#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqy h TYR 8 N 0.00 -1.03 -0.04 -0.32 3.20 -1.97 -1.36 116.97 115.46 1aqy h TYR 8 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1aqy h TYR 8 Cb 0.00 0.50 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1aqy h TYR 8 CO 0.00 -0.41 0.00 0.66 -1.64 0.00 0.00 178.16 176.77 1aqy n TYR 9 N -5.42 0.05 -0.01 -3.82 4.01 -1.26 -1.29 117.16 109.42 1aqy n TYR 9 Ca -0.00 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.90 57.56 1aqy n TYR 9 Cb 0.34 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.23 1aqy n TYR 9 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1aqy n GLU 10 N -0.52 0.70 0.12 -0.72 1.02 -0.56 -4.31 120.64 116.38 1aqy n GLU 10 Ca 0.11 0.27 -0.24 0.00 -0.02 0.00 0.00 57.16 57.27 1aqy n GLU 10 Cb 0.09 -1.74 -0.16 0.00 -0.02 0.00 0.00 31.44 29.62 1aqy n GLU 10 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1aqy h VAL 11 N 0.04 1.26 -3.78 2.62 2.07 -1.10 -3.47 116.25 113.89 1aqy h VAL 11 Ca -0.37 -2.64 -0.68 0.00 0.82 0.00 0.00 66.70 63.83 1aqy h VAL 11 Cb 2.03 3.03 -0.20 0.00 -1.52 0.00 0.00 31.29 34.63 1aqy h VAL 11 CO 0.08 0.80 -0.74 -0.36 0.02 0.00 0.00 177.57 177.36 1aqy s PHE 12 N -2.57 2.76 -0.04 1.57 0.08 -0.41 -2.68 117.98 116.69 1aqy s PHE 12 Ca -0.11 -0.12 -0.07 0.00 0.12 0.00 0.00 56.93 56.75 1aqy s PHE 12 Cb 0.04 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 1aqy s PHE 12 CO 0.91 0.31 0.17 0.20 -0.10 0.00 0.00 175.22 176.71 1aqy s GLY 13 N -1.30 -0.07 0.10 4.36 0.00 -0.60 -4.45 107.32 105.36 1aqy s GLY 13 Ca 0.15 0.28 -0.31 0.00 0.00 0.00 0.00 44.72 44.84 1aqy s GLY 13 CO 0.06 0.18 1.48 1.85 0.00 0.00 0.00 173.10 176.66 1aqy s GLU 14 N -0.45 4.27 -0.22 2.90 2.56 -1.26 -1.74 118.70 124.75 1aqy s GLU 14 Ca -0.05 2.16 -0.00 0.00 0.00 0.00 0.00 54.97 57.08 1aqy s GLU 14 Cb -0.04 -3.35 0.06 0.00 2.00 0.00 0.00 34.13 32.80 1aqy s GLU 14 CO 0.01 -0.55 -0.03 0.12 -0.56 0.00 0.00 175.26 174.25 1aqy s PHE 15 N 1.64 2.05 -1.43 5.30 5.36 -0.01 -4.80 117.98 126.09 1aqy s PHE 15 Ca 0.67 -1.53 -0.06 0.00 -0.96 0.00 0.00 56.93 55.05 1aqy s PHE 15 Cb -0.38 -1.44 0.04 0.00 -0.34 0.00 0.00 43.02 40.90 1aqy s PHE 15 CO 0.30 -0.73 0.76 0.54 -1.46 0.00 0.00 175.22 174.63 1aqy n ARG 16 N 4.77 -4.80 -0.99 10.12 1.74 -1.26 -1.80 116.66 124.43 1aqy n ARG 16 Ca -0.11 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1aqy n ARG 16 Cb 0.45 -5.19 0.00 0.00 -1.02 0.00 0.00 32.46 26.70 1aqy n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aqy n GLY 17 N -1.67 0.52 2.94 -0.13 0.00 -1.26 -5.03 105.19 100.56 1aqy n GLY 17 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1aqy n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqy s VAL 18 N -2.18 1.06 0.08 1.61 1.01 -0.74 -4.96 120.40 116.27 1aqy s VAL 18 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1aqy s VAL 18 Cb 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 36.38 35.26 1aqy s VAL 18 CO 0.00 0.36 1.57 -0.22 0.00 0.00 0.00 175.10 176.81 1aqy s LEU 19 N 1.39 4.36 0.06 3.92 2.96 -1.26 -0.83 118.68 129.28 1aqy s LEU 19 Ca -0.01 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 56.33 1aqy s LEU 19 Cb -0.14 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1aqy s LEU 19 CO -0.05 -0.82 -0.05 -0.04 -1.32 0.00 0.00 176.35 174.07 1aqy s MET 20 N 2.21 0.65 -0.05 1.98 -1.94 -0.71 -0.60 119.30 120.85 1aqy s MET 20 Ca 0.71 -1.15 -0.30 0.00 -1.71 0.00 0.00 55.69 53.24 1aqy s MET 20 Cb -0.39 -0.01 -0.05 0.00 2.01 0.00 0.00 34.83 36.39 1aqy s MET 20 CO 0.31 -0.05 1.55 0.34 -0.01 0.00 0.00 175.02 177.16 1aqy s ASP 21 N -2.66 6.73 0.60 3.03 -1.08 -1.26 -1.55 116.67 120.48 1aqy s ASP 21 Ca 0.04 2.16 0.30 0.00 -0.52 0.00 0.00 52.55 54.53 1aqy s ASP 21 Cb 0.03 -2.54 1.68 0.00 -1.46 0.00 0.00 42.92 40.62 1aqy s ASP 21 CO -0.06 -0.86 2.08 0.11 0.52 0.00 0.00 175.17 176.95 1aqy h LYS 22 N 8.94 0.00 0.00 4.34 1.57 -1.85 -0.64 116.57 128.93 1aqy h LYS 22 Ca -0.37 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 1aqy h LYS 22 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1aqy h LYS 22 CO 0.95 0.00 -0.17 0.00 -0.57 0.00 0.00 179.45 179.66 1aqy h ARG 23 N 0.00 0.00 -0.00 3.15 3.08 -1.87 -2.32 114.38 116.41 1aqy h ARG 23 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1aqy h ARG 23 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1aqy h ARG 23 CO -0.00 0.17 -0.36 1.19 -1.07 0.00 0.00 179.97 179.89 1aqy n PHE 24 N -3.46 0.00 0.17 3.04 3.72 -0.25 -4.19 117.46 116.49 1aqy n PHE 24 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.41 1aqy n PHE 24 Cb 0.34 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 1aqy n PHE 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1aqy n THR 25 N -1.07 0.00 -0.32 4.37 -2.24 -1.06 -4.59 114.28 109.37 1aqy n THR 25 Ca 0.09 -0.35 0.07 0.00 -2.27 0.00 0.00 64.05 61.59 1aqy n THR 25 Cb 0.34 0.90 0.27 0.00 -2.10 0.00 0.00 70.33 69.73 1aqy n THR 25 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1aqy h LYS 26 N 0.00 0.93 -1.13 -0.78 3.64 -1.59 -2.55 116.57 115.08 1aqy h LYS 26 Ca 0.00 -0.06 -0.60 0.00 -1.27 0.00 0.00 60.65 58.73 1aqy h LYS 26 Cb 0.12 -0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 31.33 1aqy h LYS 26 CO 0.00 0.61 -0.45 0.66 -2.27 0.00 0.00 179.45 178.01 1aqy n TYR 27 N -4.55 3.05 -0.17 1.91 4.01 -1.26 -4.87 117.16 115.26 1aqy n TYR 27 Ca 0.16 -2.62 0.24 0.00 -0.16 0.00 0.00 57.90 55.53 1aqy n TYR 27 Cb 0.31 -0.45 0.65 0.00 -0.31 0.00 0.00 39.34 39.54 1aqy n TYR 27 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 1aqy h TRP 28 N 2.36 0.18 -0.78 -0.72 2.91 -1.70 -2.20 115.95 115.99 1aqy h TRP 28 Ca 0.39 0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.57 1aqy h TRP 28 Cb 1.13 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.68 1aqy h TRP 28 CO 0.93 0.04 0.52 0.93 -1.03 0.00 0.00 178.44 179.84 1aqy h GLU 29 N 0.13 0.40 -0.09 2.65 3.07 -1.89 -0.49 114.58 118.36 1aqy h GLU 29 Ca 0.42 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.19 1aqy h GLU 29 Cb 1.44 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.25 1aqy h GLU 29 CO -0.06 0.26 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.13 1aqy h ASP 30 N 0.41 0.15 0.05 1.42 3.32 -1.81 -2.00 116.42 117.96 1aqy h ASP 30 Ca 0.39 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.30 1aqy h ASP 30 Cb 0.91 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1aqy h ASP 30 CO -0.13 0.40 -0.49 0.58 -1.72 0.00 0.00 179.24 177.89 1aqy h VAL 31 N 0.14 1.55 -0.99 -1.35 2.07 -1.30 -3.19 116.25 113.19 1aqy h VAL 31 Ca 0.02 -2.38 0.10 0.00 0.82 0.00 0.00 66.70 65.26 1aqy h VAL 31 Cb 0.52 3.15 -0.08 0.00 -1.52 0.00 0.00 31.29 33.36 1aqy h VAL 31 CO 0.04 0.61 0.62 -0.08 0.02 0.00 0.00 177.57 178.78 1aqy h GLU 32 N -0.77 1.01 -0.55 1.57 4.81 -1.21 -1.97 114.58 117.47 1aqy h GLU 32 Ca -0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1aqy h GLU 32 Cb 1.27 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1aqy h GLU 32 CO 0.02 0.67 0.00 -1.33 -0.73 0.00 0.00 179.01 177.64 1aqy n MET 33 N -4.59 2.35 -1.67 1.92 2.81 -0.76 -4.57 117.12 112.61 1aqy n MET 33 Ca 0.17 -1.93 -0.44 0.00 -1.81 0.00 0.00 57.70 53.69 1aqy n MET 33 Cb 0.29 -1.46 -0.02 0.00 -0.71 0.00 0.00 33.22 31.32 1aqy n MET 33 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1aqy n PHE 34 N 1.00 2.10 -3.55 2.03 7.35 -0.74 -4.96 117.46 120.69 1aqy n PHE 34 Ca 0.18 0.51 -0.39 0.00 -0.76 0.00 0.00 57.45 56.99 1aqy n PHE 34 Cb 0.49 -2.42 -0.11 0.00 0.35 0.00 0.00 39.48 37.79 1aqy n PHE 34 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1aqy s LEU 35 N -0.29 4.32 0.47 -2.13 2.96 -1.26 -4.60 118.68 118.15 1aqy s LEU 35 Ca 0.62 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 54.25 1aqy s LEU 35 Cb -0.63 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1aqy s LEU 35 CO 0.56 -0.16 0.73 0.00 -1.32 0.00 0.00 176.35 176.16 1aqy s ALA 36 N 1.74 3.53 0.10 5.97 0.00 -1.26 -5.09 121.76 126.74 1aqy s ALA 36 Ca 0.06 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.35 1aqy s ALA 36 Cb -0.17 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1aqy s ALA 36 CO 0.11 -0.37 -0.16 1.03 0.00 0.00 0.00 175.76 176.36 1aqy s ARG 37 N -4.66 1.91 0.41 0.00 0.52 -1.26 -5.01 118.95 110.86 1aqy s ARG 37 Ca 0.47 -1.11 0.16 0.00 -0.52 0.00 0.00 55.73 54.73 1aqy s ARG 37 Cb -0.10 -2.17 1.04 0.00 0.52 0.00 0.00 34.95 34.24 1aqy s ARG 37 CO 0.41 0.50 1.87 -1.35 0.02 0.00 0.00 175.30 176.75 1aqy h PRO 38 N 3.87 0.44 -0.63 3.54 0.11 -1.98 -2.39 132.00 134.97 1aqy h PRO 38 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1aqy h PRO 38 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1aqy h PRO 38 CO 0.47 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 1aqy n ASP 39 N -4.52 3.85 -4.77 -2.05 5.75 -1.26 -4.65 116.55 108.90 1aqy n ASP 39 Ca 0.18 -2.36 -0.37 0.00 -0.01 0.00 0.00 54.79 52.23 1aqy n ASP 39 Cb 0.63 -0.51 -0.01 0.00 -1.03 0.00 0.00 41.12 40.20 1aqy n ASP 39 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1aqy s ASP 40 N -0.80 6.20 -0.13 -1.12 1.01 -0.90 -4.50 116.67 116.44 1aqy s ASP 40 Ca 0.40 2.29 0.02 0.00 0.71 0.00 0.00 52.55 55.98 1aqy s ASP 40 Cb 0.26 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.60 1aqy s ASP 40 CO 0.19 -0.89 -0.20 -0.22 0.21 0.00 0.00 175.17 174.25 1aqy s LEU 41 N -3.00 2.00 -0.22 1.23 2.96 -0.81 -4.01 118.68 116.84 1aqy s LEU 41 Ca 0.63 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.90 1aqy s LEU 41 Cb -0.28 -1.35 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1aqy s LEU 41 CO 0.34 0.07 0.12 -0.69 -1.32 0.00 0.00 176.35 174.87 1aqy s VAL 42 N 0.82 5.09 -0.33 1.68 1.01 -0.97 -1.21 120.40 126.49 1aqy s VAL 42 Ca -0.08 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1aqy s VAL 42 Cb -0.16 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1aqy s VAL 42 CO -0.01 0.40 0.10 -0.63 0.00 0.00 0.00 175.10 174.96 1aqy s ILE 43 N 0.77 3.80 -0.03 2.22 1.01 0.00 -0.52 121.20 128.46 1aqy s ILE 43 Ca 0.06 -1.06 0.06 0.00 0.00 0.00 0.00 60.65 59.71 1aqy s ILE 43 Cb -0.13 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1aqy s ILE 43 CO 0.02 -0.13 -0.19 0.00 0.00 0.00 0.00 174.94 174.64 1aqy s ALA 44 N 1.42 2.48 0.15 9.38 0.00 -0.29 -2.19 121.76 132.69 1aqy s ALA 44 Ca -0.01 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.71 1aqy s ALA 44 Cb -0.19 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.19 1aqy s ALA 44 CO 0.03 0.55 0.48 0.95 0.00 0.00 0.00 175.76 177.76 1aqy s THR 45 N -0.72 0.04 0.19 0.00 -4.23 -1.05 -2.38 115.64 107.50 1aqy s THR 45 Ca 0.11 -0.44 -0.18 0.00 -1.18 0.00 0.00 61.69 60.01 1aqy s THR 45 Cb -0.10 -1.18 -0.08 0.00 1.34 0.00 0.00 72.50 72.48 1aqy s THR 45 CO 0.01 -0.20 0.66 -0.47 -0.54 0.00 0.00 174.62 174.08 1aqy s TYR 46 N -3.80 3.64 0.23 3.99 5.04 -1.26 -4.21 117.35 120.98 1aqy s TYR 46 Ca 0.03 1.27 -0.29 0.00 -2.44 0.00 0.00 57.07 55.64 1aqy s TYR 46 Cb 0.01 -2.53 -0.15 0.00 0.35 0.00 0.00 41.96 39.63 1aqy s TYR 46 CO -0.11 0.37 0.89 -2.30 -1.34 0.00 0.00 175.55 173.06 1aqy n PRO 47 N 0.77 0.86 -2.22 4.97 -0.02 -1.26 -3.26 135.00 134.83 1aqy n PRO 47 Ca -0.03 0.30 -0.12 0.00 -2.02 0.00 0.00 63.50 61.63 1aqy n PRO 47 Cb 0.51 -1.59 -0.01 0.00 -0.02 0.00 0.00 33.50 32.40 1aqy n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1aqy n LYS 48 N 1.02 -0.96 -0.10 -0.52 4.76 -1.26 -4.90 118.16 116.20 1aqy n LYS 48 Ca 0.13 0.59 0.11 0.00 -2.87 0.00 0.00 58.31 56.27 1aqy n LYS 48 Cb 0.28 -4.75 0.15 0.00 -1.84 0.00 0.00 35.03 28.87 1aqy n LYS 48 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1aqy n SER 49 N -0.29 3.11 0.00 4.39 7.64 -1.20 -4.80 113.62 122.46 1aqy n SER 49 Ca -0.14 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.80 1aqy n SER 49 Cb 0.61 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1aqy n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aqy n GLY 50 N 1.30 1.61 0.22 0.23 0.00 -1.26 -4.60 105.19 102.69 1aqy n GLY 50 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1aqy n GLY 50 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1aqy h THR 51 N 0.00 0.60 -0.79 2.61 2.02 -1.92 -2.27 112.91 113.16 1aqy h THR 51 Ca 0.00 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1aqy h THR 51 Cb 0.00 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1aqy h THR 51 CO 0.00 0.03 0.33 0.74 0.37 0.00 0.00 175.52 177.00 1aqy h THR 52 N 0.18 1.26 0.44 3.16 2.02 -1.99 -1.98 112.91 116.00 1aqy h THR 52 Ca 0.30 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1aqy h THR 52 Cb 0.46 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1aqy h THR 52 CO -0.44 0.33 -0.21 -0.25 0.37 0.00 0.00 175.52 175.32 1aqy h TRP 53 N 1.14 -0.54 0.00 3.16 7.01 -1.84 -2.64 115.95 122.24 1aqy h TRP 53 Ca 0.27 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 1aqy h TRP 53 Cb 0.19 0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1aqy h TRP 53 CO 0.02 -0.29 -0.14 0.97 -2.79 0.00 0.00 178.44 176.21 1aqy h ILE 54 N -0.67 0.34 -0.33 2.65 2.10 -1.48 -2.88 117.51 117.24 1aqy h ILE 54 Ca -0.06 -0.91 -0.07 0.00 1.08 0.00 0.00 64.86 64.90 1aqy h ILE 54 Cb 0.50 1.69 -0.01 0.00 -1.09 0.00 0.00 36.82 37.90 1aqy h ILE 54 CO 0.10 0.14 -0.08 0.28 -1.08 0.00 0.00 178.15 177.50 1aqy h SER 55 N 0.00 0.64 -0.27 2.19 0.02 -1.29 -2.30 113.55 112.55 1aqy h SER 55 Ca -0.00 -0.37 -0.10 0.00 -0.84 0.00 0.00 61.79 60.48 1aqy h SER 55 Cb 0.68 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1aqy h SER 55 CO 0.02 0.86 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.33 1aqy h GLU 56 N 0.42 0.71 -0.20 3.45 4.57 -1.33 -1.82 114.58 120.37 1aqy h GLU 56 Ca 0.08 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 1aqy h GLU 56 Cb 0.58 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1aqy h GLU 56 CO 0.03 0.83 0.09 0.28 -1.18 0.00 0.00 179.01 179.06 1aqy h VAL 57 N 0.63 1.15 -0.56 0.32 2.07 -1.43 -2.00 116.25 116.43 1aqy h VAL 57 Ca 0.10 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1aqy h VAL 57 Cb 0.63 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1aqy h VAL 57 CO 0.04 0.15 0.06 0.58 0.02 0.00 0.00 177.57 178.42 1aqy h VAL 58 N 0.18 1.25 -0.48 2.57 2.07 -1.32 -2.55 116.25 117.97 1aqy h VAL 58 Ca 0.07 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1aqy h VAL 58 Cb 0.15 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1aqy h VAL 58 CO -0.01 0.36 0.18 0.22 0.02 0.00 0.00 177.57 178.34 1aqy h TYR 59 N 0.85 0.74 -0.64 1.57 3.20 -1.18 -2.01 116.97 119.51 1aqy h TYR 59 Ca 0.17 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1aqy h TYR 59 Cb 0.42 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1aqy h TYR 59 CO 0.03 0.64 0.37 0.52 -1.64 0.00 0.00 178.16 178.08 1aqy h MET 60 N 0.63 0.86 -0.20 1.82 2.86 -1.20 -1.77 114.93 117.93 1aqy h MET 60 Ca 0.16 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1aqy h MET 60 Cb 0.22 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1aqy h MET 60 CO -0.01 0.61 0.08 0.82 1.06 0.00 0.00 176.91 179.47 1aqy h ILE 61 N 0.88 1.16 -0.87 -1.22 2.04 -1.06 0.55 117.51 118.99 1aqy h ILE 61 Ca 0.23 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1aqy h ILE 61 Cb -0.02 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1aqy h ILE 61 CO -0.04 0.16 0.57 1.88 0.00 0.00 0.00 178.15 180.72 1aqy h TYR 62 N 0.17 1.02 -0.04 1.37 -1.99 -0.89 -2.02 116.97 114.60 1aqy h TYR 62 Ca 0.07 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.82 1aqy h TYR 62 Cb 0.18 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.57 1aqy h TYR 62 CO -0.01 0.56 0.00 1.63 -0.00 0.00 0.00 178.16 180.34 1aqy n LYS 63 N -4.47 1.67 0.00 4.88 4.76 -0.71 -5.12 118.16 119.17 1aqy n LYS 63 Ca 0.12 -0.97 0.00 0.00 -2.87 0.00 0.00 58.31 54.59 1aqy n LYS 63 Cb 0.16 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1aqy n LYS 63 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1aqy n GLU 64 N 0.18 0.00 -3.13 1.97 -0.58 0.16 -5.05 120.64 114.19 1aqy n GLU 64 Ca 0.19 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.96 1aqy n GLU 64 Cb 0.35 -1.56 -0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1aqy n GLU 64 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1aqy s GLU 72 N 0.00 0.51 0.54 3.49 2.56 -1.26 -4.96 118.70 119.58 1aqy s GLU 72 Ca 0.00 0.22 -0.19 0.00 0.00 0.00 0.00 54.97 55.00 1aqy s GLU 72 Cb 0.00 0.16 -0.08 0.00 2.00 0.00 0.00 34.13 36.20 1aqy s GLU 72 CO 0.00 -0.86 0.69 -3.47 -0.56 0.00 0.00 175.26 171.06 1aqy n ASP 73 N 4.97 -0.30 -4.71 -1.70 -0.08 -1.26 -4.76 116.55 108.71 1aqy n ASP 73 Ca 0.07 0.81 -0.37 0.00 -1.51 0.00 0.00 54.79 53.79 1aqy n ASP 73 Cb 0.56 -1.24 0.07 0.00 2.34 0.00 0.00 41.12 42.85 1aqy n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1aqy n ALA 74 N -1.47 0.91 0.20 -1.67 0.00 -1.26 -4.81 120.51 112.42 1aqy n ALA 74 Ca 0.12 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.60 1aqy n ALA 74 Cb 0.46 -2.28 0.54 0.00 0.00 0.00 0.00 19.45 18.17 1aqy n ALA 74 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1aqy h ILE 75 N 0.44 1.07 0.00 0.00 2.10 -1.77 -1.55 117.51 117.80 1aqy h ILE 75 Ca -0.50 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.16 1aqy h ILE 75 Cb 1.34 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 1aqy h ILE 75 CO 0.52 0.09 0.00 2.22 -1.08 0.00 0.00 178.15 179.90 1aqy n PHE 76 N -4.44 0.00 -0.09 2.19 1.16 -1.26 -1.17 117.46 113.84 1aqy n PHE 76 Ca -0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.44 1aqy n PHE 76 Cb 0.15 -0.18 -0.10 0.00 -1.61 0.00 0.00 39.48 37.74 1aqy n PHE 76 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1aqy n ASN 77 N -1.18 2.17 0.03 5.98 3.02 -0.63 -4.15 115.26 120.50 1aqy n ASN 77 Ca 0.12 -0.08 -0.06 0.00 -0.03 0.00 0.00 54.58 54.53 1aqy n ASN 77 Cb 0.13 0.01 0.13 0.00 -0.61 0.00 0.00 39.78 39.44 1aqy n ASN 77 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1aqy h ARG 78 N 0.00 0.43 -2.85 3.52 3.08 -1.18 -3.38 114.38 114.00 1aqy h ARG 78 Ca -0.43 -0.23 -0.60 0.00 0.07 0.00 0.00 59.98 58.79 1aqy h ARG 78 Cb 1.74 0.01 -0.40 0.00 0.08 0.00 0.00 29.97 31.40 1aqy h ARG 78 CO -0.04 0.80 -0.77 0.42 -1.07 0.00 0.00 179.97 179.30 1aqy s ILE 79 N -4.12 1.11 0.36 2.04 1.01 -0.32 -4.82 121.20 116.46 1aqy s ILE 79 Ca -0.06 -2.47 -0.28 0.00 0.00 0.00 0.00 60.65 57.84 1aqy s ILE 79 Cb 0.12 -1.78 -0.12 0.00 0.01 0.00 0.00 42.46 40.70 1aqy s ILE 79 CO 0.81 -0.95 1.29 -2.65 0.00 0.00 0.00 174.94 173.43 1aqy n PRO 80 N 3.50 2.11 -2.86 2.79 -0.02 -1.26 -4.57 135.00 134.69 1aqy n PRO 80 Ca 0.12 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.91 1aqy n PRO 80 Cb 0.36 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 1aqy n PRO 80 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1aqy s TYR 81 N -1.12 2.75 0.05 6.00 6.14 -1.26 -1.80 117.35 128.11 1aqy s TYR 81 Ca 0.56 -0.72 -0.09 0.00 0.64 0.00 0.00 57.07 57.46 1aqy s TYR 81 Cb -0.55 -4.31 -0.02 0.00 0.42 0.00 0.00 41.96 37.49 1aqy s TYR 81 CO 0.62 -1.63 0.83 -0.11 0.64 0.00 0.00 175.55 175.89 1aqy n LEU 82 N 7.54 -0.32 -0.28 6.97 7.94 -0.22 -2.16 117.00 136.47 1aqy n LEU 82 Ca 0.03 0.90 0.14 0.00 -1.11 0.00 0.00 56.01 55.97 1aqy n LEU 82 Cb 0.46 -0.25 0.60 0.00 0.53 0.00 0.00 43.42 44.77 1aqy n LEU 82 CO 0.62 -0.62 0.89 -1.84 -1.11 0.00 0.00 177.39 175.32 1aqy n GLU 83 N -3.65 1.22 -1.94 1.96 0.00 -1.26 -3.51 120.64 113.46 1aqy n GLU 83 Ca 0.01 -0.56 -0.42 0.00 0.00 0.00 0.00 57.16 56.18 1aqy n GLU 83 Cb 0.08 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.00 1aqy n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1aqy s ARG 85 N 0.84 0.71 -0.41 0.00 6.06 -1.26 -1.95 118.95 122.94 1aqy s ARG 85 Ca 0.68 1.05 0.04 0.00 -2.50 0.00 0.00 55.73 55.00 1aqy s ARG 85 Cb -0.44 0.23 0.17 0.00 0.06 0.00 0.00 34.95 34.98 1aqy s ARG 85 CO 0.34 -0.12 0.36 1.21 -2.50 0.00 0.00 175.30 174.58 1aqy s ASN 86 N 1.02 1.35 0.95 -2.12 3.84 -0.45 -4.36 114.94 115.18 1aqy s ASN 86 Ca -0.05 -2.74 0.00 0.00 0.21 0.00 0.00 52.86 50.28 1aqy s ASN 86 Cb -0.05 -0.16 0.00 0.00 -0.55 0.00 0.00 41.25 40.49 1aqy s ASN 86 CO -0.10 -0.18 0.00 -0.62 -2.79 0.00 0.00 177.10 173.41 1aqy n GLU 87 N 3.10 0.00 -0.07 0.43 -0.58 -1.26 -2.18 120.64 120.08 1aqy n GLU 87 Ca 0.25 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 57.11 1aqy n GLU 87 Cb 0.47 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.53 1aqy n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1aqy n ASP 88 N 4.01 2.98 0.04 1.62 8.00 -1.26 -4.38 116.55 127.57 1aqy n ASP 88 Ca 0.00 -1.95 -0.18 0.00 0.71 0.00 0.00 54.79 53.37 1aqy n ASP 88 Cb 0.00 -0.09 -0.14 0.00 -0.02 0.00 0.00 41.12 40.87 1aqy n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1aqy h LEU 89 N 4.33 0.41 -7.94 0.64 5.85 -1.89 -3.46 115.31 113.25 1aqy h LEU 89 Ca 0.00 -0.67 -0.48 0.00 0.84 0.00 0.00 57.88 57.57 1aqy h LEU 89 Cb 0.93 -0.13 -0.33 0.00 0.37 0.00 0.00 40.66 41.50 1aqy h LEU 89 CO 0.00 1.58 -0.80 -0.63 -0.34 0.00 0.00 178.44 178.24 1aqy s ILE 90 N -2.59 0.95 -0.29 4.05 1.01 -1.16 -5.00 121.20 118.17 1aqy s ILE 90 Ca -0.13 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1aqy s ILE 90 Cb 0.07 -0.88 0.18 0.00 0.01 0.00 0.00 42.46 41.83 1aqy s ILE 90 CO 0.83 0.31 0.48 0.21 0.00 0.00 0.00 174.94 176.77 1aqy s ASN 91 N 0.60 -0.45 0.31 3.58 3.04 -1.26 -1.35 114.94 119.41 1aqy s ASN 91 Ca -0.12 -0.09 0.04 0.00 0.04 0.00 0.00 52.86 52.74 1aqy s ASN 91 Cb -0.14 1.50 0.50 0.00 -1.54 0.00 0.00 41.25 41.57 1aqy s ASN 91 CO 0.02 -0.33 1.78 1.23 -3.04 0.00 0.00 177.10 176.77 1aqy h GLY 92 N 8.09 0.50 1.03 1.21 0.00 -1.58 -2.79 103.07 109.52 1aqy h GLY 92 Ca -0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1aqy h GLY 92 CO 0.22 0.34 0.06 -2.22 0.00 0.00 0.00 176.54 174.94 1aqy h ILE 93 N 0.42 1.26 -0.57 2.60 1.08 -1.82 -2.04 117.51 118.44 1aqy h ILE 93 Ca 0.07 -1.02 -0.03 0.00 -0.39 0.00 0.00 64.86 63.49 1aqy h ILE 93 Cb 0.56 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 1aqy h ILE 93 CO 0.04 0.37 0.22 0.50 -0.69 0.00 0.00 178.15 178.59 1aqy h LYS 94 N 0.84 0.85 -0.90 2.37 3.64 -1.92 -1.24 116.57 120.22 1aqy h LYS 94 Ca 0.17 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1aqy h LYS 94 Cb 0.46 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1aqy h LYS 94 CO 0.02 0.74 0.55 1.96 -2.27 0.00 0.00 179.45 180.44 1aqy h GLN 95 N 0.78 1.21 -0.15 1.90 4.20 -1.32 -2.76 115.11 118.96 1aqy h GLN 95 Ca 0.19 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.64 1aqy h GLN 95 Cb 0.21 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1aqy h GLN 95 CO -0.01 0.84 -0.57 -0.07 -0.67 0.00 0.00 178.83 178.35 1aqy h LEU 96 N 1.23 0.54 -1.68 1.46 3.38 -0.95 -2.64 115.31 116.65 1aqy h LEU 96 Ca 0.32 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1aqy h LEU 96 Cb -0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1aqy h LEU 96 CO -0.06 0.99 -0.19 0.11 0.09 0.00 0.00 178.44 179.38 1aqy h LYS 97 N 0.37 0.00 -0.39 1.13 1.57 -0.97 -2.41 116.57 115.87 1aqy h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aqy h LYS 97 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1aqy h LYS 97 CO 0.10 0.19 0.00 0.39 -0.57 0.00 0.00 179.45 179.56 1aqy n GLU 98 N -3.96 2.43 -3.36 3.15 1.02 -1.08 -4.95 120.64 113.89 1aqy n GLU 98 Ca -0.02 -2.16 -0.38 0.00 -0.02 0.00 0.00 57.16 54.58 1aqy n GLU 98 Cb 0.27 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 1aqy n GLU 98 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1aqy s LYS 99 N -1.50 4.15 0.44 3.49 2.47 -0.91 -5.07 119.74 122.81 1aqy s LYS 99 Ca 0.39 0.54 -0.22 0.00 -1.56 0.00 0.00 55.97 55.12 1aqy s LYS 99 Cb 0.22 -3.30 -0.09 0.00 -1.46 0.00 0.00 37.83 33.20 1aqy s LYS 99 CO 0.31 0.49 1.02 -1.21 0.16 0.00 0.00 175.35 176.12 1aqy s GLU 100 N -0.49 4.03 0.45 4.03 8.01 -1.26 -4.94 118.70 128.53 1aqy s GLU 100 Ca 0.26 1.37 -0.21 0.00 0.01 0.00 0.00 54.97 56.41 1aqy s GLU 100 Cb -0.17 -2.30 -0.10 0.00 -4.31 0.00 0.00 34.13 27.25 1aqy s GLU 100 CO 0.14 -0.23 0.98 -1.12 0.01 0.00 0.00 175.26 175.04 1aqy s SER 101 N -1.85 6.74 -0.01 -0.19 0.01 -1.26 -4.01 113.70 113.12 1aqy s SER 101 Ca 0.62 1.78 -0.27 0.00 1.31 0.00 0.00 55.95 59.39 1aqy s SER 101 Cb -0.17 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1aqy s SER 101 CO 0.22 -0.50 0.86 -2.16 0.41 0.00 0.00 173.24 172.06 1aqy s PRO 102 N -3.18 4.52 0.18 12.44 0.04 -1.26 -5.17 135.00 142.57 1aqy s PRO 102 Ca 0.64 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 1aqy s PRO 102 Cb -0.12 -3.44 -0.08 0.00 0.04 0.00 0.00 34.50 30.91 1aqy s PRO 102 CO 0.16 0.04 0.63 1.03 0.04 0.00 0.00 177.00 178.90 1aqy s ARG 103 N 0.77 4.10 -0.17 4.56 0.52 -1.26 -5.01 118.95 122.46 1aqy s ARG 103 Ca 0.45 0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 56.30 1aqy s ARG 103 Cb -0.20 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 1aqy s ARG 103 CO 0.24 0.43 -0.09 0.42 0.02 0.00 0.00 175.30 176.32 1aqy s ILE 104 N -1.51 3.16 -0.15 1.52 1.01 -1.26 -1.92 121.20 122.05 1aqy s ILE 104 Ca 0.41 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 1aqy s ILE 104 Cb -0.16 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1aqy s ILE 104 CO 0.20 0.48 -0.13 -0.69 0.00 0.00 0.00 174.94 174.80 1aqy s VAL 105 N 0.88 2.94 -0.13 2.92 1.01 -0.35 -4.08 120.40 123.59 1aqy s VAL 105 Ca -0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1aqy s VAL 105 Cb -0.15 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1aqy s VAL 105 CO 0.00 0.51 0.09 -0.75 0.00 0.00 0.00 175.10 174.95 1aqy s LYS 106 N 0.69 3.49 0.09 2.72 2.20 -0.75 -0.82 119.74 127.36 1aqy s LYS 106 Ca -0.06 -0.24 -0.16 0.00 -0.36 0.00 0.00 55.97 55.15 1aqy s LYS 106 Cb -0.15 -3.12 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1aqy s LYS 106 CO 0.02 0.63 0.37 -0.08 -0.36 0.00 0.00 175.35 175.94 1aqy s THR 107 N -0.64 0.07 -0.00 3.43 -1.32 -0.93 -1.05 115.64 115.20 1aqy s THR 107 Ca 0.12 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1aqy s THR 107 Cb -0.12 -1.09 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 1aqy s THR 107 CO 0.02 -0.33 0.97 1.41 -2.21 0.00 0.00 174.62 174.48 1aqy n HIS 108 N 0.13 0.00 -2.56 9.09 8.25 -1.26 -2.52 115.22 126.35 1aqy n HIS 108 Ca -0.17 -0.48 -0.38 0.00 -0.26 0.00 0.00 57.72 56.43 1aqy n HIS 108 Cb 0.62 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 1aqy n HIS 108 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1aqy s LEU 109 N -0.96 4.33 0.73 2.41 1.43 -1.26 -4.79 118.68 120.57 1aqy s LEU 109 Ca 0.00 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 1aqy s LEU 109 Cb 0.00 -3.94 0.03 0.00 0.03 0.00 0.00 46.19 42.31 1aqy s LEU 109 CO 0.00 -0.29 1.07 -2.16 0.23 0.00 0.00 176.35 175.21 1aqy s PRO 110 N -2.01 2.64 0.31 1.29 0.04 -1.26 -4.82 135.00 131.19 1aqy s PRO 110 Ca 0.51 0.99 0.07 0.00 0.04 0.00 0.00 61.00 62.62 1aqy s PRO 110 Cb -0.25 -1.95 0.79 0.00 0.04 0.00 0.00 34.50 33.13 1aqy s PRO 110 CO 0.32 -1.32 1.77 -1.35 0.04 0.00 0.00 177.00 176.46 1aqy h PRO 111 N -0.89 0.69 0.00 0.56 0.11 -1.92 -1.84 132.00 128.71 1aqy h PRO 111 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1aqy h PRO 111 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1aqy h PRO 111 CO 0.55 0.45 0.00 1.57 -0.21 0.00 0.00 178.00 180.37 1aqy h LYS 112 N 0.71 0.00 0.00 1.05 2.10 -1.99 -2.98 116.57 115.45 1aqy h LYS 112 Ca 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 1aqy h LYS 112 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1aqy h LYS 112 CO -0.39 0.00 -0.82 1.28 -2.00 0.00 0.00 179.45 177.53 1aqy n LEU 113 N -2.55 0.77 -4.77 7.07 4.77 -0.70 -4.99 117.00 116.59 1aqy n LEU 113 Ca 0.01 -0.49 -0.39 0.00 -0.03 0.00 0.00 56.01 55.11 1aqy n LEU 113 Cb 0.20 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1aqy n LEU 113 CO 0.20 0.19 0.92 -0.22 -1.33 0.00 0.00 177.39 177.16 1aqy s LEU 114 N -2.83 4.23 0.03 2.23 2.96 -1.13 -4.91 118.68 119.25 1aqy s LEU 114 Ca 0.06 2.56 -0.35 0.00 -0.22 0.00 0.00 54.13 56.18 1aqy s LEU 114 Cb 0.13 -3.92 -0.14 0.00 0.50 0.00 0.00 46.19 42.76 1aqy s LEU 114 CO 0.69 -0.77 1.65 -2.65 -1.32 0.00 0.00 176.35 173.94 1aqy n PRO 115 N 0.17 1.88 0.28 0.98 -0.02 -1.26 -4.85 135.00 132.19 1aqy n PRO 115 Ca 0.04 0.68 0.17 0.00 -2.02 0.00 0.00 63.50 62.37 1aqy n PRO 115 Cb 0.44 -2.45 0.94 0.00 -0.02 0.00 0.00 33.50 32.42 1aqy n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aqy h ALA 116 N 6.82 1.51 -0.20 3.55 0.00 -1.91 -2.55 119.26 126.47 1aqy h ALA 116 Ca -0.47 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1aqy h ALA 116 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1aqy h ALA 116 CO 0.90 -0.08 0.14 1.03 0.00 0.00 0.00 179.25 181.24 1aqy h SER 117 N 0.00 0.07 -0.61 0.00 0.87 -1.89 -1.07 113.55 110.92 1aqy h SER 117 Ca 0.02 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 1aqy h SER 117 Cb 0.13 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1aqy h SER 117 CO -0.00 0.05 0.03 -0.26 -0.53 0.00 0.00 176.83 176.12 1aqy h PHE 118 N 0.08 1.16 -0.10 2.24 0.04 -1.79 -1.80 116.94 116.76 1aqy h PHE 118 Ca 0.09 -0.19 -0.12 0.00 2.80 0.00 0.00 57.97 60.56 1aqy h PHE 118 Cb 0.27 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.12 1aqy h PHE 118 CO -0.00 1.00 -0.41 -1.49 -0.60 0.00 0.00 178.31 176.82 1aqy h TRP 119 N 0.99 0.59 -0.91 -0.55 4.06 -1.51 -2.71 115.95 115.91 1aqy h TRP 119 Ca 0.18 -0.26 0.11 0.00 2.06 0.00 0.00 58.89 60.98 1aqy h TRP 119 Cb 0.52 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 28.52 1aqy h TRP 119 CO 0.04 1.01 0.58 1.49 -3.56 0.00 0.00 178.44 178.00 1aqy h GLU 120 N 0.01 0.84 -0.22 0.49 4.22 -1.12 -1.50 114.58 117.30 1aqy h GLU 120 Ca -0.02 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1aqy h GLU 120 Cb 1.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1aqy h GLU 120 CO 0.09 0.56 0.00 1.63 -2.18 0.00 0.00 179.01 179.10 1aqy n LYS 121 N -4.55 1.87 -3.76 1.92 5.02 -0.69 -4.96 118.16 113.01 1aqy n LYS 121 Ca 0.16 -1.31 -0.25 0.00 -2.02 0.00 0.00 58.31 54.88 1aqy n LYS 121 Cb 0.34 -1.40 0.04 0.00 -0.02 0.00 0.00 35.03 33.99 1aqy n LYS 121 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1aqy n ASN 122 N 0.54 -3.65 -4.77 4.39 4.05 -0.57 -4.83 115.26 110.42 1aqy n ASN 122 Ca 0.16 -0.74 -0.36 0.00 0.45 0.00 0.00 54.58 54.09 1aqy n ASN 122 Cb 0.37 -4.21 -0.00 0.00 1.23 0.00 0.00 39.78 37.17 1aqy n ASN 122 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1aqy s LYS 124 N -2.99 4.01 0.04 0.00 1.02 -1.26 -4.88 119.74 115.67 1aqy s LYS 124 Ca 0.68 1.62 -0.04 0.00 0.02 0.00 0.00 55.97 58.25 1aqy s LYS 124 Cb -0.26 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1aqy s LYS 124 CO 0.31 -0.30 0.07 -1.64 -0.92 0.00 0.00 175.35 172.87 1aqy s MET 125 N -2.57 0.55 -0.11 1.68 -1.94 -0.57 -2.28 119.30 114.06 1aqy s MET 125 Ca 0.60 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.82 1aqy s MET 125 Cb -0.25 0.21 0.02 0.00 2.01 0.00 0.00 34.83 36.83 1aqy s MET 125 CO 0.31 -0.13 -0.10 0.42 -0.01 0.00 0.00 175.02 175.51 1aqy s ILE 126 N -2.54 1.14 -0.13 2.53 1.01 0.33 -1.57 121.20 121.97 1aqy s ILE 126 Ca -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 1aqy s ILE 126 Cb -0.02 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 1aqy s ILE 126 CO -0.04 0.38 -0.09 -0.47 0.00 0.00 0.00 174.94 174.71 1aqy s TYR 127 N 1.40 2.89 -0.05 3.97 5.04 -0.12 -1.14 117.35 129.34 1aqy s TYR 127 Ca -0.00 -0.45 0.06 0.00 -2.44 0.00 0.00 57.07 54.24 1aqy s TYR 127 Cb -0.13 -1.86 -0.01 0.00 0.35 0.00 0.00 41.96 40.30 1aqy s TYR 127 CO -0.05 -0.09 -0.22 -1.17 -1.34 0.00 0.00 175.55 172.68 1aqy s LEU 128 N 0.21 2.01 0.31 6.97 2.96 -1.00 -1.03 118.68 129.10 1aqy s LEU 128 Ca -0.06 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1aqy s LEU 128 Cb -0.15 -1.20 -0.06 0.00 0.50 0.00 0.00 46.19 45.28 1aqy s LEU 128 CO 0.04 0.22 0.07 0.00 -1.32 0.00 0.00 176.35 175.36 1aqy s ARG 130 N -3.93 0.65 0.32 0.00 3.52 -1.26 -0.72 118.95 117.53 1aqy s ARG 130 Ca 0.37 -0.60 -0.29 0.00 -0.13 0.00 0.00 55.73 55.07 1aqy s ARG 130 Cb 0.08 0.27 -0.11 0.00 -1.56 0.00 0.00 34.95 33.63 1aqy s ARG 130 CO 0.15 -0.18 1.58 0.27 -0.81 0.00 0.00 175.30 176.31 1aqy n ASN 131 N 0.82 3.91 -0.29 -2.12 6.94 -1.26 -4.82 115.26 118.44 1aqy n ASN 131 Ca -0.19 1.17 0.11 0.00 -0.02 0.00 0.00 54.58 55.64 1aqy n ASN 131 Cb 0.58 -1.61 0.26 0.00 -2.36 0.00 0.00 39.78 36.66 1aqy n ASN 131 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aqy h ALA 132 N 4.38 1.26 -0.45 -2.53 0.00 -2.00 -2.38 119.26 117.54 1aqy h ALA 132 Ca -0.48 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1aqy h ALA 132 Cb 1.23 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1aqy h ALA 132 CO 0.76 -0.34 -0.05 0.87 0.00 0.00 0.00 179.25 180.48 1aqy h LYS 133 N 0.35 0.77 0.00 0.00 1.57 -2.00 -2.06 116.57 115.20 1aqy h LYS 133 Ca 0.51 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.94 1aqy h LYS 133 Cb 0.94 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1aqy h LYS 133 CO -0.53 0.81 -0.58 -0.44 -0.57 0.00 0.00 179.45 178.14 1aqy h ASP 134 N 0.71 0.00 -0.33 0.86 3.32 -1.83 -3.05 116.42 116.10 1aqy h ASP 134 Ca 0.13 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1aqy h ASP 134 Cb 0.51 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1aqy h ASP 134 CO 0.03 0.58 -0.26 0.58 -1.72 0.00 0.00 179.24 178.45 1aqy h VAL 135 N 0.00 1.29 -0.97 -1.35 2.07 -1.14 -2.85 116.25 113.30 1aqy h VAL 135 Ca -0.01 -1.42 0.03 0.00 0.82 0.00 0.00 66.70 66.13 1aqy h VAL 135 Cb 1.18 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 1aqy h VAL 135 CO 0.08 0.46 0.64 0.00 0.02 0.00 0.00 177.57 178.76 1aqy h ALA 136 N 0.75 1.36 -0.14 1.67 0.00 -1.31 -0.44 119.26 121.15 1aqy h ALA 136 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1aqy h ALA 136 Cb 0.83 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1aqy h ALA 136 CO 0.07 0.55 -0.01 0.28 0.00 0.00 0.00 179.25 180.13 1aqy h VAL 137 N 1.24 1.27 -0.70 0.00 2.07 -1.50 -2.32 116.25 116.30 1aqy h VAL 137 Ca 0.38 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1aqy h VAL 137 Cb -0.02 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1aqy h VAL 137 CO -0.11 0.26 0.25 -1.28 0.02 0.00 0.00 177.57 176.71 1aqy h SER 138 N -0.04 0.98 0.11 0.57 0.87 -1.25 -2.81 113.55 111.98 1aqy h SER 138 Ca 0.04 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.31 1aqy h SER 138 Cb 0.41 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1aqy h SER 138 CO 0.01 0.90 -0.43 0.22 -0.53 0.00 0.00 176.83 177.00 1aqy h TYR 139 N 1.03 0.48 -0.50 2.24 5.03 -1.09 -2.63 116.97 121.52 1aqy h TYR 139 Ca 0.23 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1aqy h TYR 139 Cb 0.25 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.40 1aqy h TYR 139 CO 0.02 0.76 0.33 -0.92 -1.32 0.00 0.00 178.16 177.03 1aqy h TYR 140 N 0.33 0.63 0.00 -3.82 3.20 -1.15 -2.37 116.97 113.79 1aqy h TYR 140 Ca 0.03 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1aqy h TYR 140 Cb 0.89 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1aqy h TYR 140 CO 0.03 0.40 -0.52 1.88 -1.64 0.00 0.00 178.16 178.30 1aqy h TYR 141 N 0.68 0.00 -0.64 -3.82 0.05 -1.46 -3.10 116.97 108.68 1aqy h TYR 141 Ca 0.18 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 1aqy h TYR 141 Cb -0.07 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 1aqy h TYR 141 CO -0.04 0.52 0.21 0.35 -1.05 0.00 0.00 178.16 178.16 1aqy h PHE 142 N 0.00 1.02 -0.19 4.88 3.57 -1.07 -1.61 116.94 123.54 1aqy h PHE 142 Ca -0.01 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 1aqy h PHE 142 Cb 0.93 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1aqy h PHE 142 CO 0.00 0.83 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.74 1aqy h LEU 143 N 0.92 0.29 -0.49 0.59 4.07 -1.37 -1.46 115.31 117.85 1aqy h LEU 143 Ca 0.21 -0.06 -0.16 0.00 0.08 0.00 0.00 57.88 57.95 1aqy h LEU 143 Cb 0.28 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1aqy h LEU 143 CO -0.01 0.43 -0.52 -0.07 -1.08 0.00 0.00 178.44 177.19 1aqy h LEU 144 N 0.29 0.71 -0.53 1.67 3.38 -1.42 -3.26 115.31 116.15 1aqy h LEU 144 Ca 0.06 -0.36 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 1aqy h LEU 144 Cb 0.36 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1aqy h LEU 144 CO 0.02 1.09 -0.30 -0.03 0.09 0.00 0.00 178.44 179.31 1aqy h MET 145 N 0.50 0.87 -6.41 1.13 4.05 -0.70 -3.43 114.93 110.95 1aqy h MET 145 Ca 0.02 -0.40 -0.57 0.00 -0.28 0.00 0.00 59.70 58.47 1aqy h MET 145 Cb 1.07 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.80 1aqy h MET 145 CO 0.10 1.05 0.97 0.42 0.23 0.00 0.00 176.91 179.68 1aqy s ILE 146 N -4.51 4.16 0.32 1.77 -1.09 -0.61 -1.93 121.20 119.31 1aqy s ILE 146 Ca -0.10 1.28 0.02 0.00 -2.23 0.00 0.00 60.65 59.62 1aqy s ILE 146 Cb 0.12 -4.24 0.28 0.00 -1.58 0.00 0.00 42.46 37.05 1aqy s ILE 146 CO 0.86 -0.57 1.92 0.71 -1.23 0.00 0.00 174.94 176.63 1aqy h THR 147 N 6.03 1.05 -0.05 2.92 1.35 -1.67 -2.38 112.91 120.16 1aqy h THR 147 Ca -0.25 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1aqy h THR 147 Cb 1.09 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1aqy h THR 147 CO 1.05 0.17 0.00 -1.54 -0.25 0.00 0.00 175.52 174.95 1aqy n SER 148 N -4.49 0.69 -4.53 5.36 3.41 -1.26 -4.78 113.62 108.02 1aqy n SER 148 Ca 0.13 -1.45 -0.35 0.00 -0.26 0.00 0.00 58.87 56.93 1aqy n SER 148 Cb 0.21 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 1aqy n SER 148 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1aqy s TYR 149 N -1.94 3.15 0.11 7.33 2.02 -0.90 -5.03 117.35 122.09 1aqy s TYR 149 Ca 0.34 -0.18 -0.32 0.00 -0.37 0.00 0.00 57.07 56.53 1aqy s TYR 149 Cb 0.17 -2.14 -0.11 0.00 -0.40 0.00 0.00 41.96 39.47 1aqy s TYR 149 CO 0.27 -0.10 1.80 -2.30 -1.57 0.00 0.00 175.55 173.65 1aqy n PRO 150 N 4.18 2.63 -2.03 -1.71 -0.02 -1.26 -4.81 135.00 131.97 1aqy n PRO 150 Ca -0.16 0.96 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 1aqy n PRO 150 Cb 0.52 -2.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 1aqy n PRO 150 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1aqy s ASN 151 N 2.58 6.69 0.56 2.55 0.02 -1.26 -4.93 114.94 121.16 1aqy s ASN 151 Ca 0.83 2.45 -0.21 0.00 -1.02 0.00 0.00 52.86 54.90 1aqy s ASN 151 Cb -0.54 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.11 1aqy s ASN 151 CO 0.39 -0.78 1.32 -2.65 0.02 0.00 0.00 177.10 175.41 1aqy n PRO 152 N 4.45 1.56 0.07 -0.60 -0.02 -1.26 -4.90 135.00 134.31 1aqy n PRO 152 Ca 0.13 0.58 0.02 0.00 -2.02 0.00 0.00 63.50 62.21 1aqy n PRO 152 Cb 0.41 -2.54 0.37 0.00 -0.02 0.00 0.00 33.50 31.72 1aqy n PRO 152 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1aqy h LYS 153 N 1.26 0.37 -2.29 -0.52 1.79 -1.96 -3.46 116.57 111.75 1aqy h LYS 153 Ca -0.51 -0.07 0.15 0.00 -2.18 0.00 0.00 60.65 58.04 1aqy h LYS 153 Cb 1.31 -0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.79 1aqy h LYS 153 CO 0.56 0.42 0.50 -1.54 -1.08 0.00 0.00 179.45 178.31 1aqy s SER 154 N -6.81 -0.26 0.17 0.86 1.04 -1.26 -5.02 113.70 102.42 1aqy s SER 154 Ca -0.07 -0.21 -0.13 0.00 0.48 0.00 0.00 55.95 56.02 1aqy s SER 154 Cb 0.16 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.78 1aqy s SER 154 CO 0.74 -0.76 1.81 0.15 0.98 0.00 0.00 173.24 176.17 1aqy h PHE 155 N 2.00 0.73 -0.84 5.02 3.57 -1.97 -2.41 116.94 123.04 1aqy h PHE 155 Ca -0.23 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.29 1aqy h PHE 155 Cb 1.24 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 1aqy h PHE 155 CO 0.32 0.50 0.54 0.77 -2.23 0.00 0.00 178.31 178.21 1aqy h SER 156 N 0.75 0.90 -0.69 0.41 0.02 -1.97 -1.10 113.55 111.88 1aqy h SER 156 Ca 0.20 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1aqy h SER 156 Cb -0.02 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 1aqy h SER 156 CO -0.04 0.63 0.45 -0.08 -1.14 0.00 0.00 176.83 176.64 1aqy h GLU 157 N 1.06 0.87 -0.58 3.45 4.57 -1.89 -1.66 114.58 120.39 1aqy h GLU 157 Ca 0.33 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 1aqy h GLU 157 Cb -0.02 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 1aqy h GLU 157 CO -0.11 0.57 0.21 0.35 -1.18 0.00 0.00 179.01 178.86 1aqy h PHE 158 N 0.89 0.91 -0.50 0.92 3.57 -0.90 -3.00 116.94 118.83 1aqy h PHE 158 Ca 0.27 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1aqy h PHE 158 Cb -0.04 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1aqy h PHE 158 CO -0.03 0.74 0.14 0.28 -2.23 0.00 0.00 178.31 177.21 1aqy h VAL 159 N 0.81 1.21 -0.91 1.41 2.07 -0.71 -0.67 116.25 119.46 1aqy h VAL 159 Ca 0.19 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1aqy h VAL 159 Cb 0.23 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1aqy h VAL 159 CO -0.01 0.27 0.61 -0.33 0.02 0.00 0.00 177.57 178.13 1aqy h GLU 160 N 0.73 1.20 -0.37 1.57 4.39 -1.19 -1.62 114.58 119.30 1aqy h GLU 160 Ca 0.17 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.64 1aqy h GLU 160 Cb 0.24 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1aqy h GLU 160 CO -0.01 0.80 -0.37 0.87 -1.16 0.00 0.00 179.01 179.14 1aqy h LYS 161 N 1.24 0.88 -0.66 2.33 1.57 -1.26 -3.05 116.57 117.63 1aqy h LYS 161 Ca 0.34 -0.45 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1aqy h LYS 161 Cb -0.14 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1aqy h LYS 161 CO -0.07 1.10 0.43 0.35 -0.57 0.00 0.00 179.45 180.69 1aqy h PHE 162 N 0.73 0.82 0.00 -1.35 3.04 -0.61 -0.83 116.94 118.73 1aqy h PHE 162 Ca 0.06 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.99 1aqy h PHE 162 Cb 0.95 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 1aqy h PHE 162 CO 0.06 0.51 -0.22 0.52 -2.02 0.00 0.00 178.31 177.16 1aqy h MET 163 N 0.88 0.00 0.00 1.11 2.86 -1.30 -2.44 114.93 116.04 1aqy h MET 163 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1aqy h MET 163 Cb -0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1aqy h MET 163 CO -0.06 0.22 -0.31 1.04 1.06 0.00 0.00 176.91 178.86 1aqy n GLN 164 N -4.17 0.01 -1.07 1.72 6.02 -0.84 -4.93 117.38 114.12 1aqy n GLN 164 Ca -0.02 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.95 1aqy n GLN 164 Cb 0.28 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 1aqy n GLN 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aqy n GLY 165 N 1.49 0.56 2.69 1.08 0.00 -0.66 -4.88 105.19 105.48 1aqy n GLY 165 Ca 0.06 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 1aqy n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1aqy n GLN 166 N -2.90 2.60 -4.22 1.61 1.13 -0.41 -3.85 117.38 111.34 1aqy n GLN 166 Ca -0.02 -3.08 -0.13 0.00 -1.94 0.00 0.00 57.00 51.83 1aqy n GLN 166 Cb 0.08 -2.21 -0.10 0.00 0.11 0.00 0.00 30.24 28.12 1aqy n GLN 166 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1aqy s VAL 167 N -4.13 0.95 0.17 5.09 -7.23 -1.26 -4.81 120.40 109.19 1aqy s VAL 167 Ca 0.54 -2.01 -0.33 0.00 -1.81 0.00 0.00 61.98 58.37 1aqy s VAL 167 Cb 0.42 -1.80 -0.15 0.00 0.56 0.00 0.00 36.38 35.42 1aqy s VAL 167 CO -0.30 -0.78 1.42 -2.65 -0.31 0.00 0.00 175.10 172.48 1aqy n PRO 168 N -0.14 1.78 -0.81 4.82 -0.02 -1.26 -1.25 135.00 138.13 1aqy n PRO 168 Ca -0.11 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1aqy n PRO 168 Cb 0.61 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1aqy n PRO 168 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1aqy n TYR 169 N 2.51 0.00 -4.43 6.00 4.01 0.23 -4.95 117.16 120.52 1aqy n TYR 169 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1aqy n TYR 169 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1aqy n TYR 169 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aqy n GLY 170 N -2.55 -0.06 3.66 2.72 0.00 -0.38 -4.85 105.19 103.73 1aqy n GLY 170 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1aqy n GLY 170 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aqy s SER 171 N -4.00 6.59 0.25 1.61 0.15 -1.25 -4.65 113.70 112.40 1aqy s SER 171 Ca 0.00 2.39 -0.05 0.00 0.70 0.00 0.00 55.95 58.99 1aqy s SER 171 Cb 0.00 -2.53 0.27 0.00 -1.71 0.00 0.00 66.02 62.05 1aqy s SER 171 CO 0.00 -0.96 1.83 -0.25 1.20 0.00 0.00 173.24 175.06 1aqy h TRP 172 N 9.82 1.10 -0.17 3.44 7.01 -1.89 -2.04 115.95 133.22 1aqy h TRP 172 Ca -0.43 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 60.51 1aqy h TRP 172 Cb 1.20 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 1aqy h TRP 172 CO 0.90 0.82 0.10 1.88 -2.79 0.00 0.00 178.44 179.35 1aqy h TYR 173 N 1.08 0.23 -0.46 2.65 0.05 -1.94 -1.80 116.97 116.78 1aqy h TYR 173 Ca 0.25 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.95 1aqy h TYR 173 Cb 0.16 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1aqy h TYR 173 CO 0.02 0.22 -0.03 -0.44 -1.05 0.00 0.00 178.16 176.88 1aqy h ASP 174 N 0.18 0.75 0.11 3.88 3.32 -1.94 -2.34 116.42 120.38 1aqy h ASP 174 Ca 0.06 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1aqy h ASP 174 Cb 0.06 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1aqy h ASP 174 CO -0.01 0.83 -0.05 -0.74 -1.72 0.00 0.00 179.24 177.55 1aqy h HIS 175 N 0.72 -0.13 -0.30 4.55 2.76 -1.15 -2.30 115.15 119.29 1aqy h HIS 175 Ca 0.14 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1aqy h HIS 175 Cb 0.48 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 1aqy h HIS 175 CO 0.02 0.05 0.00 0.28 -1.30 0.00 0.00 177.93 176.98 1aqy h VAL 176 N -0.29 1.26 -0.77 5.26 2.07 -1.33 -2.58 116.25 119.86 1aqy h VAL 176 Ca -0.01 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1aqy h VAL 176 Cb 0.24 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1aqy h VAL 176 CO 0.02 0.30 0.49 0.11 0.02 0.00 0.00 177.57 178.51 1aqy h LYS 177 N 0.32 1.03 -0.37 1.57 1.57 -1.45 -1.18 116.57 118.06 1aqy h LYS 177 Ca 0.09 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1aqy h LYS 177 Cb 0.43 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1aqy h LYS 177 CO 0.02 0.71 -0.20 0.00 -0.57 0.00 0.00 179.45 179.40 1aqy h ALA 178 N 1.26 0.52 0.00 3.86 0.00 -1.40 -2.75 119.26 120.76 1aqy h ALA 178 Ca 0.28 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1aqy h ALA 178 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1aqy h ALA 178 CO -0.06 0.48 -0.50 -1.49 0.00 0.00 0.00 179.25 177.68 1aqy h TRP 179 N 0.58 0.00 -0.59 0.00 4.06 -1.35 -2.66 115.95 115.98 1aqy h TRP 179 Ca 0.08 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.96 1aqy h TRP 179 Cb 0.76 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.89 1aqy h TRP 179 CO 0.06 0.50 0.11 2.35 -3.56 0.00 0.00 178.44 177.90 1aqy h TRP 180 N 0.00 1.03 -0.70 0.49 2.91 -1.11 -2.17 115.95 116.39 1aqy h TRP 180 Ca -0.01 -0.14 -0.05 0.00 1.13 0.00 0.00 58.89 59.82 1aqy h TRP 180 Cb 0.92 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 29.25 1aqy h TRP 180 CO 0.00 0.89 0.23 1.49 -1.03 0.00 0.00 178.44 180.02 1aqy h GLU 181 N 0.88 1.09 0.00 2.65 4.22 -1.32 -2.41 114.58 119.69 1aqy h GLU 181 Ca 0.18 -0.23 -0.03 0.00 0.08 0.00 0.00 59.36 59.36 1aqy h GLU 181 Cb 0.41 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1aqy h GLU 181 CO 0.01 0.93 -0.16 0.87 -2.18 0.00 0.00 179.01 178.48 1aqy h LYS 182 N 1.03 0.00 0.00 1.92 1.79 -1.17 -2.75 116.57 117.39 1aqy h LYS 182 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1aqy h LYS 182 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1aqy h LYS 182 CO -0.01 0.16 0.00 -1.13 -1.08 0.00 0.00 179.45 177.39 1aqy n SER 183 N -4.13 0.00 0.22 0.86 3.41 -0.84 -2.36 113.62 110.78 1aqy n SER 183 Ca -0.02 -0.66 0.07 0.00 -0.26 0.00 0.00 58.87 58.00 1aqy n SER 183 Cb 0.24 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.70 1aqy n SER 183 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1aqy h LYS 184 N 0.00 0.00 -6.71 4.33 1.57 -1.62 -3.42 116.57 110.72 1aqy h LYS 184 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1aqy h LYS 184 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 1aqy h LYS 184 CO 0.00 0.24 0.62 1.21 -0.57 0.00 0.00 179.45 180.95 1aqy s ASN 185 N -6.66 6.94 0.33 0.86 3.84 -0.99 -4.92 114.94 114.34 1aqy s ASN 185 Ca -0.03 2.40 0.25 0.00 0.21 0.00 0.00 52.86 55.69 1aqy s ASN 185 Cb 0.14 -2.62 1.15 0.00 -0.55 0.00 0.00 41.25 39.38 1aqy s ASN 185 CO 0.67 -0.47 1.76 0.77 -2.79 0.00 0.00 177.10 177.04 1aqy h SER 186 N 4.98 0.00 -0.35 -4.21 4.64 -1.91 -2.57 113.55 114.13 1aqy h SER 186 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1aqy h SER 186 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1aqy h SER 186 CO 0.74 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.24 1aqy n ARG 187 N -2.38 2.10 -3.94 4.77 1.74 -1.26 -4.72 116.66 112.97 1aqy n ARG 187 Ca 0.01 -1.68 -0.31 0.00 -0.77 0.00 0.00 57.85 55.10 1aqy n ARG 187 Cb 0.18 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.04 1aqy n ARG 187 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1aqy s VAL 188 N -1.55 1.72 -0.05 1.55 1.01 -0.97 -1.52 120.40 120.60 1aqy s VAL 188 Ca 0.34 -1.65 -0.22 0.00 0.00 0.00 0.00 61.98 60.45 1aqy s VAL 188 Cb 0.19 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1aqy s VAL 188 CO 0.26 -0.35 0.66 -0.22 0.00 0.00 0.00 175.10 175.45 1aqy s LEU 189 N 1.25 4.34 -0.18 3.92 2.96 -0.61 -4.62 118.68 125.74 1aqy s LEU 189 Ca 0.02 1.15 -0.04 0.00 -0.22 0.00 0.00 54.13 55.04 1aqy s LEU 189 Cb -0.19 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 43.47 1aqy s LEU 189 CO -0.10 -0.05 -0.03 0.12 -1.32 0.00 0.00 176.35 174.98 1aqy s PHE 190 N 0.52 3.02 0.14 5.38 2.19 -1.26 -0.94 117.98 127.02 1aqy s PHE 190 Ca 0.35 -0.43 0.01 0.00 0.33 0.00 0.00 56.93 57.19 1aqy s PHE 190 Cb -0.18 -2.01 -0.04 0.00 -1.31 0.00 0.00 43.02 39.48 1aqy s PHE 190 CO 0.17 -0.16 -0.01 -1.64 1.83 0.00 0.00 175.22 175.40 1aqy s MET 191 N 0.70 0.97 -0.02 10.12 -1.94 -0.20 -4.99 119.30 123.94 1aqy s MET 191 Ca -0.01 -1.44 0.07 0.00 -1.71 0.00 0.00 55.69 52.60 1aqy s MET 191 Cb -0.14 -0.15 -0.02 0.00 2.01 0.00 0.00 34.83 36.53 1aqy s MET 191 CO 0.02 -0.11 -0.24 -0.06 -0.01 0.00 0.00 175.02 174.62 1aqy s PHE 192 N -3.71 2.13 0.19 -0.03 0.40 -1.26 -1.93 117.98 113.77 1aqy s PHE 192 Ca 0.19 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 56.00 1aqy s PHE 192 Cb 0.06 -1.37 0.13 0.00 0.51 0.00 0.00 43.02 42.36 1aqy s PHE 192 CO 0.00 -0.04 1.85 -0.92 0.70 0.00 0.00 175.22 176.82 1aqy h TYR 193 N 5.54 0.79 0.00 0.36 3.20 -1.20 -2.38 116.97 123.28 1aqy h TYR 193 Ca -0.41 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.45 1aqy h TYR 193 Cb 1.13 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 1aqy h TYR 193 CO 0.39 0.48 -0.12 0.93 -1.64 0.00 0.00 178.16 178.20 1aqy h GLU 194 N 0.85 0.00 0.02 1.82 3.07 -1.96 -1.92 114.58 116.46 1aqy h GLU 194 Ca 0.25 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.89 1aqy h GLU 194 Cb -0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1aqy h GLU 194 CO -0.07 0.12 -0.95 -0.44 -1.40 0.00 0.00 179.01 176.27 1aqy h ASP 195 N 0.00 0.39 0.26 1.42 3.32 -1.83 -1.96 116.42 118.01 1aqy h ASP 195 Ca -0.00 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.60 1aqy h ASP 195 Cb 0.34 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1aqy h ASP 195 CO 0.02 1.14 -0.46 0.24 -1.72 0.00 0.00 179.24 178.46 1aqy h MET 196 N 0.15 0.25 -0.08 3.56 2.86 -1.21 -0.25 114.93 120.20 1aqy h MET 196 Ca -0.07 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1aqy h MET 196 Cb 1.60 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.27 1aqy h MET 196 CO 0.15 0.66 -0.14 0.87 1.06 0.00 0.00 176.91 179.52 1aqy h LYS 197 N 0.20 0.25 0.00 1.72 1.79 -1.31 -3.09 116.57 116.13 1aqy h LYS 197 Ca 0.01 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1aqy h LYS 197 Cb 0.90 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1aqy h LYS 197 CO 0.07 0.73 -0.61 0.93 -1.08 0.00 0.00 179.45 179.49 1aqy h GLU 198 N -0.21 0.00 -0.61 3.15 4.39 -1.34 -3.41 114.58 116.55 1aqy h GLU 198 Ca 0.01 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.39 1aqy h GLU 198 Cb 0.71 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.13 1aqy h GLU 198 CO 0.03 0.00 -0.68 -3.47 -1.16 0.00 0.00 179.01 173.74 1aqy n ASP 199 N -2.34 -1.60 -0.29 1.42 2.03 -0.11 -5.02 116.55 110.64 1aqy n ASP 199 Ca 0.03 -3.35 0.01 0.00 0.52 0.00 0.00 54.79 52.00 1aqy n ASP 199 Cb 0.47 1.13 0.14 0.00 -0.72 0.00 0.00 41.12 42.14 1aqy n ASP 199 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1aqy h ILE 200 N 2.50 0.97 -0.84 5.18 6.09 -1.66 -2.84 117.51 126.91 1aqy h ILE 200 Ca -0.06 -0.29 0.04 0.00 -1.37 0.00 0.00 64.86 63.19 1aqy h ILE 200 Cb 1.03 0.06 -0.05 0.00 0.47 0.00 0.00 36.82 38.32 1aqy h ILE 200 CO 0.29 0.15 0.53 -0.09 -3.07 0.00 0.00 178.15 175.97 1aqy h ARG 201 N 0.85 0.98 -0.33 2.19 2.43 -1.93 -1.59 114.38 116.97 1aqy h ARG 201 Ca 0.37 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1aqy h ARG 201 Cb 0.25 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1aqy h ARG 201 CO -0.20 0.65 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.78 1aqy h ARG 202 N 1.01 0.61 -0.42 0.20 2.43 -1.90 -2.60 114.38 113.70 1aqy h ARG 202 Ca 0.35 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1aqy h ARG 202 Cb 0.08 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1aqy h ARG 202 CO -0.14 0.76 0.02 0.93 -1.51 0.00 0.00 179.97 180.03 1aqy h GLU 203 N 0.40 0.67 -0.31 0.20 4.39 -1.34 -2.07 114.58 116.52 1aqy h GLU 203 Ca 0.09 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1aqy h GLU 203 Cb 0.50 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1aqy h GLU 203 CO 0.02 0.67 -0.23 0.28 -1.16 0.00 0.00 179.01 178.59 1aqy h VAL 204 N 0.64 1.30 -0.77 3.13 2.07 -1.24 -2.36 116.25 119.02 1aqy h VAL 204 Ca 0.13 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1aqy h VAL 204 Cb 0.36 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1aqy h VAL 204 CO 0.01 0.44 0.36 0.58 0.02 0.00 0.00 177.57 178.98 1aqy h VAL 205 N 0.45 1.24 -0.74 2.57 2.07 -1.34 -1.30 116.25 119.20 1aqy h VAL 205 Ca 0.06 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1aqy h VAL 205 Cb 0.79 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1aqy h VAL 205 CO 0.06 0.30 0.35 0.50 0.02 0.00 0.00 177.57 178.80 1aqy h LYS 206 N 1.10 1.07 -0.40 1.57 3.64 -1.28 -2.33 116.57 119.94 1aqy h LYS 206 Ca 0.26 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 1aqy h LYS 206 Cb 0.13 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1aqy h LYS 206 CO -0.03 0.84 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.65 1aqy h LEU 207 N 1.04 0.93 -0.86 5.20 3.38 -1.01 -1.79 115.31 122.21 1aqy h LEU 207 Ca 0.25 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1aqy h LEU 207 Cb 0.12 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1aqy h LEU 207 CO -0.03 1.16 0.57 0.40 0.09 0.00 0.00 178.44 180.63 1aqy h ILE 208 N 0.70 1.22 -0.24 1.22 2.04 -1.09 -1.97 117.51 119.39 1aqy h ILE 208 Ca 0.08 -0.41 -0.17 0.00 1.00 0.00 0.00 64.86 65.36 1aqy h ILE 208 Cb 0.85 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1aqy h ILE 208 CO 0.07 0.22 -0.54 -0.33 0.00 0.00 0.00 178.15 177.57 1aqy h GLU 209 N 1.17 0.72 -0.26 2.37 5.08 -1.34 -1.55 114.58 120.77 1aqy h GLU 209 Ca 0.31 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1aqy h GLU 209 Cb -0.13 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1aqy h GLU 209 CO -0.07 1.08 -0.03 0.35 -1.00 0.00 0.00 179.01 179.34 1aqy h PHE 210 N 0.56 0.41 -0.30 4.33 3.57 -1.05 -1.27 116.94 123.19 1aqy h PHE 210 Ca 0.01 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1aqy h PHE 210 Cb 1.12 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1aqy h PHE 210 CO 0.06 0.44 0.00 1.28 -2.23 0.00 0.00 178.31 177.86 1aqy n LEU 211 N -4.30 2.61 -3.69 0.59 4.77 -0.77 -4.93 117.00 111.28 1aqy n LEU 211 Ca 0.01 -1.31 -0.23 0.00 -0.03 0.00 0.00 56.01 54.44 1aqy n LEU 211 Cb 0.23 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1aqy n LEU 211 CO 0.38 0.44 -0.08 -0.62 -1.33 0.00 0.00 177.39 176.18 1aqy n GLU 212 N 0.39 -3.91 -4.38 3.23 1.02 -0.48 -5.02 120.64 111.49 1aqy n GLU 212 Ca 0.12 0.59 -0.19 0.00 -0.02 0.00 0.00 57.16 57.66 1aqy n GLU 212 Cb 0.51 -4.98 -0.10 0.00 -0.02 0.00 0.00 31.44 26.85 1aqy n GLU 212 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1aqy s ARG 213 N -5.91 1.45 -0.30 3.49 0.52 -0.59 -5.03 118.95 112.57 1aqy s ARG 213 Ca 0.12 -1.74 -0.22 0.00 -0.52 0.00 0.00 55.73 53.36 1aqy s ARG 213 Cb -0.03 -0.82 -0.00 0.00 0.52 0.00 0.00 34.95 34.61 1aqy s ARG 213 CO 0.82 -0.07 0.74 0.21 0.02 0.00 0.00 175.30 177.02 1aqy s LYS 214 N -3.82 3.97 -0.06 3.54 2.20 -1.26 -4.29 119.74 120.01 1aqy s LYS 214 Ca 0.30 0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 56.13 1aqy s LYS 214 Cb 0.05 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1aqy s LYS 214 CO 0.11 -0.62 1.05 -1.25 -0.36 0.00 0.00 175.35 174.27 1aqy s PRO 215 N 2.82 4.44 0.13 4.03 0.04 -1.26 -5.02 135.00 140.18 1aqy s PRO 215 Ca 0.30 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.85 1aqy s PRO 215 Cb -0.14 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 1aqy s PRO 215 CO 0.12 -0.28 -0.08 -1.54 0.04 0.00 0.00 177.00 175.26 1aqy s SER 216 N 1.15 1.50 0.17 6.66 1.04 -1.26 -5.06 113.70 117.90 1aqy s SER 216 Ca 0.51 -1.03 -0.20 0.00 0.48 0.00 0.00 55.95 55.71 1aqy s SER 216 Cb -0.21 0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.04 1aqy s SER 216 CO 0.22 -0.40 1.62 0.00 0.98 0.00 0.00 173.24 175.65 1aqy h ALA 217 N 2.84 -0.01 -0.04 5.32 0.00 -2.00 -2.28 119.26 123.09 1aqy h ALA 217 Ca -0.36 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1aqy h ALA 217 Cb 1.18 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1aqy h ALA 217 CO 0.64 -0.63 0.03 1.05 0.00 0.00 0.00 179.25 180.34 1aqy h GLU 218 N -0.18 0.05 -0.34 0.00 -0.00 -1.99 -2.63 114.58 109.49 1aqy h GLU 218 Ca 0.19 -0.00 0.02 0.00 -0.00 0.00 0.00 59.36 59.57 1aqy h GLU 218 Cb 0.48 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 29.19 1aqy h GLU 218 CO -0.51 0.03 0.18 1.25 -0.00 0.00 0.00 179.01 179.96 1aqy h LEU 219 N 0.05 0.27 -0.54 3.06 5.85 -1.88 -1.65 115.31 120.48 1aqy h LEU 219 Ca 0.02 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1aqy h LEU 219 Cb -0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1aqy h LEU 219 CO -0.01 0.20 0.01 0.58 -0.34 0.00 0.00 178.44 178.88 1aqy h VAL 220 N 0.37 1.26 -0.34 1.05 2.07 -1.42 -2.94 116.25 116.29 1aqy h VAL 220 Ca 0.14 -1.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.43 1aqy h VAL 220 Cb 0.03 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1aqy h VAL 220 CO -0.09 0.39 -0.30 0.44 0.02 0.00 0.00 177.57 178.03 1aqy h ASP 221 N 0.82 0.75 -0.12 0.57 3.32 -1.32 -2.22 116.42 118.22 1aqy h ASP 221 Ca 0.15 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1aqy h ASP 221 Cb 0.53 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1aqy h ASP 221 CO 0.03 1.00 0.08 -0.09 -1.72 0.00 0.00 179.24 178.53 1aqy h ARG 222 N 0.61 0.16 -0.56 3.56 2.43 -1.26 -2.60 114.38 116.73 1aqy h ARG 222 Ca 0.07 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1aqy h ARG 222 Cb 0.82 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 1aqy h ARG 222 CO 0.07 0.13 0.28 0.82 -1.51 0.00 0.00 179.97 179.76 1aqy h ILE 223 N 0.15 1.20 -0.81 1.20 2.04 -1.48 -2.25 117.51 117.55 1aqy h ILE 223 Ca 0.04 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.43 1aqy h ILE 223 Cb 0.01 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 1aqy h ILE 223 CO -0.01 0.22 0.49 0.40 0.00 0.00 0.00 178.15 179.25 1aqy h ILE 224 N 0.75 1.01 0.00 -0.67 2.04 -1.21 -1.48 117.51 117.95 1aqy h ILE 224 Ca 0.19 -0.30 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 1aqy h ILE 224 Cb 0.10 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1aqy h ILE 224 CO -0.03 0.16 -0.75 0.06 0.00 0.00 0.00 178.15 177.59 1aqy h GLN 225 N 0.88 0.00 0.00 2.37 3.07 -1.31 -3.27 115.11 116.85 1aqy h GLN 225 Ca 0.36 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.01 1aqy h GLN 225 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 1aqy h GLN 225 CO -0.18 0.70 -0.45 1.25 0.09 0.00 0.00 178.83 180.24 1aqy h HIS 226 N 0.00 0.00 -0.60 0.06 2.76 -1.15 -3.34 115.15 112.89 1aqy h HIS 226 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1aqy h HIS 226 Cb 1.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.52 1aqy h HIS 226 CO 0.00 0.37 0.00 0.25 -1.30 0.00 0.00 177.93 177.25 1aqy n THR 227 N -3.16 1.74 -1.12 6.26 -2.24 -0.58 -4.40 114.28 110.78 1aqy n THR 227 Ca 0.02 -1.22 -0.31 0.00 -2.27 0.00 0.00 64.05 60.27 1aqy n THR 227 Cb 0.69 0.16 0.12 0.00 -2.10 0.00 0.00 70.33 69.20 1aqy n THR 227 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1aqy s SER 228 N -1.01 3.89 0.25 3.42 1.04 -1.23 -4.82 113.70 115.23 1aqy s SER 228 Ca 0.48 1.81 -0.06 0.00 0.48 0.00 0.00 55.95 58.66 1aqy s SER 228 Cb 0.31 -2.45 0.25 0.00 0.10 0.00 0.00 66.02 64.23 1aqy s SER 228 CO 0.23 -2.42 1.89 0.15 0.98 0.00 0.00 173.24 174.07 1aqy h PHE 229 N -1.40 1.23 -0.12 5.02 3.57 -1.95 -2.17 116.94 121.12 1aqy h PHE 229 Ca -0.45 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1aqy h PHE 229 Cb 1.25 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1aqy h PHE 229 CO 0.52 0.82 0.05 1.96 -2.23 0.00 0.00 178.31 179.43 1aqy h GLN 230 N 1.28 0.19 -0.60 1.11 1.08 -1.98 -2.03 115.11 114.16 1aqy h GLN 230 Ca 0.33 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1aqy h GLN 230 Cb -0.05 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 1aqy h GLN 230 CO -0.06 0.29 0.37 0.93 -0.95 0.00 0.00 178.83 179.41 1aqy h GLU 231 N 0.04 0.81 0.00 1.46 4.39 -1.83 -2.83 114.58 116.62 1aqy h GLU 231 Ca 0.04 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1aqy h GLU 231 Cb 0.17 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1aqy h GLU 231 CO -0.00 0.57 -0.20 0.52 -1.16 0.00 0.00 179.01 178.73 1aqy h MET 232 N 0.81 0.00 0.00 2.33 2.86 -1.37 -2.70 114.93 116.86 1aqy h MET 232 Ca 0.22 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.76 1aqy h MET 232 Cb -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1aqy h MET 232 CO -0.04 0.20 -0.44 -0.22 1.06 0.00 0.00 176.91 177.46 1aqy h LYS 233 N 0.00 0.00 -0.34 1.72 3.64 -1.12 -3.16 116.57 117.31 1aqy h LYS 233 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1aqy h LYS 233 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1aqy h LYS 233 CO 0.03 0.44 0.00 0.09 -2.27 0.00 0.00 179.45 177.74 1aqy n ASN 234 N -3.47 3.11 -4.52 4.20 5.03 -1.12 -4.83 115.26 113.66 1aqy n ASN 234 Ca 0.00 -1.90 -0.42 0.00 0.87 0.00 0.00 54.58 53.13 1aqy n ASN 234 Cb 0.58 -0.22 -0.08 0.00 -1.02 0.00 0.00 39.78 39.03 1aqy n ASN 234 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1aqy s ASN 235 N -1.22 6.23 0.63 6.41 3.04 -1.04 -4.95 114.94 124.05 1aqy s ASN 235 Ca 0.31 -0.41 0.37 0.00 0.04 0.00 0.00 52.86 53.18 1aqy s ASN 235 Cb 0.18 -2.24 2.13 0.00 -1.54 0.00 0.00 41.25 39.78 1aqy s ASN 235 CO 0.25 -0.52 2.31 1.55 -3.04 0.00 0.00 177.10 177.65 1aqy h PRO 236 N 8.63 0.00 0.00 0.43 0.13 -1.89 -0.65 132.00 138.64 1aqy h PRO 236 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.72 1aqy h PRO 236 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1aqy h PRO 236 CO 0.78 0.00 -0.63 1.03 -0.23 0.00 0.00 178.00 178.94 1aqy h SER 237 N 0.00 0.00 0.00 1.44 0.87 -1.91 -3.36 113.55 110.59 1aqy h SER 237 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1aqy h SER 237 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1aqy h SER 237 CO -0.00 0.63 -0.75 0.35 -0.53 0.00 0.00 176.83 176.54 1aqy n THR 238 N -3.61 0.00 1.07 2.23 -2.24 -0.74 -2.09 114.28 108.89 1aqy n THR 238 Ca -0.00 -0.26 0.08 0.00 -2.27 0.00 0.00 64.05 61.59 1aqy n THR 238 Cb 0.67 0.77 0.26 0.00 -2.10 0.00 0.00 70.33 69.93 1aqy n THR 238 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1aqy n ASN 239 N -1.41 1.73 -1.61 3.42 2.04 -0.33 -4.95 115.26 114.16 1aqy n ASN 239 Ca 0.01 -1.85 -0.17 0.00 -0.44 0.00 0.00 54.58 52.12 1aqy n ASN 239 Cb 0.17 -0.17 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 1aqy n ASN 239 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1aqy n TYR 240 N 0.40 -0.40 1.34 -2.53 4.02 -1.26 -4.66 117.16 114.07 1aqy n TYR 240 Ca 0.14 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.17 1aqy n TYR 240 Cb 0.30 -3.16 0.58 0.00 -0.02 0.00 0.00 39.34 37.05 1aqy n TYR 240 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1aqy n THR 241 N -3.26 0.00 1.21 -0.72 -2.24 -1.26 -3.07 114.28 104.94 1aqy n THR 241 Ca -0.19 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.62 1aqy n THR 241 Cb 0.60 -0.11 0.28 0.00 -2.10 0.00 0.00 70.33 69.01 1aqy n THR 241 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1aqy n MET 242 N -1.05 1.66 -4.25 -0.78 2.81 -1.26 -4.75 117.12 109.49 1aqy n MET 242 Ca 0.13 -1.00 -0.34 0.00 -1.81 0.00 0.00 57.70 54.68 1aqy n MET 242 Cb 0.29 -1.32 -0.15 0.00 -0.71 0.00 0.00 33.22 31.33 1aqy n MET 242 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1aqy s MET 243 N -1.72 3.24 0.14 0.03 0.00 -1.18 -5.10 119.30 114.72 1aqy s MET 243 Ca 0.27 -0.72 -0.32 0.00 0.00 0.00 0.00 55.69 54.92 1aqy s MET 243 Cb 0.14 -2.74 -0.18 0.00 0.00 0.00 0.00 34.83 32.05 1aqy s MET 243 CO 0.20 -0.09 0.70 -2.30 0.00 0.00 0.00 175.02 173.54 1aqy n PRO 244 N 4.38 0.05 0.20 4.11 -0.02 -1.26 -4.74 135.00 137.72 1aqy n PRO 244 Ca -0.19 0.02 0.15 0.00 -2.02 0.00 0.00 63.50 61.45 1aqy n PRO 244 Cb 0.51 -1.18 0.60 0.00 -0.02 0.00 0.00 33.50 33.41 1aqy n PRO 244 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1aqy h GLU 245 N 1.65 0.00 0.00 -0.52 4.81 -1.95 -1.52 114.58 117.05 1aqy h GLU 245 Ca -0.35 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.84 1aqy h GLU 245 Cb 1.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1aqy h GLU 245 CO 0.60 0.00 -0.19 0.93 -0.73 0.00 0.00 179.01 179.62 1aqy h GLU 246 N 0.00 0.00 0.00 1.92 3.07 -2.00 -3.29 114.58 114.28 1aqy h GLU 246 Ca 0.00 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.46 1aqy h GLU 246 Cb 0.42 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.27 1aqy h GLU 246 CO 0.00 0.19 -2.36 -1.33 -1.40 0.00 0.00 179.01 174.11 1aqy n MET 247 N -3.54 0.54 -3.95 2.33 2.81 -0.86 -4.73 117.12 109.71 1aqy n MET 247 Ca -0.01 0.20 -0.31 0.00 -1.81 0.00 0.00 57.70 55.78 1aqy n MET 247 Cb 0.34 -1.40 -0.15 0.00 -0.71 0.00 0.00 33.22 31.30 1aqy n MET 247 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1aqy s MET 248 N -2.45 1.33 -0.80 0.03 -2.45 -0.63 -1.99 119.30 112.34 1aqy s MET 248 Ca -0.34 -1.60 -0.19 0.00 -1.25 0.00 0.00 55.69 52.31 1aqy s MET 248 Cb 0.12 -2.86 0.12 0.00 1.25 0.00 0.00 34.83 33.46 1aqy s MET 248 CO 0.46 -0.91 0.98 1.21 1.05 0.00 0.00 175.02 177.81 1aqy s ASN 249 N 1.12 6.46 0.00 1.11 3.84 -0.81 -4.10 114.94 122.55 1aqy s ASN 249 Ca 0.09 -1.77 0.22 0.00 0.21 0.00 0.00 52.86 51.61 1aqy s ASN 249 Cb -0.19 -2.37 1.32 0.00 -0.55 0.00 0.00 41.25 39.47 1aqy s ASN 249 CO -0.12 -1.11 1.71 0.00 -2.79 0.00 0.00 177.10 174.80 1aqy n GLN 250 N 6.50 0.67 0.10 0.43 6.02 -1.26 -1.99 117.38 127.86 1aqy n GLN 250 Ca 0.11 0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 57.08 1aqy n GLN 250 Cb 0.47 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.23 1aqy n GLN 250 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1aqy h LYS 251 N 0.00 0.00 -0.03 -1.09 1.57 -1.98 -3.18 116.57 111.86 1aqy h LYS 251 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1aqy h LYS 251 Cb 0.01 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.34 1aqy h LYS 251 CO 0.00 0.76 -0.75 0.28 -0.57 0.00 0.00 179.45 179.17 1aqy h VAL 252 N 0.00 1.35 -1.71 0.50 2.07 -1.79 -3.46 116.25 113.21 1aqy h VAL 252 Ca -0.01 -2.09 0.08 0.00 0.82 0.00 0.00 66.70 65.50 1aqy h VAL 252 Cb 1.50 2.41 -0.24 0.00 -1.52 0.00 0.00 31.29 33.44 1aqy h VAL 252 CO 0.10 0.63 0.18 -0.55 0.02 0.00 0.00 177.57 177.95 1aqy s SER 253 N -6.95 -0.74 0.51 0.57 0.15 -1.20 -4.99 113.70 101.04 1aqy s SER 253 Ca -0.12 1.16 -0.20 0.00 0.70 0.00 0.00 55.95 57.49 1aqy s SER 253 Cb 0.05 1.41 -0.07 0.00 -1.71 0.00 0.00 66.02 65.70 1aqy s SER 253 CO 0.86 -0.18 1.07 -2.16 1.20 0.00 0.00 173.24 174.03 1aqy s PRO 254 N 1.68 3.63 0.05 5.44 0.04 -1.20 -4.20 135.00 140.44 1aqy s PRO 254 Ca -0.09 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.17 1aqy s PRO 254 Cb -0.05 -2.06 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 1aqy s PRO 254 CO -0.17 -0.58 1.48 0.35 0.04 0.00 0.00 177.00 178.11 1aqy h PHE 255 N 1.38 0.23 -2.31 0.56 3.57 -1.90 -3.28 116.94 115.20 1aqy h PHE 255 Ca -0.49 -0.04 -0.71 0.00 3.53 0.00 0.00 57.97 60.26 1aqy h PHE 255 Cb 1.23 -0.06 -0.18 0.00 2.79 0.00 0.00 35.95 39.74 1aqy h PHE 255 CO 0.55 0.45 1.03 -1.64 -2.23 0.00 0.00 178.31 176.48 1aqy s MET 256 N -4.99 3.79 0.00 1.11 -1.94 -1.26 -4.88 119.30 111.13 1aqy s MET 256 Ca -0.14 -2.07 0.00 0.00 -1.71 0.00 0.00 55.69 51.77 1aqy s MET 256 Cb 0.05 -4.98 0.00 0.00 2.01 0.00 0.00 34.83 31.92 1aqy s MET 256 CO 0.71 -1.77 0.10 -2.13 -0.01 0.00 0.00 175.02 171.91 1aqy n ARG 257 N 6.22 0.00 0.00 2.03 0.63 -1.24 -4.95 116.66 119.35 1aqy n ARG 257 Ca 0.29 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 1aqy n ARG 257 Cb 0.47 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.59 1aqy n ARG 257 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1aqy n LYS 258 N -1.17 0.00 -2.64 -0.14 5.02 -1.26 -5.05 118.16 112.92 1aqy n LYS 258 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1aqy n LYS 258 Cb 0.00 -0.68 0.02 0.00 -0.02 0.00 0.00 35.03 34.35 1aqy n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aqy n GLY 259 N 2.93 0.05 3.68 0.72 0.00 -1.26 -5.04 105.19 106.26 1aqy n GLY 259 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1aqy n GLY 259 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aqy s ILE 260 N -2.86 1.16 -0.13 -0.61 -4.36 -1.26 -5.05 121.20 108.09 1aqy s ILE 260 Ca 0.15 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.51 1aqy s ILE 260 Cb -0.07 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 1aqy s ILE 260 CO 0.19 0.00 0.01 -0.63 0.24 0.00 0.00 174.94 174.75 1aqy s ILE 261 N -2.94 4.36 0.00 8.37 1.01 -1.26 -4.66 121.20 126.07 1aqy s ILE 261 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1aqy s ILE 261 Cb 0.03 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1aqy s ILE 261 CO 0.08 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1aqy n GLY 262 N 2.87 0.91 0.06 6.18 0.00 -1.26 -4.97 105.19 108.98 1aqy n GLY 262 Ca -0.18 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.91 1aqy n GLY 262 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1aqy n ASP 263 N 0.01 0.27 0.29 1.61 2.03 -1.26 -2.14 116.55 117.36 1aqy n ASP 263 Ca 0.00 0.59 0.15 0.00 0.52 0.00 0.00 54.79 56.05 1aqy n ASP 263 Cb 0.00 -0.64 0.89 0.00 -0.72 0.00 0.00 41.12 40.65 1aqy n ASP 263 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1aqy h TRP 264 N 0.00 0.00 0.00 -0.67 5.08 -1.93 -1.87 115.95 116.55 1aqy h TRP 264 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1aqy h TRP 264 Cb 0.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.31 1aqy h TRP 264 CO 0.00 0.03 0.00 0.87 -1.28 0.00 0.00 178.44 178.06 1aqy h LYS 265 N 0.00 0.00 -0.20 0.12 1.57 -1.79 -1.62 116.57 114.65 1aqy h LYS 265 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aqy h LYS 265 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1aqy h LYS 265 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 1aqy n ASN 266 N -3.08 2.95 0.00 0.86 3.02 -0.70 -4.63 115.26 113.67 1aqy n ASN 266 Ca -0.01 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 1aqy n ASN 266 Cb 0.22 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1aqy n ASN 266 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1aqy n HIS 267 N 1.22 0.00 -2.77 3.10 8.25 -0.89 -5.06 115.22 119.06 1aqy n HIS 267 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 1aqy n HIS 267 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 1aqy n HIS 267 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1aqy s PHE 268 N -1.52 3.17 0.76 4.41 0.40 -0.66 -4.97 117.98 119.57 1aqy s PHE 268 Ca 0.00 1.02 -0.11 0.00 -0.60 0.00 0.00 56.93 57.24 1aqy s PHE 268 Cb 0.00 -3.49 0.05 0.00 0.51 0.00 0.00 43.02 40.09 1aqy s PHE 268 CO 0.00 -0.68 1.10 -2.14 0.70 0.00 0.00 175.22 174.19 1aqy s PRO 269 N 3.35 2.32 0.19 0.24 0.02 -1.26 -4.79 135.00 135.08 1aqy s PRO 269 Ca 0.40 1.21 -0.18 0.00 0.02 0.00 0.00 61.00 62.44 1aqy s PRO 269 Cb -0.13 -1.90 0.16 0.00 0.02 0.00 0.00 34.50 32.64 1aqy s PRO 269 CO 0.14 -1.60 1.60 0.93 -0.33 0.00 0.00 177.00 177.74 1aqy h GLU 270 N -0.96 -0.12 -0.90 5.54 5.08 -2.00 -2.09 114.58 119.13 1aqy h GLU 270 Ca -0.44 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1aqy h GLU 270 Cb 1.23 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1aqy h GLU 270 CO 0.52 -0.08 0.55 0.00 -1.00 0.00 0.00 179.01 178.99 1aqy h ALA 271 N 1.18 1.15 -0.43 3.43 0.00 -2.01 -2.96 119.26 119.62 1aqy h ALA 271 Ca 0.25 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1aqy h ALA 271 Cb 0.52 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1aqy h ALA 271 CO -0.65 0.60 -0.29 1.25 0.00 0.00 0.00 179.25 180.17 1aqy h LEU 272 N 1.24 0.97 -0.76 0.00 5.85 -1.80 -3.07 115.31 117.73 1aqy h LEU 272 Ca 0.32 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1aqy h LEU 272 Cb -0.06 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.66 1aqy h LEU 272 CO -0.06 1.18 0.50 -0.09 -0.34 0.00 0.00 178.44 179.63 1aqy h ARG 273 N 0.78 0.99 -0.69 1.25 2.43 -1.24 -1.20 114.38 116.70 1aqy h ARG 273 Ca 0.09 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1aqy h ARG 273 Cb 0.86 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1aqy h ARG 273 CO 0.08 0.65 0.18 1.49 -1.51 0.00 0.00 179.97 180.86 1aqy h GLU 274 N 1.02 1.08 -0.34 0.20 4.81 -1.51 -1.13 114.58 118.70 1aqy h GLU 274 Ca 0.29 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1aqy h GLU 274 Cb -0.09 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1aqy h GLU 274 CO -0.07 0.94 -0.10 0.00 -0.73 0.00 0.00 179.01 179.05 1aqy h ARG 275 N 1.03 0.67 0.24 1.92 3.08 -1.38 -2.24 114.38 117.70 1aqy h ARG 275 Ca 0.22 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1aqy h ARG 275 Cb 0.34 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1aqy h ARG 275 CO -0.00 0.85 -0.12 0.35 -1.07 0.00 0.00 179.97 179.98 1aqy h PHE 276 N 0.46 -0.30 -0.42 3.04 3.57 -1.03 -1.71 116.94 120.54 1aqy h PHE 276 Ca 0.08 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1aqy h PHE 276 Cb 0.61 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1aqy h PHE 276 CO 0.05 -0.14 0.25 -0.44 -2.23 0.00 0.00 178.31 175.80 1aqy h ASP 277 N -0.39 0.50 -0.29 0.41 3.32 -1.24 0.31 116.42 119.05 1aqy h ASP 277 Ca -0.03 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 1aqy h ASP 277 Cb 0.29 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1aqy h ASP 277 CO 0.05 0.39 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.54 1aqy h GLU 278 N 0.58 0.57 -0.73 3.56 4.39 -1.24 -2.41 114.58 119.29 1aqy h GLU 278 Ca 0.15 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1aqy h GLU 278 Cb -0.02 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1aqy h GLU 278 CO -0.03 0.78 0.34 1.25 -1.16 0.00 0.00 179.01 180.20 1aqy h HIS 279 N 0.32 1.06 -0.62 4.33 2.76 -0.64 -2.65 115.15 119.71 1aqy h HIS 279 Ca 0.07 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.22 1aqy h HIS 279 Cb 0.58 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 29.17 1aqy h HIS 279 CO 0.05 0.79 0.36 -0.92 -1.30 0.00 0.00 177.93 176.91 1aqy h TYR 280 N 1.03 0.66 -0.29 5.26 5.03 -0.86 -2.43 116.97 125.38 1aqy h TYR 280 Ca 0.25 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.64 1aqy h TYR 280 Cb 0.13 -0.21 -0.06 0.00 1.55 0.00 0.00 36.73 38.14 1aqy h TYR 280 CO 0.01 0.35 -0.13 -0.22 -1.32 0.00 0.00 178.16 176.85 1aqy h LYS 281 N 0.69 -0.08 -0.83 1.82 3.11 -1.07 0.18 116.57 120.39 1aqy h LYS 281 Ca 0.26 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 1aqy h LYS 281 Cb 0.09 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.30 1aqy h LYS 281 CO -0.14 -0.05 0.53 1.96 -2.81 0.00 0.00 179.45 178.94 1aqy h GLN 282 N -0.08 1.10 -0.17 1.90 1.08 -1.37 -1.36 115.11 116.20 1aqy h GLN 282 Ca 0.15 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 1aqy h GLN 282 Cb 0.31 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1aqy h GLN 282 CO -0.34 0.74 -0.21 1.96 -0.95 0.00 0.00 178.83 180.02 1aqy h GLN 283 N 1.12 0.44 -0.58 1.46 1.08 -0.96 -3.30 115.11 114.38 1aqy h GLN 283 Ca 0.30 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1aqy h GLN 283 Cb -0.10 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1aqy h GLN 283 CO -0.06 0.83 0.00 -1.33 -0.95 0.00 0.00 178.83 177.32 1aqy n MET 284 N -4.46 2.51 -0.20 1.46 2.81 0.00 -4.69 117.12 114.55 1aqy n MET 284 Ca -0.06 -2.07 -0.05 0.00 -1.81 0.00 0.00 57.70 53.71 1aqy n MET 284 Cb 0.41 -1.52 -0.05 0.00 -0.71 0.00 0.00 33.22 31.36 1aqy n MET 284 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1aqy n LYS 285 N 1.07 -0.21 -0.76 0.03 5.02 -0.52 -2.10 118.16 120.69 1aqy n LYS 285 Ca 0.19 1.11 -0.02 0.00 -2.02 0.00 0.00 58.31 57.56 1aqy n LYS 285 Cb 0.53 -1.64 0.25 0.00 -0.02 0.00 0.00 35.03 34.15 1aqy n LYS 285 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1aqy n ASP 286 N -4.08 4.23 -4.70 4.39 8.00 -1.26 -4.92 116.55 118.21 1aqy n ASP 286 Ca 0.01 -2.87 -0.36 0.00 0.71 0.00 0.00 54.79 52.28 1aqy n ASP 286 Cb 0.12 -0.68 -0.08 0.00 -0.02 0.00 0.00 41.12 40.46 1aqy n ASP 286 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aqy n THR 288 N 3.89 0.00 -1.60 0.00 -2.24 -1.26 -4.94 114.28 108.13 1aqy n THR 288 Ca -0.14 -0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.12 1aqy n THR 288 Cb 0.52 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 1aqy n THR 288 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1aqy n VAL 289 N -0.82 1.64 -3.57 2.28 3.14 -1.26 -4.96 118.33 114.79 1aqy n VAL 289 Ca 0.19 -0.41 -0.41 0.00 -2.96 0.00 0.00 64.34 60.76 1aqy n VAL 289 Cb 0.21 -1.05 -0.08 0.00 -1.06 0.00 0.00 33.84 31.86 1aqy n VAL 289 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1aqy s LYS 290 N -1.19 2.65 0.54 1.45 2.20 -1.26 -5.09 119.74 119.05 1aqy s LYS 290 Ca 0.63 -2.07 -0.14 0.00 -0.36 0.00 0.00 55.97 54.03 1aqy s LYS 290 Cb -0.72 -3.94 -0.06 0.00 -1.51 0.00 0.00 37.83 31.59 1aqy s LYS 290 CO 0.57 -1.20 0.98 -0.06 -0.36 0.00 0.00 175.35 175.29 1aqy s PHE 291 N 0.81 3.52 0.30 4.03 0.08 -1.26 -5.04 117.98 120.42 1aqy s PHE 291 Ca 0.11 1.37 -0.28 0.00 0.12 0.00 0.00 56.93 58.24 1aqy s PHE 291 Cb -0.22 -2.74 -0.09 0.00 -0.57 0.00 0.00 43.02 39.40 1aqy s PHE 291 CO -0.03 -0.46 0.99 0.50 -0.10 0.00 0.00 175.22 176.12 1aqy s ARG 292 N -4.46 4.63 0.00 0.44 3.52 -1.26 -5.20 118.95 116.62 1aqy s ARG 292 Ca 0.57 1.50 0.15 0.00 -0.13 0.00 0.00 55.73 57.83 1aqy s ARG 292 Cb -0.10 -3.00 0.91 0.00 -1.56 0.00 0.00 34.95 31.20 1aqy s ARG 292 CO 0.39 0.29 1.33 -0.12 -0.81 0.00 0.00 175.30 176.38