYR 111 Cb 0.29 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.64 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 -0.38 0.00 2.72 0.00 -0.80 -4.87 105.19 103.04 1zye n GLY 112 Ca 0.15 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.48 0.07 -2.78 1.61 0.24 -0.62 -5.02 118.33 107.34 1zye n VAL 113 Ca -0.13 -0.51 -0.43 0.00 -2.04 0.00 0.00 64.34 61.23 1zye n VAL 113 Cb 0.60 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.94 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 -0.07 3.98 -0.42 1.34 2.96 -0.92 -0.38 118.68 125.17 1zye s LEU 114 Ca 0.00 0.63 -0.28 0.00 -0.22 0.00 0.00 54.13 54.26 1zye s LEU 114 Cb 0.00 -3.30 -0.01 0.00 0.50 0.00 0.00 46.19 43.39 1zye s LEU 114 CO 0.00 -0.87 1.63 -0.76 -1.32 0.00 0.00 176.35 175.04 1zye s LEU 115 N 3.51 3.49 0.33 -0.68 1.02 -0.60 -4.89 118.68 120.87 1zye s LEU 115 Ca 0.39 0.91 0.09 0.00 0.02 0.00 0.00 54.13 55.54 1zye s LEU 115 Cb -0.12 -3.35 0.58 0.00 0.02 0.00 0.00 46.19 43.32 1zye s LEU 115 CO 0.19 -1.70 1.76 -0.33 0.02 0.00 0.00 176.35 176.29 1zye h GLU 116 N 12.21 0.15 0.00 1.70 4.39 -1.95 0.11 114.58 131.19 1zye h GLU 116 Ca -0.30 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1zye h GLU 116 Cb 1.14 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1zye h GLU 116 CO 1.09 0.51 0.00 0.41 -1.16 0.00 0.00 179.01 179.86 1zye n GLY 117 N -0.34 -2.81 0.12 -3.84 0.00 -1.26 -3.24 105.19 93.82 1zye n GLY 117 Ca -0.01 0.24 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 1zye n GLY 117 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1zye h PRO 118 N 0.00 0.06 -0.78 1.61 0.11 -2.00 -3.47 132.00 127.52 1zye h PRO 118 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1zye h PRO 118 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1zye h PRO 118 CO 0.00 0.78 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 1zye n GLY 119 N 0.61 0.92 3.16 -0.55 0.00 0.36 -5.09 105.19 104.61 1zye n GLY 119 Ca -0.01 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.78 1.79 0.25 0.99 2.34 -1.14 -4.93 118.68 117.20 1zye s LEU 120 Ca 0.00 -1.13 -0.09 0.00 0.06 0.00 0.00 54.13 52.97 1zye s LEU 120 Cb 0.00 0.39 -0.07 0.00 -0.56 0.00 0.00 46.19 45.95 1zye s LEU 120 CO 0.00 -0.73 0.56 0.00 -1.06 0.00 0.00 176.35 175.12 1zye s ALA 121 N -4.02 3.57 0.89 1.48 0.00 -1.26 -1.55 121.76 120.87 1zye s ALA 121 Ca 0.20 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 1zye s ALA 121 Cb 0.07 -2.42 0.12 0.00 0.00 0.00 0.00 23.12 20.90 1zye s ALA 121 CO -0.00 0.43 1.12 -0.51 0.00 0.00 0.00 175.76 176.80 1zye s LEU 122 N -3.01 2.15 -1.42 0.00 1.43 0.48 -3.48 118.68 114.83 1zye s LEU 122 Ca 0.47 1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 54.50 1zye s LEU 122 Cb -0.11 -3.47 0.05 0.00 0.03 0.00 0.00 46.19 42.68 1zye s LEU 122 CO 0.23 -2.43 2.12 0.54 0.23 0.00 0.00 176.35 177.04 1zye n ARG 123 N -3.70 2.93 -3.49 1.70 1.74 -0.96 -4.19 116.66 110.68 1zye n ARG 123 Ca 0.07 -2.75 -0.32 0.00 -0.77 0.00 0.00 57.85 54.07 1zye n ARG 123 Cb 0.58 -3.34 -0.05 0.00 -1.02 0.00 0.00 32.46 28.63 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 3.44 2.29 -0.02 -0.13 0.00 -1.23 -1.37 107.32 110.30 1zye s GLY 124 Ca 0.49 -0.34 -0.00 0.00 0.00 0.00 0.00 44.72 44.86 1zye s GLY 124 CO -0.05 -0.20 0.03 -2.27 0.00 0.00 0.00 173.10 170.61 1zye s LEU 125 N -2.64 1.32 -0.05 0.66 0.20 0.13 0.61 118.68 118.92 1zye s LEU 125 Ca 0.44 0.06 0.04 0.00 0.69 0.00 0.00 54.13 55.36 1zye s LEU 125 Cb -0.12 0.00 -0.00 0.00 -0.43 0.00 0.00 46.19 45.64 1zye s LEU 125 CO 0.22 -0.09 -0.18 -0.36 -0.29 0.00 0.00 176.35 175.65 1zye s PHE 126 N 0.75 1.81 -0.38 5.38 0.08 0.65 -0.35 117.98 125.91 1zye s PHE 126 Ca -0.06 -0.55 -0.11 0.00 0.12 0.00 0.00 56.93 56.33 1zye s PHE 126 Cb -0.09 -1.22 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1zye s PHE 126 CO -0.02 -0.19 0.21 0.42 -0.10 0.00 0.00 175.22 175.54 1zye s ILE 127 N 0.08 4.55 -0.16 0.64 1.01 -0.40 -1.67 121.20 125.26 1zye s ILE 127 Ca -0.05 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 1zye s ILE 127 Cb -0.12 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1zye s ILE 127 CO 0.03 -0.27 0.05 -0.63 0.00 0.00 0.00 174.94 174.12 1zye s ILE 128 N 1.54 4.68 0.62 2.92 1.01 -0.08 -0.71 121.20 131.17 1zye s ILE 128 Ca 0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1zye s ILE 128 Cb -0.20 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.21 1zye s ILE 128 CO 0.06 0.51 0.95 1.51 0.00 0.00 0.00 174.94 177.97 1zye s ASP 129 N 0.00 5.62 0.64 3.58 1.47 0.10 -0.04 116.67 128.04 1zye s ASP 129 Ca 0.05 0.86 0.16 0.00 1.18 0.00 0.00 52.55 54.81 1zye s ASP 129 Cb -0.12 -1.83 0.74 0.00 -0.34 0.00 0.00 42.92 41.37 1zye s ASP 129 CO 0.01 -1.10 1.37 1.55 0.68 0.00 0.00 175.17 177.68 1zye h PRO 130 N -0.28 0.00 -0.40 2.11 0.13 -1.72 0.41 132.00 132.24 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1zye h PRO 130 CO 0.62 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.48 1zye n ASN 131 N -2.91 2.78 -0.10 1.44 4.13 -1.26 -1.00 115.26 118.33 1zye n ASN 131 Ca 0.07 -1.92 -0.01 0.00 1.68 0.00 0.00 54.58 54.39 1zye n ASN 131 Cb 0.98 -0.26 -0.01 0.00 -1.54 0.00 0.00 39.78 38.95 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 1.36 0.48 3.75 7.41 0.00 0.14 -5.00 105.19 113.33 1zye n GLY 132 Ca 0.18 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.05 5.35 -0.18 1.61 1.01 -1.24 -0.43 120.40 124.48 1zye s VAL 133 Ca 0.00 0.39 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 1zye s VAL 133 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 1zye s VAL 133 CO 0.00 0.44 0.97 0.27 0.00 0.00 0.00 175.10 176.78 1zye s ILE 134 N 0.20 4.76 -0.03 2.22 -5.25 -0.62 -0.73 121.20 121.76 1zye s ILE 134 Ca 0.13 1.92 0.19 0.00 -0.99 0.00 0.00 60.65 61.91 1zye s ILE 134 Cb -0.12 -4.26 -0.30 0.00 2.95 0.00 0.00 42.46 40.73 1zye s ILE 134 CO 0.02 -0.07 0.42 0.29 -1.79 0.00 0.00 174.94 173.81 1zye n LYS 135 N 5.65 0.59 -3.67 0.37 4.76 0.11 -2.58 118.16 123.39 1zye n LYS 135 Ca 0.09 -0.17 -0.14 0.00 -2.87 0.00 0.00 58.31 55.21 1zye n LYS 135 Cb 0.48 -1.46 -0.08 0.00 -1.84 0.00 0.00 35.03 32.13 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 -3.32 -0.56 -0.01 2.13 5.04 -1.21 -4.98 115.29 112.39 1zye s HIS 136 Ca -0.07 1.27 0.01 0.00 -1.54 0.00 0.00 55.06 54.73 1zye s HIS 136 Cb 0.12 0.23 0.00 0.00 0.04 0.00 0.00 32.58 32.97 1zye s HIS 136 CO 0.80 -0.35 -0.02 -0.48 -2.34 0.00 0.00 174.74 172.34 1zye s LEU 137 N -0.15 1.81 -0.03 8.88 0.05 -1.26 -1.27 118.68 126.70 1zye s LEU 137 Ca -0.03 -0.05 0.05 0.00 0.05 0.00 0.00 54.13 54.15 1zye s LEU 137 Cb -0.03 -0.17 -0.03 0.00 -2.05 0.00 0.00 46.19 43.91 1zye s LEU 137 CO 0.03 0.00 -0.17 -0.44 -0.55 0.00 0.00 176.35 175.22 1zye s SER 138 N 0.19 3.78 -0.04 1.48 0.01 0.52 -4.95 113.70 114.70 1zye s SER 138 Ca -0.02 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 56.94 1zye s SER 138 Cb -0.04 -0.70 0.03 0.00 0.21 0.00 0.00 66.02 65.51 1zye s SER 138 CO -0.00 0.33 0.04 -0.69 0.41 0.00 0.00 173.24 173.32 1zye s VAL 139 N -0.73 0.01 0.06 3.43 1.01 -1.26 0.20 120.40 123.12 1zye s VAL 139 Ca 0.12 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.46 1zye s VAL 139 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1zye s VAL 139 CO 0.01 0.18 -0.04 0.20 0.00 0.00 0.00 175.10 175.45 1zye s ASN 140 N 1.90 4.77 0.79 3.32 0.01 -0.47 -4.98 114.94 120.28 1zye s ASN 140 Ca 0.02 -0.20 -0.14 0.00 -0.71 0.00 0.00 52.86 51.84 1zye s ASN 140 Cb -0.12 -1.09 0.07 0.00 0.41 0.00 0.00 41.25 40.51 1zye s ASN 140 CO -0.03 0.22 1.21 -0.62 -1.51 0.00 0.00 177.10 176.36 1zye s ASP 141 N -1.93 3.73 0.27 -1.22 2.15 -1.26 -2.27 116.67 116.14 1zye s ASP 141 Ca 0.21 2.36 -0.04 0.00 0.43 0.00 0.00 52.55 55.52 1zye s ASP 141 Cb -0.11 -2.59 0.54 0.00 -0.30 0.00 0.00 42.92 40.46 1zye s ASP 141 CO 0.13 -2.57 1.47 0.18 -0.17 0.00 0.00 175.17 174.21 1zye n LEU 142 N -3.17 -0.25 -0.60 -1.34 4.77 -1.26 -2.84 117.00 112.31 1zye n LEU 142 Ca 0.13 1.61 0.03 0.00 -0.03 0.00 0.00 56.01 57.75 1zye n LEU 142 Cb 0.50 -0.52 0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1zye n LEU 142 CO 0.48 -1.58 0.51 -0.81 -1.33 0.00 0.00 177.39 174.66 1zye n PRO 143 N -5.48 1.73 -4.25 3.23 -0.04 -1.26 -4.88 135.00 124.05 1zye n PRO 143 Ca 0.18 -0.79 -0.25 0.00 -0.04 0.00 0.00 63.50 62.60 1zye n PRO 143 Cb 0.57 -1.40 -0.17 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.62 1.05 0.49 0.52 1.01 -1.13 -5.06 120.40 115.65 1zye s VAL 144 Ca 0.14 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1zye s VAL 144 Cb 0.09 -1.01 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1zye s VAL 144 CO 0.07 0.35 0.99 -0.83 0.00 0.00 0.00 175.10 175.68 1zye s GLY 145 N 1.15 2.26 0.55 4.51 0.00 -1.26 -4.83 107.32 109.70 1zye s GLY 145 Ca -0.05 0.34 -0.13 0.00 0.00 0.00 0.00 44.72 44.88 1zye s GLY 145 CO -0.02 0.63 0.97 0.50 0.00 0.00 0.00 173.10 175.18 1zye s ARG 146 N -3.61 3.74 -0.27 2.90 0.52 -1.26 -5.06 118.95 115.92 1zye s ARG 146 Ca 0.62 0.76 -0.21 0.00 -0.52 0.00 0.00 55.73 56.38 1zye s ARG 146 Cb -0.11 -2.15 -0.02 0.00 0.52 0.00 0.00 34.95 33.19 1zye s ARG 146 CO 0.23 -0.38 0.64 0.45 0.02 0.00 0.00 175.30 176.26 1zye s SER 147 N -3.68 6.58 0.15 0.23 0.15 -1.26 -4.96 113.70 110.91 1zye s SER 147 Ca 0.55 0.67 -0.15 0.00 0.70 0.00 0.00 55.95 57.73 1zye s SER 147 Cb -0.10 -2.34 0.02 0.00 -1.71 0.00 0.00 66.02 61.88 1zye s SER 147 CO 0.43 -0.41 1.70 0.58 1.20 0.00 0.00 173.24 176.74 1zye h VAL 148 N 5.44 1.20 -0.51 4.45 2.07 -1.93 -2.83 116.25 124.14 1zye h VAL 148 Ca -0.26 -0.62 0.10 0.00 0.82 0.00 0.00 66.70 66.73 1zye h VAL 148 Cb 1.12 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 1zye h VAL 148 CO 0.79 0.23 -0.10 -0.33 0.02 0.00 0.00 177.57 178.18 1zye h GLU 149 N 0.60 0.02 -0.76 1.57 4.39 -1.95 -1.43 114.58 117.02 1zye h GLU 149 Ca 0.15 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1zye h GLU 149 Cb 0.19 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1zye h GLU 149 CO -0.01 0.02 0.41 1.49 -1.16 0.00 0.00 179.01 179.76 1zye h GLU 150 N 0.02 1.06 -0.68 2.33 4.57 -1.95 -0.09 114.58 119.85 1zye h GLU 150 Ca 0.25 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 1zye h GLU 150 Cb 0.38 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1zye h GLU 150 CO -0.50 0.79 0.32 1.15 -1.18 0.00 0.00 179.01 179.58 1zye h THR 151 N 1.05 1.23 -0.02 0.32 2.02 -1.19 -0.58 112.91 115.74 1zye h THR 151 Ca 0.27 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.79 1zye h THR 151 Cb 0.04 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1zye h THR 151 CO -0.04 0.27 -0.02 0.25 0.37 0.00 0.00 175.52 176.35 1zye h LEU 152 N 0.95 -0.08 -0.95 2.58 5.85 -0.59 -1.54 115.31 121.53 1zye h LEU 152 Ca 0.23 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.14 1zye h LEU 152 Cb 0.14 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 1zye h LEU 152 CO -0.03 -0.04 0.54 -0.09 -0.34 0.00 0.00 178.44 178.49 1zye h ARG 153 N -0.03 0.70 -0.33 1.25 2.43 -0.71 -2.29 114.38 115.39 1zye h ARG 153 Ca 0.02 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1zye h ARG 153 Cb 0.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1zye h ARG 153 CO -0.05 0.46 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.78 1zye h LEU 154 N 0.72 0.59 0.17 3.80 3.38 -0.64 -1.16 115.31 122.16 1zye h LEU 154 Ca 0.54 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1zye h LEU 154 Cb 0.80 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1zye h LEU 154 CO -0.38 0.77 -0.24 0.58 0.09 0.00 0.00 178.44 179.27 1zye h VAL 155 N 0.39 0.48 -0.45 1.22 2.07 -0.97 -1.94 116.25 117.05 1zye h VAL 155 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1zye h VAL 155 Cb 0.49 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.65 1zye h VAL 155 CO 0.02 0.00 -0.16 0.11 0.02 0.00 0.00 177.57 177.56 1zye h LYS 156 N -0.47 -0.06 -0.93 1.57 1.57 -1.39 -2.24 116.57 114.62 1zye h LYS 156 Ca 0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1zye h LYS 156 Cb 0.46 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.72 1zye h LYS 156 CO -0.09 -0.04 0.59 0.00 -0.57 0.00 0.00 179.45 179.33 1zye h ALA 157 N 1.33 1.31 0.00 3.86 0.00 -0.86 -0.82 119.26 124.09 1zye h ALA 157 Ca 0.22 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1zye h ALA 157 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1zye h ALA 157 CO -0.50 0.32 -0.38 0.74 0.00 0.00 0.00 179.25 179.43 1zye h PHE 158 N 1.04 0.00 -0.08 0.00 0.04 -0.78 -2.30 116.94 114.87 1zye h PHE 158 Ca 0.42 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.13 1zye h PHE 158 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1zye h PHE 158 CO -0.02 0.38 -0.17 1.96 -0.60 0.00 0.00 178.31 179.86 1zye h GLN 159 N 0.00 0.25 -0.27 1.51 4.20 -0.81 -2.63 115.11 117.36 1zye h GLN 159 Ca -0.00 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 58.57 1zye h GLN 159 Cb 0.75 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.51 1zye h GLN 159 CO 0.05 0.77 -0.35 0.35 -0.67 0.00 0.00 178.83 178.98 1zye h PHE 160 N -0.23 -1.07 0.00 2.96 3.04 -1.15 -0.64 116.94 119.86 1zye h PHE 160 Ca -0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1zye h PHE 160 Cb 0.77 0.50 0.00 0.00 2.56 0.00 0.00 35.95 39.78 1zye h PHE 160 CO 0.12 -0.30 0.02 1.55 -2.02 0.00 0.00 178.31 177.67 1zye n VAL 161 N -4.36 1.58 -0.48 1.41 3.14 -0.87 -0.58 118.33 118.16 1zye n VAL 161 Ca -0.02 0.59 0.09 0.00 -2.96 0.00 0.00 64.34 62.04 1zye n VAL 161 Cb 0.21 -1.59 0.28 0.00 -1.06 0.00 0.00 33.84 31.67 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 -1.78 3.16 0.00 1.45 2.13 -0.28 -5.09 120.64 120.24 1zye n GLU 162 Ca -0.01 -2.58 0.00 0.00 0.66 0.00 0.00 57.16 55.23 1zye n GLU 162 Cb 0.03 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.11 1zye n GLU 162 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72