#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 1.55 -1.30 0.55 0.00 -1.26 -4.98 121.76 116.32 1zye s ALA 3 Ca 0.00 -1.69 -0.18 0.00 0.00 0.00 0.00 51.96 50.09 1zye s ALA 3 Cb 0.00 0.61 0.03 0.00 0.00 0.00 0.00 23.12 23.76 1zye s ALA 3 CO 0.00 -0.32 1.92 0.28 0.00 0.00 0.00 175.76 177.64 1zye n VAL 4 N -0.33 3.46 0.00 0.00 0.31 -1.26 -2.09 118.33 118.42 1zye n VAL 4 Ca -0.05 -3.41 0.00 0.00 -0.01 0.00 0.00 64.34 60.87 1zye n VAL 4 Cb 0.64 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 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 6.13 0.00 -2.45 2.52 -2.24 -1.13 -4.94 114.28 112.16 1zye n THR 5 Ca 0.50 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 62.04 1zye n THR 5 Cb 0.44 0.00 0.05 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 2.51 0.30 -0.78 -0.21 -0.89 -4.78 119.66 115.82 1zye s GLN 6 Ca 0.00 -0.42 -0.28 0.00 0.02 0.00 0.00 55.36 54.68 1zye s GLN 6 Cb 0.00 -2.33 -0.09 0.00 1.00 0.00 0.00 33.01 31.59 1zye s GLN 6 CO 0.00 -0.89 1.02 -1.01 -2.12 0.00 0.00 175.29 172.29 1zye s HIS 7 N -2.98 3.64 0.31 0.91 3.76 -1.26 -0.98 115.29 118.70 1zye s HIS 7 Ca 0.57 1.76 -0.29 0.00 -0.15 0.00 0.00 55.06 56.95 1zye s HIS 7 Cb -0.10 -3.11 -0.10 0.00 1.11 0.00 0.00 32.58 30.38 1zye s HIS 7 CO 0.42 -0.16 1.28 0.00 -0.85 0.00 0.00 174.74 175.42 1zye s ALA 8 N -1.36 3.49 0.39 -1.40 0.00 -0.14 -4.81 121.76 117.94 1zye s ALA 8 Ca 0.47 1.19 -0.26 0.00 0.00 0.00 0.00 51.96 53.36 1zye s ALA 8 Cb -0.26 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.29 1zye s ALA 8 CO 0.33 -0.55 1.20 -2.30 0.00 0.00 0.00 175.76 174.43 1zye n PRO 9 N 1.11 1.81 -1.80 0.00 -0.02 -1.26 -4.92 135.00 129.92 1zye n PRO 9 Ca 0.01 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.75 1zye n PRO 9 Cb 0.42 -2.25 0.04 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.17 2.30 -0.02 6.00 5.04 -1.26 -4.96 117.35 123.27 1zye s TYR 10 Ca 0.60 1.39 -0.03 0.00 -2.44 0.00 0.00 57.07 56.58 1zye s TYR 10 Cb -0.55 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 37.98 1zye s TYR 10 CO 0.59 -2.85 0.08 -0.59 -1.34 0.00 0.00 175.55 171.45 1zye s PHE 11 N -1.32 -0.04 0.08 4.97 -0.12 -1.26 -5.00 117.98 115.29 1zye s PHE 11 Ca 0.72 0.10 0.03 0.00 -0.05 0.00 0.00 56.93 57.73 1zye s PHE 11 Cb -0.40 -0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 41.96 1zye s PHE 11 CO 0.47 -0.10 -0.10 0.21 -0.05 0.00 0.00 175.22 175.65 1zye s LYS 12 N -0.34 0.74 0.00 1.99 2.20 -1.26 -1.42 119.74 121.65 1zye s LYS 12 Ca -0.04 -1.01 0.00 0.00 -0.36 0.00 0.00 55.97 54.56 1zye s LYS 12 Cb -0.03 -0.50 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 1zye s LYS 12 CO 0.00 0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1zye n GLY 13 N 0.94 2.27 3.71 5.54 0.00 -0.82 -4.99 105.19 111.84 1zye n GLY 13 Ca -0.19 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 2.94 0.28 2.61 2.01 -1.26 -1.92 115.64 118.30 1zye s THR 14 Ca 0.00 0.65 0.12 0.00 0.31 0.00 0.00 61.69 62.77 1zye s THR 14 Cb 0.00 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1zye s THR 14 CO 0.00 0.04 -0.18 0.00 -0.69 0.00 0.00 174.62 173.80 1zye s ALA 15 N 1.30 2.80 -0.70 7.40 0.00 -0.10 -0.92 121.76 131.54 1zye s ALA 15 Ca 0.68 -1.88 -0.20 0.00 0.00 0.00 0.00 51.96 50.57 1zye s ALA 15 Cb -0.40 -0.29 0.10 0.00 0.00 0.00 0.00 23.12 22.53 1zye s ALA 15 CO 0.31 0.26 0.89 0.08 0.00 0.00 0.00 175.76 177.31 1zye s VAL 16 N -2.50 4.67 -0.10 0.00 1.01 0.12 -0.66 120.40 122.93 1zye s VAL 16 Ca 0.30 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1zye s VAL 16 Cb -0.05 -4.62 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 1zye s VAL 16 CO 0.16 -1.33 0.25 0.58 0.00 0.00 0.00 175.10 174.76 1zye h VAL 17 N 5.86 0.43 0.00 2.92 2.07 -1.22 -2.49 116.25 123.83 1zye h VAL 17 Ca -0.17 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1zye h VAL 17 Cb 1.06 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1zye h VAL 17 CO 1.11 0.14 0.00 -1.20 0.02 0.00 0.00 177.57 177.65 1zye n SER 18 N -4.77 0.00 -1.01 0.57 7.64 -1.26 -4.64 113.62 110.15 1zye n SER 18 Ca -0.03 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.93 1zye n SER 18 Cb 0.13 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.58 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 4.57 3.19 3.33 0.23 0.00 -1.26 -4.91 105.19 110.33 1zye n GLY 19 Ca 0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.86 1.28 0.08 1.61 2.02 -1.26 -5.13 118.70 115.44 1zye s GLU 20 Ca 0.38 -1.45 -0.29 0.00 0.02 0.00 0.00 54.97 53.63 1zye s GLU 20 Cb 0.26 -1.26 -0.05 0.00 0.10 0.00 0.00 34.13 33.17 1zye s GLU 20 CO 0.16 0.24 0.94 -0.06 0.02 0.00 0.00 175.26 176.56 1zye s PHE 21 N -2.29 3.77 -0.06 1.61 0.08 -1.26 -0.70 117.98 119.12 1zye s PHE 21 Ca 0.17 1.74 -0.03 0.00 0.12 0.00 0.00 56.93 58.92 1zye s PHE 21 Cb -0.04 -3.04 0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1zye s PHE 21 CO 0.07 0.17 0.15 0.21 -0.10 0.00 0.00 175.22 175.71 1zye s LYS 22 N 0.21 0.12 0.08 0.44 2.20 0.16 -4.89 119.74 118.06 1zye s LYS 22 Ca 0.47 0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 56.10 1zye s LYS 22 Cb -0.22 -0.11 -0.09 0.00 -1.51 0.00 0.00 37.83 35.90 1zye s LYS 22 CO 0.29 -0.13 1.68 -1.21 -0.36 0.00 0.00 175.35 175.62 1zye s GLU 23 N 0.89 4.19 0.02 4.03 0.41 -1.26 -0.92 118.70 126.05 1zye s GLU 23 Ca -0.07 2.38 0.02 0.00 -0.41 0.00 0.00 54.97 56.89 1zye s GLU 23 Cb -0.09 -3.57 -0.01 0.00 -1.78 0.00 0.00 34.13 28.68 1zye s GLU 23 CO -0.04 -0.74 -0.08 0.96 -0.49 0.00 0.00 175.26 174.86 1zye s ILE 24 N 2.57 0.57 0.19 -1.63 -4.36 -0.81 -4.94 121.20 112.79 1zye s ILE 24 Ca 0.75 -0.66 0.00 0.00 -0.26 0.00 0.00 60.65 60.48 1zye s ILE 24 Cb -0.41 -0.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.71 1zye s ILE 24 CO 0.33 -0.08 0.08 -0.94 0.24 0.00 0.00 174.94 174.57 1zye s SER 25 N -0.81 0.63 0.43 4.36 1.04 -1.26 -1.95 113.70 116.13 1zye s SER 25 Ca -0.03 -1.31 0.17 0.00 0.48 0.00 0.00 55.95 55.27 1zye s SER 25 Cb -0.06 0.26 1.09 0.00 0.10 0.00 0.00 66.02 67.41 1zye s SER 25 CO 0.00 -0.74 1.88 0.25 0.98 0.00 0.00 173.24 175.61 1zye h LEU 26 N 2.63 0.39 -1.81 2.42 5.85 -1.61 -2.33 115.31 120.84 1zye h LEU 26 Ca -0.36 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1zye h LEU 26 Cb 1.23 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1zye h LEU 26 CO 0.58 0.17 -0.09 0.44 -0.34 0.00 0.00 178.44 179.20 1zye h ASP 27 N 0.40 0.01 0.35 1.25 3.32 -1.96 -2.03 116.42 117.75 1zye h ASP 27 Ca 0.43 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1zye h ASP 27 Cb 1.08 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1zye h ASP 27 CO -0.15 0.10 0.00 0.47 -1.72 0.00 0.00 179.24 177.94 1zye n ASP 28 N -4.43 0.04 -0.53 6.45 9.92 -0.88 -1.72 116.55 125.41 1zye n ASP 28 Ca -0.03 0.51 0.06 0.00 -0.53 0.00 0.00 54.79 54.80 1zye n ASP 28 Cb 0.17 -0.52 0.08 0.00 -0.64 0.00 0.00 41.12 40.21 1zye n ASP 28 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1zye n PHE 29 N -1.54 0.12 -1.56 1.24 3.72 -0.76 -4.96 117.46 113.71 1zye n PHE 29 Ca 0.02 -0.12 -0.54 0.00 -0.05 0.00 0.00 57.45 56.77 1zye n PHE 29 Cb 0.12 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.65 0.79 -0.98 -1.08 3.00 -0.70 -0.56 118.16 119.29 1zye n LYS 30 Ca 0.08 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1zye n LYS 30 Cb 0.33 -1.87 0.00 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 2.18 0.33 3.34 3.14 0.00 0.57 -5.00 105.19 109.75 1zye n GLY 31 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.76 1.29 0.09 1.61 1.02 0.28 -4.77 119.74 118.50 1zye s LYS 32 Ca 0.00 -1.40 -0.29 0.00 0.02 0.00 0.00 55.97 54.30 1zye s LYS 32 Cb 0.00 -1.41 -0.06 0.00 -0.52 0.00 0.00 37.83 35.84 1zye s LYS 32 CO 0.00 0.29 0.91 0.71 -0.92 0.00 0.00 175.35 176.35 1zye s TYR 33 N -1.90 3.79 -0.12 3.18 1.51 -0.55 -2.65 117.35 120.61 1zye s TYR 33 Ca 0.15 1.72 0.03 0.00 -1.01 0.00 0.00 57.07 57.96 1zye s TYR 33 Cb -0.06 -3.00 0.01 0.00 -0.11 0.00 0.00 41.96 38.79 1zye s TYR 33 CO 0.07 0.21 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.35 1zye s LEU 34 N 0.03 2.00 -0.55 -1.29 0.20 0.44 0.81 118.68 120.32 1zye s LEU 34 Ca 0.45 -0.54 -0.14 0.00 0.69 0.00 0.00 54.13 54.59 1zye s LEU 34 Cb -0.23 -1.33 0.13 0.00 -0.43 0.00 0.00 46.19 44.34 1zye s LEU 34 CO 0.28 0.08 0.48 -0.69 -0.29 0.00 0.00 176.35 176.21 1zye s VAL 35 N 0.75 4.98 -0.21 1.68 1.01 0.35 -0.80 120.40 128.16 1zye s VAL 35 Ca -0.10 -1.66 -0.18 0.00 0.00 0.00 0.00 61.98 60.04 1zye s VAL 35 Cb -0.16 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1zye s VAL 35 CO 0.01 -0.86 0.49 -0.22 0.00 0.00 0.00 175.10 174.51 1zye s LEU 36 N 1.41 4.14 0.02 3.92 2.96 -0.14 -1.79 118.68 129.19 1zye s LEU 36 Ca 0.05 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 54.58 1zye s LEU 36 Cb -0.27 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 1zye s LEU 36 CO 0.01 -0.17 -0.05 0.72 -1.32 0.00 0.00 176.35 175.54 1zye s PHE 37 N 1.64 0.43 0.12 5.38 -0.71 -0.84 0.70 117.98 124.71 1zye s PHE 37 Ca 0.22 -0.29 0.06 0.00 -1.04 0.00 0.00 56.93 55.88 1zye s PHE 37 Cb -0.15 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.34 1zye s PHE 37 CO 0.09 -0.06 -0.02 -0.06 -1.34 0.00 0.00 175.22 173.83 1zye s PHE 38 N -0.76 2.90 0.03 3.49 0.40 0.12 0.13 117.98 124.30 1zye s PHE 38 Ca -0.05 -0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.15 1zye s PHE 38 Cb -0.06 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 1zye s PHE 38 CO -0.00 0.48 0.07 1.52 0.70 0.00 0.00 175.22 177.99 1zye s TYR 39 N -1.42 0.23 0.00 0.36 1.13 -0.38 -3.69 117.35 113.57 1zye s TYR 39 Ca 0.25 -0.53 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 1zye s TYR 39 Cb -0.11 -0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.59 1zye s TYR 39 CO 0.18 -0.34 0.60 -2.30 -2.51 0.00 0.00 175.55 171.18 1zye n PRO 40 N 0.86 0.00 -3.87 -3.49 -0.02 -1.22 -4.33 135.00 122.93 1zye n PRO 40 Ca -0.19 0.28 -0.11 0.00 -2.02 0.00 0.00 63.50 61.45 1zye n PRO 40 Cb 0.58 -1.10 -0.11 0.00 -0.02 0.00 0.00 33.50 32.85 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 -2.04 1.62 0.80 2.45 1.43 -1.26 -4.18 118.68 117.50 1zye s LEU 41 Ca 0.00 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 1zye s LEU 41 Cb 0.00 0.54 0.08 0.00 0.03 0.00 0.00 46.19 46.84 1zye s LEU 41 CO 0.00 -0.26 1.16 -1.81 0.23 0.00 0.00 176.35 175.67 1zye s ASP 42 N -0.94 3.81 -1.85 2.29 1.01 -1.26 -3.80 116.67 115.93 1zye s ASP 42 Ca -0.10 2.20 0.00 0.00 0.71 0.00 0.00 52.55 55.36 1zye s ASP 42 Cb -0.06 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1zye s ASP 42 CO 0.01 -2.51 0.00 0.49 0.21 0.00 0.00 175.17 173.36 1zye n PHE 43 N -3.38 -0.13 -3.89 4.23 3.72 -1.26 -4.98 117.46 111.77 1zye n PHE 43 Ca 0.12 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.18 1zye n PHE 43 Cb 0.51 -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 -2.70 5.45 0.38 4.37 -4.23 -1.25 -5.00 115.64 112.66 1zye s THR 44 Ca 0.00 -0.04 0.16 0.00 -1.18 0.00 0.00 61.69 60.63 1zye s THR 44 Cb 0.00 -3.50 0.15 0.00 1.34 0.00 0.00 72.50 70.49 1zye s THR 44 CO 0.00 0.41 1.90 -0.26 -0.54 0.00 0.00 174.62 176.13 1zye h PHE 45 N 4.15 0.00 0.09 3.99 0.04 -1.93 -3.24 116.94 120.03 1zye h PHE 45 Ca -0.51 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.01 1zye h PHE 45 Cb 1.20 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.35 1zye h PHE 45 CO 0.69 0.28 -1.16 0.28 -0.60 0.00 0.00 178.31 177.81 1zye h VAL 46 N 0.00 1.52 0.01 -0.55 2.07 -1.96 -3.40 116.25 113.94 1zye h VAL 46 Ca -0.00 -3.03 -0.20 0.00 0.82 0.00 0.00 66.70 64.28 1zye h VAL 46 Cb 0.54 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1zye h VAL 46 CO 0.04 0.88 -0.90 0.00 0.02 0.00 0.00 177.57 177.61 1zye h PRO 48 N 0.11 1.12 -0.61 0.00 0.13 -1.78 -2.82 132.00 128.15 1zye h PRO 48 Ca -0.05 -0.31 0.08 0.00 -0.87 0.00 0.00 66.00 64.85 1zye h PRO 48 Cb 1.54 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.48 1zye h PRO 48 CO 0.14 1.03 0.27 1.79 -0.23 0.00 0.00 178.00 180.99 1zye h THR 49 N 1.04 0.84 -0.47 1.56 1.35 -1.90 0.37 112.91 115.69 1zye h THR 49 Ca 0.20 -0.17 -0.12 0.00 -0.55 0.00 0.00 66.41 65.77 1zye h THR 49 Cb 0.46 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 1zye h THR 49 CO 0.02 0.09 -0.19 -0.08 -0.25 0.00 0.00 175.52 175.11 1zye h GLU 50 N 0.49 0.94 -0.35 4.72 4.81 -1.80 -1.00 114.58 122.38 1zye h GLU 50 Ca 0.29 -0.38 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1zye h GLU 50 Cb 0.31 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1zye h GLU 50 CO -0.26 1.04 -0.08 0.82 -0.73 0.00 0.00 179.01 179.81 1zye h ILE 51 N 0.82 1.28 -0.13 2.32 2.04 -1.30 -2.97 117.51 119.57 1zye h ILE 51 Ca 0.11 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1zye h ILE 51 Cb 0.74 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1zye h ILE 51 CO 0.06 0.37 0.08 0.40 0.00 0.00 0.00 178.15 179.06 1zye h ILE 52 N 0.47 1.06 -0.85 -0.67 2.04 -0.84 -1.63 117.51 117.09 1zye h ILE 52 Ca 0.09 -0.14 0.21 0.00 1.00 0.00 0.00 64.86 66.02 1zye h ILE 52 Cb 0.58 0.92 -0.15 0.00 -0.74 0.00 0.00 36.82 37.43 1zye h ILE 52 CO 0.03 0.05 0.04 0.00 0.00 0.00 0.00 178.15 178.28 1zye h ALA 53 N 1.01 0.97 -0.26 1.87 0.00 -1.19 0.99 119.26 122.66 1zye h ALA 53 Ca 0.05 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1zye h ALA 53 Cb 0.02 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1zye h ALA 53 CO -0.01 -0.47 0.04 0.74 0.00 0.00 0.00 179.25 179.56 1zye h PHE 54 N 0.10 0.47 -0.81 0.00 0.04 -1.23 -2.38 116.94 113.12 1zye h PHE 54 Ca 0.49 -0.06 0.13 0.00 2.80 0.00 0.00 57.97 61.33 1zye h PHE 54 Cb 0.92 -0.13 -0.09 0.00 2.20 0.00 0.00 35.95 38.86 1zye h PHE 54 CO -0.43 0.55 0.41 1.03 -0.60 0.00 0.00 178.31 179.27 1zye h SER 55 N 0.25 0.50 0.00 2.17 0.87 -0.32 0.61 113.55 117.63 1zye h SER 55 Ca 0.08 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1zye h SER 55 Cb 0.33 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1zye h SER 55 CO 0.01 0.22 0.00 0.47 -0.53 0.00 0.00 176.83 177.00 1zye n ASP 56 N -4.88 0.00 0.00 6.23 8.00 0.23 -3.38 116.55 122.76 1zye n ASP 56 Ca 0.16 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.33 1zye n ASP 56 Cb 0.40 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 -1.04 0.00 -0.34 -1.24 4.76 -0.91 -3.94 118.16 115.46 1zye n LYS 57 Ca 0.00 0.18 0.06 0.00 -2.87 0.00 0.00 58.31 55.67 1zye n LYS 57 Cb 0.00 -1.52 0.13 0.00 -1.84 0.00 0.00 35.03 31.80 1zye n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1zye n ALA 58 N -1.15 0.22 -0.26 7.82 0.00 0.20 0.29 120.51 127.63 1zye n ALA 58 Ca 0.00 1.03 -0.02 0.00 0.00 0.00 0.00 53.44 54.45 1zye n ALA 58 Cb 0.02 -0.62 0.09 0.00 0.00 0.00 0.00 19.45 18.95 1zye n ALA 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1zye h SER 59 N 0.00 0.72 -0.99 0.00 4.64 -1.84 -1.37 113.55 114.70 1zye h SER 59 Ca 0.45 0.01 0.27 0.00 -0.47 0.00 0.00 61.79 62.05 1zye h SER 59 Cb 0.68 -0.14 -0.13 0.00 -0.31 0.00 0.00 62.40 62.49 1zye h SER 59 CO -0.97 0.48 0.55 -0.33 -0.87 0.00 0.00 176.83 175.70 1zye h GLU 60 N 0.85 0.45 -0.13 4.77 5.08 -0.48 0.64 114.58 125.76 1zye h GLU 60 Ca 0.30 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1zye h GLU 60 Cb 0.07 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1zye h GLU 60 CO -0.13 0.29 -0.17 0.74 -1.00 0.00 0.00 179.01 178.74 1zye h PHE 61 N 0.46 0.43 -0.41 4.33 -1.00 -1.21 -3.12 116.94 116.41 1zye h PHE 61 Ca 0.67 -0.14 0.07 0.00 2.81 0.00 0.00 57.97 61.38 1zye h PHE 61 Cb 1.37 -0.09 -0.06 0.00 3.61 0.00 0.00 35.95 40.78 1zye h PHE 61 CO -0.03 0.78 0.04 0.45 -1.61 0.00 0.00 178.31 177.94 1zye h HIS 62 N -0.04 0.06 -0.58 -0.55 3.86 -0.22 -0.12 115.15 117.56 1zye h HIS 62 Ca 0.02 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.37 1zye h HIS 62 Cb 0.72 0.04 -0.11 0.00 1.06 0.00 0.00 27.41 29.12 1zye h HIS 62 CO 0.09 -0.04 -0.18 -0.44 0.86 0.00 0.00 177.93 178.23 1zye h ASP 63 N 0.16 -0.65 -0.03 2.45 3.45 -1.10 0.18 116.42 120.88 1zye h ASP 63 Ca 0.20 0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.85 1zye h ASP 63 Cb 0.27 0.40 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1zye h ASP 63 CO -0.30 -0.22 0.00 1.33 -1.57 0.00 0.00 179.24 178.48 1zye n VAL 64 N -5.42 0.12 -3.19 -1.35 0.24 -0.57 -4.87 118.33 103.30 1zye n VAL 64 Ca 0.06 -0.07 -0.15 0.00 -2.04 0.00 0.00 64.34 62.14 1zye n VAL 64 Cb 0.32 -0.42 0.06 0.00 -1.47 0.00 0.00 33.84 32.33 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 -0.03 -4.40 -3.95 -1.34 5.15 0.62 -4.90 115.26 106.41 1zye n ASN 65 Ca 0.01 -0.37 -0.24 0.00 -0.60 0.00 0.00 54.58 53.38 1zye n ASN 65 Cb 0.26 -3.57 -0.17 0.00 -0.53 0.00 0.00 39.78 35.78 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 1.03 3.65 -0.11 0.00 0.41 0.24 -2.90 118.70 121.01 1zye s GLU 67 Ca -0.08 0.36 -0.01 0.00 -0.41 0.00 0.00 54.97 54.83 1zye s GLU 67 Cb -0.15 -2.35 0.03 0.00 -1.78 0.00 0.00 34.13 29.88 1zye s GLU 67 CO -0.00 -0.17 -0.05 0.08 -0.49 0.00 0.00 175.26 174.63 1zye s VAL 68 N -2.63 0.85 -0.16 2.63 1.01 -1.26 -0.50 120.40 120.34 1zye s VAL 68 Ca 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1zye s VAL 68 Cb -0.10 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1zye s VAL 68 CO 0.40 0.28 -0.11 0.54 0.00 0.00 0.00 175.10 176.21 1zye s VAL 69 N 1.77 1.47 0.46 2.92 0.11 -0.74 -3.54 120.40 122.86 1zye s VAL 69 Ca 0.04 -0.72 -0.22 0.00 -2.93 0.00 0.00 61.98 58.16 1zye s VAL 69 Cb -0.13 -1.48 -0.08 0.00 -1.53 0.00 0.00 36.38 33.16 1zye s VAL 69 CO -0.07 0.31 1.08 0.00 -3.33 0.00 0.00 175.10 173.09 1zye s ALA 70 N 1.50 2.93 -0.03 1.54 0.00 -1.02 -1.98 121.76 124.71 1zye s ALA 70 Ca 0.02 0.74 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 1zye s ALA 70 Cb -0.14 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1zye s ALA 70 CO -0.09 -0.42 0.13 0.54 0.00 0.00 0.00 175.76 175.91 1zye s VAL 71 N -1.76 0.04 0.16 0.00 0.11 0.12 -0.89 120.40 118.18 1zye s VAL 71 Ca 0.64 -0.33 -0.10 0.00 -2.93 0.00 0.00 61.98 59.27 1zye s VAL 71 Cb -0.22 -0.29 -0.00 0.00 -1.53 0.00 0.00 36.38 34.33 1zye s VAL 71 CO 0.26 -0.18 0.30 -0.94 -3.33 0.00 0.00 175.10 171.21 1zye s SER 72 N -0.59 0.02 0.00 3.54 1.04 -1.12 -1.25 113.70 115.34 1zye s SER 72 Ca -0.07 -0.81 0.08 0.00 0.48 0.00 0.00 55.95 55.63 1zye s SER 72 Cb -0.04 0.44 0.50 0.00 0.10 0.00 0.00 66.02 67.02 1zye s SER 72 CO 0.01 -0.89 0.94 1.33 0.98 0.00 0.00 173.24 175.61 1zye n VAL 73 N -0.21 0.00 -1.83 5.02 0.24 -1.26 -0.86 118.33 119.43 1zye n VAL 73 Ca -0.08 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.90 1zye n VAL 73 Cb 0.63 -0.84 0.03 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.99 5.74 0.58 -1.34 1.01 -1.26 -3.91 116.67 115.50 1zye s ASP 74 Ca 0.13 1.64 -0.20 0.00 0.71 0.00 0.00 52.55 54.83 1zye s ASP 74 Cb 0.06 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1zye s ASP 74 CO 0.10 -1.20 1.26 -0.94 0.21 0.00 0.00 175.17 174.60 1zye s SER 75 N -3.50 5.15 0.65 0.27 1.04 -1.26 -3.58 113.70 112.47 1zye s SER 75 Ca 0.59 2.54 0.42 0.00 0.48 0.00 0.00 55.95 59.98 1zye s SER 75 Cb -0.14 -2.61 2.26 0.00 0.10 0.00 0.00 66.02 65.63 1zye s SER 75 CO 0.47 -1.63 2.32 1.12 0.98 0.00 0.00 173.24 176.51 1zye h HIS 76 N 1.05 0.00 -0.21 5.02 2.07 -1.93 -1.92 115.15 119.24 1zye h HIS 76 Ca -0.51 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 56.96 1zye h HIS 76 Cb 1.30 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.28 1zye h HIS 76 CO 0.46 0.00 -0.07 0.74 -3.07 0.00 0.00 177.93 175.99 1zye h PHE 77 N 0.00 0.48 -1.00 6.12 0.04 -1.99 -2.00 116.94 118.59 1zye h PHE 77 Ca -0.00 -0.11 0.07 0.00 2.80 0.00 0.00 57.97 60.73 1zye h PHE 77 Cb 0.06 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.03 1zye h PHE 77 CO 0.00 0.69 0.65 0.77 -0.60 0.00 0.00 178.31 179.81 1zye h SER 78 N 0.14 1.04 0.23 2.17 0.02 -1.73 -1.73 113.55 113.68 1zye h SER 78 Ca 0.05 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1zye h SER 78 Cb 0.54 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1zye h SER 78 CO 0.03 0.66 -0.32 0.45 -1.14 0.00 0.00 176.83 176.51 1zye h HIS 79 N 1.17 -0.86 -0.01 3.45 3.86 -1.21 -1.68 115.15 119.88 1zye h HIS 79 Ca 0.43 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1zye h HIS 79 Cb 0.17 0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 1zye h HIS 79 CO -0.00 -0.44 -0.02 1.25 0.86 0.00 0.00 177.93 179.58 1zye h LEU 80 N -0.61 -0.08 -1.86 2.43 5.85 -1.19 -0.78 115.31 119.07 1zye h LEU 80 Ca 0.01 0.01 0.54 0.00 0.84 0.00 0.00 57.88 59.27 1zye h LEU 80 Cb 0.59 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1zye h LEU 80 CO -0.12 -0.02 1.34 0.00 -0.34 0.00 0.00 178.44 179.30 1zye n ALA 81 N -2.65 1.79 0.04 1.25 0.00 -0.66 -0.20 120.51 120.07 1zye n ALA 81 Ca -0.00 0.61 -0.21 0.00 0.00 0.00 0.00 53.44 53.84 1zye n ALA 81 Cb 0.02 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 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 0.55 -0.94 0.00 7.01 -0.38 -2.65 115.95 119.54 1zye h TRP 82 Ca 0.88 -0.40 0.12 0.00 2.11 0.00 0.00 58.89 61.61 1zye h TRP 82 Cb 3.56 -0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 30.51 1zye h TRP 82 CO 0.00 1.44 0.57 0.82 -2.79 0.00 0.00 178.44 178.48 1zye h ILE 83 N -0.29 0.88 0.00 2.65 2.04 0.82 -0.91 117.51 122.70 1zye h ILE 83 Ca -0.22 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1zye h ILE 83 Cb 1.75 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1zye h ILE 83 CO 0.12 0.16 0.00 0.59 0.00 0.00 0.00 178.15 179.03 1zye n ASN 84 N -4.69 0.00 -4.70 1.72 3.02 0.34 -2.34 115.26 108.61 1zye n ASN 84 Ca 0.18 0.15 -0.41 0.00 -0.03 0.00 0.00 54.58 54.47 1zye n ASN 84 Cb 0.36 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 39.12 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 -2.75 4.91 0.30 3.41 2.01 -0.50 -4.95 115.64 118.06 1zye s THR 85 Ca 0.20 1.82 -0.29 0.00 0.31 0.00 0.00 61.69 63.73 1zye s THR 85 Cb 0.17 -4.21 -0.10 0.00 0.01 0.00 0.00 72.50 68.37 1zye s THR 85 CO 0.43 0.14 1.43 -2.84 -0.69 0.00 0.00 174.62 173.09 1zye s PRO 86 N 1.29 4.25 0.28 4.92 0.02 -1.26 -1.43 135.00 143.07 1zye s PRO 86 Ca 0.45 2.36 0.02 0.00 0.02 0.00 0.00 61.00 63.85 1zye s PRO 86 Cb -0.19 -3.06 0.68 0.00 0.02 0.00 0.00 34.50 31.95 1zye s PRO 86 CO 0.21 -0.40 1.68 0.00 -0.33 0.00 0.00 177.00 178.16 1zye h ARG 87 N 4.20 0.31 -0.73 5.54 3.08 -1.85 0.44 114.38 125.36 1zye h ARG 87 Ca -0.48 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 59.72 1zye h ARG 87 Cb 1.22 -0.07 -0.14 0.00 0.08 0.00 0.00 29.97 31.07 1zye h ARG 87 CO 0.72 0.20 -0.11 1.17 -1.07 0.00 0.00 179.97 180.89 1zye n LYS 88 N -5.12 -0.06 -1.76 0.04 4.81 -1.26 -1.10 118.16 113.71 1zye n LYS 88 Ca 0.21 1.13 -0.34 0.00 -0.87 0.00 0.00 58.31 58.44 1zye n LYS 88 Cb 0.63 -1.72 0.05 0.00 0.02 0.00 0.00 35.03 34.01 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 -5.13 6.83 0.00 3.14 3.02 0.12 -4.87 115.26 118.38 1zye n ASN 89 Ca 0.14 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.90 1zye n ASN 89 Cb 0.44 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 -0.72 0.95 0.00 7.41 0.00 -0.26 -4.93 105.19 107.63 1zye n GLY 90 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.24 0.10 -0.02 0.00 -1.08 -4.91 105.19 96.04 1zye n GLY 91 Ca 0.00 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 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 0.82 0.00 0.99 4.77 -0.47 -4.31 117.00 118.80 1zye n LEU 92 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1zye n LEU 92 Cb 0.00 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1zye n LEU 92 CO 0.00 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1zye n GLY 93 N 1.76 -0.47 3.58 -0.72 0.00 -0.51 -4.74 105.19 104.08 1zye n GLY 93 Ca -0.29 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.59 1.08 -4.84 1.61 -0.00 -1.26 -4.61 115.22 106.60 1zye n HIS 94 Ca 0.00 0.65 -0.25 0.00 -0.00 0.00 0.00 57.72 58.12 1zye n HIS 94 Cb 0.00 -2.22 -0.15 0.00 -0.00 0.00 0.00 29.99 27.62 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 -1.70 1.44 0.00 1.57 0.00 -1.26 -5.02 119.30 114.33 1zye s MET 95 Ca 0.60 -0.63 0.14 0.00 0.00 0.00 0.00 55.69 55.81 1zye s MET 95 Cb -0.65 -1.39 -0.06 0.00 0.00 0.00 0.00 34.83 32.73 1zye s MET 95 CO 0.59 0.37 0.71 0.09 0.00 0.00 0.00 175.02 176.78 1zye n ASN 96 N 2.67 1.17 -4.56 1.11 3.02 -1.26 -4.94 115.26 112.46 1zye n ASN 96 Ca -0.15 -1.08 -0.32 0.00 -0.03 0.00 0.00 54.58 52.99 1zye n ASN 96 Cb 0.54 0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 40.28 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 -1.97 3.49 0.31 2.41 -4.36 -1.26 -4.98 121.20 114.84 1zye s ILE 97 Ca 0.09 -0.78 -0.30 0.00 -0.26 0.00 0.00 60.65 59.40 1zye s ILE 97 Cb 0.11 -2.49 -0.12 0.00 1.25 0.00 0.00 42.46 41.22 1zye s ILE 97 CO 0.44 0.43 1.53 0.00 0.24 0.00 0.00 174.94 177.58 1zye n ALA 98 N 1.71 2.26 -3.24 2.27 0.00 -1.23 -4.90 120.51 117.38 1zye n ALA 98 Ca -0.16 0.37 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 1zye n ALA 98 Cb 0.52 -2.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 1zye n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1zye s LEU 99 N -0.81 4.90 -0.07 0.00 1.02 -0.94 -2.43 118.68 120.36 1zye s LEU 99 Ca 0.61 -1.38 -0.23 0.00 0.02 0.00 0.00 54.13 53.16 1zye s LEU 99 Cb -0.51 -1.96 -0.04 0.00 0.02 0.00 0.00 46.19 43.70 1zye s LEU 99 CO 0.53 -0.47 0.67 -0.22 0.02 0.00 0.00 176.35 176.89 1zye s LEU 100 N 1.42 4.32 0.02 1.79 2.96 -0.07 0.12 118.68 129.24 1zye s LEU 100 Ca 0.02 1.16 -0.24 0.00 -0.22 0.00 0.00 54.13 54.85 1zye s LEU 100 Cb -0.22 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 1zye s LEU 100 CO 0.03 -0.09 0.73 -0.55 -1.32 0.00 0.00 176.35 175.14 1zye s SER 101 N 0.71 7.14 -0.61 3.68 0.15 -0.10 -2.79 113.70 121.88 1zye s SER 101 Ca 0.36 1.37 0.06 0.00 0.70 0.00 0.00 55.95 58.43 1zye s SER 101 Cb -0.18 -2.44 0.29 0.00 -1.71 0.00 0.00 66.02 61.98 1zye s SER 101 CO 0.17 0.01 0.84 -0.67 1.20 0.00 0.00 173.24 174.80 1zye n ASP 102 N 2.93 4.08 -0.03 5.45 2.03 -0.04 -4.42 116.55 126.53 1zye n ASP 102 Ca -0.03 -3.56 0.01 0.00 0.52 0.00 0.00 54.79 51.73 1zye n ASP 102 Cb 0.50 -0.62 0.32 0.00 -0.72 0.00 0.00 41.12 40.61 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 3.59 0.55 -0.29 -2.67 6.46 -1.71 -1.54 115.31 119.70 1zye h LEU 103 Ca 0.17 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1zye h LEU 103 Cb 0.59 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1zye h LEU 103 CO 0.83 0.51 0.00 1.07 -0.62 0.00 0.00 178.44 180.23 1zye n THR 104 N -4.36 0.81 -0.38 1.05 5.66 -1.26 -4.86 114.28 110.93 1zye n THR 104 Ca 0.03 0.17 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 1zye n THR 104 Cb 0.16 -0.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.95 1zye n THR 104 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1zye n LYS 105 N -1.87 0.00 -0.24 1.09 5.02 -0.58 -4.84 118.16 116.74 1zye n LYS 105 Ca 0.03 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 1zye n LYS 105 Cb 0.23 -4.12 0.07 0.00 -0.02 0.00 0.00 35.03 31.19 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 0.28 1.11 -0.09 1.97 5.75 -1.89 -1.45 115.11 120.78 1zye h GLN 106 Ca 0.00 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.22 1zye h GLN 106 Cb 0.00 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.39 1zye h GLN 106 CO 0.00 0.97 -0.06 0.82 -2.65 0.00 0.00 178.83 177.90 1zye h ILE 107 N 1.06 1.34 -0.08 2.39 2.04 -1.89 -1.22 117.51 121.15 1zye h ILE 107 Ca 0.22 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 1zye h ILE 107 Cb 0.34 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1zye h ILE 107 CO -0.00 0.32 -0.18 0.28 0.00 0.00 0.00 178.15 178.57 1zye h SER 108 N -0.17 0.12 0.00 1.72 0.02 -1.91 -0.66 113.55 112.67 1zye h SER 108 Ca 0.02 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1zye h SER 108 Cb 0.54 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1zye h SER 108 CO 0.02 0.31 -0.00 -0.09 -1.14 0.00 0.00 176.83 175.92 1zye h ARG 109 N 0.12 -0.00 0.00 3.45 2.43 -1.13 0.14 114.38 119.39 1zye h ARG 109 Ca 0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1zye h ARG 109 Cb 0.39 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1zye h ARG 109 CO 0.03 0.26 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.13 1zye h ASP 110 N -0.26 0.00 -0.20 -3.80 3.32 -0.40 0.14 116.42 115.22 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 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1zye h ASP 110 CO 0.00 0.17 0.00 -1.22 -1.72 0.00 0.00 179.24 176.47 1zye n TYR 111 N -4.02 0.25 -3.81 4.55 4.02 -0.33 -4.47 117.16 113.36 1zye n TYR 111 Ca -0.02 -0.13 -0.25 0.00 -0.01 0.00 0.00 57.90 57.49 1zye n TYR 111 Cb 0.25 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.60 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 1.13 -0.35 0.01 2.72 0.00 0.50 -4.86 105.19 104.34 1zye n GLY 112 Ca 0.16 0.15 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 -4.42 0.00 -2.62 1.61 0.24 0.42 -5.03 118.33 108.53 1zye n VAL 113 Ca -0.19 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.19 1zye n VAL 113 Cb 0.63 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.98 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 -0.52 3.58 -0.23 1.34 2.96 -0.77 -0.83 118.68 124.20 1zye s LEU 114 Ca 0.00 0.14 -0.28 0.00 -0.22 0.00 0.00 54.13 53.77 1zye s LEU 114 Cb 0.00 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 1zye s LEU 114 CO 0.01 -1.39 2.02 -0.76 -1.32 0.00 0.00 176.35 174.91 1zye s LEU 115 N 4.70 3.57 0.46 -0.68 1.02 -0.71 -4.82 118.68 122.22 1zye s LEU 115 Ca 0.42 1.74 0.26 0.00 0.02 0.00 0.00 54.13 56.58 1zye s LEU 115 Cb -0.08 -3.52 0.85 0.00 0.02 0.00 0.00 46.19 43.46 1zye s LEU 115 CO 0.26 -1.76 1.79 -0.33 0.02 0.00 0.00 176.35 176.33 1zye h GLU 116 N 13.72 0.00 0.25 1.70 4.39 -1.94 0.14 114.58 132.84 1zye h GLU 116 Ca -0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1zye h GLU 116 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1zye h GLU 116 CO 0.98 0.11 -0.12 0.78 -1.16 0.00 0.00 179.01 179.61 1zye h GLY 117 N 2.70 -0.35 1.47 -3.84 0.00 -1.95 -3.30 103.07 97.80 1zye h GLY 117 Ca -0.00 0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 1zye h GLY 117 CO 0.01 -0.13 -0.90 -0.56 0.00 0.00 0.00 176.54 174.97 1zye h PRO 118 N -0.37 0.00 -1.38 4.80 0.13 -1.99 -3.49 132.00 129.71 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 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1zye h PRO 118 CO 0.06 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 178.56 1zye n GLY 119 N 1.28 0.61 3.20 1.56 0.00 0.47 -5.10 105.19 107.22 1zye n GLY 119 Ca -0.03 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.38 1.55 0.40 0.99 2.34 -1.13 -4.94 118.68 116.51 1zye s LEU 120 Ca 0.00 -0.78 -0.18 0.00 0.06 0.00 0.00 54.13 53.23 1zye s LEU 120 Cb 0.00 0.87 -0.10 0.00 -0.56 0.00 0.00 46.19 46.40 1zye s LEU 120 CO 0.00 -0.73 0.86 0.00 -1.06 0.00 0.00 176.35 175.42 1zye s ALA 121 N -3.90 3.17 1.02 1.48 0.00 -1.26 -1.74 121.76 120.53 1zye s ALA 121 Ca 0.09 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 1zye s ALA 121 Cb 0.05 -2.97 0.20 0.00 0.00 0.00 0.00 23.12 20.40 1zye s ALA 121 CO -0.08 0.16 1.13 -0.51 0.00 0.00 0.00 175.76 176.46 1zye s LEU 122 N -3.24 1.55 -1.46 0.00 1.43 -0.01 -3.41 118.68 113.55 1zye s LEU 122 Ca 0.58 0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 54.49 1zye s LEU 122 Cb -0.10 -3.00 0.03 0.00 0.03 0.00 0.00 46.19 43.15 1zye s LEU 122 CO 0.18 -3.19 2.47 0.54 0.23 0.00 0.00 176.35 176.57 1zye n ARG 123 N -4.18 3.67 -3.42 1.70 1.74 -0.67 -4.20 116.66 111.31 1zye n ARG 123 Ca 0.08 -2.81 -0.32 0.00 -0.77 0.00 0.00 57.85 54.04 1zye n ARG 123 Cb 0.59 -2.91 -0.05 0.00 -1.02 0.00 0.00 32.46 29.06 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 1.81 2.26 -0.01 -0.13 0.00 -1.24 -2.24 107.32 107.77 1zye s GLY 124 Ca 0.55 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.00 1zye s GLY 124 CO -0.06 -0.16 -0.04 -2.27 0.00 0.00 0.00 173.10 170.57 1zye s LEU 125 N -2.84 1.85 -0.06 0.66 0.20 0.91 0.16 118.68 119.56 1zye s LEU 125 Ca 0.47 -0.09 0.03 0.00 0.69 0.00 0.00 54.13 55.23 1zye s LEU 125 Cb -0.11 -0.27 0.01 0.00 -0.43 0.00 0.00 46.19 45.38 1zye s LEU 125 CO 0.22 0.03 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.81 1zye s PHE 126 N 0.10 1.52 -0.39 5.38 0.08 0.22 -1.46 117.98 123.42 1zye s PHE 126 Ca -0.01 -0.51 -0.14 0.00 0.12 0.00 0.00 56.93 56.39 1zye s PHE 126 Cb -0.04 -1.07 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 1zye s PHE 126 CO -0.00 -0.23 0.27 0.42 -0.10 0.00 0.00 175.22 175.58 1zye s ILE 127 N 0.41 5.13 -0.19 0.64 1.01 -0.38 -0.97 121.20 126.85 1zye s ILE 127 Ca -0.10 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1zye s ILE 127 Cb -0.14 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 1zye s ILE 127 CO 0.03 -0.26 -0.09 -0.63 0.00 0.00 0.00 174.94 174.00 1zye s ILE 128 N 1.66 3.11 0.69 2.92 1.01 0.02 -0.25 121.20 130.35 1zye s ILE 128 Ca 0.05 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 1zye s ILE 128 Cb -0.19 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1zye s ILE 128 CO 0.09 0.47 1.06 1.51 0.00 0.00 0.00 174.94 178.08 1zye s ASP 129 N 1.12 5.55 0.59 3.58 1.47 0.10 -0.42 116.67 128.66 1zye s ASP 129 Ca 0.01 1.40 0.34 0.00 1.18 0.00 0.00 52.55 55.48 1zye s ASP 129 Cb -0.14 -2.29 1.20 0.00 -0.34 0.00 0.00 42.92 41.34 1zye s ASP 129 CO -0.02 -1.31 1.41 1.55 0.68 0.00 0.00 175.17 177.49 1zye h PRO 130 N -0.63 0.00 -0.38 2.11 0.13 -1.81 0.82 132.00 132.25 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1zye h PRO 130 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 1zye n ASN 131 N -3.49 2.01 -1.73 1.44 4.13 -1.26 -0.32 115.26 116.05 1zye n ASN 131 Ca 0.29 -2.00 -0.14 0.00 1.68 0.00 0.00 54.58 54.41 1zye n ASN 131 Cb 1.65 -0.25 0.01 0.00 -1.54 0.00 0.00 39.78 39.64 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 1.09 -0.15 3.69 7.41 0.00 0.29 -4.99 105.19 112.52 1zye n GLY 132 Ca 0.13 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.78 5.18 -0.13 1.61 1.01 -1.23 -0.96 120.40 123.09 1zye s VAL 133 Ca 0.08 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 1zye s VAL 133 Cb -0.03 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1zye s VAL 133 CO 0.09 0.44 1.10 0.27 0.00 0.00 0.00 175.10 177.00 1zye s ILE 134 N 0.45 4.55 -0.65 2.22 -5.25 -0.15 -0.73 121.20 121.65 1zye s ILE 134 Ca 0.06 1.85 0.20 0.00 -0.99 0.00 0.00 60.65 61.77 1zye s ILE 134 Cb -0.12 -4.19 -0.25 0.00 2.95 0.00 0.00 42.46 40.86 1zye s ILE 134 CO -0.01 -0.06 0.72 0.29 -1.79 0.00 0.00 174.94 174.09 1zye n LYS 135 N 5.63 0.51 -3.60 0.37 4.76 0.66 -2.83 118.16 123.67 1zye n LYS 135 Ca 0.11 -0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 1zye n LYS 135 Cb 0.47 -1.45 -0.07 0.00 -1.84 0.00 0.00 35.03 32.14 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 -3.04 -0.66 -0.02 2.13 5.04 -1.22 -4.99 115.29 112.53 1zye s HIS 136 Ca 0.03 1.47 -0.02 0.00 -1.54 0.00 0.00 55.06 55.00 1zye s HIS 136 Cb 0.14 0.34 0.01 0.00 0.04 0.00 0.00 32.58 33.11 1zye s HIS 136 CO 0.82 -0.41 0.05 -0.48 -2.34 0.00 0.00 174.74 172.39 1zye s LEU 137 N -0.18 1.69 -0.09 8.88 0.05 -1.26 -1.25 118.68 126.53 1zye s LEU 137 Ca -0.02 0.11 0.02 0.00 0.05 0.00 0.00 54.13 54.28 1zye s LEU 137 Cb -0.03 0.16 -0.02 0.00 -2.05 0.00 0.00 46.19 44.25 1zye s LEU 137 CO 0.02 -0.03 -0.15 -0.44 -0.55 0.00 0.00 176.35 175.20 1zye s SER 138 N 0.17 3.91 -0.10 1.48 0.01 -0.54 -4.97 113.70 113.67 1zye s SER 138 Ca -0.01 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1zye s SER 138 Cb -0.02 -1.22 0.02 0.00 0.21 0.00 0.00 66.02 65.01 1zye s SER 138 CO -0.00 0.25 -0.09 -0.69 0.41 0.00 0.00 173.24 173.12 1zye s VAL 139 N -0.15 1.02 0.00 3.43 1.01 -1.26 -0.07 120.40 124.39 1zye s VAL 139 Ca -0.01 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1zye s VAL 139 Cb -0.14 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1zye s VAL 139 CO 0.03 0.35 -0.06 0.20 0.00 0.00 0.00 175.10 175.63 1zye s ASN 140 N 1.38 4.68 0.91 3.32 0.01 -0.95 -4.98 114.94 119.31 1zye s ASN 140 Ca -0.01 -0.13 -0.13 0.00 -0.71 0.00 0.00 52.86 51.87 1zye s ASN 140 Cb -0.14 -1.11 0.02 0.00 0.41 0.00 0.00 41.25 40.43 1zye s ASN 140 CO -0.04 0.28 0.39 -0.67 -1.51 0.00 0.00 177.10 175.55 1zye n ASP 141 N 1.52 -2.04 -0.28 -1.22 -0.08 -1.26 -1.66 116.55 111.52 1zye n ASP 141 Ca -0.15 0.37 0.06 0.00 -1.51 0.00 0.00 54.79 53.56 1zye n ASP 141 Cb 0.53 -1.20 0.16 0.00 2.34 0.00 0.00 41.12 42.95 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 -1.32 -0.52 -2.51 -2.67 3.38 -1.96 -3.00 115.31 106.71 1zye h LEU 142 Ca -0.44 0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1zye h LEU 142 Cb 1.29 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 42.43 1zye h LEU 142 CO 0.35 -0.24 0.09 -0.81 0.09 0.00 0.00 178.44 177.92 1zye n PRO 143 N -5.44 2.66 -3.91 1.13 -0.04 -1.26 -4.89 135.00 123.26 1zye n PRO 143 Ca 0.15 -1.61 -0.27 0.00 -0.04 0.00 0.00 63.50 61.73 1zye n PRO 143 Cb 0.50 -1.82 -0.17 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.85 1.04 0.52 0.52 1.01 -1.13 -5.09 120.40 115.41 1zye s VAL 144 Ca 0.28 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1zye s VAL 144 Cb 0.22 -1.07 -0.07 0.00 0.00 0.00 0.00 36.38 35.47 1zye s VAL 144 CO 0.08 0.35 1.07 -0.83 0.00 0.00 0.00 175.10 175.76 1zye s GLY 145 N 1.70 2.49 0.48 4.51 0.00 -1.26 -4.86 107.32 110.38 1zye s GLY 145 Ca 0.05 0.64 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 1zye s GLY 145 CO -0.08 0.97 0.87 0.50 0.00 0.00 0.00 173.10 175.35 1zye s ARG 146 N -3.37 3.74 -0.26 2.90 0.52 -1.26 -5.08 118.95 116.15 1zye s ARG 146 Ca 0.68 0.58 -0.23 0.00 -0.52 0.00 0.00 55.73 56.25 1zye s ARG 146 Cb -0.18 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 1zye s ARG 146 CO 0.24 -0.22 0.75 0.45 0.02 0.00 0.00 175.30 176.54 1zye s SER 147 N -3.49 6.71 0.25 0.23 0.15 -1.26 -4.94 113.70 111.34 1zye s SER 147 Ca 0.53 0.84 -0.01 0.00 0.70 0.00 0.00 55.95 58.01 1zye s SER 147 Cb -0.10 -2.39 0.29 0.00 -1.71 0.00 0.00 66.02 62.11 1zye s SER 147 CO 0.38 -0.48 1.67 0.58 1.20 0.00 0.00 173.24 176.59 1zye h VAL 148 N 5.46 1.27 -0.11 4.45 2.07 -1.95 -2.62 116.25 124.81 1zye h VAL 148 Ca -0.25 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 65.98 1zye h VAL 148 Cb 1.10 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1zye h VAL 148 CO 0.84 0.43 -0.02 -0.33 0.02 0.00 0.00 177.57 178.50 1zye h GLU 149 N 0.55 0.01 -0.82 1.57 4.39 -1.97 -1.95 114.58 116.36 1zye h GLU 149 Ca 0.08 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.84 1zye h GLU 149 Cb 0.71 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.30 1zye h GLU 149 CO 0.05 0.01 0.49 1.49 -1.16 0.00 0.00 179.01 179.89 1zye h GLU 150 N 0.01 0.87 -0.47 2.33 4.57 -1.90 -0.95 114.58 119.04 1zye h GLU 150 Ca 0.05 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1zye h GLU 150 Cb 0.08 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 1zye h GLU 150 CO -0.11 0.57 0.15 1.15 -1.18 0.00 0.00 179.01 179.59 1zye h THR 151 N 0.89 1.22 -0.45 0.32 2.02 -1.28 -1.49 112.91 114.14 1zye h THR 151 Ca 0.36 -0.75 0.06 0.00 0.77 0.00 0.00 66.41 66.85 1zye h THR 151 Cb 0.19 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1zye h THR 151 CO -0.18 0.27 0.15 0.25 0.37 0.00 0.00 175.52 176.38 1zye h LEU 152 N 0.62 0.15 -0.46 2.58 5.85 -0.87 -1.37 115.31 121.82 1zye h LEU 152 Ca 0.15 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1zye h LEU 152 Cb 0.27 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1zye h LEU 152 CO -0.00 0.12 0.10 -0.09 -0.34 0.00 0.00 178.44 178.23 1zye h ARG 153 N 0.32 0.24 -0.39 1.25 2.43 -0.83 -2.26 114.38 115.13 1zye h ARG 153 Ca 0.21 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1zye h ARG 153 Cb 0.21 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1zye h ARG 153 CO -0.22 0.16 0.24 -0.07 -1.51 0.00 0.00 179.97 178.57 1zye h LEU 154 N 0.24 0.46 0.06 3.80 3.38 -0.85 -0.24 115.31 122.16 1zye h LEU 154 Ca 0.23 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1zye h LEU 154 Cb 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1zye h LEU 154 CO -0.28 0.37 -0.13 0.58 0.09 0.00 0.00 178.44 179.06 1zye h VAL 155 N 0.52 0.69 -0.52 1.22 2.07 -1.04 -1.52 116.25 117.67 1zye h VAL 155 Ca 0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1zye h VAL 155 Cb -0.02 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 1zye h VAL 155 CO -0.03 0.00 0.11 0.11 0.02 0.00 0.00 177.57 177.78 1zye h LYS 156 N -0.25 0.24 -0.87 1.57 1.57 -1.27 -2.23 116.57 115.33 1zye h LYS 156 Ca 0.03 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1zye h LYS 156 Cb 0.28 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1zye h LYS 156 CO -0.09 0.16 0.56 0.00 -0.57 0.00 0.00 179.45 179.51 1zye h ALA 157 N 1.41 1.69 -0.01 3.86 0.00 -0.61 0.12 119.26 125.71 1zye h ALA 157 Ca 0.26 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1zye h ALA 157 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1zye h ALA 157 CO -0.34 0.12 -0.68 0.74 0.00 0.00 0.00 179.25 179.09 1zye h PHE 158 N 0.82 0.10 -0.10 0.00 0.04 -0.77 -2.67 116.94 114.36 1zye h PHE 158 Ca 0.41 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 61.10 1zye h PHE 158 Cb 0.46 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 1zye h PHE 158 CO -0.00 0.73 -0.06 1.96 -0.60 0.00 0.00 178.31 180.33 1zye h GLN 159 N 0.05 0.22 -0.20 1.51 4.20 -0.55 -2.49 115.11 117.84 1zye h GLN 159 Ca -0.01 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1zye h GLN 159 Cb 1.21 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 1zye h GLN 159 CO 0.09 0.60 -0.15 0.35 -0.67 0.00 0.00 178.83 179.05 1zye h PHE 160 N -0.16 -0.48 0.00 2.96 3.04 -0.87 -1.81 116.94 119.62 1zye h PHE 160 Ca 0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1zye h PHE 160 Cb 0.54 0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.28 1zye h PHE 160 CO 0.07 -0.11 0.00 1.55 -2.02 0.00 0.00 178.31 177.81 1zye n VAL 161 N -3.52 1.59 0.49 1.41 3.14 -1.01 -1.07 118.33 119.36 1zye n VAL 161 Ca -0.00 0.43 0.12 0.00 -2.96 0.00 0.00 64.34 61.92 1zye n VAL 161 Cb 0.08 -1.35 0.22 0.00 -1.06 0.00 0.00 33.84 31.73 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 -1.57 2.41 0.00 1.45 2.13 -0.70 -5.10 120.64 119.27 1zye n GLU 162 Ca 0.01 -2.13 0.00 0.00 0.66 0.00 0.00 57.16 55.70 1zye n GLU 162 Cb 0.06 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1zye n GLU 162 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72