#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxs n THR 2 N 0.00 0.00 -3.91 0.00 -2.24 -1.26 -4.68 114.28 102.19 1sxs n THR 2 Ca 0.00 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 1sxs n THR 2 Cb 0.00 1.03 -0.14 0.00 -2.10 0.00 0.00 70.33 69.12 1sxs n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxs s LYS 3 N -1.11 0.07 0.13 -0.78 1.02 -1.26 -1.12 119.74 116.69 1sxs s LYS 3 Ca 0.03 -0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.01 1sxs s LYS 3 Cb 0.04 -0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.22 1sxs s LYS 3 CO 0.15 0.01 0.00 0.00 -0.92 0.00 0.00 175.35 174.59 1sxs s ALA 4 N 0.05 1.01 0.02 5.17 0.00 -0.23 -1.66 121.76 126.12 1sxs s ALA 4 Ca -0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.36 1sxs s ALA 4 Cb -0.01 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.66 1sxs s ALA 4 CO -0.00 -0.36 0.31 0.54 0.00 0.00 0.00 175.76 176.25 1sxs s VAL 5 N -3.81 0.07 -0.06 0.00 0.11 0.86 -1.41 120.40 116.16 1sxs s VAL 5 Ca 0.19 -0.59 -0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1sxs s VAL 5 Cb 0.07 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1sxs s VAL 5 CO -0.00 -0.32 0.15 0.00 -3.33 0.00 0.00 175.10 171.59 1sxs s VAL 7 N 0.99 4.75 -0.07 0.00 1.01 -1.26 -0.77 120.40 125.05 1sxs s VAL 7 Ca -0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 1sxs s VAL 7 Cb -0.10 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1sxs s VAL 7 CO -0.05 0.31 0.56 -0.76 0.00 0.00 0.00 175.10 175.16 1sxs s LEU 8 N 1.59 4.33 0.02 3.92 1.43 0.33 -3.89 118.68 126.41 1sxs s LEU 8 Ca 0.06 1.00 -0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1sxs s LEU 8 Cb -0.15 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 1sxs s LEU 8 CO 0.06 0.02 -0.02 -0.54 0.23 0.00 0.00 176.35 176.10 1sxs s LYS 9 N 0.36 0.32 0.00 1.70 1.02 -0.19 -2.61 119.74 120.33 1sxs s LYS 9 Ca 0.30 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1sxs s LYS 9 Cb -0.17 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 1sxs s LYS 9 CO 0.14 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1sxs n GLY 10 N 1.61 4.98 0.03 -3.33 0.00 -1.24 -1.41 105.19 105.82 1sxs n GLY 10 Ca -0.24 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.59 1sxs n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxs n ASP 11 N 0.00 0.51 0.00 1.61 8.00 -1.26 -4.90 116.55 120.51 1sxs n ASP 11 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1sxs n ASP 11 Cb 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1sxs n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sxs n GLY 12 N 1.44 3.90 0.04 0.44 0.00 -1.26 -5.02 105.19 104.74 1sxs n GLY 12 Ca 0.05 -1.90 0.14 0.00 0.00 0.00 0.00 46.02 44.30 1sxs n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxs n PRO 13 N 0.00 0.34 -2.50 1.61 -0.04 -1.26 -4.87 135.00 128.28 1sxs n PRO 13 Ca 0.00 -0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1sxs n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1sxs n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sxs s VAL 14 N -2.72 4.31 0.15 0.52 1.01 -1.26 -4.35 120.40 118.06 1sxs s VAL 14 Ca 0.22 1.64 -0.15 0.00 0.00 0.00 0.00 61.98 63.69 1sxs s VAL 14 Cb 0.19 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1sxs s VAL 14 CO 0.52 0.05 0.40 0.00 0.00 0.00 0.00 175.10 176.08 1sxs s GLN 15 N 1.73 1.17 0.00 2.72 -2.07 -0.87 -3.72 119.66 118.62 1sxs s GLN 15 Ca 0.56 -0.87 0.00 0.00 -1.82 0.00 0.00 55.36 53.22 1sxs s GLN 15 Cb -0.25 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 1sxs s GLN 15 CO 0.24 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 174.16 1sxs n GLY 16 N -0.25 -0.24 2.96 2.60 0.00 -1.07 -0.33 105.19 108.86 1sxs n GLY 16 Ca -0.12 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 1sxs n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sxs s THR 17 N -2.00 1.02 -0.12 2.61 2.01 -1.02 0.12 115.64 118.27 1sxs s THR 17 Ca 0.00 -0.36 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1sxs s THR 17 Cb 0.00 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1sxs s THR 17 CO 0.00 0.35 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.54 1sxs s ILE 18 N 1.12 3.31 0.03 1.82 -1.09 0.05 -2.82 121.20 123.62 1sxs s ILE 18 Ca -0.06 -0.58 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 1sxs s ILE 18 Cb -0.14 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 1sxs s ILE 18 CO -0.02 0.53 -0.06 -1.00 -1.23 0.00 0.00 174.94 173.16 1sxs s HIS 19 N 0.10 2.88 -0.05 3.97 3.76 0.58 -0.56 115.29 125.97 1sxs s HIS 19 Ca -0.04 -0.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.85 1sxs s HIS 19 Cb -0.14 -1.58 -0.00 0.00 1.11 0.00 0.00 32.58 31.97 1sxs s HIS 19 CO 0.04 0.39 -0.18 -0.06 -0.85 0.00 0.00 174.74 174.09 1sxs s PHE 20 N -1.06 1.81 -0.02 1.40 0.40 -0.50 -0.32 117.98 119.68 1sxs s PHE 20 Ca 0.19 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1sxs s PHE 20 Cb -0.11 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.21 1sxs s PHE 20 CO 0.10 -0.20 -0.03 -2.00 0.70 0.00 0.00 175.22 173.78 1sxs s GLU 21 N 0.12 0.47 -0.47 0.44 2.12 0.43 -1.07 118.70 120.74 1sxs s GLU 21 Ca -0.06 -0.08 -0.28 0.00 0.36 0.00 0.00 54.97 54.90 1sxs s GLU 21 Cb -0.13 -0.52 0.03 0.00 0.26 0.00 0.00 34.13 33.77 1sxs s GLU 21 CO 0.03 -0.01 1.10 0.00 -0.54 0.00 0.00 175.26 175.84 1sxs s ALA 22 N 0.46 3.17 -0.28 6.30 0.00 -0.27 -0.71 121.76 130.43 1sxs s ALA 22 Ca -0.05 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1sxs s ALA 22 Cb -0.08 -3.85 0.07 0.00 0.00 0.00 0.00 23.12 19.25 1sxs s ALA 22 CO -0.01 -2.22 -0.04 0.15 0.00 0.00 0.00 175.76 173.65 1sxs s LYS 23 N 4.34 1.78 6.50 0.00 1.02 -0.57 -4.97 119.74 127.85 1sxs s LYS 23 Ca 0.46 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1sxs s LYS 23 Cb -0.08 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1sxs s LYS 23 CO 0.31 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1sxs n GLY 24 N 4.47 1.04 1.14 -3.33 0.00 -1.26 -1.79 105.19 105.46 1sxs n GLY 24 Ca -0.08 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.47 1sxs n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sxs n ASP 25 N 6.83 3.66 -4.78 1.61 8.00 -1.26 -4.97 116.55 125.64 1sxs n ASP 25 Ca 0.00 -2.02 -0.31 0.00 0.71 0.00 0.00 54.79 53.17 1sxs n ASP 25 Cb 0.00 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.62 1sxs n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sxs s THR 26 N -1.03 1.36 -0.14 -3.53 -1.32 -0.74 -5.02 115.64 105.22 1sxs s THR 26 Ca 0.41 -1.88 0.01 0.00 -1.21 0.00 0.00 61.69 59.02 1sxs s THR 26 Cb 0.22 -2.24 0.02 0.00 -1.51 0.00 0.00 72.50 68.98 1sxs s THR 26 CO 0.28 0.00 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.84 1sxs s VAL 27 N -2.83 1.63 -0.25 5.08 1.01 -1.23 -1.51 120.40 122.30 1sxs s VAL 27 Ca 0.15 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1sxs s VAL 27 Cb 0.01 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1sxs s VAL 27 CO 0.08 0.47 0.22 -0.69 0.00 0.00 0.00 175.10 175.18 1sxs s VAL 28 N 1.25 5.31 -0.22 2.92 1.01 0.11 -1.76 120.40 129.01 1sxs s VAL 28 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 1sxs s VAL 28 Cb -0.14 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1sxs s VAL 28 CO -0.07 0.29 -0.01 -0.69 0.00 0.00 0.00 175.10 174.61 1sxs s VAL 29 N 1.40 3.64 0.29 2.92 1.01 0.84 -0.43 120.40 130.08 1sxs s VAL 29 Ca 0.09 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1sxs s VAL 29 Cb -0.15 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1sxs s VAL 29 CO 0.07 0.40 0.09 0.42 0.00 0.00 0.00 175.10 176.09 1sxs s THR 30 N 1.46 0.70 -5.00 3.92 -4.23 0.57 -0.83 115.64 112.23 1sxs s THR 30 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1sxs s THR 30 Cb -0.14 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1sxs s THR 30 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1sxs n GLY 31 N -0.56 0.45 3.50 3.99 0.00 -1.06 -0.31 105.19 111.20 1sxs n GLY 31 Ca -0.01 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 1sxs n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxs s SER 32 N -4.00 -0.62 -0.05 1.61 1.04 -1.13 -0.37 113.70 110.19 1sxs s SER 32 Ca 0.00 0.69 0.03 0.00 0.48 0.00 0.00 55.95 57.15 1sxs s SER 32 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1sxs s SER 32 CO 0.00 -0.57 -0.15 -0.63 0.98 0.00 0.00 173.24 172.87 1sxs s ILE 33 N -1.12 1.27 0.33 -1.02 1.01 -0.32 -2.43 121.20 118.92 1sxs s ILE 33 Ca -0.11 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.01 1sxs s ILE 33 Cb -0.01 -1.12 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 1sxs s ILE 33 CO 0.09 0.38 -0.04 0.42 0.00 0.00 0.00 174.94 175.78 1sxs s THR 34 N 0.26 1.86 0.00 2.92 -4.23 0.56 -0.28 115.64 116.73 1sxs s THR 34 Ca -0.08 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 1sxs s THR 34 Cb -0.13 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1sxs s THR 34 CO 0.03 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1sxs n GLY 35 N -0.74 0.58 3.94 3.99 0.00 -1.01 -2.05 105.19 109.90 1sxs n GLY 35 Ca -0.05 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1sxs n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxs s LEU 36 N 0.00 4.11 0.47 0.99 1.43 -0.56 -4.26 118.68 120.85 1sxs s LEU 36 Ca 0.00 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 1sxs s LEU 36 Cb 0.00 -3.21 -0.09 0.00 0.03 0.00 0.00 46.19 42.92 1sxs s LEU 36 CO 0.00 -0.21 0.98 0.42 0.23 0.00 0.00 176.35 177.77 1sxs s THR 37 N -2.18 4.24 0.56 5.49 -4.23 -1.26 -3.84 115.64 114.42 1sxs s THR 37 Ca 0.39 1.31 -0.19 0.00 -1.18 0.00 0.00 61.69 62.02 1sxs s THR 37 Cb -0.10 -3.57 -0.07 0.00 1.34 0.00 0.00 72.50 70.10 1sxs s THR 37 CO 0.33 -0.38 0.88 1.21 -0.54 0.00 0.00 174.62 176.13 1sxs n GLU 38 N -0.97 0.90 0.00 3.99 2.13 -1.26 -4.60 120.64 120.83 1sxs n GLU 38 Ca 0.08 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1sxs n GLU 38 Cb 0.54 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1sxs n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxs n GLY 39 N 1.37 -1.67 3.83 8.31 0.00 -0.20 -4.88 105.19 111.95 1sxs n GLY 39 Ca 0.12 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 1sxs n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxs s ASP 40 N -1.44 6.92 -0.02 1.61 1.01 -1.26 -0.77 116.67 122.71 1sxs s ASP 40 Ca 0.00 1.45 -0.00 0.00 0.71 0.00 0.00 52.55 54.71 1sxs s ASP 40 Cb 0.00 -2.44 0.03 0.00 1.01 0.00 0.00 42.92 41.52 1sxs s ASP 40 CO 0.00 -0.18 0.03 -1.00 0.21 0.00 0.00 175.17 174.22 1sxs s HIS 41 N -1.91 0.07 0.54 4.23 3.76 -0.28 -2.83 115.29 118.87 1sxs s HIS 41 Ca 0.54 0.13 -0.21 0.00 -0.15 0.00 0.00 55.06 55.36 1sxs s HIS 41 Cb -0.12 -0.29 -0.06 0.00 1.11 0.00 0.00 32.58 33.23 1sxs s HIS 41 CO 0.18 -0.11 1.18 0.41 -0.85 0.00 0.00 174.74 175.55 1sxs n GLY 42 N 4.30 0.28 2.68 -2.22 0.00 -0.40 -1.07 105.19 108.75 1sxs n GLY 42 Ca -0.25 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 1sxs n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sxs s PHE 43 N -1.35 -0.12 0.10 1.61 5.36 0.38 -0.58 117.98 123.38 1sxs s PHE 43 Ca 0.71 -0.22 0.02 0.00 -0.96 0.00 0.00 56.93 56.48 1sxs s PHE 43 Cb -0.44 -0.56 -0.04 0.00 -0.34 0.00 0.00 43.02 41.63 1sxs s PHE 43 CO 0.50 -0.73 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.45 1sxs s HIS 44 N 2.25 0.90 -0.28 10.12 3.76 -0.77 -2.75 115.29 128.54 1sxs s HIS 44 Ca 0.07 -0.90 -0.15 0.00 -0.15 0.00 0.00 55.06 53.94 1sxs s HIS 44 Cb -0.15 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 32.98 1sxs s HIS 44 CO -0.23 -0.14 0.36 0.08 -0.85 0.00 0.00 174.74 173.96 1sxs s VAL 45 N -3.56 5.18 0.19 -0.90 1.01 0.55 -0.86 120.40 122.02 1sxs s VAL 45 Ca 0.12 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1sxs s VAL 45 Cb 0.05 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1sxs s VAL 45 CO -0.04 0.14 0.40 -1.00 0.00 0.00 0.00 175.10 174.60 1sxs s HIS 46 N 2.04 3.48 0.17 5.22 3.76 0.11 -1.03 115.29 129.04 1sxs s HIS 46 Ca 0.14 0.44 -0.15 0.00 -0.15 0.00 0.00 55.06 55.34 1sxs s HIS 46 Cb -0.16 -1.92 0.09 0.00 1.11 0.00 0.00 32.58 31.70 1sxs s HIS 46 CO 0.10 0.37 1.77 0.37 -0.85 0.00 0.00 174.74 176.50 1sxs h GLN 47 N 2.20 0.38 -5.82 1.40 4.15 -1.03 -2.85 115.11 113.55 1sxs h GLN 47 Ca -0.47 -0.02 -0.66 0.00 0.77 0.00 0.00 58.65 58.26 1sxs h GLN 47 Cb 1.18 -0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.70 1sxs h GLN 47 CO 0.69 0.25 -0.54 -0.06 -1.93 0.00 0.00 178.83 177.25 1sxs s PHE 48 N -6.15 3.42 -0.82 3.99 0.08 -0.21 -4.71 117.98 113.59 1sxs s PHE 48 Ca -0.13 0.36 -0.02 0.00 0.12 0.00 0.00 56.93 57.26 1sxs s PHE 48 Cb 0.13 -1.85 0.30 0.00 -0.57 0.00 0.00 43.02 41.03 1sxs s PHE 48 CO 0.72 0.62 2.12 0.41 -0.10 0.00 0.00 175.22 179.00 1sxs n GLY 49 N 1.71 5.41 3.25 4.36 0.00 -1.02 -3.33 105.19 115.57 1sxs n GLY 49 Ca -0.17 -2.40 -0.42 0.00 0.00 0.00 0.00 46.02 43.03 1sxs n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxs s ASP 50 N -0.88 5.82 -0.23 1.61 -1.08 -1.26 -4.92 116.67 115.72 1sxs s ASP 50 Ca 0.52 -1.81 0.14 0.00 -0.52 0.00 0.00 52.55 50.88 1sxs s ASP 50 Cb 0.41 -2.06 0.76 0.00 -1.46 0.00 0.00 42.92 40.57 1sxs s ASP 50 CO -0.36 -0.71 1.70 -3.20 0.52 0.00 0.00 175.17 173.11 1sxs n ASN 51 N 4.99 5.32 0.20 -0.34 4.05 -1.26 -3.31 115.26 124.91 1sxs n ASN 51 Ca -0.10 -2.98 0.04 0.00 0.45 0.00 0.00 54.58 51.99 1sxs n ASN 51 Cb 0.41 -0.67 0.40 0.00 1.23 0.00 0.00 39.78 41.16 1sxs n ASN 51 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1sxs h THR 52 N 3.47 1.17 -1.27 -0.44 1.35 -1.92 -2.38 112.91 112.88 1sxs h THR 52 Ca 0.02 -1.16 -0.61 0.00 -0.55 0.00 0.00 66.41 64.11 1sxs h THR 52 Cb 1.91 1.64 -0.39 0.00 -1.73 0.00 0.00 68.15 69.58 1sxs h THR 52 CO 0.46 0.32 -0.31 0.00 -0.25 0.00 0.00 175.52 175.75 1sxs n GLN 53 N -4.05 3.31 0.00 4.72 6.02 -1.26 -5.04 117.38 121.08 1sxs n GLN 53 Ca -0.02 -4.11 0.00 0.00 -0.01 0.00 0.00 57.00 52.86 1sxs n GLN 53 Cb 0.38 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.37 1sxs n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sxs n GLY 54 N -0.62 1.34 0.02 1.08 0.00 -0.90 -2.58 105.19 103.52 1sxs n GLY 54 Ca 0.46 -0.68 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1sxs n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxs h THR 56 N 0.07 1.26 0.00 0.00 2.02 -1.82 -2.17 112.91 112.27 1sxs h THR 56 Ca 0.00 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1sxs h THR 56 Cb 0.45 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1sxs h THR 56 CO 0.00 0.41 0.00 -1.54 0.37 0.00 0.00 175.52 174.76 1sxs n SER 57 N -4.13 0.00 0.03 4.18 3.41 -1.24 -3.03 113.62 112.84 1sxs n SER 57 Ca 0.00 -1.37 0.11 0.00 -0.26 0.00 0.00 58.87 57.35 1sxs n SER 57 Cb 0.40 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.80 1sxs n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxs n ALA 58 N -0.70 1.96 0.00 7.33 0.00 -0.82 -4.39 120.51 123.90 1sxs n ALA 58 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1sxs n ALA 58 Cb 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1sxs n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxs n GLY 59 N 0.65 -2.02 2.32 0.00 0.00 -1.17 -1.05 105.19 103.93 1sxs n GLY 59 Ca 0.05 -1.43 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 1sxs n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sxs n PRO 60 N 0.00 -0.80 -2.08 1.61 -0.04 -1.26 -4.67 135.00 127.76 1sxs n PRO 60 Ca 0.00 -1.24 -0.38 0.00 -0.04 0.00 0.00 63.50 61.85 1sxs n PRO 60 Cb 0.00 -0.83 0.01 0.00 -0.04 0.00 0.00 33.50 32.64 1sxs n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sxs s HIS 61 N -2.75 2.68 -0.05 0.54 3.76 -1.26 -1.11 115.29 117.11 1sxs s HIS 61 Ca 0.45 1.47 -0.30 0.00 -0.15 0.00 0.00 55.06 56.53 1sxs s HIS 61 Cb -0.01 -3.55 -0.05 0.00 1.11 0.00 0.00 32.58 30.07 1sxs s HIS 61 CO 0.32 -2.03 1.60 0.12 -0.85 0.00 0.00 174.74 173.90 1sxs s PHE 62 N -1.43 2.16 -0.40 1.40 5.36 -0.20 -4.47 117.98 120.40 1sxs s PHE 62 Ca 0.65 0.32 0.09 0.00 -0.96 0.00 0.00 56.93 57.03 1sxs s PHE 62 Cb -0.34 -3.86 0.27 0.00 -0.34 0.00 0.00 43.02 38.76 1sxs s PHE 62 CO 0.41 -3.55 0.62 -1.71 -1.46 0.00 0.00 175.22 169.54 1sxs n ASN 63 N 6.84 -0.09 0.27 6.13 5.15 -1.26 -1.26 115.26 131.05 1sxs n ASN 63 Ca 0.17 -2.86 0.14 0.00 -0.60 0.00 0.00 54.58 51.43 1sxs n ASN 63 Cb 0.43 -0.29 0.77 0.00 -0.53 0.00 0.00 39.78 40.15 1sxs n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sxs h PRO 64 N 3.75 0.00 -0.60 1.20 0.13 -1.94 -2.73 132.00 131.81 1sxs h PRO 64 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1sxs h PRO 64 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1sxs h PRO 64 CO 0.44 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.59 1sxs n LEU 65 N -3.57 3.21 -3.87 1.56 4.77 -1.26 -4.97 117.00 112.86 1sxs n LEU 65 Ca -0.02 -1.61 -0.30 0.00 -0.03 0.00 0.00 56.01 54.06 1sxs n LEU 65 Cb 0.22 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1sxs n LEU 65 CO 0.29 0.80 -0.17 -1.20 -1.33 0.00 0.00 177.39 175.78 1sxs n SER 66 N 1.26 -2.45 -4.81 -1.43 7.64 -1.03 -5.00 113.62 107.79 1sxs n SER 66 Ca 0.20 -1.04 -0.22 0.00 1.01 0.00 0.00 58.87 58.82 1sxs n SER 66 Cb 0.51 -3.03 0.04 0.00 -1.01 0.00 0.00 64.21 60.71 1sxs n SER 66 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sxs n LYS 67 N -4.38 0.65 -2.68 1.43 5.02 -1.26 -5.12 118.16 111.82 1sxs n LYS 67 Ca -0.21 -3.19 -0.22 0.00 -2.02 0.00 0.00 58.31 52.67 1sxs n LYS 67 Cb 0.64 0.04 0.03 0.00 -0.02 0.00 0.00 35.03 35.73 1sxs n LYS 67 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1sxs s LYS 68 N -4.39 2.67 0.40 1.97 1.02 -1.26 -4.76 119.74 115.40 1sxs s LYS 68 Ca 0.46 -0.62 -0.26 0.00 0.02 0.00 0.00 55.97 55.58 1sxs s LYS 68 Cb -0.04 -2.47 -0.08 0.00 -0.52 0.00 0.00 37.83 34.72 1sxs s LYS 68 CO 0.29 -0.64 1.23 -1.58 -0.92 0.00 0.00 175.35 173.72 1sxs s HIS 69 N -2.76 2.96 0.00 3.18 5.65 -0.35 -3.24 115.29 120.73 1sxs s HIS 69 Ca 0.55 1.50 0.00 0.00 0.25 0.00 0.00 55.06 57.36 1sxs s HIS 69 Cb -0.10 -3.51 0.00 0.00 -1.18 0.00 0.00 32.58 27.79 1sxs s HIS 69 CO 0.39 -1.65 0.00 0.41 -0.65 0.00 0.00 174.74 173.24 1sxs n GLY 70 N 0.66 2.48 3.96 1.59 0.00 -1.25 -4.18 105.19 108.46 1sxs n GLY 70 Ca 0.04 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 1sxs n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sxs s GLY 71 N -1.00 1.70 0.55 -0.02 0.00 -1.22 -4.58 107.32 102.75 1sxs s GLY 71 Ca 0.00 -1.14 0.24 0.00 0.00 0.00 0.00 44.72 43.82 1sxs s GLY 71 CO 0.00 -0.89 2.18 -0.56 0.00 0.00 0.00 173.10 173.83 1sxs h PRO 72 N 0.12 0.00 -0.01 2.90 0.13 -1.89 -1.59 132.00 131.66 1sxs h PRO 72 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1sxs h PRO 72 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1sxs h PRO 72 CO 0.55 0.03 -0.20 1.63 -0.23 0.00 0.00 178.00 179.79 1sxs n LYS 73 N -4.05 0.81 -2.69 0.86 4.76 -1.26 -4.90 118.16 111.69 1sxs n LYS 73 Ca -0.03 -0.42 -0.32 0.00 -2.87 0.00 0.00 58.31 54.67 1sxs n LYS 73 Cb 0.12 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1sxs n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1sxs s ASP 74 N -2.48 6.63 0.08 4.39 1.01 -0.60 -4.96 116.67 120.74 1sxs s ASP 74 Ca 0.26 1.39 -0.14 0.00 0.71 0.00 0.00 52.55 54.77 1sxs s ASP 74 Cb 0.20 -2.43 -0.17 0.00 1.01 0.00 0.00 42.92 41.53 1sxs s ASP 74 CO 0.50 -0.45 1.28 -0.08 0.21 0.00 0.00 175.17 176.62 1sxs h GLU 75 N 1.29 0.72 -5.12 8.23 4.57 -1.90 -3.39 114.58 118.98 1sxs h GLU 75 Ca -0.47 -0.61 -0.66 0.00 -1.18 0.00 0.00 59.36 56.44 1sxs h GLU 75 Cb 1.18 0.13 -0.17 0.00 -0.16 0.00 0.00 28.75 29.74 1sxs h GLU 75 CO 0.63 1.22 0.47 -2.00 -1.18 0.00 0.00 179.01 178.14 1sxs s GLU 76 N -3.70 3.19 0.20 1.92 2.56 -1.26 -4.95 118.70 116.66 1sxs s GLU 76 Ca -0.11 -1.18 -0.20 0.00 0.00 0.00 0.00 54.97 53.48 1sxs s GLU 76 Cb 0.08 -4.37 0.04 0.00 2.00 0.00 0.00 34.13 31.88 1sxs s GLU 76 CO 0.89 -1.72 0.59 -0.98 -0.56 0.00 0.00 175.26 173.47 1sxs s ARG 77 N 3.34 1.41 0.55 4.30 1.70 -1.20 -3.75 118.95 125.31 1sxs s ARG 77 Ca 0.21 -0.74 -0.13 0.00 -0.47 0.00 0.00 55.73 54.60 1sxs s ARG 77 Cb -0.17 0.56 -0.06 0.00 -0.57 0.00 0.00 34.95 34.72 1sxs s ARG 77 CO 0.05 -0.62 0.98 -1.01 -1.08 0.00 0.00 175.30 173.62 1sxs s HIS 78 N -3.83 3.54 0.36 5.89 3.76 -1.20 -4.65 115.29 119.15 1sxs s HIS 78 Ca 0.06 1.33 0.04 0.00 -0.15 0.00 0.00 55.06 56.34 1sxs s HIS 78 Cb -0.02 -2.71 0.68 0.00 1.11 0.00 0.00 32.58 31.64 1sxs s HIS 78 CO -0.05 -0.48 1.99 0.28 -0.85 0.00 0.00 174.74 175.63 1sxs h VAL 79 N 0.36 1.15 0.00 -0.90 2.07 -1.82 -2.13 116.25 114.99 1sxs h VAL 79 Ca -0.46 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1sxs h VAL 79 Cb 1.19 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1sxs h VAL 79 CO 0.62 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.98 1sxs n GLY 80 N -1.33 -0.99 3.45 2.17 0.00 -0.39 -4.54 105.19 103.57 1sxs n GLY 80 Ca 0.05 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1sxs n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxs s ASP 81 N -1.17 6.34 -0.21 1.61 1.01 -0.80 -0.33 116.67 123.12 1sxs s ASP 81 Ca 0.07 -1.39 0.15 0.00 0.71 0.00 0.00 52.55 52.09 1sxs s ASP 81 Cb 0.03 -2.42 0.76 0.00 1.01 0.00 0.00 42.92 42.31 1sxs s ASP 81 CO 0.06 -1.31 1.69 0.18 0.21 0.00 0.00 175.17 176.00 1sxs n LEU 82 N 7.32 5.34 0.00 1.23 4.77 -1.11 -3.71 117.00 130.84 1sxs n LEU 82 Ca 0.07 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 1sxs n LEU 82 Cb 0.47 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1sxs n LEU 82 CO 0.59 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 1sxs n GLY 83 N 0.50 1.43 3.37 -0.72 0.00 -1.23 -4.77 105.19 103.77 1sxs n GLY 83 Ca 0.27 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1sxs n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxs s ASN 84 N -4.00 3.17 0.18 1.61 0.01 -1.26 -0.47 114.94 114.17 1sxs s ASN 84 Ca 0.00 -0.76 0.08 0.00 -0.71 0.00 0.00 52.86 51.47 1sxs s ASN 84 Cb 0.00 -0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.41 1sxs s ASN 84 CO 0.00 0.14 -0.02 0.68 -1.51 0.00 0.00 177.10 176.39 1sxs s VAL 85 N -1.20 3.60 -0.16 1.60 -7.23 -0.24 -4.89 120.40 111.89 1sxs s VAL 85 Ca 0.14 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1sxs s VAL 85 Cb -0.10 -2.81 0.02 0.00 0.56 0.00 0.00 36.38 34.05 1sxs s VAL 85 CO 0.06 -0.13 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.64 1sxs s THR 86 N -1.76 1.99 -0.01 5.32 2.01 -1.26 -1.13 115.64 120.80 1sxs s THR 86 Ca 0.27 -0.91 -0.19 0.00 0.31 0.00 0.00 61.69 61.17 1sxs s THR 86 Cb -0.09 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1sxs s THR 86 CO 0.18 0.53 0.54 0.00 -0.69 0.00 0.00 174.62 175.18 1sxs s ALA 87 N 1.17 3.53 1.05 7.40 0.00 0.05 -4.23 121.76 130.73 1sxs s ALA 87 Ca 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 1sxs s ALA 87 Cb -0.14 -2.66 0.08 0.00 0.00 0.00 0.00 23.12 20.41 1sxs s ALA 87 CO -0.09 0.23 0.36 -0.40 0.00 0.00 0.00 175.76 175.85 1sxs n ASP 88 N 2.56 -0.85 0.25 0.00 5.68 0.29 -1.03 116.55 123.44 1sxs n ASP 88 Ca -0.09 -0.86 0.17 0.00 -0.50 0.00 0.00 54.79 53.52 1sxs n ASP 88 Cb 0.51 -0.31 0.79 0.00 -1.14 0.00 0.00 41.12 40.97 1sxs n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1sxs h LYS 89 N 0.00 0.00 -0.37 0.11 2.10 -1.97 -0.86 116.57 115.58 1sxs h LYS 89 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1sxs h LYS 89 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1sxs h LYS 89 CO 0.09 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.63 1sxs n ASN 90 N -2.79 2.65 0.00 7.07 3.02 -1.26 -4.82 115.26 119.13 1sxs n ASN 90 Ca -0.00 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1sxs n ASN 90 Cb 0.18 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1sxs n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxs n GLY 91 N 1.32 0.56 3.65 7.41 0.00 -0.33 -4.63 105.19 113.18 1sxs n GLY 91 Ca 0.18 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1sxs n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxs s VAL 92 N -2.00 5.15 -0.14 1.61 1.01 -1.26 -1.50 120.40 123.27 1sxs s VAL 92 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 1sxs s VAL 92 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1sxs s VAL 92 CO 0.00 0.39 -0.14 0.00 0.00 0.00 0.00 175.10 175.35 1sxs s ALA 93 N 0.79 2.57 -0.21 5.51 0.00 0.61 -0.55 121.76 130.48 1sxs s ALA 93 Ca 0.06 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 1sxs s ALA 93 Cb -0.13 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 1sxs s ALA 93 CO 0.02 0.15 0.18 0.42 0.00 0.00 0.00 175.76 176.53 1sxs s ILE 94 N 0.52 5.36 -0.20 0.00 -1.09 -1.26 -1.18 121.20 123.35 1sxs s ILE 94 Ca -0.09 0.26 -0.08 0.00 -2.23 0.00 0.00 60.65 58.50 1sxs s ILE 94 Cb -0.16 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1sxs s ILE 94 CO 0.04 0.38 0.09 -0.69 -1.23 0.00 0.00 174.94 173.54 1sxs s VAL 95 N 0.73 4.95 -0.38 2.92 1.01 0.50 -4.74 120.40 125.40 1sxs s VAL 95 Ca 0.09 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1sxs s VAL 95 Cb -0.12 -3.26 0.17 0.00 0.00 0.00 0.00 36.38 33.16 1sxs s VAL 95 CO 0.02 0.42 0.49 -0.62 0.00 0.00 0.00 175.10 175.42 1sxs s ASP 96 N 0.63 -0.15 -0.02 3.32 2.15 -1.24 -2.57 116.67 118.80 1sxs s ASP 96 Ca 0.05 -1.06 0.04 0.00 0.43 0.00 0.00 52.55 52.01 1sxs s ASP 96 Cb -0.13 1.26 -0.01 0.00 -0.30 0.00 0.00 42.92 43.74 1sxs s ASP 96 CO 0.01 -0.23 -0.13 -0.63 -0.17 0.00 0.00 175.17 174.01 1sxs s ILE 97 N 1.77 1.08 -0.19 4.11 1.01 -0.01 -4.98 121.20 124.00 1sxs s ILE 97 Ca 0.16 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 1sxs s ILE 97 Cb -0.10 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1sxs s ILE 97 CO -0.08 0.31 -0.07 -0.69 0.00 0.00 0.00 174.94 174.41 1sxs s VAL 98 N -0.18 3.34 -0.03 2.92 1.01 -1.26 -0.11 120.40 126.09 1sxs s VAL 98 Ca 0.02 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1sxs s VAL 98 Cb -0.07 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1sxs s VAL 98 CO 0.00 0.46 -0.17 -0.62 0.00 0.00 0.00 175.10 174.77 1sxs s ASP 99 N 1.06 2.07 0.00 3.32 2.15 -0.72 -5.01 116.67 119.54 1sxs s ASP 99 Ca 0.01 -0.33 0.27 0.00 0.43 0.00 0.00 52.55 52.92 1sxs s ASP 99 Cb -0.15 -0.47 0.89 0.00 -0.30 0.00 0.00 42.92 42.89 1sxs s ASP 99 CO -0.01 0.17 1.66 -0.81 -0.17 0.00 0.00 175.17 176.01 1sxs n PRO 100 N 3.01 0.36 -0.08 4.34 -0.04 -1.26 -3.50 135.00 137.81 1sxs n PRO 100 Ca -0.17 -0.16 -0.10 0.00 -0.04 0.00 0.00 63.50 63.03 1sxs n PRO 100 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 1sxs n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sxs n LEU 101 N -1.18 1.27 -4.82 1.53 4.77 -1.26 -4.99 117.00 112.32 1sxs n LEU 101 Ca 0.10 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 1sxs n LEU 101 Cb 0.32 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1sxs n LEU 101 CO 0.29 0.57 0.71 0.27 -1.33 0.00 0.00 177.39 177.90 1sxs s ILE 102 N -2.38 3.81 0.31 -0.08 -4.36 -1.26 -4.84 121.20 112.40 1sxs s ILE 102 Ca -0.16 0.59 -0.09 0.00 -0.26 0.00 0.00 60.65 60.73 1sxs s ILE 102 Cb 0.05 -3.35 0.01 0.00 1.25 0.00 0.00 42.46 40.42 1sxs s ILE 102 CO 0.55 -0.77 0.53 -0.55 0.24 0.00 0.00 174.94 174.94 1sxs s SER 103 N -3.86 0.31 -0.02 4.36 0.15 -0.89 -4.68 113.70 109.07 1sxs s SER 103 Ca 0.59 -1.18 0.09 0.00 0.70 0.00 0.00 55.95 56.15 1sxs s SER 103 Cb -0.14 0.66 0.26 0.00 -1.71 0.00 0.00 66.02 65.09 1sxs s SER 103 CO 0.55 -1.29 1.22 0.18 1.20 0.00 0.00 173.24 175.09 1sxs n LEU 104 N -0.48 2.81 -3.54 3.45 4.77 -1.26 -1.67 117.00 121.10 1sxs n LEU 104 Ca -0.02 -2.12 -0.13 0.00 -0.03 0.00 0.00 56.01 53.71 1sxs n LEU 104 Cb 0.61 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1sxs n LEU 104 CO 0.26 0.68 0.61 -0.94 -1.33 0.00 0.00 177.39 176.67 1sxs s SER 105 N -1.14 -0.49 0.00 -1.43 1.04 -1.26 -4.26 113.70 106.16 1sxs s SER 105 Ca 0.20 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1sxs s SER 105 Cb 0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1sxs s SER 105 CO 0.12 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1sxs n GLY 106 N 0.59 -1.80 0.38 7.32 0.00 -1.26 -4.13 105.19 106.29 1sxs n GLY 106 Ca -0.14 -1.69 0.15 0.00 0.00 0.00 0.00 46.02 44.34 1sxs n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sxs h GLU 107 N 0.00 0.45 -0.65 1.61 4.81 -2.01 -1.23 114.58 117.56 1sxs h GLU 107 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1sxs h GLU 107 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1sxs h GLU 107 CO 0.00 0.30 0.00 0.66 -0.73 0.00 0.00 179.01 179.24 1sxs n TYR 108 N -4.49 1.20 -1.91 0.92 4.01 -1.26 -4.97 117.16 110.66 1sxs n TYR 108 Ca 0.15 -0.51 -0.41 0.00 -0.16 0.00 0.00 57.90 56.97 1sxs n TYR 108 Cb 0.52 -0.16 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 1sxs n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sxs s SER 109 N -0.89 6.53 0.00 7.72 0.15 -0.47 -2.10 113.70 124.64 1sxs s SER 109 Ca 0.45 2.79 0.21 0.00 0.70 0.00 0.00 55.95 60.10 1sxs s SER 109 Cb 0.27 -2.63 0.46 0.00 -1.71 0.00 0.00 66.02 62.41 1sxs s SER 109 CO 0.24 -0.79 1.39 2.30 1.20 0.00 0.00 173.24 177.58 1sxs n ILE 110 N 2.29 0.69 -1.98 6.45 -5.35 -0.67 -4.89 119.36 115.90 1sxs n ILE 110 Ca 0.07 -0.84 -0.42 0.00 -0.27 0.00 0.00 62.75 61.29 1sxs n ILE 110 Cb 0.39 0.79 -0.02 0.00 -1.74 0.00 0.00 39.64 39.06 1sxs n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sxs s ILE 111 N -1.24 2.61 0.00 7.28 -1.09 -1.26 -1.51 121.20 125.98 1sxs s ILE 111 Ca 0.38 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1sxs s ILE 111 Cb 0.21 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1sxs s ILE 111 CO 0.29 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 1sxs n GLY 112 N 2.54 0.78 1.70 6.18 0.00 0.14 -4.99 105.19 111.55 1sxs n GLY 112 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1sxs n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxs n ARG 113 N -2.29 1.11 -5.06 1.61 1.74 -0.57 -2.42 116.66 110.78 1sxs n ARG 113 Ca 0.00 -1.53 -0.32 0.00 -0.77 0.00 0.00 57.85 55.23 1sxs n ARG 113 Cb 0.00 0.15 -0.15 0.00 -1.02 0.00 0.00 32.46 31.43 1sxs n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sxs s THR 114 N -1.17 2.50 -0.14 0.55 2.01 -1.07 -0.79 115.64 117.52 1sxs s THR 114 Ca 0.15 -0.89 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 1sxs s THR 114 Cb -0.01 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1sxs s THR 114 CO 0.09 0.56 0.58 -0.32 -0.69 0.00 0.00 174.62 174.84 1sxs s MET 115 N 0.01 4.30 -0.04 4.92 1.75 -0.75 0.08 119.30 129.57 1sxs s MET 115 Ca -0.07 0.59 0.05 0.00 -1.25 0.00 0.00 55.69 55.02 1sxs s MET 115 Cb -0.15 -3.50 -0.01 0.00 2.84 0.00 0.00 34.83 34.01 1sxs s MET 115 CO 0.05 -0.03 -0.20 0.08 -0.65 0.00 0.00 175.02 174.26 1sxs s VAL 116 N 1.22 1.68 -0.17 10.11 1.01 -0.03 -2.29 120.40 131.93 1sxs s VAL 116 Ca 0.29 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1sxs s VAL 116 Cb -0.16 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1sxs s VAL 116 CO 0.12 0.48 -0.03 0.54 0.00 0.00 0.00 175.10 176.21 1sxs s VAL 117 N -0.13 3.88 0.35 2.92 0.11 -0.71 -1.84 120.40 124.98 1sxs s VAL 117 Ca -0.02 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 1sxs s VAL 117 Cb -0.12 -2.71 -0.01 0.00 -1.53 0.00 0.00 36.38 32.01 1sxs s VAL 117 CO 0.02 0.47 0.51 -1.00 -3.33 0.00 0.00 175.10 171.78 1sxs s HIS 118 N 0.57 3.22 0.14 1.54 3.76 0.26 -0.92 115.29 123.85 1sxs s HIS 118 Ca -0.02 -0.03 -0.12 0.00 -0.15 0.00 0.00 55.06 54.73 1sxs s HIS 118 Cb -0.14 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 1sxs s HIS 118 CO 0.02 -0.03 1.52 1.49 -0.85 0.00 0.00 174.74 176.90 1sxs h GLU 119 N 0.79 0.89 -5.83 1.40 4.81 -0.51 -3.37 114.58 112.76 1sxs h GLU 119 Ca -0.47 -0.38 -0.58 0.00 -0.13 0.00 0.00 59.36 57.80 1sxs h GLU 119 Cb 1.25 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.51 1sxs h GLU 119 CO 0.56 1.03 -0.48 0.15 -0.73 0.00 0.00 179.01 179.53 1sxs s LYS 120 N -4.66 2.21 0.52 1.92 -0.14 0.06 -4.86 119.74 114.79 1sxs s LYS 120 Ca -0.12 -1.93 -0.22 0.00 -1.36 0.00 0.00 55.97 52.35 1sxs s LYS 120 Cb 0.11 -1.93 -0.06 0.00 -1.68 0.00 0.00 37.83 34.27 1sxs s LYS 120 CO 0.85 -0.19 1.25 -2.14 -0.76 0.00 0.00 175.35 174.37 1sxs s PRO 121 N -3.93 3.35 -0.15 -1.68 0.02 -1.13 -1.28 135.00 130.20 1sxs s PRO 121 Ca 0.37 1.98 -0.23 0.00 0.02 0.00 0.00 61.00 63.13 1sxs s PRO 121 Cb 0.03 -2.25 -0.02 0.00 0.02 0.00 0.00 34.50 32.28 1sxs s PRO 121 CO 0.20 -0.95 0.73 0.34 -0.33 0.00 0.00 177.00 177.00 1sxs s ASP 122 N -1.24 6.88 0.00 2.53 -1.08 -1.26 -4.06 116.67 118.44 1sxs s ASP 122 Ca 0.70 1.07 0.10 0.00 -0.52 0.00 0.00 52.55 53.90 1sxs s ASP 122 Cb -0.34 -2.41 0.46 0.00 -1.46 0.00 0.00 42.92 39.17 1sxs s ASP 122 CO 0.40 -0.28 1.32 -0.90 0.52 0.00 0.00 175.17 176.23 1sxs n ASP 123 N 4.75 0.58 -3.00 -0.34 5.68 -0.02 -4.90 116.55 119.30 1sxs n ASP 123 Ca 0.01 -1.80 -0.22 0.00 -0.50 0.00 0.00 54.79 52.28 1sxs n ASP 123 Cb 0.50 -0.06 0.02 0.00 -1.14 0.00 0.00 41.12 40.44 1sxs n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sxs n LEU 124 N -0.28 -2.30 -0.00 -2.12 4.77 -1.26 -2.26 117.00 113.54 1sxs n LEU 124 Ca 0.08 -0.26 -0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1sxs n LEU 124 Cb 0.12 -2.76 -0.00 0.00 -2.33 0.00 0.00 43.42 38.45 1sxs n LEU 124 CO 0.06 0.16 -0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1sxs n GLY 125 N -1.37 0.38 0.77 -0.72 0.00 -1.25 -3.42 105.19 99.58 1sxs n GLY 125 Ca -0.11 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 1sxs n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxs n ARG 126 N -2.01 2.47 0.15 1.61 1.74 -0.96 -4.60 116.66 115.06 1sxs n ARG 126 Ca -0.00 -2.84 0.12 0.00 -0.77 0.00 0.00 57.85 54.36 1sxs n ARG 126 Cb 0.12 -1.78 0.27 0.00 -1.02 0.00 0.00 32.46 30.06 1sxs n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1sxs h GLY 127 N 1.36 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 98.92 1sxs h GLY 127 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1sxs h GLY 127 CO 0.20 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.35 1sxs n GLY 128 N 1.21 0.75 3.69 4.60 0.00 -1.26 -5.03 105.19 109.15 1sxs n GLY 128 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1sxs n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxs s ASN 129 N -2.26 4.18 0.22 1.61 2.20 -1.26 -5.03 114.94 114.60 1sxs s ASN 129 Ca 0.00 -1.22 -0.08 0.00 -0.94 0.00 0.00 52.86 50.62 1sxs s ASN 129 Cb 0.00 -0.43 0.18 0.00 -2.00 0.00 0.00 41.25 39.00 1sxs s ASN 129 CO 0.00 -0.51 1.83 -0.08 -2.94 0.00 0.00 177.10 175.40 1sxs h GLU 130 N 1.58 1.18 -0.92 3.55 4.81 -2.00 -2.64 114.58 120.13 1sxs h GLU 130 Ca -0.43 -0.15 0.16 0.00 -0.13 0.00 0.00 59.36 58.80 1sxs h GLU 130 Cb 1.25 -0.22 -0.08 0.00 0.63 0.00 0.00 28.75 30.33 1sxs h GLU 130 CO 0.75 0.88 0.59 1.49 -0.73 0.00 0.00 179.01 182.00 1sxs h GLU 131 N 1.18 0.67 -0.87 1.92 4.57 -2.00 -0.98 114.58 119.07 1sxs h GLU 131 Ca 0.29 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.49 1sxs h GLU 131 Cb 0.06 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.45 1sxs h GLU 131 CO -0.04 0.44 0.57 1.03 -1.18 0.00 0.00 179.01 179.83 1sxs h SER 132 N 0.69 0.88 0.19 1.04 0.87 -1.81 0.80 113.55 116.20 1sxs h SER 132 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1sxs h SER 132 Cb 0.80 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1sxs h SER 132 CO -0.24 0.58 0.00 0.35 -0.53 0.00 0.00 176.83 176.99 1sxs n THR 133 N -4.48 0.06 -0.04 2.23 -2.24 -0.38 -1.78 114.28 107.66 1sxs n THR 133 Ca 0.13 0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.84 1sxs n THR 133 Cb 0.18 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 67.79 1sxs n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sxs n LYS 134 N -1.11 0.18 0.00 -0.78 5.02 -0.62 -1.21 118.16 119.64 1sxs n LYS 134 Ca 0.17 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1sxs n LYS 134 Cb 0.14 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1sxs n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sxs n THR 135 N -3.17 0.02 -1.22 -0.18 -2.24 0.18 -4.69 114.28 102.97 1sxs n THR 135 Ca -0.15 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 1sxs n THR 135 Cb 0.62 1.57 -0.03 0.00 -2.10 0.00 0.00 70.33 70.39 1sxs n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxs n GLY 136 N -0.01 0.93 2.76 3.38 0.00 -0.73 -2.71 105.19 108.81 1sxs n GLY 136 Ca 0.00 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 1sxs n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxs n ASN 137 N 0.11 -5.09 0.04 1.61 3.02 -1.25 -0.84 115.26 112.86 1sxs n ASN 137 Ca -0.08 -0.10 0.13 0.00 -0.03 0.00 0.00 54.58 54.50 1sxs n ASN 137 Cb 0.32 -4.21 0.53 0.00 -0.61 0.00 0.00 39.78 35.81 1sxs n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxs n ALA 138 N -2.78 2.27 -0.08 5.41 0.00 -1.10 -4.72 120.51 119.50 1sxs n ALA 138 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1sxs n ALA 138 Cb 0.62 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1sxs n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxs n GLY 139 N 1.33 -0.23 3.82 0.00 0.00 -1.26 -0.76 105.19 108.09 1sxs n GLY 139 Ca 0.06 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1sxs n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxs s SER 140 N -4.00 5.53 -0.59 1.61 1.04 -1.26 -4.68 113.70 111.35 1sxs s SER 140 Ca 0.00 1.62 -0.24 0.00 0.48 0.00 0.00 55.95 57.81 1sxs s SER 140 Cb 0.00 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.67 1sxs s SER 140 CO 0.00 -1.34 0.97 -0.13 0.98 0.00 0.00 173.24 173.72 1sxs s ARG 141 N -4.94 3.27 0.13 4.02 0.52 -1.26 -0.10 118.95 120.58 1sxs s ARG 141 Ca 0.58 -0.40 -0.11 0.00 -0.52 0.00 0.00 55.73 55.28 1sxs s ARG 141 Cb -0.14 -4.11 -0.09 0.00 0.52 0.00 0.00 34.95 31.14 1sxs s ARG 141 CO 0.53 -1.61 1.41 -0.07 0.02 0.00 0.00 175.30 175.57 1sxs h LEU 142 N 11.21 0.98 -7.14 2.53 3.38 -1.33 -3.47 115.31 121.47 1sxs h LEU 142 Ca -0.27 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.11 1sxs h LEU 142 Cb 1.07 -0.28 -0.17 0.00 0.09 0.00 0.00 40.66 41.37 1sxs h LEU 142 CO 1.13 1.33 0.08 0.00 0.09 0.00 0.00 178.44 181.07 1sxs s ALA 143 N -4.13 -1.45 0.15 1.53 0.00 -1.21 -4.09 121.76 112.55 1sxs s ALA 143 Ca -0.11 0.79 -0.24 0.00 0.00 0.00 0.00 51.96 52.40 1sxs s ALA 143 Cb 0.10 0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.59 1sxs s ALA 143 CO 0.89 -0.48 0.69 0.00 0.00 0.00 0.00 175.76 176.86 1sxs s GLY 145 N -2.74 -0.54 0.01 0.00 0.00 -0.97 -1.03 107.32 102.06 1sxs s GLY 145 Ca 0.04 0.93 -0.27 0.00 0.00 0.00 0.00 44.72 45.42 1sxs s GLY 145 CO -0.08 0.60 0.83 0.14 0.00 0.00 0.00 173.10 174.59 1sxs s VAL 146 N -2.06 4.82 -0.27 1.40 1.01 -1.26 -1.81 120.40 122.23 1sxs s VAL 146 Ca -0.07 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.38 1sxs s VAL 146 Cb -0.01 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1sxs s VAL 146 CO 0.02 0.27 1.06 -0.63 0.00 0.00 0.00 175.10 175.82 1sxs s ILE 147 N 0.46 4.60 0.34 2.22 1.01 0.03 -4.41 121.20 125.45 1sxs s ILE 147 Ca 0.43 1.90 0.09 0.00 0.00 0.00 0.00 60.65 63.08 1sxs s ILE 147 Cb -0.20 -4.35 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 1sxs s ILE 147 CO 0.24 -0.31 -0.04 -0.83 0.00 0.00 0.00 174.94 174.00 1sxs s GLY 148 N 1.40 2.13 0.13 6.18 0.00 -0.24 0.27 107.32 117.20 1sxs s GLY 148 Ca 0.45 -2.03 -0.31 0.00 0.00 0.00 0.00 44.72 42.83 1sxs s GLY 148 CO 0.10 -1.97 1.34 -0.42 0.00 0.00 0.00 173.10 172.16 1sxs s ILE 149 N -2.56 3.39 0.30 0.90 1.01 -1.26 -0.10 121.20 122.87 1sxs s ILE 149 Ca 0.34 1.02 0.10 0.00 0.00 0.00 0.00 60.65 62.11 1sxs s ILE 149 Cb 0.01 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1sxs s ILE 149 CO 0.18 0.10 -0.02 0.00 0.00 0.00 0.00 174.94 175.19 1sxs s ALA 150 N 0.87 3.13 -2.01 9.38 0.00 -0.67 -4.76 121.76 127.70 1sxs s ALA 150 Ca 0.62 -1.82 0.32 0.00 0.00 0.00 0.00 51.96 51.08 1sxs s ALA 150 Cb -0.36 -0.53 1.89 0.00 0.00 0.00 0.00 23.12 24.12 1sxs s ALA 150 CO 0.32 0.18 2.22 1.17 0.00 0.00 0.00 175.76 179.65