#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w7o s ASP 2 N 0.00 5.25 0.32 0.00 1.01 -1.26 -5.09 116.67 116.89 1w7o s ASP 2 Ca 0.00 -0.10 -0.28 0.00 0.71 0.00 0.00 52.55 52.88 1w7o s ASP 2 Cb 0.00 -1.32 -0.10 0.00 1.01 0.00 0.00 42.92 42.51 1w7o s ASP 2 CO 0.00 0.18 1.18 0.00 0.21 0.00 0.00 175.17 176.74 1w7o s ALA 3 N -1.34 3.40 0.93 5.23 0.00 -1.26 -5.02 121.76 123.70 1w7o s ALA 3 Ca 0.27 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 1w7o s ALA 3 Cb -0.12 -3.39 0.15 0.00 0.00 0.00 0.00 23.12 19.77 1w7o s ALA 3 CO 0.20 -0.38 1.10 -1.25 0.00 0.00 0.00 175.76 175.42 1w7o s PRO 4 N -1.71 0.92 1.04 0.00 0.04 -1.26 -5.03 135.00 129.01 1w7o s PRO 4 Ca 0.48 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 1w7o s PRO 4 Cb -0.34 -1.75 0.21 0.00 0.04 0.00 0.00 34.50 32.66 1w7o s PRO 4 CO 0.45 -2.56 1.13 0.20 0.04 0.00 0.00 177.00 176.26 1w7o s GLY 5 N -3.00 1.59 0.00 0.56 0.00 -1.26 -4.59 107.32 100.62 1w7o s GLY 5 Ca 0.65 -0.70 0.15 0.00 0.00 0.00 0.00 44.72 44.83 1w7o s GLY 5 CO 0.59 0.01 1.38 1.22 0.00 0.00 0.00 173.10 176.29 1w7o n ASP 6 N -4.23 0.00 -0.30 1.64 8.00 -1.26 -2.59 116.55 117.81 1w7o n ASP 6 Ca 0.09 -0.89 0.14 0.00 0.71 0.00 0.00 54.79 54.84 1w7o n ASP 6 Cb 0.59 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 42.26 1w7o n ASP 6 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1w7o n ASP 7 N -0.85 1.01 -4.75 -2.24 3.85 -1.26 -4.50 116.55 107.81 1w7o n ASP 7 Ca 0.11 -1.14 -0.41 0.00 -0.71 0.00 0.00 54.79 52.64 1w7o n ASP 7 Cb 0.05 0.01 -0.02 0.00 -1.35 0.00 0.00 41.12 39.82 1w7o n ASP 7 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 1w7o s TYR 8 N -2.19 2.83 -0.07 2.11 6.14 -1.07 -4.93 117.35 120.18 1w7o s TYR 8 Ca 0.35 0.85 0.03 0.00 0.64 0.00 0.00 57.07 58.94 1w7o s TYR 8 Cb 0.21 -3.99 0.00 0.00 0.42 0.00 0.00 41.96 38.60 1w7o s TYR 8 CO 0.40 -3.32 -0.17 0.08 0.64 0.00 0.00 175.55 173.18 1w7o s VAL 9 N 0.01 1.48 -0.15 3.14 1.01 -1.26 -1.48 120.40 123.14 1w7o s VAL 9 Ca 0.62 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1w7o s VAL 9 Cb -0.46 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1w7o s VAL 9 CO 0.46 0.43 0.54 -0.63 0.00 0.00 0.00 175.10 175.90 1w7o s ILE 10 N 0.37 5.12 0.30 2.22 1.01 0.92 -4.91 121.20 126.22 1w7o s ILE 10 Ca -0.12 1.05 0.08 0.00 0.00 0.00 0.00 60.65 61.65 1w7o s ILE 10 Cb -0.15 -3.87 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 1w7o s ILE 10 CO 0.05 0.23 -0.07 -0.94 0.00 0.00 0.00 174.94 174.20 1w7o s SER 11 N 0.92 3.10 0.58 3.58 1.04 -1.26 -1.34 113.70 120.32 1w7o s SER 11 Ca 0.27 -1.19 -0.19 0.00 0.48 0.00 0.00 55.95 55.32 1w7o s SER 11 Cb -0.16 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.69 1w7o s SER 11 CO 0.11 -0.29 1.18 0.00 0.98 0.00 0.00 173.24 175.22 1w7o s ALA 12 N -2.87 2.60 0.66 5.32 0.00 -1.26 -4.98 121.76 121.22 1w7o s ALA 12 Ca 0.31 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 1w7o s ALA 12 Cb 0.03 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1w7o s ALA 12 CO 0.13 -1.03 1.08 -1.25 0.00 0.00 0.00 175.76 174.70 1w7o s PRO 13 N -3.31 2.90 0.20 0.00 0.04 -1.26 -4.93 135.00 128.63 1w7o s PRO 13 Ca 0.76 1.25 -0.32 0.00 0.04 0.00 0.00 61.00 62.73 1w7o s PRO 13 Cb -0.28 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.17 1w7o s PRO 13 CO 0.31 -1.15 1.73 -1.21 0.04 0.00 0.00 177.00 176.72 1w7o s GLU 14 N -4.31 4.12 0.00 4.56 8.01 -1.26 -2.00 118.70 127.82 1w7o s GLU 14 Ca 0.64 2.61 0.00 0.00 0.01 0.00 0.00 54.97 58.23 1w7o s GLU 14 Cb -0.18 -3.12 0.00 0.00 -4.31 0.00 0.00 34.13 26.52 1w7o s GLU 14 CO 0.44 -0.76 0.00 0.41 0.01 0.00 0.00 175.26 175.35 1w7o n GLY 15 N 4.01 0.23 3.60 -1.39 0.00 -1.26 -5.05 105.19 105.33 1w7o n GLY 15 Ca 0.16 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.69 1w7o n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1w7o n MET 16 N -1.69 1.34 -3.72 1.61 0.00 -0.85 -4.94 117.12 108.88 1w7o n MET 16 Ca 0.00 0.48 -0.34 0.00 0.00 0.00 0.00 57.70 57.84 1w7o n MET 16 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 33.22 31.10 1w7o n MET 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1w7o s LYS 17 N 0.04 3.61 0.03 2.12 1.02 -0.72 -5.02 119.74 120.82 1w7o s LYS 17 Ca 0.77 -0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.74 1w7o s LYS 17 Cb -0.85 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1w7o s LYS 17 CO 0.49 0.59 -0.06 0.00 -0.92 0.00 0.00 175.35 175.44 1w7o s ALA 18 N -1.42 3.05 0.34 5.17 0.00 -1.26 -4.18 121.76 123.46 1w7o s ALA 18 Ca 0.32 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 1w7o s ALA 18 Cb -0.13 -1.12 -0.11 0.00 0.00 0.00 0.00 23.12 21.76 1w7o s ALA 18 CO 0.19 0.63 1.49 0.21 0.00 0.00 0.00 175.76 178.29 1w7o s LYS 19 N -1.63 4.15 0.51 0.00 2.20 -1.26 -4.44 119.74 119.27 1w7o s LYS 19 Ca 0.19 2.51 -0.22 0.00 -0.36 0.00 0.00 55.97 58.09 1w7o s LYS 19 Cb -0.11 -3.01 -0.06 0.00 -1.51 0.00 0.00 37.83 33.14 1w7o s LYS 19 CO 0.10 -0.52 1.26 -1.25 -0.36 0.00 0.00 175.35 174.58 1w7o s PRO 20 N -1.45 3.44 -0.84 4.03 0.04 -1.26 -3.42 135.00 135.53 1w7o s PRO 20 Ca 0.56 2.00 -0.16 0.00 0.04 0.00 0.00 61.00 63.43 1w7o s PRO 20 Cb -0.46 -2.32 0.17 0.00 0.04 0.00 0.00 34.50 31.94 1w7o s PRO 20 CO 0.56 -0.88 0.89 -1.59 0.04 0.00 0.00 177.00 176.02 1w7o s LYS 21 N -2.82 3.54 5.94 4.56 -2.85 0.22 -4.81 119.74 123.52 1w7o s LYS 21 Ca 0.68 -2.09 0.00 0.00 -1.00 0.00 0.00 55.97 53.56 1w7o s LYS 21 Cb -0.34 -4.60 0.00 0.00 -2.06 0.00 0.00 37.83 30.83 1w7o s LYS 21 CO 0.41 -1.50 0.00 0.41 0.10 0.00 0.00 175.35 174.77 1w7o n GLY 22 N 4.68 1.53 0.38 0.59 0.00 -1.26 -2.43 105.19 108.68 1w7o n GLY 22 Ca 0.15 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1w7o n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w7o n ASP 23 N 10.66 2.78 -4.62 1.61 8.00 -1.26 -4.98 116.55 128.74 1w7o n ASP 23 Ca 0.00 -2.59 -0.31 0.00 0.71 0.00 0.00 54.79 52.60 1w7o n ASP 23 Cb 0.00 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 1w7o n ASP 23 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1w7o s LYS 24 N -2.04 2.41 0.42 -1.24 2.20 -1.02 -5.10 119.74 115.37 1w7o s LYS 24 Ca 0.25 -0.85 -0.26 0.00 -0.36 0.00 0.00 55.97 54.75 1w7o s LYS 24 Cb 0.20 -2.45 -0.10 0.00 -1.51 0.00 0.00 37.83 33.97 1w7o s LYS 24 CO 0.06 0.55 1.35 -0.35 -0.36 0.00 0.00 175.35 176.60 1w7o n PRO 25 N 1.00 2.13 -2.15 4.03 -0.04 -1.26 -0.61 135.00 138.10 1w7o n PRO 25 Ca -0.13 0.76 -0.27 0.00 -0.04 0.00 0.00 63.50 63.81 1w7o n PRO 25 Cb 0.52 -2.49 0.13 0.00 -0.04 0.00 0.00 33.50 31.63 1w7o n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1w7o s GLY 26 N -0.45 1.73 0.11 0.55 0.00 -1.22 -4.39 107.32 103.65 1w7o s GLY 26 Ca 0.60 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 44.20 1w7o s GLY 26 CO 0.59 -0.59 -0.20 0.00 0.00 0.00 0.00 173.10 172.89 1w7o s ALA 27 N -3.53 1.79 0.69 3.20 0.00 -1.26 -4.86 121.76 117.80 1w7o s ALA 27 Ca 0.67 -1.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 1w7o s ALA 27 Cb -0.07 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1w7o s ALA 27 CO 0.48 0.34 1.10 -0.51 0.00 0.00 0.00 175.76 177.18 1w7o s LEU 28 N -1.97 3.28 0.73 0.00 1.43 -1.26 -4.87 118.68 116.02 1w7o s LEU 28 Ca 0.07 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 1w7o s LEU 28 Cb -0.10 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.61 1w7o s LEU 28 CO 0.04 -1.75 1.07 -1.10 0.23 0.00 0.00 176.35 174.85 1w7o s GLN 29 N -4.36 2.61 0.79 1.70 -1.52 -1.26 -5.01 119.66 112.61 1w7o s GLN 29 Ca 0.65 0.91 -0.15 0.00 -1.95 0.00 0.00 55.36 54.83 1w7o s GLN 29 Cb -0.19 -1.96 0.02 0.00 -0.22 0.00 0.00 33.01 30.66 1w7o s GLN 29 CO 0.46 -1.32 0.80 1.63 -0.25 0.00 0.00 175.29 176.61 1w7o n LYS 30 N -3.27 0.18 -1.84 2.91 5.02 -1.26 -4.99 118.16 114.91 1w7o n LYS 30 Ca 0.08 0.12 -0.29 0.00 -2.02 0.00 0.00 58.31 56.19 1w7o n LYS 30 Cb 0.54 -2.10 0.08 0.00 -0.02 0.00 0.00 35.03 33.54 1w7o n LYS 30 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1w7o s THR 31 N -2.06 2.44 -0.32 -0.18 -4.23 0.11 -4.48 115.64 106.93 1w7o s THR 31 Ca 0.68 0.14 0.04 0.00 -1.18 0.00 0.00 61.69 61.37 1w7o s THR 31 Cb -0.30 -3.10 0.09 0.00 1.34 0.00 0.00 72.50 70.52 1w7o s THR 31 CO 0.56 -0.19 0.01 -0.69 -0.54 0.00 0.00 174.62 173.77 1w7o s VAL 32 N -3.47 2.21 0.32 2.29 1.01 -0.45 -1.48 120.40 120.84 1w7o s VAL 32 Ca 0.61 -2.12 -0.29 0.00 0.00 0.00 0.00 61.98 60.18 1w7o s VAL 32 Cb -0.12 -2.54 -0.12 0.00 0.00 0.00 0.00 36.38 33.60 1w7o s VAL 32 CO 0.50 -0.44 1.51 -2.65 0.00 0.00 0.00 175.10 174.03 1w7o n PRO 33 N 4.32 2.59 -3.62 2.72 -0.02 -1.26 -0.06 135.00 139.67 1w7o n PRO 33 Ca -0.01 0.91 -0.27 0.00 -2.02 0.00 0.00 63.50 62.11 1w7o n PRO 33 Cb 0.42 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 31.09 1w7o n PRO 33 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1w7o s PHE 34 N -0.51 0.46 -0.50 6.00 2.19 -0.55 -4.87 117.98 120.20 1w7o s PHE 34 Ca 0.60 -0.66 -0.23 0.00 0.33 0.00 0.00 56.93 56.96 1w7o s PHE 34 Cb -0.51 -0.87 0.04 0.00 -1.31 0.00 0.00 43.02 40.37 1w7o s PHE 34 CO 0.55 -0.65 0.83 -1.25 1.83 0.00 0.00 175.22 176.54 1w7o s PRO 35 N 2.05 3.34 0.42 10.12 0.04 -1.26 -4.40 135.00 145.31 1w7o s PRO 35 Ca 0.04 -0.26 0.12 0.00 0.04 0.00 0.00 61.00 60.94 1w7o s PRO 35 Cb -0.16 -4.01 0.97 0.00 0.04 0.00 0.00 34.50 31.34 1w7o s PRO 35 CO -0.18 -1.28 1.98 0.45 0.04 0.00 0.00 177.00 178.00 1w7o h HIS 36 N 9.12 0.50 0.00 0.56 3.86 -1.83 -2.65 115.15 124.71 1w7o h HIS 36 Ca -0.26 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 58.95 1w7o h HIS 36 Cb 1.08 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 29.39 1w7o h HIS 36 CO 0.84 0.24 -0.08 0.66 0.86 0.00 0.00 177.93 180.46 1w7o h SER 37 N 0.47 0.00 0.23 2.45 4.64 -1.92 -0.20 113.55 119.22 1w7o h SER 37 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1w7o h SER 37 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1w7o h SER 37 CO -0.08 0.08 -0.03 0.29 -0.87 0.00 0.00 176.83 176.22 1w7o n LYS 38 N -3.77 0.85 -0.70 4.77 4.76 -1.00 -3.28 118.16 119.79 1w7o n LYS 38 Ca -0.02 -0.15 0.06 0.00 -2.87 0.00 0.00 58.31 55.33 1w7o n LYS 38 Cb 0.18 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.05 1w7o n LYS 38 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1w7o n HIS 39 N -0.95 0.00 0.38 2.13 8.25 -0.10 -4.78 115.22 120.15 1w7o n HIS 39 Ca 0.19 -1.34 0.13 0.00 -0.26 0.00 0.00 57.72 56.44 1w7o n HIS 39 Cb 0.21 -0.23 0.39 0.00 1.12 0.00 0.00 29.99 31.47 1w7o n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1w7o h ALA 40 N 0.96 1.00 0.00 -1.41 0.00 -1.52 -1.49 119.26 116.80 1w7o h ALA 40 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1w7o h ALA 40 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1w7o h ALA 40 CO 0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.51 1w7o n THR 41 N -2.71 0.03 -4.21 0.00 -2.24 -1.26 -4.77 114.28 99.13 1w7o n THR 41 Ca 0.04 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.48 1w7o n THR 41 Cb 0.41 -0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.01 1w7o n THR 41 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1w7o s VAL 42 N -2.46 4.38 0.53 2.28 1.01 -0.56 -5.07 120.40 120.51 1w7o s VAL 42 Ca 0.31 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 1w7o s VAL 42 Cb 0.20 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1w7o s VAL 42 CO 0.43 0.49 1.38 -1.61 0.00 0.00 0.00 175.10 175.78 1w7o s GLU 43 N 0.21 3.21 0.21 2.72 0.41 -1.26 -4.89 118.70 119.31 1w7o s GLU 43 Ca 0.01 2.28 -0.09 0.00 -0.41 0.00 0.00 54.97 56.76 1w7o s GLU 43 Cb -0.13 -2.32 0.25 0.00 -1.78 0.00 0.00 34.13 30.16 1w7o s GLU 43 CO 0.02 -1.15 1.78 0.00 -0.49 0.00 0.00 175.26 175.41 1w7o n ALA 45 N -2.40 1.65 -0.18 0.00 0.00 -1.26 -1.08 120.51 117.24 1w7o n ALA 45 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 1w7o n ALA 45 Cb 0.22 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.45 1w7o n ALA 45 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1w7o h GLN 46 N 0.00 0.89 0.04 0.00 4.15 -1.59 -3.29 115.11 115.31 1w7o h GLN 46 Ca 0.00 -0.26 -0.36 0.00 0.77 0.00 0.00 58.65 58.81 1w7o h GLN 46 Cb 0.24 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 1w7o h GLN 46 CO 0.00 0.89 -2.04 0.00 -1.93 0.00 0.00 178.83 175.75 1w7o n HIS 48 N -3.79 3.55 1.49 0.00 8.25 -0.24 -4.81 115.22 119.67 1w7o n HIS 48 Ca -0.39 -2.96 0.15 0.00 -0.26 0.00 0.00 57.72 54.26 1w7o n HIS 48 Cb 0.92 -2.02 0.78 0.00 1.12 0.00 0.00 29.99 30.79 1w7o n HIS 48 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1w7o n HIS 49 N 4.39 0.00 -0.68 4.41 -0.00 -1.24 -2.06 115.22 120.05 1w7o n HIS 49 Ca 0.39 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 58.19 1w7o n HIS 49 Cb 0.38 -0.25 0.28 0.00 -0.00 0.00 0.00 29.99 30.39 1w7o n HIS 49 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1w7o n THR 50 N -1.25 1.89 -0.33 0.61 -2.24 -1.26 -4.75 114.28 106.94 1w7o n THR 50 Ca 0.15 -1.43 0.04 0.00 -2.27 0.00 0.00 64.05 60.55 1w7o n THR 50 Cb 0.23 0.04 0.19 0.00 -2.10 0.00 0.00 70.33 68.69 1w7o n THR 50 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1w7o h LEU 51 N 2.71 0.83 0.44 3.22 5.85 -1.71 0.20 115.31 126.86 1w7o h LEU 51 Ca 0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1w7o h LEU 51 Cb 1.32 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1w7o h LEU 51 CO 0.20 0.48 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.49 1w7o h GLU 52 N 0.94 -0.57 -0.86 1.25 4.22 -1.86 0.73 114.58 118.43 1w7o h GLU 52 Ca 0.43 0.04 0.23 0.00 0.08 0.00 0.00 59.36 60.14 1w7o h GLU 52 Cb 0.35 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1w7o h GLU 52 CO -0.23 -0.26 0.60 0.00 -2.18 0.00 0.00 179.01 176.94 1w7o h ALA 53 N -0.56 2.59 -0.28 2.92 0.00 -1.86 0.71 119.26 122.79 1w7o h ALA 53 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1w7o h ALA 53 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1w7o h ALA 53 CO 0.10 -0.85 0.00 -0.25 0.00 0.00 0.00 179.25 178.25 1w7o n ASP 54 N -4.37 1.56 -0.53 0.00 10.43 0.69 -4.91 116.55 119.44 1w7o n ASP 54 Ca 0.18 -1.95 -0.07 0.00 2.57 0.00 0.00 54.79 55.52 1w7o n ASP 54 Cb 0.84 -0.18 -0.03 0.00 1.84 0.00 0.00 41.12 43.59 1w7o n ASP 54 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1w7o n GLY 55 N 0.99 0.90 1.61 0.44 0.00 0.24 -2.84 105.19 106.53 1w7o n GLY 55 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1w7o n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w7o n GLY 56 N -1.86 0.84 3.81 -0.02 0.00 0.22 -5.02 105.19 103.16 1w7o n GLY 56 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1w7o n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w7o s ALA 57 N -3.03 3.17 -0.32 4.61 0.00 -1.13 -4.24 121.76 120.82 1w7o s ALA 57 Ca 0.00 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.17 1w7o s ALA 57 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 1w7o s ALA 57 CO 0.00 0.20 0.30 0.08 0.00 0.00 0.00 175.76 176.34 1w7o s VAL 58 N -1.94 5.22 -0.01 0.00 1.01 -1.26 -4.75 120.40 118.67 1w7o s VAL 58 Ca 0.56 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 1w7o s VAL 58 Cb -0.12 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1w7o s VAL 58 CO 0.17 0.01 0.17 -0.54 0.00 0.00 0.00 175.10 174.91 1w7o s LYS 59 N 1.90 3.38 0.57 2.72 1.02 -1.26 -5.07 119.74 123.00 1w7o s LYS 59 Ca 0.10 -0.34 -0.21 0.00 0.02 0.00 0.00 55.97 55.54 1w7o s LYS 59 Cb -0.17 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1w7o s LYS 59 CO 0.11 0.68 1.34 0.15 -0.92 0.00 0.00 175.35 176.71 1w7o s LYS 60 N -1.87 3.03 0.51 1.68 1.02 -1.26 -4.88 119.74 117.97 1w7o s LYS 60 Ca 0.26 2.19 0.19 0.00 0.02 0.00 0.00 55.97 58.63 1w7o s LYS 60 Cb -0.12 -2.17 1.26 0.00 -0.52 0.00 0.00 37.83 36.28 1w7o s LYS 60 CO 0.17 -1.26 2.07 0.00 -0.92 0.00 0.00 175.35 175.40 1w7o n THR 62 N -4.47 0.09 -1.14 0.00 -2.24 -1.26 -1.72 114.28 103.55 1w7o n THR 62 Ca 0.04 -0.49 -0.39 0.00 -2.27 0.00 0.00 64.05 60.94 1w7o n THR 62 Cb 0.32 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 1w7o n THR 62 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1w7o n THR 63 N 1.11 1.57 -1.79 4.28 -1.04 -0.90 -4.25 114.28 113.26 1w7o n THR 63 Ca 0.16 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.05 61.34 1w7o n THR 63 Cb 0.54 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.03 1w7o n THR 63 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1w7o s SER 64 N -0.82 6.41 0.00 8.00 0.15 -1.26 -0.42 113.70 125.75 1w7o s SER 64 Ca 0.52 2.89 0.00 0.00 0.70 0.00 0.00 55.95 60.06 1w7o s SER 64 Cb -0.75 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 60.94 1w7o s SER 64 CO 0.46 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1w7o n GLY 65 N 2.74 0.81 0.00 9.45 0.00 -1.26 -5.00 105.19 111.92 1w7o n GLY 65 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1w7o n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w7o n HIS 67 N 0.00 3.30 0.01 0.00 8.25 -0.70 -4.77 115.22 121.31 1w7o n HIS 67 Ca 0.00 -3.00 0.05 0.00 -0.26 0.00 0.00 57.72 54.51 1w7o n HIS 67 Cb 0.00 -1.52 0.11 0.00 1.12 0.00 0.00 29.99 29.70 1w7o n HIS 67 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1w7o n ASP 68 N 2.28 2.56 -4.77 0.41 5.75 -1.15 -4.26 116.55 117.38 1w7o n ASP 68 Ca 0.28 -1.83 -0.38 0.00 -0.01 0.00 0.00 54.79 52.85 1w7o n ASP 68 Cb 0.36 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 1w7o n ASP 68 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1w7o s SER 69 N -0.96 6.26 0.00 -1.12 0.15 -1.13 -4.93 113.70 111.98 1w7o s SER 69 Ca 0.19 2.47 0.19 0.00 0.70 0.00 0.00 55.95 59.50 1w7o s SER 69 Cb 0.10 -2.62 0.42 0.00 -1.71 0.00 0.00 66.02 62.22 1w7o s SER 69 CO 0.14 -0.87 1.35 0.18 1.20 0.00 0.00 173.24 175.24 1w7o n LEU 70 N -0.14 3.33 -4.76 3.45 4.77 -1.26 -4.40 117.00 117.98 1w7o n LEU 70 Ca 0.05 -1.72 -0.39 0.00 -0.03 0.00 0.00 56.01 53.93 1w7o n LEU 70 Cb 0.46 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1w7o n LEU 70 CO 0.52 0.78 0.72 -0.70 -1.33 0.00 0.00 177.39 177.38 1w7o s GLU 71 N -1.17 4.59 0.68 3.23 2.56 -1.26 -1.76 118.70 125.57 1w7o s GLU 71 Ca 0.35 1.60 -0.12 0.00 0.00 0.00 0.00 54.97 56.80 1w7o s GLU 71 Cb 0.20 -3.02 0.00 0.00 2.00 0.00 0.00 34.13 33.30 1w7o s GLU 71 CO 0.26 0.23 1.06 -0.59 -0.56 0.00 0.00 175.26 175.67 1w7o s PHE 72 N -1.33 3.03 -0.18 5.30 -0.71 -1.26 -4.68 117.98 118.14 1w7o s PHE 72 Ca 0.47 1.46 -0.23 0.00 -1.04 0.00 0.00 56.93 57.58 1w7o s PHE 72 Cb -0.27 -2.93 -0.02 0.00 -1.21 0.00 0.00 43.02 38.60 1w7o s PHE 72 CO 0.34 -1.27 0.75 0.50 -1.34 0.00 0.00 175.22 174.20 1w7o s ARG 73 N -4.81 4.26 0.00 1.99 3.52 -1.26 -4.98 118.95 117.68 1w7o s ARG 73 Ca 0.60 0.86 0.00 0.00 -0.13 0.00 0.00 55.73 57.05 1w7o s ARG 73 Cb -0.15 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1w7o s ARG 73 CO 0.51 -0.29 0.00 -3.47 -0.81 0.00 0.00 175.30 171.24 1w7o n ASP 74 N 5.15 0.77 -0.07 -2.12 -0.08 -1.26 -4.96 116.55 113.98 1w7o n ASP 74 Ca 0.02 -0.49 -0.14 0.00 -1.51 0.00 0.00 54.79 52.67 1w7o n ASP 74 Cb 0.49 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.89 1w7o n ASP 74 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1w7o h LYS 75 N 0.00 0.62 -0.27 -0.67 1.57 -1.98 -1.83 116.57 114.00 1w7o h LYS 75 Ca 0.00 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1w7o h LYS 75 Cb 0.00 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1w7o h LYS 75 CO 0.00 0.98 0.08 0.00 -0.57 0.00 0.00 179.45 179.94 1w7o h ALA 76 N 0.63 0.30 -0.38 3.86 0.00 -1.99 -3.21 119.26 118.47 1w7o h ALA 76 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1w7o h ALA 76 Cb 0.92 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1w7o h ALA 76 CO 0.08 -0.32 0.00 0.27 0.00 0.00 0.00 179.25 179.27 1w7o n ASN 77 N -5.05 3.03 -0.49 0.00 0.23 -1.24 -4.76 115.26 106.98 1w7o n ASN 77 Ca -0.01 -1.95 0.40 0.00 -0.53 0.00 0.00 54.58 52.49 1w7o n ASN 77 Cb 0.10 -0.25 0.66 0.00 -2.08 0.00 0.00 39.78 38.21 1w7o n ASN 77 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1w7o n ALA 78 N 0.76 1.39 -0.66 -2.53 0.00 -0.69 0.07 120.51 118.85 1w7o n ALA 78 Ca 0.14 0.74 0.08 0.00 0.00 0.00 0.00 53.44 54.39 1w7o n ALA 78 Cb 0.45 -0.99 0.26 0.00 0.00 0.00 0.00 19.45 19.17 1w7o n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1w7o n LYS 79 N -4.32 3.23 -2.65 0.00 4.76 -1.26 -4.94 118.16 112.98 1w7o n LYS 79 Ca 0.38 -2.64 -0.43 0.00 -2.87 0.00 0.00 58.31 52.75 1w7o n LYS 79 Cb 1.55 -1.71 -0.02 0.00 -1.84 0.00 0.00 35.03 33.01 1w7o n LYS 79 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1w7o s ASP 80 N -1.34 7.03 0.50 4.39 3.68 0.11 -4.90 116.67 126.14 1w7o s ASP 80 Ca 0.39 1.25 0.32 0.00 2.13 0.00 0.00 52.55 56.64 1w7o s ASP 80 Cb 0.28 -2.54 1.26 0.00 -1.45 0.00 0.00 42.92 40.47 1w7o s ASP 80 CO 0.15 -0.75 1.93 0.16 0.13 0.00 0.00 175.17 176.78 1w7o h ILE 81 N 5.56 0.00 0.00 4.11 3.07 -1.92 -2.91 117.51 125.42 1w7o h ILE 81 Ca -0.20 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 65.73 1w7o h ILE 81 Cb 1.06 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.05 1w7o h ILE 81 CO 1.00 0.00 0.00 0.29 -1.05 0.00 0.00 178.15 178.39 1w7o n LYS 82 N -2.95 0.15 -2.63 0.16 4.76 -1.26 -4.31 118.16 112.08 1w7o n LYS 82 Ca 0.01 0.25 -0.37 0.00 -2.87 0.00 0.00 58.31 55.33 1w7o n LYS 82 Cb 0.30 -1.72 -0.05 0.00 -1.84 0.00 0.00 35.03 31.73 1w7o n LYS 82 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1w7o s LEU 83 N -3.96 4.28 0.25 -0.35 1.43 -1.10 -2.82 118.68 116.41 1w7o s LEU 83 Ca 0.09 1.99 0.05 0.00 -1.03 0.00 0.00 54.13 55.22 1w7o s LEU 83 Cb 0.12 -4.04 0.29 0.00 0.03 0.00 0.00 46.19 42.59 1w7o s LEU 83 CO 0.46 -0.27 1.59 -0.37 0.23 0.00 0.00 176.35 177.98 1w7o h VAL 84 N 2.48 1.37 -0.75 -1.59 -1.51 -1.82 -1.81 116.25 112.61 1w7o h VAL 84 Ca -0.47 -1.87 0.02 0.00 -1.23 0.00 0.00 66.70 63.14 1w7o h VAL 84 Cb 1.21 1.92 -0.04 0.00 -2.13 0.00 0.00 31.29 32.24 1w7o h VAL 84 CO 0.64 0.55 0.49 -0.08 -1.23 0.00 0.00 177.57 177.94 1w7o h GLU 85 N 0.20 0.96 -0.31 5.19 4.81 -1.93 -2.16 114.58 121.34 1w7o h GLU 85 Ca 0.00 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1w7o h GLU 85 Cb 1.04 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 1w7o h GLU 85 CO 0.09 0.63 -0.35 -0.91 -0.73 0.00 0.00 179.01 177.75 1w7o h ASN 86 N 0.99 0.84 -0.17 1.04 2.35 -1.76 -0.17 115.58 118.69 1w7o h ASN 86 Ca 0.29 -0.48 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 1w7o h ASN 86 Cb -0.07 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1w7o h ASN 86 CO -0.08 1.15 -0.03 0.00 -1.65 0.00 0.00 177.43 176.82 1w7o h ALA 87 N 0.71 0.24 0.20 -0.83 0.00 -1.03 -2.14 119.26 116.40 1w7o h ALA 87 Ca 0.04 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 1w7o h ALA 87 Cb 0.93 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.69 1w7o h ALA 87 CO 0.08 -0.02 -1.37 1.88 0.00 0.00 0.00 179.25 179.82 1w7o h TYR 88 N 0.05 0.88 -0.53 0.00 0.05 -1.44 -2.64 116.97 113.33 1w7o h TYR 88 Ca 0.05 -0.62 -0.07 0.00 0.05 0.00 0.00 58.73 58.14 1w7o h TYR 88 Cb 0.44 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 1w7o h TYR 88 CO 0.05 1.47 0.08 0.45 -1.05 0.00 0.00 178.16 179.15 1w7o h HIS 89 N 0.16 0.95 -0.54 4.88 3.86 -1.05 0.19 115.15 123.60 1w7o h HIS 89 Ca -0.21 -0.14 0.03 0.00 -1.16 0.00 0.00 60.37 58.89 1w7o h HIS 89 Cb 2.06 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 30.24 1w7o h HIS 89 CO 0.11 0.85 0.31 1.15 0.86 0.00 0.00 177.93 181.21 1w7o h THR 90 N 0.77 1.02 0.19 2.45 2.02 -1.45 -0.49 112.91 117.42 1w7o h THR 90 Ca 0.16 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1w7o h THR 90 Cb 0.42 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1w7o h THR 90 CO 0.01 0.11 -0.09 -0.61 0.37 0.00 0.00 175.52 175.31 1w7o h GLN 91 N 0.61 -0.24 0.06 6.66 4.15 -1.13 -3.24 115.11 121.98 1w7o h GLN 91 Ca 0.23 0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.57 1w7o h GLN 91 Cb 0.07 0.06 0.01 0.00 0.21 0.00 0.00 27.48 27.83 1w7o h GLN 91 CO -0.12 0.12 -0.40 0.00 -1.93 0.00 0.00 178.83 176.51 1w7o h ILE 93 N -0.66 1.28 -0.82 0.00 2.04 -1.27 -2.97 117.51 115.11 1w7o h ILE 93 Ca -0.07 -2.01 -0.02 0.00 1.00 0.00 0.00 64.86 63.77 1w7o h ILE 93 Cb 1.30 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 39.39 1w7o h ILE 93 CO 0.07 0.63 0.45 0.44 0.00 0.00 0.00 178.15 179.75 1w7o h ASP 94 N 0.50 1.03 -0.21 1.72 3.45 -1.58 0.61 116.42 121.94 1w7o h ASP 94 Ca -0.06 -0.10 -0.10 0.00 0.43 0.00 0.00 57.03 57.19 1w7o h ASP 94 Cb 1.45 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.95 1w7o h ASP 94 CO 0.17 0.83 -0.27 0.00 -1.57 0.00 0.00 179.24 178.39 1w7o h HIS 96 N 0.24 0.75 -0.15 0.00 3.86 -1.19 -1.29 115.15 117.37 1w7o h HIS 96 Ca 0.03 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1w7o h HIS 96 Cb 0.84 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1w7o h HIS 96 CO 0.08 0.50 -0.01 -0.22 0.86 0.00 0.00 177.93 179.14 1w7o h LYS 97 N 0.79 0.27 -0.31 2.45 3.64 -0.84 -1.61 116.57 120.97 1w7o h LYS 97 Ca 0.21 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1w7o h LYS 97 Cb -0.04 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1w7o h LYS 97 CO -0.04 0.52 0.17 0.00 -2.27 0.00 0.00 179.45 177.83 1w7o h ALA 98 N 0.74 0.38 -0.74 5.00 0.00 -1.18 -1.79 119.26 121.67 1w7o h ALA 98 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1w7o h ALA 98 Cb 0.41 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1w7o h ALA 98 CO 0.01 -0.21 0.38 -0.07 0.00 0.00 0.00 179.25 179.36 1w7o h LEU 99 N 0.34 0.96 -1.76 0.00 3.38 -1.26 -2.68 115.31 114.30 1w7o h LEU 99 Ca 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1w7o h LEU 99 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1w7o h LEU 99 CO -0.07 0.81 -0.05 0.50 0.09 0.00 0.00 178.44 179.71 1w7o h LYS 100 N 1.04 0.08 0.00 1.13 3.64 -0.82 -1.56 116.57 120.08 1w7o h LYS 100 Ca 0.26 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1w7o h LYS 100 Cb 0.09 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1w7o h LYS 100 CO -0.04 0.14 -0.55 -0.22 -2.27 0.00 0.00 179.45 176.52 1w7o h LYS 101 N 0.08 0.00 -0.30 1.90 3.11 -1.02 -2.91 116.57 117.44 1w7o h LYS 101 Ca 0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1w7o h LYS 101 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1w7o h LYS 101 CO 0.01 0.55 0.00 -0.25 -2.81 0.00 0.00 179.45 176.94 1w7o n ASP 102 N -3.36 1.88 -2.65 4.20 9.92 -1.06 -4.95 116.55 120.53 1w7o n ASP 102 Ca 0.01 -1.90 -0.21 0.00 -0.53 0.00 0.00 54.79 52.16 1w7o n ASP 102 Cb 0.69 -0.20 0.01 0.00 -0.64 0.00 0.00 41.12 40.98 1w7o n ASP 102 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1w7o n LYS 103 N 0.50 -2.91 -3.43 -1.24 5.02 -1.10 -5.02 118.16 109.97 1w7o n LYS 103 Ca 0.14 0.94 -0.25 0.00 -2.02 0.00 0.00 58.31 57.11 1w7o n LYS 103 Cb 0.32 -5.67 -0.02 0.00 -0.02 0.00 0.00 35.03 29.64 1w7o n LYS 103 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1w7o s LYS 104 N -5.31 3.52 0.40 1.97 1.02 -0.61 -5.03 119.74 115.70 1w7o s LYS 104 Ca 0.12 -0.28 -0.25 0.00 0.02 0.00 0.00 55.97 55.58 1w7o s LYS 104 Cb -0.05 -2.69 -0.11 0.00 -0.52 0.00 0.00 37.83 34.45 1w7o s LYS 104 CO 0.15 0.20 0.98 -2.30 -0.92 0.00 0.00 175.35 173.47 1w7o n PRO 105 N -1.45 1.31 -3.82 -1.68 -0.02 -1.26 -4.45 135.00 123.63 1w7o n PRO 105 Ca -0.04 0.47 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 1w7o n PRO 105 Cb 0.55 -1.98 0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1w7o n PRO 105 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1w7o s THR 106 N -1.25 0.00 0.13 3.45 -1.32 -1.26 -4.84 115.64 110.55 1w7o s THR 106 Ca 0.62 -1.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.08 1w7o s THR 106 Cb -0.58 -2.96 0.01 0.00 -1.51 0.00 0.00 72.50 67.45 1w7o s THR 106 CO 0.58 0.00 0.08 0.61 -2.21 0.00 0.00 174.62 173.67 1w7o n GLY 107 N -0.54 3.22 3.77 6.08 0.00 -1.26 -5.09 105.19 111.36 1w7o n GLY 107 Ca -0.08 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.32 1w7o n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w7o s PRO 108 N -2.52 4.23 -0.00 1.61 0.04 -1.26 -4.86 135.00 132.25 1w7o s PRO 108 Ca 0.06 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.30 1w7o s PRO 108 Cb -0.00 -2.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 1w7o s PRO 108 CO 0.04 -0.27 0.12 0.25 0.04 0.00 0.00 177.00 177.18 1w7o n THR 109 N 0.57 0.00 -3.59 1.26 -2.24 -1.26 -4.86 114.28 104.16 1w7o n THR 109 Ca 0.01 -0.43 -0.38 0.00 -2.27 0.00 0.00 64.05 60.99 1w7o n THR 109 Cb 0.43 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.59 1w7o n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1w7o s ALA 110 N -1.28 3.73 0.23 6.98 0.00 -1.26 -4.99 121.76 125.17 1w7o s ALA 110 Ca 0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 1w7o s ALA 110 Cb 0.02 -2.29 0.26 0.00 0.00 0.00 0.00 23.12 21.11 1w7o s ALA 110 CO 0.12 0.47 1.56 0.00 0.00 0.00 0.00 175.76 177.91 1w7o n GLY 112 N -1.49 -1.28 0.00 0.00 0.00 -1.26 -1.23 105.19 99.92 1w7o n GLY 112 Ca 0.11 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1w7o n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w7o n LYS 113 N -1.29 0.02 -0.11 1.61 4.76 -0.61 -4.45 118.16 118.10 1w7o n LYS 113 Ca 0.13 -0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.34 1w7o n LYS 113 Cb 0.26 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.87 1w7o n LYS 113 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1w7o s HIS 115 N -2.40 2.90 -0.13 0.00 3.76 -0.37 -4.24 115.29 114.81 1w7o s HIS 115 Ca -0.30 -1.26 0.04 0.00 -0.15 0.00 0.00 55.06 53.38 1w7o s HIS 115 Cb 0.11 -4.48 -0.04 0.00 1.11 0.00 0.00 32.58 29.28 1w7o s HIS 115 CO 0.40 -1.68 0.13 0.25 -0.85 0.00 0.00 174.74 173.00 1w7o n THR 116 N 6.02 0.00 -3.90 1.30 -2.24 -0.55 -4.57 114.28 110.34 1w7o n THR 116 Ca 0.30 -0.34 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 1w7o n THR 116 Cb 0.49 0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 69.45 1w7o n THR 116 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1w7o s THR 117 N -1.54 2.93 0.00 4.28 2.01 -0.77 -4.89 115.64 117.66 1w7o s THR 117 Ca 0.01 -1.67 0.00 0.00 0.31 0.00 0.00 61.69 60.33 1w7o s THR 117 Cb 0.03 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1w7o s THR 117 CO 0.15 -0.30 0.00 -3.20 -0.69 0.00 0.00 174.62 170.58